#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5i s LYS 2 N 0.00 3.99 0.35 0.03 2.47 -1.26 0.21 119.74 125.53 2k5i s LYS 2 Ca 0.00 0.89 0.22 0.00 -1.56 0.00 0.00 55.97 55.52 2k5i s LYS 2 Cb 0.00 -3.76 1.18 0.00 -1.46 0.00 0.00 37.83 33.79 2k5i s LYS 2 CO 0.00 -0.91 1.65 1.37 0.16 0.00 0.00 175.35 177.61 2k5i h LEU 3 N 10.08 0.00 0.00 5.43 -0.00 -1.70 -1.27 115.31 127.84 2k5i h LEU 3 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.66 2k5i h LEU 3 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.73 2k5i h LEU 3 CO 1.01 0.00 0.00 -0.24 -0.00 0.00 0.00 178.44 179.21 2k5i n SER 4 N -2.29 0.00 -0.25 0.17 2.88 -1.26 -1.09 113.62 111.78 2k5i n SER 4 Ca -0.01 -0.02 0.05 0.00 -1.33 0.00 0.00 58.87 57.56 2k5i n SER 4 Cb 0.10 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.37 2k5i n SER 4 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2k5i n ARG 5 N -1.18 1.96 -2.03 -1.46 1.85 -0.48 -5.05 116.66 110.27 2k5i n ARG 5 Ca 0.06 -0.65 -0.42 0.00 -1.00 0.00 0.00 57.85 55.84 2k5i n ARG 5 Cb 0.06 -1.10 -0.03 0.00 -1.05 0.00 0.00 32.46 30.34 2k5i n ARG 5 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2k5i s LEU 6 N -1.60 4.37 0.14 2.89 2.96 -0.25 -4.67 118.68 122.51 2k5i s LEU 6 Ca 0.09 2.51 -0.31 0.00 -0.22 0.00 0.00 54.13 56.20 2k5i s LEU 6 Cb 0.08 -3.59 -0.08 0.00 0.50 0.00 0.00 46.19 43.11 2k5i s LEU 6 CO 0.26 -0.76 1.30 -0.69 -1.32 0.00 0.00 176.35 175.13 2k5i s VAL 7 N 1.11 3.47 -0.36 1.68 1.01 -1.26 -4.91 120.40 121.14 2k5i s VAL 7 Ca 0.68 1.13 -0.27 0.00 0.00 0.00 0.00 61.98 63.51 2k5i s VAL 7 Cb -0.41 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.19 2k5i s VAL 7 CO 0.31 0.13 2.33 -0.81 0.00 0.00 0.00 175.10 177.05 2k5i n PRO 8 N 3.33 1.48 0.00 2.72 -0.04 -1.26 -1.47 135.00 139.77 2k5i n PRO 8 Ca 0.08 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 2k5i n PRO 8 Cb 0.44 -3.33 0.00 0.00 -0.04 0.00 0.00 33.50 30.56 2k5i n PRO 8 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k5i n GLY 9 N 5.91 1.05 3.60 0.55 0.00 0.15 -4.91 105.19 111.54 2k5i n GLY 9 Ca 0.34 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.99 2k5i n GLY 9 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k5i s VAL 10 N -1.38 5.05 0.25 1.61 1.01 -0.54 -5.01 120.40 121.39 2k5i s VAL 10 Ca 0.00 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 2k5i s VAL 10 Cb 0.00 -3.35 -0.09 0.00 0.00 0.00 0.00 36.38 32.94 2k5i s VAL 10 CO 0.00 0.35 1.01 -2.84 0.00 0.00 0.00 175.10 173.62 2k5i s PRO 11 N 1.15 4.75 0.33 2.72 0.02 -1.26 -3.59 135.00 139.13 2k5i s PRO 11 Ca 0.06 1.63 0.07 0.00 0.02 0.00 0.00 61.00 62.78 2k5i s PRO 11 Cb -0.14 -3.24 -0.03 0.00 0.02 0.00 0.00 34.50 31.11 2k5i s PRO 11 CO 0.05 0.37 0.28 0.00 -0.33 0.00 0.00 177.00 177.37 2k5i s ALA 12 N -1.11 1.85 -0.01 -1.55 0.00 0.13 -0.91 121.76 120.17 2k5i s ALA 12 Ca 0.43 -2.07 0.00 0.00 0.00 0.00 0.00 51.96 50.32 2k5i s ALA 12 Cb -0.29 1.48 0.01 0.00 0.00 0.00 0.00 23.12 24.32 2k5i s ALA 12 CO 0.36 -0.67 -0.01 0.50 0.00 0.00 0.00 175.76 175.94 2k5i s ARG 13 N -3.43 0.13 -0.11 0.00 3.52 -0.01 -0.66 118.95 118.39 2k5i s ARG 13 Ca 0.41 -0.00 -0.29 0.00 -0.13 0.00 0.00 55.73 55.71 2k5i s ARG 13 Cb 0.02 -0.19 -0.05 0.00 -1.56 0.00 0.00 34.95 33.17 2k5i s ARG 13 CO 0.28 -0.02 1.82 0.42 -0.81 0.00 0.00 175.30 176.99 2k5i s ILE 14 N 0.26 3.38 -0.09 4.11 -1.09 0.40 -2.00 121.20 126.17 2k5i s ILE 14 Ca -0.02 0.44 -0.06 0.00 -2.23 0.00 0.00 60.65 58.77 2k5i s ILE 14 Cb -0.04 -3.35 -0.02 0.00 -1.58 0.00 0.00 42.46 37.47 2k5i s ILE 14 CO -0.01 -0.11 -0.12 0.29 -1.23 0.00 0.00 174.94 173.76 2k5i n LYS 15 N 7.68 0.30 -3.76 2.79 4.76 0.45 -1.83 118.16 128.55 2k5i n LYS 15 Ca 0.21 0.41 -0.13 0.00 -2.87 0.00 0.00 58.31 55.93 2k5i n LYS 15 Cb 0.43 -1.35 -0.10 0.00 -1.84 0.00 0.00 35.03 32.17 2k5i n LYS 15 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2k5i s ARG 16 N -1.84 0.43 -0.35 1.97 1.70 -1.02 -4.64 118.95 115.21 2k5i s ARG 16 Ca -0.10 0.34 -0.01 0.00 -0.47 0.00 0.00 55.73 55.48 2k5i s ARG 16 Cb 0.01 0.20 0.08 0.00 -0.57 0.00 0.00 34.95 34.68 2k5i s ARG 16 CO 0.15 -0.07 0.09 -0.51 -1.08 0.00 0.00 175.30 173.88 2k5i s LEU 17 N -0.09 4.58 -1.09 -1.89 1.02 -1.26 -0.68 118.68 119.26 2k5i s LEU 17 Ca -0.02 -1.72 -0.10 0.00 0.02 0.00 0.00 54.13 52.30 2k5i s LEU 17 Cb -0.03 -1.74 0.26 0.00 0.02 0.00 0.00 46.19 44.70 2k5i s LEU 17 CO 0.01 -0.39 1.09 -1.83 0.02 0.00 0.00 176.35 175.25 2k5i s GLU 18 N 1.15 4.13 0.04 1.70 -1.05 -0.58 -4.98 118.70 119.12 2k5i s GLU 18 Ca 0.03 -3.09 -0.16 0.00 -0.15 0.00 0.00 54.97 51.59 2k5i s GLU 18 Cb -0.21 -4.57 0.03 0.00 -0.44 0.00 0.00 34.13 28.94 2k5i s GLU 18 CO -0.04 -1.28 0.37 0.54 0.95 0.00 0.00 175.26 175.80 2k5i s VAL 19 N -0.92 0.07 0.86 1.83 0.11 -1.26 -4.83 120.40 116.25 2k5i s VAL 19 Ca 0.30 -0.55 -0.11 0.00 -2.93 0.00 0.00 61.98 58.69 2k5i s VAL 19 Cb -0.10 -0.95 0.11 0.00 -1.53 0.00 0.00 36.38 33.91 2k5i s VAL 19 CO -0.08 -0.30 1.09 -0.94 -3.33 0.00 0.00 175.10 171.54 2k5i s SER 20 N -2.04 3.79 0.41 3.54 1.04 -1.26 -4.69 113.70 114.50 2k5i s SER 20 Ca -0.05 1.62 0.13 0.00 0.48 0.00 0.00 55.95 58.13 2k5i s SER 20 Cb -0.01 -2.30 0.96 0.00 0.10 0.00 0.00 66.02 64.77 2k5i s SER 20 CO -0.03 -2.46 1.94 1.23 0.98 0.00 0.00 173.24 174.90 2k5i h GLY 21 N -1.42 0.78 0.12 7.32 0.00 -2.02 0.72 103.07 108.57 2k5i h GLY 21 Ca -0.47 -0.21 0.04 0.00 0.00 0.00 0.00 47.33 46.68 2k5i h GLY 21 CO 0.53 0.10 -0.37 0.83 0.00 0.00 0.00 