#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 4.17 0.00 3.17 3.01 -1.26 -1.15 119.74 127.68 2k5i s LYS 2 Ca 0.00 1.03 0.26 0.00 -1.01 0.00 0.00 55.97 56.25 2k5i s LYS 2 Cb 0.00 -2.22 1.10 0.00 -1.01 0.00 0.00 37.83 35.70 2k5i s LYS 2 CO 0.00 -0.02 1.76 1.47 0.51 0.00 0.00 175.35 179.07 2k5i n LEU 3 N -0.68 1.22 0.00 3.17 -0.00 -1.25 -3.81 117.00 115.65 2k5i n LEU 3 Ca 0.06 -0.45 0.07 0.00 -0.00 0.00 0.00 56.01 55.70 2k5i n LEU 3 Cb 0.54 -0.03 0.43 0.00 -0.00 0.00 0.00 43.42 44.36 2k5i n LEU 3 CO 0.39 0.22 0.68 -1.54 -0.00 0.00 0.00 177.39 177.14 2k5i n SER 4 N -0.02 0.00 -0.35 1.45 3.41 -1.26 -2.81 113.62 114.04 2k5i n SER 4 Ca 0.19 -0.97 0.00 0.00 -0.26 0.00 0.00 58.87 57.82 2k5i n SER 4 Cb 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 2k5i n SER 4 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2k5i n ARG 5 N -0.82 0.03 -2.92 4.33 1.85 -1.25 -4.92 116.66 112.97 2k5i n ARG 5 Ca 0.11 -0.88 -0.35 0.00 -1.00 0.00 0.00 57.85 55.72 2k5i n ARG 5 Cb 0.05 -0.52 -0.06 0.00 -1.05 0.00 0.00 32.46 30.88 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 -0.04 4.24 -0.06 2.89 2.96 -1.12 -4.68 118.68 122.86 2k5i s LEU 6 Ca 0.00 1.63 -0.23 0.00 -0.22 0.00 0.00 54.13 55.31 2k5i s LEU 6 Cb 0.00 -4.00 -0.04 0.00 0.50 0.00 0.00 46.19 42.66 2k5i s LEU 6 CO 0.00 -0.11 0.69 -0.69 -1.32 0.00 0.00 176.35 174.93 2k5i s VAL 7 N -1.73 5.03 0.05 1.68 1.01 -1.26 -5.01 120.40 120.17 2k5i s VAL 7 Ca 0.51 1.43 -0.36 0.00 0.00 0.00 0.00 61.98 63.56 2k5i s VAL 7 Cb -0.15 -4.03 -0.15 0.00 0.00 0.00 0.00 36.38 32.04 2k5i s VAL 7 CO 0.20 0.27 1.50 -2.65 0.00 0.00 0.00 175.10 174.42 2k5i n PRO 8 N 3.69 1.53 0.00 2.72 -0.02 -1.26 -1.83 135.00 139.83 2k5i n PRO 8 Ca -0.02 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2k5i n PRO 8 Cb 0.51 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2k5i n PRO 8 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k5i n GLY 9 N 3.12 3.09 3.65 -1.23 0.00 0.30 -4.96 105.19 109.17 2k5i n GLY 9 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.87 4.37 -0.17 1.61 1.01 -0.76 -4.85 120.40 118.73 2k5i s VAL 10 Ca 0.00 1.63 -0.29 0.00 0.00 0.00 0.00 61.98 63.32 2k5i s VAL 10 Cb 0.00 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 2k5i s VAL 10 CO 0.00 -0.26 1.49 -2.84 0.00 0.00 0.00 175.10 173.50 2k5i s PRO 11 N 3.59 4.02 0.55 2.72 0.02 -1.26 -4.05 135.00 140.59 2k5i s PRO 11 Ca 0.51 1.75 0.06 0.00 0.02 0.00 0.00 61.00 63.34 2k5i s PRO 11 Cb -0.18 -3.93 0.04 0.00 0.02 0.00 0.00 34.50 30.45 2k5i s PRO 11 CO 0.14 -1.00 0.42 0.00 -0.33 0.00 0.00 177.00 176.23 2k5i s ALA 12 N 4.35 4.46 -0.13 -1.55 0.00 0.83 -0.97 121.76 128.76 2k5i s ALA 12 Ca 0.66 -1.27 -0.05 0.00 0.00 0.00 0.00 51.96 51.30 2k5i s ALA 12 Cb -0.25 -0.76 0.06 0.00 0.00 0.00 0.00 23.12 22.18 2k5i s ALA 12 CO 0.25 -0.47 0.27 0.50 0.00 0.00 0.00 175.76 176.30 2k5i s ARG 13 N -4.30 0.15 -0.26 0.00 3.52 0.80 -0.54 118.95 118.32 2k5i s ARG 13 Ca 0.35 0.75 -0.28 0.00 -0.13 0.00 0.00 55.73 56.41 2k5i s ARG 13 Cb -0.02 -0.03 -0.04 0.00 -1.56 0.00 0.00 34.95 33.30 2k5i s ARG 13 CO 0.22 -0.28 2.10 0.42 -0.81 0.00 0.00 175.30 176.95 2k5i s ILE 14 N 2.36 3.15 -0.04 4.11 -1.09 0.74 0.53 121.20 130.97 2k5i s ILE 14 Ca 0.01 0.15 -0.01 0.00 -2.23 0.00 0.00 60.65 58.57 2k5i s ILE 14 Cb -0.12 -3.20 -0.00 0.00 -1.58 0.00 0.00 42.46 37.56 2k5i s ILE 14 CO -0.09 -0.13 -0.01 0.11 -1.23 0.00 0.00 174.94 173.59 2k5i h LYS 15 N 14.56 0.00 -3.96 2.79 1.57 -0.84 -0.53 116.57 130.16 2k5i h LYS 15 Ca -0.38 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.25 2k5i h LYS 15 Cb 1.22 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.34 2k5i h LYS 15 CO 0.99 0.00 -0.64 -0.98 -0.57 0.00 0.00 179.45 178.24 2k5i s ARG 16 N -1.24 0.44 -0.42 3.15 1.70 -1.13 -4.65 118.95 116.80 2k5i s ARG 16 Ca -0.01 -0.74 -0.08 0.00 -0.47 0.00 0.00 55.73 54.43 2k5i s ARG 16 Cb 0.00 0.16 0.09 0.00 -0.57 0.00 0.00 34.95 34.63 2k5i s ARG 16 CO 0.01 -0.09 0.25 -0.51 -1.08 0.00 0.00 175.30 173.88 2k5i s LEU 17 N -1.87 5.17 -0.15 -1.89 1.02 -1.26 -1.50 118.68 118.20 2k5i s LEU 17 Ca -0.09 -1.63 0.05 0.00 0.02 0.00 0.00 54.13 52.48 2k5i s LEU 17 Cb -0.04 -1.95 0.37 0.00 0.02 0.00 0.00 46.19 44.59 2k5i s LEU 17 CO -0.03 -0.54 1.21 -1.84 0.02 0.00 0.00 176.35 175.16 2k5i n GLU 18 N 4.85 2.48 -4.43 1.70 0.28 -0.03 -4.81 120.64 120.68 2k5i n GLU 18 Ca -0.09 -1.50 -0.30 0.00 -0.16 0.00 0.00 57.16 55.11 2k5i n GLU 18 Cb 0.42 -1.78 -0.12 0.00 1.43 0.00 0.00 31.44 31.40 2k5i n GLU 18 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2k5i s VAL 19 N -1.77 2.85 0.34 3.84 0.11 -1.24 -5.01 120.40 119.52 2k5i s VAL 19 Ca 0.27 -1.38 0.10 0.00 -2.93 0.00 0.00 61.98 58.04 2k5i s VAL 19 Cb 0.21 -2.27 -0.06 0.00 -1.53 0.00 0.00 36.38 32.73 2k5i s VAL 19 CO 0.07 0.19 -0.11 -0.44 -3.33 0.00 0.00 175.10 171.48 2k5i s SER 20 N -1.89 3.72 0.00 3.54 0.01 -1.26 -4.45 113.70 113.37 2k5i s SER 20 Ca 0.17 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 56.25 2k5i s SER 20 Cb -0.11 -0.35 0.00 0.00 0.21 0.00 0.00 66.02 65.78 2k5i s SER 20 CO 0.08 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.17 2k5i n GLY 21 N -0.78 -0.30 0.29 3.44 0.00 -1.26 -4.26 105.19 102.32 2k5i n GLY 21 Ca -0.05 -1.26 0.08 0.00 0.00 0.00 0.00 46.02 44.78 2k5i n GLY 21 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k5i