#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ro5 n SER 398 N 0.00 0.00 -4.80 1.61 7.64 -1.26 -4.96 113.62 111.85 1ro5 n SER 398 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.65 1ro5 n SER 398 Cb 0.00 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.28 1ro5 n SER 398 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 1ro5 s HIS 399 N 0.00 2.05 -0.06 1.43 -0.00 -1.26 -4.92 115.29 112.52 1ro5 s HIS 399 Ca 0.00 -0.18 -0.18 0.00 -0.00 0.00 0.00 55.06 54.69 1ro5 s HIS 399 Cb 0.00 -2.88 -0.05 0.00 -0.00 0.00 0.00 32.58 29.65 1ro5 s HIS 399 CO 0.00 -1.39 0.50 -1.64 -0.00 0.00 0.00 174.74 172.21 1ro5 s MET 1 N -5.00 4.26 -0.11 -0.38 1.00 -1.26 -4.53 119.30 113.29 1ro5 s MET 1 Ca 0.63 0.52 0.01 0.00 0.00 0.00 0.00 55.69 56.85 1ro5 s MET 1 Cb -0.07 -3.37 -0.02 0.00 0.00 0.00 0.00 34.83 31.37 1ro5 s MET 1 CO 0.42 0.31 -0.14 0.42 0.00 0.00 0.00 175.02 176.03 1ro5 s ILE 2 N 0.10 2.98 -0.17 2.53 1.01 -0.66 -4.97 121.20 122.02 1ro5 s ILE 2 Ca 0.27 -0.70 -0.00 0.00 0.00 0.00 0.00 60.65 60.21 1ro5 s ILE 2 Cb -0.16 -2.22 0.00 0.00 0.01 0.00 0.00 42.46 40.09 1ro5 s ILE 2 CO 0.13 0.54 -0.15 -0.69 0.00 0.00 0.00 174.94 174.77 1ro5 s VAL 3 N 0.07 2.64 -0.08 2.92 1.01 -1.26 0.99 120.40 126.69 1ro5 s VAL 3 Ca -0.06 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1ro5 s VAL 3 Cb -0.15 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 1ro5 s VAL 3 CO 0.05 0.51 -0.11 -1.10 0.00 0.00 0.00 175.10 174.45 1ro5 s GLN 4 N 1.01 2.81 -0.09 2.72 -0.21 -0.10 -4.99 119.66 120.81 1ro5 s GLN 4 Ca -0.02 -0.63 0.01 0.00 0.02 0.00 0.00 55.36 54.74 1ro5 s GLN 4 Cb -0.15 -2.53 0.02 0.00 1.00 0.00 0.00 33.01 31.35 1ro5 s GLN 4 CO -0.03 0.55 -0.09 0.42 -2.12 0.00 0.00 175.29 174.02 1ro5 s ILE 5 N -0.52 1.01 0.07 1.08 1.01 -1.26 -1.34 121.20 121.25 1ro5 s ILE 5 Ca 0.07 -0.33 -0.27 0.00 0.00 0.00 0.00 60.65 60.13 1ro5 s ILE 5 Cb -0.12 -0.99 0.09 0.00 0.01 0.00 0.00 42.46 41.45 1ro5 s ILE 5 CO 0.02 0.35 1.16 -0.83 0.00 0.00 0.00 174.94 175.64 1ro5 s GLY 6 N 1.31 -0.18 0.52 6.18 0.00 -0.97 -5.01 107.32 109.17 1ro5 s GLY 6 Ca -0.03 0.17 -0.19 0.00 0.00 0.00 0.00 44.72 44.67 1ro5 s GLY 6 CO -0.04 1.91 1.07 0.50 0.00 0.00 0.00 173.10 176.54 1ro5 s ARG 7 N -2.43 3.60 0.20 2.90 0.52 -1.26 -0.81 118.95 121.66 1ro5 s ARG 7 Ca 0.19 1.41 -0.16 0.00 -0.52 0.00 0.00 55.73 56.65 1ro5 s ARG 7 Cb 0.01 -2.06 0.20 0.00 0.52 0.00 0.00 34.95 33.62 1ro5 s ARG 7 CO 0.00 -0.61 1.61 -0.09 0.02 0.00 0.00 175.30 176.23 1ro5 h ARG 8 N 1.29 -0.07 -0.98 3.54 2.43 -1.78 0.48 114.38 119.29 1ro5 h ARG 8 Ca -0.49 0.01 0.22 0.00 -0.81 0.00 0.00 59.98 58.90 1ro5 h ARG 8 Cb 1.23 0.02 -0.12 0.00 -0.42 0.00 0.00 29.97 30.68 1ro5 h ARG 8 CO 0.58 -0.05 0.56 0.93 -1.51 0.00 0.00 179.97 180.48 1ro5 h GLU 9 N -0.08 0.59 0.00 0.20 5.08 -1.92 -2.03 114.58 116.42 1ro5 h GLU 9 Ca 0.28 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1ro5 h GLU 9 Cb 0.52 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1ro5 h GLU 9 CO -0.68 0.39 0.00 0.39 -1.00 0.00 0.00 179.01 178.11 1ro5 n GLU 10 N -4.88 0.17 -4.34 2.33 1.02 0.16 -4.79 120.64 110.33 1ro5 n GLU 10 Ca 0.25 0.08 -0.28 0.00 -0.02 0.00 0.00 57.16 57.18 1ro5 n GLU 10 Cb 0.67 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.48 1ro5 n GLU 10 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1ro5 s PHE 11 N -2.19 2.48 0.09 -0.32 0.40 -0.77 -4.98 117.98 112.69 1ro5 s PHE 11 Ca 0.09 -0.29 -0.31 0.00 -0.60 0.00 0.00 56.93 55.83 1ro5 s PHE 11 Cb 0.05 -1.28 -0.06 0.00 0.51 0.00 0.00 43.02 42.23 1ro5 s PHE 11 CO 0.09 0.43 1.22 -0.51 0.70 0.00 0.00 175.22 177.14 1ro5 s ASP 12 N -2.39 7.06 0.50 1.36 -0.00 -1.26 -4.85 116.67 117.09 1ro5 s ASP 12 Ca 0.19 2.09 0.14 0.00 -0.00 0.00 0.00 52.55 54.98 1ro5 s ASP 12 Cb -0.10 -2.59 0.48 0.00 -0.00 0.00 0.00 42.92 40.71 1ro5 s ASP 12 CO 0.11 -0.46 0.95 0.29 -0.00 0.00 0.00 175.17 176.05 1ro5 n LYS 13 N 3.61 0.02 -0.02 8.23 4.76 -1.26 -0.14 118.16 133.35 1ro5 n LYS 13 Ca 0.08 0.79 -0.21 0.00 -2.87 0.00 0.00 58.31 56.11 1ro5 n LYS 13 Cb 0.46 -2.03 -0.13 0.00 -1.84 0.00 0.00 35.03 31.48 1ro5 n LYS 13 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1ro5 h LYS 14 N 0.00 0.17 -0.68 1.97 1.57 -1.99 -2.60 116.57 115.01 1ro5 h LYS 14 Ca 0.26 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1ro5 h LYS 14 Cb 2.09 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 34.47 1ro5 h LYS 14 CO -0.00 1.14 0.45 -0.07 -0.57 0.00 0.00 179.45 180.40 1ro5 h LEU 15 N -0.51 0.78 -1.26 2.94 3.38 -0.91 -2.05 115.31 117.68 1ro5 h LEU 15 Ca -0.28 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1ro5 h LEU 15 Cb 1.59 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.12 1ro5 h LEU 15 CO -0.00 0.56 0.36 -0.07 0.09 0.00 0.00 178.44 179.37 1ro5 h LEU 16 N 0.92 0.77 -0.47 1.67 3.38 -1.42 0.18 115.31 120.34 1ro5 h LEU 16 Ca 0.25 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 58.01 1ro5 h LEU 16 Cb -0.09 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.46 1ro5 h LEU 16 CO -0.06 0.61 -0.55 1.23 0.09 0.00 0.00 178.44 179.76 1ro5 h GLY 17 N 0.93 0.69 1.41 0.83 0.00 -1.12 -1.51 103.07 104.30 1ro5 h GLY 17 Ca 0.23 -0.80 -0.14 0.00 0.00 0.00 0.00 47.33 46.62 1ro5 h GLY 17 CO -0.04 0.72 -0.38 0.83 0.00 0.00 0.00 176.54 177.67 1ro5 h GLU 18 N 0.48 0.65 -0.29 4.80 5.08 -0.40 -1.69 114.58 123.21 1ro5 h GLU 18 Ca 0.01 -0.33 0.03 0.00 -1.00 0.00 0.00 59.36 58.08 1ro5 h GLU 18 Cb 1.11 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 1ro5 h GLU 18 CO 0.11 0.93 0.10 1.98 -1.00 0.00 0.00 179.01 181.12 1ro5 h MET 19 N 0.54 0.22 0.00 2.33 4.05 -0.71 -0.92 114.93 120.43 1ro5 h MET 19 Ca 0.05 -0.01 -0.14 0.00 -0.28 0.00 0.00 59.70 59.32 1ro5 h MET 19 Cb 0.90 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.63 1ro5 h MET 19 CO 0.08 0.14 -0.65 0.45 0.23 0.00 0.00 176.91 177.16 1ro5 h HIS 20 N 0.22 0.00 -0.21 1.39 3.86 -1.20 0.14 115.15 119.36 1ro5 h HIS 20 Ca 0.13 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.28 1ro5 h HIS 20 Cb 0.10 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 1ro5 h HIS 20 CO -0.13 0.65 -0.07 0.87 0.86 0.00 0.00 177.93 180.11 1ro5 h LYS 21 N 0.00 0.41 -0.70 2.45 1.79 -1.09 0.03 116.57 119.47 1ro5 h LYS 21 Ca -0.01 -0.17 0.07 0.00 -2.18 0.00 0.00 60.65 58.37 1ro5 h LYS 21 Cb 1.18 -0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 31.75 1ro5 h LYS 21 CO 0.08 0.68 0.38 1.25 -1.08 0.00 0.00 179.45 180.77 1ro5 h LEU 22 N 0.12 0.55 -0.97 2.94 5.85 -0.72 0.52 115.31 123.61 1ro5 h LEU 22 Ca 0.05 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 1ro5 h LEU 22 Cb 0.54 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1ro5 h LEU 22 CO 0.03 0.34 0.03 