#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 2.85 -0.30 2.03 2.01 -1.26 -5.06 115.64 115.91 2k5g s THR 2 Ca 0.00 -1.15 -0.02 0.00 0.31 0.00 0.00 61.69 60.83 2k5g s THR 2 Cb 0.00 -2.50 0.12 0.00 0.01 0.00 0.00 72.50 70.13 2k5g s THR 2 CO 0.00 0.11 0.21 -0.44 -0.69 0.00 0.00 174.62 173.81 2k5g s SER 3 N 1.29 2.69 0.07 3.53 0.01 -1.26 -5.13 113.70 114.91 2k5g s SER 3 Ca -0.02 -1.22 -0.31 0.00 1.31 0.00 0.00 55.95 55.71 2k5g s SER 3 Cb -0.18 -0.00 -0.07 0.00 0.21 0.00 0.00 66.02 65.98 2k5g s SER 3 CO -0.04 -0.40 1.32 -2.16 0.41 0.00 0.00 173.24 172.38 2k5g s PRO 4 N 2.04 4.35 0.00 12.44 0.04 -1.26 -4.69 135.00 147.92 2k5g s PRO 4 Ca 0.11 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.09 2k5g s PRO 4 Cb -0.16 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.04 2k5g s PRO 4 CO -0.29 -0.40 0.00 -1.13 0.04 0.00 0.00 177.00 175.22 2k5g n SER 5 N 4.21 0.00 -4.54 6.66 3.41 -1.26 -5.04 113.62 117.06 2k5g n SER 5 Ca 0.11 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.29 2k5g n SER 5 Cb 0.44 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.39 2k5g n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2k5g s SER 6 N -0.89 6.89 -0.51 4.04 0.01 -1.26 -4.82 113.70 117.16 2k5g s SER 6 Ca 0.00 -2.57 0.04 0.00 1.31 0.00 0.00 55.95 54.73 2k5g s SER 6 Cb 0.00 -2.53 0.16 0.00 0.21 0.00 0.00 66.02 63.86 2k5g s SER 6 CO 0.00 -1.06 0.36 0.00 0.41 0.00 0.00 173.24 172.95 2k5g s ALA 7 N 3.48 2.32 -0.31 1.44 0.00 -1.26 -2.90 121.76 124.54 2k5g s ALA 7 Ca 0.50 -2.89 0.03 0.00 0.00 0.00 0.00 51.96 49.60 2k5g s ALA 7 Cb 0.02 -1.85 0.09 0.00 0.00 0.00 0.00 23.12 21.38 2k5g s ALA 7 CO 0.05 -2.04 -0.00 -0.06 0.00 0.00 0.00 175.76 173.71 2k5g s PHE 8 N -0.29 3.47 -0.25 0.00 0.08 -1.26 -5.09 117.98 114.64 2k5g s PHE 8 Ca 0.26 -2.69 -0.29 0.00 0.12 0.00 0.00 56.93 54.33 2k5g s PHE 8 Cb -0.07 -2.51 -0.02 0.00 -0.57 0.00 0.00 43.02 39.85 2k5g s PHE 8 CO -0.13 -0.92 1.52 -2.14 -0.10 0.00 0.00 175.22 173.46 2k5g s PRO 9 N 1.01 3.82 -0.45 0.24 0.02 -1.26 -4.90 135.00 133.49 2k5g s PRO 9 Ca 0.04 1.53 -0.24 0.00 0.02 0.00 0.00 61.00 62.34 2k5g s PRO 9 Cb -0.19 -3.99 0.02 0.00 0.02 0.00 0.00 34.50 30.36 2k5g s PRO 9 CO -0.08 -1.26 0.87 -0.51 -0.33 0.00 0.00 177.00 175.69 2k5g s ASP 10 N 3.84 6.48 0.33 2.53 1.01 -1.26 -5.00 116.67 124.60 2k5g s ASP 10 Ca 0.67 0.08 -0.06 0.00 0.71 0.00 0.00 52.55 53.95 2k5g s ASP 10 Cb -0.22 -2.42 0.01 0.00 1.01 0.00 0.00 42.92 41.29 2k5g s ASP 10 CO 0.28 -0.97 0.50 -0.83 0.21 0.00 0.00 175.17 174.36 2k5g s GLY 11 N 2.17 1.18 0.24 0.21 0.00 -1.26 -4.95 107.32 104.91 2k5g s GLY 11 Ca 0.34 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 43.75 2k5g s GLY 11 CO 0.24 -0.86 0.00 1.42 0.00 0.00 0.00 173.10 173.90 2k5g n HIS 12 N -0.52 -1.61 -2.59 1.90 8.25 -1.26 -5.05 115.22 114.34 2k5g n HIS 12 Ca -0.01 0.88 0.00 0.00 -0.26 0.00 0.00 57.72 58.34 2k5g n HIS 12 Cb 0.62 -1.56 0.00 0.00 1.12 0.00 0.00 29.99 30.17 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 -2.44 -2.18 2.78 -1.41 0.00 -1.26 -4.93 105.19 95.75 2k5g n GLY 13 Ca -0.02 -1.50 -0.04 0.00 0.00 0.00 0.00 46.02 44.46 2k5g n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5g n ALA 14 N -0.27 -0.06 -2.80 4.61 0.00 -1.26 -4.90 120.51 115.84 2k5g n ALA 14 Ca 0.00 0.06 -0.43 0.00 0.00 0.00 0.00 53.44 53.07 2k5g n ALA 14 Cb 0.00 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.04 2k5g n ALA 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k5g s ARG 15 N -2.07 3.72 -0.13 0.00 3.52 -1.26 -4.94 118.95 117.79 2k5g s ARG 15 Ca 0.00 -1.75 -0.00 0.00 -0.13 0.00 0.00 55.73 53.84 2k5g s ARG 15 Cb 0.00 -5.12 0.03 0.00 -1.56 0.00 0.00 34.95 28.29 2k5g s ARG 15 CO 0.00 -1.94 -0.07 -0.51 -0.81 0.00 0.00 175.30 171.97 2k5g s LEU 16 N 3.27 1.29 0.17 -0.88 1.02 -1.26 -5.06 118.68 117.23 2k5g s LEU 16 Ca 0.40 -0.39 0.00 0.00 0.02 0.00 0.00 54.13 54.16 2k5g s LEU 16 Cb -0.02 -0.86 0.00 0.00 0.02 0.00 0.00 46.19 45.32 2k5g s LEU 16 CO -0.06 -0.13 0.00 -0.67 0.02 0.00 0.00 176.35 175.50 2k5g n ASP 17 N 4.92 -5.35 -3.60 2.29 2.03 -1.26 -4.98 116.55 110.60 2k5g n ASP 17 Ca -0.12 0.61 -0.27 0.00 0.52 0.00 0.00 54.79 55.52 2k5g n ASP 17 Cb 0.49 -1.75 -0.10 0.00 -0.72 0.00 0.00 41.12 39.05 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 -0.02 3.30 0.00 -1.67 0.00 -1.26 -4.78 120.51 116.07 2k5g n ALA 18 Ca 0.00 -4.09 0.00 0.00 0.00 0.00 0.00 53.44 49.35 2k5g n ALA 18 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 1.92 0.00 -2.17 0.00 6.02 -1.26 -5.07 117.38 116.81 2k5g n GLN 19 Ca 0.25 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 57.10 2k5g n GLN 19 Cb 0.41 -0.86 0.05 0.00 1.02 0.00 0.00 30.24 30.87 2k5g n GLN 19 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2k5g n SER 20 N -2.31 1.24 -4.64 1.08 7.64 -1.26 -4.97 113.62 110.39 2k5g n SER 20 Ca 0.00 -1.93 -0.37 0.00 1.01 0.00 0.00 58.87 57.58 2k5g n SER 20 Cb 0.39 -0.31 -0.10 0.00 -1.01 0.00 0.00 64.21 63.18 2k5g n SER 20 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2k5g s ILE 21 N -1.49 5.33 -0.07 0.44 -1.09 -0.26 -4.96 121.20 119.10 2k5g s ILE 21 Ca 0.40 0.24 -0.03 0.00 -2.23 0.00 0.00 60.65 59.04 2k5g s ILE 21 Cb -0.03 -3.53 0.04 0.00 -1.58 0.00 0.00 42.46 37.36 2k5g s ILE 21 CO 0.26 0.31 0.13 -0.13 -1.23 0.00 0.00 174.94 174.27 2k5g s ARG 22 N 1.29 0.02 -0.19 2.79 3.00 -1.25 0.11 118.95 124.73 2k5g s ARG 22 Ca 0.09 0.45 -0.12 0.00 0.00 0.00 0.00 55.73 56.14 2k5g s ARG 22 Cb -0.14 -0.29 0.06 0.00 0.00 0.00 0.00 34.95 34.58 2k5g s ARG 22 CO 0.07 -0.26 0.47 -0.59 0.00 0.00 0.00 175.30 174.98 2k5g s PHE 23 N 1.87 -0.65 0.10 -0.53 -0.12 -0.84 -4.97 117.98 112.86 2k5g s PHE 23 Ca -0.01 1.41 -0.15 0.00 -0.05 0.00 0.00 56.93 58.13 2k5g s PHE 23 Cb -0.12 0.29 -0.07 0.00 -0.63 0.00 0.00 43.02 42.50 2k5g s PHE 23 CO -0.05 -0.34 0.51 -1.21 -0.05 0.00 0.00 175.22 174.08 2k5g s GLU 24 N 1.09 3.98 0.09 1.99 8.01 -1.26 -0.86 118.70 131.73 2k5g s GLU 24 Ca -0.07 0.48 0.05 0.00 0.01 0.00 0.00 54.97 55.45 2k5g s GLU 24 Cb -0.06 -3.03 -0.03 0.00 -4.31 0.00 0.00 34.13 26.69 2k5g s GLU 24 CO -0.10 0.55 -0.14 0.50 0.01 0.00 0.00 175.26 176.08 2k5g s ARG 25 N -1.68 0.88 -0.18 1.61 6.06 0.10 -4.97 118.95 120.76 2k5g s ARG 25 Ca 0.34 -1.05 -0.04 0.00 -2.50 0.00 0.00 55.73 52.47 2k5g s ARG 25 Cb -0.16 -0.83 -0.03 0.00 0.06 0.00 0.00 34.95 34.00 2k5g s ARG 25 CO 0.18 0.17 -0.02 -1.17 -2.50 