#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 -4.09 -3.91 3.17 -1.04 -1.26 -4.98 114.28 102.17 2k5g n THR 2 Ca 0.00 -0.23 -0.35 0.00 -2.04 0.00 0.00 64.05 61.43 2k5g n THR 2 Cb 0.00 -4.18 -0.10 0.00 -1.82 0.00 0.00 70.33 64.22 2k5g n THR 2 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2k5g s SER 3 N -3.80 5.60 0.72 8.00 1.04 -1.26 -5.09 113.70 118.92 2k5g s SER 3 Ca 0.33 0.03 -0.16 0.00 0.48 0.00 0.00 55.95 56.63 2k5g s SER 3 Cb -0.15 -1.98 0.03 0.00 0.10 0.00 0.00 66.02 64.02 2k5g s SER 3 CO 0.75 0.12 1.23 -2.16 0.98 0.00 0.00 173.24 174.16 2k5g s PRO 4 N 0.72 2.18 0.38 4.02 0.04 -1.26 -4.91 135.00 136.16 2k5g s PRO 4 Ca 0.04 1.85 0.08 0.00 0.04 0.00 0.00 61.00 63.02 2k5g s PRO 4 Cb -0.13 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 2k5g s PRO 4 CO 0.02 -1.83 0.12 0.45 0.04 0.00 0.00 177.00 175.80 2k5g s SER 5 N -1.85 4.39 0.07 6.66 0.15 -1.26 -3.78 113.70 118.08 2k5g s SER 5 Ca 0.77 -1.00 -0.03 0.00 0.70 0.00 0.00 55.95 56.39 2k5g s SER 5 Cb -0.32 -0.54 -0.03 0.00 -1.71 0.00 0.00 66.02 63.42 2k5g s SER 5 CO 0.44 -0.41 0.02 -0.55 1.20 0.00 0.00 173.24 173.95 2k5g s SER 6 N -3.83 0.40 0.00 5.45 0.15 -1.26 -4.93 113.70 109.67 2k5g s SER 6 Ca 0.38 -0.95 0.24 0.00 0.70 0.00 0.00 55.95 56.32 2k5g s SER 6 Cb 0.02 0.24 1.10 0.00 -1.71 0.00 0.00 66.02 65.67 2k5g s SER 6 CO 0.22 -0.64 1.78 0.00 1.20 0.00 0.00 173.24 175.79 2k5g n ALA 7 N 0.05 2.15 -4.05 5.45 0.00 -1.26 -4.61 120.51 118.24 2k5g n ALA 7 Ca -0.13 -0.10 -0.32 0.00 0.00 0.00 0.00 53.44 52.90 2k5g n ALA 7 Cb 0.62 -1.39 -0.16 0.00 0.00 0.00 0.00 19.45 18.52 2k5g n ALA 7 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2k5g s PHE 8 N -2.81 2.68 0.86 0.00 0.08 -1.26 -5.12 117.98 112.40 2k5g s PHE 8 Ca 0.16 -1.72 -0.13 0.00 0.12 0.00 0.00 56.93 55.37 2k5g s PHE 8 Cb 0.16 -1.78 0.11 0.00 -0.57 0.00 0.00 43.02 40.94 2k5g s PHE 8 CO 0.40 -0.78 1.18 -2.14 -0.10 0.00 0.00 175.22 173.78 2k5g s PRO 9 N 1.31 1.56 0.17 0.24 0.02 -1.26 -4.95 135.00 132.09 2k5g s PRO 9 Ca -0.00 0.10 0.00 0.00 0.02 0.00 0.00 61.00 61.12 2k5g s PRO 9 Cb -0.16 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.46 2k5g s PRO 9 CO -0.09 -1.87 0.00 -3.47 -0.33 0.00 0.00 177.00 171.23 2k5g n ASP 10 N -3.51 0.03 -3.91 2.53 -0.08 -1.26 -4.97 116.55 105.38 2k5g n ASP 10 Ca 0.08 0.29 -0.42 0.00 -1.51 0.00 0.00 54.79 53.23 2k5g n ASP 10 Cb 0.60 0.19 0.00 0.00 2.34 0.00 0.00 41.12 44.26 2k5g n ASP 10 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k5g n GLY 11 N 1.85 4.36 3.04 0.27 0.00 -1.26 -4.83 105.19 108.62 2k5g n GLY 11 Ca 0.00 -1.84 -0.34 0.00 0.00 0.00 0.00 46.02 43.84 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 1.87 3.40 -0.17 1.61 3.76 -1.26 -4.52 115.29 119.98 2k5g s HIS 12 Ca 0.44 -2.93 -0.04 0.00 -0.15 0.00 0.00 55.06 52.38 2k5g s HIS 12 Cb 0.10 -3.06 0.08 0.00 1.11 0.00 0.00 32.58 30.81 2k5g s HIS 12 CO -0.03 -0.78 0.23 0.20 -0.85 0.00 0.00 174.74 173.51 2k5g s GLY 13 N 0.15 -0.04 0.26 -2.22 0.00 -1.26 -5.03 107.32 99.18 2k5g s GLY 13 Ca 0.19 0.48 -0.03 0.00 0.00 0.00 0.00 44.72 45.36 2k5g s GLY 13 CO -0.04 2.07 1.77 0.00 0.00 0.00 0.00 173.10 176.89 2k5g h ALA 14 N 8.31 1.10 -2.14 3.20 0.00 -1.95 -3.40 119.26 124.38 2k5g h ALA 14 Ca -0.16 -0.25 -0.25 0.00 0.00 0.00 0.00 54.91 54.25 2k5g h ALA 14 Cb 1.14 -0.21 -0.32 0.00 0.00 0.00 0.00 17.79 18.40 2k5g h ALA 14 CO 0.23 0.58 -0.57 -0.98 0.00 0.00 0.00 179.25 178.50 2k5g s ARG 15 N -5.06 0.30 -0.49 0.00 3.03 -1.26 -5.03 118.95 110.43 2k5g s ARG 15 Ca -0.10 0.21 0.07 0.00 2.03 0.00 0.00 55.73 57.95 2k5g s ARG 15 Cb 0.15 -0.74 0.25 0.00 -1.03 0.00 0.00 34.95 33.58 2k5g s ARG 15 CO 0.81 -0.79 0.61 1.47 -1.13 0.00 0.00 175.30 176.28 2k5g n LEU 16 N 5.33 1.57 -4.55 -1.89 -0.00 -1.26 -5.07 117.00 111.13 2k5g n LEU 16 Ca -0.03 -4.99 -0.36 0.00 -0.00 0.00 0.00 56.01 50.63 2k5g n LEU 16 Cb 0.49 0.13 -0.04 0.00 -0.00 0.00 0.00 43.42 44.01 2k5g n LEU 16 CO 0.04 2.07 1.43 -0.62 -0.00 0.00 0.00 177.39 180.31 2k5g s ASP 17 N -1.70 5.59 0.04 1.45 2.15 -1.26 -4.92 116.67 118.03 2k5g s ASP 17 Ca 0.37 -0.37 -0.00 0.00 0.43 0.00 0.00 52.55 52.98 2k5g s ASP 17 Cb 0.16 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 40.20 2k5g s ASP 17 CO -0.07 -2.25 -0.04 0.00 -0.17 0.00 0.00 175.17 172.65 2k5g s ALA 18 N 8.09 0.39 -0.24 3.66 0.00 -1.26 -5.04 121.76 127.37 2k5g s ALA 18 Ca 0.58 -0.95 0.14 0.00 0.00 0.00 0.00 51.96 51.73 2k5g s ALA 18 Cb -0.08 0.20 0.77 0.00 0.00 0.00 0.00 23.12 24.01 2k5g s ALA 18 CO 0.09 -0.26 1.71 1.04 0.00 0.00 0.00 175.76 178.34 2k5g n GLN 19 N 0.76 4.50 -3.72 0.00 6.02 -1.26 -4.90 117.38 118.79 2k5g n GLN 19 Ca -0.18 -3.12 -0.10 0.00 -0.01 0.00 0.00 57.00 53.59 2k5g n GLN 19 Cb 0.58 -2.20 -0.05 0.00 1.02 0.00 0.00 30.24 29.59 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 -1.00 -0.14 -0.23 1.08 0.01 -1.26 -2.80 113.70 109.35 2k5g s SER 20 Ca 0.53 -0.45 -0.10 0.00 1.31 0.00 0.00 55.95 57.24 2k5g s SER 20 Cb 0.41 0.45 -0.05 0.00 0.21 0.00 0.00 66.02 67.04 2k5g s SER 20 CO 0.15 -0.85 0.14 -0.63 0.41 0.00 0.00 173.24 172.46 2k5g s ILE 21 N -3.83 5.22 -0.22 1.44 1.01 0.66 -4.92 121.20 120.56 2k5g s ILE 21 Ca 0.05 0.13 -0.03 0.00 0.00 0.00 0.00 60.65 60.80 2k5g s ILE 21 Cb 0.02 -3.43 0.07 0.00 0.01 0.00 0.00 42.46 39.13 2k5g s ILE 21 CO -0.10 0.36 0.06 -0.13 0.00 0.00 0.00 174.94 175.12 2k5g s ARG 22 N 1.02 0.56 -0.05 2.79 0.52 -1.25 -0.10 118.95 122.45 2k5g s ARG 22 Ca 0.07 -0.48 0.01 0.00 -0.52 0.00 0.00 55.73 54.80 2k5g s ARG 22 Cb -0.13 -1.99 0.02 0.00 0.52 0.00 0.00 34.95 33.37 2k5g s ARG 22 CO 0.04 -0.72 -0.05 -0.06 0.02 0.00 0.00 175.30 174.53 2k5g s PHE 23 N 1.87 0.78 0.02 -0.53 0.08 -0.77 -4.99 117.98 114.45 2k5g s PHE 23 Ca 0.02 -0.22 0.08 0.00 0.12 0.00 0.00 56.93 56.92 2k5g s PHE 23 Cb -0.17 -0.69 -0.03 0.00 -0.57 0.00 0.00 43.02 41.56 2k5g s PHE 23 CO -0.13 -0.21 -0.24 -1.83 -0.10 0.00 0.00 175.22 172.72 2k5g s GLU 24 N 0.97 1.97 0.06 0.44 4.04 -1.26 0.13 118.70 125.05 2k5g s GLU 24 Ca -0.10 -1.02 -0.05 0.00 0.04 0.00 0.00 54.97 53.84 2k5g s GLU 24 Cb -0.14 -2.06 -0.02 0.00 0.02 0.00 0.00 34.13 31.93 2k5g s GLU 24 CO -0.00 0.54 0.10 0.50 -1.84 0.00 0.00 175.26 174.55 2k5g s ARG 25 N -1.10 0.71 -0.10 -4.83 3.52 -0.27 -4.97 118.95 111.91 2k5g s ARG 25 Ca 0.12 -1.00 -0.16 0.00 -0.13 0.00 0.00 55.73 54.56 2k5g s ARG 25 Cb -0.10 0.27 -0.05 0.00 -1.56 0.00 0.00 34.95 33.52 2k5g s ARG 25 CO 0.02 -0.19 0.40 -1.17 -0.81 0.00 0.00 175.30 173.55 