#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 3.01 0.00 3.17 3.01 -1.26 -1.37 119.74 126.30 2k5i s LYS 2 Ca 0.00 -0.59 0.09 0.00 -1.01 0.00 0.00 55.97 54.46 2k5i s LYS 2 Cb 0.00 -2.81 0.48 0.00 -1.01 0.00 0.00 37.83 34.49 2k5i s LYS 2 CO 0.00 0.60 1.06 1.47 0.51 0.00 0.00 175.35 178.98 2k5i n LEU 3 N 0.69 0.00 0.08 3.17 -0.00 -1.22 -3.18 117.00 116.54 2k5i n LEU 3 Ca -0.10 0.14 0.06 0.00 -0.00 0.00 0.00 56.01 56.11 2k5i n LEU 3 Cb 0.52 -0.14 0.31 0.00 -0.00 0.00 0.00 43.42 44.11 2k5i n LEU 3 CO 0.43 -0.10 0.68 -0.24 -0.00 0.00 0.00 177.39 178.16 2k5i n SER 4 N -1.14 0.29 -0.01 1.45 2.88 -1.26 -1.38 113.62 114.45 2k5i n SER 4 Ca 0.05 0.62 0.00 0.00 -1.33 0.00 0.00 58.87 58.22 2k5i n SER 4 Cb 0.05 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 2k5i n SER 4 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2k5i n ARG 5 N -1.87 1.93 -1.99 -1.46 1.85 -1.19 -4.81 116.66 109.11 2k5i n ARG 5 Ca -0.00 -1.19 -0.42 0.00 -1.00 0.00 0.00 57.85 55.24 2k5i n ARG 5 Cb 0.04 -0.84 -0.03 0.00 -1.05 0.00 0.00 32.46 30.59 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 -0.70 4.17 0.15 2.89 2.96 -0.48 -4.88 118.68 122.79 2k5i s LEU 6 Ca 0.01 2.08 -0.32 0.00 -0.22 0.00 0.00 54.13 55.68 2k5i s LEU 6 Cb 0.01 -3.53 -0.12 0.00 0.50 0.00 0.00 46.19 43.04 2k5i s LEU 6 CO 0.00 -1.08 1.74 0.52 -1.32 0.00 0.00 176.35 176.21 2k5i n VAL 7 N 5.86 0.15 -1.70 1.68 0.31 -1.26 -4.85 118.33 118.51 2k5i n VAL 7 Ca 0.19 -0.03 -0.56 0.00 -0.01 0.00 0.00 64.34 63.93 2k5i n VAL 7 Cb 0.43 -1.92 -0.07 0.00 -0.91 0.00 0.00 33.84 31.38 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 4.52 1.32 0.00 5.55 -0.02 -1.26 -1.35 135.00 143.76 2k5i n PRO 8 Ca 0.17 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2k5i n PRO 8 Cb 0.34 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 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 4.29 1.09 3.64 -1.23 0.00 0.10 -4.98 105.19 108.11 2k5i n GLY 9 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.15 4.91 -0.20 1.61 1.01 -0.46 -4.91 120.40 120.21 2k5i s VAL 10 Ca 0.00 1.37 -0.29 0.00 0.00 0.00 0.00 61.98 63.06 2k5i s VAL 10 Cb 0.00 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.35 2k5i s VAL 10 CO 0.00 -0.01 1.04 -2.16 0.00 0.00 0.00 175.10 173.97 2k5i s PRO 11 N 2.58 4.30 0.44 2.72 0.04 -1.26 -3.93 135.00 139.89 2k5i s PRO 11 Ca 0.31 1.38 0.04 0.00 0.04 0.00 0.00 61.00 62.78 2k5i s PRO 11 Cb -0.15 -3.62 -0.05 0.00 0.04 0.00 0.00 34.50 30.71 2k5i s PRO 11 CO 0.08 -0.56 0.02 0.00 0.04 0.00 0.00 177.00 176.58 2k5i s ALA 12 N 2.93 3.40 -0.06 8.56 0.00 -0.02 -0.19 121.76 136.38 2k5i s ALA 12 Ca 0.46 -1.51 0.03 0.00 0.00 0.00 0.00 51.96 50.93 2k5i s ALA 12 Cb -0.16 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.18 2k5i s ALA 12 CO 0.09 -0.12 -0.14 0.50 0.00 0.00 0.00 175.76 176.09 2k5i s ARG 13 N -3.79 1.72 -0.09 0.00 3.52 0.56 -0.23 118.95 120.64 2k5i s ARG 13 Ca 0.24 -0.49 -0.29 0.00 -0.13 0.00 0.00 55.73 55.06 2k5i s ARG 13 Cb 0.06 -1.44 -0.05 0.00 -1.56 0.00 0.00 34.95 31.96 2k5i s ARG 13 CO 0.12 0.11 1.70 0.42 -0.81 0.00 0.00 175.30 176.85 2k5i s ILE 14 N 0.40 3.53 -0.13 4.11 -1.09 0.32 -2.19 121.20 126.15 2k5i s ILE 14 Ca -0.10 0.63 -0.13 0.00 -2.23 0.00 0.00 60.65 58.81 2k5i s ILE 14 Cb -0.14 -3.45 -0.04 0.00 -1.58 0.00 0.00 42.46 37.25 2k5i s ILE 14 CO 0.03 -0.10 -0.26 0.29 -1.23 0.00 0.00 174.94 173.67 2k5i n LYS 15 N 7.37 0.39 -3.77 2.79 4.76 -0.63 -1.42 118.16 127.64 2k5i n LYS 15 Ca 0.18 0.15 -0.13 0.00 -2.87 0.00 0.00 58.31 55.65 2k5i n LYS 15 Cb 0.43 -1.18 -0.09 0.00 -1.84 0.00 0.00 35.03 32.36 2k5i n LYS 15 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2k5i s ARG 16 N -2.47 0.65 -0.28 1.97 1.70 -1.11 -4.45 118.95 114.97 2k5i s ARG 16 Ca -0.21 -0.24 -0.02 0.00 -0.47 0.00 0.00 55.73 54.78 2k5i s ARG 16 Cb 0.03 0.29 0.03 0.00 -0.57 0.00 0.00 34.95 34.73 2k5i s ARG 16 CO 0.32 -0.18 -0.02 -0.51 -1.08 0.00 0.00 175.30 173.83 2k5i s LEU 17 N -1.38 3.58 -0.03 -1.89 1.02 -1.26 -1.47 118.68 117.24 2k5i s LEU 17 Ca -0.13 -1.03 0.01 0.00 0.02 0.00 0.00 54.13 52.99 2k5i s LEU 17 Cb -0.05 -1.71 0.05 0.00 0.02 0.00 0.00 46.19 44.50 2k5i s LEU 17 CO 0.03 -0.19 0.88 -1.84 0.02 0.00 0.00 176.35 175.25 2k5i n GLU 18 N 4.67 1.17 -3.82 1.70 0.28 -0.40 -4.77 120.64 119.48 2k5i n GLU 18 Ca -0.15 -0.23 -0.13 0.00 -0.16 0.00 0.00 57.16 56.49 2k5i n GLU 18 Cb 0.45 -1.28 -0.14 0.00 1.43 0.00 0.00 31.44 31.90 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 -0.60 -0.02 0.21 3.84 0.11 -1.26 -5.07 120.40 117.60 2k5i s VAL 19 Ca 0.04 0.08 0.10 0.00 -2.93 0.00 0.00 61.98 59.27 2k5i s VAL 19 Cb 0.03 -0.10 -0.05 0.00 -1.53 0.00 0.00 36.38 34.74 2k5i s VAL 19 CO 0.01 0.03 -0.19 -0.44 -3.33 0.00 0.00 175.10 171.18 2k5i s SER 20 N 0.44 3.06 0.00 3.54 0.01 -1.26 -4.48 113.70 115.01 2k5i s SER 20 Ca -0.03 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.30 2k5i s SER 20 Cb -0.05 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 65.97 2k5i s SER 20 CO -0.02 -0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.24 2k5i n GLY 21 N -0.04 0.03 0.28 3.44 0.00 -1.26 -4.67 105.19 102.97 2k5i n GLY 21 Ca -0.10 -2.00 0.06 0.00 0.00 0.00 0.00 46.02 43.98 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 0.41 -0.60 1.61 3.07 -1.99 -0.47 114.58 116.62 