#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 3.70 -0.57 1.12 2.01 -1.26 -4.96 115.64 115.67 2k5g s THR 2 Ca 0.00 0.42 -0.16 0.00 0.31 0.00 0.00 61.69 62.26 2k5g s THR 2 Cb 0.00 -4.79 0.14 0.00 0.01 0.00 0.00 72.50 67.86 2k5g s THR 2 CO 0.00 -1.70 0.55 -0.44 -0.69 0.00 0.00 174.62 172.34 2k5g s SER 3 N 4.20 6.24 0.00 3.53 0.01 -1.26 -5.04 113.70 121.38 2k5g s SER 3 Ca 0.40 -1.84 0.00 0.00 1.31 0.00 0.00 55.95 55.82 2k5g s SER 3 Cb -0.09 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 63.92 2k5g s SER 3 CO 0.17 -0.86 0.00 -0.81 0.41 0.00 0.00 173.24 172.14 2k5g n PRO 4 N 5.25 3.10 -3.78 12.44 -0.04 -1.26 -5.10 135.00 145.61 2k5g n PRO 4 Ca -0.11 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.14 2k5g n PRO 4 Cb 0.41 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.83 2k5g n PRO 4 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2k5g s SER 5 N -1.00 5.02 -0.13 3.54 0.01 0.10 -5.02 113.70 116.22 2k5g s SER 5 Ca 0.00 -0.69 -0.08 0.00 1.31 0.00 0.00 55.95 56.49 2k5g s SER 5 Cb 0.00 -0.73 -0.04 0.00 0.21 0.00 0.00 66.02 65.46 2k5g s SER 5 CO 0.00 -0.48 -0.06 0.28 0.41 0.00 0.00 173.24 173.38 2k5g h SER 6 N 1.22 0.00 -3.23 2.44 0.02 -1.96 -3.42 113.55 108.62 2k5g h SER 6 Ca -0.43 -0.08 0.12 0.00 -0.84 0.00 0.00 61.79 60.57 2k5g h SER 6 Cb 1.26 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 63.53 2k5g h SER 6 CO 0.60 0.75 0.65 0.00 -1.14 0.00 0.00 176.83 177.69 2k5g s ALA 7 N -2.63 -2.04 -0.35 3.77 0.00 -1.26 -4.83 121.76 114.42 2k5g s ALA 7 Ca -0.12 1.75 0.01 0.00 0.00 0.00 0.00 51.96 53.61 2k5g s ALA 7 Cb 0.02 -1.31 0.15 0.00 0.00 0.00 0.00 23.12 21.97 2k5g s ALA 7 CO 0.20 -0.23 0.31 -0.59 0.00 0.00 0.00 175.76 175.46 2k5g s PHE 8 N -0.39 -0.06 0.09 0.00 -0.71 -1.26 -5.14 117.98 110.51 2k5g s PHE 8 Ca 0.03 -0.91 -0.30 0.00 -1.04 0.00 0.00 56.93 54.72 2k5g s PHE 8 Cb -0.03 -0.55 -0.05 0.00 -1.21 0.00 0.00 43.02 41.17 2k5g s PHE 8 CO -0.06 -0.92 0.95 -2.14 -1.34 0.00 0.00 175.22 171.70 2k5g s PRO 9 N 1.53 4.67 0.46 1.99 0.02 -1.26 -5.06 135.00 137.35 2k5g s PRO 9 Ca 0.16 1.42 0.08 0.00 0.02 0.00 0.00 61.00 62.68 2k5g s PRO 9 Cb -0.17 -3.38 0.02 0.00 0.02 0.00 0.00 34.50 30.99 2k5g s PRO 9 CO -0.09 0.19 0.57 0.16 -0.33 0.00 0.00 177.00 177.50 2k5g s ASP 10 N 0.09 5.34 0.00 2.53 -4.77 -1.26 -5.12 116.67 113.48 2k5g s ASP 10 Ca 0.47 -0.64 0.00 0.00 -3.30 0.00 0.00 52.55 49.08 2k5g s ASP 10 Cb -0.23 -0.36 0.00 0.00 -1.09 0.00 0.00 42.92 41.24 2k5g s ASP 10 CO 0.29 -0.89 0.00 0.61 0.70 0.00 0.00 175.17 175.89 2k5g n GLY 11 N -1.87 3.41 2.66 2.12 0.00 -1.26 -5.12 105.19 105.14 2k5g n GLY 11 Ca 0.08 -0.90 -0.00 0.00 0.00 0.00 0.00 46.02 45.20 2k5g n GLY 11 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2k5g n HIS 12 N -1.13 -3.83 0.00 1.61 -0.00 -1.26 -5.08 115.22 105.53 2k5g n HIS 12 Ca 0.00 1.70 0.00 0.00 -0.00 0.00 0.00 57.72 59.42 2k5g n HIS 12 Cb 0.00 -3.91 0.00 0.00 -0.00 0.00 0.00 29.99 26.08 2k5g n HIS 12 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2k5g n GLY 13 N 0.67 1.74 3.50 1.57 0.00 -1.26 -5.19 105.19 106.23 2k5g n GLY 13 Ca 0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.33 0.25 -0.09 4.61 0.00 -1.26 -5.16 121.76 118.78 2k5g s ALA 14 Ca 0.00 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 50.80 2k5g s ALA 14 Cb 0.00 1.14 -0.02 0.00 0.00 0.00 0.00 23.12 24.24 2k5g s ALA 14 CO 0.00 -0.79 -0.17 0.50 0.00 0.00 0.00 175.76 175.30 2k5g s ARG 15 N -3.77 2.94 0.38 0.00 6.06 -1.26 -5.11 118.95 118.19 2k5g s ARG 15 Ca 0.27 -0.74 -0.25 0.00 -2.50 0.00 0.00 55.73 52.50 2k5g s ARG 15 Cb 0.01 -2.44 -0.09 0.00 0.06 0.00 0.00 34.95 32.49 2k5g s ARG 15 CO 0.12 0.37 1.14 -0.48 -2.50 0.00 0.00 175.30 173.95 2k5g s LEU 16 N -0.07 4.23 0.18 -0.88 2.34 -1.26 -4.76 118.68 118.46 2k5g s LEU 16 Ca -0.04 2.27 0.00 0.00 0.06 0.00 0.00 54.13 56.43 2k5g s LEU 16 Cb -0.14 -4.01 0.00 0.00 -0.56 0.00 0.00 46.19 41.48 2k5g s LEU 16 CO 0.04 -0.57 0.00 -0.67 -1.06 0.00 0.00 176.35 174.09 2k5g n ASP 17 N 0.18 -5.11 -3.92 1.48 -0.08 -1.26 -4.98 116.55 102.87 2k5g n ASP 17 Ca 0.04 0.58 -0.30 0.00 -1.51 0.00 0.00 54.79 53.60 2k5g n ASP 17 Cb 0.47 -1.64 -0.15 0.00 2.34 0.00 0.00 41.12 42.14 2k5g n ASP 17 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k5g s ALA 18 N -1.68 2.63 -0.01 -1.67 0.00 -1.26 -4.87 121.76 114.90 2k5g s ALA 18 Ca 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 51.96 49.44 2k5g s ALA 18 Cb 0.00 -1.93 -0.01 0.00 0.00 0.00 0.00 23.12 21.18 2k5g s ALA 18 CO 0.00 -1.79 -0.01 1.04 0.00 0.00 0.00 175.76 175.00 2k5g n GLN 19 N 4.07 0.04 -3.65 0.00 6.02 -1.26 -5.11 117.38 117.49 2k5g n GLN 19 Ca 0.03 0.01 -0.14 0.00 -0.01 0.00 0.00 57.00 56.89 2k5g n GLN 19 Cb 0.39 -1.02 -0.05 0.00 1.02 0.00 0.00 30.24 30.58 2k5g n GLN 19 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2k5g n SER 20 N -2.53 -0.68 -4.66 1.08 3.41 -1.26 -4.65 113.62 104.32 2k5g n SER 20 Ca -0.02 -2.63 -0.35 0.00 -0.26 0.00 0.00 58.87 55.60 2k5g n SER 20 Cb 0.52 1.47 -0.09 0.00 -0.26 0.00 0.00 64.21 65.85 2k5g n SER 20 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2k5g s ILE 21 N -2.96 5.16 -0.30 -1.33 -1.09 -1.12 -5.00 121.20 114.56 2k5g s ILE 21 Ca 0.29 0.11 -0.06 0.00 -2.23 0.00 0.00 60.65 58.75 2k5g s ILE 21 Cb 0.01 -3.37 0.16 0.00 -1.58 0.00 0.00 42.46 37.68 2k5g s ILE 21 CO 0.20 0.41 0.63 0.00 -1.23 0.00 0.00 174.94 174.95 2k5g s ARG 22 N 0.66 0.57 0.01 2.79 3.03 -1.25 0.71 118.95 125.48 2k5g s ARG 22 Ca 0.06 1.25 0.05 0.00 2.03 0.00 0.00 55.73 59.12 2k5g s ARG 22 Cb -0.12 0.73 -0.01 0.00 -1.03 0.00 0.00 34.95 34.51 2k5g s ARG 22 CO 0.01 -0.40 -0.15 -0.06 -1.13 0.00 0.00 175.30 173.58 2k5g s PHE 23 N 2.88 1.30 -0.12 5.89 0.08 -0.50 -4.96 117.98 122.56 2k5g s PHE 23 Ca 0.07 -0.28 0.03 0.00 0.12 0.00 0.00 56.93 56.86 2k5g s PHE 23 Cb -0.13 -0.81 -0.00 0.00 -0.57 0.00 0.00 43.02 41.50 2k5g s PHE 23 CO -0.20 0.00 -0.21 -1.83 -0.10 0.00 0.00 175.22 172.88 2k5g s GLU 24 N -0.62 3.12 0.16 0.44 -1.05 -1.26 -0.08 118.70 119.41 2k5g s GLU 24 Ca 0.05 -0.83 0.06 0.00 -0.15 0.00 0.00 54.97 54.10 2k5g s GLU 24 Cb -0.06 -2.41 -0.04 0.00 -0.44 0.00 0.00 34.13 31.17 2k5g s GLU 24 CO 0.00 0.14 -0.13 1.03 0.95 0.00 0.00 175.26 177.25 2k5g s ARG 25 N 0.46 1.16 -0.20 -4.83 0.52 0.38 -4.96 118.95 111.49 2k5g s ARG 25 Ca -0.14 -1.44 -0.10 0.00 -0.52 0.00 0.00 55.73 53.52 2k5g s ARG 25 Cb -0.17 -0.92 -0.05 0.00 0.52 0.00 0.00 34.95 34.33 2k5g s