#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5g n THR 2 N 0.00 -0.34 -2.10 2.03 -1.04 -1.26 -4.93 114.28 106.64 2k5g n THR 2 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 2k5g n THR 2 Cb 0.00 -2.05 -0.03 0.00 -1.82 0.00 0.00 70.33 66.43 2k5g n THR 2 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2k5g s SER 3 N -2.57 6.75 0.14 8.00 0.01 -1.26 -4.99 113.70 119.78 2k5g s SER 3 Ca 0.00 2.32 0.00 0.00 1.31 0.00 0.00 55.95 59.58 2k5g s SER 3 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2k5g s SER 3 CO 0.00 -0.76 0.00 -0.81 0.41 0.00 0.00 173.24 172.08 2k5g n PRO 4 N 4.91 1.63 -3.53 12.44 -0.04 -1.26 -5.10 135.00 144.06 2k5g n PRO 4 Ca 0.13 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.34 2k5g n PRO 4 Cb 0.42 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.74 2k5g n PRO 4 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2k5g s SER 5 N -1.00 2.77 0.10 3.54 0.01 -1.25 -4.96 113.70 112.91 2k5g s SER 5 Ca 0.00 -0.96 -0.31 0.00 1.31 0.00 0.00 55.95 55.99 2k5g s SER 5 Cb 0.00 -0.11 -0.10 0.00 0.21 0.00 0.00 66.02 66.01 2k5g s SER 5 CO 0.00 -0.40 1.87 -0.24 0.41 0.00 0.00 173.24 174.88 2k5g n SER 6 N 5.27 4.05 -3.68 2.44 2.88 -1.25 -3.71 113.62 119.62 2k5g n SER 6 Ca -0.05 0.97 -0.08 0.00 -1.33 0.00 0.00 58.87 58.37 2k5g n SER 6 Cb 0.45 -1.54 -0.02 0.00 -0.75 0.00 0.00 64.21 62.35 2k5g n SER 6 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k5g s ALA 7 N 3.13 -1.44 -0.53 -1.46 0.00 0.82 -4.93 121.76 117.35 2k5g s ALA 7 Ca 0.84 0.09 0.04 0.00 0.00 0.00 0.00 51.96 52.93 2k5g s ALA 7 Cb -0.48 0.80 0.15 0.00 0.00 0.00 0.00 23.12 23.59 2k5g s ALA 7 CO 0.39 -0.93 0.33 -0.06 0.00 0.00 0.00 175.76 175.49 2k5g s PHE 8 N -3.73 2.56 -0.05 0.00 0.08 -1.26 -4.65 117.98 110.94 2k5g s PHE 8 Ca 0.08 -2.82 -0.18 0.00 0.12 0.00 0.00 56.93 54.12 2k5g s PHE 8 Cb -0.03 -2.18 -0.05 0.00 -0.57 0.00 0.00 43.02 40.18 2k5g s PHE 8 CO -0.01 -0.71 0.48 -1.25 -0.10 0.00 0.00 175.22 173.63 2k5g s PRO 9 N -0.33 4.21 -0.24 0.24 0.04 -1.26 -5.07 135.00 132.58 2k5g s PRO 9 Ca 0.22 0.51 -0.03 0.00 0.04 0.00 0.00 61.00 61.73 2k5g s PRO 9 Cb -0.15 -3.34 0.01 0.00 0.04 0.00 0.00 34.50 31.05 2k5g s PRO 9 CO -0.07 0.38 -0.04 0.34 0.04 0.00 0.00 177.00 177.66 2k5g s ASP 10 N -0.14 4.39 -0.45 6.66 2.15 -1.26 -4.97 116.67 123.04 2k5g s ASP 10 Ca 0.26 -0.67 0.07 0.00 0.43 0.00 0.00 52.55 52.65 2k5g s ASP 10 Cb -0.16 -1.72 0.29 0.00 -0.30 0.00 0.00 42.92 41.03 2k5g s ASP 10 CO 0.13 -0.09 0.92 0.61 -0.17 0.00 0.00 175.17 176.56 2k5g n GLY 11 N 4.74 1.06 1.91 2.66 0.00 -1.26 -4.94 105.19 109.36 2k5g n GLY 11 Ca -0.17 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 2k5g n GLY 11 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2k5g n HIS 12 N 0.92 2.43 -1.69 1.61 1.44 -1.26 -4.28 115.22 114.39 2k5g n HIS 12 Ca 0.11 -1.49 -0.39 0.00 -2.01 0.00 0.00 57.72 53.94 2k5g n HIS 12 Cb 0.65 -0.74 -0.04 0.00 0.12 0.00 0.00 29.99 29.98 2k5g n HIS 12 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2k5g n GLY 13 N -0.69 2.59 3.57 -1.39 0.00 -1.26 -4.91 105.19 103.10 2k5g n GLY 13 Ca 0.46 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 2k5g n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5g s ALA 14 N 5.95 2.83 -0.77 4.61 0.00 -1.26 -4.73 121.76 128.38 2k5g s ALA 14 Ca 0.57 -0.74 -0.23 0.00 0.00 0.00 0.00 51.96 51.56 2k5g s ALA 14 Cb 0.09 -4.10 0.07 0.00 0.00 0.00 0.00 23.12 19.17 2k5g s ALA 14 CO 0.07 -2.93 1.14 1.03 0.00 0.00 0.00 175.76 175.08 2k5g s ARG 15 N 5.46 3.27 0.00 0.00 1.81 -1.26 -5.02 118.95 123.21 2k5g s ARG 15 Ca 0.50 -0.84 -0.09 0.00 -1.72 0.00 0.00 55.73 53.57 2k5g s ARG 15 Cb -0.10 -4.46 -0.05 0.00 -0.45 0.00 0.00 34.95 29.88 2k5g s ARG 15 CO 0.24 -1.95 0.31 -0.48 -0.68 0.00 0.00 175.30 172.74 2k5g s LEU 16 N 4.45 4.40 -0.17 2.53 2.34 -1.26 -4.75 118.68 126.22 2k5g s LEU 16 Ca 0.30 0.70 -0.07 0.00 0.06 0.00 0.00 54.13 55.12 2k5g s LEU 16 Cb -0.10 -2.62 0.03 0.00 -0.56 0.00 0.00 46.19 42.94 2k5g s LEU 16 CO 0.06 0.28 0.15 -0.67 -1.06 0.00 0.00 176.35 175.11 2k5g n ASP 17 N 1.39 -2.04 -1.20 1.48 2.03 -1.26 -5.10 116.55 111.85 2k5g n ASP 17 Ca -0.13 1.04 0.00 0.00 0.52 0.00 0.00 54.79 56.23 2k5g n ASP 17 Cb 0.53 -4.28 0.00 0.00 -0.72 0.00 0.00 41.12 36.65 2k5g n ASP 17 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k5g n ALA 18 N 1.12 0.00 0.15 -1.67 0.00 -1.26 -5.03 120.51 113.83 2k5g n ALA 18 Ca -0.25 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.19 2k5g n ALA 18 Cb 0.39 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.06 2k5g n ALA 18 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2k5g h GLN 19 N 0.00 0.00 0.00 0.00 1.08 -2.02 -3.45 115.11 110.72 2k5g h GLN 19 Ca 0.00 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.68 2k5g h GLN 19 Cb 0.00 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 27.33 2k5g h GLN 19 CO 0.00 0.55 -0.39 0.43 -0.95 0.00 0.00 178.83 178.47 2k5g n SER 20 N -3.72 2.60 -4.61 1.46 7.64 -1.26 -5.05 113.62 110.68 2k5g n SER 20 Ca -0.01 -2.81 -0.38 0.00 1.01 0.00 0.00 58.87 56.69 2k5g n SER 20 Cb 0.59 0.45 -0.10 0.00 -1.01 0.00 0.00 64.21 64.13 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 -2.58 5.31 -0.27 0.44 -1.09 -1.18 -4.87 121.20 116.96 2k5g s ILE 21 Ca 0.05 0.22 -0.00 0.00 -2.23 0.00 0.00 60.65 58.68 2k5g s ILE 21 Cb 0.00 -3.54 0.15 0.00 -1.58 0.00 0.00 42.46 37.49 2k5g s ILE 21 CO 0.03 0.26 0.40 0.00 -1.23 0.00 0.00 174.94 174.41 2k5g s ARG 22 N 1.64 0.39 -0.06 2.79 1.70 -1.18 0.07 118.95 124.31 2k5g s ARG 22 Ca 0.08 0.36 0.04 0.00 -0.47 0.00 0.00 55.73 55.74 2k5g s ARG 22 Cb -0.15 -0.35 -0.00 0.00 -0.57 0.00 0.00 34.95 33.88 2k5g s ARG 22 CO 0.10 -0.83 -0.18 -0.06 -1.08 0.00 0.00 175.30 173.24 2k5g s PHE 23 N 2.56 1.88 -0.17 5.89 0.08 -0.51 -4.73 117.98 122.98 2k5g s PHE 23 Ca 0.12 -0.61 -0.07 0.00 0.12 0.00 0.00 56.93 56.49 2k5g s PHE 23 Cb -0.14 -1.27 -0.04 0.00 -0.57 0.00 0.00 43.02 41.00 2k5g s PHE 23 CO -0.23 -0.23 0.06 -2.00 -0.10 0.00 0.00 175.22 172.73 2k5g s GLU 24 N 0.16 3.89 -0.10 0.44 2.12 -1.26 -0.14 118.70 123.81 2k5g s GLU 24 Ca -0.08 -0.33 0.02 0.00 0.36 0.00 0.00 54.97 54.94 2k5g s GLU 24 Cb -0.13 -3.19 0.01 0.00 0.26 0.00 0.00 34.13 31.08 2k5g s GLU 24 CO 0.04 0.34 -0.15 1.03 -0.54 0.00 0.00 175.26 175.97 2k5g s ARG 25 N 0.19 2.15 -0.19 4.30 1.81 0.56 -4.79 118.95 122.99 2k5g s ARG 25 Ca 0.05 -0.55 -0.17 0.00 -1.72 0.00 0.00 55.73 