0.00 0.00 175.30 171.97 2k5g s LEU 26 N -1.99 3.25 0.25 -0.88 1.98 -1.26 -0.17 118.68 119.86 2k5g s LEU 26 Ca 0.02 -0.17 0.11 0.00 -2.89 0.00 0.00 54.13 51.20 2k5g s LEU 26 Cb -0.08 -1.81 -0.05 0.00 0.66 0.00 0.00 46.19 44.91 2k5g s LEU 26 CO 0.02 0.11 -0.21 -0.76 -1.89 0.00 0.00 176.35 173.62 2k5g s LEU 27 N 0.74 2.54 0.33 -0.68 2.01 0.14 -4.91 118.68 118.84 2k5g s LEU 27 Ca -0.01 -0.98 -0.13 0.00 0.01 0.00 0.00 54.13 53.03 2k5g s LEU 27 Cb -0.14 -1.07 -0.08 0.00 0.01 0.00 0.00 46.19 44.91 2k5g s LEU 27 CO 0.02 0.04 0.71 -2.16 1.01 0.00 0.00 176.35 175.98 2k5g s PRO 28 N -3.26 3.92 0.00 1.29 0.04 -1.26 0.60 135.00 136.32 2k5g s PRO 28 Ca 0.26 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.86 2k5g s PRO 28 Cb -0.05 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 32.03 2k5g s PRO 28 CO 0.13 0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.71 2k5g n GLY 29 N -0.55 2.95 0.24 0.56 0.00 0.07 -4.46 105.19 104.00 2k5g n GLY 29 Ca 0.03 -2.05 -0.14 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.50 0.00 1.61 0.13 -1.82 -1.67 132.00 129.74 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 0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.24 2k5g h PRO 30 CO 0.00 -0.21 0.00 1.51 -0.23 0.00 0.00 178.00 179.07 2k5g n ILE 31 N -5.21 0.00 0.23 -3.56 3.06 -1.26 -3.79 119.36 108.83 2k5g n ILE 31 Ca -0.10 0.00 0.09 0.00 -2.50 0.00 0.00 62.75 60.24 2k5g n ILE 31 Cb 0.28 0.00 0.57 0.00 0.54 0.00 0.00 39.64 41.03 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 0.00 0.38 9.51 5.08 -1.92 -3.04 114.58 124.59 2k5g h GLU 32 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2k5g h GLU 32 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2k5g h GLU 32 CO 0.00 0.21 -0.18 -0.09 -1.00 0.00 0.00 179.01 177.94 2k5g h ARG 33 N 0.00 -0.50 -0.28 2.33 9.65 -1.92 -2.44 114.38 121.22 2k5g h ARG 33 Ca -0.00 0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.87 2k5g h ARG 33 Cb 0.48 0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.16 2k5g h ARG 33 CO 0.03 -0.30 -0.02 0.28 2.80 0.00 0.00 179.97 182.76 2k5g h VAL 34 N -0.57 1.18 -0.58 0.20 2.07 -1.76 -2.44 116.25 114.36 2k5g h VAL 34 Ca -0.05 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 2k5g h VAL 34 Cb 0.42 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 2k5g h VAL 34 CO 0.09 0.25 0.20 -0.25 0.02 0.00 0.00 177.57 177.87 2k5g h TRP 35 N 0.42 0.88 -0.73 1.57 2.91 -1.39 -2.93 115.95 116.67 2k5g h TRP 35 Ca 0.09 -0.06 0.13 0.00 1.13 0.00 0.00 58.89 60.18 2k5g h TRP 35 Cb 0.31 -0.26 -0.09 0.00 -0.51 0.00 0.00 29.16 28.60 2k5g h TRP 35 CO 0.01 0.70 0.28 0.00 -1.03 0.00 0.00 178.44 178.40 2k5g h ALA 36 N 1.37 1.00 0.00 2.65 0.00 -0.96 0.29 119.26 123.62 2k5g h ALA 36 Ca 0.20 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 2k5g h ALA 36 Cb 0.22 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2k5g h ALA 36 CO -0.01 -0.21 -0.26 -1.49 0.00 0.00 0.00 179.25 177.28 2k5g h TRP 37 N 0.43 0.00 0.01 0.00 6.55 -1.63 0.32 115.95 121.63 2k5g h TRP 37 Ca 0.39 0.00 -0.21 0.00 0.95 0.00 0.00 58.89 60.03 2k5g h TRP 37 Cb 0.58 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 28.86 2k5g h TRP 37 CO -0.17 0.26 -0.97 -0.07 -1.05 0.00 0.00 178.44 176.43 2k5g h LEU 38 N 0.00 0.03 0.00 -4.49 3.38 -0.52 -3.40 115.31 110.31 2k5g h LEU 38 Ca -0.00 -0.03 -0.34 0.00 0.09 0.00 0.00 57.88 57.60 2k5g h LEU 38 Cb 0.60 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 2k5g h LEU 38 CO 0.03 0.98 -1.92 0.00 0.09 0.00 0.00 178.44 177.63 2k5g n ALA 39 N -2.37 1.00 -1.80 1.53 0.00 0.18 -4.92 120.51 114.13 2k5g n ALA 39 Ca -0.01 -0.84 -0.43 0.00 0.00 0.00 0.00 53.44 52.17 2k5g n ALA 39 Cb 0.91 -0.12 -0.03 0.00 0.00 0.00 0.00 19.45 20.21 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 -7.11 6.09 0.52 0.00 2.15 0.11 -4.50 116.67 113.93 2k5g s ASP 40 Ca -0.34 2.05 0.31 0.00 0.43 0.00 0.00 52.55 55.00 2k5g s ASP 40 Cb 0.11 -2.52 1.13 0.00 -0.30 0.00 0.00 42.92 41.33 2k5g s ASP 40 CO 0.51 -1.43 1.90 0.00 -0.17 0.00 0.00 175.17 175.98 2k5g h ALA 41 N 12.14 1.00 0.32 3.66 0.00 -1.88 -0.29 119.26 134.21 2k5g h ALA 41 Ca -0.41 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 2k5g h ALA 41 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2k5g h ALA 41 CO 0.97 0.03 -0.16 0.22 0.00 0.00 0.00 179.25 180.31 2k5g h ASP 42 N 0.00 -0.37 0.66 0.00 3.58 -1.96 0.15 116.42 118.49 2k5g h ASP 42 Ca -0.00 -0.12 -0.18 0.00 0.42 0.00 0.00 57.03 57.15 2k5g h ASP 42 Cb 0.63 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.76 2k5g h ASP 42 CO 0.00 -0.09 -0.83 0.07 -2.88 0.00 0.00 179.24 175.51 2k5g h LYS 43 N -0.65 0.11 -0.77 0.28 2.10 -1.93 -3.26 116.57 112.45 2k5g h LYS 43 Ca -0.04 -0.12 -0.00 0.00 -2.00 0.00 0.00 60.65 58.48 2k5g h LYS 43 Cb 0.46 0.03 -0.04 0.00 -0.90 0.00 0.00 32.23 31.79 2k5g h LYS 43 CO 0.07 0.88 0.47 -0.09 -2.00 0.00 0.00 179.45 178.78 2k5g h ARG 44 N 0.06 1.04 0.00 0.07 2.43 -0.90 -0.17 114.38 116.91 2k5g h ARG 44 Ca -0.03 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 2k5g h ARG 44 Cb 1.45 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 2k5g h ARG 44 CO 0.12 0.72 0.00 0.00 -1.51 0.00 0.00 179.97 179.30 2k5g n ALA 45 N -2.42 1.87 -0.04 2.80 0.00 0.03 0.29 120.51 123.04 2k5g n ALA 45 Ca 0.08 -0.07 -0.05 0.00 0.00 0.00 0.00 53.44 53.40 2k5g n ALA 45 Cb 0.06 -1.21 -0.05 0.00 0.00 0.00 0.00 19.45 18.26 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 -1.13 1.47 -0.00 0.00 1.74 -0.13 -4.48 116.66 114.13 2k5g n ARG 46 Ca 0.08 0.03 0.11 0.00 -0.77 0.00 0.00 57.85 57.29 2k5g n ARG 46 Cb 0.07 -1.18 -0.14 0.00 -1.02 0.00 0.00 32.46 30.19 2k5g n ARG 46 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 2k5g n TRP 47 N -2.52 0.07 0.00 -1.55 4.27 -0.85 -4.25 117.44 112.61 2k5g n TRP 47 Ca -0.13 0.02 0.00 0.00 -3.89 0.00 0.00 57.50 53.49 2k5g n TRP 47 Cb 0.69 -0.44 0.00 0.00 -1.36 0.00 0.00 31.31 30.20 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 -2.14 0.00 -3.63 5.67 -0.00 -0.11 -5.00 117.00 111.78 2k5g n LEU 48 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.96 2k5g n LEU 48 Cb 0.52 0.02 -0.04 0.00 -0.00 0.00 0.00 43.42 43.92 2k5g n LEU 48 CO 0.45 -0.49 1.12 0.00 -0.00 0.00 0.00 177.39 178.47 2k5g s ALA 49 N -1.96 -2.11 -0.31 1.96 0.00 0.15 -4.14 121.76 115.34 2k5g s ALA 49 Ca 0.00 1.85 -0.27 0.00 0.00 0.00 0.00 51.96 53.54 