#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pou s HIS 4 N 0.00 1.97 0.68 1.57 5.04 -1.26 -4.97 115.29 118.33 2pou s HIS 4 Ca 0.00 1.60 -0.15 0.00 -1.54 0.00 0.00 55.06 54.97 2pou s HIS 4 Cb 0.00 -3.52 0.01 0.00 0.04 0.00 0.00 32.58 29.11 2pou s HIS 4 CO 0.00 -2.75 1.15 1.67 -2.34 0.00 0.00 174.74 172.47 2pou s TRP 5 N -1.92 2.38 0.00 3.88 1.48 -1.26 -4.88 118.94 118.62 2pou s TRP 5 Ca 0.76 1.57 0.00 0.00 -1.06 0.00 0.00 56.10 57.37 2pou s TRP 5 Cb -0.31 -3.31 0.00 0.00 -1.16 0.00 0.00 33.47 28.69 2pou s TRP 5 CO 0.46 -2.08 0.00 0.41 -4.06 0.00 0.00 176.95 171.68 2pou n GLY 6 N -0.06 2.92 0.06 3.67 0.00 -0.05 -5.03 105.19 106.70 2pou n GLY 6 Ca 0.12 -0.35 0.03 0.00 0.00 0.00 0.00 46.02 45.81 2pou n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2pou n TYR 7 N 0.00 0.00 -2.03 1.61 4.02 -1.26 -3.85 117.16 115.65 2pou n TYR 7 Ca 0.00 -0.51 -0.29 0.00 -0.01 0.00 0.00 57.90 57.09 2pou n TYR 7 Cb 0.00 -0.07 0.17 0.00 -0.02 0.00 0.00 39.34 39.43 2pou n TYR 7 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 2pou s GLY 8 N -1.33 1.78 0.39 2.72 0.00 -1.26 -4.60 107.32 105.02 2pou s GLY 8 Ca 0.08 -1.28 0.06 0.00 0.00 0.00 0.00 44.72 43.58 2pou s GLY 8 CO 0.01 -0.54 2.03 0.50 0.00 0.00 0.00 173.10 175.10 2pou h LYS 9 N -1.48 0.61 -0.01 2.90 1.57 -1.97 0.35 116.57 118.54 2pou h LYS 9 Ca -0.43 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2pou h LYS 9 Cb 1.24 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2pou h LYS 9 CO 0.38 0.43 -0.42 0.72 -0.57 0.00 0.00 179.45 179.99 2pou n HIS 10 N -4.45 0.00 -1.06 -1.35 8.25 -1.26 -4.51 115.22 110.85 2pou n HIS 10 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2pou n HIS 10 Cb 0.07 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.19 2pou n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2pou n ASN 11 N -0.22 0.35 -2.98 0.41 6.94 -1.16 -4.94 115.26 113.67 2pou n ASN 11 Ca 0.07 -1.40 -0.15 0.00 -0.02 0.00 0.00 54.58 53.08 2pou n ASN 11 Cb 0.37 -0.05 0.11 0.00 -2.36 0.00 0.00 39.78 37.84 2pou n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2pou n GLY 12 N -0.12 -1.87 0.43 4.83 0.00 0.12 -0.87 105.19 107.71 2pou n GLY 12 Ca 0.01 -1.60 0.31 0.00 0.00 0.00 0.00 46.02 44.74 2pou n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2pou h PRO 13 N 0.00 0.19 0.00 1.61 0.11 -1.84 0.24 132.00 132.31 2pou h PRO 13 Ca -0.21 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2pou h PRO 13 Cb 0.60 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.67 2pou h PRO 13 CO 0.14 0.12 0.00 0.39 -0.21 0.00 0.00 178.00 178.45 2pou n GLU 14 N -4.75 0.09 -0.02 1.05 -0.58 -1.26 -3.07 120.64 112.10 2pou n GLU 14 Ca 0.33 0.14 0.06 0.00 -0.42 0.00 0.00 57.16 57.27 2pou n GLU 14 Cb 1.22 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 30.47 2pou n GLU 14 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2pou n HIS 15 N -1.43 0.00 -0.25 -0.32 8.25 0.83 -4.65 115.22 117.64 2pou n HIS 15 Ca 0.06 0.00 0.23 0.00 -0.26 0.00 0.00 57.72 57.75 2pou n HIS 15 Cb 0.21 -0.43 0.56 0.00 1.12 0.00 0.00 29.99 31.46 2pou n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 2pou h TRP 16 N 0.00 0.43 -0.01 4.41 6.55 -1.44 -2.31 115.95 123.59 2pou h TRP 16 Ca -0.06 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.80 2pou h TRP 16 Cb 0.92 -0.13 -0.00 0.00 -0.86 0.00 0.00 29.16 29.09 2pou h TRP 16 CO 0.00 0.09 0.03 1.12 -1.05 0.00 0.00 178.44 178.62 2pou h HIS 17 N 0.30 0.00 -0.04 0.49 2.07 -1.79 0.97 115.15 117.16 2pou h HIS 17 Ca 0.49 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 58.01 2pou h HIS 17 Cb 1.41 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.39 2pou h HIS 17 CO -0.00 0.00 -0.00 0.87 -3.07 0.00 0.00 177.93 175.73 2pou h LYS 18 N 0.00 0.06 0.00 5.12 1.57 -1.77 -2.26 116.57 119.29 2pou h LYS 18 Ca 0.01 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 2pou h LYS 18 Cb 0.06 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2pou h LYS 18 CO -0.00 0.37 -0.80 -0.44 -0.57 0.00 0.00 179.45 178.01 2pou h ASP 19 N -0.25 0.00 -2.76 0.86 3.32 -1.68 -3.40 116.42 112.51 2pou h ASP 19 Ca 0.01 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.46 2pou h ASP 19 Cb 0.35 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.50 2pou h ASP 19 CO 0.00 0.24 -0.80 -0.36 -1.72 0.00 0.00 179.24 176.60 2pou s PHE 20 N -3.15 2.11 0.53 4.55 0.08 0.31 -4.99 117.98 117.42 2pou s PHE 20 Ca 0.01 -2.71 0.32 0.00 0.12 0.00 0.00 56.93 54.68 2pou s PHE 20 Cb 0.08 -1.69 1.48 0.00 -0.57 0.00 0.00 43.02 42.32 2pou s PHE 20 CO 0.76 -0.72 1.85 -1.35 -0.10 0.00 0.00 175.22 175.66 2pou h PRO 21 N 5.68 0.04 0.00 0.24 0.11 -1.63 -0.03 132.00 136.40 2pou h PRO 21 Ca 0.19 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 2pou h PRO 21 Cb 0.85 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.96 2pou h PRO 21 CO 0.51 0.02 0.00 1.51 -0.21 0.00 0.00 178.00 179.83 2pou n ILE 22 N -4.26 1.70 0.28 4.15 3.06 -1.26 -2.19 119.36 120.83 2pou n ILE 22 Ca 0.22 0.49 0.18 0.00 -2.50 0.00 0.00 62.75 61.14 2pou n ILE 22 Cb 1.06 -1.45 0.95 0.00 0.54 0.00 0.00 39.64 40.74 2pou n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2pou h ALA 23 N 2.08 1.44 -0.41 1.51 0.00 -1.32 0.37 119.26 122.93 2pou h ALA 23 Ca 0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2pou h ALA 23 Cb 0.05 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 2pou h ALA 23 CO 0.00 -0.21 0.06 1.63 0.00 0.00 0.00 179.25 180.72 2pou n LYS 24 N -3.35 2.82 -0.62 0.00 5.02 -0.93 -4.96 118.16 116.15 2pou n LYS 24 Ca -0.01 -3.00 -0.22 0.00 -2.02 0.00 0.00 58.31 53.06 2pou n LYS 24 Cb 0.26 -1.94 0.19 0.00 -0.02 0.00 0.00 35.03 33.52 2pou n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pou n GLY 25 N -0.60 -2.96 0.07 0.72 0.00 0.13 -4.98 105.19 97.56 2pou n GLY 25 Ca 0.30 -1.43 0.13 0.00 0.00 0.00 0.00 46.02 45.01 2pou n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2pou n GLU 26 N -4.11 0.22 -3.07 1.61 -0.58 -1.26 -4.34 120.64 109.10 2pou n GLU 26 Ca 0.11 0.12 -0.16 0.00 -0.42 0.00 0.00 57.16 56.80 2pou n GLU 26 Cb 0.43 -1.69 -0.02 0.00 -0.57 0.00 0.00 31.44 29.59 2pou n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2pou n ARG 27 N -2.04 1.01 -3.13 3.49 1.85 -1.26 -4.76 116.66 111.82 2pou n ARG 27 Ca 0.05 -3.34 -0.31 0.00 -1.00 0.00 0.00 57.85 53.25 2pou n ARG 27 Cb 0.41 -1.60 -0.05 0.00 -1.05 0.00 0.00 32.46 30.18 2pou n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2pou s GLN 28 N -2.56 3.85 0.19 2.89 -1.52 -1.26 -2.79 119.66 118.46 2pou s GLN 28 Ca 0.37 0.45 0.08 0.00 -1.95 0.00 0.00 55.36 54.32 2pou s GLN 28 Cb 0.37 -2.49 -0.04 0.00 -0.22 0.00 0.00 33.01 30.63 2pou s GLN 28 CO -0.05 0.14 -0.17 -1.12 -0.25 0.00 0.00 175.29 173.84 2pou s SER 29 N -2.65 2.72 0.98 5.90 0.01 -1.26 -4.66 113.70 114.74 2pou s SER 29 Ca 0.51 -0.94 -0.13 0.00 1.31 0.00 0.00 55.95 56.70 2pou s SER 29 Cb -0.10 -0.16 0.18 0.00 0.21 0.00 0.00 66.02 66.14 2pou s SER 29 CO 0.24 -0.09 1.04 -0.81 0.41 0.00 0.00 173.24 174.03 2pou n PRO 30 N -0.08 -0.98 -4.05 12.44 -0.04 -1.26 -4.49 135.00 136.54 2pou n PRO 30 Ca -0.10 -1.65 -0.09 0.00 -0.04 0.00 0.00 63.50 61.62 2pou n PRO 30 Cb 0.59 -1.06 -0.09 0.00 -0.04 0.00 0.00 33.50 32.90 2pou n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2pou s VAL 31 N -3.26 0.14 0.07 0.52 -7.23 -1.26 -0.17 120.40 109.21 2pou s VAL 31 Ca 0.59 -1.68 -0.25 0.00 -1.81 0.00 0.00 61.98 58.83 2pou s VAL 31 Cb -0.02 -1.72 -0.06 0.00 0.56 0.00 0.00 36.38 35.15 2pou s VAL 31 CO 0.41 -0.66 0.77 -0.62 -0.31 0.00 0.00 175.10 174.70 2pou s ASP 32 N -2.96 7.24 -0.45 4.85 3.68 -1.26 -3.18 116.67 124.59 2pou s ASP 32 Ca 0.14 1.48 -0.16 0.00 2.13 0.00 0.00 52.55 56.14 2pou s ASP 32 Cb 0.07 -2.47 0.05 0.00 -1.45 0.00 0.00 42.92 39.11 2pou s ASP 32 CO -0.05 0.05 0.40 -0.63 0.13 0.00 0.00 175.17 175.07 2pou s ILE 33 N -0.24 5.19 -0.63 4.11 1.01 0.13 -4.93 121.20 125.84 2pou s ILE 33 Ca 0.38 -0.79 -0.25 0.00 0.00 0.00 0.00 60.65 59.99 2pou s ILE 33 Cb -0.21 -4.08 0.04 0.00 0.01 0.00 0.00 42.46 38.23 2pou s ILE 33 CO 0.24 -0.50 1.06 -0.62 0.00 0.00 0.00 174.94 175.12 2pou s ASP 34 N 2.23 6.27 0.57 3.58 3.68 -1.26 -0.82 116.67 130.92 2pou s ASP 34 Ca 0.06 -0.48 0.28 0.00 2.13 0.00 0.00 52.55 54.55 2pou s ASP 34 Cb -0.21 -2.48 1.73 0.00 -1.45 0.00 0.00 42.92 40.51 2pou s ASP 34 CO 0.09 -1.47 2.22 0.71 0.13 0.00 0.00 175.17 176.85 2pou h THR 35 N 6.03 0.57 0.00 1.71 1.35 -1.95 -0.82 112.91 119.80 2pou h THR 35 Ca -0.27 -0.09 -0.17 0.00 -0.55 0.00 0.00 66.41 65.33 2pou h THR 35 Cb 1.06 1.06 -0.03 0.00 -1.73 0.00 0.00 68.15 68.52 2pou h THR 35 CO 1.17 0.02 -0.99 0.45 -0.25 0.00 0.00 175.52 175.92 2pou h HIS 36 N 0.00 0.00 0.00 4.73 3.86 -2.03 -3.32 115.15 118.39 2pou h HIS 36 Ca -0.00 