53.34 2k5g s ARG 25 Cb -0.12 -1.80 -0.04 0.00 -0.45 0.00 0.00 34.95 32.54 2k5g s ARG 25 CO 0.00 -0.02 0.46 -1.17 -0.68 0.00 0.00 175.30 173.89 2k5g s LEU 26 N 0.87 4.16 0.22 2.53 1.98 -1.26 0.35 118.68 127.53 2k5g s LEU 26 Ca -0.09 0.61 0.07 0.00 -2.89 0.00 0.00 54.13 51.83 2k5g s LEU 26 Cb -0.15 -2.62 -0.05 0.00 0.66 0.00 0.00 46.19 44.03 2k5g s LEU 26 CO 0.00 -0.12 -0.12 -0.76 -1.89 0.00 0.00 176.35 173.47 2k5g s LEU 27 N 1.41 2.53 0.05 -0.68 1.43 0.80 -4.70 118.68 119.51 2k5g s LEU 27 Ca 0.22 -1.06 -0.18 0.00 -1.03 0.00 0.00 54.13 52.07 2k5g s LEU 27 Cb -0.15 -0.65 -0.06 0.00 0.03 0.00 0.00 46.19 45.36 2k5g s LEU 27 CO 0.09 -0.22 0.52 -2.16 0.23 0.00 0.00 176.35 174.81 2k5g s PRO 28 N -3.67 4.12 0.00 1.29 0.05 -1.26 -0.17 135.00 135.36 2k5g s PRO 28 Ca 0.24 0.65 0.00 0.00 0.05 0.00 0.00 61.00 61.94 2k5g s PRO 28 Cb 0.00 -3.23 0.00 0.00 0.05 0.00 0.00 34.50 31.32 2k5g s PRO 28 CO 0.08 0.65 0.00 0.41 0.05 0.00 0.00 177.00 178.19 2k5g n GLY 29 N 1.75 3.29 0.09 0.56 0.00 0.35 -4.42 105.19 106.82 2k5g n GLY 29 Ca -0.11 -1.91 -0.13 0.00 0.00 0.00 0.00 46.02 43.87 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 0.17 0.00 1.61 0.13 -1.78 -2.04 132.00 130.09 2k5g h PRO 30 Ca 0.00 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2k5g h PRO 30 Cb 0.00 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.12 2k5g h PRO 30 CO 0.00 0.54 0.00 1.51 -0.23 0.00 0.00 178.00 179.82 2k5g n ILE 31 N -4.76 0.00 -0.16 -3.56 0.13 -1.26 -4.27 119.36 105.49 2k5g n ILE 31 Ca -0.07 0.00 -0.08 0.00 -1.10 0.00 0.00 62.75 61.50 2k5g n ILE 31 Cb 0.26 0.00 0.01 0.00 -0.84 0.00 0.00 39.64 39.07 2k5g n ILE 31 CO 0.00 0.00 0.00 -0.08 2.80 0.00 0.00 176.55 179.27 2k5g h GLU 32 N 0.00 0.64 0.49 9.51 4.81 -1.91 -2.90 114.58 125.22 2k5g h GLU 32 Ca 0.00 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 2k5g h GLU 32 Cb 0.00 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.25 2k5g h GLU 32 CO 0.00 0.49 -0.26 -0.09 -0.73 0.00 0.00 179.01 178.42 2k5g h ARG 33 N 0.62 -0.67 -0.45 1.92 2.43 -1.92 -1.82 114.38 114.48 2k5g h ARG 33 Ca 0.17 0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.39 2k5g h ARG 33 Cb 0.03 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 2k5g h ARG 33 CO -0.03 -0.44 0.30 0.28 -1.51 0.00 0.00 179.97 178.57 2k5g h VAL 34 N -0.69 1.11 -0.45 0.20 2.07 -1.77 -1.56 116.25 115.17 2k5g h VAL 34 Ca -0.06 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 2k5g h VAL 34 Cb 0.55 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 2k5g h VAL 34 CO 0.09 0.11 -0.03 -0.25 0.02 0.00 0.00 177.57 177.51 2k5g h TRP 35 N 0.60 0.82 -0.74 1.57 2.91 -1.22 -3.02 115.95 116.87 2k5g h TRP 35 Ca 0.17 -0.12 0.15 0.00 1.13 0.00 0.00 58.89 60.21 2k5g h TRP 35 Cb -0.06 -0.22 -0.10 0.00 -0.51 0.00 0.00 29.16 28.27 2k5g h TRP 35 CO -0.00 0.77 0.25 0.00 -1.03 0.00 0.00 178.44 178.44 2k5g h ALA 36 N 1.26 1.01 0.00 2.65 0.00 -0.44 0.28 119.26 124.02 2k5g h ALA 36 Ca 0.13 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 2k5g h ALA 36 Cb 0.48 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2k5g h ALA 36 CO 0.02 -0.26 -0.26 -1.49 0.00 0.00 0.00 179.25 177.26 2k5g h TRP 37 N 0.37 0.00 0.04 0.00 6.55 -1.59 0.33 115.95 121.65 2k5g h TRP 37 Ca 0.41 0.00 -0.23 0.00 0.95 0.00 0.00 58.89 60.03 2k5g h TRP 37 Cb 0.66 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.95 2k5g h TRP 37 CO -0.20 0.26 -1.03 -0.07 -1.05 0.00 0.00 178.44 176.36 2k5g h LEU 38 N 0.00 0.27 0.00 -4.49 3.38 -0.56 -3.35 115.31 110.56 2k5g h LEU 38 Ca -0.00 -0.25 -0.18 0.00 0.09 0.00 0.00 57.88 57.53 2k5g h LEU 38 Cb 0.57 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 2k5g h LEU 38 CO 0.03 1.13 -1.19 0.00 0.09 0.00 0.00 178.44 178.51 2k5g n ALA 39 N -2.46 0.74 -1.75 1.53 0.00 -0.01 -4.90 120.51 113.66 2k5g n ALA 39 Ca -0.05 -0.56 -0.42 0.00 0.00 0.00 0.00 53.44 52.42 2k5g n ALA 39 Cb 0.91 -0.29 -0.03 0.00 0.00 0.00 0.00 19.45 20.04 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 -6.57 6.38 0.52 0.00 2.15 0.11 -4.83 116.67 114.44 2k5g s ASP 40 Ca -0.26 2.46 0.30 0.00 0.43 0.00 0.00 52.55 55.48 2k5g s ASP 40 Cb 0.06 -2.53 1.40 0.00 -0.30 0.00 0.00 42.92 41.55 2k5g s ASP 40 CO 0.47 -1.13 2.02 0.00 -0.17 0.00 0.00 175.17 176.35 2k5g h ALA 41 N 10.87 1.13 0.61 3.66 0.00 -1.88 -1.23 119.26 132.42 2k5g h ALA 41 Ca -0.46 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 2k5g h ALA 41 Cb 1.22 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.00 2k5g h ALA 41 CO 0.95 0.14 -0.29 0.22 0.00 0.00 0.00 179.25 180.26 2k5g h ASP 42 N 0.00 -0.69 0.33 0.00 3.58 -1.93 -2.38 116.42 115.32 2k5g h ASP 42 Ca -0.00 0.02 -0.16 0.00 0.42 0.00 0.00 57.03 57.32 2k5g h ASP 42 Cb 0.44 0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.66 2k5g h ASP 42 CO 0.01 -0.39 -0.64 0.07 -2.88 0.00 0.00 179.24 175.41 2k5g h LYS 43 N -1.02 0.29 0.00 0.28 2.10 -1.90 -2.73 116.57 113.59 2k5g h LYS 43 Ca -0.08 -0.21 -0.00 0.00 -2.00 0.00 0.00 60.65 58.35 2k5g h LYS 43 Cb 0.63 0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 31.99 2k5g h LYS 43 CO 0.14 0.83 -0.02 -0.09 -2.00 0.00 0.00 179.45 178.31 2k5g h ARG 44 N 0.21 0.00 0.00 0.07 2.43 -1.28 0.95 114.38 116.76 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 1.16 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 2k5g h ARG 44 CO 0.10 0.02 0.00 0.00 -1.51 0.00 0.00 179.97 178.58 2k5g h ALA 45 N 1.98 1.00 -0.10 2.80 0.00 -1.09 0.15 119.26 124.00 2k5g h ALA 45 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k5g h ALA 45 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2k5g h ALA 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 2k5g n ARG 46 N -2.79 1.19 0.00 0.00 1.74 0.28 -4.18 116.66 112.90 2k5g n ARG 46 Ca 0.03 -1.31 0.00 0.00 -0.77 0.00 0.00 57.85 55.80 2k5g n ARG 46 Cb 0.40 -1.16 0.00 0.00 -1.02 0.00 0.00 32.46 30.69 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 0.32 0.00 0.00 -1.55 4.27 -0.88 -4.88 117.44 114.71 2k5g n TRP 47 Ca 0.06 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.67 2k5g n TRP 47 Cb 0.26 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.21 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 -0.86 0.00 0.00 5.67 7.94 -0.02 -4.45 117.00 125.28 2k5g n LEU 48 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2k5g n LEU 48 Cb 0.01 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.96 2k5g n