#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5g s THR 2 N 0.00 4.21 -0.40 2.03 2.01 -1.26 -4.79 115.64 117.44 2k5g s THR 2 Ca 0.00 1.57 0.03 0.00 0.31 0.00 0.00 61.69 63.60 2k5g s THR 2 Cb 0.00 -3.75 0.11 0.00 0.01 0.00 0.00 72.50 68.88 2k5g s THR 2 CO 0.00 -0.11 0.14 -0.44 -0.69 0.00 0.00 174.62 173.52 2k5g s SER 3 N -1.90 4.38 0.33 3.53 0.01 -1.26 -5.04 113.70 113.75 2k5g s SER 3 Ca 0.58 -2.39 -0.29 0.00 1.31 0.00 0.00 55.95 55.16 2k5g s SER 3 Cb -0.14 -1.44 -0.11 0.00 0.21 0.00 0.00 66.02 64.55 2k5g s SER 3 CO 0.19 -0.33 1.39 -2.16 0.41 0.00 0.00 173.24 172.74 2k5g s PRO 4 N 0.60 4.26 -0.09 12.44 0.04 -1.26 -4.82 135.00 146.16 2k5g s PRO 4 Ca 0.13 2.35 0.01 0.00 0.04 0.00 0.00 61.00 63.53 2k5g s PRO 4 Cb -0.21 -3.04 -0.03 0.00 0.04 0.00 0.00 34.50 31.26 2k5g s PRO 4 CO -0.07 -0.34 -0.09 -1.12 0.04 0.00 0.00 177.00 175.41 2k5g s SER 5 N -0.23 4.43 0.06 6.66 0.01 -1.26 -5.08 113.70 118.29 2k5g s SER 5 Ca 0.52 -0.13 -0.31 0.00 1.31 0.00 0.00 55.95 57.34 2k5g s SER 5 Cb -0.42 -1.28 -0.08 0.00 0.21 0.00 0.00 66.02 64.45 2k5g s SER 5 CO 0.55 0.29 1.59 -0.44 0.41 0.00 0.00 173.24 175.64 2k5g s SER 6 N -0.40 6.66 -0.71 2.44 0.01 -1.26 -4.80 113.70 115.64 2k5g s SER 6 Ca 0.05 2.42 -0.26 0.00 1.31 0.00 0.00 55.95 59.47 2k5g s SER 6 Cb -0.12 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.53 2k5g s SER 6 CO 0.02 -0.84 1.77 0.00 0.41 0.00 0.00 173.24 174.60 2k5g s ALA 7 N 2.43 2.19 -0.61 1.44 0.00 -1.26 -4.30 121.76 121.64 2k5g s ALA 7 Ca 0.71 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 51.70 2k5g s ALA 7 Cb -0.38 -4.36 0.15 0.00 0.00 0.00 0.00 23.12 18.53 2k5g s ALA 7 CO 0.31 -3.97 0.38 -0.06 0.00 0.00 0.00 175.76 172.42 2k5g s PHE 8 N 8.57 3.37 0.25 0.00 0.08 -1.25 -4.87 117.98 124.13 2k5g s PHE 8 Ca 0.62 -3.18 -0.30 0.00 0.12 0.00 0.00 56.93 54.19 2k5g s PHE 8 Cb -0.10 -2.85 -0.10 0.00 -0.57 0.00 0.00 43.02 39.40 2k5g s PHE 8 CO 0.14 -0.69 1.50 -2.14 -0.10 0.00 0.00 175.22 173.93 2k5g s PRO 9 N -0.72 4.22 -0.35 0.24 0.02 -1.26 -3.22 135.00 133.93 2k5g s PRO 9 Ca 0.20 2.38 0.01 0.00 0.02 0.00 0.00 61.00 63.62 2k5g s PRO 9 Cb -0.17 -3.09 0.11 0.00 0.02 0.00 0.00 34.50 31.36 2k5g s PRO 9 CO -0.06 -0.50 0.12 0.34 -0.33 0.00 0.00 177.00 176.56 2k5g s ASP 10 N 0.49 4.17 -0.17 2.53 2.15 -1.26 -4.99 116.67 119.59 2k5g s ASP 10 Ca 0.62 -2.01 0.01 0.00 0.43 0.00 0.00 52.55 51.60 2k5g s ASP 10 Cb -0.44 -1.13 0.02 0.00 -0.30 0.00 0.00 42.92 41.08 2k5g s ASP 10 CO 0.43 -0.37 -0.17 -0.83 -0.17 0.00 0.00 175.17 174.06 2k5g s GLY 11 N 1.13 1.28 0.00 2.66 0.00 -1.26 -4.84 107.32 106.29 2k5g s GLY 11 Ca 0.12 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.74 2k5g s GLY 11 CO -0.15 0.41 0.00 1.42 0.00 0.00 0.00 173.10 174.78 2k5g n HIS 12 N 4.68 0.00 -0.09 1.90 8.25 -1.26 -5.16 115.22 123.54 2k5g n HIS 12 Ca -0.19 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.28 2k5g n HIS 12 Cb 0.50 0.15 -0.01 0.00 1.12 0.00 0.00 29.99 31.75 2k5g n HIS 12 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k5g n GLY 13 N 2.36 -2.65 3.26 -1.41 0.00 -1.26 -5.05 105.19 100.44 2k5g n GLY 13 Ca 0.00 -1.43 0.03 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.06 -2.74 -0.36 4.61 0.00 -1.26 -5.13 121.76 113.82 2k5g s ALA 14 Ca 0.00 1.81 -0.10 0.00 0.00 0.00 0.00 51.96 53.67 2k5g s ALA 14 Cb 0.00 -2.21 0.03 0.00 0.00 0.00 0.00 23.12 20.93 2k5g s ALA 14 CO 0.00 -1.24 0.18 -0.98 0.00 0.00 0.00 175.76 173.72 2k5g s ARG 15 N 2.80 2.83 0.00 0.00 1.04 -1.26 -4.92 118.95 119.44 2k5g s ARG 15 Ca 0.05 -1.07 0.00 0.00 -1.04 0.00 0.00 55.73 53.67 2k5g s ARG 15 Cb -0.11 -3.67 0.00 0.00 -2.04 0.00 0.00 34.95 29.13 2k5g s ARG 15 CO -0.17 -0.67 0.00 1.28 -0.04 0.00 0.00 175.30 175.70 2k5g n LEU 16 N 4.96 0.00 -2.20 -1.89 4.32 -1.26 -5.13 117.00 115.79 2k5g n LEU 16 Ca -0.12 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 55.84 2k5g n LEU 16 Cb 0.46 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.23 2k5g n LEU 16 CO 0.35 -0.21 -0.42 -0.67 -1.22 0.00 0.00 177.39 175.22 2k5g n ASP 17 N -1.63 -1.53 -3.09 -1.43 2.03 -1.26 -5.04 116.55 104.59 2k5g n ASP 17 Ca 0.00 0.87 -0.16 0.00 0.52 0.00 0.00 54.79 56.01 2k5g n ASP 17 Cb 0.00 -3.73 -0.01 0.00 -0.72 0.00 0.00 41.12 36.66 2k5g n ASP 17 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k5g n ALA 18 N 1.00 1.63 -1.06 -1.67 0.00 -1.26 -4.92 120.51 114.24 2k5g n ALA 18 Ca -0.24 -3.08 -0.02 0.00 0.00 0.00 0.00 53.44 50.10 2k5g n ALA 18 Cb 0.37 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 18.84 2k5g n ALA 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2k5g n GLN 19 N 0.27 -1.36 -3.70 0.00 6.02 -1.26 -4.86 117.38 112.49 2k5g n GLN 19 Ca 0.21 0.45 -0.01 0.00 -0.01 0.00 0.00 57.00 57.65 2k5g n GLN 19 Cb 0.67 -4.53 -0.01 0.00 1.02 0.00 0.00 30.24 27.40 2k5g n GLN 19 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2k5g s SER 20 N -2.12 -0.10 -0.29 1.08 1.04 -1.26 -4.27 113.70 107.77 2k5g s SER 20 Ca 0.00 -0.28 -0.11 0.00 0.48 0.00 0.00 55.95 56.05 2k5g s SER 20 Cb 0.00 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.40 2k5g s SER 20 CO 0.00 -0.59 0.17 -0.63 0.98 0.00 0.00 173.24 173.17 2k5g s ILE 21 N -2.77 5.02 -0.08 -1.02 1.01 -1.20 -4.51 121.20 117.66 2k5g s ILE 21 Ca 0.14 -0.07 -0.01 0.00 0.00 0.00 0.00 60.65 60.72 2k5g s ILE 21 Cb 0.02 -3.45 0.03 0.00 0.01 0.00 0.00 42.46 39.06 2k5g s ILE 21 CO -0.01 0.18 -0.02 -0.13 0.00 0.00 0.00 174.94 174.96 2k5g s ARG 22 N 1.70 0.85 -0.18 2.79 0.52 -1.23 -0.26 118.95 123.14 2k5g s ARG 22 Ca 0.06 0.00 -0.02 0.00 -0.52 0.00 0.00 55.73 55.25 2k5g s ARG 22 Cb -0.16 -1.11 0.05 0.00 0.52 0.00 0.00 34.95 34.25 2k5g s ARG 22 CO 0.09 -0.27 0.02 -0.06 0.02 0.00 0.00 175.30 175.10 2k5g s PHE 23 N 1.80 1.11 -0.34 -0.53 0.40 0.41 -4.93 117.98 115.90 2k5g s PHE 23 Ca 0.03 -0.83 -0.10 0.00 -0.60 0.00 0.00 56.93 55.44 2k5g s PHE 23 Cb -0.13 -1.05 0.01 0.00 0.51 0.00 0.00 43.02 42.37 2k5g s PHE 23 CO -0.05 -0.58 0.16 -1.83 0.70 0.00 0.00 175.22 173.62 2k5g s GLU 24 N 1.83 3.02 0.17 0.44 4.04 -1.26 0.87 118.70 127.81 2k5g s GLU 24 Ca -0.00 -0.93 0.08 0.00 0.04 0.00 0.00 54.97 54.15 2k5g s GLU 24 Cb -0.16 -3.61 -0.04 0.00 0.02 0.00 0.00 34.13 30.34 2k5g s GLU 24 CO -0.07 -0.57 -0.16 1.03 -1.84 0.00 0.00 175.26 173.65 2k5g s ARG 25 N 1.56 1.24 -0.11 -4.83 0.52 0.71 -4.95 118.95 113.08 2k5g s ARG 25 Ca 0.03 -1.44 -0.16 0.00 -0.52 0.00 0.00 55.73 53.64 2k5g s ARG 25 Cb -0.18 -1.16 -0.05 0.00 0.52 0.00 0.00 34.95 34.08 2k5g