ARG 25 CO 0.06 0.15 0.12 -1.17 0.02 0.00 0.00 175.30 174.48 2k5g s LEU 26 N -3.01 4.14 0.13 2.53 1.98 -1.26 -0.14 118.68 123.05 2k5g s LEU 26 Ca 0.17 0.20 0.11 0.00 -2.89 0.00 0.00 54.13 51.71 2k5g s LEU 26 Cb -0.01 -2.07 -0.04 0.00 0.66 0.00 0.00 46.19 44.73 2k5g s LEU 26 CO 0.04 0.17 -0.25 -0.76 -1.89 0.00 0.00 176.35 173.65 2k5g s LEU 27 N 0.43 2.39 0.22 -0.68 2.01 0.17 -4.98 118.68 118.23 2k5g s LEU 27 Ca 0.07 -0.72 -0.30 0.00 0.01 0.00 0.00 54.13 53.20 2k5g s LEU 27 Cb -0.11 -1.28 -0.08 0.00 0.01 0.00 0.00 46.19 44.72 2k5g s LEU 27 CO -0.01 0.18 0.95 -2.16 1.01 0.00 0.00 176.35 176.32 2k5g s PRO 28 N -2.07 4.82 0.00 1.29 0.04 -1.26 -0.88 135.00 136.94 2k5g s PRO 28 Ca 0.15 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.68 2k5g s PRO 28 Cb -0.10 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.14 2k5g s PRO 28 CO 0.07 0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.97 2k5g n GLY 29 N 1.63 2.91 0.32 0.56 0.00 -0.63 -4.66 105.19 105.31 2k5g n GLY 29 Ca -0.01 -1.80 -0.15 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.58 0.00 1.61 0.13 -1.72 -2.25 132.00 129.19 2k5g h PRO 30 Ca 0.00 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2k5g h PRO 30 Cb 0.00 0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.26 2k5g h PRO 30 CO 0.00 -0.39 0.00 1.51 -0.23 0.00 0.00 178.00 178.89 2k5g n ILE 31 N -5.40 0.00 -0.09 -3.56 3.06 -1.26 -4.02 119.36 108.08 2k5g n ILE 31 Ca -0.09 0.00 -0.13 0.00 -2.50 0.00 0.00 62.75 60.03 2k5g n ILE 31 Cb 0.31 0.00 -0.01 0.00 0.54 0.00 0.00 39.64 40.48 2k5g n ILE 31 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 2k5g h GLU 32 N 0.00 0.87 -0.43 9.51 5.08 -1.93 -0.61 114.58 127.07 2k5g h GLU 32 Ca 0.00 -0.48 0.05 0.00 -1.00 0.00 0.00 59.36 57.93 2k5g h GLU 32 Cb 0.00 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 2k5g h GLU 32 CO 0.00 1.12 0.16 -0.09 -1.00 0.00 0.00 179.01 179.21 2k5g h ARG 33 N 0.70 0.33 -0.17 2.33 2.43 -1.91 0.23 114.38 118.32 2k5g h ARG 33 Ca 0.05 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.04 2k5g h ARG 33 Cb 1.02 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 2k5g h ARG 33 CO 0.10 0.22 -0.55 0.28 -1.51 0.00 0.00 179.97 178.51 2k5g h VAL 34 N 0.34 1.33 -0.47 0.20 2.07 -1.80 -2.91 116.25 115.01 2k5g h VAL 34 Ca 0.20 -1.81 -0.07 0.00 0.82 0.00 0.00 66.70 65.83 2k5g h VAL 34 Cb 0.17 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 2k5g h VAL 34 CO -0.19 0.56 0.01 -0.25 0.02 0.00 0.00 177.57 177.73 2k5g h TRP 35 N 0.38 0.89 -0.75 1.57 2.91 -0.73 -3.23 115.95 117.01 2k5g h TRP 35 Ca 0.01 -0.15 0.17 0.00 1.13 0.00 0.00 58.89 60.05 2k5g h TRP 35 Cb 1.08 -0.24 -0.12 0.00 -0.51 0.00 0.00 29.16 29.38 2k5g h TRP 35 CO 0.04 0.85 0.12 0.00 -1.03 0.00 0.00 178.44 178.42 2k5g h ALA 36 N 0.93 0.92 0.00 2.65 0.00 -0.34 0.24 119.26 123.65 2k5g h ALA 36 Ca 0.14 0.20 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 2k5g h ALA 36 Cb 0.49 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2k5g h ALA 36 CO 0.02 -0.39 -0.33 -1.49 0.00 0.00 0.00 179.25 177.06 2k5g h TRP 37 N 0.20 0.00 -0.10 0.00 -0.00 -1.58 0.21 115.95 114.67 2k5g h TRP 37 Ca 0.43 0.00 -0.18 0.00 -0.00 0.00 0.00 58.89 59.14 2k5g h TRP 37 Cb 0.75 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.91 2k5g h TRP 37 CO -0.32 0.33 -0.68 -0.07 -0.00 0.00 0.00 178.44 177.70 2k5g h LEU 38 N 0.00 0.51 0.02 -4.49 3.38 -0.64 -3.36 115.31 110.72 2k5g h LEU 38 Ca -0.00 -0.32 -0.34 0.00 0.09 0.00 0.00 57.88 57.31 2k5g h LEU 38 Cb 1.04 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 2k5g h LEU 38 CO 0.04 1.04 -1.89 0.00 0.09 0.00 0.00 178.44 177.73 2k5g n ALA 39 N -2.51 0.99 -1.66 1.53 0.00 -0.22 -4.90 120.51 113.73 2k5g n ALA 39 Ca -0.04 -0.75 -0.43 0.00 0.00 0.00 0.00 53.44 52.22 2k5g n ALA 39 Cb 0.68 -0.32 -0.03 0.00 0.00 0.00 0.00 19.45 19.78 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 -7.06 5.81 0.57 0.00 2.15 0.71 -4.78 116.67 114.08 2k5g s ASP 40 Ca -0.32 2.10 0.35 0.00 0.43 0.00 0.00 52.55 55.11 2k5g s ASP 40 Cb 0.09 -2.52 1.56 0.00 -0.30 0.00 0.00 42.92 41.75 2k5g s ASP 40 CO 0.59 -1.64 2.06 0.00 -0.17 0.00 0.00 175.17 176.00 2k5g h ALA 41 N 13.43 1.01 0.17 3.66 0.00 -1.89 0.71 119.26 136.35 2k5g h ALA 41 Ca -0.43 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2k5g h ALA 41 Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2k5g h ALA 41 CO 0.96 0.01 -0.08 0.22 0.00 0.00 0.00 179.25 180.36 2k5g h ASP 42 N 0.00 -0.19 0.36 0.00 1.82 -1.92 -2.97 116.42 113.52 2k5g h ASP 42 Ca -0.00 -0.34 -0.21 0.00 -0.39 0.00 0.00 57.03 56.09 2k5g h ASP 42 Cb 0.42 0.05 -0.00 0.00 0.68 0.00 0.00 39.33 40.48 2k5g h ASP 42 CO 0.00 0.34 -0.88 0.50 -1.61 0.00 0.00 179.24 177.59 2k5g h LYS 43 N -0.85 0.38 0.00 0.28 3.64 -1.89 -3.14 116.57 114.98 2k5g h LYS 43 Ca -0.02 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 2k5g h LYS 43 Cb 0.52 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2k5g h LYS 43 CO 0.04 1.05 0.00 0.07 -2.27 0.00 0.00 179.45 178.34 2k5g h ARG 44 N 0.22 0.00 0.00 1.90 0.11 -0.96 0.28 114.38 115.94 2k5g h ARG 44 Ca -0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.02 2k5g h ARG 44 Cb 1.50 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.58 2k5g h ARG 44 CO 0.15 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.22 2k5g n ALA 45 N -2.02 2.33 -0.66 0.08 0.00 -1.07 -0.01 120.51 119.15 2k5g n ALA 45 Ca -0.00 -0.14 0.07 0.00 0.00 0.00 0.00 53.44 53.37 2k5g n ALA 45 Cb 0.22 -1.39 0.19 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.12 2.70 0.00 0.00 5.12 1.00 -4.66 116.66 119.70 2k5g n ARG 46 Ca 0.15 -2.44 0.00 0.00 -1.93 0.00 0.00 57.85 53.64 2k5g n ARG 46 Cb 0.13 -1.54 0.00 0.00 -1.16 0.00 0.00 32.46 29.88 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 -0.32 0.00 0.00 -1.55 4.27 -1.05 -5.05 117.44 113.74 2k5g n TRP 47 Ca 0.16 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.77 2k5g n TRP 47 Cb 0.66 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.61 2k5g n TRP 47 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 2k5g n LEU 48 N -0.19 0.00 -3.61 5.67 -0.00 0.98 -4.86 117.00 115.00 2k5g n LEU 48 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.98 2k5g n LEU 48 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.41 2k5g n LEU 48 CO 0.00 -0.31 0.91 0.00 -0.00 0.00 0.00 177.39 177.99 2k5g s ALA 49 N -2.00 -2.00 -0.43 1.96 0.00 0.38 -1.14 