#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5i n LYS 2 N 0.00 2.73 0.24 2.12 3.00 -1.26 -0.61 118.16 124.37 2k5i n LYS 2 Ca 0.00 1.00 0.15 0.00 -0.00 0.00 0.00 58.31 59.46 2k5i n LYS 2 Cb 0.00 -2.93 0.51 0.00 0.00 0.00 0.00 35.03 32.62 2k5i n LYS 2 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.40 178.77 2k5i h LEU 3 N 10.09 0.00 0.00 3.14 8.10 -1.81 -3.07 115.31 131.76 2k5i h LEU 3 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.50 2k5i h LEU 3 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.46 2k5i h LEU 3 CO 0.94 0.00 0.00 -0.24 -4.11 0.00 0.00 178.44 175.03 2k5i n SER 4 N -2.96 0.00 -0.26 0.17 2.88 -1.26 -1.00 113.62 111.19 2k5i n SER 4 Ca 0.02 -0.10 0.03 0.00 -1.33 0.00 0.00 58.87 57.49 2k5i n SER 4 Cb 0.36 -0.16 0.05 0.00 -0.75 0.00 0.00 64.21 63.71 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 -1.16 1.51 -2.29 -1.46 1.85 -1.16 -5.07 116.66 108.88 2k5i n ARG 5 Ca 0.07 -1.34 -0.37 0.00 -1.00 0.00 0.00 57.85 55.21 2k5i n ARG 5 Cb 0.07 -1.12 -0.01 0.00 -1.05 0.00 0.00 32.46 30.35 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 -0.75 4.06 -0.07 2.89 2.96 -0.17 -4.82 118.68 122.78 2k5i s LEU 6 Ca 0.09 2.29 -0.16 0.00 -0.22 0.00 0.00 54.13 56.12 2k5i s LEU 6 Cb 0.05 -4.19 -0.05 0.00 0.50 0.00 0.00 46.19 42.50 2k5i s LEU 6 CO 0.07 -0.82 0.42 -0.69 -1.32 0.00 0.00 176.35 174.01 2k5i s VAL 7 N -1.53 5.12 0.19 1.68 1.01 -1.26 -5.01 120.40 120.60 2k5i s VAL 7 Ca 0.62 0.85 -0.33 0.00 0.00 0.00 0.00 61.98 63.12 2k5i s VAL 7 Cb -0.28 -3.75 -0.15 0.00 0.00 0.00 0.00 36.38 32.20 2k5i s VAL 7 CO 0.35 0.45 1.28 -2.65 0.00 0.00 0.00 175.10 174.53 2k5i n PRO 8 N 2.78 1.50 0.00 2.72 -0.02 -1.26 -1.96 135.00 138.76 2k5i n PRO 8 Ca -0.11 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2k5i n PRO 8 Cb 0.52 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 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 2.16 3.30 3.67 -1.23 0.00 0.43 -4.99 105.19 108.53 2k5i n GLY 9 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.35 4.72 0.19 1.61 1.01 -0.83 -4.93 120.40 119.82 2k5i s VAL 10 Ca 0.00 2.00 -0.30 0.00 0.00 0.00 0.00 61.98 63.68 2k5i s VAL 10 Cb 0.00 -4.30 -0.08 0.00 0.00 0.00 0.00 36.38 32.01 2k5i s VAL 10 CO 0.00 -0.12 1.00 -2.16 0.00 0.00 0.00 175.10 173.82 2k5i s PRO 11 N 2.87 4.72 0.32 2.72 0.04 -1.26 -4.00 135.00 140.41 2k5i s PRO 11 Ca 0.44 1.56 0.02 0.00 0.04 0.00 0.00 61.00 63.07 2k5i s PRO 11 Cb -0.16 -3.30 -0.02 0.00 0.04 0.00 0.00 34.50 31.06 2k5i s PRO 11 CO 0.09 0.29 0.34 0.00 0.04 0.00 0.00 177.00 177.76 2k5i s ALA 12 N -0.59 1.31 -0.01 8.56 0.00 0.04 -1.05 121.76 130.01 2k5i s ALA 12 Ca 0.45 -1.79 0.04 0.00 0.00 0.00 0.00 51.96 50.66 2k5i s ALA 12 Cb -0.27 1.34 -0.01 0.00 0.00 0.00 0.00 23.12 24.18 2k5i s ALA 12 CO 0.33 -0.71 -0.11 0.50 0.00 0.00 0.00 175.76 175.77 2k5i s ARG 13 N -3.41 0.93 -0.34 0.00 3.52 0.15 -0.35 118.95 119.45 2k5i s ARG 13 Ca 0.36 -0.42 -0.28 0.00 -0.13 0.00 0.00 55.73 55.27 2k5i s ARG 13 Cb 0.02 -0.90 -0.04 0.00 -1.56 0.00 0.00 34.95 32.47 2k5i s ARG 13 CO 0.22 0.24 2.11 0.42 -0.81 0.00 0.00 175.30 177.49 2k5i s ILE 14 N -0.29 3.17 -0.00 4.11 -1.09 0.52 -0.51 121.20 127.11 2k5i s ILE 14 Ca 0.04 0.16 -0.06 0.00 -2.23 0.00 0.00 60.65 58.56 2k5i s ILE 14 Cb -0.05 -3.27 -0.03 0.00 -1.58 0.00 0.00 42.46 37.54 2k5i s ILE 14 CO -0.00 -0.20 0.67 0.11 -1.23 0.00 0.00 174.94 174.29 2k5i h LYS 15 N 15.35 -0.19 -2.33 2.79 1.79 -0.58 -1.26 116.57 132.14 2k5i h LYS 15 Ca -0.34 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.15 2k5i h LYS 15 Cb 1.22 0.04 -0.16 0.00 -1.58 0.00 0.00 32.23 31.75 2k5i h LYS 15 CO 1.04 -0.13 0.31 -0.98 -1.08 0.00 0.00 179.45 178.61 2k5i s ARG 16 N -2.67 1.02 -0.43 3.15 1.70 -1.17 -4.66 118.95 115.89 2k5i s ARG 16 Ca -0.03 -0.11 -0.10 0.00 -0.47 0.00 0.00 55.73 55.02 2k5i s ARG 16 Cb 0.00 0.48 0.08 0.00 -0.57 0.00 0.00 34.95 34.94 2k5i s ARG 16 CO 0.09 -0.39 0.29 -0.51 -1.08 0.00 0.00 175.30 173.69 2k5i s LEU 17 N -1.95 5.28 -1.48 -1.89 1.02 -1.26 -1.02 118.68 117.38 2k5i s LEU 17 Ca -0.03 -1.54 -0.10 0.00 0.02 0.00 0.00 54.13 52.48 2k5i s LEU 17 Cb -0.01 -2.01 0.02 0.00 0.02 0.00 0.00 46.19 44.21 2k5i s LEU 17 CO -0.03 -0.57 2.50 -1.84 0.02 0.00 0.00 176.35 176.43 2k5i n GLU 18 N 4.95 3.57 -3.63 1.70 0.28 0.51 -4.83 120.64 123.19 2k5i n GLU 18 Ca -0.10 -2.71 -0.15 0.00 -0.16 0.00 0.00 57.16 54.04 2k5i n GLU 18 Cb 0.43 -2.94 -0.07 0.00 1.43 0.00 0.00 31.44 30.28 2k5i n GLU 18 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2k5i s VAL 19 N 1.71 0.01 0.02 3.84 0.11 -1.26 -4.79 120.40 120.04 2k5i s VAL 19 Ca 0.56 -0.04 -0.05 0.00 -2.93 0.00 0.00 61.98 59.52 2k5i s VAL 19 Cb 0.16 -0.88 -0.01 0.00 -1.53 0.00 0.00 36.38 34.12 2k5i s VAL 19 CO -0.07 -0.02 0.08 -0.44 -3.33 0.00 0.00 175.10 171.32 2k5i s SER 20 N -0.24 0.13 0.00 3.54 0.01 -1.26 -4.65 113.70 111.23 2k5i s SER 20 Ca -0.04 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 56.83 2k5i s SER 20 Cb -0.03 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.38 2k5i s SER 20 CO 0.04 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.91 2k5i n GLY 21 N 1.30 1.00 0.00 3.44 0.00 -1.26 -4.66 105.19 105.00 2k5i n GLY 21 Ca -0.22 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 0.00 0.00 0.15 1.61 1.02 -1.26 -4.32 120.64 117.84 2k5i n GLU 22 Ca 0.00 0.40 