#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 2.47 0.49 3.17 1.02 -1.26 -0.76 119.74 124.88 2k5i s LYS 2 Ca 0.00 -0.93 0.33 0.00 0.02 0.00 0.00 55.97 55.40 2k5i s LYS 2 Cb 0.00 -2.47 1.71 0.00 -0.52 0.00 0.00 37.83 36.54 2k5i s LYS 2 CO 0.00 0.51 2.01 1.37 -0.92 0.00 0.00 175.35 178.33 2k5i h LEU 3 N 3.24 0.00 -1.95 3.17 -0.00 -1.76 -2.68 115.31 115.33 2k5i h LEU 3 Ca -0.48 0.00 0.15 0.00 -0.00 0.00 0.00 57.88 57.55 2k5i h LEU 3 Cb 1.18 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.81 2k5i h LEU 3 CO 0.58 0.00 0.50 -1.28 -0.00 0.00 0.00 178.44 178.25 2k5i h SER 4 N 0.00 0.00 0.00 0.17 0.87 -1.84 -0.99 113.55 111.76 2k5i h SER 4 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k5i h SER 4 Cb 0.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2k5i h SER 4 CO 0.00 0.00 -0.07 -2.11 -0.53 0.00 0.00 176.83 174.12 2k5i n ARG 5 N -3.83 1.15 -2.51 2.24 1.85 -1.01 -5.03 116.66 109.53 2k5i n ARG 5 Ca 0.10 -2.29 -0.41 0.00 -1.00 0.00 0.00 57.85 54.25 2k5i n ARG 5 Cb 0.71 -1.33 -0.04 0.00 -1.05 0.00 0.00 32.46 30.75 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 -2.36 4.51 0.01 2.89 2.96 -0.38 -4.91 118.68 121.39 2k5i s LEU 6 Ca 0.26 2.13 -0.30 0.00 -0.22 0.00 0.00 54.13 56.00 2k5i s LEU 6 Cb 0.23 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.26 2k5i s LEU 6 CO 0.02 -0.19 1.30 -0.69 -1.32 0.00 0.00 176.35 175.47 2k5i s VAL 7 N -0.51 3.91 0.12 1.68 1.01 -1.26 -4.91 120.40 120.45 2k5i s VAL 7 Ca 0.48 1.30 -0.35 0.00 0.00 0.00 0.00 61.98 63.41 2k5i s VAL 7 Cb -0.30 -3.84 -0.15 0.00 0.00 0.00 0.00 36.38 32.09 2k5i s VAL 7 CO 0.36 0.03 1.46 -2.65 0.00 0.00 0.00 175.10 174.30 2k5i n PRO 8 N 4.90 1.64 -0.29 2.72 -0.02 -1.26 -1.61 135.00 141.07 2k5i n PRO 8 Ca 0.11 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2k5i n PRO 8 Cb 0.45 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 2.96 0.99 3.56 -1.23 0.00 -0.10 -5.01 105.19 106.37 2k5i n GLY 9 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.77 5.22 0.10 1.61 1.01 -0.63 -5.02 120.40 119.92 2k5i s VAL 10 Ca 0.00 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 2k5i s VAL 10 Cb 0.00 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.60 2k5i s VAL 10 CO 0.00 0.05 1.16 -2.16 0.00 0.00 0.00 175.10 174.15 2k5i s PRO 11 N 1.92 4.48 0.39 2.72 0.04 -1.26 -4.26 135.00 139.04 2k5i s PRO 11 Ca 0.10 1.75 0.06 0.00 0.04 0.00 0.00 61.00 62.95 2k5i s PRO 11 Cb -0.16 -3.33 -0.02 0.00 0.04 0.00 0.00 34.50 31.03 2k5i s PRO 11 CO 0.11 -0.15 0.21 0.00 0.04 0.00 0.00 177.00 177.21 2k5i s ALA 12 N 0.62 2.60 0.02 8.56 0.00 0.44 -2.30 121.76 131.69 2k5i s ALA 12 Ca 0.55 -1.51 0.01 0.00 0.00 0.00 0.00 51.96 51.02 2k5i s ALA 12 Cb -0.29 1.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.87 2k5i s ALA 12 CO 0.31 -0.48 -0.04 0.50 0.00 0.00 0.00 175.76 176.06 2k5i s ARG 13 N -3.54 0.32 -0.03 0.00 3.52 0.10 0.20 118.95 119.53 2k5i s ARG 13 Ca 0.29 -0.44 -0.30 0.00 -0.13 0.00 0.00 55.73 55.15 2k5i s ARG 13 Cb 0.01 -0.12 -0.06 0.00 -1.56 0.00 0.00 34.95 33.23 2k5i s ARG 13 CO 0.21 0.02 1.54 0.42 -0.81 0.00 0.00 175.30 176.67 2k5i s ILE 14 N -0.89 3.59 -0.02 4.11 -1.09 -0.80 -0.35 121.20 125.74 2k5i s ILE 14 Ca -0.08 0.86 -0.00 0.00 -2.23 0.00 0.00 60.65 59.20 2k5i s ILE 14 Cb -0.06 -3.56 -0.00 0.00 -1.58 0.00 0.00 42.46 37.26 2k5i s ILE 14 CO -0.00 -0.04 -0.01 0.11 -1.23 0.00 0.00 174.94 173.77 2k5i h LYS 15 N 8.67 0.00 -2.99 2.79 1.79 -0.81 -3.27 116.57 122.76 2k5i h LYS 15 Ca -0.38 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.03 2k5i h LYS 15 Cb 1.17 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.68 2k5i h LYS 15 CO 0.94 0.00 0.02 -0.98 -1.08 0.00 0.00 179.45 178.34 2k5i s ARG 16 N -1.13 1.06 -0.27 3.15 1.70 -1.18 -4.63 118.95 117.66 2k5i s ARG 16 Ca -0.01 -0.40 0.03 0.00 -0.47 0.00 0.00 55.73 54.88 2k5i s ARG 16 Cb 0.00 0.48 0.06 0.00 -0.57 0.00 0.00 34.95 34.93 2k5i s ARG 16 CO 0.01 -0.40 -0.09 -0.51 -1.08 0.00 0.00 175.30 173.23 2k5i s LEU 17 N -2.29 3.56 0.00 -1.89 1.02 -1.26 -1.21 118.68 116.61 2k5i s LEU 17 Ca -0.02 -1.48 0.29 0.00 0.02 0.00 0.00 54.13 52.94 2k5i s LEU 17 Cb -0.00 -1.55 1.33 0.00 0.02 0.00 0.00 46.19 45.99 2k5i s LEU 17 CO -0.06 -0.21 1.91 -1.84 0.02 0.00 0.00 176.35 176.16 2k5i n GLU 18 N 4.42 1.16 -3.59 1.70 0.28 -0.89 -4.86 120.64 118.86 2k5i n GLU 18 Ca -0.12 -0.46 -0.38 0.00 -0.16 0.00 0.00 57.16 56.04 2k5i n GLU 18 Cb 0.42 -1.49 -0.06 0.00 1.43 0.00 0.00 31.44 31.74 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 -2.16 5.15 0.09 3.84 0.11 -1.26 -5.10 120.40 121.07 2k5i s VAL 19 Ca 0.38 0.68 -0.00 0.00 -2.93 0.00 0.00 61.98 60.10 2k5i s VAL 19 Cb 0.21 -3.63 -0.04 0.00 -1.53 0.00 0.00 36.38 31.38 2k5i s VAL 19 CO 0.39 0.59 -0.01 -0.55 -3.33 0.00 0.00 175.10 172.19 2k5i s SER 20 N -1.04 0.60 0.00 3.54 0.15 -1.26 -4.43 113.70 111.26 2k5i s SER 20 Ca 0.21 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 55.79 2k5i s SER 20 Cb -0.15 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.36 2k5i s SER 20 CO 0.11 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 174.55 2k5i n GLY 21 N 0.00 1.58 0.25 9.45 0.00 -1.26 -4.66 105.19 110.56 2k5i n GLY 21 Ca -0.11 -0.67 -0.05 0.00 0.00 0.00 0.00 46.02 45.20 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 0.29 0.15 1.61 -0.58 -1.26 -4.71 120.64 116.15 2k5i n GLU 22 Ca 0.00 0.12 0.05 0.00 -0.42 0.00 0.00 57.16 56.91 2k5i n GLU 22 Cb 0.00 -0.98 0.51 0.00 -0.57 0.00 0.00 31.44 30.40 2k5i n GLU 22 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2k5i h LEU 23 N -0.55 0.18 -0.43 -4.62 5.85 -1.93 -3.17 115.31 110.63 2k5i h LEU 23 Ca 0.00 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.72 2k5i h LEU 23 Cb 0.55 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 2k5i h LEU 23 CO 0.00 0.20 0.27 -0.74 -0.34 0.00 0.00 178.44 177.83 2k5i h HIS 24 N 0.20 0.51 -0.36 1.25 2.76 -1.84 -1.90 115.15 115.77 2k5i h HIS 24 Ca 0.05 0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.13 2k5i h HIS 24 Cb 0.11 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 2k5i h HIS 24 CO 0.00 0.31 -0.22 1.05 -1.30 0.00 0.00 177.93 177.77 2k5i h GLU 25 N 0.55 0.70 -0.03 5.26 -0.00 -1.83 -2.22 114.58 117.00 2k5i h GLU 25 Ca 0.17 -0.27 -0.17 0.00 -0.00 0.00 0.00 59.36 59.08 2k5i h GLU 25 Cb -0.02 -0.04 -0.01 0.00 -0.00 0.00 0.00 28.75 28.68 2k5i h GLU 25 CO -0.06 0.86 -0.74 1.57 -0.00 0.00 0.00 179.01 180.64 2k5i h LYS 26 N 0.62 0.21 0.55 1.06 2.10 -1.66 -2.02 116.57 117.42 2k5i h LYS 26 Ca 0.09 -0.18 -0.03 0.00 -2.00 0.00 0.00 60.65 58.53 2k5i h LYS 26 Cb 0.70 0.04 0.01 0.00 -0.90 0.00 0.00 32.23 32.08 2k5i h LYS 26 CO 0.05 0.86 -0.26 -0.07 -2.00 0.00 0.00 179.45 178.03 2k5i h LEU 27 N 0.14 -0.62 -1.84 7.07 3.38 -1.06 0.15 115.31 122.51 2k5i h LEU 27 Ca -0.02 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2k5i h LEU 27 Cb 1.31 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 42.22 2k5i h LEU 27 CO 0.11 -0.42 -0.05 -0.37 0.09 0.00 0.00 178.44 177.80 2k5i h VAL 28 N -0.77 1.05 -0.15 1.22 -1.51 -1.47 0.18 116.25 114.80 2k5i h VAL 28 Ca -0.08 -0.24 -0.13 0.00 -1.23 0.00 0.00 66.70 65.02 2k5i h VAL 28 Cb 0.58 1.09 -0.01 0.00 -2.13 0.00 0.00 31.29 30.82 2k5i h VAL 28 CO 0.12 0.07 -0.48 1.23 -1.23 0.00 0.00 177.57 177.29 2k5i h GLY 29 N 0.23 0.43 1.73 5.19 0.00 -1.04 -3.17 103.07 106.44 2k5i h GLY 29 Ca 0.01 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 2k5i h GLY 29 CO 0.01 0.41 -0.42 -0.33 0.00 0.00 0.00 176.54 176.21 2k5i h MET 30 N 0.32 0.00 0.00 4.80 2.07 0.39 -3.48 114.93 119.03 2k5i h MET 30 Ca 0.02 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.65 2k5i h MET 30 Cb 0.96 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.69 2k5i h MET 30 CO 0.08 0.14 0.00 0.41 1.07 0.00 0.00 176.91 178.61 2k5i n GLY 31 N 1.17 0.64 3.58 8.32 0.00 0.12 -4.92 105.19 114.10 2k5i n GLY 31 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.06 2.01 -0.02 1.61 0.40 0.38 -4.83 117.98 116.47 2k5i s PHE 32 Ca 0.00 0.28 0.02 0.00 -0.60 0.00 0.00 56.93 56.63 2k5i s PHE 32 Cb 0.00 -4.09 0.01 0.00 0.51 0.00 0.00 43.02 39.45 2k5i s PHE 32 CO 0.00 -1.35 -0.06 0.14 0.70 0.00 0.00 175.22 174.65 2k5i s VAL 33 N 10.18 0.53 -0.65 -0.44 -7.23 -1.26 -3.85 120.40 117.69 2k5i s VAL 33 Ca 0.67 -0.22 -0.27 0.00 -1.81 0.00 0.00 61.98 60.35 2k5i s VAL 33 Cb -0.01 -0.50 -0.12 0.00 0.56 0.00 0.00 36.38 36.31 2k5i s VAL 33 CO 0.10 0.18 2.48 -2.65 -0.31 0.00 0.00 175.10 174.90 2k5i n PRO 34 N 3.38 0.73 0.00 4.82 -0.02 -1.26 -2.31 135.00 140.34 2k5i n PRO 34 Ca -0.18 -0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.22 2k5i n PRO 34 Cb 0.55 -2.95 0.00 0.00 -0.02 0.00 0.00 33.50 31.07 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 6.18 2.52 3.78 -1.23 0.00 -1.23 -5.03 105.19 110.18 2k5i n GLY 35 Ca 0.45 -0.29 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 4.58 0.01 1.61 0.41 -0.98 -4.87 118.70 119.45 2k5i s GLU 36 Ca 0.00 1.37 -0.28 0.00 -0.41 0.00 0.00 54.97 55.65 2k5i s GLU 36 Cb 0.00 -2.83 -0.04 0.00 -1.78 0.00 0.00 34.13 29.48 2k5i s GLU 36 CO 0.00 0.26 0.89 -1.21 -0.49 0.00 0.00 175.26 174.72 2k5i s GLU 37 N -2.00 4.55 0.03 1.61 8.01 -1.26 -1.91 118.70 127.72 2k5i s GLU 37 Ca 0.50 1.27 0.07 0.00 0.01 0.00 0.00 54.97 56.82 2k5i s GLU 37 Cb -0.20 -3.43 -0.02 0.00 -4.31 0.00 0.00 34.13 26.17 2k5i s GLU 37 CO 0.25 0.05 -0.22 -1.50 0.01 0.00 0.00 175.26 173.86 2k5i s ILE 38 N 0.68 1.75 -0.01 -1.63 2.07 0.13 -4.66 121.20 119.53 2k5i s ILE 38 Ca 0.47 -1.17 0.02 0.00 -1.41 0.00 0.00 60.65 58.55 2k5i s ILE 38 Cb -0.21 -1.50 -0.00 0.00 0.13 0.00 0.00 42.46 40.88 2k5i s ILE 38 CO 0.26 0.29 -0.06 -1.83 -1.91 0.00 0.00 174.94 171.68 2k5i s GLU 39 N -1.05 0.59 -0.09 3.50 -1.05 -1.22 -0.42 118.70 118.96 2k5i s GLU 39 Ca 0.08 -0.22 -0.26 0.00 -0.15 0.00 0.00 54.97 54.43 2k5i s GLU 39 Cb -0.09 -0.58 -0.03 0.00 -0.44 0.00 0.00 34.13 33.00 2k5i s GLU 39 CO 0.01 0.11 0.82 0.42 0.95 0.00 0.00 175.26 177.57 2k5i s ILE 40 N 0.01 4.94 -0.10 1.83 -1.09 -1.26 -1.03 121.20 124.50 2k5i s ILE 40 Ca 0.00 1.66 -0.06 0.00 -2.23 0.00 0.00 60.65 60.03 2k5i s ILE 40 Cb -0.05 -4.14 -0.02 0.00 -1.58 0.00 0.00 42.46 36.67 2k5i s ILE 40 CO -0.00 0.15 -0.11 0.58 -1.23 0.00 0.00 174.94 174.32 2k5i h VAL 41 N 4.93 0.00 -2.47 2.92 2.07 -1.04 -0.24 116.25 122.42 2k5i h VAL 41 Ca -0.37 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 66.37 2k5i h VAL 41 Cb 1.18 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.77 2k5i h VAL 41 CO 0.78 0.00 0.10 0.00 0.02 0.00 0.00 177.57 178.47 2k5i s GLN 42 N -1.83 1.04 0.03 1.57 -2.07 -1.23 -4.53 119.66 112.64 2k5i s GLN 42 Ca -0.09 -0.03 -0.00 0.00 -1.82 0.00 0.00 55.36 53.41 2k5i s GLN 42 Cb 0.01 0.48 -0.04 0.00 -1.09 0.00 0.00 33.01 32.38 2k5i s GLN 42 CO 0.14 -0.36 0.16 0.08 -1.32 0.00 0.00 175.29 173.99 2k5i s VAL 43 N -1.92 5.15 0.55 3.63 1.01 -1.26 -1.34 120.40 126.22 2k5i s VAL 43 Ca -0.08 -0.38 -0.19 0.00 0.00 0.00 0.00 61.98 61.33 2k5i s VAL 43 Cb -0.01 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 2k5i s VAL 43 CO 0.03 0.23 1.10 0.00 0.00 0.00 0.00 175.10 176.46 2k5i s ALA 44 N -1.38 2.70 0.32 5.51 0.00 -0.44 -4.92 121.76 123.56 2k5i s ALA 44 Ca 0.30 0.71 0.28 0.00 0.00 0.00 0.00 51.96 53.25 2k5i s ALA 44 Cb -0.13 -3.32 1.54 0.00 0.00 0.00 0.00 23.12 21.21 2k5i s ALA 44 CO 0.22 -0.76 1.85 -1.00 0.00 0.00 0.00 175.76 176.06 2k5i h PRO 45 N 1.04 0.00 -0.35 0.00 0.13 -1.91 0.27 132.00 131.18 2k5i h PRO 45 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2k5i h PRO 45 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2k5i h PRO 45 CO 0.57 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.62 2k5i n LEU 46 N -2.61 1.84 -0.68 1.56 4.32 -1.26 -4.87 117.00 115.30 2k5i n LEU 46 Ca -0.02 -0.92 -0.09 0.00 -0.02 0.00 0.00 56.01 54.96 2k5i n LEU 46 Cb 0.20 -0.23 -0.04 0.00 -1.62 0.00 0.00 43.42 41.73 2k5i n LEU 46 CO 0.13 0.45 -0.08 0.61 -1.22 0.00 0.00 177.39 177.27 2k5i n GLY 47 N 1.02 1.02 0.00 -0.72 0.00 0.96 -4.94 105.19 102.53 2k5i n GLY 47 Ca 0.11 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2k5i n GLY 47 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k5i n ASP 48 N -0.06 0.00 -1.95 1.61 2.03 -1.22 -4.88 116.55 112.07 2k5i n ASP 48 Ca -0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.22 2k5i n ASP 48 Cb 0.36 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 2k5i n ASP 48 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2k5i n PRO 49 N -0.04 0.69 -4.86 -0.67 -0.04 -1.26 -4.63 135.00 124.20 2k5i n PRO 49 Ca 0.00 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.14 2k5i n PRO 49 Cb 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.33 2k5i n PRO 49 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2k5i s ILE 50 N 0.03 2.97 -0.15 0.52 -0.00 -0.85 -1.32 121.20 122.40 2k5i s ILE 50 Ca 0.00 -0.83 -0.10 0.00 -0.00 0.00 0.00 60.65 59.71 2k5i s ILE 50 Cb 0.00 -2.18 -0.05 0.00 -0.00 0.00 0.00 42.46 40.24 2k5i s ILE 50 CO 0.00 0.54 0.19 -0.69 -0.00 0.00 0.00 174.94 174.97 2k5i s VAL 51 N -0.77 5.39 0.25 8.37 1.01 -0.45 -1.38 120.40 132.82 2k5i s VAL 51 Ca 0.12 0.32 0.05 0.00 0.00 0.00 0.00 61.98 62.48 2k5i s VAL 51 Cb -0.11 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 2k5i s VAL 51 CO 0.02 0.50 -0.05 0.00 0.00 0.00 0.00 175.10 175.56 2k5i s LYS 53 N -3.77 2.21 -0.15 0.00 1.02 -0.20 -0.25 119.74 118.60 2k5i s LYS 53 Ca 0.28 -1.38 0.02 0.00 0.02 0.00 0.00 55.97 54.90 2k5i s LYS 53 Cb 0.04 -2.98 0.01 0.00 -0.52 0.00 0.00 37.83 34.38 2k5i s LYS 53 CO 0.09 -0.62 -0.21 0.42 -0.92 0.00 0.00 175.35 174.12 2k5i s ILE 54 N 1.11 2.02 -1.30 2.17 1.01 -1.04 -3.39 121.20 121.79 2k5i s ILE 54 Ca -0.06 -0.94 -0.03 0.00 0.00 0.00 0.00 60.65 59.62 2k5i s ILE 54 Cb -0.20 -1.80 0.00 0.00 0.01 0.00 0.00 42.46 40.47 2k5i s ILE 54 CO -0.04 0.54 0.41 0.61 0.00 0.00 0.00 174.94 176.45 2k5i n GLY 55 N 4.30 -0.30 2.69 6.18 0.00 -1.26 -2.75 105.19 114.05 2k5i n GLY 55 Ca -0.20 -0.06 -0.02 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.64 -5.14 -4.53 1.61 3.02 -1.26 -4.99 115.26 102.34 2k5i n ASN 56 Ca -0.11 0.06 -0.33 0.00 -0.03 0.00 0.00 54.58 54.16 2k5i n ASN 56 Cb 0.61 -2.86 -0.12 0.00 -0.61 0.00 0.00 39.78 36.80 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 -1.76 2.67 -0.57 3.52 1.70 -1.11 -5.08 118.95 118.32 2k5i s ARG 57 Ca 0.00 -0.61 -0.28 0.00 -0.47 0.00 0.00 55.73 54.37 2k5i s ARG 57 Cb 0.00 -2.51 0.03 0.00 -0.57 0.00 0.00 34.95 31.90 2k5i s ARG 57 CO 0.00 0.63 1.20 -0.80 -1.08 0.00 0.00 175.30 175.25 2k5i s ASN 58 N -0.73 6.45 -0.25 -2.89 -0.87 -1.26 -2.48 114.94 112.90 2k5i s ASN 58 Ca 0.11 0.15 -0.09 0.00 -1.57 0.00 0.00 52.86 51.46 2k5i s ASN 58 Cb -0.11 -2.55 -0.04 0.00 -0.02 0.00 0.00 41.25 38.52 2k5i s ASN 58 CO 0.01 -1.48 0.13 -0.63 -2.57 0.00 0.00 177.10 172.57 2k5i s ILE 59 N 4.98 5.00 -0.21 0.60 -1.09 0.66 -4.94 121.20 126.20 2k5i s ILE 59 Ca 0.44 0.06 -0.22 0.00 -2.23 0.00 0.00 60.65 58.70 2k5i s ILE 59 Cb -0.08 -3.34 -0.02 0.00 -1.58 0.00 0.00 42.46 37.44 2k5i s ILE 59 CO 0.26 0.33 0.69 -0.89 -1.23 0.00 0.00 174.94 174.09 2k5i s THR 60 N 1.34 4.97 -0.10 2.92 2.01 -1.26 -0.82 115.64 124.69 2k5i s THR 60 Ca 0.06 1.29 0.02 0.00 0.31 0.00 0.00 61.69 63.38 2k5i s THR 60 Cb -0.15 -3.99 0.01 0.00 0.01 0.00 0.00 72.50 68.38 2k5i s THR 60 CO 0.06 0.05 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.65 2k5i s LEU 61 N 2.21 1.83 0.22 4.42 1.98 -0.48 -5.01 118.68 123.85 2k5i s LEU 61 Ca 0.30 -0.45 -0.30 0.00 -2.89 0.00 0.00 54.13 50.79 2k5i s LEU 61 Cb -0.16 -1.14 -0.10 0.00 0.66 0.00 0.00 46.19 45.45 2k5i s LEU 61 CO 0.10 0.06 1.42 -0.13 -1.89 0.00 0.00 176.35 175.90 2k5i s ARG 62 N 0.75 4.29 0.19 1.98 1.81 -1.26 -2.01 118.95 124.71 2k5i s ARG 62 Ca -0.11 2.23 -0.12 0.00 -1.72 0.00 0.00 55.73 56.01 2k5i s ARG 62 Cb -0.16 -3.14 0.22 0.00 -0.45 0.00 0.00 34.95 31.41 2k5i s ARG 62 CO 0.02 -0.40 1.73 -0.22 -0.68 0.00 0.00 175.30 175.75 2k5i h LYS 63 N 5.40 0.29 -0.97 3.54 