h GLU 22 N 0.00 0.36 -0.25 1.61 5.08 -2.00 -0.66 114.58 118.72 2k5i h GLU 22 Ca 0.00 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 2k5i h GLU 22 Cb 0.00 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2k5i h GLU 22 CO 0.00 0.24 -0.36 1.25 -1.00 0.00 0.00 179.01 179.14 2k5i h LEU 23 N 0.38 0.58 0.15 1.33 5.85 -1.96 -1.46 115.31 120.17 2k5i h LEU 23 Ca 0.46 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 2k5i h LEU 23 Cb 0.77 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2k5i h LEU 23 CO -0.48 0.89 -0.07 -0.74 -0.34 0.00 0.00 178.44 177.71 2k5i h HIS 24 N 0.47 -0.19 -0.17 1.25 2.76 -1.31 -0.11 115.15 117.85 2k5i h HIS 24 Ca 0.05 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.15 2k5i h HIS 24 Cb 0.85 0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.85 2k5i h HIS 24 CO 0.03 0.03 -0.16 1.05 -1.30 0.00 0.00 177.93 177.57 2k5i h GLU 25 N -0.37 0.28 0.35 5.26 4.11 -1.49 -2.41 114.58 120.31 2k5i h GLU 25 Ca -0.02 -0.07 -0.02 0.00 0.07 0.00 0.00 59.36 59.32 2k5i h GLU 25 Cb 0.29 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2k5i h GLU 25 CO 0.03 0.45 -0.17 -0.22 0.07 0.00 0.00 179.01 179.17 2k5i h LYS 26 N 0.26 -0.46 0.15 1.06 3.64 -0.98 -1.00 116.57 119.24 2k5i h LYS 26 Ca 0.05 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2k5i h LYS 26 Cb 0.45 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 2k5i h LYS 26 CO 0.03 -0.29 -0.15 -0.07 -2.27 0.00 0.00 179.45 176.70 2k5i h LEU 27 N -0.50 -0.40 -1.42 5.20 3.38 -0.86 -1.27 115.31 119.44 2k5i h LEU 27 Ca -0.05 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2k5i h LEU 27 Cb 0.38 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2k5i h LEU 27 CO 0.08 -0.23 0.13 -0.37 0.09 0.00 0.00 178.44 178.14 2k5i h VAL 28 N -0.33 1.15 0.00 1.22 -1.51 -1.41 0.30 116.25 115.67 2k5i h VAL 28 Ca 0.00 -0.49 -0.05 0.00 -1.23 0.00 0.00 66.70 64.93 2k5i h VAL 28 Cb 0.31 0.74 -0.01 0.00 -2.13 0.00 0.00 31.29 30.20 2k5i h VAL 28 CO -0.04 0.19 -0.26 1.23 -1.23 0.00 0.00 177.57 177.46 2k5i h GLY 29 N 0.70 0.00 1.38 5.19 0.00 -0.71 -2.75 103.07 106.88 2k5i h GLY 29 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.39 2k5i h GLY 29 CO -0.01 0.00 -0.83 -0.33 0.00 0.00 0.00 176.54 175.37 2k5i h MET 30 N 0.00 0.00 0.00 4.80 2.86 -0.30 -3.48 114.93 118.81 2k5i h MET 30 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2k5i h MET 30 Cb 0.63 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.29 2k5i h MET 30 CO 0.03 0.18 0.00 0.41 1.06 0.00 0.00 176.91 178.60 2k5i n GLY 31 N 1.23 0.71 3.57 8.32 0.00 -0.61 -4.99 105.19 113.42 2k5i n GLY 31 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 2.22 0.05 1.61 0.08 -0.00 -4.91 117.98 117.02 2k5i s PHE 32 Ca 0.00 -0.23 0.08 0.00 0.12 0.00 0.00 56.93 56.90 2k5i s PHE 32 Cb 0.00 -4.35 -0.03 0.00 -0.57 0.00 0.00 43.02 38.07 2k5i s PHE 32 CO 0.00 -1.71 -0.23 0.14 -0.10 0.00 0.00 175.22 173.32 2k5i s VAL 33 N 7.74 1.83 -0.29 -0.44 -7.23 -1.26 -3.23 120.40 117.52 2k5i s VAL 33 Ca 0.60 -1.30 -0.34 0.00 -1.81 0.00 0.00 61.98 59.13 2k5i s VAL 33 Cb -0.02 -1.59 -0.11 0.00 0.56 0.00 0.00 36.38 35.23 2k5i s VAL 33 CO 0.01 0.24 2.13 -2.65 -0.31 0.00 0.00 175.10 174.51 2k5i n PRO 34 N 1.75 1.34 0.00 4.82 -0.02 -1.26 -1.98 135.00 139.65 2k5i n PRO 34 Ca -0.17 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 2k5i n PRO 34 Cb 0.53 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 2k5i n PRO 34 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k5i n GLY 35 N 6.03 1.64 3.77 -1.23 0.00 -0.21 -5.03 105.19 110.16 2k5i n GLY 35 Ca 0.36 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.00 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 4.48 -0.19 1.61 0.41 -0.84 -4.79 118.70 119.38 2k5i s GLU 36 Ca 0.00 1.62 -0.10 0.00 -0.41 0.00 0.00 54.97 56.08 2k5i s GLU 36 Cb 0.00 -2.92 -0.05 0.00 -1.78 0.00 0.00 34.13 29.38 2k5i s GLU 36 CO 0.00 0.12 0.13 -1.21 -0.49 0.00 0.00 175.26 173.81 2k5i s GLU 37 N -1.86 4.13 -0.04 1.61 2.02 -1.26 -0.19 118.70 123.12 2k5i s GLU 37 Ca 0.49 -0.22 0.00 0.00 0.02 0.00 0.00 54.97 55.26 2k5i s GLU 37 Cb -0.26 -3.39 0.03 0.00 0.10 0.00 0.00 34.13 30.60 2k5i s GLU 37 CO 0.33 0.33 -0.00 -1.50 0.02 0.00 0.00 175.26 174.44 2k5i s ILE 38 N 0.28 0.24 -0.04 -1.63 2.07 0.29 -1.50 121.20 120.91 2k5i s ILE 38 Ca 0.08 0.08 0.03 0.00 -1.41 0.00 0.00 60.65 59.44 2k5i s ILE 38 Cb -0.11 -0.34 -0.03 0.00 0.13 0.00 0.00 42.46 42.11 2k5i s ILE 38 CO -0.02 0.18 -0.12 -1.83 -1.91 0.00 0.00 174.94 171.24 2k5i s GLU 39 N 1.22 2.53 -0.02 3.50 -1.05 -0.86 -0.12 118.70 123.89 2k5i s GLU 39 Ca -0.07 -0.69 -0.28 0.00 -0.15 0.00 0.00 54.97 53.78 2k5i s GLU 39 Cb -0.13 -2.42 -0.03 0.00 -0.44 0.00 0.00 34.13 31.10 2k5i s GLU 39 CO -0.02 0.62 0.89 0.42 0.95 0.00 0.00 175.26 178.13 2k5i s ILE 40 N -0.79 4.92 -0.01 1.83 -1.09 -1.26 -0.22 121.20 124.58 2k5i s ILE 40 Ca 0.12 1.87 -0.01 0.00 -2.23 0.00 0.00 60.65 60.40 2k5i s ILE 40 Cb -0.11 -4.23 -0.00 0.00 -1.58 0.00 0.00 42.46 36.54 2k5i s ILE 40 CO 0.02 0.19 -0.02 0.52 -1.23 0.00 0.00 174.94 174.42 2k5i n VAL 41 N 3.83 0.12 -4.19 2.92 0.31 0.52 -0.53 118.33 121.31 2k5i n VAL 41 Ca 0.04 0.47 -0.18 0.00 -0.01 0.00 0.00 64.34 64.66 2k5i n VAL 41 Cb 0.51 -1.57 -0.12 0.00 -0.91 0.00 0.00 33.84 31.75 2k5i n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k5i