2k5g s ALA 49 Cb 0.00 -1.21 0.01 0.00 0.00 0.00 0.00 23.12 21.92 2k5g s ALA 49 CO 0.00 -0.31 0.96 0.20 0.00 0.00 0.00 175.76 176.61 2k5g s GLY 50 N -1.23 1.62 -0.30 0.00 0.00 0.15 -3.04 107.32 104.51 2k5g s GLY 50 Ca 0.08 -0.21 -0.08 0.00 0.00 0.00 0.00 44.72 44.52 2k5g s GLY 50 CO -0.06 2.06 0.93 -0.32 0.00 0.00 0.00 173.10 175.72 2k5g s GLY 51 N 1.64 -0.89 0.59 0.20 0.00 -1.26 0.62 107.32 108.22 2k5g s GLY 51 Ca 0.40 2.02 -0.10 0.00 0.00 0.00 0.00 44.72 47.04 2k5g s GLY 51 CO 0.14 3.93 0.98 -1.83 0.00 0.00 0.00 173.10 176.33 2k5g s GLU 52 N 2.93 3.59 0.28 2.90 -1.05 -1.26 -4.66 118.70 121.43 2k5g s GLU 52 Ca 0.18 0.65 -0.25 0.00 -0.15 0.00 0.00 54.97 55.40 2k5g s GLU 52 Cb -0.06 -2.14 -0.09 0.00 -0.44 0.00 0.00 34.13 31.40 2k5g s GLU 52 CO -0.21 -0.50 0.89 -0.51 0.95 0.00 0.00 175.26 175.88 2k5g s LEU 53 N -5.09 4.39 0.00 1.83 1.43 -1.26 -4.90 118.68 115.09 2k5g s LEU 53 Ca 0.54 1.75 0.00 0.00 -1.03 0.00 0.00 54.13 55.39 2k5g s LEU 53 Cb -0.11 -3.83 0.00 0.00 0.03 0.00 0.00 46.19 42.28 2k5g s LEU 53 CO 0.52 -0.00 0.00 -2.65 0.23 0.00 0.00 176.35 174.45 2k5g n PRO 54 N 0.78 0.04 0.00 1.29 -0.02 -1.26 -5.01 135.00 130.82 2k5g n PRO 54 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 2k5g n PRO 54 Cb 0.50 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.84 2k5g n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k5g h ARG 55 N 0.00 0.08 -6.64 -0.52 2.47 -1.99 -3.47 114.38 104.31 2k5g h ARG 55 Ca 0.00 -0.13 -0.68 0.00 -1.26 0.00 0.00 59.98 57.91 2k5g h ARG 55 Cb 0.00 0.05 -0.20 0.00 -1.65 0.00 0.00 29.97 28.17 2k5g h ARG 55 CO 0.00 0.75 -0.80 -0.65 0.56 0.00 0.00 179.97 179.83 2k5g s GLN 56 N -2.61 1.94 -0.28 0.04 -0.21 -1.26 -5.10 119.66 112.18 2k5g s GLN 56 Ca -0.07 -1.08 -0.28 0.00 0.02 0.00 0.00 55.36 53.95 2k5g s GLN 56 Cb 0.08 -2.16 0.01 0.00 1.00 0.00 0.00 33.01 31.94 2k5g s GLN 56 CO 0.82 0.51 1.00 -1.25 -2.12 0.00 0.00 175.29 174.25 2k5g s PRO 57 N -1.81 4.12 0.00 2.91 0.04 -1.26 -3.08 135.00 135.92 2k5g s PRO 57 Ca 0.16 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.28 2k5g s PRO 57 Cb -0.11 -3.70 0.00 0.00 0.04 0.00 0.00 34.50 30.74 2k5g s PRO 57 CO 0.08 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 176.78 2k5g n GLY 58 N 3.74 0.85 3.88 0.56 0.00 -1.14 -4.94 105.19 108.14 2k5g n GLY 58 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.41 3.73 0.02 1.61 -0.21 -1.18 -4.53 119.66 118.69 2k5g s GLN 59 Ca 0.00 0.37 -0.22 0.00 0.02 0.00 0.00 55.36 55.53 2k5g s GLN 59 Cb 0.00 -2.43 -0.06 0.00 1.00 0.00 0.00 33.01 31.53 2k5g s GLN 59 CO 0.00 -0.02 0.65 0.95 -2.12 0.00 0.00 175.29 174.76 2k5g s THR 60 N -2.37 4.82 0.07 -0.19 -4.23 -1.26 -1.34 115.64 111.14 2k5g s THR 60 Ca 0.50 1.38 0.02 0.00 -1.18 0.00 0.00 61.69 62.41 2k5g s THR 60 Cb -0.10 -4.00 -0.03 0.00 1.34 0.00 0.00 72.50 69.71 2k5g s THR 60 CO 0.33 0.41 -0.08 0.72 -0.54 0.00 0.00 174.62 175.46 2k5g s PHE 61 N -0.23 0.83 -0.12 3.99 -0.71 -0.41 -4.87 117.98 116.46 2k5g s PHE 61 Ca 0.33 -0.71 -0.07 0.00 -1.04 0.00 0.00 56.93 55.45 2k5g s PHE 61 Cb -0.19 -0.48 -0.04 0.00 -1.21 0.00 0.00 43.02 41.10 2k5g s PHE 61 CO 0.19 -0.10 0.13 -1.83 -1.34 0.00 0.00 175.22 172.27 2k5g s GLU 62 N -2.75 3.44 -0.16 1.99 1.03 -1.26 -1.41 118.70 119.57 2k5g s GLU 62 Ca 0.02 -0.16 -0.05 0.00 0.03 0.00 0.00 54.97 54.81 2k5g s GLU 62 Cb -0.02 -3.17 -0.03 0.00 -0.80 0.00 0.00 34.13 30.11 2k5g s GLU 62 CO -0.02 0.75 0.01 -0.51 -1.33 0.00 0.00 175.26 174.17 2k5g s LEU 63 N -0.96 3.55 -0.44 1.83 2.01 -0.26 -4.51 118.68 119.91 2k5g s LEU 63 Ca 0.15 0.00 -0.12 0.00 0.01 0.00 0.00 54.13 54.16 2k5g s LEU 63 Cb -0.12 -1.87 0.07 0.00 0.01 0.00 0.00 46.19 44.28 2k5g s LEU 63 CO 0.04 0.19 0.32 -1.00 1.01 0.00 0.00 176.35 176.91 2k5g s HIS 64 N 0.23 3.28 0.05 0.29 3.76 0.20 -2.30 115.29 120.81 2k5g s HIS 64 Ca 0.01 -1.17 -0.31 0.00 -0.15 0.00 0.00 55.06 53.44 2k5g s HIS 64 Cb -0.13 -2.98 -0.07 0.00 1.11 0.00 0.00 32.58 30.51 2k5g s HIS 64 CO 0.02 -0.80 1.47 -0.06 -0.85 0.00 0.00 174.74 174.52 2k5g s PHE 65 N 1.54 2.82 -0.30 1.40 0.40 -0.12 0.30 117.98 124.03 2k5g s PHE 65 Ca 0.03 0.70 -0.07 0.00 -0.60 0.00 0.00 56.93 57.00 2k5g s PHE 65 Cb -0.23 -3.76 0.15 0.00 0.51 0.00 0.00 43.02 39.69 2k5g s PHE 65 CO 0.05 -2.85 0.62 1.21 0.70 0.00 0.00 175.22 174.95 2k5g s ASN 66 N 1.84 -1.19 0.00 1.36 2.47 -1.25 -3.36 114.94 114.82 2k5g s ASN 66 Ca 0.67 1.29 0.00 0.00 0.42 0.00 0.00 52.86 55.24 2k5g s ASN 66 Cb -0.35 2.21 0.00 0.00 -1.45 0.00 0.00 41.25 41.66 2k5g s ASN 66 CO 0.29 -0.24 0.54 1.57 -3.72 0.00 0.00 177.10 175.54 2k5g n HIS 67 N 5.44 0.00 1.01 0.43 -0.00 -0.15 -4.33 115.22 117.62 2k5g n HIS 67 Ca -0.08 -0.13 0.01 0.00 0.46 0.00 0.00 57.72 57.97 2k5g n HIS 67 Cb 0.50 -0.01 0.04 0.00 -0.12 0.00 0.00 29.99 30.39 2k5g n HIS 67 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2k5g n ALA 68 N -0.13 2.60 0.12 1.57 0.00 -1.26 -2.64 120.51 120.77 2k5g n ALA 68 Ca 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 53.44 53.29 2k5g n ALA 68 Cb 0.17 -1.01 0.02 0.00 0.00 0.00 0.00 19.45 18.63 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 -0.01 2.44 -0.88 0.00 0.00 -1.26 -4.89 120.51 115.91 2k5g n ALA 69 Ca 0.03 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.87 2k5g n ALA 69 Cb 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.62 2k5g n ALA 69 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k5g n LEU 70 N 0.14 0.00 -4.08 0.00 7.94 -1.08 -5.02 117.00 114.90 2k5g n LEU 70 Ca 0.02 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.85 2k5g n LEU 70 Cb 0.11 0.01 -0.10 0.00 0.53 0.00 0.00 43.42 43.97 2k5g n LEU 70 CO 0.02 -0.06 -0.36 0.28 -1.11 0.00 0.00 177.39 176.16 2k5g s THR 71 N -0.12 0.25 -1.73 1.96 -1.32 -1.17 -4.67 115.64 108.84 2k5g s THR 71 Ca 0.00 -1.69 0.00 0.00 -1.21 0.00 0.00 61.69 58.79 2k5g s THR 71 Cb 0.00 -1.36 0.00 0.00 -1.51 0.00 0.00 72.50 69.63 2k5g s THR 71 CO 0.00 -0.92 0.00 0.00 -2.21 0.00 0.00 174.62 171.49 2k5g n ALA 72 N 0.31 -0.39 0.23 11.08 0.00 -1.26 -4.59 120.51 125.90 2k5g n ALA 72 Ca -0.15 0.22 0.06 0.00 0.00 0.00 0.00 53.44 53.57 2k5g n ALA 72 Cb 0.60 -1.89 0.54 0.00 0.00 0.00 0.00 19.45 18.70 2k5g n ALA 72 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2k5g h GLU 73 N 0.00 0.00 -5.32 0.00 4.81 -1.83 -3.38 114.58 108.86 2k5g h GLU 73 Ca -0.39 0.00 -0.64 0.00 -0.13 0.00 0.00 59.36 58.20 2k5g h GLU 73 Cb 1.23 