#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 3.59 -0.14 2.03 -4.23 -1.26 -4.96 115.64 110.68 2k5g s THR 2 Ca 0.00 0.28 -0.01 0.00 -1.18 0.00 0.00 61.69 60.79 2k5g s THR 2 Cb 0.00 -4.57 0.03 0.00 1.34 0.00 0.00 72.50 69.31 2k5g s THR 2 CO 0.00 -1.52 -0.06 -0.55 -0.54 0.00 0.00 174.62 171.95 2k5g s SER 3 N 5.38 2.50 0.00 3.99 0.15 -1.26 -5.11 113.70 119.35 2k5g s SER 3 Ca 0.47 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.64 2k5g s SER 3 Cb -0.09 -0.86 0.00 0.00 -1.71 0.00 0.00 66.02 63.36 2k5g s SER 3 CO 0.16 -0.16 0.00 -0.81 1.20 0.00 0.00 173.24 173.63 2k5g n PRO 4 N 4.92 1.39 -2.73 5.44 -0.04 -1.26 -4.98 135.00 137.74 2k5g n PRO 4 Ca -0.12 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.33 2k5g n PRO 4 Cb 0.49 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.04 2k5g n PRO 4 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2k5g n SER 5 N 0.00 -0.05 -4.90 3.54 2.88 -1.18 -4.19 113.62 109.71 2k5g n SER 5 Ca 0.00 -2.13 -0.29 0.00 -1.33 0.00 0.00 58.87 55.13 2k5g n SER 5 Cb 0.00 0.14 0.04 0.00 -0.75 0.00 0.00 64.21 63.64 2k5g n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2k5g s SER 6 N -2.37 5.49 -0.33 -3.46 0.01 0.18 -4.76 113.70 108.47 2k5g s SER 6 Ca 0.17 0.95 -0.09 0.00 1.31 0.00 0.00 55.95 58.30 2k5g s SER 6 Cb 0.39 -1.83 0.01 0.00 0.21 0.00 0.00 66.02 64.81 2k5g s SER 6 CO -0.09 -1.24 0.14 0.00 0.41 0.00 0.00 173.24 172.46 2k5g s ALA 7 N -3.21 3.18 -0.22 1.44 0.00 -1.26 -3.92 121.76 117.77 2k5g s ALA 7 Ca 0.56 -1.55 -0.01 0.00 0.00 0.00 0.00 51.96 50.97 2k5g s ALA 7 Cb -0.11 -2.36 0.06 0.00 0.00 0.00 0.00 23.12 20.72 2k5g s ALA 7 CO 0.49 -1.11 -0.01 -0.06 0.00 0.00 0.00 175.76 175.07 2k5g s PHE 8 N 1.53 1.89 0.63 0.00 0.40 -1.26 -5.11 117.98 116.06 2k5g s PHE 8 Ca 0.02 -1.45 -0.10 0.00 -0.60 0.00 0.00 56.93 54.81 2k5g s PHE 8 Cb -0.18 -1.40 -0.02 0.00 0.51 0.00 0.00 43.02 41.93 2k5g s PHE 8 CO 0.05 -0.72 1.02 -1.25 0.70 0.00 0.00 175.22 175.01 2k5g s PRO 9 N 1.56 3.34 0.00 0.24 0.04 -1.26 -4.63 135.00 134.29 2k5g s PRO 9 Ca -0.03 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.57 2k5g s PRO 9 Cb -0.18 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.25 2k5g s PRO 9 CO -0.07 -0.67 0.00 -3.47 0.04 0.00 0.00 177.00 172.82 2k5g n ASP 10 N -2.76 0.00 -1.04 6.66 2.03 -1.26 -5.04 116.55 115.13 2k5g n ASP 10 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 2k5g n ASP 10 Cb 0.55 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 2k5g n ASP 10 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k5g n GLY 11 N 0.00 0.78 0.82 0.27 0.00 -1.26 -5.00 105.19 100.80 2k5g n GLY 11 Ca 0.00 -0.40 0.09 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.04 0.86 -2.58 1.61 -0.00 -1.26 -5.00 115.22 107.80 2k5g n HIS 12 Ca 0.00 -0.88 -0.42 0.00 -0.00 0.00 0.00 57.72 56.42 2k5g n HIS 12 Cb 0.39 -0.29 -0.03 0.00 -0.00 0.00 0.00 29.99 30.06 2k5g n HIS 12 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 2k5g s GLY 13 N -1.98 2.16 -0.47 1.57 0.00 -1.26 -4.94 107.32 102.40 2k5g s GLY 13 Ca 0.41 0.46 0.04 0.00 0.00 0.00 0.00 44.72 45.62 2k5g s GLY 13 CO 0.09 2.09 0.89 0.00 0.00 0.00 0.00 173.10 176.16 2k5g n ALA 14 N 5.29 -2.19 -2.81 3.20 0.00 -1.26 -5.01 120.51 117.73 2k5g n ALA 14 Ca 0.10 -0.91 -0.00 0.00 0.00 0.00 0.00 53.44 52.63 2k5g n ALA 14 Cb 0.47 -1.88 -0.00 0.00 0.00 0.00 0.00 19.45 18.04 2k5g n ALA 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k5g n ARG 15 N 2.33 -2.95 -3.25 0.00 1.74 -1.26 -5.04 116.66 108.23 2k5g n ARG 15 Ca 0.12 2.45 -0.24 0.00 -0.77 0.00 0.00 57.85 59.41 2k5g n ARG 15 Cb 0.61 -4.50 -0.01 0.00 -1.02 0.00 0.00 32.46 27.55 2k5g n ARG 15 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 2k5g s LEU 16 N -1.44 3.91 -0.05 0.55 -0.00 -1.26 -5.11 118.68 115.27 2k5g s LEU 16 Ca -0.02 0.43 -0.02 0.00 -0.00 0.00 0.00 54.13 54.52 2k5g s LEU 16 Cb 0.00 -3.30 0.04 0.00 -0.00 0.00 0.00 46.19 42.93 2k5g s LEU 16 CO 0.63 -0.41 0.11 -0.62 -0.00 0.00 0.00 176.35 176.06 2k5g s ASP 17 N -4.08 0.21 0.11 1.48 2.15 -1.26 -5.07 116.67 110.20 2k5g s ASP 17 Ca 0.42 0.22 -0.26 0.00 0.43 0.00 0.00 52.55 53.36 2k5g s ASP 17 Cb -0.10 0.10 0.08 0.00 -0.30 0.00 0.00 42.92 42.71 2k5g s ASP 17 CO 0.37 -0.17 1.09 0.00 -0.17 0.00 0.00 175.17 176.28 2k5g s ALA 18 N 1.44 -1.84 -0.08 3.66 0.00 -1.26 -5.04 121.76 118.64 2k5g s ALA 18 Ca -0.06 0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.06 2k5g s ALA 18 Cb -0.12 0.61 -0.25 0.00 0.00 0.00 0.00 23.12 23.36 2k5g s ALA 18 CO -0.05 -1.06 0.52 1.96 0.00 0.00 0.00 175.76 177.13 2k5g h GLN 19 N 2.00 0.16 0.00 0.00 4.20 -1.98 -3.47 115.11 116.02 2k5g h GLN 19 Ca -0.27 -0.28 -0.49 0.00 0.06 0.00 0.00 58.65 57.68 2k5g h GLN 19 Cb 1.22 0.10 -0.03 0.00 0.30 0.00 0.00 27.48 29.07 2k5g h GLN 19 CO 0.29 0.92 -0.21 -1.13 -0.67 0.00 0.00 178.83 178.04 2k5g n SER 20 N -3.31 2.41 -4.62 1.46 3.41 -1.26 -4.22 113.62 107.49 2k5g n SER 20 Ca -0.25 -2.60 -0.36 0.00 -0.26 0.00 0.00 58.87 55.40 2k5g n SER 20 Cb 1.05 -0.10 -0.10 0.00 -0.26 0.00 0.00 64.21 64.80 2k5g n SER 20 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2k5g s ILE 21 N -2.36 4.97 -0.09 -1.33 -1.09 -0.94 -4.99 121.20 115.38 2k5g s ILE 21 Ca 0.32 0.04 -0.05 0.00 -2.23 0.00 0.00 60.65 58.73 2k5g s ILE 21 Cb -0.03 -3.28 0.04 0.00 -1.58 0.00 0.00 42.46 37.61 2k5g s ILE 21 CO 0.21 0.40 0.21 0.00 -1.23 0.00 0.00 174.94 174.52 2k5g s ARG 22 N 0.81 0.19 -0.06 2.79 3.03 -1.24 0.19 118.95 124.67 2k5g s ARG 22 Ca 0.05 0.41 -0.02 0.00 2.03 0.00 0.00 55.73 58.20 2k5g s ARG 22 Cb -0.13 -0.05 0.04 0.00 -1.03 0.00 0.00 34.95 33.78 2k5g s ARG 22 CO 0.02 -0.12 0.08 -0.06 -1.13 0.00 0.00 175.30 174.10 2k5g s PHE 23 N 0.83 0.01 -0.36 5.89 0.08 0.03 -4.93 117.98 119.53 2k5g s PHE 23 Ca -0.06 0.31 -0.14 0.00 0.12 0.00 0.00 56.93 57.16 2k5g s PHE 23 Cb -0.07 -0.44 -0.01 0.00 -0.57 0.00 0.00 43.02 41.93 2k5g s PHE 23 CO -0.05 -0.23 0.30 -1.83 -0.10 0.00 0.00 175.22 173.32 2k5g s GLU 24 N 2.20 3.39 -0.06 0.44 1.03 -1.26 0.23 118.70 124.66 2k5g s GLU 24 Ca 0.04 -0.66 0.04 0.00 0.03 0.00 0.00 54.97 54.42 2k5g s GLU 24 Cb -0.12 -3.85 0.00 0.00 -0.80 0.00 0.00 34.13 29.36 2k5g s GLU 24 CO -0.04 -0.56 -0.17 0.50 -1.33 0.00 0.00 175.26 173.66 2k5g s ARG 25 N 1.83 1.98 -0.06 -4.83 6.06 0.81 -4.99 118.95 119.76 2k5g s ARG 25 Ca 0.08 -0.60 -0.24 0.00 -2.50 0.00 0.00 55.73 52.47 2k5g s ARG 25 Cb -0.17 -1.64 -0.04 0.00 0.06 0.00 0.00 34.95 33.16 2k5g s