121.76 118.53 2k5g s ALA 49 Ca 0.00 0.95 -0.19 0.00 0.00 0.00 0.00 51.96 52.72 2k5g s ALA 49 Cb 0.00 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.41 2k5g s ALA 49 CO 0.00 -0.83 0.54 0.20 0.00 0.00 0.00 175.76 175.67 2k5g s GLY 50 N -2.62 1.80 -0.29 0.00 0.00 -1.26 -2.60 107.32 102.36 2k5g s GLY 50 Ca 0.10 -1.37 -0.15 0.00 0.00 0.00 0.00 44.72 43.31 2k5g s GLY 50 CO -0.04 1.35 0.77 -0.32 0.00 0.00 0.00 173.10 174.86 2k5g s GLY 51 N 1.92 -0.48 0.52 0.20 0.00 -1.26 -2.04 107.32 106.18 2k5g s GLY 51 Ca 0.17 2.61 -0.02 0.00 0.00 0.00 0.00 44.72 47.48 2k5g s GLY 51 CO 0.16 2.61 0.78 -0.54 0.00 0.00 0.00 173.10 176.12 2k5g s GLU 52 N 1.84 2.98 -0.08 2.90 0.41 -1.26 -4.37 118.70 121.12 2k5g s GLU 52 Ca -0.09 -0.28 -0.04 0.00 -0.41 0.00 0.00 54.97 54.15 2k5g s GLU 52 Cb -0.06 -2.43 -0.04 0.00 -1.78 0.00 0.00 34.13 29.83 2k5g s GLU 52 CO -0.19 -0.48 0.10 -0.51 -0.49 0.00 0.00 175.26 173.70 2k5g s LEU 53 N -4.76 4.11 0.80 1.80 1.43 -1.26 -4.73 118.68 116.07 2k5g s LEU 53 Ca 0.51 0.33 -0.05 0.00 -1.03 0.00 0.00 54.13 53.89 2k5g s LEU 53 Cb -0.10 -2.10 0.15 0.00 0.03 0.00 0.00 46.19 44.17 2k5g s LEU 53 CO 0.41 0.36 1.10 -2.16 0.23 0.00 0.00 176.35 176.29 2k5g s PRO 54 N -1.21 1.32 0.00 1.29 0.04 -1.26 -5.04 135.00 130.15 2k5g s PRO 54 Ca 0.17 -0.97 -0.21 0.00 0.04 0.00 0.00 61.00 60.03 2k5g s PRO 54 Cb -0.12 -2.19 -0.20 0.00 0.04 0.00 0.00 34.50 32.03 2k5g s PRO 54 CO 0.07 -1.76 1.17 0.00 0.04 0.00 0.00 177.00 176.51 2k5g h ARG 55 N -0.87 0.34 -6.28 4.56 2.47 -2.00 -3.46 114.38 109.14 2k5g h ARG 55 Ca -0.38 -0.29 -0.57 0.00 -1.26 0.00 0.00 59.98 57.49 2k5g h ARG 55 Cb 1.25 0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 29.60 2k5g h ARG 55 CO 0.38 0.94 -0.04 -0.65 0.56 0.00 0.00 179.97 181.16 2k5g s GLN 56 N -3.57 4.14 -0.28 0.04 -0.21 -1.26 -5.05 119.66 113.48 2k5g s GLN 56 Ca -0.14 0.68 -0.19 0.00 0.02 0.00 0.00 55.36 55.73 2k5g s GLN 56 Cb 0.03 -3.13 -0.02 0.00 1.00 0.00 0.00 33.01 30.90 2k5g s GLN 56 CO 0.78 0.58 0.58 -1.25 -2.12 0.00 0.00 175.29 173.85 2k5g s PRO 57 N -1.40 3.99 0.00 2.91 0.04 -1.26 -3.90 135.00 135.37 2k5g s PRO 57 Ca 0.32 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.69 2k5g s PRO 57 Cb -0.18 -3.69 0.00 0.00 0.04 0.00 0.00 34.50 30.67 2k5g s PRO 57 CO 0.19 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 177.18 2k5g n GLY 58 N 4.39 1.81 3.91 0.56 0.00 0.14 -4.98 105.19 111.02 2k5g n GLY 58 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 2k5g n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k5g s GLN 59 N 0.00 3.61 0.29 1.61 -0.21 -1.25 -4.68 119.66 119.03 2k5g s GLN 59 Ca 0.00 0.08 -0.29 0.00 0.02 0.00 0.00 55.36 55.17 2k5g s GLN 59 Cb 0.00 -2.53 -0.09 0.00 1.00 0.00 0.00 33.01 31.38 2k5g s GLN 59 CO 0.00 0.05 1.09 0.95 -2.12 0.00 0.00 175.29 175.26 2k5g s THR 60 N -2.34 3.53 0.11 -0.19 -4.23 -1.26 -0.15 115.64 111.11 2k5g s THR 60 Ca 0.45 1.50 0.07 0.00 -1.18 0.00 0.00 61.69 62.53 2k5g s THR 60 Cb -0.10 -3.93 -0.04 0.00 1.34 0.00 0.00 72.50 69.76 2k5g s THR 60 CO 0.35 0.32 -0.07 0.72 -0.54 0.00 0.00 174.62 175.40 2k5g s PHE 61 N -1.22 2.78 -0.22 3.99 -0.71 0.18 -4.82 117.98 117.96 2k5g s PHE 61 Ca 0.46 -0.14 -0.05 0.00 -1.04 0.00 0.00 56.93 56.16 2k5g s PHE 61 Cb -0.31 -1.44 -0.02 0.00 -1.21 0.00 0.00 43.02 40.05 2k5g s PHE 61 CO 0.39 0.45 0.00 -1.21 -1.34 0.00 0.00 175.22 173.51 2k5g s GLU 62 N -2.33 3.55 0.18 1.99 2.02 -1.26 -2.50 118.70 120.34 2k5g s GLU 62 Ca 0.23 -0.54 -0.08 0.00 0.02 0.00 0.00 54.97 54.59 2k5g s GLU 62 Cb -0.11 -3.12 -0.01 0.00 0.10 0.00 0.00 34.13 30.99 2k5g s GLU 62 CO 0.15 -0.11 0.28 -0.48 0.02 0.00 0.00 175.26 175.12 2k5g s LEU 63 N 1.31 0.95 -0.41 1.80 -0.00 -1.25 -4.47 118.68 116.60 2k5g s LEU 63 Ca 0.04 -0.95 -0.22 0.00 -0.00 0.00 0.00 54.13 53.00 2k5g s LEU 63 Cb -0.15 1.13 0.02 0.00 -0.00 0.00 0.00 46.19 47.19 2k5g s LEU 63 CO 0.01 -0.91 0.72 -1.00 -0.00 0.00 0.00 176.35 175.16 2k5g s HIS 64 N -4.00 3.07 1.29 3.48 3.76 -0.86 -3.50 115.29 118.53 2k5g s HIS 64 Ca 0.20 0.22 -0.21 0.00 -0.15 0.00 0.00 55.06 55.12 2k5g s HIS 64 Cb 0.03 -3.42 0.32 0.00 1.11 0.00 0.00 32.58 30.62 2k5g s HIS 64 CO 0.02 -0.83 1.07 0.12 -0.85 0.00 0.00 174.74 174.27 2k5g s PHE 65 N 3.01 -0.07 0.03 1.40 5.36 0.11 -4.09 117.98 123.74 2k5g s PHE 65 Ca 0.27 0.43 0.00 0.00 -0.96 0.00 0.00 56.93 56.67 2k5g s PHE 65 Cb -0.13 -3.34 0.00 0.00 -0.34 0.00 0.00 43.02 39.21 2k5g s PHE 65 CO 0.19 -4.32 0.00 0.27 -1.46 0.00 0.00 175.22 169.90 2k5g n ASN 66 N -5.07 -0.52 -4.06 6.13 6.94 -1.26 -3.95 115.26 113.47 2k5g n ASN 66 Ca 0.14 0.07 -0.43 0.00 -0.02 0.00 0.00 54.58 54.35 2k5g n ASN 66 Cb 0.60 -0.30 0.01 0.00 -2.36 0.00 0.00 39.78 37.73 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 -2.45 3.25 0.00 -2.53 1.44 -1.25 -4.54 115.22 109.13 2k5g n HIS 67 Ca -0.00 -2.93 0.00 0.00 -2.01 0.00 0.00 57.72 52.77 2k5g n HIS 67 Cb 0.04 -1.68 0.00 0.00 0.12 0.00 0.00 29.99 28.47 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 2.97 0.00 -1.03 1.59 0.00 -0.29 -3.60 120.51 120.14 2k5g n ALA 68 Ca 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.75 2k5g n ALA 68 Cb 0.36 -0.08 -0.00 0.00 0.00 0.00 0.00 19.45 19.73 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 0.45 -0.02 0.36 0.00 0.00 -1.26 -4.81 120.51 115.24 2k5g n ALA 69 Ca 0.00 0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.59 2k5g n ALA 69 Cb 0.00 -1.04 0.34 0.00 0.00 0.00 0.00 19.45 18.76 2k5g n ALA 69 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2k5g h LEU 70 N 0.00 0.00 -9.18 0.00 -0.00 -1.90 -3.44 115.31 100.79 2k5g h LEU 70 Ca -0.02 0.00 -0.46 0.00 -0.00 0.00 0.00 57.88 57.39 2k5g h LEU 70 Cb 0.68 0.00 -0.14 0.00 -0.00 0.00 0.00 40.66 41.20 2k5g h LEU 70 CO 0.03 0.00 -0.57 0.42 -0.00 0.00 0.00 178.44 178.32 2k5g s THR 71 N -3.25 0.76 -0.90 0.15 -4.23 -1.26 -4.76 115.64 102.14 2k5g s THR 71 Ca 0.07 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 2k5g s THR 71 Cb 0.08 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.33 2k5g s THR 71 CO 0.61 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.69 2k5g n ALA 72 N -0.69 -0.13 0.23 3.99 0.00 -1.26 -4.90 120.51 117.75 2k5g n ALA 72 Ca -0.02 0.14 0.09 0.00 0.00 0.00 0.00 53.44 53.65 2k5g n ALA 72 Cb 0.66 -1.14 0.52 0.00 0.00 0.00 0.00 19.45 19.49 2k5g n ALA 72 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2k5g h GLU 73 N 0.03 0.00 -4.48 0.00 9.09 -1.86 -3.37 114.58 