0.03 0.00 -0.02 0.00 0.00 57.16 57.58 2k5i n GLU 22 Cb 0.00 -0.93 0.43 0.00 -0.02 0.00 0.00 31.44 30.92 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 0.16 -0.52 -4.62 5.85 -1.97 -3.12 115.31 111.08 2k5i h LEU 23 Ca 0.00 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.77 2k5i h LEU 23 Cb 0.00 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 40.92 2k5i h LEU 23 CO 0.00 0.31 0.16 -0.74 -0.34 0.00 0.00 178.44 177.83 2k5i h HIS 24 N 0.16 0.27 -0.06 1.25 2.76 -1.83 -0.43 115.15 117.28 2k5i h HIS 24 Ca 0.03 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.15 2k5i h HIS 24 Cb 0.33 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 2k5i h HIS 24 CO 0.00 0.06 -0.35 1.05 -1.30 0.00 0.00 177.93 177.39 2k5i h GLU 25 N 0.32 0.12 -0.06 5.26 -0.00 -1.73 -2.37 114.58 116.11 2k5i h GLU 25 Ca 0.26 -0.05 -0.01 0.00 -0.00 0.00 0.00 59.36 59.56 2k5i h GLU 25 Cb 0.32 -0.01 -0.00 0.00 -0.00 0.00 0.00 28.75 29.06 2k5i h GLU 25 CO -0.29 0.46 -0.02 -0.22 -0.00 0.00 0.00 179.01 178.94 2k5i h LYS 26 N 0.10 0.12 0.34 1.06 3.64 -1.36 -1.91 116.57 118.56 2k5i h LYS 26 Ca 0.01 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2k5i h LYS 26 Cb 0.67 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 2k5i h LYS 26 CO 0.05 0.46 -0.27 -0.07 -2.27 0.00 0.00 179.45 177.35 2k5i h LEU 27 N -0.23 -0.70 -1.60 5.20 3.38 -0.96 -0.05 115.31 120.35 2k5i h LEU 27 Ca 0.02 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2k5i h LEU 27 Cb 0.42 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2k5i h LEU 27 CO 0.01 -0.40 0.16 -0.37 0.09 0.00 0.00 178.44 177.93 2k5i h VAL 28 N -0.61 1.11 -0.17 1.22 -1.51 -1.51 -0.06 116.25 114.71 2k5i h VAL 28 Ca -0.03 -0.28 -0.07 0.00 -1.23 0.00 0.00 66.70 65.09 2k5i h VAL 28 Cb 0.53 0.69 -0.01 0.00 -2.13 0.00 0.00 31.29 30.37 2k5i h VAL 28 CO -0.01 0.12 -0.22 1.23 -1.23 0.00 0.00 177.57 177.45 2k5i h GLY 29 N 0.52 0.32 1.66 5.19 0.00 -0.80 -2.65 103.07 107.31 2k5i h GLY 29 Ca 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2k5i h GLY 29 CO -0.02 0.22 -0.21 1.03 0.00 0.00 0.00 176.54 177.56 2k5i n MET 30 N -4.17 0.15 0.00 4.80 2.81 -0.08 -4.92 117.12 115.70 2k5i n MET 30 Ca -0.01 0.09 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 2k5i n MET 30 Cb 0.35 -1.64 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 2k5i n MET 30 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k5i n GLY 31 N 1.40 1.25 3.55 3.03 0.00 -0.59 -4.99 105.19 108.85 2k5i n GLY 31 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.25 1.69 0.01 1.61 0.40 -0.16 -4.92 117.98 115.37 2k5i s PHE 32 Ca 0.00 0.76 0.03 0.00 -0.60 0.00 0.00 56.93 57.12 2k5i s PHE 32 Cb 0.00 -4.06 -0.01 0.00 0.51 0.00 0.00 43.02 39.45 2k5i s PHE 32 CO 0.00 -2.14 -0.09 0.14 0.70 0.00 0.00 175.22 173.83 2k5i s VAL 33 N 9.47 0.69 -0.28 -0.44 -7.23 -1.26 -3.71 120.40 117.64 2k5i s VAL 33 Ca 0.69 -0.63 -0.29 0.00 -1.81 0.00 0.00 61.98 59.94 2k5i s VAL 33 Cb -0.11 -0.63 -0.06 0.00 0.56 0.00 0.00 36.38 36.14 2k5i s VAL 33 CO 0.14 0.01 2.26 -0.81 -0.31 0.00 0.00 175.10 176.39 2k5i n PRO 34 N 2.37 1.70 0.00 4.82 -0.04 -1.26 -2.57 135.00 140.02 2k5i n PRO 34 Ca -0.16 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 2k5i n PRO 34 Cb 0.56 -3.16 0.00 0.00 -0.04 0.00 0.00 33.50 30.86 2k5i n PRO 34 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k5i n GLY 35 N 5.92 1.26 3.77 0.55 0.00 -0.48 -5.02 105.19 111.19 2k5i n GLY 35 Ca 0.33 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.95 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 4.40 0.24 1.61 0.41 -1.06 -4.71 118.70 119.59 2k5i s GLU 36 Ca 0.00 1.94 -0.29 0.00 -0.41 0.00 0.00 54.97 56.21 2k5i s GLU 36 Cb 0.00 -3.01 -0.09 0.00 -1.78 0.00 0.00 34.13 29.25 2k5i s GLU 36 CO 0.00 -0.05 0.92 -1.21 -0.49 0.00 0.00 175.26 174.43 2k5i s GLU 37 N -1.79 4.78 -0.00 1.61 8.01 -1.26 -0.35 118.70 129.69 2k5i s GLU 37 Ca 0.49 1.42 -0.02 0.00 0.01 0.00 0.00 54.97 56.87 2k5i s GLU 37 Cb -0.34 -3.20 -0.00 0.00 -4.31 0.00 0.00 34.13 26.27 2k5i s GLU 37 CO 0.44 0.49 0.04 -1.50 0.01 0.00 0.00 175.26 174.74 2k5i s ILE 38 N -1.24 0.04 -0.02 -1.63 2.07 0.52 -2.54 121.20 118.41 2k5i s ILE 38 Ca 0.42 -0.37 0.01 0.00 -1.41 0.00 0.00 60.65 59.30 2k5i s ILE 38 Cb -0.24 -0.18 0.01 0.00 0.13 0.00 0.00 42.46 42.17 2k5i s ILE 38 CO 0.30 -0.20 -0.04 -1.83 -1.91 0.00 0.00 174.94 171.26 2k5i s GLU 39 N -0.61 0.45 -0.07 3.50 -1.05 -0.78 -0.78 118.70 119.36 2k5i s GLU 39 Ca -0.07 -0.11 -0.29 0.00 -0.15 0.00 0.00 54.97 54.35 2k5i s GLU 39 Cb -0.04 -0.48 -0.02 0.00 -0.44 0.00 0.00 34.13 33.15 2k5i s GLU 39 CO -0.00 0.03 0.96 0.42 0.95 0.00 0.00 175.26 177.62 2k5i s ILE 40 N 0.28 4.84 -0.17 1.83 -1.09 -1.26 -0.16 121.20 125.48 2k5i s ILE 40 Ca -0.03 1.98 -0.16 0.00 -2.23 0.00 0.00 60.65 60.21 2k5i s ILE 40 Cb -0.06 -4.29 -0.13 0.00 -1.58 0.00 0.00 42.46 36.40 2k5i s ILE 40 CO -0.00 0.07 0.13 0.58 -1.23 0.00 0.00 174.94 174.49 2k5i h VAL 41 N 4.98 0.63 -3.10 2.92 2.07 -0.96 0.12 116.25 122.92 2k5i h VAL 41 Ca -0.35 -1.70 -0.02 0.00 0.82 0.00 0.00 66.70 65.46 2k5i h VAL 41 Cb 1.17 1.42 -0.12 0.00 -1.52 0.00 0.00 31.29 32.25 2k5i h VAL 41 CO 0.81 0.21 0.15 0.00 0.02 0.00 0.00 177.57 178.76 2k5i s GLN 42 N -2.22 1.29 -0.13 1.57 -2.07 -1.24 -4.62 119.66 112.24 2k5i s GLN 42 Ca -0.20 -0.58 0.03 0.00 -1.82 0.00 0.00 