2k5i h GLU 22 Ca 0.00 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 58.76 2k5i h GLU 22 Cb 0.00 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.79 2k5i h GLU 22 CO 0.00 0.27 0.06 1.25 -1.40 0.00 0.00 179.01 179.20 2k5i h LEU 23 N 0.43 0.98 0.01 1.33 5.85 -1.95 -2.11 115.31 119.84 2k5i h LEU 23 Ca 0.43 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 2k5i h LEU 23 Cb 0.67 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2k5i h LEU 23 CO -0.42 1.01 -0.00 -0.74 -0.34 0.00 0.00 178.44 177.94 2k5i h HIS 24 N 0.91 -0.01 0.00 1.25 2.76 -1.35 -0.54 115.15 118.17 2k5i h HIS 24 Ca 0.18 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 2k5i h HIS 24 Cb 0.47 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.43 2k5i h HIS 24 CO 0.03 0.13 -0.10 1.05 -1.30 0.00 0.00 177.93 177.74 2k5i h GLU 25 N -0.15 0.00 0.31 5.26 4.11 -1.31 -1.42 114.58 121.37 2k5i h GLU 25 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 2k5i h GLU 25 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2k5i h GLU 25 CO 0.00 0.10 -0.15 -0.22 0.07 0.00 0.00 179.01 178.82 2k5i h LYS 26 N 0.00 -0.41 -0.83 1.06 3.64 -0.95 -3.33 116.57 115.75 2k5i h LYS 26 Ca -0.00 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2k5i h LYS 26 Cb 0.39 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 2k5i h LYS 26 CO 0.01 -0.08 0.55 -0.07 -2.27 0.00 0.00 179.45 177.59 2k5i h LEU 27 N -0.82 0.96 -0.64 5.20 3.38 -0.53 -2.60 115.31 120.26 2k5i h LEU 27 Ca -0.04 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 57.96 2k5i h LEU 27 Cb 0.52 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 2k5i h LEU 27 CO 0.07 0.70 0.34 -0.37 0.09 0.00 0.00 178.44 179.28 2k5i h VAL 28 N 1.13 0.94 0.00 1.22 -1.51 -1.42 0.62 116.25 117.23 2k5i h VAL 28 Ca 0.30 -0.22 -0.08 0.00 -1.23 0.00 0.00 66.70 65.48 2k5i h VAL 28 Cb -0.12 0.25 -0.01 0.00 -2.13 0.00 0.00 31.29 29.28 2k5i h VAL 28 CO -0.06 0.11 -0.39 1.23 -1.23 0.00 0.00 177.57 177.23 2k5i h GLY 29 N 0.63 0.00 2.00 5.19 0.00 -1.60 -2.22 103.07 107.07 2k5i h GLY 29 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 2k5i h GLY 29 CO -0.20 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.37 2k5i n MET 30 N -4.01 0.06 0.00 4.80 2.00 -0.42 -4.89 117.12 114.66 2k5i n MET 30 Ca -0.02 0.14 0.00 0.00 0.00 0.00 0.00 57.70 57.83 2k5i n MET 30 Cb 0.43 -1.59 0.00 0.00 0.00 0.00 0.00 33.22 32.06 2k5i n MET 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2k5i n GLY 31 N 0.92 0.79 3.19 3.03 0.00 -0.42 -4.90 105.19 107.79 2k5i n GLY 31 Ca 0.05 0.00 -0.41 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 -0.89 3.53 -4.49 1.61 3.01 0.08 -4.76 117.46 115.55 2k5i n PHE 32 Ca 0.00 -2.53 -0.22 0.00 1.01 0.00 0.00 57.45 55.71 2k5i n PHE 32 Cb 0.00 -2.45 -0.14 0.00 -0.01 0.00 0.00 39.48 36.88 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 4.91 1.25 -0.41 -4.37 -7.23 -1.26 -4.17 120.40 109.11 2k5i s VAL 33 Ca 0.54 -0.96 -0.34 0.00 -1.81 0.00 0.00 61.98 59.41 2k5i s VAL 33 Cb 0.09 -1.10 -0.12 0.00 0.56 0.00 0.00 36.38 35.81 2k5i s VAL 33 CO 0.03 0.12 2.25 -2.65 -0.31 0.00 0.00 175.10 174.55 2k5i n PRO 34 N 2.07 0.99 0.00 4.82 -0.02 -1.26 -2.04 135.00 139.56 2k5i n PRO 34 Ca -0.17 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 2k5i n PRO 34 Cb 0.54 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 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 6.50 1.40 3.74 -1.23 0.00 -0.50 -5.02 105.19 110.08 2k5i n GLY 35 Ca 0.43 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.05 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 4.54 0.08 1.61 0.41 -0.86 -4.87 118.70 119.61 2k5i s GLU 36 Ca 0.00 1.15 -0.22 0.00 -0.41 0.00 0.00 54.97 55.49 2k5i s GLU 36 Cb 0.00 -3.36 -0.07 0.00 -1.78 0.00 0.00 34.13 28.92 2k5i s GLU 36 CO 0.00 0.28 0.66 -1.21 -0.49 0.00 0.00 175.26 174.50 2k5i s GLU 37 N -0.08 4.38 -0.04 1.61 8.01 -1.26 -0.52 118.70 130.80 2k5i s GLU 37 Ca 0.40 0.91 0.01 0.00 0.01 0.00 0.00 54.97 56.30 2k5i s GLU 37 Cb -0.21 -3.29 0.02 0.00 -4.31 0.00 0.00 34.13 26.34 2k5i s GLU 37 CO 0.25 0.50 -0.03 -1.50 0.01 0.00 0.00 175.26 174.49 2k5i s ILE 38 N -0.75 0.39 -0.09 -1.63 2.07 0.68 -1.72 121.20 120.16 2k5i s ILE 38 Ca 0.33 -0.05 0.03 0.00 -1.41 0.00 0.00 60.65 59.54 2k5i s ILE 38 Cb -0.20 -0.44 -0.02 0.00 0.13 0.00 0.00 42.46 41.94 2k5i s ILE 38 CO 0.21 0.19 -0.17 -1.83 -1.91 0.00 0.00 174.94 171.43 2k5i s GLU 39 N 0.87 2.94 -0.17 3.50 -1.05 -0.72 -0.84 118.70 123.23 2k5i s GLU 39 Ca -0.10 -0.76 -0.28 0.00 -0.15 0.00 0.00 54.97 53.68 2k5i s GLU 39 Cb -0.13 -2.43 -0.01 0.00 -0.44 0.00 0.00 34.13 31.12 2k5i s GLU 39 CO -0.00 0.35 0.97 0.42 0.95 0.00 0.00 175.26 177.95 2k5i s ILE 40 N -0.05 4.78 -0.07 1.83 -1.09 -1.25 -0.13 121.20 125.22 2k5i s ILE 40 Ca -0.04 1.92 -0.21 0.00 -2.23 0.00 0.00 60.65 60.08 2k5i s ILE 40 Cb -0.14 -4.26 -0.17 0.00 -1.58 0.00 0.00 42.46 36.31 2k5i s ILE 40 CO 0.04 -0.05 0.79 0.58 -1.23 0.00 0.00 174.94 175.07 2k5i h VAL 41 N 5.25 1.02 -2.37 2.92 2.07 -0.25 0.30 116.25 125.18 2k5i h VAL 41 Ca -0.26 -1.39 0.05 0.00 0.82 0.00 0.00 66.70 65.91 2k5i h VAL 41 Cb 1.11 1.78 -0.16 0.00 -1.52 0.00 0.00 31.29 32.51 2k5i h VAL 41 CO 0.89 0.29 0.38 0.00 0.02 0.00 0.00 177.57 179.16 2k5i s GLN 42 N -3.02 0.95 -0.13 1.57 -2.07 -1.04 -4.60 119.66 111.32 