#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 4.56 -0.30 2.03 2.01 -1.26 -4.97 115.64 117.70 2k5g s THR 2 Ca 0.00 1.45 0.01 0.00 0.31 0.00 0.00 61.69 63.46 2k5g s THR 2 Cb 0.00 -4.36 0.14 0.00 0.01 0.00 0.00 72.50 68.29 2k5g s THR 2 CO 0.00 -0.50 0.33 -0.94 -0.69 0.00 0.00 174.62 172.82 2k5g s SER 3 N 1.77 1.31 -0.24 3.53 1.04 -1.26 -5.05 113.70 114.81 2k5g s SER 3 Ca 0.41 -0.76 -0.13 0.00 0.48 0.00 0.00 55.95 55.95 2k5g s SER 3 Cb -0.12 0.66 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 2k5g s SER 3 CO 0.17 -0.37 0.29 -2.16 0.98 0.00 0.00 173.24 172.15 2k5g s PRO 4 N 2.30 4.07 -1.00 4.02 0.04 -1.26 -4.98 135.00 138.19 2k5g s PRO 4 Ca 0.10 -0.06 -0.21 0.00 0.04 0.00 0.00 61.00 60.88 2k5g s PRO 4 Cb -0.14 -3.58 0.09 0.00 0.04 0.00 0.00 34.50 30.91 2k5g s PRO 4 CO -0.29 -0.09 1.33 -1.12 0.04 0.00 0.00 177.00 176.87 2k5g s SER 5 N 1.30 6.59 -0.05 6.66 0.01 -1.26 -3.70 113.70 123.24 2k5g s SER 5 Ca 0.13 -1.79 -0.07 0.00 1.31 0.00 0.00 55.95 55.52 2k5g s SER 5 Cb -0.15 -2.49 -0.02 0.00 0.21 0.00 0.00 66.02 63.57 2k5g s SER 5 CO 0.08 -1.28 -0.14 -1.20 0.41 0.00 0.00 173.24 171.10 2k5g n SER 6 N 7.78 1.00 -3.59 2.44 7.64 -1.22 -5.01 113.62 122.65 2k5g n SER 6 Ca 0.30 0.16 -0.13 0.00 1.01 0.00 0.00 58.87 60.21 2k5g n SER 6 Cb 0.50 -0.50 -0.05 0.00 -1.01 0.00 0.00 64.21 63.14 2k5g n SER 6 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k5g s ALA 7 N -2.64 -1.20 -0.45 -0.43 0.00 -1.26 -5.13 121.76 110.66 2k5g s ALA 7 Ca -0.12 0.40 -0.12 0.00 0.00 0.00 0.00 51.96 52.12 2k5g s ALA 7 Cb 0.02 0.47 0.08 0.00 0.00 0.00 0.00 23.12 23.69 2k5g s ALA 7 CO 0.17 -0.54 0.33 -0.06 0.00 0.00 0.00 175.76 175.66 2k5g s PHE 8 N -2.82 3.31 0.33 0.00 0.08 -1.26 -4.38 117.98 113.25 2k5g s PHE 8 Ca -0.03 -1.37 -0.26 0.00 0.12 0.00 0.00 56.93 55.38 2k5g s PHE 8 Cb -0.00 -3.14 -0.09 0.00 -0.57 0.00 0.00 43.02 39.21 2k5g s PHE 8 CO -0.05 -0.86 1.00 -2.14 -0.10 0.00 0.00 175.22 173.07 2k5g s PRO 9 N 1.49 4.50 0.00 0.24 0.02 -1.26 -5.08 135.00 134.91 2k5g s PRO 9 Ca 0.04 1.48 0.00 0.00 0.02 0.00 0.00 61.00 62.53 2k5g s PRO 9 Cb -0.24 -2.84 0.00 0.00 0.02 0.00 0.00 34.50 31.44 2k5g s PRO 9 CO 0.03 0.17 0.00 -3.47 -0.33 0.00 0.00 177.00 173.40 2k5g n ASP 10 N 0.57 0.00 -3.61 2.53 2.03 -1.26 -5.08 116.55 111.73 2k5g n ASP 10 Ca 0.02 -0.18 -0.01 0.00 0.52 0.00 0.00 54.79 55.14 2k5g n ASP 10 Cb 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 2k5g n ASP 10 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2k5g s GLY 11 N -1.25 -0.17 -0.01 0.27 0.00 -1.26 -4.79 107.32 100.10 2k5g s GLY 11 Ca 0.00 0.14 0.02 0.00 0.00 0.00 0.00 44.72 44.89 2k5g s GLY 11 CO 0.00 1.79 -0.08 0.30 0.00 0.00 0.00 173.10 175.11 2k5g s HIS 12 N -2.47 0.77 0.24 1.90 3.76 -1.26 -5.13 115.29 113.10 2k5g s HIS 12 Ca 0.19 -0.16 -0.30 0.00 -0.15 0.00 0.00 55.06 54.64 2k5g s HIS 12 Cb 0.00 -0.52 -0.09 0.00 1.11 0.00 0.00 32.58 33.08 2k5g s HIS 12 CO 0.01 -0.04 1.16 0.20 -0.85 0.00 0.00 174.74 175.21 2k5g s GLY 13 N -0.02 2.89 -0.34 -2.22 0.00 -1.26 -4.96 107.32 101.41 2k5g s GLY 13 Ca 0.01 0.95 -0.29 0.00 0.00 0.00 0.00 44.72 45.39 2k5g s GLY 13 CO -0.00 1.70 1.51 0.00 0.00 0.00 0.00 173.10 176.31 2k5g s ALA 14 N -0.65 3.11 0.73 3.20 0.00 -1.26 -5.00 121.76 121.89 2k5g s ALA 14 Ca 0.49 0.09 -0.04 0.00 0.00 0.00 0.00 51.96 52.50 2k5g s ALA 14 Cb -0.33 -3.91 0.11 0.00 0.00 0.00 0.00 23.12 18.99 2k5g s ALA 14 CO 0.40 -2.25 1.02 1.03 0.00 0.00 0.00 175.76 175.96 2k5g s ARG 15 N 4.90 1.75 3.36 0.00 0.52 -1.26 -4.92 118.95 123.31 2k5g s ARG 15 Ca 0.66 -0.77 0.00 0.00 -0.52 0.00 0.00 55.73 55.11 2k5g s ARG 15 Cb -0.18 -2.24 0.00 0.00 0.52 0.00 0.00 34.95 33.05 2k5g s ARG 15 CO 0.31 -1.45 0.00 1.28 0.02 0.00 0.00 175.30 175.46 2k5g n LEU 16 N -2.93 0.00 -4.10 2.53 4.77 -1.26 -4.92 117.00 111.08 2k5g n LEU 16 Ca 0.12 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.99 2k5g n LEU 16 Cb 0.60 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.62 2k5g n LEU 16 CO 0.45 -0.30 -0.01 1.51 -1.33 0.00 0.00 177.39 177.72 2k5g s ASP 17 N -4.00 0.19 0.08 -1.43 -4.77 -1.26 -5.18 116.67 100.30 2k5g s ASP 17 Ca 0.00 -1.22 -0.08 0.00 -3.30 0.00 0.00 52.55 47.96 2k5g s ASP 17 Cb 0.00 0.51 -0.01 0.00 -1.09 0.00 0.00 42.92 42.33 2k5g s ASP 17 CO 0.00 -1.03 0.16 0.00 0.70 0.00 0.00 175.17 175.00 2k5g s ALA 18 N -3.94 -0.13 -2.39 2.11 0.00 -1.26 -5.02 121.76 111.13 2k5g s ALA 18 Ca 0.31 -0.68 0.24 0.00 0.00 0.00 0.00 51.96 51.83 2k5g s ALA 18 Cb 0.03 0.44 0.83 0.00 0.00 0.00 0.00 23.12 24.42 2k5g s ALA 18 CO 0.12 -0.48 1.61 1.04 0.00 0.00 0.00 175.76 178.05 2k5g n GLN 19 N 0.01 1.76 -3.71 0.00 6.02 -1.26 -4.81 117.38 115.40 2k5g n GLN 19 Ca -0.15 -1.13 -0.15 0.00 -0.01 0.00 0.00 57.00 55.56 2k5g n GLN 19 Cb 0.62 -1.43 -0.06 0.00 1.02 0.00 0.00 30.24 30.39 2k5g n GLN 19 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2k5g n SER 20 N 0.36 -0.61 -4.64 1.08 7.64 -1.26 -4.47 113.62 111.71 2k5g n SER 20 Ca 0.17 -2.68 -0.37 0.00 1.01 0.00 0.00 58.87 56.99 2k5g n SER 20 Cb 0.36 1.39 -0.09 0.00 -1.01 0.00 0.00 64.21 64.85 2k5g n SER 20 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2k5g s ILE 21 N -3.02 5.29 -0.29 0.44 -1.09 -0.79 -4.93 121.20 116.81 2k5g s ILE 21 Ca 0.30 0.33 0.02 0.00 -2.23 0.00 0.00 60.65 59.07 2k5g s ILE 21 Cb 0.01 -3.58 0.08 0.00 -1.58 0.00 0.00 42.46 37.40 2k5g s ILE 21 CO 0.21 0.28 0.00 -0.60 -1.23 0.00 0.00 174.94 173.60 2k5g s ARG 22 N 1.40 1.49 -0.14 2.79 6.06 -1.25 -1.31 118.95 127.99 2k5g s ARG 22 Ca 0.11 -1.35 -0.04 0.00 -2.50 0.00 0.00 55.73 51.94 2k5g s ARG 22 Cb -0.15 -2.73 0.05 0.00 0.06 0.00 0.00 34.95 32.19 2k5g s ARG 22 CO 0.07 -0.78 0.08 -0.06 -2.50 0.00 0.00 175.30 172.11 2k5g s PHE 23 N 1.23 0.21 -0.21 5.12 0.08 -0.84 -4.95 117.98 118.63 2k5g s PHE 23 Ca 0.02 -0.21 -0.06 0.00 0.12 0.00 0.00 56.93 56.80 2k5g s PHE 23 Cb -0.19 -0.66 -0.03 0.00 -0.57 0.00 0.00 43.02 41.57 2k5g s PHE 23 CO -0.10 -0.44 0.03 -1.83 -0.10 0.00 0.00 175.22 172.77 2k5g s GLU 24 N 2.13 3.69 0.18 0.44 -1.05 -1.26 0.09 118.70 122.92 2k5g s GLU 24 Ca 0.03 -0.48 0.03 0.00 -0.15 0.00 0.00 54.97 54.40 2k5g s GLU 24 Cb -0.15 -3.15 -0.05 0.00 -0.44 0.00 0.00 34.13 30.34 2k5g s GLU 24 CO -0.08 0.02 -0.04 1.03 0.95 0.00 0.00 175.26 177.15 2k5g s ARG 25 N 1.00 1.14 -0.16 -4.83 0.52 0.11 -4.90 118.95 111.82 2k5g s ARG 25 Ca 0.02 -1.53 -0.03 0.00 -0.52 0.00 0.00 55.73 53.68 2k5g s ARG 25 Cb -0.14 -0.47 -0.02 0.00 