#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 3.87 0.60 3.17 1.02 -1.26 -0.94 119.74 126.20 2k5i s LYS 2 Ca 0.00 0.35 0.36 0.00 0.02 0.00 0.00 55.97 56.70 2k5i s LYS 2 Cb 0.00 -3.16 1.94 0.00 -0.52 0.00 0.00 37.83 36.08 2k5i s LYS 2 CO 0.00 0.66 2.23 1.37 -0.92 0.00 0.00 175.35 178.69 2k5i h LEU 3 N 4.46 0.00 -1.87 3.17 -0.00 -1.80 -2.14 115.31 117.12 2k5i h LEU 3 Ca -0.51 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 57.41 2k5i h LEU 3 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.86 2k5i h LEU 3 CO 0.62 0.03 0.18 0.28 -0.00 0.00 0.00 178.44 179.55 2k5i h SER 4 N 0.00 0.14 0.80 0.17 0.02 -1.89 -1.15 113.55 111.65 2k5i h SER 4 Ca -0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k5i h SER 4 Cb 0.15 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2k5i h SER 4 CO 0.00 0.10 -1.09 -2.11 -1.14 0.00 0.00 176.83 172.59 2k5i n ARG 5 N -4.49 0.55 -1.70 3.45 1.85 -0.81 -4.98 116.66 110.53 2k5i n ARG 5 Ca 0.02 0.07 -0.43 0.00 -1.00 0.00 0.00 57.85 56.51 2k5i n ARG 5 Cb 0.22 -1.75 -0.02 0.00 -1.05 0.00 0.00 32.46 29.86 2k5i n ARG 5 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 2k5i n LEU 6 N -2.49 3.54 -4.72 2.89 7.94 -0.44 -4.87 117.00 118.84 2k5i n LEU 6 Ca 0.00 1.16 -0.41 0.00 -1.11 0.00 0.00 56.01 55.65 2k5i n LEU 6 Cb 0.53 -1.48 -0.04 0.00 0.53 0.00 0.00 43.42 42.96 2k5i n LEU 6 CO 0.40 -0.34 0.65 -0.69 -1.11 0.00 0.00 177.39 176.31 2k5i s VAL 7 N -0.36 4.74 -0.24 1.96 1.01 -1.26 -4.93 120.40 121.31 2k5i s VAL 7 Ca 0.63 2.02 -0.36 0.00 0.00 0.00 0.00 61.98 64.27 2k5i s VAL 7 Cb -0.59 -4.30 -0.13 0.00 0.00 0.00 0.00 36.38 31.36 2k5i s VAL 7 CO 0.53 0.23 1.95 -2.65 0.00 0.00 0.00 175.10 175.17 2k5i n PRO 8 N 3.43 1.48 0.00 2.72 -0.02 -1.26 -1.25 135.00 140.09 2k5i n PRO 8 Ca 0.04 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2k5i n PRO 8 Cb 0.50 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 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 5.11 0.70 3.50 -1.23 0.00 0.47 -4.96 105.19 108.78 2k5i n GLY 9 Ca 0.30 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.00 4.77 0.51 1.61 1.01 -0.38 -5.01 120.40 120.91 2k5i s VAL 10 Ca 0.00 -0.06 -0.19 0.00 0.00 0.00 0.00 61.98 61.73 2k5i s VAL 10 Cb 0.00 -3.28 -0.07 0.00 0.00 0.00 0.00 36.38 33.03 2k5i s VAL 10 CO 0.00 0.26 1.04 -2.16 0.00 0.00 0.00 175.10 174.24 2k5i s PRO 11 N 1.68 3.70 0.36 2.72 0.04 -1.26 -3.93 135.00 138.30 2k5i s PRO 11 Ca 0.06 1.29 0.01 0.00 0.04 0.00 0.00 61.00 62.40 2k5i s PRO 11 Cb -0.16 -2.08 -0.00 0.00 0.04 0.00 0.00 34.50 32.30 2k5i s PRO 11 CO 0.07 -0.50 0.45 0.00 0.04 0.00 0.00 177.00 177.06 2k5i s ALA 12 N -2.14 1.09 -0.02 8.56 0.00 0.20 -0.62 121.76 128.83 2k5i s ALA 12 Ca 0.66 -1.70 0.01 0.00 0.00 0.00 0.00 51.96 50.93 2k5i s ALA 12 Cb -0.16 1.22 0.01 0.00 0.00 0.00 0.00 23.12 24.20 2k5i s ALA 12 CO 0.25 -0.77 -0.01 0.50 0.00 0.00 0.00 175.76 175.73 2k5i s ARG 13 N -2.98 0.27 -0.07 0.00 3.52 0.18 -0.03 118.95 119.85 2k5i s ARG 13 Ca 0.33 0.00 -0.30 0.00 -0.13 0.00 0.00 55.73 55.64 2k5i s ARG 13 Cb -0.00 -0.37 -0.05 0.00 -1.56 0.00 0.00 34.95 32.96 2k5i s ARG 13 CO 0.24 -0.05 1.68 0.42 -0.81 0.00 0.00 175.30 176.77 2k5i s ILE 14 N 0.56 3.56 -0.05 4.11 -1.09 0.31 0.38 121.20 128.97 2k5i s ILE 14 Ca -0.06 0.67 -0.03 0.00 -2.23 0.00 0.00 60.65 59.00 2k5i s ILE 14 Cb -0.08 -3.45 -0.01 0.00 -1.58 0.00 0.00 42.46 37.34 2k5i s ILE 14 CO -0.01 -0.08 -0.06 0.11 -1.23 0.00 0.00 174.94 173.67 2k5i h LYS 15 N 9.81 0.00 -2.78 2.79 1.57 -1.11 0.03 116.57 126.87 2k5i h LYS 15 Ca -0.39 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.34 2k5i h LYS 15 Cb 1.18 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.34 2k5i h LYS 15 CO 0.96 0.00 0.09 -0.98 -0.57 0.00 0.00 179.45 178.95 2k5i s ARG 16 N -1.43 1.10 -0.14 3.15 1.70 -1.09 -4.34 118.95 117.90 2k5i s ARG 16 Ca -0.05 -0.27 -0.00 0.00 -0.47 0.00 0.00 55.73 54.94 2k5i s ARG 16 Cb 0.01 0.51 -0.01 0.00 -0.57 0.00 0.00 34.95 34.88 2k5i s ARG 16 CO 0.07 -0.42 -0.13 -0.51 -1.08 0.00 0.00 175.30 173.23 2k5i s LEU 17 N -2.14 2.63 -0.05 -1.89 1.02 -1.26 -1.08 118.68 115.91 2k5i s LEU 17 Ca -0.04 -0.39 0.10 0.00 0.02 0.00 0.00 54.13 53.82 2k5i s LEU 17 Cb -0.00 -1.60 0.37 0.00 0.02 0.00 0.00 46.19 44.97 2k5i s LEU 17 CO -0.04 0.12 1.22 -0.62 0.02 0.00 0.00 176.35 177.05 2k5i n GLU 18 N 3.81 2.33 -4.04 1.70 1.02 0.36 -4.93 120.64 120.88 2k5i n GLU 18 Ca -0.18 -1.46 -0.34 0.00 -0.02 0.00 0.00 57.16 55.15 2k5i n GLU 18 Cb 0.52 -1.54 -0.07 0.00 -0.02 0.00 0.00 31.44 30.34 2k5i n GLU 18 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2k5i s VAL 19 N -1.66 5.02 0.04 2.62 0.11 -1.26 -5.04 120.40 120.23 2k5i s VAL 19 Ca 0.26 -0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 2k5i s VAL 19 Cb 0.16 -3.25 -0.03 0.00 -1.53 0.00 0.00 36.38 31.74 2k5i s VAL 19 CO 0.13 0.47 -0.04 -0.94 -3.33 0.00 0.00 175.10 171.39 2k5i s SER 20 N -1.43 0.48 0.00 3.54 1.04 -1.26 -4.54 113.70 111.53 2k5i s SER 20 Ca 0.20 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.96 2k5i s SER 20 Cb -0.12 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.11 2k5i s SER 20 CO 0.10 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.57 2k5i n GLY 21 N 1.10 -1.12 5.00 7.32 0.00 -1.26 -4.68 105.19 111.54 2k5i n GLY 21 Ca -0.20 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2k5i n GLY 21 