0.03 -0.34 0.00 0.00 178.44 178.52 1ro5 h ARG 23 N 0.69 0.78 -0.71 1.25 3.08 -0.61 -1.58 114.38 117.27 1ro5 h ARG 23 Ca 0.32 -0.19 -0.06 0.00 0.07 0.00 0.00 59.98 60.12 1ro5 h ARG 23 Cb 0.25 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 1ro5 h ARG 23 CO -0.21 0.77 0.20 0.00 -1.07 0.00 0.00 179.97 179.66 1ro5 h ALA 24 N 1.30 0.93 -0.42 0.04 0.00 -0.06 0.26 119.26 121.32 1ro5 h ALA 24 Ca 0.15 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1ro5 h ALA 24 Cb 0.41 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1ro5 h ALA 24 CO 0.01 0.63 0.11 1.96 0.00 0.00 0.00 179.25 181.97 1ro5 h GLN 25 N 1.06 0.61 0.02 0.00 4.20 -0.53 0.77 115.11 121.24 1ro5 h GLN 25 Ca 0.23 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 1ro5 h GLN 25 Cb 0.34 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1ro5 h GLN 25 CO -0.00 0.56 -0.01 0.28 -0.67 0.00 0.00 178.83 178.99 1ro5 h VAL 26 N 0.60 1.46 -0.00 -0.54 2.07 -1.10 -3.39 116.25 115.34 1ro5 h VAL 26 Ca 0.14 -1.93 0.00 0.00 0.82 0.00 0.00 66.70 65.73 1ro5 h VAL 26 Cb 0.22 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1ro5 h VAL 26 CO -0.00 0.47 -0.61 0.49 0.02 0.00 0.00 177.57 177.93 1ro5 n PHE 27 N -4.69 0.00 -1.60 1.57 3.01 0.91 -4.91 117.46 111.74 1ro5 n PHE 27 Ca -0.08 0.00 -0.48 0.00 1.01 0.00 0.00 57.45 57.89 1ro5 n PHE 27 Cb 0.38 -0.09 -0.04 0.00 -0.01 0.00 0.00 39.48 39.72 1ro5 n PHE 27 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 1ro5 n LYS 28 N -1.02 1.40 -0.24 -1.08 2.85 0.26 -1.82 118.16 118.50 1ro5 n LYS 28 Ca 0.07 0.50 0.00 0.00 -1.05 0.00 0.00 58.31 57.83 1ro5 n LYS 28 Cb 0.36 -2.06 0.00 0.00 -0.65 0.00 0.00 35.03 32.69 1ro5 n LYS 28 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1ro5 n GLU 29 N 1.95 -0.96 -1.68 -1.58 1.02 -1.26 -4.92 120.64 113.21 1ro5 n GLU 29 Ca 0.15 0.08 -0.52 0.00 -0.02 0.00 0.00 57.16 56.85 1ro5 n GLU 29 Cb 0.26 -2.68 -0.06 0.00 -0.02 0.00 0.00 31.44 28.94 1ro5 n GLU 29 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ro5 n ARG 30 N 0.18 1.73 -3.35 3.49 1.74 -0.76 -4.96 116.66 114.74 1ro5 n ARG 30 Ca 0.00 0.63 -0.31 0.00 -0.77 0.00 0.00 57.85 57.41 1ro5 n ARG 30 Cb 0.08 -2.40 -0.04 0.00 -1.02 0.00 0.00 32.46 29.08 1ro5 n ARG 30 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1ro5 s LYS 31 N 3.18 3.74 0.00 5.56 -0.14 -1.26 -4.43 119.74 126.40 1ro5 s LYS 31 Ca 0.92 0.20 0.00 0.00 -1.36 0.00 0.00 55.97 55.73 1ro5 s LYS 31 Cb -0.84 -2.63 0.00 0.00 -1.68 0.00 0.00 37.83 32.68 1ro5 s LYS 31 CO 0.54 0.26 0.00 0.41 -0.76 0.00 0.00 175.35 175.80 1ro5 n GLY 32 N -0.49 2.15 1.72 -3.33 0.00 -1.26 -3.59 105.19 100.40 1ro5 n GLY 32 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1ro5 n GLY 32 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ro5 n TRP 33 N -2.00 1.80 -3.85 1.61 7.02 -1.26 -4.79 117.44 115.98 1ro5 n TRP 33 Ca 0.00 -0.64 -0.24 0.00 -1.02 0.00 0.00 57.50 55.60 1ro5 n TRP 33 Cb 0.00 -0.43 0.00 0.00 -2.42 0.00 0.00 31.31 28.46 1ro5 n TRP 33 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1ro5 n ASP 34 N 0.68 -0.84 -4.82 -0.99 -0.08 -1.26 -4.95 116.55 104.29 1ro5 n ASP 34 Ca 0.25 -0.92 -0.38 0.00 -1.51 0.00 0.00 54.79 52.23 1ro5 n ASP 34 Cb 1.06 -3.49 -0.06 0.00 2.34 0.00 0.00 41.12 40.97 1ro5 n ASP 34 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1ro5 s VAL 35 N -3.81 4.78 -0.03 5.18 1.01 -1.26 -5.01 120.40 121.26 1ro5 s VAL 35 Ca 0.03 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.13 1ro5 s VAL 35 Cb -0.02 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.54 1ro5 s VAL 35 CO 0.86 0.49 -0.00 -0.44 0.00 0.00 0.00 175.10 176.01 1ro5 s SER 36 N -1.23 0.48 -0.17 3.32 0.01 -1.26 -5.04 113.70 109.82 1ro5 s SER 36 Ca 0.30 -0.03 -0.01 0.00 1.31 0.00 0.00 55.95 57.53 1ro5 s SER 36 Cb -0.18 -0.24 -0.00 0.00 0.21 0.00 0.00 66.02 65.81 1ro5 s SER 36 CO 0.19 -0.10 -0.13 -0.69 0.41 0.00 0.00 173.24 172.91 1ro5 s VAL 37 N 1.04 2.82 -0.17 3.43 1.01 -1.26 -2.30 120.40 124.97 1ro5 s VAL 37 Ca -0.10 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1ro5 s VAL 37 Cb -0.14 -2.21 0.03 0.00 0.00 0.00 0.00 36.38 34.07 1ro5 s VAL 37 CO -0.02 0.50 -0.11 -0.63 0.00 0.00 0.00 175.10 174.85 1ro5 s ILE 38 N 0.90 1.47 -1.56 2.22 1.09 -0.18 -4.80 121.20 120.34 1ro5 s ILE 38 Ca -0.03 -0.74 -0.14 0.00 -1.10 0.00 0.00 60.65 58.64 1ro5 s ILE 38 Cb -0.15 -1.49 0.10 0.00 -1.06 0.00 0.00 42.46 39.86 1ro5 s ILE 38 CO -0.01 0.29 0.94 -0.67 -0.10 0.00 0.00 174.94 175.39 1ro5 n ASP 39 N 4.77 -4.43 -0.20 3.58 2.03 -1.26 -0.54 116.55 120.50 1ro5 n ASP 39 Ca -0.15 -0.83 -0.03 0.00 0.52 0.00 0.00 54.79 54.31 1ro5 n ASP 39 Cb 0.48 -3.67 -0.01 0.00 -0.72 0.00 0.00 41.12 37.21 1ro5 n ASP 39 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ro5 n GLU 40 N -4.62 -0.59 -5.21 -0.67 1.02 -1.26 -5.00 120.64 104.31 1ro5 n GLU 40 Ca 0.04 0.39 -0.31 0.00 -0.02 0.00 0.00 57.16 57.26 1ro5 n GLU 40 Cb 0.52 -3.99 -0.17 0.00 -0.02 0.00 0.00 31.44 27.78 1ro5 n GLU 40 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1ro5 s MET 41 N -1.40 2.60 -0.33 3.49 -1.94 0.30 -4.25 119.30 117.77 1ro5 s MET 41 Ca 0.00 -0.87 -0.18 0.00 -1.71 0.00 0.00 55.69 52.93 1ro5 s MET 41 Cb 0.00 -2.14 -0.01 0.00 2.01 0.00 0.00 34.83 34.70 1ro5 s MET 41 CO 0.00 0.32 0.53 -2.00 -0.01 0.00 0.00 175.02 173.85 1ro5 s GLU 42 N -0.01 3.74 -0.11 2.03 -6.30 -0.17 -1.01 118.70 116.86 1ro5 s GLU 42 Ca -0.08 -0.02 -0.10 0.00 -2.50 0.00 0.00 54.97 52.28 1ro5 s GLU 42 Cb -0.15 -3.77 0.03 0.00 0.00 0.00 0.00 34.13 30.25 1ro5 s GLU 42 CO 0.05 -0.58 0.30 0.42 0.02 0.00 0.00 175.26 175.46 1ro5 s ILE 43 N 2.41 -0.01 0.10 -3.70 1.01 -0.97 -4.70 121.20 115.34 1ro5 s ILE 43 Ca 0.20 0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.90 1ro5 s ILE 43 Cb -0.15 -0.43 -0.01 0.00 0.01 0.00 0.00 42.46 41.88 1ro5 s ILE 43 CO 0.13 0.01 0.08 -0.90 0.00 0.00 0.00 174.94 174.26 1ro5 n ASP 44 N 3.18 -0.21 0.22 3.58 5.68 -1.26 -4.61 116.55 123.13 1ro5 n ASP 44 Ca -0.15 -1.65 0.09 0.00 -0.50 0.00 0.00 54.79 52.58 1ro5 n ASP 44 Cb 0.57 0.50 0.51 0.00 -1.14 0.00 0.00 41.12 41.56 1ro5 n ASP 44 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1ro5 h GLY 45 N 0.60 0.00 2.00 6.12 0.00 -2.00 -0.92 103.07 108.87 1ro5 h GLY 45 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1ro5 h GLY 45 CO 0.10 0.00 -0.05 -0.97 0.00 0.00 0.00 176.54 175.62 1ro5 h TYR 46 N 0.00 0.00 0.00 5.60 -1.99 -1.97 -0.95 116.97 117.66 1ro5 h TYR 46 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1ro5 h TYR 46 Cb 0.63 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.36 1ro5 h TYR 46 CO 0.00 0.05 0.00 -0.25 -0.00 0.00 0.00 178.16 177.96 1ro5 n ASP 47 N -4.32 0.57 -1.25 3.88 8.00 -0.35 -1.40 116.55 121.67 1ro5 n ASP 47 Ca -0.03 0.66 0.11 0.00 0.71 0.00 0.00 54.79 56.24 1ro5 n ASP 47 Cb 0.14 -0.77 0.28 0.00 -0.02 0.00 0.00 41.12 40.75 1ro5 n ASP 47 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ro5 n ALA 48 N -1.74 2.38 -1.64 2.24 0.00 -0.36 -4.33 120.51 117.05 1ro5 n ALA 48 Ca 0.02 -1.20 -0.24 0.00 0.00 0.00 0.00 53.44 52.02 1ro5 n ALA 48 Cb 0.19 -0.87 0.08 0.00 0.00 0.00 0.00 19.45 18.85 1ro5 n ALA 48 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ro5 n LEU 49 N 1.53 5.80 -3.31 0.00 4.77 -0.50 -4.95 117.00 120.34 1ro5 n LEU 49 Ca 0.22 -4.36 -0.16 0.00 -0.03 0.00 0.00 56.01 51.68 1ro5 n LEU 49 Cb 0.60 -0.64 0.08 0.00 -2.33 0.00 0.00 43.42 41.14 1ro5 n LEU 49 CO 0.16 1.69 0.09 -1.20 -1.33 0.00 0.00 177.39 176.79 1ro5 n SER 50 N -0.88 -3.10 -4.87 -1.43 7.64 -1.26 -4.96 113.62 104.76 1ro5 n SER 50 Ca 0.49 -0.62 -0.30 0.00 1.01 0.00 0.00 58.87 59.45 1ro5 n SER 50 Cb 0.90 -5.00 0.07 0.00 -1.01 0.00 0.00 64.21 59.17 1ro5 n SER 50 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1ro5 s PRO 51 N -5.08 2.45 0.15 1.43 0.04 -1.26 -4.82 135.00 127.90 1ro5 s PRO 51 Ca 0.11 0.42 0.04 0.00 0.04 0.00 0.00 61.00 61.60 1ro5 s PRO 51 Cb -0.01 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 1ro5 s PRO 51 CO 0.71 -1.32 0.21 0.71 0.04 0.00 0.00 177.00 177.35 1ro5 s TYR 52 N -3.36 3.33 0.06 0.56 1.51 0.13 -2.13 117.35 117.45 1ro5 s TYR 52 Ca 0.60 0.06 0.09 0.00 -1.01 0.00 0.00 57.07 56.81 1ro5 s TYR 52 Cb -0.12 -1.60 -0.03 0.00 -0.11 0.00 0.00 41.96 40.10 1ro5 s TYR 52 CO 0.52 0.52 -0.25 0.71 -1.11 0.00 0.00 175.55 175.94 1ro5 s TYR 53 N -1.73 2.16 -0.16 2.71 1.51 0.01 -0.70 117.35 121.15 1ro5 s TYR 53 Ca 0.33 -0.40 -0.02 0.00 -1.01 0.00 0.00 57.07 55.97 1ro5 s TYR 53 Cb -0.11 -1.26 -0.02 0.00 -0.11 0.00 0.00 41.96 40.47 1ro5 s TYR 53 CO 0.26 0.16 -0.09 1.41 -1.11 0.00 0.00 175.55 176.18 1ro5 s MET 54 N -1.41 3.45 -0.09 -0.62 -2.45 -0.08 -2.29 119.30 115.80 1ro5 s MET 54 Ca 0.11 -0.63 0.01 0.00 -1.25 0.00 0.00 55.69 53.92 1ro5 s MET 54 Cb -0.10 -2.79 -0.03 0.00 1.25 0.00 0.00 34.83 33.17 1ro5 s MET 54 CO 0.03 0.12 -0.10 -0.51 1.05 0.00 0.00 175.02 175.61 1ro5 s LEU 55 N 0.63 2.98 -0.15 4.11 1.43 -0.45 -1.13 118.68 126.10 1ro5 s LEU 55 Ca -0.05 -0.14 -0.04 0.00 -1.03 0.00 0.00 54.13 52.88 1ro5 s LEU 55 Cb -0.15 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 1ro5 s LEU 55 CO 0.03 0.30 -0.03 -0.63 0.23 0.00 0.00 176.35 176.25 1ro5 s ILE 56 N -0.43 3.99 0.25 -0.59 1.01 -0.47 -0.92 121.20 124.04 1ro5 s ILE 56 Ca 0.06 -0.33 0.09 0.00 0.00 0.00 0.00 60.65 60.47 1ro5 s ILE 56 Cb -0.12 -2.75 -0.05 0.00 0.01 0.00 0.00 42.46 39.55 1ro5 s ILE 56 CO 0.02 0.50 -0.14 -1.10 0.00 0.00 0.00 174.94 174.22 1ro5 s GLN 57 N 0.27 1.50 -0.29 2.79 -0.21 0.28 -1.42 119.66 122.58 1ro5 s GLN 57 Ca -0.02 -1.70 -0.16 0.00 0.02 0.00 0.00 55.36 53.50 1ro5 s GLN 57 Cb -0.14 -1.36 0.14 0.00 1.00 0.00 0.00 33.01 32.65 1ro5 s GLN 57 CO 0.03 0.20 0.94 -2.00 -2.12 0.00 0.00 175.29 172.33 1ro5 s GLU 58 N -3.62 0.42 -1.68 2.91 2.12 -0.71 -1.65 118.70 116.50 1ro5 s GLU 58 Ca 0.27 0.74 -0.18 0.00 0.36 0.00 0.00 54.97 56.15 1ro5 s GLU 58 Cb -0.01 0.10 0.15 0.00 0.26 0.00 0.00 34.13 34.64 1ro5 s GLU 58 CO 0.11 -0.09 0.79 -0.25 -0.54 0.00 0.00 175.26 175.28 1ro5 n ASP 59 N 3.85 -3.44 0.00 -1.70 8.00 -1.26 -0.95 116.55 121.04 1ro5 n ASP 59 Ca -0.18 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.35 1ro5 n ASP 59 Cb 0.58 -2.81 0.00 0.00 -0.02 0.00 0.00 41.12 38.87 1ro5 n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ro5 n GLY 60 N -1.38 0.78 3.33 0.44 0.00 -1.26 -5.01 105.19 102.08 1ro5 n GLY 60 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1ro5 n GLY 60 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ro5 s GLN 64 N -0.38 1.74 -0.06 1.61 -0.21 -0.13 -5.12 119.66 117.12 1ro5 s GLN 64 Ca 0.00 -1.07 -0.29 0.00 0.02 0.00 0.00 55.36 54.01 1ro5 s GLN 64 Cb 0.00 -1.90 -0.07 0.00 1.00 0.00 0.00 33.01 32.04 1ro5 s GLN 64 CO 0.00 0.49 1.93 0.08 -2.12 0.00 0.00 175.29 175.67 1ro5 s VAL 65 N -0.79 3.19 -0.91 1.09 1.01 -1.26 -1.74 120.40 120.98 1ro5 s VAL 65 Ca 0.11 0.22 0.14 0.00 0.00 0.00 0.00 61.98 62.45 1ro5 s VAL 65 Cb -0.10 -3.17 -0.09 0.00 0.00 0.00 0.00 36.38 33.03 1ro5 s VAL 65 CO 0.02 -0.05 0.66 0.49 0.00 0.00 0.00 175.10 176.23 1ro5 n PHE 66 N 8.41 0.00 -3.52 5.22 3.01 -0.51 -4.87 117.46 125.19 1ro5 n PHE 66 Ca 0.21 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.53 1ro5 n PHE 66 Cb 0.43 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.85 1ro5 n PHE 66 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1ro5 s GLY 67 N -2.07 -0.48 0.02 1.37 0.00 -1.21 -0.56 107.32 104.40 1ro5 s GLY 67 Ca 0.08 1.41 -0.27 0.00 0.00 0.00 0.00 44.72 45.94 1ro5 s GLY 67 CO 0.48 0.82 0.62 0.00 0.00 0.00 0.00 173.10 175.02 1ro5 s TRP 69 N -2.04 -0.07 0.05 0.00 -0.11 -0.28 -1.96 118.94 114.52 1ro5 s TRP 69 Ca -0.07 0.08 0.07 0.00 1.22 0.00 0.00 56.10 57.40 1ro5 s TRP 69 Cb -0.01 0.02 -0.03 0.00 -1.50 0.00 0.00 33.47 31.95 1ro5 s TRP 69 CO 0.02 -0.32 -0.17 0.50 -4.62 0.00 0.00 176.95 172.37 1ro5 s ARG 70 N -1.25 2.08 -0.04 5.86 3.52 -0.70 -0.91 118.95 127.51 1ro5 s ARG 70 Ca -0.13 -0.99 0.03 0.00 -0.13 0.00 0.00 55.73 54.52 1ro5 s ARG 70 Cb -0.06 -2.21 0.00 0.00 -1.56 0.00 0.00 34.95 31.12 1ro5 s ARG 70 CO 0.03 0.54 -0.13 0.42 -0.81 0.00 0.00 175.30 175.34 1ro5 s ILE 71 N -0.98 1.14 -0.02 4.11 1.09 0.12 -1.20 121.20 125.47 1ro5 s ILE 71 Ca 0.16 -0.55 0.03 0.00 -1.10 0.00 0.00 60.65 59.18 1ro5 s ILE 71 Cb -0.11 -0.99 -0.00 0.00 -1.06 0.00 0.00 42.46 40.30 1ro5 s ILE 71 CO 0.07 0.34 -0.09 -0.76 -0.10 0.00 0.00 174.94 174.39 1ro5 s LEU 72 N 0.16 1.88 0.49 2.97 1.43 0.39 -0.69 118.68 125.31 1ro5 s LEU 72 Ca -0.04 -0.18 -0.23 0.00 -1.03 0.00 0.00 54.13 52.65 1ro5 s LEU 72 Cb -0.11 -0.51 -0.07 0.00 0.03 0.00 0.00 46.19 45.54 1ro5 s LEU 72 CO 0.02 0.08 1.33 -1.81 0.23 0.00 0.00 176.35 176.21 1ro5 s ASP 73 N 0.02 5.69 0.00 2.29 1.01 -1.26 0.55 116.67 124.97 1ro5 s ASP 73 Ca -0.00 2.71 0.26 0.00 0.71 0.00 0.00 52.55 56.23 1ro5 s ASP 73 Cb -0.06 -2.63 0.64 0.00 1.01 0.00 0.00 42.92 41.88 1ro5 s ASP 73 CO 0.00 -1.28 1.51 0.35 0.21 0.00 0.00 175.17 175.96 1ro5 n THR 74 N -0.60 0.00 0.62 -1.27 -2.24 -1.10 -2.73 114.28 106.96 1ro5 n THR 74 Ca 0.08 -0.02 0.11 0.00 -2.27 0.00 0.00 64.05 61.94 1ro5 n THR 74 Cb 0.45 0.19 0.44 0.00 -2.10 0.00 0.00 70.33 69.31 1ro5 n THR 74 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ro5 n THR 75 N -1.34 0.66 -3.85 4.28 -2.24 -1.26 -4.13 114.28 106.40 1ro5 n THR 75 Ca 0.07 0.11 -0.05 0.00 -2.27 0.00 0.00 64.05 61.91 1ro5 n THR 75 Cb 0.33 -0.86 -0.01 0.00 -2.10 0.00 0.00 70.33 67.70 