2k5i s GLN 42 Ca -0.13 -0.24 -0.04 0.00 -1.82 0.00 0.00 55.36 53.13 2k5i s GLN 42 Cb -0.00 0.44 -0.03 0.00 -1.09 0.00 0.00 33.01 32.32 2k5i s GLN 42 CO 0.49 -0.39 0.02 0.08 -1.32 0.00 0.00 175.29 174.16 2k5i s VAL 43 N -2.85 4.43 0.52 3.63 1.01 -1.26 -0.97 120.40 124.91 2k5i s VAL 43 Ca 0.01 -0.18 -0.22 0.00 0.00 0.00 0.00 61.98 61.59 2k5i s VAL 43 Cb -0.01 -2.93 -0.07 0.00 0.00 0.00 0.00 36.38 33.38 2k5i s VAL 43 CO -0.07 0.53 1.16 0.00 0.00 0.00 0.00 175.10 176.72 2k5i n ALA 44 N 2.90 0.84 0.27 5.51 0.00 -0.83 -4.85 120.51 124.33 2k5i n ALA 44 Ca -0.18 0.13 0.14 0.00 0.00 0.00 0.00 53.44 53.53 2k5i n ALA 44 Cb 0.53 -2.21 0.75 0.00 0.00 0.00 0.00 19.45 18.51 2k5i n ALA 44 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2k5i h PRO 45 N 1.25 0.00 0.08 0.00 0.13 -1.91 0.10 132.00 131.65 2k5i h PRO 45 Ca -0.48 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.33 2k5i h PRO 45 Cb 1.33 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 2k5i h PRO 45 CO 0.55 0.00 -1.69 -0.07 -0.23 0.00 0.00 178.00 176.57 2k5i h LEU 46 N 0.00 0.28 0.00 1.56 4.07 -1.96 -3.49 115.31 115.77 2k5i h LEU 46 Ca 0.00 -0.49 0.00 0.00 0.08 0.00 0.00 57.88 57.47 2k5i h LEU 46 Cb 0.41 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.06 2k5i h LEU 46 CO 0.00 1.42 0.00 0.61 -1.08 0.00 0.00 178.44 179.39 2k5i n GLY 47 N 1.71 2.48 3.32 0.83 0.00 0.36 -4.98 105.19 108.92 2k5i n GLY 47 Ca -0.20 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.01 -0.24 1.08 1.61 -4.77 -1.26 -4.54 116.67 108.53 2k5i s ASP 48 Ca 0.00 -0.20 -0.18 0.00 -3.30 0.00 0.00 52.55 48.87 2k5i s ASP 48 Cb 0.00 0.45 0.25 0.00 -1.09 0.00 0.00 42.92 42.53 2k5i s ASP 48 CO 0.00 -0.77 1.25 -2.16 0.70 0.00 0.00 175.17 174.18 2k5i s PRO 49 N -3.27 -0.31 -0.13 2.11 0.04 -1.26 -4.76 135.00 127.42 2k5i s PRO 49 Ca -0.00 -0.33 0.00 0.00 0.04 0.00 0.00 61.00 60.70 2k5i s PRO 49 Cb 0.01 -1.73 -0.01 0.00 0.04 0.00 0.00 34.50 32.81 2k5i s PRO 49 CO -0.08 -3.06 -0.14 0.96 0.04 0.00 0.00 177.00 174.72 2k5i s ILE 50 N -3.55 2.99 -0.07 0.56 -0.00 -0.63 -1.97 121.20 118.54 2k5i s ILE 50 Ca 0.74 -0.68 -0.23 0.00 -0.00 0.00 0.00 60.65 60.48 2k5i s ILE 50 Cb -0.05 -2.25 -0.04 0.00 -0.00 0.00 0.00 42.46 40.12 2k5i s ILE 50 CO 0.54 0.52 0.68 -0.69 -0.00 0.00 0.00 174.94 175.99 2k5i s VAL 51 N 0.38 5.05 0.32 8.37 1.01 -0.14 -2.44 120.40 132.95 2k5i s VAL 51 Ca -0.11 1.39 0.05 0.00 0.00 0.00 0.00 61.98 63.32 2k5i s VAL 51 Cb -0.16 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 2k5i s VAL 51 CO 0.06 0.27 0.23 0.00 0.00 0.00 0.00 175.10 175.65 2k5i s LYS 53 N -3.61 0.60 -0.88 0.00 1.02 0.82 -0.42 119.74 117.27 2k5i s LYS 53 Ca 0.38 -0.42 -0.18 0.00 0.02 0.00 0.00 55.97 55.77 2k5i s LYS 53 Cb 0.03 -2.08 0.14 0.00 -0.52 0.00 0.00 37.83 35.41 2k5i s LYS 53 CO 0.23 -0.66 1.04 0.42 -0.92 0.00 0.00 175.35 175.46 2k5i s ILE 54 N 1.88 4.84 0.00 2.17 1.01 -0.03 -1.75 121.20 129.32 2k5i s ILE 54 Ca -0.00 -1.60 0.00 0.00 0.00 0.00 0.00 60.65 59.04 2k5i s ILE 54 Cb -0.17 -4.71 0.00 0.00 0.01 0.00 0.00 42.46 37.59 2k5i s ILE 54 CO -0.09 -1.41 0.00 0.61 0.00 0.00 0.00 174.94 174.05 2k5i n GLY 55 N 5.24 0.27 0.10 6.18 0.00 -0.70 -2.89 105.19 113.39 2k5i n GLY 55 Ca 0.19 0.77 -0.12 0.00 0.00 0.00 0.00 46.02 46.86 2k5i n GLY 55 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2k5i h ASN 56 N 0.00 0.12 -5.34 1.61 2.35 -1.91 -3.49 115.58 108.92 2k5i h ASN 56 Ca 0.00 -0.25 -0.14 0.00 -0.55 0.00 0.00 56.30 55.36 2k5i h ASN 56 Cb 0.00 -0.04 -0.14 0.00 0.05 0.00 0.00 38.32 38.19 2k5i h ASN 56 CO 0.00 1.22 -0.51 0.00 -1.65 0.00 0.00 177.43 176.50 2k5i s ARG 57 N -2.59 1.00 0.36 0.81 1.70 -1.14 -5.16 118.95 113.92 2k5i s ARG 57 Ca -0.09 -1.30 -0.23 0.00 -0.47 0.00 0.00 55.73 53.65 2k5i s ARG 57 Cb 0.08 0.30 -0.10 0.00 -0.57 0.00 0.00 34.95 34.65 2k5i s ARG 57 CO 0.81 -0.32 0.91 -0.80 -1.08 0.00 0.00 175.30 174.83 2k5i s ASN 58 N -3.00 7.12 -0.02 -2.89 -0.87 -1.26 -0.85 114.94 113.17 2k5i s ASN 58 Ca 0.19 1.71 0.01 0.00 -1.57 0.00 0.00 52.86 53.20 2k5i s ASN 58 Cb 0.06 -2.54 0.01 0.00 -0.02 0.00 0.00 41.25 38.76 2k5i s ASN 58 CO -0.00 -0.18 -0.02 -0.63 -2.57 0.00 0.00 177.10 173.70 2k5i s ILE 59 N -1.85 0.27 -0.31 0.60 -1.09 0.44 -4.87 121.20 114.39 2k5i s ILE 59 Ca 0.54 -0.04 -0.07 0.00 -2.23 0.00 0.00 60.65 58.85 2k5i s ILE 59 Cb -0.14 -0.30 0.01 0.00 -1.58 0.00 0.00 42.46 40.46 2k5i s ILE 59 CO 0.19 0.13 0.10 -0.89 -1.23 0.00 0.00 174.94 173.24 2k5i s THR 60 N 0.54 4.05 0.01 2.92 2.01 -1.26 -0.66 115.64 123.26 2k5i s THR 60 Ca -0.06 -0.75 0.08 0.00 0.31 0.00 0.00 61.69 61.28 2k5i s THR 60 Cb -0.09 -3.13 -0.02 0.00 0.01 0.00 0.00 72.50 69.27 2k5i s THR 60 CO -0.01 0.01 -0.24 -0.22 -0.69 0.00 0.00 174.62 173.48 2k5i s LEU 61 N 1.50 2.11 0.67 4.42 1.98 -1.02 -4.99 118.68 123.34 2k5i s LEU 61 Ca 0.02 -0.50 -0.10 0.00 -2.89 0.00 0.00 54.13 50.67 2k5i s LEU 61 Cb -0.18 -1.19 0.01 0.00 0.66 0.00 0.00 46.19 45.50 2k5i s LEU 61 CO 0.03 0.25 1.03 -0.13 -1.89 0.00 0.00 176.35 175.65 2k5i s ARG 62 N -0.89 2.93 0.05 1.98 1.81 -1.26 -1.60 118.95 121.96 2k5i s ARG 62 Ca 0.10 0.34 -0.33 0.00 -1.72 0.00 0.00 55.73 54.12 2k5i s ARG 62 Cb -0.09 -2.10 -0.19 0.00 -0.45 0.00 0.00 34.95 32.12 2k5i s ARG 62 CO 0.01 -0.90 1.48 -0.22 -0.68 0.00 0.00 175.30 174.98 2k5i h LYS 63 N -0.49 -0.99 -0.40 3.54 