55.36 52.78 2k5i s GLN 42 Cb 0.03 0.56 0.01 0.00 -1.09 0.00 0.00 33.01 32.52 2k5i s GLN 42 CO 0.42 -0.56 -0.22 0.08 -1.32 0.00 0.00 175.29 173.70 2k5i s VAL 43 N -3.78 2.14 0.47 3.63 1.01 -1.26 -1.22 120.40 121.38 2k5i s VAL 43 Ca 0.03 -0.96 -0.24 0.00 0.00 0.00 0.00 61.98 60.80 2k5i s VAL 43 Cb -0.01 -1.85 -0.07 0.00 0.00 0.00 0.00 36.38 34.45 2k5i s VAL 43 CO -0.11 0.55 1.39 0.00 0.00 0.00 0.00 175.10 176.93 2k5i s ALA 44 N 0.70 3.14 0.03 5.51 0.00 -0.78 -4.88 121.76 125.48 2k5i s ALA 44 Ca -0.10 1.39 0.22 0.00 0.00 0.00 0.00 51.96 53.47 2k5i s ALA 44 Cb -0.16 -3.56 1.19 0.00 0.00 0.00 0.00 23.12 20.59 2k5i s ALA 44 CO 0.01 -1.17 1.64 -1.00 0.00 0.00 0.00 175.76 175.24 2k5i h PRO 45 N 2.17 0.00 -0.10 0.00 0.13 -1.91 0.71 132.00 132.99 2k5i h PRO 45 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2k5i h PRO 45 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2k5i h PRO 45 CO 0.60 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.65 2k5i n LEU 46 N -2.33 0.87 0.00 1.56 4.32 -1.26 -4.88 117.00 115.28 2k5i n LEU 46 Ca -0.01 -0.37 0.00 0.00 -0.02 0.00 0.00 56.01 55.60 2k5i n LEU 46 Cb 0.16 -0.06 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 2k5i n LEU 46 CO 0.10 0.19 0.00 0.61 -1.22 0.00 0.00 177.39 177.06 2k5i n GLY 47 N 0.94 2.82 3.55 -0.72 0.00 0.24 -4.95 105.19 107.07 2k5i n GLY 47 Ca 0.14 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 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 0.64 -0.32 0.79 1.61 -4.77 -1.24 -4.69 116.67 108.69 2k5i s ASP 48 Ca 0.00 -0.40 -0.11 0.00 -3.30 0.00 0.00 52.55 48.73 2k5i s ASP 48 Cb 0.00 0.61 0.06 0.00 -1.09 0.00 0.00 42.92 42.50 2k5i s ASP 48 CO 0.00 -1.08 1.10 -2.16 0.70 0.00 0.00 175.17 173.73 2k5i s PRO 49 N -3.86 2.16 -0.15 2.11 0.04 -1.26 -4.68 135.00 129.35 2k5i s PRO 49 Ca 0.08 0.62 -0.05 0.00 0.04 0.00 0.00 61.00 61.68 2k5i s PRO 49 Cb -0.02 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 2k5i s PRO 49 CO -0.03 -1.56 0.03 0.96 0.04 0.00 0.00 177.00 176.43 2k5i s ILE 50 N -3.18 4.52 -0.12 0.56 -0.00 0.53 -1.87 121.20 121.63 2k5i s ILE 50 Ca 0.61 -0.14 -0.19 0.00 -0.00 0.00 0.00 60.65 60.92 2k5i s ILE 50 Cb -0.14 -2.99 -0.04 0.00 -0.00 0.00 0.00 42.46 39.29 2k5i s ILE 50 CO 0.54 0.50 0.52 -0.69 -0.00 0.00 0.00 174.94 175.81 2k5i s VAL 51 N 0.07 5.15 -0.03 8.37 1.01 -0.36 -1.06 120.40 133.55 2k5i s VAL 51 Ca 0.04 1.04 -0.00 0.00 0.00 0.00 0.00 61.98 63.05 2k5i s VAL 51 Cb -0.13 -3.86 0.03 0.00 0.00 0.00 0.00 36.38 32.43 2k5i s VAL 51 CO 0.01 0.29 0.05 0.00 0.00 0.00 0.00 175.10 175.45 2k5i s LYS 53 N 1.11 4.04 -0.54 0.00 1.02 0.78 -0.25 119.74 125.90 2k5i s LYS 53 Ca -0.09 0.54 -0.18 0.00 0.02 0.00 0.00 55.97 56.26 2k5i s LYS 53 Cb -0.13 -3.68 0.09 0.00 -0.52 0.00 0.00 37.83 33.59 2k5i s LYS 53 CO -0.03 -0.51 0.60 0.42 -0.92 0.00 0.00 175.35 174.91 2k5i s ILE 54 N 2.65 4.96 0.00 2.17 1.01 0.14 -1.86 121.20 130.26 2k5i s ILE 54 Ca 0.28 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 60.02 2k5i s ILE 54 Cb -0.15 -4.35 0.00 0.00 0.01 0.00 0.00 42.46 37.97 2k5i s ILE 54 CO 0.10 -0.90 0.00 0.61 0.00 0.00 0.00 174.94 174.75 2k5i n GLY 55 N 5.23 0.28 0.31 6.18 0.00 -1.05 -1.10 105.19 115.04 2k5i n GLY 55 Ca -0.10 0.67 0.06 0.00 0.00 0.00 0.00 46.02 46.64 2k5i n GLY 55 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k5i n ASN 56 N 6.78 2.63 -3.85 1.61 3.02 -1.26 -4.99 115.26 119.20 2k5i n ASN 56 Ca 0.00 -2.49 -0.17 0.00 -0.03 0.00 0.00 54.58 51.89 2k5i n ASN 56 Cb 0.00 -0.27 -0.16 0.00 -0.61 0.00 0.00 39.78 38.74 2k5i n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k5i s ARG 57 N -1.87 0.33 -0.04 3.52 1.70 -0.26 -5.14 118.95 117.20 2k5i s ARG 57 Ca 0.21 0.02 -0.19 0.00 -0.47 0.00 0.00 55.73 55.31 2k5i s ARG 57 Cb 0.17 -0.46 -0.05 0.00 -0.57 0.00 0.00 34.95 34.03 2k5i s ARG 57 CO 0.06 -0.09 0.54 1.21 -1.08 0.00 0.00 175.30 175.93 2k5i s ASN 58 N 0.79 6.87 -0.04 -2.89 3.84 -1.26 0.23 114.94 122.48 2k5i s ASN 58 Ca -0.08 1.04 0.04 0.00 0.21 0.00 0.00 52.86 54.07 2k5i s ASN 58 Cb -0.11 -2.33 -0.00 0.00 -0.55 0.00 0.00 41.25 38.26 2k5i s ASN 58 CO -0.01 0.10 -0.16 -0.63 -2.79 0.00 0.00 177.10 173.61 2k5i s ILE 59 N -0.09 1.33 -0.38 -5.21 -1.09 0.65 -4.92 121.20 111.49 2k5i s ILE 59 Ca 0.29 -0.67 -0.14 0.00 -2.23 0.00 0.00 60.65 57.90 2k5i s ILE 59 Cb -0.17 -1.14 0.01 0.00 -1.58 0.00 0.00 42.46 39.57 2k5i s ILE 59 CO 0.15 0.38 0.26 -0.89 -1.23 0.00 0.00 174.94 173.62 2k5i s THR 60 N -0.01 5.18 -0.22 2.92 2.01 -1.26 -0.81 115.64 123.45 2k5i s THR 60 Ca -0.02 -0.51 -0.10 0.00 0.31 0.00 0.00 61.69 61.37 2k5i s THR 60 Cb -0.10 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.56 2k5i s THR 60 CO 0.01 -0.18 0.14 -0.76 -0.69 0.00 0.00 174.62 173.15 2k5i s LEU 61 N 1.68 4.15 0.51 4.42 1.43 -0.23 -4.95 118.68 125.69 2k5i s LEU 61 Ca 0.05 0.16 -0.20 0.00 -1.03 0.00 0.00 54.13 53.12 2k5i s LEU 61 Cb -0.18 -2.09 -0.08 0.00 0.03 0.00 0.00 46.19 43.87 2k5i s LEU 61 CO 0.10 0.12 1.06 -0.13 0.23 0.00 0.00 176.35 177.72 2k5i s ARG 62 N 0.73 3.67 0.45 1.70 1.81 -1.26 -0.35 118.95 125.70 2k5i s ARG 62 Ca 0.08 1.40 0.11 0.00 -1.72 0.00 0.00 55.73 55.59 2k5i s ARG 62 Cb -0.12 -2.07 1.02 0.00 -0.45 0.00 0.00 34.95 33.33 2k5i s ARG 62 CO 0.01 -0.55 2.09 -0.22 -0.68 0.00 0.00 175.30 175.96 2k5i h LYS 63 N 1.39 0.33 -0.39 3.54 3.64 -1.93 0.15 116.57 