ARG 25 CO 0.11 0.17 0.72 -1.17 -2.50 0.00 0.00 175.30 172.63 2k5g s LEU 26 N 0.26 4.32 0.11 -0.88 1.98 -1.26 -0.39 118.68 122.82 2k5g s LEU 26 Ca -0.09 1.22 0.08 0.00 -2.89 0.00 0.00 54.13 52.45 2k5g s LEU 26 Cb -0.14 -3.12 -0.03 0.00 0.66 0.00 0.00 46.19 43.56 2k5g s LEU 26 CO 0.04 -0.12 -0.19 -0.76 -1.89 0.00 0.00 176.35 173.42 2k5g s LEU 27 N 0.81 2.32 0.31 -0.68 1.43 0.71 -4.96 118.68 118.61 2k5g s LEU 27 Ca 0.39 -0.70 -0.24 0.00 -1.03 0.00 0.00 54.13 52.54 2k5g s LEU 27 Cb -0.18 -0.80 -0.10 0.00 0.03 0.00 0.00 46.19 45.15 2k5g s LEU 27 CO 0.19 0.01 0.89 -2.16 0.23 0.00 0.00 176.35 175.51 2k5g s PRO 28 N -2.03 4.47 0.00 1.29 0.04 -1.26 -0.04 135.00 137.47 2k5g s PRO 28 Ca 0.06 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.30 2k5g s PRO 28 Cb -0.09 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.68 2k5g s PRO 28 CO 0.04 0.28 0.00 0.41 0.04 0.00 0.00 177.00 177.77 2k5g n GLY 29 N 0.49 3.64 0.11 0.56 0.00 0.41 -4.43 105.19 105.97 2k5g n GLY 29 Ca 0.01 -1.71 -0.11 0.00 0.00 0.00 0.00 46.02 44.22 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 0.26 0.00 1.61 0.13 -1.72 -2.62 132.00 129.67 2k5g h PRO 30 Ca 0.00 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2k5g h PRO 30 Cb 0.00 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.08 2k5g h PRO 30 CO 0.00 0.32 0.00 1.51 -0.23 0.00 0.00 178.00 179.60 2k5g n ILE 31 N -4.86 0.00 0.07 -3.56 0.13 -1.26 -4.28 119.36 105.59 2k5g n ILE 31 Ca -0.04 0.00 -0.12 0.00 -1.10 0.00 0.00 62.75 61.49 2k5g n ILE 31 Cb 0.11 0.00 -0.03 0.00 -0.84 0.00 0.00 39.64 38.88 2k5g n ILE 31 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 2k5g h GLU 32 N 0.00 0.38 0.57 9.51 5.08 -1.89 -3.25 114.58 124.98 2k5g h GLU 32 Ca 0.00 -0.40 -0.03 0.00 -1.00 0.00 0.00 59.36 57.94 2k5g h GLU 32 Cb 0.00 0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.36 2k5g h GLU 32 CO 0.00 1.07 -0.27 -0.09 -1.00 0.00 0.00 179.01 178.71 2k5g h ARG 33 N 0.22 -0.73 -0.28 2.33 2.43 -1.90 -2.23 114.38 114.22 2k5g h ARG 33 Ca -0.07 0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 2k5g h ARG 33 Cb 1.53 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 31.23 2k5g h ARG 33 CO 0.15 -0.45 0.04 0.28 -1.51 0.00 0.00 179.97 178.48 2k5g h VAL 34 N -0.88 1.15 -0.81 0.20 2.07 -1.78 -2.15 116.25 114.05 2k5g h VAL 34 Ca -0.08 -0.57 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 2k5g h VAL 34 Cb 0.63 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 2k5g h VAL 34 CO 0.13 0.20 0.35 -0.25 0.02 0.00 0.00 177.57 178.02 2k5g h TRP 35 N 0.40 1.20 -0.64 1.57 2.91 -1.54 -2.93 115.95 116.93 2k5g h TRP 35 Ca 0.09 -0.08 0.13 0.00 1.13 0.00 0.00 58.89 60.17 2k5g h TRP 35 Cb 0.21 -0.37 -0.10 0.00 -0.51 0.00 0.00 29.16 28.39 2k5g h TRP 35 CO 0.01 0.89 0.09 0.00 -1.03 0.00 0.00 178.44 178.39 2k5g h ALA 36 N 1.21 0.73 0.00 2.65 0.00 -0.77 0.27 119.26 123.35 2k5g h ALA 36 Ca 0.27 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.30 2k5g h ALA 36 Cb 0.18 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2k5g h ALA 36 CO -0.03 -0.35 -0.24 -1.49 0.00 0.00 0.00 179.25 177.14 2k5g h TRP 37 N 0.20 0.00 0.05 0.00 6.55 -1.59 0.27 115.95 121.42 2k5g h TRP 37 Ca 0.35 0.00 -0.23 0.00 0.95 0.00 0.00 58.89 59.96 2k5g h TRP 37 Cb 0.56 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.84 2k5g h TRP 37 CO -0.30 0.24 -1.07 -0.07 -1.05 0.00 0.00 178.44 176.19 2k5g h LEU 38 N 0.00 0.18 0.01 -4.49 3.38 -0.50 -3.40 115.31 110.49 2k5g h LEU 38 Ca -0.00 -0.19 -0.42 0.00 0.09 0.00 0.00 57.88 57.36 2k5g h LEU 38 Cb 0.55 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 2k5g h LEU 38 CO 0.03 1.12 -2.42 0.00 0.09 0.00 0.00 178.44 177.26 2k5g n ALA 39 N -2.43 1.25 -2.01 1.53 0.00 0.14 -4.93 120.51 114.05 2k5g n ALA 39 Ca -0.03 -1.05 -0.43 0.00 0.00 0.00 0.00 53.44 51.93 2k5g n ALA 39 Cb 0.95 -0.03 -0.03 0.00 0.00 0.00 0.00 19.45 20.34 2k5g n ALA 39 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k5g s ASP 40 N -7.09 6.29 0.45 0.00 2.15 0.90 -4.51 116.67 114.86 2k5g s ASP 40 Ca -0.36 1.76 0.22 0.00 0.43 0.00 0.00 52.55 54.60 2k5g s ASP 40 Cb 0.12 -2.53 1.06 0.00 -0.30 0.00 0.00 42.92 41.27 2k5g s ASP 40 CO 0.55 -1.31 1.92 0.00 -0.17 0.00 0.00 175.17 176.16 2k5g h ALA 41 N 11.16 1.22 0.55 3.66 0.00 -1.88 -0.88 119.26 133.09 2k5g h ALA 41 Ca -0.36 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 2k5g h ALA 41 Cb 1.17 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.93 2k5g h ALA 41 CO 0.99 0.30 -0.26 0.22 0.00 0.00 0.00 179.25 180.50 2k5g h ASP 42 N 0.00 -0.62 0.22 0.00 3.58 -1.91 -0.90 116.42 116.78 2k5g h ASP 42 Ca -0.00 -0.01 -0.26 0.00 0.42 0.00 0.00 57.03 57.19 2k5g h ASP 42 Cb 0.57 0.16 0.01 0.00 1.72 0.00 0.00 39.33 41.80 2k5g h ASP 42 CO 0.03 -0.40 -1.06 0.07 -2.88 0.00 0.00 179.24 175.00 2k5g h LYS 43 N -0.80 0.53 0.00 0.28 2.10 -1.93 -3.31 116.57 113.45 2k5g h LYS 43 Ca -0.07 -0.62 0.00 0.00 -2.00 0.00 0.00 60.65 57.95 2k5g h LYS 43 Cb 0.59 0.19 0.00 0.00 -0.90 0.00 0.00 32.23 32.11 2k5g h LYS 43 CO 0.12 1.24 0.00 0.07 -2.00 0.00 0.00 179.45 178.88 2k5g h ARG 44 N 0.28 0.00 0.00 0.07 0.11 -1.12 0.78 114.38 114.50 2k5g h ARG 44 Ca -0.12 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.96 2k5g h ARG 44 Cb 1.71 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.79 2k5g h ARG 44 CO 0.19 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.26 2k5g n ALA 45 N -1.93 2.12 0.00 0.08 0.00 -0.35 0.36 120.51 120.80 2k5g n ALA 45 Ca 0.03 -0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.44 2k5g n ALA 45 Cb 0.35 -1.35 -0.12 0.00 0.00 0.00 0.00 19.45 18.32 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 -1.30 0.49 0.00 0.00 0.00 0.25 -4.53 116.66 111.57 2k5g n ARG 46 Ca 0.10 -0.14 0.00 0.00 -0.00 0.00 0.00 57.85 57.81 2k5g n ARG 46 Cb 0.18 -1.36 0.00 0.00 0.00 0.00 0.00 32.46 31.27 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 -2.02 0.00 0.00 -0.14 4.27 -1.09 -2.09 117.44 116.37 2k5g n TRP 47 Ca -0.03 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.58 2k5g n TRP 47 Cb 0.40 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.35 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 -1.13 0.00 -3.56 5.67 -0.00 0.82 -4.72 117.00 114.09 2k5g n LEU 48 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.94 2k5g n LEU 48 Cb 0.00 0.04 -0.03 0.00 -0.00 0.00 0.00 43.42 43.43 2k5g n LEU 48 CO 0.00 -0.35 0.86 0.00 -0.00 0.00 