s GLN 42 N -1.13 0.87 -0.05 5.55 -2.07 -1.06 -4.73 119.66 117.04 2k5i s GLN 42 Ca -0.02 -1.04 0.06 0.00 -1.82 0.00 0.00 55.36 52.54 2k5i s GLN 42 Cb 0.00 -0.83 -0.01 0.00 -1.09 0.00 0.00 33.01 31.08 2k5i s GLN 42 CO 0.03 0.18 -0.23 0.08 -1.32 0.00 0.00 175.29 174.02 2k5i s VAL 43 N -1.55 1.88 0.26 3.63 1.01 -1.26 -0.80 120.40 123.56 2k5i s VAL 43 Ca 0.01 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 2k5i s VAL 43 Cb -0.08 -1.59 -0.10 0.00 0.00 0.00 0.00 36.38 34.61 2k5i s VAL 43 CO 0.02 0.53 1.39 0.00 0.00 0.00 0.00 175.10 177.04 2k5i s ALA 44 N -0.15 3.58 0.55 5.51 0.00 -0.68 -4.91 121.76 125.66 2k5i s ALA 44 Ca -0.02 1.27 0.29 0.00 0.00 0.00 0.00 51.96 53.49 2k5i s ALA 44 Cb -0.13 -3.53 1.46 0.00 0.00 0.00 0.00 23.12 20.93 2k5i s ALA 44 CO 0.03 -0.68 1.93 -1.00 0.00 0.00 0.00 175.76 176.04 2k5i h PRO 45 N 4.76 0.00 -0.00 0.00 0.13 -1.91 0.65 132.00 135.63 2k5i h PRO 45 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2k5i h PRO 45 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2k5i h PRO 45 CO 0.75 0.00 -0.30 1.28 -0.23 0.00 0.00 178.00 179.50 2k5i n LEU 46 N -4.14 0.36 0.00 1.56 4.32 -1.26 -4.97 117.00 112.87 2k5i n LEU 46 Ca 0.12 0.15 0.00 0.00 -0.02 0.00 0.00 56.01 56.26 2k5i n LEU 46 Cb 0.74 -0.32 0.00 0.00 -1.62 0.00 0.00 43.42 42.22 2k5i n LEU 46 CO 0.35 0.08 0.00 0.61 -1.22 0.00 0.00 177.39 177.21 2k5i n GLY 47 N 1.48 2.85 3.23 -0.72 0.00 0.22 -5.09 105.19 107.17 2k5i n GLY 47 Ca 0.07 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 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 0.00 1.67 0.64 1.61 1.47 -1.26 -4.37 116.67 116.43 2k5i s ASP 48 Ca 0.00 -1.01 -0.11 0.00 1.18 0.00 0.00 52.55 52.61 2k5i s ASP 48 Cb 0.00 0.01 -0.03 0.00 -0.34 0.00 0.00 42.92 42.56 2k5i s ASP 48 CO 0.00 -0.36 1.04 -2.16 0.68 0.00 0.00 175.17 174.37 2k5i s PRO 49 N -3.76 3.42 -0.19 2.11 0.04 -1.26 -4.73 135.00 130.63 2k5i s PRO 49 Ca 0.16 0.83 -0.04 0.00 0.04 0.00 0.00 61.00 61.99 2k5i s PRO 49 Cb 0.03 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 2k5i s PRO 49 CO -0.00 -0.71 -0.04 0.96 0.04 0.00 0.00 177.00 177.25 2k5i s ILE 50 N -3.10 3.63 -0.16 0.56 -0.00 0.13 -1.68 121.20 120.57 2k5i s ILE 50 Ca 0.56 -0.43 -0.18 0.00 -0.00 0.00 0.00 60.65 60.61 2k5i s ILE 50 Cb -0.12 -2.62 -0.04 0.00 -0.00 0.00 0.00 42.46 39.68 2k5i s ILE 50 CO 0.53 0.45 0.47 -0.69 -0.00 0.00 0.00 174.94 175.70 2k5i s VAL 51 N 1.00 5.16 0.38 8.37 1.01 0.02 -1.72 120.40 134.63 2k5i s VAL 51 Ca 0.01 0.90 0.04 0.00 0.00 0.00 0.00 61.98 62.92 2k5i s VAL 51 Cb -0.15 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 2k5i s VAL 51 CO 0.01 0.26 0.07 0.00 0.00 0.00 0.00 175.10 175.43 2k5i s LYS 53 N -3.82 1.86 -0.60 0.00 1.02 0.70 -0.49 119.74 118.41 2k5i s LYS 53 Ca 0.28 -1.38 -0.21 0.00 0.02 0.00 0.00 55.97 54.68 2k5i s LYS 53 Cb 0.06 -2.86 0.07 0.00 -0.52 0.00 0.00 37.83 34.58 2k5i s LYS 53 CO 0.14 -0.68 0.82 0.42 -0.92 0.00 0.00 175.35 175.13 2k5i s ILE 54 N 1.14 4.58 0.00 2.17 1.01 -0.07 -2.03 121.20 128.00 2k5i s ILE 54 Ca -0.03 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.12 2k5i s ILE 54 Cb -0.19 -4.54 0.00 0.00 0.01 0.00 0.00 42.46 37.74 2k5i s ILE 54 CO -0.07 -1.20 0.00 0.61 0.00 0.00 0.00 174.94 174.28 2k5i n GLY 55 N 5.26 0.90 0.00 6.18 0.00 -0.56 -2.55 105.19 114.43 2k5i n GLY 55 Ca -0.05 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 2.13 1.71 -4.80 1.61 3.02 -1.26 -5.07 115.26 112.61 2k5i n ASN 56 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.17 2k5i n ASN 56 Cb 0.00 0.12 -0.06 0.00 -0.61 0.00 0.00 39.78 39.23 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 -1.37 4.38 -0.15 3.52 1.70 -1.05 -4.99 118.95 120.98 2k5i s ARG 57 Ca 0.00 0.97 -0.27 0.00 -0.47 0.00 0.00 55.73 55.96 2k5i s ARG 57 Cb 0.00 -3.12 -0.01 0.00 -0.57 0.00 0.00 34.95 31.25 2k5i s ARG 57 CO 0.00 0.52 0.92 -0.80 -1.08 0.00 0.00 175.30 174.86 2k5i s ASN 58 N -1.33 7.07 -0.14 -2.89 0.02 -1.26 -0.89 114.94 115.53 2k5i s ASN 58 Ca 0.37 1.32 0.02 0.00 -1.02 0.00 0.00 52.86 53.56 2k5i s ASN 58 Cb -0.20 -2.50 0.01 0.00 0.02 0.00 0.00 41.25 38.58 2k5i s ASN 58 CO 0.23 -0.45 -0.21 -0.63 0.02 0.00 0.00 177.10 176.06 2k5i s ILE 59 N 2.23 2.19 -0.44 0.60 -1.09 0.35 -4.94 121.20 120.10 2k5i s ILE 59 Ca 0.42 -0.94 -0.25 0.00 -2.23 0.00 0.00 60.65 57.65 2k5i s ILE 59 Cb -0.17 -1.88 0.02 0.00 -1.58 0.00 0.00 42.46 38.86 2k5i s ILE 59 CO 0.13 0.54 0.92 -0.89 -1.23 0.00 0.00 174.94 174.42 2k5i s THR 60 N 0.72 4.51 0.09 2.92 2.01 -1.26 -1.20 115.64 123.42 2k5i s THR 60 Ca -0.09 0.86 0.07 0.00 0.31 0.00 0.00 61.69 62.84 2k5i s THR 60 Cb -0.16 -4.40 -0.03 0.00 0.01 0.00 0.00 72.50 67.91 2k5i s THR 60 CO 0.00 -0.75 -0.18 -0.22 -0.69 0.00 0.00 174.62 172.78 2k5i s LEU 61 N 3.67 2.30 0.20 4.42 1.98 -0.70 -4.97 118.68 125.58 2k5i s LEU 61 Ca 0.37 -0.67 0.10 0.00 -2.89 0.00 0.00 54.13 51.05 2k5i s LEU 61 Cb -0.11 -0.73 -0.04 0.00 0.66 0.00 0.00 46.19 45.97 2k5i s LEU 61 CO 0.24 -0.00 -0.17 -0.13 -1.89 0.00 0.00 176.35 174.40 2k5i s ARG 62 N -1.88 1.78 0.26 1.98 0.52 -1.26 0.19 118.95 120.53 2k5i s ARG 62 Ca 0.03 -1.46 -0.01 0.00 -0.52 0.00 0.00 55.73 53.77 2k5i s ARG 62 Cb -0.10 -1.96 0.53 0.00 0.52 0.00 0.00 34.95 33.94 2k5i s ARG 62 CO 0.03 0.40 1.77 0.87 0.02 0.00 0.00 175.30 178.39 2k5i h LYS 63 N 2.89 0.62 -1.03 3.54 1.57 -1.91 0.16 116.57 122.41 2k5i h LYS 63 Ca -0.45 -0.04 0.26 0.00 -1.87 0.00 0.00 60.65 58.54 2k5i h LYS 63 Cb 1.22 -0.14 -0.10 0.00 0.08 0.00 0.00 32.23 33.29 2k5i h LYS 63 CO 0.52 0.41 0.66 0.07 -0.57 0.00 0.00 179.45 180.54 2k5i h ARG 64 N 0.64 0.42 0.08 3.15 0.11 -1.99 -1.40 114.38 115.39 2k5i h ARG 64 Ca 0.46 -0.03 -0.22 0.00 0.10 0.00 0.00 59.98 60.30 2k5i h ARG 64 Cb 0.64 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.62 2k5i h ARG 64 CO -0.36 0.28 -1.10 0.93 0.10 0.00 0.00 179.97 179.82 2k5i h GLU 65 N 0.43 0.17 -0.71 0.08 4.39 -1.38 -3.41 114.58 114.15 2k5i h GLU 65 Ca 0.59 -0.29 0.02 0.00 0.34 0.00 0.00 59.36 60.03 2k5i h GLU 65 Cb 1.43 0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 30.14 2k5i h GLU 65 CO -0.31 1.14 0.47 0.00 -1.16 0.00 0.00 179.01 179.15 2k5i h ALA 66 N -0.11 1.55 0.00 3.43 0.00 0.23 -1.74 119.26 122.62 2k5i h ALA 66 Ca -0.25 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2k5i h ALA 66 Cb 1.55 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2k5i h ALA 66 CO 0.01 0.39 0.01 -0.44 0.00 0.00 0.00 179.25 179.22 2k5i h ASP 67 N 0.90 0.00 -0.47 0.00 3.32 -1.55 -0.80 116.42 117.82 2k5i h ASP 67 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 2k5i h ASP 67 Cb -0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2k5i h ASP 67 CO -0.07 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.63 2k5i n LEU 68 N -2.91 2.57 -4.17 1.55 4.77 -0.65 -4.82 117.00 113.34 2k5i n LEU 68 Ca -0.03 -1.29 -0.24 0.00 -0.03 0.00 0.00 56.01 54.42 2k5i n LEU 68 Cb 0.08 -0.32 -0.15 0.00 -2.33 0.00 0.00 43.42 40.69 2k5i n LEU 68 CO 0.18 0.63 -0.50 -0.63 -1.33 0.00 0.00 177.39 175.74 2k5i s ILE 69 N -1.39 1.37 -0.09 -0.08 1.09 -0.31 -0.85 121.20 120.94 2k5i s ILE 69 Ca 0.32 -0.81 0.00 0.00 -1.10 0.00 0.00 60.65 59.06 2k5i s ILE 69 Cb 0.17 -1.15 -0.03 0.00 -1.06 0.00 0.00 42.46 40.39 2k5i s ILE 69 CO 0.21 0.33 -0.09 -0.70 -0.10 0.00 0.00 174.94 174.59 2k5i s GLU 70 N -0.56 2.98 0.47 2.79 2.12 -0.56 -3.83 118.70 122.12 2k5i s GLU 70 Ca 0.06 -0.59 0.04 0.00 0.36 0.00 0.00 54.97 54.84 2k5i s GLU 70 Cb -0.07 -2.62 -0.03 0.00 0.26 0.00 0.00 34.13 31.67 2k5i s GLU 70 CO -0.00 0.50 0.06 0.14 -0.54 0.00 0.00 175.26 175.42 2k5i s VAL 71 N -0.38 1.57 -0.08 3.70 -7.23 -0.30 -0.15 120.40 117.54 2k5i s VAL 71 Ca 0.05 -1.92 0.02 0.00 -1.81 0.00 0.00 61.98 58.32 2k5i s VAL 71 Cb -0.12 -2.49 0.01 0.00 0.56 0.00 0.00 36.38 34.34 2k5i s VAL 71 CO 0.02 0.00 -0.12 -0.70 -0.31 0.00 0.00 175.10 173.99 2k5i s GLU 72 N -3.87 1.76 -0.42 4.82 2.12 0.19 -4.34 118.70 118.96 2k5i s GLU 72 Ca 0.21 -0.42 -0.28 0.00 0.36 0.00 0.00 54.97 54.83 2k5i s GLU 72 Cb 0.04 -1.49 0.00 0.00 0.26 0.00 0.00 34.13 32.94 2k5i s GLU 72 CO 0.11 -0.01 1.54 0.08 -0.54 0.00 0.00 175.26 176.44 2k5i s VAL 73 N 0.81 3.74 0.55 3.70 1.01 -1.26 -0.14 120.40 128.81 2k5i s VAL 73 Ca -0.12 0.73 0.22 0.00 0.00 0.00 0.00 61.98 62.82 2k5i s VAL 73 Cb -0.15 -4.07 0.31 0.00 0.00 0.00 0.00 36.38 32.47 2k5i s VAL 73 CO 0.02 -0.72 2.17 0.58 0.00 0.00 0.00 175.10 177.15 2k5i h VAL 74 N 6.57 0.79 0.00 2.92 2.07 -1.36 -1.56 116.25 125.69 2k5i h VAL 74 Ca -0.29 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2k5i h VAL 74 Cb 1.12 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2k5i h VAL 74 CO 1.09 0.00 0.00 0.61 0.02 0.00 0.00 177.57 179.29 2k5i n GLY 75 N -1.47 -0.95 4.97 2.17 0.00 -1.26 -4.93 105.19 103.73 2k5i n GLY 75 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.81 1.56 3.81 -0.02 0.00 -0.59 -4.90 105.19 105.86 2k5i n GLY 76 Ca 0.19 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 4.28 -0.03 1.61 -1.05 -1.26 -4.84 118.70 117.41 2k5i s GLU 77 Ca 0.00 1.01 -0.05 0.00 -0.15 0.00 0.00 54.97 55.78 2k5i s GLU 77 Cb 0.00 -2.59 0.01 0.00 -0.44 0.00 0.00 34.13 31.11 2k5i s GLU 77 CO 0.00 0.21 0.12 -0.48 0.95 0.00 0.00 175.26 176.06 2k5i s LEU 78 N -2.51 1.57 0.86 1.83 2.34 -0.30 -4.96 118.68 117.51 2k5i s LEU 78 Ca 0.52 0.09 -0.12 0.00 0.06 0.00 0.00 54.13 54.69 2k5i s LEU 78 Cb -0.14 0.48 0.11 0.00 -0.56 0.00 0.00 46.19 46.08 2k5i s LEU 78 CO 0.19 -0.14 1.14 -0.81 -1.06 0.00 0.00 176.35 175.67 2k5i n PRO 79 N 2.53 -0.13 0.19 1.48 -0.04 -1.26 -0.50 135.00 137.27 2k5i n PRO 79 Ca -0.16 0.04 0.09 0.00 -0.04 0.00 0.00 63.50 63.43 2k5i n PRO 79 Cb 0.58 -2.38 0.62 0.00 -0.04 0.00 0.00 33.50 32.28 2k5i n PRO 79 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2k5i h LEU 80 N -1.38 0.06 -2.75 1.53 7.12 0.41 0.30 115.31 120.60 2k5i h LEU 80 Ca -0.45 -0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.56 2k5i h LEU 80 Cb 1.29 -0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 41.40 2k5i h LEU 80 CO 0.43 0.04 0.02 -0.29 -0.13 0.00 0.00 178.44 178.51 2k5i h ILE 81 N 0.07 0.21 -0.32 4.05 6.09 -1.77 -1.09 117.51 124.75 2k5i h ILE 81 Ca 0.06 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.55 2k5i h ILE 81 Cb 0.15 0.99 0.00 0.00 0.47 0.00 0.00 36.82 38.42 2k5i h ILE 81 CO -0.01 0.00 0.00 0.18 -3.07 0.00 0.00 178.15 175.25 2k5i n LEU 82 N -3.38 3.30 -4.58 2.19 4.77 0.09 -4.97 117.00 114.42 2k5i n LEU 82 Ca -0.03 -1.44 -0.40 0.00 -0.03 0.00 0.00 56.01 54.11 2k5i n LEU 82 Cb 0.09 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 2k5i n LEU 82 CO 0.23 0.69 1.86 0.00 -1.33 0.00 0.00 177.39 178.84 2k5i s ALA 83 N -1.48 2.28 0.87 -1.18 0.00 -0.42 -4.86 121.76 116.98 2k5i s ALA 83 Ca 0.35 0.31 -0.11 0.00 0.00 0.00 0.00 51.96 52.51 2k5i s ALA 83 Cb 0.21 -4.19 0.12 0.00 0.00 0.00 0.00 23.12 19.26 2k5i s ALA 83 CO 0.29 -3.50 1.15 0.34 0.00 0.00 0.00 175.76 174.04 2k5i s ASP 84 N 9.49 3.23 -0.24 0.00 2.15 -1.26 -4.87 116.67 125.17 2k5i s ASP 84 Ca 0.94 2.20 -0.31 0.00 0.43 0.00 0.00 52.55 55.81 2k5i s ASP 84 Cb -0.24 -2.57 -0.08 0.00 -0.30 0.00 0.00 42.92 39.73 2k5i s ASP 84 CO 0.30 -2.90 2.18 0.47 -0.17 0.00 0.00 175.17 175.05 2k5i n ASP 85 N -3.94 2.94 0.00 -0.34 8.00 -1.26 -4.79 116.55 117.15 2k5i n ASP 85 Ca 0.12 0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.98 2k5i n ASP 85 Cb 0.52 -1.