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k5i n GLU 22 N -0.05 0.00 -0.20 1.61 1.02 -1.26 -4.41 120.64 117.36 2k5i n GLU 22 Ca 0.00 0.00 0.20 0.00 -0.02 0.00 0.00 57.16 57.34 2k5i n GLU 22 Cb 0.00 0.00 0.57 0.00 -0.02 0.00 0.00 31.44 31.99 2k5i n GLU 22 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2k5i h LEU 23 N 0.00 0.29 0.53 -4.62 5.85 -1.96 -1.21 115.31 114.19 2k5i h LEU 23 Ca 0.00 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 2k5i h LEU 23 Cb 0.00 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.01 2k5i h LEU 23 CO 0.00 0.12 -0.25 -0.74 -0.34 0.00 0.00 178.44 177.23 2k5i h HIS 24 N 0.30 -0.66 0.00 1.25 2.76 -1.80 0.86 115.15 117.86 2k5i h HIS 24 Ca 0.43 -0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.51 2k5i h HIS 24 Cb 1.21 0.22 -0.01 0.00 1.55 0.00 0.00 27.41 30.37 2k5i h HIS 24 CO -0.00 -0.40 -0.32 1.05 -1.30 0.00 0.00 177.93 176.96 2k5i h GLU 25 N -0.73 0.00 -0.37 5.26 4.11 -1.75 -1.45 114.58 119.65 2k5i h GLU 25 Ca -0.07 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.33 2k5i h GLU 25 Cb 0.55 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 2k5i h GLU 25 CO 0.12 0.32 0.12 -0.22 0.07 0.00 0.00 179.01 179.42 2k5i h LYS 26 N 0.00 0.57 0.20 1.06 3.64 -0.98 -1.77 116.57 119.29 2k5i h LYS 26 Ca -0.00 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 2k5i h LYS 26 Cb 0.67 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2k5i h LYS 26 CO 0.04 0.58 -0.10 -0.07 -2.27 0.00 0.00 179.45 177.63 2k5i h LEU 27 N 0.45 -0.23 -1.67 5.20 3.38 -0.40 -2.71 115.31 119.32 2k5i h LEU 27 Ca 0.12 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.83 2k5i h LEU 27 Cb 0.24 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2k5i h LEU 27 CO -0.01 0.21 0.25 -0.37 0.09 0.00 0.00 178.44 178.61 2k5i h VAL 28 N -0.73 1.05 -0.74 1.22 -1.51 -1.37 -0.67 116.25 113.49 2k5i h VAL 28 Ca -0.03 -0.15 -0.06 0.00 -1.23 0.00 0.00 66.70 65.23 2k5i h VAL 28 Cb 0.50 0.58 -0.03 0.00 -2.13 0.00 0.00 31.29 30.21 2k5i h VAL 28 CO 0.05 0.08 0.22 1.23 -1.23 0.00 0.00 177.57 177.91 2k5i h GLY 29 N 0.44 1.25 2.00 5.19 0.00 -1.32 -2.82 103.07 107.81 2k5i h GLY 29 Ca 0.15 -0.76 -0.12 0.00 0.00 0.00 0.00 47.33 46.60 2k5i h GLY 29 CO -0.03 0.71 -0.58 -0.33 0.00 0.00 0.00 176.54 176.31 2k5i h MET 30 N 1.11 0.00 0.00 4.80 2.07 -0.92 -3.47 114.93 118.53 2k5i h MET 30 Ca 0.24 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.87 2k5i h MET 30 Cb 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.06 2k5i h MET 30 CO -0.00 0.58 0.00 0.41 1.07 0.00 0.00 176.91 178.96 2k5i n GLY 31 N 0.26 0.15 3.49 8.32 0.00 -0.40 -4.96 105.19 112.05 2k5i n GLY 31 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2k5i n GLY 31 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2k5i n PHE 32 N 0.00 3.15 -4.83 1.61 3.01 -0.41 -4.90 117.46 115.09 2k5i n PHE 32 Ca 0.00 -1.90 -0.26 0.00 1.01 0.00 0.00 57.45 56.30 2k5i n PHE 32 Cb 0.00 -2.52 -0.16 0.00 -0.01 0.00 0.00 39.48 36.79 2k5i n PHE 32 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 2k5i s VAL 33 N 8.38 1.41 -0.34 -4.37 -7.23 -1.26 -3.76 120.40 113.23 2k5i s VAL 33 Ca 0.63 -0.72 -0.37 0.00 -1.81 0.00 0.00 61.98 59.70 2k5i s VAL 33 Cb 0.03 -1.20 -0.13 0.00 0.56 0.00 0.00 36.38 35.63 2k5i s VAL 33 CO 0.11 0.41 2.09 -2.65 -0.31 0.00 0.00 175.10 174.74 2k5i n PRO 34 N 3.02 1.01 0.00 4.82 -0.02 -1.26 -2.51 135.00 140.07 2k5i n PRO 34 Ca -0.17 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 2k5i n PRO 34 Cb 0.53 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 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 6.13 1.20 3.80 -1.23 0.00 -0.00 -5.01 105.19 110.07 2k5i n GLY 35 Ca 0.39 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 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 4.45 0.22 1.61 0.41 -1.04 -4.75 118.70 119.60 2k5i s GLU 36 Ca 0.00 1.25 -0.24 0.00 -0.41 0.00 0.00 54.97 55.57 2k5i s GLU 36 Cb 0.00 -2.57 -0.08 0.00 -1.78 0.00 0.00 34.13 29.70 2k5i s GLU 36 CO 0.00 0.16 0.80 -1.21 -0.49 0.00 0.00 175.26 174.52 2k5i s GLU 37 N -2.47 4.49 0.04 1.61 8.01 -1.26 -0.53 118.70 128.58 2k5i s GLU 37 Ca 0.55 1.11 0.02 0.00 0.01 0.00 0.00 54.97 56.66 2k5i s GLU 37 Cb -0.15 -3.05 -0.02 0.00 -4.31 0.00 0.00 34.13 26.59 2k5i s GLU 37 CO 0.20 0.46 -0.08 -1.50 0.01 0.00 0.00 175.26 174.35 2k5i s ILE 38 N -1.36 0.57 -0.00 -1.63 2.07 0.96 -3.98 121.20 117.84 2k5i s ILE 38 Ca 0.41 -0.95 0.01 0.00 -1.41 0.00 0.00 60.65 58.70 2k5i s ILE 38 Cb -0.20 -0.61 0.00 0.00 0.13 0.00 0.00 42.46 41.78 2k5i s ILE 38 CO 0.24 -0.28 -0.02 -1.83 -1.91 0.00 0.00 174.94 171.15 2k5i s GLU 39 N -1.34 0.18 -0.11 3.50 -1.05 -0.87 0.60 118.70 119.61 2k5i s GLU 39 Ca -0.07 -0.05 -0.25 0.00 -0.15 0.00 0.00 54.97 54.45 2k5i s GLU 39 Cb -0.09 -0.20 -0.03 0.00 -0.44 0.00 0.00 34.13 33.38 2k5i s GLU 39 CO 0.00 0.02 0.77 0.42 0.95 0.00 0.00 175.26 177.43 2k5i s ILE 40 N 0.08 4.97 -0.20 1.83 -1.09 -1.25 -0.22 121.20 125.31 2k5i s ILE 40 Ca -0.00 1.56 -0.16 0.00 -2.23 0.00 0.00 60.65 59.82 2k5i s ILE 40 Cb -0.02 -4.10 -0.08 0.00 -1.58 0.00 0.00 42.46 36.68 2k5i s ILE 40 CO -0.00 0.15 -0.30 0.52 -1.23 0.00 0.00 174.94 174.08 2k5i n VAL 41 N 4.21 1.50 -3.89 2.92 0.31 0.39 -0.40 118.33 123.37 2k5i n VAL 41 Ca 0.02 -0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.25 2k5i n VAL 41 Cb 0.50 -2.21 -0.09 