0.00 177.39 177.90 2k5g s ALA 49 N -1.89 -1.96 0.89 1.96 0.00 0.16 -4.44 121.76 116.47 2k5g s ALA 49 Ca 0.00 1.38 -0.09 0.00 0.00 0.00 0.00 51.96 53.25 2k5g s ALA 49 Cb 0.00 -0.05 0.17 0.00 0.00 0.00 0.00 23.12 23.24 2k5g s ALA 49 CO 0.00 -0.58 1.04 0.41 0.00 0.00 0.00 175.76 176.63 2k5g n GLY 50 N -0.02 -0.69 0.00 0.00 0.00 0.18 -2.64 105.19 102.02 2k5g n GLY 50 Ca -0.05 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.12 1.94 0.00 -0.02 0.00 -1.25 -1.07 105.19 102.66 2k5g n GLY 51 Ca 0.14 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.84 2k5g n GLY 51 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k5g n GLU 52 N 2.55 0.44 -4.52 1.61 -0.58 -1.26 -4.41 120.64 114.47 2k5g n GLU 52 Ca 0.00 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.42 2k5g n GLU 52 Cb 0.00 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 30.76 2k5g n GLU 52 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2k5g s LEU 53 N 0.00 3.04 0.00 -4.62 1.43 -1.26 -4.62 118.68 112.64 2k5g s LEU 53 Ca 0.00 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 2k5g s LEU 53 Cb 0.00 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.47 2k5g s LEU 53 CO 0.00 0.28 0.00 -2.65 0.23 0.00 0.00 176.35 174.21 2k5g n PRO 54 N 1.58 0.37 -0.07 1.29 -0.02 -1.26 -5.05 135.00 131.84 2k5g n PRO 54 Ca -0.16 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.24 2k5g n PRO 54 Cb 0.52 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.92 2k5g n PRO 54 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2k5g n ARG 55 N -0.54 1.21 -4.37 -0.52 1.74 -1.26 -5.01 116.66 107.91 2k5g n ARG 55 Ca 0.00 0.04 -0.33 0.00 -0.77 0.00 0.00 57.85 56.79 2k5g n ARG 55 Cb 0.00 -1.32 -0.10 0.00 -1.02 0.00 0.00 32.46 30.02 2k5g n ARG 55 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2k5g s GLN 56 N -2.31 2.75 -0.41 5.56 -0.21 -1.26 -5.07 119.66 118.72 2k5g s GLN 56 Ca -0.14 -0.60 -0.28 0.00 0.02 0.00 0.00 55.36 54.36 2k5g s GLN 56 Cb 0.05 -2.64 -0.01 0.00 1.00 0.00 0.00 33.01 31.41 2k5g s GLN 56 CO 0.45 0.64 1.65 -2.14 -2.12 0.00 0.00 175.29 173.76 2k5g s PRO 57 N -1.35 3.32 0.00 2.91 0.02 -1.26 -2.11 135.00 136.53 2k5g s PRO 57 Ca 0.17 1.09 0.00 0.00 0.02 0.00 0.00 61.00 62.28 2k5g s PRO 57 Cb -0.11 -4.16 0.00 0.00 0.02 0.00 0.00 34.50 30.24 2k5g s PRO 57 CO 0.07 -1.88 0.00 0.41 -0.33 0.00 0.00 177.00 175.27 2k5g n GLY 58 N 5.34 1.55 3.88 0.52 0.00 -1.02 -5.00 105.19 110.46 2k5g n GLY 58 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 2k5g n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k5g s GLN 59 N 0.00 3.30 -0.12 1.61 -0.21 -0.90 -4.74 119.66 118.60 2k5g s GLN 59 Ca 0.00 0.59 -0.03 0.00 0.02 0.00 0.00 55.36 55.94 2k5g s GLN 59 Cb 0.00 -2.08 -0.03 0.00 1.00 0.00 0.00 33.01 31.90 2k5g s GLN 59 CO 0.00 -0.73 0.00 0.95 -2.12 0.00 0.00 175.29 173.39 2k5g s THR 60 N -3.22 4.29 0.23 -0.19 -4.23 -1.26 -1.47 115.64 109.79 2k5g s THR 60 Ca 0.56 -0.24 0.09 0.00 -1.18 0.00 0.00 61.69 60.91 2k5g s THR 60 Cb -0.11 -2.84 -0.04 0.00 1.34 0.00 0.00 72.50 70.85 2k5g s THR 60 CO 0.52 0.56 0.00 0.72 -0.54 0.00 0.00 174.62 175.89 2k5g s PHE 61 N -0.42 2.76 -0.29 3.99 -0.71 -0.29 -4.86 117.98 118.15 2k5g s PHE 61 Ca 0.08 -0.19 -0.07 0.00 -1.04 0.00 0.00 56.93 55.71 2k5g s PHE 61 Cb -0.12 -1.26 0.01 0.00 -1.21 0.00 0.00 43.02 40.43 2k5g s PHE 61 CO 0.02 0.58 0.08 -1.21 -1.34 0.00 0.00 175.22 173.35 2k5g s GLU 62 N -3.42 3.15 -0.11 1.99 2.02 -1.26 -0.64 118.70 120.44 2k5g s GLU 62 Ca 0.30 -0.82 -0.16 0.00 0.02 0.00 0.00 54.97 54.31 2k5g s GLU 62 Cb -0.07 -3.37 -0.05 0.00 0.10 0.00 0.00 34.13 30.73 2k5g s GLU 62 CO 0.19 -0.42 0.40 -1.17 0.02 0.00 0.00 175.26 174.28 2k5g s LEU 63 N 1.51 4.31 -0.27 1.80 2.96 -0.81 -3.94 118.68 124.25 2k5g s LEU 63 Ca 0.03 0.74 0.01 0.00 -0.22 0.00 0.00 54.13 54.69 2k5g s LEU 63 Cb -0.17 -2.55 0.07 0.00 0.50 0.00 0.00 46.19 44.04 2k5g s LEU 63 CO 0.03 0.11 -0.00 -2.28 -1.32 0.00 0.00 176.35 172.89 2k5g s HIS 64 N 0.16 2.49 0.16 5.38 5.65 -0.23 -0.26 115.29 128.64 2k5g s HIS 64 Ca 0.22 -1.97 -0.30 0.00 0.25 0.00 0.00 55.06 53.26 2k5g s HIS 64 Cb -0.15 -1.84 -0.07 0.00 -1.18 0.00 0.00 32.58 29.34 2k5g s HIS 64 CO 0.09 -0.82 1.18 -0.06 -0.65 0.00 0.00 174.74 174.47 2k5g s PHE 65 N 1.36 3.46 -0.11 3.88 0.08 0.35 0.50 117.98 127.50 2k5g s PHE 65 Ca 0.00 1.43 0.03 0.00 0.12 0.00 0.00 56.93 58.51 2k5g s PHE 65 Cb -0.19 -3.40 -0.00 0.00 -0.57 0.00 0.00 43.02 38.86 2k5g s PHE 65 CO -0.10 -1.10 -0.21 1.21 -0.10 0.00 0.00 175.22 174.93 2k5g s ASN 66 N 0.28 3.38 0.00 1.36 2.47 -1.26 -3.75 114.94 117.42 2k5g s ASN 66 Ca 0.53 -0.48 0.05 0.00 0.42 0.00 0.00 52.86 53.38 2k5g s ASN 66 Cb -0.31 -1.46 0.31 0.00 -1.45 0.00 0.00 41.25 38.33 2k5g s ASN 66 CO 0.35 0.16 1.14 0.00 -3.72 0.00 0.00 177.10 175.03 2k5g n HIS 67 N 3.51 0.00 -0.46 0.43 1.44 -1.16 -1.30 115.22 117.68 2k5g n HIS 67 Ca -0.19 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.56 2k5g n HIS 67 Cb 0.53 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.69 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 -0.59 2.04 -3.15 1.59 0.00 -1.26 -3.27 120.51 115.87 2k5g n ALA 68 Ca 0.04 -1.51 -0.45 0.00 0.00 0.00 0.00 53.44 51.52 2k5g n ALA 68 Cb 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 19.45 19.32 2k5g n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k5g s ALA 69 N -1.54 4.17 -0.30 0.00 0.00 -0.42 -4.65 121.76 119.02 2k5g s ALA 69 Ca 0.11 -3.43 -0.10 0.00 0.00 0.00 0.00 51.96 48.53 2k5g s ALA 69 Cb 0.09 -3.81 0.01 0.00 0.00 0.00 0.00 23.12 19.41 2k5g s ALA 69 CO 0.01 -2.52 0.39 -0.11 0.00 0.00 0.00 175.76 173.53 2k5g n LEU 70 N 4.47 -6.28 0.00 0.00 -0.00 -0.89 -4.44 117.00 109.86 2k5g n LEU 70 Ca 0.26 0.45 0.00 0.00 -0.00 0.00 0.00 56.01 56.72 2k5g n LEU 70 Cb 0.43 -2.72 0.00 0.00 -0.00 0.00 0.00 43.42 41.13 2k5g n LEU 70 CO 0.50 -1.76 0.00 0.41 -0.00 0.00 0.00 177.39 176.54 2k5g n THR 71 N -0.27 0.00 -1.04 1.96 -1.04 -1.26 -4.89 114.28 107.74 2k5g n THR 71 Ca 0.08 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.08 2k5g n THR 71 Cb 0.30 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.80 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 0.77 -0.02 0.27 2.41 0.00 -1.26 -4.54 120.51 118.14 2k5g n ALA 72 Ca 0.00 0.02 0.15 0.00 0.00 0.00 0.00 53.44 53.61 2k5g n ALA 72 Cb 0.00 -1.23 0.67 0.00 0.00 0.00 0.00 19.45 18.89 2k5g n ALA 72 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2k5g h GLU 73 N 