#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5g s THR 2 N 0.00 2.02 0.04 2.03 2.01 -1.26 -5.16 115.64 115.32 2k5g s THR 2 Ca 0.00 -1.94 0.02 0.00 0.31 0.00 0.00 61.69 60.08 2k5g s THR 2 Cb 0.00 -2.96 -0.02 0.00 0.01 0.00 0.00 72.50 69.52 2k5g s THR 2 CO 0.00 0.00 -0.08 -0.44 -0.69 0.00 0.00 174.62 173.41 2k5g s SER 3 N -3.76 0.90 0.63 3.53 0.01 -1.26 -5.04 113.70 108.71 2k5g s SER 3 Ca 0.35 -0.49 0.41 0.00 1.31 0.00 0.00 55.95 57.54 2k5g s SER 3 Cb 0.08 0.01 2.12 0.00 0.21 0.00 0.00 66.02 68.45 2k5g s SER 3 CO 0.18 -0.15 2.25 -0.65 0.41 0.00 0.00 173.24 175.29 2k5g h PRO 4 N 4.71 0.00 -5.98 12.44 0.11 -2.06 -3.39 132.00 137.83 2k5g h PRO 4 Ca -0.35 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.30 2k5g h PRO 4 Cb 1.20 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 2k5g h PRO 4 CO 0.42 0.00 1.13 -1.12 -0.21 0.00 0.00 178.00 178.22 2k5g s SER 5 N -5.26 5.57 -0.74 -2.05 0.01 -1.26 -4.91 113.70 105.05 2k5g s SER 5 Ca -0.03 -0.40 -0.09 0.00 1.31 0.00 0.00 55.95 56.74 2k5g s SER 5 Cb 0.12 -2.55 0.19 0.00 0.21 0.00 0.00 66.02 63.99 2k5g s SER 5 CO 0.44 -2.27 0.63 -0.55 0.41 0.00 0.00 173.24 171.90 2k5g s SER 6 N 6.85 6.10 -0.05 2.44 0.15 -1.26 -4.55 113.70 123.38 2k5g s SER 6 Ca 0.59 -2.76 -0.02 0.00 0.70 0.00 0.00 55.95 54.47 2k5g s SER 6 Cb -0.08 -2.06 0.04 0.00 -1.71 0.00 0.00 66.02 62.21 2k5g s SER 6 CO 0.08 -0.49 0.09 0.00 1.20 0.00 0.00 173.24 174.13 2k5g s ALA 7 N 0.07 -0.02 -0.24 5.45 0.00 -1.26 -5.02 121.76 120.74 2k5g s ALA 7 Ca 0.17 0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.57 2k5g s ALA 7 Cb -0.15 -0.50 0.06 0.00 0.00 0.00 0.00 23.12 22.53 2k5g s ALA 7 CO -0.06 -0.30 -0.07 -0.06 0.00 0.00 0.00 175.76 175.26 2k5g s PHE 8 N 1.60 2.70 -0.06 0.00 0.08 -1.26 -3.77 117.98 117.27 2k5g s PHE 8 Ca -0.03 -1.95 -0.34 0.00 0.12 0.00 0.00 56.93 54.73 2k5g s PHE 8 Cb -0.12 -1.70 -0.12 0.00 -0.57 0.00 0.00 43.02 40.51 2k5g s PHE 8 CO -0.04 -0.81 1.84 -2.30 -0.10 0.00 0.00 175.22 173.81 2k5g n PRO 9 N 4.59 2.17 -3.15 0.24 -0.02 -1.26 -4.92 135.00 132.64 2k5g n PRO 9 Ca -0.13 0.80 -0.45 0.00 -2.02 0.00 0.00 63.50 61.70 2k5g n PRO 9 Cb 0.43 -2.63 -0.04 0.00 -0.02 0.00 0.00 33.50 31.24 2k5g n PRO 9 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2k5g s ASP 10 N 3.69 6.34 0.75 2.55 2.15 -1.26 -4.37 116.67 126.52 2k5g s ASP 10 Ca 0.91 -1.78 0.00 0.00 0.43 0.00 0.00 52.55 52.11 2k5g s ASP 10 Cb -0.69 -2.29 0.00 0.00 -0.30 0.00 0.00 42.92 39.64 2k5g s ASP 10 CO 0.50 -0.98 0.00 0.61 -0.17 0.00 0.00 175.17 175.13 2k5g n GLY 11 N 5.07 1.60 2.86 2.66 0.00 -1.26 -5.00 105.19 111.12 2k5g n GLY 11 Ca -0.02 -0.61 -0.07 0.00 0.00 0.00 0.00 46.02 45.33 2k5g n GLY 11 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2k5g n HIS 12 N 7.41 -3.50 0.00 1.61 -0.00 -1.26 -5.01 115.22 114.48 2k5g n HIS 12 Ca 0.00 1.47 0.00 0.00 -0.00 0.00 0.00 57.72 59.19 2k5g n HIS 12 Cb 0.00 -3.80 0.00 0.00 -0.00 0.00 0.00 29.99 26.19 2k5g n HIS 12 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2k5g n GLY 13 N 0.13 0.00 3.83 1.57 0.00 -1.26 -5.06 105.19 104.40 2k5g n GLY 13 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2k5g n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5g s ALA 14 N 0.00 3.72 -0.34 4.61 0.00 -1.26 -5.03 121.76 123.46 2k5g s ALA 14 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2k5g s ALA 14 Cb 0.00 -1.77 0.14 0.00 0.00 0.00 0.00 23.12 21.49 2k5g s ALA 14 CO 0.00 0.66 0.26 1.03 0.00 0.00 0.00 175.76 177.70 2k5g s ARG 15 N -1.36 0.47 -0.13 0.00 1.81 -1.26 -4.97 118.95 113.51 2k5g s ARG 15 Ca 0.19 -0.87 0.16 0.00 -1.72 0.00 0.00 55.73 53.49 2k5g s ARG 15 Cb -0.12 -1.01 -0.24 0.00 -0.45 0.00 0.00 34.95 33.13 2k5g s ARG 15 CO 0.09 -1.15 0.34 -0.11 -0.68 0.00 0.00 175.30 173.79 2k5g n LEU 16 N 4.50 0.38 -4.55 2.53 7.94 -1.26 -4.59 117.00 121.95 2k5g n LEU 16 Ca 0.06 0.18 -0.42 0.00 -1.11 0.00 0.00 56.01 54.73 2k5g n LEU 16 Cb 0.42 0.35 -0.02 0.00 0.53 0.00 0.00 43.42 44.69 2k5g n LEU 16 CO 0.09 0.44 1.52 -0.62 -1.11 0.00 0.00 177.39 177.71 2k5g s ASP 17 N -5.72 6.60 -0.08 1.96 2.15 -1.26 -4.93 116.67 115.38 2k5g s ASP 17 Ca -0.08 -1.75 -0.03 0.00 0.43 0.00 0.00 52.55 51.13 2k5g s ASP 17 Cb 0.07 -2.55 0.04 0.00 -0.30 0.00 0.00 42.92 40.18 2k5g s ASP 17 CO 0.83 -1.38 0.06 0.00 -0.17 0.00 0.00 175.17 174.51 2k5g s ALA 18 N 4.50 0.39 -0.67 3.66 0.00 -1.26 -4.89 121.76 123.49 2k5g s ALA 18 Ca 0.46 -0.02 0.12 0.00 0.00 0.00 0.00 51.96 52.52 2k5g s ALA 18 Cb 0.00 -0.77 -0.10 0.00 0.00 0.00 0.00 23.12 22.25 2k5g s ALA 18 CO -0.06 -0.68 0.54 1.04 0.00 0.00 0.00 175.76 176.60 2k5g n GLN 19 N 5.26 2.89 -3.88 0.00 6.02 -1.26 -5.01 117.38 121.40 2k5g n GLN 19 Ca -0.05 -0.13 -0.08 0.00 -0.01 0.00 0.00 57.00 56.73 2k5g n GLN 19 Cb 0.50 -1.07 -0.04 0.00 1.02 0.00 0.00 30.24 30.65 2k5g n GLN 19 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2k5g s SER 20 N -2.01 -0.20 -0.34 1.08 1.04 -1.26 -4.94 113.70 107.07 2k5g s SER 20 Ca 0.06 -0.70 -0.11 0.00 0.48 0.00 0.00 55.95 55.68 2k5g s SER 20 Cb 0.09 0.65 -0.00 0.00 0.10 0.00 0.00 66.02 66.86 2k5g s SER 20 CO 0.45 -1.22 0.20 -0.63 0.98 0.00 0.00 173.24 173.02 2k5g s ILE 21 N -3.95 4.87 -0.04 -1.02 1.01 -0.97 -4.99 121.20 116.12 2k5g s ILE 21 Ca 0.15 -0.43 -0.01 0.00 0.00 0.00 0.00 60.65 60.35 2k5g s ILE 21 Cb -0.03 -3.54 0.03 0.00 0.01 0.00 0.00 42.46 38.93 2k5g s ILE 21 CO 0.06 -0.03 0.06 0.00 0.00 0.00 0.00 174.94 175.03 2k5g s ARG 22 N 1.65 -0.03 -0.13 2.79 3.03 -1.24 0.47 118.95 125.49 2k5g s ARG 22 Ca 0.05 0.29 -0.02 0.00 2.03 0.00 0.00 55.73 58.07 2k5g s ARG 22 Cb -0.18 -0.32 0.04 0.00 -1.03 0.00 0.00 34.95 33.47 2k5g s ARG 22 CO 0.08 -0.22 0.03 -0.06 -1.13 0.00 0.00 175.30 173.99 2k5g s PHE 23 N 1.48 0.71 -0.22 5.89 0.40 -0.87 -4.95 117.98 120.42 2k5g s PHE 23 Ca -0.04 -0.41 -0.10 0.00 -0.60 0.00 0.00 56.93 55.78 2k5g s PHE 23 Cb -0.12 -0.85 -0.05 0.00 0.51 0.00 0.00 43.02 42.50 2k5g s PHE 23 CO -0.04 -0.44 0.13 -1.83 0.70 0.00 0.00 175.22 173.74 2k5g s GLU 24 N 1.96 4.05 0.09 0.44 1.03 -1.26 -0.86 118.70 124.15 2k5g s GLU 24 Ca 0.03 -0.29 0.02 0.00 0.03 0.00 0.00 54.97 54.76 2k5g s GLU 24 Cb -0.14 -3.45 -0.04 0.00 -0.80 0.00 0.00 34.13 29.70 2k5g s GLU 24 CO -0.07 0.13 -0.07 1.03 -1.33 0.00 0.00 175.26 174.95 2k5g s ARG 25 N 0.84 0.78 -0.15 -4.83 1.81 0.89 -5.00 118.95 113.29 2k5g s ARG 25 Ca 0.07 -1.23 -0.02 0.00 -1.72 0.00 0.00 55.73 52.83 2k5g s ARG 25 Cb -0.13 -0.23 -0.02 0.00 -0.45 0.00 0.00 34.95 34.12 2k5g s ARG 25 CO 0.02 -0.00 -0.07 -1.17 -0.68 0.00 0.00 175.30 