2k5g s LEU 26 N -2.72 4.32 0.05 -0.88 1.98 -1.26 -1.23 118.68 118.95 2k5g s LEU 26 Ca 0.03 0.76 0.05 0.00 -2.89 0.00 0.00 54.13 52.08 2k5g s LEU 26 Cb 0.05 -2.55 -0.02 0.00 0.66 0.00 0.00 46.19 44.32 2k5g s LEU 26 CO -0.09 0.13 -0.15 -0.76 -1.89 0.00 0.00 176.35 173.59 2k5g s LEU 27 N 0.08 2.21 0.32 -0.68 1.43 0.18 -4.96 118.68 117.25 2k5g s LEU 27 Ca 0.22 -0.52 -0.27 0.00 -1.03 0.00 0.00 54.13 52.53 2k5g s LEU 27 Cb -0.15 -0.61 -0.09 0.00 0.03 0.00 0.00 46.19 45.37 2k5g s LEU 27 CO 0.09 0.01 1.03 -2.16 0.23 0.00 0.00 176.35 175.55 2k5g s PRO 28 N -1.36 4.52 0.00 1.29 0.04 -1.26 -0.26 135.00 137.97 2k5g s PRO 28 Ca 0.01 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.64 2k5g s PRO 28 Cb -0.09 -2.95 0.00 0.00 0.04 0.00 0.00 34.50 31.50 2k5g s PRO 28 CO 0.02 0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.63 2k5g n GLY 29 N 0.89 3.28 0.05 0.56 0.00 -0.85 -4.51 105.19 104.61 2k5g n GLY 29 Ca 0.01 -1.95 -0.12 0.00 0.00 0.00 0.00 46.02 43.96 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 0.04 0.00 1.61 0.13 -1.85 -2.36 132.00 129.58 2k5g h PRO 30 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 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 0.13 0.00 1.51 -0.23 0.00 0.00 178.00 179.41 2k5g n ILE 31 N -5.02 0.00 -0.22 -3.56 3.06 -1.26 -4.43 119.36 107.93 2k5g n ILE 31 Ca -0.07 0.00 -0.09 0.00 -2.50 0.00 0.00 62.75 60.09 2k5g n ILE 31 Cb 0.08 0.00 0.03 0.00 0.54 0.00 0.00 39.64 40.28 2k5g n ILE 31 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 2k5g h GLU 32 N 0.00 1.08 -0.89 9.51 5.08 -1.93 -0.54 114.58 126.89 2k5g h GLU 32 Ca 0.00 -0.33 0.05 0.00 -1.00 0.00 0.00 59.36 58.08 2k5g h GLU 32 Cb 0.00 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.09 2k5g h GLU 32 CO 0.00 1.04 0.58 -0.09 -1.00 0.00 0.00 179.01 179.54 2k5g h ARG 33 N 0.98 1.01 0.03 2.33 2.43 -1.92 0.11 114.38 119.36 2k5g h ARG 33 Ca 0.18 -0.06 -0.22 0.00 -0.81 0.00 0.00 59.98 59.07 2k5g h ARG 33 Cb 0.54 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 2k5g h ARG 33 CO 0.03 0.67 -0.99 0.28 -1.51 0.00 0.00 179.97 178.45 2k5g h VAL 34 N 1.04 1.55 -0.05 0.20 2.07 -1.71 -3.18 116.25 116.17 2k5g h VAL 34 Ca 0.37 -2.93 -0.11 0.00 0.82 0.00 0.00 66.70 64.85 2k5g h VAL 34 Cb 0.13 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 2k5g h VAL 34 CO -0.13 0.85 -0.49 -0.25 0.02 0.00 0.00 177.57 177.57 2k5g h TRP 35 N 0.07 0.15 -0.83 1.57 2.91 -0.19 -3.32 115.95 116.31 2k5g h TRP 35 Ca -0.06 -0.05 0.19 0.00 1.13 0.00 0.00 58.89 60.11 2k5g h TRP 35 Cb 1.68 -0.03 -0.12 0.00 -0.51 0.00 0.00 29.16 30.18 2k5g h TRP 35 CO 0.03 0.59 0.29 0.00 -1.03 0.00 0.00 178.44 178.32 2k5g h ALA 36 N 1.40 1.20 0.00 2.65 0.00 -0.80 0.37 119.26 124.08 2k5g h ALA 36 Ca 0.00 0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2k5g h ALA 36 Cb 0.91 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2k5g h ALA 36 CO 0.07 -0.34 -0.30 0.11 0.00 0.00 0.00 179.25 178.80 2k5g h TRP 37 N 0.34 0.00 -0.05 0.00 5.08 -1.75 0.69 115.95 120.25 2k5g h TRP 37 Ca 0.49 0.00 -0.15 0.00 1.08 0.00 0.00 58.89 60.31 2k5g h TRP 37 Cb 0.89 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.04 2k5g h TRP 37 CO -0.20 0.30 -0.65 -0.07 -1.28 0.00 0.00 178.44 176.54 2k5g h LEU 38 N 0.00 0.24 0.05 0.11 3.38 -0.53 -3.23 115.31 115.33 2k5g h LEU 38 Ca -0.00 -0.15 -0.37 0.00 0.09 0.00 0.00 57.88 57.45 2k5g h LEU 38 Cb 0.96 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 2k5g h LEU 38 CO 0.04 0.82 -2.17 0.00 0.09 0.00 0.00 178.44 177.22 2k5g n ALA 39 N -2.46 1.12 -2.59 1.53 0.00 -0.09 -4.93 120.51 113.09 2k5g n ALA 39 Ca -0.02 -0.83 -0.42 0.00 0.00 0.00 0.00 53.44 52.16 2k5g n ALA 39 Cb 0.65 -0.36 -0.03 0.00 0.00 0.00 0.00 19.45 19.71 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 -6.87 7.28 0.34 0.00 2.15 0.24 -4.60 116.67 115.20 2k5g s ASP 40 Ca -0.30 1.79 0.17 0.00 0.43 0.00 0.00 52.55 54.64 2k5g s ASP 40 Cb 0.08 -2.57 0.57 0.00 -0.30 0.00 0.00 42.92 40.70 2k5g s ASP 40 CO 0.66 -0.32 1.69 0.00 -0.17 0.00 0.00 175.17 177.02 2k5g h ALA 41 N 6.73 0.97 0.01 3.66 0.00 -1.87 -1.37 119.26 127.39 2k5g h ALA 41 Ca -0.41 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.08 2k5g h ALA 41 Cb 1.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2k5g h ALA 41 CO 0.77 0.55 -0.07 0.22 0.00 0.00 0.00 179.25 180.72 2k5g h ASP 42 N 0.00 0.04 -0.18 0.00 1.82 -1.92 -2.30 116.42 113.88 2k5g h ASP 42 Ca -0.00 -0.98 -0.05 0.00 -0.39 0.00 0.00 57.03 55.61 2k5g h ASP 42 Cb 0.97 -0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.95 2k5g h ASP 42 CO 0.06 1.01 -0.04 0.50 -1.61 0.00 0.00 179.24 179.16 2k5g h LYS 43 N -0.92 0.49 -0.36 0.28 3.64 -1.88 -0.78 116.57 117.04 2k5g h LYS 43 Ca -0.01 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 2k5g h LYS 43 Cb 1.03 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 2k5g h LYS 43 CO 0.01 0.55 0.13 -0.09 -2.27 0.00 0.00 179.45 177.78 2k5g h ARG 44 N 0.46 0.50 0.00 1.90 2.43 -1.26 -0.79 114.38 117.62 2k5g h ARG 44 Ca 0.10 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2k5g h ARG 44 Cb 0.37 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 2k5g h ARG 44 CO 0.02 0.43 0.00 0.00 -1.51 0.00 0.00 179.97 178.90 2k5g n ALA 45 N -2.48 2.10 0.22 2.80 0.00 -0.31 -0.33 120.51 122.52 2k5g n ALA 45 Ca 0.02 -0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.46 2k5g n ALA 45 Cb 0.15 -1.33 -0.16 0.00 0.00 0.00 0.00 19.45 18.11 2k5g n ALA 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k5g n ARG 46 N -1.24 0.53 -0.00 0.00 5.12 -0.31 -4.42 116.66 116.33 2k5g n ARG 46 Ca 0.11 -0.15 0.00 0.00 -1.93 0.00 0.00 57.85 55.88 2k5g n ARG 46 Cb 0.15 -1.50 -0.00 0.00 -1.16 0.00 0.00 32.46 29.95 2k5g n ARG 46 CO 0.00 0.00 0.00 -2.67 -1.93 0.00 0.00 177.63 173.03 2k5g n TRP 47 N -2.07 0.00 0.00 -1.55 4.27 -0.99 -4.96 117.44 112.15 2k5g n TRP 47 Ca -0.02 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.59 2k5g n TRP 47 Cb 0.50 -0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.45 2k5g n TRP 47 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 2k5g n LEU 48 N -1.08 0.00 -3.56 5.67 -0.00 0.56 -4.79 117.00 113.80 2k5g n LEU 48 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.94 2k5g n LEU 48 Cb 0.00 0.14 -0.03 0.00 -0.00 0.00 0.00 43.42 43.53 2k5g n LEU 48 CO 0.00 -0.23 0.84 0.00 -0.00 0.00 0.00 177.39 178.00 2k5g s ALA 49 N -1.39 -1.95 -0.69 1.96 0.00 -0.15 -4.09 121.76 115.45 