176.54 177.63 2k5i h GLU 22 N 0.51 -0.45 0.08 4.80 5.08 -2.01 0.41 114.58 122.99 2k5i h GLU 22 Ca 0.35 0.03 -0.27 0.00 -1.00 0.00 0.00 59.36 58.47 2k5i h GLU 22 Cb 0.65 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2k5i h GLU 22 CO -0.12 -0.30 -1.30 1.25 -1.00 0.00 0.00 179.01 177.55 2k5i h LEU 23 N -0.47 0.26 -1.28 1.33 5.85 -1.88 -3.36 115.31 115.76 2k5i h LEU 23 Ca 0.08 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.45 2k5i h LEU 23 Cb 0.60 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2k5i h LEU 23 CO -0.36 1.25 0.05 -0.74 -0.34 0.00 0.00 178.44 178.30 2k5i h HIS 24 N 0.04 0.55 -0.40 1.25 2.76 -0.56 -2.66 115.15 116.13 2k5i h HIS 24 Ca -0.14 -0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 57.96 2k5i h HIS 24 Cb 1.93 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 30.71 2k5i h HIS 24 CO 0.04 0.51 0.14 1.05 -1.30 0.00 0.00 177.93 178.37 2k5i h GLU 25 N 0.52 0.61 -0.21 5.26 4.11 -1.06 -1.19 114.58 122.62 2k5i h GLU 25 Ca 0.12 -0.12 -0.11 0.00 0.07 0.00 0.00 59.36 59.32 2k5i h GLU 25 Cb 0.26 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2k5i h GLU 25 CO 0.00 0.59 -0.34 1.57 0.07 0.00 0.00 179.01 180.91 2k5i h LYS 26 N 0.50 0.45 0.35 1.06 2.10 -1.72 -0.26 116.57 119.05 2k5i h LYS 26 Ca 0.13 -0.20 -0.01 0.00 -2.00 0.00 0.00 60.65 58.58 2k5i h LYS 26 Cb 0.22 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.53 2k5i h LYS 26 CO -0.01 0.73 -0.26 -0.07 -2.00 0.00 0.00 179.45 177.85 2k5i h LEU 27 N 0.38 -0.66 -1.43 7.07 3.38 -1.11 0.74 115.31 123.68 2k5i h LEU 27 Ca 0.04 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2k5i h LEU 27 Cb 0.78 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2k5i h LEU 27 CO 0.06 -0.39 -0.24 -0.37 0.09 0.00 0.00 178.44 177.59 2k5i h VAL 28 N -0.60 1.19 -0.38 1.22 -1.51 -1.19 0.24 116.25 115.23 2k5i h VAL 28 Ca -0.03 -0.91 -0.03 0.00 -1.23 0.00 0.00 66.70 64.50 2k5i h VAL 28 Cb 0.52 1.43 -0.02 0.00 -2.13 0.00 0.00 31.29 31.09 2k5i h VAL 28 CO 0.01 0.27 0.10 1.23 -1.23 0.00 0.00 177.57 177.94 2k5i h GLY 29 N 0.80 0.59 1.33 5.19 0.00 -0.55 -3.02 103.07 107.41 2k5i h GLY 29 Ca 0.01 -0.30 -0.29 0.00 0.00 0.00 0.00 47.33 46.75 2k5i h GLY 29 CO 0.03 0.28 -1.47 -0.33 0.00 0.00 0.00 176.54 175.06 2k5i h MET 30 N 0.54 0.22 0.00 4.80 2.86 -0.09 -3.48 114.93 119.77 2k5i h MET 30 Ca 0.13 -0.37 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 2k5i h MET 30 Cb 0.19 0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.99 2k5i h MET 30 CO -0.01 1.08 0.00 0.41 1.06 0.00 0.00 176.91 179.45 2k5i n GLY 31 N 1.62 0.37 3.56 8.32 0.00 0.09 -4.99 105.19 114.16 2k5i n GLY 31 Ca -0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 2k5i n GLY 31 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k5i s PHE 32 N 0.00 1.77 0.04 1.61 0.08 0.64 -4.89 117.98 117.23 2k5i s PHE 32 Ca 0.00 0.73 0.05 0.00 0.12 0.00 0.00 56.93 57.83 2k5i s PHE 32 Cb 0.00 -3.99 -0.02 0.00 -0.57 0.00 0.00 43.02 38.44 2k5i s PHE 32 CO 0.00 -1.64 -0.15 0.14 -0.10 0.00 0.00 175.22 173.47 2k5i s VAL 33 N 10.64 1.18 -0.07 -0.44 -7.23 -1.26 -3.41 120.40 119.81 2k5i s VAL 33 Ca 0.72 -1.02 -0.29 0.00 -1.81 0.00 0.00 61.98 59.58 2k5i s VAL 33 Cb -0.06 -1.06 -0.07 0.00 0.56 0.00 0.00 36.38 35.75 2k5i s VAL 33 CO 0.02 0.03 2.05 -2.16 -0.31 0.00 0.00 175.10 174.74 2k5i s PRO 34 N -1.13 3.73 0.00 4.82 0.04 -1.26 -2.79 135.00 138.40 2k5i s PRO 34 Ca 0.02 2.35 0.00 0.00 0.04 0.00 0.00 61.00 63.41 2k5i s PRO 34 Cb -0.08 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 30.22 2k5i s PRO 34 CO 0.01 -1.42 0.00 0.41 0.04 0.00 0.00 177.00 176.04 2k5i n GLY 35 N 5.03 1.98 3.83 0.56 0.00 -0.76 -5.04 105.19 110.79 2k5i n GLY 35 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 2k5i n GLY 35 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k5i s GLU 36 N 0.00 3.90 0.14 1.61 0.41 -1.12 -4.76 118.70 118.88 2k5i s GLU 36 Ca 0.00 1.01 -0.24 0.00 -0.41 0.00 0.00 54.97 55.33 2k5i s GLU 36 Cb 0.00 -2.13 -0.08 0.00 -1.78 0.00 0.00 34.13 30.15 2k5i s GLU 36 CO 0.00 -0.31 0.72 -1.21 -0.49 0.00 0.00 175.26 173.97 2k5i s GLU 37 N -3.97 4.47 -0.08 1.61 8.01 -1.26 -0.45 118.70 127.03 2k5i s GLU 37 Ca 0.60 1.04 -0.07 0.00 0.01 0.00 0.00 54.97 56.55 2k5i s GLU 37 Cb -0.11 -3.26 0.02 0.00 -4.31 0.00 0.00 34.13 26.48 2k5i s GLU 37 CO 0.30 0.59 0.20 -1.50 0.01 0.00 0.00 175.26 174.86 2k5i s ILE 38 N -1.12 0.00 -0.01 -1.63 2.07 0.17 -0.41 121.20 120.26 2k5i s ILE 38 Ca 0.34 -0.01 0.02 0.00 -1.41 0.00 0.00 60.65 59.58 2k5i s ILE 38 Cb -0.22 -0.30 0.00 0.00 0.13 0.00 0.00 42.46 42.08 2k5i s ILE 38 CO 0.24 -0.01 -0.06 -1.83 -1.91 0.00 0.00 174.94 171.38 2k5i s GLU 39 N 0.08 0.55 -0.44 3.50 -1.05 -0.80 0.18 118.70 120.71 2k5i s GLU 39 Ca -0.00 -0.18 -0.28 0.00 -0.15 0.00 0.00 54.97 54.36 2k5i s GLU 39 Cb -0.02 -0.55 0.03 0.00 -0.44 0.00 0.00 34.13 33.15 2k5i s GLU 39 CO 0.00 0.08 1.05 0.42 0.95 0.00 0.00 175.26 177.76 2k5i s ILE 40 N 0.11 4.36 -0.11 1.83 -1.09 -1.24 -0.20 121.20 124.87 2k5i s ILE 40 Ca -0.01 1.16 -0.26 0.00 -2.23 0.00 0.00 60.65 59.31 2k5i s ILE 40 Cb -0.05 -4.51 -0.28 0.00 -1.58 0.00 0.00 42.46 36.04 2k5i s ILE 40 CO -0.00 -0.84 0.79 0.58 -1.23 0.00 0.00 174.94 174.24 2k5i h VAL 41 N 6.08 1.66 -2.81 2.92 2.07 -1.01 0.42 116.25 125.57 2k5i h VAL 41 Ca -0.23 -2.41 -0.09 0.00 0.82 0.00 0.00 66.70 64.78 2k5i h VAL 41 Cb 1.07 3.28 -0.19 0.00 -1.52 0.00 0.00 31.29 33.93 2k5i h VAL 41 CO 1.07 0.64 -0.13 0.00 