173.40 2k5g s LEU 26 N -2.77 2.99 0.13 2.53 1.98 -1.26 -1.26 118.68 121.01 2k5g s LEU 26 Ca 0.08 -0.25 0.10 0.00 -2.89 0.00 0.00 54.13 51.17 2k5g s LEU 26 Cb 0.02 -1.71 -0.04 0.00 0.66 0.00 0.00 46.19 45.13 2k5g s LEU 26 CO -0.04 0.14 -0.24 -0.76 -1.89 0.00 0.00 176.35 173.56 2k5g s LEU 27 N 0.52 2.45 0.30 -0.68 2.01 0.85 -4.94 118.68 119.19 2k5g s LEU 27 Ca -0.05 -0.69 -0.27 0.00 0.01 0.00 0.00 54.13 53.13 2k5g s LEU 27 Cb -0.15 -1.33 -0.10 0.00 0.01 0.00 0.00 46.19 44.62 2k5g s LEU 27 CO 0.03 0.18 0.95 -2.16 1.01 0.00 0.00 176.35 176.36 2k5g s PRO 28 N -2.10 4.65 0.00 1.29 0.04 -1.26 -0.31 135.00 137.31 2k5g s PRO 28 Ca 0.15 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.59 2k5g s PRO 28 Cb -0.10 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.50 2k5g s PRO 28 CO 0.07 0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.86 2k5g n GLY 29 N 0.84 2.98 0.23 0.56 0.00 -0.57 -4.62 105.19 104.61 2k5g n GLY 29 Ca 0.01 -1.97 -0.15 0.00 0.00 0.00 0.00 46.02 43.90 2k5g n GLY 29 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k5g h PRO 30 N 0.00 -0.51 0.00 1.61 0.13 -1.84 -2.22 132.00 129.17 2k5g h PRO 30 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2k5g h PRO 30 Cb 0.00 0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.25 2k5g h PRO 30 CO 0.00 -0.31 0.00 1.51 -0.23 0.00 0.00 178.00 178.97 2k5g n ILE 31 N -5.30 0.00 -0.28 -3.56 3.06 -1.26 -4.22 119.36 107.79 2k5g n ILE 31 Ca -0.11 0.00 -0.06 0.00 -2.50 0.00 0.00 62.75 60.08 2k5g n ILE 31 Cb 0.24 0.00 0.06 0.00 0.54 0.00 0.00 39.64 40.48 2k5g n ILE 31 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 2k5g h GLU 32 N 0.00 1.14 -0.86 9.51 4.39 -1.97 -0.26 114.58 126.54 2k5g h GLU 32 Ca 0.00 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.50 2k5g h GLU 32 Cb 0.00 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.42 2k5g h GLU 32 CO 0.00 0.93 0.55 -0.09 -1.16 0.00 0.00 179.01 179.24 2k5g h ARG 33 N 1.11 1.15 -0.20 2.33 2.43 -1.93 0.22 114.38 119.49 2k5g h ARG 33 Ca 0.26 -0.08 -0.21 0.00 -0.81 0.00 0.00 59.98 59.13 2k5g h ARG 33 Cb 0.20 -0.25 0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2k5g h ARG 33 CO -0.02 0.78 -0.69 0.28 -1.51 0.00 0.00 179.97 178.81 2k5g h VAL 34 N 1.18 1.28 -0.53 0.20 2.07 -1.74 -3.10 116.25 115.61 2k5g h VAL 34 Ca 0.31 -1.88 -0.06 0.00 0.82 0.00 0.00 66.70 65.90 2k5g h VAL 34 Cb -0.10 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2k5g h VAL 34 CO -0.06 0.60 0.10 -0.25 0.02 0.00 0.00 177.57 177.98 2k5g h TRP 35 N 0.58 0.85 -0.72 1.57 2.91 -0.69 -3.16 115.95 117.29 2k5g h TRP 35 Ca -0.03 -0.09 0.16 0.00 1.13 0.00 0.00 58.89 60.06 2k5g h TRP 35 Cb 1.32 -0.25 -0.12 0.00 -0.51 0.00 0.00 29.16 29.60 2k5g h TRP 35 CO 0.08 0.74 0.09 0.00 -1.03 0.00 0.00 178.44 178.32 2k5g h ALA 36 N 1.32 0.84 0.00 2.65 0.00 -0.48 0.32 119.26 123.91 2k5g h ALA 36 Ca 0.17 0.20 -0.09 0.00 0.00 0.00 0.00 54.91 55.19 2k5g h ALA 36 Cb 0.33 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2k5g h ALA 36 CO 0.00 -0.39 -0.44 -1.49 0.00 0.00 0.00 179.25 176.94 2k5g h TRP 37 N 0.18 0.00 -0.18 0.00 -0.00 -1.66 0.86 115.95 115.14 2k5g h TRP 37 Ca 0.40 0.00 -0.16 0.00 -0.00 0.00 0.00 58.89 59.13 2k5g h TRP 37 Cb 0.70 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.85 2k5g h TRP 37 CO -0.33 0.44 -0.55 -0.07 -0.00 0.00 0.00 178.44 177.93 2k5g h LEU 38 N 0.00 0.60 0.00 -4.49 3.38 -0.52 -3.37 115.31 110.91 2k5g h LEU 38 Ca -0.00 -0.32 -0.38 0.00 0.09 0.00 0.00 57.88 57.27 2k5g h LEU 38 Cb 1.08 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.59 2k5g h LEU 38 CO 0.06 1.02 -2.45 0.00 0.09 0.00 0.00 178.44 177.17 2k5g n ALA 39 N -2.52 1.45 -1.55 1.53 0.00 -0.13 -4.91 120.51 114.39 2k5g n ALA 39 Ca -0.03 -1.10 -0.46 0.00 0.00 0.00 0.00 53.44 51.85 2k5g n ALA 39 Cb 0.60 -0.09 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 2k5g n ALA 39 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k5g n ASP 40 N -3.22 2.92 0.28 0.00 2.03 0.28 -4.81 116.55 114.03 2k5g n ASP 40 Ca -0.44 0.29 0.17 0.00 0.52 0.00 0.00 54.79 55.32 2k5g n ASP 40 Cb 0.99 -1.46 0.77 0.00 -0.72 0.00 0.00 41.12 40.69 2k5g n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k5g h ALA 41 N 14.08 1.05 -0.19 -1.67 0.00 -1.90 0.46 119.26 131.09 2k5g h ALA 41 Ca -0.37 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 2k5g h ALA 41 Cb 1.27 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2k5g h ALA 41 CO 0.98 0.07 -0.02 0.22 0.00 0.00 0.00 179.25 180.49 2k5g h ASP 42 N 0.00 0.35 -0.00 0.00 3.58 -1.97 -1.93 116.42 116.44 2k5g h ASP 42 Ca -0.00 -0.34 -0.25 0.00 0.42 0.00 0.00 57.03 56.86 2k5g h ASP 42 Cb 0.41 -0.09 0.02 0.00 1.72 0.00 0.00 39.33 41.39 2k5g h ASP 42 CO 0.01 0.60 -0.98 0.50 -2.88 0.00 0.00 179.24 176.49 2k5g h LYS 43 N 0.08 0.70 -0.38 0.28 3.64 -1.76 -3.20 116.57 115.93 2k5g h LYS 43 Ca 0.05 -0.71 0.06 0.00 -1.27 0.00 0.00 60.65 58.78 2k5g h LYS 43 Cb 0.44 0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 2k5g h LYS 43 CO 0.01 1.29 0.26 -0.09 -2.27 0.00 0.00 179.45 178.66 2k5g h ARG 44 N 0.42 0.27 0.00 1.90 2.43 -0.04 0.37 114.38 119.72 2k5g h ARG 44 Ca -0.11 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2k5g h ARG 44 Cb 1.62 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.11 2k5g h ARG 44 CO 0.19 0.18 0.00 0.00 -1.51 0.00 0.00 179.97 178.83 2k5g n ALA 45 N -2.53 2.47 -0.07 2.80 0.00 -0.73 0.31 120.51 122.75 2k5g n ALA 45 Ca 0.05 -0.16 -0.08 0.00 0.00 0.00 0.00 53.44 53.25 2k5g n ALA 45 Cb 0.25 -1.45 -0.08 0.00 0.00 0.00 0.00 19.45 18.17 2k5g n ALA 45 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2k5g n ARG 46 N -1.12 1.14 -0.00 0.00 3.00 0.12 -4.61 116.66 115.19 2k5g n ARG 46 Ca 0.18 0.05 0.03 0.00 -0.00 0.00 0.00 57.85 58.10 2k5g n ARG 46 Cb 0.15 -1.30 -0.04 0.00 0.00 0.00 0.00 32.46 31.26 2k5g n ARG 46 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.63 174.96 2k5g n TRP 47 N -2.71 0.00 0.01 -0.14 4.27 -0.67 -4.50 117.44 113.70 2k5g n TRP 47 Ca -0.23 0.00 -0.00 0.00 -3.89 0.00 0.00 57.50 53.38 2k5g n TRP 47 Cb 0.83 -0.08 -0.00 0.00 -1.36 0.00 0.00 31.31 30.70 2k5g n TRP 47 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 2k5g n LEU 48 N -1.45 0.26 0.00 5.67 7.94 0.03 -4.85 117.00 124.60 2k5g n LEU 48 Ca -0.00 0.03 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 2k5g n LEU 48 Cb 0.13 -0.08 0.00 0.00 0.53 0.00 0.00 43.42 44.00 2k5g n LEU 48 CO 0.13 -0.56 0.00 0.00 -1.11 0.00 0.00 177.39 175.85 2k5g n ALA 49 N -2.73 0.00 