0.52 0.00 0.00 34.95 34.83 2k5g s ARG 25 CO 0.02 -0.05 -0.06 -1.17 0.02 0.00 0.00 175.30 174.06 2k5g s LEU 26 N -3.20 3.06 0.12 2.53 1.98 -1.26 -0.12 118.68 121.79 2k5g s LEU 26 Ca 0.22 -0.21 0.10 0.00 -2.89 0.00 0.00 54.13 51.35 2k5g s LEU 26 Cb 0.05 -1.73 -0.04 0.00 0.66 0.00 0.00 46.19 45.13 2k5g s LEU 26 CO 0.03 0.15 -0.26 -0.76 -1.89 0.00 0.00 176.35 173.63 2k5g s LEU 27 N 0.49 2.30 0.37 -0.68 2.01 0.76 -4.82 118.68 119.10 2k5g s LEU 27 Ca -0.05 -0.72 -0.25 0.00 0.01 0.00 0.00 54.13 53.12 2k5g s LEU 27 Cb -0.15 -1.15 -0.09 0.00 0.01 0.00 0.00 46.19 44.81 2k5g s LEU 27 CO 0.03 0.16 1.05 -2.16 1.01 0.00 0.00 176.35 176.45 2k5g s PRO 28 N -1.94 4.30 0.00 1.29 0.04 -1.26 -1.03 135.00 136.41 2k5g s PRO 28 Ca 0.12 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.72 2k5g s PRO 28 Cb -0.10 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 31.74 2k5g s PRO 28 CO 0.05 -0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.47 2k5g n GLY 29 N 0.55 2.30 0.37 0.56 0.00 -1.23 -4.66 105.19 103.09 2k5g n GLY 29 Ca 0.03 -1.80 -0.18 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.87 0.00 1.61 0.13 -1.74 -1.85 132.00 129.28 2k5g h PRO 30 Ca 0.00 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2k5g h PRO 30 Cb 0.00 0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.33 2k5g h PRO 30 CO 0.00 -0.57 0.00 1.51 -0.23 0.00 0.00 178.00 178.71 2k5g n ILE 31 N -5.47 0.00 -0.17 -3.56 3.06 -1.26 -3.72 119.36 108.24 2k5g n ILE 31 Ca -0.13 0.00 -0.02 0.00 -2.50 0.00 0.00 62.75 60.10 2k5g n ILE 31 Cb 0.37 0.00 0.21 0.00 0.54 0.00 0.00 39.64 40.76 2k5g n ILE 31 CO 0.00 0.00 0.00 -0.08 -2.50 0.00 0.00 176.55 173.97 2k5g h GLU 32 N 0.00 0.91 -0.26 9.51 4.81 -1.91 -1.69 114.58 125.96 2k5g h GLU 32 Ca 0.00 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 2k5g h GLU 32 Cb 0.00 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 2k5g h GLU 32 CO 0.00 0.72 0.13 -0.09 -0.73 0.00 0.00 179.01 179.05 2k5g h ARG 33 N 0.91 0.36 -0.15 1.92 9.65 -1.93 -2.45 114.38 122.70 2k5g h ARG 33 Ca 0.22 -0.05 -0.08 0.00 -1.10 0.00 0.00 59.98 58.97 2k5g h ARG 33 Cb 0.12 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.62 2k5g h ARG 33 CO -0.03 0.34 -0.28 0.28 2.80 0.00 0.00 179.97 183.08 2k5g h VAL 34 N 0.29 1.26 -0.12 0.20 2.07 -1.77 -2.35 116.25 115.83 2k5g h VAL 34 Ca 0.09 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.40 2k5g h VAL 34 Cb 0.09 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2k5g h VAL 34 CO -0.01 0.37 0.08 -0.25 0.02 0.00 0.00 177.57 177.78 2k5g h TRP 35 N 0.25 0.13 -0.84 1.57 2.91 -0.85 -2.69 115.95 116.43 2k5g h TRP 35 Ca 0.04 0.00 0.16 0.00 1.13 0.00 0.00 58.89 60.22 2k5g h TRP 35 Cb 0.63 -0.05 -0.10 0.00 -0.51 0.00 0.00 29.16 29.13 2k5g h TRP 35 CO 0.01 0.08 0.39 0.00 -1.03 0.00 0.00 178.44 177.90 2k5g h ALA 36 N 1.93 1.26 0.00 2.65 0.00 -1.07 0.29 119.26 124.32 2k5g h ALA 36 Ca 0.05 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2k5g h ALA 36 Cb 0.02 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2k5g h ALA 36 CO -0.01 -0.18 -0.33 -1.49 0.00 0.00 0.00 179.25 177.24 2k5g h TRP 37 N 0.52 0.00 0.04 0.00 6.55 -1.64 0.14 115.95 121.56 2k5g h TRP 37 Ca 0.47 0.00 -0.24 0.00 0.95 0.00 0.00 58.89 60.07 2k5g h TRP 37 Cb 0.74 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.05 2k5g h TRP 37 CO -0.12 0.33 -1.02 -0.07 -1.05 0.00 0.00 178.44 176.50 2k5g h LEU 38 N 0.00 0.50 0.00 -4.49 3.38 -0.61 -3.38 115.31 110.71 2k5g h LEU 38 Ca -0.00 -0.43 -0.18 0.00 0.09 0.00 0.00 57.88 57.35 2k5g h LEU 38 Cb 0.65 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 2k5g h LEU 38 CO 0.04 1.26 -1.01 0.00 0.09 0.00 0.00 178.44 178.83 2k5g h ALA 39 N 0.70 0.21 -2.29 1.53 0.00 -0.68 -3.46 119.26 115.26 2k5g h ALA 39 Ca -0.10 -1.05 -0.54 0.00 0.00 0.00 0.00 54.91 53.22 2k5g h ALA 39 Cb 1.68 0.60 0.00 0.00 0.00 0.00 0.00 17.79 20.08 2k5g h ALA 39 CO 0.17 0.57 1.14 0.34 0.00 0.00 0.00 179.25 181.47 2k5g s ASP 40 N -6.68 6.59 0.44 0.00 2.15 0.47 -4.73 116.67 114.91 2k5g s ASP 40 Ca -0.26 2.37 0.24 0.00 0.43 0.00 0.00 52.55 55.33 2k5g s ASP 40 Cb 0.04 -2.53 0.57 0.00 -0.30 0.00 0.00 42.92 40.70 2k5g s ASP 40 CO 0.58 -0.97 1.68 0.00 -0.17 0.00 0.00 175.17 176.29 2k5g h ALA 41 N 9.90 0.95 0.36 3.66 0.00 -1.88 -2.55 119.26 129.69 2k5g h ALA 41 Ca -0.43 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 2k5g h ALA 41 Cb 1.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2k5g h ALA 41 CO 0.95 0.14 -0.17 0.22 0.00 0.00 0.00 179.25 180.39 2k5g h ASP 42 N 0.00 -0.41 0.77 0.00 3.58 -1.93 -2.89 116.42 115.54 2k5g h ASP 42 Ca -0.00 -0.14 -0.14 0.00 0.42 0.00 0.00 57.03 57.17 2k5g h ASP 42 Cb 0.94 0.11 -0.02 0.00 1.72 0.00 0.00 39.33 42.07 2k5g h ASP 42 CO 0.01 0.02 -0.66 0.07 -2.88 0.00 0.00 179.24 175.80 2k5g h LYS 43 N -0.95 0.00 0.00 0.28 2.10 -1.94 -3.08 116.57 112.98 2k5g h LYS 43 Ca -0.05 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.57 2k5g h LYS 43 Cb 0.53 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.85 2k5g h LYS 43 CO 0.08 0.66 -0.16 -0.09 -2.00 0.00 0.00 179.45 177.94 2k5g h ARG 44 N 0.00 0.00 0.00 0.07 2.43 -1.49 0.10 114.38 115.49 2k5g h ARG 44 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2k5g h ARG 44 Cb 1.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 2k5g h ARG 44 CO 0.09 0.16 0.00 0.00 -1.51 0.00 0.00 179.97 178.70 2k5g n ALA 45 N -2.31 2.11 0.38 2.80 0.00 -1.09 0.47 120.51 122.87 2k5g n ALA 45 Ca -0.02 -0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.36 2k5g n ALA 45 Cb 0.27 -1.31 0.02 0.00 0.00 0.00 0.00 19.45 18.42 2k5g n ALA 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k5g n ARG 46 N -1.16 1.34 0.00 0.00 1.74 0.36 -4.61 116.66 114.32 2k5g n ARG 46 Ca 0.12 -0.76 0.00 0.00 -0.77 0.00 0.00 57.85 56.43 2k5g n ARG 46 Cb 0.11 -1.09 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 2k5g n ARG 46 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 2k5g n TRP 47 N 0.06 0.00 0.00 -1.55 4.27 -0.93 -4.89 117.44 114.40 2k5g n TRP 47 Ca 0.04 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.65 2k5g n TRP 47 Cb 0.20 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.15 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 -0.24 0.00 -3.57 5.67 -0.00 0.18 -4.81 117.00 114.23 2k5g n LEU 48 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.89 2k5g n LEU 48 Cb 