113.99 2k5g h GLU 73 Ca -0.17 0.00 -0.60 0.00 0.05 0.00 0.00 59.36 58.64 2k5g h GLU 73 Cb 0.57 0.00 -0.37 0.00 -1.65 0.00 0.00 28.75 27.30 2k5g h GLU 73 CO 0.25 0.23 -0.81 0.99 0.05 0.00 0.00 179.01 179.73 2k5g s THR 74 N -3.87 1.52 0.02 -1.06 2.01 -1.26 -5.12 115.64 107.88 2k5g s THR 74 Ca -0.01 -0.91 0.05 0.00 0.31 0.00 0.00 61.69 61.12 2k5g s THR 74 Cb 0.12 -1.61 -0.02 0.00 0.01 0.00 0.00 72.50 71.00 2k5g s THR 74 CO 0.64 0.17 -0.15 0.00 -0.69 0.00 0.00 174.62 174.59 2k5g s ALA 75 N 1.45 1.21 -0.13 7.40 0.00 -1.26 -5.06 121.76 125.38 2k5g s ALA 75 Ca -0.01 -0.74 -0.10 0.00 0.00 0.00 0.00 51.96 51.11 2k5g s ALA 75 Cb -0.16 -0.24 -0.08 0.00 0.00 0.00 0.00 23.12 22.64 2k5g s ALA 75 CO -0.08 0.26 0.17 -1.00 0.00 0.00 0.00 175.76 175.11 2k5g h PRO 76 N 5.31 0.00 -1.23 0.00 0.13 -1.98 -3.47 132.00 130.77 2k5g h PRO 76 Ca -0.37 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 64.93 2k5g h PRO 76 Cb 1.17 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.01 2k5g h PRO 76 CO 0.46 0.32 0.79 0.00 -0.23 0.00 0.00 178.00 179.33 2k5g s ALA 77 N -2.49 -2.10 0.00 -0.56 0.00 -1.26 -4.94 121.76 110.40 2k5g s ALA 77 Ca -0.09 1.76 0.00 0.00 0.00 0.00 0.00 51.96 53.63 2k5g s ALA 77 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.65 2k5g s ALA 77 CO 0.25 -0.20 0.00 -2.13 0.00 0.00 0.00 175.76 173.68 2k5g n ARG 78 N 1.19 -0.00 0.00 0.00 0.63 -1.26 -4.66 116.66 112.56 2k5g n ARG 78 Ca -0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 2k5g n ARG 78 Cb 0.58 -3.56 0.00 0.00 0.45 0.00 0.00 32.46 29.93 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 -2.00 0.00 0.00 -0.14 4.01 -1.26 -4.80 117.16 112.97 2k5g n TYR 79 Ca 0.00 -0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 2k5g n TYR 79 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2k5g n TYR 79 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2k5g n ALA 80 N -0.04 0.00 -0.41 -0.72 0.00 -1.26 -4.77 120.51 113.31 2k5g n ALA 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k5g n ALA 80 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 2k5g n ALA 80 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2k5g n GLN 81 N -0.15 0.00 -0.77 0.00 -0.06 -1.26 -2.12 117.38 113.02 2k5g n GLN 81 Ca 0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 57.00 54.92 2k5g n GLN 81 Cb 0.00 0.00 0.19 0.00 -4.06 0.00 0.00 30.24 26.37 2k5g n GLN 81 CO 0.00 0.00 0.00 2.48 -0.20 0.00 0.00 177.06 179.34 2k5g n TYR 82 N 0.00 1.89 0.96 3.69 0.18 -1.26 -4.04 117.16 118.58 2k5g n TYR 82 Ca 0.00 -1.09 0.10 0.00 1.88 0.00 0.00 57.90 58.79 2k5g n TYR 82 Cb 0.00 -0.61 0.51 0.00 -0.38 0.00 0.00 39.34 38.87 2k5g n TYR 82 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 2k5g n ASP 83 N -0.24 0.00 -4.52 9.48 2.03 -0.90 -4.59 116.55 117.81 2k5g n ASP 83 Ca 0.33 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.33 2k5g n ASP 83 Cb 1.17 -0.29 -0.12 0.00 -0.72 0.00 0.00 41.12 41.16 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 -2.58 2.33 -0.06 -0.67 0.52 -1.26 -5.08 118.95 112.16 2k5g s ARG 84 Ca 0.19 -0.84 -0.31 0.00 -0.52 0.00 0.00 55.73 54.26 2k5g s ARG 84 Cb 0.14 -2.35 -0.09 0.00 0.52 0.00 0.00 34.95 33.17 2k5g s ARG 84 CO 0.31 0.57 2.02 -0.35 0.02 0.00 0.00 175.30 177.88 2k5g n PRO 85 N 1.61 2.48 -3.51 3.54 -0.04 -1.26 -4.92 135.00 132.90 2k5g n PRO 85 Ca -0.16 0.87 -0.38 0.00 -0.04 0.00 0.00 63.50 63.79 2k5g n PRO 85 Cb 0.52 -2.97 -0.09 0.00 -0.04 0.00 0.00 33.50 30.92 2k5g n PRO 85 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2k5g s ILE 86 N 5.35 5.26 -0.51 0.52 -1.09 -1.25 -4.96 121.20 124.52 2k5g s ILE 86 Ca 0.93 0.39 -0.21 0.00 -2.23 0.00 0.00 60.65 59.54 2k5g s ILE 86 Cb -0.48 -3.61 0.05 0.00 -1.58 0.00 0.00 42.46 36.85 2k5g s ILE 86 CO 0.43 0.25 0.71 -0.69 -1.23 0.00 0.00 174.94 174.41 2k5g s VAL 87 N 1.57 4.74 -0.07 2.92 1.01 -1.26 0.09 120.40 129.40 2k5g s VAL 87 Ca 0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 2k5g s VAL 87 Cb -0.15 -4.36 0.04 0.00 0.00 0.00 0.00 36.38 31.91 2k5g s VAL 87 CO 0.08 -0.88 0.13 0.00 0.00 0.00 0.00 175.10 174.44 2k5g s ALA 88 N 2.99 -0.10 0.11 5.51 0.00 -1.23 -5.00 121.76 124.05 2k5g s ALA 88 Ca 0.20 0.50 0.04 0.00 0.00 0.00 0.00 51.96 52.70 2k5g s ALA 88 Cb -0.17 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 2k5g s ALA 88 CO 0.14 -0.45 0.11 -0.98 0.00 0.00 0.00 175.76 174.58 2k5g s ARG 89 N 2.01 2.93 0.19 0.00 1.70 -1.26 -3.89 118.95 120.63 2k5g s ARG 89 Ca 0.01 -0.74 -0.23 0.00 -0.47 0.00 0.00 55.73 54.30 2k5g s ARG 89 Cb -0.12 -2.72 0.06 0.00 -0.57 0.00 0.00 34.95 31.60 2k5g s ARG 89 CO -0.05 0.54 0.63 -3.38 -1.08 0.00 0.00 175.30 171.96 2k5g s HIS 90 N -1.54 -0.45 0.21 5.89 -3.43 -1.04 -4.90 115.29 110.02 2k5g s HIS 90 Ca 0.30 0.18 -0.32 0.00 -0.80 0.00 0.00 55.06 54.43 2k5g s HIS 90 Cb -0.11 0.60 -0.12 0.00 -1.43 0.00 0.00 32.58 31.52 2k5g s HIS 90 CO 0.23 -0.94 1.69 0.99 -2.00 0.00 0.00 174.74 174.70 2k5g s THR 91 N -3.79 2.11 -0.14 -5.38 2.01 -1.26 -0.65 115.64 108.55 2k5g s THR 91 Ca 0.04 0.08 -0.20 0.00 0.31 0.00 0.00 61.69 61.91 2k5g s THR 91 Cb -0.02 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.40 2k5g s THR 91 CO -0.08 0.01 0.59 -0.22 -0.69 0.00 0.00 174.62 174.22 2k5g s LEU 92 N 0.96 4.23 0.00 4.42 2.96 0.78 -1.48 118.68 130.56 2k5g s LEU 92 Ca 0.73 0.90 0.00 0.00 -0.22 0.00 0.00 54.13 55.54 2k5g s LEU 92 Cb -0.49 -2.85 0.00 0.00 0.50 0.00 0.00 46.19 43.35 2k5g s LEU 92 CO 0.34 -0.13 0.00 0.18 -1.32 0.00 0.00 176.35 175.42 2k5g n LEU 93 N 4.24 0.00 -4.57 -0.68 7.99 0.67 0.27 117.00 124.92 2k5g n LEU 93 Ca -0.04 0.00 -0.45 0.00 -0.01 0.00 0.00 56.01 55.51 2k5g n LEU 93 Cb 0.51 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.78 2k5g n LEU 93 CO 0.44 0.00 1.79 -1.14 -1.51 0.00 0.00 177.39 176.98 2k5g n ARG 94 N 0.00 1.84 -3.92 3.23 0.63 -1.26 -4.47 116.66 112.71 2k5g n ARG 94 Ca 0.00 0.54 -0.30 0.00 -0.92 0.00 0.00 57.85 57.16 2k5g n ARG 94 Cb 0.00 -2.99 -0.15 0.00 0.45 0.00 0.00 32.46 29.77 2k5g n ARG 94 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2k5g s GLU 96 N 1.33 2.41 0.05 0.00 2.02 0.24 -4.98 118.70 119.77 2k5g s GLU 96 Ca 0.00 -2.76 -0.30 0.00 0.02 0.00 0.00 54.97 51.93 2k5g s GLU 96 Cb -0.19 -3.56 -0.04 0.00 0.10 0.00 0.00 34.13 30.44 2k5g s GLU 96 CO -0.10 -1.17 1.02 -2.14 0.02 0.00 0.00 175.26 172.89 2k5g s PRO 97 N -0.47 4.57 -0.30 0.39 0.02 -1.26 -0.41 135.00 137.53 2k5g s PRO 97 Ca 0.19 1.51 -0.11 0.00 0.02 0.00 0.00 61.00 62.61 2k5g s PRO 97 Cb -0.19 -3.41 -0.03 0.00 0.02 0.00 0.00 34.50 30.89 2k5g s PRO 97 CO -0.05 -0.02 0.19 -1.25 -0.33 0.00 0.00 177.00 175.54 2k5g s PRO 98 N 0.71 3.71 0.07 5.54 0.04 -1.26 -5.03 135.00 138.78 2k5g s PRO 98 Ca 0.52 -0.48 0.00 0.00 0.04 0.00 0.00 61.00 61.08 2k5g s PRO 98 Cb -0.24 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 30.65 2k5g s PRO 98 CO 0.29 -0.29 0.00 -2.13 0.04 0.00 0.00 177.00 174.91 2k5g n ARG 99 N 5.05 0.00 -4.58 4.56 3.00 0.45 -4.98 116.66 120.16 2k5g n ARG 99 Ca -0.14 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.49 2k5g n ARG 99 Cb 0.51 0.00 -0.16 0.00 0.00 0.00 0.00 32.46 32.81 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 -1.32 1.05 -0.03 5.15 1.01 -0.92 -0.85 120.40 124.49 2k5g s VAL 100 Ca 0.00 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.48 2k5g s VAL 100 Cb 0.00 -0.91 0.01 0.00 0.00 0.00 0.00 36.38 35.48 2k5g s VAL 100 CO 0.00 0.31 -0.05 -1.48 0.00 0.00 0.00 175.10 173.89 2k5g s LEU 101 N 0.07 1.56 0.07 3.92 0.05 -0.36 0.82 118.68 124.83 2k5g s LEU 101 Ca -0.02 -0.11 0.04 0.00 0.05 0.00 0.00 54.13 54.09 2k5g s LEU 101 Cb -0.09 -0.37 -0.03 0.00 -2.05 0.00 0.00 46.19 43.65 2k5g s LEU 101 CO 0.01 -0.01 -0.11 0.00 -0.55 0.00 0.00 176.35 175.69 2k5g s ALA 102 N 0.53 0.99 0.35 1.48 0.00 0.62 -0.09 121.76 125.64 2k5g s ALA 102 Ca -0.07 -1.01 -0.11 0.00 0.00 0.00 0.00 51.96 50.77 2k5g s ALA 102 Cb -0.10 -0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.04 2k5g s ALA 102 CO -0.00 0.04 0.65 -0.48 0.00 0.00 0.00 175.76 175.96 2k5g s LEU 103 N -1.98 0.35 0.35 0.00 2.34 -0.00 -0.24 118.68 119.51 2k5g s LEU 103 Ca -0.01 -1.19 0.08 0.00 0.06 0.00 0.00 54.13 53.07 2k5g s LEU 103 Cb -0.07 2.27 -0.05 0.00 -0.56 0.00 0.00 46.19 47.78 2k5g s LEU 103 CO 0.01 -1.47 0.09 0.42 -1.06 0.00 0.00 176.35 174.33 2k5g s THR 104 N -2.88 2.71 0.00 5.48 -4.23 -0.55 0.82 115.64 116.99 2k5g s THR 104 Ca 0.21 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 2k5g s THR 104 Cb -0.03 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.91 2k5g s THR 104 CO 0.14 -0.16 0.00 1.87 -0.54 0.00 0.00 174.62 175.93 2k5g n TRP 105 N -1.07 -0.66 -1.70 3.99 -0.00 0.25 -4.66 117.44 113.59 2k5g n TRP 105 Ca -0.03 0.00 -0.43 0.00 -0.00 0.00 0.00 57.50 57.04 2k5g n TRP 105 Cb 0.62 0.00 -0.01 0.00 -0.00 0.00 0.00 31.31 31.92 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 5.00 0.71 2.94 5.87 0.00 -1.26 -4.64 105.19 113.80 2k5g n GLY 106 Ca 0.00 0.36 -0.15 0.00 0.00 0.00 0.00 46.02 46.23 2k5g n GLY 106 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k5g s GLY 107 N -0.14 -0.05 0.00 -0.02 0.00 -1.26 -4.13 107.32 101.72 2k5g s GLY 107 Ca 0.58 0.78 0.00 0.00 0.00 0.00 0.00 44.72 46.08 2k5g s GLY 107 CO 0.59 1.80 0.00 0.61 0.00 0.00 0.00 173.10 176.10 2k5g n GLY 108 N 5.27 0.46 3.29 0.20 0.00 -1.26 -4.96 105.19 108.19 2k5g n GLY 108 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.11 1.58 0.00 4.61 0.00 -1.26 -4.91 121.76 118.67 2k5g s ALA 109 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.14 2k5g s ALA 109 Cb 0.00 1.14 0.00 0.00 0.00 0.00 0.00 23.12 24.26 2k5g s ALA 109 CO 0.00 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.67 2k5g n GLY 110 N -0.42 1.76 3.67 0.00 0.00 -1.26 -4.86 105.19 104.08 2k5g n GLY 110 Ca 0.01 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 2k5g n GLY 110 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k5g s GLU 111 N 0.00 2.42 0.48 1.61 2.56 -1.26 -5.11 118.70 119.39 2k5g s GLU 111 Ca 0.00 -1.13 -0.20 0.00 0.00 0.00 0.00 54.97 53.64 2k5g s GLU 111 Cb 0.00 -2.35 -0.09 0.00 2.00 0.00 0.00 34.13 33.69 2k5g s GLU 111 CO 0.00 0.45 1.01 0.00 -0.56 0.00 0.00 175.26 176.16 2k5g s ALA 112 N -1.79 2.92 -0.04 6.30 0.00 -1.26 -4.58 121.76 123.31 2k5g s ALA 112 Ca 0.28 0.52 -0.31 0.00 0.00 0.00 0.00 51.96 52.45 2k5g s ALA 112 Cb -0.09 -3.22 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 2k5g s ALA 112 CO 0.19 -0.21 2.00 -2.30 0.00 0.00 0.00 175.76 175.44 2k5g n PRO 113 N -0.95 2.54 -1.74 0.00 -0.02 -1.26 -4.91 135.00 128.66 2k5g n PRO 113 Ca 0.08 0.90 -0.42 0.00 -2.02 0.00 0.00 63.50 62.05 2k5g n PRO 113 Cb 0.53 -2.95 -0.01 0.00 -0.02 0.00 0.00 33.50 31.05 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 7.98 3.70 -4.85 2.55 7.64 -1.26 -4.61 113.62 124.77 2k5g n SER 114 Ca 0.23 1.16 -0.21 0.00 1.01 0.00 0.00 58.87 61.05 2k5g n SER 114 Cb 0.38 -1.58 -0.04 0.00 -1.01 0.00 0.00 64.21 61.97 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 -0.77 2.62 -0.08 1.43 -1.05 0.11 0.88 118.70 121.84 2k5g s GLU 115 Ca 0.63 -1.41 0.01 0.00 -0.15 0.00 0.00 54.97 54.04 2k5g s GLU 115 Cb -0.51 -2.41 0.02 0.00 -0.44 0.00 0.00 34.13 30.79 2k5g s GLU 115 CO 0.51 -0.01 -0.08 0.08 0.95 0.00 0.00 175.26 176.72 2k5g s VAL 116 N -2.38 0.93 -0.25 1.83 1.01 0.24 -0.53 120.40 121.25 2k5g s VAL 116 Ca 0.43 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 62.11 2k5g s VAL 116 Cb -0.04 -0.92 0.03 0.00 0.00 0.00 0.00 36.38 35.45 2k5g s VAL 116 CO 0.27 0.33 -0.07 -0.22 0.00 0.00 0.00 175.10 175.40 2k5g s LEU 117 N 1.20 3.17 -0.30 3.92 1.98 0.21 -0.82 118.68 128.05 2k5g s LEU 117 Ca -0.05 -0.94 -0.13 0.00 -2.89 0.00 0.00 54.13 50.12 2k5g s LEU 117 Cb -0.14 -1.64 -0.03 0.00 0.66 0.00 0.00 46.19 45.04 2k5g s LEU 117 CO -0.02 -0.13 0.28 -0.36 -1.89 0.00 0.00 176.35 174.23 2k5g s PHE 118 N 1.29 3.23 -0.27 5.38 0.08 0.87 -0.49 117.98 128.07 2k5g s PHE 118 Ca -0.01 0.11 0.02 0.00 0.12 0.00 0.00 56.93 57.17 2k5g s PHE 118 Cb -0.17 -2.51 0.06 0.00 -0.57 0.00 0.00 43.02 39.83 2k5g s PHE 118 CO -0.05 -0.27 -0.09 -1.21 -0.10 0.00 0.00 175.22 173.51 2k5g s GLU 119 N 1.89 2.33 -0.23 0.44 2.02 -0.84 -1.22 118.70 123.10 2k5g s GLU 119 Ca 0.10 -1.30 -0.08 0.00 0.02 0.00 0.00 54.97 53.71 2k5g s GLU 119 Cb -0.16 -2.94 -0.04 0.00 0.10 0.00 0.00 34.13 31.08 2k5g s GLU 119 CO 0.11 -0.56 0.10 -0.51 0.02 0.00 0.00 175.26 174.41 2k5g s LEU 120 N 1.15 3.77 0.01 1.80 1.43 -0.03 -1.24 118.68 125.58 2k5g s LEU 120 Ca -0.07 -0.02 0.08 0.00 -1.03 0.00 0.00 54.13 53.09 2k5g s LEU 120 Cb -0.20 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 2k5g s LEU 120 CO -0.04 0.06 -0.23 -0.44 0.23 0.00 0.00 176.35 175.93 2k5g s SER 121 N 1.05 3.36 -0.01 2.29 0.01 -0.17 -4.72 113.70 115.51 2k5g s SER 121 Ca 0.05 -0.46 -0.08 0.00 1.31 0.00 0.00 55.95 56.77 2k5g s SER 121 Cb -0.14 -0.44 -0.05 0.00 