3.64 -1.94 -0.46 116.57 119.47 2k5i h LYS 63 Ca -0.45 0.07 0.12 0.00 -1.27 0.00 0.00 60.65 59.11 2k5i h LYS 63 Cb 1.25 0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 33.28 2k5i h LYS 63 CO 0.63 -0.65 0.29 0.07 -2.27 0.00 0.00 179.45 177.52 2k5i h ARG 64 N -1.11 0.00 0.08 1.90 0.11 -1.99 -1.33 114.38 112.03 2k5i h ARG 64 Ca -0.11 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.85 2k5i h ARG 64 Cb 0.81 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.90 2k5i h ARG 64 CO 0.17 0.00 -0.53 0.93 0.10 0.00 0.00 179.97 180.64 2k5i h GLU 65 N 0.00 0.22 -0.08 0.08 5.08 -1.94 -3.35 114.58 114.58 2k5i h GLU 65 Ca 0.19 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 2k5i h GLU 65 Cb 0.77 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 2k5i h GLU 65 CO -0.00 1.14 0.02 0.00 -1.00 0.00 0.00 179.01 179.16 2k5i h ALA 66 N 0.09 1.88 0.00 3.43 0.00 -0.04 -0.72 119.26 123.91 2k5i h ALA 66 Ca -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2k5i h ALA 66 Cb 1.39 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2k5i h ALA 66 CO 0.10 0.09 0.00 0.22 0.00 0.00 0.00 179.25 179.66 2k5i h ASP 67 N 0.11 0.00 0.03 0.00 3.58 -1.42 -2.02 116.42 116.70 2k5i h ASP 67 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2k5i h ASP 67 Cb 0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2k5i h ASP 67 CO -0.00 0.00 -0.32 0.18 -2.88 0.00 0.00 179.24 176.21 2k5i n LEU 68 N -2.33 1.96 -4.17 2.28 4.77 -0.28 -4.80 117.00 114.43 2k5i n LEU 68 Ca -0.01 -0.68 -0.36 0.00 -0.03 0.00 0.00 56.01 54.92 2k5i n LEU 68 Cb 0.05 -0.02 -0.13 0.00 -2.33 0.00 0.00 43.42 40.99 2k5i n LEU 68 CO 0.11 0.35 -0.26 -0.63 -1.33 0.00 0.00 177.39 175.63 2k5i s ILE 69 N -2.37 3.26 0.08 -0.08 1.09 -0.76 -1.28 121.20 121.14 2k5i s ILE 69 Ca 0.22 -1.60 -0.30 0.00 -1.10 0.00 0.00 60.65 57.87 2k5i s ILE 69 Cb 0.19 -3.01 -0.05 0.00 -1.06 0.00 0.00 42.46 38.52 2k5i s ILE 69 CO 0.50 -0.35 1.07 -0.70 -0.10 0.00 0.00 174.94 175.36 2k5i s GLU 70 N 1.24 4.56 0.31 2.79 2.56 -0.54 -3.40 118.70 126.21 2k5i s GLU 70 Ca 0.01 1.60 0.03 0.00 0.00 0.00 0.00 54.97 56.61 2k5i s GLU 70 Cb -0.21 -3.37 -0.05 0.00 2.00 0.00 0.00 34.13 32.50 2k5i s GLU 70 CO -0.02 -0.03 0.08 0.14 -0.56 0.00 0.00 175.26 174.87 2k5i s VAL 71 N 0.54 0.87 0.02 3.70 -7.23 -0.47 -1.61 120.40 116.22 2k5i s VAL 71 Ca 0.52 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.73 2k5i s VAL 71 Cb -0.26 -2.69 -0.02 0.00 0.56 0.00 0.00 36.38 33.98 2k5i s VAL 71 CO 0.30 0.00 -0.11 -1.83 -0.31 0.00 0.00 175.10 173.15 2k5i s GLU 72 N -3.92 0.80 -0.56 4.82 -1.05 -0.93 -4.47 118.70 113.38 2k5i s GLU 72 Ca 0.36 -0.57 -0.28 0.00 -0.15 0.00 0.00 54.97 54.32 2k5i s GLU 72 Cb 0.08 -0.76 0.03 0.00 -0.44 0.00 0.00 34.13 33.04 2k5i s GLU 72 CO 0.15 0.19 1.20 0.08 0.95 0.00 0.00 175.26 177.83 2k5i s VAL 73 N -0.65 4.03 0.49 1.83 1.01 -1.26 -0.33 120.40 125.52 2k5i s VAL 73 Ca 0.01 0.95 0.25 0.00 0.00 0.00 0.00 61.98 63.19 2k5i s VAL 73 Cb -0.06 -4.69 0.30 0.00 0.00 0.00 0.00 36.38 31.92 2k5i s VAL 73 CO 0.00 -1.27 2.13 0.58 0.00 0.00 0.00 175.10 176.54 2k5i h VAL 74 N 6.19 0.67 0.00 2.92 2.07 -0.87 -2.62 116.25 124.61 2k5i h VAL 74 Ca -0.25 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2k5i h VAL 74 Cb 1.06 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 2k5i h VAL 74 CO 1.18 0.08 0.04 1.23 0.02 0.00 0.00 177.57 180.11 2k5i h GLY 75 N 0.44 0.00 0.00 2.17 0.00 -1.89 -3.47 103.07 100.32 2k5i h GLY 75 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k5i h GLY 75 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.16 2k5i n GLY 76 N -1.13 2.35 3.96 4.60 0.00 -0.99 -5.00 105.19 108.98 2k5i n GLY 76 Ca -0.03 -0.68 -0.19 0.00 0.00 0.00 0.00 46.02 45.12 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 2.64 -0.07 1.61 1.03 -1.26 -4.78 118.70 117.86 2k5i s GLU 77 Ca 0.00 -1.43 -0.11 0.00 0.03 0.00 0.00 54.97 53.46 2k5i s GLU 77 Cb 0.00 -2.58 0.02 0.00 -0.80 0.00 0.00 34.13 30.78 2k5i s GLU 77 CO 0.00 -0.33 0.28 -0.48 -1.33 0.00 0.00 175.26 173.41 2k5i s LEU 78 N -4.30 0.94 0.78 1.83 2.34 0.02 -4.95 118.68 115.33 2k5i s LEU 78 Ca 0.52 0.39 -0.14 0.00 0.06 0.00 0.00 54.13 54.96 2k5i s LEU 78 Cb -0.07 1.04 0.06 0.00 -0.56 0.00 0.00 46.19 46.66 2k5i s LEU 78 CO 0.31 -0.22 1.12 -0.81 -1.06 0.00 0.00 176.35 175.70 2k5i n PRO 79 N 2.36 0.31 -0.16 1.48 -0.04 -1.26 -0.36 135.00 137.33 2k5i n PRO 79 Ca -0.16 0.18 0.14 0.00 -0.04 0.00 0.00 63.50 63.62 2k5i n PRO 79 Cb 0.57 -2.37 0.49 0.00 -0.04 0.00 0.00 33.50 32.15 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 -0.66 0.42 -1.80 1.53 7.12 0.61 0.20 115.31 122.74 2k5i h LEU 80 Ca -0.47 0.02 -0.03 0.00 0.13 0.00 0.00 57.88 57.53 2k5i h LEU 80 Cb 1.31 -0.06 -0.00 0.00 -0.53 0.00 0.00 40.66 41.37 2k5i h LEU 80 CO 0.46 0.23 -0.15 -0.29 -0.13 0.00 0.00 178.44 178.56 2k5i h ILE 81 N 0.46 0.71 -0.00 4.05 6.09 -1.84 -1.51 117.51 125.46 2k5i h ILE 81 Ca 0.36 -0.62 0.00 0.00 -1.37 0.00 0.00 64.86 63.23 2k5i h ILE 81 Cb 0.76 1.38 0.00 0.00 0.47 0.00 0.00 36.82 39.42 2k5i h ILE 81 CO -0.12 0.15 -0.44 0.18 -3.07 0.00 0.00 178.15 174.85 2k5i n LEU 82 N -3.78 0.54 -4.56 2.19 4.77 0.68 -4.86 117.00 111.98 2k5i n LEU 82 Ca -0.02 -0.01 -0.23 0.00 -0.03 0.00 0.00 56.01 55.73 2k5i n LEU 82 Cb 0.26 -0.25 -0.05 0.00 -2.33 0.00 0.00 43.42 41.05 