#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 2.48 0.00 2.12 3.01 -1.26 -0.16 119.74 125.93 2k5i s LYS 2 Ca 0.00 -0.80 0.08 0.00 -1.01 0.00 0.00 55.97 54.24 2k5i s LYS 2 Cb 0.00 -2.48 0.35 0.00 -1.01 0.00 0.00 37.83 34.70 2k5i s LYS 2 CO 0.00 0.57 1.26 1.47 0.51 0.00 0.00 175.35 179.16 2k5i n LEU 3 N 1.21 0.00 0.00 3.17 -0.00 -1.24 -2.28 117.00 117.86 2k5i n LEU 3 Ca -0.14 0.49 0.05 0.00 -0.00 0.00 0.00 56.01 56.42 2k5i n LEU 3 Cb 0.52 -0.49 0.24 0.00 -0.00 0.00 0.00 43.42 43.69 2k5i n LEU 3 CO 0.33 -0.36 0.67 -1.54 -0.00 0.00 0.00 177.39 176.49 2k5i n SER 4 N -1.49 0.00 -0.16 1.45 3.41 -1.26 -2.88 113.62 112.68 2k5i n SER 4 Ca 0.02 0.47 0.01 0.00 -0.26 0.00 0.00 58.87 59.10 2k5i n SER 4 Cb 0.10 -0.48 0.01 0.00 -0.26 0.00 0.00 64.21 63.58 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 -1.48 0.46 -2.62 4.33 1.85 -0.97 -5.03 116.66 113.20 2k5i n ARG 5 Ca 0.03 -0.94 -0.42 0.00 -1.00 0.00 0.00 57.85 55.52 2k5i n ARG 5 Cb 0.13 -0.64 -0.03 0.00 -1.05 0.00 0.00 32.46 30.87 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 -0.34 4.40 -0.00 2.89 2.96 -1.14 -4.97 118.68 122.47 2k5i s LEU 6 Ca 0.02 1.81 -0.31 0.00 -0.22 0.00 0.00 54.13 55.44 2k5i s LEU 6 Cb 0.02 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 43.04 2k5i s LEU 6 CO 0.00 -0.29 1.97 0.52 -1.32 0.00 0.00 176.35 177.23 2k5i n VAL 7 N 3.64 0.71 -1.49 1.68 0.31 -1.26 -4.83 118.33 117.08 2k5i n VAL 7 Ca 0.06 -0.15 -0.52 0.00 -0.01 0.00 0.00 64.34 63.73 2k5i n VAL 7 Cb 0.49 -2.23 -0.07 0.00 -0.91 0.00 0.00 33.84 31.12 2k5i n VAL 7 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2k5i n PRO 8 N 7.41 1.14 0.00 5.55 -0.02 -1.26 -1.02 135.00 146.80 2k5i n PRO 8 Ca 0.21 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 2k5i n PRO 8 Cb 0.38 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 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 6.11 1.55 3.66 -1.23 0.00 0.93 -4.95 105.19 111.26 2k5i n GLY 9 Ca 0.38 0.00 -0.41 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 -1.68 4.91 0.18 1.61 1.01 -0.19 -4.91 120.40 121.34 2k5i s VAL 10 Ca 0.00 1.49 -0.30 0.00 0.00 0.00 0.00 61.98 63.17 2k5i s VAL 10 Cb 0.00 -4.08 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 2k5i s VAL 10 CO 0.00 0.03 0.96 -2.16 0.00 0.00 0.00 175.10 173.93 2k5i s PRO 11 N 2.21 4.77 0.01 2.72 0.04 -1.26 -4.13 135.00 139.36 2k5i s PRO 11 Ca 0.35 1.49 0.03 0.00 0.04 0.00 0.00 61.00 62.90 2k5i s PRO 11 Cb -0.16 -3.32 -0.01 0.00 0.04 0.00 0.00 34.50 31.05 2k5i s PRO 11 CO 0.11 0.36 -0.08 0.00 0.04 0.00 0.00 177.00 177.43 2k5i s ALA 12 N -0.62 0.67 -0.06 8.56 0.00 0.02 -0.96 121.76 129.38 2k5i s ALA 12 Ca 0.44 -0.48 -0.13 0.00 0.00 0.00 0.00 51.96 51.80 2k5i s ALA 12 Cb -0.25 -0.12 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 2k5i s ALA 12 CO 0.31 0.12 0.33 0.50 0.00 0.00 0.00 175.76 177.03 2k5i s ARG 13 N -0.59 3.87 -0.39 0.00 3.52 0.30 0.15 118.95 125.81 2k5i s ARG 13 Ca 0.00 0.24 -0.28 0.00 -0.13 0.00 0.00 55.73 55.56 2k5i s ARG 13 Cb -0.05 -3.25 -0.02 0.00 -1.56 0.00 0.00 34.95 30.07 2k5i s ARG 13 CO 0.00 0.62 1.80 0.42 -0.81 0.00 0.00 175.30 177.33 2k5i s ILE 14 N -0.76 3.47 -0.02 4.11 -1.09 0.57 -0.69 121.20 126.79 2k5i s ILE 14 Ca 0.21 0.45 -0.17 0.00 -2.23 0.00 0.00 60.65 58.90 2k5i s ILE 14 Cb -0.15 -3.72 -0.10 0.00 -1.58 0.00 0.00 42.46 36.92 2k5i s ILE 14 CO 0.10 -0.51 0.73 0.11 -1.23 0.00 0.00 174.94 174.13 2k5i h LYS 15 N 13.24 -0.60 -2.89 2.79 1.57 -0.83 -1.37 116.57 128.48 2k5i h LYS 15 Ca -0.32 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.54 2k5i h LYS 15 Cb 1.17 0.14 -0.10 0.00 0.08 0.00 0.00 32.23 33.52 2k5i h LYS 15 CO 1.07 -0.40 0.26 -0.98 -0.57 0.00 0.00 179.45 178.83 2k5i s ARG 16 N -3.59 1.40 -0.29 3.15 1.70 -1.11 -4.72 118.95 115.49 2k5i s ARG 16 Ca -0.09 -0.64 -0.02 0.00 -0.47 0.00 0.00 55.73 54.51 2k5i s ARG 16 Cb 0.01 0.56 0.04 0.00 -0.57 0.00 0.00 34.95 35.00 2k5i s ARG 16 CO 0.27 -0.63 -0.01 -0.51 -1.08 0.00 0.00 175.30 173.35 2k5i s LEU 17 N -2.80 3.78 -0.03 -1.89 1.02 -1.26 -1.82 118.68 115.68 2k5i s LEU 17 Ca 0.05 -1.18 -0.04 0.00 0.02 0.00 0.00 54.13 52.99 2k5i s LEU 17 Cb -0.03 -1.71 -0.15 0.00 0.02 0.00 0.00 46.19 44.32 2k5i s LEU 17 CO -0.05 -0.24 3.01 -0.62 0.02 0.00 0.00 176.35 178.47 2k5i n GLU 18 N 4.65 1.70 -3.59 1.70 1.02 0.65 -4.79 120.64 121.98 2k5i n GLU 18 Ca -0.14 -0.77 -0.16 0.00 -0.02 0.00 0.00 57.16 56.07 2k5i n GLU 18 Cb 0.44 -1.67 -0.07 0.00 -0.02 0.00 0.00 31.44 30.12 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 0.40 0.01 -0.08 2.62 0.11 -1.26 -4.90 120.40 117.29 2k5i s VAL 19 Ca 0.44 -0.05 -0.07 0.00 -2.93 0.00 0.00 61.98 59.37 2k5i s VAL 19 Cb 0.22 -0.93 0.02 0.00 -1.53 0.00 0.00 36.38 34.16 2k5i s VAL 19 CO -0.01 -0.03 0.21 -0.94 -3.33 0.00 0.00 175.10 171.00 2k5i s SER 20 N -0.69 -0.22 0.00 3.54 1.04 -1.26 -4.71 113.70 111.39 2k5i s SER 20 Ca -0.08 0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.78 2k5i s SER 20 Cb -0.02 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.52 2k5i s SER 20 CO 0.06 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.81 2k5i n GLY 21 N 3.05 -0.35 5.03 7.32 0.00 -1.26 -4.81 105.19 114.18 2k5i n GLY 21 Ca -0.13 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.72 