s ARG 25 CO 0.06 0.22 0.39 -1.17 0.02 0.00 0.00 175.30 174.81 2k5g s LEU 26 N -2.86 4.30 0.17 2.53 1.98 -1.26 -0.79 118.68 122.75 2k5g s LEU 26 Ca 0.17 0.71 0.09 0.00 -2.89 0.00 0.00 54.13 52.21 2k5g s LEU 26 Cb -0.04 -2.54 -0.04 0.00 0.66 0.00 0.00 46.19 44.24 2k5g s LEU 26 CO 0.06 0.11 -0.20 -0.76 -1.89 0.00 0.00 176.35 173.66 2k5g s LEU 27 N 0.23 2.42 0.39 -0.68 1.02 0.13 -4.99 118.68 117.21 2k5g s LEU 27 Ca 0.22 -0.85 -0.25 0.00 0.02 0.00 0.00 54.13 53.27 2k5g s LEU 27 Cb -0.14 -0.94 -0.09 0.00 0.02 0.00 0.00 46.19 45.04 2k5g s LEU 27 CO 0.08 0.02 1.13 -2.16 0.02 0.00 0.00 176.35 175.45 2k5g s PRO 28 N -2.68 4.12 0.00 1.29 0.04 -1.26 -1.46 135.00 135.04 2k5g s PRO 28 Ca 0.17 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.95 2k5g s PRO 28 Cb -0.07 -2.67 0.00 0.00 0.04 0.00 0.00 34.50 31.80 2k5g s PRO 28 CO 0.07 -0.24 0.00 0.41 0.04 0.00 0.00 177.00 177.29 2k5g n GLY 29 N 0.59 2.34 0.20 0.56 0.00 -1.26 -4.75 105.19 102.86 2k5g n GLY 29 Ca 0.04 -1.79 -0.12 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 -0.40 0.00 1.61 0.13 -1.80 -1.63 132.00 129.91 2k5g h PRO 30 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2k5g h PRO 30 Cb 0.00 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.22 2k5g h PRO 30 CO 0.00 -0.06 0.00 1.51 -0.23 0.00 0.00 178.00 179.22 2k5g n ILE 31 N -5.10 0.00 0.11 -3.56 0.13 -1.26 -4.22 119.36 105.47 2k5g n ILE 31 Ca -0.09 0.00 -0.13 0.00 -1.10 0.00 0.00 62.75 61.43 2k5g n ILE 31 Cb 0.27 0.00 -0.06 0.00 -0.84 0.00 0.00 39.64 39.00 2k5g n ILE 31 CO 0.00 0.00 0.00 -0.08 2.80 0.00 0.00 176.55 179.27 2k5g h GLU 32 N 0.00 -0.28 -0.21 9.51 4.22 -1.97 0.14 114.58 125.99 2k5g h GLU 32 Ca 0.00 0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.43 2k5g h GLU 32 Cb 0.00 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2k5g h GLU 32 CO 0.00 -0.19 0.01 -0.09 -2.18 0.00 0.00 179.01 176.56 2k5g h ARG 33 N -0.29 0.30 0.06 1.92 2.43 -1.92 -1.58 114.38 115.30 2k5g h ARG 33 Ca 0.00 -0.04 -0.25 0.00 -0.81 0.00 0.00 59.98 58.88 2k5g h ARG 33 Cb 0.28 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2k5g h ARG 33 CO -0.03 0.32 -1.08 0.28 -1.51 0.00 0.00 179.97 177.95 2k5g h VAL 34 N 0.30 1.47 -0.14 0.20 2.07 -1.72 -3.04 116.25 115.39 2k5g h VAL 34 Ca 0.07 -2.80 -0.16 0.00 0.82 0.00 0.00 66.70 64.63 2k5g h VAL 34 Cb 0.19 2.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 2k5g h VAL 34 CO 0.00 0.82 -0.59 -0.25 0.02 0.00 0.00 177.57 177.57 2k5g h TRP 35 N 0.13 0.60 -0.73 1.57 2.91 -0.49 -3.33 115.95 116.61 2k5g h TRP 35 Ca -0.10 -0.22 0.15 0.00 1.13 0.00 0.00 58.89 59.84 2k5g h TRP 35 Cb 1.77 -0.11 -0.10 0.00 -0.51 0.00 0.00 29.16 30.21 2k5g h TRP 35 CO 0.06 0.94 0.23 0.00 -1.03 0.00 0.00 178.44 178.64 2k5g h ALA 36 N 1.01 0.99 0.00 2.65 0.00 -1.17 0.27 119.26 123.01 2k5g h ALA 36 Ca -0.00 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2k5g h ALA 36 Cb 1.13 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2k5g h ALA 36 CO 0.11 -0.28 -0.26 0.11 0.00 0.00 0.00 179.25 178.93 2k5g h TRP 37 N 0.35 0.00 -0.05 0.00 5.08 -1.67 0.85 115.95 120.51 2k5g h TRP 37 Ca 0.41 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 60.22 2k5g h TRP 37 Cb 0.65 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.80 2k5g h TRP 37 CO -0.21 0.26 -0.67 -0.07 -1.28 0.00 0.00 178.44 176.46 2k5g h LEU 38 N 0.00 0.27 0.00 0.11 3.38 -0.68 -3.37 115.31 115.02 2k5g h LEU 38 Ca -0.00 -0.17 -0.44 0.00 0.09 0.00 0.00 57.88 57.36 2k5g h LEU 38 Cb 0.78 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.39 2k5g h LEU 38 CO 0.03 0.86 -2.46 0.00 0.09 0.00 0.00 178.44 176.96 2k5g n ALA 39 N -2.47 1.22 -2.47 1.53 0.00 -0.26 -4.95 120.51 113.11 2k5g n ALA 39 Ca -0.03 -1.07 -0.42 0.00 0.00 0.00 0.00 53.44 51.92 2k5g n ALA 39 Cb 0.66 0.04 -0.03 0.00 0.00 0.00 0.00 19.45 20.12 2k5g n ALA 39 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k5g s ASP 40 N -7.26 7.08 0.41 0.00 2.15 0.29 -4.43 116.67 114.92 2k5g s ASP 40 Ca -0.37 1.84 0.21 0.00 0.43 0.00 0.00 52.55 54.66 2k5g s ASP 40 Cb 0.13 -2.56 0.84 0.00 -0.30 0.00 0.00 42.92 41.03 2k5g s ASP 40 CO 0.52 -0.53 1.81 0.00 -0.17 0.00 0.00 175.17 176.80 2k5g h ALA 41 N 7.25 1.06 -0.09 3.66 0.00 -1.86 -2.61 119.26 126.68 2k5g h ALA 41 Ca -0.36 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.14 2k5g h ALA 41 Cb 1.18 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.93 2k5g h ALA 41 CO 0.85 0.38 -0.46 0.22 0.00 0.00 0.00 179.25 180.24 2k5g h ASP 42 N 0.00 0.55 -0.15 0.00 1.82 -1.91 -2.56 116.42 114.18 2k5g h ASP 42 Ca -0.00 -0.65 -0.09 0.00 -0.39 0.00 0.00 57.03 55.90 2k5g h ASP 42 Cb 0.77 -0.16 -0.00 0.00 0.68 0.00 0.00 39.33 40.62 2k5g h ASP 42 CO 0.04 1.12 -0.25 0.50 -1.61 0.00 0.00 179.24 179.03 2k5g h LYS 43 N 0.03 0.43 0.00 0.28 3.64 -1.88 -3.12 116.57 115.94 2k5g h LYS 43 Ca -0.03 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 2k5g h LYS 43 Cb 1.11 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 2k5g h LYS 43 CO 0.09 0.86 0.00 2.89 -2.27 0.00 0.00 179.45 181.03 2k5g n ARG 44 N -4.44 0.29 0.08 1.90 1.85 -0.99 -2.54 116.66 112.82 2k5g n ARG 44 Ca -0.06 0.05 0.09 0.00 -1.00 0.00 0.00 57.85 56.93 2k5g n ARG 44 Cb 0.44 -1.50 0.40 0.00 -1.05 0.00 0.00 32.46 30.75 2k5g n ARG 44 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2k5g n ALA 45 N -1.33 1.53 -0.10 2.89 0.00 -0.96 0.12 120.51 122.66 2k5g n ALA 45 Ca 0.11 0.05 -0.12 0.00 0.00 0.00 0.00 53.44 53.47 2k5g n ALA 45 Cb 0.22 -1.30 -0.15 0.00 0.00 0.00 0.00 19.45 18.23 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 -1.93 0.68 -0.00 0.00 5.12 -1.05 -4.28 116.66 115.20 2k5g n ARG 46 Ca 0.02 0.04 0.09 0.00 -1.93 0.00 0.00 57.85 56.07 2k5g n ARG 46 Cb 0.17 -1.53 -0.11 0.00 -1.16 0.00 0.00 32.46 29.83 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 -2.90 0.00 0.00 -1.55 4.27 -1.12 -4.89 117.44 111.26 2k5g n TRP 47 Ca -0.36 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.25 2k5g n TRP 47 Cb 1.11 -0.07 0.00 0.00 -1.36 0.00 0.00 31.31 30.99 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 -1.55 0.00 -3.60 5.67 7.94 0.36 -4.64 117.00 121.18 2k5g n LEU 48 Ca 0.02 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.88 2k5g n LEU 48 Cb 0.32 0.04 -0.02 0.00 0.53 0.00 0.00 43.42 44.28 2k5g n LEU 48 CO 0.37 -0.21 1.02 0.00 -1.11 0.00 0.00 177.39 177.46 2k5g s ALA 49 N -1.82 -2.09 0.42 1.96 0.00 0.12 -4.77 121.76 115.58 2k5g s ALA 49 Ca 0.00 1.57 -0.06 0.00 0.00 0.00 