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.04 2pou h HIS 36 Cb 0.06 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.50 2pou h HIS 36 CO 0.00 0.72 -1.29 1.15 0.86 0.00 0.00 177.93 179.37 2pou h THR 37 N 0.00 0.62 -3.08 2.45 2.02 -1.83 -3.46 112.91 109.63 2pou h THR 37 Ca -0.07 -2.13 -0.53 0.00 0.77 0.00 0.00 66.41 64.45 2pou h THR 37 Cb 1.61 2.14 0.08 0.00 -1.74 0.00 0.00 68.15 70.24 2pou h THR 37 CO 0.08 0.35 0.93 0.00 0.37 0.00 0.00 175.52 177.25 2pou n ALA 38 N -2.38 2.65 -2.85 6.16 0.00 -0.37 -4.89 120.51 118.84 2pou n ALA 38 Ca -0.08 0.38 -0.34 0.00 0.00 0.00 0.00 53.44 53.40 2pou n ALA 38 Cb 0.84 -2.49 -0.11 0.00 0.00 0.00 0.00 19.45 17.70 2pou n ALA 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2pou s LYS 39 N 0.04 3.62 0.22 0.00 2.20 -0.98 -4.81 119.74 120.02 2pou s LYS 39 Ca 0.68 -0.43 -0.31 0.00 -0.36 0.00 0.00 55.97 55.55 2pou s LYS 39 Cb -0.50 -2.99 -0.10 0.00 -1.51 0.00 0.00 37.83 32.72 2pou s LYS 39 CO 0.43 0.36 1.55 -0.47 -0.36 0.00 0.00 175.35 176.87 2pou s TYR 40 N 0.06 2.98 -0.32 4.03 6.14 -1.26 -1.02 117.35 127.96 2pou s TYR 40 Ca 0.02 0.74 0.01 0.00 0.64 0.00 0.00 57.07 58.48 2pou s TYR 40 Cb -0.13 -3.94 0.08 0.00 0.42 0.00 0.00 41.96 38.38 2pou s TYR 40 CO 0.02 -3.33 0.03 0.34 0.64 0.00 0.00 175.55 173.25 2pou s ASP 41 N 0.80 4.82 0.00 4.32 3.68 -0.28 -4.85 116.67 125.17 2pou s ASP 41 Ca 0.66 -1.68 0.17 0.00 2.13 0.00 0.00 52.55 53.83 2pou s ASP 41 Cb -0.45 -1.67 0.79 0.00 -1.45 0.00 0.00 42.92 40.14 2pou s ASP 41 CO 0.38 -0.33 1.51 -0.81 0.13 0.00 0.00 175.17 176.05 2pou n PRO 42 N 4.47 0.14 0.00 4.34 -0.04 -1.26 -2.25 135.00 140.40 2pou n PRO 42 Ca -0.07 0.17 0.15 0.00 -0.04 0.00 0.00 63.50 63.71 2pou n PRO 42 Cb 0.42 -1.50 0.69 0.00 -0.04 0.00 0.00 33.50 33.07 2pou n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2pou n SER 43 N -1.38 0.79 -4.69 3.54 3.41 -1.26 -4.81 113.62 109.22 2pou n SER 43 Ca 0.06 -1.17 -0.42 0.00 -0.26 0.00 0.00 58.87 57.09 2pou n SER 43 Cb 0.16 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.07 2pou n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2pou s LEU 44 N -2.08 4.26 0.58 1.04 1.43 -0.95 -5.00 118.68 117.96 2pou s LEU 44 Ca 0.40 1.39 -0.09 0.00 -1.03 0.00 0.00 54.13 54.79 2pou s LEU 44 Cb 0.21 -3.38 -0.04 0.00 0.03 0.00 0.00 46.19 43.02 2pou s LEU 44 CO 0.37 -0.33 0.96 -0.54 0.23 0.00 0.00 176.35 177.04 2pou s LYS 45 N 1.63 3.59 0.35 1.70 1.02 -1.08 -4.90 119.74 122.04 2pou s LYS 45 Ca 0.44 0.59 -0.28 0.00 0.02 0.00 0.00 55.97 56.74 2pou s LYS 45 Cb -0.18 -2.17 -0.12 0.00 -0.52 0.00 0.00 37.83 34.84 2pou s LYS 45 CO 0.18 -0.46 1.39 -2.30 -0.92 0.00 0.00 175.35 173.25 2pou n PRO 46 N -2.58 2.38 -2.54 -1.68 -0.02 -1.26 -0.86 135.00 128.44 2pou n PRO 46 Ca 0.04 0.84 -0.41 0.00 -2.02 0.00 0.00 63.50 61.95 2pou n PRO 46 Cb 0.54 -2.49 -0.04 0.00 -0.02 0.00 0.00 33.50 31.49 2pou n PRO 46 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2pou s LEU 47 N -1.38 4.53 -0.22 2.45 2.96 -1.26 -1.83 118.68 123.93 2pou s LEU 47 Ca 0.55 2.12 0.02 0.00 -0.22 0.00 0.00 54.13 56.60 2pou s LEU 47 Cb -0.53 -3.61 0.04 0.00 0.50 0.00 0.00 46.19 42.59 2pou s LEU 47 CO 0.62 -0.15 -0.12 -0.55 -1.32 0.00 0.00 176.35 174.82 2pou s SER 48 N -0.47 3.73 -0.30 3.68 0.15 0.94 -4.87 113.70 116.57 2pou s SER 48 Ca 0.47 -1.03 -0.03 0.00 0.70 0.00 0.00 55.95 56.06 2pou s SER 48 Cb -0.30 -1.40 0.04 0.00 -1.71 0.00 0.00 66.02 62.66 2pou s SER 48 CO 0.36 -0.13 0.02 -0.69 1.20 0.00 0.00 173.24 174.00 2pou s VAL 49 N 1.27 3.23 -0.51 4.45 1.01 -1.26 -1.35 120.40 127.24 2pou s VAL 49 Ca -0.03 -1.21 0.02 0.00 0.00 0.00 0.00 61.98 60.77 2pou s VAL 49 Cb -0.17 -2.80 0.13 0.00 0.00 0.00 0.00 36.38 33.54 2pou s VAL 49 CO -0.08 -0.06 0.26 -0.44 0.00 0.00 0.00 175.10 174.78 2pou s SER 50 N 1.32 4.59 0.00 3.32 0.01 -0.37 -4.91 113.70 117.66 2pou s SER 50 Ca -0.03 -2.83 0.16 0.00 1.31 0.00 0.00 55.95 54.56 2pou s SER 50 Cb -0.19 -1.69 0.33 0.00 0.21 0.00 0.00 66.02 64.69 2pou s SER 50 CO -0.00 -0.29 1.24 -1.22 0.41 0.00 0.00 173.24 173.38 2pou n TYR 51 N 3.39 0.44 -0.29 2.43 0.53 -1.26 -1.31 117.16 121.09 2pou n TYR 51 Ca 0.05 -0.33 0.18 0.00 -1.02 0.00 0.00 57.90 56.78 2pou n TYR 51 Cb 0.35 -0.01 0.46 0.00 -1.03 0.00 0.00 39.34 39.10 2pou n TYR 51 CO 0.00 0.00 0.00 0.38 -1.02 0.00 0.00 176.86 176.22 2pou h ASP 52 N 2.99 0.52 -0.57 7.72 2.03 -1.98 -1.63 116.42 125.49 2pou h ASP 52 Ca 0.00 0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.36 2pou h ASP 52 Cb 0.78 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.24 2pou h ASP 52 CO 0.00 0.19 0.00 0.00 -1.03 0.00 0.00 179.24 178.40 2pou n GLN 53 N -4.59 3.34 -1.71 4.15 1.13 -1.26 -5.00 117.38 113.43 2pou n GLN 53 Ca 0.21 -2.70 -0.43 0.00 -1.94 0.00 0.00 57.00 52.14 2pou n GLN 53 Cb 0.68 -1.72 -0.02 0.00 0.11 0.00 0.00 30.24 29.29 2pou n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2pou n ALA 54 N 0.95 1.73 -3.85 -1.58 0.00 -0.62 -4.55 120.51 112.59 2pou n ALA 54 Ca 0.23 0.38 -0.30 0.00 0.00 0.00 0.00 53.44 53.75 2pou n ALA 54 Cb 0.76 -2.34 -0.15 0.00 0.00 0.00 0.00 19.45 17.72 2pou n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2pou s THR 55 N -0.39 1.35 0.54 0.00 2.01 -1.26 -4.89 115.64 112.99 2pou s THR 55 Ca 0.62 -1.53 -0.18 0.00 0.31 0.00 0.00 61.69 60.92 2pou s THR 55 Cb -0.56 -1.90 -0.06 0.00 0.01 0.00 0.00 72.50 69.98 2pou s THR 55 CO 0.54 -0.49 1.03 -0.94 -0.69 0.00 0.00 174.62 174.07 2pou s SER 56 N 1.41 6.17 -0.08 3.53 1.04 -1.26 -0.49 113.70 124.02 2pou s SER 56 Ca 0.06 1.80 -0.02 0.00 0.48 0.00 0.00 55.95 58.27 2pou s SER 56 Cb -0.18 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.36 2pou s SER 56 CO -0.15 -0.90 -0.09 0.18 0.98 0.00 0.00 173.24 173.26 2pou n LEU 57 N -1.53 1.77 -3.79 2.42 4.77 0.57 -4.14 117.00 117.07 2pou n LEU 57 Ca 0.08 0.03 0.01 0.00 -0.03 0.00 0.00 56.01 56.10 2pou n LEU 57 Cb 0.53 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2pou n LEU 57 CO 0.44 0.40 1.02 0.00 -1.33 0.00 0.00 177.39 177.91 2pou s ARG 58 N -2.15 0.57 -0.02 3.23 1.70 -1.13 -1.73 118.95 119.42 2pou s ARG 58 Ca -0.11 -0.34 0.07 0.00 -0.47 0.00 0.00 55.73 54.88 2pou s ARG 58 Cb 0.04 0.18 -0.02 0.00 -0.57 0.00 0.00 34.95 34.57 2pou s ARG 58 CO 0.16 -0.27 -0.24 -1.50 -1.08 0.00 0.00 175.30 172.37 2pou s ILE 59 N -2.32 1.90 -0.01 4.99 2.07 -0.54 -0.70 121.20 126.59 2pou s ILE 59 Ca 0.20 -1.04 0.02 0.00 -1.41 0.00 0.00 60.65 58.42 2pou s ILE 59 Cb 0.02 -1.58 0.00 0.00 0.13 0.00 0.00 42.46 41.03 2pou s ILE 59 CO -0.01 0.53 -0.06 -0.22 -1.91 0.00 0.00 174.94 173.26 2pou s LEU 60 N -0.59 1.88 -0.46 8.50 2.96 0.07 -1.34 118.68 129.69 2pou s LEU 60 Ca 0.09 -0.12 -0.20 0.00 -0.22 0.00 0.00 54.13 53.68 2pou s LEU 60 Cb -0.09 -0.37 0.03 0.00 0.50 0.00 0.00 46.19 46.26 2pou s LEU 60 CO -0.01 0.06 0.60 0.21 -1.32 0.00 0.00 176.35 175.89 2pou s ASN 61 N 0.05 6.26 0.00 3.68 3.84 -0.39 -0.32 114.94 128.07 2pou s ASN 61 Ca -0.00 -0.59 0.14 0.00 0.21 0.00 0.00 52.86 52.62 2pou s ASN 61 Cb -0.05 -2.29 0.41 0.00 -0.55 0.00 0.00 41.25 38.77 2pou s ASN 61 CO -0.00 -0.78 1.34 -0.46 -2.79 0.00 0.00 177.10 174.41 2pou n ASN 62 N 6.11 2.29 0.00 -4.21 0.23 -0.64 -0.85 115.26 118.20 2pou n ASN 62 Ca -0.04 -1.98 0.00 0.00 -0.53 0.00 0.00 54.58 52.03 2pou n ASN 62 Cb 0.47 -0.27 0.00 0.00 -2.08 0.00 0.00 39.78 37.90 2pou n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2pou n GLY 63 N 1.19 1.83 0.00 4.83 0.00 -1.26 -4.78 105.19 107.00 2pou n GLY 63 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2pou n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2pou n HIS 64 N -2.00 0.00 -2.68 1.61 1.44 -1.26 -4.65 115.22 107.68 2pou n HIS 64 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2pou n HIS 64 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2pou n HIS 64 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2pou n ALA 65 N -0.56 0.00 -2.76 1.59 0.00 -1.26 -4.80 120.51 112.72 2pou n ALA 65 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 2pou n ALA 65 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 2pou n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2pou s PHE 66 N -3.87 0.83 -0.14 0.00 -0.12 -1.26 -1.61 117.98 111.81 2pou s PHE 66 Ca 0.00 -0.17 -0.02 0.00 -0.05 0.00 0.00 56.93 56.70 2pou s PHE 66 Cb 0.00 -0.55 -0.02 0.00 -0.63 0.00 0.00 43.02 41.82 2pou s PHE 66 CO 0.00 -0.03 -0.09 -0.80 -0.05 0.00 0.00 175.22 174.25 2pou s ASN 67 N -0.12 4.38 -0.42 1.98 0.01 0.57 -4.30 114.94 117.04 2pou s ASN 67 Ca 0.02 -0.23 -0.16 0.00 -0.71 0.00 0.00 52.86 51.78 2pou s ASN 67 Cb -0.05 -1.68 0.03 0.00 0.41 0.00 0.00 41.25 39.96 2pou s ASN 67 CO -0.00 0.17 0.36 -0.69 -1.51 0.00 0.00 177.10 175.43 2pou s VAL 68 N 0.33 5.19 0.13 1.60 1.01 -0.22 -0.75 120.40 127.69 2pou s VAL 68 Ca -0.08 