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 1.72 0.00 0.00 1.61 1.02 -1.26 -3.65 120.64 120.08 2k5i n GLU 22 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 2k5i n GLU 22 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.49 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 0.61 -0.57 -4.62 5.85 -1.98 -3.10 115.31 111.50 2k5i h LEU 23 Ca 0.00 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.44 2k5i h LEU 23 Cb 0.00 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 2k5i h LEU 23 CO 0.00 1.01 0.34 -0.74 -0.34 0.00 0.00 178.44 178.71 2k5i h HIS 24 N 0.43 0.64 -0.17 1.25 2.76 -1.84 -0.23 115.15 117.99 2k5i h HIS 24 Ca 0.02 0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.10 2k5i h HIS 24 Cb 1.04 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.78 2k5i h HIS 24 CO 0.04 0.36 -0.35 1.05 -1.30 0.00 0.00 177.93 177.73 2k5i h GLU 25 N 0.68 0.37 -0.46 5.26 4.11 -1.87 -1.52 114.58 121.14 2k5i h GLU 25 Ca 0.23 -0.16 0.00 0.00 0.07 0.00 0.00 59.36 59.50 2k5i h GLU 25 Cb 0.03 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2k5i h GLU 25 CO -0.10 0.68 0.30 -0.22 0.07 0.00 0.00 179.01 179.73 2k5i h LYS 26 N 0.31 0.60 0.51 1.06 3.64 -1.30 0.60 116.57 122.00 2k5i h LYS 26 Ca 0.04 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2k5i h LYS 26 Cb 0.77 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 32.46 2k5i h LYS 26 CO 0.06 0.41 -0.25 -0.07 -2.27 0.00 0.00 179.45 177.33 2k5i h LEU 27 N 0.62 -0.58 -1.65 5.20 3.38 -0.71 -1.62 115.31 119.94 2k5i h LEU 27 Ca 0.17 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2k5i h LEU 27 Cb -0.06 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2k5i h LEU 27 CO -0.04 -0.34 -0.14 -0.37 0.09 0.00 0.00 178.44 177.64 2k5i h VAL 28 N -0.79 1.12 -0.36 1.22 -1.51 -1.31 0.87 116.25 115.48 2k5i h VAL 28 Ca -0.07 -0.56 -0.04 0.00 -1.23 0.00 0.00 66.70 64.80 2k5i h VAL 28 Cb 0.57 1.26 -0.02 0.00 -2.13 0.00 0.00 31.29 30.98 2k5i h VAL 28 CO 0.12 0.16 0.06 1.23 -1.23 0.00 0.00 177.57 177.91 2k5i h GLY 29 N 0.50 0.57 1.44 5.19 0.00 -0.65 -2.63 103.07 107.49 2k5i h GLY 29 Ca 0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 2k5i h GLY 29 CO 0.02 0.29 -0.60 -0.33 0.00 0.00 0.00 176.54 175.92 2k5i h MET 30 N 0.52 0.00 0.00 4.80 2.86 -0.26 -3.48 114.93 119.37 2k5i h MET 30 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2k5i h MET 30 Cb 0.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.91 2k5i h MET 30 CO 0.00 0.04 0.00 0.41 1.06 0.00 0.00 176.91 178.42 2k5i n GLY 31 N 1.16 0.91 3.56 8.32 0.00 0.03 -4.96 105.19 114.20 2k5i n GLY 31 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.79 1.41 0.01 1.61 0.40 0.08 -4.88 117.98 115.84 2k5i s PHE 32 Ca 0.00 1.29 0.04 0.00 -0.60 0.00 0.00 56.93 57.65 2k5i s PHE 32 Cb 0.00 -3.76 -0.01 0.00 0.51 0.00 0.00 43.02 39.75 2k5i s PHE 32 CO 0.00 -1.96 -0.11 0.14 0.70 0.00 0.00 175.22 173.99 2k5i s VAL 33 N 11.83 0.88 -0.25 -0.44 -7.23 -1.26 -3.64 120.40 120.29 2k5i s VAL 33 Ca 0.82 -0.69 -0.33 0.00 -1.81 0.00 0.00 61.98 59.96 2k5i s VAL 33 Cb -0.12 -0.78 -0.10 0.00 0.56 0.00 0.00 36.38 35.94 2k5i s VAL 33 CO 0.12 0.09 2.10 -2.65 -0.31 0.00 0.00 175.10 174.45 2k5i n PRO 34 N 2.37 1.57 0.00 4.82 -0.02 -1.26 -1.66 135.00 140.82 2k5i n PRO 34 Ca -0.16 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 2k5i n PRO 34 Cb 0.56 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 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 5.73 0.98 3.75 -1.23 0.00 -0.51 -5.01 105.19 108.88 2k5i n GLY 35 Ca 0.33 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.97 2k5i n GLY 35 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k5i n GLU 36 N 0.00 1.69 -3.52 1.61 -0.58 -0.67 -4.60 120.64 114.57 2k5i n GLU 36 Ca 0.00 0.62 -0.42 0.00 -0.42 0.00 0.00 57.16 56.94 2k5i n GLU 36 Cb 0.00 -2.59 -0.10 0.00 -0.57 0.00 0.00 31.44 28.18 2k5i n GLU 36 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2k5i s GLU 37 N -2.92 2.87 -0.18 3.49 2.02 -1.26 -0.32 118.70 122.40 2k5i s GLU 37 Ca 0.72 -1.16 -0.05 0.00 0.02 0.00 0.00 54.97 54.50 2k5i s GLU 37 Cb -0.41 -3.89 -0.03 0.00 0.10 0.00 0.00 34.13 29.90 2k5i s GLU 37 CO 0.49 -0.81 0.01 -1.50 0.02 0.00 0.00 175.26 173.46 2k5i s ILE 38 N 1.59 4.21 -0.10 -1.63 2.07 0.12 -4.72 121.20 122.76 2k5i s ILE 38 Ca 0.03 -0.24 0.04 0.00 -1.41 0.00 0.00 60.65 59.08 2k5i s ILE 38 Cb -0.21 -2.88 0.00 0.00 0.13 0.00 0.00 42.46 39.51 2k5i s ILE 38 CO 0.07 0.47 -0.23 -1.83 -1.91 0.00 0.00 174.94 171.51 2k5i s GLU 39 N 0.52 2.88 0.05 3.50 -1.05 -1.18 -0.80 118.70 122.63 2k5i s GLU 39 Ca -0.01 -0.83 -0.31 0.00 -0.15 0.00 0.00 54.97 53.68 2k5i s GLU 39 Cb -0.14 -2.19 -0.05 0.00 -0.44 0.00 0.00 34.13 31.31 2k5i s GLU 39 CO 0.02 0.16 1.20 0.42 0.95 0.00 0.00 175.26 178.01 2k5i s ILE 40 N 0.37 4.06 -0.19 1.83 -1.09 -1.26 -0.69 121.20 124.23 2k5i s ILE 40 Ca -0.18 1.47 -0.15 0.00 -2.23 0.00 0.00 60.65 59.56 2k5i s ILE 40 Cb -0.18 -3.94 -0.10 0.00 -1.58 0.00 0.00 42.46 36.66 2k5i s ILE 40 CO 0.08 0.10 -0.12 0.52 -1.23 0.00 0.00 174.94 174.30 2k5i n VAL 41 N 4.00 1.48 -3.61 2.92 0.31 0.19 -0.05 118.33 123.56 2k5i n VAL 41 Ca 0.09 0.04 -0.14 0.00 -0.01 0.00 0.00 64.34 64.32 2k5i n VAL 41 Cb 0.46 -2.21 -0.06 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 -2.43 0.96 0.02 5.55 1.03 -1.11 -4.68 119.66 119.00 2k5i s GLN 42 Ca -0.25 -0.19 0.09 0.00 0.04 0.00 0.00 55.36 55.05 2k5i s GLN 42 Cb 0.05 0.44 -0.03 0.00 0.03 0.00 0.00 33.01 33.51 2k5i s GLN 42 CO 0.41 -0.33 -0.26 0.08 -2.54 0.00 0.00 175.29 172.65 2k5i s VAL 43 N -2.12 2.07 0.16 3.63 1.01 -1.26 -1.30 120.40 122.59 2k5i s VAL 43 Ca -0.07 -1.28 -0.31 0.00 0.00 0.00 0.00 61.98 60.32 2k5i s VAL 43 Cb -0.01 -1.75 -0.11 0.00 0.00 0.00 0.00 36.38 34.51 2k5i s VAL 43 CO 0.01 0.43 1.77 0.00 0.00 0.00 0.00 175.10 177.30 2k5i s ALA 44 N -0.73 3.83 0.63 5.51 0.00 -1.10 -4.87 121.76 125.03 2k5i s ALA 44 Ca 0.11 1.49 0.33 0.00 0.00 0.00 0.00 51.96 53.89 2k5i s ALA 44 Cb -0.10 -3.73 1.82 0.00 0.00 0.00 0.00 23.12 21.11 2k5i s ALA 44 CO 0.01 -1.08 2.09 -1.00 0.00 0.00 0.00 175.76 175.78 2k5i h PRO 45 N 7.78 0.00 0.00 0.00 0.13 -1.93 0.13 132.00 138.10 2k5i h PRO 45 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2k5i h PRO 45 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2k5i h PRO 45 CO 0.95 0.00 -0.26 1.28 -0.23 0.00 0.00 178.00 179.73 2k5i n LEU 46 N -3.32 0.57 0.00 1.56 4.32 -1.26 -4.97 117.00 113.90 2k5i n LEU 46 Ca -0.00 0.37 0.00 0.00 -0.02 0.00 0.00 56.01 56.36 2k5i n LEU 46 Cb 0.31 -0.30 0.00 0.00 -1.62 0.00 0.00 43.42 41.81 2k5i n LEU 46 CO 0.21 -0.06 0.00 0.61 -1.22 0.00 0.00 177.39 176.93 2k5i n GLY 47 N 1.38 2.94 3.77 -0.72 0.00 0.44 -5.11 105.19 107.89 2k5i n GLY 47 Ca 0.05 -0.44 -0.08 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.23 0.92 1.61 -4.77 -1.25 -4.55 116.67 108.39 2k5i s ASP 48 Ca 0.00 -0.66 -0.12 0.00 -3.30 0.00 0.00 52.55 48.47 2k5i s ASP 48 Cb 0.00 0.69 0.14 0.00 -1.09 0.00 0.00 42.92 42.66 2k5i s ASP 48 CO 0.00 -1.28 1.10 -2.16 0.70 0.00 0.00 175.17 173.53 2k5i s PRO 49 N -3.94 1.09 -0.08 2.11 0.04 -1.26 -4.81 135.00 128.15 2k5i s PRO 49 Ca 0.13 0.66 -0.00 0.00 0.04 0.00 0.00 61.00 61.83 2k5i s PRO 49 Cb -0.04 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 2k5i s PRO 49 CO 0.07 -2.31 -0.05 0.96 0.04 0.00 0.00 177.00 175.71 2k5i s ILE 50 N -3.00 3.90 -0.31 0.56 -0.00 -0.03 -2.70 121.20 119.62 2k5i s ILE 50 Ca 0.64 -0.40 -0.12 0.00 -0.00 0.00 0.00 60.65 60.77 2k5i s ILE 50 Cb -0.17 -2.62 -0.03 0.00 -0.00 0.00 0.00 42.46 39.64 2k5i s ILE 50 CO 0.56 0.59 0.21 -0.69 -0.00 0.00 0.00 174.94 175.61 2k5i s VAL 51 N -0.74 5.24 0.44 8.37 1.01 -0.42 -1.20 120.40 133.09 2k5i s VAL 51 Ca 0.11 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.11 2k5i s VAL 51 Cb -0.11 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 2k5i s VAL 51 CO 0.02 0.14 0.02 0.00 0.00 0.00 0.00 175.10 175.27 2k5i s LYS 53 N -3.79 3.09 -0.10 0.00 1.02 0.13 -0.43 119.74 119.67 2k5i s LYS 53 Ca 0.24 -0.80 0.01 0.00 0.02 0.00 0.00 55.97 55.44 2k5i s LYS 53 Cb 0.06 -2.87 0.02 0.00 -0.52 0.00 0.00 37.83 34.52 2k5i s LYS 53 CO 0.12 -0.26 -0.10 0.42 -0.92 0.00 0.00 175.35 174.60 2k5i s ILE 54 N 1.38 1.13 -1.38 2.17 1.01 0.02 -3.09 121.20 122.43 2k5i s ILE 54 Ca 0.04 -0.40 -0.08 0.00 0.00 0.00 0.00 60.65 60.21 2k5i s ILE 54 Cb -0.15 -1.09 0.03 0.00 0.01 0.00 0.00 42.46 41.27 2k5i s ILE 54 CO -0.06 0.37 1.03 0.61 0.00 0.00 0.00 174.94 176.89 2k5i n GLY 55 N 4.49 -0.47 4.19 6.18 0.00 -1.26 -2.25 105.19 116.07 2k5i n GLY 55 Ca -0.17 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.99 0.00 -4.85 1.61 2.85 -1.26 -4.97 115.26 105.65 2k5i n ASN 56 Ca -0.07 0.00 -0.33 0.00 -0.11 0.00 0.00 54.58 54.06 2k5i n ASN 56 Cb 0.58 -0.01 -0.06 0.00 1.24 0.00 0.00 39.78 41.54 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 3.96 -0.19 1.20 1.70 -0.96 -4.99 118.95 119.68 2k5i s ARG 57 Ca 0.00 0.52 -0.25 0.00 -0.47 0.00 0.00 55.73 55.54 2k5i s ARG 57 Cb 0.00 -2.67 -0.01 0.00 -0.57 0.00 0.00 34.95 31.69 2k5i s ARG 57 CO 0.00 0.31 0.81 -0.80 -1.08 0.00 0.00 175.30 174.55 2k5i s ASN 58 N -2.10 6.90 -0.15 -2.89 -0.87 -1.26 -0.80 114.94 113.78 2k5i s ASN 58 Ca 0.47 1.10 -0.02 0.00 -1.57 0.00 0.00 52.86 52.84 2k5i s ASN 58 Cb -0.12 -2.44 -0.02 0.00 -0.02 0.00 0.00 41.25 38.64 2k5i s ASN 58 CO 0.19 -0.42 -0.07 -0.63 -2.57 0.00 0.00 177.10 173.60 2k5i s ILE 59 N 2.32 3.54 -0.40 0.60 -1.09 0.43 -4.93 121.20 121.67 2k5i s ILE 59 Ca 0.36 -0.48 -0.23 0.00 -2.23 0.00 0.00 60.65 58.07 2k5i s ILE 59 Cb -0.16 -2.53 0.02 0.00 -1.58 0.00 0.00 42.46 38.20 2k5i s ILE 59 CO 0.11 0.50 0.80 -0.89 -1.23 0.00 0.00 174.94 174.23 2k5i s THR 60 N 0.41 4.67 0.08 2.92 2.01 -1.26 -1.66 115.64 122.82 2k5i s THR 60 Ca -0.06 0.73 0.09 0.00 0.31 0.00 0.00 61.69 62.76 2k5i s THR 60 Cb -0.15 -4.27 -0.03 0.00 0.01 0.00 0.00 72.50 68.05 2k5i s THR 60 CO 0.04 -0.57 -0.24 -0.22 -0.69 0.00 0.00 174.62 172.94 2k5i s LEU 61 N 3.24 2.37 0.06 4.42 1.98 -0.34 -4.96 118.68 125.45 2k5i s LEU 61 Ca 0.32 -0.61 -0.03 0.00 -2.89 0.00 0.00 54.13 50.92 2k5i s LEU 61 Cb -0.12 -1.34 -0.04 0.00 0.66 0.00 0.00 46.19 45.34 2k5i s LEU 61 CO 0.20 0.22 0.26 -0.13 -1.89 0.00 0.00 176.35 175.00 2k5i s ARG 62 N -1.68 3.51 0.23 1.98 1.81 -1.26 -0.85 118.95 122.69 2k5i s ARG 62 Ca 0.14 -0.28 -0.06 0.00 -1.72 0.00 0.00 55.73 53.81 2k5i s ARG 62 Cb -0.10 -3.01 0.37 0.00 -0.45 0.00 0.00 34.95 31.76 2k5i s ARG 62 CO 0.05 0.59 1.79 0.87 -0.68 0.00 0.00 175.30 177.92 2k5i h LYS 63 N 3.27 0.65 -0.87 3.54 1.57 -1.96 0.66 116.57 