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 30.40 2k5g h GLU 73 CO 0.52 0.14 -0.67 0.99 -0.73 0.00 0.00 179.01 179.26 2k5g s THR 74 N -4.74 3.90 -0.24 0.32 2.01 -1.26 -4.90 115.64 110.73 2k5g s THR 74 Ca -0.04 -0.36 -0.26 0.00 0.31 0.00 0.00 61.69 61.34 2k5g s THR 74 Cb 0.16 -2.70 0.11 0.00 0.01 0.00 0.00 72.50 70.08 2k5g s THR 74 CO 0.69 0.50 0.96 0.00 -0.69 0.00 0.00 174.62 176.08 2k5g s ALA 75 N 0.33 -1.93 0.91 7.40 0.00 -1.26 -5.07 121.76 122.14 2k5g s ALA 75 Ca -0.04 1.80 -0.14 0.00 0.00 0.00 0.00 51.96 53.58 2k5g s ALA 75 Cb -0.14 -1.16 0.15 0.00 0.00 0.00 0.00 23.12 21.97 2k5g s ALA 75 CO 0.03 -0.27 1.23 -1.25 0.00 0.00 0.00 175.76 175.50 2k5g s PRO 76 N -0.12 1.13 0.00 0.00 0.04 -1.26 -4.64 135.00 130.15 2k5g s PRO 76 Ca 0.01 -0.10 0.15 0.00 0.04 0.00 0.00 61.00 61.09 2k5g s PRO 76 Cb -0.04 -1.87 0.68 0.00 0.04 0.00 0.00 34.50 33.31 2k5g s PRO 76 CO -0.03 -2.13 1.44 0.00 0.04 0.00 0.00 177.00 176.32 2k5g n ALA 77 N -3.64 1.75 0.15 8.56 0.00 -1.26 -1.18 120.51 124.88 2k5g n ALA 77 Ca 0.11 -0.06 0.15 0.00 0.00 0.00 0.00 53.44 53.64 2k5g n ALA 77 Cb 0.60 -1.24 0.71 0.00 0.00 0.00 0.00 19.45 19.52 2k5g n ALA 77 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2k5g h ARG 78 N 0.00 0.00 0.00 0.00 9.65 -2.06 -3.40 114.38 118.57 2k5g h ARG 78 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2k5g h ARG 78 Cb 0.20 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.78 2k5g h ARG 78 CO 0.00 0.00 0.00 0.66 2.80 0.00 0.00 179.97 183.43 2k5g n TYR 79 N -4.31 0.00 0.00 2.20 4.01 -0.33 -5.03 117.16 113.71 2k5g n TYR 79 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 2k5g n TYR 79 Cb 0.35 0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 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 -1.72 0.00 -0.15 -0.72 0.00 -0.39 -4.78 120.51 112.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 0.09 0.00 7.27 -1.26 -1.16 117.38 122.32 2k5g n GLN 81 Ca 0.00 0.00 0.12 0.00 0.07 0.00 0.00 57.00 57.19 2k5g n GLN 81 Cb 0.00 0.00 0.45 0.00 2.41 0.00 0.00 30.24 33.10 2k5g n GLN 81 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2k5g n TYR 82 N 0.00 0.66 1.23 3.69 4.01 -1.26 -2.40 117.16 123.09 2k5g n TYR 82 Ca 0.00 0.24 0.14 0.00 -0.16 0.00 0.00 57.90 58.12 2k5g n TYR 82 Cb 0.00 -0.88 0.69 0.00 -0.31 0.00 0.00 39.34 38.84 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 -2.08 0.00 -4.28 7.72 2.03 -0.31 -0.98 116.55 118.65 2k5g n ASP 83 Ca 0.04 0.16 -0.28 0.00 0.52 0.00 0.00 54.79 55.23 2k5g n ASP 83 Cb 0.28 -0.39 -0.15 0.00 -0.72 0.00 0.00 41.12 40.15 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 -2.77 1.65 -0.84 -0.67 0.52 -1.01 -4.90 118.95 110.93 2k5g s ARG 84 Ca 0.22 -0.94 -0.25 0.00 -0.52 0.00 0.00 55.73 54.24 2k5g s ARG 84 Cb 0.20 -1.72 -0.00 0.00 0.52 0.00 0.00 34.95 33.94 2k5g s ARG 84 CO 0.49 0.45 1.70 -2.14 0.02 0.00 0.00 175.30 175.82 2k5g s PRO 85 N -0.97 2.93 -0.24 3.54 0.02 -1.21 -4.49 135.00 134.57 2k5g s PRO 85 Ca 0.09 -0.28 -0.11 0.00 0.02 0.00 0.00 61.00 60.72 2k5g s PRO 85 Cb -0.09 -4.84 -0.05 0.00 0.02 0.00 0.00 34.50 29.54 2k5g s PRO 85 CO 0.01 -2.74 0.17 0.42 -0.33 0.00 0.00 177.00 174.53 2k5g s ILE 86 N 7.89 5.35 -0.26 2.83 1.01 -1.24 -4.82 121.20 131.96 2k5g s ILE 86 Ca 0.58 0.19 -0.06 0.00 0.00 0.00 0.00 60.65 61.36 2k5g s ILE 86 Cb -0.07 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 38.89 2k5g s ILE 86 CO 0.04 0.33 0.05 0.54 0.00 0.00 0.00 174.94 175.91 2k5g s VAL 87 N 1.12 3.97 -0.04 2.92 0.11 -1.25 -0.94 120.40 126.29 2k5g s VAL 87 Ca 0.08 -0.45 0.01 0.00 -2.93 0.00 0.00 61.98 58.69 2k5g s VAL 87 Cb -0.14 -2.93 0.02 0.00 -1.53 0.00 0.00 36.38 31.81 2k5g s VAL 87 CO 0.05 0.25 -0.03 0.00 -3.33 0.00 0.00 175.10 172.04 2k5g s ALA 88 N 1.54 0.61 0.14 1.54 0.00 -0.97 -4.93 121.76 119.69 2k5g s ALA 88 Ca 0.05 -0.02 -0.11 0.00 0.00 0.00 0.00 51.96 51.88 2k5g s ALA 88 Cb -0.16 -0.44 -0.07 0.00 0.00 0.00 0.00 23.12 22.46 2k5g s ALA 88 CO 0.02 -0.07 0.49 1.03 0.00 0.00 0.00 175.76 177.22 2k5g s ARG 89 N 1.04 3.84 0.11 0.00 0.52 -1.26 -1.10 118.95 122.10 2k5g s ARG 89 Ca -0.09 0.29 -0.25 0.00 -0.52 0.00 0.00 55.73 55.16 2k5g s ARG 89 Cb -0.14 -2.88 0.07 0.00 0.52 0.00 0.00 34.95 32.52 2k5g s ARG 89 CO -0.01 0.47 0.64 -3.38 0.02 0.00 0.00 175.30 173.04 2k5g s HIS 90 N -1.54 -0.54 0.19 -0.53 -3.43 -0.50 -4.92 115.29 104.02 2k5g s HIS 90 Ca 0.39 0.45 -0.26 0.00 -0.80 0.00 0.00 55.06 54.84 2k5g s HIS 90 Cb -0.14 0.53 -0.08 0.00 -1.43 0.00 0.00 32.58 31.47 2k5g s HIS 90 CO 0.20 -0.79 0.81 0.99 -2.00 0.00 0.00 174.74 173.95 2k5g s THR 91 N -3.29 4.33 0.53 -5.38 2.01 -1.26 -1.29 115.64 111.29 2k5g s THR 91 Ca -0.01 1.73 -0.18 0.00 0.31 0.00 0.00 61.69 63.55 2k5g s THR 91 Cb -0.01 -4.13 -0.07 0.00 0.01 0.00 0.00 72.50 68.30 2k5g s THR 91 CO -0.09 0.46 1.02 -0.76 -0.69 0.00 0.00 174.62 174.56 2k5g s LEU 92 N -1.30 3.66 -0.03 4.42 1.43 -0.45 -2.67 118.68 123.74 2k5g s LEU 92 Ca 0.38 1.77 -0.05 0.00 -1.03 0.00 0.00 54.13 55.20 2k5g s LEU 92 Cb -0.23 -4.53 -0.02 0.00 0.03 0.00 0.00 46.19 41.44 2k5g s LEU 92 CO 0.26 -0.84 -0.09 -0.11 0.23 0.00 0.00 176.35 175.80 2k5g n LEU 93 N -1.51 0.75 -4.09 1.79 -0.00 0.29 -2.90 117.00 111.33 2k5g n LEU 93 Ca 0.08 0.12 -0.15 0.00 -0.00 0.00 0.00 56.01 56.06 2k5g n LEU 93 Cb 0.53 -0.42 -0.12 0.00 -0.00 0.00 0.00 43.42 43.42 2k5g n LEU 93 CO 0.44 -0.49 -0.42 -0.60 -0.00 0.00 0.00 177.39 176.32 2k5g s ARG 94 N -1.72 0.62 -0.31 1.96 3.52 -0.86 -4.45 118.95 117.72 2k5g s ARG 94 Ca -0.08 -0.81 0.06 0.00 -0.13 0.00 0.00 55.73 54.77 2k5g s ARG 94 Cb 0.01 -0.47 0.19 0.00 -1.56 0.00 0.00 34.95 33.12 2k5g s ARG 94 CO 0.11 0.10 0.56 0.00 -0.81 0.00 0.00 175.30 175.27 2k5g s GLU 96 N 2.61 2.42 0.17 0.00 2.02 0.48 -4.99 118.70 121.40 2k5g s GLU 96 Ca 0.11 -2.82 -0.30 0.00 0.02 0.00 0.00 54.97 51.99 2k5g s GLU 96 Cb -0.10 -3.55 -0.07 0.00 0.10 0.00 0.00 34.13 30.51 2k5g s GLU 96 CO -0.23 -1.18 1.07 -1.25 0.02 0.00 0.00 175.26 173.69 2k5g s PRO 97 N -0.57 4.62 -0.47 0.39 0.04 -1.26 -0.10 135.00 137.65 2k5g s PRO 97 Ca 0.20 1.66 -0.12 0.00 0.04 0.00 0.00 61.00 62.78 2k5g s PRO 97 Cb -0.18 -3.30 0.10 0.00 0.04 0.00 0.00 34.50 31.16 2k5g s PRO 97 CO -0.06 0.11 0.36 -1.25 0.04 0.00 0.00 177.00 176.20 2k5g s PRO 98 N -0.30 2.72 0.00 0.56 0.04 -1.26 -5.04 135.00 131.72 2k5g s PRO 98 Ca 0.49 -1.56 0.00 0.00 0.04 0.00 0.00 61.00 59.97 2k5g s PRO 98 Cb -0.28 