0.00 -0.91 0.00 0.00 33.84 31.13 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 -2.69 0.68 0.01 5.55 -2.07 -1.23 -4.61 119.66 115.31 2k5i s GLN 42 Ca -0.30 -0.77 0.05 0.00 -1.82 0.00 0.00 55.36 52.53 2k5i s GLN 42 Cb 0.07 0.27 -0.02 0.00 -1.09 0.00 0.00 33.01 32.24 2k5i s GLN 42 CO 0.43 -0.19 -0.16 0.08 -1.32 0.00 0.00 175.29 174.13 2k5i s VAL 43 N -2.89 1.31 0.54 3.63 1.01 -1.26 -1.60 120.40 121.13 2k5i s VAL 43 Ca -0.03 -0.87 -0.15 0.00 0.00 0.00 0.00 61.98 60.93 2k5i s VAL 43 Cb 0.00 -1.12 -0.07 0.00 0.00 0.00 0.00 36.38 35.20 2k5i s VAL 43 CO -0.06 0.24 1.00 0.00 0.00 0.00 0.00 175.10 176.28 2k5i s ALA 44 N -0.58 3.05 -1.43 5.51 0.00 -1.03 -4.95 121.76 122.33 2k5i s ALA 44 Ca 0.05 0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.18 2k5i s ALA 44 Cb -0.07 -3.12 0.09 0.00 0.00 0.00 0.00 23.12 20.02 2k5i s ALA 44 CO 0.00 -0.35 0.86 -0.35 0.00 0.00 0.00 175.76 175.92 2k5i n PRO 45 N -1.82 0.03 -0.18 0.00 -0.04 -1.26 -0.84 135.00 130.88 2k5i n PRO 45 Ca 0.07 0.27 0.07 0.00 -0.04 0.00 0.00 63.50 63.86 2k5i n PRO 45 Cb 0.54 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.67 2k5i n PRO 45 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2k5i n LEU 46 N -1.28 2.98 0.00 1.53 4.32 -1.26 -4.96 117.00 118.33 2k5i n LEU 46 Ca 0.01 -1.82 0.00 0.00 -0.02 0.00 0.00 56.01 54.18 2k5i n LEU 46 Cb 0.01 -0.24 0.00 0.00 -1.62 0.00 0.00 43.42 41.58 2k5i n LEU 46 CO 0.01 0.72 0.00 0.61 -1.22 0.00 0.00 177.39 177.51 2k5i n GLY 47 N 0.78 2.88 3.19 -0.72 0.00 -0.02 -4.99 105.19 106.31 2k5i n GLY 47 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 0.58 0.16 0.54 1.61 -4.77 -1.26 -4.50 116.67 109.03 2k5i s ASP 48 Ca 0.00 -0.66 -0.17 0.00 -3.30 0.00 0.00 52.55 48.41 2k5i s ASP 48 Cb 0.00 0.31 -0.06 0.00 -1.09 0.00 0.00 42.92 42.08 2k5i s ASP 48 CO 0.00 -0.69 1.03 -2.16 0.70 0.00 0.00 175.17 174.05 2k5i s PRO 49 N -3.71 3.63 -0.10 2.11 0.04 -1.26 -4.61 135.00 131.09 2k5i s PRO 49 Ca 0.04 1.18 -0.02 0.00 0.04 0.00 0.00 61.00 62.24 2k5i s PRO 49 Cb 0.05 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 2k5i s PRO 49 CO -0.10 -0.55 -0.02 0.96 0.04 0.00 0.00 177.00 177.32 2k5i s ILE 50 N -2.36 4.06 -0.36 0.56 -0.00 0.18 -2.46 121.20 120.81 2k5i s ILE 50 Ca 0.63 -0.33 -0.15 0.00 -0.00 0.00 0.00 60.65 60.80 2k5i s ILE 50 Cb -0.14 -2.72 -0.00 0.00 -0.00 0.00 0.00 42.46 39.60 2k5i s ILE 50 CO 0.30 0.57 0.34 -0.69 -0.00 0.00 0.00 174.94 175.46 2k5i s VAL 51 N -0.50 5.19 -0.13 8.37 1.01 -0.63 -1.33 120.40 132.39 2k5i s VAL 51 Ca 0.08 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.92 2k5i s VAL 51 Cb -0.12 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.42 2k5i s VAL 51 CO 0.02 -0.16 -0.21 0.00 0.00 0.00 0.00 175.10 174.75 2k5i s LYS 53 N 0.69 4.00 -0.17 0.00 1.02 0.69 -0.24 119.74 125.73 2k5i s LYS 53 Ca -0.10 0.85 -0.01 0.00 0.02 0.00 0.00 55.97 56.74 2k5i s LYS 53 Cb -0.16 -3.75 -0.00 0.00 -0.52 0.00 0.00 37.83 33.40 2k5i s LYS 53 CO 0.01 -0.85 -0.13 0.42 -0.92 0.00 0.00 175.35 173.88 2k5i s ILE 54 N 3.43 2.80 -1.25 2.17 1.01 0.78 -2.05 121.20 128.09 2k5i s ILE 54 Ca 0.41 -0.71 -0.07 0.00 0.00 0.00 0.00 60.65 60.27 2k5i s ILE 54 Cb -0.13 -2.20 -0.01 0.00 0.01 0.00 0.00 42.46 40.13 2k5i s ILE 54 CO 0.15 0.50 0.69 0.61 0.00 0.00 0.00 174.94 176.89 2k5i n GLY 55 N 4.25 -0.57 4.11 6.18 0.00 -1.26 -2.26 105.19 115.65 2k5i n GLY 55 Ca -0.19 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2k5i n GLY 55 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k5i n ASN 56 N -2.94 0.00 -4.86 1.61 2.85 -1.26 -4.96 115.26 105.69 2k5i n ASN 56 Ca -0.22 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 53.93 2k5i n ASN 56 Cb 0.65 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.61 2k5i n ASN 56 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k5i s ARG 57 N 0.00 3.93 -0.13 1.20 1.70 -0.96 -4.98 118.95 119.71 2k5i s ARG 57 Ca 0.00 0.54 -0.20 0.00 -0.47 0.00 0.00 55.73 55.60 2k5i s ARG 57 Cb 0.00 -2.49 -0.03 0.00 -0.57 0.00 0.00 34.95 31.86 2k5i s ARG 57 CO 0.00 0.19 0.59 -0.80 -1.08 0.00 0.00 175.30 174.20 2k5i s ASN 58 N -2.36 6.76 -0.14 -2.89 -0.87 -1.26 -0.16 114.94 114.02 2k5i s ASN 58 Ca 0.52 0.91 0.01 0.00 -1.57 0.00 0.00 52.86 52.74 2k5i s ASN 58 Cb -0.10 -2.34 -0.00 0.00 -0.02 0.00 0.00 41.25 38.78 2k5i s ASN 58 CO 0.19 -0.13 -0.18 -0.63 -2.57 0.00 0.00 177.10 173.78 2k5i s ILE 59 N 1.15 2.49 -0.26 0.60 -1.09 0.67 -4.95 121.20 119.81 2k5i s ILE 59 Ca 0.30 -0.84 -0.16 0.00 -2.23 0.00 0.00 60.65 57.72 2k5i s ILE 59 Cb -0.16 -2.02 -0.03 0.00 -1.58 0.00 0.00 42.46 38.66 2k5i s ILE 59 CO 0.12 0.53 0.42 -0.89 -1.23 0.00 0.00 174.94 173.90 2k5i s THR 60 N 0.66 5.14 0.15 2.92 2.01 -1.26 -0.73 115.64 124.53 2k5i s THR 60 Ca -0.09 0.69 0.11 0.00 0.31 0.00 0.00 61.69 62.71 2k5i s THR 60 Cb -0.16 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 2k5i s THR 60 CO 0.02 0.15 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.09 2k5i s LEU 61 N 2.03 2.35 0.59 4.42 2.01 -0.44 -4.96 118.68 124.68 2k5i s LEU 61 Ca 0.18 -0.78 -0.02 0.00 0.01 0.00 0.00 54.13 53.51 2k5i s LEU 61 Cb -0.16 -1.16 0.03 0.00 0.01 0.00 0.00 46.19 44.91 2k5i s LEU 61 CO 0.09 0.15 0.85 -0.13 1.01 0.00 0.00 176.35 178.32 2k5i s ARG 62 N -2.24 2.57 0.02 1.70 1.81 -1.26 -0.64 118.95 120.91 2k5i s ARG 62 Ca 0.15 -0.48 -0.27 0.00 -1.72 0.00 0.00 55.73 53.41 