0.19 0.00 -2.62 0.00 5.08 -1.89 -3.38 114.58 111.96 2k5g h GLU 73 Ca -0.02 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 2k5g h GLU 73 Cb 0.81 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.82 2k5g h GLU 73 CO 0.04 0.07 -0.22 0.99 -1.00 0.00 0.00 179.01 178.89 2k5g s THR 74 N -3.75 -0.01 0.09 1.13 2.01 -1.26 -5.05 115.64 108.81 2k5g s THR 74 Ca 0.00 0.03 -0.09 0.00 0.31 0.00 0.00 61.69 61.94 2k5g s THR 74 Cb 0.10 -0.64 0.00 0.00 0.01 0.00 0.00 72.50 71.97 2k5g s THR 74 CO 0.56 0.01 0.21 0.00 -0.69 0.00 0.00 174.62 174.71 2k5g s ALA 75 N 0.67 -0.27 0.10 7.40 0.00 -1.26 -5.06 121.76 123.34 2k5g s ALA 75 Ca -0.03 -0.58 -0.29 0.00 0.00 0.00 0.00 51.96 51.05 2k5g s ALA 75 Cb -0.05 0.52 -0.11 0.00 0.00 0.00 0.00 23.12 23.48 2k5g s ALA 75 CO -0.05 -0.53 1.63 -1.00 0.00 0.00 0.00 175.76 175.82 2k5g h PRO 76 N 2.71 -0.58 0.00 0.00 0.13 -2.00 -3.46 132.00 128.79 2k5g h PRO 76 Ca -0.34 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2k5g h PRO 76 Cb 1.20 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2k5g h PRO 76 CO 0.55 -0.39 0.00 0.00 -0.23 0.00 0.00 178.00 177.93 2k5g n ALA 77 N -2.62 0.00 1.28 -0.56 0.00 -1.26 -4.98 120.51 112.37 2k5g n ALA 77 Ca -0.08 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.38 2k5g n ALA 77 Cb 0.32 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.93 2k5g n ALA 77 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2k5g n ARG 78 N -1.49 0.64 0.00 0.00 0.00 -1.26 -0.70 116.66 113.84 2k5g n ARG 78 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.85 57.91 2k5g n ARG 78 Cb 0.00 -1.13 -0.02 0.00 -0.00 0.00 0.00 32.46 31.31 2k5g n ARG 78 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2k5g n TYR 79 N -0.63 0.00 1.65 2.89 4.01 -1.26 -4.48 117.16 119.34 2k5g n TYR 79 Ca 0.04 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.80 2k5g n TYR 79 Cb 0.02 0.00 0.12 0.00 -0.31 0.00 0.00 39.34 39.17 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 -0.50 2.35 0.02 -0.72 0.00 0.12 -3.04 120.51 118.74 2k5g n ALA 80 Ca 0.05 -0.03 0.02 0.00 0.00 0.00 0.00 53.44 53.48 2k5g n ALA 80 Cb 0.25 -1.07 0.37 0.00 0.00 0.00 0.00 19.45 19.01 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 0.48 0.00 0.00 4.15 -1.78 -1.30 115.11 116.66 2k5g h GLN 81 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.35 2k5g h GLN 81 Cb 0.00 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.60 2k5g h GLN 81 CO 0.00 0.43 0.00 0.66 -1.93 0.00 0.00 178.83 177.99 2k5g n TYR 82 N -4.37 0.36 1.82 3.99 4.02 -1.17 -2.77 117.16 119.03 2k5g n TYR 82 Ca 0.02 0.11 0.15 0.00 -0.01 0.00 0.00 57.90 58.17 2k5g n TYR 82 Cb 0.16 -0.67 0.85 0.00 -0.02 0.00 0.00 39.34 39.66 2k5g n TYR 82 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2k5g n ASP 83 N -1.79 0.19 -4.89 7.72 2.03 -0.49 -2.97 116.55 116.35 2k5g n ASP 83 Ca 0.06 -0.89 -0.35 0.00 0.52 0.00 0.00 54.79 54.13 2k5g n ASP 83 Cb 0.37 -0.05 -0.05 0.00 -0.72 0.00 0.00 41.12 40.67 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 -2.12 3.52 -0.79 -0.67 1.81 -1.11 -4.78 118.95 114.80 2k5g s ARG 84 Ca 0.43 -0.13 -0.25 0.00 -1.72 0.00 0.00 55.73 54.06 2k5g s ARG 84 Cb 0.21 -3.12 -0.02 0.00 -0.45 0.00 0.00 34.95 31.57 2k5g s ARG 84 CO 0.39 0.69 1.81 -2.14 -0.68 0.00 0.00 175.30 175.37 2k5g s PRO 85 N -1.57 2.73 -0.00 3.54 0.02 -1.26 -4.66 135.00 133.80 2k5g s PRO 85 Ca 0.24 -0.04 0.06 0.00 0.02 0.00 0.00 61.00 61.28 2k5g s PRO 85 Cb -0.13 -4.78 -0.02 0.00 0.02 0.00 0.00 34.50 29.60 2k5g s PRO 85 CO 0.13 -2.93 -0.18 -1.50 -0.33 0.00 0.00 177.00 172.19 2k5g s ILE 86 N 8.86 1.45 -0.04 2.83 2.07 -1.25 -5.04 121.20 130.09 2k5g s ILE 86 Ca 0.64 -0.84 0.02 0.00 -1.41 0.00 0.00 60.65 59.05 2k5g s ILE 86 Cb -0.08 -1.22 0.01 0.00 0.13 0.00 0.00 42.46 41.30 2k5g s ILE 86 CO 0.07 0.36 -0.08 0.54 -1.91 0.00 0.00 174.94 173.93 2k5g s VAL 87 N -0.50 0.74 -0.12 4.00 0.11 -1.26 -0.50 120.40 122.87 2k5g s VAL 87 Ca 0.07 -0.28 -0.03 0.00 -2.93 0.00 0.00 61.98 58.80 2k5g s VAL 87 Cb -0.07 -0.70 0.05 0.00 -1.53 0.00 0.00 36.38 34.13 2k5g s VAL 87 CO -0.00 0.25 0.06 0.00 -3.33 0.00 0.00 175.10 172.08 2k5g s ALA 88 N 0.57 0.48 0.26 1.54 0.00 0.64 -4.97 121.76 120.28 2k5g s ALA 88 Ca -0.09 -0.19 -0.14 0.00 0.00 0.00 0.00 51.96 51.54 2k5g s ALA 88 Cb -0.12 -0.90 -0.08 0.00 0.00 0.00 0.00 23.12 22.02 2k5g s ALA 88 CO 0.01 -0.89 0.65 -0.98 0.00 0.00 0.00 175.76 174.56 2k5g s ARG 89 N 2.09 3.96 0.04 0.00 1.70 -1.26 -1.92 118.95 123.56 2k5g s ARG 89 Ca 0.03 0.54 -0.08 0.00 -0.47 0.00 0.00 55.73 55.74 2k5g s ARG 89 Cb -0.15 -2.61 0.00 0.00 -0.57 0.00 0.00 34.95 31.63 2k5g s ARG 89 CO -0.07 0.27 0.17 -1.01 -1.08 0.00 0.00 175.30 173.59 2k5g s HIS 90 N -1.82 0.09 0.20 5.89 3.76 0.19 -4.94 115.29 118.67 2k5g s HIS 90 Ca 0.49 -0.34 -0.29 0.00 -0.15 0.00 0.00 55.06 54.77 2k5g s HIS 90 Cb -0.12 -0.06 -0.08 0.00 1.11 0.00 0.00 32.58 33.43 2k5g s HIS 90 CO 0.19 -0.42 0.92 0.99 -0.85 0.00 0.00 174.74 175.57 2k5g s THR 91 N -2.61 4.20 0.10 1.30 2.01 -1.26 -1.14 115.64 118.24 2k5g s THR 91 Ca -0.05 2.02 -0.30 0.00 0.31 0.00 0.00 61.69 63.67 2k5g s THR 91 Cb -0.01 -4.30 -0.06 0.00 0.01 0.00 0.00 72.50 68.14 2k5g s THR 91 CO -0.04 0.47 1.15 -0.76 -0.69 0.00 0.00 174.62 174.75 2k5g s LEU 92 N -0.94 4.41 -0.02 4.42 2.01 -0.54 -3.42 118.68 124.60 2k5g s LEU 92 Ca 0.41 2.03 -0.01 0.00 0.01 0.00 0.00 54.13 56.56 2k5g s LEU 92 Cb -0.25 -3.59 -0.00 0.00 0.01 0.00 0.00 46.19 42.36 2k5g s LEU 92 CO 0.31 -0.37 -0.03 0.25 1.01 0.00 0.00 176.35 177.52 2k5g h LEU 93 N 6.18 0.00 -7.30 1.79 7.12 -1.06 -2.69 115.31 119.34 2k5g h LEU 93 Ca -0.43 0.00 -0.27 0.00 0.13 0.00 0.00 57.88 57.32 2k5g h LEU 93 Cb 1.21 0.00 -0.34 0.00 -0.53 0.00 0.00 40.66 41.00 2k5g h LEU 93 CO 0.78 0.12 -0.61 -0.60 -0.13 0.00 0.00 178.44 177.99 2k5g s ARG 94 N -1.19 0.07 -0.12 1.25 3.52 -1.20 -4.73 118.95 116.55 2k5g s ARG 94 Ca -0.02 0.53 -0.03 0.00 -0.13 0.00 0.00 55.73 56.08 2k5g s ARG 94 Cb 0.00 -0.22 0.05 0.00 -1.56 0.00 0.00 34.95 33.22 2k5g s ARG 94 CO 0.03 -0.26 0.06 0.00 -0.81 0.00 0.00 175.30 174.32 2k5g s GLU 96 N 2.09 1.09 0.29 0.00 -1.05 0.71 -4.99 118.70 116.83 2k5g s GLU 96 Ca 0.03 -1.91 -0.29 0.00 -0.15 0.00 0.00 54.97 52.65 2k5g s GLU 96 Cb -0.14 -1.96 -0.10 0.00 -0.44 0.00 0.00 34.13 31.49 2k5g s GLU 96 CO -0.06 -1.22 1.20 -1.25 0.95 0.00 0.00 175.26 174.88 2k5g s PRO 97 N 0.40 4.50 -0.46 -4.83 0.04 -1.26 -1.57 135.00 131.82 2k5g s PRO 97 Ca 0.21 1.99 -0.14 