#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 -1.36 0.00 3.17 5.02 -1.13 -4.79 118.16 119.06 2k5i n LYS 2 Ca 0.00 0.99 0.09 0.00 -2.02 0.00 0.00 58.31 57.37 2k5i n LYS 2 Cb 0.00 -1.10 0.52 0.00 -0.02 0.00 0.00 35.03 34.43 2k5i n LYS 2 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2k5i n LEU 3 N -0.42 0.00 0.00 -0.35 -0.00 -1.05 -3.22 117.00 111.96 2k5i n LEU 3 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 56.01 56.08 2k5i n LEU 3 Cb 0.00 0.00 0.38 0.00 -0.00 0.00 0.00 43.42 43.80 2k5i n LEU 3 CO 0.00 0.00 0.70 -1.54 -0.00 0.00 0.00 177.39 176.55 2k5i n SER 4 N -0.82 0.00 -0.19 1.45 3.41 -1.25 -2.91 113.62 113.31 2k5i n SER 4 Ca 0.13 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 2k5i n SER 4 Cb 0.06 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 2k5i n SER 4 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2k5i n ARG 5 N -1.27 0.00 -2.65 4.33 1.85 -1.20 -4.98 116.66 112.75 2k5i n ARG 5 Ca 0.07 -0.66 -0.35 0.00 -1.00 0.00 0.00 57.85 55.91 2k5i n ARG 5 Cb 0.11 -0.48 -0.05 0.00 -1.05 0.00 0.00 32.46 30.99 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 0.00 4.07 -0.03 2.89 2.96 -1.15 -4.94 118.68 122.47 2k5i s LEU 6 Ca 0.00 1.90 -0.28 0.00 -0.22 0.00 0.00 54.13 55.53 2k5i s LEU 6 Cb 0.00 -4.32 -0.03 0.00 0.50 0.00 0.00 46.19 42.34 2k5i s LEU 6 CO 0.00 -0.45 0.90 -0.69 -1.32 0.00 0.00 176.35 174.79 2k5i s VAL 7 N -1.84 4.91 -0.03 1.68 1.01 -1.26 -4.95 120.40 119.92 2k5i s VAL 7 Ca 0.59 1.88 -0.34 0.00 0.00 0.00 0.00 61.98 64.12 2k5i s VAL 7 Cb -0.17 -4.24 -0.12 0.00 0.00 0.00 0.00 36.38 31.85 2k5i s VAL 7 CO 0.22 0.17 1.85 -0.81 0.00 0.00 0.00 175.10 176.53 2k5i n PRO 8 N 4.01 2.28 0.00 2.72 -0.04 -1.26 -1.73 135.00 140.98 2k5i n PRO 8 Ca 0.04 0.83 0.00 0.00 -0.04 0.00 0.00 63.50 64.34 2k5i n PRO 8 Cb 0.51 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.28 2k5i n PRO 8 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k5i n GLY 9 N 4.28 1.44 3.61 0.55 0.00 0.10 -4.98 105.19 110.20 2k5i n GLY 9 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.19 4.91 -0.08 1.61 1.01 -0.70 -4.96 120.40 120.00 2k5i s VAL 10 Ca 0.00 1.05 -0.30 0.00 0.00 0.00 0.00 61.98 62.73 2k5i s VAL 10 Cb 0.00 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 2k5i s VAL 10 CO 0.00 -0.11 1.38 -2.16 0.00 0.00 0.00 175.10 174.20 2k5i s PRO 11 N 2.67 4.25 0.51 2.72 0.04 -1.26 -4.05 135.00 139.88 2k5i s PRO 11 Ca 0.28 1.86 0.01 0.00 0.04 0.00 0.00 61.00 63.18 2k5i s PRO 11 Cb -0.15 -3.73 -0.01 0.00 0.04 0.00 0.00 34.50 30.65 2k5i s PRO 11 CO 0.11 -0.67 0.01 0.00 0.04 0.00 0.00 177.00 176.49 2k5i s ALA 12 N 3.14 4.12 -0.00 8.56 0.00 0.24 -2.22 121.76 135.59 2k5i s ALA 12 Ca 0.61 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.25 2k5i s ALA 12 Cb -0.27 0.04 0.00 0.00 0.00 0.00 0.00 23.12 22.89 2k5i s ALA 12 CO 0.22 -0.03 -0.01 0.50 0.00 0.00 0.00 175.76 176.44 2k5i s ARG 13 N -3.88 0.14 0.08 0.00 3.52 0.45 -0.33 118.95 118.94 2k5i s ARG 13 Ca 0.05 -0.04 -0.31 0.00 -0.13 0.00 0.00 55.73 55.31 2k5i s ARG 13 Cb 0.01 -0.17 -0.08 0.00 -1.56 0.00 0.00 34.95 33.16 2k5i s ARG 13 CO 0.03 0.01 1.47 0.42 -0.81 0.00 0.00 175.30 176.42 2k5i s ILE 14 N 0.10 3.28 0.00 4.11 -1.09 -0.36 -1.07 121.20 126.17 2k5i s ILE 14 Ca -0.01 0.83 0.00 0.00 -2.23 0.00 0.00 60.65 59.24 2k5i s ILE 14 Cb -0.02 -3.53 0.00 0.00 -1.58 0.00 0.00 42.46 37.32 2k5i s ILE 14 CO -0.00 0.03 0.00 0.29 -1.23 0.00 0.00 174.94 174.03 2k5i n LYS 15 N 4.66 0.00 -3.99 2.79 5.02 0.75 -3.52 118.16 123.88 2k5i n LYS 15 Ca 0.13 0.02 -0.09 0.00 -2.02 0.00 0.00 58.31 56.35 2k5i n LYS 15 Cb 0.42 -0.33 -0.10 0.00 -0.02 0.00 0.00 35.03 35.00 