2k5g s ALA 49 Ca 0.00 1.41 -0.27 0.00 0.00 0.00 0.00 51.96 53.10 2k5g s ALA 49 Cb 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 23.12 22.94 2k5g s ALA 49 CO 0.00 -0.52 1.25 0.20 0.00 0.00 0.00 175.76 176.69 2k5g s GLY 50 N -1.88 0.97 -0.18 0.00 0.00 -1.18 -2.69 107.32 102.36 2k5g s GLY 50 Ca 0.04 -1.21 -0.07 0.00 0.00 0.00 0.00 44.72 43.49 2k5g s GLY 50 CO -0.05 2.59 0.39 -0.32 0.00 0.00 0.00 173.10 175.72 2k5g s GLY 51 N 3.49 -0.32 0.25 0.20 0.00 -1.25 -0.47 107.32 109.23 2k5g s GLY 51 Ca 0.37 1.41 -0.04 0.00 0.00 0.00 0.00 44.72 46.46 2k5g s GLY 51 CO 0.18 2.30 0.34 -1.84 0.00 0.00 0.00 173.10 174.08 2k5g n GLU 52 N 5.33 -0.19 -4.10 2.90 0.28 -1.26 -4.41 120.64 119.19 2k5g n GLU 52 Ca -0.09 -0.60 -0.34 0.00 -0.16 0.00 0.00 57.16 55.97 2k5g n GLU 52 Cb 0.50 -0.33 -0.07 0.00 1.43 0.00 0.00 31.44 32.97 2k5g n GLU 52 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2k5g s LEU 53 N 0.00 3.98 0.00 -1.84 1.43 -1.26 -4.90 118.68 116.09 2k5g s LEU 53 Ca 0.20 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 2k5g s LEU 53 Cb -0.01 -2.16 0.00 0.00 0.03 0.00 0.00 46.19 44.06 2k5g s LEU 53 CO 0.14 0.33 0.00 -0.81 0.23 0.00 0.00 176.35 176.23 2k5g n PRO 54 N 1.55 0.96 0.09 1.29 -0.04 -1.26 -5.05 135.00 132.54 2k5g n PRO 54 Ca -0.16 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.26 2k5g n PRO 54 Cb 0.53 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.97 2k5g n PRO 54 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k5g h ARG 55 N 0.00 -0.26 -6.47 0.54 2.47 -2.00 -3.47 114.38 105.19 2k5g h ARG 55 Ca 0.00 0.02 -0.65 0.00 -1.26 0.00 0.00 59.98 58.08 2k5g h ARG 55 Cb 0.00 0.06 -0.14 0.00 -1.65 0.00 0.00 29.97 28.24 2k5g h ARG 55 CO 0.00 -0.17 -0.71 -0.65 0.56 0.00 0.00 179.97 179.00 2k5g s GLN 56 N -2.50 2.26 0.38 0.04 -0.21 -1.26 -5.11 119.66 113.26 2k5g s GLN 56 Ca -0.04 -0.99 -0.26 0.00 0.02 0.00 0.00 55.36 54.09 2k5g s GLN 56 Cb 0.00 -2.37 -0.09 0.00 1.00 0.00 0.00 33.01 31.56 2k5g s GLN 56 CO 0.12 0.51 1.11 -2.14 -2.12 0.00 0.00 175.29 172.77 2k5g s PRO 57 N -2.35 4.21 0.00 2.91 0.02 -1.26 -3.14 135.00 135.39 2k5g s PRO 57 Ca 0.23 1.72 0.00 0.00 0.02 0.00 0.00 61.00 62.97 2k5g s PRO 57 Cb -0.11 -2.73 0.00 0.00 0.02 0.00 0.00 34.50 31.68 2k5g s PRO 57 CO 0.16 -0.15 0.00 0.41 -0.33 0.00 0.00 177.00 177.08 2k5g n GLY 58 N 0.64 2.42 3.95 0.52 0.00 0.10 -5.01 105.19 107.82 2k5g n GLY 58 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.70 1.13 -0.10 1.61 -0.21 -1.19 -4.84 119.66 115.36 2k5g s GLN 59 Ca 0.00 -0.65 -0.01 0.00 0.02 0.00 0.00 55.36 54.73 2k5g s GLN 59 Cb 0.00 -2.04 -0.03 0.00 1.00 0.00 0.00 33.01 31.94 2k5g s GLN 59 CO 0.00 -1.98 -0.06 0.95 -2.12 0.00 0.00 175.29 172.08 2k5g s THR 60 N -3.58 3.74 0.15 -0.19 -4.23 -1.26 -2.95 115.64 107.33 2k5g s THR 60 Ca 0.70 -0.44 0.08 0.00 -1.18 0.00 0.00 61.69 60.85 2k5g s THR 60 Cb -0.05 -2.57 -0.04 0.00 1.34 0.00 0.00 72.50 71.18 2k5g s THR 60 CO 0.49 0.56 -0.06 0.72 -0.54 0.00 0.00 174.62 175.79 2k5g s PHE 61 N -0.34 2.75 -0.24 3.99 -0.12 -0.09 -4.90 117.98 119.03 2k5g s PHE 61 Ca 0.05 -0.16 -0.07 0.00 -0.05 0.00 0.00 56.93 56.70 2k5g s PHE 61 Cb -0.12 -1.37 -0.03 0.00 -0.63 0.00 0.00 43.02 40.87 2k5g s PHE 61 CO 0.02 0.49 0.05 -1.21 -0.05 0.00 0.00 175.22 174.53 2k5g s GLU 62 N -2.67 3.65 -0.04 1.99 2.02 -1.26 0.10 118.70 122.48 2k5g s GLU 62 Ca 0.25 -0.49 -0.09 0.00 0.02 0.00 0.00 54.97 54.66 2k5g s GLU 62 Cb -0.10 -3.27 -0.05 0.00 0.10 0.00 0.00 34.13 30.81 2k5g s GLU 62 CO 0.16 -0.15 0.27 -0.51 0.02 0.00 0.00 175.26 175.05 2k5g s LEU 63 N 1.48 4.41 -0.54 1.80 2.01 0.87 -4.68 118.68 124.03 2k5g s LEU 63 Ca 0.06 0.66 -0.28 0.00 0.01 0.00 0.00 54.13 54.58 2k5g s LEU 63 Cb -0.15 -2.43 0.02 0.00 0.01 0.00 0.00 46.19 43.64 2k5g s LEU 63 CO 0.03 0.33 1.28 -1.00 1.01 0.00 0.00 176.35 178.00 2k5g s HIS 64 N -1.13 2.52 0.01 0.29 3.76 0.38 -0.15 115.29 120.97 2k5g s HIS 64 Ca 0.22 0.51 0.00 0.00 -0.15 0.00 0.00 55.06 55.64 2k5g s HIS 64 Cb -0.14 -4.45 0.00 0.00 1.11 0.00 0.00 32.58 29.10 2k5g s HIS 64 CO 0.11 -1.70 0.00 1.19 -0.85 0.00 0.00 174.74 173.49 2k5g n PHE 65 N 8.72 -1.35 -3.97 1.40 3.01 0.11 -3.07 117.46 122.31 2k5g n PHE 65 Ca 0.11 0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.61 2k5g n PHE 65 Cb 0.49 0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 2k5g n PHE 65 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 2k5g n ASN 66 N -0.19 0.22 0.17 4.37 2.04 -1.26 -4.54 115.26 116.06 2k5g n ASN 66 Ca 0.00 -0.97 0.07 0.00 -0.44 0.00 0.00 54.58 53.24 2k5g n ASN 66 Cb 0.01 0.00 0.56 0.00 -2.53 0.00 0.00 39.78 37.83 2k5g n ASN 66 CO 0.00 0.00 0.00 1.12 -0.44 0.00 0.00 177.26 177.94 2k5g h HIS 67 N 0.97 0.18 -0.87 -2.53 2.07 -1.88 -0.92 115.15 112.17 2k5g h HIS 67 Ca 0.00 0.00 -0.49 0.00 -2.85 0.00 0.00 60.37 57.04 2k5g h HIS 67 Cb 0.00 -0.06 -0.27 0.00 2.57 0.00 0.00 27.41 29.65 2k5g h HIS 67 CO 0.00 0.12 0.51 0.00 -3.07 0.00 0.00 177.93 175.49 2k5g n ALA 68 N -2.52 5.49 -1.94 6.11 0.00 -1.25 -4.35 120.51 122.05 2k5g n ALA 68 Ca -0.01 -3.09 0.01 0.00 0.00 0.00 0.00 53.44 50.36 2k5g n ALA 68 Cb 0.08 -1.34 0.02 0.00 0.00 0.00 0.00 19.45 18.21 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 -1.09 2.06 0.21 0.00 0.00 -0.35 -4.83 120.51 116.51 2k5g n ALA 69 Ca 0.55 -1.26 -0.08 0.00 0.00 0.00 0.00 53.44 52.65 2k5g n ALA 69 Cb 1.35 -0.50 -0.04 0.00 0.00 0.00 0.00 19.45 20.25 2k5g n ALA 69 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2k5g h LEU 70 N 0.07 -0.46 -8.92 0.00 6.46 -1.71 -3.44 115.31 107.31 2k5g h LEU 70 Ca -0.01 0.02 -0.61 0.00 -0.12 0.00 0.00 57.88 57.15 2k5g h LEU 70 Cb 1.39 0.12 -0.19 0.00 -0.73 0.00 0.00 40.66 41.25 2k5g h LEU 70 CO 0.01 -0.25 -0.82 0.42 -0.62 0.00 0.00 178.44 177.18 2k5g s THR 71 N -3.69 2.11 0.00 1.05 -4.23 -1.26 -5.03 115.64 104.60 2k5g s THR 71 Ca -0.08 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.53 2k5g s THR 71 Cb 0.01 -1.96 0.00 0.00 1.34 0.00 0.00 72.50 71.89 2k5g s THR 71 CO 0.24 -0.13 0.00 0.00 -0.54 0.00 0.00 174.62 174.19 2k5g n ALA 72 N 0.47 0.00 -0.79 3.99 0.00 -1.26 -4.65 120.51 118.27 2k5g n ALA 72 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2k5g n ALA 72 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 2k5g n ALA 72 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k5g n GLU 73 N -1.63 0.00 -3.62 0.00 4.71 -1.26 -4.35 120.64 114.49 2k5g n GLU 73 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.16 