0.00 0.04 0.00 0.00 61.00 63.09 2k5g s PRO 97 Cb -0.18 -3.15 0.08 0.00 0.04 0.00 0.00 34.50 31.29 2k5g s PRO 97 CO -0.04 0.00 0.36 -1.25 0.04 0.00 0.00 177.00 176.12 2k5g s PRO 98 N -1.40 2.87 0.00 0.56 0.04 -1.26 -5.02 135.00 130.79 2k5g s PRO 98 Ca 0.48 -1.40 0.00 0.00 0.04 0.00 0.00 61.00 60.11 2k5g s PRO 98 Cb -0.35 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.15 2k5g s PRO 98 CO 0.45 -1.02 0.00 0.54 0.04 0.00 0.00 177.00 177.01 2k5g n ARG 99 N 5.12 0.00 -4.54 4.56 5.12 -0.61 -4.86 116.66 121.45 2k5g n ARG 99 Ca -0.12 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.57 2k5g n ARG 99 Cb 0.43 0.00 -0.16 0.00 -1.16 0.00 0.00 32.46 31.57 2k5g n ARG 99 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2k5g s VAL 100 N -0.75 1.02 0.04 1.55 1.01 -1.14 -1.36 120.40 120.76 2k5g s VAL 100 Ca 0.00 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.54 2k5g s VAL 100 Cb 0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 2k5g s VAL 100 CO 0.00 0.31 -0.11 -1.48 0.00 0.00 0.00 175.10 173.83 2k5g s LEU 101 N 0.27 2.19 -0.08 3.92 0.05 -0.26 -0.21 118.68 124.57 2k5g s LEU 101 Ca -0.06 -0.45 -0.06 0.00 0.05 0.00 0.00 54.13 53.61 2k5g s LEU 101 Cb -0.11 -0.40 0.03 0.00 -2.05 0.00 0.00 46.19 43.66 2k5g s LEU 101 CO 0.02 -0.05 0.20 0.00 -0.55 0.00 0.00 176.35 175.96 2k5g s ALA 102 N -0.97 -0.46 0.34 1.48 0.00 0.12 -0.11 121.76 122.16 2k5g s ALA 102 Ca -0.03 0.67 0.04 0.00 0.00 0.00 0.00 51.96 52.65 2k5g s ALA 102 Cb -0.08 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 2k5g s ALA 102 CO 0.01 -0.13 0.18 -0.48 0.00 0.00 0.00 175.76 175.34 2k5g s LEU 103 N 0.54 1.77 0.04 0.00 2.34 -0.39 -0.43 118.68 122.55 2k5g s LEU 103 Ca -0.04 -1.64 0.04 0.00 0.06 0.00 0.00 54.13 52.55 2k5g s LEU 103 Cb -0.05 0.21 -0.04 0.00 -0.56 0.00 0.00 46.19 45.75 2k5g s LEU 103 CO -0.03 -0.94 -0.04 0.28 -1.06 0.00 0.00 176.35 174.56 2k5g s THR 104 N -3.46 3.81 -0.05 5.48 -1.32 -1.22 0.76 115.64 119.64 2k5g s THR 104 Ca 0.34 -0.86 0.05 0.00 -1.21 0.00 0.00 61.69 60.01 2k5g s THR 104 Cb 0.04 -2.73 -0.01 0.00 -1.51 0.00 0.00 72.50 68.29 2k5g s THR 104 CO 0.19 0.28 -0.21 0.86 -2.21 0.00 0.00 174.62 173.53 2k5g s TRP 105 N -1.13 2.05 0.00 9.09 -0.11 0.28 -4.80 118.94 124.31 2k5g s TRP 105 Ca 0.20 -0.59 0.00 0.00 1.22 0.00 0.00 56.10 56.94 2k5g s TRP 105 Cb -0.11 -1.36 0.00 0.00 -1.50 0.00 0.00 33.47 30.50 2k5g s TRP 105 CO 0.12 -0.18 0.00 0.41 -4.62 0.00 0.00 176.95 172.68 2k5g n GLY 106 N 3.02 1.58 0.61 5.86 0.00 -1.26 -2.74 105.19 112.25 2k5g n GLY 106 Ca -0.18 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 1.23 0.00 -0.02 0.00 -1.26 -4.99 105.19 100.15 2k5g n GLY 107 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.61 2.90 3.56 -0.02 0.00 -1.26 -5.00 105.19 104.76 2k5g n GLY 108 Ca 0.00 -2.11 -0.43 0.00 0.00 0.00 0.00 46.02 43.49 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 -2.00 3.23 0.00 4.61 0.00 -1.26 -4.65 121.76 121.69 2k5g s ALA 109 Ca 0.00 -2.80 0.00 0.00 0.00 0.00 0.00 51.96 49.16 2k5g s ALA 109 Cb 0.00 -4.56 0.00 0.00 0.00 0.00 0.00 23.12 18.56 2k5g s ALA 109 CO 0.00 -3.32 0.00 0.41 0.00 0.00 0.00 175.76 172.85 2k5g n GLY 110 N 5.65 -1.41 6.68 0.00 0.00 -1.26 -5.15 105.19 109.69 2k5g n GLY 110 Ca 0.43 0.95 0.01 0.00 0.00 0.00 0.00 46.02 47.41 2k5g n GLY 110 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k5g n GLU 111 N 0.00 -0.15 -2.39 1.61 -0.58 -1.26 -4.77 120.64 113.10 2k5g n GLU 111 Ca 0.00 0.10 -0.38 0.00 -0.42 0.00 0.00 57.16 56.46 2k5g n GLU 111 Cb 0.00 -0.19 -0.03 0.00 -0.57 0.00 0.00 31.44 30.66 2k5g n GLU 111 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k5g s ALA 112 N -1.92 3.13 0.05 0.62 0.00 -1.26 -4.87 121.76 117.51 2k5g s ALA 112 Ca 0.00 0.87 -0.30 0.00 0.00 0.00 0.00 51.96 52.52 2k5g s ALA 112 Cb 0.00 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.69 2k5g s ALA 112 CO 0.00 -0.41 1.94 -2.14 0.00 0.00 0.00 175.76 175.15 2k5g s PRO 113 N -2.35 4.14 0.54 0.00 0.02 -1.26 -4.90 135.00 131.19 2k5g s PRO 113 Ca 0.57 2.61 -0.21 0.00 0.02 0.00 0.00 61.00 63.99 2k5g s PRO 113 Cb -0.28 -4.04 -0.05 0.00 0.02 0.00 0.00 34.50 30.15 2k5g s PRO 113 CO 0.34 -0.93 1.24 -1.12 -0.33 0.00 0.00 177.00 176.20 2k5g s SER 114 N 4.08 5.50 0.09 2.53 0.01 -1.11 -4.80 113.70 120.00 2k5g s SER 114 Ca 0.87 2.47 0.07 0.00 1.31 0.00 0.00 55.95 60.67 2k5g s SER 114 Cb -0.43 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.15 2k5g s SER 114 CO 0.40 -1.39 -0.12 -1.83 0.41 0.00 0.00 173.24 170.71 2k5g s GLU 115 N -3.03 2.08 -0.21 12.44 -1.05 -0.18 0.99 118.70 129.75 2k5g s GLU 115 Ca 0.72 -1.03 -0.01 0.00 -0.15 0.00 0.00 54.97 54.50 2k5g s GLU 115 Cb -0.33 -2.27 0.01 0.00 -0.44 0.00 0.00 34.13 31.11 2k5g s GLU 115 CO 0.38 0.51 -0.12 0.08 0.95 0.00 0.00 175.26 177.05 2k5g s VAL 116 N -1.16 2.62 -0.23 1.83 1.01 0.23 -0.54 120.40 124.15 2k5g s VAL 116 Ca 0.20 -0.83 -0.07 0.00 0.00 0.00 0.00 61.98 61.27 2k5g s VAL 116 Cb -0.11 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 2k5g s VAL 116 CO 0.12 0.43 0.06 -0.76 0.00 0.00 0.00 175.10 174.94 2k5g s LEU 117 N 1.35 3.46 -0.29 3.92 2.01 0.18 -1.26 118.68 128.05 2k5g s LEU 117 Ca 0.04 -0.17 -0.10 0.00 0.01 0.00 0.00 54.13 53.91 2k5g s LEU 117 Cb -0.14 -1.91 -0.03 0.00 0.01 0.00 0.00 46.19 44.12 2k5g s LEU 117 CO -0.08 0.01 0.15 -0.36 1.01 0.00 0.00 176.35 177.08 2k5g s PHE 118 N 1.35 3.17 -0.22 0.29 0.08 0.85 -1.22 117.98 122.28 2k5g s PHE 118 Ca 0.05 -0.24 -0.00 0.00 0.12 0.00 0.00 56.93 56.85 2k5g s PHE 118 Cb -0.15 -2.34 0.06 0.00 -0.57 0.00 0.00 43.02 40.02 2k5g s PHE 118 CO 0.03 -0.31 -0.03 -1.21 -0.10 0.00 0.00 175.22 173.59 2k5g s GLU 119 N 1.68 1.40 -0.20 0.44 2.02 -1.17 -1.10 118.70 121.77 2k5g s GLU 119 Ca 0.06 -0.83 -0.08 0.00 0.02 0.00 0.00 54.97 54.14 2k5g s GLU 119 Cb -0.16 -2.45 -0.04 0.00 0.10 0.00 0.00 34.13 31.58 2k5g s GLU 119 CO 0.08 -0.60 0.08 -0.51 0.02 0.00 0.00 175.26 174.33 2k5g s LEU 120 N 1.51 3.85 -0.08 1.80 1.43 -0.46 -2.01 118.68 124.72 2k5g s LEU 120 Ca -0.04 0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 2k5g s LEU 120 Cb -0.18 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 2k5g s LEU 120 CO -0.07 0.13 -0.07 -0.44 0.23 0.00 0.00 176.35 176.13 2k5g s SER 121 N 0.63 4.58 -0.16 2.29 0.01 0.15 -4.73 113.70 116.47 2k5g s SER 121 Ca 0.04 -0.06 -0.17 0.00 1.31 0.00 0.00 55.95 57.08 2k5g s SER 121 Cb -0.13 -1.21 -0.04 0.00 0.21 0.00 0.00 66.02 64.85 2k5g s SER 