#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 0.47 -3.08 2.03 -1.04 -1.26 -4.95 114.28 106.45 2k5g n THR 2 Ca 0.00 -0.24 -0.22 0.00 -2.04 0.00 0.00 64.05 61.55 2k5g n THR 2 Cb 0.00 -2.10 0.01 0.00 -1.82 0.00 0.00 70.33 66.42 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 5.98 5.85 0.34 8.00 0.01 -1.26 -5.03 113.70 127.59 2k5g s SER 3 Ca 0.98 0.19 -0.27 0.00 1.31 0.00 0.00 55.95 58.15 2k5g s SER 3 Cb -0.58 -1.46 -0.13 0.00 0.21 0.00 0.00 66.02 64.06 2k5g s SER 3 CO 0.45 -0.65 1.08 -2.65 0.41 0.00 0.00 173.24 171.88 2k5g n PRO 4 N -1.99 1.56 -4.25 12.44 -0.02 -1.26 -5.01 135.00 136.46 2k5g n PRO 4 Ca 0.01 0.55 -0.28 0.00 -2.02 0.00 0.00 63.50 61.76 2k5g n PRO 4 Cb 0.58 -2.02 -0.05 0.00 -0.02 0.00 0.00 33.50 31.99 2k5g n PRO 4 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2k5g n SER 5 N 0.93 3.16 -4.67 2.55 2.88 -1.26 -5.08 113.62 112.12 2k5g n SER 5 Ca 0.08 -2.90 -0.43 0.00 -1.33 0.00 0.00 58.87 54.29 2k5g n SER 5 Cb 0.35 0.28 -0.02 0.00 -0.75 0.00 0.00 64.21 64.06 2k5g n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2k5g s SER 6 N -3.46 6.83 -0.05 -3.46 0.01 -1.26 -5.00 113.70 107.31 2k5g s SER 6 Ca 0.02 1.96 0.04 0.00 1.31 0.00 0.00 55.95 59.29 2k5g s SER 6 Cb -0.00 -2.54 -0.00 0.00 0.21 0.00 0.00 66.02 63.69 2k5g s SER 6 CO 0.02 -0.81 -0.17 0.00 0.41 0.00 0.00 173.24 172.69 2k5g s ALA 7 N 3.48 1.51 -0.34 1.44 0.00 -1.26 -4.92 121.76 121.68 2k5g s ALA 7 Ca 0.63 -0.67 -0.11 0.00 0.00 0.00 0.00 51.96 51.81 2k5g s ALA 7 Cb -0.28 -0.52 -0.00 0.00 0.00 0.00 0.00 23.12 22.32 2k5g s ALA 7 CO 0.22 0.26 0.20 -0.06 0.00 0.00 0.00 175.76 176.39 2k5g s PHE 8 N 0.11 3.21 -0.13 0.00 0.08 -1.26 -4.97 117.98 115.02 2k5g s PHE 8 Ca -0.05 -0.50 -0.29 0.00 0.12 0.00 0.00 56.93 56.21 2k5g s PHE 8 Cb -0.12 -2.43 -0.01 0.00 -0.57 0.00 0.00 43.02 39.89 2k5g s PHE 8 CO 0.03 -0.46 1.13 -1.25 -0.10 0.00 0.00 175.22 174.57 2k5g s PRO 9 N 1.65 4.32 -0.33 0.24 0.04 -1.26 -4.55 135.00 135.11 2k5g s PRO 9 Ca 0.05 1.53 0.02 0.00 0.04 0.00 0.00 61.00 62.64 2k5g s PRO 9 Cb -0.18 -3.62 0.09 0.00 0.04 0.00 0.00 34.50 30.83 2k5g s PRO 9 CO 0.08 -0.52 0.03 0.16 0.04 0.00 0.00 177.00 176.79 2k5g s ASP 10 N 1.44 4.77 0.04 6.66 -4.77 -1.26 -5.01 116.67 118.55 2k5g s ASP 10 Ca 0.51 -1.87 0.22 0.00 -3.30 0.00 0.00 52.55 48.11 2k5g s ASP 10 Cb -0.20 -1.65 -0.22 0.00 -1.09 0.00 0.00 42.92 39.76 2k5g s ASP 10 CO 0.15 -0.35 0.68 0.61 0.70 0.00 0.00 175.17 176.97 2k5g n GLY 11 N 4.38 -1.15 3.55 2.12 0.00 -1.26 -4.63 105.19 108.20 2k5g n GLY 11 Ca -0.03 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 2k5g n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k5g s HIS 12 N -3.45 1.44 -0.46 1.61 3.76 -1.26 -4.75 115.29 112.19 2k5g s HIS 12 Ca -0.05 1.15 0.07 0.00 -0.15 0.00 0.00 55.06 56.08 2k5g s HIS 12 Cb 0.13 -3.85 0.24 0.00 1.11 0.00 0.00 32.58 30.22 2k5g s HIS 12 CO 0.87 -2.18 0.78 0.41 -0.85 0.00 0.00 174.74 173.77 2k5g n GLY 13 N 6.14 0.94 3.20 -2.22 0.00 -1.26 -5.14 105.19 106.85 2k5g n GLY 13 Ca 0.32 -0.40 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 2k5g n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5g s ALA 14 N 0.09 1.15 -0.18 4.61 0.00 -1.26 -4.93 121.76 121.24 2k5g s ALA 14 Ca 0.33 -1.58 -0.09 0.00 0.00 0.00 0.00 51.96 50.62 2k5g s ALA 14 Cb 0.21 0.83 0.07 0.00 0.00 0.00 0.00 23.12 24.23 2k5g s ALA 14 CO -0.20 -0.44 0.42 -0.98 0.00 0.00 0.00 175.76 174.56 2k5g s ARG 15 N -4.01 0.38 -1.02 0.00 1.70 -1.26 -5.09 118.95 109.64 2k5g s ARG 15 Ca 0.27 0.85 -0.16 0.00 -0.47 0.00 0.00 55.73 56.22 2k5g s ARG 15 Cb 0.07 0.06 0.16 0.00 -0.57 0.00 0.00 34.95 34.67 2k5g s ARG 15 CO 0.05 -0.18 1.18 -1.17 -1.08 0.00 0.00 175.30 174.10 2k5g s LEU 16 N 1.69 5.35 -0.10 -1.89 1.98 -1.26 -4.36 118.68 120.09 2k5g s LEU 16 Ca -0.08 -2.54 0.04 0.00 -2.89 0.00 0.00 54.13 48.66 2k5g s LEU 16 Cb -0.09 -2.36 0.13 0.00 0.66 0.00 0.00 46.19 44.52 2k5g s LEU 16 CO -0.13 -0.85 0.91 -0.90 -1.89 0.00 0.00 176.35 173.50 2k5g n ASP 17 N 5.67 -0.81 -4.55 3.68 5.75 -1.26 -5.10 116.55 119.93 2k5g n ASP 17 Ca 0.27 -1.55 -0.41 0.00 -0.01 0.00 0.00 54.79 53.09 2k5g n ASP 17 Cb 0.46 0.32 -0.03 0.00 -1.03 0.00 0.00 41.12 40.84 2k5g n ASP 17 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k5g s ALA 18 N 0.04 2.76 -0.11 2.12 0.00 -1.26 -4.50 121.76 120.81 2k5g s ALA 18 Ca 0.03 -2.22 0.02 0.00 0.00 0.00 0.00 51.96 49.78 2k5g s ALA 18 Cb 0.14 -4.48 -0.08 0.00 0.00 0.00 0.00 23.12 18.71 2k5g s ALA 18 CO -0.04 -3.55 -0.08 1.04 0.00 0.00 0.00 175.76 173.13 2k5g n GLN 19 N 8.78 0.54 -4.44 0.00 6.02 -1.26 -5.02 117.38 122.00 2k5g n GLN 19 Ca 0.30 0.06 -0.22 0.00 -0.01 0.00 0.00 57.00 57.13 2k5g n GLN 19 Cb 0.51 -1.22 -0.10 0.00 1.02 0.00 0.00 30.24 30.45 2k5g n GLN 19 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2k5g s SER 20 N -4.95 2.24 -0.30 1.08 0.01 -1.26 -4.77 113.70 105.75 2k5g s SER 20 Ca -0.14 -1.47 -0.11 0.00 1.31 0.00 0.00 55.95 55.54 2k5g s SER 20 Cb 0.04 0.15 -0.03 0.00 0.21 0.00 0.00 66.02 66.38 2k5g s SER 20 CO 0.26 -0.73 0.19 -0.63 0.41 0.00 0.00 173.24 172.74 2k5g s ILE 21 N -3.37 5.09 -0.00 1.44 -1.09 -0.70 -4.99 121.20 117.57 2k5g s ILE 21 Ca 0.33 -0.10 -0.01 0.00 -2.23 0.00 0.00 60.65 58.64 2k5g s ILE 21 Cb 0.07 -3.52 -0.00 0.00 -1.58 0.00 0.00 42.46 37.43 2k5g s ILE 21 CO 0.15 0.13 0.02 0.00 -1.23 0.00 0.00 174.94 174.01 2k5g s ARG 22 N 1.71 0.10 -0.21 2.79 3.03 -1.24 0.11 118.95 125.24 2k5g s ARG 22 Ca 0.06 -0.11 -0.04 0.00 2.03 0.00 0.00 55.73 57.67 2k5g s ARG 22 Cb -0.17 0.04 0.10 0.00 -1.03 0.00 0.00 34.95 33.90 2k5g s ARG 22 CO 0.09 -0.02 0.28 0.12 -1.13 0.00 0.00 175.30 174.64 2k5g s PHE 23 N -0.34 -0.47 -0.33 5.89 5.36 -0.69 -4.94 117.98 122.47 2k5g s PHE 23 Ca -0.04 0.51 -0.08 0.00 -0.96 0.00 0.00 56.93 56.36 2k5g s PHE 23 Cb -0.02 -0.20 0.02 0.00 -0.34 0.00 0.00 43.02 42.48 2k5g s PHE 23 CO -0.00 -0.62 0.12 -1.21 -1.46 0.00 0.00 175.22 172.06 2k5g s GLU 24 N 2.41 2.90 0.07 10.12 8.01 -1.26 -1.24 118.70 139.71 2k5g s GLU 24 Ca 0.08 -1.00 0.03 0.00 0.01 0.00 0.00 54.97 54.09 2k5g s GLU 24 Cb -0.15 -3.50 -0.03 0.00 -4.31 0.00 0.00 34.13 26.13 2k5g s GLU 24 CO -0.13 -0.57 -0.10 0.50 0.01 0.00 0.00 175.26 174.97 2k5g s ARG 25 N 1.49 0.70 -0.12 1.61 3.52 0.02 -4.98 118.95 121.20 2k5g s ARG 25 Ca 0.01 -0.95 -0.19 0.00 -0.13 0.00 0.00 55.73 54.46 2k5g s ARG 25 Cb -0.18 -0.47 -0.04 0.00 -1.56 0.00 0.00 34.95 32.70 2k5g s ARG 