0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.40 2k5g n LEU 48 CO 0.00 0.00 0.69 0.00 -0.00 0.00 0.00 177.39 178.08 2k5g s ALA 49 N -1.28 -1.90 -0.04 1.96 0.00 0.89 -3.55 121.76 117.85 2k5g s ALA 49 Ca 0.00 1.56 -0.16 0.00 0.00 0.00 0.00 51.96 53.36 2k5g s ALA 49 Cb 0.00 -0.62 -0.05 0.00 0.00 0.00 0.00 23.12 22.45 2k5g s ALA 49 CO 0.00 -0.32 0.44 0.20 0.00 0.00 0.00 175.76 176.08 2k5g s GLY 50 N -1.01 2.46 0.00 0.00 0.00 -1.26 -3.61 107.32 103.91 2k5g s GLY 50 Ca -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.49 2k5g s GLY 50 CO 0.03 0.38 0.00 0.61 0.00 0.00 0.00 173.10 174.12 2k5g n GLY 51 N 2.33 0.44 3.58 0.20 0.00 -1.26 -2.47 105.19 108.01 2k5g n GLY 51 Ca -0.11 0.61 -0.29 0.00 0.00 0.00 0.00 46.02 46.23 2k5g n GLY 51 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k5g s GLU 52 N 0.00 -0.49 0.12 1.61 -1.05 -1.26 -4.81 118.70 112.81 2k5g s GLU 52 Ca 0.00 0.51 -0.13 0.00 -0.15 0.00 0.00 54.97 55.21 2k5g s GLU 52 Cb 0.00 -1.63 -0.06 0.00 -0.44 0.00 0.00 34.13 32.00 2k5g s GLU 52 CO 0.00 -3.35 0.49 -0.51 0.95 0.00 0.00 175.26 172.84 2k5g s LEU 53 N -6.88 4.35 0.00 1.83 1.43 -1.26 -4.82 118.68 113.33 2k5g s LEU 53 Ca 0.67 0.97 0.00 0.00 -1.03 0.00 0.00 54.13 54.75 2k5g s LEU 53 Cb -0.20 -3.14 0.00 0.00 0.03 0.00 0.00 46.19 42.88 2k5g s LEU 53 CO 0.60 0.14 0.00 -2.65 0.23 0.00 0.00 176.35 174.67 2k5g n PRO 54 N 0.88 0.43 -0.09 1.29 -0.02 -1.26 -5.05 135.00 131.17 2k5g n PRO 54 Ca -0.07 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.30 2k5g n PRO 54 Cb 0.52 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.89 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 -0.50 0.86 -4.43 -0.52 5.12 -1.26 -5.00 116.66 110.94 2k5g n ARG 55 Ca 0.00 0.07 -0.33 0.00 -1.93 0.00 0.00 57.85 55.66 2k5g n ARG 55 Cb 0.00 -1.41 -0.10 0.00 -1.16 0.00 0.00 32.46 29.79 2k5g n ARG 55 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2k5g s GLN 56 N -2.40 2.70 -0.08 5.56 -0.21 -1.26 -5.08 119.66 118.89 2k5g s GLN 56 Ca -0.20 -0.62 -0.30 0.00 0.02 0.00 0.00 55.36 54.26 2k5g s GLN 56 Cb 0.06 -2.60 -0.05 0.00 1.00 0.00 0.00 33.01 31.43 2k5g s GLN 56 CO 0.55 0.63 1.59 -2.14 -2.12 0.00 0.00 175.29 173.80 2k5g s PRO 57 N -1.29 4.17 0.00 2.91 0.02 -1.26 -2.37 135.00 137.17 2k5g s PRO 57 Ca 0.17 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.26 2k5g s PRO 57 Cb -0.11 -3.95 0.00 0.00 0.02 0.00 0.00 34.50 30.46 2k5g s PRO 57 CO 0.07 -0.85 0.00 0.41 -0.33 0.00 0.00 177.00 176.30 2k5g n GLY 58 N 4.07 1.18 3.86 0.52 0.00 -0.05 -5.00 105.19 109.77 2k5g n GLY 58 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.43 1.72 -0.08 1.61 -0.21 -1.00 -4.81 119.66 116.47 2k5g s GLN 59 Ca 0.00 0.20 0.03 0.00 0.02 0.00 0.00 55.36 55.61 2k5g s GLN 59 Cb 0.00 -1.91 -0.02 0.00 1.00 0.00 0.00 33.01 32.08 2k5g s GLN 59 CO 0.00 -1.78 -0.15 0.95 -2.12 0.00 0.00 175.29 172.19 2k5g s THR 60 N -3.46 2.96 0.28 -0.19 -4.23 -1.26 -2.21 115.64 107.54 2k5g s THR 60 Ca 0.62 -0.74 0.09 0.00 -1.18 0.00 0.00 61.69 60.49 2k5g s THR 60 Cb -0.12 -2.18 -0.04 0.00 1.34 0.00 0.00 72.50 71.49 2k5g s THR 60 CO 0.51 0.57 0.03 0.72 -0.54 0.00 0.00 174.62 175.90 2k5g s PHE 61 N -0.32 2.70 -0.24 3.99 -0.71 0.49 -4.85 117.98 119.03 2k5g s PHE 61 Ca 0.03 -0.26 -0.03 0.00 -1.04 0.00 0.00 56.93 55.62 2k5g s PHE 61 Cb -0.13 -1.30 0.01 0.00 -1.21 0.00 0.00 43.02 40.40 2k5g s PHE 61 CO 0.02 0.56 -0.04 -1.21 -1.34 0.00 0.00 175.22 173.22 2k5g s GLU 62 N -3.71 3.06 0.44 1.99 2.02 -1.26 0.23 118.70 121.46 2k5g s GLU 62 Ca 0.33 -0.84 0.04 0.00 0.02 0.00 0.00 54.97 54.53 2k5g s GLU 62 Cb -0.05 -3.04 -0.05 0.00 0.10 0.00 0.00 34.13 31.08 2k5g s GLU 62 CO 0.20 -0.33 0.02 -0.48 0.02 0.00 0.00 175.26 174.69 2k5g s LEU 63 N 1.40 2.56 -0.17 1.80 2.34 -0.75 -4.71 118.68 121.15 2k5g s LEU 63 Ca 0.03 -1.49 0.00 0.00 0.06 0.00 0.00 54.13 52.73 2k5g s LEU 63 Cb -0.16 -0.75 0.01 0.00 -0.56 0.00 0.00 46.19 44.74 2k5g s LEU 63 CO -0.03 -0.63 -0.17 -1.00 -1.06 0.00 0.00 176.35 173.46 2k5g s HIS 64 N -2.85 2.79 -0.87 3.48 3.76 -1.03 -1.21 115.29 119.34 2k5g s HIS 64 Ca 0.25 -1.33 -0.25 0.00 -0.15 0.00 0.00 55.06 53.58 2k5g s HIS 64 Cb 0.07 -1.92 0.02 0.00 1.11 0.00 0.00 32.58 31.86 2k5g s HIS 64 CO 0.12 -0.65 1.51 -0.06 -0.85 0.00 0.00 174.74 174.81 2k5g s PHE 65 N 1.11 2.26 0.00 1.40 0.08 0.13 -4.15 117.98 118.82 2k5g s PHE 65 Ca 0.00 -0.22 0.00 0.00 0.12 0.00 0.00 56.93 56.83 2k5g s PHE 65 Cb -0.14 -4.53 0.00 0.00 -0.57 0.00 0.00 43.02 37.78 2k5g s PHE 65 CO -0.06 -1.99 0.00 0.27 -0.10 0.00 0.00 175.22 173.33 2k5g n ASN 66 N 10.14 -0.46 -4.51 1.36 6.94 -1.26 -0.86 115.26 126.61 2k5g n ASN 66 Ca 0.23 -0.33 -0.44 0.00 -0.02 0.00 0.00 54.58 54.02 2k5g n ASN 66 Cb 0.50 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.86 2k5g n ASN 66 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 2k5g n HIS 67 N -1.53 1.47 -1.37 -2.53 8.25 -1.26 -0.04 115.22 118.19 2k5g n HIS 67 Ca 0.00 0.18 -0.13 0.00 -0.26 0.00 0.00 57.72 57.51 2k5g n HIS 67 Cb 0.00 -2.58 -0.06 0.00 1.12 0.00 0.00 29.99 28.48 2k5g n HIS 67 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2k5g n ALA 68 N 12.06 -0.20 -2.57 -1.41 0.00 0.13 -1.19 120.51 127.33 2k5g n ALA 68 Ca 0.42 0.21 -0.17 0.00 0.00 0.00 0.00 53.44 53.90 2k5g n ALA 68 Cb 0.33 -1.83 -0.00 0.00 0.00 0.00 0.00 19.45 17.95 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 1.24 -0.78 -0.35 0.00 0.00 0.94 -4.65 120.51 116.91 2k5g n ALA 69 Ca -0.13 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2k5g n ALA 69 Cb 0.61 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 18.00 2k5g n ALA 69 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k5g n LEU 70 N -3.07 0.00 -3.56 0.00 0.00 -0.52 -4.37 117.00 105.48 2k5g n LEU 70 Ca -0.16 0.00 -0.12 0.00 0.00 0.00 0.00 56.01 55.73 2k5g n LEU 70 Cb 0.63 0.23 -0.05 0.00 0.00 0.00 0.00 43.42 44.23 2k5g n LEU 70 CO 0.27 -0.32 0.70 0.28 0.00 0.00 0.00 177.39 178.31 2k5g s THR 71 N -0.65 0.00 0.10 1.96 -1.32 -0.34 -4.58 115.64 110.82 2k5g s THR 71 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 2k5g s THR 71 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 2k5g s THR 71 CO 0.00 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.41 2k5g n ALA 72 N 0.74 3.00 0.00 11.08 0.00 -1.25 -4.67 120.51 129.41 2k5g n ALA 72 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2k5g n ALA 72 Cb 0.58 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 -2.88 0.00 -4.03 