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.17 2k5i n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k5i n GLY 86 N 5.87 -1.15 3.57 0.44 0.00 0.21 -5.02 105.19 109.10 2k5i n GLY 86 Ca 0.33 -1.16 -0.37 0.00 0.00 0.00 0.00 46.02 44.81 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 -3.00 5.05 0.44 2.61 2.01 -1.26 -0.73 115.64 120.76 2k5i s THR 87 Ca 0.00 0.08 0.05 0.00 0.31 0.00 0.00 61.69 62.13 2k5i s THR 87 Cb 0.00 -3.38 -0.05 0.00 0.01 0.00 0.00 72.50 69.07 2k5i s THR 87 CO 0.00 0.30 0.04 -0.31 -0.69 0.00 0.00 174.62 173.96 2k5i s TYR 88 N 1.55 2.31 -0.02 4.92 1.51 -0.40 -1.75 117.35 125.48 2k5i s TYR 88 Ca 0.07 -0.75 0.02 0.00 -1.01 0.00 0.00 57.07 55.39 2k5i s TYR 88 Cb -0.15 -1.76 0.01 0.00 -0.11 0.00 0.00 41.96 39.95 2k5i s TYR 88 CO 0.08 0.32 -0.06 -2.00 -1.11 0.00 0.00 175.55 172.78 2k5i s GLU 89 N -3.80 0.69 -0.04 -0.62 2.12 -0.03 0.28 118.70 117.30 2k5i s GLU 89 Ca 0.27 -0.19 -0.30 0.00 0.36 0.00 0.00 54.97 55.11 2k5i s GLU 89 Cb 0.06 -0.68 -0.04 0.00 0.26 0.00 0.00 34.13 33.74 2k5i s GLU 89 CO 0.14 0.05 1.27 -1.50 -0.54 0.00 0.00 175.26 174.69 2k5i s ILE 90 N 0.29 4.07 -0.26 -3.70 2.07 -0.43 -0.66 121.20 122.57 2k5i s ILE 90 Ca -0.04 1.41 -0.01 0.00 -1.41 0.00 0.00 60.65 60.60 2k5i s ILE 90 Cb -0.08 -3.91 -0.16 0.00 0.13 0.00 0.00 42.46 38.44 2k5i s ILE 90 CO -0.00 -0.00 -0.24 1.07 -1.91 0.00 0.00 174.94 173.86 2k5i n THR 91 N 4.65 1.50 -3.49 4.00 5.66 0.33 -2.66 114.28 124.27 2k5i n THR 91 Ca 0.12 -0.54 -0.16 0.00 -3.05 0.00 0.00 64.05 60.42 2k5i n THR 91 Cb 0.45 -1.51 -0.05 0.00 -1.55 0.00 0.00 70.33 67.68 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 -2.52 1.13 0.23 1.09 -2.85 -1.21 -4.81 119.74 110.81 2k5i s LYS 92 Ca -0.35 0.02 0.09 0.00 -1.00 0.00 0.00 55.97 54.72 2k5i s LYS 92 Cb 0.10 0.53 -0.04 0.00 -2.06 0.00 0.00 37.83 36.36 2k5i s LYS 92 CO 0.58 -0.41 0.00 -0.51 0.10 0.00 0.00 175.35 175.12 2k5i s LEU 93 N -1.71 3.25 -0.25 2.77 2.01 -1.26 -1.72 118.68 121.78 2k5i s LEU 93 Ca -0.07 -0.55 -0.02 0.00 0.01 0.00 0.00 54.13 53.50 2k5i s LEU 93 Cb -0.00 -1.82 0.08 0.00 0.01 0.00 0.00 46.19 44.46 2k5i s LEU 93 CO 0.02 0.03 0.07 0.20 1.01 0.00 0.00 176.35 177.68 2k5i s ASN 94 N -3.42 3.38 0.00 2.29 0.01 -1.17 -5.02 114.94 111.01 2k5i s ASN 94 Ca 0.30 -1.16 0.00 0.00 -0.71 0.00 0.00 52.86 51.29 2k5i s ASN 94 Cb -0.07 -0.66 0.00 0.00 0.41 0.00 0.00 41.25 40.93 2k5i s ASN 94 CO 0.19 -0.36 0.00 0.61 -1.51 0.00 0.00 177.10 176.04 2k5i n GLY 95 N 5.01 -0.05 0.00 0.66 0.00 -1.26 -4.92 105.19 104.62 2k5i n GLY 95 Ca -0.06 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.80 2k5i n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5i n GLY 96 N -0.70 0.05 0.32 -0.02 0.00 -1.26 -4.71 105.19 98.88 2k5i n GLY 96 Ca 0.00 -1.80 -0.03 0.00 0.00 0.00 0.00 46.02 44.18 2k5i n GLY 96 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2k5i h ARG 97 N 0.00 1.08 -0.21 1.61 3.08 -2.02 -0.88 114.38 117.04 2k5i h ARG 97 Ca 0.00 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 2k5i h ARG 97 Cb 0.00 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 2k5i h ARG 97 CO 0.00 0.71 0.09 0.00 -1.07 0.00 0.00 179.97 179.71 2k5i h ARG 98 N 1.11 0.30 0.53 0.04 -0.00 -1.99 -0.29 114.38 114.09 2k5i h ARG 98 Ca 0.32 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.98 59.72 2k5i h ARG 98 Cb -0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 29.97 29.83 2k5i h ARG 98 CO -0.08 0.35 -0.29 0.35 0.00 0.00 0.00 179.97 180.29 2k5i h PHE 99 N 0.19 -0.76 -0.75 3.04 3.57 -1.82 -0.88 116.94 119.53 2k5i h PHE 99 Ca 0.07 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.64 2k5i h PHE 99 Cb 0.15 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.10 2k5i h PHE 99 CO -0.02 -0.46 0.49 -0.07 -2.23 0.00 0.00 178.31 176.03 2k5i h LEU 100 N -0.77 0.63 -0.53 0.59 3.38 -1.16 -0.68 115.31 116.78 2k5i h LEU 100 Ca -0.07 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 2k5i h LEU 100 Cb 0.61 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2k5i h LEU 100 CO 0.09 0.39 0.13 0.15 0.09 0.00 0.00 178.44 179.29 2k5i h PHE 101 N 0.71 0.88 -0.22 1.13 3.57 -0.76 -1.82 116.94 120.42 2k5i h PHE 101 Ca 0.34 -0.10 0.02 0.00 3.53 0.00 0.00 57.97 61.75 2k5i h PHE 101 Cb 0.39 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 2k5i h PHE 101 CO -0.00 0.77 0.10 0.00 -2.23 0.00 0.00 178.31 176.95 2k5i h ARG 102 N 0.73 0.22 -0.82 1.11 3.08 0.29 -1.07 114.38 117.91 2k5i h ARG 102 Ca 0.17 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.29 2k5i h ARG 102 Cb 0.33 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.27 2k5i h ARG 