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.27 2k5g s PRO 98 CO 0.34 -1.10 0.00 -2.13 0.04 0.00 0.00 177.00 174.15 2k5g n ARG 99 N 5.04 0.00 -4.20 4.56 3.00 0.86 -4.72 116.66 121.20 2k5g n ARG 99 Ca -0.11 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.54 2k5g n ARG 99 Cb 0.42 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.76 2k5g n ARG 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2k5g s VAL 100 N -0.26 1.29 0.02 5.15 -7.23 -1.16 -2.30 120.40 115.91 2k5g s VAL 100 Ca 0.00 -1.38 -0.05 0.00 -1.81 0.00 0.00 61.98 58.74 2k5g s VAL 100 Cb 0.00 -1.21 -0.01 0.00 0.56 0.00 0.00 36.38 35.72 2k5g s VAL 100 CO 0.00 -0.18 0.09 -1.48 -0.31 0.00 0.00 175.10 173.22 2k5g s LEU 101 N -1.79 1.78 -0.05 1.32 0.05 -0.30 -0.38 118.68 119.30 2k5g s LEU 101 Ca 0.00 -0.38 -0.09 0.00 0.05 0.00 0.00 54.13 53.72 2k5g s LEU 101 Cb -0.10 0.53 0.02 0.00 -2.05 0.00 0.00 46.19 44.59 2k5g s LEU 101 CO 0.03 -0.40 0.22 0.00 -0.55 0.00 0.00 176.35 175.64 2k5g s ALA 102 N -1.81 -0.54 0.23 1.48 0.00 0.26 -0.14 121.76 121.24 2k5g s ALA 102 Ca -0.12 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.23 2k5g s ALA 102 Cb -0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 2k5g s ALA 102 CO -0.01 -0.16 0.19 -0.48 0.00 0.00 0.00 175.76 175.30 2k5g s LEU 103 N -0.53 1.24 0.07 0.00 2.34 0.22 -0.55 118.68 121.48 2k5g s LEU 103 Ca -0.06 -1.45 0.05 0.00 0.06 0.00 0.00 54.13 52.73 2k5g s LEU 103 Cb -0.04 0.51 -0.03 0.00 -0.56 0.00 0.00 46.19 46.07 2k5g s LEU 103 CO 0.01 -0.91 -0.14 0.28 -1.06 0.00 0.00 176.35 174.53 2k5g s THR 104 N -3.97 1.13 0.22 5.48 -1.32 -1.09 0.60 115.64 116.69 2k5g s THR 104 Ca 0.38 -1.33 -0.22 0.00 -1.21 0.00 0.00 61.69 59.31 2k5g s THR 104 Cb 0.05 -1.10 0.04 0.00 -1.51 0.00 0.00 72.50 69.98 2k5g s THR 104 CO 0.15 -0.23 0.70 -1.66 -2.21 0.00 0.00 174.62 171.37 2k5g s TRP 105 N -1.32 -0.31 0.00 9.09 -2.14 0.15 -4.32 118.94 120.09 2k5g s TRP 105 Ca -0.01 -0.05 0.00 0.00 2.66 0.00 0.00 56.10 58.70 2k5g s TRP 105 Cb -0.10 0.65 0.00 0.00 -3.10 0.00 0.00 33.47 30.92 2k5g s TRP 105 CO 0.02 -1.06 0.00 0.41 -2.66 0.00 0.00 176.95 173.66 2k5g n GLY 106 N -0.43 1.76 3.57 3.67 0.00 -1.26 -0.66 105.19 111.85 2k5g n GLY 106 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 2k5g n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5g n GLY 107 N -0.88 0.86 0.00 -0.02 0.00 -1.26 -3.27 105.19 100.61 2k5g n GLY 107 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.81 2k5g n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5g n GLY 108 N 5.91 -0.48 1.39 -0.02 0.00 -1.26 -4.87 105.19 105.86 2k5g n GLY 108 Ca 0.32 0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.55 2k5g n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5g n ALA 109 N -0.23 3.25 -2.45 4.61 0.00 -1.26 -4.51 120.51 119.92 2k5g n ALA 109 Ca 0.00 -1.90 -0.26 0.00 0.00 0.00 0.00 53.44 51.27 2k5g n ALA 109 Cb 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2k5g n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5g n GLY 110 N 0.38 5.96 7.00 0.00 0.00 -1.20 -5.09 105.19 112.24 2k5g n GLY 110 Ca 0.24 -2.74 0.00 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.49 0.00 -2.32 1.61 4.07 -1.26 -4.75 120.64 117.50 2k5g n GLU 111 Ca 0.39 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 57.11 2k5g n GLU 111 Cb 0.68 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 32.04 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 -1.74 3.07 -0.08 4.31 0.00 -1.26 -4.08 121.76 121.98 2k5g s ALA 112 Ca 0.00 0.91 -0.32 0.00 0.00 0.00 0.00 51.96 52.55 2k5g s ALA 112 Cb 0.00 -3.36 -0.10 0.00 0.00 0.00 0.00 23.12 19.66 2k5g s ALA 112 CO 0.00 -0.53 1.99 -0.35 0.00 0.00 0.00 175.76 176.87 2k5g n PRO 113 N -0.17 2.32 -3.27 0.00 -0.04 -1.26 -4.67 135.00 127.90 2k5g n PRO 113 Ca 0.06 0.82 -0.26 0.00 -0.04 0.00 0.00 63.50 64.07 2k5g n PRO 113 Cb 0.48 -2.86 -0.02 0.00 -0.04 0.00 0.00 33.50 31.06 2k5g n PRO 113 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2k5g s SER 114 N 5.11 6.34 0.06 3.54 1.04 0.17 -4.80 113.70 125.16 2k5g s SER 114 Ca 0.94 0.60 0.03 0.00 0.48 0.00 0.00 55.95 58.00 2k5g s SER 114 Cb -0.56 -2.10 -0.04 0.00 0.10 0.00 0.00 66.02 63.43 2k5g s SER 114 CO 0.46 -0.29 0.02 -1.83 0.98 0.00 0.00 173.24 172.58 2k5g s GLU 115 N -4.09 2.71 -0.17 4.02 -1.05 -0.19 -0.68 118.70 119.26 2k5g s GLU 115 Ca 0.42 -0.73 -0.00 0.00 -0.15 0.00 0.00 54.97 54.51 2k5g s GLU 115 Cb -0.10 -2.63 0.04 0.00 -0.44 0.00 0.00 34.13 31.00 2k5g s GLU 115 CO 0.35 0.57 -0.07 0.08 0.95 0.00 0.00 175.26 177.14 2k5g s VAL 116 N -1.27 1.30 -0.16 1.83 1.01 0.20 -1.02 120.40 122.29 2k5g s VAL 116 Ca 0.25 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 2k5g s VAL 116 Cb -0.12 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 2k5g s VAL 116 CO 0.17 0.17 -0.03 -0.22 0.00 0.00 0.00 175.10 175.18 2k5g s LEU 117 N 1.55 3.24 -0.20 3.92 1.98 0.19 -0.61 118.68 128.76 2k5g s LEU 117 Ca 0.00 -0.14 -0.02 0.00 -2.89 0.00 0.00 54.13 51.08 2k5g s LEU 117 Cb -0.15 -1.79 0.00 0.00 0.66 0.00 0.00 46.19 44.91 2k5g s LEU 117 CO -0.08 0.15 -0.11 -0.36 -1.89 0.00 0.00 176.35 174.07 2k5g s PHE 118 N 0.45 2.88 -0.22 5.38 0.08 0.80 -1.40 117.98 125.95 2k5g s PHE 118 Ca -0.03 -1.21 0.01 0.00 0.12 0.00 0.00 56.93 55.82 2k5g s PHE 118 Cb -0.14 -2.03 0.05 0.00 -0.57 0.00 0.00 43.02 40.33 2k5g s PHE 118 CO 0.03 -0.65 -0.10 -1.21 -0.10 0.00 0.00 175.22 173.19 2k5g s GLU 119 N 1.38 2.09 0.02 0.44 2.02 -1.17 -1.15 118.70 122.33 2k5g s GLU 119 Ca 0.05 -1.01 -0.07 0.00 0.02 0.00 0.00 54.97 53.95 2k5g s GLU 119 Cb -0.14 -2.60 -0.05 0.00 0.10 0.00 0.00 34.13 31.45 2k5g s GLU 119 CO -0.07 -0.48 0.29 -0.51 0.02 0.00 0.00 175.26 174.51 2k5g s LEU 120 N 1.30 4.37 0.15 1.80 1.43 -0.97 -1.88 118.68 124.88 2k5g s LEU 120 Ca -0.04 0.61 0.08 0.00 -1.03 0.00 0.00 54.13 53.76 2k5g s LEU 120 Cb -0.18 -2.70 -0.04 0.00 0.03 0.00 0.00 46.19 43.30 2k5g s LEU 120 CO -0.07 0.25 -0.19 -0.44 0.23 0.00 0.00 176.35 176.13 2k5g s SER 121 N -1.67 2.63 -0.14 2.29 0.01 0.14 -4.79 113.70 112.17 2k5g s SER 121 Ca 0.28 -0.83 -0.03 0.00 1.31 0.00 0.00 55.95 56.69 2k5g s SER 121 Cb -0.13 -0.15 -0.02 0.00 0.21 0.00 0.00 66.02 65.92 2k5g s SER 121 CO 0.16 -0.02 -0.06 -1.83 0.41 0.00 0.00 173.24 171.89 2k5g s GLU 122 N -2.62 3.55 0.11 12.44 -1.05 -1.26 -2.13 118.70 127.74 2k5g s GLU 122 Ca 0.14 -0.56 0.00 0.00 -0.15 0.00 0.00 