2k5i s ARG 62 Cb -0.09 -2.38 -0.16 0.00 -0.45 0.00 0.00 34.95 31.87 2k5i s ARG 62 CO 0.07 -0.80 1.27 -0.22 -0.68 0.00 0.00 175.30 174.94 2k5i h LYS 63 N -0.11 -0.64 -0.68 3.54 3.64 -1.92 -0.07 116.57 120.32 2k5i h LYS 63 Ca -0.44 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.04 2k5i h LYS 63 Cb 1.29 0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 33.21 2k5i h LYS 63 CO 0.56 -0.34 0.45 0.07 -2.27 0.00 0.00 179.45 177.93 2k5i h ARG 64 N -0.93 0.70 0.06 1.90 0.11 -1.98 0.57 114.38 114.81 2k5i h ARG 64 Ca -0.07 -0.04 -0.00 0.00 0.10 0.00 0.00 59.98 59.97 2k5i h ARG 64 Cb 0.60 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 31.52 2k5i h ARG 64 CO 0.11 0.46 -0.03 0.93 0.10 0.00 0.00 179.97 181.55 2k5i h GLU 65 N 0.72 -0.07 0.00 0.08 4.39 -1.95 -3.20 114.58 114.55 2k5i h GLU 65 Ca 0.29 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.98 2k5i h GLU 65 Cb 0.23 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2k5i h GLU 65 CO -0.09 0.48 -0.07 0.00 -1.16 0.00 0.00 179.01 178.16 2k5i h ALA 66 N 0.15 1.12 0.00 3.43 0.00 -0.84 -2.48 119.26 120.64 2k5i h ALA 66 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2k5i h ALA 66 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2k5i h ALA 66 CO 0.01 0.09 0.00 -3.47 0.00 0.00 0.00 179.25 175.88 2k5i n ASP 67 N -3.34 0.00 -0.92 0.00 2.03 0.18 -1.63 116.55 112.86 2k5i n ASP 67 Ca -0.01 0.40 0.09 0.00 0.52 0.00 0.00 54.79 55.79 2k5i n ASP 67 Cb 0.24 -0.43 0.19 0.00 -0.72 0.00 0.00 41.12 40.41 2k5i n ASP 67 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2k5i n LEU 68 N -1.43 3.16 -4.28 -2.67 4.77 -0.93 -4.94 117.00 110.69 2k5i n LEU 68 Ca 0.01 -1.68 -0.34 0.00 -0.03 0.00 0.00 56.01 53.97 2k5i n LEU 68 Cb 0.05 -0.25 -0.15 0.00 -2.33 0.00 0.00 43.42 40.74 2k5i n LEU 68 CO 0.04 0.73 -0.44 -0.63 -1.33 0.00 0.00 177.39 175.76 2k5i s ILE 69 N -1.15 2.97 -0.23 -0.08 1.09 -0.65 -0.49 121.20 122.66 2k5i s ILE 69 Ca 0.32 -0.65 -0.17 0.00 -1.10 0.00 0.00 60.65 59.05 2k5i s ILE 69 Cb 0.18 -2.30 -0.03 0.00 -1.06 0.00 0.00 42.46 39.24 2k5i s ILE 69 CO 0.24 0.48 0.44 -0.70 -0.10 0.00 0.00 174.94 175.30 2k5i s GLU 70 N 1.11 4.11 0.38 2.79 2.56 -0.24 -3.76 118.70 125.65 2k5i s GLU 70 Ca 0.01 0.23 0.08 0.00 0.00 0.00 0.00 54.97 55.29 2k5i s GLU 70 Cb -0.14 -3.60 -0.07 0.00 2.00 0.00 0.00 34.13 32.31 2k5i s GLU 70 CO -0.03 -0.19 -0.03 0.14 -0.56 0.00 0.00 175.26 174.59 2k5i s VAL 71 N 1.79 2.06 -0.09 3.70 -7.23 -0.12 -0.50 120.40 120.01 2k5i s VAL 71 Ca 0.19 -2.08 0.03 0.00 -1.81 0.00 0.00 61.98 58.31 2k5i s VAL 71 Cb -0.15 -2.84 0.01 0.00 0.56 0.00 0.00 36.38 33.95 2k5i s VAL 71 CO 0.09 -0.09 -0.19 -0.70 -0.31 0.00 0.00 175.10 173.91 2k5i s GLU 72 N -3.68 2.45 -0.05 4.82 2.56 0.16 -3.75 118.70 121.22 2k5i s GLU 72 Ca 0.34 -0.67 -0.30 0.00 0.00 0.00 0.00 54.97 54.34 2k5i s GLU 72 Cb 0.07 -1.93 -0.05 0.00 2.00 0.00 0.00 34.13 34.22 2k5i s GLU 72 CO 0.17 0.08 1.60 0.08 -0.56 0.00 0.00 175.26 176.64 2k5i s VAL 73 N 0.56 3.62 -0.69 3.70 1.01 -1.26 0.48 120.40 127.82 2k5i s VAL 73 Ca -0.15 0.79 0.22 0.00 0.00 0.00 0.00 61.98 62.84 2k5i s VAL 73 Cb -0.17 -3.51 -0.21 0.00 0.00 0.00 0.00 36.38 32.49 2k5i s VAL 73 CO 0.05 -0.06 0.88 0.52 0.00 0.00 0.00 175.10 176.49 2k5i n VAL 74 N 5.37 0.04 0.63 2.92 0.31 0.21 -4.49 118.33 123.32 2k5i n VAL 74 Ca 0.17 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2k5i n VAL 74 Cb 0.43 0.54 0.00 0.00 -0.91 0.00 0.00 33.84 33.90 2k5i n VAL 74 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k5i n GLY 75 N 1.41 1.04 5.14 2.92 0.00 -1.11 -4.86 105.19 109.74 2k5i n GLY 75 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.35 2.28 3.65 -0.02 0.00 -1.26 -4.81 105.19 105.37 2k5i n GLY 76 Ca 0.00 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 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 2.02 -0.02 1.61 1.03 -1.26 -5.02 118.70 117.06 2k5i s GLU 77 Ca 0.00 -2.01 0.05 0.00 0.03 0.00 0.00 54.97 53.03 2k5i s GLU 77 Cb 0.00 -1.74 -0.01 0.00 -0.80 0.00 0.00 34.13 31.58 2k5i s GLU 77 CO 0.00 -0.04 -0.17 -0.48 -1.33 0.00 0.00 175.26 173.24 2k5i s LEU 78 N -3.75 1.99 0.59 1.83 2.34 -0.72 -4.95 118.68 116.01 2k5i s LEU 78 Ca 0.36 -0.31 -0.19 0.00 0.06 0.00 0.00 54.13 54.05 2k5i s LEU 78 Cb 0.07 -0.89 -0.05 0.00 -0.56 0.00 0.00 46.19 44.77 2k5i s LEU 78 CO 0.19 0.19 1.08 -0.81 -1.06 0.00 0.00 176.35 175.94 2k5i n PRO 79 N 2.81 1.09 -0.27 1.48 -0.04 -1.26 -0.77 135.00 138.05 2k5i n PRO 79 Ca -0.16 0.42 0.20 0.00 -0.04 0.00 0.00 63.50 63.92 2k5i n PRO 79 Cb 0.54 -2.28 0.50 0.00 -0.04 0.00 0.00 33.50 32.22 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 0.72 0.44 -1.65 1.53 7.12 -0.03 0.13 115.31 123.57 2k5i h LEU 80 Ca -0.49 0.05 -0.02 0.00 0.13 0.00 0.00 57.88 57.55 2k5i h LEU 80 Cb 1.35 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 41.44 2k5i h LEU 80 CO 0.53 0.16 0.02 -0.29 -0.13 0.00 0.00 178.44 178.72 2k5i h ILE 81 N 0.43 1.10 0.00 4.05 6.09 -1.64 -1.86 117.51 125.68 2k5i h ILE 81 Ca 0.50 -0.38 0.00 0.00 -1.37 0.00 0.00 64.86 63.62 2k5i h ILE 81 Cb 1.23 0.96 0.00 0.00 0.47 0.00 0.00 36.82 39.48 2k5i h ILE 81 CO -0.21 0.13 0.00 0.18 -3.07 0.00 0.00 178.15 175.18 2k5i n LEU 82 N -4.41 0.14 -4.67 2.19 4.77 0.43 -4.87 117.00 110.57 2k5i n LEU 82 Ca -0.00 0.51 -0.42 0.00 -0.03 0.00 0.00 56.01 56.07 2k5i n LEU 82 Cb 0.16 