1ro5 n THR 75 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ro5 n GLY 76 N 0.55 3.56 3.77 3.38 0.00 -1.11 -5.01 105.19 110.34 1ro5 n GLY 76 Ca 0.04 -2.21 -0.38 0.00 0.00 0.00 0.00 46.02 43.47 1ro5 n GLY 76 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ro5 s PRO 77 N -2.33 4.15 0.13 1.61 0.02 -1.26 -4.93 135.00 132.38 1ro5 s PRO 77 Ca 0.02 1.76 -0.12 0.00 0.02 0.00 0.00 61.00 62.69 1ro5 s PRO 77 Cb -0.00 -2.71 0.01 0.00 0.02 0.00 0.00 34.50 31.82 1ro5 s PRO 77 CO 0.02 -0.22 0.31 1.52 -0.33 0.00 0.00 177.00 178.30 1ro5 s TYR 78 N -1.44 0.09 0.34 6.54 -0.85 -1.26 -4.84 117.35 115.93 1ro5 s TYR 78 Ca 0.56 -0.46 0.11 0.00 -0.52 0.00 0.00 57.07 56.76 1ro5 s TYR 78 Cb -0.29 0.08 0.62 0.00 0.38 0.00 0.00 41.96 42.75 1ro5 s TYR 78 CO 0.36 -0.67 1.78 0.52 -1.52 0.00 0.00 175.55 176.02 1ro5 h MET 79 N 2.53 0.06 -0.39 -3.49 2.86 -1.95 0.72 114.93 115.27 1ro5 h MET 79 Ca -0.33 -0.03 -0.16 0.00 -2.06 0.00 0.00 59.70 57.13 1ro5 h MET 79 Cb 1.23 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.88 1ro5 h MET 79 CO 0.50 0.46 -0.36 1.25 1.06 0.00 0.00 176.91 179.81 1ro5 h LEU 80 N 0.05 0.99 0.20 1.22 6.46 -1.95 0.35 115.31 122.62 1ro5 h LEU 80 Ca 0.00 -0.44 -0.31 0.00 -0.12 0.00 0.00 57.88 57.01 1ro5 h LEU 80 Cb 0.74 -0.28 0.03 0.00 -0.73 0.00 0.00 40.66 40.42 1ro5 h LEU 80 CO 0.05 1.24 -1.38 0.50 -0.62 0.00 0.00 178.44 178.23 1ro5 h LYS 81 N 0.76 0.45 -0.00 1.25 3.64 -1.79 -2.76 116.57 118.12 1ro5 h LYS 81 Ca 0.07 -0.76 0.00 0.00 -1.27 0.00 0.00 60.65 58.69 1ro5 h LYS 81 Cb 0.95 0.28 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1ro5 h LYS 81 CO 0.09 1.36 -0.11 0.09 -2.27 0.00 0.00 179.45 178.61 1ro5 n ASN 82 N -3.66 0.67 0.00 4.20 4.13 0.21 -4.37 115.26 116.45 1ro5 n ASN 82 Ca -0.14 -0.83 0.00 0.00 1.68 0.00 0.00 54.58 55.29 1ro5 n ASN 82 Cb 1.07 0.60 0.00 0.00 -1.54 0.00 0.00 39.78 39.91 1ro5 n ASN 82 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1ro5 n THR 83 N -0.55 0.00 -2.46 3.41 -1.04 0.49 -4.87 114.28 109.26 1ro5 n THR 83 Ca 0.02 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.81 1ro5 n THR 83 Cb 0.08 -0.78 0.01 0.00 -1.82 0.00 0.00 70.33 67.83 1ro5 n THR 83 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1ro5 n PHE 84 N -2.05 2.79 0.25 -1.42 3.01 0.93 -4.87 117.46 116.10 1ro5 n PHE 84 Ca 0.00 -2.88 0.09 0.00 1.01 0.00 0.00 57.45 55.67 1ro5 n PHE 84 Cb 0.46 -0.18 0.63 0.00 -0.01 0.00 0.00 39.48 40.38 1ro5 n PHE 84 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1ro5 h PRO 85 N 2.60 0.00 -1.00 -1.08 0.13 -1.69 -1.72 132.00 129.25 1ro5 h PRO 85 Ca 0.22 0.00 0.27 0.00 -0.87 0.00 0.00 66.00 65.61 1ro5 h PRO 85 Cb 1.08 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.15 1ro5 h PRO 85 CO 0.74 0.11 0.68 0.93 -0.23 0.00 0.00 178.00 180.24 1ro5 h GLU 86 N 0.00 0.20 0.00 0.86 3.07 -1.89 0.13 114.58 116.94 1ro5 h GLU 86 Ca -0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1ro5 h GLU 86 Cb 0.23 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1ro5 h GLU 86 CO 0.01 0.13 0.00 1.28 -1.40 0.00 0.00 179.01 179.03 1ro5 n LEU 87 N -4.41 0.00 0.24 1.33 4.77 -0.64 -1.61 117.00 116.68 1ro5 n LEU 87 Ca 0.22 0.50 0.15 0.00 -0.03 0.00 0.00 56.01 56.85 1ro5 n LEU 87 Cb 0.94 -0.50 0.54 0.00 -2.33 0.00 0.00 43.42 42.06 1ro5 n LEU 87 CO 0.34 -0.11 0.93 -0.07 -1.33 0.00 0.00 177.39 177.14 1ro5 h LEU 88 N 0.00 0.00 -1.61 2.23 3.38 -0.90 -3.38 115.31 115.03 1ro5 h LEU 88 Ca 0.00 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 1ro5 h LEU 88 Cb 0.39 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1ro5 h LEU 88 CO 0.00 0.00 -0.84 1.41 0.09 0.00 0.00 178.44 179.10 1ro5 n HIS 89 N -2.95 -1.85 -0.09 1.13 8.25 -0.63 -1.24 115.22 117.84 1ro5 n HIS 89 Ca 0.02 0.81 0.00 0.00 -0.26 0.00 0.00 57.72 58.29 1ro5 n HIS 89 Cb 0.35 -3.88 0.00 0.00 1.12 0.00 0.00 29.99 27.59 1ro5 n HIS 89 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ro5 n GLY 90 N -1.74 2.17 3.72 -1.41 0.00 -1.26 -4.99 105.19 101.67 1ro5 n GLY 90 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 1ro5 n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ro5 s LYS 91 N -0.02 1.52 0.33 1.61 1.02 -0.37 -4.99 119.74 118.84 1ro5 s LYS 91 Ca 0.00 1.05 -0.26 0.00 0.02 0.00 0.00 55.97 56.78 1ro5 s LYS 91 Cb 0.00 -1.82 -0.10 0.00 -0.52 0.00 0.00 37.83 35.39 1ro5 s LYS 91 CO 0.00 -2.12 0.96 -2.00 -0.92 0.00 0.00 175.35 171.27 1ro5 s GLU 92 N -4.87 4.53 0.08 1.68 2.12 -1.26 -4.92 118.70 116.06 1ro5 s GLU 92 Ca 0.63 1.36 -0.31 0.00 0.36 0.00 0.00 54.97 57.02 1ro5 s GLU 92 Cb -0.19 -2.77 -0.06 0.00 0.26 0.00 0.00 34.13 31.37 1ro5 s GLU 92 CO 0.57 0.22 1.25 0.00 -0.54 0.00 0.00 175.26 176.76 1ro5 s ALA 93 N -1.62 3.45 0.74 6.30 0.00 -1.26 -5.00 121.76 124.37 1ro5 s ALA 93 Ca 0.51 0.92 -0.15 0.00 0.00 0.00 0.00 51.96 53.24 1ro5 s ALA 93 Cb -0.19 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.50 1ro5 s ALA 93 CO 0.25 -0.49 1.24 -2.14 0.00 0.00 0.00 175.76 174.62 1ro5 s PRO 94 N 1.08 2.04 -0.29 0.00 0.02 -1.26 -5.00 135.00 131.59 1ro5 s PRO 94 Ca 0.60 1.89 0.03 0.00 0.02 0.00 0.00 61.00 63.54 1ro5 s PRO 94 Cb -0.32 -1.81 0.17 0.00 0.02 0.00 0.00 34.50 32.57 1ro5 s PRO 94 CO 0.29 -1.94 0.45 0.00 -0.33 0.00 0.00 177.00 175.47 1ro5 s SER 96 N 2.61 -0.61 0.00 0.00 0.15 -1.26 -4.86 113.70 109.73 1ro5 s SER 96 Ca 0.10 0.91 0.17 0.00 0.70 0.00 0.00 55.95 57.84 1ro5 s SER 96 Cb -0.12 0.83 0.87 0.00 -1.71 0.00 0.00 66.02 65.90 1ro5 s SER 96 CO -0.29 -0.39 1.51 -2.65 1.20 0.00 0.00 173.24 172.62 1ro5 n PRO 97 N 1.61 0.25 -0.08 5.44 -0.02 -1.26 -2.38 135.00 138.55 1ro5 n PRO 97 Ca -0.15 0.12 0.09 0.00 -2.02 0.00 0.00 63.50 61.54 1ro5 n PRO 97 Cb 0.56 -1.50 0.12 0.00 -0.02 0.00 0.00 33.50 32.67 1ro5 n PRO 97 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1ro5 n HIS 98 N -1.28 0.22 -4.77 6.00 8.25 -1.26 -4.83 115.22 117.55 1ro5 n HIS 98 Ca 0.08 -0.16 -0.24 0.00 -0.26 0.00 0.00 57.72 57.14 1ro5 n HIS 98 Cb 0.14 -0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.09 1ro5 n HIS 98 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1ro5 s ILE 99 N -1.29 1.30 0.19 1.59 1.01 -1.00 -0.80 121.20 122.20 1ro5 s ILE 99 Ca 0.25 -0.69 0.08 0.00 0.00 0.00 0.00 60.65 60.29 1ro5 s ILE 99 Cb 0.16 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 1ro5 s ILE 99 CO 0.22 0.37 -0.15 0.26 0.00 0.00 0.00 174.94 175.64 1ro5 s TRP 100 N -0.24 1.73 -0.09 3.97 0.51 -1.02 -2.70 118.94 121.12 1ro5 s TRP 100 Ca 0.03 -0.54 -0.00 0.00 -2.12 0.00 0.00 56.10 53.47 1ro5 s TRP 100 Cb -0.08 -0.82 -0.03 0.00 -0.81 0.00 0.00 33.47 31.73 1ro5 s TRP 100 CO 0.00 0.35 -0.05 -2.00 -0.51 0.00 0.00 176.95 174.74 1ro5 s GLU 101 N -3.38 2.95 0.02 4.98 2.12 