0.21 0.00 0.00 66.02 65.60 2k5g s SER 121 CO 0.04 0.29 0.28 -1.83 0.41 0.00 0.00 173.24 172.43 2k5g s GLU 122 N -0.97 3.62 -0.29 12.44 -1.05 -1.26 -0.19 118.70 131.00 2k5g s GLU 122 Ca 0.12 0.02 0.13 0.00 -0.15 0.00 0.00 54.97 55.08 2k5g s GLU 122 Cb -0.10 -3.12 0.48 0.00 -0.44 0.00 0.00 34.13 30.95 2k5g s GLU 122 CO 0.01 0.67 1.15 0.00 0.95 0.00 0.00 175.26 178.04 2k5g n ALA 123 N 1.39 4.05 0.00 -0.84 0.00 0.21 -4.88 120.51 120.43 2k5g n ALA 123 Ca -0.13 -3.41 0.00 0.00 0.00 0.00 0.00 53.44 49.90 2k5g n ALA 123 Cb 0.53 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.41 2k5g n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5g n GLY 124 N -0.63 1.91 0.61 0.00 0.00 -1.26 -3.20 105.19 102.61 2k5g n GLY 124 Ca 0.28 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 46.23 2k5g n GLY 124 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k5g n GLU 125 N 0.00 1.57 -4.41 1.61 1.02 -1.26 -4.20 120.64 114.98 2k5g n GLU 125 Ca 0.00 -1.22 -0.20 0.00 -0.02 0.00 0.00 57.16 55.72 2k5g n GLU 125 Cb 0.00 -1.47 -0.10 0.00 -0.02 0.00 0.00 31.44 29.84 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 -2.27 1.60 0.02 3.49 -0.21 -1.20 -1.61 119.66 119.48 2k5g s GLN 126 Ca 0.25 -1.90 0.00 0.00 0.02 0.00 0.00 55.36 53.73 2k5g s GLN 126 Cb 0.19 -0.57 -0.01 0.00 1.00 0.00 0.00 33.01 33.62 2k5g s GLN 126 CO 0.45 -0.28 -0.03 0.54 -2.12 0.00 0.00 175.29 173.85 2k5g s VAL 127 N -3.47 0.16 -0.16 1.09 0.11 -0.06 0.63 120.40 118.70 2k5g s VAL 127 Ca 0.35 -0.65 -0.04 0.00 -2.93 0.00 0.00 61.98 58.72 2k5g s VAL 127 Cb 0.07 -0.24 -0.03 0.00 -1.53 0.00 0.00 36.38 34.65 2k5g s VAL 127 CO 0.15 -0.31 -0.04 0.00 -3.33 0.00 0.00 175.10 171.57 2k5g s ARG 128 N -1.00 3.64 -0.17 1.54 1.70 0.73 0.43 118.95 125.82 2k5g s ARG 128 Ca -0.10 -0.53 -0.04 0.00 -0.47 0.00 0.00 55.73 54.59 2k5g s ARG 128 Cb -0.07 -2.92 -0.02 0.00 -0.57 0.00 0.00 34.95 31.37 2k5g s ARG 128 CO -0.01 0.20 -0.04 -1.17 -1.08 0.00 0.00 175.30 173.21 2k5g s LEU 129 N 0.47 3.15 -0.31 -1.89 0.20 0.80 -1.00 118.68 120.11 2k5g s LEU 129 Ca -0.04 -0.20 -0.04 0.00 0.69 0.00 0.00 54.13 54.54 2k5g s LEU 129 Cb -0.14 -1.77 0.04 0.00 -0.43 0.00 0.00 46.19 43.89 2k5g s LEU 129 CO 0.03 0.12 0.04 -0.69 -0.29 0.00 0.00 176.35 175.55 2k5g s VAL 130 N 0.65 3.36 -0.47 1.68 1.01 -0.37 -0.47 120.40 125.79 2k5g s VAL 130 Ca -0.02 -1.17 -0.22 0.00 0.00 0.00 0.00 61.98 60.57 2k5g s VAL 130 Cb -0.14 -2.87 0.03 0.00 0.00 0.00 0.00 36.38 33.40 2k5g s VAL 130 CO 0.02 -0.07 0.72 -0.22 0.00 0.00 0.00 175.10 175.55 2k5g s LEU 131 N 1.34 4.45 -0.14 3.92 0.20 0.88 -1.98 118.68 127.35 2k5g s LEU 131 Ca -0.02 -0.37 -0.03 0.00 0.69 0.00 0.00 54.13 54.40 2k5g s LEU 131 Cb -0.19 -2.76 -0.03 0.00 -0.43 0.00 0.00 46.19 42.78 2k5g s LEU 131 CO 0.00 -0.90 -0.04 -0.89 -0.29 0.00 0.00 176.35 174.23 2k5g s THR 132 N 3.08 3.87 -0.23 3.68 2.01 0.35 -1.41 115.64 127.00 2k5g s THR 132 Ca 0.25 -0.37 0.00 0.00 0.31 0.00 0.00 61.69 61.87 2k5g s THR 132 Cb -0.14 -2.68 0.06 0.00 0.01 0.00 0.00 72.50 69.75 2k5g s THR 132 CO 0.19 0.52 -0.04 -2.28 -0.69 0.00 0.00 174.62 172.32 2k5g s HIS 133 N 0.13 2.14 0.30 4.92 2.46 0.22 0.68 115.29 126.15 2k5g s HIS 133 Ca -0.01 -1.58 0.06 0.00 0.47 0.00 0.00 55.06 54.00 2k5g s HIS 133 Cb -0.14 -1.48 -0.02 0.00 -0.13 0.00 0.00 32.58 30.82 2k5g s HIS 133 CO 0.03 -0.74 0.40 0.99 -2.47 0.00 0.00 174.74 172.95 2k5g s THR 134 N 1.48 4.44 -0.84 0.89 2.01 0.31 -2.81 115.64 121.11 2k5g s THR 134 Ca -0.05 -1.06 -0.02 0.00 0.31 0.00 0.00 61.69 60.88 2k5g s THR 134 Cb -0.18 -3.54 0.00 0.00 0.01 0.00 0.00 72.50 68.79 2k5g s THR 134 CO -0.07 -0.23 0.24 0.54 -0.69 0.00 0.00 174.62 174.41 2k5g n ARG 135 N -1.51 -2.13 -3.36 4.92 1.74 -1.26 -0.71 116.66 114.35 2k5g n ARG 135 Ca -0.04 0.49 -0.46 0.00 -0.77 0.00 0.00 57.85 57.07 2k5g n ARG 135 Cb 0.58 -4.49 -0.03 0.00 -1.02 0.00 0.00 32.46 27.50 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 -3.57 6.54 0.27 0.55 1.43 -1.26 -4.38 118.68 118.26 2k5g s LEU 136 Ca 0.12 -2.57 0.23 0.00 -1.03 0.00 0.00 54.13 50.88 2k5g s LEU 136 Cb -0.05 -2.18 0.19 0.00 0.03 0.00 0.00 46.19 44.18 2k5g s LEU 136 CO 0.15 -0.60 1.30 0.00 0.23 0.00 0.00 176.35 177.42 2k5g h ALA 137 N 7.88 0.69 -3.15 4.21 0.00 -1.94 -3.41 119.26 123.55 2k5g h ALA 137 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 2k5g h ALA 137 Cb 1.04 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.61 2k5g h ALA 137 CO 0.79 0.00 -0.71 0.34 0.00 0.00 0.00 179.25 179.67 2k5g s ASP 138 N -5.44 0.26 0.31 0.00 2.15 -1.26 -5.03 116.67 107.64 2k5g s ASP 138 Ca 0.03 -0.41 0.06 0.00 0.43 0.00 0.00 52.55 52.67 2k5g s ASP 138 Cb 0.09 0.07 0.73 0.00 -0.30 0.00 0.00 42.92 43.51 2k5g s ASP 138 CO 0.73 -0.23 1.79 -0.09 -0.17 0.00 0.00 175.17 177.20 2k5g h ARG 139 N 4.94 0.76 0.00 4.34 9.65 -1.97 0.86 114.38 132.96 2k5g h ARG 139 Ca -0.31 -0.05 -0.06 0.00 -1.10 0.00 0.00 59.98 58.47 2k5g h ARG 139 Cb 1.21 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 29.61 2k5g h ARG 139 CO 0.43 0.50 -0.29 0.00 2.80 0.00 0.00 179.97 183.41 2k5g h ALA 140 N 1.63 1.48 -0.04 2.80 0.00 -1.97 -0.07 119.26 123.09 2k5g h ALA 140 Ca 0.56 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2k5g h ALA 140 Cb 0.85 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2k5g h ALA 140 CO -0.35 0.36 -0.02 0.00 0.00 0.00 0.00 179.25 179.25 2k5g h ALA 141 N 1.71 0.06 -0.78 0.00 0.00 -1.25 0.26 119.26 119.25 2k5g h ALA 141 Ca -0.00 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 54.80 2k5g h ALA 141 Cb 0.53 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 2k5g h ALA 141 CO 0.04 -0.22 0.40 0.52 0.00 0.00 0.00 179.25 179.99 2k5g h MET 142 N -0.30 0.62 0.00 0.00 2.07 -1.13 0.15 114.93 116.35 2k5g h MET 142 Ca 0.01 -0.04 -0.04 0.00 -2.07 0.00 0.00 59.70 57.56 2k5g h MET 142 Cb 0.43 -0.14 -0.01 0.00 -1.87 0.00 0.00 31.60 30.02 2k5g h MET 142 CO 0.01 0.41 -0.21 -0.07 1.07 0.00 0.00 176.91 178.12 2k5g h LEU 143 N 0.64 0.00 -0.03 1.22 3.38 -0.68 0.24 115.31 120.08 2k5g h LEU 143 Ca 0.40 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.35 2k5g h LEU 143 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2k5g h LEU 143 CO -0.30 0.21 -0.07 -0.78 0.09 0.00 0.00 178.44 177.59 2k5g h ASP 144 N 0.00 0.11 1.52 -0.43 1.82 0.23 -3.21 116.42 116.46 2k5g h ASP 144 Ca -0.00 -0.59 0.00 0.00 -0.39 0.00 0.00 57.03 56.05 2k5g h ASP 144 Cb 0.47 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.45 