123.30 2k5i h LYS 63 Ca -0.49 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 58.81 2k5i h LYS 63 Cb 1.23 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.95 2k5i h LYS 63 CO 0.58 0.22 -0.01 0.07 -2.27 0.00 0.00 179.45 178.04 2k5i h ARG 64 N 0.34 0.63 0.05 1.90 0.11 -2.01 -2.59 114.38 112.81 2k5i h ARG 64 Ca 0.10 -0.15 -0.00 0.00 0.10 0.00 0.00 59.98 60.02 2k5i h ARG 64 Cb -0.02 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 30.98 2k5i h ARG 64 CO -0.02 0.66 -0.02 0.93 0.10 0.00 0.00 179.97 181.61 2k5i h GLU 65 N 0.60 -0.07 -0.15 0.08 4.39 -1.30 -3.33 114.58 114.79 2k5i h GLU 65 Ca 0.12 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.87 2k5i h GLU 65 Cb 0.39 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 2k5i h GLU 65 CO 0.01 0.48 0.23 0.00 -1.16 0.00 0.00 179.01 178.57 2k5i h ALA 66 N -0.35 1.65 -0.95 3.43 0.00 -0.85 -2.11 119.26 120.07 2k5i h ALA 66 Ca -0.01 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2k5i h ALA 66 Cb 0.57 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 2k5i h ALA 66 CO 0.01 -0.30 0.62 0.22 0.00 0.00 0.00 179.25 179.80 2k5i h ASP 67 N 0.00 1.06 -0.19 0.00 1.82 -1.57 -3.03 116.42 114.50 2k5i h ASP 67 Ca 0.07 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 2k5i h ASP 67 Cb 0.52 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.28 2k5i h ASP 67 CO -0.00 0.74 0.00 0.18 -1.61 0.00 0.00 179.24 178.55 2k5i n LEU 68 N -4.46 2.30 -4.10 2.28 4.77 -0.79 -4.76 117.00 112.24 2k5i n LEU 68 Ca 0.12 -1.16 -0.22 0.00 -0.03 0.00 0.00 56.01 54.72 2k5i n LEU 68 Cb 0.06 -0.49 -0.15 0.00 -2.33 0.00 0.00 43.42 40.51 2k5i n LEU 68 CO 0.35 0.36 -0.47 -0.63 -1.33 0.00 0.00 177.39 175.67 2k5i s ILE 69 N -1.58 1.08 -0.02 -0.08 1.09 -1.14 -0.36 121.20 120.18 2k5i s ILE 69 Ca 0.17 -0.59 0.03 0.00 -1.10 0.00 0.00 60.65 59.16 2k5i s ILE 69 Cb 0.12 -0.90 -0.03 0.00 -1.06 0.00 0.00 42.46 40.59 2k5i s ILE 69 CO 0.06 0.31 -0.08 -0.70 -0.10 0.00 0.00 174.94 174.42 2k5i s GLU 70 N -0.33 2.58 0.32 2.79 2.12 -0.19 -3.43 118.70 122.56 2k5i s GLU 70 Ca 0.05 -0.68 0.04 0.00 0.36 0.00 0.00 54.97 54.74 2k5i s GLU 70 Cb -0.05 -2.50 -0.06 0.00 0.26 0.00 0.00 34.13 31.78 2k5i s GLU 70 CO -0.01 0.62 0.05 0.14 -0.54 0.00 0.00 175.26 175.53 2k5i s VAL 71 N -0.91 1.22 -0.03 3.70 -7.23 0.22 0.16 120.40 117.54 2k5i s VAL 71 Ca 0.15 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.33 2k5i s VAL 71 Cb -0.11 -2.79 0.02 0.00 0.56 0.00 0.00 36.38 34.06 2k5i s VAL 71 CO 0.05 -0.01 -0.04 -0.70 -0.31 0.00 0.00 175.10 174.08 2k5i s GLU 72 N -3.88 0.65 0.09 4.82 2.56 0.33 0.44 118.70 123.70 2k5i s GLU 72 Ca 0.36 -0.10 -0.31 0.00 0.00 0.00 0.00 54.97 54.92 2k5i s GLU 72 Cb 0.09 -0.68 -0.08 0.00 2.00 0.00 0.00 34.13 35.46 2k5i s GLU 72 CO 0.15 -0.03 1.58 0.08 -0.56 0.00 0.00 175.26 176.48 2k5i s VAL 73 N 0.65 3.04 -0.61 3.70 1.01 -1.26 -0.67 120.40 126.25 2k5i s VAL 73 Ca -0.08 0.58 -0.05 0.00 0.00 0.00 0.00 61.98 62.43 2k5i s VAL 73 Cb -0.11 -3.37 0.16 0.00 0.00 0.00 0.00 36.38 33.05 2k5i s VAL 73 CO -0.00 0.01 0.45 -0.69 0.00 0.00 0.00 175.10 174.88 2k5i s VAL 74 N 2.14 4.04 0.00 2.92 1.01 -0.22 -4.93 120.40 125.35 2k5i s VAL 74 Ca 0.71 -2.62 0.00 0.00 0.00 0.00 0.00 61.98 60.07 2k5i s VAL 74 Cb -0.39 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.36 2k5i s VAL 74 CO 0.31 -0.87 0.00 0.61 0.00 0.00 0.00 175.10 175.15 2k5i n GLY 75 N 3.88 1.00 0.04 4.51 0.00 -1.26 -4.70 105.19 108.65 2k5i n GLY 75 Ca 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 2k5i n GLY 75 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k5i h GLY 76 N 0.00 0.00 -1.96 -0.02 0.00 -1.99 -3.50 103.07 95.60 2k5i h GLY 76 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.90 2k5i h GLY 76 CO 0.00 0.00 -0.55 -1.83 0.00 0.00 0.00 176.54 174.16 2k5i s GLU 77 N -1.47 1.63 -0.00 4.80 1.03 -1.26 -4.83 118.70 118.60 2k5i s GLU 77 Ca -0.02 -1.93 -0.02 0.00 0.03 0.00 0.00 54.97 53.03 2k5i s GLU 77 Cb 0.00 -0.16 -0.00 0.00 -0.80 0.00 0.00 34.13 33.17 2k5i s GLU 77 CO 0.03 -0.45 0.03 -0.48 -1.33 0.00 0.00 175.26 173.06 2k5i s LEU 78 N -3.40 1.95 0.85 1.83 2.34 -0.48 -4.92 118.68 116.85 2k5i s LEU 78 Ca 0.35 -0.14 -0.10 0.00 0.06 0.00 0.00 54.13 54.30 2k5i s LEU 78 Cb 0.05 0.18 0.10 0.00 -0.56 0.00 0.00 46.19 45.96 2k5i s LEU 78 CO 0.17 -0.14 1.12 -2.16 -1.06 0.00 0.00 176.35 174.28 2k5i s PRO 79 N -0.61 1.60 0.52 1.48 0.04 -1.26 -0.94 135.00 135.83 2k5i s PRO 79 Ca -0.07 1.36 0.22 0.00 0.04 0.00 0.00 61.00 62.56 2k5i s PRO 79 Cb -0.04 -1.81 1.33 0.00 0.04 0.00 0.00 34.50 34.02 2k5i s PRO 79 CO -0.00 -2.16 2.03 -0.07 0.04 0.00 0.00 177.00 176.84 2k5i h LEU 80 N -1.52 0.03 -2.17 -3.56 3.38 0.43 0.20 115.31 112.10 2k5i h LEU 80 Ca -0.43 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 2k5i h LEU 80 Cb 1.25 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 2k5i h LEU 80 CO 0.46 0.02 -0.04 -0.29 0.09 0.00 0.00 178.44 178.68 2k5i h ILE 81 N 0.03 0.71 -0.02 1.22 6.09 -1.55 -1.40 117.51 122.59 2k5i h ILE 81 Ca 0.19 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.51 2k5i h ILE 81 Cb 0.71 1.10 0.00 0.00 0.47 0.00 0.00 36.82 39.10 2k5i h ILE 81 CO -0.01 0.04 -0.38 0.18 -3.07 0.00 0.00 178.15 174.91 2k5i n LEU 82 N -4.03 2.21 -4.58 2.19 4.77 0.67 -4.94 117.00 113.29 2k5i n LEU 82 Ca -0.03 -0.80 -0.41 0.00 -0.03 0.00 0.00 