0.00 1.02 -1.26 -4.60 120.64 108.89 2k5g n GLU 73 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.94 2k5g n GLU 73 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 31.44 31.25 2k5g n GLU 73 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2k5g s THR 74 N 0.00 0.42 0.27 2.62 2.01 -1.26 -5.16 115.64 114.54 2k5g s THR 74 Ca 0.00 -0.03 0.11 0.00 0.31 0.00 0.00 61.69 62.08 2k5g s THR 74 Cb 0.00 -0.49 -0.05 0.00 0.01 0.00 0.00 72.50 71.97 2k5g s THR 74 CO 0.00 0.21 -0.18 0.00 -0.69 0.00 0.00 174.62 173.97 2k5g s ALA 75 N 1.13 2.58 -2.00 7.40 0.00 -1.26 -5.00 121.76 124.61 2k5g s ALA 75 Ca -0.08 -1.84 0.05 0.00 0.00 0.00 0.00 51.96 50.09 2k5g s ALA 75 Cb -0.14 -0.19 0.30 0.00 0.00 0.00 0.00 23.12 23.09 2k5g s ALA 75 CO -0.01 0.21 0.70 -0.35 0.00 0.00 0.00 175.76 176.30 2k5g n PRO 76 N -0.57 0.37 -0.75 0.00 -0.04 -1.26 -4.81 135.00 127.94 2k5g n PRO 76 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2k5g n PRO 76 Cb 0.60 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.85 2k5g n PRO 76 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k5g n ALA 77 N -0.71 0.00 0.74 0.55 0.00 -1.26 -4.78 120.51 115.04 2k5g n ALA 77 Ca 0.04 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.54 2k5g n ALA 77 Cb 0.02 -0.56 0.17 0.00 0.00 0.00 0.00 19.45 19.08 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 -1.91 1.92 0.00 0.00 1.85 -1.26 -4.44 116.66 112.82 2k5g n ARG 78 Ca 0.00 -1.42 0.00 0.00 -1.00 0.00 0.00 57.85 55.43 2k5g n ARG 78 Cb 0.02 -1.31 0.00 0.00 -1.05 0.00 0.00 32.46 30.12 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 0.65 0.00 0.00 2.89 4.01 -1.26 -4.98 117.16 118.47 2k5g n TYR 79 Ca 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 2k5g n TYR 79 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 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 -2.12 0.00 0.00 -0.72 0.00 -1.26 -3.71 120.51 112.70 2k5g n ALA 80 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2k5g n ALA 80 Cb 0.00 0.00 0.36 0.00 0.00 0.00 0.00 19.45 19.81 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 0.53 -0.52 0.00 5.75 -1.96 -1.50 115.11 117.40 2k5g h GLN 81 Ca 0.00 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.43 2k5g h GLN 81 Cb 0.00 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.45 2k5g h GLN 81 CO 0.00 0.45 0.00 0.98 -2.65 0.00 0.00 178.83 177.61 2k5g n TYR 82 N -4.38 0.69 -0.84 3.99 9.36 -1.24 -3.49 117.16 121.25 2k5g n TYR 82 Ca 0.02 -0.29 0.08 0.00 3.32 0.00 0.00 57.90 61.03 2k5g n TYR 82 Cb 0.15 -0.11 0.17 0.00 -0.63 0.00 0.00 39.34 38.92 2k5g n TYR 82 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 2k5g n ASP 83 N 0.50 2.97 -4.13 2.98 2.03 -0.57 0.19 116.55 120.52 2k5g n ASP 83 Ca 0.13 -2.84 -0.20 0.00 0.52 0.00 0.00 54.79 52.40 2k5g n ASP 83 Cb 0.46 -0.41 -0.13 0.00 -0.72 0.00 0.00 41.12 40.31 2k5g n ASP 83 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k5g s ARG 84 N -2.48 0.93 -0.65 -0.67 1.70 -1.23 -4.68 118.95 111.87 2k5g s ARG 84 Ca 0.32 -0.71 -0.27 0.00 -0.47 0.00 0.00 55.73 54.59 2k5g s ARG 84 Cb 0.26 -0.93 0.00 0.00 -0.57 0.00 0.00 34.95 33.71 2k5g s ARG 84 CO 0.06 0.23 1.56 -1.25 -1.08 0.00 0.00 175.30 174.82 2k5g s PRO 85 N -1.03 2.97 -0.27 3.89 0.04 -1.24 -4.51 135.00 134.85 2k5g s PRO 85 Ca 0.02 0.27 -0.13 0.00 0.04 0.00 0.00 61.00 61.19 2k5g s PRO 85 Cb -0.07 -4.26 -0.04 0.00 0.04 0.00 0.00 34.50 30.16 2k5g s PRO 85 CO 0.01 -2.36 0.29 0.42 0.04 0.00 0.00 177.00 175.40 2k5g s ILE 86 N 7.23 5.24 0.15 0.56 1.01 -0.04 -4.80 121.20 130.55 2k5g s ILE 86 Ca 0.52 0.39 -0.26 0.00 0.00 0.00 0.00 60.65 61.30 2k5g s ILE 86 Cb -0.11 -3.62 -0.07 0.00 0.01 0.00 0.00 42.46 38.67 2k5g s ILE 86 CO 0.19 0.21 0.81 0.54 0.00 0.00 0.00 174.94 176.70 2k5g s VAL 87 N 1.87 4.40 -0.01 2.92 0.11 -1.26 0.22 120.40 128.64 2k5g s VAL 87 Ca 0.12 1.78 -0.20 0.00 -2.93 0.00 0.00 61.98 60.75 2k5g s VAL 87 Cb -0.16 -4.18 0.04 0.00 -1.53 0.00 0.00 36.38 30.55 2k5g s VAL 87 CO 0.10 0.47 0.43 0.00 -3.33 0.00 0.00 175.10 172.78 2k5g s ALA 88 N -0.86 -1.10 0.06 1.54 0.00 -0.35 -4.96 121.76 116.08 2k5g s ALA 88 Ca 0.38 0.61 -0.17 0.00 0.00 0.00 0.00 51.96 52.78 2k5g s ALA 88 Cb -0.23 0.10 -0.06 0.00 0.00 0.00 0.00 23.12 22.93 2k5g s ALA 88 CO 0.27 -0.32 0.51 -0.98 0.00 0.00 0.00 175.76 175.23 2k5g s ARG 89 N -1.48 4.07 0.01 0.00 1.70 -1.26 -1.81 118.95 120.18 2k5g s ARG 89 Ca -0.11 0.59 0.01 0.00 -0.47 0.00 0.00 55.73 55.74 2k5g s ARG 89 Cb -0.03 -3.19 -0.01 0.00 -0.57 0.00 0.00 34.95 31.15 2k5g s ARG 89 CO 0.05 0.64 -0.03 -1.01 -1.08 0.00 0.00 175.30 173.86 2k5g s HIS 90 N -1.14 0.28 0.06 5.89 3.76 0.14 -4.93 115.29 119.34 2k5g s HIS 90 Ca 0.28 -0.28 -0.25 0.00 -0.15 0.00 0.00 55.06 54.66 2k5g s HIS 90 Cb -0.18 -0.18 -0.06 0.00 1.11 0.00 0.00 32.58 33.27 2k5g s HIS 90 CO 0.17 -0.08 0.79 0.99 -0.85 0.00 0.00 174.74 175.76 2k5g s THR 91 N -0.74 4.70 -0.09 1.30 2.01 -1.26 -0.38 115.64 121.17 2k5g s THR 91 Ca -0.07 1.68 -0.10 0.00 0.31 0.00 0.00 61.69 63.51 2k5g s THR 91 Cb -0.05 -4.14 -0.05 0.00 0.01 0.00 0.00 72.50 68.27 2k5g s THR 91 CO -0.00 0.36 0.24 -1.48 -0.69 0.00 0.00 174.62 173.05 2k5g s LEU 92 N -0.09 4.39 0.00 4.42 2.34 -0.94 -2.10 118.68 126.71 2k5g s LEU 92 Ca 0.39 0.62 0.00 0.00 0.06 0.00 0.00 54.13 55.20 2k5g s LEU 92 Cb -0.21 -2.27 0.00 0.00 -0.56 0.00 0.00 46.19 43.16 2k5g s LEU 92 CO 0.24 0.34 0.00 -0.11 -1.06 0.00 0.00 176.35 175.76 2k5g n LEU 93 N 2.16 0.06 -4.13 1.48 0.00 0.82 -0.87 117.00 116.52 2k5g n LEU 93 Ca -0.17 0.27 -0.15 0.00 0.00 0.00 0.00 56.01 55.96 2k5g n LEU 93 Cb 0.54 -0.48 -0.11 0.00 0.00 0.00 0.00 43.42 43.36 2k5g n LEU 93 CO 0.34 -0.48 -0.42 0.00 0.00 0.00 0.00 177.39 176.83 2k5g s ARG 94 N -0.96 0.72 -0.33 1.96 1.70 -1.11 -4.11 118.95 116.81 2k5g s ARG 94 Ca 0.00 -0.95 0.00 0.00 -0.47 0.00 0.00 55.73 54.31 2k5g s ARG 94 Cb 0.00 -0.53 0.14 0.00 -0.57 0.00 0.00 34.95 33.99 2k5g s ARG 94 CO 0.00 0.10 0.27 0.00 -1.08 0.00 0.00 175.30 174.59 2k5g s GLU 96 N 1.66 2.36 0.22 0.00 2.02 0.48 -5.00 118.70 120.44 2k5g s GLU 96 Ca 0.14 -2.79 -0.19 0.00 0.02 0.00 0.00 54.97 52.15 2k5g s GLU 96 Cb -0.17 -3.52 -0.08 0.00 0.10 0.00 0.00 34.13 30.45 2k5g s GLU 96 CO -0.15 -1.17 0.70 -1.25 0.02 0.00 0.00 175.26 173.41 2k5g s PRO 97 N -0.53 4.21 -0.50 0.39 0.04 -1.26 -1.49 135.00 135.86 2k5g s PRO 97 Ca 0.19 0.81 -0.16 0.00 0.04 0.00 0.00 61.00 61.89 2k5g s PRO 97 Cb -0.19 -2.87 0.09 0.00 0.04 