0.19 -0.87 118.70 124.72 1ro5 s GLU 101 Ca 0.20 -0.52 -0.01 0.00 0.36 0.00 0.00 54.97 55.00 1ro5 s GLU 101 Cb -0.02 -2.68 -0.04 0.00 0.26 0.00 0.00 34.13 31.65 1ro5 s GLU 101 CO 0.07 0.59 0.15 -0.51 -0.54 0.00 0.00 175.26 175.02 1ro5 s LEU 102 N -0.61 4.16 0.23 2.70 1.43 0.69 -0.46 118.68 126.82 1ro5 s LEU 102 Ca 0.09 0.23 -0.18 0.00 -1.03 0.00 0.00 54.13 53.24 1ro5 s LEU 102 Cb -0.12 -2.56 0.02 0.00 0.03 0.00 0.00 46.19 43.56 1ro5 s LEU 102 CO 0.02 0.24 0.59 -0.94 0.23 0.00 0.00 176.35 176.48 1ro5 s SER 103 N -2.05 -0.26 -1.26 2.29 1.04 -0.34 -4.07 113.70 109.05 1ro5 s SER 103 Ca 0.28 -0.55 -0.01 0.00 0.48 0.00 0.00 55.95 56.15 1ro5 s SER 103 Cb -0.12 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1ro5 s SER 103 CO 0.19 -1.16 0.89 0.54 0.98 0.00 0.00 173.24 174.69 1ro5 n ARG 104 N -0.39 -6.00 -2.09 4.02 5.12 -1.26 -1.73 116.66 114.33 1ro5 n ARG 104 Ca -0.07 0.75 -0.43 0.00 -1.93 0.00 0.00 57.85 56.17 1ro5 n ARG 104 Cb 0.61 -5.59 -0.03 0.00 -1.16 0.00 0.00 32.46 26.29 1ro5 n ARG 104 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1ro5 s PHE 105 N -3.48 2.13 -0.05 -1.55 5.99 -1.26 -4.26 117.98 115.50 1ro5 s PHE 105 Ca 0.05 0.40 -0.01 0.00 0.00 0.00 0.00 56.93 57.36 1ro5 s PHE 105 Cb -0.02 -3.87 0.03 0.00 0.00 0.00 0.00 43.02 39.16 1ro5 s PHE 105 CO 0.76 -3.32 0.03 0.00 -0.00 0.00 0.00 175.22 172.70 1ro5 s ALA 106 N 4.27 0.36 -0.10 11.12 0.00 -0.83 -5.00 121.76 131.58 1ro5 s ALA 106 Ca 0.70 0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.79 1ro5 s ALA 106 Cb -0.30 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.26 1ro5 s ALA 106 CO 0.27 -0.39 -0.14 0.42 0.00 0.00 0.00 175.76 175.92 1ro5 s ILE 107 N 1.85 1.43 0.10 0.00 1.01 -1.26 -0.81 121.20 123.51 1ro5 s ILE 107 Ca 0.02 -0.60 -0.31 0.00 0.00 0.00 0.00 60.65 59.76 1ro5 s ILE 107 Cb -0.12 -1.31 -0.10 0.00 0.01 0.00 0.00 42.46 40.93 1ro5 s ILE 107 CO -0.03 0.43 1.88 0.21 0.00 0.00 0.00 174.94 177.42 1ro5 s ASN 108 N 0.99 6.42 0.01 3.58 2.47 0.28 -4.91 114.94 123.78 1ro5 s ASN 108 Ca -0.07 2.75 0.11 0.00 0.42 0.00 0.00 52.86 56.07 1ro5 s ASN 108 Cb -0.15 -2.56 -0.22 0.00 -1.45 0.00 0.00 41.25 36.88 1ro5 s ASN 108 CO -0.01 -1.03 0.84 0.77 -3.72 0.00 0.00 177.10 173.95 1ro5 h SER 109 N 9.20 0.00 -0.70 -4.21 4.64 -1.99 -3.44 113.55 117.05 1ro5 h SER 109 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1ro5 h SER 109 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1ro5 h SER 109 CO 0.95 0.98 0.00 0.61 -0.87 0.00 0.00 176.83 178.50 1ro5 n GLY 110 N 1.49 0.00 0.23 -0.77 0.00 -1.26 -4.90 105.19 99.98 1ro5 n GLY 110 Ca -0.12 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.95 1ro5 n GLY 110 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1ro5 h GLN 111 N 0.00 0.04 -0.00 1.61 4.20 -2.06 -3.28 115.11 115.62 1ro5 h GLN 111 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1ro5 h GLN 111 Cb 0.00 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1ro5 h GLN 111 CO 0.00 0.21 -0.13 1.63 -0.67 0.00 0.00 178.83 179.87 1ro5 n LYS 112 N -4.32 0.41 -1.66 1.46 5.02 -1.26 -4.68 118.16 113.13 1ro5 n LYS 112 Ca -0.02 -0.12 -0.16 0.00 -2.02 0.00 0.00 58.31 55.99 1ro5 n LYS 112 Cb 0.25 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.68 1ro5 n LYS 112 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1ro5 s GLY 113 N -2.68 -0.73 -0.01 0.72 0.00 -1.24 -4.82 107.32 98.56 1ro5 s GLY 113 Ca 0.23 -1.09 0.02 0.00 0.00 0.00 0.00 44.72 43.87 1ro5 s GLY 113 CO 0.52 4.13 0.85 1.44 0.00 0.00 0.00 173.10 180.03 1ro5 n SER 114 N 18.17 0.89 -0.01 1.64 7.64 -1.26 -3.73 113.62 136.95 1ro5 n SER 114 Ca 0.45 -2.04 -0.02 0.00 1.01 0.00 0.00 58.87 58.27 1ro5 n SER 114 Cb 0.45 -0.27 -0.02 0.00 -1.01 0.00 0.00 64.21 63.35 1ro5 n SER 114 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1ro5 n LEU 115 N -0.13 0.47 0.00 -3.43 7.94 -1.26 -5.13 117.00 115.47 1ro5 n LEU 115 Ca 0.03 -0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 1ro5 n LEU 115 Cb 0.19 0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.18 1ro5 n LEU 115 CO 0.02 0.15 0.00 0.61 -1.11 0.00 0.00 177.39 177.06 1ro5 n GLY 116 N 2.90 0.41 1.07 -3.96 0.00 -1.24 -4.78 105.19 99.59 1ro5 n GLY 116 Ca -0.05 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.98 1ro5 n GLY 116 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ro5 n PHE 117 N 2.08 -1.12 -0.12 1.61 7.35 -1.26 -4.38 117.46 121.62 1ro5 n PHE 117 Ca 0.00 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.61 1ro5 n PHE 117 Cb 0.00 0.27 -0.01 0.00 0.35 0.00 0.00 39.48 40.08 1ro5 n PHE 117 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 1ro5 h SER 118 N 0.00 -1.07 -0.21 -2.13 0.02 -2.00 -2.44 113.55 105.71 1ro5 h SER 118 Ca 0.00 0.19 -0.13 0.00 -0.84 0.00 0.00 61.79 61.01 1ro5 h SER 118 Cb 0.00 0.50 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1ro5 h SER 118 CO 0.00 -0.32 -0.38 0.44 -1.14 0.00 0.00 176.83 175.43 1ro5 h ASP 119 N -0.25 0.70 -0.75 3.07 3.45 -1.90 -2.75 116.42 117.99 1ro5 h ASP 119 Ca 0.17 -0.54 0.14 0.00 0.43 0.00 0.00 57.03 57.24 1ro5 h ASP 119 Cb 0.54 -0.20 -0.14 0.00 -0.56 0.00 0.00 39.33 38.96 1ro5 h ASP 119 CO -0.53 1.11 -0.27 0.00 -1.57 0.00 0.00 179.24 177.97 1ro5 h THR 121 N -0.05 0.97 -0.12 0.00 2.02 -1.33 -1.10 112.91 113.29 1ro5 h THR 121 Ca 0.33 -0.24 0.05 0.00 0.77 0.00 0.00 66.41 67.31 1ro5 h THR 121 Cb 0.57 0.20 -0.06 0.00 -1.74 0.00 0.00 68.15 67.12 1ro5 h THR 121 CO -0.79 0.13 -0.36 0.25 0.37 0.00 0.00 175.52 175.12 1ro5 h LEU 122 N 0.71 -1.11 -0.70 2.58 5.85 -0.11 0.20 115.31 122.72 1ro5 h LEU 122 Ca 0.31 0.16 0.01 0.00 0.84 0.00 0.00 57.88 59.20 1ro5 h LEU 122 Cb 0.19 0.46 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 1ro5 h LEU 122 CO -0.18 -0.39 0.46 -0.33 -0.34 0.00 0.00 178.44 177.65 1ro5 h GLU 123 N -0.44 0.89 -0.87 1.25 4.39 0.08 0.91 114.58 120.80 1ro5 h GLU 123 Ca 0.09 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.78 1ro5 h GLU 123 Cb 0.58 -0.20 -0.05 0.00 -0.10 0.00 0.00 28.75 28.97 1ro5 h GLU 123 CO -0.37 0.59 0.55 0.00 -1.16 0.00 0.00 179.01 178.63 1ro5 h ALA 124 N 1.27 1.15 0.00 3.43 0.00 -0.80 -0.14 119.26 124.17 1ro5 h ALA 124 Ca 0.26 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1ro5 h ALA 124 Cb -0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1ro5 h ALA 124 CO -0.07 0.37 -0.49 1.98 0.00 0.00 0.00 179.25 181.03 1ro5 h MET 125 N 1.06 0.00 -0.04 0.00 1.85 0.15 -0.24 114.93 117.71 1ro5 h MET 125 Ca 0.35 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.44 1ro5 h MET 125 Cb 0.05 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.08 1ro5 h MET 125 CO -0.13 0.49 -0.00 0.00 -0.40 0.00 0.00 176.91 176.87 1ro5 h ARG 126 N 