56.01 54.74 2k5i n LEU 82 Cb 0.13 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 2k5i n LEU 82 CO 0.30 0.40 1.49 0.00 -1.33 0.00 0.00 177.39 178.26 2k5i s ALA 83 N -2.39 2.61 0.90 -1.18 0.00 -0.53 -4.97 121.76 116.21 2k5i s ALA 83 Ca 0.20 -0.25 -0.11 0.00 0.00 0.00 0.00 51.96 51.80 2k5i s ALA 83 Cb 0.18 -4.13 0.13 0.00 0.00 0.00 0.00 23.12 19.31 2k5i s ALA 83 CO 0.52 -3.12 1.09 0.34 0.00 0.00 0.00 175.76 174.59 2k5i s ASP 84 N 6.41 3.39 -0.02 0.00 2.15 -1.26 -4.83 116.67 122.51 2k5i s ASP 84 Ca 0.69 1.57 -0.38 0.00 0.43 0.00 0.00 52.55 54.86 2k5i s ASP 84 Cb -0.16 -2.24 -0.16 0.00 -0.30 0.00 0.00 42.92 40.06 2k5i s ASP 84 CO 0.28 -2.70 1.46 0.47 -0.17 0.00 0.00 175.17 174.50 2k5i n ASP 85 N -3.93 1.86 0.00 -0.34 9.92 -1.26 -4.81 116.55 117.98 2k5i n ASP 85 Ca 0.07 1.11 0.00 0.00 -0.53 0.00 0.00 54.79 55.44 2k5i n ASP 85 Cb 0.55 -1.17 0.00 0.00 -0.64 0.00 0.00 41.12 39.85 2k5i n ASP 85 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k5i n GLY 86 N 3.01 0.58 3.80 0.44 0.00 -0.32 -4.99 105.19 107.72 2k5i n GLY 86 Ca 0.21 -1.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.02 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 5.27 0.45 2.61 2.01 -1.26 -0.79 115.64 122.29 2k5i s THR 87 Ca 0.00 0.55 0.03 0.00 0.31 0.00 0.00 61.69 62.58 2k5i s THR 87 Cb 0.00 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 68.90 2k5i s THR 87 CO 0.00 0.51 0.11 -0.31 -0.69 0.00 0.00 174.62 174.25 2k5i s TYR 88 N -0.42 1.77 -0.07 4.92 1.51 -0.38 -1.72 117.35 122.96 2k5i s TYR 88 Ca 0.18 -1.27 -0.00 0.00 -1.01 0.00 0.00 57.07 54.97 2k5i s TYR 88 Cb -0.14 -1.24 0.02 0.00 -0.11 0.00 0.00 41.96 40.50 2k5i s TYR 88 CO 0.07 -0.24 -0.03 -2.00 -1.11 0.00 0.00 175.55 172.24 2k5i s GLU 89 N -3.71 0.85 -0.00 -0.62 2.12 0.77 -0.34 118.70 117.77 2k5i s GLU 89 Ca 0.17 -0.03 -0.30 0.00 0.36 0.00 0.00 54.97 55.17 2k5i s GLU 89 Cb 0.01 -1.03 -0.05 0.00 0.26 0.00 0.00 34.13 33.32 2k5i s GLU 89 CO 0.12 -0.21 1.29 -1.50 -0.54 0.00 0.00 175.26 174.41 2k5i s ILE 90 N 1.54 3.94 -0.11 -3.70 2.07 -0.67 -0.17 121.20 124.10 2k5i s ILE 90 Ca -0.01 1.33 0.02 0.00 -1.41 0.00 0.00 60.65 60.58 2k5i s ILE 90 Cb -0.13 -3.85 -0.08 0.00 0.13 0.00 0.00 42.46 38.52 2k5i s ILE 90 CO -0.04 0.03 -0.08 1.07 -1.91 0.00 0.00 174.94 174.01 2k5i n THR 91 N 4.45 0.66 -3.73 4.00 5.66 -0.58 -0.47 114.28 124.28 2k5i n THR 91 Ca 0.11 -0.28 -0.14 0.00 -3.05 0.00 0.00 64.05 60.70 2k5i n THR 91 Cb 0.45 -0.89 -0.09 0.00 -1.55 0.00 0.00 70.33 68.25 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 -2.23 0.61 -0.04 1.09 -2.85 -1.21 -4.86 119.74 110.25 2k5i s LYS 92 Ca -0.14 0.22 0.00 0.00 -1.00 0.00 0.00 55.97 55.05 2k5i s LYS 92 Cb 0.04 0.28 -0.03 0.00 -2.06 0.00 0.00 37.83 36.06 2k5i s LYS 92 CO 0.29 -0.13 -0.01 -0.51 0.10 0.00 0.00 175.35 175.08 2k5i s LEU 93 N -0.56 3.46 -0.40 2.77 2.01 -1.26 -1.78 118.68 122.92 2k5i s LEU 93 Ca -0.07 0.04 -0.07 0.00 0.01 0.00 0.00 54.13 54.04 2k5i s LEU 93 Cb -0.04 -1.87 0.08 0.00 0.01 0.00 0.00 46.19 44.37 2k5i s LEU 93 CO 0.03 0.33 0.21 0.20 1.01 0.00 0.00 176.35 178.13 2k5i s ASN 94 N -1.17 5.47 0.00 2.29 0.02 0.26 -5.02 114.94 116.79 2k5i s ASN 94 Ca 0.16 -1.54 0.00 0.00 -1.02 0.00 0.00 52.86 50.46 2k5i s ASN 94 Cb -0.11 -1.92 0.00 0.00 0.02 0.00 0.00 41.25 39.24 2k5i s ASN 94 CO 0.06 -0.49 0.00 0.61 0.02 0.00 0.00 177.10 177.29 2k5i n GLY 95 N 4.82 -1.80 1.20 0.66 0.00 -1.26 -4.78 105.19 104.03 2k5i n GLY 95 Ca -0.09 -1.23 -0.07 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.27 0.80 0.25 -0.02 0.00 -1.26 -4.88 105.19 99.81 2k5i n GLY 96 Ca 0.00 -1.99 -0.09 0.00 0.00 0.00 0.00 46.02 43.94 2k5i n GLY 96 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2k5i h ARG 97 N 0.00 0.83 -0.76 1.61 2.47 -2.02 -0.89 114.38 115.62 2k5i h ARG 97 Ca -0.10 -0.23 -0.03 0.00 -1.26 0.00 0.00 59.98 58.36 2k5i h ARG 97 Cb 0.38 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.57 2k5i h ARG 97 CO 0.11 0.84 0.38 -0.09 0.56 0.00 0.00 179.97 181.77 2k5i h ARG 98 N 0.70 1.10 -0.06 0.04 2.43 -1.99 -0.45 114.38 116.14 2k5i h ARG 98 Ca 0.15 -0.16 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 2k5i h ARG 98 Cb 0.43 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 2k5i h ARG 98 CO 0.01 0.85 -0.13 0.35 -1.51 0.00 0.00 179.97 179.54 2k5i h PHE 99 N 1.07 -0.32 -0.24 2.20 3.57 -1.87 -2.02 116.94 119.33 2k5i h PHE 99 Ca 0.26 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.83 2k5i h PHE 99 Cb 0.10 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 2k5i h PHE 99 CO 0.01 -0.19 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.78 2k5i h LEU 100 N -0.19 -0.19 -0.29 0.59 3.38 -0.70 -2.61 115.31 115.31 2k5i h LEU 100 Ca 0.06 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.14 2k5i h LEU 100 Cb 0.28 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2k5i h LEU 100 CO -0.17 -0.06 0.08 0.15 0.09 0.00 0.00 178.44 178.53 2k5i h PHE 101 N 0.02 0.15 -0.07 1.13 3.57 -0.96 -0.19 116.94 120.59 2k5i h PHE 101 Ca 0.12 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.65 2k5i h PHE 101 Cb 0.17 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.83 2k5i h PHE 101 CO -0.23 0.06 -0.47 0.00 -2.23 0.00 0.00 178.31 175.44 2k5i h ARG 102 N 0.20 -0.52 -0.25 1.11 2.47 -1.14 -1.81 114.38 114.45 2k5i h ARG 102 Ca 0.13 