54.97 54.39 2k5g s GLU 122 Cb -0.06 -2.82 0.00 0.00 -0.44 0.00 0.00 34.13 30.80 2k5g s GLU 122 CO 0.06 0.26 0.00 0.00 0.95 0.00 0.00 175.26 176.53 2k5g n ALA 123 N 3.45 0.09 0.09 -0.84 0.00 0.11 -4.97 120.51 118.45 2k5g n ALA 123 Ca -0.18 -0.48 -0.07 0.00 0.00 0.00 0.00 53.44 52.72 2k5g n ALA 123 Cb 0.53 0.26 -0.04 0.00 0.00 0.00 0.00 19.45 20.19 2k5g n ALA 123 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2k5g h GLY 124 N 0.25 -1.02 -0.44 0.00 0.00 -1.90 -3.35 103.07 96.61 2k5g h GLY 124 Ca -0.09 0.47 -0.00 0.00 0.00 0.00 0.00 47.33 47.71 2k5g h GLY 124 CO 0.15 -0.34 -0.21 1.18 0.00 0.00 0.00 176.54 177.32 2k5g n GLU 125 N -3.61 0.83 -4.25 4.80 1.02 -1.14 -4.66 120.64 113.63 2k5g n GLU 125 Ca -0.04 -2.05 -0.14 0.00 -0.02 0.00 0.00 57.16 54.91 2k5g n GLU 125 Cb 0.18 -1.13 -0.10 0.00 -0.02 0.00 0.00 31.44 30.37 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 -1.85 1.11 -0.11 3.49 -0.21 -0.63 -0.75 119.66 120.71 2k5g s GLN 126 Ca 0.21 -1.53 -0.01 0.00 0.02 0.00 0.00 55.36 54.05 2k5g s GLN 126 Cb 0.19 -0.33 0.03 0.00 1.00 0.00 0.00 33.01 33.90 2k5g s GLN 126 CO 0.01 -0.10 -0.01 0.08 -2.12 0.00 0.00 175.29 173.15 2k5g s VAL 127 N -3.60 0.58 -0.12 1.09 1.01 0.20 -0.71 120.40 118.85 2k5g s VAL 127 Ca 0.23 -0.14 -0.18 0.00 0.00 0.00 0.00 61.98 61.89 2k5g s VAL 127 Cb 0.06 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 2k5g s VAL 127 CO 0.04 0.18 0.45 0.00 0.00 0.00 0.00 175.10 175.76 2k5g s ARG 128 N 1.88 4.32 -0.12 2.72 1.70 -0.90 0.24 118.95 128.78 2k5g s ARG 128 Ca 0.03 0.40 0.02 0.00 -0.47 0.00 0.00 55.73 55.72 2k5g s ARG 128 Cb -0.13 -3.43 -0.00 0.00 -0.57 0.00 0.00 34.95 30.81 2k5g s ARG 128 CO -0.07 0.17 -0.20 -1.17 -1.08 0.00 0.00 175.30 172.96 2k5g s LEU 129 N 0.58 2.31 -0.29 -1.89 0.20 0.76 -0.69 118.68 119.65 2k5g s LEU 129 Ca 0.25 -0.50 -0.10 0.00 0.69 0.00 0.00 54.13 54.47 2k5g s LEU 129 Cb -0.15 -1.49 -0.03 0.00 -0.43 0.00 0.00 46.19 44.10 2k5g s LEU 129 CO 0.09 0.13 0.16 -0.69 -0.29 0.00 0.00 176.35 175.75 2k5g s VAL 130 N 0.52 4.84 -0.21 1.68 1.01 -0.79 0.01 120.40 127.46 2k5g s VAL 130 Ca -0.12 -0.16 -0.21 0.00 0.00 0.00 0.00 61.98 61.48 2k5g s VAL 130 Cb -0.17 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 2k5g s VAL 130 CO 0.05 0.17 0.66 -0.22 0.00 0.00 0.00 175.10 175.76 2k5g s LEU 131 N 1.67 4.13 -0.13 3.92 0.20 -0.04 -3.02 118.68 125.40 2k5g s LEU 131 Ca 0.06 0.86 0.01 0.00 0.69 0.00 0.00 54.13 55.75 2k5g s LEU 131 Cb -0.16 -2.94 0.02 0.00 -0.43 0.00 0.00 46.19 42.68 2k5g s LEU 131 CO 0.08 -0.32 -0.15 -0.89 -0.29 0.00 0.00 176.35 174.77 2k5g s THR 132 N 2.11 1.60 -0.22 3.68 2.01 -0.50 -1.98 115.64 122.35 2k5g s THR 132 Ca 0.30 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 61.62 2k5g s THR 132 Cb -0.16 -1.48 0.06 0.00 0.01 0.00 0.00 72.50 70.93 2k5g s THR 132 CO 0.10 0.46 -0.05 -2.28 -0.69 0.00 0.00 174.62 172.17 2k5g s HIS 133 N 1.23 2.13 0.48 4.92 5.04 0.12 0.57 115.29 129.78 2k5g s HIS 133 Ca -0.01 -1.54 0.01 0.00 -1.54 0.00 0.00 55.06 51.98 2k5g s HIS 133 Cb -0.14 -1.48 0.01 0.00 0.04 0.00 0.00 32.58 31.01 2k5g s HIS 133 CO -0.06 -0.73 0.08 2.41 -2.34 0.00 0.00 174.74 174.10 2k5g n THR 134 N 4.75 0.00 -1.80 0.89 -1.04 -0.19 -1.10 114.28 115.78 2k5g n THR 134 Ca -0.12 -2.17 -0.12 0.00 -2.04 0.00 0.00 64.05 59.60 2k5g n THR 134 Cb 0.45 0.33 -0.03 0.00 -1.82 0.00 0.00 70.33 69.26 2k5g n THR 134 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2k5g n ARG 135 N -1.28 -0.92 -2.84 -2.82 5.12 -1.26 -1.02 116.66 111.64 2k5g n ARG 135 Ca -0.16 0.76 -0.43 0.00 -1.93 0.00 0.00 57.85 56.09 2k5g n ARG 135 Cb 0.59 -4.86 -0.04 0.00 -1.16 0.00 0.00 32.46 26.99 2k5g n ARG 135 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2k5g s LEU 136 N -3.17 4.06 0.36 0.55 1.43 -1.26 -4.36 118.68 116.29 2k5g s LEU 136 Ca 0.00 -0.04 0.20 0.00 -1.03 0.00 0.00 54.13 53.26 2k5g s LEU 136 Cb 0.00 -3.06 0.21 0.00 0.03 0.00 0.00 46.19 43.37 2k5g s LEU 136 CO 0.00 -1.09 1.49 0.00 0.23 0.00 0.00 176.35 176.98 2k5g h ALA 137 N 9.14 0.85 -2.29 4.21 0.00 -1.93 -3.47 119.26 125.77 2k5g h ALA 137 Ca -0.25 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 2k5g h ALA 137 Cb 1.08 -0.02 -0.18 0.00 0.00 0.00 0.00 17.79 18.67 2k5g h ALA 137 CO 1.04 0.23 0.02 0.34 0.00 0.00 0.00 179.25 180.88 2k5g s ASP 138 N -6.21 -0.47 0.48 0.00 2.15 -1.26 -5.03 116.67 106.34 2k5g s ASP 138 Ca 0.05 0.38 0.18 0.00 0.43 0.00 0.00 52.55 53.60 2k5g s ASP 138 Cb 0.06 0.47 1.20 0.00 -0.30 0.00 0.00 42.92 44.35 2k5g s ASP 138 CO 0.71 -0.60 2.01 0.08 -0.17 0.00 0.00 175.17 177.20 2k5g h ARG 139 N 3.15 0.19 -0.15 4.34 0.11 -1.95 0.12 114.38 120.20 2k5g h ARG 139 Ca -0.29 -0.01 -0.08 0.00 0.10 0.00 0.00 59.98 59.70 2k5g h ARG 139 Cb 1.17 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 32.20 2k5g h ARG 139 CO 0.40 0.13 -0.26 0.00 0.10 0.00 0.00 179.97 180.34 2k5g h ALA 140 N 1.76 1.29 0.07 0.08 0.00 -1.97 -0.47 119.26 120.01 2k5g h ALA 140 Ca 0.23 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2k5g h ALA 140 Cb 0.64 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2k5g h ALA 140 CO -0.04 0.48 -0.03 0.00 0.00 0.00 0.00 179.25 179.66 2k5g h ALA 141 N 1.49 -0.09 -0.58 0.00 0.00 -1.18 0.33 119.26 119.23 2k5g h ALA 141 Ca 0.04 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 54.92 2k5g h ALA 141 Cb 0.59 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.33 2k5g h ALA 141 CO 0.04 -0.42 0.07 0.52 0.00 0.00 0.00 179.25 179.46 2k5g h MET 142 N -0.35 0.19 0.00 0.00 2.86 -1.27 0.91 114.93 117.27 2k5g h MET 142 Ca -0.01 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 2k5g h MET 142 Cb 0.31 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 2k5g h MET 142 CO 0.02 0.12 -0.18 -0.07 1.06 0.00 0.00 176.91 177.86 2k5g h LEU 143 N 0.19 0.00 0.13 1.22 3.38 -0.79 0.92 115.31 120.36 2k5g h LEU 143 Ca 0.30 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.05 2k5g h LEU 143 Cb 0.46 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.24 2k5g h LEU 143 CO -0.43 0.18 -0.97 -0.78 0.09 0.00 0.00 178.44 176.52 2k5g h ASP 144 N 0.00 0.63 1.55 -0.43 1.82 0.20 -3.19 116.42 117.00 2k5g h ASP 144 Ca -0.00 -0.89 0.00 0.00 -0.39 0.00 0.00 57.03 55.75 2k5g h ASP 144 Cb 0.54 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.35 2k5g h ASP 144 CO 0.02 1.46 0.00 -0.37 -1.61 0.00 0.00 179.24 178.74 2k5g h VAL 145 N -0.11 