0.00 0.00 34.50 31.57 2k5g s PRO 97 CO -0.05 0.40 0.44 -1.25 0.04 0.00 0.00 177.00 176.57 2k5g s PRO 98 N -2.01 2.98 0.00 0.56 0.04 -1.26 -5.01 135.00 130.30 2k5g s PRO 98 Ca 0.43 -1.47 0.00 0.00 0.04 0.00 0.00 61.00 60.00 2k5g s PRO 98 Cb -0.16 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.19 2k5g s PRO 98 CO 0.21 -1.14 0.00 0.54 0.04 0.00 0.00 177.00 176.65 2k5g n ARG 99 N 5.24 0.00 -4.30 4.56 5.12 -0.56 -4.82 116.66 121.90 2k5g n ARG 99 Ca -0.13 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.60 2k5g n ARG 99 Cb 0.42 0.00 -0.15 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 -0.88 0.65 0.03 1.55 1.01 -0.89 -0.65 120.40 121.23 2k5g s VAL 100 Ca 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.72 2k5g s VAL 100 Cb 0.00 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 2k5g s VAL 100 CO 0.00 0.22 -0.07 -1.48 0.00 0.00 0.00 175.10 173.77 2k5g s LEU 101 N 0.30 2.21 -0.02 3.92 0.05 -0.35 -0.39 118.68 124.40 2k5g s LEU 101 Ca -0.04 -0.46 -0.03 0.00 0.05 0.00 0.00 54.13 53.65 2k5g s LEU 101 Cb -0.09 -0.17 0.00 0.00 -2.05 0.00 0.00 46.19 43.89 2k5g s LEU 101 CO 0.00 -0.16 0.07 0.00 -0.55 0.00 0.00 176.35 175.72 2k5g s ALA 102 N -1.13 -0.17 0.31 1.48 0.00 0.16 -0.18 121.76 122.23 2k5g s ALA 102 Ca -0.08 0.06 0.02 0.00 0.00 0.00 0.00 51.96 51.96 2k5g s ALA 102 Cb -0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 2k5g s ALA 102 CO 0.00 -0.08 0.33 -0.48 0.00 0.00 0.00 175.76 175.53 2k5g s LEU 103 N -0.39 1.35 -0.01 0.00 2.34 -0.32 -0.12 118.68 121.52 2k5g s LEU 103 Ca -0.05 -1.58 0.03 0.00 0.06 0.00 0.00 54.13 52.60 2k5g s LEU 103 Cb -0.03 0.88 -0.03 0.00 -0.56 0.00 0.00 46.19 46.44 2k5g s LEU 103 CO 0.00 -1.11 -0.10 0.28 -1.06 0.00 0.00 176.35 174.37 2k5g s THR 104 N -3.46 3.44 0.16 5.48 -1.32 -0.89 0.79 115.64 119.84 2k5g s THR 104 Ca 0.36 -0.78 0.01 0.00 -1.21 0.00 0.00 61.69 60.08 2k5g s THR 104 Cb 0.02 -2.45 0.03 0.00 -1.51 0.00 0.00 72.50 68.59 2k5g s THR 104 CO 0.22 0.45 0.22 1.87 -2.21 0.00 0.00 174.62 175.17 2k5g n TRP 105 N 1.79 -3.00 -1.92 9.09 -0.00 0.24 -4.63 117.44 119.01 2k5g n TRP 105 Ca -0.16 -0.49 -0.42 0.00 -0.00 0.00 0.00 57.50 56.43 2k5g n TRP 105 Cb 0.52 -0.15 -0.03 0.00 -0.00 0.00 0.00 31.31 31.65 2k5g n TRP 105 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 177.69 177.89 2k5g s GLY 106 N -2.81 1.39 -1.32 5.87 0.00 -1.26 -4.49 107.32 104.72 2k5g s GLY 106 Ca 0.15 0.94 -0.09 0.00 0.00 0.00 0.00 44.72 45.73 2k5g s GLY 106 CO 0.10 3.19 2.03 0.61 0.00 0.00 0.00 173.10 179.03 2k5g n GLY 107 N 4.43 4.79 0.11 0.20 0.00 -1.26 -4.63 105.19 108.83 2k5g n GLY 107 Ca 0.19 -2.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.06 2k5g n GLY 107 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k5g h GLY 108 N 7.70 0.27 -0.93 -0.02 0.00 -1.94 -3.46 103.07 104.70 2k5g h GLY 108 Ca 0.47 -0.59 -0.48 0.00 0.00 0.00 0.00 47.33 46.73 2k5g h GLY 108 CO 1.64 0.52 0.40 0.00 0.00 0.00 0.00 176.54 179.09 2k5g s ALA 109 N -2.93 2.68 1.09 3.60 0.00 -1.26 -4.83 121.76 120.11 2k5g s ALA 109 Ca -0.03 -0.39 -0.12 0.00 0.00 0.00 0.00 51.96 51.41 2k5g s ALA 109 Cb 0.09 -3.03 0.24 0.00 0.00 0.00 0.00 23.12 20.42 2k5g s ALA 109 CO 0.86 -1.41 1.06 0.20 0.00 0.00 0.00 175.76 176.47 2k5g s GLY 110 N -4.31 1.58 0.00 0.00 0.00 -0.05 -4.81 107.32 99.73 2k5g s GLY 110 Ca 0.60 0.05 0.00 0.00 0.00 0.00 0.00 44.72 45.37 2k5g s GLY 110 CO 0.52 0.68 0.00 1.18 0.00 0.00 0.00 173.10 175.48 2k5g n GLU 111 N -4.69 0.00 -2.46 2.90 -0.58 -1.26 -4.85 120.64 109.69 2k5g n GLU 111 Ca 0.05 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.42 2k5g n GLU 111 Cb 0.54 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.38 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 -1.55 3.09 0.23 0.62 0.00 -1.26 -4.97 121.76 117.92 2k5g s ALA 112 Ca 0.00 0.78 -0.32 0.00 0.00 0.00 0.00 51.96 52.43 2k5g s ALA 112 Cb 0.00 -3.31 -0.13 0.00 0.00 0.00 0.00 23.12 19.68 2k5g s ALA 112 CO 0.00 -0.32 1.45 -2.30 0.00 0.00 0.00 175.76 174.59 2k5g n PRO 113 N -0.05 2.10 -1.68 0.00 -0.02 -1.26 -4.96 135.00 129.13 2k5g n PRO 113 Ca 0.05 0.75 -0.32 0.00 -2.02 0.00 0.00 63.50 61.96 2k5g n PRO 113 Cb 0.49 -2.44 0.05 0.00 -0.02 0.00 0.00 33.50 31.58 2k5g n PRO 113 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2k5g s SER 114 N 0.42 5.14 0.30 2.55 1.04 -1.26 -4.63 113.70 117.25 2k5g s SER 114 Ca 0.70 1.87 0.08 0.00 0.48 0.00 0.00 55.95 59.08 2k5g s SER 114 Cb -0.65 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 62.91 2k5g s SER 114 CO 0.47 -1.61 0.19 -1.83 0.98 0.00 0.00 173.24 171.45 2k5g s GLU 115 N -4.39 2.69 -0.14 4.02 -1.05 0.01 0.81 118.70 120.65 2k5g s GLU 115 Ca 0.64 -1.26 0.00 0.00 -0.15 0.00 0.00 54.97 54.20 2k5g s GLU 115 Cb -0.18 -2.42 0.02 0.00 -0.44 0.00 0.00 34.13 31.11 2k5g s GLU 115 CO 0.45 0.24 -0.13 0.08 0.95 0.00 0.00 175.26 176.86 2k5g s VAL 116 N -2.26 1.44 -0.27 1.83 1.01 0.24 0.09 120.40 122.47 2k5g s VAL 116 Ca 0.36 -0.55 -0.10 0.00 0.00 0.00 0.00 61.98 61.70 2k5g s VAL 116 Cb -0.06 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 2k5g s VAL 116 CO 0.24 0.43 0.14 -0.76 0.00 0.00 0.00 175.10 175.16 2k5g s LEU 117 N 1.54 3.83 -0.30 3.92 2.01 0.12 -1.18 118.68 128.62 2k5g s LEU 117 Ca 0.05 -0.16 -0.11 0.00 0.01 0.00 0.00 54.13 53.92 2k5g s LEU 117 Cb -0.13 -2.03 -0.04 0.00 0.01 0.00 0.00 46.19 44.00 2k5g s LEU 117 CO -0.10 -0.07 0.20 -0.36 1.01 0.00 0.00 176.35 177.03 2k5g s PHE 118 N 1.69 3.22 -0.24 0.29 0.08 0.74 -0.58 117.98 123.18 2k5g s PHE 118 Ca 0.06 -0.04 0.01 0.00 0.12 0.00 0.00 56.93 57.08 2k5g s PHE 118 Cb -0.16 -2.41 0.06 0.00 -0.57 0.00 0.00 43.02 39.95 2k5g s PHE 118 CO 0.08 -0.25 -0.06 -1.21 -0.10 0.00 0.00 175.22 173.68 2k5g s GLU 119 N 1.74 1.68 -0.15 0.44 2.02 -0.68 -1.21 118.70 122.54 2k5g s GLU 119 Ca 0.07 -1.02 -0.07 0.00 0.02 0.00 0.00 54.97 53.97 2k5g s GLU 119 Cb -0.16 -2.61 -0.04 0.00 0.10 0.00 0.00 34.13 31.41 2k5g s GLU 119 CO 0.10 -0.59 0.09 -0.51 0.02 0.00 0.00 175.26 174.37 2k5g s LEU 120 N 1.37 4.01 -0.04 1.80 1.43 0.18 -0.62 118.68 126.81 2k5g s LEU 120 Ca -0.06 0.23 0.06 0.00 -1.03 0.00 0.00 54.13 53.33 2k5g s LEU 120 Cb -0.19 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 2k5g s LEU 120 CO -0.06 0.28 -0.20 -0.44 0.23 0.00 0.00 176.35 176.16 2k5g s SER 121 N -0.26 3.52 -0.21 2.29 0.01 0.80 -4.72 113.70 115.13 2k5g s SER 121 Ca 0.09 -0.34 -0.07 0.00 1.31 0.00 0.00 55.95 56.95 2k5g s SER 121 