102 CO 0.00 0.14 0.53 0.52 -1.07 0.00 0.00 179.97 180.10 2k5i h MET 103 N 0.22 0.78 -0.43 0.04 2.86 -1.16 -0.76 114.93 116.49 2k5i h MET 103 Ca 0.09 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.60 2k5i h MET 103 Cb 0.03 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 2k5i h MET 103 CO -0.07 0.52 -0.09 0.87 1.06 0.00 0.00 176.91 179.19 2k5i h LYS 104 N 0.80 0.76 -0.86 1.72 1.57 -0.69 0.14 116.57 120.01 2k5i h LYS 104 Ca 0.37 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2k5i h LYS 104 Cb 0.39 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 2k5i h LYS 104 CO -0.15 0.83 0.44 -0.91 -0.57 0.00 0.00 179.45 179.10 2k5i h ASN 105 N 0.69 1.09 0.81 0.86 2.35 0.12 -2.84 115.58 118.66 2k5i h ASN 105 Ca 0.12 -0.11 -0.24 0.00 -0.55 0.00 0.00 56.30 55.52 2k5i h ASN 105 Cb 0.56 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 2k5i h ASN 105 CO 0.03 0.89 -1.14 -0.07 -1.65 0.00 0.00 177.43 175.49 2k5i h LEU 106 N 1.21 0.19 0.00 1.61 -0.00 -1.30 -3.49 115.31 113.53 2k5i h LEU 106 Ca 0.30 -0.21 0.00 0.00 -0.00 0.00 0.00 57.88 57.97 2k5i h LEU 106 Cb 0.07 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2k5i h LEU 106 CO -0.04 1.17 0.00 0.61 -0.00 0.00 0.00 178.44 180.17 2k5i n GLY 107 N 1.44 1.85 3.05 0.83 0.00 0.34 -4.97 105.19 107.73 2k5i n GLY 107 Ca -0.05 0.00 -0.32 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 -2.00 2.39 -0.41 -0.61 -0.00 -0.35 -4.95 121.20 115.27 2k5i s ILE 108 Ca 0.00 -2.11 0.09 0.00 -0.00 0.00 0.00 60.65 58.63 2k5i s ILE 108 Cb 0.00 -2.65 0.29 0.00 -0.00 0.00 0.00 42.46 40.10 2k5i s ILE 108 CO 0.00 -0.45 0.71 -1.84 -0.00 0.00 0.00 174.94 173.36 2k5i n GLU 109 N 4.34 0.83 -0.99 0.37 0.28 -1.26 -4.50 120.64 119.71 2k5i n GLU 109 Ca -0.02 -2.90 0.00 0.00 -0.16 0.00 0.00 57.16 54.08 2k5i n GLU 109 Cb 0.42 -1.38 0.00 0.00 1.43 0.00 0.00 31.44 31.91 2k5i n GLU 109 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2k5i n SER 110 N 0.99 -5.57 0.00 -1.84 2.88 -1.26 -4.83 113.62 103.99 2k5i n SER 110 Ca 0.19 0.96 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 2k5i n SER 110 Cb 0.60 -2.72 0.00 0.00 -0.75 0.00 0.00 64.21 61.34 2k5i n SER 110 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k5i n GLY 111 N -1.49 0.72 3.80 0.46 0.00 -1.09 -4.97 105.19 102.62 2k5i n GLY 111 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.25 3.92 -0.27 1.61 -0.14 -1.26 -4.95 119.74 118.40 2k5i s LYS 112 Ca 0.00 0.02 -0.22 0.00 -1.36 0.00 0.00 55.97 54.41 2k5i s LYS 112 Cb 0.00 -3.31 -0.01 0.00 -1.68 0.00 0.00 37.83 32.83 2k5i s LYS 112 CO 0.00 0.51 0.74 0.15 -0.76 0.00 0.00 175.35 175.98 2k5i s LYS 113 N -0.32 4.06 -0.33 1.68 3.01 -1.26 -1.32 119.74 125.26 2k5i s LYS 113 Ca 0.16 0.64 -0.12 0.00 -1.01 0.00 0.00 55.97 55.64 2k5i s LYS 113 Cb -0.13 -3.68 -0.01 0.00 -1.01 0.00 0.00 37.83 32.99 2k5i s LYS 113 CO 0.05 -0.55 0.21 -1.50 0.51 0.00 0.00 175.35 174.06 2k5i s ILE 114 N 2.76 5.01 -0.32 2.17 1.10 0.14 -4.21 121.20 127.86 2k5i s ILE 114 Ca 0.30 -0.30 -0.29 0.00 -0.51 0.00 0.00 60.65 59.85 2k5i s ILE 114 Cb -0.15 -3.57 0.01 0.00 0.15 0.00 0.00 42.46 38.91 2k5i s ILE 114 CO 0.10 0.02 1.15 -1.10 -2.11 0.00 0.00 174.94 173.00 2k5i s GLN 115 N 1.68 4.00 -0.23 3.50 1.11 0.85 -1.27 119.66 129.30 2k5i s GLN 115 Ca 0.05 1.10 -0.04 0.00 0.01 0.00 0.00 55.36 56.48 2k5i s GLN 115 Cb -0.17 -3.79 -0.00 0.00 -1.01 0.00 0.00 33.01 28.03 2k5i s GLN 115 CO 0.09 -0.99 -0.02 0.08 0.01 0.00 0.00 175.29 174.45 2k5i s VAL 116 N 3.91 3.45 -0.20 1.09 1.01 0.09 -0.79 120.40 128.96 2k5i s VAL 116 Ca 0.49 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 2k5i s VAL 116 Cb -0.13 -2.61 0.06 0.00 0.00 0.00 0.00 36.38 33.70 2k5i s VAL 116 CO 0.19 0.36 0.03 -0.94 0.00 0.00 0.00 175.10 174.74 2k5i s SER 117 N 1.48 2.97 0.00 3.32 1.04 -0.69 -0.62 113.70 121.19 2k5i s SER 117 Ca 0.05 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.63 2k5i s SER 117 Cb -0.15 -0.62 0.00 0.00 0.10 0.00 0.00 66.02 65.35 2k5i s SER 117 CO -0.02 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.50 2k5i n GLY 118 N 5.03 1.26 0.00 7.32 0.00 -1.26 -1.69 105.19 115.86 2k5i n GLY 118 Ca -0.09 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.35 2k5i n GLY 118 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k5i n ARG 119 N 0.00 0.00 -3.90 1.61 0.00 -1.26 -4.96 116.66 108.15 2k5i n ARG 119 Ca 0.00 -0.15 -0.35 0.00 -0.00 0.00 0.00 57.85 57.34 2k5i n ARG 119 Cb 0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 32.46 32.05 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 0.00 3.89 -0.05 -0.14 1.70 -0.68 -5.08 118.95 118.59 2k5i s ARG 120 Ca 0.00 -0.26 0.06 0.00 -0.47 0.00 0.00 55.73 55.07 2k5i s ARG 120 Cb 0.00 -3.26 -0.01 0.00 -0.57 0.00 0.00 34.95 31.10 2k5i s ARG 120 CO 0.00 0.42 -0.25 0.71 -1.08 0.00 0.00 175.30 175.10 2k5i s TYR 121 N -0.01 2.42 -0.02 5.89 2.02 -1.26 -1.71 117.35 124.68 2k5i s TYR 121 Ca 0.08 -0.63 0.02 0.00 -0.37 0.00 0.00 57.07 56.17 2k5i s TYR 121 Cb -0.12 -1.58 0.01 0.00 -0.40 0.00 0.00 41.96 39.87 2k5i s TYR 121 CO 0.00 -0.16 -0.07 0.71 -1.57 0.00 0.00 175.55 174.46 2k5i s TYR 122 N -0.29 0.79 -0.37 2.71 1.51 0.03 -0.47 117.35 121.25 2k5i s TYR 122 Ca 0.00 -0.19 -0.07 0.00 -1.01 0.00 0.00 57.07 55.80 2k5i s TYR 122 Cb -0.13 -0.58 0.06 0.00 -0.11 0.00 0.00 41.96 41.20 2k5i s TYR 