56.77 2k5g n GLU 73 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 31.44 30.32 2k5g n GLU 73 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 2k5g s THR 74 N 0.00 5.09 -0.03 2.62 2.01 -1.26 -5.06 115.64 119.01 2k5g s THR 74 Ca 0.00 0.06 -0.14 0.00 0.31 0.00 0.00 61.69 61.91 2k5g s THR 74 Cb 0.00 -3.44 0.02 0.00 0.01 0.00 0.00 72.50 69.10 2k5g s THR 74 CO 0.00 0.24 0.31 0.00 -0.69 0.00 0.00 174.62 174.48 2k5g s ALA 75 N 1.72 -0.78 1.17 7.40 0.00 -1.26 -5.07 121.76 124.94 2k5g s ALA 75 Ca 0.07 0.40 -0.13 0.00 0.00 0.00 0.00 51.96 52.30 2k5g s ALA 75 Cb -0.16 -0.00 0.29 0.00 0.00 0.00 0.00 23.12 23.25 2k5g s ALA 75 CO 0.09 -0.25 1.03 -2.14 0.00 0.00 0.00 175.76 174.49 2k5g s PRO 76 N -1.14 -1.00 0.29 0.00 0.02 -1.26 -4.39 135.00 127.51 2k5g s PRO 76 Ca -0.12 0.89 0.03 0.00 0.02 0.00 0.00 61.00 61.81 2k5g s PRO 76 Cb -0.05 -1.54 0.61 0.00 0.02 0.00 0.00 34.50 33.54 2k5g s PRO 76 CO 0.04 -3.79 1.81 0.00 -0.33 0.00 0.00 177.00 174.72 2k5g h ALA 77 N -2.68 1.55 -0.15 -1.55 0.00 -2.02 0.19 119.26 114.61 2k5g h ALA 77 Ca -0.62 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2k5g h ALA 77 Cb 1.33 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2k5g h ALA 77 CO 0.49 0.12 0.00 -2.13 0.00 0.00 0.00 179.25 177.74 2k5g n ARG 78 N -4.68 1.58 -0.00 0.00 0.63 -1.26 -3.64 116.66 109.29 2k5g n ARG 78 Ca 0.20 -0.88 -0.00 0.00 -0.92 0.00 0.00 57.85 56.26 2k5g n ARG 78 Cb 0.43 -1.35 -0.00 0.00 0.45 0.00 0.00 32.46 31.98 2k5g n ARG 78 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2k5g n TYR 79 N 0.11 0.00 0.32 -0.14 4.02 0.14 -4.67 117.16 116.95 2k5g n TYR 79 Ca 0.15 0.00 0.21 0.00 -0.01 0.00 0.00 57.90 58.25 2k5g n TYR 79 Cb 0.27 -0.02 1.10 0.00 -0.02 0.00 0.00 39.34 40.67 2k5g n TYR 79 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2k5g h ALA 80 N 0.03 1.05 -0.02 -0.72 0.00 -0.82 -0.95 119.26 117.84 2k5g h ALA 80 Ca -0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2k5g h ALA 80 Cb 0.60 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2k5g h ALA 80 CO 0.00 0.01 -0.14 0.37 0.00 0.00 0.00 179.25 179.48 2k5g h GLN 81 N 0.00 0.03 -0.01 0.00 5.75 -1.83 -2.17 115.11 116.88 2k5g h GLN 81 Ca -0.00 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 2k5g h GLN 81 Cb 0.10 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.64 2k5g h GLN 81 CO 0.00 0.18 -0.06 0.66 -2.65 0.00 0.00 178.83 176.96 2k5g n TYR 82 N -4.35 0.00 1.10 3.99 4.01 -0.36 -3.10 117.16 118.44 2k5g n TYR 82 Ca -0.02 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.84 2k5g n TYR 82 Cb 0.22 -0.06 0.31 0.00 -0.31 0.00 0.00 39.34 39.50 2k5g n TYR 82 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2k5g n ASP 83 N -0.42 2.33 -4.78 7.72 2.03 -0.82 -4.64 116.55 117.98 2k5g n ASP 83 Ca 0.18 -1.78 -0.33 0.00 0.52 0.00 0.00 54.79 53.38 2k5g n ASP 83 Cb 0.29 -0.06 -0.07 0.00 -0.72 0.00 0.00 41.12 40.56 2k5g n ASP 83 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2k5g s ARG 84 N -1.88 3.07 -0.23 -0.67 0.52 -1.18 -4.96 118.95 113.61 2k5g s ARG 84 Ca 0.34 -0.47 -0.36 0.00 -0.52 0.00 0.00 55.73 54.71 2k5g s ARG 84 Cb 0.20 -2.86 -0.13 0.00 0.52 0.00 0.00 34.95 32.68 2k5g s ARG 84 CO 0.31 0.65 1.95 -2.30 0.02 0.00 0.00 175.30 175.93 2k5g n PRO 85 N 1.25 1.52 -4.40 3.54 -0.02 -1.26 -4.96 135.00 130.66 2k5g n PRO 85 Ca -0.13 0.52 -0.23 0.00 -2.02 0.00 0.00 63.50 61.64 2k5g n PRO 85 Cb 0.53 -2.44 -0.16 0.00 -0.02 0.00 0.00 33.50 31.40 2k5g n PRO 85 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2k5g s ILE 86 N 5.07 0.89 -0.42 4.25 1.01 -1.26 -5.04 121.20 125.70 2k5g s ILE 86 Ca 1.00 -0.33 -0.11 0.00 0.00 0.00 0.00 60.65 61.21 2k5g s ILE 86 Cb -0.85 -0.85 0.06 0.00 0.01 0.00 0.00 42.46 40.83 2k5g s ILE 86 CO 0.55 0.30 0.27 -0.69 0.00 0.00 0.00 174.94 175.37 2k5g s VAL 87 N 0.79 4.57 -0.25 2.92 1.01 -1.26 0.08 120.40 128.26 2k5g s VAL 87 Ca -0.13 -1.14 -0.00 0.00 0.00 0.00 0.00 61.98 60.71 2k5g s VAL 87 Cb -0.15 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.56 2k5g s VAL 87 CO 0.02 -0.43 -0.08 0.00 0.00 0.00 0.00 175.10 174.61 2k5g s ALA 88 N 1.52 2.65 0.44 5.51 0.00 0.79 -4.89 121.76 127.78 2k5g s ALA 88 Ca 0.03 -1.56 -0.14 0.00 0.00 0.00 0.00 51.96 50.28 2k5g s ALA 88 Cb -0.22 -1.65 -0.08 0.00 0.00 0.00 0.00 23.12 21.17 2k5g s ALA 88 CO 0.05 -0.93 0.87 -0.98 0.00 0.00 0.00 175.76 174.77 2k5g s ARG 89 N 1.25 3.92 0.03 0.00 1.70 -1.26 -0.09 118.95 124.50 2k5g s ARG 89 Ca -0.02 0.75 -0.13 0.00 -0.47 0.00 0.00 55.73 55.86 2k5g s ARG 89 Cb -0.18 -2.27 0.02 0.00 -0.57 0.00 0.00 34.95 31.95 2k5g s ARG 89 CO -0.05 -0.11 0.28 -1.01 -1.08 0.00 0.00 175.30 173.33 2k5g s HIS 90 N -2.41 -0.09 -0.05 5.89 3.76 0.11 -4.89 115.29 117.62 2k5g s HIS 90 Ca 0.56 -0.01 -0.13 0.00 -0.15 0.00 0.00 55.06 55.33 2k5g s HIS 90 Cb -0.10 0.07 -0.05 0.00 1.11 0.00 0.00 32.58 33.61 2k5g s HIS 90 CO 0.28 -0.46 0.33 0.99 -0.85 0.00 0.00 174.74 175.03 2k5g s THR 91 N -2.24 5.18 -0.01 1.30 2.01 -1.26 -0.91 115.64 119.71 2k5g s THR 91 Ca -0.07 0.65 -0.01 0.00 0.31 0.00 0.00 61.69 62.57 2k5g s THR 91 Cb -0.02 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 2k5g s THR 91 CO -0.02 0.57 0.11 -1.48 -0.69 0.00 0.00 174.62 173.11 2k5g s LEU 92 N -0.90 4.03 0.00 4.42 2.34 -1.15 -0.58 118.68 126.83 2k5g s LEU 92 Ca 0.21 0.20 0.00 0.00 0.06 0.00 0.00 54.13 54.60 2k5g s LEU 92 Cb -0.15 -2.36 0.00 0.00 -0.56 0.00 0.00 46.19 43.12 2k5g s LEU 92 CO 0.10 0.27 0.00 -0.11 -1.06 0.00 0.00 176.35 175.55 2k5g n LEU 93 N 1.13 0.00 -4.45 1.48 7.94 0.95 -0.72 117.00 123.33 2k5g n LEU 93 Ca -0.13 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.49 2k5g n LEU 93 Cb 0.53 -0.34 -0.12 0.00 0.53 0.00 0.00 43.42 44.02 2k5g n LEU 93 CO 0.40 -0.42 -0.51 -0.60 -1.11 0.00 0.00 177.39 175.14 2k5g s ARG 94 N -0.84 1.63 -0.30 1.96 3.52 -1.01 -4.42 118.95 119.50 2k5g s ARG 94 Ca 0.00 -1.35 0.01 0.00 -0.13 0.00 0.00 55.73 54.26 2k5g s ARG 94 Cb 0.00 -1.98 0.19 0.00 -1.56 0.00 0.00 34.95 31.61 2k5g s ARG 94 CO 0.00 0.44 0.61 0.00 -0.81 0.00 0.00 175.30 175.54 2k5g s GLU 96 N 2.85 1.89 0.19 0.00 2.02 0.23 -4.99 118.70 120.89 2k5g s GLU 96 Ca 0.17 -2.66 -0.30 0.00 0.02 0.00 0.00 54.97 52.20 2k5g s GLU 96 Cb -0.13 -3.00 -0.08 0.00 0.10 0.00 0.00 34.13 31.03 2k5g s GLU 96 CO -0.23 -1.19 1.01 -2.14 0.02 0.00 0.00 175.26 172.74 2k5g s PRO 97 N -0.46 4.71 -0.42 0.39 0.02 -1.26 -1.19 135.00 136.79 2k5g s PRO 97 Ca 0.20 1.58 -0.12 0.00 0.02 0.00 0.00 61.00 