Cb -0.12 -0.60 -0.03 0.00 0.21 0.00 0.00 66.02 65.48 2k5g s SER 121 CO 0.01 0.33 0.04 -1.83 0.41 0.00 0.00 173.24 172.21 2k5g s GLU 122 N -0.65 3.74 0.00 12.44 -1.05 -1.26 0.57 118.70 132.49 2k5g s GLU 122 Ca 0.10 -0.45 0.00 0.00 -0.15 0.00 0.00 54.97 54.47 2k5g s GLU 122 Cb -0.10 -3.20 0.00 0.00 -0.44 0.00 0.00 34.13 30.38 2k5g s GLU 122 CO -0.00 0.02 0.00 0.00 0.95 0.00 0.00 175.26 176.23 2k5g n ALA 123 N 4.27 0.00 1.24 -0.84 0.00 0.23 -4.95 120.51 120.45 2k5g n ALA 123 Ca -0.17 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.32 2k5g n ALA 123 Cb 0.52 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.23 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 -0.62 0.00 0.00 0.00 -1.26 -4.07 105.19 104.24 2k5g n GLY 124 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.72 0.00 -4.38 1.61 2.13 -1.26 -5.10 120.64 112.92 2k5g n GLU 125 Ca 0.07 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.59 2k5g n GLU 125 Cb 0.03 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.68 2k5g n GLU 125 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2k5g n GLN 126 N -0.01 0.87 -4.68 5.31 6.02 -1.25 -2.55 117.38 121.09 2k5g n GLN 126 Ca 0.00 -3.36 -0.23 0.00 -0.01 0.00 0.00 57.00 53.40 2k5g n GLN 126 Cb 0.00 0.86 -0.15 0.00 1.02 0.00 0.00 30.24 31.96 2k5g n GLN 126 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2k5g s VAL 127 N -2.66 1.16 -0.17 5.09 0.11 -0.19 0.74 120.40 124.48 2k5g s VAL 127 Ca 0.02 -0.61 -0.19 0.00 -2.93 0.00 0.00 61.98 58.28 2k5g s VAL 127 Cb -0.00 -0.97 -0.03 0.00 -1.53 0.00 0.00 36.38 33.84 2k5g s VAL 127 CO 0.02 0.33 0.52 -0.13 -3.33 0.00 0.00 175.10 172.50 2k5g s ARG 128 N -0.24 4.24 -0.21 1.54 0.52 0.19 -0.17 118.95 124.82 2k5g s ARG 128 Ca 0.04 0.44 -0.05 0.00 -0.52 0.00 0.00 55.73 55.64 2k5g s ARG 128 Cb -0.07 -3.52 -0.02 0.00 0.52 0.00 0.00 34.95 31.86 2k5g s ARG 128 CO -0.00 -0.06 -0.01 -1.17 0.02 0.00 0.00 175.30 174.08 2k5g s LEU 129 N 1.33 3.15 -0.32 2.53 2.96 0.83 -0.14 118.68 129.02 2k5g s LEU 129 Ca 0.25 -0.27 -0.03 0.00 -0.22 0.00 0.00 54.13 53.87 2k5g s LEU 129 Cb -0.15 -1.80 0.06 0.00 0.50 0.00 0.00 46.19 44.79 2k5g s LEU 129 CO 0.10 0.03 0.05 -0.69 -1.32 0.00 0.00 176.35 174.52 2k5g s VAL 130 N 1.23 3.17 -0.44 1.68 1.01 0.21 0.04 120.40 127.29 2k5g s VAL 130 Ca 0.03 -1.45 -0.23 0.00 0.00 0.00 0.00 61.98 60.33 2k5g s VAL 130 Cb -0.15 -2.88 0.02 0.00 0.00 0.00 0.00 36.38 33.38 2k5g s VAL 130 CO 0.01 -0.21 0.77 -0.22 0.00 0.00 0.00 175.10 175.44 2k5g s LEU 131 N 1.26 4.26 -0.42 3.92 0.20 0.11 -1.69 118.68 126.33 2k5g s LEU 131 Ca -0.02 -0.06 -0.00 0.00 0.69 0.00 0.00 54.13 54.73 2k5g s LEU 131 Cb -0.20 -2.95 0.11 0.00 -0.43 0.00 0.00 46.19 42.73 2k5g s LEU 131 CO -0.01 -0.87 0.18 -0.89 -0.29 0.00 0.00 176.35 174.47 2k5g s THR 132 N 3.21 2.98 -0.51 3.68 2.01 0.25 -1.98 115.64 125.29 2k5g s THR 132 Ca 0.29 -2.31 -0.25 0.00 0.31 0.00 0.00 61.69 59.73 2k5g s THR 132 Cb -0.12 -3.07 0.03 0.00 0.01 0.00 0.00 72.50 69.35 2k5g s THR 132 CO 0.21 -0.69 0.93 -2.28 -0.69 0.00 0.00 174.62 172.11 2k5g s HIS 133 N 0.86 2.85 0.51 4.92 2.46 -0.43 0.13 115.29 126.60 2k5g s HIS 133 Ca 0.10 0.17 0.05 0.00 0.47 0.00 0.00 55.06 55.85 2k5g s HIS 133 Cb -0.22 -4.01 0.04 0.00 -0.13 0.00 0.00 32.58 28.25 2k5g s HIS 133 CO -0.05 -1.23 0.70 0.95 -2.47 0.00 0.00 174.74 172.64 2k5g s THR 134 N 3.85 2.72 -1.23 0.89 -4.23 0.11 -1.89 115.64 115.87 2k5g s THR 134 Ca 0.33 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 2k5g s THR 134 Cb -0.11 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.85 2k5g s THR 134 CO 0.23 0.00 0.00 -1.14 -0.54 0.00 0.00 174.62 173.17 2k5g n ARG 135 N -2.15 -0.94 -2.67 3.99 0.63 -1.26 -0.81 116.66 113.45 2k5g n ARG 135 Ca 0.09 0.80 -0.42 0.00 -0.92 0.00 0.00 57.85 57.40 2k5g n ARG 135 Cb 0.60 -4.91 -0.03 0.00 0.45 0.00 0.00 32.46 28.57 2k5g n ARG 135 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2k5g s LEU 136 N -3.23 4.36 0.24 6.15 1.43 -1.26 -4.40 118.68 121.97 2k5g s LEU 136 Ca 0.00 1.70 -0.03 0.00 -1.03 0.00 0.00 54.13 54.77 2k5g s LEU 136 Cb 0.00 -3.57 0.27 0.00 0.03 0.00 0.00 46.19 42.92 2k5g s LEU 136 CO 0.00 -0.30 1.71 0.00 0.23 0.00 0.00 176.35 177.99 2k5g h ALA 137 N 6.82 1.01 -1.60 4.21 0.00 -1.93 -3.46 119.26 124.31 2k5g h ALA 137 Ca -0.40 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2k5g h ALA 137 Cb 1.21 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2k5g h ALA 137 CO 0.76 0.60 0.00 -3.47 0.00 0.00 0.00 179.25 177.14 2k5g n ASP 138 N -4.18 0.00 0.29 0.00 -0.08 -1.26 -4.99 116.55 106.33 2k5g n ASP 138 Ca 0.02 -0.73 0.15 0.00 -1.51 0.00 0.00 54.79 52.72 2k5g n ASP 138 Cb 0.34 0.00 0.87 0.00 2.34 0.00 0.00 41.12 44.67 2k5g n ASP 138 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 2k5g h ARG 139 N 0.00 0.00 -0.56 -0.67 -0.00 -1.85 0.01 114.38 111.31 2k5g h ARG 139 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.46 2k5g h ARG 139 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 29.94 2k5g h ARG 139 CO 0.00 0.05 0.27 0.00 0.00 0.00 0.00 179.97 180.29 2k5g h ALA 140 N 1.95 1.43 -0.05 0.04 0.00 -1.89 0.43 119.26 121.17 2k5g h ALA 140 Ca -0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 2k5g h ALA 140 Cb 0.18 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2k5g h ALA 140 CO 0.01 0.45 -0.12 0.00 0.00 0.00 0.00 179.25 179.60 2k5g h ALA 141 N 1.52 0.08 -0.11 0.00 0.00 -1.36 0.19 119.26 119.57 2k5g h ALA 141 Ca 0.19 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2k5g h ALA 141 Cb 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2k5g h ALA 141 CO -0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 179.25 179.17 2k5g h MET 142 N -0.36 0.16 0.00 0.00 -0.00 -1.44 0.26 114.93 113.56 2k5g h MET 142 Ca -0.00 -0.02 -0.10 0.00 -0.00 0.00 0.00 59.70 59.58 2k5g h MET 142 Cb 0.71 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 32.27 2k5g h MET 142 CO 0.03 0.19 -0.46 -0.07 -0.00 0.00 0.00 176.91 176.60 2k5g h LEU 143 N 0.16 0.00 -0.30 -0.10 3.38 -0.65 0.23 115.31 118.03 2k5g h LEU 143 Ca 0.04 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2k5g h LEU 143 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2k5g h LEU 143 CO 0.00 0.46 -0.03 -0.78 0.09 0.00 0.00 178.44 178.18 2k5g h ASP 144 N 0.00 0.55 1.81 -0.43 3.58 0.27 -2.75 116.42 119.44 2k5g h ASP 144 Ca -0.00 -0.34 -0.00 0.00 0.42 0.00 0.00 57.03 57.10 2k5g h ASP 144 Cb 0.85 