3.64 -1.92 0.15 116.57 126.71 2k5i h LYS 63 Ca -0.45 -0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.09 2k5i h LYS 63 Cb 1.21 -0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 32.88 2k5i h LYS 63 CO 0.80 0.19 0.61 0.07 -2.27 0.00 0.00 179.45 178.85 2k5i h ARG 64 N 0.30 0.68 0.00 1.90 0.11 -1.99 -0.76 114.38 114.62 2k5i h ARG 64 Ca 0.27 -0.04 -0.18 0.00 0.10 0.00 0.00 59.98 60.13 2k5i h ARG 64 Cb 0.34 -0.15 -0.03 0.00 1.11 0.00 0.00 29.97 31.24 2k5i h ARG 64 CO -0.31 0.45 -0.99 0.93 0.10 0.00 0.00 179.97 180.15 2k5i h GLU 65 N 0.70 0.00 0.00 0.08 4.39 -1.44 -3.26 114.58 115.06 2k5i h GLU 65 Ca 0.52 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.19 2k5i h GLU 65 Cb 0.88 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.53 2k5i h GLU 65 CO -0.29 0.62 -0.13 0.00 -1.16 0.00 0.00 179.01 178.05 2k5i h ALA 66 N 1.26 1.36 0.00 3.43 0.00 0.69 -0.83 119.26 125.18 2k5i h ALA 66 Ca -0.07 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2k5i h ALA 66 Cb 1.63 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2k5i h ALA 66 CO 0.08 0.17 0.00 -0.25 0.00 0.00 0.00 179.25 179.25 2k5i n ASP 67 N -3.78 0.00 -0.14 0.00 8.00 -0.90 -2.04 116.55 117.69 2k5i n ASP 67 Ca -0.02 0.34 0.11 0.00 0.71 0.00 0.00 54.79 55.92 2k5i n ASP 67 Cb 0.24 -0.41 0.02 0.00 -0.02 0.00 0.00 41.12 40.95 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 -1.41 1.15 -4.28 0.64 4.77 -0.31 -4.87 117.00 112.68 2k5i n LEU 68 Ca 0.04 -0.45 -0.33 0.00 -0.03 0.00 0.00 56.01 55.25 2k5i n LEU 68 Cb 0.11 -0.06 -0.16 0.00 -2.33 0.00 0.00 43.42 40.99 2k5i n LEU 68 CO 0.10 0.25 -0.50 -0.63 -1.33 0.00 0.00 177.39 175.28 2k5i s ILE 69 N -2.84 2.56 0.08 -0.08 1.09 -0.87 -2.08 121.20 119.06 2k5i s ILE 69 Ca 0.12 -0.83 0.03 0.00 -1.10 0.00 0.00 60.65 58.87 2k5i s ILE 69 Cb 0.17 -2.05 -0.04 0.00 -1.06 0.00 0.00 42.46 39.49 2k5i s ILE 69 CO 0.74 0.53 0.10 -0.70 -0.10 0.00 0.00 174.94 175.51 2k5i s GLU 70 N 0.51 2.96 0.29 2.79 2.12 -0.35 -3.48 118.70 123.53 2k5i s GLU 70 Ca -0.12 -0.66 0.03 0.00 0.36 0.00 0.00 54.97 54.58 2k5i s GLU 70 Cb -0.16 -2.77 -0.04 0.00 0.26 0.00 0.00 34.13 31.42 2k5i s GLU 70 CO 0.05 0.57 0.16 0.14 -0.54 0.00 0.00 175.26 175.64 2k5i s VAL 71 N -1.41 0.27 -0.03 3.70 -7.23 0.06 -0.12 120.40 115.64 2k5i s VAL 71 Ca 0.30 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.46 2k5i s VAL 71 Cb -0.12 -2.52 0.02 0.00 0.56 0.00 0.00 36.38 34.32 2k5i s VAL 71 CO 0.23 0.00 0.06 -1.83 -0.31 0.00 0.00 175.10 173.24 2k5i s GLU 72 N -3.85 0.02 0.04 4.82 -1.05 0.52 -4.28 118.70 114.92 2k5i s GLU 72 Ca 0.37 0.17 -0.30 0.00 -0.15 0.00 0.00 54.97 55.05 2k5i s GLU 72 Cb 0.05 -0.12 -0.07 0.00 -0.44 0.00 0.00 34.13 33.55 2k5i s GLU 72 CO 0.17 -0.10 1.54 0.08 0.95 0.00 0.00 175.26 177.90 2k5i s VAL 73 N 0.65 3.35 0.28 1.83 1.01 -1.26 0.02 120.40 126.29 2k5i s VAL 73 Ca -0.05 0.76 0.03 0.00 0.00 0.00 0.00 61.98 62.72 2k5i s VAL 73 Cb -0.07 -3.49 0.06 0.00 0.00 0.00 0.00 36.38 32.87 2k5i s VAL 73 CO -0.02 -0.00 1.71 0.58 0.00 0.00 0.00 175.10 177.36 2k5i h VAL 74 N 4.87 1.28 0.00 2.92 2.07 -1.76 -3.03 116.25 122.59 2k5i h VAL 74 Ca -0.40 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 65.78 2k5i h VAL 74 Cb 1.19 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 2k5i h VAL 74 CO 0.92 0.42 0.00 0.61 0.02 0.00 0.00 177.57 179.54 2k5i n GLY 75 N -0.31 -0.80 4.58 2.17 0.00 -1.26 -4.90 105.19 104.66 2k5i n GLY 75 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.39 1.63 3.78 -0.02 0.00 -1.15 -4.92 105.19 104.90 2k5i n GLY 76 Ca 0.06 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 2k5i n GLY 76 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k5i s GLU 77 N 0.00 4.18 -0.00 1.61 -1.05 -1.26 -4.78 118.70 117.39 2k5i s GLU 77 Ca 0.00 1.50 -0.12 0.00 -0.15 0.00 0.00 54.97 56.20 2k5i s GLU 77 Cb 0.00 -2.54 0.01 0.00 -0.44 0.00 0.00 34.13 31.17 2k5i s GLU 77 CO 0.00 -0.13 0.24 -0.48 0.95 0.00 0.00 175.26 175.84 2k5i s LEU 78 N -2.64 1.15 0.75 1.83 2.34 -0.40 -4.90 118.68 116.81 2k5i s LEU 78 Ca 0.58 -0.08 -0.15 0.00 0.06 0.00 0.00 54.13 54.55 2k5i s LEU 78 Cb -0.22 1.03 0.05 0.00 -0.56 0.00 0.00 46.19 46.50 2k5i s LEU 78 CO 0.27 -0.44 1.21 -2.16 -1.06 0.00 0.00 176.35 174.17 2k5i s PRO 79 N -1.52 1.98 0.37 1.48 0.04 -1.26 -0.25 135.00 135.84 2k5i s PRO 79 Ca -0.13 1.78 0.05 0.00 0.04 0.00 0.00 61.00 62.73 2k5i s PRO 79 Cb -0.06 -1.81 0.72 0.00 0.04 0.00 0.00 34.50 33.39 2k5i s PRO 79 CO 0.02 -1.96 2.00 1.25 0.04 0.00 0.00 177.00 178.35 2k5i h LEU 80 N -0.47 0.66 -2.29 -3.56 7.12 0.16 0.48 115.31 117.41 2k5i h LEU 80 Ca -0.47 -0.01 -0.01 0.00 0.13 0.00 0.00 57.88 57.52 2k5i h LEU 80 Cb 1.30 -0.15 -0.00 0.00 -0.53 0.00 0.00 40.66 41.27 2k5i h LEU 80 CO 0.49 0.45 -0.05 -0.29 -0.13 0.00 0.00 178.44 178.91 2k5i h ILE 81 N 0.77 0.47 -0.48 4.05 6.09 -1.73 -1.29 117.51 125.38 2k5i h ILE 81 Ca 0.26 -0.22 0.00 0.00 -1.37 0.00 0.00 64.86 63.53 2k5i h ILE 81 Cb 0.07 1.15 0.00 0.00 0.47 0.00 0.00 36.82 38.50 2k5i h ILE 81 CO -0.07 0.05 0.00 0.18 -3.07 0.00 0.00 178.15 175.24 2k5i n LEU 82 N -3.66 3.52 -4.56 2.19 4.77 0.13 -4.89 117.00 114.50 2k5i n LEU 82 Ca -0.02 -1.69 -0.24 0.00 -0.03 0.00 0.00 56.01 54.03 2k5i n LEU 82 Cb 0.15 -0.32 -0.06 0.00 -2.33 0.00 0.00 43.42 40.87 2k5i n LEU 82 CO 0.28 0.81 1.32 0.00 -1.33 0.00 0.00 177.39 