62.69 2k5g s PRO 97 Cb -0.18 -3.30 0.06 0.00 0.02 0.00 0.00 34.50 31.11 2k5g s PRO 97 CO -0.06 0.26 0.29 -1.25 -0.33 0.00 0.00 177.00 175.91 2k5g s PRO 98 N -0.61 2.79 0.21 5.54 0.04 -1.26 -5.01 135.00 136.69 2k5g s PRO 98 Ca 0.46 -1.31 0.00 0.00 0.04 0.00 0.00 61.00 60.19 2k5g s PRO 98 Cb -0.27 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.39 2k5g s PRO 98 CO 0.33 -0.90 0.00 -2.13 0.04 0.00 0.00 177.00 174.34 2k5g n ARG 99 N 5.04 0.00 -4.22 4.56 3.00 -0.33 -4.97 116.66 119.75 2k5g n ARG 99 Ca -0.11 0.00 -0.19 0.00 -0.00 0.00 0.00 57.85 57.55 2k5g n ARG 99 Cb 0.44 0.00 -0.16 0.00 0.00 0.00 0.00 32.46 32.75 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 -1.61 0.55 -0.00 5.15 1.01 -0.85 -0.18 120.40 124.47 2k5g s VAL 100 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 2k5g s VAL 100 Cb 0.00 -0.53 -0.00 0.00 0.00 0.00 0.00 36.38 35.85 2k5g s VAL 100 CO 0.00 0.20 0.02 -1.48 0.00 0.00 0.00 175.10 173.83 2k5g s LEU 101 N 0.44 1.97 -0.00 3.92 0.05 -0.10 0.77 118.68 125.73 2k5g s LEU 101 Ca -0.06 -0.09 0.00 0.00 0.05 0.00 0.00 54.13 54.04 2k5g s LEU 101 Cb -0.10 0.11 0.00 0.00 -2.05 0.00 0.00 46.19 44.16 2k5g s LEU 101 CO 0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 176.35 175.71 2k5g s ALA 102 N -0.38 0.01 0.33 1.48 0.00 0.25 0.01 121.76 123.46 2k5g s ALA 102 Ca -0.04 0.02 0.05 0.00 0.00 0.00 0.00 51.96 51.99 2k5g s ALA 102 Cb -0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 2k5g s ALA 102 CO -0.00 -0.01 0.22 -0.48 0.00 0.00 0.00 175.76 175.49 2k5g s LEU 103 N 0.09 1.74 0.16 0.00 2.34 -0.19 -0.03 118.68 122.79 2k5g s LEU 103 Ca -0.01 -1.69 0.10 0.00 0.06 0.00 0.00 54.13 52.59 2k5g s LEU 103 Cb -0.01 0.37 -0.04 0.00 -0.56 0.00 0.00 46.19 45.94 2k5g s LEU 103 CO -0.00 -1.00 -0.18 0.28 -1.06 0.00 0.00 176.35 174.38 2k5g s THR 104 N -3.48 2.72 -0.77 5.48 -1.32 0.26 0.68 115.64 119.21 2k5g s THR 104 Ca 0.36 -1.76 0.09 0.00 -1.21 0.00 0.00 61.69 59.17 2k5g s THR 104 Cb 0.03 -2.30 0.47 0.00 -1.51 0.00 0.00 72.50 69.20 2k5g s THR 104 CO 0.23 -0.04 1.25 1.87 -2.21 0.00 0.00 174.62 175.72 2k5g n TRP 105 N 0.39 1.14 0.00 9.09 -0.00 0.16 -4.17 117.44 124.05 2k5g n TRP 105 Ca -0.13 -0.41 0.00 0.00 -0.00 0.00 0.00 57.50 56.96 2k5g n TRP 105 Cb 0.55 -0.29 0.00 0.00 -0.00 0.00 0.00 31.31 31.56 2k5g n TRP 105 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2k5g n GLY 106 N 0.50 1.34 0.00 5.87 0.00 -1.26 -4.87 105.19 106.77 2k5g n GLY 106 Ca 0.16 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 0.53 3.60 -0.02 0.00 -1.26 -4.81 105.19 103.23 2k5g n GLY 107 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2k5g n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5g n GLY 108 N 0.00 -1.82 0.13 -0.02 0.00 -1.26 -3.75 105.19 98.48 2k5g n GLY 108 Ca 0.00 -1.70 -0.21 0.00 0.00 0.00 0.00 46.02 44.11 2k5g n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5g n ALA 109 N 0.42 1.32 -2.25 4.61 0.00 -1.26 -4.74 120.51 118.61 2k5g n ALA 109 Ca 0.00 -1.04 -0.00 0.00 0.00 0.00 0.00 53.44 52.40 2k5g n ALA 109 Cb 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 19.45 19.31 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 2.03 0.79 0.00 0.00 0.00 -1.26 -5.11 105.19 101.63 2k5g n GLY 110 Ca -0.46 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2k5g n GLY 110 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k5g n GLU 111 N 0.25 2.39 -4.23 1.61 4.71 -1.26 -5.13 120.64 118.99 2k5g n GLU 111 Ca -0.06 0.00 -0.33 0.00 -0.01 0.00 0.00 57.16 56.76 2k5g n GLU 111 Cb 0.91 0.00 -0.08 0.00 -1.01 0.00 0.00 31.44 31.26 2k5g n GLU 111 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2k5g s ALA 112 N -2.00 3.40 -0.24 0.62 0.00 -1.25 -4.83 121.76 117.45 2k5g s ALA 112 Ca 0.00 -0.89 -0.29 0.00 0.00 0.00 0.00 51.96 50.78 2k5g s ALA 112 Cb 0.00 -1.47 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 2k5g s ALA 112 CO 0.00 0.65 1.60 -2.14 0.00 0.00 0.00 175.76 175.87 2k5g s PRO 113 N -1.47 3.75 0.23 0.00 0.02 -1.25 -4.77 135.00 131.52 2k5g s PRO 113 Ca 0.19 1.58 -0.30 0.00 0.02 0.00 0.00 61.00 62.50 2k5g s PRO 113 Cb -0.12 -4.04 -0.09 0.00 0.02 0.00 0.00 34.50 30.28 2k5g s PRO 113 CO 0.10 -1.34 1.14 -1.12 -0.33 0.00 0.00 177.00 175.45 2k5g s SER 114 N 4.28 7.18 0.30 2.53 0.01 -1.26 -4.88 113.70 121.86 2k5g s SER 114 Ca 0.71 2.25 0.08 0.00 1.31 0.00 0.00 55.95 60.29 2k5g s SER 114 Cb -0.24 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.34 2k5g s SER 114 CO 0.29 -0.26 0.16 -1.83 0.41 0.00 0.00 173.24 172.02 2k5g s GLU 115 N -0.84 2.60 -0.10 12.44 -1.05 -0.16 0.39 118.70 131.96 2k5g s GLU 115 Ca 0.48 -1.32 -0.01 0.00 -0.15 0.00 0.00 54.97 53.98 2k5g s GLU 115 Cb -0.32 -2.36 0.03 0.00 -0.44 0.00 0.00 34.13 31.04 2k5g s GLU 115 CO 0.39 0.24 -0.05 0.08 0.95 0.00 0.00 175.26 176.87 2k5g s VAL 116 N -2.29 0.84 -0.22 1.83 1.01 0.21 0.03 120.40 121.82 2k5g s VAL 116 Ca 0.36 -0.18 -0.07 0.00 0.00 0.00 0.00 61.98 62.08 2k5g s VAL 116 Cb -0.06 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 2k5g s VAL 116 CO 0.24 0.33 0.06 -0.22 0.00 0.00 0.00 175.10 175.51 2k5g s LEU 117 N 1.78 3.58 -0.24 3.92 1.98 0.23 -1.03 118.68 128.91 2k5g s LEU 117 Ca 0.05 -0.09 -0.06 0.00 -2.89 0.00 0.00 54.13 51.14 2k5g s LEU 117 Cb -0.13 -1.94 -0.02 0.00 0.66 0.00 0.00 46.19 44.77 2k5g s LEU 117 CO -0.07 0.05 0.03 -0.36 -1.89 0.00 0.00 176.35 174.11 2k5g s PHE 118 N 1.09 3.04 -0.20 5.38 0.08 0.10 -0.75 117.98 126.72 2k5g s PHE 118 Ca 0.04 -0.65 0.01 0.00 0.12 0.00 0.00 56.93 56.45 2k5g s PHE 118 Cb -0.14 -2.19 0.04 0.00 -0.57 0.00 0.00 43.02 40.16 2k5g s PHE 118 CO 0.03 -0.44 -0.10 -1.21 -0.10 0.00 0.00 175.22 173.40 2k5g s GLU 119 N 1.56 1.98 -0.19 0.44 2.02 -0.99 -0.92 118.70 122.59 2k5g s GLU 119 Ca 0.06 -0.85 -0.07 0.00 0.02 0.00 0.00 54.97 54.13 2k5g s GLU 119 Cb -0.15 -2.42 -0.04 0.00 0.10 0.00 0.00 34.13 31.63 2k5g s GLU 119 CO 0.01 -0.44 0.05 -0.51 0.02 0.00 0.00 175.26 174.39 2k5g s LEU 120 N 1.40 3.72 0.07 1.80 1.43 0.75 -1.27 118.68 126.58 2k5g s LEU 120 Ca -0.02 0.03 0.09 0.00 -1.03 0.00 0.00 54.13 53.20 2k5g s LEU 120 Cb -0.16 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 2k5g s LEU 120 CO -0.08 0.15 -0.24 -0.44 0.23 0.00 0.00 176.35 175.97 2k5g s SER 121 N 0.50 3.42 -0.16 2.29 0.01 -0.04 -4.69 113.70 115.03 2k5g s SER 121 Ca 0.02 -0.58 -0.06 0.00 1.31 0.00 0.00 55.95 56.65 2k5g s SER 121 Cb -0.13 -0.38 -0.04 0.00 0.21 0.00 0.00 66.02 65.69 2k5g s SER 121 