0.00 1.96 0.00 0.15 -4.30 120.51 115.58 2k5g n ALA 49 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k5g n ALA 49 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2k5g n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5g n GLY 50 N -0.58 2.23 0.00 0.00 0.00 -0.91 -4.44 105.19 101.49 2k5g n GLY 50 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.03 2k5g n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5g n GLY 51 N 0.86 1.07 3.89 -0.02 0.00 -1.26 -3.99 105.19 105.74 2k5g n GLY 51 Ca 0.00 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 2k5g n GLY 51 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k5g s GLU 52 N -1.78 3.59 0.44 1.61 -6.30 -1.26 -4.88 118.70 110.11 2k5g s GLU 52 Ca 0.00 0.49 -0.22 0.00 -2.50 0.00 0.00 54.97 52.74 2k5g s GLU 52 Cb 0.00 -2.23 -0.09 0.00 0.00 0.00 0.00 34.13 31.81 2k5g s GLU 52 CO 0.00 -0.38 1.05 -0.51 0.02 0.00 0.00 175.26 175.44 2k5g s LEU 53 N -4.91 4.00 0.00 2.70 1.43 -1.26 -4.67 118.68 115.97 2k5g s LEU 53 Ca 0.51 2.00 -0.08 0.00 -1.03 0.00 0.00 54.13 55.53 2k5g s LEU 53 Cb -0.11 -4.36 0.12 0.00 0.03 0.00 0.00 46.19 41.87 2k5g s LEU 53 CO 0.49 -0.64 0.51 -2.65 0.23 0.00 0.00 176.35 174.28 2k5g n PRO 54 N -0.51 -1.43 0.06 1.29 -0.02 -1.26 -5.00 135.00 128.13 2k5g n PRO 54 Ca 0.07 -0.80 0.04 0.00 -2.02 0.00 0.00 63.50 60.79 2k5g n PRO 54 Cb 0.51 -0.66 -0.05 0.00 -0.02 0.00 0.00 33.50 33.28 2k5g n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k5g h ARG 55 N 0.00 0.00 -5.71 -0.52 2.47 -2.01 -3.46 114.38 105.15 2k5g h ARG 55 Ca -0.18 0.00 -0.66 0.00 -1.26 0.00 0.00 59.98 57.88 2k5g h ARG 55 Cb 0.53 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.78 2k5g h ARG 55 CO 0.12 0.18 -0.49 -0.65 0.56 0.00 0.00 179.97 179.70 2k5g s GLN 56 N -3.09 3.43 -0.17 0.04 -0.21 -1.26 -5.08 119.66 113.32 2k5g s GLN 56 Ca -0.02 -0.21 -0.22 0.00 0.02 0.00 0.00 55.36 54.94 2k5g s GLN 56 Cb 0.09 -3.15 -0.03 0.00 1.00 0.00 0.00 33.01 30.93 2k5g s GLN 56 CO 0.80 0.74 0.66 -1.25 -2.12 0.00 0.00 175.29 174.12 2k5g s PRO 57 N -1.36 4.26 0.00 2.91 0.04 -1.26 -3.56 135.00 136.03 2k5g s PRO 57 Ca 0.19 0.70 0.00 0.00 0.04 0.00 0.00 61.00 61.94 2k5g s PRO 57 Cb -0.12 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.86 2k5g s PRO 57 CO 0.09 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.34 2k5g n GLY 58 N 3.63 1.41 3.14 0.56 0.00 0.32 -5.00 105.19 109.25 2k5g n GLY 58 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2k5g n GLY 58 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k5g n GLN 59 N -0.90 -1.47 -5.05 1.61 6.02 -1.23 -4.82 117.38 111.53 2k5g n GLN 59 Ca 0.00 -1.65 -0.29 0.00 -0.01 0.00 0.00 57.00 55.05 2k5g n GLN 59 Cb 0.00 -1.19 -0.16 0.00 1.02 0.00 0.00 30.24 29.91 2k5g n GLN 59 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2k5g s THR 60 N -3.24 1.77 0.47 5.09 -4.23 -1.26 -2.45 115.64 111.78 2k5g s THR 60 Ca 0.62 -0.89 0.06 0.00 -1.18 0.00 0.00 61.69 60.30 2k5g s THR 60 Cb -0.03 -1.52 -0.01 0.00 1.34 0.00 0.00 72.50 72.28 2k5g s THR 60 CO 0.44 0.50 0.27 0.72 -0.54 0.00 0.00 174.62 176.01 2k5g s PHE 61 N 0.10 2.22 -0.33 3.99 -0.71 0.11 -4.80 117.98 118.57 2k5g s PHE 61 Ca -0.08 -0.69 -0.13 0.00 -1.04 0.00 0.00 56.93 54.99 2k5g s PHE 61 Cb -0.14 -1.95 -0.02 0.00 -1.21 0.00 0.00 43.02 39.69 2k5g s PHE 61 CO 0.04 -0.09 0.26 -1.83 -1.34 0.00 0.00 175.22 172.27 2k5g s GLU 62 N -4.07 3.63 -0.16 1.99 -1.05 -1.26 0.04 118.70 117.82 2k5g s GLU 62 Ca 0.37 -0.50 -0.02 0.00 -0.15 0.00 0.00 54.97 54.67 2k5g s GLU 62 Cb 0.00 -3.77 -0.02 0.00 -0.44 0.00 0.00 34.13 29.91 2k5g s GLU 62 CO 0.21 -0.40 -0.09 -1.17 0.95 0.00 0.00 175.26 174.76 2k5g s LEU 63 N 1.81 2.86 -0.07 1.83 1.98 -0.77 -4.28 118.68 122.04 2k5g s LEU 63 Ca 0.08 -0.31 -0.30 0.00 -2.89 0.00 0.00 54.13 50.72 2k5g s LEU 63 Cb -0.17 -1.67 -0.02 0.00 0.66 0.00 0.00 46.19 44.99 2k5g s LEU 63 CO 0.11 0.12 1.00 -1.00 -1.89 0.00 0.00 176.35 174.69 2k5g s HIS 64 N 0.63 3.56 -1.63 5.38 3.76 -1.26 -2.74 115.29 123.00 2k5g s HIS 64 Ca -0.05 1.63 0.18 0.00 -0.15 0.00 0.00 55.06 56.67 2k5g s HIS 64 Cb -0.15 -3.17 0.99 0.00 1.11 0.00 0.00 32.58 31.36 2k5g s HIS 64 CO 0.03 -0.17 1.54 1.19 -0.85 0.00 0.00 174.74 176.47 2k5g n PHE 65 N 4.61 0.00 -2.70 1.40 3.72 0.55 -4.36 117.46 120.67 2k5g n PHE 65 Ca 0.08 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.06 2k5g n PHE 65 Cb 0.49 -0.18 -0.03 0.00 -0.94 0.00 0.00 39.48 38.82 2k5g n PHE 65 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2k5g s ASN 66 N -2.37 6.17 -0.10 4.37 2.47 -1.07 -4.52 114.94 119.89 2k5g s ASN 66 Ca 0.21 -0.69 0.16 0.00 0.42 0.00 0.00 52.86 52.96 2k5g s ASN 66 Cb 0.12 -2.49 0.36 0.00 -1.45 0.00 0.00 41.25 37.79 2k5g s ASN 66 CO 0.26 -1.63 1.17 0.00 -3.72 0.00 0.00 177.10 173.17 2k5g n HIS 67 N 8.52 0.00 0.00 0.43 1.44 0.42 -4.37 115.22 121.67 2k5g n HIS 67 Ca -0.00 -0.91 0.00 0.00 -2.01 0.00 0.00 57.72 54.79 2k5g n HIS 67 Cb 0.47 -0.18 0.00 0.00 0.12 0.00 0.00 29.99 30.40 2k5g n HIS 67 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2k5g n ALA 68 N -0.48 0.00 0.00 1.59 0.00 -0.96 -4.85 120.51 115.81 2k5g n ALA 68 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2k5g n ALA 68 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.29 2k5g n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k5g n ALA 69 N -1.92 0.00 1.26 0.00 0.00 -1.26 -2.98 120.51 115.61 2k5g n ALA 69 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2k5g n ALA 69 Cb 0.00 0.00 0.44 0.00 0.00 0.00 0.00 19.45 19.89 2k5g n ALA 69 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2k5g n LEU 70 N 0.00 0.79 0.00 0.00 -0.00 -1.26 -4.87 117.00 111.66 2k5g n LEU 70 Ca 0.00 -0.14 -0.07 0.00 -0.00 0.00 0.00 56.01 55.80 2k5g n LEU 70 Cb 0.00 -0.16 -0.02 0.00 -0.00 0.00 0.00 43.42 43.24 2k5g n LEU 70 CO 0.00 0.15 0.01 0.41 -0.00 0.00 0.00 177.39 177.96 2k5g n THR 71 N -0.84 0.00 0.00 1.47 -1.04 -1.16 -4.99 114.28 107.72 2k5g n THR 71 Ca 0.12 -0.88 0.00 0.00 -2.04 0.00 0.00 64.05 61.25 2k5g n THR 71 Cb 0.33 0.48 0.00 0.00 -1.82 0.00 0.00 70.33 69.32 2k5g n THR 71 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k5g n ALA 72 N -2.05 0.00 -0.45 2.41 0.00 -1.26 -4.86 120.51 114.30 2k5g n ALA 72 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2k5g n ALA 72 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 2k5g n ALA 72 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k5g n GLU 73 N 0.00 0.00 -4.81 0.00 4.71 -1.26 -4.54 120.64 114.74 2k5g n GLU 73 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.16 