25 CO 0.04 0.08 0.54 -1.17 -0.81 0.00 0.00 175.30 173.98 2k5g s LEU 26 N -1.96 4.27 0.18 -0.88 1.98 -1.26 -0.53 118.68 120.47 2k5g s LEU 26 Ca -0.02 0.89 0.10 0.00 -2.89 0.00 0.00 54.13 52.21 2k5g s LEU 26 Cb -0.07 -2.79 -0.04 0.00 0.66 0.00 0.00 46.19 43.95 2k5g s LEU 26 CO 0.00 -0.05 -0.18 -0.76 -1.89 0.00 0.00 176.35 173.47 2k5g s LEU 27 N 0.81 2.64 0.12 -0.68 2.01 0.12 -4.97 118.68 118.74 2k5g s LEU 27 Ca 0.29 -0.74 -0.30 0.00 0.01 0.00 0.00 54.13 53.39 2k5g s LEU 27 Cb -0.16 -1.37 -0.06 0.00 0.01 0.00 0.00 46.19 44.61 2k5g s LEU 27 CO 0.12 0.12 1.01 -2.84 1.01 0.00 0.00 176.35 175.77 2k5g s PRO 28 N -2.68 4.66 0.00 1.29 0.02 -1.26 -1.43 135.00 135.60 2k5g s PRO 28 Ca 0.22 1.53 0.00 0.00 0.02 0.00 0.00 61.00 62.77 2k5g s PRO 28 Cb -0.08 -3.35 0.00 0.00 0.02 0.00 0.00 34.50 31.08 2k5g s PRO 28 CO 0.12 0.16 0.00 0.41 -0.33 0.00 0.00 177.00 177.35 2k5g n GLY 29 N 2.25 2.63 0.19 0.52 0.00 -0.99 -4.50 105.19 105.30 2k5g n GLY 29 Ca 0.03 -1.80 -0.10 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.20 0.00 1.61 0.13 -1.76 -2.35 132.00 129.43 2k5g h PRO 30 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2k5g h PRO 30 Cb 0.00 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.17 2k5g h PRO 30 CO 0.00 -0.13 0.00 1.51 -0.23 0.00 0.00 178.00 179.15 2k5g n ILE 31 N -5.29 0.00 -0.11 -3.56 3.06 -1.26 -3.87 119.36 108.33 2k5g n ILE 31 Ca -0.04 0.00 -0.12 0.00 -2.50 0.00 0.00 62.75 60.10 2k5g n ILE 31 Cb 0.21 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.35 2k5g n ILE 31 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 2k5g h GLU 32 N 0.00 0.62 -0.64 9.51 5.08 -1.91 -1.46 114.58 125.79 2k5g h GLU 32 Ca 0.00 -0.25 0.06 0.00 -1.00 0.00 0.00 59.36 58.17 2k5g h GLU 32 Cb 0.00 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.17 2k5g h GLU 32 CO 0.00 0.83 0.34 -0.09 -1.00 0.00 0.00 179.01 179.08 2k5g h ARG 33 N 0.39 0.60 -0.16 2.33 2.43 -1.90 0.32 114.38 118.38 2k5g h ARG 33 Ca 0.07 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.07 2k5g h ARG 33 Cb 0.61 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 2k5g h ARG 33 CO 0.04 0.40 -0.50 0.28 -1.51 0.00 0.00 179.97 178.67 2k5g h VAL 34 N 0.62 1.33 -0.43 0.20 2.07 -1.76 -3.08 116.25 115.19 2k5g h VAL 34 Ca 0.29 -1.74 -0.08 0.00 0.82 0.00 0.00 66.70 65.99 2k5g h VAL 34 Cb 0.21 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 2k5g h VAL 34 CO -0.20 0.53 -0.06 -0.25 0.02 0.00 0.00 177.57 177.62 2k5g h TRP 35 N 0.34 0.89 -0.74 1.57 2.91 -0.47 -3.22 115.95 117.23 2k5g h TRP 35 Ca 0.01 -0.18 0.17 0.00 1.13 0.00 0.00 58.89 60.02 2k5g h TRP 35 Cb 1.00 -0.22 -0.13 0.00 -0.51 0.00 0.00 29.16 29.30 2k5g h TRP 35 CO 0.03 0.89 -0.03 0.00 -1.03 0.00 0.00 178.44 178.31 2k5g h ALA 36 N 0.87 0.72 0.00 2.65 0.00 -0.87 0.30 119.26 122.94 2k5g h ALA 36 Ca 0.11 0.25 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 2k5g h ALA 36 Cb 0.58 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2k5g h ALA 36 CO 0.03 -0.42 -0.25 -1.49 0.00 0.00 0.00 179.25 177.12 2k5g h TRP 37 N 0.08 0.00 -0.28 0.00 -0.00 -1.64 0.11 115.95 114.22 2k5g h TRP 37 Ca 0.40 0.00 -0.16 0.00 -0.00 0.00 0.00 58.89 59.13 2k5g h TRP 37 Cb 0.69 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.84 2k5g h TRP 37 CO -0.45 0.25 -0.46 -0.07 -0.00 0.00 0.00 178.44 177.72 2k5g h LEU 38 N 0.00 0.80 0.00 -4.49 3.38 -0.52 -3.38 115.31 111.10 2k5g h LEU 38 Ca -0.00 -0.39 -0.12 0.00 0.09 0.00 0.00 57.88 57.46 2k5g h LEU 38 Cb 0.92 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 2k5g h LEU 38 CO 0.03 1.13 -0.80 0.00 0.09 0.00 0.00 178.44 178.90 2k5g h ALA 39 N 0.90 0.14 -2.07 1.53 0.00 -0.27 -3.47 119.26 116.02 2k5g h ALA 39 Ca 0.04 -0.84 -0.61 0.00 0.00 0.00 0.00 54.91 53.50 2k5g h ALA 39 Cb 1.02 0.53 0.02 0.00 0.00 0.00 0.00 17.79 19.35 2k5g h ALA 39 CO 0.10 0.50 1.06 -3.47 0.00 0.00 0.00 179.25 177.44 2k5g n ASP 40 N -4.53 3.41 0.23 0.00 2.03 0.31 -4.73 116.55 113.26 2k5g n ASP 40 Ca -0.20 0.99 0.13 0.00 0.52 0.00 0.00 54.79 56.23 2k5g n ASP 40 Cb 0.49 -1.38 0.34 0.00 -0.72 0.00 0.00 41.12 39.85 2k5g n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k5g h ALA 41 N 8.73 0.98 -0.02 -1.67 0.00 -1.90 -1.00 119.26 124.38 2k5g h ALA 41 Ca -0.48 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 2k5g h ALA 41 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2k5g h ALA 41 CO 0.94 0.05 -0.27 0.22 0.00 0.00 0.00 179.25 180.19 2k5g h ASP 42 N 0.00 0.28 -0.10 0.00 3.58 -1.92 -2.86 116.42 115.40 2k5g h ASP 42 Ca -0.00 -0.72 -0.21 0.00 0.42 0.00 0.00 57.03 56.51 2k5g h ASP 42 Cb 0.86 -0.08 0.01 0.00 1.72 0.00 0.00 39.33 41.83 2k5g h ASP 42 CO 0.01 0.96 -0.75 0.50 -2.88 0.00 0.00 179.24 177.08 2k5g h LYS 43 N -0.38 0.74 0.00 0.28 3.64 -1.91 -3.15 116.57 115.79 2k5g h LYS 43 Ca -0.03 -0.59 -0.02 0.00 -1.27 0.00 0.00 60.65 58.74 2k5g h LYS 43 Cb 0.98 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.92 2k5g h LYS 43 CO 0.05 1.20 -0.08 0.07 -2.27 0.00 0.00 179.45 178.43 2k5g h ARG 44 N 0.51 0.00 0.00 1.90 0.11 -1.26 0.01 114.38 115.65 2k5g h ARG 44 Ca -0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.04 2k5g h ARG 44 Cb 1.37 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.45 2k5g h ARG 44 CO 0.15 0.08 0.00 0.00 0.10 0.00 0.00 179.97 180.30 2k5g h ALA 45 N 1.92 1.00 -0.28 0.08 0.00 -1.15 0.61 119.26 121.44 2k5g h ALA 45 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2k5g h ALA 45 Cb 0.31 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 2k5g h ALA 45 CO 0.01 0.00 -0.10 0.54 0.00 0.00 0.00 179.25 179.70 2k5g n ARG 46 N -3.07 1.97 0.00 0.00 1.74 -0.01 -3.78 116.66 113.51 2k5g n ARG 46 Ca -0.02 -3.10 0.00 0.00 -0.77 0.00 0.00 57.85 53.97 2k5g n ARG 46 Cb 0.16 -1.78 0.00 0.00 -1.02 0.00 0.00 32.46 29.81 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 -1.04 0.00 0.00 -1.55 4.27 -0.87 -4.74 117.44 113.52 2k5g n TRP 47 Ca 0.29 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.90 2k5g n TRP 47 Cb 0.95 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.90 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 0.00 0.00 -3.79 5.67 7.94 0.19 -4.80 117.00 122.20 2k5g n LEU 48 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.89 2k5g n LEU 48 Cb 0.00 0.01 0.00 0.00 0.53 0.00 0.00 43.42 43.96 2k5g n LEU 48 CO 0.00 -0.03 0.92 0.00 -1.11 0.00 0.00 177.39 177.17 2k5g s ALA 49 N -1.68 -1.96 -0.11 1.96 0.00 0.44 -4.71 121.76 115.70 2k5g s ALA 49 Ca 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 51.96 52.08 2k5g s ALA 49 Cb 0.00 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 2k5g s ALA 49 CO 0.00 -1.07 0.04 0.20 0.00 0.00 0.00 175.76 174.92 2k5g s GLY 50 N -3.23 1.91 0.00 0.00 0.00 0.47 -1.98 107.32 104.48 2k5g s GLY 50 Ca 0.18 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 44.14 2k5g s GLY 50 CO 0.01 -0.40 0.00 0.61 0.00 0.00 0.00 173.10 173.31 2k5g n GLY 51 N 2.41 3.35 3.89 0.20 0.00 -1.26 0.54 105.19 114.32 2k5g n GLY 51 Ca -0.18 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 2k5g n GLY 51 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k5g s GLU 52 N -1.35 3.38 0.19 1.61 -6.30 -1.26 -4.64 118.70 110.33 2k5g s GLU 52 Ca 0.00 0.41 -0.17 0.00 -2.50 0.00 0.00 54.97 52.71 2k5g s GLU 52 Cb 0.00 -2.20 -0.08 0.00 0.00 0.00 0.00 34.13 31.85 2k5g s GLU 52 CO 0.00 -0.53 0.64 -0.51 0.02 0.00 0.00 175.26 174.89 2k5g s LEU 53 N -5.03 4.33 0.00 2.70 2.01 -1.26 -4.85 118.68 116.59 2k5g s LEU 53 Ca 0.53 1.26 -0.05 0.00 0.01 0.00 0.00 54.13 55.87 2k5g s LEU 53 Cb -0.11 -3.45 0.08 0.00 0.01 0.00 0.00 46.19 42.72 2k5g s LEU 53 CO 0.49 0.06 0.22 -2.65 1.01 0.00 0.00 176.35 175.48 2k5g n PRO 54 N 0.73 -2.03 -0.02 1.29 -0.02 -1.26 -5.00 135.00 128.68 2k5g n PRO 54 Ca -0.03 -0.36 0.07 0.00 -2.02 0.00 0.00 63.50 61.15 2k5g n PRO 54 Cb 0.51 -0.39 -0.15 0.00 -0.02 0.00 0.00 33.50 33.45 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 -2.53 0.66 -4.78 -0.52 1.74 -1.26 -4.95 116.66 105.01 2k5g n ARG 55 Ca 0.03 -0.16 -0.32 0.00 -0.77 0.00 0.00 57.85 56.64 2k5g n ARG 55 Cb 0.13 -1.47 -0.13 0.00 -1.02 0.00 0.00 32.46 29.97 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 -3.24 2.26 -0.54 5.56 -0.21 -1.26 -5.07 119.66 117.16 2k5g s GLN 56 Ca -0.07 -0.86 -0.28 0.00 0.02 0.00 0.00 55.36 54.17 2k5g s GLN 56 Cb 0.12 -2.27 -0.00 0.00 1.00 0.00 0.00 33.01 31.86 2k5g s GLN 56 CO 0.81 0.58 1.60 -2.14 -2.12 0.00 0.00 175.29 174.02 2k5g s PRO 57 N -1.12 3.11 0.00 2.91 0.02 -1.26 -2.49 135.00 136.17 2k5g s PRO 57 Ca 0.13 0.64 0.00 0.00 0.02 0.00 0.00 61.00 61.79 2k5g s PRO 57 Cb -0.11 -4.21 0.00 0.00 0.02 0.00 0.00 34.50 30.20 2k5g s PRO 57 CO 0.03 -2.16 0.00 0.41 -0.33 0.00 0.00 177.00 174.96 2k5g n GLY 58 N 5.41 0.50 3.88 0.52 0.00 -0.77 -4.85 105.19 109.89 2k5g n GLY 58 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2k5g n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k5g s GLN 59 N 0.00 3.76 -0.01 1.61 -0.21 -1.04 -4.69 119.66 119.08 2k5g s GLN 59 Ca 0.00 0.26 -0.13 0.00 0.02 0.00 0.00 55.36 55.51 2k5g s GLN 59 Cb 0.00 -2.58 -0.05 0.00 1.00 0.00 0.00 33.01 31.38 2k5g s GLN 59 CO 0.00 0.20 0.36 0.95 -2.12 0.00 0.00 175.29 174.69 2k5g s THR 60 N -2.02 5.12 0.14 -0.19 -4.23 -1.26 -1.28 115.64 111.92 2k5g s THR 60 Ca 0.48 0.68 0.06 0.00 -1.18 0.00 0.00 61.69 61.72 2k5g s THR 60 Cb -0.11 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.04 2k5g s THR 60 CO 0.25 0.54 -0.13 0.72 -0.54 0.00 0.00 174.62 175.47 2k5g s PHE 61 N -1.12 1.42 -0.33 3.99 -0.71 -0.47 -4.89 117.98 115.88 2k5g s PHE 61 Ca 0.24 -0.62 -0.12 0.00 -1.04 0.00 0.00 56.93 55.39 2k5g s PHE 61 Cb -0.16 -0.72 -0.02 0.00 -1.21 0.00 0.00 43.02 40.92 2k5g s PHE 61 CO 0.13 0.17 0.22 -1.21 -1.34 0.00 0.00 175.22 173.19 2k5g s GLU 62 N -3.16 3.54 0.04 1.99 2.02 -1.26 -1.51 118.70 120.36 2k5g s GLU 62 Ca 0.14 -0.61 -0.07 0.00 0.02 0.00 0.00 54.97 54.44 2k5g s GLU 62 Cb -0.02 -3.75 -0.05 0.00 0.10 0.00 0.00 34.13 30.40 2k5g s GLU 62 CO 0.03 -0.40 0.31 -1.17 0.02 0.00 0.00 175.26 174.05 2k5g s LEU 63 N 1.71 4.36 -0.31 1.80 2.96 0.17 -4.74 118.68 124.63 2k5g s LEU 63 Ca 0.06 0.63 0.01 0.00 -0.22 0.00 0.00 54.13 54.61 2k5g s LEU 63 Cb -0.17 -2.80 0.07 0.00 0.50 0.00 0.00 46.19 43.80 2k5g s LEU 63 CO 0.10 0.22 -0.00 -1.00 -1.32 0.00 0.00 176.35 174.35 2k5g s HIS 64 N -1.34 3.42 -0.07 5.38 3.76 0.19 -0.59 115.29 126.03 2k5g s HIS 64 Ca 0.30 -2.36 -0.30 0.00 -0.15 0.00 0.00 55.06 52.55 2k5g s HIS 64 Cb -0.13 -2.38 -0.02 0.00 1.11 0.00 0.00 32.58 31.15 2k5g s HIS 64 CO 0.17 -0.89 1.11 0.12 -0.85 0.00 0.00 174.74 174.40 2k5g s PHE 65 N 1.11 3.36 0.33 1.40 5.36 0.79 -0.40 117.98 129.92 2k5g s PHE 65 Ca -0.01 1.40 0.08 0.00 -0.96 0.00 0.00 56.93 57.44 2k5g s PHE 65 Cb -0.20 -3.31 -0.03 0.00 -0.34 0.00 0.00 43.02 39.14 2k5g s PHE 65 CO -0.04 -0.78 0.21 0.54 -1.46 0.00 0.00 175.22 173.69 2k5g s ASN 66 N 1.28 5.01 0.00 6.13 2.20 -1.26 -0.63 114.94 127.66 2k5g s ASN 66 Ca 0.52 -0.61 0.17 0.00 -0.94 0.00 0.00 52.86 52.01 2k5g s ASN 66 Cb -0.22 -0.88 0.93 0.00 -2.00 0.00 0.00 41.25 39.07 2k5g s ASN 66 CO 0.21 -0.30 1.49 0.00 -2.94 0.00 0.00 177.10 175.56 2k5g n HIS 67 N -1.25 0.00 0.00 1.54 1.44 -1.18 -4.05 115.22 111.72 2k5g n HIS 67 Ca -0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.68 2k5g n HIS 67 Cb 0.60 -0.19 0.00 0.00 0.12 0.00 0.00 29.99 30.52 2k5g n HIS 67 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2k5g n ALA 68 N -1.19 0.89 -0.35 1.59 0.00 -1.26 -4.41 120.51 115.78 2k5g n ALA 68 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2k5g n ALA 68 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 -1.35 0.00 -2.79 0.00 0.00 -1.25 -0.39 120.51 114.73 2k5g n ALA 69 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k5g n ALA 69 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 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 0.00 1.03 -0.92 0.00 -0.00 -1.26 -3.11 117.00 112.73 2k5g n LEU 70 Ca 0.00 -3.01 0.00 0.00 -0.00 0.00 0.00 56.01 53.00 2k5g n LEU 70 Cb 0.00 0.39 0.00 0.00 -0.00 0.00 0.00 43.42 43.81 2k5g n LEU 70 CO 0.00 1.13 -0.26 1.07 -0.00 0.00 0.00 177.39 179.32 2k5g n THR 71 N -0.71 -3.42 -3.72 1.96 5.66 0.48 -1.51 114.28 113.01 2k5g n THR 71 Ca 0.03 1.37 -0.30 0.00 -3.05 0.00 0.00 64.05 62.10 2k5g n THR 71 Cb 0.83 -1.90 -0.13 0.00 -1.55 0.00 0.00 70.33 67.57 2k5g n THR 71 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k5g s ALA 72 N -2.93 2.01 0.05 1.79 0.00 -1.26 -4.00 121.76 117.43 2k5g s ALA 72 Ca 0.00 -2.38 -0.26 0.00 0.00 0.00 0.00 51.96 49.32 2k5g s ALA 72 Cb 0.00 -1.83 -0.17 0.00 0.00 0.00 0.00 23.12 21.12 2k5g s ALA 72 CO 0.00 -1.97 1.52 0.93 0.00 0.00 0.00 175.76 176.23 2k5g h GLU 73 N 7.06 -0.28 -4.65 0.00 5.08 -1.97 -3.41 114.58 116.40 2k5g h GLU 73 Ca -0.04 0.02 -0.57 0.00 -1.00 0.00 