CO 0.01 0.23 0.04 -1.83 0.41 0.00 0.00 173.24 172.11 2k5g s GLU 122 N -1.54 3.71 -0.43 12.44 -1.05 -1.26 -0.86 118.70 129.71 2k5g s GLU 122 Ca 0.13 -0.37 0.08 0.00 -0.15 0.00 0.00 54.97 54.67 2k5g s GLU 122 Cb -0.10 -3.09 0.27 0.00 -0.44 0.00 0.00 34.13 30.78 2k5g s GLU 122 CO 0.04 0.39 0.61 0.00 0.95 0.00 0.00 175.26 177.25 2k5g n ALA 123 N 3.16 2.66 -3.04 -0.84 0.00 0.16 -4.96 120.51 117.65 2k5g n ALA 123 Ca -0.17 -3.64 -0.09 0.00 0.00 0.00 0.00 53.44 49.53 2k5g n ALA 123 Cb 0.53 -0.84 0.01 0.00 0.00 0.00 0.00 19.45 19.14 2k5g n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5g n GLY 124 N 1.03 -1.16 2.71 0.00 0.00 -1.26 -2.61 105.19 103.90 2k5g n GLY 124 Ca 0.23 0.94 -0.08 0.00 0.00 0.00 0.00 46.02 47.12 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 -0.95 -1.51 -4.35 1.61 1.02 -1.26 -4.96 120.64 110.23 2k5g n GLU 125 Ca 0.03 0.74 -0.22 0.00 -0.02 0.00 0.00 57.16 57.69 2k5g n GLU 125 Cb 0.51 -5.02 -0.11 0.00 -0.02 0.00 0.00 31.44 26.80 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 -2.51 1.33 -0.06 3.49 -0.21 -0.89 -2.00 119.66 118.82 2k5g s GLN 126 Ca 0.00 -1.47 -0.00 0.00 0.02 0.00 0.00 55.36 53.91 2k5g s GLN 126 Cb 0.00 -1.38 0.03 0.00 1.00 0.00 0.00 33.01 32.65 2k5g s GLN 126 CO 0.00 0.28 -0.02 0.08 -2.12 0.00 0.00 175.29 173.51 2k5g s VAL 127 N -2.17 0.42 -0.32 1.09 1.01 0.64 0.39 120.40 121.46 2k5g s VAL 127 Ca 0.18 0.02 -0.15 0.00 0.00 0.00 0.00 61.98 62.03 2k5g s VAL 127 Cb -0.05 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 2k5g s VAL 127 CO 0.08 0.23 0.35 -0.13 0.00 0.00 0.00 175.10 175.63 2k5g s ARG 128 N 1.42 3.69 -0.20 2.72 0.52 -0.04 0.50 118.95 127.56 2k5g s ARG 128 Ca -0.03 -0.31 -0.09 0.00 -0.52 0.00 0.00 55.73 54.78 2k5g s ARG 128 Cb -0.13 -3.76 -0.05 0.00 0.52 0.00 0.00 34.95 31.53 2k5g s ARG 128 CO -0.03 -0.45 0.11 -1.17 0.02 0.00 0.00 175.30 173.79 2k5g s LEU 129 N 2.01 4.03 -0.26 2.53 2.96 -0.36 -0.86 118.68 128.72 2k5g s LEU 129 Ca 0.12 0.14 -0.02 0.00 -0.22 0.00 0.00 54.13 54.15 2k5g s LEU 129 Cb -0.16 -2.04 0.03 0.00 0.50 0.00 0.00 46.19 44.52 2k5g s LEU 129 CO 0.11 0.15 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.56 2k5g s VAL 130 N 0.55 2.91 -0.45 1.68 1.01 -0.40 -1.11 120.40 124.59 2k5g s VAL 130 Ca 0.06 -1.11 -0.22 0.00 0.00 0.00 0.00 61.98 60.71 2k5g s VAL 130 Cb -0.12 -2.53 0.03 0.00 0.00 0.00 0.00 36.38 33.76 2k5g s VAL 130 CO 0.00 0.12 0.73 -0.22 0.00 0.00 0.00 175.10 175.73 2k5g s LEU 131 N 1.31 4.38 -0.31 3.92 0.20 0.12 -2.35 118.68 125.95 2k5g s LEU 131 Ca -0.01 -0.25 -0.02 0.00 0.69 0.00 0.00 54.13 54.53 2k5g s LEU 131 Cb -0.17 -2.84 0.05 0.00 -0.43 0.00 0.00 46.19 42.80 2k5g s LEU 131 CO -0.03 -0.87 0.02 -0.89 -0.29 0.00 0.00 176.35 174.28 2k5g s THR 132 N 3.10 3.08 -0.41 3.68 2.01 0.07 -1.85 115.64 125.32 2k5g s THR 132 Ca 0.26 -1.41 -0.14 0.00 0.31 0.00 0.00 61.69 60.72 2k5g s THR 132 Cb -0.13 -2.79 0.03 0.00 0.01 0.00 0.00 72.50 69.61 2k5g s THR 132 CO 0.21 -0.15 0.29 -2.28 -0.69 0.00 0.00 174.62 171.99 2k5g s HIS 133 N 1.26 3.24 0.21 4.92 2.46 0.85 0.78 115.29 129.01 2k5g s HIS 133 Ca -0.04 -0.69 0.05 0.00 0.47 0.00 0.00 55.06 54.85 2k5g s HIS 133 Cb -0.20 -2.60 -0.03 0.00 -0.13 0.00 0.00 32.58 29.62 2k5g s HIS 133 CO -0.01 -0.62 0.26 0.99 -2.47 0.00 0.00 174.74 172.89 2k5g s THR 134 N 1.65 4.92 -0.29 0.89 2.01 0.11 -0.25 115.64 124.67 2k5g s THR 134 Ca 0.04 -1.04 -0.10 0.00 0.31 0.00 0.00 61.69 60.91 2k5g s THR 134 Cb -0.19 -3.60 0.01 0.00 0.01 0.00 0.00 72.50 68.73 2k5g s THR 134 CO 0.09 -0.23 0.36 0.54 -0.69 0.00 0.00 174.62 174.69 2k5g n ARG 135 N -0.93 -1.82 -4.55 4.92 1.74 -1.25 -0.99 116.66 113.78 2k5g n ARG 135 Ca -0.08 1.73 -0.23 0.00 -0.77 0.00 0.00 57.85 58.49 2k5g n ARG 135 Cb 0.56 -4.42 -0.14 0.00 -1.02 0.00 0.00 32.46 27.44 2k5g n ARG 135 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2k5g s LEU 136 N -1.99 2.16 -0.01 0.55 1.43 -1.12 -4.10 118.68 115.59 2k5g s LEU 136 Ca 0.15 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 2k5g s LEU 136 Cb -0.04 -0.84 -0.26 0.00 0.03 0.00 0.00 46.19 45.08 2k5g s LEU 136 CO 0.55 0.12 0.79 0.00 0.23 0.00 0.00 176.35 178.04 2k5g h ALA 137 N 4.95 0.40 -2.26 4.21 0.00 -1.95 -3.47 119.26 121.14 2k5g h ALA 137 Ca -0.40 -1.20 0.17 0.00 0.00 0.00 0.00 54.91 53.48 2k5g h ALA 137 Cb 1.17 0.34 -0.10 0.00 0.00 0.00 0.00 17.79 19.20 2k5g h ALA 137 CO 0.44 1.26 0.51 0.34 0.00 0.00 0.00 179.25 181.80 2k5g s ASP 138 N -6.79 -0.21 0.57 0.00 2.15 -1.26 -5.01 116.67 106.12 2k5g s ASP 138 Ca -0.09 -0.29 0.28 0.00 0.43 0.00 0.00 52.55 52.88 2k5g s ASP 138 Cb 0.07 0.44 1.72 0.00 -0.30 0.00 0.00 42.92 44.85 2k5g s ASP 138 CO 0.83 -0.79 2.22 0.03 -0.17 0.00 0.00 175.17 177.29 2k5g h ARG 139 N 2.00 0.00 -0.67 4.34 -0.00 -1.95 0.11 114.38 118.21 2k5g h ARG 139 Ca -0.24 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.22 2k5g h ARG 139 Cb 1.23 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 31.17 2k5g h ARG 139 CO 0.27 0.02 0.34 0.00 0.00 0.00 0.00 179.97 180.60 2k5g h ALA 140 N 1.98 1.32 -0.21 0.04 0.00 -1.98 0.18 119.26 120.59 2k5g h ALA 140 Ca -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2k5g h ALA 140 Cb 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2k5g h ALA 140 CO 0.00 0.53 0.06 0.00 0.00 0.00 0.00 179.25 179.84 2k5g h ALA 141 N 1.42 0.28 -0.64 0.00 0.00 -1.17 0.24 119.26 119.39 2k5g h ALA 141 Ca 0.24 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.13 2k5g h ALA 141 Cb 0.08 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.69 2k5g h ALA 141 CO -0.03 -0.08 0.10 0.52 0.00 0.00 0.00 179.25 179.76 2k5g h MET 142 N 0.16 0.21 0.00 0.00 2.07 -1.21 0.12 114.93 116.29 2k5g h MET 142 Ca 0.07 -0.01 -0.04 0.00 -2.07 0.00 0.00 59.70 57.65 2k5g h MET 142 Cb 0.26 -0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 29.93 2k5g h MET 142 CO -0.00 0.14 -0.18 -0.07 1.07 0.00 0.00 176.91 177.87 2k5g h LEU 143 N 0.22 0.00 -0.05 1.22 3.38 -0.28 0.30 115.31 120.10 2k5g h LEU 143 Ca 0.34 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.26 2k5g h LEU 143 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2k5g h LEU 143 CO -0.47 0.18 -0.19 -0.78 0.09 0.00 0.00 178.44 177.26 2k5g h ASP 144 N 0.00 0.25 0.77 -0.43 3.58 0.21 -3.20 116.42 117.60 2k5g h ASP 144 Ca -0.00 -0.64 0.00 0.00 0.42 0.00 0.00 57.03 56.81 2k5g h ASP 144 Cb 0.52 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.50 2k5g h ASP 144 CO 0.02 0.85 -0.26 1.33 -2.88 0.00 