122 CO 0.02 -0.10 0.16 0.42 -1.11 0.00 0.00 175.55 174.95 2k5i s ILE 123 N 0.28 3.90 -0.60 2.71 -1.09 0.17 -0.11 121.20 126.46 2k5i s ILE 123 Ca -0.04 -1.28 0.00 0.00 -2.23 0.00 0.00 60.65 57.10 2k5i s ILE 123 Cb -0.08 -3.30 0.00 0.00 -1.58 0.00 0.00 42.46 37.50 2k5i s ILE 123 CO 0.00 -0.32 0.00 -1.84 -1.23 0.00 0.00 174.94 171.55 2k5i n GLU 124 N 4.83 -1.51 0.00 2.79 0.28 -1.26 -1.07 120.64 124.70 2k5i n GLU 124 Ca -0.11 0.34 0.00 0.00 -0.16 0.00 0.00 57.16 57.23 2k5i n GLU 124 Cb 0.44 -4.56 0.00 0.00 1.43 0.00 0.00 31.44 28.75 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 -0.25 4.14 3.65 -1.84 0.00 -1.26 -5.11 105.19 104.53 2k5i n GLY 125 Ca -0.06 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.64 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 0.00 4.18 0.72 1.61 3.00 -0.23 -5.03 118.95 123.19 2k5i s ARG 126 Ca 0.00 0.54 -0.15 0.00 -1.00 0.00 0.00 55.73 55.12 2k5i s ARG 126 Cb 0.00 -3.59 0.03 0.00 0.00 0.00 0.00 34.95 31.39 2k5i s ARG 126 CO 0.00 -0.25 1.19 -1.83 0.00 0.00 0.00 175.30 174.40 2k5i s GLU 127 N 1.96 2.25 -0.19 5.12 1.03 -1.26 -0.65 118.70 126.96 2k5i s GLU 127 Ca 0.27 1.69 -0.02 0.00 0.03 0.00 0.00 54.97 56.93 2k5i s GLU 127 Cb -0.16 -1.85 -0.01 0.00 -0.80 0.00 0.00 34.13 31.31 2k5i s GLU 127 CO 0.10 -1.73 -0.09 0.42 -1.33 0.00 0.00 175.26 172.63 2k5i s ILE 128 N -2.06 3.09 -1.15 1.83 -1.09 0.37 -4.80 121.20 117.39 2k5i s ILE 128 Ca 0.73 -0.60 -0.21 0.00 -2.23 0.00 0.00 60.65 58.34 2k5i s ILE 128 Cb -0.27 -2.37 0.06 0.00 -1.58 0.00 0.00 42.46 38.30 2k5i s ILE 128 CO 0.45 0.47 1.58 -1.81 -1.23 0.00 0.00 174.94 174.39 2k5i s ASP 129 N 1.18 6.66 -0.10 3.58 1.11 -1.26 -4.63 116.67 123.21 2k5i s ASP 129 Ca 0.02 -1.91 0.02 0.00 0.18 0.00 0.00 52.55 50.85 2k5i s ASP 129 Cb -0.14 -2.57 0.01 0.00 1.07 0.00 0.00 42.92 41.29 2k5i s ASP 129 CO -0.03 -1.35 -0.15 -0.76 1.18 0.00 0.00 175.17 174.07 2k5i s LEU 130 N 4.60 1.70 0.00 1.23 1.43 -1.26 -5.03 118.68 121.35 2k5i s LEU 130 Ca 0.49 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 2k5i s LEU 130 Cb 0.02 -1.05 0.00 0.00 0.03 0.00 0.00 46.19 45.19 2k5i s LEU 130 CO -0.02 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.19 2k5i n GLY 131 N 4.17 2.08 0.08 -3.19 0.00 -1.26 -4.78 105.19 102.29 2k5i n GLY 131 Ca -0.19 -2.07 -0.03 0.00 0.00 0.00 0.00 46.02 43.72 2k5i n GLY 131 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2k5i h TYR 132 N 0.01 -0.19 0.00 1.61 3.20 -2.01 0.11 116.97 119.71 2k5i h TYR 132 Ca 0.00 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 2k5i h TYR 132 Cb 0.00 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.33 2k5i h TYR 132 CO 0.00 -0.12 -0.01 0.78 -1.64 0.00 0.00 178.16 177.17 2k5i h GLY 133 N -0.20 0.00 0.04 1.82 0.00 -2.01 -2.78 103.07 99.95 2k5i h GLY 133 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 2k5i h GLY 133 CO 0.03 0.00 -0.01 0.83 0.00 0.00 0.00 176.54 177.39 2k5i h GLU 134 N 0.00 -0.04 0.00 4.80 5.08 -1.93 -3.38 114.58 119.11 2k5i h GLU 134 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k5i h GLU 134 Cb 0.05 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2k5i h GLU 134 CO 0.00 0.29 0.00 0.00 -1.00 0.00 0.00 179.01 178.30 2k5i h ALA 135 N -0.67 1.00 0.00 3.43 0.00 -0.63 -2.24 119.26 120.15 2k5i h ALA 135 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k5i h ALA 135 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2k5i h ALA 135 CO 0.01 0.00 0.00 -2.37 0.00 0.00 0.00 179.25 176.89 2k5i n THR 136 N -3.03 0.93 0.46 0.00 5.66 -1.06 -2.50 114.28 114.75 2k5i n THR 136 Ca -0.01 0.28 0.09 0.00 -3.05 0.00 0.00 64.05 61.36 2k5i n THR 136 Cb 0.17 -1.17 -0.12 0.00 -1.55 0.00 0.00 70.33 67.66 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 -2.01 0.79 -3.15 1.09 5.02 -0.84 -4.83 118.16 114.22 2k5i n LYS 137 Ca 0.02 -0.08 -0.42 0.00 -2.02 0.00 0.00 58.31 55.81 2k5i n LYS 137 Cb 0.19 -1.40 -0.07 0.00 -0.02 0.00 0.00 35.03 33.73 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 -2.99 4.92 -0.07 -0.18 1.09 -1.14 -3.05 121.20 119.79 2k5i s ILE 138 Ca 0.01 0.41 -0.19 0.00 -1.10 0.00 0.00 60.65 59.78 2k5i s ILE 138 Cb 0.13 -4.06 -0.05 0.00 -1.06 0.00 0.00 42.46 37.42 2k5i s ILE 138 CO 0.76 -0.34 0.51 0.26 -0.10 0.00 0.00 174.94 176.03 2k5i s TRP 139 N 2.62 3.59 0.23 3.97 0.52 -0.70 0.55 118.94 129.72 2k5i s TRP 139 Ca 0.22 1.00 0.03 0.00 0.02 0.00 0.00 56.10 57.37 2k5i s TRP 139 Cb -0.15 -2.54 -0.05 0.00 -1.15 0.00 0.00 33.47 29.58 2k5i s TRP 139 CO 0.15 0.28 0.02 0.14 0.02 0.00 0.00 176.95 177.56 2k5i s VAL 140 N 0.19 0.87 0.04 4.03 -7.23 0.34 -0.52 120.40 118.12 2k5i s VAL 140 Ca 0.27 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.47 2k5i s VAL 140 Cb -0.16 -2.39 -0.02 0.00 0.56 0.00 0.00 36.38 34.37 2k5i s VAL 140 CO 0.13 -0.27 -0.11 -0.13 -0.31 0.00 0.00 175.10 174.42 2k5i s ARG 141 N -3.91 0.70 -0.34 4.82 0.52 0.17 -1.15 118.95 119.75 2k5i s ARG 141 Ca 0.30 -0.69 -0.29 0.00 -0.52 0.00 0.00 55.73 54.53 2k5i s ARG 141 Cb 0.06 -0.63 -0.01 0.00 0.52 0.00 0.00 34.95 34.90 2k5i s ARG 141 CO 0.09 0.15 1.56 0.50 0.02 0.00 0.00 175.30 177.62 2k5i s ARG 142 N -1.19 3.56 -0.08 3.54 6.06 -1.26 -0.85 118.95 128.73 2k5i s ARG 142 Ca -0.03 1.24 0.07 0.00 -2.50 0.00 0.00 55.73 54.51 2k5i s ARG 142 Cb -0.08 -4.07 -0.10 0.00 0.06 0.00 0.00 34.95 30.76 2k5i s ARG 