0.00 59.36 57.77 2k5g h GLU 73 Cb 0.95 0.06 -0.35 0.00 0.50 0.00 0.00 28.75 29.92 2k5g h GLU 73 CO 0.47 -0.07 -0.83 0.99 -1.00 0.00 0.00 179.01 178.58 2k5g s THR 74 N -5.48 1.40 -0.45 1.13 2.01 -1.26 -5.08 115.64 107.91 2k5g s THR 74 Ca -0.15 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 61.30 2k5g s THR 74 Cb 0.04 -1.30 0.15 0.00 0.01 0.00 0.00 72.50 71.40 2k5g s THR 74 CO 0.62 0.42 0.28 0.00 -0.69 0.00 0.00 174.62 175.26 2k5g s ALA 75 N 1.06 1.98 -0.84 7.40 0.00 -1.26 -4.99 121.76 125.10 2k5g s ALA 75 Ca -0.06 -2.58 -0.17 0.00 0.00 0.00 0.00 51.96 49.16 2k5g s ALA 75 Cb -0.15 -1.81 -0.12 0.00 0.00 0.00 0.00 23.12 21.04 2k5g s ALA 75 CO -0.02 -2.06 1.99 -0.35 0.00 0.00 0.00 175.76 175.32 2k5g n PRO 76 N 3.32 1.72 0.00 0.00 -0.04 -1.26 -4.29 135.00 134.45 2k5g n PRO 76 Ca 0.15 -1.76 0.00 0.00 -0.04 0.00 0.00 63.50 61.85 2k5g n PRO 76 Cb 0.38 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.04 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 6.47 0.00 0.06 0.55 0.00 -1.26 -4.42 120.51 121.91 2k5g n ALA 77 Ca 0.48 0.00 0.13 0.00 0.00 0.00 0.00 53.44 54.05 2k5g n ALA 77 Cb 0.32 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.39 2k5g n ALA 77 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2k5g h ARG 78 N 0.00 0.12 -0.02 0.00 2.43 -2.01 -1.00 114.38 113.90 2k5g h ARG 78 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2k5g h ARG 78 Cb 0.00 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2k5g h ARG 78 CO 0.00 0.08 0.00 0.66 -1.51 0.00 0.00 179.97 179.20 2k5g n TYR 79 N -4.46 0.01 0.92 2.20 4.02 -1.26 -4.27 117.16 114.32 2k5g n TYR 79 Ca 0.05 -0.01 0.03 0.00 -0.01 0.00 0.00 57.90 57.96 2k5g n TYR 79 Cb 0.35 -0.00 0.11 0.00 -0.02 0.00 0.00 39.34 39.78 2k5g n TYR 79 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2k5g n ALA 80 N 0.62 2.67 0.13 -0.72 0.00 -0.38 -3.69 120.51 119.13 2k5g n ALA 80 Ca 0.07 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2k5g n ALA 80 Cb 0.28 -1.01 0.08 0.00 0.00 0.00 0.00 19.45 18.80 2k5g n ALA 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2k5g h GLN 81 N 1.22 0.00 -0.56 0.00 3.07 -1.74 -2.84 115.11 114.26 2k5g h GLN 81 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2k5g h GLN 81 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.14 2k5g h GLN 81 CO 0.07 0.62 0.00 2.48 0.09 0.00 0.00 178.83 182.09 2k5g n TYR 82 N -3.39 1.74 1.71 0.06 0.18 -1.24 -4.25 117.16 111.97 2k5g n TYR 82 Ca 0.01 -0.70 0.15 0.00 1.88 0.00 0.00 57.90 59.24 2k5g n TYR 82 Cb 0.72 -0.40 0.85 0.00 -0.38 0.00 0.00 39.34 40.14 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 0.67 0.00 -4.22 9.48 2.03 -1.07 -3.13 116.55 120.30 2k5g n ASP 83 Ca 0.26 -0.59 -0.22 0.00 0.52 0.00 0.00 54.79 54.76 2k5g n ASP 83 Cb 1.05 -0.13 -0.13 0.00 -0.72 0.00 0.00 41.12 41.19 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 -2.26 1.08 -0.50 -0.67 0.52 -1.26 -4.50 118.95 111.36 2k5g s ARG 84 Ca 0.38 -0.98 -0.26 0.00 -0.52 0.00 0.00 55.73 54.35 2k5g s ARG 84 Cb 0.21 -1.20 -0.06 0.00 0.52 0.00 0.00 34.95 34.41 2k5g s ARG 84 CO 0.41 0.29 2.36 -2.14 0.02 0.00 0.00 175.30 176.24 2k5g s PRO 85 N -1.54 2.14 -0.34 3.54 0.02 -1.25 -4.63 135.00 132.95 2k5g s PRO 85 Ca 0.04 1.34 -0.23 0.00 0.02 0.00 0.00 61.00 62.17 2k5g s PRO 85 Cb -0.09 -4.57 0.01 0.00 0.02 0.00 0.00 34.50 29.87 2k5g s PRO 85 CO 0.03 -3.24 0.78 0.42 -0.33 0.00 0.00 177.00 174.66 2k5g s ILE 86 N 11.95 4.76 -0.07 2.83 1.01 0.20 -4.83 121.20 137.03 2k5g s ILE 86 Ca 0.95 1.01 -0.20 0.00 0.00 0.00 0.00 60.65 62.41 2k5g s ILE 86 Cb -0.17 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 2k5g s ILE 86 CO 0.25 -0.36 0.56 0.54 0.00 0.00 0.00 174.94 175.94 2k5g s VAL 87 N 3.04 5.08 -0.15 2.92 0.11 -1.26 -0.15 120.40 129.99 2k5g s VAL 87 Ca 0.32 1.15 -0.04 0.00 -2.93 0.00 0.00 61.98 60.48 2k5g s VAL 87 Cb -0.14 -3.90 0.07 0.00 -1.53 0.00 0.00 36.38 30.89 2k5g s VAL 87 CO 0.15 0.33 0.20 0.00 -3.33 0.00 0.00 175.10 172.45 2k5g s ALA 88 N 0.43 -0.21 0.27 1.54 0.00 0.24 -4.94 121.76 119.09 2k5g s ALA 88 Ca 0.30 0.39 -0.11 0.00 0.00 0.00 0.00 51.96 52.55 2k5g s ALA 88 Cb -0.17 -1.10 -0.07 0.00 0.00 0.00 0.00 23.12 21.78 2k5g s ALA 88 CO 0.14 -0.93 0.61 -0.98 0.00 0.00 0.00 175.76 174.60 2k5g s ARG 89 N 2.31 3.83 0.02 0.00 1.70 -1.26 -0.66 118.95 124.90 2k5g s ARG 89 Ca 0.05 0.36 -0.28 0.00 -0.47 0.00 0.00 55.73 55.39 2k5g s ARG 89 Cb -0.14 -2.58 0.10 0.00 -0.57 0.00 0.00 34.95 31.76 2k5g s ARG 89 CO -0.09 0.24 0.84 -3.38 -1.08 0.00 0.00 175.30 171.83 2k5g s HIS 90 N -1.92 -0.39 0.32 5.89 -3.43 -0.57 -4.94 115.29 110.26 2k5g s HIS 90 Ca 0.49 0.26 -0.17 0.00 -0.80 0.00 0.00 55.06 54.85 2k5g s HIS 90 Cb -0.11 0.54 -0.09 0.00 -1.43 0.00 0.00 32.58 31.49 2k5g s HIS 90 CO 0.22 -0.59 0.77 0.99 -2.00 0.00 0.00 174.74 174.12 2k5g s THR 91 N -3.13 4.62 0.35 -5.38 2.01 -1.26 -1.36 115.64 111.48 2k5g s THR 91 Ca 0.04 1.09 -0.05 0.00 0.31 0.00 0.00 61.69 63.07 2k5g s THR 91 Cb -0.01 -3.65 -0.05 0.00 0.01 0.00 0.00 72.50 68.80 2k5g s THR 91 CO -0.09 -0.14 0.64 -0.76 -0.69 0.00 0.00 174.62 173.58 2k5g s LEU 92 N -2.84 3.93 -0.04 4.42 1.43 -0.40 -1.31 118.68 123.87 2k5g s LEU 92 Ca 0.53 0.80 -0.08 0.00 -1.03 0.00 0.00 54.13 54.36 2k5g s LEU 92 Cb -0.11 -3.66 -0.03 0.00 0.03 0.00 0.00 46.19 42.41 2k5g s LEU 92 CO 0.17 -0.32 -0.16 -0.11 0.23 0.00 0.00 176.35 176.17 2k5g n LEU 93 N -1.34 1.44 -3.80 1.79 -0.00 0.13 -1.84 117.00 113.37 2k5g n LEU 93 Ca -0.01 0.22 -0.17 0.00 -0.00 0.00 0.00 56.01 56.05 2k5g n LEU 93 Cb 0.54 -0.51 -0.16 0.00 -0.00 0.00 0.00 43.42 43.29 2k5g n LEU 93 CO 0.49 -0.45 -0.37 -0.60 -0.00 0.00 0.00 177.39 176.46 2k5g s ARG 94 N -2.40 0.24 -0.34 1.96 3.52 -1.13 -4.35 118.95 116.45 2k5g s ARG 94 Ca -0.14 0.11 -0.01 0.00 -0.13 0.00 0.00 55.73 55.56 2k5g s ARG 94 Cb 0.02 -0.46 0.13 0.00 -1.56 0.00 0.00 34.95 33.09 2k5g s ARG 94 CO 0.20 -0.15 0.20 0.00 -0.81 0.00 0.00 175.30 174.74 2k5g s GLU 96 N 1.31 1.79 0.31 0.00 2.02 -0.68 -4.85 118.70 118.60 2k5g s GLU 96 Ca 0.16 -2.55 -0.28 0.00 0.02 0.00 0.00 54.97 52.33 2k5g s GLU 96 Cb -0.21 -2.91 -0.09 0.00 0.10 0.00 0.00 34.13 31.02 2k5g s GLU 96 CO -0.07 -1.18 1.04 -2.14 0.02 0.00 0.00 175.26 172.92 2k5g s PRO 97 N -0.31 4.54 -0.45 0.39 0.02 -1.26 -1.98 135.00 135.95 2k5g s PRO 97 Ca 0.20 1.60 -0.13 0.00 0.02 0.00 0.00 61.00 62.69 2k5g s PRO 97 Cb -0.19 -2.98 0.08 0.00 0.02 0.00 0.00 34.50 31.43 