0.00 179.24 178.30 2k5g n VAL 145 N -4.57 0.03 0.16 2.25 0.24 -0.50 -3.49 118.33 112.45 2k5g n VAL 145 Ca -0.08 -0.02 0.18 0.00 -2.04 0.00 0.00 64.34 62.38 2k5g n VAL 145 Cb 0.43 -0.13 0.79 0.00 -1.47 0.00 0.00 33.84 33.45 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 2.97 1.96 0.00 2.33 0.00 -0.39 -2.95 119.26 123.19 2k5g h ALA 146 Ca 0.00 -0.01 -0.50 0.00 0.00 0.00 0.00 54.91 54.40 2k5g h ALA 146 Cb 0.51 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.34 2k5g h ALA 146 CO 0.00 -0.42 2.84 0.41 0.00 0.00 0.00 179.25 182.08 2k5g n GLY 147 N -1.45 3.34 0.00 0.00 0.00 -1.23 -3.78 105.19 102.06 2k5g n GLY 147 Ca 0.04 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 3.87 1.14 0.00 -0.02 0.00 -1.20 -3.90 105.19 105.07 2k5g n GLY 148 Ca 0.52 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.55 2k5g n GLY 148 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2k5g n TRP 149 N 0.00 0.00 -0.31 1.61 7.02 -1.12 -2.45 117.44 122.19 2k5g n TRP 149 Ca 0.00 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.58 2k5g n TRP 149 Cb 0.00 0.00 0.27 0.00 -2.42 0.00 0.00 31.31 29.16 2k5g n TRP 149 CO 0.00 0.00 0.00 1.12 -2.02 0.00 0.00 177.69 176.79 2k5g h HIS 150 N 0.00 0.82 -0.77 -5.99 2.07 -1.86 0.52 115.15 109.94 2k5g h HIS 150 Ca 0.00 0.04 0.13 0.00 -2.85 0.00 0.00 60.37 57.69 2k5g h HIS 150 Cb 0.00 -0.23 -0.09 0.00 2.57 0.00 0.00 27.41 29.67 2k5g h HIS 150 CO 0.00 0.14 0.35 0.00 -3.07 0.00 0.00 177.93 175.35 2k5g h ALA 151 N 1.61 1.10 0.00 6.11 0.00 -1.79 -0.10 119.26 126.19 2k5g h ALA 151 Ca 0.51 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.52 2k5g h ALA 151 Cb 0.81 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2k5g h ALA 151 CO -0.41 -0.14 0.00 1.12 0.00 0.00 0.00 179.25 179.83 2k5g h HIS 152 N 0.53 0.00 0.00 0.00 2.07 -0.55 -1.29 115.15 115.91 2k5g h HIS 152 Ca 0.41 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.92 2k5g h HIS 152 Cb 0.57 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.55 2k5g h HIS 152 CO -0.13 0.00 -0.06 -0.07 -3.07 0.00 0.00 177.93 174.60 2k5g h LEU 153 N 0.00 0.00 0.03 6.12 -0.00 -0.97 0.23 115.31 120.72 2k5g h LEU 153 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2k5g h LEU 153 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.07 2k5g h LEU 153 CO 0.00 0.06 -0.01 0.00 -0.00 0.00 0.00 178.44 178.49 2k5g h ALA 154 N 1.94 -0.04 -0.65 1.53 0.00 -1.32 -2.68 119.26 118.03 2k5g h ALA 154 Ca -0.00 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.58 2k5g h ALA 154 Cb 0.15 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2k5g h ALA 154 CO 0.01 -0.15 0.43 0.28 0.00 0.00 0.00 179.25 179.82 2k5g h VAL 155 N -0.79 1.16 0.40 0.00 2.07 -1.56 -1.53 116.25 116.00 2k5g h VAL 155 Ca -0.00 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2k5g h VAL 155 Cb 0.69 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 2k5g h VAL 155 CO 0.01 0.16 -0.46 0.25 0.02 0.00 0.00 177.57 177.54 2k5g h LEU 156 N 0.87 -1.30 -0.61 2.57 7.12 -0.57 -0.01 115.31 123.38 2k5g h LEU 156 Ca 0.24 0.11 -0.03 0.00 0.13 0.00 0.00 57.88 58.33 2k5g h LEU 156 Cb -0.08 0.44 -0.03 0.00 -0.53 0.00 0.00 40.66 40.46 2k5g h LEU 156 CO -0.05 -0.59 0.27 0.00 -0.13 0.00 0.00 178.44 177.94 2k5g h ALA 157 N -0.93 0.80 -0.91 1.25 0.00 -1.28 -0.39 119.26 117.79 2k5g h ALA 157 Ca -0.05 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.76 2k5g h ALA 157 Cb 0.78 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 2k5g h ALA 157 CO -0.09 0.38 0.60 0.78 0.00 0.00 0.00 179.25 180.92 2k5g h GLY 158 N 0.85 1.33 0.84 0.00 0.00 -1.15 -0.73 103.07 104.21 2k5g h GLY 158 Ca 0.21 -0.43 -0.19 0.00 0.00 0.00 0.00 47.33 46.92 2k5g h GLY 158 CO -0.02 0.34 -0.76 1.70 0.00 0.00 0.00 176.54 177.79 2k5g h LYS 159 N 1.08 0.43 -0.19 4.80 1.63 -0.56 -0.39 116.57 123.37 2k5g h LYS 159 Ca 0.38 -0.53 -0.03 0.00 -0.85 0.00 0.00 60.65 59.63 2k5g h LYS 159 Cb 0.13 0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 2k5g h LYS 159 CO -0.13 1.19 -0.01 -0.07 -3.45 0.00 0.00 179.45 176.97 2k5g h LEU 160 N -0.09 0.25 -0.44 5.20 3.38 -0.83 0.28 115.31 123.07 2k5g h LEU 160 Ca -0.11 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2k5g h LEU 160 Cb 1.49 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.18 2k5g h LEU 160 CO 0.15 0.32 0.00 0.00 0.09 0.00 0.00 178.44 178.99 2k5g n ALA 161 N -2.49 1.88 -1.24 1.53 0.00 -0.30 -4.89 120.51 115.00 2k5g n ALA 161 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2k5g n ALA 161 Cb 0.19 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.23 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 0.47 0.74 0.28 0.00 0.00 0.09 -5.07 105.19 101.69 2k5g n GLY 162 Ca 0.03 -0.69 -0.02 0.00 0.00 0.00 0.00 46.02 45.35 2k5g n GLY 162 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k5g n GLN 163 N -1.50 1.28 -3.58 1.61 6.02 -0.16 -5.03 117.38 116.02 2k5g n GLN 163 Ca 0.00 -0.24 -0.40 0.00 -0.01 0.00 0.00 57.00 56.35 2k5g n GLN 163 Cb 0.26 0.01 -0.07 0.00 1.02 0.00 0.00 30.24 31.47 2k5g n GLN 163 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k5g s ALA 164 N -2.06 3.90 0.88 -1.58 0.00 -1.26 -4.52 121.76 117.12 2k5g s ALA 164 Ca 0.03 -3.42 -0.10 0.00 0.00 0.00 0.00 51.96 48.46 2k5g s ALA 164 Cb -0.00 -2.97 0.13 0.00 0.00 0.00 0.00 23.12 20.28 2k5g s ALA 164 CO 0.02 -2.17 1.14 -1.25 0.00 0.00 0.00 175.76 173.50 2k5g s PRO 165 N -0.31 1.26 0.73 0.00 0.04 -1.26 -4.97 135.00 130.50 2k5g s PRO 165 Ca 0.20 1.52 -0.16 0.00 0.04 0.00 0.00 61.00 62.60 2k5g s PRO 165 Cb -0.15 -1.76 0.03 0.00 0.04 0.00 0.00 34.50 32.66 2k5g s PRO 165 CO -0.07 -2.44 1.14 -0.35 0.04 0.00 0.00 177.00 175.32 2k5g n PRO 166 N -4.03 0.55 -1.77 0.56 -0.04 -1.26 -4.89 135.00 124.11 2k5g n PRO 166 Ca 0.12 0.25 -0.42 0.00 -0.04 0.00 0.00 63.50 63.41 2k5g n PRO 166 Cb 0.52 -2.39 -0.03 0.00 -0.04 0.00 0.00 33.50 31.56 2k5g n PRO 166 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 2k5g s PRO 167 N -3.63 4.15 0.34 0.54 0.02 -1.26 -4.77 135.00 130.39 2k5g s PRO 167 Ca 0.76 2.50 0.05 0.00 0.02 0.00 0.00 61.00 64.33 2k5g s PRO 167 Cb -0.33 -3.92 0.70 0.00 0.02 0.00 0.00 34.50 30.96 2k5g s PRO 167 CO 0.48 -0.88 1.92 0.35 -0.33 0.00 0.00 177.00 178.53 2k5g h PHE 168 N 9.64 0.86 -0.36 6.54 3.57 -1.97 0.99 116.94 136.22 2k5g h PHE 168 Ca -0.46 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.04 2k5g h PHE 168 Cb 1.22 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 