0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.88 2k5i h ARG 102 Cb 0.12 0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 2k5i h ARG 102 CO -0.15 -0.34 0.11 0.52 0.56 0.00 0.00 179.97 180.67 2k5i h MET 103 N -0.54 0.34 -0.60 0.04 2.86 -1.25 -2.03 114.93 113.76 2k5i h MET 103 Ca 0.02 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 2k5i h MET 103 Cb 0.60 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.16 2k5i h MET 103 CO -0.35 0.28 0.15 0.87 1.06 0.00 0.00 176.91 178.92 2k5i h LYS 104 N 0.35 0.93 0.00 1.72 1.57 -0.51 -0.16 116.57 120.47 2k5i h LYS 104 Ca 0.09 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 2k5i h LYS 104 Cb 0.05 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 2k5i h LYS 104 CO -0.01 0.83 -0.04 -0.91 -0.57 0.00 0.00 179.45 178.75 2k5i h ASN 105 N 0.89 0.00 0.60 0.86 2.35 -0.58 -1.44 115.58 118.27 2k5i h ASN 105 Ca 0.19 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.67 2k5i h ASN 105 Cb 0.32 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 2k5i h ASN 105 CO -0.00 0.04 -1.44 -0.07 -1.65 0.00 0.00 177.43 174.31 2k5i h LEU 106 N 0.00 0.19 0.00 1.61 -0.00 -1.25 -3.49 115.31 112.37 2k5i h LEU 106 Ca -0.00 -0.27 0.00 0.00 -0.00 0.00 0.00 57.88 57.60 2k5i h LEU 106 Cb 0.11 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.71 2k5i h LEU 106 CO 0.01 1.23 0.00 0.61 -0.00 0.00 0.00 178.44 180.28 2k5i n GLY 107 N 1.56 1.78 3.56 0.83 0.00 -0.17 -4.78 105.19 107.97 2k5i n GLY 107 Ca -0.12 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.29 3.57 0.00 -0.61 -4.36 -1.01 -4.56 121.20 113.94 2k5i s ILE 108 Ca 0.00 -0.30 0.00 0.00 -0.26 0.00 0.00 60.65 60.09 2k5i s ILE 108 Cb 0.00 -4.32 0.00 0.00 1.25 0.00 0.00 42.46 39.39 2k5i s ILE 108 CO 0.00 -1.25 0.00 -1.84 0.24 0.00 0.00 174.94 172.09 2k5i n GLU 109 N 8.96 0.00 -3.64 0.37 0.28 -1.26 -4.02 120.64 121.34 2k5i n GLU 109 Ca 0.32 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 57.27 2k5i n GLU 109 Cb 0.49 -0.70 -0.06 0.00 1.43 0.00 0.00 31.44 32.60 2k5i n GLU 109 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2k5i s SER 110 N -4.50 -0.19 -2.02 -1.84 1.04 -1.26 -4.78 113.70 100.15 2k5i s SER 110 Ca 0.00 0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.75 2k5i s SER 110 Cb 0.00 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2k5i s SER 110 CO 0.00 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.73 2k5i n GLY 111 N 1.43 1.82 3.78 7.32 0.00 0.38 -4.95 105.19 114.97 2k5i n GLY 111 Ca -0.09 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.61 4.12 -0.36 1.61 -0.14 -1.26 -4.87 119.74 115.23 2k5i s LYS 112 Ca 0.00 0.38 -0.29 0.00 -1.36 0.00 0.00 55.97 54.70 2k5i s LYS 112 Cb 0.00 -3.33 0.01 0.00 -1.68 0.00 0.00 37.83 32.83 2k5i s LYS 112 CO 0.00 0.43 1.37 0.15 -0.76 0.00 0.00 175.35 176.55 2k5i s LYS 113 N -0.24 3.71 -0.35 1.68 3.01 -1.26 -1.67 119.74 124.63 2k5i s LYS 113 Ca 0.23 1.08 -0.12 0.00 -1.01 0.00 0.00 55.97 56.15 2k5i s LYS 113 Cb -0.16 -3.97 -0.01 0.00 -1.01 0.00 0.00 37.83 32.69 2k5i s LYS 113 CO 0.11 -1.38 0.23 -1.50 0.51 0.00 0.00 175.35 173.31 2k5i s ILE 114 N 5.01 5.07 -0.47 2.17 1.10 0.54 -4.42 121.20 130.19 2k5i s ILE 114 Ca 0.60 -0.38 -0.29 0.00 -0.51 0.00 0.00 60.65 60.07 2k5i s ILE 114 Cb -0.15 -3.65 0.02 0.00 0.15 0.00 0.00 42.46 38.83 2k5i s ILE 114 CO 0.29 -0.05 1.36 -1.10 -2.11 0.00 0.00 174.94 173.32 2k5i s GLN 115 N 1.68 3.51 -0.48 3.50 1.11 0.76 -1.25 119.66 128.50 2k5i s GLN 115 Ca 0.05 0.70 -0.16 0.00 0.01 0.00 0.00 55.36 55.97 2k5i s GLN 115 Cb -0.18 -4.03 0.08 0.00 -1.01 0.00 0.00 33.01 27.86 2k5i s GLN 115 CO 0.09 -1.65 0.42 0.08 0.01 0.00 0.00 175.29 174.24 2k5i s VAL 116 N 5.45 5.20 -1.12 1.09 1.01 0.03 -0.43 120.40 131.63 2k5i s VAL 116 Ca 0.56 -1.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.39 2k5i s VAL 116 Cb -0.11 -4.16 0.24 0.00 0.00 0.00 0.00 36.38 32.35 2k5i s VAL 116 CO 0.30 -0.62 1.19 -0.44 0.00 0.00 0.00 175.10 175.53 2k5i s SER 117 N 2.68 7.22 0.00 3.32 0.01 0.48 -1.17 113.70 126.24 2k5i s SER 117 Ca 0.05 -3.37 0.00 0.00 1.31 0.00 0.00 55.95 53.94 2k5i s SER 117 Cb -0.24 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2k5i s SER 117 CO 0.07 -0.44 0.00 0.61 0.41 0.00 0.00 173.24 173.89 2k5i n GLY 118 N 3.19 0.21 0.09 3.44 0.00 -1.26 -1.51 105.19 109.34 2k5i n GLY 118 Ca 0.27 0.53 -0.08 0.00 0.00 0.00 0.00 46.02 46.74 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 0.66 -4.38 1.61 5.12 -1.26 -4.85 116.66 113.55 2k5i n ARG 119 Ca 0.00 0.15 -0.23 0.00 -1.93 0.00 0.00 57.85 55.84 2k5i n ARG 119 Cb 0.00 -1.67 -0.11 0.00 -1.16 0.00 0.00 32.46 29.52 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 -2.62 1.42 0.05 5.56 1.70 -0.57 -5.15 118.95 119.34 2k5i s ARG 120 Ca -0.07 -1.53 0.08 0.00 -0.47 0.00 0.00 55.73 53.74 2k5i s ARG 120 Cb 0.07 -1.50 -0.03 0.00 -0.57 0.00 0.00 34.95 32.92 2k5i s ARG 120 CO 0.83 0.30 -0.23 0.71 -1.08 0.00 0.00 175.30 175.82 2k5i s TYR 121 N -2.20 2.03 -0.02 5.89 1.51 -1.26 -0.38 117.35 122.91 2k5i s TYR 121 Ca 0.21 -0.39 0.02 0.00 -1.01 0.00 0.00 57.07 55.89 2k5i s TYR 121 Cb -0.05 -1.20 0.01 0.00 -0.11 0.00 0.00 41.96 40.61 2k5i s TYR 121 CO 0.09 0.13 -0.06 0.71 -1.11 0.00 0.00 175.55 175.31 2k5i s TYR 122 N -0.84 0.69 -0.34 2.71 2.02 0.43 -1.76 117.35 120.25 2k5i s TYR 122 Ca 0.09 -0.16 -0.02 0.00 -0.37 0.00 0.00 