0.00 0.08 -0.46 0.39 3.08 -0.37 0.53 114.38 117.63 1ro5 h ARG 126 Ca -0.00 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 1ro5 h ARG 126 Cb 1.12 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 1ro5 h ARG 126 CO 0.06 0.39 -0.15 0.00 -1.07 0.00 0.00 179.97 179.20 1ro5 h ALA 127 N 0.69 0.63 -0.31 0.04 0.00 -0.98 -3.08 119.26 116.24 1ro5 h ALA 127 Ca 0.01 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 1ro5 h ALA 127 Cb 0.36 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1ro5 h ALA 127 CO 0.00 0.56 -0.06 1.25 0.00 0.00 0.00 179.25 181.00 1ro5 h LEU 128 N 0.75 0.59 -1.53 0.00 5.85 -0.87 -1.79 115.31 118.31 1ro5 h LEU 128 Ca 0.11 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 58.42 1ro5 h LEU 128 Cb 0.71 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1ro5 h LEU 128 CO 0.05 0.81 -0.24 0.00 -0.34 0.00 0.00 178.44 178.72 1ro5 h ALA 129 N 0.80 1.51 0.00 1.25 0.00 0.01 -0.02 119.26 122.81 1ro5 h ALA 129 Ca 0.08 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1ro5 h ALA 129 Cb 0.54 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ro5 h ALA 129 CO 0.03 0.30 -0.18 -0.09 0.00 0.00 0.00 179.25 179.32 1ro5 h ARG 130 N 0.00 0.12 -0.99 0.00 2.43 -1.44 -0.53 114.38 113.97 1ro5 h ARG 130 Ca -0.00 -0.13 0.06 0.00 -0.81 0.00 0.00 59.98 59.10 1ro5 h ARG 130 Cb 0.46 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.98 1ro5 h ARG 130 CO 0.03 0.89 0.64 -0.92 -1.51 0.00 0.00 179.97 179.11 1ro5 h TYR 131 N -0.61 1.19 -0.33 2.20 3.20 -1.21 0.36 116.97 121.78 1ro5 h TYR 131 Ca -0.02 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.71 1ro5 h TYR 131 Cb 0.96 -0.39 -0.00 0.00 1.54 0.00 0.00 36.73 38.83 1ro5 h TYR 131 CO 0.19 0.63 -0.44 0.77 -1.64 0.00 0.00 178.16 177.68 1ro5 h SER 132 N 1.18 0.95 -0.49 -2.11 0.02 -0.97 -2.77 113.55 109.35 1ro5 h SER 132 Ca 0.42 -0.50 -0.12 0.00 -0.84 0.00 0.00 61.79 60.75 1ro5 h SER 132 Cb 0.13 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1ro5 h SER 132 CO -0.16 1.26 -0.15 -0.07 -1.14 0.00 0.00 176.83 176.56 1ro5 h LEU 133 N 0.66 1.00 -0.11 5.07 3.38 -0.75 0.36 115.31 124.92 1ro5 h LEU 133 Ca 0.04 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1ro5 h LEU 133 Cb 1.04 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1ro5 h LEU 133 CO 0.10 1.13 0.00 0.00 0.09 0.00 0.00 178.44 179.76 1ro5 n GLN 134 N -4.13 0.02 -0.79 1.13 6.02 0.09 -1.40 117.38 118.32 1ro5 n GLN 134 Ca 0.01 0.34 -0.04 0.00 -0.01 0.00 0.00 57.00 57.30 1ro5 n GLN 134 Cb 0.42 -1.55 0.21 0.00 1.02 0.00 0.00 30.24 30.34 1ro5 n GLN 134 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1ro5 n ASN 135 N -1.59 2.89 -3.23 1.08 3.02 -0.21 -4.96 115.26 112.25 1ro5 n ASN 135 Ca 0.02 -3.62 -0.23 0.00 -0.03 0.00 0.00 54.58 50.73 1ro5 n ASN 135 Cb 0.13 -0.64 0.05 0.00 -0.61 0.00 0.00 39.78 38.71 1ro5 n ASN 135 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1ro5 n ASP 136 N -1.00 -6.18 -4.74 6.41 -0.08 -0.49 -5.01 116.55 105.47 1ro5 n ASP 136 Ca 0.34 -0.38 -0.36 0.00 -1.51 0.00 0.00 54.79 52.88 1ro5 n ASP 136 Cb 1.08 -4.95 -0.08 0.00 2.34 0.00 0.00 41.12 39.52 1ro5 n ASP 136 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1ro5 s ILE 137 N -3.23 5.37 -0.24 5.18 -1.09 -0.06 -4.59 121.20 122.56 1ro5 s ILE 137 Ca 0.41 0.32 0.22 0.00 -2.23 0.00 0.00 60.65 59.37 1ro5 s ILE 137 Cb -0.18 -3.53 -0.26 0.00 -1.58 0.00 0.00 42.46 36.92 1ro5 s ILE 137 CO 0.50 0.43 0.66 0.00 -1.23 0.00 0.00 174.94 175.31 1ro5 n GLN 138 N 3.45 0.53 -3.79 2.79 0.00 0.02 -4.35 117.38 116.03 1ro5 n GLN 138 Ca -0.15 -0.11 -0.13 0.00 0.00 0.00 0.00 57.00 56.61 1ro5 n GLN 138 Cb 0.52 -1.57 -0.13 0.00 0.00 0.00 0.00 30.24 29.06 1ro5 n GLN 138 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1ro5 s THR 139 N -3.40 -0.02 -0.16 -0.39 2.01 -1.19 0.03 115.64 112.53 1ro5 s THR 139 Ca -0.04 0.07 -0.04 0.00 0.31 0.00 0.00 61.69 62.00 1ro5 s THR 139 Cb 0.14 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 72.39 1ro5 s THR 139 CO 0.88 0.03 -0.04 -0.76 -0.69 0.00 0.00 174.62 174.04 1ro5 s LEU 140 N 0.54 3.26 0.21 4.42 1.43 -0.27 -2.42 118.68 125.85 1ro5 s LEU 140 Ca -0.04 -0.13 0.08 0.00 -1.03 0.00 0.00 54.13 53.01 1ro5 s LEU 140 Cb -0.05 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 1ro5 s LEU 140 CO -0.03 0.17 0.02 0.68 0.23 0.00 0.00 176.35 177.42 1ro5 s VAL 141 N 0.38 3.72 0.03 -1.59 -7.23 -0.05 0.70 120.40 116.37 1ro5 s VAL 141 Ca -0.04 -1.58 -0.27 0.00 -1.81 0.00 0.00 61.98 58.27 1ro5 s VAL 141 Cb -0.14 -2.93 0.08 0.00 0.56 0.00 0.00 36.38 33.95 1ro5 s VAL 141 CO 0.03 -0.23 0.70 0.28 -0.31 0.00 0.00 175.10 175.57 1ro5 s THR 142 N -1.98 0.00 -0.29 5.32 -1.32 -0.84 -0.22 115.64 116.31 1ro5 s THR 142 Ca 0.29 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 60.69 1ro5 s THR 142 Cb -0.08 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.89 1ro5 s THR 142 CO 0.20 0.00 0.13 -0.69 -2.21 0.00 0.00 174.62 172.04 1ro5 s VAL 143 N -2.43 4.51 0.00 5.08 1.01 -1.26 -0.55 120.40 126.75 1ro5 s VAL 143 Ca -0.04 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1ro5 s VAL 143 Cb -0.01 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.13 1ro5 s VAL 143 CO -0.02 0.15 0.00 1.07 0.00 0.00 0.00 175.10 176.30 1ro5 n THR 144 N 4.96 0.00 -3.11 3.92 5.66 -0.61 -4.86 114.28 120.24 1ro5 n THR 144 Ca -0.15 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.67 1ro5 n THR 144 Cb 0.50 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.29 1ro5 n THR 144 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1ro5 s THR 145 N -1.76 3.40 0.43 1.09 -4.23 -1.26 -0.75 115.64 112.56 1ro5 s THR 145 Ca 0.00 -0.91 0.09 0.00 -1.18 0.00 0.00 61.69 59.70 1ro5 s THR 145 Cb 0.00 -3.18 0.28 0.00 1.34 0.00 0.00 72.50 70.94 1ro5 s THR 145 CO 0.00 -0.08 2.06 0.58 -0.54 0.00 0.00 174.62 176.64 1ro5 h VAL 146 N 0.62 1.06 0.11 2.29 2.07 -1.59 0.20 116.25 121.01 1ro5 h VAL 146 Ca -0.43 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 66.96 1ro5 h VAL 146 Cb 1.27 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 1ro5 h VAL 146 CO 0.50 0.08 -0.28 1.23 0.02 0.00 0.00 177.57 179.12 1ro5 h GLY 147 N 0.45 -0.52 1.72 2.17 0.00 -1.94 -1.21 103.07 103.74 1ro5 h GLY 147 Ca 0.15 0.33 -0.13 0.00 0.00 0.00 0.00 47.33 47.68 1ro5 h GLY 147 CO -0.03 -0.23 -0.51 -2.08 0.00 0.00 0.00 176.54 173.69 1ro5 h VAL 148 N -0.49 1.34 -0.37 4.60 2.07 -1.58 -1.18 116.25 120.64 1ro5 h VAL 148 Ca 0.03 -1.76 0.06 0.00 0.82 0.00 0.00 66.70 65.86 1ro5 h VAL 148 Cb 0.52 1.82 -0.06 0.00 -1.52 0.00 0.00 31.29 32.06 1ro5 h VAL 148 CO -0.17 0.53 0.03 -0.08 0.02 0.00 0.00 177.57 177.89 1ro5 h GLU 149 N 0.24 0.13 0.00 1.57 4.81 -0.66 -2.01 114.58 118.65 1ro5 