2k5g h PHE 168 CO 0.88 0.42 0.13 2.35 -2.23 0.00 0.00 178.31 179.86 2k5g h TRP 169 N 0.82 0.50 0.10 0.41 -0.00 -1.90 0.52 115.95 116.40 2k5g h TRP 169 Ca 0.37 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 59.24 2k5g h TRP 169 Cb 0.38 -0.16 0.00 0.00 -0.00 0.00 0.00 29.16 29.38 2k5g h TRP 169 CO -0.00 0.41 -0.05 1.15 -0.00 0.00 0.00 178.44 179.95 2k5g h THR 170 N 0.51 1.02 -0.48 2.65 2.02 -1.28 -3.23 112.91 114.12 2k5g h THR 170 Ca 0.13 -1.34 -0.01 0.00 0.77 0.00 0.00 66.41 65.95 2k5g h THR 170 Cb 0.13 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 2k5g h THR 170 CO -0.01 0.28 0.25 0.74 0.37 0.00 0.00 175.52 177.15 2k5g h THR 171 N -0.85 1.15 0.39 3.16 2.02 -0.69 -1.27 112.91 116.83 2k5g h THR 171 Ca -0.01 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 2k5g h THR 171 Cb 0.57 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 2k5g h THR 171 CO 0.02 0.17 -0.38 0.25 0.37 0.00 0.00 175.52 175.95 2k5g h LEU 172 N 0.66 -1.04 -0.65 2.58 5.85 -0.06 0.33 115.31 122.98 2k5g h LEU 172 Ca 0.17 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.92 2k5g h LEU 172 Cb 0.04 0.34 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2k5g h LEU 172 CO -0.03 -0.51 0.20 0.00 -0.34 0.00 0.00 178.44 177.77 2k5g h ALA 173 N -1.14 0.85 -0.46 1.25 0.00 -1.54 -0.28 119.26 117.95 2k5g h ALA 173 Ca -0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2k5g h ALA 173 Cb 0.66 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2k5g h ALA 173 CO -0.04 0.53 0.23 0.37 0.00 0.00 0.00 179.25 180.33 2k5g h GLN 174 N 0.94 0.66 -0.09 0.00 -0.00 -1.15 0.25 115.11 115.72 2k5g h GLN 174 Ca 0.21 -0.09 -0.09 0.00 -0.00 0.00 0.00 58.65 58.67 2k5g h GLN 174 Cb 0.30 -0.12 -0.01 0.00 0.00 0.00 0.00 27.48 27.64 2k5g h GLN 174 CO -0.01 0.55 -0.37 0.00 0.00 0.00 0.00 178.83 179.00 2k5g h ALA 175 N 1.07 1.21 -0.14 3.38 0.00 -0.08 0.39 119.26 125.09 2k5g h ALA 175 Ca 0.16 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2k5g h ALA 175 Cb 0.11 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2k5g h ALA 175 CO -0.02 0.54 -0.02 0.93 0.00 0.00 0.00 179.25 180.68 2k5g h GLU 176 N 0.15 0.27 -0.48 0.00 5.08 -0.55 -0.36 114.58 118.69 2k5g h GLU 176 Ca 0.02 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 2k5g h GLU 176 Cb 0.74 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 2k5g h GLU 176 CO 0.06 0.54 0.19 1.96 -1.00 0.00 0.00 179.01 180.76 2k5g h GLN 177 N -0.02 0.71 -0.74 2.33 1.08 -0.21 0.28 115.11 118.54 2k5g h GLN 177 Ca 0.04 -0.13 -0.05 0.00 -1.45 0.00 0.00 58.65 57.06 2k5g h GLN 177 Cb 0.43 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.71 2k5g h GLN 177 CO 0.01 0.64 0.27 0.22 -0.95 0.00 0.00 178.83 179.02 2k5g h ASP 178 N 0.63 1.05 0.78 1.46 3.58 -0.23 -1.04 116.42 122.66 2k5g h ASP 178 Ca 0.16 -0.19 -0.18 0.00 0.42 0.00 0.00 57.03 57.24 2k5g h ASP 178 Cb 0.19 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 2k5g h ASP 178 CO -0.01 0.96 -0.83 0.22 -2.88 0.00 0.00 179.24 176.69 2k5g h TYR 179 N 1.09 0.05 -0.66 0.28 5.03 -0.88 -2.85 116.97 119.03 2k5g h TYR 179 Ca 0.24 -0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.47 2k5g h TYR 179 Cb 0.25 -0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.50 2k5g h TYR 179 CO 0.02 0.85 0.19 1.49 -1.32 0.00 0.00 178.16 179.39 2k5g h GLU 180 N 0.02 1.01 -0.01 1.82 4.22 0.03 -2.01 114.58 119.66 2k5g h GLU 180 Ca -0.01 -0.21 -0.09 0.00 0.08 0.00 0.00 59.36 59.13 2k5g h GLU 180 Cb 1.46 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 2k5g h GLU 180 CO 0.11 0.87 -0.41 0.37 -2.18 0.00 0.00 179.01 177.77 2k5g h GLN 181 N 0.97 0.02 -0.52 1.92 5.75 -1.13 -2.85 115.11 119.28 2k5g h GLN 181 Ca 0.21 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.69 2k5g h GLN 181 Cb 0.30 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.82 2k5g h GLN 181 CO -0.01 0.43 0.25 -0.09 -2.65 0.00 0.00 178.83 176.76 2k5g h ARG 182 N 0.02 0.72 -5.91 1.69 1.12 -1.13 -3.42 114.38 107.48 2k5g h ARG 182 Ca -0.00 -0.08 -0.59 0.00 -1.11 0.00 0.00 59.98 58.19 2k5g h ARG 182 Cb 0.74 -0.14 -0.06 0.00 -0.01 0.00 0.00 29.97 30.49 2k5g h ARG 182 CO 0.05 0.56 -0.17 -1.17 -3.11 0.00 0.00 179.97 176.13 2k5g s LEU 183 N -9.47 4.40 -1.20 3.80 2.96 -1.08 -4.96 118.68 113.13 2k5g s LEU 183 Ca -0.09 0.92 -0.16 0.00 -0.22 0.00 0.00 54.13 54.57 2k5g s LEU 183 Cb 0.17 -2.64 0.13 0.00 0.50 0.00 0.00 46.19 44.34 2k5g s LEU 183 CO 0.77 0.20 1.51 -0.22 -1.32 0.00 0.00 176.35 177.28 2k5g s LEU 184 N -0.41 4.55 -0.29 -0.68 1.98 -1.26 -4.84 118.68 117.72 2k5g s LEU 184 Ca 0.25 -2.62 -0.15 0.00 -2.89 0.00 0.00 54.13 48.71 2k5g s LEU 184 Cb -0.16 -2.47 0.13 0.00 0.66 0.00 0.00 46.19 44.35 2k5g s LEU 184 CO 0.12 -0.97 0.87 -0.70 -1.89 0.00 0.00 176.35 173.79 2k5g s GLU 185 N 2.79 0.47 0.41 1.98 2.56 -1.26 -5.18 118.70 120.47 2k5g s GLU 185 Ca 0.46 0.88 0.04 0.00 0.00 0.00 0.00 54.97 56.35 2k5g s GLU 185 Cb -0.01 0.21 -0.00 0.00 2.00 0.00 0.00 34.13 36.33 2k5g s GLU 185 CO 0.01 -0.11 0.59 -1.01 -0.56 0.00 0.00 175.26 174.18 2k5g s HIS 186 N 1.70 3.12 -0.06 5.30 3.76 -1.26 -4.99 115.29 122.85 2k5g s HIS 186 Ca -0.08 -0.02 -0.03 0.00 -0.15 0.00 0.00 55.06 54.78 2k5g s HIS 186 Cb -0.05 -2.23 0.04 0.00 1.11 0.00 0.00 32.58 31.45 2k5g s HIS 186 CO -0.17 -0.27 0.13 -3.38 -0.85 0.00 0.00 174.74 170.20 2k5g s HIS 187 N -2.40 -0.13 0.63 1.40 -3.43 -1.26 -5.16 115.29 104.94 2k5g s HIS 187 Ca 0.48 0.47 -0.04 0.00 -0.80 0.00 0.00 55.06 55.17 2k5g s HIS 187 Cb -0.10 -0.20 0.04 0.00 -1.43 0.00 0.00 32.58 30.90 2k5g s HIS 187 CO 0.35 -0.20 0.91 -1.01 -2.00 0.00 0.00 174.74 172.80 2k5g s HIS 188 N 1.64 2.97 -0.69 0.38 3.76 -1.26 -5.01 115.29 117.08 2k5g s HIS 188 Ca -0.04 0.34 -0.27 0.00 -0.15 0.00 0.00 55.06 54.95 2k5g s HIS 188 Cb -0.12 -2.96 0.03 0.00 1.11 0.00 0.00 32.58 30.65 2k5g s HIS 188 CO -0.05 -1.12 1.21 -1.01 -0.85 0.00 0.00 174.74 172.92 2k5g s HIS 189 N -3.04 2.41 -0.16 1.40 3.76 -1.26 -5.00 115.29 113.40 2k5g s HIS 189 Ca 0.58 -0.01 -0.07 0.00 -0.15 0.00 0.00 55.06 55.42 2k5g s HIS 189 Cb -0.11 -4.54 -0.04 0.00 1.11 0.00 0.00 32.58 29.00 2k5g s HIS 189 CO 0.43 -1.90 0.06 -1.58 -0.85 0.00 0.00 174.74 170.90 2k5g s HIS 190 N 5.31 3.26 -2.00 1.40 5.04 -1.26 -5.34 115.29 121.71 2k5g s HIS 190 Ca 0.35 0.12 0.11 0.00 -1.54 0.00 0.00 55.06 54.10 2k5g s HIS 190 Cb -0.09 -2.02 0.67 0.00 0.04 0.00 0.00 32.58 31.17 2k5g s HIS 190 CO 0.17 0.24 1.10 1.58 -2.34 0.00 0.00 174.74 175.49