178.46 2k5i s ALA 83 N -1.26 1.46 -0.25 -1.18 0.00 -0.49 -4.84 121.76 115.19 2k5i s ALA 83 Ca 0.40 -1.39 -0.38 0.00 0.00 0.00 0.00 51.96 50.59 2k5i s ALA 83 Cb 0.22 -4.57 -0.14 0.00 0.00 0.00 0.00 23.12 18.63 2k5i s ALA 83 CO 0.30 -5.08 1.85 -3.47 0.00 0.00 0.00 175.76 169.36 2k5i n ASP 84 N 15.00 2.60 -2.18 0.00 -0.08 -1.26 -4.60 116.55 126.02 2k5i n ASP 84 Ca 0.42 0.96 -0.31 0.00 -1.51 0.00 0.00 54.79 54.35 2k5i n ASP 84 Cb 0.46 -1.21 -0.06 0.00 2.34 0.00 0.00 41.12 42.65 2k5i n ASP 84 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2k5i n ASP 85 N 6.34 0.42 0.00 1.67 9.92 -1.26 -4.79 116.55 128.85 2k5i n ASP 85 Ca 0.28 0.39 0.00 0.00 -0.53 0.00 0.00 54.79 54.93 2k5i n ASP 85 Cb 0.18 -0.45 0.00 0.00 -0.64 0.00 0.00 41.12 40.21 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 3.43 -0.69 3.66 0.44 0.00 -1.01 -5.02 105.19 106.01 2k5i n GLY 86 Ca 0.25 -0.82 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 2k5i n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k5i s THR 87 N -3.00 5.27 0.22 2.61 2.01 -1.26 -1.59 115.64 119.90 2k5i s THR 87 Ca 0.00 0.47 0.05 0.00 0.31 0.00 0.00 61.69 62.51 2k5i s THR 87 Cb 0.00 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 2k5i s THR 87 CO 0.00 0.29 -0.04 -0.31 -0.69 0.00 0.00 174.62 173.87 2k5i s TYR 88 N 1.21 1.60 -0.06 4.92 1.51 -0.71 -1.27 117.35 124.55 2k5i s TYR 88 Ca 0.14 -0.83 0.03 0.00 -1.01 0.00 0.00 57.07 55.40 2k5i s TYR 88 Cb -0.14 -0.89 0.00 0.00 -0.11 0.00 0.00 41.96 40.82 2k5i s TYR 88 CO 0.06 0.07 -0.17 -2.00 -1.11 0.00 0.00 175.55 172.41 2k5i s GLU 89 N -3.80 2.03 0.16 -0.62 2.12 0.52 0.33 118.70 119.45 2k5i s GLU 89 Ca 0.26 -0.59 -0.30 0.00 0.36 0.00 0.00 54.97 54.70 2k5i s GLU 89 Cb 0.04 -1.66 -0.08 0.00 0.26 0.00 0.00 34.13 32.69 2k5i s GLU 89 CO 0.08 0.14 1.31 -1.50 -0.54 0.00 0.00 175.26 174.75 2k5i s ILE 90 N 0.36 3.33 -0.15 -3.70 2.07 -0.18 0.08 121.20 123.01 2k5i s ILE 90 Ca -0.12 1.05 0.07 0.00 -1.41 0.00 0.00 60.65 60.24 2k5i s ILE 90 Cb -0.15 -3.67 -0.14 0.00 0.13 0.00 0.00 42.46 38.64 2k5i s ILE 90 CO 0.04 0.13 -0.05 1.07 -1.91 0.00 0.00 174.94 174.23 2k5i n THR 91 N 3.08 0.93 -3.59 4.00 5.66 0.33 -2.76 114.28 121.93 2k5i n THR 91 Ca 0.08 -0.47 -0.05 0.00 -3.05 0.00 0.00 64.05 60.55 2k5i n THR 91 Cb 0.43 -0.86 -0.02 0.00 -1.55 0.00 0.00 70.33 68.33 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 -2.33 0.76 0.18 1.09 -2.85 -1.18 -4.92 119.74 110.49 2k5i s LYS 92 Ca -0.14 -0.34 0.11 0.00 -1.00 0.00 0.00 55.97 54.60 2k5i s LYS 92 Cb 0.05 0.31 -0.04 0.00 -2.06 0.00 0.00 37.83 36.09 2k5i s LYS 92 CO 0.47 -0.34 -0.22 -0.51 0.10 0.00 0.00 175.35 174.85 2k5i s LEU 93 N -2.58 2.53 -0.37 2.77 2.01 -1.26 -0.93 118.68 120.85 2k5i s LEU 93 Ca 0.08 -0.78 -0.04 0.00 0.01 0.00 0.00 54.13 53.41 2k5i s LEU 93 Cb -0.00 -1.28 0.08 0.00 0.01 0.00 0.00 46.19 44.99 2k5i s LEU 93 CO -0.05 0.13 0.14 0.20 1.01 0.00 0.00 176.35 177.78 2k5i s ASN 94 N -2.58 5.20 0.00 2.29 0.02 0.68 -4.99 114.94 115.56 2k5i s ASN 94 Ca 0.20 -1.64 0.00 0.00 -1.02 0.00 0.00 52.86 50.41 2k5i s ASN 94 Cb -0.09 -1.82 0.00 0.00 0.02 0.00 0.00 41.25 39.37 2k5i s ASN 94 CO 0.10 -0.43 0.00 0.61 0.02 0.00 0.00 177.10 177.40 2k5i n GLY 95 N 4.67 -0.53 3.42 0.66 0.00 -1.26 -4.83 105.19 107.31 2k5i n GLY 95 Ca -0.08 -1.20 -0.26 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.71 -1.35 0.32 -0.02 0.00 -1.26 -4.75 105.19 97.42 2k5i n GLY 96 Ca 0.00 -1.72 0.09 0.00 0.00 0.00 0.00 46.02 44.39 2k5i n GLY 96 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2k5i h ARG 97 N 0.00 0.32 0.19 1.61 0.11 -2.02 -0.86 114.38 113.73 2k5i h ARG 97 Ca -0.38 -0.02 0.01 0.00 0.10 0.00 0.00 59.98 59.69 2k5i h ARG 97 Cb 1.05 -0.07 -0.02 0.00 1.11 0.00 0.00 29.97 32.04 2k5i h ARG 97 CO 0.27 0.21 -0.22 0.00 0.10 0.00 0.00 179.97 180.33 2k5i h ARG 98 N 0.33 -0.44 -0.28 0.08 3.08 -1.99 -1.15 114.38 114.01 2k5i h ARG 98 Ca 0.17 0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.27 2k5i h ARG 98 Cb 0.27 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 2k5i h ARG 98 CO -0.04 -0.29 0.14 0.35 -1.07 0.00 0.00 179.97 179.06 2k5i h PHE 99 N -0.45 0.26 -0.07 3.04 3.57 -1.54 -0.50 116.94 121.26 2k5i h PHE 99 Ca 0.01 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2k5i h PHE 99 Cb 0.44 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 2k5i h PHE 99 CO -0.17 0.15 0.04 -0.07 -2.23 0.00 0.00 178.31 176.03 2k5i h LEU 100 N 0.30 0.07 -0.72 0.59 3.38 -1.24 -2.11 115.31 115.58 2k5i h LEU 100 Ca 0.12 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 2k5i h LEU 100 Cb 0.03 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2k5i h LEU 100 CO -0.08 0.05 0.04 0.15 0.09 0.00 0.00 178.44 178.70 2k5i h PHE 101 N 0.09 1.10 0.20 1.13 3.57 -1.04 -2.44 116.94 119.55 2k5i h PHE 101 Ca 0.02 -0.17 0.01 0.00 3.53 0.00 0.00 57.97 61.37 2k5i h PHE 101 Cb -0.01 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.41 2k5i h PHE 101 CO -0.07 0.96 -0.26 0.00 -2.23 0.00 0.00 178.31 176.70 2k5i h ARG 102 N 0.95 -0.50 -0.17 1.11 2.47 -0.94 -2.70 114.38 114.60 2k5i h ARG 102 Ca 0.18 0.03 0.01 0.00 -1.26 0.00 0.00 59.98 58.94 2k5i h ARG 102 Cb 0.49 0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.92 2k5i h ARG 102 CO 0.02 -0.33 0.11 0.52 0.56 0.00 0.00 179.97 180.85 2k5i h MET 103 N -0.52 0.19 -0.58 0.04 2.86 -1.26 -0.08 114.93 115.58 2k5i h MET 103 Ca 0.01 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2k5i h MET 103 Cb 0.51 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.09 2k5i h MET 103 CO -0.10 0.13 0.37 0.87 1.06 0.00 0.00 176.91 179.24 2k5i h LYS 104 N 0.19 0.77 0.00 1.72 1.57 -1.12 0.19 116.57 119.89 2k5i h LYS 104 Ca 0.06 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 2k5i h LYS 104 Cb 0.02 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 2k5i h LYS 104 CO -0.01 0.52 -0.29 -0.91 -0.57 0.00 0.00 179.45 178.19 2k5i h ASN 105 N 0.79 0.00 0.38 0.86 2.35 -0.82 -3.23 115.58 115.92 2k5i h ASN 105 Ca 0.21 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.65 2k5i h ASN 105 Cb -0.07 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 2k5i h ASN 105 CO -0.04 0.29 -1.76 -0.07 -1.65 0.00 0.00 177.43 174.19 2k5i h LEU 106 N 0.00 0.17 0.00 1.61 -0.00 -1.17 -3.50 115.31 112.42 2k5i h LEU 106 Ca -0.00 -0.36 0.00 0.00 -0.00 0.00 0.00 57.88 57.52 2k5i h LEU 106 Cb 0.99 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.60 2k5i h LEU 106 CO 0.04 1.32 0.00 0.61 -0.00 0.00 0.00 178.44 180.41 2k5i n GLY 107 N 1.70 3.83 3.58 0.83 0.00 0.60 -4.89 105.19 110.85 2k5i n GLY 107 Ca -0.21 -0.72 -0.19 0.00 0.00 0.00 0.00 46.02 44.90 2k5i n GLY 107 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2k5i n ILE 108 N 0.00 0.70 0.02 -0.61 -0.00 -1.13 -4.42 119.36 113.93 2k5i n ILE 108 Ca 0.00 -0.73 -0.01 0.00 -0.00 0.00 0.00 62.75 62.01 2k5i n ILE 108 Cb 0.00 -2.06 -0.00 0.00 -0.00 0.00 0.00 39.64 37.57 2k5i n ILE 108 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 176.55 174.71 2k5i n GLU 109 N 8.18 0.03 -3.65 6.28 0.28 -1.26 -4.37 120.64 126.14 2k5i n GLU 109 Ca 0.42 0.01 -0.02 0.00 -0.16 0.00 0.00 57.16 57.41 2k5i n GLU 109 Cb 0.47 -0.56 -0.07 0.00 1.43 0.00 0.00 31.44 32.71 2k5i n GLU 109 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2k5i s SER 110 N -5.57 -0.18 0.00 -1.84 0.15 -1.26 -4.79 113.70 100.20 2k5i s SER 110 Ca -0.02 0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.95 2k5i s SER 110 Cb 0.01 0.62 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 2k5i s SER 110 CO 0.03 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.03 2k5i n GLY 111 N 2.36 0.19 3.80 9.45 0.00 -1.11 -4.96 105.19 114.92 2k5i n GLY 111 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.11 4.34 -0.24 1.61 -0.14 -1.26 -4.86 119.74 118.07 2k5i s LYS 112 Ca 0.00 0.90 -0.16 0.00 -1.36 0.00 0.00 55.97 55.35 2k5i s LYS 112 Cb 0.00 -3.23 -0.03 0.00 -1.68 0.00 0.00 37.83 32.88 2k5i s LYS 112 CO 0.00 0.61 0.43 0.15 -0.76 0.00 0.00 175.35 175.78 2k5i s LYS 113 N -1.16 4.09 -0.23 1.68 3.01 -1.26 -1.01 119.74 124.86 2k5i s LYS 113 Ca 0.32 0.20 -0.09 0.00 -1.01 0.00 0.00 55.97 55.38 2k5i s LYS 113 Cb -0.21 -3.62 -0.04 0.00 -1.01 0.00 0.00 37.83 32.95 2k5i s LYS 113 CO 0.22 -0.23 0.12 -1.50 0.51 0.00 0.00 175.35 174.47 2k5i s ILE 114 N 1.92 5.02 -0.35 2.17 1.10 0.15 -3.69 121.20 127.53 2k5i s ILE 114 Ca 0.19 0.06 -0.22 0.00 -0.51 0.00 0.00 60.65 60.16 2k5i s ILE 114 Cb -0.15 -3.33 0.00 0.00 0.15 0.00 0.00 42.46 39.13 2k5i s ILE 114 CO 0.09 0.37 0.74 -1.10 -2.11 0.00 0.00 174.94 172.93 2k5i s GLN 115 N 1.03 3.79 -0.46 3.50 -1.52 0.44 -1.73 119.66 124.70 2k5i s GLN 115 Ca 0.06 0.31 -0.14 0.00 -1.95 0.00 0.00 55.36 53.64 2k5i s GLN 115 Cb -0.14 -3.79 0.08 0.00 -0.22 0.00 0.00 33.01 28.95 2k5i s GLN 115 CO 0.04 -0.77 0.37 0.08 -0.25 0.00 0.00 175.29 174.75 2k5i s VAL 116 N 2.95 4.92 -0.32 1.09 1.01 -0.62 -0.67 120.40 128.75 2k5i s VAL 116 Ca 0.30 -1.23 0.02 0.00 0.00 0.00 0.00 61.98 61.07 2k5i s VAL 116 Cb -0.14 -3.99 0.10 0.00 0.00 0.00 0.00 36.38 32.35 2k5i s VAL 116 CO 0.15 -0.60 0.05 -0.44 0.00 0.00 0.00 175.10 174.27 2k5i s SER 117 N 2.57 4.49 -0.70 3.32 0.01 0.09 -2.40 113.70 121.08 2k5i s SER 117 Ca 0.04 -1.93 -0.02 0.00 1.31 0.00 0.00 55.95 55.34 2k5i s SER 117 Cb -0.25 -1.38 0.00 0.00 0.21 0.00 0.00 66.02 64.61 2k5i s SER 117 CO 0.05 -0.38 0.60 0.61 0.41 0.00 0.00 173.24 174.53 2k5i n GLY 118 N 4.46 0.07 2.80 3.44 0.00 -1.26 -2.61 105.19 112.09 2k5i n GLY 118 Ca 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.84 -1.62 -4.04 1.61 3.00 -1.26 -4.98 116.66 106.53 2k5i n ARG 119 Ca -0.08 0.46 -0.36 0.00 -0.01 0.00 0.00 57.85 57.87 2k5i n ARG 119 Cb 0.56 -4.70 -0.08 0.00 0.00 0.00 0.00 32.46 28.24 2k5i n ARG 119 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2k5i s ARG 120 N -1.78 3.51 -0.16 5.56 0.52 -1.07 -5.10 118.95 120.42 2k5i s ARG 120 Ca 0.00 -0.27 -0.03 0.00 -0.52 0.00 0.00 55.73 54.91 2k5i s ARG 120 Cb 0.00 -3.10 -0.02 0.00 0.52 0.00 0.00 34.95 32.35 2k5i s ARG 120 CO 0.00 0.59 -0.05 0.71 0.02 0.00 0.00 175.30 176.57 2k5i s TYR 121 N -0.52 2.98 -0.10 -0.53 2.02 -1.26 -0.73 117.35 119.21 2k5i s TYR 121 Ca 0.11 -0.43 -0.01 0.00 -0.37 0.00 0.00 57.07 56.37 2k5i s TYR 121 Cb -0.12 -1.97 0.03 0.00 -0.40 0.00 0.00 41.96 39.50 2k5i s TYR 121 CO 0.02 -0.14 -0.05 0.71 -1.57 0.00 0.00 175.55 174.52 2k5i s TYR 122 N 0.53 1.25 -0.27 2.71 1.51 0.15 -0.78 117.35 122.46 2k5i s TYR 122 Ca -0.04 -0.59 -0.21 0.00 -1.01 0.00 0.00 57.07 55.22 2k5i s TYR 122 Cb -0.15 -1.11 -0.01 0.00 -0.11 0.00 0.00 41.96 40.58 2k5i s TYR 122 CO 0.03 -0.47 0.67 0.42 -1.11 0.00 0.00 175.55 175.09 2k5i