56.82 2k5g n GLU 73 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 31.44 30.29 2k5g n GLU 73 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 2k5g s THR 74 N 0.00 3.01 0.19 2.62 2.01 -1.26 -5.05 115.64 117.16 2k5g s THR 74 Ca 0.00 -0.68 -0.20 0.00 0.31 0.00 0.00 61.69 61.12 2k5g s THR 74 Cb 0.00 -2.25 0.05 0.00 0.01 0.00 0.00 72.50 70.30 2k5g s THR 74 CO 0.00 0.53 0.58 0.00 -0.69 0.00 0.00 174.62 175.04 2k5g s ALA 75 N 0.25 -1.27 1.01 7.40 0.00 -1.26 -5.04 121.76 122.85 2k5g s ALA 75 Ca -0.09 0.09 -0.14 0.00 0.00 0.00 0.00 51.96 51.81 2k5g s ALA 75 Cb -0.16 0.85 0.09 0.00 0.00 0.00 0.00 23.12 23.91 2k5g s ALA 75 CO 0.05 -0.81 0.46 -2.30 0.00 0.00 0.00 175.76 173.16 2k5g n PRO 76 N -0.37 -0.86 0.29 0.00 -0.02 -1.26 -4.37 135.00 128.42 2k5g n PRO 76 Ca -0.13 -0.21 0.15 0.00 -2.02 0.00 0.00 63.50 61.29 2k5g n PRO 76 Cb 0.63 -1.92 0.90 0.00 -0.02 0.00 0.00 33.50 33.09 2k5g n PRO 76 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k5g h ALA 77 N -1.85 1.56 -0.09 3.55 0.00 -2.02 0.23 119.26 120.64 2k5g h ALA 77 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2k5g h ALA 77 Cb 1.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2k5g h ALA 77 CO 0.38 0.00 0.00 2.89 0.00 0.00 0.00 179.25 182.52 2k5g n ARG 78 N -3.90 2.05 -0.03 0.00 1.85 -1.26 -3.97 116.66 111.40 2k5g n ARG 78 Ca -0.03 -1.54 -0.03 0.00 -1.00 0.00 0.00 57.85 55.25 2k5g n ARG 78 Cb 0.08 -1.47 -0.05 0.00 -1.05 0.00 0.00 32.46 29.98 2k5g n ARG 78 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2k5g n TYR 79 N 0.84 0.00 0.34 2.89 4.01 0.45 -4.40 117.16 121.30 2k5g n TYR 79 Ca 0.17 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.97 2k5g n TYR 79 Cb 0.48 -0.28 0.27 0.00 -0.31 0.00 0.00 39.34 39.50 2k5g n TYR 79 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2k5g n ALA 80 N -2.20 1.46 -0.03 -0.72 0.00 0.50 -2.42 120.51 117.09 2k5g n ALA 80 Ca -0.09 -0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.38 2k5g n ALA 80 Cb 0.68 -1.20 0.41 0.00 0.00 0.00 0.00 19.45 19.34 2k5g n ALA 80 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2k5g h GLN 81 N 0.00 0.58 -0.00 0.00 4.15 -1.77 -2.35 115.11 115.72 2k5g h GLN 81 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 2k5g h GLN 81 Cb 0.19 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.75 2k5g h GLN 81 CO 0.00 0.38 -0.28 0.66 -1.93 0.00 0.00 178.83 177.66 2k5g n TYR 82 N -4.47 0.00 0.02 3.99 4.01 -1.02 -3.68 117.16 116.01 2k5g n TYR 82 Ca 0.04 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.86 2k5g n TYR 82 Cb 0.08 -0.21 0.16 0.00 -0.31 0.00 0.00 39.34 39.07 2k5g n TYR 82 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2k5g n ASP 83 N -1.08 2.96 -4.63 7.72 2.03 -0.89 -0.43 116.55 122.23 2k5g n ASP 83 Ca 0.10 -1.89 -0.33 0.00 0.52 0.00 0.00 54.79 53.19 2k5g n ASP 83 Cb 0.33 -0.22 -0.10 0.00 -0.72 0.00 0.00 41.12 40.41 2k5g n ASP 83 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2k5g s ARG 84 N -1.08 2.72 -0.73 -0.67 0.52 -1.20 -4.82 118.95 113.70 2k5g s ARG 84 Ca 0.27 -0.61 -0.26 0.00 -0.52 0.00 0.00 55.73 54.61 2k5g s ARG 84 Cb 0.15 -2.61 0.01 0.00 0.52 0.00 0.00 34.95 33.02 2k5g s ARG 84 CO 0.21 0.63 1.54 -1.25 0.02 0.00 0.00 175.30 176.46 2k5g s PRO 85 N -1.28 2.98 -0.27 3.54 0.04 -1.26 -2.59 135.00 136.17 2k5g s PRO 85 Ca 0.16 -0.01 -0.06 0.00 0.04 0.00 0.00 61.00 61.13 2k5g s PRO 85 Cb -0.11 -4.41 -0.01 0.00 0.04 0.00 0.00 34.50 30.02 2k5g s PRO 85 CO 0.07 -2.44 0.05 0.42 0.04 0.00 0.00 177.00 175.14 2k5g s ILE 86 N 7.15 3.94 -0.56 0.56 1.01 -1.26 -4.91 121.20 127.13 2k5g s ILE 86 Ca 0.50 -0.50 -0.23 0.00 0.00 0.00 0.00 60.65 60.42 2k5g s ILE 86 Cb -0.09 -2.93 0.05 0.00 0.01 0.00 0.00 42.46 39.50 2k5g s ILE 86 CO 0.14 0.23 0.91 -0.69 0.00 0.00 0.00 174.94 175.53 2k5g s VAL 87 N 1.53 4.43 -0.10 2.92 1.01 -1.26 -0.33 120.40 128.60 2k5g s VAL 87 Ca 0.04 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.17 2k5g s VAL 87 Cb -0.16 -4.53 0.01 0.00 0.00 0.00 0.00 36.38 31.70 2k5g s VAL 87 CO 0.02 -1.12 -0.20 0.00 0.00 0.00 0.00 175.10 173.79 2k5g s ALA 88 N 3.82 1.97 0.33 5.51 0.00 -1.11 -5.00 121.76 127.28 2k5g s ALA 88 Ca 0.28 -0.87 -0.25 0.00 0.00 0.00 0.00 51.96 51.11 2k5g s ALA 88 Cb -0.14 -0.82 -0.10 0.00 0.00 0.00 0.00 23.12 22.07 2k5g s ALA 88 CO 0.17 0.13 0.94 -0.98 0.00 0.00 0.00 175.76 176.03 2k5g s ARG 89 N 0.60 4.54 0.05 0.00 1.70 -1.26 -1.85 118.95 122.73 2k5g s ARG 89 Ca -0.14 1.30 0.04 0.00 -0.47 0.00 0.00 55.73 56.46 2k5g s ARG 89 Cb -0.17 -2.73 -0.02 0.00 -0.57 0.00 0.00 34.95 31.46 2k5g s ARG 89 CO 0.04 0.25 -0.11 -1.01 -1.08 0.00 0.00 175.30 173.39 2k5g s HIS 90 N -1.68 0.94 0.00 5.89 3.76 0.11 -4.87 115.29 119.44 2k5g s HIS 90 Ca 0.51 -0.45 -0.25 0.00 -0.15 0.00 0.00 55.06 54.73 2k5g s HIS 90 Cb -0.17 -0.54 -0.05 0.00 1.11 0.00 0.00 32.58 32.92 2k5g s HIS 90 CO 0.22 -0.01 0.76 0.99 -0.85 0.00 0.00 174.74 175.85 2k5g s THR 91 N -1.23 4.86 -0.15 1.30 2.01 -1.26 0.08 115.64 121.25 2k5g s THR 91 Ca -0.05 1.59 -0.15 0.00 0.31 0.00 0.00 61.69 63.39 2k5g s THR 91 Cb -0.09 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 2k5g s THR 91 CO 0.01 0.31 0.34 -1.48 -0.69 0.00 0.00 174.62 173.11 2k5g s LEU 92 N 0.32 4.24 0.00 4.42 2.34 -1.03 0.10 118.68 129.08 2k5g s LEU 92 Ca 0.39 0.57 0.00 0.00 0.06 0.00 0.00 54.13 55.15 2k5g s LEU 92 Cb -0.19 -2.45 0.00 0.00 -0.56 0.00 0.00 46.19 42.98 2k5g s LEU 92 CO 0.22 0.07 0.00 -0.11 -1.06 0.00 0.00 176.35 175.46 2k5g n LEU 93 N 3.66 0.01 -4.30 1.48 -0.00 0.89 -0.52 117.00 118.22 2k5g n LEU 93 Ca -0.11 0.00 -0.44 0.00 -0.00 0.00 0.00 56.01 55.46 2k5g n LEU 93 Cb 0.52 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.87 2k5g n LEU 93 CO 0.41 0.00 0.07 -0.60 -0.00 0.00 0.00 177.39 177.27 2k5g s ARG 94 N 0.00 2.84 -0.45 1.96 3.52 -1.23 -4.46 118.95 121.13 2k5g s ARG 94 Ca 0.00 -1.66 -0.01 0.00 -0.13 0.00 0.00 55.73 53.94 2k5g s ARG 94 Cb 0.00 -4.16 0.12 0.00 -1.56 0.00 0.00 34.95 29.35 2k5g s ARG 94 CO 0.00 -1.23 0.22 0.00 -0.81 0.00 0.00 175.30 173.48 2k5g s GLU 96 N 0.69 1.15 0.33 0.00 2.02 0.39 -5.02 118.70 118.27 2k5g s GLU 96 Ca 0.12 -2.00 -0.24 0.00 0.02 0.00 0.00 54.97 52.86 2k5g s GLU 96 Cb -0.22 -2.01 -0.10 0.00 0.10 0.00 0.00 34.13 31.90 2k5g s GLU 96 CO -0.04 -1.23 0.91 -2.14 0.02 0.00 0.00 175.26 172.77 2k5g s PRO 97 N 0.28 4.44 -0.48 0.39 0.02 -1.26 -2.17 135.00 136.22 2k5g s PRO 97 Ca 0.22 1.20 -0.15 0.00 0.02 0.00 0.00 61.00 62.28 2k5g s PRO 97 Cb -0.16 -2.66 0.08 0.00 0.02 0.00 0.00 