0.02 0.00 0.00 177.57 179.17 2k5i s GLN 42 N -2.30 0.82 -0.12 1.57 -2.07 -1.22 -4.21 119.66 112.13 2k5i s GLN 42 Ca -0.17 -0.14 -0.01 0.00 -1.82 0.00 0.00 55.36 53.21 2k5i s GLN 42 Cb -0.01 0.37 -0.03 0.00 -1.09 0.00 0.00 33.01 32.25 2k5i s GLN 42 CO 0.74 -0.25 -0.06 0.08 -1.32 0.00 0.00 175.29 174.48 2k5i s VAL 43 N -1.61 3.71 0.43 3.63 1.01 -1.26 -1.29 120.40 125.02 2k5i s VAL 43 Ca -0.11 -0.45 -0.26 0.00 0.00 0.00 0.00 61.98 61.17 2k5i s VAL 43 Cb -0.03 -2.57 -0.09 0.00 0.00 0.00 0.00 36.38 33.69 2k5i s VAL 43 CO 0.04 0.54 1.42 0.00 0.00 0.00 0.00 175.10 177.10 2k5i n ALA 44 N 3.03 1.99 0.20 5.51 0.00 -0.94 -4.86 120.51 125.43 2k5i n ALA 44 Ca -0.18 0.27 0.12 0.00 0.00 0.00 0.00 53.44 53.65 2k5i n ALA 44 Cb 0.53 -2.38 0.64 0.00 0.00 0.00 0.00 19.45 18.23 2k5i n ALA 44 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2k5i h PRO 45 N 2.37 0.00 -0.00 0.00 0.13 -1.91 0.58 132.00 133.17 2k5i h PRO 45 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2k5i h PRO 45 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2k5i h PRO 45 CO 0.61 0.00 -0.23 1.28 -0.23 0.00 0.00 178.00 179.43 2k5i n LEU 46 N -2.37 0.35 0.00 1.56 4.32 -1.26 -4.93 117.00 114.68 2k5i n LEU 46 Ca -0.02 0.15 0.00 0.00 -0.02 0.00 0.00 56.01 56.13 2k5i n LEU 46 Cb 0.14 -0.31 0.00 0.00 -1.62 0.00 0.00 43.42 41.63 2k5i n LEU 46 CO 0.10 0.08 0.00 0.61 -1.22 0.00 0.00 177.39 176.96 2k5i n GLY 47 N 1.44 2.91 3.65 -0.72 0.00 0.20 -5.04 105.19 107.64 2k5i n GLY 47 Ca 0.08 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 45.05 2k5i n GLY 47 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k5i s ASP 48 N -0.03 -0.23 0.83 1.61 -4.77 -1.25 -4.63 116.67 108.20 2k5i s ASP 48 Ca 0.00 -0.63 -0.12 0.00 -3.30 0.00 0.00 52.55 48.50 2k5i s ASP 48 Cb 0.00 0.63 0.09 0.00 -1.09 0.00 0.00 42.92 42.55 2k5i s ASP 48 CO 0.00 -1.18 1.12 -2.16 0.70 0.00 0.00 175.17 173.65 2k5i s PRO 49 N -3.92 1.79 -0.12 2.11 0.04 -1.26 -4.72 135.00 128.91 2k5i s PRO 49 Ca 0.13 0.47 -0.07 0.00 0.04 0.00 0.00 61.00 61.58 2k5i s PRO 49 Cb -0.03 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 2k5i s PRO 49 CO 0.03 -1.79 0.12 0.96 0.04 0.00 0.00 177.00 176.37 2k5i s ILE 50 N -3.24 5.36 -0.38 0.56 -0.00 -0.28 -2.22 121.20 121.01 2k5i s ILE 50 Ca 0.62 0.16 -0.17 0.00 -0.00 0.00 0.00 60.65 61.25 2k5i s ILE 50 Cb -0.14 -3.34 0.00 0.00 -0.00 0.00 0.00 42.46 38.98 2k5i s ILE 50 CO 0.53 0.60 0.45 -0.69 -0.00 0.00 0.00 174.94 175.84 2k5i s VAL 51 N -0.86 5.07 -0.09 8.37 1.01 -0.41 -1.39 120.40 132.11 2k5i s VAL 51 Ca 0.14 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.17 2k5i s VAL 51 Cb -0.12 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.30 2k5i s VAL 51 CO 0.03 -0.27 -0.21 0.00 0.00 0.00 0.00 175.10 174.64 2k5i s LYS 53 N 0.33 3.33 -0.70 0.00 1.02 0.72 -0.11 119.74 124.34 2k5i s LYS 53 Ca -0.16 -0.29 -0.20 0.00 0.02 0.00 0.00 55.97 55.34 2k5i s LYS 53 Cb -0.17 -4.01 0.10 0.00 -0.52 0.00 0.00 37.83 33.23 2k5i s LYS 53 CO 0.07 -1.28 0.91 0.42 -0.92 0.00 0.00 175.35 174.55 2k5i s ILE 54 N 3.45 4.61 0.00 2.17 1.01 -0.22 -1.90 121.20 130.31 2k5i s ILE 54 Ca 0.28 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 60.03 2k5i s ILE 54 Cb -0.13 -4.64 0.00 0.00 0.01 0.00 0.00 42.46 37.70 2k5i s ILE 54 CO 0.20 -1.36 0.00 0.61 0.00 0.00 0.00 174.94 174.39 2k5i n GLY 55 N 5.31 0.07 0.13 6.18 0.00 0.45 -2.71 105.19 114.61 2k5i n GLY 55 Ca 0.01 0.52 -0.22 0.00 0.00 0.00 0.00 46.02 46.33 2k5i n GLY 55 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k5i n ASN 56 N 0.64 1.99 -4.31 1.61 3.02 -1.26 -5.06 115.26 111.89 2k5i n ASN 56 Ca 0.00 0.13 -0.18 0.00 -0.03 0.00 0.00 54.58 54.49 2k5i n ASN 56 Cb 0.00 -0.68 -0.10 0.00 -0.61 0.00 0.00 39.78 38.38 2k5i n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k5i s ARG 57 N -2.51 1.24 -0.10 3.52 1.70 -1.10 -5.12 118.95 116.57 2k5i s ARG 57 Ca -0.32 -1.49 -0.26 0.00 -0.47 0.00 0.00 55.73 53.19 2k5i s ARG 57 Cb 0.10 -1.05 -0.02 0.00 -0.57 0.00 0.00 34.95 33.40 2k5i s ARG 57 CO 0.61 0.18 0.85 -0.80 -1.08 0.00 0.00 175.30 175.06 2k5i s ASN 58 N -3.06 7.08 -0.09 -2.89 -0.87 -1.26 -1.05 114.94 112.79 2k5i s ASN 58 Ca 0.19 1.32 0.04 0.00 -1.57 0.00 0.00 52.86 52.83 2k5i s ASN 58 Cb -0.02 -2.48 0.00 0.00 -0.02 0.00 0.00 41.25 38.73 2k5i s ASN 58 CO 0.05 -0.31 -0.23 -0.63 -2.57 0.00 0.00 177.10 173.42 2k5i s ILE 59 N 1.59 1.94 -0.25 0.60 -1.09 0.85 -4.97 121.20 119.87 2k5i s ILE 59 Ca 0.42 -0.96 -0.21 0.00 -2.23 0.00 0.00 60.65 57.68 2k5i s ILE 59 Cb -0.18 -1.68 -0.02 0.00 -1.58 0.00 0.00 42.46 39.00 2k5i s ILE 59 CO 0.17 0.54 0.64 -0.89 -1.23 0.00 0.00 174.94 174.17 2k5i s THR 60 N 0.33 4.98 -0.10 2.92 2.01 -1.26 -0.94 115.64 123.58 2k5i s THR 60 Ca -0.17 1.16 0.02 0.00 0.31 0.00 0.00 61.69 63.01 2k5i s THR 60 Cb -0.17 -3.94 0.01 0.00 0.01 0.00 0.00 72.50 68.41 2k5i s THR 60 CO 0.08 0.03 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.66 2k5i s LEU 61 N 2.45 1.77 0.34 4.42 1.98 -0.48 -4.99 118.68 124.18 2k5i s LEU 61 Ca 0.27 -0.42 -0.26 0.00 -2.89 0.00 0.00 54.13 50.83 2k5i s LEU 61 Cb -0.16 -1.08 -0.10 0.00 0.66 0.00 0.00 46.19 45.52 2k5i s LEU 61 CO 0.09 0.05 0.99 -0.13 -1.89 0.00 0.00 176.35 175.46 2k5i s ARG 62 N 0.79 4.47 0.16 1.98 1.81 -1.26 -1.12 118.95 125.77 2k5i s ARG 62 Ca -0.11 1.44 -0.19 0.00 -1.72 0.00 0.00 55.73 55.16 2k5i s ARG 62 Cb -0.16 -2.77 0.08 0.00 -0.45 0.00 0.00 34.95 31.65 2k5i s ARG 62 CO 0.02 0.15 1.65 0.87 -0.68 0.00 0.00 175.30 177.30 2k5i h LYS 63 N 3.06 -0.10 -0.62 3.54 1.57 -1.95 -0.50 116.57 121.58 2k5i h LYS 63 Ca -0.47 0.01 0.18 0.00 -1.87 0.00 0.00 60.65 58.50 2k5i h LYS 63 Cb 1.20 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 2k5i h LYS 63 CO 0.64 -0.06 0.58 0.07 -0.57 0.00 0.00 179.45 180.11 2k5i h ARG 64 N -0.10 0.00 0.19 3.15 0.11 -2.00 0.60 114.38 116.32 2k5i h ARG 64 Ca 0.18 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.94 2k5i h ARG 64 Cb 0.38 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.47 2k5i h ARG 64 CO -0.43 0.00 -1.50 0.93 0.10 0.00 0.00 179.97 179.07 2k5i h GLU 65 N 0.00 0.39 -0.17 0.08 5.08 -1.50 -3.35 114.58 115.12 2k5i h GLU 65 Ca 0.30 -0.67 -0.08 0.00 -1.00 0.00 0.00 59.36 57.90 2k5i h GLU 65 Cb 1.44 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.93 2k5i h GLU 65 CO -0.00 1.30 -0.25 0.00 -1.00 0.00 0.00 179.01 179.06 2k5i h ALA 66 N 0.31 1.28 0.00 3.43 0.00 0.66 -3.01 119.26 121.93 2k5i h ALA 66 Ca -0.25 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2k5i h ALA 66 Cb 2.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.78 2k5i h ALA 66 CO 0.22 0.48 0.01 -0.25 0.00 0.00 0.00 179.25 179.71 2k5i n ASP 67 N -4.15 0.00 -0.15 0.00 8.00 -0.01 -1.81 116.55 118.43 2k5i n ASP 67 Ca -0.01 0.40 0.04 0.00 0.71 0.00 0.00 54.79 55.93 2k5i n ASP 67 Cb 0.37 -0.40 -0.01 0.00 -0.02 0.00 0.00 41.12 41.06 2k5i n ASP 67 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2k5i n LEU 68 N -1.40 0.94 -4.52 0.64 4.77 -1.13 -4.99 117.00 111.31 2k5i n LEU 68 Ca 0.00 -0.73 -0.34 0.00 -0.03 0.00 0.00 56.01 54.91 2k5i n LEU 68 Cb 0.01 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.98 2k5i n LEU 68 CO 0.00 0.20 -0.37 -0.63 -1.33 0.00 0.00 177.39 175.26 2k5i s ILE 69 N -1.21 3.76 -0.07 -0.08 1.09 -0.75 -1.52 121.20 122.42 2k5i s ILE 69 Ca 0.06 -0.42 0.01 0.00 -1.10 0.00 0.00 60.65 59.20 2k5i s ILE 69 Cb 0.06 -2.60 -0.03 0.00 -1.06 0.00 0.00 42.46 38.83 2k5i s ILE 69 CO 0.20 0.54 -0.09 -0.70 -0.10 0.00 0.00 174.94 174.79 2k5i s GLU 70 N -0.06 2.76 0.33 2.79 2.12 0.14 -2.57 118.70 124.21 2k5i s GLU 70 Ca 0.01 -0.59 0.03 0.00 0.36 0.00 0.00 54.97 54.79 2k5i s GLU 70 Cb -0.13 -2.56 -0.01 0.00 0.26 0.00 0.00 34.13 31.69 2k5i s GLU 70 CO 0.03 0.62 0.12 1.33 -0.54 0.00 0.00 175.26 176.81 2k5i n VAL 71 N 2.36 0.00 -3.83 3.70 0.24 0.13 -0.41 118.33 120.51 2k5i n VAL 71 Ca -0.18 -1.94 -0.12 0.00 -2.04 0.00 0.00 64.34 60.07 2k5i n VAL 71 Cb 0.53 0.70 -0.10 0.00 -1.47 0.00 0.00 33.84 33.50 2k5i n VAL 71 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2k5i s GLU 72 N -3.27 0.48 0.26 7.34 -1.05 -0.85 -2.56 118.70 119.06 2k5i s GLU 72 Ca 0.17 -0.21 -0.30 0.00 -0.15 0.00 0.00 54.97 54.48 2k5i s GLU 72 Cb 0.01 0.21 -0.10 0.00 -0.44 0.00 0.00 34.13 33.80 2k5i s GLU 72 CO 0.12 -0.11 1.40 0.08 0.95 0.00 0.00 175.26 177.70 2k5i s VAL 73 N -1.07 2.72 -0.99 1.83 1.01 -1.26 -0.83 120.40 121.82 2k5i s VAL 73 Ca -0.11 0.63 -0.21 0.00 0.00 0.00 0.00 61.98 62.29 2k5i s VAL 73 Cb -0.06 -3.40 0.09 0.00 0.00 0.00 0.00 36.38 33.01 2k5i s VAL 73 CO 0.02 0.11 1.31 -0.69 0.00 0.00 0.00 175.10 175.85 2k5i s VAL 74 N -0.23 4.30 0.00 2.92 1.01 -0.08 -4.74 120.40 123.59 2k5i s VAL 74 Ca 0.57 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 61.36 2k5i s VAL 74 Cb -0.41 -4.94 0.00 0.00 0.00 0.00 0.00 36.38 31.04 2k5i s VAL 74 CO 0.45 -1.74 0.00 0.61 0.00 0.00 0.00 175.10 174.41 2k5i n GLY 75 N 6.18 -0.43 0.00 4.51 0.00 -1.26 -4.89 105.19 109.30 2k5i n GLY 75 Ca 0.29 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.55 2k5i n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5i n GLY 76 N 0.00 0.29 3.26 -0.02 0.00 -1.26 -5.14 105.19 102.32 2k5i n GLY 76 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2k5i n GLY 76 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k5i s GLU 77 N 0.00 1.16 -0.16 1.61 1.03 -1.26 -4.69 118.70 116.39 2k5i s GLU 77 Ca 0.00 -1.56 -0.23 0.00 0.03 0.00 0.00 54.97 53.22 2k5i s GLU 77 Cb 0.00 -0.41 0.06 0.00 -0.80 0.00 0.00 34.13 32.98 2k5i s GLU 77 CO 0.00 -0.09 0.59 -0.48 -1.33 0.00 0.00 175.26 173.95 2k5i s LEU 78 N -3.21 -0.26 0.87 1.83 2.34 0.29 -4.97 118.68 115.57 2k5i s LEU 78 Ca 0.24 0.96 -0.11 0.00 0.06 0.00 0.00 54.13 55.28 2k5i s LEU 78 Cb 0.05 2.09 0.12 0.00 -0.56 0.00 0.00 46.19 47.90 2k5i s LEU 78 CO 0.05 -0.34 1.18 -2.84 -1.06 0.00 0.00 176.35 173.33 2k5i s PRO 79 N -0.24 1.25 0.54 1.48 0.02 -1.26 -0.54 135.00 136.24 2k5i s PRO 79 Ca -0.04 1.65 0.24 0.00 0.02 0.00 0.00 61.00 62.87 2k5i s PRO 79 Cb -0.03 -1.74 1.40 0.00 0.02 0.00 0.00 34.50 34.15 2k5i s PRO 79 CO 0.04 -2.48 2.04 -0.07 -0.33 0.00 0.00 177.00 176.19 2k5i h LEU 80 N -1.47 0.00 -1.02 -5.54 3.38 -0.53 0.22 115.31 110.35 2k5i h LEU 80 Ca -0.44 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.43 2k5i h LEU 80 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 2k5i h LEU 80 CO 0.43 0.00 -0.37 -0.29 0.09 0.00 0.00 178.44 178.30 2k5i h ILE 81 N 0.00 1.29 0.00 1.22 6.09 -1.83 -2.89 117.51 121.39 2k5i h ILE 81 Ca 0.17 -1.41 -0.09 0.00 -1.37 0.00 0.00 64.86 62.17 2k5i h ILE 81 Cb 0.72 1.61 -0.01 0.00 0.47 0.00 0.00 36.82 39.61 2k5i h ILE 81 CO -0.00 0.42 -0.66 -0.07 -3.07 0.00 0.00 178.15 174.77 2k5i h LEU 82 N 0.20 0.00 -8.97 2.19 3.38 -0.95 -3.47 115.31 107.69 2k5i h LEU 82 Ca 0.02 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.29 2k5i h LEU 82 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2k5i