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.75 2k5g h ASP 144 CO 0.06 0.75 -0.02 -0.37 -2.88 0.00 0.00 179.24 176.78 2k5g h VAL 145 N 0.33 0.04 -0.71 2.25 -1.51 -1.19 -3.29 116.25 112.16 2k5g h VAL 145 Ca 0.08 -0.96 0.21 0.00 -1.23 0.00 0.00 66.70 64.80 2k5g h VAL 145 Cb 0.49 1.93 -0.03 0.00 -2.13 0.00 0.00 31.29 31.56 2k5g h VAL 145 CO 0.02 0.02 0.70 0.00 -1.23 0.00 0.00 177.57 177.09 2k5g h ALA 146 N 1.98 2.52 -0.02 5.19 0.00 -0.23 -2.38 119.26 126.33 2k5g h ALA 146 Ca -0.00 -0.02 -0.64 0.00 0.00 0.00 0.00 54.91 54.24 2k5g h ALA 146 Cb 0.93 0.05 0.04 0.00 0.00 0.00 0.00 17.79 18.82 2k5g h ALA 146 CO 0.00 -1.07 2.28 0.41 0.00 0.00 0.00 179.25 180.87 2k5g n GLY 147 N -1.60 2.56 0.00 0.00 0.00 -1.24 -4.03 105.19 100.88 2k5g n GLY 147 Ca 0.15 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 4.56 3.13 0.22 -0.02 0.00 -1.24 -4.94 105.19 106.90 2k5g n GLY 148 Ca 0.50 -1.07 -0.08 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.66 -0.90 1.61 -0.00 -1.56 -2.73 115.95 111.71 2k5g h TRP 149 Ca 0.00 0.01 0.14 0.00 -0.00 0.00 0.00 58.89 59.04 2k5g h TRP 149 Cb 0.00 0.28 -0.09 0.00 -0.00 0.00 0.00 29.16 29.35 2k5g h TRP 149 CO 0.00 -0.28 0.51 1.12 -0.00 0.00 0.00 178.44 179.80 2k5g h HIS 150 N -0.37 0.91 -0.07 2.65 2.07 -1.80 -0.59 115.15 117.95 2k5g h HIS 150 Ca -0.01 0.03 0.02 0.00 -2.85 0.00 0.00 60.37 57.56 2k5g h HIS 150 Cb 0.35 -0.27 -0.00 0.00 2.57 0.00 0.00 27.41 30.06 2k5g h HIS 150 CO -0.30 0.28 0.11 0.00 -3.07 0.00 0.00 177.93 174.96 2k5g h ALA 151 N 1.55 1.51 0.00 6.11 0.00 -1.80 -1.46 119.26 125.17 2k5g h ALA 151 Ca 0.48 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.38 2k5g h ALA 151 Cb 0.60 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2k5g h ALA 151 CO -0.32 -0.15 -0.02 1.12 0.00 0.00 0.00 179.25 179.87 2k5g h HIS 152 N 0.00 0.00 0.00 0.00 2.07 -0.98 -0.83 115.15 115.41 2k5g h HIS 152 Ca 0.04 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.53 2k5g h HIS 152 Cb 0.26 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.24 2k5g h HIS 152 CO 0.00 0.02 -0.12 -0.07 -3.07 0.00 0.00 177.93 174.70 2k5g h LEU 153 N 0.00 0.00 0.01 6.12 3.38 -1.44 -1.04 115.31 122.34 2k5g h LEU 153 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2k5g h LEU 153 Cb 0.09 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.85 2k5g h LEU 153 CO 0.00 0.12 -0.55 0.00 0.09 0.00 0.00 178.44 178.10 2k5g h ALA 154 N 1.88 0.05 -0.26 1.53 0.00 -1.34 -2.94 119.26 118.19 2k5g h ALA 154 Ca -0.00 -0.56 -0.12 0.00 0.00 0.00 0.00 54.91 54.23 2k5g h ALA 154 Cb 0.47 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2k5g h ALA 154 CO 0.02 0.30 -0.33 0.28 0.00 0.00 0.00 179.25 179.51 2k5g h VAL 155 N -0.21 1.29 0.19 0.00 2.07 -1.56 -1.01 116.25 117.02 2k5g h VAL 155 Ca -0.07 -1.44 0.01 0.00 0.82 0.00 0.00 66.70 66.02 2k5g h VAL 155 Cb 1.28 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 32.46 2k5g h VAL 155 CO 0.11 0.46 -0.42 -0.07 0.02 0.00 0.00 177.57 177.66 2k5g h LEU 156 N 0.46 -1.22 -1.04 2.57 3.38 -1.26 0.13 115.31 118.33 2k5g h LEU 156 Ca 0.05 0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.17 2k5g h LEU 156 Cb 0.80 0.45 -0.05 0.00 0.09 0.00 0.00 40.66 41.95 2k5g h LEU 156 CO 0.07 -0.51 0.65 0.00 0.09 0.00 0.00 178.44 178.73 2k5g h ALA 157 N -0.27 1.32 -0.19 1.53 0.00 -1.37 0.16 119.26 120.43 2k5g h ALA 157 Ca 0.01 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.88 2k5g h ALA 157 Cb 0.70 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2k5g h ALA 157 CO -0.20 0.62 0.05 0.78 0.00 0.00 0.00 179.25 180.50 2k5g h GLY 158 N 1.31 0.22 0.63 0.00 0.00 -0.72 0.63 103.07 105.14 2k5g h GLY 158 Ca 0.37 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.65 2k5g h GLY 158 CO -0.09 0.01 -0.05 0.50 0.00 0.00 0.00 176.54 176.91 2k5g h LYS 159 N 0.13 0.15 0.00 4.80 1.79 -0.24 0.96 116.57 124.16 2k5g h LYS 159 Ca 0.09 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.46 2k5g h LYS 159 Cb 0.07 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.72 2k5g h LYS 159 CO -0.10 0.56 -0.09 -0.07 -1.08 0.00 0.00 179.45 178.66 2k5g h LEU 160 N -0.26 0.00 0.00 2.94 3.38 -0.64 0.50 115.31 121.23 2k5g h LEU 160 Ca 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2k5g h LEU 160 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2k5g h LEU 160 CO 0.01 0.09 -0.51 0.00 0.09 0.00 0.00 178.44 178.12 2k5g h ALA 161 N 1.91 0.76 0.00 1.53 0.00 -0.82 -3.42 119.26 119.22 2k5g h ALA 161 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2k5g h ALA 161 Cb 0.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2k5g h ALA 161 CO 0.01 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.96 2k5g n GLY 162 N 1.19 0.70 3.53 0.00 0.00 0.17 -3.42 105.19 107.35 2k5g n GLY 162 Ca 0.01 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.28 0.75 -2.33 1.61 10.64 0.28 -4.86 117.38 121.18 2k5g n GLN 163 Ca 0.00 -3.23 -0.32 0.00 -1.83 0.00 0.00 57.00 51.62 2k5g n GLN 163 Cb 0.06 0.40 -0.03 0.00 -0.86 0.00 0.00 30.24 29.82 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 -2.74 3.00 0.52 2.61 0.00 -1.26 -4.27 121.76 119.61 2k5g s ALA 164 Ca 0.26 0.22 -0.17 0.00 0.00 0.00 0.00 51.96 52.27 2k5g s ALA 164 Cb -0.02 -3.14 -0.08 0.00 0.00 0.00 0.00 23.12 19.88 2k5g s ALA 164 CO 0.16 -0.35 1.00 -1.25 0.00 0.00 0.00 175.76 175.33 2k5g s PRO 165 N -4.07 3.87 0.75 0.00 0.04 -1.26 -4.80 135.00 129.54 2k5g s PRO 165 Ca 0.60 1.03 -0.09 0.00 0.04 0.00 0.00 61.00 62.58 2k5g s PRO 165 Cb -0.11 -2.12 0.07 0.00 0.04 0.00 0.00 34.50 32.38 2k5g s PRO 165 CO 0.32 -0.34 1.09 -1.25 0.04 0.00 0.00 177.00 176.86 2k5g s PRO 166 N -3.94 2.07 -0.23 0.56 0.04 -1.26 -4.97 135.00 127.28 2k5g s PRO 166 Ca 0.60 -0.10 -0.29 0.00 0.04 0.00 0.00 61.00 61.25 2k5g s PRO 166 Cb -0.11 -2.07 -0.06 0.00 0.04 0.00 0.00 34.50 32.30 2k5g s PRO 166 CO 0.30 -1.41 2.22 -0.35 0.04 0.00 0.00 177.00 177.80 2k5g n PRO 167 N -3.10 1.89 0.12 0.56 -0.04 -1.26 -4.89 135.00 128.28 2k5g n PRO 167 Ca 0.08 0.51 -0.13 0.00 -0.04 0.00 0.00 63.50 63.92 2k5g n PRO 167 Cb 0.61 -3.18 -0.08 0.00 -0.04 0.00 0.00 33.50 30.81 2k5g n PRO 167 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2k5g h PHE 168 N 14.89 -0.28 -0.78 0.54 3.57 -1.93 -2.45 116.94 130.49 2k5g h PHE 168 Ca -0.40 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.08 2k5g h PHE 168 Cb 1.25 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 40.04 