34.50 31.78 2k5g s PRO 97 CO -0.06 0.22 0.41 -1.25 -0.33 0.00 0.00 177.00 176.00 2k5g s PRO 98 N -2.32 2.97 0.18 5.54 0.04 -1.26 -5.00 135.00 135.15 2k5g s PRO 98 Ca 0.52 -1.43 0.00 0.00 0.04 0.00 0.00 61.00 60.13 2k5g s PRO 98 Cb -0.16 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.22 2k5g s PRO 98 CO 0.21 -1.09 0.00 -2.13 0.04 0.00 0.00 177.00 174.03 2k5g n ARG 99 N 5.21 0.00 -4.45 4.56 3.00 -0.95 -5.04 116.66 118.99 2k5g n ARG 99 Ca -0.13 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.50 2k5g n ARG 99 Cb 0.43 0.00 -0.16 0.00 0.00 0.00 0.00 32.46 32.73 2k5g n ARG 99 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2k5g s VAL 100 N -1.50 0.92 -0.03 5.15 1.01 -0.92 -0.31 120.40 124.72 2k5g s VAL 100 Ca 0.00 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.64 2k5g s VAL 100 Cb 0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.52 2k5g s VAL 100 CO 0.00 0.30 -0.14 -1.48 0.00 0.00 0.00 175.10 173.78 2k5g s LEU 101 N 0.59 1.89 -0.01 3.92 0.05 -0.23 -0.46 118.68 124.44 2k5g s LEU 101 Ca -0.11 -0.28 0.00 0.00 0.05 0.00 0.00 54.13 53.79 2k5g s LEU 101 Cb -0.14 -0.79 0.01 0.00 -2.05 0.00 0.00 46.19 43.22 2k5g s LEU 101 CO 0.02 0.13 -0.01 0.00 -0.55 0.00 0.00 176.35 175.95 2k5g s ALA 102 N 0.01 0.12 0.33 1.48 0.00 0.73 -0.08 121.76 124.35 2k5g s ALA 102 Ca -0.02 0.02 0.03 0.00 0.00 0.00 0.00 51.96 51.99 2k5g s ALA 102 Cb -0.09 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 2k5g s ALA 102 CO 0.01 -0.00 0.12 -0.48 0.00 0.00 0.00 175.76 175.41 2k5g s LEU 103 N 0.22 1.85 -0.05 0.00 2.34 -0.30 -0.08 118.68 122.66 2k5g s LEU 103 Ca -0.02 -1.52 0.01 0.00 0.06 0.00 0.00 54.13 52.66 2k5g s LEU 103 Cb -0.03 -0.03 -0.03 0.00 -0.56 0.00 0.00 46.19 45.54 2k5g s LEU 103 CO -0.01 -0.82 -0.05 0.42 -1.06 0.00 0.00 176.35 174.83 2k5g s THR 104 N -3.47 3.80 0.02 5.48 -4.23 0.12 1.00 115.64 118.36 2k5g s THR 104 Ca 0.33 -0.54 0.04 0.00 -1.18 0.00 0.00 61.69 60.35 2k5g s THR 104 Cb 0.06 -2.60 -0.03 0.00 1.34 0.00 0.00 72.50 71.27 2k5g s THR 104 CO 0.16 0.53 -0.08 0.86 -0.54 0.00 0.00 174.62 175.54 2k5g s TRP 105 N -0.89 2.83 0.00 3.99 -0.11 0.12 -4.32 118.94 120.56 2k5g s TRP 105 Ca 0.14 -0.08 0.00 0.00 1.22 0.00 0.00 56.10 57.38 2k5g s TRP 105 Cb -0.11 -1.57 0.00 0.00 -1.50 0.00 0.00 33.47 30.29 2k5g s TRP 105 CO 0.04 0.37 0.00 0.41 -4.62 0.00 0.00 176.95 173.14 2k5g n GLY 106 N 1.41 1.35 7.00 5.86 0.00 -1.26 0.37 105.19 119.92 2k5g n GLY 106 Ca -0.15 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2k5g n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5g n GLY 107 N 0.00 0.18 4.83 -0.02 0.00 -1.26 -4.65 105.19 104.28 2k5g n GLY 107 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.09 2k5g n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5g n GLY 108 N 0.00 2.28 3.51 -0.02 0.00 -1.24 -4.83 105.19 104.90 2k5g n GLY 108 Ca 0.00 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 2k5g n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5g s ALA 109 N -0.49 2.92 0.00 4.61 0.00 -1.26 -4.62 121.76 122.92 2k5g s ALA 109 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 51.96 50.15 2k5g s ALA 109 Cb 0.00 -4.15 0.00 0.00 0.00 0.00 0.00 23.12 18.97 2k5g s ALA 109 CO 0.00 -3.15 0.00 0.41 0.00 0.00 0.00 175.76 173.02 2k5g n GLY 110 N 5.63 1.70 3.87 0.00 0.00 -1.26 -4.89 105.19 110.24 2k5g n GLY 110 Ca 0.08 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 2k5g n GLY 110 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k5g s GLU 111 N 0.00 1.09 0.12 1.61 0.41 -1.26 -4.89 118.70 115.77 2k5g s GLU 111 Ca 0.00 -0.08 -0.16 0.00 -0.41 0.00 0.00 54.97 54.32 2k5g s GLU 111 Cb 0.00 -1.87 -0.07 0.00 -1.78 0.00 0.00 34.13 30.41 2k5g s GLU 111 CO 0.00 -2.16 0.55 0.00 -0.49 0.00 0.00 175.26 173.16 2k5g s ALA 112 N -3.62 3.58 0.19 5.21 0.00 -1.26 -3.63 121.76 122.24 2k5g s ALA 112 Ca 0.68 -0.07 -0.27 0.00 0.00 0.00 0.00 51.96 52.29 2k5g s ALA 112 Cb -0.09 -2.56 -0.08 0.00 0.00 0.00 0.00 23.12 20.39 2k5g s ALA 112 CO 0.52 0.43 0.85 -2.14 0.00 0.00 0.00 175.76 175.42 2k5g s PRO 113 N -1.66 4.69 0.93 0.00 0.02 -1.26 -4.00 135.00 133.72 2k5g s PRO 113 Ca 0.35 1.30 -0.16 0.00 0.02 0.00 0.00 61.00 62.51 2k5g s PRO 113 Cb -0.16 -3.27 0.22 0.00 0.02 0.00 0.00 34.50 31.30 2k5g s PRO 113 CO 0.19 0.53 1.04 0.43 -0.33 0.00 0.00 177.00 178.86 2k5g n SER 114 N 1.62 -0.84 -4.05 2.53 7.64 0.16 -4.79 113.62 115.89 2k5g n SER 114 Ca -0.04 -1.25 -0.15 0.00 1.01 0.00 0.00 58.87 58.44 2k5g n SER 114 Cb 0.48 -0.86 -0.12 0.00 -1.01 0.00 0.00 64.21 62.70 2k5g n SER 114 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2k5g s GLU 115 N -5.30 0.56 -0.18 1.43 2.12 -0.09 0.15 118.70 117.38 2k5g s GLU 115 Ca 0.62 -0.63 0.01 0.00 0.36 0.00 0.00 54.97 55.33 2k5g s GLU 115 Cb -0.04 -0.41 0.03 0.00 0.26 0.00 0.00 34.13 33.98 2k5g s GLU 115 CO 0.46 0.09 -0.12 0.08 -0.54 0.00 0.00 175.26 175.23 2k5g s VAL 116 N -1.02 1.62 -0.26 3.70 1.01 0.28 0.11 120.40 125.85 2k5g s VAL 116 Ca -0.06 -0.86 -0.09 0.00 0.00 0.00 0.00 61.98 60.97 2k5g s VAL 116 Cb -0.08 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 2k5g s VAL 116 CO 0.00 0.29 0.13 -0.22 0.00 0.00 0.00 175.10 175.31 2k5g s LEU 117 N 1.43 3.78 -0.26 3.92 1.98 0.16 -1.15 118.68 128.54 2k5g s LEU 117 Ca 0.01 -0.08 -0.08 0.00 -2.89 0.00 0.00 54.13 51.09 2k5g s LEU 117 Cb -0.15 -2.03 -0.03 0.00 0.66 0.00 0.00 46.19 44.64 2k5g s LEU 117 CO -0.09 -0.03 0.10 -0.36 -1.89 0.00 0.00 176.35 174.08 2k5g s PHE 118 N 1.60 3.12 -0.19 5.38 0.08 0.89 -0.48 117.98 128.38 2k5g s PHE 118 Ca 0.07 -0.29 0.01 0.00 0.12 0.00 0.00 56.93 56.83 2k5g s PHE 118 Cb -0.15 -2.27 0.04 0.00 -0.57 0.00 0.00 43.02 40.06 2k5g s PHE 118 CO 0.07 -0.31 -0.10 -1.21 -0.10 0.00 0.00 175.22 173.57 2k5g s GLU 119 N 1.64 1.99 -0.18 0.44 2.02 -1.16 -1.07 118.70 122.38 2k5g s GLU 119 Ca 0.06 -0.75 -0.04 0.00 0.02 0.00 0.00 54.97 54.27 2k5g s GLU 119 Cb -0.15 -2.30 -0.02 0.00 0.10 0.00 0.00 34.13 31.75 2k5g s GLU 119 CO 0.05 -0.40 -0.04 -0.51 0.02 0.00 0.00 175.26 174.39 2k5g s LEU 120 N 1.45 3.10 0.12 1.80 1.43 0.57 -2.49 118.68 124.65 2k5g s LEU 120 Ca 0.00 -0.23 0.08 0.00 -1.03 0.00 0.00 54.13 52.95 2k5g s LEU 120 Cb -0.15 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 2k5g s LEU 120 CO -0.09 0.10 -0.13 -0.44 0.23 0.00 0.00 176.35 176.02 2k5g s SER 121 N 0.78 4.17 -0.17 2.29 0.01 0.12 -4.67 113.70 116.23 2k5g s SER 121 Ca -0.01 -0.48 -0.04 0.00 1.31 0.00 0.00 55.95 56.72 2k5g s SER 121 Cb -0.15 -0.70 -0.03 0.00 0.21 0.00 0.00 66.02 65.36 