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 2pou s VAL 68 Cb -0.15 -3.99 -0.06 0.00 0.00 0.00 0.00 36.38 32.18 2pou s VAL 68 CO 0.04 -0.38 0.45 -1.61 0.00 0.00 0.00 175.10 173.60 2pou s GLU 69 N 1.85 3.78 0.26 2.72 2.02 0.13 -1.73 118.70 127.73 2pou s GLU 69 Ca 0.08 0.20 0.11 0.00 0.02 0.00 0.00 54.97 55.38 2pou s GLU 69 Cb -0.19 -2.90 -0.05 0.00 0.10 0.00 0.00 34.13 31.10 2pou s GLU 69 CO 0.11 0.49 -0.17 -0.06 0.02 0.00 0.00 175.26 175.65 2pou s PHE 70 N -1.53 2.37 -0.50 1.61 0.40 -0.00 -0.31 117.98 120.02 2pou s PHE 70 Ca 0.38 -0.31 -0.27 0.00 -0.60 0.00 0.00 56.93 56.12 2pou s PHE 70 Cb -0.13 -1.05 0.03 0.00 0.51 0.00 0.00 43.02 42.37 2pou s PHE 70 CO 0.20 0.67 1.07 0.34 0.70 0.00 0.00 175.22 178.19 2pou s ASP 71 N -3.41 6.54 -0.32 1.36 -1.08 0.36 -4.83 116.67 115.29 2pou s ASP 71 Ca 0.29 0.23 0.08 0.00 -0.52 0.00 0.00 52.55 52.63 2pou s ASP 71 Cb -0.06 -2.51 0.55 0.00 -1.46 0.00 0.00 42.92 39.44 2pou s ASP 71 CO 0.15 -1.23 1.57 -0.90 0.52 0.00 0.00 175.17 175.28 2pou n ASP 72 N 7.71 2.78 0.04 -0.34 3.85 -1.26 -4.55 116.55 124.78 2pou n ASP 72 Ca 0.09 -3.73 0.13 0.00 -0.71 0.00 0.00 54.79 50.56 2pou n ASP 72 Cb 0.49 -0.68 0.38 0.00 -1.35 0.00 0.00 41.12 39.95 2pou n ASP 72 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 2pou n SER 73 N -1.11 0.49 -4.42 -1.12 3.41 -1.26 -4.87 113.62 104.75 2pou n SER 73 Ca 0.39 0.28 -0.21 0.00 -0.26 0.00 0.00 58.87 59.07 2pou n SER 73 Cb 1.17 -0.27 -0.10 0.00 -0.26 0.00 0.00 64.21 64.75 2pou n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2pou s GLN 74 N -3.07 1.54 -1.14 4.33 -0.21 -1.26 -5.06 119.66 114.79 2pou s GLN 74 Ca 0.11 -1.80 -0.21 0.00 0.02 0.00 0.00 55.36 53.47 2pou s GLN 74 Cb 0.15 -0.97 0.01 0.00 1.00 0.00 0.00 33.01 33.20 2pou s GLN 74 CO 0.63 -0.05 1.75 0.34 -2.12 0.00 0.00 175.29 175.83 2pou s ASP 75 N -3.43 6.05 0.09 5.90 2.15 -1.26 -4.89 116.67 121.29 2pou s ASP 75 Ca 0.31 -1.74 -0.03 0.00 0.43 0.00 0.00 52.55 51.52 2pou s ASP 75 Cb 0.06 -2.58 -0.03 0.00 -0.30 0.00 0.00 42.92 40.07 2pou s ASP 75 CO 0.12 -1.96 0.06 -0.54 -0.17 0.00 0.00 175.17 172.68 2pou s LYS 76 N 5.39 0.80 -0.23 4.34 1.02 -1.26 -5.00 119.74 124.81 2pou s LYS 76 Ca 0.58 -1.24 -0.17 0.00 0.02 0.00 0.00 55.97 55.16 2pou s LYS 76 Cb 0.00 0.26 0.03 0.00 -0.52 0.00 0.00 37.83 37.60 2pou s LYS 76 CO 0.03 -0.21 0.30 0.00 -0.92 0.00 0.00 175.35 174.56 2pou n ALA 77 N -0.01 -2.26 -2.50 5.17 0.00 -1.22 -4.37 120.51 115.30 2pou n ALA 77 Ca -0.11 0.23 -0.25 0.00 0.00 0.00 0.00 53.44 53.31 2pou n ALA 77 Cb 0.62 -1.41 -0.12 0.00 0.00 0.00 0.00 19.45 18.53 2pou n ALA 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2pou s VAL 78 N -1.31 1.84 -0.10 0.00 -7.23 -0.43 -1.07 120.40 112.11 2pou s VAL 78 Ca 0.17 -1.63 0.04 0.00 -1.81 0.00 0.00 61.98 58.75 2pou s VAL 78 Cb -0.02 -1.68 -0.00 0.00 0.56 0.00 0.00 36.38 35.24 2pou s VAL 78 CO 0.45 -0.05 -0.22 -0.22 -0.31 0.00 0.00 175.10 174.74 2pou s LEU 79 N -2.02 2.19 0.36 1.32 2.96 0.64 -1.24 118.68 122.89 2pou s LEU 79 Ca 0.09 -0.51 -0.07 0.00 -0.22 0.00 0.00 54.13 53.41 2pou s LEU 79 Cb -0.10 -1.44 0.02 0.00 0.50 0.00 0.00 46.19 45.18 2pou s LEU 79 CO 0.05 0.17 0.60 -1.59 -1.32 0.00 0.00 176.35 174.26 2pou s LYS 80 N 0.27 2.05 1.71 1.98 -2.85 -0.46 -1.31 119.74 121.13 2pou s LYS 80 Ca -0.16 -1.64 0.00 0.00 -1.00 0.00 0.00 55.97 53.17 2pou s LYS 80 Cb -0.17 0.52 0.00 0.00 -2.06 0.00 0.00 37.83 36.12 2pou s LYS 80 CO 0.08 -0.90 0.00 0.41 0.10 0.00 0.00 175.35 175.04 2pou n GLY 81 N -0.56 -1.48 7.00 0.59 0.00 -1.26 -0.04 105.19 109.44 2pou n GLY 81 Ca -0.03 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.70 2pou n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pou n GLY 82 N 0.00 3.15 0.29 -0.02 0.00 -0.04 -1.33 105.19 107.24 2pou n GLY 82 Ca 0.00 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 45.97 2pou n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2pou n PRO 83 N 13.72 1.15 -2.98 1.61 -0.04 -1.26 -2.63 135.00 144.57 2pou n PRO 83 Ca 0.00 -0.59 -0.36 0.00 -0.04 0.00 0.00 63.50 62.51 2pou n PRO 83 Cb 0.00 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 31.91 2pou n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2pou s LEU 84 N -2.25 4.32 -0.18 1.53 1.43 -0.44 -5.06 118.68 118.02 2pou s LEU 84 Ca 0.33 1.56 -0.03 0.00 -1.03 0.00 0.00 54.13 54.96 2pou s LEU 84 Cb 0.20 -3.77 -0.01 0.00 0.03 0.00 0.00 46.19 42.64 2pou s LEU 84 CO 0.42 -0.02 -0.06 -1.81 0.23 0.00 0.00 176.35 175.11 2pou s ASP 85 N -1.67 4.36 0.00 2.29 -0.00 -1.26 -4.19 116.67 116.19 2pou s ASP 85 Ca 0.46 -0.31 0.00 0.00 -0.00 0.00 0.00 52.55 52.70 2pou s ASP 85 Cb -0.17 -1.72 0.00 0.00 -0.00 0.00 0.00 42.92 41.03 2pou s ASP 85 CO 0.22 0.07 0.00 0.61 -0.00 0.00 0.00 175.17 176.07 2pou n GLY 86 N 4.18 -1.71 3.25 0.21 0.00 -1.26 -4.93 105.19 104.93 2pou n GLY 86 Ca -0.18 -1.59 -0.29 0.00 0.00 0.00 0.00 46.02 43.96 2pou n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pou s THR 87 N 0.00 1.83 -0.11 2.61 -4.23 -1.26 -4.47 115.64 110.01 2pou s THR 87 Ca 0.00 -0.98 0.01 0.00 -1.18 0.00 0.00 61.69 59.54 2pou s THR 87 Cb 0.00 -1.53 -0.02 0.00 1.34 0.00 0.00 72.50 72.30 2pou s THR 87 CO 0.00 0.52 -0.15 -0.31 -0.54 0.00 0.00 174.62 174.14 2pou s TYR 88 N -0.45 2.74 -0.17 3.99 2.02 -0.43 -1.26 117.35 123.80 2pou s TYR 88 Ca 0.06 -0.60 -0.09 0.00 -0.37 0.00 0.00 57.07 56.07 2pou s TYR 88 Cb -0.10 -1.77 -0.05 0.00 -0.40 0.00 0.00 41.96 39.64 2pou s TYR 88 CO -0.00 -0.16 0.13 0.50 -1.57 0.00 0.00 175.55 174.45 2pou s ARG 89 N 0.12 3.95 0.14 -0.62 3.52 0.12 -0.26 118.95 125.90 2pou s ARG 89 Ca -0.07 -0.21 -0.31 0.00 -0.13 0.00 0.00 55.73 55.01 2pou s ARG 89 Cb -0.15 -3.33 -0.09 0.00 -1.56 0.00 0.00 34.95 29.82 2pou s ARG 89 CO 0.05 0.44 1.54 -1.17 -0.81 0.00 0.00 175.30 175.34 2pou s LEU 90 N -0.04 4.37 -0.04 -0.88 2.96 -0.23 -1.08 118.68 123.74 2pou s LEU 90 Ca 0.10 2.52 0.02 0.00 -0.22 0.00 0.00 54.13 56.54 2pou s LEU 90 Cb -0.11 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 2pou s LEU 90 CO -0.00 -0.79 -0.01 0.00 -1.32 0.00 0.00 176.35 174.22 2pou n ILE 91 N 4.08 0.24 -3.65 6.68 3.06 -0.18 -4.57 119.36 125.02 2pou n ILE 91 Ca 0.14 -0.12 -0.04 0.00 -2.50 0.00 0.00 62.75 60.23 2pou n ILE 91 Cb 0.40 -0.78 -0.01 0.00 0.54 0.00 0.00 39.64 39.78 2pou n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2pou s GLN 92 N -2.08 0.89 0.04 9.51 1.03 -1.21 -0.82 119.66 127.02 2pou s GLN 92 Ca -0.04 -0.45 -0.04 0.00 0.04 0.00 0.00 55.36 54.88 2pou s GLN 92 Cb 0.01 0.33 -0.02 0.00 0.03 0.00 0.00 33.01 33.37 2pou s GLN 92 CO 0.12 -0.40 0.05 -0.59 -2.54 0.00 0.00 175.29 171.92 2pou s PHE 93 N -3.03 0.27 0.36 9.60 -0.12 -0.71 -0.65 117.98 123.72 2pou s PHE 93 Ca 0.10 -0.62 -0.15 0.00 -0.05 0.00 0.00 56.93 56.22 2pou s PHE 93 Cb -0.00 -0.20 0.04 0.00 -0.63 0.00 0.00 43.02 42.23 2pou s PHE 93 CO -0.02 -0.34 0.73 -3.38 -0.05 0.00 0.00 175.22 172.16 2pou s HIS 94 N -2.65 0.21 0.27 3.49 -3.43 -0.73 -1.06 115.29 111.38 2pou s HIS 94 Ca -0.05 -0.79 0.03 0.00 -0.80 0.00 0.00 55.06 53.46 2pou s HIS 94 Cb -0.01 0.69 -0.06 0.00 -1.43 0.00 0.00 32.58 31.77 2pou s HIS 94 CO -0.05 -1.46 0.04 -0.06 -2.00 0.00 0.00 174.74 171.21 2pou s PHE 95 N -2.67 1.69 -0.03 0.38 0.40 -1.26 -0.70 117.98 115.79 2pou s PHE 95 Ca 0.17 -0.98 0.02 0.00 -0.60 0.00 0.00 56.93 55.54 2pou s PHE 95 Cb -0.05 -1.03 0.01 0.00 0.51 0.00 0.00 43.02 42.47 2pou s PHE 95 CO 0.12 -0.08 -0.08 -1.01 0.70 0.00 0.00 175.22 174.87 2pou s HIS 96 N -3.44 0.92 0.23 0.36 3.76 -0.43 -4.75 115.29 111.94 2pou s HIS 96 Ca 0.33 -0.25 -0.06 0.00 -0.15 0.00 0.00 55.06 54.93 2pou s HIS 96 Cb 0.07 -0.69 -0.02 0.00 1.11 0.00 0.00 32.58 33.04 2pou s HIS 96 CO 0.12 -0.14 0.30 1.67 -0.85 0.00 0.00 174.74 175.85 2pou s TRP 97 N 0.41 0.83 0.48 1.40 -2.14 -1.22 -0.93 118.94 117.77 2pou s TRP 97 Ca -0.06 -1.10 0.06 0.00 2.66 0.00 0.00 56.10 57.65 2pou s TRP 97 Cb -0.11 -0.22 0.06 0.00 -3.10 0.00 0.00 33.47 30.10 2pou s TRP 97 CO 0.01 -0.83 0.46 0.41 -2.66 0.00 0.00 176.95 174.34 2pou n GLY 98 N -0.34 2.51 0.03 3.67 0.00 -1.14 -0.87 105.19 109.05 2pou n GLY 98 Ca 0.01 -2.26 0.12 0.00 0.00 0.00 0.00 46.02 43.89 2pou n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pou n SER 99 N -2.05 0.61 -4.07 1.61 3.41 -1.26 -4.23 113.62 107.64 2pou n SER 99 Ca 0.03 -0.12 -0.09 0.00 -0.26 0.00 0.00 58.87 58.44 2pou n SER 99 Cb 0.53 0.36 -0.10 0.00 -0.26 0.00 0.00 64.21 64.73 2pou n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2pou s LEU 100 N -3.67 2.40 0.55 1.04 1.43 -1.26 -5.04 118.68 114.12 2pou s LEU 100 Ca 0.07 -0.81 0.27 0.00 -1.03 0.00 0.00 54.13 52.63 2pou s LEU 100 Cb 0.15 0.09 1.57 0.00 0.03 0.00 0.00 46.19 48.03 2pou s LEU 100 CO 0.74 -0.45 2.15 0.44 0.23 0.00 0.00 176.35 179.45 2pou h ASP 101 N 3.70 0.00 0.00 2.29 3.45 -1.91 -2.77 116.42 