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 2k5i n LEU 82 CO 0.36 -0.04 1.52 0.00 -1.33 0.00 0.00 177.39 177.90 2k5i s ALA 83 N -3.02 3.65 1.04 -1.18 0.00 -0.70 -4.97 121.76 116.58 2k5i s ALA 83 Ca 0.13 1.31 -0.07 0.00 0.00 0.00 0.00 51.96 53.34 2k5i s ALA 83 Cb 0.18 -3.80 0.09 0.00 0.00 0.00 0.00 23.12 19.59 2k5i s ALA 83 CO 0.53 -1.42 0.45 -0.25 0.00 0.00 0.00 175.76 175.07 2k5i n ASP 84 N 6.79 -0.59 -4.76 0.00 8.00 -1.26 -5.00 116.55 119.73 2k5i n ASP 84 Ca 0.19 -0.99 -0.41 0.00 0.71 0.00 0.00 54.79 54.29 2k5i n ASP 84 Cb 0.40 -0.37 -0.02 0.00 -0.02 0.00 0.00 41.12 41.11 2k5i n ASP 84 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2k5i s ASP 85 N -2.69 6.79 0.00 -2.24 -4.77 -1.26 -4.81 116.67 107.69 2k5i s ASP 85 Ca 0.27 2.61 0.00 0.00 -3.30 0.00 0.00 52.55 52.13 2k5i s ASP 85 Cb -0.02 -2.63 0.00 0.00 -1.09 0.00 0.00 42.92 39.18 2k5i s ASP 85 CO 0.20 -0.55 0.00 0.61 0.70 0.00 0.00 175.17 176.12 2k5i n GLY 86 N 1.44 2.11 3.80 2.12 0.00 -1.25 -4.65 105.19 108.75 2k5i n GLY 86 Ca 0.03 -2.09 -0.38 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.65 5.13 0.43 2.61 2.01 -1.26 -2.74 115.64 120.17 2k5i s THR 87 Ca 0.00 0.79 0.05 0.00 0.31 0.00 0.00 61.69 62.84 2k5i s THR 87 Cb 0.00 -3.71 -0.06 0.00 0.01 0.00 0.00 72.50 68.74 2k5i s THR 87 CO 0.00 0.50 0.01 -0.31 -0.69 0.00 0.00 174.62 174.13 2k5i s TYR 88 N -0.50 2.32 -0.13 4.92 1.51 -0.46 -0.67 117.35 124.35 2k5i s TYR 88 Ca 0.23 -0.76 0.02 0.00 -1.01 0.00 0.00 57.07 55.55 2k5i s TYR 88 Cb -0.16 -1.72 0.01 0.00 -0.11 0.00 0.00 41.96 39.99 2k5i s TYR 88 CO 0.11 0.37 -0.20 -2.00 -1.11 0.00 0.00 175.55 172.72 2k5i s GLU 89 N -3.76 2.79 0.19 -0.62 2.12 0.40 -0.18 118.70 119.64 2k5i s GLU 89 Ca 0.27 -0.77 -0.30 0.00 0.36 0.00 0.00 54.97 54.53 2k5i s GLU 89 Cb 0.08 -2.28 -0.09 0.00 0.26 0.00 0.00 34.13 32.10 2k5i s GLU 89 CO 0.14 -0.03 1.33 -1.50 -0.54 0.00 0.00 175.26 174.66 2k5i s ILE 90 N 0.88 3.17 -0.08 -3.70 2.07 -0.84 -0.30 121.20 122.39 2k5i s ILE 90 Ca -0.07 0.95 0.02 0.00 -1.41 0.00 0.00 60.65 60.14 2k5i s ILE 90 Cb -0.15 -3.61 -0.06 0.00 0.13 0.00 0.00 42.46 38.77 2k5i s ILE 90 CO -0.02 0.14 -0.05 1.07 -1.91 0.00 0.00 174.94 174.16 2k5i n THR 91 N 2.74 0.45 -3.64 4.00 5.66 0.11 -1.93 114.28 121.68 2k5i n THR 91 Ca 0.07 -0.19 -0.12 0.00 -3.05 0.00 0.00 64.05 60.75 2k5i n THR 91 Cb 0.42 -0.79 -0.06 0.00 -1.55 0.00 0.00 70.33 68.35 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 -2.16 0.98 0.22 1.09 -2.85 -1.22 -4.91 119.74 110.90 2k5i s LYS 92 Ca -0.09 -0.41 0.10 0.00 -1.00 0.00 0.00 55.97 54.56 2k5i s LYS 92 Cb 0.03 0.44 -0.04 0.00 -2.06 0.00 0.00 37.83 36.19 2k5i s LYS 92 CO 0.20 -0.35 -0.08 -0.51 0.10 0.00 0.00 175.35 174.70 2k5i s LEU 93 N -2.18 2.97 -0.04 2.77 2.01 -1.26 -1.51 118.68 121.44 2k5i s LEU 93 Ca -0.03 -0.68 0.00 0.00 0.01 0.00 0.00 54.13 53.43 2k5i s LEU 93 Cb -0.00 -1.58 0.03 0.00 0.01 0.00 0.00 46.19 44.64 2k5i s LEU 93 CO -0.04 0.06 -0.01 0.20 1.01 0.00 0.00 176.35 177.57 2k5i s ASN 94 N -3.21 0.78 0.00 2.29 0.01 -0.46 -5.00 114.94 109.36 2k5i s ASN 94 Ca 0.28 -0.05 0.00 0.00 -0.71 0.00 0.00 52.86 52.38 2k5i s ASN 94 Cb -0.07 -0.30 0.00 0.00 0.41 0.00 0.00 41.25 41.28 2k5i s ASN 94 CO 0.17 -0.12 0.00 0.61 -1.51 0.00 0.00 177.10 176.25 2k5i n GLY 95 N 4.37 0.56 3.86 0.66 0.00 -1.26 -4.76 105.19 108.62 2k5i n GLY 95 Ca -0.21 -1.78 -0.31 0.00 0.00 0.00 0.00 46.02 43.71 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 1.79 0.32 -0.02 0.00 -1.26 -4.84 107.32 103.31 2k5i s GLY 96 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 44.72 44.77 2k5i s GLY 96 CO 0.00 0.28 1.87 -0.09 0.00 0.00 0.00 173.10 175.16 2k5i h ARG 97 N 0.06 0.85 -0.84 2.90 2.43 -2.00 0.62 114.38 118.40 2k5i h ARG 97 Ca -0.45 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 2k5i h ARG 97 Cb 1.19 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.51 2k5i h ARG 97 CO 0.62 0.56 0.47 0.00 -1.51 0.00 0.00 179.97 180.11 2k5i h ARG 98 N 0.88 1.17 -0.27 0.20 3.08 -1.99 0.45 114.38 117.89 2k5i h ARG 98 Ca 0.45 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.33 2k5i h ARG 98 Cb 0.50 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 2k5i h ARG 98 CO -0.21 0.85 0.02 0.35 -1.07 0.00 0.00 179.97 179.91 2k5i h PHE 99 N 1.17 0.50 -0.83 3.04 3.57 -1.34 -2.71 116.94 120.33 2k5i h PHE 99 Ca 0.30 -0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.74 2k5i h PHE 99 Cb 0.01 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.57 2k5i h PHE 99 CO 0.00 0.60 0.54 -0.07 -2.23 0.00 0.00 178.31 177.15 2k5i h LEU 100 N 0.26 0.90 -0.46 0.59 3.38 -0.71 -1.90 115.31 117.36 2k5i h LEU 100 Ca 0.08 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.09 2k5i h LEU 100 Cb 0.39 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 2k5i h LEU 100 CO 0.01 0.63 0.20 0.15 0.09 0.00 0.00 178.44 179.52 2k5i h PHE 101 N 1.06 0.37 -0.42 1.13 3.57 -0.85 -1.64 116.94 120.16 2k5i h PHE 101 Ca 0.33 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.92 2k5i h PHE 101 Cb -0.02 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.56 2k5i h PHE 101 CO -0.02 0.16 0.07 0.00 -2.23 0.00 0.00 178.31 176.29 2k5i h ARG 102 N 0.41 0.19 -0.28 1.11 3.08 -1.08 -2.11 114.38 115.70 2k5i h ARG 102 Ca 0.21 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.29 2k5i h ARG 102 Cb 0.16 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 