2k5g s SER 121 CO 0.02 0.17 -0.03 -1.83 0.41 0.00 0.00 173.24 171.98 2k5g s GLU 122 N -2.25 3.66 0.00 12.44 -1.05 -1.26 -1.08 118.70 129.16 2k5g s GLU 122 Ca 0.20 -0.52 0.00 0.00 -0.15 0.00 0.00 54.97 54.51 2k5g s GLU 122 Cb -0.11 -2.97 0.00 0.00 -0.44 0.00 0.00 34.13 30.62 2k5g s GLU 122 CO 0.12 0.18 0.00 0.00 0.95 0.00 0.00 175.26 176.51 2k5g n ALA 123 N 3.73 0.00 -2.01 -0.84 0.00 0.12 -4.98 120.51 116.53 2k5g n ALA 123 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.98 2k5g n ALA 123 Cb 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.91 2k5g n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5g n GLY 124 N 5.00 1.06 2.56 0.00 0.00 -1.26 -3.42 105.19 109.13 2k5g n GLY 124 Ca 0.00 -0.69 -0.18 0.00 0.00 0.00 0.00 46.02 45.15 2k5g n GLY 124 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k5g n GLU 125 N 8.20 -2.42 -4.32 1.61 2.13 -1.26 -4.98 120.64 119.61 2k5g n GLU 125 Ca 0.45 0.78 -0.19 0.00 0.66 0.00 0.00 57.16 58.86 2k5g n GLU 125 Cb 0.46 -5.44 -0.11 0.00 0.27 0.00 0.00 31.44 26.62 2k5g n GLU 125 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2k5g s GLN 126 N -5.19 1.26 -0.10 5.31 -0.21 -0.84 -1.52 119.66 118.38 2k5g s GLN 126 Ca 0.06 -1.47 0.01 0.00 0.02 0.00 0.00 55.36 53.98 2k5g s GLN 126 Cb -0.03 -1.15 0.02 0.00 1.00 0.00 0.00 33.01 32.84 2k5g s GLN 126 CO 0.08 0.21 -0.10 0.08 -2.12 0.00 0.00 175.29 173.44 2k5g s VAL 127 N -2.53 1.15 -0.24 1.09 1.01 0.58 0.15 120.40 121.61 2k5g s VAL 127 Ca 0.18 -0.42 -0.16 0.00 0.00 0.00 0.00 61.98 61.58 2k5g s VAL 127 Cb -0.03 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 2k5g s VAL 127 CO 0.06 0.38 0.42 -0.13 0.00 0.00 0.00 175.10 175.83 2k5g s ARG 128 N 1.25 4.10 -0.09 2.72 0.52 -0.24 -0.10 118.95 127.11 2k5g s ARG 128 Ca -0.03 0.19 0.03 0.00 -0.52 0.00 0.00 55.73 55.39 2k5g s ARG 128 Cb -0.14 -3.60 0.01 0.00 0.52 0.00 0.00 34.95 31.74 2k5g s ARG 128 CO -0.04 -0.19 -0.18 -1.17 0.02 0.00 0.00 175.30 173.75 2k5g s LEU 129 N 1.78 1.84 -0.14 2.53 2.96 -0.39 -0.70 118.68 126.56 2k5g s LEU 129 Ca 0.18 -0.43 0.00 0.00 -0.22 0.00 0.00 54.13 53.67 2k5g s LEU 129 Cb -0.15 -1.11 0.02 0.00 0.50 0.00 0.00 46.19 45.45 2k5g s LEU 129 CO 0.09 0.08 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.39 2k5g s VAL 130 N 0.60 1.39 -0.39 1.68 1.01 -1.04 -0.08 120.40 123.57 2k5g s VAL 130 Ca -0.15 -0.55 -0.23 0.00 0.00 0.00 0.00 61.98 61.06 2k5g s VAL 130 Cb -0.16 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 34.88 2k5g s VAL 130 CO 0.05 0.40 0.75 -0.22 0.00 0.00 0.00 175.10 176.08 2k5g s LEU 131 N 1.56 4.21 -0.44 3.92 0.20 -0.04 -2.98 118.68 125.11 2k5g s LEU 131 Ca 0.04 0.14 -0.07 0.00 0.69 0.00 0.00 54.13 54.94 2k5g s LEU 131 Cb -0.13 -2.95 0.11 0.00 -0.43 0.00 0.00 46.19 42.79 2k5g s LEU 131 CO -0.10 -0.77 0.27 -0.89 -0.29 0.00 0.00 176.35 174.58 2k5g s THR 132 N 3.07 3.87 -0.41 3.68 2.01 0.37 -2.06 115.64 126.17 2k5g s THR 132 Ca 0.29 -1.81 -0.15 0.00 0.31 0.00 0.00 61.69 60.33 2k5g s THR 132 Cb -0.13 -3.54 0.02 0.00 0.01 0.00 0.00 72.50 68.86 2k5g s THR 132 CO 0.18 -0.69 0.32 -2.28 -0.69 0.00 0.00 174.62 171.47 2k5g s HIS 133 N 1.29 3.23 0.51 4.92 5.04 0.18 0.37 115.29 130.83 2k5g s HIS 133 Ca 0.06 -0.57 0.05 0.00 -1.54 0.00 0.00 55.06 53.05 2k5g s HIS 133 Cb -0.24 -2.65 0.05 0.00 0.04 0.00 0.00 32.58 29.78 2k5g s HIS 133 CO -0.01 -0.61 0.38 0.25 -2.34 0.00 0.00 174.74 172.41 2k5g n THR 134 N 5.20 0.00 -2.23 0.89 -2.24 0.12 -2.28 114.28 113.73 2k5g n THR 134 Ca -0.11 -2.01 -0.17 0.00 -2.27 0.00 0.00 64.05 59.50 2k5g n THR 134 Cb 0.47 -0.07 -0.01 0.00 -2.10 0.00 0.00 70.33 68.62 2k5g n THR 134 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2k5g n ARG 135 N -1.69 -1.32 -2.45 -0.78 1.74 -1.26 -0.92 116.66 109.98 2k5g n ARG 135 Ca -0.02 0.84 -0.42 0.00 -0.77 0.00 0.00 57.85 57.48 2k5g n ARG 135 Cb 0.58 -5.25 -0.03 0.00 -1.02 0.00 0.00 32.46 26.74 2k5g n ARG 135 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2k5g s LEU 136 N -4.71 4.31 0.03 0.55 1.43 -1.26 -3.88 118.68 115.15 2k5g s LEU 136 Ca 0.00 1.88 -0.20 0.00 -1.03 0.00 0.00 54.13 54.77 2k5g s LEU 136 Cb 0.00 -3.56 -0.16 0.00 0.03 0.00 0.00 46.19 42.50 2k5g s LEU 136 CO 0.00 -0.55 1.29 0.00 0.23 0.00 0.00 176.35 177.33 2k5g h ALA 137 N 7.27 0.19 -1.61 4.21 0.00 -1.92 -3.49 119.26 123.91 2k5g h ALA 137 Ca -0.37 -0.36 0.11 0.00 0.00 0.00 0.00 54.91 54.29 2k5g h ALA 137 Cb 1.18 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2k5g h ALA 137 CO 0.86 0.13 0.29 -0.40 0.00 0.00 0.00 179.25 180.13 2k5g n ASP 138 N -4.51 -0.47 0.31 0.00 5.68 -1.26 -5.02 116.55 111.28 2k5g n ASP 138 Ca -0.07 -1.14 0.19 0.00 -0.50 0.00 0.00 54.79 53.27 2k5g n ASP 138 Cb 0.41 0.74 0.99 0.00 -1.14 0.00 0.00 41.12 42.12 2k5g n ASP 138 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2k5g h ARG 139 N 0.00 0.00 -0.05 0.11 3.08 -1.95 0.02 114.38 115.59 2k5g h ARG 139 Ca -0.08 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 2k5g h ARG 139 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 2k5g h ARG 139 CO 0.11 0.02 -0.36 0.00 -1.07 0.00 0.00 179.97 178.67 2k5g h ALA 140 N 1.98 1.30 0.07 0.04 0.00 -1.97 0.50 119.26 121.18 2k5g h ALA 140 Ca -0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2k5g h ALA 140 Cb 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2k5g h ALA 140 CO 0.00 0.50 -0.03 0.00 0.00 0.00 0.00 179.25 179.72 2k5g h ALA 141 N 1.54 -0.10 -0.93 0.00 0.00 -1.39 0.13 119.26 118.51 2k5g h ALA 141 Ca 0.01 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 54.90 2k5g h ALA 141 Cb 0.69 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.44 2k5g h ALA 141 CO 0.05 -0.37 0.59 0.52 0.00 0.00 0.00 179.25 180.04 2k5g h MET 142 N -0.46 0.65 0.00 0.00 2.07 -1.37 0.15 114.93 115.98 2k5g h MET 142 Ca -0.01 -0.04 -0.08 0.00 -2.07 0.00 0.00 59.70 57.51 2k5g h MET 142 Cb 0.40 -0.15 -0.01 0.00 -1.87 0.00 0.00 31.60 29.97 2k5g h MET 142 CO 0.02 0.43 -0.36 -0.07 1.07 0.00 0.00 176.91 178.00 2k5g h LEU 143 N 0.67 0.00 0.05 1.22 3.38 0.44 0.21 115.31 121.29 2k5g h LEU 143 Ca 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.45 2k5g h LEU 143 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2k5g h LEU 143 CO -0.24 0.36 -0.02 -0.78 0.09 0.00 0.00 178.44 177.85 2k5g h ASP 144 N 0.00 -0.05 0.99 -0.43 1.82 0.20 -3.08 116.42 115.87 2k5g h ASP 144 Ca -0.00 -0.43 0.00 0.00 -0.39 0.00 0.00 57.03 56.20 2k5g h ASP 144 Cb 0.72 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.74 2k5g h ASP 144 CO 0.05 0.42 0.00 -0.37 -1.61 