0.00 51.96 53.47 2k5g s ALA 49 Cb 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 2k5g s ALA 49 CO 0.00 -0.61 0.73 0.20 0.00 0.00 0.00 175.76 176.07 2k5g s GLY 50 N -2.21 1.64 0.00 0.00 0.00 -1.26 -2.78 107.32 102.71 2k5g s GLY 50 Ca 0.10 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.34 2k5g s GLY 50 CO -0.04 -0.33 0.00 0.61 0.00 0.00 0.00 173.10 173.34 2k5g n GLY 51 N -1.80 3.22 1.07 0.20 0.00 -1.26 -3.72 105.19 102.90 2k5g n GLY 51 Ca 0.00 -1.40 -0.07 0.00 0.00 0.00 0.00 46.02 44.55 2k5g n GLY 51 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2k5g n GLU 52 N 0.84 -0.04 -4.03 1.61 0.28 -1.26 -4.56 120.64 113.47 2k5g n GLU 52 Ca 0.00 -0.64 -0.26 0.00 -0.16 0.00 0.00 57.16 56.09 2k5g n GLU 52 Cb 0.00 -0.30 -0.05 0.00 1.43 0.00 0.00 31.44 32.52 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 3.99 0.00 -1.84 1.43 -1.26 -4.80 118.68 116.20 2k5g s LEU 53 Ca 0.20 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 2k5g s LEU 53 Cb -0.01 -2.59 0.00 0.00 0.03 0.00 0.00 46.19 43.63 2k5g s LEU 53 CO 0.14 0.06 0.00 -2.65 0.23 0.00 0.00 176.35 174.13 2k5g n PRO 54 N -0.42 0.32 -0.12 1.29 -0.02 -1.26 -5.05 135.00 129.75 2k5g n PRO 54 Ca -0.08 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.19 2k5g n PRO 54 Cb 0.54 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.92 2k5g n PRO 54 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2k5g n ARG 55 N -0.58 0.57 -3.77 -0.52 5.12 -1.26 -4.98 116.66 111.23 2k5g n ARG 55 Ca 0.00 0.18 -0.36 0.00 -1.93 0.00 0.00 57.85 55.74 2k5g n ARG 55 Cb 0.00 -1.44 -0.06 0.00 -1.16 0.00 0.00 32.46 29.80 2k5g n ARG 55 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2k5g s GLN 56 N -2.47 3.57 -0.31 5.56 -0.21 -1.26 -5.05 119.66 119.49 2k5g s GLN 56 Ca -0.33 -0.03 -0.29 0.00 0.02 0.00 0.00 55.36 54.73 2k5g s GLN 56 Cb 0.11 -3.14 -0.01 0.00 1.00 0.00 0.00 33.01 30.96 2k5g s GLN 56 CO 0.50 0.71 1.60 -2.14 -2.12 0.00 0.00 175.29 173.84 2k5g s PRO 57 N -1.38 3.60 0.00 2.91 0.02 -1.26 -2.27 135.00 136.61 2k5g s PRO 57 Ca 0.22 1.36 0.00 0.00 0.02 0.00 0.00 61.00 62.60 2k5g s PRO 57 Cb -0.13 -4.07 0.00 0.00 0.02 0.00 0.00 34.50 30.31 2k5g s PRO 57 CO 0.11 -1.54 0.00 0.41 -0.33 0.00 0.00 177.00 175.66 2k5g n GLY 58 N 5.00 1.87 3.82 0.52 0.00 0.02 -4.97 105.19 111.45 2k5g n GLY 58 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 2k5g n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k5g s GLN 59 N 0.00 2.56 -0.08 1.61 -0.21 -0.96 -4.85 119.66 117.74 2k5g s GLN 59 Ca 0.00 0.74 0.03 0.00 0.02 0.00 0.00 55.36 56.14 2k5g s GLN 59 Cb 0.00 -1.96 -0.02 0.00 1.00 0.00 0.00 33.01 32.02 2k5g s GLN 59 CO 0.00 -1.31 -0.15 0.95 -2.12 0.00 0.00 175.29 172.66 2k5g s THR 60 N -3.14 2.96 0.32 -0.19 -4.23 -1.26 -3.12 115.64 106.98 2k5g s THR 60 Ca 0.59 -0.74 0.10 0.00 -1.18 0.00 0.00 61.69 60.46 2k5g s THR 60 Cb -0.14 -2.18 -0.06 0.00 1.34 0.00 0.00 72.50 71.47 2k5g s THR 60 CO 0.54 0.57 -0.08 0.72 -0.54 0.00 0.00 174.62 175.82 2k5g s PHE 61 N -0.31 2.44 -0.32 3.99 -0.71 -0.44 -4.92 117.98 117.71 2k5g s PHE 61 Ca 0.02 -0.43 -0.13 0.00 -1.04 0.00 0.00 56.93 55.35 2k5g s PHE 61 Cb -0.13 -1.31 -0.03 0.00 -1.21 0.00 0.00 43.02 40.34 2k5g s PHE 61 CO 0.03 0.59 0.27 -1.21 -1.34 0.00 0.00 175.22 173.55 2k5g s GLU 62 N -3.62 3.68 0.48 1.99 2.02 -1.26 -1.07 118.70 120.92 2k5g s GLU 62 Ca 0.32 -0.44 0.01 0.00 0.02 0.00 0.00 54.97 54.88 2k5g s GLU 62 Cb -0.00 -3.75 -0.00 0.00 0.10 0.00 0.00 34.13 30.47 2k5g s GLU 62 CO 0.17 -0.37 0.04 -0.11 0.02 0.00 0.00 175.26 175.00 2k5g n LEU 63 N 5.18 0.00 -4.72 1.80 7.94 -0.04 -4.71 117.00 122.45 2k5g n LEU 63 Ca -0.12 -3.15 -0.24 0.00 -1.11 0.00 0.00 56.01 51.40 2k5g n LEU 63 Cb 0.50 0.52 -0.07 0.00 0.53 0.00 0.00 43.42 44.90 2k5g n LEU 63 CO 0.37 -0.46 -0.20 -1.00 -1.11 0.00 0.00 177.39 174.99 2k5g s HIS 64 N -2.88 2.64 0.10 1.96 3.76 -1.24 -0.12 115.29 119.51 2k5g s HIS 64 Ca 0.05 -0.46 0.00 0.00 -0.15 0.00 0.00 55.06 54.50 2k5g s HIS 64 Cb 0.00 -1.72 0.00 0.00 1.11 0.00 0.00 32.58 31.97 2k5g s HIS 64 CO 0.04 0.31 0.00 0.34 -0.85 0.00 0.00 174.74 174.57 2k5g n PHE 65 N -1.14 -0.78 -0.00 1.40 -0.00 0.10 -4.74 117.46 112.30 2k5g n PHE 65 Ca -0.02 0.42 -0.01 0.00 -0.00 0.00 0.00 57.45 57.83 2k5g n PHE 65 Cb 0.63 -1.13 -0.00 0.00 -0.00 0.00 0.00 39.48 38.98 2k5g n PHE 65 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 2k5g n ASN 66 N -1.58 0.49 0.00 -2.13 6.94 -1.26 -4.67 115.26 113.06 2k5g n ASN 66 Ca 0.00 0.07 0.00 0.00 -0.02 0.00 0.00 54.58 54.63 2k5g n ASN 66 Cb 0.07 -0.30 0.00 0.00 -2.36 0.00 0.00 39.78 37.19 2k5g n ASN 66 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k5g n HIS 67 N -2.97 0.00 0.00 -2.53 1.44 -1.26 -4.69 115.22 105.21 2k5g n HIS 67 Ca -0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.69 2k5g n HIS 67 Cb 0.07 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.18 2k5g n HIS 67 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2k5g n ALA 68 N 0.00 0.08 -2.13 1.59 0.00 -1.26 -1.56 120.51 117.24 2k5g n ALA 68 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 2k5g n ALA 68 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.18 3.53 -0.04 0.00 0.00 -1.26 -4.40 120.51 118.16 2k5g n ALA 69 Ca 0.00 -3.61 -0.07 0.00 0.00 0.00 0.00 53.44 49.77 2k5g n ALA 69 Cb 0.00 -3.57 -0.02 0.00 0.00 0.00 0.00 19.45 15.86 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 9.20 1.55 -3.51 0.00 0.00 -1.24 -4.24 117.00 118.77 2k5g n LEU 70 Ca 0.49 0.25 -0.17 0.00 0.00 0.00 0.00 56.01 56.58 2k5g n LEU 70 Cb 0.44 -0.57 -0.05 0.00 0.00 0.00 0.00 43.42 43.24 2k5g n LEU 70 CO 0.81 -0.37 0.41 0.28 0.00 0.00 0.00 177.39 178.51 2k5g s THR 71 N -2.51 0.00 0.00 1.96 -1.32 -1.25 -4.89 115.64 107.64 2k5g s THR 71 Ca -0.18 -0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.27 2k5g s THR 71 Cb 0.03 -0.99 0.00 0.00 -1.51 0.00 0.00 72.50 70.03 2k5g s THR 71 CO 0.26 -0.02 0.43 0.00 -2.21 0.00 0.00 174.62 173.08 2k5g n ALA 72 N 0.67 1.62 -0.92 11.08 0.00 -1.26 -4.85 120.51 126.86 2k5g n ALA 72 Ca -0.19 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 52.82 2k5g n ALA 72 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 2k5g n ALA 72 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k5g n GLU 73 N -0.07 0.00 -3.69 0.00 -0.58 -1.26 -4.05 120.64 111.00 2k5g n GLU 73 Ca 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 2k5g n GLU 73 Cb 0.14 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 30.91 2k5g n