121 CO 0.01 0.34 0.42 -1.83 0.41 0.00 0.00 173.24 172.59 2k5g s GLU 122 N -0.66 4.25 -0.51 12.44 -1.05 -1.26 -0.63 118.70 131.27 2k5g s GLU 122 Ca 0.10 0.30 0.07 0.00 -0.15 0.00 0.00 54.97 55.29 2k5g s GLU 122 Cb -0.11 -3.48 0.26 0.00 -0.44 0.00 0.00 34.13 30.35 2k5g s GLU 122 CO 0.02 0.07 0.66 0.00 0.95 0.00 0.00 175.26 176.95 2k5g n ALA 123 N 4.06 3.28 -0.66 -0.84 0.00 0.20 -4.95 120.51 121.60 2k5g n ALA 123 Ca -0.08 -4.10 0.00 0.00 0.00 0.00 0.00 53.44 49.26 2k5g n ALA 123 Cb 0.51 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 1.02 0.97 1.04 0.00 0.00 -1.26 -1.52 105.19 105.43 2k5g n GLY 124 Ca 0.26 0.37 0.12 0.00 0.00 0.00 0.00 46.02 46.76 2k5g n GLY 124 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k5g n GLU 125 N 0.00 2.38 -4.25 1.61 1.02 -1.26 -4.14 120.64 116.00 2k5g n GLU 125 Ca 0.00 -2.06 -0.14 0.00 -0.02 0.00 0.00 57.16 54.94 2k5g n GLU 125 Cb 0.00 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 29.83 2k5g n GLU 125 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2k5g s GLN 126 N -1.66 1.22 -0.01 3.49 -0.21 -0.58 -0.45 119.66 121.47 2k5g s GLN 126 Ca 0.36 -1.63 0.01 0.00 0.02 0.00 0.00 55.36 54.12 2k5g s GLN 126 Cb 0.22 -0.07 -0.00 0.00 1.00 0.00 0.00 33.01 34.15 2k5g s GLN 126 CO 0.31 -0.27 -0.04 0.14 -2.12 0.00 0.00 175.29 173.31 2k5g s VAL 127 N -3.86 0.34 -0.23 1.09 -7.23 0.94 0.60 120.40 112.04 2k5g s VAL 127 Ca 0.33 -0.17 -0.21 0.00 -1.81 0.00 0.00 61.98 60.11 2k5g s VAL 127 Cb 0.07 -0.30 -0.02 0.00 0.56 0.00 0.00 36.38 36.69 2k5g s VAL 127 CO 0.09 0.10 0.66 -0.13 -0.31 0.00 0.00 175.10 175.52 2k5g s ARG 128 N -0.03 4.15 -0.21 4.82 0.52 0.19 -0.21 118.95 128.19 2k5g s ARG 128 Ca 0.01 0.64 -0.06 0.00 -0.52 0.00 0.00 55.73 55.80 2k5g s ARG 128 Cb -0.03 -3.63 -0.03 0.00 0.52 0.00 0.00 34.95 31.79 2k5g s ARG 128 CO -0.00 -0.38 0.03 -1.17 0.02 0.00 0.00 175.30 173.80 2k5g s LEU 129 N 2.38 3.38 -0.24 2.53 0.20 0.48 -0.67 118.68 126.75 2k5g s LEU 129 Ca 0.28 -0.17 -0.03 0.00 0.69 0.00 0.00 54.13 54.91 2k5g s LEU 129 Cb -0.16 -1.87 0.01 0.00 -0.43 0.00 0.00 46.19 43.74 2k5g s LEU 129 CO 0.09 0.04 -0.05 -0.69 -0.29 0.00 0.00 176.35 175.45 2k5g s VAL 130 N 1.13 3.07 -0.36 1.68 1.01 -0.85 -0.13 120.40 125.94 2k5g s VAL 130 Ca 0.03 -0.80 -0.23 0.00 0.00 0.00 0.00 61.98 60.98 2k5g s VAL 130 Cb -0.14 -2.48 0.01 0.00 0.00 0.00 0.00 36.38 33.76 2k5g s VAL 130 CO 0.02 0.30 0.79 -0.22 0.00 0.00 0.00 175.10 175.99 2k5g s LEU 131 N 1.39 4.12 -0.14 3.92 1.98 0.14 -3.05 118.68 127.04 2k5g s LEU 131 Ca 0.03 0.38 -0.01 0.00 -2.89 0.00 0.00 54.13 51.64 2k5g s LEU 131 Cb -0.15 -3.04 -0.02 0.00 0.66 0.00 0.00 46.19 43.64 2k5g s LEU 131 CO -0.04 -0.73 -0.12 -0.89 -1.89 0.00 0.00 176.35 172.68 2k5g s THR 132 N 3.11 3.15 -0.22 3.68 2.01 -0.36 -0.79 115.64 126.23 2k5g s THR 132 Ca 0.32 -0.62 -0.01 0.00 0.31 0.00 0.00 61.69 61.68 2k5g s THR 132 Cb -0.13 -2.33 0.06 0.00 0.01 0.00 0.00 72.50 70.11 2k5g s THR 132 CO 0.17 0.52 -0.01 -2.28 -0.69 0.00 0.00 174.62 172.32 2k5g s HIS 133 N 0.41 1.79 0.36 4.92 5.04 0.13 0.48 115.29 128.42 2k5g s HIS 133 Ca -0.09 -1.37 0.08 0.00 -1.54 0.00 0.00 55.06 52.13 2k5g s HIS 133 Cb -0.16 -1.35 -0.03 0.00 0.04 0.00 0.00 32.58 31.09 2k5g s HIS 133 CO 0.05 -0.71 0.31 0.99 -2.34 0.00 0.00 174.74 173.04 2k5g s THR 134 N 1.60 3.30 -0.64 0.89 2.01 0.30 -2.22 115.64 120.88 2k5g s THR 134 Ca -0.03 -1.37 -0.01 0.00 0.31 0.00 0.00 61.69 60.59 2k5g s THR 134 Cb -0.18 -3.13 -0.01 0.00 0.01 0.00 0.00 72.50 69.19 2k5g s THR 134 CO -0.07 -0.13 0.54 0.54 -0.69 0.00 0.00 174.62 174.80 2k5g n ARG 135 N -1.42 -3.00 -5.01 4.92 3.00 -1.26 -1.01 116.66 112.89 2k5g n ARG 135 Ca -0.00 0.47 -0.27 0.00 -0.01 0.00 0.00 57.85 58.03 2k5g n ARG 135 Cb 0.60 -4.22 -0.16 0.00 0.00 0.00 0.00 32.46 28.68 2k5g n ARG 135 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2k5g s LEU 136 N -4.37 2.03 0.00 0.55 1.43 -1.26 -4.46 118.68 112.60 2k5g s LEU 136 Ca 0.07 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 2k5g s LEU 136 Cb -0.01 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 45.15 2k5g s LEU 136 CO 0.40 0.25 0.00 0.00 0.23 0.00 0.00 176.35 177.23 2k5g n ALA 137 N 2.62 0.90 -2.93 4.21 0.00 -1.26 -4.59 120.51 119.45 2k5g n ALA 137 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.18 2k5g n ALA 137 Cb 0.53 0.03 -0.11 0.00 0.00 0.00 0.00 19.45 19.90 2k5g n ALA 137 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k5g s ASP 138 N -1.03 0.44 0.55 0.00 -1.08 -1.26 -5.02 116.67 109.26 2k5g s ASP 138 Ca 0.00 -0.49 0.25 0.00 -0.52 0.00 0.00 52.55 51.79 2k5g s ASP 138 Cb 0.00 0.07 1.46 0.00 -1.46 0.00 0.00 42.92 43.00 2k5g s ASP 138 CO 0.00 -0.25 2.04 -0.09 0.52 0.00 0.00 175.17 177.39 2k5g h ARG 139 N 4.68 0.00 -0.37 4.34 1.12 -1.97 0.50 114.38 122.68 2k5g h ARG 139 Ca -0.33 0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 58.48 2k5g h ARG 139 Cb 1.21 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 31.15 2k5g h ARG 139 CO 0.41 0.00 -0.02 0.00 -3.11 0.00 0.00 179.97 177.25 2k5g h ALA 140 N 1.76 1.28 -0.00 2.80 0.00 -1.95 0.14 119.26 123.29 2k5g h ALA 140 Ca 0.16 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2k5g h ALA 140 Cb 0.71 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2k5g h ALA 140 CO -0.00 0.49 -0.00 0.00 0.00 0.00 0.00 179.25 179.73 2k5g h ALA 141 N 1.42 0.00 -0.54 0.00 0.00 -1.31 0.38 119.26 119.22 2k5g h ALA 141 Ca 0.12 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.94 2k5g h ALA 141 Cb 0.39 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.08 2k5g h ALA 141 CO 0.02 -0.30 -0.09 0.52 0.00 0.00 0.00 179.25 179.39 2k5g h MET 142 N -0.38 0.04 0.00 0.00 2.07 -1.30 0.21 114.93 115.57 2k5g h MET 142 Ca 0.00 -0.00 -0.03 0.00 -2.07 0.00 0.00 59.70 57.60 2k5g h MET 142 Cb 0.38 -0.01 -0.00 0.00 -1.87 0.00 0.00 31.60 30.10 2k5g h MET 142 CO 0.00 0.02 -0.14 -0.07 1.07 0.00 0.00 176.91 177.80 2k5g h LEU 143 N 0.04 0.00 -0.26 1.22 3.38 -0.47 0.31 115.31 119.51 2k5g h LEU 143 Ca 0.26 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 2k5g h LEU 143 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2k5g h LEU 143 CO -0.52 0.14 -0.05 -0.78 0.09 0.00 0.00 178.44 177.32 2k5g h ASP 144 N 0.00 0.50 1.00 -0.43 3.58 0.30 -3.11 116.42 118.26 2k5g h ASP 144 Ca -0.00 -0.36 -0.16 0.00 0.42 0.00 0.00 57.03 56.93 2k5g h ASP 144 Cb 0.37 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.25 2k5g h ASP 144 CO 0.02 0.74 -1.06 -0.37 -2.88 0.00 0.00 179.24 175.69 2k5g h VAL 145 N 0.25 0.82 0.00 2.25 -1.51 -1.09 -3.36 116.25 113.62 2k5g h VAL 145 Ca 0.07 -2.33 -0.00 0.00 -1.23 0.00 0.00 66.70 63.21 2k5g h VAL 145 Cb 0.51 2.31 -0.00 0.00 -2.13 0.00 0.00 31.29 31.99 2k5g h VAL 145 CO 0.02 0.47 -0.02 0.00 -1.23 0.00 0.00 177.57 176.81 2k5g h ALA 146 N 1.36 1.13 -1.41 5.19 0.00 -0.32 -2.02 119.26 123.18 2k5g h ALA 146 Ca -0.10 -0.02 0.41 0.00 0.00 0.00 0.00 54.91 55.20 2k5g h ALA 146 Cb 1.58 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.30 2k5g h ALA 146 CO 0.07 0.03 1.01 0.78 0.00 0.00 0.00 179.25 181.14 2k5g h GLY 147 N 0.53 0.08 0.00 0.00 0.00 -1.71 -3.21 103.07 98.76 2k5g h GLY 147 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2k5g h GLY 147 CO 0.00 -0.02 0.00 0.61 0.00 0.00 0.00 176.54 177.14 2k5g n GLY 148 N -1.80 1.00 0.13 4.60 0.00 -1.16 -4.93 105.19 103.04 2k5g n GLY 148 Ca 0.31 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.20 -0.78 1.61 -0.00 -1.37 -3.34 115.95 111.86 2k5g h TRP 149 Ca 0.00 -0.00 0.10 0.00 -0.00 0.00 0.00 58.89 58.99 2k5g h TRP 149 Cb 0.36 0.07 -0.08 0.00 -0.00 0.00 0.00 29.16 29.51 2k5g h TRP 149 CO 0.00 0.17 0.42 1.12 -0.00 0.00 0.00 178.44 180.15 2k5g h HIS 150 N -0.95 0.76 -0.42 2.65 2.07 -1.79 -1.11 115.15 116.36 2k5g h HIS 150 Ca -0.02 0.03 0.12 0.00 -2.85 0.00 0.00 60.37 57.65 2k5g h HIS 150 Cb 0.46 -0.22 -0.02 0.00 2.57 0.00 0.00 27.41 30.20 2k5g h HIS 150 CO 0.07 0.28 0.33 0.00 -3.07 0.00 0.00 177.93 175.55 2k5g h ALA 151 N 1.46 2.29 0.00 6.11 0.00 -1.86 -1.47 119.26 125.79 2k5g h ALA 151 Ca 0.39 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 2k5g h ALA 151 Cb 0.41 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2k5g h ALA 151 CO -0.27 -0.55 -0.01 1.12 0.00 0.00 0.00 179.25 179.54 2k5g h HIS 152 N 0.00 0.00 -0.24 0.00 2.07 -1.32 0.06 115.15 115.72 2k5g h HIS 152 Ca 0.20 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.61 2k5g h HIS 152 Cb 0.86 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.83 2k5g h HIS 152 CO 0.00 0.01 -0.30 -0.07 -3.07 0.00 0.00 177.93 174.50 2k5g h LEU 153 N 0.00 0.49 -0.09 6.12 3.38 -1.44 -1.08 115.31 122.70 2k5g h LEU 153 Ca -0.00 -0.18 -0.24 0.00 0.09 0.00 0.00 57.88 57.54 2k5g h LEU 153 Cb 0.04 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.66 2k5g h LEU 153 CO 0.00 0.78 -1.03 0.00 0.09 0.00 0.00 178.44 178.28 2k5g h ALA 154 N 1.26 0.28 -0.48 1.53 0.00 -1.16 -2.72 119.26 117.96 2k5g h ALA 154 Ca 0.05 -0.75 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 2k5g h ALA 154 Cb 0.74 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2k5g h ALA 154 CO 0.06 0.83 0.27 0.28 0.00 0.00 0.00 179.25 180.69 2k5g h VAL 155 N 0.21 1.16 0.28 0.00 2.07 -1.33 -1.16 116.25 117.48 2k5g h VAL 155 Ca -0.10 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 2k5g h VAL 155 Cb 1.69 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 2k5g h VAL 155 CO 0.18 0.17 -0.46 -0.07 0.02 0.00 0.00 177.57 177.41 2k5g h LEU 156 N 0.63 -1.34 -0.60 2.57 3.38 -1.16 -1.45 115.31 117.35 2k5g h LEU 156 Ca 0.17 0.12 0.09 0.00 0.09 0.00 0.00 57.88 58.36 2k5g h LEU 156 Cb 0.04 0.47 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 2k5g h LEU 156 CO -0.03 -0.55 0.21 0.00 0.09 0.00 0.00 178.44 178.16 2k5g h ALA 157 N -0.83 0.76 0.11 1.53 0.00 -1.38 0.38 119.26 119.84 2k5g h ALA 157 Ca -0.03 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2k5g h ALA 157 Cb 0.73 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2k5g h ALA 157 CO -0.16 -0.21 -0.17 0.78 0.00 0.00 0.00 179.25 179.49 2k5g h GLY 158 N 0.38 -0.32 1.63 0.00 0.00 -1.01 -0.54 103.07 103.22 2k5g h GLY 158 Ca 0.30 0.20 -0.24 0.00 0.00 0.00 0.00 47.33 47.60 2k5g h GLY 158 CO -0.32 -0.17 -1.04 0.50 0.00 0.00 0.00 176.54 175.52 2k5g h LYS 159 N -0.34 0.31 0.00 4.80 1.79 -0.84 -2.53 116.57 119.75 2k5g h LYS 159 Ca 0.02 -0.40 -0.04 0.00 -2.18 0.00 0.00 60.65 58.06 2k5g h LYS 159 Cb 0.36 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.13 2k5g h LYS 159 CO -0.09 1.11 -0.19 -0.07 -1.08 0.00 0.00 179.45 179.13 2k5g h LEU 160 N 0.14 0.00 -1.11 2.94 3.38 -0.17 0.16 115.31 120.65 2k5g h LEU 160 Ca -0.09 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 2k5g h LEU 160 Cb 1.71 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.45 2k5g h LEU 160 CO 0.17 0.19 -0.43 0.00 0.09 0.00 0.00 178.44 178.46 2k5g h ALA 161 N 1.81 1.21 0.00 1.53 0.00 -1.02 -3.44 119.26 119.34 2k5g h ALA 161 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2k5g h ALA 161 Cb 0.38 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2k5g h ALA 161 CO 0.02 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.22 2k5g n GLY 162 N -0.17 0.86 0.00 0.00 0.00 0.55 0.50 105.19 106.93 2k5g n GLY 162 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.10 1.43 -2.90 1.61 10.64 -0.96 -4.08 117.38 121.02 2k5g n GLN 163 Ca 0.00 0.00 -0.34 0.00 -1.83 0.00 0.00 57.00 54.83 2k5g n GLN 163 Cb 0.00 0.00 -0.07 0.00 -0.86 0.00 0.00 30.24 29.31 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 -2.00 3.18 0.57 2.61 0.00 -1.26 -4.19 121.76 120.67 2k5g s ALA 164 Ca 0.00 0.35 -0.16 0.00 0.00 0.00 0.00 51.96 52.14 2k5g s ALA 164 Cb 0.00 -3.06 -0.05 0.00 0.00 0.00 0.00 23.12 20.02 2k5g s ALA 164 CO 0.00 0.20 1.05 -1.25 0.00 0.00 0.00 175.76 175.76 2k5g s PRO 165 N -2.67 3.47 0.81 0.00 0.04 -1.26 -4.75 135.00 130.63 2k5g s PRO 165 Ca 0.55 1.20 -0.10 0.00 0.04 0.00 0.00 61.00 62.68 2k5g s PRO 165 Cb -0.13 -2.05 0.08 0.00 0.04 0.00 0.00 34.50 32.44 2k5g s PRO 165 CO 0.18 -0.69 1.11 -1.25 0.04 0.00 0.00 177.00 176.38 2k5g s PRO 166 N -3.95 1.95 -0.35 0.56 0.04 -1.26 -4.87 135.00 127.11 2k5g s PRO 166 Ca 0.64 1.27 -0.35 0.00 0.04 0.00 0.00 61.00 62.59 2k5g s PRO 166 Cb -0.15 -1.85 -0.11 0.00 0.04 0.00 0.00 34.50 32.42 2k5g s PRO 166 CO 0.34 -1.89 2.19 -2.30 0.04 0.00 0.00 177.00 175.38 2k5g n PRO 167 N -3.69 1.09 0.02 0.56 -0.02 -1.26 -4.85 135.00 126.84 2k5g n PRO 167 Ca 0.10 0.29 -0.12 0.00 -2.02 0.00 0.00 63.50 61.75 2k5g n PRO 167 Cb 0.53 -2.48 -0.07 0.00 -0.02 0.00 0.00 33.50 31.46 2k5g n PRO 167 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2k5g h PHE 168 N 12.49 0.04 -0.60 6.00 3.57 -1.97 -0.86 116.94 135.61 2k5g h PHE 168 Ca -0.27 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.18 2k5g h PHE 168 Cb 1.32 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 40.02 2k5g h PHE 168 