2k5i n LEU 82 CO 0.32 0.13 1.55 0.00 -1.33 0.00 0.00 177.39 178.05 2k5i s ALA 83 N -2.93 1.07 0.36 -1.18 0.00 -0.57 -4.90 121.76 113.61 2k5i s ALA 83 Ca 0.13 -0.46 -0.28 0.00 0.00 0.00 0.00 51.96 51.34 2k5i s ALA 83 Cb 0.18 -4.48 -0.11 0.00 0.00 0.00 0.00 23.12 18.70 2k5i s ALA 83 CO 0.67 -5.33 1.50 -3.47 0.00 0.00 0.00 175.76 169.12 2k5i n ASP 84 N 17.57 3.72 -3.75 0.00 2.03 -1.26 -4.75 116.55 130.11 2k5i n ASP 84 Ca 0.43 1.21 -0.53 0.00 0.52 0.00 0.00 54.79 56.41 2k5i n ASP 84 Cb 0.48 -1.60 -0.09 0.00 -0.72 0.00 0.00 41.12 39.19 2k5i n ASP 84 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2k5i n ASP 85 N 0.85 0.84 0.00 1.67 2.03 -1.26 -4.77 116.55 115.91 2k5i n ASP 85 Ca 0.03 0.81 0.00 0.00 0.52 0.00 0.00 54.79 56.15 2k5i n ASP 85 Cb 0.38 -0.73 0.00 0.00 -0.72 0.00 0.00 41.12 40.05 2k5i n ASP 85 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k5i n GLY 86 N 4.51 -1.03 3.64 0.27 0.00 -1.12 -4.33 105.19 107.13 2k5i n GLY 86 Ca 0.34 -1.18 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 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 4.81 0.38 2.61 2.01 -1.26 -1.18 115.64 120.01 2k5i s THR 87 Ca 0.00 -0.03 0.04 0.00 0.31 0.00 0.00 61.69 62.01 2k5i s THR 87 Cb 0.00 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 2k5i s THR 87 CO 0.00 0.47 0.08 -0.31 -0.69 0.00 0.00 174.62 174.17 2k5i s TYR 88 N 0.32 1.89 -0.03 4.92 1.51 -0.16 -3.50 117.35 122.31 2k5i s TYR 88 Ca 0.03 -1.09 0.02 0.00 -1.01 0.00 0.00 57.07 55.02 2k5i s TYR 88 Cb -0.12 -1.27 0.01 0.00 -0.11 0.00 0.00 41.96 40.47 2k5i s TYR 88 CO 0.00 -0.10 -0.06 -2.00 -1.11 0.00 0.00 175.55 172.28 2k5i s GLU 89 N -3.81 0.79 0.12 -0.62 2.12 -0.48 -0.34 118.70 116.48 2k5i s GLU 89 Ca 0.28 -0.19 -0.30 0.00 0.36 0.00 0.00 54.97 55.12 2k5i s GLU 89 Cb 0.05 -0.77 -0.06 0.00 0.26 0.00 0.00 34.13 33.61 2k5i s GLU 89 CO 0.14 0.03 1.08 -1.50 -0.54 0.00 0.00 175.26 174.47 2k5i s ILE 90 N 0.44 4.13 -0.05 -3.70 2.07 -0.52 -0.02 121.20 123.54 2k5i s ILE 90 Ca -0.06 1.71 0.00 0.00 -1.41 0.00 0.00 60.65 60.89 2k5i s ILE 90 Cb -0.10 -4.10 -0.03 0.00 0.13 0.00 0.00 42.46 38.36 2k5i s ILE 90 CO 0.00 0.24 -0.05 1.07 -1.91 0.00 0.00 174.94 174.29 2k5i n THR 91 N 2.95 0.29 -3.73 4.00 5.66 0.05 -1.94 114.28 121.56 2k5i n THR 91 Ca 0.04 -0.11 -0.13 0.00 -3.05 0.00 0.00 64.05 60.80 2k5i n THR 91 Cb 0.47 -0.79 -0.08 0.00 -1.55 0.00 0.00 70.33 68.39 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 -2.10 0.76 0.03 1.09 -2.85 -1.19 -4.84 119.74 110.63 2k5i s LYS 92 Ca -0.07 -0.23 0.05 0.00 -1.00 0.00 0.00 55.97 54.72 2k5i s LYS 92 Cb 0.02 0.34 -0.03 0.00 -2.06 0.00 0.00 37.83 36.09 2k5i s LYS 92 CO 0.12 -0.22 -0.11 -0.51 0.10 0.00 0.00 175.35 174.73 2k5i s LEU 93 N -1.52 2.98 0.32 2.77 2.01 -1.26 -1.30 118.68 122.68 2k5i s LEU 93 Ca -0.11 -0.27 0.10 0.00 0.01 0.00 0.00 54.13 53.86 2k5i s LEU 93 Cb -0.03 -1.74 -0.05 0.00 0.01 0.00 0.00 46.19 44.38 2k5i s LEU 93 CO 0.03 0.26 -0.05 0.20 1.01 0.00 0.00 176.35 177.79 2k5i s ASN 94 N -1.55 4.04 0.00 2.29 0.02 0.41 -5.00 114.94 115.14 2k5i s ASN 94 Ca 0.17 -0.98 0.00 0.00 -1.02 0.00 0.00 52.86 51.03 2k5i s ASN 94 Cb -0.11 -0.50 0.00 0.00 0.02 0.00 0.00 41.25 40.66 2k5i s ASN 94 CO 0.08 -0.14 0.00 0.61 0.02 0.00 0.00 177.10 177.67 2k5i n GLY 95 N -0.85 0.77 3.78 0.66 0.00 -1.26 -4.82 105.19 103.47 2k5i n GLY 95 Ca -0.05 -2.17 -0.36 0.00 0.00 0.00 0.00 46.02 43.45 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 2.70 0.31 -0.02 0.00 -1.26 -4.87 107.32 104.18 2k5i s GLY 96 Ca 0.00 0.69 0.08 0.00 0.00 0.00 0.00 44.72 45.49 2k5i s GLY 96 CO 0.00 1.10 1.64 0.07 0.00 0.00 0.00 173.10 175.91 2k5i h ARG 97 N 2.32 0.22 -0.11 2.90 -0.00 -1.97 0.14 114.38 117.88 2k5i h ARG 97 Ca -0.49 -0.01 0.03 0.00 -0.00 0.00 0.00 59.98 59.51 2k5i h ARG 97 Cb 1.22 -0.05 -0.00 0.00 -0.00 0.00 0.00 29.97 31.13 2k5i h ARG 97 CO 0.62 0.15 0.09 0.07 -0.00 0.00 0.00 179.97 180.89 2k5i h ARG 98 N 0.23 0.00 -0.02 0.08 -0.00 -2.00 0.23 114.38 112.89 2k5i h ARG 98 Ca 0.64 0.00 -0.15 0.00 -0.00 0.00 0.00 59.98 60.48 2k5i h ARG 98 Cb 1.40 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 31.38 2k5i h ARG 98 CO -0.66 0.00 -0.55 0.35 -0.00 0.00 0.00 179.97 179.10 2k5i h PHE 99 N 0.00 0.61 -0.68 4.08 3.57 -1.10 -2.97 116.94 120.45 2k5i h PHE 99 Ca 0.05 -0.31 0.06 0.00 3.53 0.00 0.00 57.97 61.30 2k5i h PHE 99 Cb 0.23 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.85 2k5i h PHE 99 CO 0.00 1.12 0.45 -0.07 -2.23 0.00 0.00 178.31 177.58 2k5i h LEU 100 N -0.08 0.60 -0.11 0.59 3.38 -0.90 -0.37 115.31 118.43 2k5i h LEU 100 Ca -0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2k5i h LEU 100 Cb 1.25 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2k5i h LEU 100 CO 0.11 0.39 0.06 0.15 0.09 0.00 0.00 178.44 179.24 2k5i h PHE 101 N 0.69 0.14 -0.96 1.13 3.57 -1.11 -2.89 116.94 117.51 2k5i h PHE 101 Ca 0.30 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.92 2k5i h PHE 101 Cb 0.28 -0.05 -0.09 0.00 2.79 0.00 0.00 35.95 38.89 2k5i h PHE 101 CO -0.00 0.13 0.59 0.00 -2.23 0.00 0.00 178.31 176.80 2k5i h ARG 102 N 0.11 0.89 -0.57 1.11 2.47 -0.94 -2.48 114.38 114.97 2k5i h ARG 102 Ca 0.04 -0.05 0.06 0.00 -1.26 0.00 0.00 59.98 58.77 2k5i h ARG 102 Cb 0.03 -0.20 -0.05 0.00 -1.65 0.00 0.00 29.97 28.10 2k5i h ARG 102 CO -0.01 