GLU 73 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2k5g s THR 74 N 0.00 -0.02 0.05 2.62 2.01 -1.26 -4.82 115.64 114.22 2k5g s THR 74 Ca 0.00 0.07 -0.04 0.00 0.31 0.00 0.00 61.69 62.03 2k5g s THR 74 Cb 0.00 -0.68 -0.02 0.00 0.01 0.00 0.00 72.50 71.81 2k5g s THR 74 CO 0.00 0.03 0.07 0.00 -0.69 0.00 0.00 174.62 174.03 2k5g s ALA 75 N 1.42 0.10 1.18 7.40 0.00 -1.26 -5.13 121.76 125.48 2k5g s ALA 75 Ca -0.09 -0.78 -0.13 0.00 0.00 0.00 0.00 51.96 50.96 2k5g s ALA 75 Cb -0.08 0.29 0.29 0.00 0.00 0.00 0.00 23.12 23.63 2k5g s ALA 75 CO -0.14 -0.36 1.02 -1.25 0.00 0.00 0.00 175.76 175.03 2k5g s PRO 76 N -3.19 -1.07 0.16 0.00 0.04 -1.26 -4.65 135.00 125.04 2k5g s PRO 76 Ca 0.00 0.78 -0.15 0.00 0.04 0.00 0.00 61.00 61.67 2k5g s PRO 76 Cb 0.02 -1.54 0.09 0.00 0.04 0.00 0.00 34.50 33.12 2k5g s PRO 76 CO -0.07 -3.81 1.74 0.00 0.04 0.00 0.00 177.00 174.90 2k5g h ALA 77 N -2.68 0.45 0.00 8.56 0.00 -2.01 -0.55 119.26 123.03 2k5g h ALA 77 Ca -0.63 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2k5g h ALA 77 Cb 1.34 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2k5g h ALA 77 CO 0.51 -0.28 0.00 2.89 0.00 0.00 0.00 179.25 182.37 2k5g n ARG 78 N -5.05 0.33 0.00 0.00 1.85 -1.26 -2.57 116.66 109.97 2k5g n ARG 78 Ca 0.02 0.06 0.05 0.00 -1.00 0.00 0.00 57.85 56.98 2k5g n ARG 78 Cb 0.16 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.07 2k5g n ARG 78 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60 2k5g n TYR 79 N -1.28 0.00 1.72 2.89 9.36 -0.32 -4.48 117.16 125.06 2k5g n TYR 79 Ca 0.11 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.43 2k5g n TYR 79 Cb 0.19 0.00 0.60 0.00 -0.63 0.00 0.00 39.34 39.50 2k5g n TYR 79 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2k5g n ALA 80 N -0.21 2.48 0.01 2.98 0.00 -0.58 -3.31 120.51 121.88 2k5g n ALA 80 Ca 0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 53.44 53.33 2k5g n ALA 80 Cb 0.20 -1.33 0.23 0.00 0.00 0.00 0.00 19.45 18.55 2k5g n ALA 80 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2k5g h GLN 81 N 0.00 0.50 -0.64 0.00 4.15 -1.78 -2.48 115.11 114.87 2k5g h GLN 81 Ca 0.00 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.26 2k5g h GLN 81 Cb 0.00 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.64 2k5g h GLN 81 CO 0.00 0.65 0.00 0.66 -1.93 0.00 0.00 178.83 178.21 2k5g n TYR 82 N -4.18 1.22 1.05 3.99 4.01 -1.21 -4.12 117.16 117.93 2k5g n TYR 82 Ca 0.00 -0.50 0.11 0.00 -0.16 0.00 0.00 57.90 57.36 2k5g n TYR 82 Cb 0.35 -0.18 0.07 0.00 -0.31 0.00 0.00 39.34 39.27 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 1.01 1.58 -4.60 7.72 2.03 -0.93 -3.61 116.55 119.74 2k5g n ASP 83 Ca 0.22 -1.24 -0.31 0.00 0.52 0.00 0.00 54.79 53.99 2k5g n ASP 83 Cb 0.74 0.47 -0.10 0.00 -0.72 0.00 0.00 41.12 41.52 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 -2.59 2.38 0.04 -0.67 0.52 -1.26 -4.31 118.95 113.06 2k5g s ARG 84 Ca 0.18 -0.86 -0.31 0.00 -0.52 0.00 0.00 55.73 54.22 2k5g s ARG 84 Cb 0.18 -2.43 -0.06 0.00 0.52 0.00 0.00 34.95 33.16 2k5g s ARG 84 CO 0.61 0.55 1.36 -1.25 0.02 0.00 0.00 175.30 176.59 2k5g s PRO 85 N -1.87 4.32 -0.08 3.54 0.04 -1.26 -4.78 135.00 134.90 2k5g s PRO 85 Ca 0.20 1.95 -0.01 0.00 0.04 0.00 0.00 61.00 63.19 2k5g s PRO 85 Cb -0.11 -3.44 -0.03 0.00 0.04 0.00 0.00 34.50 30.95 2k5g s PRO 85 CO 0.12 -0.48 -0.03 0.42 0.04 0.00 0.00 177.00 177.07 2k5g s ILE 86 N 1.80 4.03 -0.23 0.56 1.01 -1.26 -4.95 121.20 122.15 2k5g s ILE 86 Ca 0.63 -0.35 -0.06 0.00 0.00 0.00 0.00 60.65 60.87 2k5g s ILE 86 Cb -0.32 -2.68 -0.02 0.00 0.01 0.00 0.00 42.46 39.45 2k5g s ILE 86 CO 0.28 0.60 0.02 0.54 0.00 0.00 0.00 174.94 176.37 2k5g s VAL 87 N -0.77 3.89 -0.03 2.92 0.11 -1.26 -0.72 120.40 124.54 2k5g s VAL 87 Ca 0.12 -0.32 -0.02 0.00 -2.93 0.00 0.00 61.98 58.83 2k5g s VAL 87 Cb -0.11 -2.79 0.02 0.00 -1.53 0.00 0.00 36.38 31.96 2k5g s VAL 87 CO 0.02 0.38 0.07 0.00 -3.33 0.00 0.00 175.10 172.25 2k5g s ALA 88 N 1.50 -0.11 0.38 1.54 0.00 0.83 -4.96 121.76 120.94 2k5g s ALA 88 Ca 0.06 0.35 -0.25 0.00 0.00 0.00 0.00 51.96 52.12 2k5g s ALA 88 Cb -0.15 -0.24 -0.09 0.00 0.00 0.00 0.00 23.12 22.64 2k5g s ALA 88 CO 0.01 -0.09 1.03 1.03 0.00 0.00 0.00 175.76 177.74 2k5g s ARG 89 N 0.68 4.27 0.02 0.00 0.52 -1.26 -0.86 118.95 122.32 2k5g s ARG 89 Ca -0.05 1.50 0.01 0.00 -0.52 0.00 0.00 55.73 56.66 2k5g s ARG 89 Cb -0.07 -2.63 -0.01 0.00 0.52 0.00 0.00 34.95 32.75 2k5g s ARG 89 CO -0.03 -0.04 -0.04 -1.01 0.02 0.00 0.00 175.30 174.21 2k5g s HIS 90 N -1.62 0.31 -0.16 -0.53 3.76 -0.23 -4.91 115.29 111.91 2k5g s HIS 90 Ca 0.56 -0.30 -0.09 0.00 -0.15 0.00 0.00 55.06 55.07 2k5g s HIS 90 Cb -0.22 -0.20 -0.05 0.00 1.11 0.00 0.00 32.58 33.22 2k5g s HIS 90 CO 0.28 -0.08 0.15 0.99 -0.85 0.00 0.00 174.74 175.22 2k5g s THR 91 N -0.82 5.44 -0.13 1.30 2.01 -1.26 -1.33 115.64 120.85 2k5g s THR 91 Ca -0.07 0.23 -0.21 0.00 0.31 0.00 0.00 61.69 61.94 2k5g s THR 91 Cb -0.06 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 68.96 2k5g s THR 91 CO -0.00 0.51 0.62 -1.48 -0.69 0.00 0.00 174.62 173.58 2k5g s LEU 92 N -0.19 4.23 -0.02 4.42 2.34 -1.18 -1.11 118.68 127.17 2k5g s LEU 92 Ca 0.11 0.96 -0.00 0.00 0.06 0.00 0.00 54.13 55.26 2k5g s LEU 92 Cb -0.12 -2.92 -0.00 0.00 -0.56 0.00 0.00 46.19 42.60 2k5g s LEU 92 CO 0.01 -0.16 -0.01 0.25 -1.06 0.00 0.00 176.35 175.39 2k5g h LEU 93 N 7.36 0.00 -8.20 1.48 5.85 -0.73 0.09 115.31 121.17 2k5g h LEU 93 Ca -0.37 0.00 -0.42 0.00 0.84 0.00 0.00 57.88 57.93 2k5g h LEU 93 Cb 1.17 0.00 -0.26 0.00 0.37 0.00 0.00 40.66 41.93 2k5g h LEU 93 CO 0.76 0.13 -0.79 0.00 -0.34 0.00 0.00 178.44 178.20 2k5g s ARG 94 N -1.15 0.86 -0.32 1.25 1.70 -1.16 -4.39 118.95 115.75 2k5g s ARG 94 Ca -0.00 -0.57 -0.02 0.00 -0.47 0.00 0.00 55.73 54.67 2k5g s ARG 94 Cb 0.00 -0.84 0.12 0.00 -0.57 0.00 0.00 34.95 33.67 2k5g s ARG 94 CO 0.01 0.22 0.18 0.00 -1.08 0.00 0.00 175.30 174.62 2k5g s GLU 96 N 1.66 2.36 0.39 0.00 2.02 -0.24 -5.01 118.70 119.87 2k5g s GLU 96 Ca 0.13 -2.82 -0.17 0.00 0.02 0.00 0.00 54.97 52.13 2k5g s GLU 96 Cb -0.19 -3.51 -0.10 0.00 0.10 0.00 0.00 34.13 30.43 2k5g s GLU 96 CO -0.20 -1.18 0.84 -1.25 0.02 0.00 0.00 175.26 173.50 2k5g s PRO 97 N -0.59 4.08 -0.49 0.39 0.05 -1.26 -2.78 135.00 134.39 2k5g s PRO 97 Ca 0.20 0.86 -0.12 0.00 0.05 0.00 0.00 61.00 62.00 2k5g s PRO 97 Cb -0.18 -2.30 0.12 0.00 0.05 0.00 0.00 34.50 32.19 2k5g s PRO 97 CO -0.05 0.04 0.40 -1.25 0.05 0.00 0.00 177.00 176.18 2k5g s PRO 98 N -3.19 2.65 0.00 0.56 0.04 -1.26 -5.00 135.00 128.81 2k5g s PRO 98 Ca 0.58 -1.74 0.00 0.00 0.04 0.00 0.00 61.00 59.88 2k5g s PRO 98 Cb -0.10 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.39 2k5g s PRO 98 CO 0.17 -1.24 0.00 0.54 0.04 0.00 0.00 177.00 176.52 2k5g n ARG 99 N 5.03 0.00 -4.93 4.56 5.12 -1.12 -4.99 116.66 120.33 2k5g n ARG 99 Ca -0.10 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.55 2k5g n ARG 99 Cb 0.41 0.00 -0.16 0.00 -1.16 0.00 0.00 32.46 31.55 2k5g n ARG 99 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2k5g s VAL 100 N -0.89 1.55 0.03 1.55 1.01 -1.12 -0.18 120.40 122.35 2k5g s VAL 100 Ca 0.00 -0.80 -0.15 0.00 0.00 0.00 0.00 61.98 61.03 2k5g s VAL 100 Cb 0.00 -1.32 0.03 0.00 0.00 0.00 0.00 36.38 35.09 2k5g s VAL 100 CO 0.00 0.44 0.34 -1.48 0.00 0.00 0.00 175.10 174.40 2k5g s LEU 101 N -0.10 0.73 0.00 3.92 0.05 -0.52 -1.08 118.68 121.67 2k5g s LEU 101 Ca -0.01 -0.05 -0.00 0.00 0.05 0.00 0.00 54.13 54.12 2k5g s LEU 101 Cb -0.11 1.45 -0.00 0.00 -2.05 0.00 0.00 46.19 45.48 2k5g s LEU 101 CO 0.02 -0.58 0.00 0.00 -0.55 0.00 0.00 176.35 175.24 2k5g s ALA 102 N -2.16 -0.00 0.28 1.48 0.00 0.12 -0.92 121.76 120.55 2k5g s ALA 102 Ca -0.08 -0.08 0.08 0.00 0.00 0.00 0.00 51.96 51.88 2k5g s ALA 102 Cb -0.02 0.01 -0.06 0.00 0.00 0.00 0.00 23.12 23.06 2k5g s ALA 102 CO -0.01 -0.04 -0.08 -0.48 0.00 0.00 0.00 175.76 175.15 2k5g s LEU 103 N -0.28 2.54 0.11 0.00 0.05 -0.36 0.01 118.68 120.76 2k5g s LEU 103 Ca -0.03 -1.16 0.04 0.00 0.05 0.00 0.00 54.13 53.02 2k5g s LEU 103 Cb -0.02 -0.74 -0.04 0.00 -2.05 0.00 0.00 46.19 43.34 2k5g s LEU 103 CO -0.00 -0.27 0.10 0.28 -0.55 0.00 0.00 176.35 175.91 2k5g s THR 104 N -2.90 4.54 0.42 5.48 -1.32 -0.27 0.70 115.64 122.30 2k5g s THR 104 Ca 0.29 -0.86 -0.04 0.00 -1.21 0.00 0.00 61.69 59.87 2k5g s THR 104 Cb 0.02 -3.23 0.09 0.00 -1.51 0.00 0.00 72.50 67.87 2k5g s THR 104 CO 0.12 0.04 0.58 1.87 -2.21 0.00 0.00 174.62 175.03 2k5g n TRP 105 N 0.17 -3.59 -2.49 9.09 -0.00 0.23 -4.45 117.44 116.41 2k5g n TRP 105 Ca -0.08 -0.72 -0.39 0.00 -0.00 0.00 0.00 57.50 56.30 2k5g n TRP 105 Cb 0.53 -0.44 -0.04 0.00 -0.00 0.00 0.00 31.31 31.36 2k5g n TRP 105 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 177.69 177.89 2k5g s GLY 106 N -4.09 2.95 -0.29 5.87 0.00 -1.26 -4.62 107.32 105.89 2k5g s GLY 106 Ca 0.35 0.84 -0.12 0.00 0.00 0.00 0.00 44.72 45.79 2k5g s GLY 106 CO 0.24 1.38 0.22 -0.32 0.00 0.00 0.00 173.10 174.62 2k5g s GLY 107 N -1.11 1.93 0.00 0.20 0.00 -1.26 -4.46 107.32 102.61 2k5g s GLY 107 Ca 0.49 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 44.13 2k5g s GLY 107 CO 0.37 0.71 0.00 0.61 0.00 0.00 0.00 173.10 174.79 2k5g n GLY 108 N 5.02 3.74 3.59 0.20 0.00 -1.26 -5.05 105.19 111.43 2k5g n GLY 108 Ca -0.13 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 2k5g n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5g s ALA 109 N -2.43 3.46 0.00 4.61 0.00 -1.26 -4.84 121.76 121.31 2k5g s ALA 109 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.38 2k5g s ALA 109 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2k5g s ALA 109 CO 0.00 -1.39 0.00 0.41 0.00 0.00 0.00 175.76 174.78 2k5g n GLY 110 N 4.43 -1.58 0.75 0.00 0.00 -1.26 -5.09 105.19 102.44 2k5g n GLY 110 Ca 0.03 -1.39 0.09 0.00 0.00 0.00 0.00 46.02 44.75 2k5g n GLY 110 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k5g n GLU 111 N -0.58 -1.76 -3.13 1.61 4.07 -1.26 -4.89 120.64 114.70 2k5g n GLU 111 Ca 0.00 1.44 -0.35 0.00 -0.06 0.00 0.00 57.16 58.18 2k5g n GLU 111 Cb 0.00 -2.03 -0.06 0.00 -0.06 0.00 0.00 31.44 29.29 2k5g n GLU 111 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2k5g s ALA 112 N -3.73 3.41 0.16 4.31 0.00 -1.26 -4.81 121.76 119.85 2k5g s ALA 112 Ca 0.00 0.12 -0.34 0.00 0.00 0.00 0.00 51.96 51.74 2k5g s ALA 112 Cb 0.00 -2.78 -0.15 0.00 0.00 0.00 0.00 23.12 20.19 2k5g s ALA 112 CO 0.00 0.34 1.42 -2.30 0.00 0.00 0.00 175.76 175.22 2k5g n PRO 113 N 0.54 1.75 -0.62 0.00 -0.02 -1.26 -4.97 135.00 130.41 2k5g n PRO 113 Ca -0.02 0.63 -0.29 0.00 -2.02 0.00 0.00 63.50 61.80 2k5g n PRO 113 Cb 0.51 -2.30 0.26 0.00 -0.02 0.00 0.00 33.50 31.95 2k5g n PRO 113 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2k5g n SER 114 N 2.70 -3.02 -4.04 2.55 7.64 -1.26 -4.69 113.62 113.49 2k5g n SER 114 Ca 0.16 -1.00 -0.09 0.00 1.01 0.00 0.00 58.87 58.95 2k5g n SER 114 Cb 0.27 -0.95 -0.09 0.00 -1.01 0.00 0.00 64.21 62.43 2k5g n SER 114 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2k5g s GLU 115 N -5.18 0.98 -0.11 1.43 -1.05 -0.56 0.75 118.70 114.96 2k5g s GLU 115 Ca 0.66 -1.26 0.00 0.00 -0.15 0.00 0.00 54.97 54.22 2k5g s GLU 115 Cb -0.09 0.30 0.02 0.00 -0.44 0.00 0.00 34.13 33.93 2k5g s GLU 115 CO 0.53 -0.31 -0.10 0.08 0.95 0.00 0.00 175.26 176.40 2k5g s VAL 116 N -3.99 1.19 -0.23 1.83 1.01 0.22 0.05 120.40 120.49 2k5g s VAL 116 Ca 0.18 -0.42 -0.09 0.00 0.00 0.00 0.00 61.98 61.65 2k5g s VAL 116 Cb 0.06 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 2k5g s VAL 116 CO -0.01 0.39 0.12 -0.22 0.00 0.00 0.00 175.10 175.37 2k5g s LEU 117 N 1.41 3.91 -0.22 3.92 1.98 0.21 -1.22 118.68 128.68 2k5g s LEU 117 Ca 0.00 0.05 -0.04 0.00 -2.89 0.00 0.00 54.13 51.25 2k5g s LEU 117 Cb -0.13 -2.03 -0.01 0.00 0.66 0.00 0.00 46.19 44.67 2k5g s LEU 117 CO -0.06 0.08 -0.04 -0.36 -1.89 0.00 0.00 176.35 174.08 2k5g s PHE 118 N 0.97 2.96 -0.24 5.38 0.08 -0.10 -1.19 117.98 125.84 2k5g s PHE 118 Ca 0.06 -0.89 0.02 0.00 0.12 0.00 0.00 56.93 56.24 2k5g s PHE 118 Cb -0.14 -2.10 0.06 0.00 -0.57 0.00 0.00 43.02 40.27 2k5g s PHE 118 CO 0.03 -0.52 -0.08 -1.21 -0.10 0.00 0.00 175.22 173.34 2k5g s GLU 119 N 1.43 1.94 -0.16 0.44 2.02 -1.15 -1.44 118.70 121.79 2k5g s GLU 119 Ca 0.05 -1.10 -0.10 0.00 0.02 0.00 0.00 54.97 53.83 2k5g s GLU 119 Cb -0.14 -2.68 -0.05 0.00 0.10 0.00 0.00 34.13 31.36 2k5g s GLU 119 CO -0.03 -0.56 0.19 -0.51 0.02 0.00 0.00 175.26 174.38 2k5g s LEU 120 N 1.28 4.28 -0.02 1.80 1.43 0.75 -2.10 118.68 126.11 2k5g s LEU 120 Ca -0.06 0.40 0.05 0.00 -1.03 0.00 0.00 54.13 53.49 2k5g s LEU 120 Cb -0.19 -2.19 -0.01 0.00 0.03 0.00 0.00 46.19 43.84 2k5g s LEU 120 CO -0.06 0.22 -0.17 -0.44 0.23 0.00 0.00 176.35 176.13 2k5g s SER 121 N -0.04 2.01 -0.09 2.29 0.01 0.69 -4.66 113.70 113.92 2k5g s SER 121 Ca 0.13 -0.31 -0.05 0.00 1.31 0.00 0.00 55.95 57.03 2k5g s SER 121 Cb -0.12 -0.28 -0.04 0.00 0.21 0.00 0.00 66.02 65.79 2k5g s SER 121 CO 0.02 0.20 0.12 -1.83 0.41 0.00 0.00 173.24 172.16 2k5g s GLU 122 N -0.33 3.33 0.16 