123.43 2k5i h LYS 63 Ca -0.47 -0.04 0.19 0.00 -1.87 0.00 0.00 60.65 58.47 2k5i h LYS 63 Cb 1.17 -0.15 -0.11 0.00 0.08 0.00 0.00 32.23 33.22 2k5i h LYS 63 CO 0.73 0.43 0.40 0.07 -0.57 0.00 0.00 179.45 180.50 2k5i h ARG 64 N 0.67 0.45 0.17 3.15 0.11 -1.95 0.11 114.38 117.09 2k5i h ARG 64 Ca 0.37 -0.03 -0.30 0.00 0.10 0.00 0.00 59.98 60.12 2k5i h ARG 64 Cb 0.38 -0.10 0.02 0.00 1.11 0.00 0.00 29.97 31.38 2k5i h ARG 64 CO -0.26 0.30 -1.32 0.93 0.10 0.00 0.00 179.97 179.72 2k5i h GLU 65 N 0.46 0.44 -0.18 0.08 5.08 -1.47 -3.32 114.58 115.67 2k5i h GLU 65 Ca 0.52 -0.70 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 2k5i h GLU 65 Cb 0.92 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 2k5i h GLU 65 CO -0.48 1.32 -0.10 0.00 -1.00 0.00 0.00 179.01 178.76 2k5i h ALA 66 N 0.39 1.50 0.00 3.43 0.00 0.63 -1.67 119.26 123.53 2k5i h ALA 66 Ca -0.19 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2k5i h ALA 66 Cb 2.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.71 2k5i h ALA 66 CO 0.24 0.36 0.00 -0.25 0.00 0.00 0.00 179.25 179.59 2k5i n ASP 67 N -4.28 0.00 0.06 0.00 8.00 0.24 -2.23 116.55 118.33 2k5i n ASP 67 Ca -0.00 0.36 0.10 0.00 0.71 0.00 0.00 54.79 55.95 2k5i n ASP 67 Cb 0.26 -0.43 -0.07 0.00 -0.02 0.00 0.00 41.12 40.87 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 -1.43 0.55 -4.45 0.64 4.77 -0.63 -4.26 117.00 112.19 2k5i n LEU 68 Ca 0.05 0.22 -0.43 0.00 -0.03 0.00 0.00 56.01 55.81 2k5i n LEU 68 Cb 0.15 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.13 2k5i n LEU 68 CO 0.12 -0.09 0.10 -0.63 -1.33 0.00 0.00 177.39 175.56 2k5i s ILE 69 N -3.37 5.11 -0.40 -0.08 1.09 -0.95 -0.26 121.20 122.35 2k5i s ILE 69 Ca -0.03 -0.58 -0.25 0.00 -1.10 0.00 0.00 60.65 58.69 2k5i s ILE 69 Cb 0.11 -4.08 0.02 0.00 -1.06 0.00 0.00 42.46 37.45 2k5i s ILE 69 CO 0.83 -0.50 0.90 -0.70 -0.10 0.00 0.00 174.94 175.38 2k5i s GLU 70 N 2.03 3.72 0.40 2.79 2.56 -0.75 -3.65 118.70 125.79 2k5i s GLU 70 Ca 0.10 0.40 0.08 0.00 0.00 0.00 0.00 54.97 55.54 2k5i s GLU 70 Cb -0.19 -3.85 -0.04 0.00 2.00 0.00 0.00 34.13 32.05 2k5i s GLU 70 CO 0.11 -1.03 0.21 0.14 -0.56 0.00 0.00 175.26 174.14 2k5i s VAL 71 N 3.51 2.53 -0.04 3.70 -7.23 0.78 -0.10 120.40 123.55 2k5i s VAL 71 Ca 0.37 -1.63 0.03 0.00 -1.81 0.00 0.00 61.98 58.94 2k5i s VAL 71 Cb -0.11 -2.99 0.01 0.00 0.56 0.00 0.00 36.38 33.84 2k5i s VAL 71 CO 0.21 -0.04 -0.10 -1.83 -0.31 0.00 0.00 175.10 173.03 2k5i s GLU 72 N -3.94 1.18 -0.35 4.82 -1.05 0.13 -4.32 118.70 115.17 2k5i s GLU 72 Ca 0.42 -0.35 -0.28 0.00 -0.15 0.00 0.00 54.97 54.61 2k5i s GLU 72 Cb 0.01 -1.06 -0.03 0.00 -0.44 0.00 0.00 34.13 32.61 2k5i s GLU 72 CO 0.24 0.10 1.96 0.08 0.95 0.00 0.00 175.26 178.59 2k5i s VAL 73 N 0.31 3.31 -0.33 1.83 1.01 -1.26 -0.54 120.40 124.73 2k5i s VAL 73 Ca -0.06 0.30 0.25 0.00 0.00 0.00 0.00 61.98 62.48 2k5i s VAL 73 Cb -0.11 -3.48 0.27 0.00 0.00 0.00 0.00 36.38 33.07 2k5i s VAL 73 CO 0.01 -0.34 1.76 0.58 0.00 0.00 0.00 175.10 177.11 2k5i h VAL 74 N 6.98 0.00 0.00 2.92 2.07 -1.40 -3.05 116.25 123.76 2k5i h VAL 74 Ca -0.34 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2k5i h VAL 74 Cb 1.19 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2k5i h VAL 74 CO 1.05 0.00 0.00 0.61 0.02 0.00 0.00 177.57 179.25 2k5i n GLY 75 N -0.17 -0.76 1.74 2.17 0.00 -1.26 -4.86 105.19 102.05 2k5i n GLY 75 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.27 3.01 3.20 -0.02 0.00 -1.15 -4.97 105.19 104.98 2k5i n GLY 76 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.26 0.76 0.04 1.61 4.04 -1.26 -4.86 118.70 118.76 2k5i s GLU 77 Ca 0.00 -0.73 -0.07 0.00 0.04 0.00 0.00 54.97 54.21 2k5i s GLU 77 Cb 0.00 0.31 -0.01 0.00 0.02 0.00 0.00 34.13 34.46 2k5i s GLU 77 CO 0.00 -0.23 0.12 -0.48 -1.84 0.00 0.00 175.26 172.83 2k5i s LEU 78 N -2.36 1.68 0.55 1.83 2.34 -0.67 -4.94 118.68 117.11 2k5i s LEU 78 Ca -0.02 -0.48 -0.19 0.00 0.06 0.00 0.00 54.13 53.50 2k5i s LEU 78 Cb 0.01 0.70 -0.06 0.00 -0.56 0.00 0.00 46.19 46.28 2k5i s LEU 78 CO -0.06 -0.52 1.11 -2.16 -1.06 0.00 0.00 176.35 173.66 2k5i s PRO 79 N -2.56 3.37 0.19 1.48 0.04 -1.26 -0.49 135.00 135.76 2k5i s PRO 79 Ca -0.05 1.53 -0.15 0.00 0.04 0.00 0.00 61.00 62.37 2k5i s PRO 79 Cb -0.01 -2.02 0.17 0.00 0.04 0.00 0.00 34.50 32.69 2k5i s PRO 79 CO -0.04 -0.82 1.66 -0.07 0.04 0.00 0.00 177.00 177.77 2k5i h LEU 80 N 1.11 -0.39 -2.62 -3.56 3.38 -0.96 -1.57 115.31 110.70 2k5i h LEU 80 Ca -0.49 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 2k5i h LEU 80 Cb 1.25 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 42.29 2k5i h LEU 80 CO 0.57 -0.14 -0.00 -0.29 0.09 0.00 0.00 178.44 178.67 2k5i h ILE 81 N 0.03 0.01 -0.30 1.22 6.09 -1.84 -1.35 117.51 121.37 2k5i h ILE 81 Ca 0.25 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 63.61 2k5i h ILE 81 Cb 0.38 1.13 0.00 0.00 0.47 0.00 0.00 36.82 38.80 2k5i h ILE 81 CO -0.49 0.00 0.00 0.18 -3.07 0.00 0.00 178.15 174.77 2k5i n LEU 82 N -3.09 2.82 -4.73 2.19 4.77 -0.63 -5.04 117.00 113.28 2k5i n LEU 82 Ca -0.02 -1.71 -0.31 0.00 -0.03 0.00 0.00 56.01 53.94 2k5i n LEU 82 Cb 0.13 -0.20 0.12 0.00 -2.33 0.00 0.00 43.42 41.14 2k5i n LEU 82 CO 0.22 0.66 0.69 0.00 -1.33 0.00 0.00 177.39 177.63 2k5i s ALA 83 N -1.03 1.94 0.00 -1.18 0.00 -0.51 -4.69 