LEU 48 CO 0.00 -0.38 0.00 0.00 -1.11 0.00 0.00 177.39 175.90 2k5g n ALA 49 N -2.13 0.00 0.00 1.96 0.00 0.33 -4.35 120.51 116.32 2k5g n ALA 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k5g n ALA 49 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2k5g n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5g n GLY 50 N -0.76 1.95 0.00 0.00 0.00 -0.94 -4.39 105.19 101.05 2k5g n GLY 50 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.67 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 2.62 3.73 0.13 -0.02 0.00 -1.26 -1.60 105.19 108.78 2k5g n GLY 51 Ca 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.99 0.52 -4.31 1.61 1.02 -1.23 -4.52 120.64 112.73 2k5g n GLU 52 Ca 0.00 -0.09 -0.29 0.00 -0.02 0.00 0.00 57.16 56.76 2k5g n GLU 52 Cb 0.00 -0.02 -0.11 0.00 -0.02 0.00 0.00 31.44 31.28 2k5g n GLU 52 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k5g s LEU 53 N 0.00 2.71 0.00 -4.62 1.43 -1.26 -4.43 118.68 112.51 2k5g s LEU 53 Ca 0.02 -0.57 -0.14 0.00 -1.03 0.00 0.00 54.13 52.41 2k5g s LEU 53 Cb -0.00 -1.54 0.18 0.00 0.03 0.00 0.00 46.19 44.87 2k5g s LEU 53 CO 0.01 0.17 1.09 -0.81 0.23 0.00 0.00 176.35 177.04 2k5g n PRO 54 N 0.72 -1.07 -0.02 1.29 -0.04 -1.26 -5.02 135.00 129.60 2k5g n PRO 54 Ca -0.15 -1.68 -0.12 0.00 -0.04 0.00 0.00 63.50 61.51 2k5g n PRO 54 Cb 0.53 -1.12 -0.14 0.00 -0.04 0.00 0.00 33.50 32.73 2k5g n PRO 54 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k5g n ARG 55 N -3.31 0.66 -4.55 0.54 1.74 -1.26 -4.90 116.66 105.58 2k5g n ARG 55 Ca 0.14 0.29 -0.31 0.00 -0.77 0.00 0.00 57.85 57.19 2k5g n ARG 55 Cb 0.47 -1.77 -0.12 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 -2.59 2.28 -0.23 5.56 -0.21 -1.26 -5.08 119.66 118.14 2k5g s GLN 56 Ca -0.09 -0.87 -0.29 0.00 0.02 0.00 0.00 55.36 54.13 2k5g s GLN 56 Cb 0.08 -2.33 -0.03 0.00 1.00 0.00 0.00 33.01 31.73 2k5g s GLN 56 CO 0.81 0.56 1.65 -2.14 -2.12 0.00 0.00 175.29 174.05 2k5g s PRO 57 N -1.48 3.75 0.00 2.91 0.02 -1.26 -2.30 135.00 136.64 2k5g s PRO 57 Ca 0.16 1.66 0.00 0.00 0.02 0.00 0.00 61.00 62.85 2k5g s PRO 57 Cb -0.11 -4.06 0.00 0.00 0.02 0.00 0.00 34.50 30.35 2k5g s PRO 57 CO 0.07 -1.35 0.00 0.41 -0.33 0.00 0.00 177.00 175.80 2k5g n GLY 58 N 4.74 1.01 3.95 0.52 0.00 -1.16 -4.99 105.19 109.27 2k5g n GLY 58 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.25 1.45 -0.13 1.61 -0.21 -0.97 -4.76 119.66 116.39 2k5g s GLN 59 Ca 0.00 -0.64 -0.05 0.00 0.02 0.00 0.00 55.36 54.69 2k5g s GLN 59 Cb 0.00 -2.12 -0.04 0.00 1.00 0.00 0.00 33.01 31.85 2k5g s GLN 59 CO 0.00 -1.73 0.06 0.95 -2.12 0.00 0.00 175.29 172.45 2k5g s THR 60 N -3.43 4.84 0.32 -0.19 -4.23 -1.26 -2.01 115.64 109.68 2k5g s THR 60 Ca 0.67 -0.03 0.09 0.00 -1.18 0.00 0.00 61.69 61.24 2k5g s THR 60 Cb -0.06 -3.11 -0.04 0.00 1.34 0.00 0.00 72.50 70.63 2k5g s THR 60 CO 0.47 0.56 0.09 0.72 -0.54 0.00 0.00 174.62 175.93 2k5g s PHE 61 N -0.54 2.69 -0.32 3.99 -0.71 0.75 -4.73 117.98 119.12 2k5g s PHE 61 Ca 0.11 -0.34 -0.11 0.00 -1.04 0.00 0.00 56.93 55.54 2k5g s PHE 61 Cb -0.12 -1.50 -0.02 0.00 -1.21 0.00 0.00 43.02 40.18 2k5g s PHE 61 CO 0.02 0.44 0.19 -1.21 -1.34 0.00 0.00 175.22 173.32 2k5g s GLU 62 N -3.78 3.52 0.12 1.99 2.02 -1.26 -0.52 118.70 120.78 2k5g s GLU 62 Ca 0.35 -0.61 0.09 0.00 0.02 0.00 0.00 54.97 54.82 2k5g s GLU 62 Cb -0.03 -3.68 -0.04 0.00 0.10 0.00 0.00 34.13 30.48 2k5g s GLU 62 CO 0.21 -0.38 -0.22 -1.17 0.02 0.00 0.00 175.26 173.72 2k5g s LEU 63 N 1.68 2.32 -0.57 1.80 2.96 -0.62 -3.58 118.68 122.68 2k5g s LEU 63 Ca 0.06 -0.72 -0.28 0.00 -0.22 0.00 0.00 54.13 52.96 2k5g s LEU 63 Cb -0.17 -0.98 0.03 0.00 0.50 0.00 0.00 46.19 45.57 2k5g s LEU 63 CO 0.09 0.08 1.21 -1.00 -1.32 0.00 0.00 176.35 175.41 2k5g s HIS 64 N -1.21 2.59 -0.51 5.38 3.76 -0.63 -0.28 115.29 124.39 2k5g s HIS 64 Ca 0.09 0.44 -0.18 0.00 -0.15 0.00 0.00 55.06 55.26 2k5g s HIS 64 Cb -0.10 -4.51 0.06 0.00 1.11 0.00 0.00 32.58 29.15 2k5g s HIS 64 CO 0.05 -1.60 0.59 0.12 -0.85 0.00 0.00 174.74 173.05 2k5g s PHE 65 N 5.01 3.08 0.00 1.40 5.36 0.23 -4.58 117.98 128.48 2k5g s PHE 65 Ca 0.44 -0.63 0.00 0.00 -0.96 0.00 0.00 56.93 55.78 2k5g s PHE 65 Cb -0.08 -3.50 0.00 0.00 -0.34 0.00 0.00 43.02 39.10 2k5g s PHE 65 CO 0.26 -1.01 0.35 0.27 -1.46 0.00 0.00 175.22 173.63 2k5g n ASN 66 N 6.01 0.00 0.00 6.13 0.23 -1.26 -4.24 115.26 122.13 2k5g n ASN 66 Ca -0.08 -0.71 0.00 0.00 -0.53 0.00 0.00 54.58 53.26 2k5g n ASN 66 Cb 0.45 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 2k5g n ASN 66 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 2k5g n HIS 67 N 0.00 0.00 0.00 -2.53 8.25 -1.26 -4.51 115.22 115.17 2k5g n HIS 67 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2k5g n HIS 67 Cb 0.36 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.47 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 0.00 0.00 -0.86 -1.41 0.00 -1.26 -4.81 120.51 112.16 2k5g n ALA 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k5g n ALA 68 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.84 0.00 0.18 0.00 0.00 -1.26 -4.64 120.51 112.94 2k5g n ALA 69 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2k5g n ALA 69 Cb 0.00 -0.87 0.26 0.00 0.00 0.00 0.00 19.45 18.85 2k5g n ALA 69 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2k5g h LEU 70 N 0.00 0.00 -7.00 0.00 8.10 -1.88 -3.46 115.31 111.07 2k5g h LEU 70 Ca 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.94 2k5g h LEU 70 Cb 0.39 0.00 -0.19 0.00 -0.44 0.00 0.00 40.66 40.42 2k5g h LEU 70 CO 0.00 0.42 0.20 0.28 -4.11 0.00 0.00 178.44 175.23 2k5g s THR 71 N -3.46 0.00 -0.47 0.15 -1.32 -1.26 -4.94 115.64 104.34 2k5g s THR 71 Ca 0.01 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.55 2k5g s THR 71 Cb 0.10 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.27 2k5g s THR 71 CO 0.70 0.00 0.58 0.00 -2.21 0.00 0.00 174.62 173.69 2k5g s ALA 72 N -0.99 -0.82 0.28 11.08 0.00 -1.26 -4.98 121.76 125.07 2k5g s ALA 72 Ca -0.09 -1.15 -0.02 0.00 0.00 0.00 0.00 51.96 50.70 2k5g s ALA 72 Cb -0.01 -2.30 0.44 0.00 0.00 0.00 0.00 23.12 21.25 2k5g s ALA 72 CO 0.08 -2.14 1.90 0.93 0.00 0.00 0.00 175.76 176.53 2k5g h GLU 73 N 5.32 1.11 -2.64 0.00 3.07 -1.97 -3.40 114.58 116.07 2k5g h GLU 73 Ca 0.13 -0.07 -0.13 0.00 -0.50 0.00 0.00 59.36 58.79 2k5g h GLU 73 Cb 1.04 -0.25 -0.29 0.00 -0.84 0.00 0.00 28.75 28.41 2k5g h GLU 73 CO 0.14 0.73 -0.41 0.99 -1.40 0.00 0.00 179.01 179.07 