h LEU 82 CO 0.06 0.36 1.09 0.00 0.09 0.00 0.00 178.44 180.04 2k5i n ALA 83 N -2.23 0.34 -1.00 1.53 0.00 0.05 -4.93 120.51 114.28 2k5i n ALA 83 Ca -0.00 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2k5i n ALA 83 Cb 0.70 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.79 2k5i n ALA 83 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k5i n ASP 84 N 6.87 0.00 -4.77 0.00 9.92 -1.26 -5.02 116.55 122.29 2k5i n ASP 84 Ca 0.31 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 54.27 2k5i n ASP 84 Cb 0.18 0.00 0.11 0.00 -0.64 0.00 0.00 41.12 40.76 2k5i n ASP 84 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 2k5i s ASP 85 N -1.64 4.16 0.00 -2.24 -4.77 -1.26 -4.90 116.67 106.01 2k5i s ASP 85 Ca 0.00 1.46 0.00 0.00 -3.30 0.00 0.00 52.55 50.71 2k5i s ASP 85 Cb 0.00 -2.18 0.00 0.00 -1.09 0.00 0.00 42.92 39.65 2k5i s ASP 85 CO 0.00 -2.20 0.00 0.61 0.70 0.00 0.00 175.17 174.28 2k5i n GLY 86 N -1.60 -1.66 3.82 2.12 0.00 -1.26 -4.86 105.19 101.74 2k5i n GLY 86 Ca 0.07 -1.82 -0.38 0.00 0.00 0.00 0.00 46.02 43.89 2k5i n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k5i s THR 87 N 0.00 5.12 0.28 2.61 2.01 -1.26 -3.39 115.64 121.00 2k5i s THR 87 Ca 0.00 0.75 0.04 0.00 0.31 0.00 0.00 61.69 62.79 2k5i s THR 87 Cb 0.00 -3.68 -0.06 0.00 0.01 0.00 0.00 72.50 68.78 2k5i s THR 87 CO 0.00 0.55 0.02 -0.31 -0.69 0.00 0.00 174.62 174.19 2k5i s TYR 88 N -0.82 1.80 -0.05 4.92 1.51 -0.54 -2.90 117.35 121.26 2k5i s TYR 88 Ca 0.22 -0.91 0.02 0.00 -1.01 0.00 0.00 57.07 55.39 2k5i s TYR 88 Cb -0.16 -1.10 0.02 0.00 -0.11 0.00 0.00 41.96 40.61 2k5i s TYR 88 CO 0.11 0.03 -0.09 -2.00 -1.11 0.00 0.00 175.55 172.49 2k5i s GLU 89 N -3.86 1.30 0.09 -0.62 2.12 -0.74 -0.08 118.70 116.92 2k5i s GLU 89 Ca 0.32 -0.28 -0.31 0.00 0.36 0.00 0.00 54.97 55.07 2k5i s GLU 89 Cb 0.07 -1.14 -0.07 0.00 0.26 0.00 0.00 34.13 33.25 2k5i s GLU 89 CO 0.12 -0.01 1.30 -1.50 -0.54 0.00 0.00 175.26 174.63 2k5i s ILE 90 N 0.75 3.63 -0.00 -3.70 2.07 -0.94 -0.86 121.20 122.14 2k5i s ILE 90 Ca -0.13 1.18 0.00 0.00 -1.41 0.00 0.00 60.65 60.29 2k5i s ILE 90 Cb -0.15 -3.75 -0.00 0.00 0.13 0.00 0.00 42.46 38.68 2k5i s ILE 90 CO 0.02 0.09 -0.00 1.07 -1.91 0.00 0.00 174.94 174.21 2k5i n THR 91 N 3.92 0.03 -3.63 4.00 5.66 -0.43 -1.74 114.28 122.08 2k5i n THR 91 Ca 0.10 -0.02 -0.15 0.00 -3.05 0.00 0.00 64.05 60.94 2k5i n THR 91 Cb 0.44 -0.78 -0.07 0.00 -1.55 0.00 0.00 70.33 68.37 2k5i n THR 91 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 2k5i s LYS 92 N -2.01 0.90 0.19 1.09 -2.85 -1.15 -4.91 119.74 110.99 2k5i s LYS 92 Ca -0.00 -0.04 0.08 0.00 -1.00 0.00 0.00 55.97 55.00 2k5i s LYS 92 Cb 0.00 0.41 -0.04 0.00 -2.06 0.00 0.00 37.83 36.14 2k5i s LYS 92 CO 0.02 -0.28 0.00 -0.51 0.10 0.00 0.00 175.35 174.68 2k5i s LEU 93 N -1.43 3.30 -0.29 2.77 2.01 -1.26 -1.24 118.68 122.54 2k5i s LEU 93 Ca -0.11 -0.43 0.02 0.00 0.01 0.00 0.00 54.13 53.63 2k5i s LEU 93 Cb -0.02 -1.94 0.08 0.00 0.01 0.00 0.00 46.19 44.32 2k5i s LEU 93 CO 0.05 0.08 0.02 0.20 1.01 0.00 0.00 176.35 177.70 2k5i s ASN 94 N -3.05 4.27 0.00 2.29 0.02 0.74 -4.96 114.94 114.25 2k5i s ASN 94 Ca 0.28 -1.66 0.00 0.00 -1.02 0.00 0.00 52.86 50.46 2k5i s ASN 94 Cb -0.09 -1.29 0.00 0.00 0.02 0.00 0.00 41.25 39.89 2k5i s ASN 94 CO 0.19 -0.33 0.00 0.61 0.02 0.00 0.00 177.10 177.59 2k5i n GLY 95 N 4.54 -0.80 3.94 0.66 0.00 -1.26 -4.73 105.19 107.54 2k5i n GLY 95 Ca -0.04 -1.03 -0.24 0.00 0.00 0.00 0.00 46.02 44.71 2k5i n GLY 95 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k5i s GLY 96 N 0.00 1.48 0.19 -0.02 0.00 -1.26 -4.91 107.32 102.80 2k5i s GLY 96 Ca 0.00 -0.93 -0.15 0.00 0.00 0.00 0.00 44.72 43.65 2k5i s GLY 96 CO 0.00 -0.79 1.64 -0.09 0.00 0.00 0.00 173.10 173.86 2k5i h ARG 97 N 0.49 0.01 -0.81 2.90 2.43 -2.01 0.12 114.38 117.50 2k5i h ARG 97 Ca -0.48 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 58.76 2k5i h ARG 97 Cb 1.23 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.73 2k5i h ARG 97 CO 0.59 0.00 0.53 0.07 -1.51 0.00 0.00 179.97 179.66 2k5i h ARG 98 N 0.01 0.87 -0.44 0.20 0.11 -1.99 0.20 114.38 113.34 2k5i h ARG 98 Ca 0.26 -0.05 -0.07 0.00 0.10 0.00 0.00 59.98 60.22 2k5i h ARG 98 Cb 0.40 -0.20 -0.02 0.00 1.11 0.00 0.00 29.97 31.27 2k5i h ARG 98 CO -0.55 0.58 0.01 0.35 0.10 0.00 0.00 179.97 180.46 2k5i h PHE 99 N 0.90 0.84 -0.86 4.08 3.57 -1.21 -2.08 116.94 122.18 2k5i h PHE 99 Ca 0.35 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 2k5i h PHE 99 Cb 0.21 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 2k5i h PHE 99 CO -0.00 0.82 0.51 -0.07 -2.23 0.00 0.00 178.31 177.34 2k5i h LEU 100 N 0.61 1.04 -0.38 0.59 3.38 -0.35 -1.66 115.31 118.54 2k5i h LEU 100 Ca 0.13 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.08 2k5i h LEU 100 Cb 0.47 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 2k5i h LEU 100 CO 0.02 0.80 0.08 0.15 0.09 0.00 0.00 178.44 179.58 2k5i h PHE 101 N 1.18 0.13 -0.25 1.13 3.57 -0.76 -0.00 116.94 121.94 2k5i h PHE 101 Ca 0.31 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.87 2k5i h PHE 101 Cb -0.04 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 2k5i h PHE 101 CO -0.00 0.02 0.01 0.00 -2.23 0.00 0.00 178.31 176.11 2k5i h ARG 102 N 0.21 0.09 -0.68 1.11 3.08 -0.91 -0.48 114.38 116.80 2k5i h ARG 102 Ca 0.18 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.29 2k5i h ARG 102 Cb 0.21 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.18 