12.44 -1.05 -1.26 -0.34 118.70 131.64 2k5g s GLU 122 Ca 0.05 -0.24 0.01 0.00 -0.15 0.00 0.00 54.97 54.64 2k5g s GLU 122 Cb -0.07 -3.08 0.01 0.00 -0.44 0.00 0.00 34.13 30.55 2k5g s GLU 122 CO -0.00 0.74 0.05 0.00 0.95 0.00 0.00 175.26 176.99 2k5g n ALA 123 N 1.77 0.18 0.64 -0.84 0.00 0.15 -4.91 120.51 117.49 2k5g n ALA 123 Ca -0.18 -0.67 -0.03 0.00 0.00 0.00 0.00 53.44 52.56 2k5g n ALA 123 Cb 0.54 0.33 0.04 0.00 0.00 0.00 0.00 19.45 20.37 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 3.12 2.25 0.00 0.00 0.00 -1.26 -3.96 105.19 105.34 2k5g n GLY 124 Ca -0.04 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2k5g n GLY 124 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k5g n GLU 125 N 0.19 0.00 -0.92 1.61 2.13 -1.26 -5.15 120.64 117.24 2k5g n GLU 125 Ca 0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.91 2k5g n GLU 125 Cb 0.62 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.33 2k5g n GLU 125 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2k5g n GLN 126 N 0.00 0.60 -4.09 5.31 6.02 -1.25 -4.12 117.38 119.84 2k5g n GLN 126 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 2k5g n GLN 126 Cb 0.00 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.14 2k5g n GLN 126 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2k5g s VAL 127 N -1.16 0.60 -0.09 5.09 0.11 -0.54 0.30 120.40 124.71 2k5g s VAL 127 Ca 0.00 -1.00 0.02 0.00 -2.93 0.00 0.00 61.98 58.07 2k5g s VAL 127 Cb 0.00 -0.64 -0.02 0.00 -1.53 0.00 0.00 36.38 34.20 2k5g s VAL 127 CO 0.00 -0.30 -0.15 0.00 -3.33 0.00 0.00 175.10 171.32 2k5g s ARG 128 N -1.42 2.93 -0.03 1.54 3.03 0.53 0.22 118.95 125.75 2k5g s ARG 128 Ca -0.08 -0.72 0.03 0.00 2.03 0.00 0.00 55.73 57.00 2k5g s ARG 128 Cb -0.09 -2.47 -0.00 0.00 -1.03 0.00 0.00 34.95 31.36 2k5g s ARG 128 CO 0.01 0.40 -0.12 -1.17 -1.13 0.00 0.00 175.30 173.29 2k5g s LEU 129 N -0.15 1.87 -0.18 -1.89 2.96 0.03 -0.22 118.68 121.10 2k5g s LEU 129 Ca -0.01 -0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 53.65 2k5g s LEU 129 Cb -0.14 -0.67 -0.00 0.00 0.50 0.00 0.00 46.19 45.88 2k5g s LEU 129 CO 0.03 0.11 -0.12 0.54 -1.32 0.00 0.00 176.35 175.59 2k5g s VAL 130 N 0.05 2.85 -0.34 1.68 0.11 -0.89 -0.21 120.40 123.65 2k5g s VAL 130 Ca -0.01 -0.69 -0.22 0.00 -2.93 0.00 0.00 61.98 58.13 2k5g s VAL 130 Cb -0.08 -2.24 0.00 0.00 -1.53 0.00 0.00 36.38 32.53 2k5g s VAL 130 CO 0.01 0.49 0.70 -0.22 -3.33 0.00 0.00 175.10 172.74 2k5g s LEU 131 N 1.05 4.17 -0.30 2.54 1.98 0.25 -2.91 118.68 125.47 2k5g s LEU 131 Ca -0.00 0.34 0.03 0.00 -2.89 0.00 0.00 54.13 51.60 2k5g s LEU 131 Cb -0.15 -2.90 0.08 0.00 0.66 0.00 0.00 46.19 43.89 2k5g s LEU 131 CO -0.03 -0.61 -0.01 -0.89 -1.89 0.00 0.00 176.35 172.92 2k5g s THR 132 N 2.83 2.05 -0.50 3.68 2.01 -0.34 -0.44 115.64 124.93 2k5g s THR 132 Ca 0.28 -1.91 -0.23 0.00 0.31 0.00 0.00 61.69 60.13 2k5g s THR 132 Cb -0.14 -2.37 0.03 0.00 0.01 0.00 0.00 72.50 70.03 2k5g s THR 132 CO 0.14 -0.36 0.85 -2.28 -0.69 0.00 0.00 174.62 172.28 2k5g s HIS 133 N 1.08 2.91 0.37 4.92 2.46 0.64 0.64 115.29 128.31 2k5g s HIS 133 Ca 0.02 0.06 -0.03 0.00 0.47 0.00 0.00 55.06 55.59 2k5g s HIS 133 Cb -0.19 -3.85 -0.04 0.00 -0.13 0.00 0.00 32.58 28.37 2k5g s HIS 133 CO -0.08 -1.15 0.62 0.95 -2.47 0.00 0.00 174.74 172.61 2k5g s THR 134 N 3.55 5.02 -0.85 0.89 -4.23 0.11 -3.21 115.64 116.92 2k5g s THR 134 Ca 0.30 -0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 60.64 2k5g s THR 134 Cb -0.13 -3.83 -0.04 0.00 1.34 0.00 0.00 72.50 69.84 2k5g s THR 134 CO 0.21 -0.59 0.74 -1.14 -0.54 0.00 0.00 174.62 173.30 2k5g n ARG 135 N -1.73 -2.51 -3.82 3.99 0.63 -1.26 -1.49 116.66 110.47 2k5g n ARG 135 Ca -0.02 0.68 -0.35 0.00 -0.92 0.00 0.00 57.85 57.24 2k5g n ARG 135 Cb 0.55 -4.98 -0.12 0.00 0.45 0.00 0.00 32.46 28.36 2k5g n ARG 135 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2k5g s LEU 136 N -5.01 5.09 0.01 6.15 1.43 -1.26 -4.43 118.68 120.67 2k5g s LEU 136 Ca 0.29 -2.00 0.22 0.00 -1.03 0.00 0.00 54.13 51.61 2k5g s LEU 136 Cb -0.04 -1.79 -0.15 0.00 0.03 0.00 0.00 46.19 44.24 2k5g s LEU 136 CO 0.58 -0.50 0.83 0.00 0.23 0.00 0.00 176.35 177.49 2k5g n ALA 137 N 4.54 3.63 -2.62 4.21 0.00 -1.26 -4.60 120.51 124.41 2k5g n ALA 137 Ca -0.02 -0.49 -0.20 0.00 0.00 0.00 0.00 53.44 52.72 2k5g n ALA 137 Cb 0.42 -0.85 -0.15 0.00 0.00 0.00 0.00 19.45 18.87 2k5g n ALA 137 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k5g s ASP 138 N -3.83 1.36 0.53 0.00 -1.08 -1.26 -5.00 116.67 107.38 2k5g s ASP 138 Ca 0.02 -0.21 0.34 0.00 -0.52 0.00 0.00 52.55 52.17 2k5g s ASP 138 Cb 0.15 -0.15 1.47 0.00 -1.46 0.00 0.00 42.92 42.92 2k5g s ASP 138 CO 0.85 0.14 2.00 0.03 0.52 0.00 0.00 175.17 178.72 2k5g h ARG 139 N 5.85 0.00 -0.03 4.34 3.08 -1.99 0.74 114.38 126.37 2k5g h ARG 139 Ca -0.33 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.63 2k5g h ARG 139 Cb 1.17 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 2k5g h ARG 139 CO 0.49 0.00 -0.42 0.00 -1.07 0.00 0.00 179.97 178.97 2k5g h ALA 140 N 2.03 1.26 0.11 0.04 0.00 -1.97 0.19 119.26 120.92 2k5g h ALA 140 Ca 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2k5g h ALA 140 Cb 0.41 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2k5g h ALA 140 CO 0.00 0.54 -0.05 0.00 0.00 0.00 0.00 179.25 179.74 2k5g h ALA 141 N 1.53 -0.15 -0.70 0.00 0.00 -1.27 0.33 119.26 119.00 2k5g h ALA 141 Ca 0.00 -0.22 0.15 0.00 0.00 0.00 0.00 54.91 54.84 2k5g h ALA 141 Cb 0.76 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.50 2k5g h ALA 141 CO 0.06 -0.34 0.12 0.52 0.00 0.00 0.00 179.25 179.61 2k5g h MET 142 N -0.63 0.22 0.00 0.00 2.07 -1.37 0.15 114.93 115.37 2k5g h MET 142 Ca -0.01 -0.01 -0.04 0.00 -2.07 0.00 0.00 59.70 57.56 2k5g h MET 142 Cb 0.50 -0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 30.17 2k5g h MET 142 CO 0.02 0.14 -0.21 -0.07 1.07 0.00 0.00 176.91 177.87 2k5g h LEU 143 N 0.23 0.00 -0.08 1.22 3.38 -0.47 0.43 115.31 120.01 2k5g h LEU 143 Ca 0.39 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.33 2k5g h LEU 143 Cb 0.65 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 2k5g h LEU 143 CO -0.51 0.21 -0.06 -0.78 0.09 0.00 0.00 178.44 177.39 2k5g h ASP 144 N 0.00 0.19 0.41 -0.43 3.58 0.25 -2.95 116.42 117.47 2k5g h ASP 144 Ca -0.00 -0.45 0.00 0.00 0.42 0.00 0.00 57.03 57.00 2k5g h ASP 144 Cb 0.60 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.60 2k5g h ASP 144 CO 0.03 0.60 -0.22 1.33 -2.88 0.00 0.00 179.24 178.09 2k5g