0.00 0.00 179.24 177.72 2k5g h VAL 145 N -0.54 0.00 -0.82 2.25 -1.51 -1.13 -2.45 116.25 112.06 2k5g h VAL 145 Ca -0.01 -0.46 0.09 0.00 -1.23 0.00 0.00 66.70 65.10 2k5g h VAL 145 Cb 0.48 1.39 -0.06 0.00 -2.13 0.00 0.00 31.29 30.97 2k5g h VAL 145 CO 0.01 0.00 0.53 0.00 -1.23 0.00 0.00 177.57 176.88 2k5g h ALA 146 N 2.08 1.69 -0.11 5.19 0.00 -0.48 0.78 119.26 128.41 2k5g h ALA 146 Ca 0.00 -0.01 -0.43 0.00 0.00 0.00 0.00 54.91 54.47 2k5g h ALA 146 Cb 0.50 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 2k5g h ALA 146 CO 0.00 0.16 1.38 0.41 0.00 0.00 0.00 179.25 181.20 2k5g n GLY 147 N -1.43 3.76 0.00 0.00 0.00 -0.92 -4.41 105.19 102.18 2k5g n GLY 147 Ca 0.13 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.70 2k5g n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5g n GLY 148 N 2.63 2.65 0.13 -0.02 0.00 -1.20 -4.93 105.19 104.46 2k5g n GLY 148 Ca 0.58 -0.45 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 2k5g n GLY 148 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2k5g h TRP 149 N 0.00 -0.32 -0.85 1.61 2.91 -1.05 -2.40 115.95 115.86 2k5g h TRP 149 Ca 0.00 -0.01 0.14 0.00 1.13 0.00 0.00 58.89 60.15 2k5g h TRP 149 Cb 0.00 0.10 -0.06 0.00 -0.51 0.00 0.00 29.16 28.69 2k5g h TRP 149 CO 0.00 -0.20 0.55 1.12 -1.03 0.00 0.00 178.44 178.89 2k5g h HIS 150 N -0.35 0.74 -0.99 2.65 2.07 -1.84 -0.34 115.15 117.09 2k5g h HIS 150 Ca -0.03 0.02 0.11 0.00 -2.85 0.00 0.00 60.37 57.62 2k5g h HIS 150 Cb 0.26 -0.23 -0.08 0.00 2.57 0.00 0.00 27.41 29.93 2k5g h HIS 150 CO 0.17 0.28 0.63 0.00 -3.07 0.00 0.00 177.93 175.93 2k5g h ALA 151 N 1.61 1.54 0.00 6.11 0.00 -1.82 -0.19 119.26 126.51 2k5g h ALA 151 Ca 0.42 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2k5g h ALA 151 Cb 0.73 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2k5g h ALA 151 CO -0.18 0.23 0.00 1.12 0.00 0.00 0.00 179.25 180.42 2k5g h HIS 152 N 0.99 0.00 -0.05 0.00 2.07 -0.53 0.04 115.15 117.67 2k5g h HIS 152 Ca 0.48 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.92 2k5g h HIS 152 Cb 0.45 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.42 2k5g h HIS 152 CO -0.00 0.00 -0.31 -0.07 -3.07 0.00 0.00 177.93 174.48 2k5g h LEU 153 N 0.00 0.09 -0.33 6.12 3.38 -1.08 0.23 115.31 123.72 2k5g h LEU 153 Ca 0.00 -0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.75 2k5g h LEU 153 Cb 0.37 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2k5g h LEU 153 CO 0.00 0.40 -0.82 0.00 0.09 0.00 0.00 178.44 178.11 2k5g h ALA 154 N 1.61 0.54 -0.49 1.53 0.00 -1.04 -2.73 119.26 118.67 2k5g h ALA 154 Ca 0.01 -0.67 -0.13 0.00 0.00 0.00 0.00 54.91 54.12 2k5g h ALA 154 Cb 0.59 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2k5g h ALA 154 CO 0.04 0.82 -0.20 0.28 0.00 0.00 0.00 179.25 180.20 2k5g h VAL 155 N 0.20 1.27 0.29 0.00 2.07 -1.14 -1.09 116.25 117.85 2k5g h VAL 155 Ca -0.05 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.12 2k5g h VAL 155 Cb 1.42 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 32.26 2k5g h VAL 155 CO 0.13 0.47 -0.34 -0.07 0.02 0.00 0.00 177.57 177.79 2k5g h LEU 156 N 0.87 -0.93 -0.59 2.57 3.38 -0.48 0.28 115.31 120.40 2k5g h LEU 156 Ca 0.12 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.18 2k5g h LEU 156 Cb 0.77 0.32 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 2k5g h LEU 156 CO 0.06 -0.47 0.39 0.00 0.09 0.00 0.00 178.44 178.52 2k5g h ALA 157 N -0.16 0.75 -0.34 1.53 0.00 -1.48 0.78 119.26 120.34 2k5g h ALA 157 Ca -0.01 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2k5g h ALA 157 Cb 0.63 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2k5g h ALA 157 CO -0.09 0.19 0.15 0.78 0.00 0.00 0.00 179.25 180.27 2k5g h GLY 158 N 0.80 0.44 0.88 0.00 0.00 -0.92 0.55 103.07 104.82 2k5g h GLY 158 Ca 0.22 -0.10 -0.09 0.00 0.00 0.00 0.00 47.33 47.36 2k5g h GLY 158 CO -0.05 0.07 -0.19 1.70 0.00 0.00 0.00 176.54 178.07 2k5g h LYS 159 N 0.31 0.57 0.00 4.80 1.63 -0.09 -1.26 116.57 122.53 2k5g h LYS 159 Ca 0.15 -0.28 -0.03 0.00 -0.85 0.00 0.00 60.65 59.64 2k5g h LYS 159 Cb 0.08 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.71 2k5g h LYS 159 CO -0.12 0.86 -0.14 -0.07 -3.45 0.00 0.00 179.45 176.53 2k5g h LEU 160 N 0.29 0.00 -0.05 5.20 3.38 -0.72 0.56 115.31 123.97 2k5g h LEU 160 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2k5g h LEU 160 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2k5g h LEU 160 CO 0.05 0.14 -0.03 0.00 0.09 0.00 0.00 178.44 178.69 2k5g n ALA 161 N -2.36 2.56 -0.57 1.53 0.00 0.17 -4.74 120.51 117.10 2k5g n ALA 161 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2k5g n ALA 161 Cb 0.23 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.22 2k5g n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5g n GLY 162 N 1.28 0.94 0.00 0.00 0.00 0.19 -5.03 105.19 102.57 2k5g n GLY 162 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2k5g n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5g n GLN 163 N -2.00 1.04 -2.74 1.61 10.64 -0.50 -4.99 117.38 120.44 2k5g n GLN 163 Ca 0.00 0.00 -0.25 0.00 -1.83 0.00 0.00 57.00 54.92 2k5g n GLN 163 Cb 0.00 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 29.39 2k5g n GLN 163 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2k5g s ALA 164 N -2.33 3.51 0.63 2.61 0.00 -1.25 -4.16 121.76 120.78 2k5g s ALA 164 Ca 0.00 -0.78 -0.15 0.00 0.00 0.00 0.00 51.96 51.03 2k5g s ALA 164 Cb 0.00 -2.41 -0.01 0.00 0.00 0.00 0.00 23.12 20.70 2k5g s ALA 164 CO 0.00 -0.47 1.09 -2.14 0.00 0.00 0.00 175.76 174.24 2k5g s PRO 165 N -4.72 2.99 0.93 0.00 0.02 -1.26 -4.62 135.00 128.33 2k5g s PRO 165 Ca 0.49 1.33 -0.14 0.00 0.02 0.00 0.00 61.00 62.71 2k5g s PRO 165 Cb -0.10 -1.98 0.15 0.00 0.02 0.00 0.00 34.50 32.59 2k5g s PRO 165 CO 0.42 -1.09 1.18 -1.25 -0.33 0.00 0.00 177.00 175.93 2k5g s PRO 166 N -4.07 0.96 -0.63 5.54 0.04 -1.26 -4.58 135.00 131.00 2k5g s PRO 166 Ca 0.66 0.07 -0.26 0.00 0.04 0.00 0.00 61.00 61.51 2k5g s PRO 166 Cb -0.19 -1.84 -0.10 0.00 0.04 0.00 0.00 34.50 32.41 2k5g s PRO 166 CO 0.40 -2.27 2.38 -2.14 0.04 0.00 0.00 177.00 175.40 2k5g s PRO 167 N -5.48 1.91 0.19 0.56 0.02 -1.26 -4.80 135.00 126.14 2k5g s PRO 167 Ca 0.66 0.94 -0.07 0.00 0.02 0.00 0.00 61.00 62.56 2k5g s PRO 167 Cb -0.11 -4.68 0.11 0.00 0.02 0.00 0.00 34.50 29.84 2k5g s PRO 167 CO 0.53 -3.77 1.61 0.35 -0.33 0.00 0.00 177.00 175.38 2k5g h PHE 168 N 16.32 1.01 -0.09 6.54 3.04 -1.96 -1.40 116.94 140.39 2k5g h PHE 168 Ca -0.13 -0.23 -0.00 0.00 3.98 0.00 0.00 57.97 61.59 2k5g h PHE 168 Cb 