57.07 56.61 2k5i s TYR 122 Cb -0.09 -0.54 0.07 0.00 -0.40 0.00 0.00 41.96 41.00 2k5i s TYR 122 CO 0.02 -0.10 0.08 0.42 -1.57 0.00 0.00 175.55 174.40 2k5i s ILE 123 N 0.39 3.06 -1.89 2.71 -1.09 0.22 -0.17 121.20 124.43 2k5i s ILE 123 Ca -0.05 -1.67 0.00 0.00 -2.23 0.00 0.00 60.65 56.70 2k5i s ILE 123 Cb -0.09 -2.91 0.00 0.00 -1.58 0.00 0.00 42.46 37.88 2k5i s ILE 123 CO 0.00 -0.34 0.00 -0.62 -1.23 0.00 0.00 174.94 172.75 2k5i n GLU 124 N 4.59 -1.62 0.00 2.79 1.02 -1.26 -0.61 120.64 125.55 2k5i n GLU 124 Ca -0.08 1.06 0.00 0.00 -0.02 0.00 0.00 57.16 58.12 2k5i n GLU 124 Cb 0.43 -5.62 0.00 0.00 -0.02 0.00 0.00 31.44 26.23 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 -0.76 0.13 3.55 0.62 0.00 -1.26 -5.06 105.19 102.40 2k5i n GLY 125 Ca -0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.93 3.50 0.15 1.61 0.52 0.23 -5.04 118.95 118.98 2k5i s ARG 126 Ca 0.00 -0.13 -0.31 0.00 -0.52 0.00 0.00 55.73 54.77 2k5i s ARG 126 Cb 0.00 -3.88 -0.09 0.00 0.52 0.00 0.00 34.95 31.50 2k5i s ARG 126 CO 0.00 -0.88 1.48 -1.83 0.02 0.00 0.00 175.30 174.08 2k5i s GLU 127 N 2.82 4.27 0.00 3.54 -1.05 -1.26 -0.61 118.70 126.40 2k5i s GLU 127 Ca 0.24 2.23 -0.22 0.00 -0.15 0.00 0.00 54.97 57.08 2k5i s GLU 127 Cb -0.14 -3.19 -0.05 0.00 -0.44 0.00 0.00 34.13 30.31 2k5i s GLU 127 CO 0.17 -0.51 0.64 0.42 0.95 0.00 0.00 175.26 176.93 2k5i s ILE 128 N 1.01 4.87 -0.81 1.83 -1.09 -0.73 -4.95 121.20 121.34 2k5i s ILE 128 Ca 0.67 1.34 -0.25 0.00 -2.23 0.00 0.00 60.65 60.17 2k5i s ILE 128 Cb -0.40 -3.98 0.01 0.00 -1.58 0.00 0.00 42.46 36.51 2k5i s ILE 128 CO 0.32 0.40 1.55 -0.62 -1.23 0.00 0.00 174.94 175.36 2k5i s ASP 129 N -0.13 5.91 0.17 3.58 2.15 -1.26 -4.82 116.67 122.27 2k5i s ASP 129 Ca 0.33 -0.58 -0.02 0.00 0.43 0.00 0.00 52.55 52.71 2k5i s ASP 129 Cb -0.19 -2.56 -0.04 0.00 -0.30 0.00 0.00 42.92 39.84 2k5i s ASP 129 CO 0.18 -2.01 0.12 -0.76 -0.17 0.00 0.00 175.17 172.54 2k5i s LEU 130 N 6.91 1.39 0.00 -1.34 1.43 -1.26 -4.94 118.68 120.87 2k5i s LEU 130 Ca 0.50 -1.25 0.03 0.00 -1.03 0.00 0.00 54.13 52.38 2k5i s LEU 130 Cb -0.07 0.46 -0.01 0.00 0.03 0.00 0.00 46.19 46.60 2k5i s LEU 130 CO 0.07 -0.80 0.11 0.61 0.23 0.00 0.00 176.35 176.57 2k5i n GLY 131 N -0.19 3.60 0.36 -3.19 0.00 -1.26 -5.00 105.19 99.52 2k5i n GLY 131 Ca -0.02 -1.78 -0.18 0.00 0.00 0.00 0.00 46.02 44.04 2k5i n GLY 131 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2k5i h TYR 132 N 1.41 -0.82 -0.39 1.61 5.03 -2.02 0.27 116.97 122.07 2k5i h TYR 132 Ca -0.10 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.19 2k5i h TYR 132 Cb 0.49 0.27 -0.02 0.00 1.55 0.00 0.00 36.73 39.02 2k5i h TYR 132 CO 0.00 -0.50 0.25 0.78 -1.32 0.00 0.00 178.16 177.37 2k5i h GLY 133 N -0.92 0.55 1.64 1.82 0.00 -2.00 -2.09 103.07 102.07 2k5i h GLY 133 Ca -0.09 -0.21 -0.22 0.00 0.00 0.00 0.00 47.33 46.81 2k5i h GLY 133 CO 0.15 0.21 -0.94 0.83 0.00 0.00 0.00 176.54 176.78 2k5i h GLU 134 N 0.53 0.31 0.00 4.80 4.39 -1.92 -3.29 114.58 119.40 2k5i h GLU 134 Ca 0.14 -0.35 -0.02 0.00 0.34 0.00 0.00 59.36 59.47 2k5i h GLU 134 Cb -0.04 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2k5i h GLU 134 CO -0.03 1.06 -0.09 0.00 -1.16 0.00 0.00 179.01 178.79 2k5i h ALA 135 N 0.82 1.79 -0.00 3.43 0.00 0.25 0.25 119.26 125.79 2k5i h ALA 135 Ca -0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2k5i h ALA 135 Cb 1.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.36 2k5i h ALA 135 CO 0.16 0.11 -0.00 -2.37 0.00 0.00 0.00 179.25 177.14 2k5i n THR 136 N -4.34 0.00 -0.05 0.00 5.66 -1.10 -1.38 114.28 113.06 2k5i n THR 136 Ca -0.03 -0.03 -0.00 0.00 -3.05 0.00 0.00 64.05 60.93 2k5i n THR 136 Cb 0.17 -0.35 -0.16 0.00 -1.55 0.00 0.00 70.33 68.43 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 -0.87 0.67 -3.15 1.09 5.02 0.07 -4.83 118.16 116.16 2k5i n LYS 137 Ca 0.22 -0.08 -0.43 0.00 -2.02 0.00 0.00 58.31 56.00 2k5i n LYS 137 Cb 0.16 -1.54 -0.07 0.00 -0.02 0.00 0.00 35.03 33.56 2k5i n LYS 137 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2k5i s ILE 138 N -2.96 4.87 -0.18 -0.18 1.09 -1.18 -0.57 121.20 122.09 2k5i s ILE 138 Ca -0.09 -0.04 -0.17 0.00 -1.10 0.00 0.00 60.65 59.25 2k5i s ILE 138 Cb 0.10 -4.19 -0.04 0.00 -1.06 0.00 0.00 42.46 37.27 2k5i s ILE 138 CO 0.86 -0.60 0.44 0.26 -0.10 0.00 0.00 174.94 175.81 2k5i s TRP 139 N 2.69 3.40 0.10 3.97 0.52 -0.73 -0.55 118.94 128.34 2k5i s TRP 139 Ca 0.20 0.71 0.07 0.00 0.02 0.00 0.00 56.10 57.09 2k5i s TRP 139 Cb -0.15 -2.56 -0.03 0.00 -1.15 0.00 0.00 33.47 29.57 2k5i s TRP 139 CO 0.17 0.01 -0.17 0.14 0.02 0.00 0.00 176.95 177.12 2k5i s VAL 140 N 1.24 1.42 -0.09 4.03 -7.23 -0.12 -1.53 120.40 118.12 2k5i s VAL 140 Ca 0.22 -1.53 -0.04 0.00 -1.81 0.00 0.00 61.98 58.81 2k5i s VAL 140 Cb -0.15 -1.40 -0.04 0.00 0.56 0.00 0.00 36.38 35.35 2k5i s VAL 140 CO 0.09 -0.23 0.08 -0.13 -0.31 0.00 0.00 175.10 174.60 2k5i s ARG 141 N -2.11 3.23 0.00 4.82 0.52 0.76 -1.38 118.95 124.79 2k5i s ARG 141 Ca 0.05 -0.28 -0.30 0.00 -0.52 0.00 0.00 55.73 54.68 2k5i s ARG 141 Cb -0.08 -3.00 -0.05 0.00 0.52 0.00 0.00 34.95 32.33 2k5i s ARG 141 CO 0.03 0.73 1.34 0.50 0.02 0.00 0.00 175.30 177.93 2k5i s ARG 142 N -1.08 4.31 0.33 3.54 6.06 -1.26 -0.16 118.95 130.69 2k5i s ARG 142 Ca 0.16 1.89 0.03 0.00 -2.50 0.00 0.00 55.73 55.31 2k5i s ARG 142 Cb -0.12 -3.53 -0.06 0.00 0.06 0.00 