121.17 2pou h ASP 101 Ca -0.34 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.12 2pou h ASP 101 Cb 1.17 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.94 2pou h ASP 101 CO 0.56 0.07 0.00 0.61 -1.57 0.00 0.00 179.24 178.91 2pou n GLY 102 N -1.02 -0.74 3.48 2.75 0.00 -1.26 -3.45 105.19 104.95 2pou n GLY 102 Ca -0.02 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 2pou n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2pou s GLN 103 N -2.00 1.33 0.00 1.61 -2.07 -1.05 -4.70 119.66 112.78 2pou s GLN 103 Ca 0.30 -0.83 0.00 0.00 -1.82 0.00 0.00 55.36 53.01 2pou s GLN 103 Cb 0.14 0.51 0.00 0.00 -1.09 0.00 0.00 33.01 32.57 2pou s GLN 103 CO 0.23 -0.56 0.00 0.41 -1.32 0.00 0.00 175.29 174.06 2pou n GLY 104 N -0.32 2.01 3.84 2.60 0.00 -1.02 -2.90 105.19 109.40 2pou n GLY 104 Ca -0.11 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 2pou n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pou s SER 105 N 0.00 5.92 -0.20 1.61 1.04 -0.68 -3.40 113.70 118.00 2pou s SER 105 Ca 0.00 1.58 -0.16 0.00 0.48 0.00 0.00 55.95 57.85 2pou s SER 105 Cb 0.00 -2.50 -0.12 0.00 0.10 0.00 0.00 66.02 63.51 2pou s SER 105 CO 0.00 -1.07 -0.09 -0.62 0.98 0.00 0.00 173.24 172.43 2pou n GLU 106 N -2.56 0.54 -2.26 4.02 1.02 -1.26 -4.82 120.64 115.32 2pou n GLU 106 Ca 0.07 0.44 -0.33 0.00 -0.02 0.00 0.00 57.16 57.33 2pou n GLU 106 Cb 0.54 -1.63 -0.01 0.00 -0.02 0.00 0.00 31.44 30.31 2pou n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2pou s HIS 107 N -2.44 3.14 0.13 -0.32 3.76 -1.26 -4.24 115.29 114.07 2pou s HIS 107 Ca -0.28 1.51 0.06 0.00 -0.15 0.00 0.00 55.06 56.20 2pou s HIS 107 Cb 0.07 -2.94 -0.04 0.00 1.11 0.00 0.00 32.58 30.77 2pou s HIS 107 CO 0.45 -0.80 -0.13 0.95 -0.85 0.00 0.00 174.74 174.36 2pou s THR 108 N -2.43 1.30 -0.25 1.30 -4.23 -1.19 -4.69 115.64 105.45 2pou s THR 108 Ca 0.63 -1.82 0.02 0.00 -1.18 0.00 0.00 61.69 59.34 2pou s THR 108 Cb -0.14 -1.62 0.05 0.00 1.34 0.00 0.00 72.50 72.13 2pou s THR 108 CO 0.32 -0.51 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.09 2pou s VAL 109 N -2.47 2.23 -1.47 2.29 1.01 -0.76 0.20 120.40 121.43 2pou s VAL 109 Ca 0.11 -1.53 -0.11 0.00 0.00 0.00 0.00 61.98 60.45 2pou s VAL 109 Cb -0.03 -2.27 0.06 0.00 0.00 0.00 0.00 36.38 34.14 2pou s VAL 109 CO 0.03 0.03 0.99 0.47 0.00 0.00 0.00 175.10 176.62 2pou n ASP 110 N 4.47 -4.61 0.00 3.32 10.43 -0.00 -0.61 116.55 129.55 2pou n ASP 110 Ca -0.15 -0.74 0.00 0.00 2.57 0.00 0.00 54.79 56.48 2pou n ASP 110 Cb 0.43 -4.15 0.00 0.00 1.84 0.00 0.00 41.12 39.24 2pou n ASP 110 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 2pou n LYS 111 N -4.69 0.00 -2.40 -1.24 4.76 -1.26 -4.99 118.16 108.34 2pou n LYS 111 Ca -0.01 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.01 2pou n LYS 111 Cb 0.55 -2.98 -0.03 0.00 -1.84 0.00 0.00 35.03 30.73 2pou n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2pou s LYS 112 N -0.26 4.43 -0.17 1.97 2.20 0.22 -4.99 119.74 123.15 2pou s LYS 112 Ca 0.00 1.81 -0.07 0.00 -0.36 0.00 0.00 55.97 57.34 2pou s LYS 112 Cb 0.00 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.95 2pou s LYS 112 CO 0.00 -0.25 0.07 0.15 -0.36 0.00 0.00 175.35 174.96 2pou s LYS 113 N 0.94 3.84 0.56 4.03 1.02 -1.26 -1.83 119.74 127.04 2pou s LYS 113 Ca 0.59 -0.31 0.01 0.00 0.02 0.00 0.00 55.97 56.28 2pou s LYS 113 Cb -0.30 -3.19 0.04 0.00 -0.52 0.00 0.00 37.83 33.85 2pou s LYS 113 CO 0.30 0.38 0.79 0.71 -0.92 0.00 0.00 175.35 176.61 2pou s TYR 114 N 0.07 2.79 0.35 3.18 1.51 -1.26 -4.60 117.35 119.39 2pou s TYR 114 Ca 0.06 -0.01 0.22 0.00 -1.01 0.00 0.00 57.07 56.33 2pou s TYR 114 Cb -0.12 -2.78 1.13 0.00 -0.11 0.00 0.00 41.96 40.08 2pou s TYR 114 CO 0.00 -0.94 1.95 0.00 -1.11 0.00 0.00 175.55 175.46 2pou h ALA 115 N 0.02 1.27 -2.38 3.71 0.00 -1.41 -1.72 119.26 118.75 2pou h ALA 115 Ca -0.42 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 54.48 2pou h ALA 115 Cb 1.30 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 2pou h ALA 115 CO 0.52 0.27 0.57 0.00 0.00 0.00 0.00 179.25 180.61 2pou s ALA 116 N -4.09 -1.67 -0.10 0.00 0.00 -1.11 -3.01 121.76 111.77 2pou s ALA 116 Ca -0.02 -0.09 -0.06 0.00 0.00 0.00 0.00 51.96 51.79 2pou s ALA 116 Cb 0.13 0.69 0.04 0.00 0.00 0.00 0.00 23.12 23.98 2pou s ALA 116 CO 0.64 -1.06 0.25 -2.00 0.00 0.00 0.00 175.76 173.59 2pou s GLU 117 N -2.58 0.21 -0.15 0.00 2.12 -0.10 -1.41 118.70 116.79 2pou s GLU 117 Ca 0.18 0.51 -0.11 0.00 0.36 0.00 0.00 54.97 55.91 2pou s GLU 117 Cb -0.02 -0.10 -0.05 0.00 0.26 0.00 0.00 34.13 34.23 2pou s GLU 117 CO 0.03 -0.15 0.21 -1.17 -0.54 0.00 0.00 175.26 173.65 2pou s LEU 118 N 1.16 4.28 -0.18 2.70 2.96 0.83 -1.32 118.68 129.12 2pou s LEU 118 Ca -0.08 0.44 0.01 0.00 -0.22 0.00 0.00 54.13 54.27 2pou s LEU 118 Cb -0.10 -2.22 0.03 0.00 0.50 0.00 0.00 46.19 44.40 2pou s LEU 118 CO -0.08 0.22 -0.14 -1.00 -1.32 0.00 0.00 176.35 174.03 2pou s HIS 119 N -0.04 2.42 -0.35 5.38 3.76 0.12 -0.76 115.29 125.81 2pou s HIS 119 Ca 0.14 -1.48 -0.11 0.00 -0.15 0.00 0.00 55.06 53.46 2pou s HIS 119 Cb -0.12 -1.68 0.01 0.00 1.11 0.00 0.00 32.58 31.89 2pou s HIS 119 CO 0.03 -0.73 0.20 -0.51 -0.85 0.00 0.00 174.74 172.87 2pou s LEU 120 N 1.40 4.52 -0.15 0.89 1.43 -0.36 -1.77 118.68 124.63 2pou s LEU 120 Ca 0.02 -0.79 -0.17 0.00 -1.03 0.00 0.00 54.13 52.17 2pou s LEU 120 Cb -0.14 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 2pou s LEU 120 CO -0.10 -0.31 0.42 -0.69 0.23 0.00 0.00 176.35 175.90 2pou s VAL 121 N 1.59 5.21 0.04 -1.59 1.01 0.18 -0.97 120.40 125.86 2pou s VAL 121 Ca 0.03 0.81 0.05 0.00 0.00 0.00 0.00 61.98 62.88 2pou s VAL 121 Cb -0.18 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 2pou s VAL 121 CO 0.07 0.31 -0.15 -1.00 0.00 0.00 0.00 175.10 174.33 2pou s HIS 122 N 0.85 1.31 0.01 5.22 3.76 -0.33 -1.01 115.29 125.10 2pou s HIS 122 Ca 0.22 -0.35 0.05 0.00 -0.15 0.00 0.00 55.06 54.83 2pou s HIS 122 Cb -0.15 -0.78 -0.03 0.00 1.11 0.00 0.00 32.58 32.73 2pou s HIS 122 CO 0.08 0.04 -0.12 1.67 -0.85 0.00 0.00 174.74 175.56 2pou s TRP 123 N -0.81 2.75 -0.14 1.40 1.48 -0.24 -1.12 118.94 122.25 2pou s TRP 123 Ca 0.03 -0.13 -0.29 0.00 -1.06 0.00 0.00 56.10 54.64 2pou s TRP 123 Cb -0.08 -1.56 -0.05 0.00 -1.16 0.00 0.00 33.47 30.62 2pou s TRP 123 CO 0.01 0.30 1.86 1.21 -4.06 0.00 0.00 176.95 176.28 2pou s ASN 124 N -1.32 6.19 0.50 -2.66 3.84 0.90 -0.70 114.94 121.68 2pou s ASN 124 Ca 0.15 2.02 0.33 0.00 0.21 0.00 0.00 52.86 55.58 2pou s ASN 124 Cb -0.11 -2.53 1.77 0.00 -0.55 0.00 0.00 41.25 39.84 2pou s ASN 124 CO 0.06 -1.35 2.02 0.71 -2.79 0.00 0.00 177.10 175.75 2pou h THR 125 N 6.21 0.00 0.00 -5.21 1.35 -1.52 -2.04 112.91 111.70 2pou h THR 125 Ca -0.40 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2pou h THR 125 Cb 1.20 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 2pou h THR 125 CO 0.97 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 178.53 2pou n LYS 127 N -2.70 0.00 -0.29 4.72 2.85 -1.26 -2.33 118.16 119.16 2pou n LYS 127 Ca -0.02 0.23 0.11 0.00 -1.05 0.00 0.00 58.31 57.58 2pou n LYS 127 Cb 0.08 -1.50 0.27 0.00 -0.65 0.00 0.00 35.03 33.23 2pou n LYS 127 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2pou n TYR 128 N -1.50 0.75 0.00 5.58 0.53 -0.77 -5.00 117.16 116.77 2pou n TYR 128 Ca 0.04 -0.40 0.00 0.00 -1.02 0.00 0.00 57.90 56.52 2pou n TYR 128 Cb 0.18 -0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.49 2pou n TYR 128 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2pou n GLY 129 N 1.50 1.53 3.74 2.72 0.00 -0.98 -4.48 105.19 109.22 2pou n GLY 129 Ca 0.21 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 2pou n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2pou s ASP 130 N 0.00 0.04 0.17 1.61 1.47 -1.26 -5.03 116.67 113.67 2pou s ASP 130 Ca 0.00 -1.00 -0.13 0.00 1.18 0.00 0.00 52.55 52.59 2pou s ASP 130 Cb 0.00 0.75 0.07 0.00 -0.34 0.00 0.00 42.92 43.39 2pou s ASP 130 CO 0.00 -1.45 1.78 0.15 0.68 0.00 0.00 175.17 176.33 2pou h PHE 131 N 2.06 0.77 -0.95 2.11 3.04 -1.93 -2.13 116.94 119.90 2pou h PHE 131 Ca -0.27 -0.02 0.10 0.00 3.98 0.00 0.00 57.97 61.76 2pou h PHE 131 Cb 1.25 -0.24 -0.08 0.00 2.56 0.00 0.00 35.95 39.44 2pou h PHE 131 CO 0.96 0.57 0.58 0.78 -2.02 0.00 0.00 178.31 179.18 2pou h GLY 132 N 0.75 1.51 1.63 2.40 0.00 -1.97 -2.11 103.07 105.28 2pou h GLY 132 Ca 0.19 -0.40 -0.27 0.00 0.00 0.00 0.00 47.33 46.86 2pou h GLY 132 CO -0.03 0.17 -1.25 0.50 0.00 0.00 0.00 176.54 175.94 2pou h LYS 133 N 0.96 0.21 -0.69 4.80 1.79 -1.81 -3.34 116.57 118.49 2pou h LYS 133 Ca 0.46 -0.37 0.03 0.00 -2.18 0.00 0.00 60.65 58.59 2pou h LYS 133 Cb 0.40 0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 31.15 2pou h LYS 133 CO -0.25 1.15 0.43 0.00 -1.08 0.00 0.00 179.45 179.71 2pou h ALA 134 N 0.65 