1.14 -0.24 -0.00 0.00 2.56 0.00 0.00 35.95 39.41 2k5g h PHE 168 CO 1.06 1.00 0.05 2.35 -2.02 0.00 0.00 178.31 180.74 2k5g h TRP 169 N 0.78 0.13 0.29 0.41 7.01 -1.96 0.56 115.95 123.17 2k5g h TRP 169 Ca 0.11 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.09 2k5g h TRP 169 Cb 0.73 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 27.75 2k5g h TRP 169 CO 0.04 0.18 -0.14 1.15 -2.79 0.00 0.00 178.44 176.89 2k5g h THR 170 N 0.04 0.72 -0.35 2.65 2.02 -1.94 -1.04 112.91 115.02 2k5g h THR 170 Ca 0.03 -0.03 0.06 0.00 0.77 0.00 0.00 66.41 67.24 2k5g h THR 170 Cb 0.10 0.74 -0.06 0.00 -1.74 0.00 0.00 68.15 67.19 2k5g h THR 170 CO -0.00 0.01 -0.03 0.74 0.37 0.00 0.00 175.52 176.61 2k5g h THR 171 N -0.40 0.71 0.59 3.16 2.02 -1.15 -0.64 112.91 117.21 2k5g h THR 171 Ca -0.04 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 2k5g h THR 171 Cb 0.31 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 2k5g h THR 171 CO 0.06 0.01 -0.33 0.25 0.37 0.00 0.00 175.52 175.89 2k5g h LEU 172 N 0.07 -0.81 -0.37 2.58 6.46 -0.74 -1.54 115.31 120.96 2k5g h LEU 172 Ca 0.17 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.95 2k5g h LEU 172 Cb 0.24 0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.38 2k5g h LEU 172 CO -0.31 -0.52 0.16 0.00 -0.62 0.00 0.00 178.44 177.15 2k5g h ALA 173 N -1.49 0.48 -0.45 1.25 0.00 -1.12 0.13 119.26 118.05 2k5g h ALA 173 Ca -0.08 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 2k5g h ALA 173 Cb 0.67 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2k5g h ALA 173 CO 0.11 0.06 -0.06 0.37 0.00 0.00 0.00 179.25 179.73 2k5g h GLN 174 N 0.45 0.84 -0.00 0.00 5.75 -1.18 -0.63 115.11 120.34 2k5g h GLN 174 Ca 0.12 -0.30 -0.13 0.00 -0.15 0.00 0.00 58.65 58.19 2k5g h GLN 174 Cb 0.16 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.64 2k5g h GLN 174 CO -0.01 0.93 -0.64 0.00 -2.65 0.00 0.00 178.83 176.46 2k5g h ALA 175 N 0.89 0.94 -0.62 3.38 0.00 -1.13 0.21 119.26 122.93 2k5g h ALA 175 Ca 0.12 -0.58 0.02 0.00 0.00 0.00 0.00 54.91 54.47 2k5g h ALA 175 Cb 0.59 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2k5g h ALA 175 CO 0.04 0.79 0.40 0.93 0.00 0.00 0.00 179.25 181.41 2k5g h GLU 176 N 0.01 0.78 -0.02 0.00 5.08 -0.39 -0.62 114.58 119.42 2k5g h GLU 176 Ca -0.01 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 2k5g h GLU 176 Cb 1.13 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2k5g h GLU 176 CO 0.08 0.52 -0.45 1.96 -1.00 0.00 0.00 179.01 180.12 2k5g h GLN 177 N 0.80 0.05 -0.39 2.33 1.08 -0.78 -0.82 115.11 117.38 2k5g h GLN 177 Ca 0.24 -0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.36 2k5g h GLN 177 Cb -0.04 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 2k5g h GLN 177 CO -0.07 0.50 0.03 0.22 -0.95 0.00 0.00 178.83 178.55 2k5g h ASP 178 N 0.04 0.66 -0.25 1.46 3.58 -0.05 -0.31 116.42 121.55 2k5g h ASP 178 Ca -0.00 -0.29 -0.16 0.00 0.42 0.00 0.00 57.03 57.00 2k5g h ASP 178 Cb 0.82 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.70 2k5g h ASP 178 CO 0.06 0.78 -0.49 1.88 -2.88 0.00 0.00 179.24 178.60 2k5g h TYR 179 N 0.51 0.97 0.00 0.28 0.05 -1.08 -3.00 116.97 114.70 2k5g h TYR 179 Ca 0.11 -0.35 0.00 0.00 0.05 0.00 0.00 58.73 58.54 2k5g h TYR 179 Cb 0.43 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 37.99 2k5g h TYR 179 CO 0.03 1.15 0.00 0.93 -1.05 0.00 0.00 178.16 179.22 2k5g h GLU 180 N 0.51 0.00 -0.56 4.88 4.39 -1.04 -2.29 114.58 120.46 2k5g h GLU 180 Ca 0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 2k5g h GLU 180 Cb 1.09 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.72 2k5g h GLU 180 CO 0.11 0.00 0.30 0.37 -1.16 0.00 0.00 179.01 178.63 2k5g h GLN 181 N 0.00 0.77 0.00 2.33 4.15 -0.90 -2.45 115.11 119.01 2k5g h GLN 181 Ca 0.00 -0.08 -0.07 0.00 0.77 0.00 0.00 58.65 59.27 2k5g h GLN 181 Cb 0.23 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 2k5g h GLN 181 CO 0.00 0.57 -0.35 0.00 -1.93 0.00 0.00 178.83 177.12 2k5g h ARG 182 N 0.78 0.00 -2.38 1.69 2.47 -1.56 -3.50 114.38 111.88 2k5g h ARG 182 Ca 0.20 0.00 0.27 0.00 -1.26 0.00 0.00 59.98 59.19 2k5g h ARG 182 Cb 0.03 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 28.25 2k5g h ARG 182 CO -0.03 0.35 -0.58 1.28 0.56 0.00 0.00 179.97 181.56 2k5g n LEU 183 N -3.35 -0.60 -3.65 3.04 4.77 -0.93 -5.06 117.00 111.23 2k5g n LEU 183 Ca 0.01 1.35 -0.03 0.00 -0.03 0.00 0.00 56.01 57.31 2k5g n LEU 183 Cb 0.56 -3.29 -0.07 0.00 -2.33 0.00 0.00 43.42 38.30 2k5g n LEU 183 CO 0.37 -2.33 1.15 -0.22 -1.33 0.00 0.00 177.39 175.03 2k5g s LEU 184 N -6.36 -0.06 -0.03 2.23 2.96 -1.26 -5.00 118.68 111.16 2k5g s LEU 184 Ca 0.00 0.12 0.01 0.00 -0.22 0.00 0.00 54.13 54.04 2k5g s LEU 184 Cb 0.00 1.12 0.02 0.00 0.50 0.00 0.00 46.19 47.83 2k5g s LEU 184 CO 0.00 -0.02 -0.03 -1.83 -1.32 0.00 0.00 176.35 173.15 2k5g s GLU 185 N -0.03 0.54 0.00 1.98 -1.05 -1.26 -5.00 118.70 113.88 2k5g s GLU 185 Ca 0.07 -0.06 0.00 0.00 -0.15 0.00 0.00 54.97 54.83 2k5g s GLU 185 Cb -0.05 -0.60 0.00 0.00 -0.44 0.00 0.00 34.13 33.04 2k5g s GLU 185 CO -0.15 -0.05 0.00 1.58 0.95 0.00 0.00 175.26 177.59 2k5g n HIS 186 N 3.79 0.00 -3.35 4.83 -0.00 -1.26 -5.07 115.22 114.16 2k5g n HIS 186 Ca -0.23 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 57.79 2k5g n HIS 186 Cb 0.52 0.00 0.04 0.00 -0.12 0.00 0.00 29.99 30.43 2k5g n HIS 186 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2k5g n HIS 187 N -1.23 -2.44 -2.38 1.57 8.25 -1.26 -4.87 115.22 112.85 2k5g n HIS 187 Ca 0.00 0.83 -0.39 0.00 -0.26 0.00 0.00 57.72 57.90 2k5g n HIS 187 Cb 0.00 -3.84 -0.03 0.00 1.12 0.00 0.00 29.99 27.24 2k5g n HIS 187 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2k5g s HIS 188 N -3.26 2.13 -0.47 4.41 -3.43 -1.26 -4.79 115.29 108.62 2k5g s HIS 188 Ca 0.29 0.09 0.06 0.00 -0.80 0.00 0.00 55.06 54.70 2k5g s HIS 188 Cb -0.07 -4.46 0.19 0.00 -1.43 0.00 0.00 32.58 26.81 2k5g s HIS 188 CO 0.79 -2.09 0.73 -1.58 -2.00 0.00 0.00 174.74 170.59 2k5g s HIS 189 N 6.82 -1.53 -0.52 0.38 5.04 -1.26 -5.02 115.29 119.20 2k5g s HIS 189 Ca 0.48 -0.25 -0.19 0.00 -1.54 0.00 0.00 55.06 53.55 2k5g s HIS 189 Cb -0.08 0.29 0.06 0.00 0.04 0.00 0.00 32.58 32.90 2k5g s HIS 189 CO 0.11 -1.14 0.65 -1.58 -2.34 0.00 0.00 174.74 170.43 2k5g s HIS 190 N 1.23 3.03 -2.00 3.88 2.46 -1.26 -5.13 115.29 117.50 2k5g s HIS 190 Ca 0.25 -0.58 0.14 0.00 0.47 0.00 0.00 55.06 55.34 2k5g s HIS 190 Cb -0.00 -3.62 0.82 0.00 -0.13 0.00 0.00 32.58 29.65 2k5g s HIS 190 CO -0.06 -1.08 1.24 1.58 -2.47 0.00 0.00 174.74 173.95