n VAL 145 N -4.72 0.00 0.41 2.25 0.24 -0.61 -3.88 118.33 112.00 2k5g n VAL 145 Ca -0.07 -0.06 -0.17 0.00 -2.04 0.00 0.00 64.34 61.99 2k5g n VAL 145 Cb 0.29 0.09 -0.08 0.00 -1.47 0.00 0.00 33.84 32.67 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 3.46 -1.05 -0.27 2.33 0.00 0.02 -0.82 119.26 122.93 2k5g h ALA 146 Ca 0.00 -0.24 -0.72 0.00 0.00 0.00 0.00 54.91 53.95 2k5g h ALA 146 Cb 0.45 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 2k5g h ALA 146 CO 0.00 -1.01 2.85 0.41 0.00 0.00 0.00 179.25 181.50 2k5g n GLY 147 N -1.07 4.53 0.00 0.00 0.00 -1.13 -3.81 105.19 103.72 2k5g n GLY 147 Ca -0.14 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 3.63 -0.80 0.36 -0.02 0.00 -1.25 -4.68 105.19 102.43 2k5g n GLY 148 Ca 0.51 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.87 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 1.18 -0.98 1.61 -0.00 -0.23 -2.06 115.95 115.47 2k5g h TRP 149 Ca 0.00 0.03 0.16 0.00 -0.00 0.00 0.00 58.89 59.08 2k5g h TRP 149 Cb 0.00 -0.39 -0.09 0.00 -0.00 0.00 0.00 29.16 28.68 2k5g h TRP 149 CO 0.00 0.67 0.61 0.45 -0.00 0.00 0.00 178.44 180.17 2k5g h HIS 150 N 1.21 1.01 0.00 2.65 3.86 -1.29 -1.00 115.15 121.58 2k5g h HIS 150 Ca 0.39 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.63 2k5g h HIS 150 Cb 0.03 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 28.19 2k5g h HIS 150 CO -0.01 0.31 -0.01 0.00 0.86 0.00 0.00 177.93 179.08 2k5g h ALA 151 N 1.60 1.61 0.00 2.45 0.00 -1.61 -1.41 119.26 121.90 2k5g h ALA 151 Ca 0.52 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.42 2k5g h ALA 151 Cb 0.78 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2k5g h ALA 151 CO -0.30 0.02 -0.03 1.12 0.00 0.00 0.00 179.25 180.06 2k5g h HIS 152 N 0.00 0.00 0.00 0.00 2.07 -1.29 -0.65 115.15 115.28 2k5g h HIS 152 Ca -0.00 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.43 2k5g h HIS 152 Cb 0.03 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.00 2k5g h HIS 152 CO 0.00 0.03 -0.44 -0.07 -3.07 0.00 0.00 177.93 174.38 2k5g h LEU 153 N 0.00 0.00 0.08 6.12 3.38 -1.42 0.34 115.31 123.81 2k5g h LEU 153 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2k5g h LEU 153 Cb 0.13 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.89 2k5g h LEU 153 CO 0.00 0.44 -0.62 0.00 0.09 0.00 0.00 178.44 178.35 2k5g h ALA 154 N 1.56 -0.02 -0.70 1.53 0.00 -1.29 -3.10 119.26 117.26 2k5g h ALA 154 Ca -0.00 -0.69 0.05 0.00 0.00 0.00 0.00 54.91 54.26 2k5g h ALA 154 Cb 0.86 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 2k5g h ALA 154 CO 0.06 0.31 0.46 0.28 0.00 0.00 0.00 179.25 180.36 2k5g h VAL 155 N -0.61 1.07 0.55 0.00 2.07 -1.46 -1.26 116.25 116.61 2k5g h VAL 155 Ca -0.12 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 2k5g h VAL 155 Cb 1.42 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 2k5g h VAL 155 CO 0.07 0.14 -0.50 0.25 0.02 0.00 0.00 177.57 177.56 2k5g h LEU 156 N 0.79 -1.36 -1.12 2.57 5.85 -0.98 -0.66 115.31 120.41 2k5g h LEU 156 Ca 0.29 0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.11 2k5g h LEU 156 Cb 0.14 0.44 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 2k5g h LEU 156 CO -0.09 -0.68 0.55 0.00 -0.34 0.00 0.00 178.44 177.88 2k5g h ALA 157 N -0.90 1.35 0.12 1.25 0.00 -1.40 0.19 119.26 119.88 2k5g h ALA 157 Ca -0.07 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2k5g h ALA 157 Cb 0.89 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2k5g h ALA 157 CO -0.04 0.58 -0.10 0.78 0.00 0.00 0.00 179.25 180.48 2k5g h GLY 158 N 1.18 -0.22 0.98 0.00 0.00 -1.01 0.11 103.07 104.11 2k5g h GLY 158 Ca 0.31 0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.69 2k5g h GLY 158 CO -0.06 -0.10 0.06 1.70 0.00 0.00 0.00 176.54 178.13 2k5g h LYS 159 N -0.23 0.81 -0.67 4.80 1.63 -0.83 -2.59 116.57 119.49 2k5g h LYS 159 Ca -0.00 -0.23 0.06 0.00 -0.85 0.00 0.00 60.65 59.62 2k5g h LYS 159 Cb 0.21 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.71 2k5g h LYS 159 CO -0.01 0.83 0.44 -0.07 -3.45 0.00 0.00 179.45 177.19 2k5g h LEU 160 N 0.68 0.62 -1.33 5.20 -0.00 -0.78 0.49 115.31 120.20 2k5g h LEU 160 Ca 0.14 -0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.02 2k5g h LEU 160 Cb 0.42 -0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 40.95 2k5g h LEU 160 CO 0.01 0.41 -0.02 0.00 -0.00 0.00 0.00 178.44 178.85 2k5g h ALA 161 N 1.63 1.00 0.00 1.53 0.00 -0.65 -3.44 119.26 119.33 2k5g h ALA 161 Ca 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2k5g h ALA 161 Cb 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2k5g h ALA 161 CO -0.09 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.59 2k5g n GLY 162 N 0.12 0.91 2.04 0.00 0.00 0.16 -5.08 105.19 103.34 2k5g n GLY 162 Ca 0.01 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 2k5g n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5g n GLN 163 N -2.17 1.30 -2.35 1.61 10.64 -1.00 -5.03 117.38 120.38 2k5g n GLN 163 Ca 0.00 -2.07 -0.37 0.00 -1.83 0.00 0.00 57.00 52.73 2k5g n GLN 163 Cb 0.00 0.56 -0.02 0.00 -0.86 0.00 0.00 30.24 29.93 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 -2.49 2.97 0.59 2.61 0.00 -1.26 -3.85 121.76 120.32 2k5g s ALA 164 Ca 0.00 0.85 -0.16 0.00 0.00 0.00 0.00 51.96 52.65 2k5g s ALA 164 Cb 0.00 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 2k5g s ALA 164 CO 0.00 -0.54 1.06 -1.25 0.00 0.00 0.00 175.76 175.04 2k5g s PRO 165 N -2.74 3.32 0.83 0.00 0.04 -1.26 -4.58 135.00 130.61 2k5g s PRO 165 Ca 0.63 1.23 -0.13 0.00 0.04 0.00 0.00 61.00 62.77 2k5g s PRO 165 Cb -0.26 -2.03 0.10 0.00 0.04 0.00 0.00 34.50 32.35 2k5g s PRO 165 CO 0.31 -0.81 1.20 -2.14 0.04 0.00 0.00 177.00 175.60 2k5g s PRO 166 N -4.02 1.50 0.01 0.56 0.02 -1.20 -3.83 135.00 128.04 2k5g s PRO 166 Ca 0.64 1.73 -0.30 0.00 0.02 0.00 0.00 61.00 63.10 2k5g s PRO 166 Cb -0.16 -1.76 -0.08 0.00 0.02 0.00 0.00 34.50 32.51 2k5g s PRO 166 CO 0.36 -2.32 1.98 -1.25 -0.33 0.00 0.00 177.00 175.45 2k5g s PRO 167 N -4.23 4.04 0.33 5.54 0.04 -1.26 -4.81 135.00 134.65 2k5g s PRO 167 Ca 0.72 2.54 0.00 0.00 0.04 0.00 0.00 61.00 64.31 2k5g s PRO 167 Cb -0.28 -4.18 0.55 0.00 0.04 0.00 0.00 34.50 30.64 2k5g s PRO 167 CO 0.52 -1.07 1.99 0.35 0.04 0.00 0.00 177.00 178.83 2k5g h PHE 168 N 11.01 0.91 -0.42 0.56 3.57 -1.92 -2.93 116.94 127.72 2k5g h PHE 168 Ca -0.48 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.05 2k5g h PHE 168 Cb 1.24 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.64 2k5g