0.90 0.00 3.86 0.00 -0.80 -2.23 119.26 121.65 2pou h ALA 134 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2pou h ALA 134 Cb 1.94 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2pou h ALA 134 CO 0.18 0.21 0.00 1.33 0.00 0.00 0.00 179.25 180.97 2pou n VAL 135 N -4.67 1.38 0.61 0.00 0.24 -0.85 -1.12 118.33 113.92 2pou n VAL 135 Ca 0.07 0.43 0.09 0.00 -2.04 0.00 0.00 64.34 62.89 2pou n VAL 135 Cb 0.08 -1.34 0.26 0.00 -1.47 0.00 0.00 33.84 31.37 2pou n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2pou n GLN 136 N -1.73 2.11 -4.59 7.34 6.02 -0.84 -4.68 117.38 121.01 2pou n GLN 136 Ca 0.01 -1.70 -0.30 0.00 -0.01 0.00 0.00 57.00 55.00 2pou n GLN 136 Cb 0.09 -1.41 -0.13 0.00 1.02 0.00 0.00 30.24 29.81 2pou n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2pou s GLN 137 N -1.48 1.86 0.52 -1.09 -1.52 -0.27 -5.03 119.66 112.64 2pou s GLN 137 Ca 0.34 -1.10 0.18 0.00 -1.95 0.00 0.00 55.36 52.82 2pou s GLN 137 Cb 0.18 -2.09 1.28 0.00 -0.22 0.00 0.00 33.01 32.16 2pou s GLN 137 CO 0.25 0.51 2.10 -1.35 -0.25 0.00 0.00 175.29 176.55 2pou h PRO 138 N 4.31 0.04 -0.48 2.91 0.11 -1.85 -2.27 132.00 134.76 2pou h PRO 138 Ca -0.48 -0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.27 2pou h PRO 138 Cb 1.16 -0.01 -0.28 0.00 0.11 0.00 0.00 31.00 31.98 2pou h PRO 138 CO 0.45 0.02 -0.72 -0.40 -0.21 0.00 0.00 178.00 177.15 2pou n ASP 139 N -4.49 3.74 0.09 -2.05 3.85 -1.26 -4.11 116.55 112.32 2pou n ASP 139 Ca 0.01 -3.77 -0.04 0.00 -0.71 0.00 0.00 54.79 50.28 2pou n ASP 139 Cb 0.23 -0.41 -0.01 0.00 -1.35 0.00 0.00 41.12 39.59 2pou n ASP 139 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 2pou h GLY 140 N 1.77 0.00 -3.31 6.12 0.00 -1.22 -3.43 103.07 103.01 2pou h GLY 140 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 47.13 2pou h GLY 140 CO 0.49 0.00 -0.76 1.08 0.00 0.00 0.00 176.54 177.35 2pou s LEU 141 N -6.96 2.45 -0.08 3.11 1.43 0.05 -0.07 118.68 118.61 2pou s LEU 141 Ca 0.01 -0.87 -0.01 0.00 -1.03 0.00 0.00 54.13 52.23 2pou s LEU 141 Cb 0.11 -0.61 0.03 0.00 0.03 0.00 0.00 46.19 45.75 2pou s LEU 141 CO 0.79 -0.14 -0.02 0.00 0.23 0.00 0.00 176.35 177.20 2pou s ALA 142 N -2.36 0.85 -0.17 4.21 0.00 -0.28 -0.79 121.76 123.22 2pou s ALA 142 Ca 0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 51.96 51.87 2pou s ALA 142 Cb -0.04 -0.73 -0.00 0.00 0.00 0.00 0.00 23.12 22.35 2pou s ALA 142 CO 0.04 -0.38 -0.13 0.08 0.00 0.00 0.00 175.76 175.37 2pou s VAL 143 N 1.74 2.80 -0.31 0.00 1.01 -0.91 -1.19 120.40 123.54 2pou s VAL 143 Ca 0.02 -0.71 -0.19 0.00 0.00 0.00 0.00 61.98 61.10 2pou s VAL 143 Cb -0.13 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 2pou s VAL 143 CO -0.05 0.50 0.59 -0.22 0.00 0.00 0.00 175.10 175.91 2pou s LEU 144 N 0.97 4.17 -0.15 3.92 2.96 -0.15 -1.80 118.68 128.61 2pou s LEU 144 Ca -0.02 0.35 -0.06 0.00 -0.22 0.00 0.00 54.13 54.18 2pou s LEU 144 Cb -0.15 -2.74 -0.04 0.00 0.50 0.00 0.00 46.19 43.76 2pou s LEU 144 CO -0.02 -0.45 0.06 -0.83 -1.32 0.00 0.00 176.35 173.79 2pou s GLY 145 N 1.66 1.93 -0.07 7.98 0.00 0.83 -1.23 107.32 118.42 2pou s GLY 145 Ca 0.23 -0.74 0.01 0.00 0.00 0.00 0.00 44.72 44.22 2pou s GLY 145 CO 0.12 -0.18 -0.07 -0.42 0.00 0.00 0.00 173.10 172.55 2pou s ILE 146 N -0.19 0.81 0.43 0.90 1.01 0.06 -0.72 121.20 123.49 2pou s ILE 146 Ca 0.07 -0.24 -0.22 0.00 0.00 0.00 0.00 60.65 60.27 2pou s ILE 146 Cb -0.12 -0.81 -0.10 0.00 0.01 0.00 0.00 42.46 41.44 2pou s ILE 146 CO 0.01 0.30 0.97 -0.36 0.00 0.00 0.00 174.94 175.86 2pou s PHE 147 N 1.11 3.30 -0.09 3.97 0.08 -1.26 -0.12 117.98 124.96 2pou s PHE 147 Ca -0.07 1.63 0.04 0.00 0.12 0.00 0.00 56.93 58.64 2pou s PHE 147 Cb -0.14 -2.92 0.00 0.00 -0.57 0.00 0.00 43.02 39.39 2pou s PHE 147 CO -0.01 -0.24 -0.23 -0.51 -0.10 0.00 0.00 175.22 174.13 2pou s LEU 148 N -3.07 2.05 0.23 -0.37 1.02 -0.50 -0.55 118.68 117.50 2pou s LEU 148 Ca 0.61 -0.53 0.11 0.00 0.02 0.00 0.00 54.13 54.34 2pou s LEU 148 Cb -0.12 -1.35 -0.05 0.00 0.02 0.00 0.00 46.19 44.69 2pou s LEU 148 CO 0.16 0.15 -0.22 -1.59 0.02 0.00 0.00 176.35 174.88 2pou s LYS 149 N 0.33 1.58 -0.21 1.70 -2.85 -0.43 -1.92 119.74 117.94 2pou s LYS 149 Ca -0.18 -1.63 -0.18 0.00 -1.00 0.00 0.00 55.97 52.98 2pou s LYS 149 Cb -0.17 -1.77 -0.03 0.00 -2.06 0.00 0.00 37.83 33.79 2pou s LYS 149 CO 0.08 0.36 0.51 0.08 0.10 0.00 0.00 175.35 176.48 2pou s VAL 150 N -2.10 5.11 0.00 1.79 1.01 -1.26 -0.88 120.40 124.06 2pou s VAL 150 Ca 0.25 0.93 0.00 0.00 0.00 0.00 0.00 61.98 63.16 2pou s VAL 150 Cb -0.06 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.48 2pou s VAL 150 CO 0.12 0.17 0.00 0.61 0.00 0.00 0.00 175.10 176.00 2pou n GLY 151 N 3.94 -0.03 3.79 4.51 0.00 0.23 -4.91 105.19 112.73 2pou n GLY 151 Ca -0.05 0.55 -0.34 0.00 0.00 0.00 0.00 46.02 46.18 2pou n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pou s SER 152 N 2.00 6.21 0.60 1.61 0.01 -1.26 -4.02 113.70 118.85 2pou s SER 152 Ca 0.00 1.98 -0.17 0.00 1.31 0.00 0.00 55.95 59.07 2pou s SER 152 Cb 0.00 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.64 2pou s SER 152 CO 0.00 -0.87 1.11 0.00 0.41 0.00 0.00 173.24 173.89 2pou s ALA 153 N -1.94 2.59 -0.45 1.44 0.00 -1.26 -2.06 121.76 120.09 2pou s ALA 153 Ca 0.68 0.65 -0.10 0.00 0.00 0.00 0.00 51.96 53.19 2pou s ALA 153 Cb -0.18 -3.33 0.10 0.00 0.00 0.00 0.00 23.12 19.72 2pou s ALA 153 CO 0.21 -1.01 0.32 0.21 0.00 0.00 0.00 175.76 175.50 2pou s LYS 154 N -3.74 2.57 0.24 0.00 2.47 -1.20 -4.78 119.74 115.31 2pou s LYS 154 Ca 0.69 -1.62 -0.06 0.00 -1.56 0.00 0.00 55.97 53.43 2pou s LYS 154 Cb -0.21 -3.89 0.44 0.00 -1.46 0.00 0.00 37.83 32.70 2pou s LYS 154 CO 0.35 -1.09 1.68 -1.35 0.16 0.00 0.00 175.35 175.09 2pou h PRO 155 N 8.47 0.22 0.00 4.03 0.11 -1.91 -0.75 132.00 142.17 2pou h PRO 155 Ca -0.23 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2pou h PRO 155 Cb 1.08 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2pou h PRO 155 CO 0.83 0.15 0.00 0.41 -0.21 0.00 0.00 178.00 179.17 2pou n GLY 156 N -1.36 -0.72 0.06 -0.55 0.00 -1.26 -1.87 105.19 99.49 2pou n GLY 156 Ca 0.13 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.32 2pou n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2pou n LEU 157 N -1.76 0.48 -0.33 0.99 7.94 -0.29 -4.47 117.00 119.56 2pou n LEU 157 Ca 0.00 0.14 0.07 0.00 -1.11 0.00 0.00 56.01 55.11 2pou n LEU 157 Cb 0.05 -0.04 0.24 0.00 0.53 0.00 0.00 43.42 44.19 2pou n LEU 157 CO 0.06 -0.07 1.17 -0.61 -1.11 0.00 0.00 177.39 176.82 2pou h GLN 158 N 0.00 0.78 -0.70 1.96 5.75 -1.39 -0.56 115.11 120.95 2pou h GLN 158 Ca 0.00 -0.05 0.05 0.00 -0.15 0.00 0.00 58.65 58.51 2pou h GLN 158 Cb 0.95 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 29.29 2pou h GLN 158 CO 0.00 0.52 0.46 0.87 -2.65 0.00 0.00 178.83 178.03 2pou h LYS 159 N 0.80 0.74 -0.18 1.69 1.57 -1.78 0.13 116.57 119.53 2pou h LYS 159 Ca 0.49 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 59.15 2pou h LYS 159 Cb 0.60 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 2pou h LYS 159 CO -0.31 0.49 -0.17 0.28 -0.57 0.00 0.00 179.45 179.16 2pou h VAL 160 N 0.76 1.33 -0.67 0.50 2.07 -1.42 -3.07 116.25 115.75 2pou h VAL 160 Ca 0.29 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.49 2pou h VAL 160 Cb 0.20 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 2pou h VAL 160 CO -0.09 0.40 0.43 0.58 0.02 0.00 0.00 177.57 178.90 2pou h VAL 161 N 0.09 1.19 0.00 2.57 2.07 -0.48 -2.85 116.25 118.84 2pou h VAL 161 Ca 0.03 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 2pou h VAL 161 Cb 0.71 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 2pou h VAL 161 CO 0.04 0.19 -0.16 0.44 0.02 0.00 0.00 177.57 178.10 2pou h ASP 162 N 0.91 0.00 0.80 0.57 3.32 -0.81 -3.00 116.42 118.22 2pou h ASP 162 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 2pou h ASP 162 Cb -0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.49 2pou h ASP 162 CO -0.05 0.16 -0.49 0.55 -1.72 0.00 0.00 179.24 177.69 2pou n VAL 163 N -3.43 0.22 0.20 -1.35 3.14 -1.08 -4.08 118.33 111.94 2pou n VAL 163 Ca -0.01 -0.16 0.10 0.00 -2.96 0.00 0.00 64.34 61.31 2pou n VAL 163 Cb 0.34 -0.07 0.64 0.00 -1.06 0.00 0.00 33.84 33.68 2pou n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2pou h LEU 164 N 0.00 0.02 -2.56 6.55 3.38 -1.45 -1.30 115.31 119.95 2pou h LEU 164 Ca 0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2pou h LEU 164 Cb 0.64 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 2pou h LEU 164 CO 0.00 0.02 -0.01 -0.78 0.09 0.00 0.00 178.44 177.75 2pou h ASP 165 N 0.03 0.00 0.32 -0.43 1.82 -1.78 -1.48 116.42 114.90 2pou h ASP 165 Ca 0.05 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 2pou h ASP 165 Cb 0.19 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.20 2pou h