2k5g s PRO 97 CO -0.05 0.18 0.35 -1.25 -0.33 0.00 0.00 177.00 175.90 2k5g s PRO 98 N -1.77 2.84 0.00 5.54 0.04 -1.26 -5.03 135.00 135.36 2k5g s PRO 98 Ca 0.48 -1.41 0.00 0.00 0.04 0.00 0.00 61.00 60.12 2k5g s PRO 98 Cb -0.26 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.27 2k5g s PRO 98 CO 0.33 -1.01 0.00 -2.13 0.04 0.00 0.00 177.00 174.23 2k5g n ARG 99 N 5.10 0.00 -4.31 4.56 3.00 -0.84 -4.92 116.66 119.25 2k5g n ARG 99 Ca -0.12 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.54 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 -0.81 0.68 -0.03 5.15 1.01 -1.19 -1.91 120.40 123.31 2k5g s VAL 100 Ca 0.00 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.72 2k5g s VAL 100 Cb 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.76 2k5g s VAL 100 CO 0.00 0.22 -0.11 -1.48 0.00 0.00 0.00 175.10 173.74 2k5g s LEU 101 N 0.30 1.84 -0.01 3.92 0.05 -0.34 -1.68 118.68 122.76 2k5g s LEU 101 Ca -0.04 -0.21 0.00 0.00 0.05 0.00 0.00 54.13 53.93 2k5g s LEU 101 Cb -0.09 -0.62 0.01 0.00 -2.05 0.00 0.00 46.19 43.44 2k5g s LEU 101 CO 0.00 0.09 -0.01 0.00 -0.55 0.00 0.00 176.35 175.89 2k5g s ALA 102 N 0.09 0.18 0.16 1.48 0.00 0.32 0.33 121.76 124.31 2k5g s ALA 102 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.97 2k5g s ALA 102 Cb -0.08 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 2k5g s ALA 102 CO 0.01 -0.01 0.04 -0.48 0.00 0.00 0.00 175.76 175.32 2k5g s LEU 103 N 0.34 1.89 0.04 0.00 0.05 -0.12 0.18 118.68 121.06 2k5g s LEU 103 Ca -0.03 -1.21 -0.10 0.00 0.05 0.00 0.00 54.13 52.84 2k5g s LEU 103 Cb -0.05 0.14 -0.05 0.00 -2.05 0.00 0.00 46.19 44.17 2k5g s LEU 103 CO -0.01 -0.67 0.36 0.28 -0.55 0.00 0.00 176.35 175.76 2k5g s THR 104 N -3.87 5.15 -0.32 5.48 -1.32 -0.43 0.73 115.64 121.07 2k5g s THR 104 Ca 0.25 0.44 -0.00 0.00 -1.21 0.00 0.00 61.69 61.17 2k5g s THR 104 Cb 0.07 -3.63 0.14 0.00 -1.51 0.00 0.00 72.50 67.57 2k5g s THR 104 CO 0.04 0.37 0.28 0.86 -2.21 0.00 0.00 174.62 173.96 2k5g s TRP 105 N -1.30 -0.17 -5.00 9.09 -0.11 0.27 -4.62 118.94 117.11 2k5g s TRP 105 Ca 0.29 -0.60 0.00 0.00 1.22 0.00 0.00 56.10 57.01 2k5g s TRP 105 Cb -0.14 -0.57 0.00 0.00 -1.50 0.00 0.00 33.47 31.26 2k5g s TRP 105 CO 0.16 -0.91 0.00 0.41 -4.62 0.00 0.00 176.95 171.99 2k5g n GLY 106 N 4.90 -0.02 0.00 5.86 0.00 -1.25 -3.43 105.19 111.24 2k5g n GLY 106 Ca 0.02 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.78 2k5g n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5g n GLY 107 N 0.00 1.18 3.67 -0.02 0.00 -1.26 -4.79 105.19 103.97 2k5g n GLY 107 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.66 1.58 0.00 -0.02 0.00 -1.26 -4.78 107.32 101.17 2k5g s GLY 108 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.47 2k5g s GLY 108 CO 0.00 0.34 0.00 0.00 0.00 0.00 0.00 173.10 173.44 2k5g n ALA 109 N -4.18 0.00 -1.74 3.20 0.00 -1.26 -3.74 120.51 112.79 2k5g n ALA 109 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.20 2k5g n ALA 109 Cb 0.56 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.06 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 0.00 6.10 3.68 0.00 0.00 -1.26 -5.01 105.19 108.71 2k5g n GLY 110 Ca 0.00 -2.51 -0.30 0.00 0.00 0.00 0.00 46.02 43.21 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 -3.73 2.08 0.36 1.61 0.41 -1.25 -5.13 118.70 113.06 2k5g s GLU 111 Ca 0.57 -2.27 -0.25 0.00 -0.41 0.00 0.00 54.97 52.61 2k5g s GLU 111 Cb 0.45 -1.47 -0.10 0.00 -1.78 0.00 0.00 34.13 31.24 2k5g s GLU 111 CO -0.03 -0.26 1.00 0.00 -0.49 0.00 0.00 175.26 175.49 2k5g s ALA 112 N -2.87 3.15 0.35 5.21 0.00 -1.26 -4.73 121.76 121.61 2k5g s ALA 112 Ca 0.18 0.62 -0.28 0.00 0.00 0.00 0.00 51.96 52.47 2k5g s ALA 112 Cb 0.05 -3.23 -0.11 0.00 0.00 0.00 0.00 23.12 19.83 2k5g s ALA 112 CO 0.09 -0.02 1.37 -2.14 0.00 0.00 0.00 175.76 175.06 2k5g s PRO 113 N -2.29 4.27 0.63 0.00 0.02 -1.26 -4.58 135.00 131.78 2k5g s PRO 113 Ca 0.54 2.34 -0.06 0.00 0.02 0.00 0.00 61.00 63.84 2k5g s PRO 113 Cb -0.20 -3.04 0.03 0.00 0.02 0.00 0.00 34.50 31.31 2k5g s PRO 113 CO 0.26 -0.30 0.93 -1.12 -0.33 0.00 0.00 177.00 176.44 2k5g s SER 114 N -0.36 5.32 0.06 2.53 0.01 -1.22 -4.88 113.70 115.15 2k5g s SER 114 Ca 0.50 0.59 0.05 0.00 1.31 0.00 0.00 55.95 58.40 2k5g s SER 114 Cb -0.42 -1.47 -0.03 0.00 0.21 0.00 0.00 66.02 64.32 2k5g s SER 114 CO 0.56 -1.24 -0.13 -1.83 0.41 0.00 0.00 173.24 171.00 2k5g s GLU 115 N -5.06 0.82 -0.24 12.44 1.03 -0.41 0.98 118.70 128.25 2k5g s GLU 115 Ca 0.56 -0.87 -0.05 0.00 0.03 0.00 0.00 54.97 54.64 2k5g s GLU 115 Cb -0.11 -0.81 -0.01 0.00 -0.80 0.00 0.00 34.13 32.41 2k5g s GLU 115 CO 0.45 0.18 -0.00 0.08 -1.33 0.00 0.00 175.26 174.64 2k5g s VAL 116 N -1.14 3.65 -0.33 1.83 1.01 0.22 0.26 120.40 125.90 2k5g s VAL 116 Ca -0.02 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 2k5g s VAL 116 Cb -0.09 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 2k5g s VAL 116 CO 0.02 0.36 0.20 -0.22 0.00 0.00 0.00 175.10 175.45 2k5g s LEU 117 N 1.51 4.37 -0.31 3.92 1.98 0.16 -0.94 118.68 129.37 2k5g s LEU 117 Ca 0.05 -0.56 -0.16 0.00 -2.89 0.00 0.00 54.13 50.57 2k5g s LEU 117 Cb -0.15 -2.06 -0.02 0.00 0.66 0.00 0.00 46.19 44.62 2k5g s LEU 117 CO -0.01 -0.24 0.42 -0.36 -1.89 0.00 0.00 176.35 174.26 2k5g s PHE 118 N 1.65 3.22 -0.24 5.38 0.08 0.15 0.41 117.98 128.63 2k5g s PHE 118 Ca 0.05 0.25 0.02 0.00 0.12 0.00 0.00 56.93 57.36 2k5g s PHE 118 Cb -0.17 -2.70 0.06 0.00 -0.57 0.00 0.00 43.02 39.63 2k5g s PHE 118 CO 0.08 -0.37 -0.08 -1.21 -0.10 0.00 0.00 175.22 173.54 2k5g s GLU 119 N 2.16 1.95 -0.09 0.44 2.02 -0.45 -1.20 118.70 123.52 2k5g s GLU 119 Ca 0.15 -1.15 -0.01 0.00 0.02 0.00 0.00 54.97 53.98 2k5g s GLU 119 Cb -0.16 -2.72 -0.03 0.00 0.10 0.00 0.00 34.13 31.32 2k5g s GLU 119 CO 0.11 -0.57 -0.02 -0.51 0.02 0.00 0.00 175.26 174.29 2k5g s LEU 120 N 1.25 3.46 0.01 1.80 1.43 -0.80 -1.95 118.68 123.89 2k5g s LEU 120 Ca -0.07 0.08 -0.00 0.00 -1.03 0.00 0.00 54.13 53.11 2k5g s LEU 120 Cb -0.19 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 2k5g s LEU 120 CO -0.06 0.35 -0.01 -0.44 0.23 0.00 0.00 176.35 176.43 2k5g s SER 121 N -0.74 0.14 0.22 2.29 0.01 -0.98 -4.70 113.70 109.93 2k5g s SER 121 Ca 0.11 -0.29 -0.08 0.00 1.31 0.00 0.00 55.95 57.01 2k5g s SER 121 Cb -0.11 0.07 -0.07 0.00 0.21 0.00 0.00 66.02 66.12 2k5g s SER 121 CO 0.02 -0.18 0.51 -1.83 0.41 0.00 0.00 173.24 172.16 2k5g s GLU 122 N -0.88 3.73 -0.44 