121.76 116.28 2k5i s ALA 83 Ca 0.24 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.52 2k5i s ALA 83 Cb 0.13 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.94 2k5i s ALA 83 CO 0.18 -2.12 0.11 -3.47 0.00 0.00 0.00 175.76 170.46 2k5i n ASP 84 N -3.77 0.00 -3.65 0.00 2.03 -1.26 -4.82 116.55 105.08 2k5i n ASP 84 Ca 0.10 0.11 0.02 0.00 0.52 0.00 0.00 54.79 55.53 2k5i n ASP 84 Cb 0.53 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.93 2k5i n ASP 84 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2k5i s ASP 85 N -1.37 -0.05 0.00 1.67 2.15 -1.26 -4.94 116.67 112.88 2k5i s ASP 85 Ca 0.00 -0.16 0.00 0.00 0.43 0.00 0.00 52.55 52.82 2k5i s ASP 85 Cb 0.00 0.17 0.00 0.00 -0.30 0.00 0.00 42.92 42.79 2k5i s ASP 85 CO 0.00 -0.32 0.00 0.61 -0.17 0.00 0.00 175.17 175.29 2k5i n GLY 86 N -0.57 -0.70 3.73 2.66 0.00 -1.26 -4.88 105.19 104.17 2k5i n GLY 86 Ca -0.06 -1.43 -0.39 0.00 0.00 0.00 0.00 46.02 44.14 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 5.10 0.33 2.61 2.01 -1.26 -2.96 115.64 121.47 2k5i s THR 87 Ca 0.00 1.17 0.08 0.00 0.31 0.00 0.00 61.69 63.26 2k5i s THR 87 Cb 0.00 -3.91 -0.06 0.00 0.01 0.00 0.00 72.50 68.53 2k5i s THR 87 CO 0.00 0.31 -0.07 -0.31 -0.69 0.00 0.00 174.62 173.86 2k5i s TYR 88 N 0.58 2.27 -0.12 4.92 1.51 0.07 -2.37 117.35 124.20 2k5i s TYR 88 Ca 0.31 -0.59 0.02 0.00 -1.01 0.00 0.00 57.07 55.81 2k5i s TYR 88 Cb -0.16 -1.33 0.01 0.00 -0.11 0.00 0.00 41.96 40.36 2k5i s TYR 88 CO 0.14 0.46 -0.20 -2.00 -1.11 0.00 0.00 175.55 172.85 2k5i s GLU 89 N -3.66 2.74 0.10 -0.62 2.12 0.14 0.23 118.70 119.73 2k5i s GLU 89 Ca 0.32 -0.75 -0.31 0.00 0.36 0.00 0.00 54.97 54.59 2k5i s GLU 89 Cb 0.04 -2.22 -0.08 0.00 0.26 0.00 0.00 34.13 32.13 2k5i s GLU 89 CO 0.15 -0.00 1.46 -1.50 -0.54 0.00 0.00 175.26 174.83 2k5i s ILE 90 N 0.80 3.23 -0.15 -3.70 2.07 -0.70 -0.36 121.20 122.39 2k5i s ILE 90 Ca -0.09 0.82 0.03 0.00 -1.41 0.00 0.00 60.65 60.01 2k5i s ILE 90 Cb -0.16 -3.53 -0.11 0.00 0.13 0.00 0.00 42.46 38.79 2k5i s ILE 90 CO -0.00 0.04 -0.09 1.07 -1.91 0.00 0.00 174.94 174.05 2k5i n THR 91 N 4.19 0.87 -3.52 4.00 5.66 -0.49 -2.73 114.28 122.26 2k5i n THR 91 Ca 0.13 -0.38 -0.11 0.00 -3.05 0.00 0.00 64.05 60.64 2k5i n THR 91 Cb 0.42 -0.96 -0.04 0.00 -1.55 0.00 0.00 70.33 68.20 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 -2.30 0.82 0.35 1.09 -2.85 -1.14 -4.98 119.74 110.73 2k5i s LYS 92 Ca -0.17 -0.08 0.08 0.00 -1.00 0.00 0.00 55.97 54.79 2k5i s LYS 92 Cb 0.05 0.38 -0.03 0.00 -2.06 0.00 0.00 37.83 36.17 2k5i s LYS 92 CO 0.39 -0.31 0.26 -0.51 0.10 0.00 0.00 175.35 175.28 2k5i s LEU 93 N -1.86 3.47 -0.15 2.77 2.01 -1.26 -1.39 118.68 122.28 2k5i s LEU 93 Ca 0.00 -0.61 -0.03 0.00 0.01 0.00 0.00 54.13 53.49 2k5i s LEU 93 Cb -0.01 -2.05 0.05 0.00 0.01 0.00 0.00 46.19 44.20 2k5i s LEU 93 CO -0.03 -0.38 0.06 0.20 1.01 0.00 0.00 176.35 177.20 2k5i s ASN 94 N -3.97 2.26 0.00 2.29 0.01 -0.66 -4.97 114.94 109.91 2k5i s ASN 94 Ca 0.41 -0.52 0.00 0.00 -0.71 0.00 0.00 52.86 52.04 2k5i s ASN 94 Cb -0.04 -0.36 0.00 0.00 0.41 0.00 0.00 41.25 41.25 2k5i s ASN 94 CO 0.26 -0.30 0.00 0.61 -1.51 0.00 0.00 177.10 176.15 2k5i n GLY 95 N 5.19 -0.54 3.41 0.66 0.00 -1.26 -4.86 105.19 107.79 2k5i n GLY 95 Ca -0.07 -0.72 -0.19 0.00 0.00 0.00 0.00 46.02 45.05 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 0.00 2.17 0.31 -0.02 0.00 -1.26 -4.94 105.19 101.45 2k5i n GLY 96 Ca 0.00 -2.23 -0.06 0.00 0.00 0.00 0.00 46.02 43.73 2k5i n GLY 96 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2k5i h ARG 97 N 0.00 1.02 -0.35 1.61 2.43 -2.02 -0.21 114.38 116.87 2k5i h ARG 97 Ca -0.26 -0.25 -0.11 0.00 -0.81 0.00 0.00 59.98 58.55 2k5i h ARG 97 Cb 1.10 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 2k5i h ARG 97 CO 0.38 0.93 -0.23 0.00 -1.51 0.00 0.00 179.97 179.54 2k5i h ARG 98 N 0.97 0.69 -0.31 0.20 -0.00 -1.98 0.23 114.38 114.18 2k5i h ARG 98 Ca 0.20 -0.27 0.03 0.00 -0.50 0.00 0.00 59.98 59.44 2k5i h ARG 98 Cb 0.39 -0.03 -0.03 0.00 0.00 0.00 0.00 29.97 30.29 2k5i h ARG 98 CO 0.01 0.86 0.10 0.35 0.00 0.00 0.00 179.97 181.29 2k5i h PHE 99 N 0.61 0.19 -0.79 3.04 3.57 -1.81 -1.97 116.94 119.78 2k5i h PHE 99 Ca 0.09 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 2k5i h PHE 99 Cb 0.71 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.38 2k5i h PHE 99 CO 0.03 0.08 0.45 -0.07 -2.23 0.00 0.00 178.31 176.57 2k5i h LEU 100 N 0.24 0.98 -0.53 0.59 3.38 -0.72 -2.92 115.31 116.32 2k5i h LEU 100 Ca 0.14 -0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.12 2k5i h LEU 100 Cb 0.11 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.54 2k5i h LEU 100 CO -0.15 0.78 0.10 0.15 0.09 0.00 0.00 178.44 179.41 2k5i h PHE 101 N 1.09 0.15 -0.24 1.13 3.57 -0.01 0.14 116.94 122.77 2k5i h PHE 101 Ca 0.28 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.87 2k5i h PHE 101 Cb 0.01 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.71 2k5i h PHE 101 CO -0.00 -0.03 -0.08 0.00 -2.23 0.00 0.00 178.31 175.97 2k5i h ARG 102 N 0.23 -0.03 -0.53 1.11 2.47 -1.21 -1.60 114.38 114.83 2k5i h ARG 102 Ca 0.27 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.98 2k5i h ARG 102 Cb 0.38 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.68 2k5i h ARG 102 CO -0.36 -0.02 0.28 