h PHE 168 CO 0.95 0.57 0.25 -1.49 -2.23 0.00 0.00 178.31 176.36 2k5g h TRP 169 N 0.97 0.48 0.39 0.41 4.06 -1.91 0.10 115.95 120.45 2k5g h TRP 169 Ca 0.27 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 61.21 2k5g h TRP 169 Cb -0.10 -0.16 0.00 0.00 -1.00 0.00 0.00 29.16 27.91 2k5g h TRP 169 CO -0.00 0.28 -0.19 1.15 -3.56 0.00 0.00 178.44 176.12 2k5g h THR 170 N 0.52 0.62 -0.26 1.49 2.02 -1.92 -0.69 112.91 114.69 2k5g h THR 170 Ca 0.16 -0.04 -0.09 0.00 0.77 0.00 0.00 66.41 67.21 2k5g h THR 170 Cb -0.01 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 2k5g h THR 170 CO -0.07 0.01 -0.24 0.74 0.37 0.00 0.00 175.52 176.33 2k5g h THR 171 N -0.55 1.26 0.95 3.16 2.02 -1.55 -1.38 112.91 116.82 2k5g h THR 171 Ca -0.05 -1.25 -0.05 0.00 0.77 0.00 0.00 66.41 65.83 2k5g h THR 171 Cb 0.42 1.33 0.01 0.00 -1.74 0.00 0.00 68.15 68.17 2k5g h THR 171 CO 0.09 0.40 -0.45 0.25 0.37 0.00 0.00 175.52 176.17 2k5g h LEU 172 N 0.43 -1.08 -0.61 2.58 5.85 -0.55 0.06 115.31 121.99 2k5g h LEU 172 Ca 0.06 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 2k5g h LEU 172 Cb 0.66 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 2k5g h LEU 172 CO 0.05 -0.75 0.14 0.00 -0.34 0.00 0.00 178.44 177.54 2k5g h ALA 173 N -1.27 0.80 -0.41 1.25 0.00 -1.10 -1.47 119.26 117.07 2k5g h ALA 173 Ca -0.13 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 2k5g h ALA 173 Cb 0.97 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2k5g h ALA 173 CO 0.21 0.52 0.02 0.37 0.00 0.00 0.00 179.25 180.36 2k5g h GLN 174 N 0.89 0.71 -0.28 0.00 4.15 -1.28 -0.94 115.11 118.36 2k5g h GLN 174 Ca 0.19 -0.22 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 2k5g h GLN 174 Cb 0.36 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 2k5g h GLN 174 CO 0.00 0.78 0.16 0.00 -1.93 0.00 0.00 178.83 177.85 2k5g h ALA 175 N 0.90 0.36 -0.13 3.38 0.00 -0.81 0.52 119.26 123.48 2k5g h ALA 175 Ca 0.12 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2k5g h ALA 175 Cb 0.45 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 2k5g h ALA 175 CO 0.02 -0.12 -0.19 0.93 0.00 0.00 0.00 179.25 179.88 2k5g h GLU 176 N 0.35 -0.24 -0.09 0.00 4.39 -1.15 -1.52 114.58 116.33 2k5g h GLU 176 Ca 0.10 0.02 -0.15 0.00 0.34 0.00 0.00 59.36 59.67 2k5g h GLU 176 Cb 0.04 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2k5g h GLU 176 CO -0.02 -0.16 -0.59 1.96 -1.16 0.00 0.00 179.01 179.05 2k5g h GLN 177 N -0.25 0.28 0.06 2.33 1.08 -0.92 -0.19 115.11 117.50 2k5g h GLN 177 Ca 0.10 -0.19 -0.00 0.00 -1.45 0.00 0.00 58.65 57.11 2k5g h GLN 177 Cb 0.39 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 2k5g h GLN 177 CO -0.28 0.78 -0.03 0.22 -0.95 0.00 0.00 178.83 178.58 2k5g h ASP 178 N 0.21 -0.07 1.12 1.46 3.58 0.31 -1.24 116.42 121.79 2k5g h ASP 178 Ca -0.00 -0.18 -0.15 0.00 0.42 0.00 0.00 57.03 57.12 2k5g h ASP 178 Cb 1.09 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 42.13 2k5g h ASP 178 CO 0.09 0.14 -0.72 1.88 -2.88 0.00 0.00 179.24 177.75 2k5g h TYR 179 N -0.27 0.00 0.00 0.28 0.05 -1.29 0.29 116.97 116.03 2k5g h TYR 179 Ca -0.01 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.73 2k5g h TYR 179 Cb 0.24 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 2k5g h TYR 179 CO -0.01 0.72 -0.20 1.49 -1.05 0.00 0.00 178.16 179.11 2k5g h GLU 180 N 0.00 0.00 0.00 4.88 4.22 -0.98 -3.25 114.58 119.45 2k5g h GLU 180 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.43 2k5g h GLU 180 Cb 1.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.72 2k5g h GLU 180 CO 0.09 0.20 0.00 0.94 -2.18 0.00 0.00 179.01 178.06 2k5g n GLN 181 N -4.09 0.00 0.00 1.92 0.00 -0.47 -4.90 117.38 109.84 2k5g n GLN 181 Ca -0.02 0.38 0.00 0.00 -0.00 0.00 0.00 57.00 57.36 2k5g n GLN 181 Cb 0.27 -0.87 0.00 0.00 0.00 0.00 0.00 30.24 29.64 2k5g n GLN 181 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 2k5g n ARG 182 N -1.83 0.00 -3.83 3.69 0.63 0.98 -4.63 116.66 111.68 2k5g n ARG 182 Ca 0.00 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.81 2k5g n ARG 182 Cb 0.00 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 32.81 2k5g n ARG 182 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2k5g s LEU 183 N 0.00 1.31 -1.19 6.15 1.43 -1.26 -5.05 118.68 120.07 2k5g s LEU 183 Ca 0.00 0.03 -0.17 0.00 -1.03 0.00 0.00 54.13 52.96 2k5g s LEU 183 Cb 0.00 0.81 0.11 0.00 0.03 0.00 0.00 46.19 47.15 2k5g s LEU 183 CO 0.00 -0.30 1.52 -0.22 0.23 0.00 0.00 176.35 177.57 2k5g s LEU 184 N -0.95 4.42 -0.12 1.79 2.96 -1.26 -4.63 118.68 120.89 2k5g s LEU 184 Ca -0.10 -2.51 0.15 0.00 -0.22 0.00 0.00 54.13 51.44 2k5g s LEU 184 Cb -0.05 -2.49 0.38 0.00 0.50 0.00 0.00 46.19 44.53 2k5g s LEU 184 CO 0.02 -1.03 1.29 -0.62 -1.32 0.00 0.00 176.35 174.69 2k5g n GLU 185 N 7.14 2.47 -2.04 1.98 1.02 -1.26 -5.01 120.64 124.95 2k5g n GLU 185 Ca 0.39 -2.54 -0.00 0.00 -0.02 0.00 0.00 57.16 54.99 2k5g n GLU 185 Cb 0.46 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 2k5g n GLU 185 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2k5g n HIS 186 N -0.61 -1.74 -3.38 -0.32 8.25 -1.26 -4.99 115.22 111.16 2k5g n HIS 186 Ca 0.17 0.76 -0.45 0.00 -0.26 0.00 0.00 57.72 57.94 2k5g n HIS 186 Cb 0.70 -2.61 -0.05 0.00 1.12 0.00 0.00 29.99 29.14 2k5g n HIS 186 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2k5g s HIS 187 N -0.83 3.42 0.20 4.41 2.46 -1.26 -5.05 115.29 118.64 2k5g s HIS 187 Ca 0.01 -1.64 0.10 0.00 0.47 0.00 0.00 55.06 54.00 2k5g s HIS 187 Cb -0.00 -3.72 -0.04 0.00 -0.13 0.00 0.00 32.58 28.68 2k5g s HIS 187 CO 0.34 -1.00 -0.13 -1.01 -2.47 0.00 0.00 174.74 170.47 2k5g s HIS 188 N 1.12 2.53 0.00 3.88 3.76 -1.26 -4.98 115.29 120.33 2k5g s HIS 188 Ca 0.08 -0.27 0.00 0.00 -0.15 0.00 0.00 55.06 54.72 2k5g s HIS 188 Cb -0.24 -1.22 0.00 0.00 1.11 0.00 0.00 32.58 32.24 2k5g s HIS 188 CO -0.01 0.54 0.00 1.58 -0.85 0.00 0.00 174.74 176.00 2k5g n HIS 189 N -0.04 0.00 0.00 1.40 -0.00 -1.26 -5.07 115.22 110.24 2k5g n HIS 189 Ca -0.10 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.08 2k5g n HIS 189 Cb 0.56 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.43 2k5g n HIS 189 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2k5g n HIS 190 N -0.30 0.00 0.23 1.57 8.25 -1.26 -5.39 115.22 118.31 2k5g n HIS 190 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.49 2k5g n HIS 190 Cb 0.00 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.13 2k5g n HIS 190 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59