12.44 -1.05 -1.26 -0.75 118.70 130.50 2k5g s GLU 122 Ca -0.10 0.14 0.06 0.00 -0.15 0.00 0.00 54.97 54.92 2k5g s GLU 122 Cb -0.06 -2.70 0.20 0.00 -0.44 0.00 0.00 34.13 31.13 2k5g s GLU 122 CO -0.01 0.34 0.43 0.00 0.95 0.00 0.00 175.26 176.98 2k5g n ALA 123 N -0.20 2.81 -0.48 -0.84 0.00 0.28 -4.84 120.51 117.24 2k5g n ALA 123 Ca -0.01 -3.39 0.00 0.00 0.00 0.00 0.00 53.44 50.05 2k5g n ALA 123 Cb 0.52 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.18 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 2.19 1.49 1.33 0.00 0.00 -1.26 -1.43 105.19 107.51 2k5g n GLY 124 Ca 0.26 0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.39 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 3.38 -4.36 1.61 1.02 -1.26 -4.56 120.64 116.48 2k5g n GLU 125 Ca 0.00 -2.99 -0.18 0.00 -0.02 0.00 0.00 57.16 53.96 2k5g n GLU 125 Cb 0.00 -2.00 -0.10 0.00 -0.02 0.00 0.00 31.44 29.32 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 -2.89 1.51 -0.00 3.49 -0.21 -0.51 -2.35 119.66 118.69 2k5g s GLN 126 Ca 0.47 -1.84 -0.01 0.00 0.02 0.00 0.00 55.36 54.01 2k5g s GLN 126 Cb 0.38 -0.37 -0.00 0.00 1.00 0.00 0.00 33.01 34.02 2k5g s GLN 126 CO 0.10 -0.31 0.01 0.54 -2.12 0.00 0.00 175.29 173.52 2k5g s VAL 127 N -3.62 0.03 -0.27 1.09 0.11 -0.52 0.99 120.40 118.21 2k5g s VAL 127 Ca 0.36 -0.21 -0.12 0.00 -2.93 0.00 0.00 61.98 59.09 2k5g s VAL 127 Cb 0.07 -0.10 -0.05 0.00 -1.53 0.00 0.00 36.38 34.78 2k5g s VAL 127 CO 0.15 -0.11 0.23 -0.60 -3.33 0.00 0.00 175.10 171.44 2k5g s ARG 128 N -0.34 3.99 -0.18 1.54 3.52 0.08 0.15 118.95 127.70 2k5g s ARG 128 Ca -0.04 -0.21 -0.06 0.00 -0.13 0.00 0.00 55.73 55.28 2k5g s ARG 128 Cb -0.02 -3.64 -0.04 0.00 -1.56 0.00 0.00 34.95 29.69 2k5g s ARG 128 CO -0.00 -0.17 0.04 -1.17 -0.81 0.00 0.00 175.30 173.19 2k5g s LEU 129 N 1.72 3.62 -0.15 -0.88 0.20 0.31 -2.32 118.68 121.17 2k5g s LEU 129 Ca 0.09 -0.01 0.00 0.00 0.69 0.00 0.00 54.13 54.90 2k5g s LEU 129 Cb -0.16 -1.91 0.02 0.00 -0.43 0.00 0.00 46.19 43.72 2k5g s LEU 129 CO 0.10 0.14 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.48 2k5g s VAL 130 N 0.54 1.51 -0.37 1.68 1.01 -0.82 -0.80 120.40 123.14 2k5g s VAL 130 Ca 0.02 -0.62 -0.16 0.00 0.00 0.00 0.00 61.98 61.21 2k5g s VAL 130 Cb -0.13 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.81 2k5g s VAL 130 CO 0.01 0.42 0.41 -0.22 0.00 0.00 0.00 175.10 175.73 2k5g s LEU 131 N 1.51 4.58 -0.52 3.92 0.20 -0.37 -1.35 118.68 126.65 2k5g s LEU 131 Ca 0.04 -0.36 -0.05 0.00 0.69 0.00 0.00 54.13 54.45 2k5g s LEU 131 Cb -0.13 -2.40 0.14 0.00 -0.43 0.00 0.00 46.19 43.37 2k5g s LEU 131 CO -0.10 -0.45 0.36 -0.89 -0.29 0.00 0.00 176.35 174.97 2k5g s THR 132 N 2.13 3.83 -0.44 3.68 2.01 0.17 -1.70 115.64 125.31 2k5g s THR 132 Ca 0.13 -2.30 -0.19 0.00 0.31 0.00 0.00 61.69 59.64 2k5g s THR 132 Cb -0.17 -3.53 0.03 0.00 0.01 0.00 0.00 72.50 68.84 2k5g s THR 132 CO 0.13 -0.80 0.55 -2.28 -0.69 0.00 0.00 174.62 171.53 2k5g s HIS 133 N 0.75 3.11 0.40 4.92 5.04 0.30 0.37 115.29 130.19 2k5g s HIS 133 Ca 0.11 -0.30 0.08 0.00 -1.54 0.00 0.00 55.06 53.40 2k5g s HIS 133 Cb -0.22 -3.18 -0.03 0.00 0.04 0.00 0.00 32.58 29.18 2k5g s HIS 133 CO -0.03 -0.83 0.28 0.95 -2.34 0.00 0.00 174.74 172.77 2k5g s THR 134 N 2.47 2.66 -0.87 0.89 -4.23 0.14 -1.72 115.64 114.97 2k5g s THR 134 Ca 0.16 -1.50 -0.03 0.00 -1.18 0.00 0.00 61.69 59.13 2k5g s THR 134 Cb -0.17 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.67 2k5g s THR 134 CO 0.15 -0.04 0.46 -1.14 -0.54 0.00 0.00 174.62 173.51 2k5g n ARG 135 N -1.38 -3.39 -2.68 3.99 0.63 -1.26 -1.29 116.66 111.27 2k5g n ARG 135 Ca 0.01 0.52 -0.43 0.00 -0.92 0.00 0.00 57.85 57.02 2k5g n ARG 135 Cb 0.62 -4.56 -0.03 0.00 0.45 0.00 0.00 32.46 28.95 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 -4.26 3.80 0.12 6.15 1.43 -1.26 -4.04 118.68 120.62 2k5g s LEU 136 Ca 0.23 0.47 0.14 0.00 -1.03 0.00 0.00 54.13 53.94 2k5g s LEU 136 Cb -0.10 -3.43 -0.10 0.00 0.03 0.00 0.00 46.19 42.59 2k5g s LEU 136 CO 0.28 -1.11 1.04 0.00 0.23 0.00 0.00 176.35 176.79 2k5g h ALA 137 N 8.96 0.63 -2.87 4.21 0.00 -1.93 -3.49 119.26 124.78 2k5g h ALA 137 Ca -0.23 -0.81 -0.02 0.00 0.00 0.00 0.00 54.91 53.84 2k5g h ALA 137 Cb 1.07 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.90 2k5g h ALA 137 CO 1.08 0.96 0.03 0.34 0.00 0.00 0.00 179.25 181.65 2k5g s ASP 138 N -6.13 -0.27 0.53 0.00 2.15 -1.26 -5.03 116.67 106.66 2k5g s ASP 138 Ca -0.01 -0.46 0.20 0.00 0.43 0.00 0.00 52.55 52.71 2k5g s ASP 138 Cb 0.08 0.58 1.38 0.00 -0.30 0.00 0.00 42.92 44.66 2k5g s ASP 138 CO 0.80 -1.04 2.15 0.08 -0.17 0.00 0.00 175.17 176.98 2k5g h ARG 139 N 2.20 0.00 0.00 4.34 -0.00 -1.94 0.80 114.38 119.78 2k5g h ARG 139 Ca -0.29 0.00 -0.06 0.00 -0.00 0.00 0.00 59.98 59.63 2k5g h ARG 139 Cb 1.26 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.22 2k5g h ARG 139 CO 0.38 0.03 -0.31 0.00 -0.00 0.00 0.00 179.97 180.07 2k5g h ALA 140 N 1.97 1.33 0.18 0.08 0.00 -1.95 -1.17 119.26 119.69 2k5g h ALA 140 Ca -0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2k5g h ALA 140 Cb 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2k5g h ALA 140 CO 0.00 0.38 -0.09 0.00 0.00 0.00 0.00 179.25 179.55 2k5g h ALA 141 N 1.69 -0.24 -0.61 0.00 0.00 -1.24 0.38 119.26 119.24 2k5g h ALA 141 Ca -0.00 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 54.84 2k5g h ALA 141 Cb 0.61 0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.39 2k5g h ALA 141 CO 0.04 -0.44 -0.02 0.52 0.00 0.00 0.00 179.25 179.35 2k5g h MET 142 N -0.63 0.09 0.00 0.00 2.86 -1.36 0.15 114.93 116.04 2k5g h MET 142 Ca -0.02 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.57 2k5g h MET 142 Cb 0.46 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 2k5g h MET 142 CO 0.04 0.06 -0.18 -0.07 1.06 0.00 0.00 176.91 177.82 2k5g h LEU 143 N 0.10 0.00 -0.13 1.22 3.38 -1.09 0.19 115.31 118.98 2k5g h LEU 143 Ca 0.32 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.22 2k5g h LEU 143 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 2k5g h LEU 143 CO -0.54 0.18 -0.16 -0.78 0.09 0.00 0.00 178.44 177.23 2k5g h ASP 144 N 0.00 0.38 1.09 -0.43 3.58 0.26 -3.10 116.42 118.19 2k5g h ASP 144 Ca -0.00 -0.50 0.00 0.00 0.42 0.00 0.00 57.03 56.95 2k5g h ASP 144 Cb 0.61 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.55 2k5g h ASP 144 CO 0.02 0.80 -0.32 1.33 -2.88 0.00 0.00 179.24 178.20 2k5g n VAL 145 N -4.54 0.40 0.08 2.25 0.24 -0.52 -3.76 118.33 112.47 2k5g n VAL 145 Ca -0.06 -0.24 -0.12 0.00 -2.04 0.00 0.00 64.34 61.88 2k5g n VAL 145 Cb 0.38 -0.31 -0.05 0.00 -1.47 0.00 0.00 33.84 32.39 2k5g n VAL 145 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k5g h ALA 146 N 2.59 -0.31 -0.28 2.33 0.00 -0.54 0.17 119.26 123.22 2k5g h ALA 146 Ca 0.00 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.23 2k5g h ALA 146 Cb 0.70 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 2k5g h ALA 146 CO 0.00 -0.73 2.62 0.41 0.00 0.00 0.00 179.25 181.55 2k5g n GLY 147 N -1.34 3.41 0.00 0.00 0.00 -1.22 -3.94 105.19 102.10 2k5g n GLY 147 Ca -0.05 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 4.65 3.21 0.11 -0.02 0.00 -1.24 -4.98 105.19 106.91 2k5g n GLY 148 Ca 0.50 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.14 -0.72 1.61 2.91 -0.86 -3.16 115.95 115.60 2k5g h TRP 149 Ca 0.00 -0.00 0.14 0.00 1.13 0.00 0.00 58.89 60.16 2k5g h TRP 149 Cb 0.00 0.04 -0.10 0.00 -0.51 0.00 0.00 29.16 28.60 2k5g h TRP 149 CO 0.00 0.33 0.22 1.25 -1.03 0.00 0.00 178.44 179.21 2k5g h HIS 150 N -0.68 0.36 -0.96 2.65 2.76 -1.41 -0.39 115.15 117.48 2k5g h HIS 150 Ca -0.01 0.04 0.17 0.00 -2.20 0.00 0.00 60.37 58.37 2k5g h HIS 150 Cb 0.53 -0.05 -0.09 0.00 1.55 0.00 0.00 27.41 29.35 2k5g h HIS 150 CO 0.09 -0.02 0.61 0.00 -1.30 0.00 0.00 177.93 177.31 2k5g h ALA 151 N 1.56 1.81 0.00 5.26 0.00 -1.75 -1.39 119.26 124.76 2k5g h ALA 151 Ca 0.40 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 2k5g h ALA 151 Cb 0.64 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2k5g h ALA 151 CO -0.45 -0.12 -0.02 1.12 0.00 0.00 0.00 179.25 179.78 2k5g h HIS 152 N 0.70 0.00 -0.11 0.00 2.07 -1.05 -0.62 115.15 116.14 2k5g h HIS 152 Ca 0.51 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.96 2k5g h HIS 152 Cb 0.86 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.83 2k5g h HIS 152 CO -0.00 0.02 -0.28 -0.07 -3.07 0.00 0.00 177.93 174.53 2k5g h LEU 153 N 0.00 0.21 0.15 6.12 3.38 -1.34 0.67 115.31 124.49 2k5g h LEU 153 Ca -0.00 -0.06 -0.29 0.00 0.09 0.00 0.00 57.88 57.61 2k5g h LEU 153 Cb 0.27 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.97 2k5g h LEU 153 CO 0.00 0.49 -1.36 0.00 0.09 0.00 0.00 178.44 177.67 2k5g h ALA 154 N 1.53 0.10 -0.44 1.53 0.00 -1.26 -3.23 119.26 117.48 2k5g h ALA 154 Ca 0.03 -0.94 -0.09 0.00 0.00 0.00 0.00 54.91 53.91 2k5g h ALA 154 Cb 0.60 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2k5g h ALA 154 CO 0.04 0.97 -0.09 0.28 0.00 0.00 0.00 179.25 180.45 2k5g h VAL 155 N 0.08 1.25 -0.11 0.00 2.07 -1.21 -1.42 116.25 116.91 2k5g h VAL 155 Ca -0.18 -1.14 0.04 0.00 0.82 0.00 0.00 66.70 66.24 2k5g h VAL 155 Cb 2.02 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 32.76 2k5g h VAL 155 CO 0.20 0.39 -0.18 -0.07 0.02 0.00 0.00 177.57 177.94 2k5g h LEU 156 N 0.70 -0.56 -0.24 2.57 3.38 -0.93 0.15 115.31 120.39 2k5g h LEU 156 Ca 0.12 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2k5g h LEU 156 Cb 0.57 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2k5g h LEU 156 CO 0.04 -0.23 0.12 0.00 0.09 0.00 0.00 178.44 178.45 2k5g h ALA 157 N 0.78 0.31 -0.66 1.53 0.00 -1.52 0.11 119.26 119.80 2k5g h ALA 157 Ca 0.09 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2k5g h ALA 157 Cb 0.37 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 2k5g h ALA 157 CO -0.25 -0.14 0.40 0.78 0.00 0.00 0.00 179.25 180.04 2k5g h GLY 158 N 0.26 0.96 0.67 0.00 0.00 -1.01 0.80 103.07 104.76 2k5g h GLY 158 Ca 0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 2k5g h GLY 158 CO -0.01 0.22 -0.24 1.70 0.00 0.00 0.00 176.54 178.21 2k5g h LYS 159 N 0.76 -0.64 0.00 4.80 1.63 -0.45 -2.20 116.57 120.47 2k5g h LYS 159 Ca 0.28 0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 60.12 2k5g h LYS 159 Cb 0.08 0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 31.86 2k5g h LYS 159 CO -0.13 -0.34 -0.03 -0.07 -3.45 0.00 0.00 179.45 175.43 2k5g h LEU 160 N -1.00 0.00 -1.35 5.20 3.38 -0.72 0.29 115.31 121.12 2k5g h LEU 160 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2k5g h LEU 160 Cb 0.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 2k5g h LEU 160 CO 0.11 0.03 -0.06 0.00 0.09 0.00 0.00 178.44 178.61 2k5g h ALA 161 N 1.97 1.01 0.00 1.53 0.00 -0.84 -3.43 119.26 119.50 2k5g h ALA 161 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2k5g h ALA 161 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2k5g h ALA 161 CO 0.00 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.73 2k5g n GLY 162 N 0.07 0.93 0.00 0.00 0.00 0.09 -5.07 105.19 101.22 2k5g n GLY 162 Ca 0.01 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.58 1.33 -3.12 1.61 10.64 -0.84 -5.06 117.38 120.36 2k5g n GLN 163 Ca 0.00 0.00 -0.38 0.00 -1.83 0.00 0.00 57.00 54.79 2k5g n GLN 163 Cb 0.18 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.50 2k5g n GLN 163 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2k5g s ALA 164 N -2.00 3.49 0.35 2.61 0.00 -1.26 -4.32 121.76 120.64 2k5g s ALA 164 Ca 0.00 0.19 -0.04 0.00 0.00 0.00 0.00 51.96 52.10 2k5g s ALA 164 Cb 0.00 -2.80 -0.05 0.00 0.00 0.00 0.00 23.12 20.27 2k5g s ALA 164 CO 0.00 0.34 0.62 -1.25 0.00 0.00 0.00 175.76 175.48 2k5g s PRO 165 N -1.39 3.60 0.67 0.00 0.05 -1.26 -4.78 135.00 131.89 2k5g s PRO 165 Ca 0.36 0.02 -0.17 0.00 0.05 0.00 0.00 61.00 61.26 2k5g s PRO 165 Cb -0.20 -2.57 0.01 0.00 0.05 0.00 0.00 34.50 31.79 2k5g s PRO 165 CO 0.22 0.09 1.22 -1.25 0.05 0.00 0.00 177.00 177.33 2k5g s PRO 166 N -4.00 2.48 0.34 0.56 0.04 -1.26 -4.64 135.00 128.52 2k5g s PRO 166 Ca 0.44 1.82 -0.29 0.00 0.04 0.00 0.00 61.00 63.01 2k5g s PRO 166 Cb -0.10 -1.87 -0.11 0.00 0.04 0.00 0.00 34.50 32.45 2k5g s PRO 166 CO 0.34 -1.59 1.52 -0.35 0.04 0.00 0.00 177.00 176.97 2k5g n PRO 167 N -2.23 2.64 0.30 0.56 -0.04 -1.26 -4.86 135.00 130.11 2k5g n PRO 167 Ca 0.14 0.93 0.17 0.00 -0.04 0.00 0.00 63.50 64.70 2k5g n PRO 167 Cb 0.50 -2.67 0.96 0.00 -0.04 0.00 0.00 33.50 32.25 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 3.68 0.00 0.43 0.54 3.57 -1.40 -2.79 116.94 120.96 2k5g h PHE 168 Ca -0.49 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 60.99 2k5g h PHE 168 Cb 1.24 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.98 2k5g h PHE 168 CO 0.55 0.03 -0.20 2.35 -2.23 0.00 0.00 178.31 178.80 2k5g h TRP 169 N 0.00 -0.53 -0.06 0.41 7.01 -1.80 -1.99 115.95 118.99 2k5g h TRP 169 Ca -0.00 -0.01 -0.13 0.00 2.11 0.00 0.00 58.89 60.86 2k5g h TRP 169 Cb 0.10 0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.32 2k5g h TRP 169 CO 0.00 -0.25 -0.53 0.00 -2.79 0.00 0.00 178.44 174.87 2k5g h THR 170 N -0.73 1.36 -0.07 2.65 1.03 -1.88 -2.24 112.91 113.04 2k5g h THR 170 Ca -0.06 -1.81 -0.16 0.00 -0.01 0.00 0.00 66.41 64.37 2k5g h THR 170 Cb 0.52 1.91 -0.01 0.00 -1.07 0.00 0.00 68.15 69.49 2k5g h THR 170 CO 0.10 0.53 -0.67 0.71 -0.01 0.00 0.00 175.52 176.18 2k5g h THR 171 N 0.14 1.40 0.10 0.00 1.35 -1.56 0.24 112.91 114.57 2k5g h THR 171 Ca 0.00 -2.10 -0.00 0.00 -0.55 0.00 0.00 66.41 63.75 2k5g h THR 171 Cb 0.98 2.08 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 2k5g h THR 171 CO 0.08 0.62 -0.05 0.25 -0.25 0.00 0.00 175.52 176.18 2k5g h LEU 172 N 0.21 -0.11 -0.67 3.87 6.46 -1.07 -0.69 115.31 123.31 2k5g h LEU 172 Ca -0.02 -0.18 -0.09 0.00 -0.12 0.00 0.00 57.88 57.48 2k5g h LEU 172 Cb 1.21 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 41.15 2k5g h LEU 172 CO 0.11 0.11 0.06 0.00 -0.62 0.00 0.00 178.44 178.10 2k5g h ALA 173 N 0.54 0.88 0.01 1.25 0.00 -1.31 -0.98 119.26 119.66 2k5g h ALA 173 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2k5g h ALA 173 Cb 0.28 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2k5g h ALA 173 CO 0.02 0.67 -0.02 0.37 0.00 0.00 0.00 179.25 180.29 2k5g h GLN 174 N 1.01 -0.04 -0.53 0.00 4.15 -0.49 0.45 115.11 119.67 2k5g h GLN 174 Ca 0.19 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.59 2k5g h GLN 174 Cb 0.50 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.17 2k5g h GLN 174 CO 0.02 -0.03 0.24 0.00 -1.93 0.00 0.00 178.83 177.14 2k5g h ALA 175 N 0.95 0.68 -0.14 3.38 0.00 -0.99 0.31 119.26 123.45 2k5g h ALA 175 Ca 0.00 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.83 2k5g h ALA 175 Cb 0.04 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 2k5g h ALA 175 CO -0.01 0.26 -0.21 0.93 0.00 0.00 0.00 179.25 180.22 2k5g h GLU 176 N 0.71 -0.26 -0.49 0.00 4.39 -0.96 -1.28 114.58 116.69 2k5g h GLU 176 Ca 0.18 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.85 2k5g h GLU 176 Cb 0.14 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 2k5g h GLU 176 CO -0.02 -0.17 0.12 1.96 -1.16 0.00 0.00 179.01 179.74 2k5g h GLN 177 N -0.27 0.74 0.42 2.33 1.08 -0.55 -0.10 115.11 118.76 2k5g h GLN 177 Ca 0.10 -0.14 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 2k5g h GLN 177 Cb 0.42 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 2k5g h GLN 177 CO -0.29 0.67 -0.20 0.22 -0.95 0.00 0.00 178.83 178.28 2k5g h ASP 178 N 0.72 -0.48 1.06 1.46 3.58 0.36 0.36 116.42 123.47 2k5g h ASP 178 Ca 0.16 -0.02 -0.13 0.00 0.42 0.00 0.00 57.03 57.45 2k5g h ASP 178 Cb 0.26 0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.42 2k5g h ASP 178 CO -0.00 -0.28 -0.64 1.88 -2.88 0.00 0.00 179.24 177.31 2k5g h TYR 179 N -0.64 0.00 -0.20 0.28 0.05 -1.24 -2.98 116.97 112.24 2k5g h TYR 179 Ca -0.06 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.63 2k5g h TYR 179 Cb 0.47 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.20 2k5g h TYR 179 CO -0.03 0.64 -0.27 1.49 -1.05 0.00 0.00 178.16 178.94 2k5g h GLU 180 N 0.00 0.39 -0.16 4.88 4.22 -0.93 -2.91 114.58 120.08 2k5g h GLU 180 Ca -0.01 -0.15 0.05 0.00 0.08 0.00 0.00 59.36 59.33 2k5g h GLU 180 Cb 1.34 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 2k5g h GLU 180 CO 0.08 0.64 0.11 0.37 -2.18 0.00 0.00 179.01 178.04 2k5g h GLN 181 N 0.35 0.00 -0.52 1.92 5.75 -0.75 -1.82 115.11 120.03 2k5g h GLN 181 Ca 0.05 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.53 2k5g h GLN 181 Cb 0.67 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.19 2k5g h GLN 181 CO 0.05 0.00 0.26 0.00 -2.65 0.00 0.00 178.83 176.49 2k5g h ARG 182 N 0.00 0.72 -5.76 1.69 3.08 -1.61 -3.48 114.38 109.02 2k5g h ARG 182 Ca 0.07 -0.08 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 2k5g h ARG 182 Cb 0.30 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2k5g h ARG 182 CO -0.00 0.56 -0.90 1.28 -1.07 0.00 0.00 179.97 179.84 2k5g n LEU 183 N -4.38 -5.83 -3.69 3.04 4.77 -0.69 -5.03 117.00 105.19 2k5g n LEU 183 Ca 0.04 0.58 -0.28 0.00 -0.03 0.00 0.00 56.01 56.32 2k5g n LEU 183 Cb 0.12 -2.61 -0.16 0.00 -2.33 0.00 0.00 43.42 38.44 2k5g n LEU 183 CO 0.37 -1.84 -0.35 -0.22 -1.33 0.00 0.00 177.39 174.02 2k5g s LEU 184 N -2.01 1.12 0.08 2.23 2.96 -1.26 -5.13 118.68 116.67 2k5g s LEU 184 Ca 0.17 -0.95 0.08 0.00 -0.22 0.00 0.00 54.13 53.22 2k5g s LEU 184 Cb -0.03 -0.55 -0.04 0.00 0.50 0.00 0.00 46.19 46.07 2k5g s LEU 184 CO 0.65 -0.34 -0.19 -0.70 -1.32 0.00 0.00 176.35 174.45 2k5g s GLU 185 N 1.90 1.88 0.00 1.98 -6.30 -1.26 -4.99 118.70 111.91 2k5g s GLU 185 Ca 0.02 -1.10 0.00 0.00 -2.50 0.00 0.00 54.97 51.39 2k5g s GLU 185 Cb -0.17 -2.12 0.00 0.00 0.00 0.00 0.00 34.13 31.84 2k5g s GLU 185 CO -0.14 0.51 0.16 1.58 0.02 0.00 0.00 175.26 177.39 2k5g n HIS 186 N 1.20 0.00 -2.25 5.30 -0.00 -1.26 -5.08 115.22 113.14 2k5g n HIS 186 Ca -0.16 -0.00 -0.00 0.00 -0.00 0.00 0.00 57.72 57.55 2k5g n HIS 186 Cb 0.52 -0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.51 2k5g n HIS 186 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k5g n HIS 187 N -0.00 -2.42 0.03 1.57 8.25 -1.26 -4.97 115.22 116.41 2k5g n HIS 187 Ca 0.00 1.07 -0.07 0.00 -0.26 0.00 0.00 57.72 58.45 2k5g n HIS 187 Cb 0.18 -3.05 -0.12 0.00 1.12 0.00 0.00 29.99 28.12 2k5g n HIS 187 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2k5g h HIS 188 N 1.80 0.00 -1.60 4.41 6.17 -2.01 -3.50 115.15 120.42 2k5g h HIS 188 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 2k5g h HIS 188 Cb 0.06 0.00 0.00 0.00 2.52 0.00 0.00 27.41 29.99 2k5g h HIS 188 CO 0.01 0.98 -0.39 1.58 0.71 0.00 0.00 177.93 180.82 2k5g n HIS 189 N -3.23 -1.89 -3.27 5.26 -0.00 -1.26 -4.96 115.22 105.87 2k5g n HIS 189 Ca -0.06 1.01 -0.39 0.00 0.46 0.00 0.00 57.72 58.74 2k5g n HIS 189 Cb 0.97 -2.14 -0.06 0.00 -0.12 0.00 0.00 29.99 28.64 2k5g n HIS 189 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2k5g s HIS 190 N -2.39 3.80 -2.89 1.57 2.46 -1.26 -5.26 115.29 111.33 2k5g s HIS 190 Ca 0.00 1.28 0.25 0.00 0.47 0.00 0.00 55.06 57.06 2k5g s HIS 190 Cb 0.00 -2.50 0.38 0.00 -0.13 0.00 0.00 32.58 30.33 2k5g s HIS 190 CO 0.00 0.58 1.37 -2.39 -2.47 0.00 0.00 174.74 171.83