0.00 -0.49 2.25 -1.51 -1.04 -2.86 116.25 112.48 2k5g h VAL 145 Ca -0.16 -0.59 0.10 0.00 -1.23 0.00 0.00 66.70 64.82 2k5g h VAL 145 Cb 1.73 1.58 -0.03 0.00 -2.13 0.00 0.00 31.29 32.44 2k5g h VAL 145 CO 0.18 0.00 0.34 0.00 -1.23 0.00 0.00 177.57 176.86 2k5g h ALA 146 N 2.37 2.18 0.00 5.19 0.00 -0.80 -1.87 119.26 126.33 2k5g h ALA 146 Ca 0.00 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 54.24 2k5g h ALA 146 Cb 0.78 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.57 2k5g h ALA 146 CO 0.00 -0.30 2.49 0.41 0.00 0.00 0.00 179.25 181.85 2k5g n GLY 147 N -1.56 2.98 0.00 0.00 0.00 -1.08 -3.62 105.19 101.91 2k5g n GLY 147 Ca 0.08 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.76 2k5g n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5g n GLY 148 N 4.42 2.44 0.00 -0.02 0.00 -1.21 -5.06 105.19 105.76 2k5g n GLY 148 Ca 0.50 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.25 1.61 5.03 -0.71 -3.24 117.44 119.88 2k5g n TRP 149 Ca 0.00 0.00 0.05 0.00 3.03 0.00 0.00 57.50 60.58 2k5g n TRP 149 Cb 0.00 -0.39 0.18 0.00 -1.03 0.00 0.00 31.31 30.07 2k5g n TRP 149 CO 0.00 0.00 0.00 1.12 -0.03 0.00 0.00 177.69 178.78 2k5g h HIS 150 N 0.00 0.45 -0.41 -5.99 2.07 -1.82 -0.10 115.15 109.36 2k5g h HIS 150 Ca 0.00 0.04 0.11 0.00 -2.85 0.00 0.00 60.37 57.66 2k5g h HIS 150 Cb 0.00 -0.09 -0.02 0.00 2.57 0.00 0.00 27.41 29.88 2k5g h HIS 150 CO 0.18 0.03 0.29 0.00 -3.07 0.00 0.00 177.93 175.36 2k5g h ALA 151 N 1.55 2.30 0.00 6.11 0.00 -1.83 -1.26 119.26 126.13 2k5g h ALA 151 Ca 0.40 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 2k5g h ALA 151 Cb 0.62 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2k5g h ALA 151 CO -0.42 -0.41 -0.02 1.12 0.00 0.00 0.00 179.25 179.52 2k5g h HIS 152 N 0.06 0.00 -0.26 0.00 -0.00 -0.98 -0.61 115.15 113.37 2k5g h HIS 152 Ca 0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.54 2k5g h HIS 152 Cb 0.69 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.08 2k5g h HIS 152 CO -0.00 0.02 0.06 -0.07 -0.00 0.00 0.00 177.93 177.94 2k5g h LEU 153 N 0.00 0.33 -0.24 6.12 3.38 -1.36 0.80 115.31 124.33 2k5g h LEU 153 Ca -0.00 -0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.72 2k5g h LEU 153 Cb 0.14 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2k5g h LEU 153 CO 0.00 0.34 -0.85 0.00 0.09 0.00 0.00 178.44 178.02 2k5g h ALA 154 N 1.71 0.43 -0.53 1.53 0.00 -1.29 -2.73 119.26 118.38 2k5g h ALA 154 Ca 0.09 -0.66 -0.07 0.00 0.00 0.00 0.00 54.91 54.27 2k5g h ALA 154 Cb 0.15 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2k5g h ALA 154 CO -0.00 0.77 0.07 0.28 0.00 0.00 0.00 179.25 180.37 2k5g h VAL 155 N 0.29 1.25 0.47 0.00 2.07 -1.32 -1.21 116.25 117.81 2k5g h VAL 155 Ca -0.06 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 2k5g h VAL 155 Cb 1.47 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 2k5g h VAL 155 CO 0.15 0.35 -0.47 -0.07 0.02 0.00 0.00 177.57 177.55 2k5g h LEU 156 N 0.76 -1.29 -0.49 2.57 3.38 -0.85 -0.82 115.31 118.57 2k5g h LEU 156 Ca 0.16 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.28 2k5g h LEU 156 Cb 0.43 0.43 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 2k5g h LEU 156 CO 0.01 -0.63 0.23 0.00 0.09 0.00 0.00 178.44 178.14 2k5g h ALA 157 N -0.73 0.62 -0.63 1.53 0.00 -1.41 0.41 119.26 119.06 2k5g h ALA 157 Ca -0.05 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2k5g h ALA 157 Cb 0.83 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2k5g h ALA 157 CO -0.06 -0.13 0.42 0.78 0.00 0.00 0.00 179.25 180.25 2k5g h GLY 158 N 0.45 0.88 1.40 0.00 0.00 -1.10 -0.06 103.07 104.64 2k5g h GLY 158 Ca 0.22 -0.33 -0.28 0.00 0.00 0.00 0.00 47.33 46.95 2k5g h GLY 158 CO -0.18 0.32 -1.17 0.50 0.00 0.00 0.00 176.54 176.01 2k5g h LYS 159 N 0.85 0.50 0.00 4.80 6.56 -0.62 -1.69 116.57 126.97 2k5g h LYS 159 Ca 0.23 -0.67 -0.06 0.00 -1.06 0.00 0.00 60.65 59.09 2k5g h LYS 159 Cb -0.10 0.22 -0.01 0.00 -0.57 0.00 0.00 32.23 31.77 2k5g h LYS 159 CO -0.05 1.28 -0.29 -0.07 -2.06 0.00 0.00 179.45 178.26 2k5g h LEU 160 N 0.22 0.00 -0.00 2.94 3.38 -0.09 0.17 115.31 121.93 2k5g h LEU 160 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2k5g h LEU 160 Cb 1.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.60 2k5g h LEU 160 CO 0.21 0.29 0.00 0.00 0.09 0.00 0.00 178.44 179.03 2k5g n ALA 161 N -2.47 2.24 -1.54 1.53 0.00 -0.04 -4.85 120.51 115.38 2k5g n ALA 161 Ca -0.02 -0.09 -0.06 0.00 0.00 0.00 0.00 53.44 53.27 2k5g n ALA 161 Cb 0.34 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.33 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 1.30 0.55 0.00 0.00 0.00 0.05 -5.02 105.19 102.07 2k5g n GLY 162 Ca 0.06 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.33 1.90 -1.78 1.61 10.64 -0.65 -5.03 117.38 121.74 2k5g n GLN 163 Ca -0.06 0.00 -0.38 0.00 -1.83 0.00 0.00 57.00 54.73 2k5g n GLN 163 Cb 0.33 0.00 0.05 0.00 -0.86 0.00 0.00 30.24 29.76 2k5g n GLN 163 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2k5g s ALA 164 N -2.00 2.69 0.58 2.61 0.00 -1.26 -4.49 121.76 119.89 2k5g s ALA 164 Ca 0.00 1.29 -0.16 0.00 0.00 0.00 0.00 51.96 53.09 2k5g s ALA 164 Cb 0.00 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 2k5g s ALA 164 CO 0.00 -1.43 1.06 -1.25 0.00 0.00 0.00 175.76 174.15 2k5g s PRO 165 N -3.05 3.34 0.65 0.00 0.04 -1.26 -4.72 135.00 130.01 2k5g s PRO 165 Ca 0.75 1.25 -0.14 0.00 0.04 0.00 0.00 61.00 62.90 2k5g s PRO 165 Cb -0.39 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.11 2k5g s PRO 165 CO 0.45 -0.80 1.07 -1.25 0.04 0.00 0.00 177.00 176.51 2k5g s PRO 166 N -3.94 3.01 0.57 0.56 0.04 -1.26 -4.93 135.00 129.04 2k5g s PRO 166 Ca 0.65 1.16 0.38 0.00 0.04 0.00 0.00 61.00 63.23 2k5g s PRO 166 Cb -0.17 -1.99 2.00 0.00 0.04 0.00 0.00 34.50 34.39 2k5g s PRO 166 CO 0.35 -1.06 2.17 -1.00 0.04 0.00 0.00 177.00 177.50 2k5g h PRO 167 N -0.14 0.00 0.00 0.56 0.13 -1.99 -3.46 132.00 127.11 2k5g h PRO 167 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2k5g h PRO 167 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2k5g h PRO 167 CO 0.56 0.00 0.00 0.34 -0.23 0.00 0.00 178.00 178.67 2k5g n PHE 168 N -2.90 0.00 -0.21 1.56 7.35 -1.26 -4.39 117.46 117.62 2k5g n PHE 168 Ca -0.02 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.68 2k5g n PHE 168 Cb 0.10 0.00 0.12 0.00 0.35 0.00 0.00 39.48 40.05 2k5g n PHE 168 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 2k5g h TRP 169 N 0.00 0.33 0.30 -5.13 4.06 -1.98 0.27 115.95 113.80 2k5g h TRP 169 Ca 0.00 0.03 -0.00 0.00 2.06 0.00 0.00 58.89 60.98 2k5g h TRP 169 Cb 0.00 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.09 2k5g h TRP 169 CO 0.00 0.04 -0.24 1.15 -3.56 0.00 0.00 178.44 175.83 2k5g h THR 170 N 0.35 0.49 -0.61 1.49 2.02 -1.98 0.91 112.91 115.58 2k5g h THR 170 Ca 0.32 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.43 2k5g h THR 170 Cb 0.45 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 2k5g h THR 170 CO -0.36 0.00 0.09 0.74 0.37 0.00 0.00 175.52 176.36 2k5g h THR 171 N -0.55 1.25 0.68 3.16 2.02 -1.79 -0.81 112.91 116.87 2k5g h THR 171 Ca -0.02 -1.