0.59 0.27 0.52 0.56 0.00 0.00 179.97 181.91 2k5i h MET 103 N 0.92 0.50 0.00 0.04 2.86 -1.05 -1.15 114.93 117.05 2k5i h MET 103 Ca 0.49 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 58.08 2k5i h MET 103 Cb 0.51 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 2k5i h MET 103 CO -0.28 0.33 -0.05 0.87 1.06 0.00 0.00 176.91 178.84 2k5i h LYS 104 N 0.52 0.00 -0.03 1.72 1.57 -1.32 -0.08 116.57 118.95 2k5i h LYS 104 Ca 0.26 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.91 2k5i h LYS 104 Cb 0.21 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 2k5i h LYS 104 CO -0.20 0.05 -0.60 -0.91 -0.57 0.00 0.00 179.45 177.21 2k5i h ASN 105 N 0.00 0.12 0.73 0.86 2.35 -1.14 -3.14 115.58 115.36 2k5i h ASN 105 Ca -0.00 -0.07 -0.26 0.00 -0.55 0.00 0.00 56.30 55.43 2k5i h ASN 105 Cb 0.09 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 2k5i h ASN 105 CO 0.01 0.69 -1.26 -0.07 -1.65 0.00 0.00 177.43 175.15 2k5i h LEU 106 N 0.07 0.19 0.00 1.61 -0.00 -0.95 -3.48 115.31 112.75 2k5i h LEU 106 Ca -0.01 -0.23 0.00 0.00 -0.00 0.00 0.00 57.88 57.64 2k5i h LEU 106 Cb 1.09 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.68 2k5i h LEU 106 CO 0.09 1.19 0.00 0.61 -0.00 0.00 0.00 178.44 180.32 2k5i n GLY 107 N 1.49 0.65 3.56 0.83 0.00 -0.14 -4.95 105.19 106.63 2k5i n GLY 107 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 2k5i n GLY 107 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k5i s ILE 108 N -1.43 3.50 0.00 -0.61 -0.00 -0.64 -4.89 121.20 117.14 2k5i s ILE 108 Ca 0.00 -0.74 0.00 0.00 -0.00 0.00 0.00 60.65 59.91 2k5i s ILE 108 Cb 0.00 -2.48 0.00 0.00 -0.00 0.00 0.00 42.46 39.98 2k5i s ILE 108 CO 0.00 0.46 0.00 -1.84 -0.00 0.00 0.00 174.94 173.56 2k5i n GLU 109 N 1.79 0.00 0.00 0.37 0.28 -1.26 -2.92 120.64 118.90 2k5i n GLU 109 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.84 2k5i n GLU 109 Cb 0.53 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.40 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 -1.50 0.00 -3.66 -1.84 2.88 -1.26 -4.70 113.62 103.54 2k5i n SER 110 Ca 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 2k5i n SER 110 Cb 0.00 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.53 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 -0.18 -0.54 3.21 0.46 0.00 -0.82 -4.99 105.19 102.32 2k5i n GLY 111 Ca 0.00 0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 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 -6.37 2.20 -0.32 1.61 -0.14 -1.26 -4.97 119.74 110.50 2k5i s LYS 112 Ca 0.60 -0.77 -0.28 0.00 -1.36 0.00 0.00 55.97 54.16 2k5i s LYS 112 Cb -0.27 -1.88 0.01 0.00 -1.68 0.00 0.00 37.83 34.01 2k5i s LYS 112 CO 0.75 0.32 1.00 0.15 -0.76 0.00 0.00 175.35 176.81 2k5i s LYS 113 N -0.07 4.03 -0.24 1.68 3.01 -1.26 -1.45 119.74 125.45 2k5i s LYS 113 Ca -0.04 0.94 -0.07 0.00 -1.01 0.00 0.00 55.97 55.79 2k5i s LYS 113 Cb -0.13 -3.74 -0.03 0.00 -1.01 0.00 0.00 37.83 32.93 2k5i s LYS 113 CO 0.03 -0.85 0.07 -1.50 0.51 0.00 0.00 175.35 173.62 2k5i s ILE 114 N 3.47 4.42 -0.30 2.17 1.10 0.53 -3.95 121.20 128.65 2k5i s ILE 114 Ca 0.42 -0.14 -0.20 0.00 -0.51 0.00 0.00 60.65 60.22 2k5i s ILE 114 Cb -0.13 -3.05 -0.01 0.00 0.15 0.00 0.00 42.46 39.42 2k5i s ILE 114 CO 0.15 0.36 0.60 -1.10 -2.11 0.00 0.00 174.94 172.83 2k5i s GLN 115 N 1.39 3.92 -0.50 3.50 1.11 0.51 -0.98 119.66 128.61 2k5i s GLN 115 Ca 0.05 0.28 -0.18 0.00 0.01 0.00 0.00 55.36 55.52 2k5i s GLN 115 Cb -0.15 -3.72 0.06 0.00 -1.01 0.00 0.00 33.01 28.20 2k5i s GLN 115 CO 0.04 -0.53 0.58 0.08 0.01 0.00 0.00 175.29 175.47 2k5i s VAL 116 N 2.53 4.95 -0.73 1.09 1.01 -0.32 -1.22 120.40 127.71 2k5i s VAL 116 Ca 0.24 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.49 2k5i s VAL 116 Cb -0.15 -4.27 0.19 0.00 0.00 0.00 0.00 36.38 32.15 2k5i s VAL 116 CO 0.11 -0.77 0.62 -0.44 0.00 0.00 0.00 175.10 174.63 2k5i s SER 117 N 2.70 6.10 0.00 3.32 0.01 -0.35 -2.81 113.70 122.68 2k5i s SER 117 Ca 0.13 -2.73 0.00 0.00 1.31 0.00 0.00 55.95 54.66 2k5i s SER 117 Cb -0.20 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 63.97 2k5i s SER 117 CO 0.11 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 173.87 2k5i n GLY 118 N 3.81 1.28 0.36 3.44 0.00 -1.26 -1.42 105.19 111.39 2k5i n GLY 118 Ca 0.10 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.53 2k5i n GLY 118 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2k5i n ARG 119 N 0.00 0.00 -5.11 1.61 0.00 -1.26 -4.85 116.66 107.05 2k5i n ARG 119 Ca 0.00 -0.61 -0.32 0.00 -0.00 0.00 0.00 57.85 56.92 2k5i n ARG 119 Cb 0.00 -0.35 -0.16 0.00 -0.00 0.00 0.00 32.46 31.95 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 2.89 -0.05 2.89 1.70 -0.51 -4.97 118.95 120.90 2k5i s ARG 120 Ca 0.00 -0.83 0.05 0.00 -0.47 0.00 0.00 55.73 54.48 2k5i s ARG 120 Cb 0.00 -2.33 -0.02 0.00 -0.57 0.00 0.00 34.95 32.03 2k5i s ARG 120 CO 0.00 0.30 -0.18 0.71 -1.08 0.00 0.00 175.30 175.05 2k5i s TYR 121 N 0.06 2.59 -0.03 5.89 2.02 -1.26 -1.21 117.35 125.41 2k5i s TYR 121 Ca -0.09 -0.34 0.04 0.00 -0.37 0.00 0.00 57.07 56.31 2k5i s TYR 121 Cb -0.15 -1.62 -0.01 0.00 -0.40 0.00 0.00 41.96 39.79 2k5i s TYR 121 CO 0.06 0.04 -0.14 0.71 -1.57 0.00 0.00 175.55 174.64 2k5i s TYR 122 N -0.52 1.38 -0.60 2.71 1.51 -0.36 -0.99 117.35 120.48 2k5i s TYR 122 Ca 0.07 -0.33 -0.17 0.00 -1.01 