0.52 0.56 0.00 0.00 179.97 180.95 2k5i h MET 103 N -0.03 0.74 -0.61 0.04 2.86 -0.98 0.35 114.93 117.31 2k5i h MET 103 Ca 0.12 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 2k5i h MET 103 Cb 0.21 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 2k5i h MET 103 CO -0.27 0.58 0.35 0.87 1.06 0.00 0.00 176.91 179.51 2k5i h LYS 104 N 0.70 0.83 0.00 1.72 1.57 -0.62 -0.14 116.57 120.63 2k5i h LYS 104 Ca 0.18 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 2k5i h LYS 104 Cb 0.06 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2k5i h LYS 104 CO -0.03 0.61 -0.29 -0.91 -0.57 0.00 0.00 179.45 178.26 2k5i h ASN 105 N 0.82 0.00 0.75 0.86 2.35 -0.99 -3.22 115.58 116.15 2k5i h ASN 105 Ca 0.22 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.74 2k5i h ASN 105 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2k5i h ASN 105 CO -0.04 0.29 -1.05 -0.07 -1.65 0.00 0.00 177.43 174.92 2k5i h LEU 106 N 0.00 0.22 0.00 1.61 -0.00 0.23 -3.48 115.31 113.89 2k5i h LEU 106 Ca -0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 57.88 57.66 2k5i h LEU 106 Cb 1.04 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 41.63 2k5i h LEU 106 CO 0.04 1.13 0.00 0.61 -0.00 0.00 0.00 178.44 180.21 2k5i n GLY 107 N 1.27 0.55 3.36 0.83 0.00 -0.19 -4.93 105.19 106.09 2k5i n GLY 107 Ca -0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.92 5.77 0.00 -0.61 -0.00 -0.49 -4.84 121.20 120.10 2k5i s ILE 108 Ca 0.00 -3.07 0.00 0.00 -0.00 0.00 0.00 60.65 57.58 2k5i s ILE 108 Cb 0.00 -4.62 0.00 0.00 -0.00 0.00 0.00 42.46 37.84 2k5i s ILE 108 CO 0.00 -1.22 0.00 -0.62 -0.00 0.00 0.00 174.94 173.10 2k5i n GLU 109 N 3.44 0.00 -3.62 0.37 -0.58 -1.26 -4.26 120.64 114.73 2k5i n GLU 109 Ca 0.23 0.17 -0.12 0.00 -0.42 0.00 0.00 57.16 57.02 2k5i n GLU 109 Cb 0.42 -0.58 -0.07 0.00 -0.57 0.00 0.00 31.44 30.63 2k5i n GLU 109 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2k5i s SER 110 N -2.44 -0.61 0.00 1.62 1.04 -1.26 -4.95 113.70 107.10 2k5i s SER 110 Ca 0.00 1.14 0.00 0.00 0.48 0.00 0.00 55.95 57.57 2k5i s SER 110 Cb 0.00 1.14 0.00 0.00 0.10 0.00 0.00 66.02 67.26 2k5i s SER 110 CO 0.00 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.60 2k5i n GLY 111 N 2.33 1.86 3.74 7.32 0.00 -1.10 -4.97 105.19 114.37 2k5i n GLY 111 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 2k5i n GLY 111 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k5i n LYS 112 N -2.00 2.60 -2.86 1.61 4.76 -1.26 -4.61 118.16 116.40 2k5i n LYS 112 Ca 0.00 0.92 -0.43 0.00 -2.87 0.00 0.00 58.31 55.94 2k5i n LYS 112 Cb 0.00 -2.68 -0.04 0.00 -1.84 0.00 0.00 35.03 30.46 2k5i n LYS 112 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2k5i s LYS 113 N -0.63 3.33 -0.15 1.97 3.01 -1.25 -1.73 119.74 124.30 2k5i s LYS 113 Ca 0.64 -0.27 -0.05 0.00 -1.01 0.00 0.00 55.97 55.28 2k5i s LYS 113 Cb -0.52 -4.04 -0.03 0.00 -1.01 0.00 0.00 37.83 32.23 2k5i s LYS 113 CO 0.50 -1.43 0.01 -1.50 0.51 0.00 0.00 175.35 173.44 2k5i s ILE 114 N 3.81 4.35 0.05 2.17 2.07 0.14 -4.19 121.20 129.60 2k5i s ILE 114 Ca 0.30 -0.20 -0.08 0.00 -1.41 0.00 0.00 60.65 59.25 2k5i s ILE 114 Cb -0.13 -2.91 -0.05 0.00 0.13 0.00 0.00 42.46 39.50 2k5i s ILE 114 CO 0.19 0.51 0.35 -1.10 -1.91 0.00 0.00 174.94 172.98 2k5i s GLN 115 N 0.06 3.68 -0.25 3.50 1.11 0.05 -0.75 119.66 127.06 2k5i s GLN 115 Ca 0.03 0.07 -0.09 0.00 0.01 0.00 0.00 55.36 55.38 2k5i s GLN 115 Cb -0.13 -3.03 -0.04 0.00 -1.01 0.00 0.00 33.01 28.81 2k5i s GLN 115 CO 0.02 0.60 0.11 0.08 0.01 0.00 0.00 175.29 176.10 2k5i s VAL 116 N -1.36 4.72 -0.15 1.09 1.01 -1.15 -0.92 120.40 123.62 2k5i s VAL 116 Ca 0.31 -0.04 -0.04 0.00 0.00 0.00 0.00 61.98 62.21 2k5i s VAL 116 Cb -0.14 -3.21 0.08 0.00 0.00 0.00 0.00 36.38 33.11 2k5i s VAL 116 CO 0.17 0.33 0.26 -0.55 0.00 0.00 0.00 175.10 175.31 2k5i s SER 117 N 1.48 0.59 1.47 3.32 0.15 -1.09 -4.53 113.70 115.09 2k5i s SER 117 Ca 0.06 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.09 2k5i s SER 117 Cb -0.15 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 2k5i s SER 117 CO 0.06 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2k5i n GLY 118 N 5.34 2.98 0.75 9.45 0.00 -1.26 -1.52 105.19 120.94 2k5i n GLY 118 Ca -0.06 0.29 0.04 0.00 0.00 0.00 0.00 46.02 46.30 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 9.09 1.95 -3.81 1.61 5.12 -1.26 -4.99 116.66 124.37 2k5i n ARG 119 Ca 0.00 -2.98 -0.12 0.00 -1.93 0.00 0.00 57.85 52.81 2k5i n ARG 119 Cb 0.00 -1.72 -0.11 0.00 -1.16 0.00 0.00 32.46 29.47 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 -3.06 0.36 0.05 5.56 3.03 -0.58 -3.92 118.95 120.40 2k5i s ARG 120 Ca 0.40 0.06 0.04 0.00 2.03 0.00 0.00 55.73 58.27 2k5i s ARG 120 Cb 0.36 0.16 -0.04 0.00 -1.03 0.00 0.00 34.95 34.40 2k5i s ARG 120 CO 0.02 -0.07 -0.05 0.71 -1.13 0.00 0.00 175.30 174.78 2k5i s TYR 121 N -0.44 2.90 -0.22 5.89 2.02 -1.25 -2.66 117.35 123.58 2k5i s TYR 121 Ca -0.05 -0.05 -0.03 0.00 -0.37 0.00 0.00 57.07 56.56 2k5i s TYR 121 Cb -0.04 -1.55 -0.00 0.00 -0.40 0.00 0.00 41.96 39.97 2k5i s TYR 121 CO 0.01 0.42 -0.06 0.71 -1.57 0.00 0.00 175.55 175.07 2k5i s TYR 122 N -1.15 2.95 -0.56 2.71 1.51 -0.10 -0.01 117.35 122.69 2k5i s TYR 122 Ca 0.21 -1.04 -0.15 0.00 -1.01 0.00 0.00 57.07 55.07 2k5i s TYR 122 Cb -0.11 -2.09 0.14 0.00 -0.11 0.00 0.00 41.96 39.79 2k5i s TYR 122 CO 0.12 -0.59 0.52 0.42 -1.11 0.00 0.00 175.55 174.91 2k5i s ILE 123 N 1.45 5.19 -1.48 2.71 -1.09 0.48 -0.77 121.20 127.68 2k5i s ILE 123 Ca 0.05 -1.61 -0.02 0.00 -2.23 0.00 0.00 60.65 56.84 2k5i s ILE 123 Cb -0.14 -4.32 0.01 0.00 -1.58 0.00 0.00 42.46 36.43 2k5i s ILE 123 CO -0.04 -0.88 0.22 -0.62 -1.23 0.00 0.00 174.94 172.39 2k5i n GLU 124 N 5.11 -2.90 0.00 2.79 1.02 -1.26 -0.85 120.64 124.55 2k5i n GLU 124 Ca -0.11 0.82 0.00 0.00 -0.02 0.00 0.00 57.16 57.84 2k5i n GLU 124 Cb 0.41 -5.52 0.00 0.00 -0.02 0.00 0.00 31.44 26.30 2k5i n GLU 124 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k5i n GLY 125 N -1.12 0.35 3.43 0.62 0.00 -1.26 -5.07 105.19 102.14 2k5i n GLY 125 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.00 3.32 0.21 1.61 3.52 -0.03 -5.08 118.95 121.50 2k5i s ARG 126 Ca 0.00 -0.73 -0.30 0.00 -0.13 0.00 0.00 55.73 54.57 2k5i s ARG 126 Cb 0.00 -3.55 -0.09 0.00 -1.56 0.00 0.00 34.95 29.75 2k5i s ARG 126 CO 0.00 -0.42 1.23 -1.21 -0.81 0.00 0.00 175.30 174.10 2k5i s GLU 127 N 1.60 4.46 -0.10 5.12 2.02 -1.26 -0.39 118.70 130.16 2k5i s GLU 127 Ca 0.04 1.96 -0.04 0.00 0.02 0.00 0.00 54.97 56.95 2k5i s GLU 127 Cb -0.17 -3.21 -0.04 0.00 0.10 0.00 0.00 34.13 30.82 2k5i s GLU 127 CO 0.06 -0.12 0.07 0.42 0.02 0.00 0.00 175.26 175.71 2k5i s ILE 128 N -0.20 4.91 -1.23 -1.63 -1.09 0.98 -4.94 121.20 118.01 2k5i s ILE 128 Ca 0.53 -0.04 -0.14 0.00 -2.23 0.00 0.00 60.65 58.77 2k5i s ILE 128 Cb -0.34 -3.12 -0.06 0.00 -1.58 0.00 0.00 42.46 37.36 2k5i s ILE 128 CO 0.39 0.59 2.30 0.47 -1.23 0.00 0.00 174.94 177.46 2k5i n ASP 129 N 1.99 4.82 -3.83 3.58 9.92 -1.26 -3.88 116.55 127.90 2k5i n ASP 129 Ca -0.19 -2.64 -0.28 0.00 -0.53 0.00 0.00 54.79 51.15 2k5i n ASP 129 Cb 0.54 -1.40 -0.16 0.00 -0.64 0.00 0.00 41.12 39.46 2k5i n ASP 129 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2k5i s LEU 130 N 1.10 1.50 -0.17 0.64 1.43 -1.26 -4.97 118.68 116.94 2k5i s LEU 130 Ca 0.53 -0.74 -0.04 0.00 -1.03 0.00 0.00 54.13 52.86 2k5i s LEU 130 Cb 0.14 -0.79 -0.09 0.00 0.03 0.00 0.00 46.19 45.48 2k5i s LEU 130 CO -0.02 -0.24 -0.18 0.61 0.23 0.00 0.00 176.35 176.75 2k5i n GLY 131 N 4.93 -0.25 1.39 -3.19 0.00 -1.25 -3.99 105.19 102.83 2k5i n GLY 131 Ca -0.10 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.37 -1.67 -0.12 1.61 9.36 -1.26 -4.87 117.16 116.83 2k5i n TYR 132 Ca -0.32 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 60.86 2k5i n TYR 132 Cb 0.78 0.35 0.03 0.00 -0.63 0.00 0.00 39.34 39.87 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 0.46 1.85 2.98 0.00 -2.01 -1.75 103.07 104.60 2k5i h GLY 133 Ca 0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 47.33 47.12 2k5i h GLY 133 CO 0.00 -0.05 -0.91 0.83 0.00 0.00 0.00 176.54 176.41 2k5i h GLU 134 N 0.19 0.13 -0.04 4.80 4.39 -1.95 -3.32 114.58 118.78 2k5i h GLU 134 Ca 0.19 -0.16 0.01 0.00 0.34 0.00 0.00 59.36 59.75 2k5i h GLU 134 Cb 0.24 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2k5i h GLU 134 CO -0.27 0.95 0.03 0.00 -1.16 0.00 0.00 179.01 178.56 2k5i h ALA 135 N 1.00 1.90 0.00 3.43 0.00 -1.67 0.54 119.26 124.46 2k5i h ALA 135 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k5i h ALA 135 Cb 1.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2k5i h ALA 135 CO 0.13 -0.05 0.00 -2.37 0.00 0.00 0.00 179.25 176.96 2k5i n THR 136 N -4.33 0.49 0.52 0.00 5.66 -1.04 -3.02 114.28 112.56 2k5i n THR 136 Ca -0.02 0.12 0.12 0.00 -3.05 0.00 0.00 64.05 61.21 2k5i n THR 136 Cb 0.13 -0.75 0.08 0.00 -1.55 0.00 0.00 70.33 68.24 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 -1.52 0.32 -3.55 1.09 5.02 0.18 -4.78 118.16 114.92 2k5i n LYS 137 Ca 0.05 0.04 -0.38 0.00 -2.02 0.00 0.00 58.31 56.00 2k5i n LYS 137 Cb 0.26 -1.65 -0.11 0.00 -0.02 0.00 0.00 35.03 33.51 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 -3.20 5.28 -0.14 -0.18 1.09 -1.17 -1.65 121.20 121.23 2k5i s ILE 138 Ca 0.04 0.25 -0.05 0.00 -1.10 0.00 0.00 60.65 59.79 2k5i s ILE 138 Cb 0.14 -3.56 -0.04 0.00 -1.06 0.00 0.00 42.46 37.94 2k5i s ILE 138 CO 0.77 0.23 0.03 0.26 -0.10 0.00 0.00 174.94 176.13 2k5i s TRP 139 N 1.82 3.22 0.28 3.97 0.52 -0.48 -0.95 118.94 127.31 2k5i s TRP 139 Ca 0.09 0.09 0.02 0.00 0.02 0.00 0.00 56.10 56.32 2k5i s TRP 139 Cb -0.16 -1.95 -0.05 0.00 -1.15 0.00 0.00 33.47 30.16 2k5i s TRP 139 CO 0.11 0.28 0.10 0.14 0.02 0.00 0.00 176.95 177.60 2k5i s VAL 140 N -0.18 0.60 0.05 4.03 -7.23 0.36 -1.40 120.40 116.62 2k5i s VAL 140 Ca 0.06 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.30 2k5i s VAL 140 Cb -0.12 -2.63 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 2k5i s VAL 140 CO 0.02 0.00 -0.20 -0.13 -0.31 0.00 0.00 175.10 174.48 2k5i s ARG 141 N -3.98 1.33 -0.49 4.82 0.52 0.51 -1.66 118.95 120.00 2k5i s ARG 141 Ca 0.37 -0.93 -0.29 0.00 -0.52 0.00 0.00 55.73 54.36 2k5i s ARG 141 Cb 0.07 -1.44 0.02 0.00 0.52 0.00 0.00 34.95 34.12 2k5i s ARG 141 CO 0.14 0.37 1.30 0.50 0.02 0.00 0.00 175.30 177.62 2k5i s ARG 142 N -1.20 3.55 -0.26 3.54 6.06 -1.26 -0.69 118.95 128.70 2k5i s ARG 142 Ca 0.07 0.62 -0.09 0.00 -2.50 0.00 0.00 55.73 53.83 2k5i s ARG 142 Cb -0.09 -4.01 -0.13 0.00 0.06 0.00 0.00 34.95 30.79 2k5i s ARG 142 CO 0.02 -1.61 -0.30 1.33 -2.50 