2k5i h ARG 102 CO -0.24 0.06 0.37 0.52 -1.07 0.00 0.00 179.97 179.62 2k5i h MET 103 N 0.10 0.66 0.00 0.04 2.86 -0.79 -0.01 114.93 117.79 2k5i h MET 103 Ca 0.12 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.66 2k5i h MET 103 Cb 0.15 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2k5i h MET 103 CO -0.19 0.44 -0.27 0.87 1.06 0.00 0.00 176.91 178.82 2k5i h LYS 104 N 0.68 0.00 -0.02 1.72 1.57 -0.54 0.12 116.57 120.11 2k5i h LYS 104 Ca 0.31 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.91 2k5i h LYS 104 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2k5i h LYS 104 CO -0.19 0.27 -0.78 -0.91 -0.57 0.00 0.00 179.45 177.26 2k5i h ASN 105 N 0.00 0.26 0.49 0.86 -0.26 0.24 -3.17 115.58 114.00 2k5i h ASN 105 Ca -0.00 -0.19 -0.18 0.00 -0.56 0.00 0.00 56.30 55.36 2k5i h ASN 105 Cb 0.52 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.69 2k5i h ASN 105 CO 0.03 0.94 -0.79 -0.07 -1.06 0.00 0.00 177.43 176.48 2k5i h LEU 106 N 0.13 0.29 0.00 1.61 -0.00 -0.43 -3.48 115.31 113.43 2k5i h LEU 106 Ca -0.03 -0.21 0.00 0.00 -0.00 0.00 0.00 57.88 57.64 2k5i h LEU 106 Cb 1.36 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.94 2k5i h LEU 106 CO 0.12 0.96 0.00 0.61 -0.00 0.00 0.00 178.44 180.13 2k5i n GLY 107 N 0.68 0.15 3.31 0.83 0.00 0.21 -4.94 105.19 105.45 2k5i n GLY 107 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 2k5i n GLY 107 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k5i s ILE 108 N -1.05 3.12 0.00 -0.61 -0.00 0.02 -4.88 121.20 117.80 2k5i s ILE 108 Ca 0.00 -0.60 0.00 0.00 -0.00 0.00 0.00 60.65 60.05 2k5i s ILE 108 Cb 0.00 -2.37 0.00 0.00 -0.00 0.00 0.00 42.46 40.09 2k5i s ILE 108 CO 0.00 0.47 0.00 -1.84 -0.00 0.00 0.00 174.94 173.57 2k5i n GLU 109 N 4.29 0.00 -3.56 0.37 0.00 -1.26 -2.92 120.64 117.55 2k5i n GLU 109 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 56.97 2k5i n GLU 109 Cb 0.51 -0.11 -0.06 0.00 0.00 0.00 0.00 31.44 31.79 2k5i n GLU 109 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2k5i s SER 110 N -2.09 -0.51 -0.82 -1.84 0.15 -1.26 -4.72 113.70 102.61 2k5i s SER 110 Ca 0.00 0.77 -0.01 0.00 0.70 0.00 0.00 55.95 57.41 2k5i s SER 110 Cb 0.00 1.35 -0.02 0.00 -1.71 0.00 0.00 66.02 65.64 2k5i s SER 110 CO 0.00 -0.12 0.69 0.61 1.20 0.00 0.00 173.24 175.62 2k5i n GLY 111 N 4.10 -0.27 3.11 9.45 0.00 -0.71 -5.01 105.19 115.85 2k5i n GLY 111 Ca -0.15 0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 2k5i n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k5i s LYS 112 N -4.65 1.59 -0.56 1.61 -0.14 -1.26 -4.96 119.74 111.37 2k5i s LYS 112 Ca 0.11 -0.54 -0.28 0.00 -1.36 0.00 0.00 55.97 53.89 2k5i s LYS 112 Cb -0.01 -1.40 0.03 0.00 -1.68 0.00 0.00 37.83 34.76 2k5i s LYS 112 CO 0.52 0.22 1.21 0.15 -0.76 0.00 0.00 175.35 176.69 2k5i s LYS 113 N 0.07 3.53 -0.18 1.68 3.01 -1.26 -2.22 119.74 124.37 2k5i s LYS 113 Ca -0.04 0.33 -0.09 0.00 -1.01 0.00 0.00 55.97 55.17 2k5i s LYS 113 Cb -0.11 -4.01 -0.05 0.00 -1.01 0.00 0.00 37.83 32.66 2k5i s LYS 113 CO 0.02 -1.66 0.11 -1.50 0.51 0.00 0.00 175.35 172.83 2k5i s ILE 114 N 5.00 5.26 -0.22 2.17 1.10 0.89 -4.43 121.20 130.97 2k5i s ILE 114 Ca 0.45 0.13 -0.13 0.00 -0.51 0.00 0.00 60.65 60.59 2k5i s ILE 114 Cb -0.08 -3.36 -0.05 0.00 0.15 0.00 0.00 42.46 39.12 2k5i s ILE 114 CO 0.26 0.49 0.25 -1.10 -2.11 0.00 0.00 174.94 172.73 2k5i s GLN 115 N 0.04 4.13 -0.37 3.50 -1.52 -0.36 -1.47 119.66 123.61 2k5i s GLN 115 Ca 0.08 -0.08 -0.14 0.00 -1.95 0.00 0.00 55.36 53.28 2k5i s GLN 115 Cb -0.11 -3.52 -0.00 0.00 -0.22 0.00 0.00 33.01 29.15 2k5i s GLN 115 CO -0.00 0.06 0.30 0.08 -0.25 0.00 0.00 175.29 175.47 2k5i s VAL 116 N 1.05 5.24 -0.06 1.09 1.01 -1.22 -1.27 120.40 126.23 2k5i s VAL 116 Ca 0.12 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 2k5i s VAL 116 Cb -0.14 -3.83 0.04 0.00 0.00 0.00 0.00 36.38 32.46 2k5i s VAL 116 CO 0.05 -0.15 0.12 -0.55 0.00 0.00 0.00 175.10 174.57 2k5i s SER 117 N 1.72 0.61 1.46 3.32 0.15 -1.02 -4.47 113.70 115.48 2k5i s SER 117 Ca 0.07 0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.96 2k5i s SER 117 Cb -0.18 0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 2k5i s SER 117 CO 0.11 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.94 2k5i n GLY 118 N 5.00 1.01 0.73 9.45 0.00 -1.26 -1.91 105.19 118.20 2k5i n GLY 118 Ca -0.11 0.42 0.04 0.00 0.00 0.00 0.00 46.02 46.37 2k5i n GLY 118 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2k5i n ARG 119 N 0.00 0.45 -4.00 1.61 0.00 -1.26 -4.90 116.66 108.56 2k5i n ARG 119 Ca 0.00 -1.90 -0.08 0.00 -0.00 0.00 0.00 57.85 55.87 2k5i n ARG 119 Cb 0.00 -0.69 -0.09 0.00 -0.00 0.00 0.00 32.46 31.68 2k5i n ARG 119 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 2k5i s ARG 120 N -0.97 0.64 0.25 2.89 3.03 -0.80 -4.94 118.95 119.04 2k5i s ARG 120 Ca 0.21 -1.02 0.09 0.00 2.03 0.00 0.00 55.73 57.04 2k5i s ARG 120 Cb 0.22 0.24 -0.04 0.00 -1.03 0.00 0.00 34.95 34.33 2k5i s ARG 120 CO -0.05 -0.15 -0.00 0.71 -1.13 0.00 0.00 175.30 174.68 2k5i s TYR 121 N -3.48 2.73 -0.07 5.89 2.02 -1.25 -2.42 117.35 120.77 2k5i s TYR 121 Ca 0.03 -0.21 0.02 0.00 -0.37 0.00 0.00 57.07 56.53 2k5i s TYR 121 Cb 0.04 -1.23 0.02 0.00 -0.40 0.00 0.00 41.96 40.39 2k5i s TYR 121 CO -0.09 0.60 -0.11 0.71 -1.57 0.00 0.00 175.55 175.10 2k5i s TYR 122 N -2.21 1.38 -0.39 2.71 1.51 -0.40 -0.32 117.35 119.64 2k5i s TYR 122 Ca 0.31 -0.54 -0.07 0.00 -1.01 0.00 