CO 0.96 0.14 0.21 -1.49 -2.23 0.00 0.00 178.31 175.89 2k5g h TRP 169 N -0.07 0.95 0.28 0.41 -0.00 -1.98 0.17 115.95 115.71 2k5g h TRP 169 Ca 0.01 -0.09 -0.01 0.00 -0.00 0.00 0.00 58.89 58.80 2k5g h TRP 169 Cb 0.11 -0.28 0.00 0.00 -0.00 0.00 0.00 29.16 29.00 2k5g h TRP 169 CO -0.04 0.78 -0.13 1.15 -0.00 0.00 0.00 178.44 180.20 2k5g h THR 170 N 0.85 0.74 -0.13 1.49 2.02 -1.92 0.15 112.91 116.10 2k5g h THR 170 Ca 0.20 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.30 2k5g h THR 170 Cb 0.26 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 2k5g h THR 170 CO -0.01 0.02 0.08 0.74 0.37 0.00 0.00 175.52 176.71 2k5g h THR 171 N -0.42 1.07 0.44 3.16 2.02 -1.02 -0.77 112.91 117.39 2k5g h THR 171 Ca -0.04 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 2k5g h THR 171 Cb 0.32 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2k5g h THR 171 CO 0.06 0.07 -0.21 0.25 0.37 0.00 0.00 175.52 176.06 2k5g h LEU 172 N 0.13 -0.50 -0.53 2.58 5.85 -0.59 -1.63 115.31 120.62 2k5g h LEU 172 Ca 0.05 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2k5g h LEU 172 Cb 0.04 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2k5g h LEU 172 CO -0.01 -0.30 0.27 0.00 -0.34 0.00 0.00 178.44 178.06 2k5g h ALA 173 N -0.12 0.68 0.03 1.25 0.00 -0.69 0.23 119.26 120.65 2k5g h ALA 173 Ca -0.06 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.75 2k5g h ALA 173 Cb 0.49 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2k5g h ALA 173 CO 0.10 0.22 -0.10 0.37 0.00 0.00 0.00 179.25 179.84 2k5g h GLN 174 N 0.71 -0.18 -0.08 0.00 4.15 -1.09 0.44 115.11 119.06 2k5g h GLN 174 Ca 0.18 0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.53 2k5g h GLN 174 Cb 0.09 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 2k5g h GLN 174 CO -0.03 -0.12 -0.34 0.00 -1.93 0.00 0.00 178.83 176.42 2k5g h ALA 175 N 0.76 1.29 -0.29 3.38 0.00 -1.06 0.83 119.26 124.18 2k5g h ALA 175 Ca 0.03 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2k5g h ALA 175 Cb 0.21 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2k5g h ALA 175 CO -0.07 0.50 0.11 0.93 0.00 0.00 0.00 179.25 180.71 2k5g h GLU 176 N 0.13 0.43 0.00 0.00 4.39 0.05 -1.09 114.58 118.49 2k5g h GLU 176 Ca 0.02 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 2k5g h GLU 176 Cb 0.67 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 2k5g h GLU 176 CO 0.05 0.47 -0.21 1.96 -1.16 0.00 0.00 179.01 180.12 2k5g h GLN 177 N 0.31 0.00 0.03 2.33 1.08 0.31 0.53 115.11 119.69 2k5g h GLN 177 Ca 0.09 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2k5g h GLN 177 Cb 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 2k5g h GLN 177 CO -0.01 0.21 -0.01 0.22 -0.95 0.00 0.00 178.83 178.29 2k5g h ASP 178 N 0.00 -0.03 0.18 1.46 3.58 -0.26 -0.08 116.42 121.26 2k5g h ASP 178 Ca -0.00 -0.27 -0.07 0.00 0.42 0.00 0.00 57.03 57.11 2k5g h ASP 178 Cb 0.41 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 2k5g h ASP 178 CO 0.03 0.26 -0.25 1.88 -2.88 0.00 0.00 179.24 178.27 2k5g h TYR 179 N -0.33 0.15 0.00 0.28 0.05 -0.89 -1.20 116.97 115.03 2k5g h TYR 179 Ca -0.00 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.75 2k5g h TYR 179 Cb 0.31 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.01 2k5g h TYR 179 CO 0.02 0.39 0.00 0.39 -1.05 0.00 0.00 178.16 177.91 2k5g n GLU 180 N -4.19 0.11 0.00 4.88 -0.58 0.15 -4.20 120.64 116.81 2k5g n GLU 180 Ca -0.01 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 2k5g n GLU 180 Cb 0.34 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 2k5g n GLU 180 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2k5g n GLN 181 N -1.44 0.00 -3.14 3.49 0.00 -0.06 -5.02 117.38 111.20 2k5g n GLN 181 Ca 0.08 0.00 -0.12 0.00 -0.00 0.00 0.00 57.00 56.96 2k5g n GLN 181 Cb 0.28 -0.24 0.01 0.00 0.00 0.00 0.00 30.24 30.30 2k5g n GLN 181 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2k5g n ARG 182 N -0.82 -1.61 -1.89 3.69 5.12 -0.99 -4.74 116.66 115.43 2k5g n ARG 182 Ca 0.00 1.51 -0.40 0.00 -1.93 0.00 0.00 57.85 57.03 2k5g n ARG 182 Cb 0.00 -2.70 -0.02 0.00 -1.16 0.00 0.00 32.46 28.58 2k5g n ARG 182 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2k5g n LEU 183 N 0.58 4.98 -3.70 0.55 7.94 -1.26 -4.81 117.00 121.29 2k5g n LEU 183 Ca -0.01 -3.61 -0.18 0.00 -1.11 0.00 0.00 56.01 51.11 2k5g n LEU 183 Cb 0.45 -1.57 -0.17 0.00 0.53 0.00 0.00 43.42 42.66 2k5g n LEU 183 CO 0.30 -0.05 -0.31 -0.76 -1.11 0.00 0.00 177.39 175.47 2k5g s LEU 184 N 4.17 0.33 -0.75 -1.96 1.43 -1.26 -5.10 118.68 115.53 2k5g s LEU 184 Ca 0.55 0.16 -0.27 0.00 -1.03 0.00 0.00 54.13 53.54 2k5g s LEU 184 Cb 0.09 0.03 0.03 0.00 0.03 0.00 0.00 46.19 46.36 2k5g s LEU 184 CO 0.05 -0.21 1.33 -0.70 0.23 0.00 0.00 176.35 177.05 2k5g s GLU 185 N 1.88 3.18 -0.68 1.70 2.12 -1.26 -4.95 118.70 120.68 2k5g s GLU 185 Ca 0.00 -0.25 -0.23 0.00 0.36 0.00 0.00 54.97 54.85 2k5g s GLU 185 Cb -0.12 -4.28 0.07 0.00 0.26 0.00 0.00 34.13 30.05 2k5g s GLU 185 CO -0.04 -2.20 1.02 -1.58 -0.54 0.00 0.00 175.26 171.93 2k5g s HIS 186 N 5.92 2.63 0.02 5.30 5.65 -1.26 -5.01 115.29 128.53 2k5g s HIS 186 Ca 0.38 -0.51 -0.25 0.00 0.25 0.00 0.00 55.06 54.93 2k5g s HIS 186 Cb -0.08 -4.35 -0.05 0.00 -1.18 0.00 0.00 32.58 26.93 2k5g s HIS 186 CO 0.13 -1.71 0.77 -1.58 -0.65 0.00 0.00 174.74 171.70 2k5g s HIS 187 N 4.28 3.70 0.30 3.88 2.46 -1.26 -5.05 115.29 123.59 2k5g s HIS 187 Ca 0.25 1.45 -0.07 0.00 0.47 0.00 0.00 55.06 57.16 2k5g s HIS 187 Cb -0.15 -2.84 -0.06 0.00 -0.13 0.00 0.00 32.58 29.40 2k5g s HIS 187 CO 0.10 0.21 0.59 -1.01 -2.47 0.00 0.00 174.74 172.17 2k5g s HIS 188 N 0.20 3.46 -0.37 3.88 3.76 -1.26 -5.07 115.29 119.89 2k5g s HIS 188 Ca 0.39 0.76 0.02 0.00 -0.15 0.00 0.00 55.06 56.08 2k5g s HIS 188 Cb -0.20 -2.20 0.15 0.00 1.11 0.00 0.00 32.58 31.44 2k5g s HIS 188 CO 0.22 0.14 0.28 -1.01 -0.85 0.00 0.00 174.74 173.53 2k5g s HIS 189 N -2.08 0.46 0.32 1.40 3.76 -1.26 -4.95 115.29 112.93 2k5g s HIS 189 Ca 0.46 -1.50 0.22 0.00 -0.15 0.00 0.00 55.06 54.09 2k5g s HIS 189 Cb -0.11 -0.75 1.06 0.00 1.11 0.00 0.00 32.58 33.90 2k5g s HIS 189 CO 0.28 -0.88 1.92 1.12 -0.85 0.00 0.00 174.74 176.34 2k5g h HIS 190 N 6.78 0.00 0.00 1.40 2.07 -2.07 -3.58 115.15 119.75 2k5g h HIS 190 Ca 0.09 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.61 2k5g h HIS 190 Cb 0.99 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.97 2k5g h HIS 190 CO 0.38 0.24 0.00 -2.39 -3.07 0.00 0.00 177.93 173.08