0.00 0.00 175.30 172.24 2k5i n VAL 143 N 6.91 1.42 -2.67 7.11 0.24 -1.10 -4.98 118.33 125.27 2k5i n VAL 143 Ca 0.13 -0.41 -0.07 0.00 -2.04 0.00 0.00 64.34 61.95 2k5i n VAL 143 Cb 0.49 -1.71 0.01 0.00 -1.47 0.00 0.00 33.84 31.15 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 -3.89 -7.16 -0.02 -1.34 2.88 -1.00 -4.93 113.62 98.17 2k5i n SER 144 Ca -0.49 0.46 0.03 0.00 -1.33 0.00 0.00 58.87 57.54 2k5i n SER 144 Cb 0.89 -4.81 0.38 0.00 -0.75 0.00 0.00 64.21 59.92 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 1.71 0.50 0.00 -3.46 5.19 -1.99 -3.47 116.42 114.91 2k5i h ASP 145 Ca 0.00 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 2k5i h ASP 145 Cb 0.87 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.25 2k5i h ASP 145 CO 0.17 0.42 0.00 0.00 -3.12 0.00 0.00 179.24 176.71 2k5i n ALA 146 N -2.47 0.00 0.08 3.45 0.00 -1.26 -4.85 120.51 115.46 2k5i n ALA 146 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.35 2k5i n ALA 146 Cb 0.10 -0.77 -0.13 0.00 0.00 0.00 0.00 19.45 18.65 2k5i n ALA 146 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2k5i h GLY 147 N 0.00 0.17 -0.22 0.00 0.00 -2.04 -3.47 103.07 97.52 2k5i h GLY 147 Ca 0.00 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 2k5i h GLY 147 CO 0.00 0.39 0.02 -1.84 0.00 0.00 0.00 176.54 175.11 2k5i n GLU 148 N -3.44 0.53 -2.35 4.80 0.28 -1.26 -5.10 120.64 114.10 2k5i n GLU 148 Ca -0.06 -0.45 -0.29 0.00 -0.16 0.00 0.00 57.16 56.20 2k5i n GLU 148 Cb 0.99 -0.10 -0.00 0.00 1.43 0.00 0.00 31.44 33.76 2k5i n GLU 148 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2k5i s GLU 149 N -2.80 3.62 0.85 3.44 -1.05 -1.26 -5.09 118.70 116.41 2k5i s GLU 149 Ca 0.11 0.50 -0.13 0.00 -0.15 0.00 0.00 54.97 55.30 2k5i s GLU 149 Cb -0.01 -2.24 0.11 0.00 -0.44 0.00 0.00 34.13 31.55 2k5i s GLU 149 CO 0.07 -0.33 1.21 0.45 0.95 0.00 0.00 175.26 177.61 2k5i s SER 150 N -3.94 4.11 0.04 0.83 0.15 -1.26 -5.05 113.70 108.58 2k5i s SER 150 Ca 0.52 0.60 -0.00 0.00 0.70 0.00 0.00 55.95 57.76 2k5i s SER 150 Cb -0.11 -0.97 -0.03 0.00 -1.71 0.00 0.00 66.02 63.20 2k5i s SER 150 CO 0.46 -2.13 -0.03 -1.00 1.20 0.00 0.00 173.24 171.73 2k5i s HIS 151 N -3.65 0.43 -0.22 3.44 0.09 -1.26 -5.12 115.29 109.00 2k5i s HIS 151 Ca 0.65 -0.82 -0.29 0.00 -0.00 0.00 0.00 55.06 54.60 2k5i s HIS 151 Cb -0.09 -0.31 -0.03 0.00 -0.00 0.00 0.00 32.58 32.15 2k5i s HIS 151 CO 0.50 -0.28 1.59 -1.25 -0.00 0.00 0.00 174.74 175.30 2k5i s PRO 152 N -2.83 3.82 0.36 8.40 0.04 -1.26 -4.97 135.00 138.56 2k5i s PRO 152 Ca -0.03 1.65 -0.28 0.00 0.04 0.00 0.00 61.00 62.38 2k5i s PRO 152 Cb -0.00 -4.02 -0.12 0.00 0.04 0.00 0.00 34.50 30.40 2k5i s PRO 152 CO -0.06 -1.26 1.44 0.94 0.04 0.00 0.00 177.00 178.10 2k5i n GLN 153 N 7.61 2.51 -3.06 4.56 -0.06 -1.26 -4.92 117.38 122.75 2k5i n GLN 153 Ca 0.18 0.88 -0.45 0.00 -2.00 0.00 0.00 57.00 55.62 2k5i n GLN 153 Cb 0.45 -2.58 -0.02 0.00 -4.06 0.00 0.00 30.24 24.03 2k5i n GLN 153 CO 0.00 0.00 0.00 -1.59 -0.20 0.00 0.00 177.06 175.27 2k5i s LYS 154 N -1.84 3.58 -0.13 3.69 -2.85 -1.26 -5.02 119.74 115.91 2k5i s LYS 154 Ca 0.55 -1.97 -0.11 0.00 -1.00 0.00 0.00 55.97 53.44 2k5i s LYS 154 Cb -0.51 -4.73 -0.05 0.00 -2.06 0.00 0.00 37.83 30.48 2k5i s LYS 154 CO 0.62 -1.61 0.23 -0.51 0.10 0.00 0.00 175.35 174.17 2k5i s LEU 155 N 1.86 4.32 -0.01 2.77 1.43 -1.26 -4.89 118.68 122.89 2k5i s LEU 155 Ca 0.27 0.50 0.05 0.00 -1.03 0.00 0.00 54.13 53.93 2k5i s LEU 155 Cb -0.07 -2.25 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 2k5i s LEU 155 CO -0.09 0.25 -0.17 -1.61 0.23 0.00 0.00 176.35 174.96 2k5i s GLU 156 N -0.26 2.30 -0.13 1.70 2.02 -1.26 -5.12 118.70 117.95 2k5i s GLU 156 Ca 0.15 -0.83 -0.04 0.00 0.02 0.00 0.00 54.97 54.27 2k5i s GLU 156 Cb -0.13 -2.27 0.06 0.00 0.10 0.00 0.00 34.13 31.89 2k5i s GLU 156 CO 0.04 0.59 0.21 -1.01 0.02 0.00 0.00 175.26 175.10 2k5i s HIS 157 N -0.80 -0.28 -0.51 1.61 3.76 -1.26 -4.50 115.29 113.32 2k5i s HIS 157 Ca 0.13 0.63 0.06 0.00 -0.15 0.00 0.00 55.06 55.73 2k5i s HIS 157 Cb -0.10 -0.22 0.23 0.00 1.11 0.00 0.00 32.58 33.59 2k5i s HIS 157 CO 0.02 -0.38 0.56 0.72 -0.85 0.00 0.00 174.74 174.81 2k5i n HIS 158 N 5.33 1.22 -3.72 1.40 8.25 -1.26 -5.05 115.22 121.40 2k5i n HIS 158 Ca -0.05 -3.79 -0.35 0.00 -0.26 0.00 0.00 57.72 53.26 2k5i n HIS 158 Cb 0.50 -0.34 -0.05 0.00 1.12 0.00 0.00 29.99 31.21 2k5i n HIS 158 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2k5i s HIS 159 N -1.40 3.59 0.00 4.41 -3.43 -1.26 -4.49 115.29 112.71 2k5i s HIS 159 Ca 0.35 0.64 0.00 0.00 -0.80 0.00 0.00 55.06 55.25 2k5i s HIS 159 Cb 0.11 -2.04 0.00 0.00 -1.43 0.00 0.00 32.58 29.23 2k5i s HIS 159 CO -0.10 0.61 0.00 1.58 -2.00 0.00 0.00 174.74 174.83 2k5i n HIS 160 N 1.21 0.00 -2.42 0.38 -0.00 -1.26 -4.89 115.22 108.25 2k5i n HIS 160 Ca -0.12 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 57.81 2k5i n HIS 160 Cb 0.53 0.00 0.14 0.00 -0.12 0.00 0.00 29.99 30.54 2k5i n HIS 160 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2k5i s HIS 161 N 0.00 1.37 0.00 1.57 3.76 -1.26 -5.08 115.29 115.66 2k5i s HIS 161 Ca 0.00 -0.18 0.00 0.00 -0.15 0.00 0.00 55.06 54.73 2k5i s HIS 161 Cb 0.00 -3.32 0.00 0.00 1.11 0.00 0.00 32.58 30.37 2k5i s HIS 161 CO 0.00 -2.08 0.14 -2.39 -0.85 0.00 0.00 174.74 169.56