0.00 57.07 55.76 2k5i s TYR 122 Cb -0.07 -1.05 0.07 0.00 -0.11 0.00 0.00 41.96 40.80 2k5i s TYR 122 CO 0.20 -0.31 0.19 0.42 -1.11 0.00 0.00 175.55 174.94 2k5i s ILE 123 N 0.88 3.89 -1.34 2.71 -1.09 0.51 -1.22 121.20 125.54 2k5i s ILE 123 Ca -0.11 -1.43 -0.16 0.00 -2.23 0.00 0.00 60.65 56.73 2k5i s ILE 123 Cb -0.15 -3.37 0.15 0.00 -1.58 0.00 0.00 42.46 37.51 2k5i s ILE 123 CO 0.01 -0.42 0.47 -1.84 -1.23 0.00 0.00 174.94 171.92 2k5i n GLU 124 N 4.82 -1.94 0.00 2.79 0.28 -1.26 -0.61 120.64 124.72 2k5i n GLU 124 Ca -0.10 0.19 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 2k5i n GLU 124 Cb 0.43 -4.79 0.00 0.00 1.43 0.00 0.00 31.44 28.51 2k5i n GLU 124 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k5i n GLY 125 N -0.98 0.77 3.32 -1.84 0.00 -1.26 -5.10 105.19 100.09 2k5i n GLY 125 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 2k5i n GLY 125 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k5i s ARG 126 N -0.48 3.36 0.24 1.61 3.52 0.22 -5.10 118.95 122.32 2k5i s ARG 126 Ca 0.00 -0.66 -0.30 0.00 -0.13 0.00 0.00 55.73 54.64 2k5i s ARG 126 Cb 0.00 -2.86 -0.10 0.00 -1.56 0.00 0.00 34.95 30.43 2k5i s ARG 126 CO 0.00 -0.06 1.43 -1.21 -0.81 0.00 0.00 175.30 174.64 2k5i s GLU 127 N 1.09 4.28 -0.42 5.12 2.02 -1.26 -0.36 118.70 129.17 2k5i s GLU 127 Ca 0.01 2.27 -0.10 0.00 0.02 0.00 0.00 54.97 57.16 2k5i s GLU 127 Cb -0.15 -3.12 0.07 0.00 0.10 0.00 0.00 34.13 31.03 2k5i s GLU 127 CO -0.02 -0.40 0.27 0.42 0.02 0.00 0.00 175.26 175.55 2k5i s ILE 128 N 0.06 4.35 -0.88 -1.63 -1.09 0.56 -4.91 121.20 117.67 2k5i s ILE 128 Ca 0.59 -1.32 -0.25 0.00 -2.23 0.00 0.00 60.65 57.44 2k5i s ILE 128 Cb -0.41 -3.64 -0.04 0.00 -1.58 0.00 0.00 42.46 36.79 2k5i s ILE 128 CO 0.42 -0.49 1.93 -1.81 -1.23 0.00 0.00 174.94 173.76 2k5i s ASP 129 N 2.12 5.17 -0.47 3.58 1.11 -1.26 -3.87 116.67 123.05 2k5i s ASP 129 Ca 0.03 -0.59 0.04 0.00 0.18 0.00 0.00 52.55 52.21 2k5i s ASP 129 Cb -0.23 -2.56 0.12 0.00 1.07 0.00 0.00 42.92 41.33 2k5i s ASP 129 CO 0.03 -2.69 0.21 -0.76 1.18 0.00 0.00 175.17 173.14 2k5i s LEU 130 N 9.91 4.28 -1.30 1.23 1.43 -1.26 -5.01 118.68 127.97 2k5i s LEU 130 Ca 0.69 -2.78 -0.18 0.00 -1.03 0.00 0.00 54.13 50.83 2k5i s LEU 130 Cb -0.07 -1.59 0.06 0.00 0.03 0.00 0.00 46.19 44.62 2k5i s LEU 130 CO 0.01 -0.27 1.75 -0.83 0.23 0.00 0.00 176.35 177.24 2k5i s GLY 131 N 0.04 1.59 0.00 -3.19 0.00 -1.26 -4.16 107.32 100.34 2k5i s GLY 131 Ca 0.16 -2.89 0.00 0.00 0.00 0.00 0.00 44.72 41.98 2k5i s GLY 131 CO -0.02 2.76 0.00 2.98 0.00 0.00 0.00 173.10 178.82 2k5i n TYR 132 N 8.60 0.00 0.16 1.90 9.36 -1.26 -3.73 117.16 132.19 2k5i n TYR 132 Ca 0.49 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.80 2k5i n TYR 132 Cb 0.46 0.00 0.61 0.00 -0.63 0.00 0.00 39.34 39.78 2k5i n TYR 132 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 2k5i h GLY 133 N 0.00 0.12 0.99 2.98 0.00 -1.87 -1.14 103.07 104.15 2k5i h GLY 133 Ca 0.00 -0.04 -0.22 0.00 0.00 0.00 0.00 47.33 47.07 2k5i h GLY 133 CO 0.00 0.04 -0.86 0.83 0.00 0.00 0.00 176.54 176.55 2k5i h GLU 134 N 0.11 0.54 0.00 4.80 5.08 -1.85 -3.34 114.58 119.92 2k5i h GLU 134 Ca 0.08 -0.61 -0.02 0.00 -1.00 0.00 0.00 59.36 57.81 2k5i h GLU 134 Cb 0.19 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 2k5i h GLU 134 CO -0.01 1.23 -0.08 0.00 -1.00 0.00 0.00 179.01 179.15 2k5i h ALA 135 N 0.33 1.69 0.00 3.43 0.00 -1.39 -0.80 119.26 122.51 2k5i h ALA 135 Ca -0.11 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2k5i h ALA 135 Cb 1.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2k5i h ALA 135 CO 0.17 0.10 0.00 -2.37 0.00 0.00 0.00 179.25 177.14 2k5i n THR 136 N -4.18 0.19 0.38 0.00 5.66 -0.82 -2.08 114.28 113.43 2k5i n THR 136 Ca -0.03 0.05 0.11 0.00 -3.05 0.00 0.00 64.05 61.13 2k5i n THR 136 Cb 0.16 -0.60 0.00 0.00 -1.55 0.00 0.00 70.33 68.34 2k5i n THR 136 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2k5i n LYS 137 N -1.41 0.41 -3.42 1.09 5.02 -0.31 -4.77 118.16 114.77 2k5i n LYS 137 Ca 0.09 0.01 -0.43 0.00 -2.02 0.00 0.00 58.31 55.96 2k5i n LYS 137 Cb 0.27 -1.65 -0.10 0.00 -0.02 0.00 0.00 35.03 33.53 2k5i n LYS 137 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2k5i s ILE 138 N -3.28 5.21 -0.24 -0.18 1.09 -1.19 -0.18 121.20 122.43 2k5i s ILE 138 Ca 0.01 -0.53 -0.19 0.00 -1.10 0.00 0.00 60.65 58.84 2k5i s ILE 138 Cb 0.13 -3.95 -0.03 0.00 -1.06 0.00 0.00 42.46 37.55 2k5i s ILE 138 CO 0.81 -0.33 0.57 0.26 -0.10 0.00 0.00 174.94 176.15 2k5i s TRP 139 N 1.83 3.31 0.43 3.97 0.52 -0.37 -1.08 118.94 127.54 2k5i s TRP 139 Ca 0.07 0.76 0.05 0.00 0.02 0.00 0.00 56.10 57.01 2k5i s TRP 139 Cb -0.18 -2.76 -0.06 0.00 -1.15 0.00 0.00 33.47 29.32 2k5i s TRP 139 CO 0.11 -0.24 0.02 0.14 0.02 0.00 0.00 176.95 177.00 2k5i s VAL 140 N 2.17 1.65 0.00 4.03 -7.23 0.29 -1.32 120.40 120.00 2k5i s VAL 140 Ca 0.24 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.47 2k5i s VAL 140 Cb -0.16 -2.74 -0.02 0.00 0.56 0.00 0.00 36.38 34.03 2k5i s VAL 140 CO 0.09 0.00 -0.16 -0.13 -0.31 0.00 0.00 175.10 174.59 2k5i s ARG 141 N -3.77 1.25 -0.33 4.82 0.52 -0.04 -0.55 118.95 120.85 2k5i s ARG 141 Ca 0.27 -0.66 -0.28 0.00 -0.52 0.00 0.00 55.73 54.54 2k5i s ARG 141 Cb 0.07 -1.24 -0.03 0.00 0.52 0.00 0.00 34.95 34.28 2k5i s ARG 141 CO 0.14 0.33 1.94 0.50 0.02 0.00 0.00 175.30 178.23 2k5i s ARG 142 N -0.62 3.17 -0.09 3.54 6.06 -1.26 -1.79 118.95 127.96 2k5i s ARG 142 Ca 0.06 1.53 -0.08 0.00 -2.50 0.00 