h GLU 149 Ca 0.01 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 1ro5 h GLU 149 Cb 0.98 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 1ro5 h GLU 149 CO 0.08 0.09 -0.50 1.57 -0.73 0.00 0.00 179.01 179.52 1ro5 h LYS 150 N 0.13 0.00 0.00 1.92 2.10 -0.83 0.30 116.57 120.20 1ro5 h LYS 150 Ca 0.18 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.80 1ro5 h LYS 150 Cb 0.24 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.56 1ro5 h LYS 150 CO -0.28 0.50 -0.15 1.98 -2.00 0.00 0.00 179.45 179.49 1ro5 h MET 151 N 0.00 0.00 0.06 0.07 4.05 -0.60 -1.43 114.93 117.08 1ro5 h MET 151 Ca -0.00 0.00 -0.34 0.00 -0.28 0.00 0.00 59.70 59.07 1ro5 h MET 151 Cb 0.98 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.74 1ro5 h MET 151 CO 0.06 0.15 -1.92 -1.33 0.23 0.00 0.00 176.91 174.11 1ro5 n MET 152 N -3.96 0.67 -0.06 0.39 2.81 -0.49 -2.02 117.12 114.46 1ro5 n MET 152 Ca -0.02 0.33 0.07 0.00 -1.81 0.00 0.00 57.70 56.27 1ro5 n MET 152 Cb 0.24 -1.67 0.44 0.00 -0.71 0.00 0.00 33.22 31.52 1ro5 n MET 152 CO 0.00 0.00 0.00 -0.84 1.51 0.00 0.00 175.97 176.64 1ro5 h ILE 153 N -0.34 1.02 -0.25 2.02 3.07 -0.19 -2.54 117.51 120.30 1ro5 h ILE 153 Ca -0.45 -0.18 -0.16 0.00 1.55 0.00 0.00 64.86 65.61 1ro5 h ILE 153 Cb 1.77 0.43 -0.01 0.00 -0.27 0.00 0.00 36.82 38.75 1ro5 h ILE 153 CO -0.07 0.10 -0.49 0.03 -1.05 0.00 0.00 178.15 176.66 1ro5 h ARG 154 N 0.54 0.67 0.00 0.16 3.08 -1.32 -2.88 114.38 114.63 1ro5 h ARG 154 Ca 0.22 -0.40 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1ro5 h ARG 154 Cb 0.20 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1ro5 h ARG 154 CO -0.06 1.01 0.00 0.00 -1.07 0.00 0.00 179.97 179.85 1ro5 n ALA 155 N -2.53 2.27 -0.04 0.04 0.00 -0.86 -4.88 120.51 114.52 1ro5 n ALA 155 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1ro5 n ALA 155 Cb 0.58 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1ro5 n ALA 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ro5 n GLY 156 N 0.30 0.39 3.71 0.00 0.00 -1.09 -4.75 105.19 103.75 1ro5 n GLY 156 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1ro5 n GLY 156 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ro5 s LEU 157 N 0.00 2.57 -0.40 0.99 1.02 -1.11 -4.61 118.68 117.14 1ro5 s LEU 157 Ca 0.00 1.76 -0.16 0.00 0.02 0.00 0.00 54.13 55.75 1ro5 s LEU 157 Cb 0.00 -4.24 0.02 0.00 0.02 0.00 0.00 46.19 41.99 1ro5 s LEU 157 CO 0.00 -2.61 0.34 -0.62 0.02 0.00 0.00 176.35 173.48 1ro5 s ASP 158 N -3.20 6.14 -0.02 2.29 2.15 -1.26 -4.72 116.67 118.04 1ro5 s ASP 158 Ca 0.64 -0.75 -0.00 0.00 0.43 0.00 0.00 52.55 52.86 1ro5 s ASP 158 Cb -0.19 -2.18 0.03 0.00 -0.30 0.00 0.00 42.92 40.28 1ro5 s ASP 158 CO 0.57 -0.47 0.04 -0.69 -0.17 0.00 0.00 175.17 174.46 1ro5 s VAL 159 N 1.84 -0.06 0.09 1.11 1.01 -1.26 -1.88 120.40 121.25 1ro5 s VAL 159 Ca 0.08 0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.26 1ro5 s VAL 159 Cb -0.18 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 1ro5 s VAL 159 CO 0.11 0.09 -0.00 -0.94 0.00 0.00 0.00 175.10 174.36 1ro5 s SER 160 N 1.05 0.53 0.13 3.32 1.04 -0.72 -4.99 113.70 114.06 1ro5 s SER 160 Ca -0.09 -1.08 0.08 0.00 0.48 0.00 0.00 55.95 55.33 1ro5 s SER 160 Cb -0.12 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.17 1ro5 s SER 160 CO -0.03 -0.63 -0.09 0.00 0.98 0.00 0.00 173.24 173.47 1ro5 s ARG 161 N -3.96 2.13 0.28 4.02 1.70 -1.26 -0.22 118.95 121.64 1ro5 s ARG 161 Ca 0.14 -1.09 0.10 0.00 -0.47 0.00 0.00 55.73 54.41 1ro5 s ARG 161 Cb 0.07 -2.27 0.39 0.00 -0.57 0.00 0.00 34.95 32.58 1ro5 s ARG 161 CO -0.05 0.49 1.64 0.74 -1.08 0.00 0.00 175.30 177.04 1ro5 h PHE 162 N 3.37 0.06 -1.19 5.89 -1.00 -1.62 -3.47 116.94 118.97 1ro5 h PHE 162 Ca -0.48 -0.02 0.05 0.00 2.81 0.00 0.00 57.97 60.32 1ro5 h PHE 162 Cb 1.18 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.72 1ro5 h PHE 162 CO 0.61 0.61 0.12 0.41 -1.61 0.00 0.00 178.31 178.45 1ro5 n GLY 163 N 0.13 0.46 3.64 -1.45 0.00 -1.26 -4.73 105.19 101.97 1ro5 n GLY 163 Ca -0.01 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.78 1ro5 n GLY 163 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ro5 n PRO 164 N -0.12 1.18 -1.04 1.61 -0.02 -1.26 -4.80 135.00 130.55 1ro5 n PRO 164 Ca 0.01 0.44 -0.31 0.00 -2.02 0.00 0.00 63.50 61.61 1ro5 n PRO 164 Cb 0.07 -2.22 0.12 0.00 -0.02 0.00 0.00 33.50 31.46 1ro5 n PRO 164 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1ro5 s HIS 165 N -1.41 2.06 0.04 6.00 -3.43 -1.26 -4.87 115.29 112.43 1ro5 s HIS 165 Ca 0.71 1.68 0.01 0.00 -0.80 0.00 0.00 55.06 56.66 1ro5 s HIS 165 Cb -0.45 -3.24 -0.03 0.00 -1.43 0.00 0.00 32.58 27.43 1ro5 s HIS 165 CO 0.50 -2.37 -0.06 -0.51 -2.00 0.00 0.00 174.74 170.31 1ro5 s LEU 166 N -6.10 2.29 -0.31 5.38 1.43 0.34 -4.90 118.68 116.82 1ro5 s LEU 166 Ca 0.66 -0.61 -0.29 0.00 -1.03 0.00 0.00 54.13 52.86 1ro5 s LEU 166 Cb -0.21 -0.04 -0.01 0.00 0.03 0.00 0.00 46.19 45.96 1ro5 s LEU 166 CO 0.55 -0.29 1.47 -0.75 0.23 0.00 0.00 176.35 177.56 1ro5 s LYS 167 N -1.93 3.73 -0.23 1.70 2.20 -1.26 0.25 119.74 124.20 1ro5 s LYS 167 Ca -0.09 1.29 -0.01 0.00 -0.36 0.00 0.00 55.97 56.81 1ro5 s LYS 167 Cb -0.07 -4.00 0.02 0.00 -1.51 0.00 0.00 37.83 32.28 1ro5 s LYS 167 CO -0.01 -1.37 -0.09 0.42 -0.36 0.00 0.00 175.35 173.93 1ro5 s ILE 168 N 5.15 2.69 0.00 5.43 -1.09 0.10 -4.93 121.20 128.56 1ro5 s ILE 168 Ca 0.64 -0.99 0.00 0.00 -2.23 0.00 0.00 60.65 58.08 1ro5 s ILE 168 Cb -0.19 -2.32 0.00 0.00 -1.58 0.00 0.00 42.46 38.38 1ro5 s ILE 168 CO 0.29 0.29 0.00 0.61 -1.23 0.00 0.00 174.94 174.89 1ro5 n GLY 169 N 4.65 4.17 1.01 6.18 0.00 -1.24 -0.89 105.19 119.09 1ro5 n GLY 169 Ca -0.18 0.18 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1ro5 n GLY 169 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ro5 n ILE 170 N 0.00 0.65 -4.05 -0.61 -5.35 -1.26 -4.97 119.36 103.76 1ro5 n ILE 170 Ca 0.00 -0.82 -0.22 0.00 -0.27 0.00 0.00 62.75 61.44 1ro5 n ILE 170 Cb 0.00 0.82 -0.04 0.00 -1.74 0.00 0.00 39.64 38.69 1ro5 n ILE 170 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1ro5 s GLU 171 N -1.23 3.13 -0.47 6.28 0.41 -0.07 -5.08 118.70 121.67 1ro5 s GLU 171 Ca 0.35 -0.91 -0.19 0.00 -0.41 0.00 0.00 54.97 53.80 1ro5 s GLU 171 Cb 0.20 -2.71 0.04 0.00 -1.78 0.00 0.00 34.13 29.88 1ro5 s GLU 171 CO 0.27 0.42 0.61 1.03 -0.49 0.00 0.00 175.26 177.10 1ro5 s ARG 172 N -3.80 3.16 0.16 1.61 0.52 -1.26 0.01 118.95 119.35 1ro5 s ARG 172 Ca 0.33 -0.71 0.05 0.00 -0.52 0.00 0.00 55.73 54.88 1ro5 s ARG 172 Cb -0.09 -4.04 -0.04 0.00 0.52 0.00 0.00 34.95 31.31 1ro5 s ARG 172 CO 0.26 -1.11 0.12 0.00 0.02 0.00 0.00 175.30 174.60 1ro5 s ALA 173 N 2.63 3.55 0.04 2.13 0.00 0.14 -1.50 121.76 128.75 1ro5 s ALA 173 Ca 