s ILE 123 N 1.78 4.94 -0.42 2.71 -1.09 0.80 -0.42 121.20 129.51 2k5i s ILE 123 Ca 0.05 1.13 0.00 0.00 -2.23 0.00 0.00 60.65 59.59 2k5i s ILE 123 Cb -0.13 -3.99 0.00 0.00 -1.58 0.00 0.00 42.46 36.76 2k5i s ILE 123 CO -0.07 -0.05 0.00 -1.84 -1.23 0.00 0.00 174.94 171.75 2k5i n GLU 124 N 5.84 -1.57 0.00 2.79 0.28 -1.24 0.03 120.64 126.75 2k5i n GLU 124 Ca 0.00 0.32 0.00 0.00 -0.16 0.00 0.00 57.16 57.33 2k5i n GLU 124 Cb 0.49 -4.03 0.00 0.00 1.43 0.00 0.00 31.44 29.33 2k5i n GLU 124 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k5i n GLY 125 N 0.11 1.16 3.70 -1.84 0.00 -1.26 -5.10 105.19 101.95 2k5i n GLY 125 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 4.47 0.19 1.61 0.52 0.10 -4.95 118.95 120.90 2k5i s ARG 126 Ca 0.00 1.40 -0.30 0.00 -0.52 0.00 0.00 55.73 56.31 2k5i s ARG 126 Cb 0.00 -3.51 -0.09 0.00 0.52 0.00 0.00 34.95 31.87 2k5i s ARG 126 CO 0.00 -0.22 1.36 -1.83 0.02 0.00 0.00 175.30 174.63 2k5i s GLU 127 N 1.66 4.34 -0.14 3.54 -1.05 -1.26 -0.14 118.70 125.65 2k5i s GLU 127 Ca 0.50 2.12 -0.03 0.00 -0.15 0.00 0.00 54.97 57.41 2k5i s GLU 127 Cb -0.19 -3.19 -0.03 0.00 -0.44 0.00 0.00 34.13 30.29 2k5i s GLU 127 CO 0.21 -0.34 -0.05 0.42 0.95 0.00 0.00 175.26 176.46 2k5i s ILE 128 N 0.33 3.82 -1.01 1.83 -1.09 0.04 -4.90 121.20 120.22 2k5i s ILE 128 Ca 0.59 -0.39 -0.23 0.00 -2.23 0.00 0.00 60.65 58.39 2k5i s ILE 128 Cb -0.38 -2.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.85 2k5i s ILE 128 CO 0.37 0.51 1.71 -1.81 -1.23 0.00 0.00 174.94 174.49 2k5i s ASP 129 N 0.19 5.88 -0.09 3.58 1.11 -1.26 -4.68 116.67 121.41 2k5i s ASP 129 Ca -0.03 -1.24 0.00 0.00 0.18 0.00 0.00 52.55 51.46 2k5i s ASP 129 Cb -0.14 -2.57 0.02 0.00 1.07 0.00 0.00 42.92 41.31 2k5i s ASP 129 CO 0.03 -2.09 -0.06 -0.76 1.18 0.00 0.00 175.17 173.46 2k5i s LEU 130 N 7.41 1.16 0.00 1.23 1.43 -1.26 -5.09 118.68 123.56 2k5i s LEU 130 Ca 0.58 -0.23 0.06 0.00 -1.03 0.00 0.00 54.13 53.51 2k5i s LEU 130 Cb -0.02 -0.70 0.06 0.00 0.03 0.00 0.00 46.19 45.56 2k5i s LEU 130 CO -0.03 -0.10 0.53 0.61 0.23 0.00 0.00 176.35 177.59 2k5i n GLY 131 N 4.67 2.16 0.35 -3.19 0.00 -1.26 -4.88 105.19 103.04 2k5i n GLY 131 Ca -0.15 -2.22 -0.12 0.00 0.00 0.00 0.00 46.02 43.53 2k5i n GLY 131 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2k5i h TYR 132 N 0.21 -0.99 -0.13 1.61 3.20 -2.01 0.28 116.97 119.13 2k5i h TYR 132 Ca -0.22 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.66 2k5i h TYR 132 Cb 0.94 0.39 -0.01 0.00 1.54 0.00 0.00 36.73 39.60 2k5i h TYR 132 CO 0.00 -0.46 0.05 0.78 -1.64 0.00 0.00 178.16 176.89 2k5i h GLY 133 N -0.68 0.19 1.01 1.82 0.00 -2.02 -2.39 103.07 101.00 2k5i h GLY 133 Ca -0.04 -0.08 -0.24 0.00 0.00 0.00 0.00 47.33 46.98 2k5i h GLY 133 CO -0.07 0.07 -0.99 0.83 0.00 0.00 0.00 176.54 176.38 2k5i h GLU 134 N 0.18 0.51 0.00 4.80 5.08 -1.93 -3.35 114.58 119.87 2k5i h GLU 134 Ca 0.05 -0.67 -0.01 0.00 -1.00 0.00 0.00 59.36 57.73 2k5i h GLU 134 Cb 0.04 0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 2k5i h GLU 134 CO -0.01 1.28 -0.03 0.00 -1.00 0.00 0.00 179.01 179.26 2k5i h ALA 135 N 0.25 1.70 0.00 3.43 0.00 0.08 0.94 119.26 125.66 2k5i h ALA 135 Ca -0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2k5i h ALA 135 Cb 1.71 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2k5i h ALA 135 CO 0.19 0.04 0.00 -2.37 0.00 0.00 0.00 179.25 177.11 2k5i n THR 136 N -4.14 0.82 0.05 0.00 5.66 -1.12 -2.27 114.28 113.29 2k5i n THR 136 Ca -0.03 0.19 -0.05 0.00 -3.05 0.00 0.00 64.05 61.11 2k5i n THR 136 Cb 0.11 -1.07 -0.09 0.00 -1.55 0.00 0.00 70.33 67.73 2k5i n THR 136 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2k5i h LYS 137 N 0.00 0.00 -6.33 1.09 6.56 -0.99 -3.46 116.57 113.44 2k5i h LYS 137 Ca 0.00 0.00 -0.55 0.00 -1.06 0.00 0.00 60.65 59.04 2k5i h LYS 137 Cb 0.37 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.99 2k5i h LYS 137 CO 0.00 0.70 0.07 0.42 -2.06 0.00 0.00 179.45 178.57 2k5i s ILE 138 N -2.76 4.62 -0.07 1.86 1.09 -1.11 -0.23 121.20 124.60 2k5i s ILE 138 Ca -0.00 1.44 0.05 0.00 -1.10 0.00 0.00 60.65 61.03 2k5i s ILE 138 Cb 0.09 -4.01 -0.01 0.00 -1.06 0.00 0.00 42.46 37.46 2k5i s ILE 138 CO 0.81 0.51 -0.21 0.26 -0.10 0.00 0.00 174.94 176.20 2k5i s TRP 139 N -0.91 2.55 0.25 3.97 0.52 -0.10 0.16 118.94 125.37 2k5i s TRP 139 Ca 0.33 -0.66 0.02 0.00 0.02 0.00 0.00 56.10 55.81 2k5i s TRP 139 Cb -0.21 -1.65 -0.05 0.00 -1.15 0.00 0.00 33.47 30.41 2k5i s TRP 139 CO 0.22 -0.18 0.05 0.14 0.02 0.00 0.00 176.95 177.19 2k5i s VAL 140 N -0.11 0.81 0.11 4.03 -7.23 0.66 -0.51 120.40 118.15 2k5i s VAL 140 Ca -0.04 -2.01 0.05 0.00 -1.81 0.00 0.00 61.98 58.17 2k5i s VAL 140 Cb -0.14 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 2k5i s VAL 140 CO 0.04 -0.18 -0.12 -0.13 -0.31 0.00 0.00 175.10 174.40 2k5i s ARG 141 N -3.94 0.93 -0.12 4.82 0.52 0.11 -1.27 118.95 119.99 2k5i s ARG 141 Ca 0.33 -1.19 -0.29 0.00 -0.52 0.00 0.00 55.73 54.06 2k5i s ARG 141 Cb 0.07 -0.73 -0.02 0.00 0.52 0.00 0.00 34.95 34.79 2k5i s ARG 141 CO 0.11 0.13 1.24 0.50 0.02 0.00 0.00 175.30 177.30 2k5i s ARG 142 N -2.67 4.28 0.22 3.54 6.06 -1.26 -0.35 118.95 128.76 2k5i s ARG 142 Ca 0.07 1.67 0.02 0.00 -2.50 0.00 0.00 55.73 54.99 2k5i s ARG 142 Cb -0.04 -3.68 -0.01 0.00 0.06 0.00 0.00 34.95 31.28 2k5i s ARG 142 CO 0.02 -0.61 0.08 1.33 -2.50 0.00 0.00 175.30 173.62 2k5i n VAL 143 N 5.08 0.00 -1.64 7.11 0.24 -0.40 -4.89 118.33 123.82 2k5i n VAL 143 Ca 0.13 -1.27 0.00 0.00 -2.04 0.00 0.00 64.34 61.16 2k5i n VAL 143 Cb 0.45 0.46 0.00 0.00 -1.47 0.00 0.00 33.84 33.29 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 -1.80 0.00 -4.56 -1.34 2.88 -1.26 -4.38 113.62 103.16 2k5i n SER 144 Ca -0.03 -1.55 -0.32 0.00 -1.33 0.00 0.00 58.87 55.65 2k5i n SER 144 Cb 0.33 -0.11 -0.04 0.00 -0.75 0.00 0.00 64.21 63.63 2k5i n SER 144 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2k5i s ASP 145 N -0.55 5.61 -0.25 -3.46 1.11 -1.26 -4.88 116.67 113.00 2k5i s ASP 145 Ca 0.00 -0.94 -0.06 0.00 0.18 0.00 0.00 52.55 51.73 2k5i s ASP 145 Cb 0.00 -2.56 0.13 0.00 1.07 0.00 0.00 42.92 41.55 2k5i s ASP 145 CO 0.00 -2.31 0.51 0.00 1.18 0.00 0.00 175.17 174.55 2k5i s ALA 146 N 8.30 -1.60 -0.44 5.23 0.00 -1.26 -5.05 121.76 126.95 2k5i s ALA 146 Ca 0.62 1.72 0.03 0.00 0.00 0.00 0.00 51.96 54.34 2k5i s ALA 146 Cb -0.04 -1.66 0.46 0.00 0.00 0.00 0.00 23.12 21.88 2k5i s ALA 146 CO -0.04 -0.98 1.56 0.41 0.00 0.00 0.00 175.76 176.70 2k5i n GLY 147 N 5.41 6.07 3.62 0.00 0.00 -1.26 -5.01 105.19 114.02 2k5i n GLY 147 Ca -0.08 -2.41 -0.43 0.00 0.00 0.00 0.00 46.02 43.11 2k5i n GLY 147 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k5i s GLU 148 N -3.66 3.86 0.68 1.61 0.41 -1.26 -5.03 118.70 115.30 2k5i s GLU 148 Ca 0.56 0.83 0.03 0.00 -0.41 0.00 0.00 54.97 55.99 2k5i s GLU 148 Cb 0.45 -3.84 0.13 0.00 -1.78 0.00 0.00 34.13 29.08 2k5i s GLU 148 CO 0.02 -1.19 0.93 0.39 -0.49 0.00 0.00 175.26 174.92 2k5i n GLU 149 N 7.44 0.15 -2.01 1.61 1.02 -1.26 -5.01 120.64 122.59 2k5i n GLU 149 Ca 0.12 -2.88 -0.40 0.00 -0.02 0.00 0.00 57.16 53.98 2k5i n GLU 149 Cb 0.48 -0.51 -0.03 0.00 -0.02 0.00 0.00 31.44 31.36 2k5i n GLU 149 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2k5i s SER 150 N -4.91 5.42 0.39 1.62 0.15 -1.26 -4.99 113.70 110.12 2k5i s SER 150 Ca 0.65 0.68 -0.09 0.00 0.70 0.00 0.00 55.95 57.89 2k5i s SER 150 Cb -0.04 -2.53 -0.06 0.00 -1.71 0.00 0.00 66.02 61.68 2k5i s SER 150 CO 0.42 -2.19 0.73 -1.00 1.20 0.00 0.00 173.24 172.40 2k5i s HIS 151 N 8.55 3.48 0.66 3.44 3.76 -1.26 -5.05 115.29 128.86 2k5i s HIS 151 Ca 0.73 0.95 -0.18 0.00 -0.15 0.00 0.00 55.06 56.41 2k5i s HIS 151 Cb -0.16 -2.37 -0.01 0.00 1.11 0.00 0.00 32.58 31.16 2k5i s HIS 151 CO 0.25 -0.07 1.28 -1.25 -0.85 0.00 0.00 174.74 174.10 2k5i s PRO 152 N -3.86 2.51 0.00 8.40 0.04 -1.26 -5.05 135.00 135.77 2k5i s PRO 152 Ca 0.50 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.56 2k5i s PRO 152 Cb -0.10 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2k5i s PRO 152 CO 0.32 -1.62 0.00 0.00 0.04 0.00 0.00 177.00 175.74 2k5i n GLN 153 N -2.00 0.56 -3.14 4.56 0.00 -1.26 -5.05 117.38 111.06 2k5i n GLN 153 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 57.00 56.76 2k5i n GLN 153 Cb 0.48 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.67 2k5i n GLN 153 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 2k5i s LYS 154 N -1.66 4.35 1.21 2.61 2.20 -1.26 -5.08 119.74 122.11 2k5i s LYS 154 Ca 0.00 0.70 -0.20 0.00 -0.36 0.00 0.00 55.97 56.10 2k5i s LYS 154 Cb 0.00 -3.48 0.31 0.00 -1.51 0.00 0.00 37.83 33.15 2k5i s LYS 154 CO 0.00 0.01 0.94 1.47 -0.36 0.00 0.00 175.35 177.41 2k5i n LEU 155 N 4.07 0.00 -4.73 5.43 -0.00 -1.26 -4.98 117.00 115.54 2k5i n LEU 155 Ca -0.03 -0.99 -0.41 0.00 -0.00 0.00 0.00 56.01 54.58 2k5i n LEU 155 Cb 0.51 -0.92 -0.03 0.00 -0.00 0.00 0.00 43.42 42.97 2k5i n LEU 155 CO 0.45 -2.29 0.88 -1.61 -0.00 0.00 0.00 177.39 174.81 2k5i s GLU 156 N -5.17 4.48 -0.09 1.47 0.41 -1.26 -5.04 118.70 113.50 2k5i s GLU 156 Ca 0.64 1.83 0.04 0.00 -0.41 0.00 0.00 54.97 57.07 2k5i s GLU 156 Cb -0.08 -3.28 0.00 0.00 -1.78 0.00 0.00 34.13 29.00 2k5i s GLU 156 CO 0.51 -0.12 -0.22 -1.58 -0.49 0.00 0.00 175.26 173.35 2k5i s HIS 157 N 0.26 2.35 1.10 1.61 5.65 -1.26 -5.14 115.29 119.86 2k5i s HIS 157 Ca 0.54 -0.92 -0.16 0.00 0.25 0.00 0.00 55.06 54.77 2k5i s HIS 157 Cb -0.31 -1.58 0.24 0.00 -1.18 0.00 0.00 32.58 29.75 2k5i s HIS 157 CO 0.34 -0.37 1.13 -1.01 -0.65 0.00 0.00 174.74 174.18 2k5i s HIS 158 N 0.33 1.20 -0.06 3.88 3.76 -1.26 -5.07 115.29 118.08 2k5i s HIS 158 Ca -0.16 0.63 0.05 0.00 -0.15 0.00 0.00 55.06 55.43 2k5i s HIS 158 Cb -0.17 -3.46 -0.00 0.00 1.11 0.00 0.00 32.58 30.05 2k5i s HIS 158 CO 0.07 -3.38 -0.20 -1.58 -0.85 0.00 0.00 174.74 168.81 2k5i s HIS 159 N -3.11 1.99 -0.29 1.40 5.04 -1.26 -5.10 115.29 113.96 2k5i s HIS 159 Ca 0.69 -0.62 -0.29 0.00 -1.54 0.00 0.00 55.06 53.30 2k5i s HIS 159 Cb -0.12 -1.34 0.00 0.00 0.04 0.00 0.00 32.58 31.17 2k5i s HIS 159 CO 0.56 -0.22 1.30 -3.38 -2.34 0.00 0.00 174.74 170.66 2k5i s HIS 160 N 0.06 2.69 0.30 3.88 -3.43 -1.26 -4.92 115.29 112.62 2k5i s HIS 160 Ca -0.06 0.88 0.03 0.00 -0.80 0.00 0.00 55.06 55.10 2k5i s HIS 160 Cb -0.13 -3.88 0.60 0.00 -1.43 0.00 0.00 32.58 27.73 2k5i s HIS 160 CO 0.03 -1.71 1.87 1.25 -2.00 0.00 0.00 174.74 174.18 2k5i h HIS 161 N 9.24 1.05 -0.01 0.38 2.76 -2.07 -3.58 115.15 122.92 2k5i h HIS 161 Ca -0.26 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.94 2k5i h HIS 161 Cb 1.10 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.72 2k5i h HIS 161 CO 0.88 0.45 0.00 1.58 -1.30 0.00 0.00 177.93 179.54