2k5g s THR 74 N -6.00 -0.49 -0.48 1.13 2.01 -1.26 -5.10 115.64 105.45 2k5g s THR 74 Ca -0.12 0.19 0.03 0.00 0.31 0.00 0.00 61.69 62.10 2k5g s THR 74 Cb 0.20 -0.59 0.16 0.00 0.01 0.00 0.00 72.50 72.28 2k5g s THR 74 CO 0.81 0.08 0.35 0.00 -0.69 0.00 0.00 174.62 175.16 2k5g s ALA 75 N 2.36 2.10 -0.95 7.40 0.00 -1.26 -4.92 121.76 126.49 2k5g s ALA 75 Ca -0.02 -2.77 -0.24 0.00 0.00 0.00 0.00 51.96 48.93 2k5g s ALA 75 Cb -0.11 -1.79 0.01 0.00 0.00 0.00 0.00 23.12 21.22 2k5g s ALA 75 CO -0.11 -2.03 1.66 -1.25 0.00 0.00 0.00 175.76 174.02 2k5g s PRO 76 N -0.16 3.12 0.00 0.00 0.04 -1.26 -3.92 135.00 132.82 2k5g s PRO 76 Ca 0.26 -0.70 0.00 0.00 0.04 0.00 0.00 61.00 60.61 2k5g s PRO 76 Cb -0.06 -5.17 0.00 0.00 0.04 0.00 0.00 34.50 29.31 2k5g s PRO 76 CO -0.13 -2.70 0.00 0.00 0.04 0.00 0.00 177.00 174.20 2k5g n ALA 77 N 11.11 0.00 0.06 8.56 0.00 -1.26 -4.22 120.51 134.77 2k5g n ALA 77 Ca 0.35 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.93 2k5g n ALA 77 Cb 0.49 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.57 2k5g n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k5g h ARG 78 N 0.00 0.10 0.00 0.00 3.08 -2.02 -1.05 114.38 114.50 2k5g h ARG 78 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2k5g h ARG 78 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.03 2k5g h ARG 78 CO 0.00 0.07 -1.36 0.66 -1.07 0.00 0.00 179.97 178.27 2k5g n TYR 79 N -4.45 0.00 0.11 3.04 4.01 -1.26 -4.38 117.16 114.23 2k5g n TYR 79 Ca 0.06 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.78 2k5g n TYR 79 Cb 0.38 -0.23 -0.01 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 h ALA 80 N 1.81 0.57 0.00 -0.72 0.00 -1.33 -3.20 119.26 116.38 2k5g h ALA 80 Ca 0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 54.91 54.21 2k5g h ALA 80 Cb 0.60 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2k5g h ALA 80 CO 0.00 0.91 -0.17 -0.56 0.00 0.00 0.00 179.25 179.42 2k5g h GLN 81 N 0.00 0.00 -0.38 0.00 3.07 -1.60 -2.11 115.11 114.08 2k5g h GLN 81 Ca -0.01 0.00 -0.25 0.00 0.09 0.00 0.00 58.65 58.48 2k5g h GLN 81 Cb 1.50 0.00 -0.17 0.00 0.08 0.00 0.00 27.48 28.89 2k5g h GLN 81 CO 0.09 0.17 -0.36 2.48 0.09 0.00 0.00 178.83 181.31 2k5g n TYR 82 N -4.01 1.31 1.47 0.06 0.18 -1.22 -4.57 117.16 110.38 2k5g n TYR 82 Ca -0.02 -1.83 0.10 0.00 1.88 0.00 0.00 57.90 58.03 2k5g n TYR 82 Cb 0.26 -0.43 0.61 0.00 -0.38 0.00 0.00 39.34 39.39 2k5g n TYR 82 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 2k5g n ASP 83 N -1.00 0.00 -4.83 9.48 2.03 -0.80 -4.53 116.55 116.90 2k5g n ASP 83 Ca 0.33 -0.83 -0.35 0.00 0.52 0.00 0.00 54.79 54.47 2k5g n ASP 83 Cb 0.89 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 41.22 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 -2.00 3.26 -0.26 -0.67 0.52 -1.26 -4.85 118.95 113.69 2k5g s ARG 84 Ca 0.31 -0.32 -0.29 0.00 -0.52 0.00 0.00 55.73 54.91 2k5g s ARG 84 Cb 0.14 -3.01 -0.00 0.00 0.52 0.00 0.00 34.95 32.60 2k5g s ARG 84 CO 0.24 0.71 1.27 -2.14 0.02 0.00 0.00 175.30 175.39 2k5g s PRO 85 N -1.42 4.02 -0.23 3.54 0.02 -1.26 -4.85 135.00 134.82 2k5g s PRO 85 Ca 0.20 1.36 -0.07 0.00 0.02 0.00 0.00 61.00 62.50 2k5g s PRO 85 Cb -0.12 -3.83 -0.03 0.00 0.02 0.00 0.00 34.50 30.53 2k5g s PRO 85 CO 0.10 -0.98 0.07 0.42 -0.33 0.00 0.00 177.00 176.29 2k5g s ILE 86 N 4.05 4.51 -0.41 2.83 1.01 -1.26 -4.98 121.20 126.96 2k5g s ILE 86 Ca 0.55 -0.11 -0.27 0.00 0.00 0.00 0.00 60.65 60.82 2k5g s ILE 86 Cb -0.18 -3.09 0.02 0.00 0.01 0.00 0.00 42.46 39.23 2k5g s ILE 86 CO 0.20 0.37 0.99 -0.69 0.00 0.00 0.00 174.94 175.80 2k5g s VAL 87 N 1.22 4.47 -0.08 2.92 1.01 -1.26 0.77 120.40 129.44 2k5g s VAL 87 Ca 0.05 1.16 0.02 0.00 0.00 0.00 0.00 61.98 63.21 2k5g s VAL 87 Cb -0.14 -4.42 0.01 0.00 0.00 0.00 0.00 36.38 31.83 2k5g s VAL 87 CO 0.04 -0.69 -0.14 0.00 0.00 0.00 0.00 175.10 174.30 2k5g s ALA 88 N 3.76 1.47 0.22 5.51 0.00 0.61 -4.92 121.76 128.42 2k5g s ALA 88 Ca 0.41 -0.56 -0.24 0.00 0.00 0.00 0.00 51.96 51.57 2k5g s ALA 88 Cb -0.11 -0.69 -0.09 0.00 0.00 0.00 0.00 23.12 22.24 2k5g s ALA 88 CO 0.23 0.04 0.80 -0.98 0.00 0.00 0.00 175.76 175.85 2k5g s ARG 89 N 0.79 4.47 0.02 0.00 1.70 -1.26 -1.58 118.95 123.10 2k5g s ARG 89 Ca -0.11 1.10 0.00 0.00 -0.47 0.00 0.00 55.73 56.25 2k5g s ARG 89 Cb -0.16 -3.03 -0.02 0.00 -0.57 0.00 0.00 34.95 31.18 2k5g s ARG 89 CO 0.02 0.44 -0.03 -1.01 -1.08 0.00 0.00 175.30 173.64 2k5g s HIS 90 N -1.39 0.29 0.29 5.89 3.76 0.32 -4.90 115.29 119.55 2k5g s HIS 90 Ca 0.42 -0.48 -0.28 0.00 -0.15 0.00 0.00 55.06 54.57 2k5g s HIS 90 Cb -0.20 -0.20 -0.09 0.00 1.11 0.00 0.00 32.58 33.20 2k5g s HIS 90 CO 0.24 -0.16 0.95 0.99 -0.85 0.00 0.00 174.74 175.91 2k5g s THR 91 N -1.31 4.11 0.38 1.30 2.01 -1.26 -0.18 115.64 120.69 2k5g s THR 91 Ca -0.14 1.92 0.08 0.00 0.31 0.00 0.00 61.69 63.86 2k5g s THR 91 Cb -0.09 -4.14 -0.03 0.00 0.01 0.00 0.00 72.50 68.25 2k5g s THR 91 CO -0.01 0.30 0.29 -1.48 -0.69 0.00 0.00 174.62 173.04 2k5g s LEU 92 N -1.67 3.39 0.00 4.42 2.34 -0.85 -0.89 118.68 125.43 2k5g s LEU 92 Ca 0.46 -0.72 0.00 0.00 0.06 0.00 0.00 54.13 53.93 2k5g s LEU 92 Cb -0.22 -1.97 0.00 0.00 -0.56 0.00 0.00 46.19 43.43 2k5g s LEU 92 CO 0.28 -0.50 0.00 -0.11 -1.06 0.00 0.00 176.35 174.96 2k5g n LEU 93 N -1.40 0.13 -4.09 1.48 -0.00 0.96 -2.99 117.00 111.09 2k5g n LEU 93 Ca 0.00 0.01 -0.10 0.00 -0.00 0.00 0.00 56.01 55.92 2k5g n LEU 93 Cb 0.61 -0.10 -0.07 0.00 -0.00 0.00 0.00 43.42 43.86 2k5g n LEU 93 CO 0.43 -0.10 -0.01 0.00 -0.00 0.00 0.00 177.39 177.71 2k5g s ARG 94 N -0.20 1.40 -0.29 1.96 1.04 -1.20 -3.57 118.95 118.09 2k5g s ARG 94 Ca 0.00 -1.43 -0.00 0.00 -1.04 0.00 0.00 55.73 53.26 2k5g s ARG 94 Cb 0.00 0.38 0.18 0.00 -2.04 0.00 0.00 34.95 33.47 2k5g s ARG 94 CO 0.00 -0.53 0.56 0.00 -0.04 0.00 0.00 175.30 175.29 2k5g s GLU 96 N 2.81 2.91 0.23 0.00 8.01 0.12 -4.97 118.70 127.79 2k5g s GLU 96 Ca 0.18 -2.60 -0.30 0.00 0.01 0.00 0.00 54.97 52.26 2k5g s GLU 96 Cb -0.14 -3.93 -0.09 0.00 -4.31 0.00 0.00 34.13 25.66 2k5g s GLU 96 CO -0.21 -1.21 1.15 -2.14 0.01 0.00 0.00 175.26 172.85 2k5g s PRO 97 N -0.16 4.56 -0.45 0.39 0.02 -1.26 -1.14 135.00 136.97 2k5g s PRO 97 Ca 0.18 1.84 -0.12 0.00 0.02 0.00 0.00 61.00 62.92 2k5g s PRO 97 Cb -0.17 -3.22 0.08 0.00 0.02 0.00 0.00 34.50 31.21 2k5g s PRO 97 CO -0.05 0.05 0.33 -1.25 -0.33 0.00 0.00 177.00 175.75 2k5g s PRO 98 N -0.79 2.79 0.01 5.54 0.04 -1.26 -5.03 135.00 136.30 2k5g s PRO 98 Ca 0.49 -1.42 0.00 0.00 0.04 0.00 0.00 61.00 60.11 2k5g s PRO 98 Cb -0.32 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.26 2k5g s PRO 98 CO 0.39 -1.00 0.00 -2.13 0.04 0.00 0.00 177.00 174.30 2k5g n ARG 99 N 5.06 0.00 -4.64 4.56 3.00 -0.29 -4.84 116.66 119.51 2k5g n ARG 99 Ca -0.11 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.51 2k5g n ARG 99 Cb 0.43 0.00 -0.15 0.00 0.00 0.00 0.00 32.46 32.74 2k5g n ARG 99 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2k5g s VAL 100 N -1.01 1.12 0.03 5.15 1.01 -1.10 -1.45 120.40 124.14 2k5g s VAL 100 Ca 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.42 2k5g s VAL 100 Cb 0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 2k5g s VAL 100 CO 0.00 0.32 -0.05 -1.48 0.00 0.00 0.00 175.10 173.89 2k5g s LEU 101 N -0.12 2.20 -0.03 3.92 0.05 -0.35 0.11 118.68 124.46 2k5g s LEU 101 Ca 0.01 -0.43 -0.04 0.00 0.05 0.00 0.00 54.13 53.72 2k5g s LEU 101 Cb -0.08 -0.08 0.01 0.00 -2.05 0.00 0.00 46.19 43.99 2k5g s LEU 101 CO 0.00 -0.18 0.11 0.00 -0.55 0.00 0.00 176.35 175.73 2k5g s ALA 102 N -1.12 -0.26 0.34 1.48 0.00 0.16 -0.10 121.76 122.27 2k5g s ALA 102 Ca -0.09 0.15 -0.03 0.00 0.00 0.00 0.00 51.96 51.99 2k5g s ALA 102 Cb -0.08 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 22.95 2k5g s ALA 102 CO -0.00 -0.09 0.51 1.47 0.00 0.00 0.00 175.76 177.64 2k5g n LEU 103 N 2.58 0.00 -4.43 0.00 -0.00 -0.13 -0.03 117.00 115.00 2k5g n LEU 103 Ca -0.15 -2.71 -0.30 0.00 -0.00 0.00 0.00 56.01 52.85 2k5g n LEU 103 Cb 0.58 2.60 -0.13 0.00 -0.00 0.00 0.00 43.42 46.47 2k5g n LEU 103 CO 0.22 -0.65 -0.51 0.42 -0.00 0.00 0.00 177.39 176.86 2k5g s THR 104 N -2.72 2.61 -0.01 1.47 -4.23 -0.07 0.10 115.64 112.79 2k5g s THR 104 Ca 0.26 -1.29 0.01 0.00 -1.18 0.00 0.00 61.69 59.49 2k5g s THR 104 Cb -0.01 -2.09 0.01 0.00 1.34 0.00 0.00 72.50 71.74 2k5g s THR 104 CO 0.19 0.31 -0.03 0.86 -0.54 0.00 0.00 174.62 175.41 2k5g s TRP 105 N -0.92 0.43 0.00 3.99 -0.11 0.18 -4.69 118.94 117.82 2k5g s TRP 105 Ca 0.14 -0.08 0.00 0.00 1.22 0.00 0.00 56.10 57.39 2k5g s TRP 105 Cb -0.10 -0.35 0.00 0.00 -1.50 0.00 0.00 33.47 31.52 2k5g s TRP 105 CO 0.05 -0.06 0.00 0.41 -4.62 0.00 0.00 176.95 172.73 2k5g n GLY 106 N 3.39 0.35 0.00 5.86 0.00 -1.26 -0.98 105.19 112.54 2k5g n GLY 106 Ca -0.18 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.20 2k5g n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5g n GLY 107 N 0.00 0.70 3.55 -0.02 0.00 -1.26 -4.72 105.19 103.44 2k5g n GLY 107 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2k5g n GLY 107 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k5g s GLY 108 N -0.70 0.94 0.09 -0.02 0.00 -1.26 -4.76 107.32 101.61 2k5g s GLY 108 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.19 2k5g s GLY 108 CO 0.00 2.67 0.00 0.00 0.00 0.00 0.00 173.10 175.77 2k5g n ALA 109 N 9.36 -0.96 -0.42 3.20 0.00 -1.26 -5.02 120.51 125.41 2k5g n ALA 109 Ca 0.09 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2k5g n ALA 109 Cb 0.49 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.61 2k5g n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5g n GLY 110 N -1.93 0.47 3.06 0.00 0.00 -1.26 -4.69 105.19 100.84 2k5g n GLY 110 Ca 0.00 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.86 2k5g n GLY 110 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k5g s GLU 111 N 0.00 2.41 0.58 1.61 8.01 -1.26 -5.06 118.70 124.99 2k5g s GLU 111 Ca 0.00 -0.62 0.00 0.00 0.01 0.00 0.00 54.97 54.36 2k5g s GLU 111 Cb 0.00 -2.09 0.00 0.00 -4.31 0.00 0.00 34.13 27.73 2k5g s GLU 111 CO 0.00 -0.13 0.00 0.00 0.01 0.00 0.00 175.26 175.14 2k5g n ALA 112 N 4.41 -2.47 -1.80 5.21 0.00 -1.26 -4.90 120.51 119.71 2k5g n ALA 112 Ca -0.19 0.61 -0.33 0.00 0.00 0.00 0.00 53.44 53.53 2k5g n ALA 112 Cb 0.51 -1.45 -0.04 0.00 0.00 0.00 0.00 19.45 18.46 2k5g n ALA 112 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2k5g s PRO 113 N -4.99 3.92 1.13 0.00 0.04 -1.26 -4.43 135.00 129.40 2k5g s PRO 113 Ca 0.00 1.17 -0.19 0.00 0.04 0.00 0.00 61.00 62.02 2k5g s PRO 113 Cb 0.00 -2.12 0.27 0.00 0.04 0.00 0.00 34.50 32.68 2k5g s PRO 113 CO 0.00 -0.31 1.21 -1.12 0.04 0.00 0.00 177.00 176.82 2k5g s SER 114 N -2.39 1.57 0.06 6.66 0.01 -0.15 -4.79 113.70 114.67 2k5g s SER 114 Ca 0.63 0.40 0.05 0.00 1.31 0.00 0.00 55.95 58.34 2k5g s SER 114 Cb -0.12 -0.49 -0.03 0.00 0.21 0.00 0.00 66.02 65.59 2k5g s SER 114 CO 0.22 -3.70 -0.14 -0.70 0.41 0.00 0.00 173.24 169.33 2k5g s GLU 115 N -5.67 0.86 -0.10 12.44 2.12 -0.11 0.50 118.70 128.74 2k5g s GLU 115 Ca 0.73 -0.86 0.02 0.00 0.36 0.00 0.00 54.97 55.23 2k5g s GLU 115 Cb -0.06 -0.86 0.01 0.00 0.26 0.00 0.00 34.13 33.48 2k5g s GLU 115 CO 0.55 0.20 -0.17 0.08 -0.54 0.00 0.00 175.26 175.38 2k5g s VAL 116 N -1.08 1.58 -0.21 3.70 1.01 0.28 0.45 120.40 126.12 2k5g s VAL 116 Ca -0.01 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 2k5g s VAL 116 Cb -0.09 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.85 2k5g s VAL 116 CO 0.02 0.45 0.02 -0.22 0.00 0.00 0.00 175.10 175.37 2k5g s LEU 117 N 0.76 3.28 -0.28 3.92 1.98 0.24 -0.95 118.68 127.63 2k5g s LEU 117 Ca -0.11 -0.21 -0.09 0.00 -2.89 0.00 0.00 54.13 50.82 2k5g s LEU 117 Cb -0.16 -1.85 -0.03 0.00 0.66 0.00 0.00 46.19 44.82 2k5g s LEU 117 CO 0.02 0.03 0.14 -0.36 -1.89 0.00 0.00 176.35 174.29 2k5g s PHE 118 N 1.18 3.16 -0.23 5.38 0.08 0.86 -1.21 117.98 127.21 2k5g s PHE 118 Ca 0.03 -0.29 0.01 0.00 0.12 0.00 0.00 56.93 56.80 2k5g s PHE 118 Cb -0.14 -2.33 0.06 0.00 -0.57 0.00 0.00 43.02 40.04 2k5g s PHE 118 CO 0.02 -0.33 -0.06 -1.21 -0.10 0.00 0.00 175.22 173.54 2k5g s GLU 119 N 1.66 1.70 -0.20 0.44 2.02 -1.05 -1.21 118.70 122.07 2k5g s GLU 119 Ca 0.06 -0.96 -0.08 0.00 0.02 0.00 0.00 54.97 54.02 2k5g s GLU 119 Cb -0.16 -2.54 -0.04 0.00 0.10 0.00 0.00 34.13 31.48 2k5g s GLU 119 CO 0.07 -0.56 0.07 -0.51 0.02 0.00 0.00 175.26 174.35 2k5g s LEU 120 N 1.40 3.80 0.04 1.80 1.43 -0.53 -1.01 118.68 125.60 2k5g s LEU 120 Ca -0.05 0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.13 2k5g s LEU 120 Cb -0.18 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 2k5g s LEU 120 CO -0.07 0.14 -0.02 -0.44 0.23 0.00 0.00 176.35 176.19 2k5g s SER 121 N 0.59 4.93 -0.16 2.29 0.01 -0.21 -4.74 113.70 116.41 2k5g s SER 121 Ca 0.04 -0.12 -0.10 0.00 1.31 0.00 0.00 55.95 57.08 2k5g s SER 121 Cb -0.13 -1.20 -0.05 0.00 0.21 0.00 0.00 66.02 64.86 2k5g s SER 121 CO 0.01 