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.13 2k5g h THR 171 Cb 0.48 0.69 0.01 0.00 -1.74 0.00 0.00 68.15 67.59 2k5g h THR 171 CO -0.02 0.37 -0.34 0.25 0.37 0.00 0.00 175.52 176.16 2k5g h LEU 172 N 0.93 -0.81 -1.05 2.58 5.85 -0.19 -1.55 115.31 121.07 2k5g h LEU 172 Ca 0.19 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 2k5g h LEU 172 Cb 0.42 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 2k5g h LEU 172 CO 0.01 -0.56 0.26 0.00 -0.34 0.00 0.00 178.44 177.81 2k5g h ALA 173 N -1.54 1.25 0.31 1.25 0.00 -0.82 0.75 119.26 120.46 2k5g h ALA 173 Ca -0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2k5g h ALA 173 Cb 0.71 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2k5g h ALA 173 CO 0.14 0.55 -0.15 0.37 0.00 0.00 0.00 179.25 180.17 2k5g h GLN 174 N 0.92 -0.40 0.00 0.00 4.15 -1.13 0.21 115.11 118.86 2k5g h GLN 174 Ca 0.22 0.03 -0.11 0.00 0.77 0.00 0.00 58.65 59.55 2k5g h GLN 174 Cb 0.18 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 2k5g h GLN 174 CO -0.02 -0.22 -0.54 0.00 -1.93 0.00 0.00 178.83 176.12 2k5g h ALA 175 N 0.20 0.95 0.30 3.38 0.00 -1.11 0.28 119.26 123.26 2k5g h ALA 175 Ca -0.04 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 2k5g h ALA 175 Cb 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2k5g h ALA 175 CO 0.07 0.68 -0.16 0.93 0.00 0.00 0.00 179.25 180.76 2k5g h GLU 176 N 0.00 -0.42 -0.84 0.00 5.08 -0.65 -1.20 114.58 116.55 2k5g h GLU 176 Ca -0.01 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 2k5g h GLU 176 Cb 1.06 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.36 2k5g h GLU 176 CO 0.07 -0.28 0.55 1.96 -1.00 0.00 0.00 179.01 180.32 2k5g h GLN 177 N -0.43 1.00 0.15 2.33 1.08 -0.35 0.05 115.11 118.94 2k5g h GLN 177 Ca -0.04 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 2k5g h GLN 177 Cb 0.34 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 2k5g h GLN 177 CO 0.06 0.66 -0.07 0.22 -0.95 0.00 0.00 178.83 178.74 2k5g h ASP 178 N 1.03 -0.18 0.77 1.46 3.58 -0.56 -0.42 116.42 122.10 2k5g h ASP 178 Ca 0.34 -0.05 -0.18 0.00 0.42 0.00 0.00 57.03 57.56 2k5g h ASP 178 Cb 0.06 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 2k5g h ASP 178 CO -0.10 -0.07 -0.85 1.88 -2.88 0.00 0.00 179.24 177.21 2k5g h TYR 179 N -0.27 0.08 0.00 0.28 0.05 -1.03 0.14 116.97 116.22 2k5g h TYR 179 Ca -0.02 -0.05 -0.04 0.00 0.05 0.00 0.00 58.73 58.67 2k5g h TYR 179 Cb 0.21 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 2k5g h TYR 179 CO -0.05 0.88 -0.17 0.93 -1.05 0.00 0.00 178.16 178.70 2k5g h GLU 180 N 0.03 0.00 0.12 4.88 4.39 -0.94 -2.47 114.58 120.59 2k5g h GLU 180 Ca -0.02 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.35 2k5g h GLU 180 Cb 1.49 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.13 2k5g h GLU 180 CO 0.12 0.17 -1.75 0.37 -1.16 0.00 0.00 179.01 176.76 2k5g h GLN 181 N 0.00 0.26 0.14 2.33 5.75 -0.73 -3.34 115.11 119.52 2k5g h GLN 181 Ca -0.00 -0.44 0.02 0.00 -0.15 0.00 0.00 58.65 58.07 2k5g h GLN 181 Cb 0.55 0.16 -0.04 0.00 1.07 0.00 0.00 27.48 29.22 2k5g h GLN 181 CO 0.02 1.21 -0.42 -0.09 -2.65 0.00 0.00 178.83 176.90 2k5g h ARG 182 N -0.12 -0.65 -3.33 1.69 1.12 -0.63 -3.33 114.38 109.13 2k5g h ARG 182 Ca -0.38 0.04 -0.67 0.00 -1.11 0.00 0.00 59.98 57.87 2k5g h ARG 182 Cb 1.91 0.15 -0.38 0.00 -0.01 0.00 0.00 29.97 31.64 2k5g h ARG 182 CO 0.07 -0.43 -0.39 -1.17 -3.11 0.00 0.00 179.97 174.94 2k5g s LEU 183 N -10.27 5.06 -1.05 3.80 2.96 -0.94 -4.95 118.68 113.30 2k5g s LEU 183 Ca -0.16 -3.42 -0.03 0.00 -0.22 0.00 0.00 54.13 50.30 2k5g s LEU 183 Cb 0.07 -1.78 0.24 0.00 0.50 0.00 0.00 46.19 45.23 2k5g s LEU 183 CO 0.63 -0.21 2.10 0.00 -1.32 0.00 0.00 176.35 177.55 2k5g n LEU 184 N 2.66 7.53 -4.87 -0.68 -0.00 -1.25 -4.79 117.00 115.59 2k5g n LEU 184 Ca 0.15 -5.06 -0.31 0.00 -0.00 0.00 0.00 56.01 50.78 2k5g n LEU 184 Cb 0.36 -1.22 0.01 0.00 -0.00 0.00 0.00 43.42 42.57 2k5g n LEU 184 CO 0.33 1.99 0.71 -0.70 -0.00 0.00 0.00 177.39 179.72 2k5g s GLU 185 N -3.12 3.52 -0.12 1.47 -6.30 -1.26 -4.95 118.70 107.94 2k5g s GLU 185 Ca 0.47 0.70 -0.29 0.00 -2.50 0.00 0.00 54.97 53.34 2k5g s GLU 185 Cb 0.23 -2.09 -0.06 0.00 0.00 0.00 0.00 34.13 32.22 2k5g s GLU 185 CO -0.16 -0.60 1.96 -1.58 0.02 0.00 0.00 175.26 174.90 2k5g s HIS 186 N -3.18 1.45 -0.58 5.30 5.65 -1.26 -4.89 115.29 117.79 2k5g s HIS 186 Ca 0.55 0.15 -0.27 0.00 0.25 0.00 0.00 55.06 55.73 2k5g s HIS 186 Cb -0.11 -4.06 0.00 0.00 -1.18 0.00 0.00 32.58 27.23 2k5g s HIS 186 CO 0.53 -4.38 1.55 -1.58 -0.65 0.00 0.00 174.74 170.22 2k5g s HIS 187 N 5.98 2.07 0.00 3.88 2.46 -1.26 -4.57 115.29 123.86 2k5g s HIS 187 Ca 0.88 0.51 -0.00 0.00 0.47 0.00 0.00 55.06 56.91 2k5g s HIS 187 Cb -0.35 -4.32 0.00 0.00 -0.13 0.00 0.00 32.58 27.79 2k5g s HIS 187 CO 0.36 -2.17 0.01 1.58 -2.47 0.00 0.00 174.74 172.05 2k5g n HIS 188 N 10.47 -2.69 -3.35 3.88 -0.00 -1.26 -5.01 115.22 117.26 2k5g n HIS 188 Ca 0.14 1.60 -0.36 0.00 0.46 0.00 0.00 57.72 59.56 2k5g n HIS 188 Cb 0.50 -3.02 -0.06 0.00 -0.12 0.00 0.00 29.99 27.28 2k5g n HIS 188 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2k5g s HIS 189 N -0.34 3.64 -0.34 1.57 -3.43 -1.26 -4.97 115.29 110.16 2k5g s HIS 189 Ca -0.01 1.09 0.05 0.00 -0.80 0.00 0.00 55.06 55.39 2k5g s HIS 189 Cb 0.00 -2.39 0.13 0.00 -1.43 0.00 0.00 32.58 28.89 2k5g s HIS 189 CO 0.02 0.46 1.11 -2.39 -2.00 0.00 0.00 174.74 171.94 2k5g n HIS 190 N 0.98 0.19 -0.84 0.38 1.44 -1.26 -5.28 115.22 110.83 2k5g n HIS 190 Ca -0.06 -0.52 0.00 0.00 -2.01 0.00 0.00 57.72 55.12 2k5g n HIS 190 Cb 0.52 -0.05 0.00 0.00 0.12 0.00 0.00 29.99 30.58 2k5g n HIS 190 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14