ASP 165 CO -0.00 0.01 -0.36 -1.54 -1.61 0.00 0.00 179.24 175.74 2pou n SER 166 N -3.54 0.85 -2.52 2.28 3.41 -0.49 -4.09 113.62 109.51 2pou n SER 166 Ca -0.03 -0.67 -0.12 0.00 -0.26 0.00 0.00 58.87 57.79 2pou n SER 166 Cb 0.10 0.19 0.03 0.00 -0.26 0.00 0.00 64.21 64.27 2pou n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2pou n ILE 167 N -0.96 1.73 -0.23 -1.33 -5.35 -0.57 -4.74 119.36 107.91 2pou n ILE 167 Ca 0.10 -3.58 0.00 0.00 -0.27 0.00 0.00 62.75 59.00 2pou n ILE 167 Cb 0.34 0.15 0.12 0.00 -1.74 0.00 0.00 39.64 38.52 2pou n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 2pou h LYS 168 N 2.55 0.56 -6.20 6.28 3.64 -1.67 -3.43 116.57 118.30 2pou h LYS 168 Ca 0.07 -0.03 -0.51 0.00 -1.27 0.00 0.00 60.65 58.91 2pou h LYS 168 Cb 1.29 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.93 2pou h LYS 168 CO 0.49 0.37 -0.52 0.95 -2.27 0.00 0.00 179.45 178.47 2pou s THR 169 N -6.08 4.15 0.19 1.00 -4.23 -1.26 0.12 115.64 109.53 2pou s THR 169 Ca -0.13 -1.44 -0.33 0.00 -1.18 0.00 0.00 61.69 58.62 2pou s THR 169 Cb 0.17 -3.31 -0.14 0.00 1.34 0.00 0.00 72.50 70.56 2pou s THR 169 CO 0.76 -0.31 1.40 1.17 -0.54 0.00 0.00 174.62 177.10 2pou n LYS 170 N -1.20 1.79 0.00 3.99 4.81 0.23 -2.14 118.16 125.64 2pou n LYS 170 Ca -0.06 0.64 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 2pou n LYS 170 Cb 0.58 -2.30 0.00 0.00 0.02 0.00 0.00 35.03 33.34 2pou n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2pou n GLY 171 N 2.52 1.92 3.75 3.14 0.00 -0.03 -4.37 105.19 112.13 2pou n GLY 171 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 2pou n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pou s LYS 172 N -0.67 4.61 0.10 1.61 1.02 -0.91 -4.89 119.74 120.61 2pou s LYS 172 Ca 0.00 1.23 0.01 0.00 0.02 0.00 0.00 55.97 57.23 2pou s LYS 172 Cb 0.00 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.95 2pou s LYS 172 CO 0.00 0.42 -0.04 -1.54 -0.92 0.00 0.00 175.35 173.27 2pou s SER 173 N -0.63 0.92 0.01 2.83 1.04 -1.26 -1.26 113.70 115.35 2pou s SER 173 Ca 0.39 -1.04 -0.18 0.00 0.48 0.00 0.00 55.95 55.60 2pou s SER 173 Cb -0.23 0.14 0.03 0.00 0.10 0.00 0.00 66.02 66.06 2pou s SER 173 CO 0.27 -0.53 0.39 0.00 0.98 0.00 0.00 173.24 174.34 2pou s ALA 174 N -3.73 -0.97 0.17 5.32 0.00 -0.45 -4.95 121.76 117.15 2pou s ALA 174 Ca 0.13 0.41 -0.32 0.00 0.00 0.00 0.00 51.96 52.18 2pou s ALA 174 Cb 0.06 0.18 -0.12 0.00 0.00 0.00 0.00 23.12 23.24 2pou s ALA 174 CO -0.04 -0.35 1.71 -0.25 0.00 0.00 0.00 175.76 176.83 2pou n ASP 175 N 0.91 3.77 -3.38 0.00 8.00 -1.26 -1.47 116.55 123.12 2pou n ASP 175 Ca -0.20 1.05 -0.26 0.00 0.71 0.00 0.00 54.79 56.09 2pou n ASP 175 Cb 0.58 -1.53 -0.10 0.00 -0.02 0.00 0.00 41.12 40.05 2pou n ASP 175 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2pou s PHE 176 N 1.48 0.93 0.24 1.24 5.36 -0.71 -4.76 117.98 121.77 2pou s PHE 176 Ca 0.78 -2.18 0.06 0.00 -0.96 0.00 0.00 56.93 54.63 2pou s PHE 176 Cb -0.55 -0.86 -0.03 0.00 -0.34 0.00 0.00 43.02 41.24 2pou s PHE 176 CO 0.35 -0.85 0.25 0.95 -1.46 0.00 0.00 175.22 174.47 2pou s THR 177 N 0.21 4.76 -1.93 0.12 -4.23 -1.26 -2.77 115.64 110.54 2pou s THR 177 Ca 0.31 -1.23 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 2pou s THR 177 Cb 0.01 -3.57 0.00 0.00 1.34 0.00 0.00 72.50 70.28 2pou s THR 177 CO -0.17 -0.33 0.00 0.59 -0.54 0.00 0.00 174.62 174.17 2pou n ASN 178 N -1.22 -5.66 -4.71 3.99 4.13 -1.26 -4.95 115.26 105.59 2pou n ASN 178 Ca -0.08 0.21 -0.40 0.00 1.68 0.00 0.00 54.58 55.98 2pou n ASN 178 Cb 0.57 -4.80 -0.04 0.00 -1.54 0.00 0.00 39.78 33.97 2pou n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2pou s PHE 179 N -2.91 3.55 -0.46 3.10 5.36 -1.26 -4.99 117.98 120.37 2pou s PHE 179 Ca 0.00 1.29 -0.17 0.00 -0.96 0.00 0.00 56.93 57.09 2pou s PHE 179 Cb 0.00 -2.87 0.05 0.00 -0.34 0.00 0.00 43.02 39.86 2pou s PHE 179 CO 0.00 0.01 0.44 0.34 -1.46 0.00 0.00 175.22 174.55 2pou s ASP 180 N 0.90 6.17 0.27 6.13 3.68 -1.26 -4.48 116.67 128.09 2pou s ASP 180 Ca 0.39 -1.02 0.21 0.00 2.13 0.00 0.00 52.55 54.25 2pou s ASP 180 Cb -0.18 -2.21 1.03 0.00 -1.45 0.00 0.00 42.92 40.10 2pou s ASP 180 CO 0.18 -0.66 1.63 -0.81 0.13 0.00 0.00 175.17 175.64 2pou n PRO 181 N 5.50 0.14 0.28 4.34 -0.04 -1.26 -2.28 135.00 141.68 2pou n PRO 181 Ca -0.10 0.56 0.13 0.00 -0.04 0.00 0.00 63.50 64.05 2pou n PRO 181 Cb 0.45 -1.89 0.80 0.00 -0.04 0.00 0.00 33.50 32.82 2pou n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pou h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.92 -1.66 114.38 114.42 2pou h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2pou h ARG 182 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2pou h ARG 182 CO 0.00 0.07 0.00 0.41 -1.07 0.00 0.00 179.97 179.38 2pou n GLY 183 N -0.98 -0.83 0.48 0.04 0.00 -0.97 -2.77 105.19 100.16 2pou n GLY 183 Ca -0.02 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 45.93 2pou n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pou n LEU 184 N -0.88 2.10 -4.81 0.99 4.77 -0.62 -4.04 117.00 114.51 2pou n LEU 184 Ca 0.15 -1.18 -0.38 0.00 -0.03 0.00 0.00 56.01 54.58 2pou n LEU 184 Cb 0.07 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 2pou n LEU 184 CO 0.11 0.43 0.12 -0.76 -1.33 0.00 0.00 177.39 175.97 2pou s LEU 185 N -0.94 4.44 0.98 2.23 1.43 -1.11 -4.93 118.68 120.77 2pou s LEU 185 Ca 0.15 0.94 -0.14 0.00 -1.03 0.00 0.00 54.13 54.05 2pou s LEU 185 Cb 0.10 -2.62 0.18 0.00 0.03 0.00 0.00 46.19 43.88 2pou s LEU 185 CO 0.14 0.26 1.16 -2.16 0.23 0.00 0.00 176.35 175.98 2pou s PRO 186 N -0.73 0.60 0.08 1.29 0.04 -1.26 -4.97 135.00 130.04 2pou s PRO 186 Ca 0.24 0.14 -0.26 0.00 0.04 0.00 0.00 61.00 61.16 2pou s PRO 186 Cb -0.16 -1.79 -0.16 0.00 0.04 0.00 0.00 34.50 32.42 2pou s PRO 186 CO 0.13 -2.53 1.66 0.93 0.04 0.00 0.00 177.00 177.23 2pou h GLU 187 N -1.74 -0.25 -6.46 4.56 5.08 -1.92 -3.44 114.58 110.41 2pou h GLU 187 Ca -0.49 0.02 -0.53 0.00 -1.00 0.00 0.00 59.36 57.35 2pou h GLU 187 Cb 1.31 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.59 2pou h GLU 187 CO 0.53 -0.14 -0.06 0.45 -1.00 0.00 0.00 179.01 178.80 2pou s SER 188 N -5.00 6.73 -0.07 1.42 0.15 -1.26 -4.99 113.70 110.69 2pou s SER 188 Ca -0.14 1.05 0.16 0.00 0.70 0.00 0.00 55.95 57.72 2pou s SER 188 Cb 0.05 -2.28 0.51 0.00 -1.71 0.00 0.00 66.02 62.59 2pou s SER 188 CO 0.64 -0.04 1.43 0.18 1.20 0.00 0.00 173.24 176.66 2pou n LEU 189 N 0.13 3.79 -4.71 3.45 4.77 -1.26 -4.72 117.00 118.44 2pou n LEU 189 Ca -0.01 -2.33 -0.43 0.00 -0.03 0.00 0.00 56.01 53.22 2pou n LEU 189 Cb 0.52 -0.43 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 2pou n LEU 189 CO 0.44 0.78 1.02 0.47 -1.33 0.00 0.00 177.39 178.76 2pou n ASP 190 N 0.64 3.11 -4.02 -1.43 10.43 -1.26 -4.90 116.55 119.11 2pou n ASP 190 Ca 0.19 1.19 -0.09 0.00 2.57 0.00 0.00 54.79 58.65 2pou n ASP 190 Cb 0.68 -1.51 -0.06 0.00 1.84 0.00 0.00 41.12 42.07 2pou n ASP 190 CO 0.00 0.00 0.00 -0.72 -1.07 0.00 0.00 177.20 175.41 2pou s TYR 191 N -0.69 0.45 0.05 1.24 -0.85 -1.26 -1.47 117.35 114.82 2pou s TYR 191 Ca 0.59 -0.79 0.08 0.00 -0.52 0.00 0.00 57.07 56.43 2pou s TYR 191 Cb -0.56 0.11 -0.03 0.00 0.38 0.00 0.00 41.96 41.86 2pou s TYR 191 CO 0.57 -0.95 -0.21 -1.58 -1.52 0.00 0.00 175.55 171.86 2pou s TRP 192 N -4.03 2.46 0.01 -3.49 0.51 -0.04 -0.92 118.94 113.44 2pou s TRP 192 Ca 0.24 -0.32 -0.00 0.00 -2.12 0.00 0.00 56.10 53.90 2pou s TRP 192 Cb 0.00 -1.42 -0.01 0.00 -0.81 0.00 0.00 33.47 31.23 2pou s TRP 192 CO 0.09 0.23 -0.01 -0.08 -0.51 0.00 0.00 176.95 176.67 2pou s THR 193 N -0.91 0.07 0.07 2.01 -1.32 0.63 -0.82 115.64 115.36 2pou s THR 193 Ca 0.14 -0.57 -0.26 0.00 -1.21 0.00 0.00 61.69 59.79 2pou s THR 193 Cb -0.10 -0.17 0.08 0.00 -1.51 0.00 0.00 72.50 70.80 2pou s THR 193 CO 0.05 -0.31 0.72 -0.72 -2.21 0.00 0.00 174.62 172.15 2pou s TYR 194 N -0.91 -0.48 -0.10 9.09 -0.85 -0.99 -1.18 117.35 121.93 2pou s TYR 194 Ca -0.10 0.40 -0.28 0.00 -0.52 0.00 0.00 57.07 56.57 2pou s TYR 194 Cb -0.06 0.53 -0.02 0.00 0.38 0.00 0.00 41.96 42.79 2pou s TYR 194 CO -0.01 -0.70 0.92 -1.25 -1.52 0.00 0.00 175.55 173.00 2pou s PRO 195 N -3.11 4.42 0.00 -3.49 0.04 -1.26 -1.18 135.00 130.43 2pou s PRO 195 Ca 0.01 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.29 2pou s PRO 195 Cb -0.01 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 31.01 2pou s PRO 195 CO -0.08 -0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.15 2pou n GLY 196 N 3.15 5.09 3.39 0.56 0.00 0.93 -4.81 105.19 113.50 2pou n GLY 196 Ca 0.06 -0.87 -0.18 0.00 0.00 0.00 0.00 46.02 45.03 2pou n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pou s SER 197 N 1.23 1.42 0.39 1.61 1.04 -1.12 -2.52 113.70 115.75 2pou s SER 197 Ca 0.00 -1.67 -0.26 0.00 0.48 0.00 0.00 55.95 54.51 2pou s SER 197 Cb 0.00 0.63 -0.09 0.00 0.10 0.00 0.00 66.02 66.66 2pou s SER 197 CO 0.00 -1.21 1.18 -0.76 0.98 0.00 0.00 173.24 173.43 2pou s LEU 198 N -3.33 4.22 0.00 2.42 1.02 -0.36 -4.47 118.68 118.19 2pou s LEU 198 Ca 0.36 2.38 0.27 0.00 0.02 0.00 0.00 54.13 57.15 2pou s LEU 198 Cb 0.01 -3.98 0.82 0.00 0.02 0.00 0.00 46.19 43.06 2pou s LEU 198 CO 0.25 -0.66 1.61 0.35 0.02 0.00 0.00 176.35 177.92 2pou n THR 199 N 0.16 0.00 -4.37 5.49 -2.24 -1.26 -4.36 114.28 107.69 2pou n THR 199 Ca 0.04 -0.22 -0.23 0.00 -2.27 0.00 0.00 64.05 61.37 2pou n THR 199 Cb 0.46 0.56 -0.11 0.00 -2.10 0.00 0.00 70.33 69.14 2pou n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2pou s THR 200 N -2.23 2.00 0.58 4.28 -4.23 -1.26 -4.73 115.64 110.05 2pou s THR 200 Ca 0.31 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.63 2pou s THR 200 Cb 0.20 -1.96 -0.06 0.00 1.34 0.00 0.00 72.50 72.02 2pou s THR 200 CO 0.42 -0.29 0.89 -2.65 -0.54 0.00 0.00 174.62 172.45 2pou n PRO 201 N 0.18 0.87 0.00 3.99 -0.02 -1.26 -0.56 135.00 138.20 2pou n PRO 201 Ca -0.12 0.34 0.03 0.00 -2.02 0.00 0.00 63.50 61.73 2pou n PRO 201 Cb 0.57 -2.06 0.20 0.00 -0.02 0.00 0.00 33.50 32.18 2pou n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2pou n PRO 202 N -0.70 0.64 -2.51 0.52 -0.04 -1.26 -4.98 135.00 126.67 2pou n PRO 202 Ca 0.13 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.42 2pou n PRO 202 Cb 0.46 -1.16 -0.00 0.00 -0.04 0.00 0.00 33.50 32.76 2pou n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2pou n LEU 203 N -0.66 -1.55 -4.76 1.53 4.77 0.27 -4.90 117.00 111.70 2pou n LEU 203 Ca 0.05 0.06 -0.41 0.00 -0.03 0.00 0.00 56.01 55.68 2pou n LEU 203 Cb 0.02 -2.49 -0.01 0.00 -2.33 0.00 0.00 43.42 38.62 2pou n LEU 203 CO 0.04 -0.13 1.16 0.18 -1.33 0.00 0.00 177.39 177.31 2pou n LEU 204 N -3.00 4.52 -3.89 2.23 4.77 -1.26 -4.34 117.00 116.02 2pou n LEU 204 Ca -0.17 1.19 -0.43 0.00 -0.03 0.00 0.00 56.01 56.57 2pou n LEU 204 Cb 0.64 -1.60 0.01 0.00 -2.33 0.00 0.00 43.42 40.13 2pou n LEU 204 CO 0.25 0.11 1.82 -0.62 -1.33 0.00 0.00 177.39 177.62 2pou n GLU 205 N 1.15 3.76 -0.13 3.23 1.02 -1.26 -1.22 120.64 127.19 2pou n GLU 205 Ca 0.04 -3.69 0.03 0.00 -0.02 0.00 0.00 57.16 53.52 2pou n GLU 205 Cb 0.38 -2.86 0.04 0.00 -0.02 0.00 0.00 31.44 28.98 2pou n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pou s VAL 207 N -1.16 3.59 -0.36 0.00 1.01 -1.05 -0.77 120.40 121.65 2pou s VAL 207 Ca 0.10 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 61.46 2pou s VAL 207 Cb 0.09 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.98 2pou s VAL 207 CO 0.01 0.56 0.22 -0.89 0.00 0.00 0.00 175.10 175.00 2pou s THR 208 N -0.31 4.86 0.03 3.92 2.01 0.03 -0.05 115.64 126.13 2pou s THR 208 Ca 0.04 -0.59 -0.23 0.00 0.31 0.00 0.00 61.69 61.23 2pou s THR 208 Cb -0.13 -3.61 -0.06 0.00 0.01 0.00 0.00 72.50 68.72 2pou s THR 208 CO 0.02 -0.13 0.69 0.26 -0.69 0.00 0.00 174.62 174.77 2pou s TRP 209 N 1.63 3.72 -0.28 4.92 0.52 -0.32 -2.15 118.94 126.99 2pou s TRP 209 Ca 0.04 1.36 -0.01 0.00 0.02 0.00 0.00 56.10 57.51 2pou s TRP 209 Cb -0.18 -2.72 0.09 0.00 -1.15 0.00 0.00 33.47 29.51 2pou s TRP 209 CO 0.08 0.33 0.06 0.42 0.02 0.00 0.00 176.95 177.86 2pou s ILE 210 N -0.20 1.01 -0.26 2.03 1.01 -0.74 -2.34 121.20 121.71 2pou s ILE 210 Ca 0.35 -1.27 -0.08 0.00 0.00 0.00 0.00 60.65 59.65 2pou s ILE 210 Cb -0.20 -1.63 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 2pou s ILE 210 CO 0.20 -0.49 0.09 -0.69 0.00 0.00 0.00 174.94 174.05 2pou s VAL 211 N 1.58 4.42 0.29 2.92 1.01 0.00 -0.12 120.40 130.51 2pou s VAL 211 Ca 0.05 -0.16 -0.29 0.00 0.00 0.00 0.00 61.98 61.59 2pou s VAL 211 Cb -0.18 -3.08 -0.10 0.00 0.00 0.00 0.00 36.38 33.02 2pou s VAL 211 CO -0.18 0.31 1.15 -0.76 0.00 0.00 0.00 175.10 175.63 2pou s LEU 212 N 1.63 4.52 0.14 3.92 1.43 0.10 -0.86 118.68 129.56 2pou s LEU 212 Ca 0.06 2.38 -0.07 0.00 -1.03 0.00 0.00 54.13 55.48 2pou s LEU 212 Cb -0.15 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 2pou s LEU 212 CO 0.04 -0.25 1.37 0.50 0.23 0.00 0.00 176.35 178.25 2pou h LYS 213 N 3.68 0.59 -5.85 1.70 3.64 -1.59 -3.42 116.57 115.32 2pou h LYS 213 Ca -0.47 -0.48 -0.59 0.00 -1.27 0.00 0.00 60.65 57.83 2pou h LYS 213 Cb 1.22 0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 33.06 2pou h LYS 213 CO 0.66 1.11 0.47 -2.00 -2.27 0.00 0.00 179.45 177.42 2pou s GLU 214 N -3.68 4.22 0.59 1.90 2.12 -1.26 -4.99 118.70 117.59 2pou s GLU 214 Ca -0.08 0.99 -0.09 0.00 0.36 0.00 0.00 54.97 56.15 2pou s GLU 214 Cb 0.10 -3.63 -0.03 0.00 0.26 0.00 0.00 34.13 30.83 2pou s GLU 214 CO 0.87 -0.48 0.97 -1.25 -0.54 0.00 0.00 175.26 174.83 2pou s PRO 215 N 2.68 3.46 0.14 4.30 0.04 -1.26 -4.62 135.00 139.74 2pou s PRO 215 Ca 0.36 0.53 0.03 0.00 0.04 0.00 0.00 61.00 61.97 2pou s PRO 215 Cb -0.16 -2.16 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 2pou s PRO 215 CO 0.08 -0.53 0.22 0.96 0.04 0.00 0.00 177.00 177.77 2pou s ILE 216 N -3.08 5.06 -0.14 0.56 -4.36 0.29 -4.89 121.20 114.64 2pou s ILE 216 Ca 0.53 -0.76 -0.06 0.00 -0.26 0.00 0.00 60.65 60.10 2pou s ILE 216 Cb -0.11 -3.58 -0.04 0.00 1.25 0.00 0.00 42.46 39.99 2pou s ILE 216 CO 0.51 -0.05 0.09 -0.44 0.24 0.00 0.00 174.94 175.29 2pou s SER 217 N -3.06 5.93 0.13 4.36 0.01 -1.26 -1.32 113.70 118.50 2pou s SER 217 Ca 0.33 0.27 0.06 0.00 1.31 0.00 0.00 55.95 57.93 2pou s SER 217 Cb -0.11 -1.92 -0.04 0.00 0.21 0.00 0.00 66.02 64.16 2pou s SER 217 CO 0.27 0.31 -0.15 0.68 0.41 0.00 0.00 173.24 174.76 2pou s VAL 218 N -0.46 1.40 0.60 3.43 -7.23 -0.06 -3.23 120.40 114.85 2pou s VAL 218 Ca 0.11 -1.75 -0.11 0.00 -1.81 0.00 0.00 61.98 58.42 2pou s VAL 218 Cb -0.12 -1.58 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 2pou s VAL 218 CO 0.02 -0.40 1.01 -0.94 -0.31 0.00 0.00 175.10 174.47 2pou s SER 219 N -2.49 6.26 0.30 4.85 1.04 -1.15 -0.60 113.70 121.91 2pou s SER 219 Ca 0.10 1.39 -0.01 0.00 0.48 0.00 0.00 55.95 57.91 2pou s SER 219 Cb -0.05 -2.45 0.47 0.00 0.10 0.00 0.00 66.02 64.09 2pou s SER 219 CO 0.03 -0.82 1.93 -1.28 0.98 0.00 0.00 173.24 174.09 2pou h SER 220 N -0.17 0.95 -0.59 7.02 0.87 -1.93 -1.55 113.55 118.15 2pou h SER 220 Ca -0.44 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.07 2pou h SER 220 Cb 1.19 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.91 2pou h SER 220 CO 0.62 0.64 0.22 -0.33 -0.53 0.00 0.00 176.83 177.45 2pou h GLU 221 N 1.09 0.92 -0.05 2.24 3.07 -1.95 0.01 114.58 119.92 2pou h GLU 221 Ca 0.36 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 59.05 2pou h GLU 221 Cb 0.05 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 27.81 2pou h GLU 221 CO -0.11 0.77 -0.01 1.96 -1.40 0.00 0.00 179.01 180.23 2pou h GLN 222 N 0.90 0.10 -0.01 2.33 4.20 -1.67 -2.62 115.11 118.33 2pou h GLN 222 Ca 0.21 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.79 2pou h GLN 222 Cb 0.22 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 2pou h GLN 222 CO -0.01 0.41 -0.42 -0.24 -0.67 0.00 0.00 178.83 177.90 2pou h VAL 223 N -0.23 1.30 -0.38 -0.54 3.04 -1.29 -2.45 116.25 115.70 2pou h VAL 223 Ca 0.01 -1.44 -0.03 0.00 -1.01 0.00 0.00 66.70 64.24 2pou h VAL 223 Cb 0.37 1.76 -0.02 0.00 -2.01 0.00 0.00 31.29 31.40 2pou h VAL 223 CO 0.00 0.41 0.11 -0.07 -1.01 0.00 0.00 177.57 177.01 2pou h LEU 224 N 0.02 0.50 -0.89 3.16 3.38 -0.88 -1.50 115.31 119.09 2pou h LEU 224 Ca -0.00 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 2pou h LEU 224 Cb 0.74 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2pou h LEU 224 CO 0.05 0.49 -0.55 0.11 0.09 0.00 0.00 178.44 178.63 2pou h LYS 225 N 0.54 0.00 -0.62 1.13 1.57 -1.06 -2.49 116.57 115.64 2pou h LYS 225 Ca 0.13 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2pou h LYS 225 Cb 0.18 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 2pou h LYS 225 CO -0.01 0.55 0.38 0.74 -0.57 0.00 0.00 179.45 180.55 2pou h PHE 226 N 0.00 0.81 0.00 -1.35 -1.00 -1.15 -2.13 116.94 112.12 2pou h PHE 226 Ca -0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2pou h PHE 226 Cb 0.98 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 40.27 2pou h PHE 226 CO 0.00 0.54 0.00 0.54 -1.61 0.00 0.00 178.31 177.78 2pou n ARG 227 N -4.62 0.31 0.00 1.51 1.74 -0.93 -2.39 116.66 112.29 2pou n ARG 227 Ca 0.05 0.10 0.12 0.00 -0.77 0.00 0.00 57.85 57.35 2pou n ARG 227 Cb 0.05 -1.50 0.28 0.00 -1.02 0.00 0.00 32.46 30.27 2pou n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2pou n LYS 228 N -1.21 0.33 -1.09 5.56 5.02 -0.80 -4.39 118.16 121.59 2pou n LYS 228 Ca 0.09 -0.20 -0.30 0.00 -2.02 0.00 0.00 58.31 55.88 2pou n LYS 228 Cb 0.11 -1.50 0.13 0.00 -0.02 0.00 0.00 35.03 33.76 2pou n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2pou s LEU 229 N -2.81 2.60 -0.01 -0.35 1.43 -1.00 -4.85 118.68 113.69 2pou