0.24 0.18 -1.83 0.41 0.00 0.00 173.24 172.25 2k5g s GLU 122 N -1.81 4.00 -0.47 12.44 -1.05 -1.26 -1.60 118.70 128.95 2k5g s GLU 122 Ca 0.21 -0.11 0.08 0.00 -0.15 0.00 0.00 54.97 55.01 2k5g s GLU 122 Cb -0.11 -3.35 0.28 0.00 -0.44 0.00 0.00 34.13 30.51 2k5g s GLU 122 CO 0.12 0.43 0.67 0.00 0.95 0.00 0.00 175.26 177.44 2k5g n ALA 123 N 3.05 2.99 -0.47 -0.84 0.00 0.97 -4.97 120.51 121.24 2k5g n ALA 123 Ca -0.16 -3.88 0.00 0.00 0.00 0.00 0.00 53.44 49.40 2k5g n ALA 123 Cb 0.53 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 0.82 1.35 1.52 0.00 0.00 -1.26 -1.29 105.19 106.32 2k5g n GLY 124 Ca 0.25 0.17 0.09 0.00 0.00 0.00 0.00 46.02 46.53 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 3.85 -4.39 1.61 1.02 -1.26 -3.86 120.64 117.60 2k5g n GLU 125 Ca 0.00 -2.90 -0.21 0.00 -0.02 0.00 0.00 57.16 54.03 2k5g n GLU 125 Cb 0.00 -1.93 -0.10 0.00 -0.02 0.00 0.00 31.44 29.39 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 -2.10 1.46 -0.13 3.49 -0.21 -0.41 -0.49 119.66 121.26 2k5g s GLN 126 Ca 0.49 -1.63 -0.04 0.00 0.02 0.00 0.00 55.36 54.20 2k5g s GLN 126 Cb 0.34 -1.40 0.05 0.00 1.00 0.00 0.00 33.01 33.00 2k5g s GLN 126 CO 0.21 0.25 0.08 0.08 -2.12 0.00 0.00 175.29 173.78 2k5g s VAL 127 N -2.67 -0.04 -0.18 1.09 1.01 0.76 -0.02 120.40 120.34 2k5g s VAL 127 Ca 0.24 -0.02 -0.23 0.00 0.00 0.00 0.00 61.98 61.97 2k5g s VAL 127 Cb -0.03 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.84 2k5g s VAL 127 CO 0.10 -0.14 0.71 0.00 0.00 0.00 0.00 175.10 175.77 2k5g s ARG 128 N 2.13 4.26 -0.22 2.72 1.70 -0.63 -0.14 118.95 128.77 2k5g s ARG 128 Ca 0.03 0.79 -0.08 0.00 -0.47 0.00 0.00 55.73 55.99 2k5g s ARG 128 Cb -0.15 -3.56 -0.04 0.00 -0.57 0.00 0.00 34.95 30.63 2k5g s ARG 128 CO -0.07 -0.25 0.10 -1.17 -1.08 0.00 0.00 175.30 172.83 2k5g s LEU 129 N 1.90 3.79 -0.33 -1.89 0.20 0.16 -1.04 118.68 121.47 2k5g s LEU 129 Ca 0.33 -0.00 -0.09 0.00 0.69 0.00 0.00 54.13 55.06 2k5g s LEU 129 Cb -0.16 -1.99 0.01 0.00 -0.43 0.00 0.00 46.19 43.62 2k5g s LEU 129 CO 0.12 0.08 0.14 -0.69 -0.29 0.00 0.00 176.35 175.70 2k5g s VAL 130 N 0.97 4.28 -0.55 1.68 1.01 -0.18 -0.32 120.40 127.28 2k5g s VAL 130 Ca 0.05 -0.72 -0.23 0.00 0.00 0.00 0.00 61.98 61.08 2k5g s VAL 130 Cb -0.14 -3.27 0.05 0.00 0.00 0.00 0.00 36.38 33.02 2k5g s VAL 130 CO 0.03 -0.04 0.88 -0.22 0.00 0.00 0.00 175.10 175.75 2k5g s LEU 131 N 1.53 4.30 -0.26 3.92 2.96 0.81 -2.52 118.68 129.43 2k5g s LEU 131 Ca 0.02 -0.53 -0.03 0.00 -0.22 0.00 0.00 54.13 53.37 2k5g s LEU 131 Cb -0.18 -2.71 0.02 0.00 0.50 0.00 0.00 46.19 43.82 2k5g s LEU 131 CO 0.05 -1.18 -0.02 -0.89 -1.32 0.00 0.00 176.35 172.98 2k5g s THR 132 N 3.70 3.25 -0.38 3.68 2.01 -0.35 -1.42 115.64 126.14 2k5g s THR 132 Ca 0.26 -0.84 -0.11 0.00 0.31 0.00 0.00 61.69 61.31 2k5g s THR 132 Cb -0.14 -2.63 0.03 0.00 0.01 0.00 0.00 72.50 69.77 2k5g s THR 132 CO 0.17 0.21 0.21 -2.28 -0.69 0.00 0.00 174.62 172.23 2k5g s HIS 133 N 1.40 3.25 0.47 4.92 2.46 0.11 0.82 115.29 128.72 2k5g s HIS 133 Ca 0.02 -1.05 0.08 0.00 0.47 0.00 0.00 55.06 54.58 2k5g s HIS 133 Cb -0.16 -2.47 0.02 0.00 -0.13 0.00 0.00 32.58 29.83 2k5g s HIS 133 CO -0.02 -0.67 0.49 0.95 -2.47 0.00 0.00 174.74 173.01 2k5g s THR 134 N 1.53 2.42 -1.49 0.89 -4.23 0.17 -3.08 115.64 111.86 2k5g s THR 134 Ca 0.02 -1.26 -0.03 0.00 -1.18 0.00 0.00 61.69 59.24 2k5g s THR 134 Cb -0.20 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 70.97 2k5g s THR 134 CO 0.06 0.00 0.37 -1.14 -0.54 0.00 0.00 174.62 173.37 2k5g n ARG 135 N -1.76 -3.49 -2.60 3.99 0.63 -1.26 -0.93 116.66 111.23 2k5g n ARG 135 Ca 0.05 0.86 -0.39 0.00 -0.92 0.00 0.00 57.85 57.45 2k5g n ARG 135 Cb 0.62 -5.50 -0.05 0.00 0.45 0.00 0.00 32.46 27.97 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 -5.89 4.51 -0.09 6.15 1.43 -1.26 -4.26 118.68 119.27 2k5g s LEU 136 Ca 0.18 2.09 -0.01 0.00 -1.03 0.00 0.00 54.13 55.37 2k5g s LEU 136 Cb -0.08 -3.74 -0.25 0.00 0.03 0.00 0.00 46.19 42.15 2k5g s LEU 136 CO 0.23 -0.09 0.49 0.00 0.23 0.00 0.00 176.35 177.21 2k5g h ALA 137 N 3.68 0.52 -2.61 4.21 0.00 -1.97 -3.50 119.26 119.59 2k5g h ALA 137 Ca -0.46 -1.40 0.13 0.00 0.00 0.00 0.00 54.91 53.19 2k5g h ALA 137 Cb 1.21 0.61 -0.07 0.00 0.00 0.00 0.00 17.79 19.54 2k5g h ALA 137 CO 0.66 1.38 0.38 0.34 0.00 0.00 0.00 179.25 182.02 2k5g s ASP 138 N -6.76 -0.21 0.57 0.00 2.15 -1.26 -5.00 116.67 106.17 2k5g s ASP 138 Ca -0.16 -0.49 0.26 0.00 0.43 0.00 0.00 52.55 52.59 2k5g s ASP 138 Cb 0.07 0.59 1.66 0.00 -0.30 0.00 0.00 42.92 44.94 2k5g s ASP 138 CO 0.79 -1.08 2.21 0.03 -0.17 0.00 0.00 175.17 176.95 2k5g h ARG 139 N 2.00 0.00 -0.20 4.34 2.47 -2.00 0.82 114.38 121.81 2k5g h ARG 139 Ca -0.22 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.49 2k5g h ARG 139 Cb 1.24 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.55 2k5g h ARG 139 CO 0.24 0.00 0.06 0.00 0.56 0.00 0.00 179.97 180.84 2k5g h ALA 140 N 1.97 1.74 0.16 0.04 0.00 -1.97 0.67 119.26 121.87 2k5g h ALA 140 Ca 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2k5g h ALA 140 Cb 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2k5g h ALA 140 CO -0.00 0.21 -0.08 0.00 0.00 0.00 0.00 179.25 179.38 2k5g h ALA 141 N 1.80 -0.21 -0.74 0.00 0.00 -1.22 0.25 119.26 119.13 2k5g h ALA 141 Ca 0.07 -0.19 0.16 0.00 0.00 0.00 0.00 54.91 54.95 2k5g h ALA 141 Cb 0.09 0.08 -0.11 0.00 0.00 0.00 0.00 17.79 17.85 2k5g h ALA 141 CO -0.01 -0.44 0.21 0.52 0.00 0.00 0.00 179.25 179.54 2k5g h MET 142 N -0.58 0.30 -0.09 0.00 2.07 -1.39 0.17 114.93 115.41 2k5g h MET 142 Ca -0.02 -0.02 -0.05 0.00 -2.07 0.00 0.00 59.70 57.54 2k5g h MET 142 Cb 0.44 -0.07 -0.01 0.00 -1.87 0.00 0.00 31.60 30.09 2k5g h MET 142 CO 0.04 0.20 -0.20 1.25 1.07 0.00 0.00 176.91 179.27 2k5g h LEU 143 N 0.31 0.14 -0.01 1.22 6.46 -0.61 0.91 115.31 123.72 2k5g h LEU 143 Ca 0.42 -0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 58.14 2k5g h LEU 143 Cb 0.70 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.59 2k5g h LEU 143 CO -0.49 0.35 -0.00 -0.78 -0.62 0.00 0.00 178.44 176.90 2k5g h ASP 144 N 0.14 0.01 1.54 1.25 3.58 0.24 -2.98 116.42 120.20 2k5g h ASP 144 Ca 0.03 -0.44 0.00 0.00 0.42 0.00 0.00 57.03 57.04 2k5g h ASP 144 Cb 0.43 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.48 2k5g h ASP 144 CO 0.03 0.45 0.00 -0.37 -2.88 0.00 0.00 179.24 176.46 2k5g h VAL 145 N -0.42 0.00 -0.14 2.25 -1.51 -1.20 -3.15 116.25 112.07 2k5g h VAL 145 Ca 