2k5i h ARG 102 CO -0.18 0.13 0.05 0.52 -1.07 0.00 0.00 179.97 179.42 2k5i h MET 103 N 0.20 0.15 -0.55 0.04 2.86 -0.64 -0.25 114.93 116.74 2k5i h MET 103 Ca 0.20 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.79 2k5i h MET 103 Cb 0.26 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 2k5i h MET 103 CO -0.28 0.10 0.17 0.87 1.06 0.00 0.00 176.91 178.83 2k5i h LYS 104 N 0.16 0.81 0.00 1.72 1.57 -1.10 0.08 116.57 119.81 2k5i h LYS 104 Ca 0.13 -0.15 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 2k5i h LYS 104 Cb 0.14 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 2k5i h LYS 104 CO -0.17 0.70 -0.50 -0.91 -0.57 0.00 0.00 179.45 178.00 2k5i h ASN 105 N 0.79 0.00 0.78 0.86 2.35 -0.91 -3.19 115.58 116.26 2k5i h ASN 105 Ca 0.18 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.68 2k5i h ASN 105 Cb 0.23 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 2k5i h ASN 105 CO -0.01 0.50 -1.19 -0.07 -1.65 0.00 0.00 177.43 175.01 2k5i h LEU 106 N 0.00 0.20 0.00 1.61 -0.00 -0.67 -3.49 115.31 112.96 2k5i h LEU 106 Ca -0.01 -0.22 0.00 0.00 -0.00 0.00 0.00 57.88 57.65 2k5i h LEU 106 Cb 1.24 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.83 2k5i h LEU 106 CO 0.07 1.18 0.00 0.61 -0.00 0.00 0.00 178.44 180.29 2k5i n GLY 107 N 1.46 4.24 3.36 0.83 0.00 -0.04 -4.79 105.19 110.27 2k5i n GLY 107 Ca -0.06 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 2k5i n GLY 107 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2k5i n ILE 108 N 0.00 1.76 -0.10 -0.61 -0.00 -0.88 -4.50 119.36 115.03 2k5i n ILE 108 Ca 0.00 -1.70 -0.17 0.00 -0.00 0.00 0.00 62.75 60.89 2k5i n ILE 108 Cb 0.00 -2.23 -0.06 0.00 -0.00 0.00 0.00 39.64 37.36 2k5i n ILE 108 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 176.55 174.71 2k5i n GLU 109 N 7.70 0.50 -3.65 6.28 0.28 -1.26 -3.99 120.64 126.51 2k5i n GLU 109 Ca 0.47 0.21 -0.02 0.00 -0.16 0.00 0.00 57.16 57.66 2k5i n GLU 109 Cb 0.44 -1.36 -0.07 0.00 1.43 0.00 0.00 31.44 31.88 2k5i n GLU 109 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2k5i s SER 110 N -6.53 -0.01 -1.30 -1.84 0.15 -1.26 -4.90 113.70 98.01 2k5i s SER 110 Ca -0.30 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.36 2k5i s SER 110 Cb 0.08 0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 2k5i s SER 110 CO 0.41 -0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.46 2k5i n GLY 111 N 1.42 1.17 3.81 9.45 0.00 -0.81 -4.95 105.19 115.28 2k5i n GLY 111 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.00 4.05 -0.31 1.61 -0.14 -1.26 -4.87 119.74 115.82 2k5i s LYS 112 Ca 0.00 0.45 -0.23 0.00 -1.36 0.00 0.00 55.97 54.83 2k5i s LYS 112 Cb 0.00 -3.27 0.00 0.00 -1.68 0.00 0.00 37.83 32.88 2k5i s LYS 112 CO 0.00 0.57 0.78 0.15 -0.76 0.00 0.00 175.35 176.09 2k5i s LYS 113 N -0.72 3.94 -0.35 1.68 3.01 -1.26 -1.99 119.74 124.06 2k5i s LYS 113 Ca 0.25 0.55 -0.13 0.00 -1.01 0.00 0.00 55.97 55.63 2k5i s LYS 113 Cb -0.17 -3.74 -0.01 0.00 -1.01 0.00 0.00 37.83 32.91 2k5i s LYS 113 CO 0.13 -0.69 0.24 -1.50 0.51 0.00 0.00 175.35 174.04 2k5i s ILE 114 N 2.96 5.16 0.12 2.17 1.10 0.75 -3.27 121.20 130.18 2k5i s ILE 114 Ca 0.32 -0.33 -0.30 0.00 -0.51 0.00 0.00 60.65 59.82 2k5i s ILE 114 Cb -0.14 -3.69 -0.06 0.00 0.15 0.00 0.00 42.46 38.72 2k5i s ILE 114 CO 0.13 -0.05 0.98 -1.10 -2.11 0.00 0.00 174.94 172.79 2k5i s GLN 115 N 1.69 4.69 -0.36 3.50 1.11 0.14 -1.36 119.66 129.08 2k5i s GLN 115 Ca 0.06 1.49 -0.03 0.00 0.01 0.00 0.00 55.36 56.89 2k5i s GLN 115 Cb -0.18 -3.36 0.08 0.00 -1.01 0.00 0.00 33.01 28.54 2k5i s GLN 115 CO 0.10 0.21 0.12 0.08 0.01 0.00 0.00 175.29 175.80 2k5i s VAL 116 N -0.07 3.24 -0.69 1.09 1.01 -1.11 -1.23 120.40 122.64 2k5i s VAL 116 Ca 0.47 -1.71 -0.17 0.00 0.00 0.00 0.00 61.98 60.57 2k5i s VAL 116 Cb -0.24 -3.06 0.15 0.00 0.00 0.00 0.00 36.38 33.23 2k5i s VAL 116 CO 0.31 -0.43 0.73 -0.44 0.00 0.00 0.00 175.10 175.27 2k5i s SER 117 N 1.57 6.41 0.37 3.32 0.01 -0.09 -3.85 113.70 121.44 2k5i s SER 117 Ca 0.02 -1.96 0.00 0.00 1.31 0.00 0.00 55.95 55.33 2k5i s SER 117 Cb -0.21 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2k5i s SER 117 CO -0.02 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.34 2k5i n GLY 118 N 4.92 0.84 0.10 3.44 0.00 -1.26 -1.45 105.19 111.79 2k5i n GLY 118 Ca 0.01 0.44 0.01 0.00 0.00 0.00 0.00 46.02 46.48 2k5i n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k5i n ARG 119 N 0.00 1.07 -4.22 1.61 5.12 -1.26 -4.79 116.66 114.19 2k5i n ARG 119 Ca 0.00 -1.17 -0.31 0.00 -1.93 0.00 0.00 57.85 54.44 2k5i n ARG 119 Cb 0.00 -0.79 -0.09 0.00 -1.16 0.00 0.00 32.46 30.43 2k5i n ARG 119 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2k5i s ARG 120 N -0.69 2.61 -0.04 5.56 1.70 -0.53 -5.04 118.95 122.52 2k5i s ARG 120 Ca 0.04 -0.76 0.07 0.00 -0.47 0.00 0.00 55.73 54.61 2k5i s ARG 120 Cb 0.04 -2.57 -0.02 0.00 -0.57 0.00 0.00 34.95 31.83 2k5i s ARG 120 CO 0.00 0.57 -0.24 0.71 -1.08 0.00 0.00 175.30 175.26 2k5i s TYR 121 N -1.20 2.43 -0.03 5.89 2.02 -1.26 -0.91 117.35 124.29 2k5i s TYR 121 Ca 0.23 -0.55 0.01 0.00 -0.37 0.00 0.00 57.07 56.38 2k5i s TYR 121 Cb -0.12 -1.57 0.02 0.00 -0.40 0.00 0.00 41.96 39.89 2k5i s TYR 121 CO 0.14 -0.11 -0.03 0.71 -1.57 0.00 0.00 175.55 174.70 2k5i s TYR 122 N -0.39 0.50 -0.42 2.71 1.51 -0.36 -2.06 117.35 118.84 2k5i s TYR 122 Ca 0.03 -0.09 -0.14 0.00 -1.01 0.00 0.00 57.07 55.86 2k5i s TYR 122 Cb -0.12 -0.46 0.04 0.00 -0.11 0.00 0.00 41.96 41.32 2k5i s TYR 122 CO 0.02 -0.11 0.30 0.42 -1.11 0.00 0.00 175.55 175.06 2k5i s ILE 123 N 0.64 4.98 -1.75 2.71 -1.09 0.51 0.28 121.20 127.47 2k5i s ILE 123 Ca -0.07 -0.89 -0.21 0.00 -2.23 0.00 0.00 60.65 57.24 2k5i s ILE 123 Cb -0.11 -3.86 0.21 0.00 -1.58 0.00 0.00 42.46 37.13 2k5i s ILE 123 CO -0.01 -0.39 0.54 -1.84 -1.23 0.00 0.00 174.94 172.02 2k5i n GLU 124 N 5.11 -0.74 0.00 2.79 0.28 -1.20 -0.43 120.64 126.44 2k5i n GLU 124 Ca -0.11 0.13 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 2k5i n GLU 124 Cb 0.45 -4.37 0.00 0.00 1.43 0.00 0.00 31.44 28.96 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 -1.09 1.88 3.71 -1.84 0.00 -1.26 -5.08 105.19 101.51 2k5i n GLY 125 Ca 0.09 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 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 4.51 0.20 1.61 6.06 0.42 -5.03 118.95 126.73 2k5i s ARG 126 Ca 0.00 1.27 -0.30 0.00 -2.50 0.00 0.00 55.73 54.20 2k5i s ARG 126 Cb 0.00 -3.47 -0.09 0.00 0.06 0.00 0.00 34.95 31.46 2k5i s ARG 126 CO 0.00 -0.05 1.28 -1.83 -2.50 0.00 0.00 175.30 172.20 2k5i s GLU 127 N 1.07 4.41 0.02 5.12 -1.05 -1.26 -0.37 118.70 126.65 2k5i s GLU 127 Ca 0.48 2.02 -0.07 0.00 -0.15 0.00 0.00 54.97 57.25 2k5i s GLU 127 Cb -0.20 -3.20 -0.05 0.00 -0.44 0.00 0.00 34.13 30.24 2k5i s GLU 127 CO 0.24 -0.20 0.28 0.42 0.95 0.00 0.00 175.26 176.95 2k5i s ILE 128 N -0.01 5.28 -2.10 1.83 -1.09 -0.87 -4.91 121.20 119.34 2k5i s ILE 128 Ca 0.55 0.17 0.19 0.00 -2.23 0.00 0.00 60.65 59.33 2k5i s ILE 128 Cb -0.36 -3.58 0.48 0.00 -1.58 0.00 0.00 42.46 37.43 2k5i s ILE 128 CO 0.39 0.34 1.62 -0.67 -1.23 0.00 0.00 174.94 175.39 2k5i n ASP 129 N 1.04 0.61 -4.82 3.58 2.03 -1.26 -4.81 116.55 112.92 2k5i n ASP 129 Ca -0.10 -1.55 -0.30 0.00 0.52 0.00 0.00 54.79 53.36 2k5i n ASP 129 Cb 0.53 -0.04 0.08 0.00 -0.72 0.00 0.00 41.12 40.96 2k5i n ASP 129 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2k5i s LEU 130 N -1.55 2.72 0.00 -2.67 1.43 -1.26 -4.76 118.68 112.59 2k5i s LEU 130 Ca 0.28 1.29 0.00 0.00 -1.03 0.00 0.00 54.13 54.68 2k5i s LEU 130 Cb 0.14 -3.98 0.00 0.00 0.03 0.00 0.00 46.19 42.38 2k5i s LEU 130 CO 0.22 -1.77 0.00 0.61 0.23 0.00 0.00 176.35 175.64 2k5i n GLY 131 N -2.30 0.35 1.38 -3.19 0.00 -1.26 -4.67 105.19 95.50 2k5i n GLY 131 Ca 0.07 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2k5i n GLY 131 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2k5i n TYR 132 N -0.06 -0.48 -0.26 1.61 9.36 -0.88 -4.50 117.16 121.96 2k5i n TYR 132 Ca 0.00 0.08 -0.00 0.00 3.32 0.00 0.00 57.90 61.30 2k5i n TYR 132 Cb 0.00 0.20 0.21 0.00 -0.63 0.00 0.00 39.34 39.12 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 1.15 1.56 2.98 0.00 -1.97 -2.14 103.07 104.64 2k5i h GLY 133 Ca 0.00 -0.44 -0.23 0.00 0.00 0.00 0.00 47.33 46.66 2k5i h GLY 133 CO 0.00 0.43 -0.98 0.83 0.00 0.00 0.00 176.54 176.82 2k5i h GLU 134 N 1.10 0.38 0.00 4.80 5.08 -1.95 -3.33 114.58 120.67 2k5i h GLU 134 Ca 0.30 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2k5i h GLU 134 Cb -0.11 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2k5i h GLU 134 CO -0.06 1.11 0.00 0.00 -1.00 0.00 0.00 179.01 179.06 2k5i h ALA 135 N 0.73 1.00 -0.00 3.43 0.00 -1.63 -1.94 119.26 120.85 2k5i h ALA 135 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2k5i h ALA 135 Cb 1.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2k5i h ALA 135 CO 0.17 0.00 -0.10 -2.37 0.00 0.00 0.00 179.25 176.94 2k5i n THR 136 N -3.07 0.00 0.08 0.00 5.66 -0.91 -1.88 114.28 114.16 2k5i n THR 136 Ca 0.00 -0.02 0.04 0.00 -3.05 0.00 0.00 64.05 61.02 2k5i n THR 136 Cb 0.27 -0.27 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 2k5i n THR 136 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2k5i h LYS 137 N 0.18 0.00 -5.88 1.09 1.57 -1.53 -3.46 116.57 108.55 2k5i h LYS 137 Ca 0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 2k5i h LYS 137 Cb 0.41 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.65 2k5i h LYS 137 CO 0.00 0.22 -0.14 0.42 -0.57 0.00 0.00 179.45 179.38 2k5i s ILE 138 N -3.07 5.08 -0.13 1.86 1.09 -1.23 -1.36 121.20 123.44 2k5i s ILE 138 Ca -0.01 0.96 -0.02 0.00 -1.10 0.00 0.00 60.65 60.49 2k5i s ILE 138 Cb 0.09 -3.80 -0.02 0.00 -1.06 0.00 0.00 42.46 37.66 2k5i s ILE 138 CO 0.79 0.42 -0.08 0.26 -0.10 0.00 0.00 174.94 176.23 2k5i s TRP 139 N -0.07 2.92 0.27 3.97 0.52 -0.57 0.05 118.94 126.04 2k5i s TRP 139 Ca 0.26 -0.41 0.05 0.00 0.02 0.00 0.00 56.10 56.02 2k5i s TRP 139 Cb -0.16 -1.88 -0.06 0.00 -1.15 0.00 0.00 33.47 30.23 2k5i s TRP 139 CO 0.12 -0.07 -0.02 0.14 0.02 0.00 0.00 176.95 177.14 2k5i s VAL 140 N 0.21 1.38 0.01 4.03 -7.23 0.05 -0.71 120.40 118.15 2k5i s VAL 140 Ca -0.05 -2.07 0.05 0.00 -1.81 0.00 0.00 61.98 58.10 2k5i s VAL 140 Cb -0.15 -2.48 -0.02 0.00 0.56 0.00 0.00 36.38 34.30 2k5i s VAL 140 CO 0.04 -0.26 -0.17 -0.13 -0.31 0.00 0.00 175.10 174.28 2k5i s ARG 141 N -3.80 1.22 -0.08 4.82 0.52 0.59 -1.75 118.95 120.47 2k5i s ARG 141 Ca 0.30 -0.70 -0.29 0.00 -0.52 0.00 0.00 55.73 54.51 2k5i s ARG 141 Cb 0.05 -1.23 -0.05 0.00 0.52 0.00 0.00 34.95 34.24 2k5i s ARG 141 CO 0.11 0.32 1.73 0.50 0.02 0.00 0.00 175.30 177.99 2k5i s ARG 142 N -0.76 4.04 0.00 3.54 6.06 -1.26 -0.46 118.95 130.11 2k5i s ARG 142 Ca 0.05 