0.17 -1.21 -0.10 0.00 0.00 0.00 0.00 51.96 50.82 1ro5 s ALA 173 Cb -0.17 -1.35 0.01 0.00 0.00 0.00 0.00 23.12 21.61 1ro5 s ALA 173 CO 0.14 0.52 0.21 0.54 0.00 0.00 0.00 175.76 177.17 1ro5 s VAL 174 N -1.72 0.10 -0.20 0.00 0.11 0.07 -0.50 120.40 118.26 1ro5 s VAL 174 Ca 0.31 -0.85 -0.16 0.00 -2.93 0.00 0.00 61.98 58.35 1ro5 s VAL 174 Cb -0.10 -0.91 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 1ro5 s VAL 174 CO 0.23 -0.47 0.38 0.00 -3.33 0.00 0.00 175.10 171.91 1ro5 s ALA 175 N -2.54 3.56 0.08 1.54 0.00 -1.26 -1.57 121.76 121.57 1ro5 s ALA 175 Ca -0.05 -0.54 0.06 0.00 0.00 0.00 0.00 51.96 51.43 1ro5 s ALA 175 Cb -0.01 -2.61 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 1ro5 s ALA 175 CO -0.04 -0.27 -0.10 -0.51 0.00 0.00 0.00 175.76 174.84 1ro5 s LEU 176 N 1.25 3.04 -0.20 0.00 1.43 0.28 -1.79 118.68 122.68 1ro5 s LEU 176 Ca 0.18 -0.35 -0.05 0.00 -1.03 0.00 0.00 54.13 52.89 1ro5 s LEU 176 Cb -0.15 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 1ro5 s LEU 176 CO 0.08 0.20 0.00 0.00 0.23 0.00 0.00 176.35 176.86 1ro5 s ARG 177 N -2.03 3.61 -0.35 1.70 1.70 0.70 -1.99 118.95 122.29 1ro5 s ARG 177 Ca 0.20 -0.52 -0.03 0.00 -0.47 0.00 0.00 55.73 54.91 1ro5 s ARG 177 Cb -0.11 -3.08 0.07 0.00 -0.57 0.00 0.00 34.95 31.26 1ro5 s ARG 177 CO 0.12 0.00 0.10 0.42 -1.08 0.00 0.00 175.30 174.86 1ro5 s ILE 178 N 1.02 3.29 0.00 4.99 1.09 0.22 -1.76 121.20 130.06 1ro5 s ILE 178 Ca 0.02 -1.56 -0.30 0.00 -1.10 0.00 0.00 60.65 57.71 1ro5 s ILE 178 Cb -0.14 -3.01 -0.05 0.00 -1.06 0.00 0.00 42.46 38.20 1ro5 s ILE 178 CO 0.02 -0.33 1.21 -1.61 -0.10 0.00 0.00 174.94 174.13 1ro5 s GLU 179 N 1.25 4.39 -0.34 2.79 0.41 -0.79 -1.12 118.70 125.30 1ro5 s GLU 179 Ca 0.00 1.73 -0.02 0.00 -0.41 0.00 0.00 54.97 56.27 1ro5 s GLU 179 Cb -0.21 -3.46 0.13 0.00 -1.78 0.00 0.00 34.13 28.81 1ro5 s GLU 179 CO -0.01 -0.36 2.37 1.28 -0.49 0.00 0.00 175.26 178.05 1ro5 n LEU 180 N 4.60 6.37 0.00 1.80 4.77 0.10 -4.52 117.00 130.12 1ro5 n LEU 180 Ca 0.10 -3.52 0.00 0.00 -0.03 0.00 0.00 56.01 52.56 1ro5 n LEU 180 Cb 0.46 -1.14 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 1ro5 n LEU 180 CO 0.56 1.42 0.00 -0.46 -1.33 0.00 0.00 177.39 177.57 1ro5 n ASN 181 N 0.69 0.00 -0.05 -1.43 0.23 -1.26 -4.71 115.26 108.73 1ro5 n ASN 181 Ca 0.36 -0.29 -0.11 0.00 -0.53 0.00 0.00 54.58 54.01 1ro5 n ASN 181 Cb 0.59 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.24 1ro5 n ASN 181 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ro5 h ALA 182 N -1.84 0.23 -0.73 -2.53 0.00 -1.98 0.16 119.26 112.58 1ro5 h ALA 182 Ca 0.00 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.86 1ro5 h ALA 182 Cb 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 1ro5 h ALA 182 CO 0.00 -0.14 0.39 -0.22 0.00 0.00 0.00 179.25 179.28 1ro5 h LYS 183 N 0.10 0.66 -0.15 0.00 3.64 -1.94 0.37 116.57 119.25 1ro5 h LYS 183 Ca 0.06 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1ro5 h LYS 183 Cb 0.24 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1ro5 h LYS 183 CO -0.00 0.44 0.04 1.15 -2.27 0.00 0.00 179.45 178.80 1ro5 h THR 184 N 0.68 1.20 -0.76 1.00 2.02 -1.74 0.99 112.91 116.30 1ro5 h THR 184 Ca 0.34 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1ro5 h THR 184 Cb 0.30 1.34 -0.04 0.00 -1.74 0.00 0.00 68.15 68.02 1ro5 h THR 184 CO -0.23 0.19 0.48 1.56 0.37 0.00 0.00 175.52 177.90 1ro5 h GLN 185 N 0.05 1.02 -0.25 6.66 4.20 -0.21 0.13 115.11 126.71 1ro5 h GLN 185 Ca 0.05 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 1ro5 h GLN 185 Cb 0.27 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1ro5 h GLN 185 CO 0.00 0.70 -0.10 0.82 -0.67 0.00 0.00 178.83 179.59 1ro5 h ILE 186 N 1.04 1.29 -0.53 2.54 2.04 0.06 0.14 117.51 124.09 1ro5 h ILE 186 Ca 0.28 -1.15 0.10 0.00 1.00 0.00 0.00 64.86 65.09 1ro5 h ILE 186 Cb -0.08 1.52 -0.08 0.00 -0.74 0.00 0.00 36.82 37.43 1ro5 h ILE 186 CO -0.06 0.36 0.02 0.00 0.00 0.00 0.00 178.15 178.47 1ro5 h ALA 187 N 0.74 0.52 -0.18 1.87 0.00 -0.55 0.18 119.26 121.86 1ro5 h ALA 187 Ca 0.06 0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.92 1ro5 h ALA 187 Cb 0.59 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1ro5 h ALA 187 CO 0.03 -0.37 -0.68 -0.07 0.00 0.00 0.00 179.25 178.15 1ro5 h LEU 188 N 0.14 0.82 0.00 0.00 3.38 -0.49 -3.41 115.31 115.74 1ro5 h LEU 188 Ca 0.27 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1ro5 h LEU 188 Cb 0.41 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1ro5 h LEU 188 CO -0.43 1.27 -0.36 -1.22 0.09 0.00 0.00 178.44 177.79 1ro5 n TYR 189 N -3.94 0.00 0.00 1.13 4.02 0.46 -4.96 117.16 113.88 1ro5 n TYR 189 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.84 1ro5 n TYR 189 Cb 0.69 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 40.00 1ro5 n TYR 189 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ro5 n GLY 190 N 1.45 2.95 0.00 2.72 0.00 0.63 -4.98 105.19 107.96 1ro5 n GLY 190 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ro5 n GLY 190 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ro5 n GLY 191 N -2.00 3.22 3.72 -0.02 0.00 -1.25 -4.89 105.19 103.96 1ro5 n GLY 191 Ca 0.00 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 1ro5 n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ro5 s VAL 192 N -2.58 4.66 0.21 1.61 1.01 -1.26 -3.14 120.40 120.91 1ro5 s VAL 192 Ca 0.00 2.06 -0.30 0.00 0.00 0.00 0.00 61.98 63.74 1ro5 s VAL 192 Cb 0.00 -4.32 -0.09 0.00 0.00 0.00 0.00 36.38 31.97 1ro5 s VAL 192 CO 0.00 0.25 1.28 -0.22 0.00 0.00 0.00 175.10 176.42 1ro5 s LEU 193 N 0.42 4.43 -0.15 3.92 1.98 -1.26 -5.00 118.68 123.01 1ro5 s LEU 193 Ca 0.49 2.40 0.00 0.00 -2.89 0.00 0.00 54.13 54.13 1ro5 s LEU 193 Cb -0.22 -3.61 0.03 0.00 0.66 0.00 0.00 46.19 43.04 1ro5 s LEU 193 CO 0.29 -0.49 -0.13 -0.69 -1.89 0.00 0.00 176.35 173.44 1ro5 s VAL 194 N -0.10 1.53 -0.13 1.68 1.01 -1.26 -5.11 120.40 118.01 1ro5 s VAL 194 Ca 0.55 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.76 1ro5 s VAL 194 Cb -0.36 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 1ro5 s VAL 194 CO 0.40 0.40 0.22 -0.70 0.00 0.00 0.00 175.10 175.42 1ro5 s GLU 195 N 1.50 3.92 -0.09 2.72 2.12 -1.26 -5.11 118.70 122.50 1ro5 s GLU 195 Ca 0.04 -0.00 -0.16 0.00 0.36 0.00 0.00 54.97 55.20 1ro5 s GLU 195 Cb -0.13 -3.32 -0.05 0.00 0.26 0.00 0.00 34.13 30.89 1ro5 s GLU 195 CO -0.10 0.50 0.41 -0.65 -0.54 0.00 0.00 175.26 174.88 1ro5 s GLN 196 N -0.27 4.20 0.00 4.30 -1.52 -1.26 -5.24 119.66 119.87 1ro5 s GLN 196 Ca 0.15 0.36 0.00 0.00 -1.95 0.00 0.00 55.36 53.92 1ro5 s GLN 196 Cb -0.13 -3.37 0.00 0.00 -0.22 0.00 0.00 33.01 29.29 1ro5 s GLN 196 CO 0.04 0.33 0.47 0.54 -0.25 0.00 0.00 175.29 176.42