2k5g h ASP 144 CO 0.03 0.68 -0.02 -0.37 -1.61 0.00 0.00 179.24 177.95 2k5g h VAL 145 N -0.45 0.00 -1.00 2.25 -1.51 -1.11 -3.29 116.25 111.14 2k5g h VAL 145 Ca -0.00 -0.54 0.21 0.00 -1.23 0.00 0.00 66.70 65.14 2k5g h VAL 145 Cb 0.67 1.53 -0.10 0.00 -2.13 0.00 0.00 31.29 31.25 2k5g h VAL 145 CO 0.02 0.00 0.62 0.00 -1.23 0.00 0.00 177.57 176.97 2k5g h ALA 146 N 2.46 1.80 0.00 5.19 0.00 -0.51 -3.10 119.26 125.10 2k5g h ALA 146 Ca 0.00 0.08 -0.30 0.00 0.00 0.00 0.00 54.91 54.69 2k5g h ALA 146 Cb 0.77 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2k5g h ALA 146 CO 0.00 -0.18 1.31 0.41 0.00 0.00 0.00 179.25 180.79 2k5g n GLY 147 N -1.36 2.97 0.00 0.00 0.00 -1.24 -3.16 105.19 102.39 2k5g n GLY 147 Ca 0.24 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 3.11 0.23 0.00 -0.02 0.00 -1.18 -4.96 105.19 102.37 2k5g n GLY 148 Ca 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.17 1.61 7.02 -1.19 -4.14 117.44 120.57 2k5g n TRP 149 Ca 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.46 2k5g n TRP 149 Cb 0.00 -0.33 0.04 0.00 -2.42 0.00 0.00 31.31 28.60 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 -0.31 -0.86 -5.99 2.07 -1.87 -0.40 115.15 107.80 2k5g h HIS 150 Ca 0.00 0.05 0.12 0.00 -2.85 0.00 0.00 60.37 57.69 2k5g h HIS 150 Cb 0.00 0.22 -0.08 0.00 2.57 0.00 0.00 27.41 30.12 2k5g h HIS 150 CO 0.01 -0.24 0.48 0.00 -3.07 0.00 0.00 177.93 175.11 2k5g h ALA 151 N 1.51 1.26 0.00 6.11 0.00 -1.84 -0.93 119.26 125.37 2k5g h ALA 151 Ca 0.26 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2k5g h ALA 151 Cb 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2k5g h ALA 151 CO -0.55 0.03 0.00 1.12 0.00 0.00 0.00 179.25 179.85 2k5g h HIS 152 N 0.74 0.00 0.00 0.00 2.07 -1.22 -1.21 115.15 115.53 2k5g h HIS 152 Ca 0.44 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.94 2k5g h HIS 152 Cb 0.50 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.48 2k5g h HIS 152 CO -0.07 0.00 -0.07 -0.07 -3.07 0.00 0.00 177.93 174.65 2k5g h LEU 153 N 0.00 0.00 0.10 6.12 3.38 -1.13 0.26 115.31 124.04 2k5g h LEU 153 Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 2k5g h LEU 153 Cb 0.53 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.30 2k5g h LEU 153 CO 0.00 0.07 -1.25 0.00 0.09 0.00 0.00 178.44 177.36 2k5g h ALA 154 N 1.93 0.05 -0.49 1.53 0.00 -1.32 -3.04 119.26 117.92 2k5g h ALA 154 Ca -0.00 -0.81 -0.08 0.00 0.00 0.00 0.00 54.91 54.02 2k5g h ALA 154 Cb 0.26 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2k5g h ALA 154 CO 0.01 0.78 0.00 0.28 0.00 0.00 0.00 179.25 180.32 2k5g h VAL 155 N 0.20 1.26 0.07 0.00 2.07 -1.25 -1.35 116.25 117.25 2k5g h VAL 155 Ca -0.17 -1.07 0.02 0.00 0.82 0.00 0.00 66.70 66.31 2k5g h VAL 155 Cb 1.93 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 32.64 2k5g h VAL 155 CO 0.23 0.37 -0.25 -0.07 0.02 0.00 0.00 177.57 177.87 2k5g h LEU 156 N 0.72 -0.73 -0.55 2.57 3.38 -0.62 0.22 115.31 120.30 2k5g h LEU 156 Ca 0.14 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.23 2k5g h LEU 156 Cb 0.51 0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 2k5g h LEU 156 CO 0.02 -0.33 0.32 0.00 0.09 0.00 0.00 178.44 178.54 2k5g h ALA 157 N 0.35 0.71 0.40 1.53 0.00 -1.44 0.14 119.26 120.94 2k5g h ALA 157 Ca 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2k5g h ALA 157 Cb 0.48 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2k5g h ALA 157 CO -0.18 0.02 -0.23 0.78 0.00 0.00 0.00 179.25 179.64 2k5g h GLY 158 N 0.63 -0.62 0.91 0.00 0.00 -0.81 -0.46 103.07 102.71 2k5g h GLY 158 Ca 0.23 0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.77 2k5g h GLY 158 CO -0.11 -0.24 0.06 0.50 0.00 0.00 0.00 176.54 176.75 2k5g h LYS 159 N -0.60 0.57 -0.03 4.80 1.79 -0.36 0.67 116.57 123.41 2k5g h LYS 159 Ca -0.05 -0.15 -0.02 0.00 -2.18 0.00 0.00 60.65 58.25 2k5g h LYS 159 Cb 0.49 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 31.06 2k5g h LYS 159 CO 0.05 0.64 -0.08 -0.07 -1.08 0.00 0.00 179.45 178.91 2k5g h LEU 160 N 0.40 0.04 -0.16 2.94 3.38 -0.70 -0.20 115.31 121.01 2k5g h LEU 160 Ca 0.11 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2k5g h LEU 160 Cb 0.34 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2k5g h LEU 160 CO 0.01 0.13 -0.18 0.00 0.09 0.00 0.00 178.44 178.49 2k5g n ALA 161 N -2.52 2.85 -0.80 1.53 0.00 -0.19 -4.65 120.51 116.74 2k5g n ALA 161 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2k5g n ALA 161 Cb 0.17 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.32 2k5g n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5g n GLY 162 N 1.37 0.56 3.94 0.00 0.00 -0.09 0.02 105.19 110.99 2k5g n GLY 162 Ca 0.11 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 2k5g n GLY 162 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k5g s GLN 163 N -0.84 2.48 0.31 1.61 -0.21 0.22 -4.87 119.66 118.36 2k5g s GLN 163 Ca 0.00 -0.43 -0.27 0.00 0.02 0.00 0.00 55.36 54.68 2k5g s GLN 163 Cb 0.00 -2.32 -0.09 0.00 1.00 0.00 0.00 33.01 31.59 2k5g s GLN 163 CO 0.00 -0.91 0.98 0.00 -2.12 0.00 0.00 175.29 173.24 2k5g s ALA 164 N -2.99 3.25 0.54 6.09 0.00 -1.26 -3.96 121.76 123.43 2k5g s ALA 164 Ca 0.57 0.63 -0.17 0.00 0.00 0.00 0.00 51.96 52.99 2k5g s ALA 164 Cb -0.11 -3.22 -0.06 0.00 0.00 0.00 0.00 23.12 19.73 2k5g s ALA 164 CO 0.42 0.08 1.03 -1.25 0.00 0.00 0.00 175.76 176.04 2k5g s PRO 165 N -1.83 3.62 1.01 0.00 0.04 -1.26 -4.81 135.00 131.78 2k5g s PRO 165 Ca 0.48 1.15 -0.12 0.00 0.04 0.00 0.00 61.00 62.56 2k5g s PRO 165 Cb -0.23 -2.08 0.19 0.00 0.04 0.00 0.00 34.50 32.43 2k5g s PRO 165 CO 0.29 -0.56 1.08 -2.14 0.04 0.00 0.00 177.00 175.71 2k5g s PRO 166 N -3.89 0.36 0.66 0.56 0.02 -1.26 -4.91 135.00 126.54 2k5g s PRO 166 Ca 0.63 0.71 0.42 0.00 0.02 0.00 0.00 61.00 62.77 2k5g s PRO 166 Cb -0.14 -1.71 2.29 0.00 0.02 0.00 0.00 34.50 34.95 2k5g s PRO 166 CO 0.31 -2.83 2.31 -1.00 -0.33 0.00 0.00 177.00 175.46 2k5g h PRO 167 N -1.97 0.00 0.00 5.54 0.13 -2.00 -3.46 132.00 130.25 2k5g h PRO 167 Ca -0.54 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2k5g h PRO 167 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2k5g h PRO 167 CO 0.54 0.00 0.00 0.34 -0.23 0.00 0.00 178.00 178.65 2k5g n PHE 168 N -3.13 0.00 -0.00 1.56 -0.00 -1.26 -4.43 117.46 110.20 2k5g n PHE 168 Ca -0.03 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.31 2k5g n PHE 168 Cb 0.12 0.00 -0.05 0.00 -0.00 0.00 0.00 39.48 39.55 