2.15 0.00 0.00 -2.50 0.00 0.00 55.73 55.43 2k5i s ARG 142 Cb -0.07 -4.05 0.00 0.00 0.06 0.00 0.00 34.95 30.89 2k5i s ARG 142 CO 0.00 -1.02 0.00 1.33 -2.50 0.00 0.00 175.30 173.11 2k5i n VAL 143 N 5.80 0.00 0.00 7.11 0.24 -1.04 -4.91 118.33 125.52 2k5i n VAL 143 Ca 0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.49 2k5i n VAL 143 Cb 0.43 -0.65 0.00 0.00 -1.47 0.00 0.00 33.84 32.15 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 -1.59 0.00 0.00 -1.34 2.88 0.16 -4.85 113.62 108.87 2k5i n SER 144 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2k5i n SER 144 Cb 0.34 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 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 1.37 0.00 0.06 -3.46 2.03 -1.26 -2.31 116.55 112.98 2k5i n ASP 145 Ca 0.00 0.00 0.19 0.00 0.52 0.00 0.00 54.79 55.50 2k5i n ASP 145 Cb 0.00 0.00 0.72 0.00 -0.72 0.00 0.00 41.12 41.12 2k5i n ASP 145 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k5i h ALA 146 N -0.41 2.31 0.00 -1.67 0.00 -1.92 -3.46 119.26 114.12 2k5i h ALA 146 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k5i h ALA 146 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2k5i h ALA 146 CO 0.00 -0.56 0.00 0.41 0.00 0.00 0.00 179.25 179.10 2k5i n GLY 147 N -1.58 0.47 3.64 0.00 0.00 -0.98 -5.06 105.19 101.68 2k5i n GLY 147 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.76 3.93 -0.11 1.61 -1.05 -1.26 -5.01 118.70 116.05 2k5i s GLU 148 Ca 0.00 1.52 0.03 0.00 -0.15 0.00 0.00 54.97 56.37 2k5i s GLU 148 Cb 0.00 -3.93 0.01 0.00 -0.44 0.00 0.00 34.13 29.77 2k5i s GLU 148 CO 0.00 -1.11 -0.19 -1.21 0.95 0.00 0.00 175.26 173.70 2k5i s GLU 149 N 4.26 2.59 0.00 -4.83 2.02 -1.26 -4.14 118.70 117.34 2k5i s GLU 149 Ca 0.63 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 54.91 2k5i s GLU 149 Cb -0.22 -2.08 0.00 0.00 0.10 0.00 0.00 34.13 31.94 2k5i s GLU 149 CO 0.25 0.04 0.00 0.43 0.02 0.00 0.00 175.26 175.99 2k5i n SER 150 N 3.90 1.35 -4.65 -0.19 7.64 -1.26 -5.04 113.62 115.37 2k5i n SER 150 Ca -0.20 -0.18 -0.35 0.00 1.01 0.00 0.00 58.87 59.15 2k5i n SER 150 Cb 0.52 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.62 2k5i n SER 150 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2k5i s HIS 151 N 1.02 3.09 0.00 1.43 0.09 -1.26 -5.06 115.29 114.60 2k5i s HIS 151 Ca 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 55.06 55.20 2k5i s HIS 151 Cb 0.00 -1.76 0.00 0.00 -0.00 0.00 0.00 32.58 30.82 2k5i s HIS 151 CO 0.00 0.43 0.00 -2.30 -0.00 0.00 0.00 174.74 172.87 2k5i n PRO 152 N 2.15 2.25 0.00 8.40 -0.02 -1.26 -4.64 135.00 141.88 2k5i n PRO 152 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 2k5i n PRO 152 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 2k5i n PRO 152 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2k5i n GLN 153 N 0.00 0.00 -1.53 -0.52 0.00 -1.26 -4.97 117.38 109.10 2k5i n GLN 153 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 2k5i n GLN 153 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 2k5i n GLN 153 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2k5i n LYS 154 N 0.00 -3.64 -2.63 3.69 5.02 -1.26 -4.69 118.16 114.65 2k5i n LYS 154 Ca 0.00 2.83 -0.42 0.00 -2.02 0.00 0.00 58.31 58.70 2k5i n LYS 154 Cb 0.00 -3.61 -0.03 0.00 -0.02 0.00 0.00 35.03 31.37 2k5i n LYS 154 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k5i s LEU 155 N -5.24 3.52 -0.49 -0.35 1.02 -1.26 -4.99 118.68 110.89 2k5i s LEU 155 Ca 0.00 -0.73 -0.25 0.00 0.02 0.00 0.00 54.13 53.16 2k5i s LEU 155 Cb 0.00 -2.53 0.03 0.00 0.02 0.00 0.00 46.19 43.71 2k5i s LEU 155 CO 0.00 -1.69 0.94 -1.61 0.02 0.00 0.00 176.35 174.00 2k5i s GLU 156 N 5.20 3.48 -0.19 1.70 2.02 -1.26 -4.95 118.70 124.69 2k5i s GLU 156 Ca 0.34 0.06 -0.14 0.00 0.02 0.00 0.00 54.97 55.25 2k5i s GLU 156 Cb -0.09 -3.96 0.06 0.00 0.10 0.00 0.00 34.13 30.24 2k5i s GLU 156 CO 0.10 -1.30 0.49 -3.38 0.02 0.00 0.00 175.26 171.20 2k5i s HIS 157 N 3.84 -0.64 -0.04 1.61 -3.43 -1.26 -5.13 115.29 110.24 2k5i s HIS 157 Ca 0.36 1.43 -0.34 0.00 -0.80 0.00 0.00 55.06 55.71 2k5i s HIS 157 Cb -0.11 0.28 -0.12 0.00 -1.43 0.00 0.00 32.58 31.20 2k5i s HIS 157 CO 0.25 -0.33 1.84 -2.39 -2.00 0.00 0.00 174.74 172.11 2k5i n HIS 158 N 3.53 2.34 -4.27 0.38 1.44 -1.26 -4.98 115.22 112.40 2k5i n HIS 158 Ca -0.18 0.01 -0.15 0.00 -2.01 0.00 0.00 57.72 55.39 2k5i n HIS 158 Cb 0.56 -2.66 -0.10 0.00 0.12 0.00 0.00 29.99 27.92 2k5i n HIS 158 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2k5i s HIS 159 N 3.63 1.34 0.00 -1.40 -3.43 -1.26 -5.06 115.29 109.11 2k5i s HIS 159 Ca 0.90 -0.73 0.00 0.00 -0.80 0.00 0.00 55.06 54.44 2k5i s HIS 159 Cb -0.67 -0.67 0.00 0.00 -1.43 0.00 0.00 32.58 29.81 2k5i s HIS 159 CO 0.49 0.13 0.00 0.72 -2.00 0.00 0.00 174.74 174.08 2k5i n HIS 160 N -0.23 0.00 -0.55 0.38 8.25 -1.26 -2.08 115.22 119.73 2k5i n HIS 160 Ca -0.10 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.25 2k5i n HIS 160 Cb 0.61 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.81 2k5i n HIS 160 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k5i n HIS 161 N 0.00 -3.17 0.30 4.41 -0.00 -1.26 -4.24 115.22 111.25 2k5i n HIS 161 Ca 0.00 -0.36 0.04 0.00 -0.00 0.00 0.00 57.72 57.40 2k5i n HIS 161 Cb 0.00 -0.44 0.03 0.00 -0.00 0.00 0.00 29.99 29.58 2k5i n HIS 161 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95