0.00 0.00 57.07 55.63 2k5i s TYR 122 Cb -0.11 -0.92 0.14 0.00 -0.11 0.00 0.00 41.96 40.95 2k5i s TYR 122 CO 0.01 -0.09 0.61 0.42 -1.11 0.00 0.00 175.55 175.39 2k5i s ILE 123 N -0.10 5.16 -1.56 2.71 -1.09 0.31 -0.36 121.20 126.27 2k5i s ILE 123 Ca 0.01 -1.51 0.00 0.00 -2.23 0.00 0.00 60.65 56.91 2k5i s ILE 123 Cb -0.08 -4.41 0.00 0.00 -1.58 0.00 0.00 42.46 36.39 2k5i s ILE 123 CO 0.01 -0.97 0.00 -0.62 -1.23 0.00 0.00 174.94 172.12 2k5i n GLU 124 N 5.38 -1.77 0.00 2.79 1.02 -1.25 -1.26 120.64 125.54 2k5i n GLU 124 Ca -0.08 0.88 0.00 0.00 -0.02 0.00 0.00 57.16 57.94 2k5i n GLU 124 Cb 0.42 -5.43 0.00 0.00 -0.02 0.00 0.00 31.44 26.41 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 -0.75 2.17 3.67 0.62 0.00 -1.26 -5.10 105.19 104.54 2k5i n GLY 125 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 2k5i n GLY 125 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k5i s ARG 126 N -0.24 4.25 -0.02 1.61 1.81 -0.39 -5.01 118.95 120.97 2k5i s ARG 126 Ca 0.00 0.75 -0.30 0.00 -1.72 0.00 0.00 55.73 54.46 2k5i s ARG 126 Cb 0.00 -3.57 -0.07 0.00 -0.45 0.00 0.00 34.95 30.86 2k5i s ARG 126 CO 0.00 -0.25 1.76 -1.21 -0.68 0.00 0.00 175.30 174.92 2k5i s GLU 127 N 1.92 4.17 -0.16 3.54 2.02 -1.26 -0.53 118.70 128.39 2k5i s GLU 127 Ca 0.32 2.34 -0.13 0.00 0.02 0.00 0.00 54.97 57.52 2k5i s GLU 127 Cb -0.16 -4.04 -0.05 0.00 0.10 0.00 0.00 34.13 29.98 2k5i s GLU 127 CO 0.11 -0.88 0.25 0.42 0.02 0.00 0.00 175.26 175.18 2k5i s ILE 128 N 4.16 5.33 -0.92 -1.63 -1.09 -0.16 -4.94 121.20 121.95 2k5i s ILE 128 Ca 0.79 0.46 -0.24 0.00 -2.23 0.00 0.00 60.65 59.42 2k5i s ILE 128 Cb -0.37 -3.59 0.00 0.00 -1.58 0.00 0.00 42.46 36.93 2k5i s ILE 128 CO 0.34 0.41 1.68 -0.62 -1.23 0.00 0.00 174.94 175.52 2k5i s ASP 129 N 0.35 5.81 0.27 3.58 2.15 -1.26 -4.57 116.67 122.99 2k5i s ASP 129 Ca 0.15 -0.91 0.02 0.00 0.43 0.00 0.00 52.55 52.23 2k5i s ASP 129 Cb -0.13 -2.56 -0.05 0.00 -0.30 0.00 0.00 42.92 39.88 2k5i s ASP 129 CO 0.03 -2.12 0.08 -0.76 -0.17 0.00 0.00 175.17 172.23 2k5i s LEU 130 N 7.49 1.77 0.44 -1.34 1.43 -1.26 -4.96 118.68 122.25 2k5i s LEU 130 Ca 0.57 -1.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.30 2k5i s LEU 130 Cb -0.04 -0.06 0.00 0.00 0.03 0.00 0.00 46.19 46.11 2k5i s LEU 130 CO -0.02 -0.69 0.00 0.61 0.23 0.00 0.00 176.35 176.48 2k5i n GLY 131 N -0.49 -1.74 1.79 -3.19 0.00 -1.26 -5.02 105.19 95.28 2k5i n GLY 131 Ca -0.01 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 -3.40 -2.87 -0.20 1.61 4.19 -1.26 -4.89 117.16 110.34 2k5i n TYR 132 Ca 0.00 0.44 -0.00 0.00 3.31 0.00 0.00 57.90 61.65 2k5i n TYR 132 Cb 0.00 1.41 0.10 0.00 0.49 0.00 0.00 39.34 41.34 2k5i n TYR 132 CO 0.00 0.00 0.00 0.78 0.91 0.00 0.00 176.86 178.55 2k5i h GLY 133 N 0.00 0.84 1.06 2.98 0.00 -1.99 0.15 103.07 106.11 2k5i h GLY 133 Ca 0.00 -0.12 -0.26 0.00 0.00 0.00 0.00 47.33 46.96 2k5i h GLY 133 CO 0.00 -0.02 -1.07 1.05 0.00 0.00 0.00 176.54 176.51 2k5i h GLU 134 N 0.40 0.54 -0.47 4.80 9.09 -1.95 -3.36 114.58 123.63 2k5i h GLU 134 Ca 0.30 -0.72 -0.01 0.00 0.05 0.00 0.00 59.36 58.99 2k5i h GLU 134 Cb 0.37 0.24 -0.02 0.00 -1.65 0.00 0.00 28.75 27.68 2k5i h GLU 134 CO -0.30 1.31 0.27 0.00 0.05 0.00 0.00 179.01 180.34 2k5i h ALA 135 N 0.26 1.58 0.00 1.06 0.00 -1.72 -1.56 119.26 118.88 2k5i h ALA 135 Ca -0.16 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2k5i h ALA 135 Cb 1.77 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2k5i h ALA 135 CO 0.20 0.36 0.00 -2.37 0.00 0.00 0.00 179.25 177.44 2k5i n THR 136 N -4.42 0.87 0.79 0.00 5.66 0.46 -2.04 114.28 115.60 2k5i n THR 136 Ca 0.04 0.22 0.11 0.00 -3.05 0.00 0.00 64.05 61.37 2k5i n THR 136 Cb 0.09 -1.00 0.10 0.00 -1.55 0.00 0.00 70.33 67.97 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 -1.39 0.14 -3.15 1.09 5.02 -0.59 -4.67 118.16 114.61 2k5i n LYS 137 Ca 0.05 0.01 -0.43 0.00 -2.02 0.00 0.00 58.31 55.91 2k5i n LYS 137 Cb 0.13 -1.56 -0.07 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 -3.09 4.88 -0.24 -0.18 1.09 -0.87 -0.45 121.20 122.34 2k5i s ILE 138 Ca 0.07 -0.11 -0.21 0.00 -1.10 0.00 0.00 60.65 59.29 2k5i s ILE 138 Cb 0.16 -4.21 -0.02 0.00 -1.06 0.00 0.00 42.46 37.33 2k5i s ILE 138 CO 0.76 -0.63 0.68 0.26 -0.10 0.00 0.00 174.94 175.91 2k5i s TRP 139 N 2.68 3.30 0.32 3.97 0.52 -0.42 0.91 118.94 130.22 2k5i s TRP 139 Ca 0.19 0.91 0.10 0.00 0.02 0.00 0.00 56.10 57.32 2k5i s TRP 139 Cb -0.16 -2.88 -0.06 0.00 -1.15 0.00 0.00 33.47 29.22 2k5i s TRP 139 CO 0.16 -0.32 -0.12 0.14 0.02 0.00 0.00 176.95 176.83 2k5i s VAL 140 N 2.50 2.38 0.15 4.03 -7.23 0.51 -0.77 120.40 121.97 2k5i s VAL 140 Ca 0.29 -2.26 0.09 0.00 -1.81 0.00 0.00 61.98 58.28 2k5i s VAL 140 Cb -0.15 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 2k5i s VAL 140 CO 0.08 -0.28 -0.19 -0.13 -0.31 0.00 0.00 175.10 174.28 2k5i s ARG 141 N -3.58 1.26 -0.11 4.82 0.52 0.98 -0.80 118.95 122.03 2k5i s ARG 141 Ca 0.32 -1.36 -0.30 0.00 -0.52 0.00 0.00 55.73 53.87 2k5i s ARG 141 Cb -0.01 -1.37 -0.01 0.00 0.52 0.00 0.00 34.95 34.08 2k5i s ARG 141 CO 0.16 0.29 1.09 1.03 0.02 0.00 0.00 175.30 177.89 2k5i s ARG 142 N -2.60 4.36 0.00 3.54 1.81 -1.26 -1.38 118.95 123.42 2k5i s ARG 142 Ca 0.14 1.49 0.00 0.00 -1.72 0.00 0.00 55.73 55.64 2k5i s ARG 142 Cb -0.07 -3.58 0.00 0.00 -0.45 0.00 0.00 34.95 30.86 2k5i