2k5g n PHE 168 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 176.76 179.11 2k5g h TRP 169 N 0.00 0.10 0.20 -5.13 -0.00 -1.98 0.21 115.95 109.35 2k5g h TRP 169 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 58.89 2k5g h TRP 169 Cb 0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.16 29.12 2k5g h TRP 169 CO 0.00 0.06 -0.14 1.15 -0.00 0.00 0.00 178.44 179.51 2k5g h THR 170 N 0.12 0.71 -0.64 2.65 2.02 -1.99 -1.64 112.91 114.13 2k5g h THR 170 Ca 0.04 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.27 2k5g h THR 170 Cb 0.00 0.71 -0.05 0.00 -1.74 0.00 0.00 68.15 67.07 2k5g h THR 170 CO -0.03 0.00 0.36 0.74 0.37 0.00 0.00 175.52 176.96 2k5g h THR 171 N -0.34 0.98 0.63 3.16 2.02 -1.83 -0.33 112.91 117.20 2k5g h THR 171 Ca -0.02 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 2k5g h THR 171 Cb 0.29 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 2k5g h THR 171 CO 0.01 0.12 -0.33 0.25 0.37 0.00 0.00 175.52 175.94 2k5g h LEU 172 N 0.67 -0.81 -0.75 2.58 5.85 -0.38 -1.56 115.31 120.91 2k5g h LEU 172 Ca 0.28 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.98 2k5g h LEU 172 Cb 0.15 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 2k5g h LEU 172 CO -0.17 -0.54 0.24 0.00 -0.34 0.00 0.00 178.44 177.64 2k5g h ALA 173 N -1.50 0.98 0.10 1.25 0.00 -1.24 -0.50 119.26 118.35 2k5g h ALA 173 Ca -0.09 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2k5g h ALA 173 Cb 0.69 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2k5g h ALA 173 CO 0.12 0.65 -0.05 0.37 0.00 0.00 0.00 179.25 180.35 2k5g h GLN 174 N 1.11 -0.13 -0.50 0.00 -0.00 -1.08 0.36 115.11 114.88 2k5g h GLN 174 Ca 0.24 0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.86 2k5g h GLN 174 Cb 0.29 0.03 -0.02 0.00 0.00 0.00 0.00 27.48 27.78 2k5g h GLN 174 CO -0.01 -0.00 0.14 0.00 0.00 0.00 0.00 178.83 178.96 2k5g h ALA 175 N 0.67 1.32 -0.30 3.38 0.00 -1.12 -0.88 119.26 122.33 2k5g h ALA 175 Ca -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2k5g h ALA 175 Cb 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2k5g h ALA 175 CO 0.02 0.49 0.11 0.93 0.00 0.00 0.00 179.25 180.80 2k5g h GLU 176 N 0.72 0.45 -0.90 0.00 5.08 -0.69 -1.34 114.58 117.91 2k5g h GLU 176 Ca 0.17 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2k5g h GLU 176 Cb 0.24 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 2k5g h GLU 176 CO -0.01 0.48 0.52 1.96 -1.00 0.00 0.00 179.01 180.97 2k5g h GLN 177 N 0.32 1.23 -0.12 2.33 1.08 0.27 0.50 115.11 120.71 2k5g h GLN 177 Ca 0.10 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 2k5g h GLN 177 Cb 0.21 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 2k5g h GLN 177 CO -0.01 0.87 0.03 0.22 -0.95 0.00 0.00 178.83 178.99 2k5g h ASP 178 N 1.24 0.19 -0.16 1.46 3.58 -0.99 -2.24 116.42 119.50 2k5g h ASP 178 Ca 0.32 -0.24 -0.09 0.00 0.42 0.00 0.00 57.03 57.44 2k5g h ASP 178 Cb -0.03 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 40.96 2k5g h ASP 178 CO -0.06 0.38 -0.19 1.88 -2.88 0.00 0.00 179.24 178.38 2k5g h TYR 179 N -0.01 0.64 0.00 0.28 -1.99 -0.88 -2.42 116.97 112.58 2k5g h TYR 179 Ca 0.04 -0.12 -0.03 0.00 2.00 0.00 0.00 58.73 60.62 2k5g h TYR 179 Cb 0.27 -0.16 -0.00 0.00 2.00 0.00 0.00 36.73 38.83 2k5g h TYR 179 CO 0.01 0.73 -0.13 1.49 -0.00 0.00 0.00 178.16 180.26 2k5g h GLU 180 N 0.52 0.00 0.00 4.88 4.22 0.10 -3.33 114.58 120.96 2k5g h GLU 180 Ca 0.08 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.52 2k5g h GLU 180 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2k5g h GLU 180 CO 0.04 0.13 0.00 0.94 -2.18 0.00 0.00 179.01 177.95 2k5g n GLN 181 N -3.73 0.00 -3.12 1.92 -0.06 -0.85 -5.01 117.38 106.52 2k5g n GLN 181 Ca -0.02 0.00 -0.09 0.00 -2.00 0.00 0.00 57.00 54.89 2k5g n GLN 181 Cb 0.24 -0.42 0.01 0.00 -4.06 0.00 0.00 30.24 26.01 2k5g n GLN 181 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 2k5g n ARG 182 N -0.35 -1.55 -2.69 3.69 0.00 -1.17 -4.78 116.66 109.82 2k5g n ARG 182 Ca 0.00 1.49 -0.42 0.00 -0.00 0.00 0.00 57.85 58.92 2k5g n ARG 182 Cb 0.00 -2.64 -0.03 0.00 0.00 0.00 0.00 32.46 29.79 2k5g n ARG 182 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2k5g s LEU 183 N -1.61 4.00 -0.32 6.15 0.20 -1.26 -4.77 118.68 121.07 2k5g s LEU 183 Ca 0.11 -1.55 0.04 0.00 0.69 0.00 0.00 54.13 53.42 2k5g s LEU 183 Cb -0.02 -2.51 0.17 0.00 -0.43 0.00 0.00 46.19 43.41 2k5g s LEU 183 CO 0.44 -1.39 0.49 -0.22 -0.29 0.00 0.00 176.35 175.38 2k5g s LEU 184 N 4.28 -1.01 0.14 -0.68 2.96 -1.26 -5.14 118.68 117.97 2k5g s LEU 184 Ca 0.40 -0.50 -0.31 0.00 -0.22 0.00 0.00 54.13 53.51 2k5g s LEU 184 Cb -0.03 1.40 -0.09 0.00 0.50 0.00 0.00 46.19 47.98 2k5g s LEU 184 CO -0.07 -0.30 1.41 -1.83 -1.32 0.00 0.00 176.35 174.24 2k5g s GLU 185 N 2.33 4.31 -0.08 1.98 -1.05 -1.26 -5.01 118.70 119.92 2k5g s GLU 185 Ca 0.12 2.13 -0.03 0.00 -0.15 0.00 0.00 54.97 57.04 2k5g s GLU 185 Cb -0.11 -3.22 0.04 0.00 -0.44 0.00 0.00 34.13 30.41 2k5g s GLU 185 CO -0.21 -0.43 0.16 -1.58 0.95 0.00 0.00 175.26 174.14 2k5g s HIS 186 N 0.87 -0.18 -0.63 4.83 2.46 -1.26 -5.07 115.29 116.30 2k5g s HIS 186 Ca 0.64 0.55 -0.24 0.00 0.47 0.00 0.00 55.06 56.48 2k5g s HIS 186 Cb -0.38 -0.14 -0.15 0.00 -0.13 0.00 0.00 32.58 31.78 2k5g s HIS 186 CO 0.33 -0.21 1.84 0.72 -2.47 0.00 0.00 174.74 174.94 2k5g n HIS 187 N 4.61 0.50 -2.46 3.88 8.25 -1.26 -4.83 115.22 123.90 2k5g n HIS 187 Ca -0.19 0.33 -0.42 0.00 -0.26 0.00 0.00 57.72 57.19 2k5g n HIS 187 Cb 0.51 -1.69 -0.03 0.00 1.12 0.00 0.00 29.99 29.90 2k5g n HIS 187 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2k5g s HIS 188 N 5.95 3.45 -0.05 4.41 -3.43 -1.26 -5.02 115.29 119.33 2k5g s HIS 188 Ca 0.95 1.35 -0.01 0.00 -0.80 0.00 0.00 55.06 56.54 2k5g s HIS 188 Cb -0.94 -3.38 0.03 0.00 -1.43 0.00 0.00 32.58 26.86 2k5g s HIS 188 CO 0.38 -1.12 0.02 -1.58 -2.00 0.00 0.00 174.74 170.44 2k5g s HIS 189 N 1.13 0.42 0.57 0.38 2.46 -1.26 -5.14 115.29 113.86 2k5g s HIS 189 Ca 0.58 -0.01 0.09 0.00 0.47 0.00 0.00 55.06 56.19 2k5g s HIS 189 Cb -0.28 -0.64 0.08 0.00 -0.13 0.00 0.00 32.58 31.62 2k5g s HIS 189 CO 0.29 -0.25 0.76 -1.01 -2.47 0.00 0.00 174.74 172.06 2k5g s HIS 190 N 1.86 1.44 -2.22 3.88 3.76 -1.26 -5.23 115.29 117.51 2k5g s HIS 190 Ca 0.02 -0.73 0.30 0.00 -0.15 0.00 0.00 55.06 54.51 2k5g s HIS 190 Cb -0.12 -2.19 1.53 0.00 1.11 0.00 0.00 32.58 32.90 2k5g s HIS 190 CO -0.04 -1.10 2.01 1.58 -0.85 0.00 0.00 174.74 176.34