0.00 34.95 31.31 2k5i s ARG 142 CO 0.05 -0.51 0.07 0.14 -2.50 0.00 0.00 175.30 172.55 2k5i s VAL 143 N 2.15 1.05 -0.12 7.11 -7.23 -0.70 -4.92 120.40 117.73 2k5i s VAL 143 Ca 0.62 -2.00 0.15 0.00 -1.81 0.00 0.00 61.98 58.94 2k5i s VAL 143 Cb -0.30 -2.72 0.28 0.00 0.56 0.00 0.00 36.38 34.20 2k5i s VAL 143 CO 0.26 0.00 1.14 -0.24 -0.31 0.00 0.00 175.10 175.95 2k5i n SER 144 N -0.74 1.89 0.06 4.85 2.88 -1.26 -4.29 113.62 117.02 2k5i n SER 144 Ca -0.03 -3.06 0.06 0.00 -1.33 0.00 0.00 58.87 54.52 2k5i n SER 144 Cb 0.66 -0.41 0.30 0.00 -0.75 0.00 0.00 64.21 64.01 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 -1.14 0.26 -4.52 -3.46 2.03 -1.26 -4.73 116.55 103.73 2k5i n ASP 145 Ca 0.14 0.60 -0.20 0.00 0.52 0.00 0.00 54.79 55.84 2k5i n ASP 145 Cb 0.67 -0.64 -0.18 0.00 -0.72 0.00 0.00 41.12 40.26 2k5i n ASP 145 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k5i n ALA 146 N -1.62 0.86 -1.85 -1.67 0.00 -1.26 -4.41 120.51 110.56 2k5i n ALA 146 Ca 0.01 -0.97 -0.05 0.00 0.00 0.00 0.00 53.44 52.43 2k5i n ALA 146 Cb 0.08 -2.67 -0.05 0.00 0.00 0.00 0.00 19.45 16.82 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 5.94 0.19 3.73 0.00 0.00 -1.26 -5.13 105.19 108.66 2k5i n GLY 147 Ca 0.61 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.22 2k5i n GLY 147 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k5i s GLU 148 N 0.00 4.44 0.78 1.61 -6.30 -1.26 -5.03 118.70 112.94 2k5i s GLU 148 Ca 0.00 1.91 -0.03 0.00 -2.50 0.00 0.00 54.97 54.35 2k5i s GLU 148 Cb 0.00 -3.25 0.16 0.00 0.00 0.00 0.00 34.13 31.04 2k5i s GLU 148 CO -0.00 -0.18 1.06 0.39 0.02 0.00 0.00 175.26 176.55 2k5i n GLU 149 N 2.95 -0.31 -1.87 4.30 1.02 -1.26 -4.93 120.64 120.53 2k5i n GLU 149 Ca 0.06 -2.64 -0.22 0.00 -0.02 0.00 0.00 57.16 54.34 2k5i n GLU 149 Cb 0.44 -0.78 -0.07 0.00 -0.02 0.00 0.00 31.44 31.01 2k5i n GLU 149 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2k5i s SER 150 N -5.23 4.51 -0.03 1.62 0.01 -1.26 -4.92 113.70 108.39 2k5i s SER 150 Ca 0.68 -0.91 -0.30 0.00 1.31 0.00 0.00 55.95 56.73 2k5i s SER 150 Cb -0.03 -2.58 -0.07 0.00 0.21 0.00 0.00 66.02 63.55 2k5i s SER 150 CO 0.46 -3.49 1.80 -1.38 0.41 0.00 0.00 173.24 171.03 2k5i s HIS 151 N 12.73 1.68 0.90 2.43 -3.43 -1.26 -4.98 115.29 123.36 2k5i s HIS 151 Ca 0.76 -0.03 -0.14 0.00 -0.80 0.00 0.00 55.06 54.85 2k5i s HIS 151 Cb -0.06 -4.05 0.15 0.00 -1.43 0.00 0.00 32.58 27.19 2k5i s HIS 151 CO 0.09 -4.49 1.25 -1.25 -2.00 0.00 0.00 174.74 168.35 2k5i s PRO 152 N 4.33 1.17 0.00 -0.38 0.04 -1.26 -5.11 135.00 133.80 2k5i s PRO 152 Ca 0.80 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.68 2k5i s PRO 152 Cb -0.36 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2k5i s PRO 152 CO 0.34 -2.09 0.00 1.04 0.04 0.00 0.00 177.00 176.33 2k5i n GLN 153 N -3.60 2.96 -4.19 4.56 1.13 -1.26 -5.15 117.38 111.83 2k5i n GLN 153 Ca 0.12 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 55.06 2k5i n GLN 153 Cb 0.60 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.85 2k5i n GLN 153 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 2k5i s LYS 154 N 1.95 1.11 0.51 -1.09 -2.85 -1.26 -5.17 119.74 112.93 2k5i s LYS 154 Ca 0.00 -1.56 -0.09 0.00 -1.00 0.00 0.00 55.97 53.32 2k5i s LYS 154 Cb 0.00 0.22 0.12 0.00 -2.06 0.00 0.00 37.83 36.11 2k5i s LYS 154 CO 0.00 -0.33 0.54 1.28 0.10 0.00 0.00 175.35 176.94 2k5i n LEU 155 N -0.21 0.00 -4.72 2.77 7.99 -1.26 -4.97 117.00 116.59 2k5i n LEU 155 Ca -0.01 -0.58 -0.39 0.00 -0.01 0.00 0.00 56.01 55.02 2k5i n LEU 155 Cb 0.65 -0.46 0.04 0.00 -0.11 0.00 0.00 43.42 43.54 2k5i n LEU 155 CO 0.32 -1.27 0.91 -0.62 -1.51 0.00 0.00 177.39 175.22 2k5i n GLU 156 N -2.70 1.65 -0.92 3.23 4.71 -1.26 -4.93 120.64 120.43 2k5i n GLU 156 Ca 0.07 0.60 -0.04 0.00 -0.01 0.00 0.00 57.16 57.79 2k5i n GLU 156 Cb 0.26 -2.49 -0.03 0.00 -1.01 0.00 0.00 31.44 28.18 2k5i n GLU 156 CO 0.00 0.00 0.00 -2.39 0.09 0.00 0.00 177.13 174.83 2k5i n HIS 157 N -0.95 -0.12 -3.67 -0.32 1.44 -1.26 -5.13 115.22 105.21 2k5i n HIS 157 Ca 0.10 -0.35 -0.19 0.00 -2.01 0.00 0.00 57.72 55.27 2k5i n HIS 157 Cb 0.44 0.46 -0.17 0.00 0.12 0.00 0.00 29.99 30.84 2k5i n HIS 157 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2k5i s HIS 158 N 0.01 -0.00 0.70 -1.40 5.65 -1.26 -5.16 115.29 113.82 2k5i s HIS 158 Ca 0.01 0.35 -0.08 0.00 0.25 0.00 0.00 55.06 55.58 2k5i s HIS 158 Cb 0.03 -0.41 0.05 0.00 -1.18 0.00 0.00 32.58 31.06 2k5i s HIS 158 CO -0.01 -0.21 1.03 -1.01 -0.65 0.00 0.00 174.74 173.89 2k5i s HIS 159 N 2.16 3.02 0.08 3.88 0.09 -1.26 -5.10 115.29 118.16 2k5i s HIS 159 Ca 0.04 0.58 -0.09 0.00 -0.00 0.00 0.00 55.06 55.60 2k5i s HIS 159 Cb -0.12 -3.15 0.03 0.00 -0.00 0.00 0.00 32.58 29.34 2k5i s HIS 159 CO -0.04 -1.34 0.42 -2.39 -0.00 0.00 0.00 174.74 171.40 2k5i n HIS 160 N -2.93 -0.93 -3.03 1.40 1.44 -1.26 -5.19 115.22 104.72 2k5i n HIS 160 Ca 0.07 -0.54 -0.19 0.00 -2.01 0.00 0.00 57.72 55.05 2k5i n HIS 160 Cb 0.60 0.26 0.05 0.00 0.12 0.00 0.00 29.99 31.02 2k5i n HIS 160 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2k5i s HIS 161 N -4.48 1.71 0.00 -1.40 3.76 -1.26 -5.33 115.29 108.28 2k5i s HIS 161 Ca 0.09 -0.66 0.00 0.00 -0.15 0.00 0.00 55.06 54.35 2k5i s HIS 161 Cb -0.01 -2.25 0.00 0.00 1.11 0.00 0.00 32.58 31.43 2k5i s HIS 161 CO 0.02 -1.00 0.00 -2.39 -0.85 0.00 0.00 174.74 170.52