0.00 -0.63 0.04 0.00 -1.23 0.00 0.00 66.70 64.87 2k5g h VAL 145 Cb 0.44 1.61 -0.04 0.00 -2.13 0.00 0.00 31.29 31.17 2k5g h VAL 145 CO 0.00 0.00 -0.09 0.00 -1.23 0.00 0.00 177.57 176.25 2k5g h ALA 146 N 2.28 0.03 -0.05 5.19 0.00 -0.66 0.23 119.26 126.27 2k5g h ALA 146 Ca 0.00 0.06 -0.68 0.00 0.00 0.00 0.00 54.91 54.29 2k5g h ALA 146 Cb 0.77 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2k5g h ALA 146 CO 0.00 -0.53 2.74 0.41 0.00 0.00 0.00 179.25 181.86 2k5g n GLY 147 N -1.23 3.58 0.00 0.00 0.00 -1.18 -3.60 105.19 102.75 2k5g n GLY 147 Ca -0.03 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 4.36 2.91 0.16 -0.02 0.00 -1.23 -4.95 105.19 106.42 2k5g n GLY 148 Ca 0.51 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 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 0.58 -0.59 1.61 2.91 -0.76 -3.17 115.95 116.53 2k5g h TRP 149 Ca 0.00 -0.20 0.12 0.00 1.13 0.00 0.00 58.89 59.93 2k5g h TRP 149 Cb 0.00 -0.11 -0.09 0.00 -0.51 0.00 0.00 29.16 28.45 2k5g h TRP 149 CO 0.00 0.91 0.07 1.25 -1.03 0.00 0.00 178.44 179.63 2k5g h HIS 150 N 0.09 0.09 -0.31 2.65 2.76 -1.26 -1.00 115.15 118.16 2k5g h HIS 150 Ca 0.01 0.04 0.09 0.00 -2.20 0.00 0.00 60.37 58.31 2k5g h HIS 150 Cb 0.86 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.86 2k5g h HIS 150 CO 0.10 -0.09 0.26 0.00 -1.30 0.00 0.00 177.93 176.89 2k5g h ALA 151 N 1.50 2.15 0.00 5.26 0.00 -1.74 -1.68 119.26 124.75 2k5g h ALA 151 Ca 0.31 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2k5g h ALA 151 Cb 0.48 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2k5g h ALA 151 CO -0.45 -0.42 -0.01 1.12 0.00 0.00 0.00 179.25 179.49 2k5g h HIS 152 N 0.00 0.00 -0.11 0.00 2.07 -1.24 -0.46 115.15 115.41 2k5g h HIS 152 Ca 0.15 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.61 2k5g h HIS 152 Cb 0.66 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.63 2k5g h HIS 152 CO 0.00 0.01 -0.21 -0.07 -3.07 0.00 0.00 177.93 174.60 2k5g h LEU 153 N 0.00 0.17 0.00 6.12 3.38 -1.46 -1.33 115.31 122.19 2k5g h LEU 153 Ca -0.00 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 2k5g h LEU 153 Cb 0.08 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2k5g h LEU 153 CO 0.00 0.39 -0.82 0.00 0.09 0.00 0.00 178.44 178.11 2k5g h ALA 154 N 1.63 0.59 0.05 1.53 0.00 -1.28 -3.13 119.26 118.64 2k5g h ALA 154 Ca 0.03 -0.67 -0.14 0.00 0.00 0.00 0.00 54.91 54.12 2k5g h ALA 154 Cb 0.47 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.24 2k5g h ALA 154 CO 0.03 0.87 -0.59 0.28 0.00 0.00 0.00 179.25 179.84 2k5g h VAL 155 N 0.00 1.49 -0.57 0.00 2.07 -1.27 -0.93 116.25 117.03 2k5g h VAL 155 Ca -0.04 -2.22 -0.11 0.00 0.82 0.00 0.00 66.70 65.15 2k5g h VAL 155 Cb 1.54 2.86 -0.02 0.00 -1.52 0.00 0.00 31.29 34.15 2k5g h VAL 155 CO 0.08 0.63 -0.07 0.17 0.02 0.00 0.00 177.57 178.40 2k5g h LEU 156 N -0.29 1.05 -0.22 2.57 8.10 -1.41 -0.60 115.31 124.51 2k5g h LEU 156 Ca -0.09 -0.33 -0.00 0.00 0.11 0.00 0.00 57.88 57.57 2k5g h LEU 156 Cb 1.36 -0.29 -0.01 0.00 -0.44 0.00 0.00 40.66 41.28 2k5g h LEU 156 CO 0.11 1.14 0.13 0.00 -4.11 0.00 0.00 178.44 175.71 2k5g h ALA 157 N 0.95 0.28 -0.76 0.17 0.00 -1.58 0.36 119.26 118.69 2k5g h ALA 157 Ca 0.15 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2k5g h ALA 157 Cb 0.64 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2k5g h ALA 157 CO 0.04 -0.20 0.47 0.78 0.00 0.00 0.00 179.25 180.34 2k5g h GLY 158 N 0.27 1.09 0.55 0.00 0.00 -0.92 0.22 103.07 104.27 2k5g h GLY 158 Ca 0.08 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 2k5g h GLY 158 CO -0.01 0.42 -0.02 0.50 0.00 0.00 0.00 176.54 177.43 2k5g h LYS 159 N 1.04 0.05 -0.28 4.80 6.56 -0.72 0.11 116.57 128.12 2k5g h LYS 159 Ca 0.27 -0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.83 2k5g h LYS 159 Cb -0.07 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.58 2k5g h LYS 159 CO -0.05 0.51 0.13 -0.07 -2.06 0.00 0.00 179.45 177.91 2k5g h LEU 160 N -0.42 0.33 -0.46 2.94 3.38 -0.03 -0.35 115.31 120.69 2k5g h LEU 160 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2k5g h LEU 160 Cb 0.50 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2k5g h LEU 160 CO 0.00 0.29 -0.15 0.00 0.09 0.00 0.00 178.44 178.67 2k5g n ALA 161 N -2.49 2.86 -3.53 1.53 0.00 0.04 -3.96 120.51 114.96 2k5g n ALA 161 Ca 0.01 -0.35 -0.22 0.00 0.00 0.00 0.00 53.44 52.88 2k5g n ALA 161 Cb 0.11 -1.23 0.08 0.00 0.00 0.00 0.00 19.45 18.41 2k5g n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5g n GLY 162 N 1.27 -0.46 3.99 0.00 0.00 -0.14 -0.12 105.19 109.73 2k5g n GLY 162 Ca 0.15 0.20 -0.22 0.00 0.00 0.00 0.00 46.02 46.14 2k5g n GLY 162 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k5g s GLN 163 N -6.14 2.24 0.64 1.61 -0.21 0.32 -4.63 119.66 113.49 2k5g s GLN 163 Ca 0.49 -1.82 -0.15 0.00 0.02 0.00 0.00 55.36 53.90 2k5g s GLN 163 Cb -0.22 -2.44 -0.01 0.00 1.00 0.00 0.00 33.01 31.34 2k5g s GLN 163 CO 0.70 -0.84 1.10 0.00 -2.12 0.00 0.00 175.29 174.13 2k5g s ALA 164 N -2.74 2.53 0.68 6.09 0.00 -1.26 -4.74 121.76 122.31 2k5g s ALA 164 Ca 0.52 0.53 -0.17 0.00 0.00 0.00 0.00 51.96 52.85 2k5g s ALA 164 Cb -0.04 -3.31 -0.00 0.00 0.00 0.00 0.00 23.12 19.77 2k5g s ALA 164 CO 0.33 -1.17 1.15 -2.30 0.00 0.00 0.00 175.76 173.77 2k5g n PRO 165 N -2.29 0.82 -2.51 0.00 -0.02 -1.26 -4.92 135.00 124.81 2k5g n PRO 165 Ca 0.10 0.34 -0.24 0.00 -2.02 0.00 0.00 63.50 61.68 2k5g n PRO 165 Cb 0.52 -2.39 0.04 0.00 -0.02 0.00 0.00 33.50 31.65 2k5g n PRO 165 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2k5g s PRO 166 N -3.35 2.65 -1.05 0.52 0.04 -1.26 -4.96 135.00 127.58 2k5g s PRO 166 Ca 0.79 -0.36 -0.24 0.00 0.04 0.00 0.00 61.00 61.22 2k5g s PRO 166 Cb -0.37 -2.35 -0.11 0.00 0.04 0.00 0.00 34.50 31.71 2k5g s PRO 166 CO 0.45 -0.78 2.03 -2.14 0.04 0.00 0.00 177.00 176.60 2k5g s PRO 167 N -4.93 2.12 0.42 0.56 0.02 -1.26 -4.93 135.00 127.01 2k5g s PRO 167 Ca 0.55 -0.62 -0.14 0.00 0.02 0.00 0.00 61.00 60.82 2k5g s PRO 167 Cb -0.10 -5.09 -0.08 0.00 0.02 0.00 0.00 34.50 29.24 2k5g s PRO 167 CO 0.42 -4.22 0.84 0.12 -0.33 0.00 0.00 177.00 173.82 2k5g s PHE 168 N 12.52 3.43 0.00 6.54 5.36 -1.26 -1.75 117.98 142.82 2k5g s PHE 168 Ca 0.74 1.24 0.00 0.00 -0.96 0.00 0.00 56.93 57.96 2k5g s PHE 168 Cb -0.04 -2.59 0.00 0.00 -0.34 0.00 0.00 43.02 40.04 2k5g s PHE 168 CO 0.10 -0.14 0.00 0.91 -1.46 0.00 0.00 175.22 174.63 2k5g n TRP 169 N -1.14 0.00 -0.17 10.12 