0.00 55.73 54.74 2k5i s ARG 142 Cb -0.07 -4.27 -0.28 0.00 0.06 0.00 0.00 34.95 30.39 2k5i s ARG 142 CO 0.00 -2.05 0.49 -0.39 -2.50 0.00 0.00 175.30 170.85 2k5i h VAL 143 N 6.95 0.75 -4.77 7.11 -1.51 -1.88 -3.49 116.25 119.41 2k5i h VAL 143 Ca -0.35 -2.42 -0.37 0.00 -1.23 0.00 0.00 66.70 62.34 2k5i h VAL 143 Cb 1.19 2.61 0.09 0.00 -2.13 0.00 0.00 31.29 33.05 2k5i h VAL 143 CO 1.03 0.88 -0.59 -0.24 -1.23 0.00 0.00 177.57 177.42 2k5i n SER 144 N -3.52 -5.91 0.16 4.19 2.88 -1.25 -4.90 113.62 105.26 2k5i n SER 144 Ca -0.29 -0.38 0.04 0.00 -1.33 0.00 0.00 58.87 56.92 2k5i n SER 144 Cb 1.06 -4.63 0.47 0.00 -0.75 0.00 0.00 64.21 60.35 2k5i n SER 144 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2k5i h ASP 145 N -1.88 0.14 -0.49 -3.46 5.19 -1.94 -2.37 116.42 111.62 2k5i h ASP 145 Ca -0.51 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 55.88 2k5i h ASP 145 Cb 1.34 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.81 2k5i h ASP 145 CO 0.52 0.26 0.00 0.00 -3.12 0.00 0.00 179.24 176.89 2k5i n ALA 146 N -2.50 2.42 -1.69 3.45 0.00 -1.26 -4.94 120.51 115.99 2k5i n ALA 146 Ca -0.01 -1.00 -0.12 0.00 0.00 0.00 0.00 53.44 52.31 2k5i n ALA 146 Cb 0.21 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 2k5i n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5i n GLY 147 N 1.47 0.75 3.81 0.00 0.00 -0.89 -4.99 105.19 105.33 2k5i n GLY 147 Ca 0.20 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 2k5i n GLY 147 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k5i s GLU 148 N -3.64 4.01 -0.30 1.61 1.03 -1.26 -5.07 118.70 115.08 2k5i s GLU 148 Ca 0.00 1.27 -0.16 0.00 0.03 0.00 0.00 54.97 56.11 2k5i s GLU 148 Cb 0.00 -2.17 0.19 0.00 -0.80 0.00 0.00 34.13 31.35 2k5i s GLU 148 CO 0.00 -0.24 1.16 -1.83 -1.33 0.00 0.00 175.26 173.02 2k5i s GLU 149 N -3.15 0.16 0.39 -4.83 -1.05 -1.26 -4.86 118.70 104.10 2k5i s GLU 149 Ca 0.64 0.29 -0.10 0.00 -0.15 0.00 0.00 54.97 55.65 2k5i s GLU 149 Cb -0.14 0.06 0.04 0.00 -0.44 0.00 0.00 34.13 33.66 2k5i s GLU 149 CO 0.18 -0.04 0.70 -1.12 0.95 0.00 0.00 175.26 175.93 2k5i s SER 150 N 1.32 0.38 -0.23 0.83 0.01 -1.26 -5.10 113.70 109.66 2k5i s SER 150 Ca -0.07 -1.33 -0.16 0.00 1.31 0.00 0.00 55.95 55.70 2k5i s SER 150 Cb -0.03 0.81 -0.04 0.00 0.21 0.00 0.00 66.02 66.98 2k5i s SER 150 CO -0.12 -1.61 0.42 -1.00 0.41 0.00 0.00 173.24 171.33 2k5i s HIS 151 N -2.35 3.32 0.10 2.43 3.76 -1.26 -4.68 115.29 116.61 2k5i s HIS 151 Ca 0.21 0.57 -0.31 0.00 -0.15 0.00 0.00 55.06 55.39 2k5i s HIS 151 Cb -0.04 -2.57 -0.07 0.00 1.11 0.00 0.00 32.58 31.01 2k5i s HIS 151 CO 0.15 -0.11 1.26 -1.25 -0.85 0.00 0.00 174.74 173.95 2k5i s PRO 152 N 1.67 4.40 0.46 8.40 0.04 -1.26 -4.98 135.00 143.74 2k5i s PRO 152 Ca 0.19 1.89 -0.24 0.00 0.04 0.00 0.00 61.00 62.88 2k5i s PRO 152 Cb -0.15 -3.29 -0.07 0.00 0.04 0.00 0.00 34.50 31.02 2k5i s PRO 152 CO 0.09 -0.29 1.29 -1.14 0.04 0.00 0.00 177.00 176.99 2k5i s GLN 153 N 0.86 3.66 -0.27 4.56 2.00 -1.26 -4.52 119.66 124.69 2k5i s GLN 153 Ca 0.60 2.10 -0.28 0.00 -2.00 0.00 0.00 55.36 55.78 2k5i s GLN 153 Cb -0.33 -2.52 -0.04 0.00 0.80 0.00 0.00 33.01 30.93 2k5i s GLN 153 CO 0.31 -0.73 2.10 0.21 -0.50 0.00 0.00 175.29 176.68 2k5i s LYS 154 N -2.56 3.14 0.19 1.67 2.36 -1.26 -4.96 119.74 118.31 2k5i s LYS 154 Ca 0.63 1.81 -0.30 0.00 -2.55 0.00 0.00 55.97 55.56 2k5i s LYS 154 Cb -0.37 -4.33 -0.08 0.00 -1.05 0.00 0.00 37.83 32.00 2k5i s LYS 154 CO 0.46 -2.09 0.97 -0.51 1.55 0.00 0.00 175.35 175.72 2k5i s LEU 155 N 8.08 4.57 -0.07 5.43 1.43 -1.26 -4.98 118.68 131.89 2k5i s LEU 155 Ca 0.94 1.92 -0.29 0.00 -1.03 0.00 0.00 54.13 55.66 2k5i s LEU 155 Cb -0.29 -3.60 -0.07 0.00 0.03 0.00 0.00 46.19 42.26 2k5i s LEU 155 CO 0.34 0.03 1.89 -1.83 0.23 0.00 0.00 176.35 177.01 2k5i s GLU 156 N -0.67 3.92 -1.48 1.70 -1.05 -1.26 -4.90 118.70 114.96 2k5i s GLU 156 Ca 0.44 2.28 -0.11 0.00 -0.15 0.00 0.00 54.97 57.43 2k5i s GLU 156 Cb -0.25 -4.14 0.02 0.00 -0.44 0.00 0.00 34.13 29.31 2k5i s GLU 156 CO 0.32 -1.19 2.44 0.72 0.95 0.00 0.00 175.26 178.50 2k5i n HIS 157 N 8.33 3.02 -1.13 4.83 8.25 -1.26 -4.85 115.22 132.40 2k5i n HIS 157 Ca 0.21 -2.98 -0.31 0.00 -0.26 0.00 0.00 57.72 54.38 2k5i n HIS 157 Cb 0.43 -2.40 -0.05 0.00 1.12 0.00 0.00 29.99 29.08 2k5i n HIS 157 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2k5i n HIS 158 N 4.63 1.76 -2.99 4.41 -0.00 -1.26 -4.47 115.22 117.30 2k5i n HIS 158 Ca 0.60 -2.56 0.02 0.00 -0.00 0.00 0.00 57.72 55.78 2k5i n HIS 158 Cb 0.32 -2.16 -0.00 0.00 -0.00 0.00 0.00 29.99 28.15 2k5i n HIS 158 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2k5i s HIS 159 N 2.18 -0.94 -0.03 -1.40 3.76 -1.26 -4.94 115.29 112.66 2k5i s HIS 159 Ca 0.63 0.24 0.21 0.00 -0.15 0.00 0.00 55.06 55.99 2k5i s HIS 159 Cb 0.19 0.17 0.59 0.00 1.11 0.00 0.00 32.58 34.64 2k5i s HIS 159 CO -0.04 -0.62 1.68 1.25 -0.85 0.00 0.00 174.74 176.16 2k5i h HIS 160 N 6.39 0.00 -3.29 1.40 2.76 -1.97 -3.42 115.15 117.02 2k5i h HIS 160 Ca -0.01 0.00 -0.65 0.00 -2.20 0.00 0.00 60.37 57.50 2k5i h HIS 160 Cb 1.21 0.00 -0.36 0.00 1.55 0.00 0.00 27.41 29.81 2k5i h HIS 160 CO -0.00 0.28 -0.84 -1.58 -1.30 0.00 0.00 177.93 174.49 2k5i s HIS 161 N -3.38 2.75 -2.71 5.26 5.65 -1.26 -5.13 115.29 116.46 2k5i s HIS 161 Ca 0.02 -1.73 0.22 0.00 0.25 0.00 0.00 55.06 53.82 2k5i s HIS 161 Cb 0.09 -1.84 0.17 0.00 -1.18 0.00 0.00 32.58 29.82 2k5i s HIS 161 CO 0.67 -0.80 1.19 -2.39 -0.65 0.00 0.00 174.74 172.76