2k5g h PHE 168 CO 0.94 0.05 0.41 -1.49 -2.23 0.00 0.00 178.31 176.00 2k5g h TRP 169 N -0.65 1.09 -0.16 0.41 -0.00 -1.92 0.34 115.95 115.06 2k5g h TRP 169 Ca -0.03 -0.04 0.02 0.00 -0.00 0.00 0.00 58.89 58.85 2k5g h TRP 169 Cb 0.46 -0.34 -0.02 0.00 -0.00 0.00 0.00 29.16 29.25 2k5g h TRP 169 CO 0.03 0.77 0.01 1.15 -0.00 0.00 0.00 178.44 180.40 2k5g h THR 170 N 1.09 0.90 -0.32 1.49 2.02 -1.97 0.17 112.91 116.29 2k5g h THR 170 Ca 0.27 -0.02 -0.05 0.00 0.77 0.00 0.00 66.41 67.38 2k5g h THR 170 Cb 0.06 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 2k5g h THR 170 CO -0.04 0.01 -0.01 0.74 0.37 0.00 0.00 175.52 176.60 2k5g h THR 171 N 0.06 1.26 0.39 3.16 2.02 -0.92 -1.11 112.91 117.78 2k5g h THR 171 Ca 0.07 -0.97 -0.01 0.00 0.77 0.00 0.00 66.41 66.27 2k5g h THR 171 Cb 0.08 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 2k5g h THR 171 CO -0.11 0.32 -0.27 0.25 0.37 0.00 0.00 175.52 176.07 2k5g h LEU 172 N 0.37 -0.70 -0.87 2.58 6.46 -0.14 -1.36 115.31 121.65 2k5g h LEU 172 Ca 0.09 0.05 -0.06 0.00 -0.12 0.00 0.00 57.88 57.84 2k5g h LEU 172 Cb 0.45 0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.57 2k5g h LEU 172 CO 0.02 -0.42 0.17 0.00 -0.62 0.00 0.00 178.44 177.59 2k5g h ALA 173 N -0.10 1.08 0.07 1.25 0.00 -0.65 0.20 119.26 121.11 2k5g h ALA 173 Ca -0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2k5g h ALA 173 Cb 0.55 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2k5g h ALA 173 CO 0.02 0.62 -0.03 0.37 0.00 0.00 0.00 179.25 180.22 2k5g h GLN 174 N 0.97 -0.09 -0.41 0.00 5.75 -1.08 0.31 115.11 120.57 2k5g h GLN 174 Ca 0.21 0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.65 2k5g h GLN 174 Cb 0.32 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.87 2k5g h GLN 174 CO -0.00 -0.02 -0.03 0.00 -2.65 0.00 0.00 178.83 176.12 2k5g h ALA 175 N 0.80 1.18 -0.51 3.38 0.00 -0.99 -1.36 119.26 121.75 2k5g h ALA 175 Ca -0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2k5g h ALA 175 Cb 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2k5g h ALA 175 CO 0.02 0.53 0.32 0.93 0.00 0.00 0.00 179.25 181.05 2k5g h GLU 176 N 0.63 0.69 -0.76 0.00 4.39 -0.25 -0.90 114.58 118.38 2k5g h GLU 176 Ca 0.12 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.81 2k5g h GLU 176 Cb 0.45 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 28.90 2k5g h GLU 176 CO 0.02 0.49 0.47 1.96 -1.16 0.00 0.00 179.01 180.80 2k5g h GLN 177 N 0.69 0.88 0.88 2.33 1.08 0.17 0.88 115.11 122.02 2k5g h GLN 177 Ca 0.19 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.29 2k5g h GLN 177 Cb -0.03 -0.20 0.01 0.00 -0.05 0.00 0.00 27.48 27.21 2k5g h GLN 177 CO -0.04 0.58 -0.42 0.22 -0.95 0.00 0.00 178.83 178.22 2k5g h ASP 178 N 0.90 -1.00 -0.49 1.46 1.82 -0.78 -2.62 116.42 115.72 2k5g h ASP 178 Ca 0.32 0.03 0.06 0.00 -0.39 0.00 0.00 57.03 57.05 2k5g h ASP 178 Cb 0.07 0.26 -0.05 0.00 0.68 0.00 0.00 39.33 40.29 2k5g h ASP 178 CO -0.13 -0.71 0.18 1.88 -1.61 0.00 0.00 179.24 178.85 2k5g h TYR 179 N -1.19 0.32 0.00 0.28 -1.99 -0.98 -0.58 116.97 112.83 2k5g h TYR 179 Ca -0.12 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.63 2k5g h TYR 179 Cb 0.91 -0.07 -0.00 0.00 2.00 0.00 0.00 36.73 39.56 2k5g h TYR 179 CO -0.01 0.11 -0.01 0.93 -0.00 0.00 0.00 178.16 179.19 2k5g h GLU 180 N 0.36 0.00 0.01 4.88 4.39 -0.83 -1.70 114.58 121.70 2k5g h GLU 180 Ca 0.23 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.64 2k5g h GLU 180 Cb 0.23 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.83 2k5g h GLU 180 CO -0.23 0.01 -1.71 0.37 -1.16 0.00 0.00 179.01 176.29 2k5g h GLN 181 N 0.00 0.02 0.00 2.33 5.75 -0.75 -3.42 115.11 119.04 2k5g h GLN 181 Ca -0.00 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 2k5g h GLN 181 Cb 0.04 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.60 2k5g h GLN 181 CO 0.00 0.54 0.00 0.54 -2.65 0.00 0.00 178.83 177.26 2k5g n ARG 182 N -3.08 0.00 -3.64 1.69 5.12 -0.57 -4.96 116.66 111.22 2k5g n ARG 182 Ca -0.17 0.32 -0.07 0.00 -1.93 0.00 0.00 57.85 55.99 2k5g n ARG 182 Cb 1.05 -1.21 -0.07 0.00 -1.16 0.00 0.00 32.46 31.07 2k5g n ARG 182 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2k5g s LEU 183 N -2.92 -0.63 0.11 0.55 0.20 -1.19 -5.12 118.68 109.68 2k5g s LEU 183 Ca 0.00 1.09 -0.08 0.00 0.69 0.00 0.00 54.13 55.83 2k5g s LEU 183 Cb 0.00 2.05 -0.01 0.00 -0.43 0.00 0.00 46.19 47.80 2k5g s LEU 183 CO 0.00 -0.18 0.19 -1.48 -0.29 0.00 0.00 176.35 174.59 2k5g s LEU 184 N 0.93 1.39 0.06 -0.68 2.34 -1.26 -4.23 118.68 117.23 2k5g s LEU 184 Ca -0.04 -0.76 -0.00 0.00 0.06 0.00 0.00 54.13 53.39 2k5g s LEU 184 Cb -0.05 0.98 -0.04 0.00 -0.56 0.00 0.00 46.19 46.53 2k5g s LEU 184 CO -0.11 -0.76 -0.04 -1.61 -1.06 0.00 0.00 176.35 172.76 2k5g s GLU 185 N -3.90 0.65 -0.91 1.48 2.02 -1.26 -4.86 118.70 111.92 2k5g s GLU 185 Ca 0.09 -1.19 -0.01 0.00 0.02 0.00 0.00 54.97 53.88 2k5g s GLU 185 Cb 0.05 0.07 0.26 0.00 0.10 0.00 0.00 34.13 34.60 2k5g s GLU 185 CO -0.07 -0.07 1.02 0.72 0.02 0.00 0.00 175.26 176.87 2k5g n HIS 186 N 0.23 3.59 -3.44 1.61 8.25 -1.26 -4.84 115.22 119.36 2k5g n HIS 186 Ca -0.15 -3.66 -0.42 0.00 -0.26 0.00 0.00 57.72 53.24 2k5g n HIS 186 Cb 0.60 -1.08 -0.02 0.00 1.12 0.00 0.00 29.99 30.61 2k5g n HIS 186 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2k5g s HIS 187 N -2.06 4.15 -0.24 4.41 5.04 -1.26 -4.98 115.29 120.35 2k5g s HIS 187 Ca 0.32 -2.81 0.01 0.00 -1.54 0.00 0.00 55.06 51.03 2k5g s HIS 187 Cb 0.01 -3.63 0.04 0.00 0.04 0.00 0.00 32.58 29.04 2k5g s HIS 187 CO -0.03 -0.88 -0.11 -1.01 -2.34 0.00 0.00 174.74 170.37 2k5g s HIS 188 N -1.31 3.08 -0.43 3.88 3.76 -1.26 -0.87 115.29 122.14 2k5g s HIS 188 Ca 0.30 -1.90 -0.04 0.00 -0.15 0.00 0.00 55.06 53.26 2k5g s HIS 188 Cb -0.09 -1.97 0.12 0.00 1.11 0.00 0.00 32.58 31.74 2k5g s HIS 188 CO -0.10 -0.82 0.24 -1.58 -0.85 0.00 0.00 174.74 171.64 2k5g s HIS 189 N 1.22 3.55 -0.35 1.40 5.04 -1.26 -4.92 115.29 119.98 2k5g s HIS 189 Ca -0.02 -2.35 -0.16 0.00 -1.54 0.00 0.00 55.06 50.99 2k5g s HIS 189 Cb -0.17 -3.27 -0.01 0.00 0.04 0.00 0.00 32.58 29.17 2k5g s HIS 189 CO -0.07 -0.97 0.38 -1.58 -2.34 0.00 0.00 174.74 170.16 2k5g s HIS 190 N 1.09 3.21 -1.88 3.88 2.46 -1.26 -4.86 115.29 117.92 2k5g s HIS 190 Ca 0.08 -0.02 0.00 0.00 0.47 0.00 0.00 55.06 55.59 2k5g s HIS 190 Cb -0.23 -2.70 0.00 0.00 -0.13 0.00 0.00 32.58 29.52 2k5g s HIS 190 CO -0.04 -0.45 0.47 -2.39 -2.47 0.00 0.00 174.74 169.86