5.03 -1.26 -4.42 117.44 125.60 2k5g n TRP 169 Ca 0.04 0.00 -0.00 0.00 3.03 0.00 0.00 57.50 60.57 2k5g n TRP 169 Cb 0.54 0.00 0.24 0.00 -1.03 0.00 0.00 31.31 31.06 2k5g n TRP 169 CO 0.00 0.00 0.00 1.15 -0.03 0.00 0.00 177.69 178.81 2k5g h THR 170 N 0.00 1.20 -0.73 -0.99 2.02 -1.93 -1.97 112.91 110.50 2k5g h THR 170 Ca 0.00 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 2k5g h THR 170 Cb 0.00 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 66.67 2k5g h THR 170 CO 0.00 0.22 0.42 0.71 0.37 0.00 0.00 175.52 177.24 2k5g h THR 171 N 0.92 1.21 0.20 3.16 1.35 -1.55 0.13 112.91 118.33 2k5g h THR 171 Ca 0.24 -0.49 -0.01 0.00 -0.55 0.00 0.00 66.41 65.60 2k5g h THR 171 Cb 0.01 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 66.63 2k5g h THR 171 CO -0.04 0.23 -0.10 -0.07 -0.25 0.00 0.00 175.52 175.29 2k5g h LEU 172 N 1.01 -0.23 -0.36 3.87 4.07 -1.69 0.12 115.31 122.10 2k5g h LEU 172 Ca 0.26 -0.07 0.05 0.00 0.08 0.00 0.00 57.88 58.20 2k5g h LEU 172 Cb -0.01 0.06 -0.04 0.00 1.08 0.00 0.00 40.66 41.74 2k5g h LEU 172 CO -0.05 -0.07 0.10 0.00 -1.08 0.00 0.00 178.44 177.34 2k5g h ALA 173 N 0.40 0.40 0.22 1.53 0.00 -0.97 0.29 119.26 121.15 2k5g h ALA 173 Ca -0.03 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2k5g h ALA 173 Cb 0.29 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2k5g h ALA 173 CO 0.05 -0.29 -0.18 0.37 0.00 0.00 0.00 179.25 179.19 2k5g h GLN 174 N 0.24 -0.40 -0.63 0.00 4.15 -0.65 0.29 115.11 118.12 2k5g h GLN 174 Ca 0.17 0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.57 2k5g h GLN 174 Cb 0.16 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.91 2k5g h GLN 174 CO -0.19 -0.27 0.23 0.00 -1.93 0.00 0.00 178.83 176.68 2k5g h ALA 175 N 0.33 0.82 -0.01 3.38 0.00 -0.71 0.45 119.26 123.51 2k5g h ALA 175 Ca -0.01 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.73 2k5g h ALA 175 Cb 0.37 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2k5g h ALA 175 CO -0.01 0.45 -0.10 0.93 0.00 0.00 0.00 179.25 180.52 2k5g h GLU 176 N 0.88 -0.16 -0.57 0.00 4.39 -0.23 -0.73 114.58 118.17 2k5g h GLU 176 Ca 0.21 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.86 2k5g h GLU 176 Cb 0.24 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 2k5g h GLU 176 CO -0.01 -0.11 0.12 1.96 -1.16 0.00 0.00 179.01 179.81 2k5g h GLN 177 N -0.17 0.89 0.02 2.33 1.08 -0.07 -0.87 115.11 118.33 2k5g h GLN 177 Ca 0.04 -0.20 -0.00 0.00 -1.45 0.00 0.00 58.65 57.04 2k5g h GLN 177 Cb 0.22 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 2k5g h GLN 177 CO -0.11 0.81 -0.01 0.22 -0.95 0.00 0.00 178.83 178.80 2k5g h ASP 178 N 0.85 -0.02 1.13 1.46 1.82 0.28 0.12 116.42 122.06 2k5g h ASP 178 Ca 0.18 -0.24 -0.06 0.00 -0.39 0.00 0.00 57.03 56.53 2k5g h ASP 178 Cb 0.34 0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.34 2k5g h ASP 178 CO 0.00 0.23 -0.28 1.88 -1.61 0.00 0.00 179.24 179.46 2k5g h TYR 179 N -0.27 0.00 -0.01 0.28 -1.99 -1.09 -0.76 116.97 113.13 2k5g h TYR 179 Ca -0.00 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 60.58 2k5g h TYR 179 Cb 0.26 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.97 2k5g h TYR 179 CO 0.01 0.28 -0.68 0.93 -0.00 0.00 0.00 178.16 178.69 2k5g h GLU 180 N 0.00 0.07 0.00 4.88 4.39 -1.02 -3.04 114.58 119.86 2k5g h GLU 180 Ca -0.00 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 2k5g h GLU 180 Cb 0.91 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.57 2k5g h GLU 180 CO 0.04 0.72 -0.09 0.37 -1.16 0.00 0.00 179.01 178.88 2k5g h GLN 181 N 0.04 0.00 -0.33 2.33 5.75 0.15 -2.76 115.11 120.30 2k5g h GLN 181 Ca -0.01 0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.58 2k5g h GLN 181 Cb 1.21 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.74 2k5g h GLN 181 CO 0.09 0.09 0.30 -0.09 -2.65 0.00 0.00 178.83 176.57 2k5g h ARG 182 N 0.00 0.00 -0.59 1.69 1.12 -1.04 -3.48 114.38 112.07 2k5g h ARG 182 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2k5g h ARG 182 Cb 0.85 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.81 2k5g h ARG 182 CO 0.01 0.00 -0.14 1.28 -3.11 0.00 0.00 179.97 178.01 2k5g n LEU 183 N -4.01 -2.20 -4.63 3.80 4.32 -1.04 -5.10 117.00 108.14 2k5g n LEU 183 Ca 0.05 0.48 -0.29 0.00 -0.02 0.00 0.00 56.01 56.23 2k5g n LEU 183 Cb 0.46 0.39 -0.09 0.00 -1.62 0.00 0.00 43.42 42.56 2k5g n LEU 183 CO 0.31 -0.04 -0.25 -0.22 -1.22 0.00 0.00 177.39 175.96 2k5g s LEU 184 N -1.48 2.36 -0.10 2.23 2.96 -1.26 -5.08 118.68 118.31 2k5g s LEU 184 Ca 0.00 -1.55 -0.29 0.00 -0.22 0.00 0.00 54.13 52.06 2k5g s LEU 184 Cb 0.00 -0.60 -0.04 0.00 0.50 0.00 0.00 46.19 46.05 2k5g s LEU 184 CO 0.00 -0.74 1.60 -0.70 -1.32 0.00 0.00 176.35 175.20 2k5g s GLU 185 N -3.80 4.10 0.43 1.98 2.12 -1.26 -5.00 118.70 117.27 2k5g s GLU 185 Ca 0.21 2.02 0.02 0.00 0.36 0.00 0.00 54.97 57.58 2k5g s GLU 185 Cb 0.05 -3.97 0.00 0.00 0.26 0.00 0.00 34.13 30.47 2k5g s GLU 185 CO 0.11 -0.93 0.63 -3.38 -0.54 0.00 0.00 175.26 171.15 2k5g s HIS 186 N 4.24 3.13 0.04 5.30 -3.43 -1.26 -5.12 115.29 118.18 2k5g s HIS 186 Ca 0.71 0.06 -0.08 0.00 -0.80 0.00 0.00 55.06 54.94 2k5g s HIS 186 Cb -0.30 -2.29 -0.00 0.00 -1.43 0.00 0.00 32.58 28.55 2k5g s HIS 186 CO 0.28 -0.34 0.16 -3.38 -2.00 0.00 0.00 174.74 169.46 2k5g s HIS 187 N -2.48 0.09 0.47 0.38 -3.43 -1.26 -5.18 115.29 103.89 2k5g s HIS 187 Ca 0.49 -0.32 0.03 0.00 -0.80 0.00 0.00 55.06 54.46 2k5g s HIS 187 Cb -0.10 -0.06 -0.04 0.00 -1.43 0.00 0.00 32.58 30.95 2k5g s HIS 187 CO 0.36 -0.40 0.02 -3.38 -2.00 0.00 0.00 174.74 169.34 2k5g s HIS 188 N -2.47 2.11 0.59 0.38 -3.43 -1.26 -5.16 115.29 106.06 2k5g s HIS 188 Ca -0.06 -0.84 0.05 0.00 -0.80 0.00 0.00 55.06 53.41 2k5g s HIS 188 Cb -0.02 -1.69 0.08 0.00 -1.43 0.00 0.00 32.58 29.52 2k5g s HIS 188 CO -0.04 0.29 0.82 -1.01 -2.00 0.00 0.00 174.74 172.80 2k5g s HIS 189 N -2.81 1.93 0.00 0.38 3.76 -1.26 -5.13 115.29 112.16 2k5g s HIS 189 Ca 0.18 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.68 2k5g s HIS 189 Cb 0.05 -2.58 0.00 0.00 1.11 0.00 0.00 32.58 31.15 2k5g s HIS 189 CO 0.09 -1.17 0.00 -2.39 -0.85 0.00 0.00 174.74 170.42 2k5g n HIS 190 N -2.39 -0.19 0.47 1.40 1.44 -1.26 -5.37 115.22 109.32 2k5g n HIS 190 Ca 0.13 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.90 2k5g n HIS 190 Cb 0.61 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.76 2k5g n HIS 190 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25