s ARG 142 CO 0.06 -0.43 0.00 1.33 -0.68 0.00 0.00 175.30 175.59 2k5i n VAL 143 N 4.74 0.00 -1.53 3.52 0.24 -1.23 -4.97 118.33 119.11 2k5i n VAL 143 Ca 0.10 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.23 2k5i n VAL 143 Cb 0.47 -0.90 -0.07 0.00 -1.47 0.00 0.00 33.84 31.87 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 -1.94 -4.53 0.28 -1.34 2.88 -1.25 -4.84 113.62 102.88 2k5i n SER 144 Ca 0.00 0.41 0.12 0.00 -1.33 0.00 0.00 58.87 58.08 2k5i n SER 144 Cb 0.46 -4.08 0.78 0.00 -0.75 0.00 0.00 64.21 60.63 2k5i n SER 144 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2k5i h ASP 145 N 0.00 0.00 -0.29 -3.46 3.58 -1.91 0.92 116.42 115.26 2k5i h ASP 145 Ca -0.35 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.10 2k5i h ASP 145 Cb 1.12 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.17 2k5i h ASP 145 CO 0.51 0.05 0.00 0.00 -2.88 0.00 0.00 179.24 176.92 2k5i n ALA 146 N -2.37 2.41 0.00 -0.78 0.00 -1.26 -4.97 120.51 113.54 2k5i n ALA 146 Ca -0.03 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.49 2k5i n ALA 146 Cb 0.13 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 18.82 2k5i n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k5i n GLY 147 N 1.28 3.18 3.66 0.00 0.00 0.32 -5.01 105.19 108.62 2k5i n GLY 147 Ca 0.16 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 1.85 0.00 1.61 -0.58 -1.26 -4.97 120.64 115.28 2k5i n GLU 148 Ca 0.00 0.66 0.00 0.00 -0.42 0.00 0.00 57.16 57.40 2k5i n GLU 148 Cb 0.00 -2.55 0.00 0.00 -0.57 0.00 0.00 31.44 28.32 2k5i n GLU 148 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2k5i n GLU 149 N 6.73 -0.18 -4.67 3.49 1.02 -1.26 -4.38 120.64 121.39 2k5i n GLU 149 Ca 0.26 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 57.07 2k5i n GLU 149 Cb 0.26 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.56 2k5i n GLU 149 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2k5i s SER 150 N -1.12 4.40 -0.30 1.62 1.04 -1.26 -4.47 113.70 113.61 2k5i s SER 150 Ca 0.00 -0.15 -0.12 0.00 0.48 0.00 0.00 55.95 56.16 2k5i s SER 150 Cb 0.00 -1.33 0.12 0.00 0.10 0.00 0.00 66.02 64.91 2k5i s SER 150 CO 0.00 0.27 0.67 -1.38 0.98 0.00 0.00 173.24 173.79 2k5i s HIS 151 N -0.29 -1.26 -0.93 5.02 -3.43 -1.26 -5.09 115.29 108.04 2k5i s HIS 151 Ca 0.03 2.25 -0.22 0.00 -0.80 0.00 0.00 55.06 56.32 2k5i s HIS 151 Cb -0.13 0.75 -0.24 0.00 -1.43 0.00 0.00 32.58 31.54 2k5i s HIS 151 CO 0.03 -0.62 2.45 -0.35 -2.00 0.00 0.00 174.74 174.24 2k5i n PRO 152 N 5.16 0.15 -3.49 -0.38 -0.04 -1.26 -4.34 135.00 130.80 2k5i n PRO 152 Ca -0.14 -0.07 -0.38 0.00 -0.04 0.00 0.00 63.50 62.87 2k5i n PRO 152 Cb 0.51 -1.70 -0.06 0.00 -0.04 0.00 0.00 33.50 32.22 2k5i n PRO 152 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2k5i s GLN 153 N 8.21 3.94 -0.28 0.54 2.00 -1.26 -4.95 119.66 127.85 2k5i s GLN 153 Ca 1.27 0.43 -0.13 0.00 -2.00 0.00 0.00 55.36 54.93 2k5i s GLN 153 Cb -0.91 -3.22 -0.04 0.00 0.80 0.00 0.00 33.01 29.63 2k5i s GLN 153 CO 0.46 0.68 0.29 0.15 -0.50 0.00 0.00 175.29 176.37 2k5i s LYS 154 N -1.05 3.94 0.05 1.67 3.01 -1.26 -4.78 119.74 121.32 2k5i s LYS 154 Ca 0.24 -0.16 0.08 0.00 -1.01 0.00 0.00 55.97 55.12 2k5i s LYS 154 Cb -0.17 -3.67 -0.03 0.00 -1.01 0.00 0.00 37.83 32.95 2k5i s LYS 154 CO 0.14 -0.26 -0.21 -0.51 0.51 0.00 0.00 175.35 175.01 2k5i s LEU 155 N 1.93 2.45 0.85 3.17 1.02 -1.26 -5.01 118.68 121.82 2k5i s LEU 155 Ca 0.11 -0.50 -0.11 0.00 0.02 0.00 0.00 54.13 53.64 2k5i s LEU 155 Cb -0.16 -1.42 0.10 0.00 0.02 0.00 0.00 46.19 44.73 2k5i s LEU 155 CO 0.11 0.25 1.09 -1.83 0.02 0.00 0.00 176.35 175.99 2k5i s GLU 156 N -1.43 1.62 -0.02 1.70 -1.05 -1.26 -4.84 118.70 113.43 2k5i s GLU 156 Ca 0.14 0.89 0.02 0.00 -0.15 0.00 0.00 54.97 55.86 2k5i s GLU 156 Cb -0.10 -1.85 -0.03 0.00 -0.44 0.00 0.00 34.13 31.71 2k5i s GLU 156 CO 0.04 -2.01 -0.03 -3.38 0.95 0.00 0.00 175.26 170.83 2k5i s HIS 157 N -2.95 3.00 0.00 4.83 -3.43 -1.26 -4.97 115.29 110.50 2k5i s HIS 157 Ca 0.62 0.04 0.00 0.00 -0.80 0.00 0.00 55.06 54.93 2k5i s HIS 157 Cb -0.17 -1.66 0.00 0.00 -1.43 0.00 0.00 32.58 29.31 2k5i s HIS 157 CO 0.56 0.41 0.00 0.72 -2.00 0.00 0.00 174.74 174.44 2k5i n HIS 158 N 1.64 -0.02 -4.41 0.38 8.25 -1.26 -4.88 115.22 114.92 2k5i n HIS 158 Ca -0.16 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.10 2k5i n HIS 158 Cb 0.53 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.53 2k5i n HIS 158 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2k5i s HIS 159 N -2.45 1.85 -0.00 4.41 3.76 -1.26 -4.99 115.29 116.61 2k5i s HIS 159 Ca 0.00 -0.99 -0.19 0.00 -0.15 0.00 0.00 55.06 53.73 2k5i s HIS 159 Cb 0.00 -1.17 0.03 0.00 1.11 0.00 0.00 32.58 32.55 2k5i s HIS 159 CO 0.00 -0.06 0.40 -3.38 -0.85 0.00 0.00 174.74 170.86 2k5i s HIS 160 N -3.39 -0.29 0.34 1.40 -3.43 -1.26 -4.44 115.29 104.21 2k5i s HIS 160 Ca 0.36 0.41 0.08 0.00 -0.80 0.00 0.00 55.06 55.11 2k5i s HIS 160 Cb 0.08 0.19 -0.06 0.00 -1.43 0.00 0.00 32.58 31.35 2k5i s HIS 160 CO 0.14 -0.48 -0.07 -1.01 -2.00 0.00 0.00 174.74 171.32 2k5i s HIS 161 N -1.63 2.30 -1.60 0.38 3.76 -1.26 -5.15 115.29 112.09 2k5i s HIS 161 Ca -0.11 -0.57 0.00 0.00 -0.15 0.00 0.00 55.06 54.23 2k5i s HIS 161 Cb -0.03 -1.36 0.00 0.00 1.11 0.00 0.00 32.58 32.30 2k5i s HIS 161 CO 0.03 0.49 0.40 -2.39 -0.85 0.00 0.00 174.74 172.42