s LEU 229 Ca 0.16 1.76 0.06 0.00 -1.03 0.00 0.00 54.13 55.09 2pou s LEU 229 Cb 0.18 -4.25 -0.03 0.00 0.03 0.00 0.00 46.19 42.12 2pou s LEU 229 CO 0.64 -2.59 -0.20 0.20 0.23 0.00 0.00 176.35 174.63 2pou s ASN 230 N -3.21 3.61 0.11 2.29 0.02 0.12 -0.18 114.94 117.70 2pou s ASN 230 Ca 0.63 -0.37 -0.03 0.00 -1.02 0.00 0.00 52.86 52.07 2pou s ASN 230 Cb -0.19 -0.59 -0.16 0.00 0.02 0.00 0.00 41.25 40.33 2pou s ASN 230 CO 0.57 0.31 1.25 -0.26 0.02 0.00 0.00 177.10 178.98 2pou h PHE 231 N 5.11 0.50 -4.38 2.20 0.05 -1.08 -3.35 116.94 115.99 2pou h PHE 231 Ca -0.46 -0.31 -0.48 0.00 3.82 0.00 0.00 57.97 60.53 2pou h PHE 231 Cb 1.14 -0.04 0.10 0.00 2.00 0.00 0.00 35.95 39.15 2pou h PHE 231 CO 0.48 1.18 0.37 0.54 -0.18 0.00 0.00 178.31 180.69 2pou s ASN 232 N -7.08 4.69 0.62 2.17 4.22 -1.26 -4.39 114.94 113.91 2pou s ASN 232 Ca -0.04 1.15 -0.03 0.00 -2.14 0.00 0.00 52.86 51.80 2pou s ASN 232 Cb 0.08 -1.87 0.04 0.00 1.28 0.00 0.00 41.25 40.79 2pou s ASN 232 CO 0.87 -1.82 0.89 -0.83 -2.04 0.00 0.00 177.10 174.16 2pou s GLY 233 N -4.14 1.74 0.32 0.45 0.00 -1.26 -0.60 107.32 103.82 2pou s GLY 233 Ca 0.60 -1.09 -0.29 0.00 0.00 0.00 0.00 44.72 43.95 2pou s GLY 233 CO 0.53 -0.75 1.29 -2.21 0.00 0.00 0.00 173.10 171.95 2pou n GLU 234 N -2.61 2.04 -3.13 2.90 2.13 -1.26 -2.66 120.64 118.05 2pou n GLU 234 Ca 0.07 0.72 -0.14 0.00 0.66 0.00 0.00 57.16 58.47 2pou n GLU 234 Cb 0.60 -2.29 0.05 0.00 0.27 0.00 0.00 31.44 30.06 2pou n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2pou n GLY 235 N 1.09 0.07 3.14 8.31 0.00 -1.26 -5.04 105.19 111.49 2pou n GLY 235 Ca 0.06 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 2pou n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pou s GLU 236 N -5.73 0.83 0.12 1.61 2.02 -1.09 -5.11 118.70 111.35 2pou s GLU 236 Ca 0.33 -1.37 -0.34 0.00 0.02 0.00 0.00 54.97 53.61 2pou s GLU 236 Cb -0.15 0.14 -0.14 0.00 0.10 0.00 0.00 34.13 34.09 2pou s GLU 236 CO 0.43 -0.18 1.60 -2.30 0.02 0.00 0.00 175.26 174.84 2pou n PRO 237 N -0.04 2.10 -2.26 0.39 -0.02 -1.26 -4.86 135.00 129.05 2pou n PRO 237 Ca -0.09 0.76 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 2pou n PRO 237 Cb 0.62 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 2pou n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2pou s GLU 238 N 1.30 4.26 -0.23 -0.52 2.12 -1.26 -4.72 118.70 119.65 2pou s GLU 238 Ca 0.81 1.89 0.01 0.00 0.36 0.00 0.00 54.97 58.04 2pou s GLU 238 Cb -0.70 -3.71 0.06 0.00 0.26 0.00 0.00 34.13 30.04 2pou s GLU 238 CO 0.40 -0.65 -0.07 -1.21 -0.54 0.00 0.00 175.26 173.19 2pou s GLU 239 N 3.02 1.77 0.29 4.30 2.02 -1.26 -5.05 118.70 123.79 2pou s GLU 239 Ca 0.62 -1.00 -0.30 0.00 0.02 0.00 0.00 54.97 54.31 2pou s GLU 239 Cb -0.28 -2.59 -0.11 0.00 0.10 0.00 0.00 34.13 31.25 2pou s GLU 239 CO 0.23 -0.56 1.56 -0.51 0.02 0.00 0.00 175.26 176.00 2pou s LEU 240 N 1.36 4.35 -0.92 1.80 1.43 -1.26 -0.55 118.68 124.89 2pou s LEU 240 Ca -0.05 2.92 -0.24 0.00 -1.03 0.00 0.00 54.13 55.72 2pou s LEU 240 Cb -0.18 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.43 2pou s LEU 240 CO -0.06 -0.88 1.46 -0.32 0.23 0.00 0.00 176.35 176.78 2pou s MET 241 N -0.63 3.37 0.05 1.70 -2.45 0.74 -4.63 119.30 117.46 2pou s MET 241 Ca 0.62 -0.77 -0.04 0.00 -1.25 0.00 0.00 55.69 54.25 2pou s MET 241 Cb -0.47 -5.00 -0.02 0.00 1.25 0.00 0.00 34.83 30.60 2pou s MET 241 CO 0.49 -2.30 0.06 0.14 1.05 0.00 0.00 175.02 174.45 2pou s VAL 242 N 5.72 0.16 -1.30 10.11 -7.23 -1.26 -4.44 120.40 122.16 2pou s VAL 242 Ca 0.46 -1.33 -0.02 0.00 -1.81 0.00 0.00 61.98 59.27 2pou s VAL 242 Cb -0.03 -1.14 0.01 0.00 0.56 0.00 0.00 36.38 35.78 2pou s VAL 242 CO -0.02 -0.74 0.87 0.47 -0.31 0.00 0.00 175.10 175.37 2pou n ASP 243 N 0.45 -2.25 -2.48 4.85 10.43 -0.05 -4.85 116.55 122.65 2pou n ASP 243 Ca -0.17 -0.73 -0.32 0.00 2.57 0.00 0.00 54.79 56.15 2pou n ASP 243 Cb 0.60 -4.46 0.03 0.00 1.84 0.00 0.00 41.12 39.13 2pou n ASP 243 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 2pou n ASN 244 N -3.05 7.18 -4.41 -2.24 0.23 -1.09 -4.89 115.26 106.98 2pou n ASN 244 Ca -0.24 -3.55 -0.30 0.00 -0.53 0.00 0.00 54.58 49.96 2pou n ASN 244 Cb 0.65 -1.08 -0.13 0.00 -2.08 0.00 0.00 39.78 37.14 2pou n ASN 244 CO 0.00 0.00 0.00 -1.66 -0.93 0.00 0.00 177.26 174.67 2pou s TRP 245 N -3.10 2.43 -0.08 -2.53 1.48 -1.26 -4.64 118.94 111.23 2pou s TRP 245 Ca 0.54 -0.34 -0.12 0.00 -1.06 0.00 0.00 56.10 55.13 2pou s TRP 245 Cb 0.41 -1.39 -0.05 0.00 -1.16 0.00 0.00 33.47 31.29 2pou s TRP 245 CO -0.19 0.23 0.28 0.50 -4.06 0.00 0.00 176.95 173.72 2pou s ARG 246 N -1.54 3.83 0.82 3.25 3.52 -1.26 -4.97 118.95 122.59 2pou s ARG 246 Ca 0.14 0.13 -0.11 0.00 -0.13 0.00 0.00 55.73 55.75 2pou s ARG 246 Cb -0.10 -3.26 0.08 0.00 -1.56 0.00 0.00 34.95 30.11 2pou s ARG 246 CO 0.05 0.61 1.09 -1.25 -0.81 0.00 0.00 175.30 174.99 2pou s PRO 247 N -0.67 1.89 0.30 5.12 0.04 -1.26 -4.59 135.00 135.83 2pou s PRO 247 Ca 0.19 0.72 -0.29 0.00 0.04 0.00 0.00 61.00 61.65 2pou s PRO 247 Cb -0.14 -1.89 -0.13 0.00 0.04 0.00 0.00 34.50 32.38 2pou s PRO 247 CO 0.07 -1.77 1.32 0.00 0.04 0.00 0.00 177.00 176.66 2pou n ALA 248 N -3.55 1.16 -2.58 8.56 0.00 -1.26 -4.35 120.51 118.49 2pou n ALA 248 Ca 0.07 0.38 -0.22 0.00 0.00 0.00 0.00 53.44 53.67 2pou n ALA 248 Cb 0.56 -2.25 -0.05 0.00 0.00 0.00 0.00 19.45 17.71 2pou n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2pou s GLN 249 N -1.33 2.56 0.23 0.00 -1.52 0.77 -4.93 119.66 115.43 2pou s GLN 249 Ca 0.60 -1.37 -0.32 0.00 -1.95 0.00 0.00 55.36 52.32 2pou s GLN 249 Cb -0.60 -2.33 -0.13 0.00 -0.22 0.00 0.00 33.01 29.73 2pou s GLN 249 CO 0.58 0.19 1.57 -2.30 -0.25 0.00 0.00 175.29 175.07 2pou n PRO 250 N -1.19 2.40 0.18 2.91 -0.02 -1.26 -4.57 135.00 133.45 2pou n PRO 250 Ca -0.04 0.86 0.03 0.00 -2.02 0.00 0.00 63.50 62.33 2pou n PRO 250 Cb 0.60 -2.62 0.35 0.00 -0.02 0.00 0.00 33.50 31.81 2pou n PRO 250 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2pou h LEU 251 N 5.33 0.00 -1.63 2.45 5.85 -1.95 -3.43 115.31 121.94 2pou h LEU 251 Ca -0.45 0.00 -0.44 0.00 0.84 0.00 0.00 57.88 57.82 2pou h LEU 251 Cb 1.24 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.29 2pou h LEU 251 CO 0.84 0.40 -0.82 0.29 -0.34 0.00 0.00 178.44 178.80 2pou n LYS 252 N -4.00 -4.77 0.00 1.25 4.76 -1.26 -2.17 118.16 111.97 2pou n LYS 252 Ca -0.02 0.58 0.00 0.00 -2.87 0.00 0.00 58.31 56.00 2pou n LYS 252 Cb 0.43 -5.14 0.00 0.00 -1.84 0.00 0.00 35.03 28.48 2pou n LYS 252 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2pou n ASN 253 N -2.99 0.00 -4.47 4.39 3.02 -1.26 -4.99 115.26 108.96 2pou n ASN 253 Ca -0.23 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.00 2pou n ASN 253 Cb 0.65 -0.38 0.13 0.00 -0.61 0.00 0.00 39.78 39.57 2pou n ASN 253 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2pou n ARG 254 N -1.93 -0.38 -5.20 3.52 1.74 -0.92 -4.99 116.66 108.50 2pou n ARG 254 Ca 0.00 -0.06 -0.32 0.00 -0.77 0.00 0.00 57.85 56.70 2pou n ARG 254 Cb 0.00 -1.97 -0.17 0.00 -1.02 0.00 0.00 32.46 29.31 2pou n ARG 254 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2pou s GLN 255 N -3.85 3.00 -0.20 5.56 -0.21 -1.26 -5.04 119.66 117.67 2pou s GLN 255 Ca 0.59 -0.87 -0.17 0.00 0.02 0.00 0.00 55.36 54.92 2pou s GLN 255 Cb -0.21 -2.30 -0.04 0.00 1.00 0.00 0.00 33.01 31.46 2pou s GLN 255 CO 0.65 0.21 0.47 0.42 -2.12 0.00 0.00 175.29 174.92 2pou s ILE 256 N 0.27 5.15 -0.02 1.08 1.01 -1.26 -4.71 121.20 122.72 2pou s ILE 256 Ca -0.16 0.85 -0.03 0.00 0.00 0.00 0.00 60.65 61.31 2pou s ILE 256 Cb -0.17 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 2pou s ILE 256 CO 0.08 0.22 0.16 -0.54 0.00 0.00 0.00 174.94 174.85 2pou s LYS 257 N 1.44 3.35 -0.00 2.79 -0.14 -0.33 -2.32 119.74 124.54 2pou s LYS 257 Ca 0.22 -0.34 0.03 0.00 -1.36 0.00 0.00 55.97 54.52 2pou s LYS 257 Cb -0.15 -3.05 -0.03 0.00 -1.68 0.00 0.00 37.83 32.92 2pou s LYS 257 CO 0.09 0.68 -0.08 0.00 -0.76 0.00 0.00 175.35 175.27 2pou s ALA 258 N -1.27 2.94 -1.88 5.17 0.00 -0.19 -0.27 121.76 126.26 2pou s ALA 258 Ca 0.25 -1.03 0.27 0.00 0.00 0.00 0.00 51.96 51.45 2pou s ALA 258 Cb -0.12 -1.08 0.82 0.00 0.00 0.00 0.00 23.12 22.73 2pou s ALA 258 CO 0.16 0.60 1.60 -1.13 0.00 0.00 0.00 175.76 177.00 2pou n SER 259 N 1.66 1.10 -4.24 0.00 3.41 -0.10 -1.13 113.62 114.32 2pou n SER 259 Ca -0.16 -0.99 -0.24 0.00 -0.26 0.00 0.00 58.87 57.22 2pou n SER 259 Cb 0.52 0.11 -0.09 0.00 -0.26 0.00 0.00 64.21 64.49 2pou n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2pou s PHE 260 N -2.41 1.82 -0.80 7.33 -0.71 -1.26 -4.89 117.98 117.06 2pou s PHE 260 Ca 0.27 -1.18 0.06 0.00 -1.04 0.00 0.00 56.93 55.04 2pou s PHE 260 Cb 0.20 -1.19 0.05 0.00 -1.21 0.00 0.00 43.02 40.86 2pou s PHE 260 CO 0.49 -0.20 0.70 1.63 -1.34 0.00 0.00 175.22 176.49