142 CO 0.01 -1.58 0.03 1.33 -2.50 0.00 0.00 175.30 172.59 2k5i n VAL 143 N 7.01 0.55 0.00 7.11 0.24 -0.75 -4.96 118.33 127.52 2k5i n VAL 143 Ca 0.19 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 2k5i n VAL 143 Cb 0.47 -0.79 0.00 0.00 -1.47 0.00 0.00 33.84 32.05 2k5i n VAL 143 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2k5i n SER 144 N -2.30 0.00 0.00 -1.34 2.88 -0.71 -4.84 113.62 107.31 2k5i n SER 144 Ca -0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 2k5i n SER 144 Cb 0.76 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.22 2k5i n SER 144 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2k5i n ASP 145 N 1.16 0.00 0.00 -3.46 2.03 -1.26 -3.76 116.55 111.26 2k5i n ASP 145 Ca 0.00 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.41 2k5i n ASP 145 Cb 0.00 0.00 0.61 0.00 -0.72 0.00 0.00 41.12 41.01 2k5i n ASP 145 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k5i n ALA 146 N 0.08 2.53 -0.12 -1.67 0.00 -1.26 -4.97 120.51 115.10 2k5i n ALA 146 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2k5i n ALA 146 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.11 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 0.70 -2.13 3.10 0.00 0.00 -1.25 -5.12 105.19 100.49 2k5i n GLY 147 Ca 0.16 -1.02 -0.24 0.00 0.00 0.00 0.00 46.02 44.91 2k5i n GLY 147 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k5i n GLU 148 N 0.53 0.67 -4.16 1.61 1.02 -1.26 -5.09 120.64 113.96 2k5i n GLU 148 Ca 0.00 -3.18 -0.26 0.00 -0.02 0.00 0.00 57.16 53.71 2k5i n GLU 148 Cb 0.00 1.53 -0.07 0.00 -0.02 0.00 0.00 31.44 32.89 2k5i n GLU 148 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2k5i s GLU 149 N -3.46 2.62 0.00 3.49 1.03 -1.26 -5.14 118.70 115.97 2k5i s GLU 149 Ca 0.15 -1.05 0.00 0.00 0.03 0.00 0.00 54.97 54.10 2k5i s GLU 149 Cb 0.01 -2.46 0.00 0.00 -0.80 0.00 0.00 34.13 30.88 2k5i s GLU 149 CO 0.10 0.45 0.00 0.45 -1.33 0.00 0.00 175.26 174.94 2k5i n SER 150 N -0.37 0.00 -4.76 0.83 2.88 -1.26 -5.04 113.62 105.90 2k5i n SER 150 Ca -0.09 -0.70 -0.41 0.00 -1.33 0.00 0.00 58.87 56.35 2k5i n SER 150 Cb 0.56 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.98 2k5i n SER 150 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2k5i s HIS 151 N -0.02 3.32 0.48 0.66 0.09 -1.26 -5.04 115.29 113.52 2k5i s HIS 151 Ca 0.00 1.50 -0.08 0.00 -0.00 0.00 0.00 55.06 56.48 2k5i s HIS 151 Cb 0.00 -3.49 0.11 0.00 -0.00 0.00 0.00 32.58 29.20 2k5i s HIS 151 CO 0.00 -1.28 0.59 -0.35 -0.00 0.00 0.00 174.74 173.70 2k5i n PRO 152 N 1.38 -0.89 -1.34 8.40 -0.04 -1.26 -5.05 135.00 136.19 2k5i n PRO 152 Ca 0.01 -0.92 -0.30 0.00 -0.04 0.00 0.00 63.50 62.25 2k5i n PRO 152 Cb 0.43 -0.66 0.10 0.00 -0.04 0.00 0.00 33.50 33.34 2k5i n PRO 152 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2k5i s GLN 153 N -4.30 2.02 -0.44 0.54 -2.07 -1.26 -5.02 119.66 109.14 2k5i s GLN 153 Ca 0.34 0.93 -0.18 0.00 -1.82 0.00 0.00 55.36 54.63 2k5i s GLN 153 Cb -0.01 -1.89 0.03 0.00 -1.09 0.00 0.00 33.01 30.05 2k5i s GLN 153 CO 0.25 -1.74 0.50 0.21 -1.32 0.00 0.00 175.29 173.19 2k5i s LYS 154 N -4.98 3.13 0.33 9.60 2.20 -1.26 -5.07 119.74 123.69 2k5i s LYS 154 Ca 0.61 -0.71 -0.14 0.00 -0.36 0.00 0.00 55.97 55.37 2k5i s LYS 154 Cb -0.16 -3.99 -0.08 0.00 -1.51 0.00 0.00 37.83 32.09 2k5i s LYS 154 CO 0.56 -0.94 0.73 -0.48 -0.36 0.00 0.00 175.35 174.86 2k5i s LEU 155 N 2.32 4.02 0.50 5.43 0.05 -1.26 -5.09 118.68 124.65 2k5i s LEU 155 Ca 0.14 1.23 0.04 0.00 0.05 0.00 0.00 54.13 55.59 2k5i s LEU 155 Cb -0.17 -4.04 0.03 0.00 -2.05 0.00 0.00 46.19 39.96 2k5i s LEU 155 CO 0.14 -0.24 0.70 -1.83 -0.55 0.00 0.00 176.35 174.57 2k5i s GLU 156 N -3.15 2.64 -0.10 1.48 -1.05 -1.26 -5.12 118.70 112.14 2k5i s GLU 156 Ca 0.53 -0.99 -0.00 0.00 -0.15 0.00 0.00 54.97 54.36 2k5i s GLU 156 Cb -0.10 -2.60 0.02 0.00 -0.44 0.00 0.00 34.13 31.01 2k5i s GLU 156 CO 0.20 -0.55 -0.07 -1.01 0.95 0.00 0.00 175.26 174.79 2k5i s HIS 157 N -2.60 1.32 0.49 4.83 3.76 -1.26 -5.14 115.29 116.69 2k5i s HIS 157 Ca 0.57 -0.61 -0.23 0.00 -0.15 0.00 0.00 55.06 54.64 2k5i s HIS 157 Cb -0.10 -1.12 -0.07 0.00 1.11 0.00 0.00 32.58 32.40 2k5i s HIS 157 CO 0.36 -0.45 1.30 -1.01 -0.85 0.00 0.00 174.74 174.09 2k5i s HIS 158 N 1.62 2.57 0.14 1.40 0.09 -1.26 -4.99 115.29 114.86 2k5i s HIS 158 Ca 0.02 1.42 -0.26 0.00 -0.00 0.00 0.00 55.06 56.24 2k5i s HIS 158 Cb -0.13 -3.66 -0.07 0.00 -0.00 0.00 0.00 32.58 28.72 2k5i s HIS 158 CO -0.06 -2.34 0.80 -1.58 -0.00 0.00 0.00 174.74 171.56 2k5i s HIS 159 N -1.36 3.87 0.24 1.40 5.04 -1.26 -5.06 115.29 118.16 2k5i s HIS 159 Ca 0.65 1.63 -0.23 0.00 -1.54 0.00 0.00 55.06 55.58 2k5i s HIS 159 Cb -0.37 -2.82 -0.09 0.00 0.04 0.00 0.00 32.58 29.35 2k5i s HIS 159 CO 0.45 0.43 0.81 -1.01 -2.34 0.00 0.00 174.74 173.08 2k5i s HIS 160 N -0.80 3.72 -0.23 3.88 3.76 -1.26 -4.99 115.29 119.37 2k5i s HIS 160 Ca 0.38 1.57 0.14 0.00 -0.15 0.00 0.00 55.06 57.00 2k5i s HIS 160 Cb -0.23 -2.75 0.71 0.00 1.11 0.00 0.00 32.58 31.43 2k5i s HIS 160 CO 0.26 0.33 1.65 1.58 -0.85 0.00 0.00 174.74 177.72 2k5i n HIS 161 N 0.85 1.76 -0.62 1.40 -0.00 -1.26 -5.35 115.22 111.99 2k5i n HIS 161 Ca -0.02 -0.87 0.00 0.00 0.46 0.00 0.00 57.72 57.30 2k5i n HIS 161 Cb 0.50 -0.48 0.00 0.00 -0.12 0.00 0.00 29.99 29.89 2k5i n HIS 161 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52