2k5i n LYS 15 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2k5i s ARG 16 N -0.59 0.52 -0.37 1.97 1.70 -1.20 -4.56 118.95 116.42 2k5i s ARG 16 Ca 0.00 -0.86 -0.07 0.00 -0.47 0.00 0.00 55.73 54.33 2k5i s ARG 16 Cb 0.00 0.19 0.06 0.00 -0.57 0.00 0.00 34.95 34.63 2k5i s ARG 16 CO 0.00 -0.11 0.16 -0.51 -1.08 0.00 0.00 175.30 173.76 2k5i s LEU 17 N -2.20 4.67 -0.20 -1.89 1.02 -1.26 -1.44 118.68 117.38 2k5i s LEU 17 Ca -0.04 -1.35 -0.01 0.00 0.02 0.00 0.00 54.13 52.75 2k5i s LEU 17 Cb -0.01 -1.90 0.14 0.00 0.02 0.00 0.00 46.19 44.45 2k5i s LEU 17 CO -0.05 -0.41 1.97 -1.84 0.02 0.00 0.00 176.35 176.03 2k5i n GLU 18 N 4.82 1.51 -4.17 1.70 0.28 -0.08 -4.87 120.64 119.83 2k5i n GLU 18 Ca -0.11 -1.00 -0.16 0.00 -0.16 0.00 0.00 57.16 55.73 2k5i n GLU 18 Cb 0.44 -1.39 -0.13 0.00 1.43 0.00 0.00 31.44 31.79 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 -1.45 0.72 -0.10 3.84 0.11 -1.26 -4.96 120.40 117.30 2k5i s VAL 19 Ca 0.20 -0.89 0.01 0.00 -2.93 0.00 0.00 61.98 58.36 2k5i s VAL 19 Cb 0.16 -0.70 0.02 0.00 -1.53 0.00 0.00 36.38 34.33 2k5i s VAL 19 CO -0.00 -0.16 -0.09 -0.94 -3.33 0.00 0.00 175.10 170.58 2k5i s SER 20 N -1.16 2.03 0.00 3.54 1.04 -1.26 -4.81 113.70 113.07 2k5i s SER 20 Ca -0.04 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.09 2k5i s SER 20 Cb -0.08 -0.84 0.00 0.00 0.10 0.00 0.00 66.02 65.20 2k5i s SER 20 CO 0.01 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.77 2k5i n GLY 21 N 4.54 -1.43 5.69 7.32 0.00 -1.26 -4.83 105.19 115.22 2k5i n GLY 21 Ca -0.16 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.28 2k5i n GLY 21 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k5i n GLU 22 N -1.29 0.00 0.12 1.61 4.71 -1.26 -2.03 120.64 122.51 2k5i n GLU 22 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.16 57.20 2k5i n GLU 22 Cb 0.00 0.00 0.49 0.00 -1.01 0.00 0.00 31.44 30.92 2k5i n GLU 22 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2k5i h LEU 23 N 0.00 0.24 -0.90 -4.62 5.85 -1.98 -3.05 115.31 110.84 2k5i h LEU 23 Ca 0.00 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.75 2k5i h LEU 23 Cb 0.00 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 40.91 2k5i h LEU 23 CO 0.00 0.24 0.58 -0.74 -0.34 0.00 0.00 178.44 178.17 2k5i h HIS 24 N 0.27 1.07 -0.39 1.25 2.76 -1.72 -2.63 115.15 115.75 2k5i h HIS 24 Ca 0.07 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.22 2k5i h HIS 24 Cb 0.09 -0.35 -0.02 0.00 1.55 0.00 0.00 27.41 28.68 2k5i h HIS 24 CO 0.00 0.58 0.08 1.05 -1.30 0.00 0.00 177.93 178.34 2k5i h GLU 25 N 1.08 0.64 -0.07 5.26 4.11 -1.81 -2.45 114.58 121.33 2k5i h GLU 25 Ca 0.38 -0.16 -0.11 0.00 0.07 0.00 0.00 59.36 59.54 2k5i h GLU 25 Cb 0.10 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2k5i h GLU 25 CO -0.15 0.68 -0.45 1.57 0.07 0.00 0.00 179.01 180.72 2k5i h LYS 26 N 0.49 0.17 0.35 1.06 2.10 -1.67 -0.87 116.57 118.21 2k5i h LYS 26 Ca 0.12 -0.09 -0.02 0.00 -2.00 0.00 0.00 60.65 58.67 2k5i h LYS 26 Cb 0.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 2k5i h LYS 26 CO 0.00 0.60 -0.17 -0.07 -2.00 0.00 0.00 179.45 177.81 2k5i h LEU 27 N 0.14 -0.40 -1.29 7.07 3.38 -1.25 -0.64 115.31 122.32 2k5i h LEU 27 Ca 0.01 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 2k5i h LEU 27 Cb 0.86 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 2k5i h LEU 27 CO 0.07 -0.19 -0.33 -0.37 0.09 0.00 0.00 178.44 177.71 2k5i h VAL 28 N -0.59 1.25 -0.54 1.22 -1.51 -1.43 0.41 116.25 115.05 2k5i h VAL 28 Ca -0.05 -1.17 -0.05 0.00 -1.23 0.00 0.00 66.70 64.21 2k5i h VAL 28 Cb 0.44 1.60 -0.03 0.00 -2.13 0.00 0.00 31.29 31.17 2k5i h VAL 28 CO 0.08 0.34 0.14 1.23 -1.23 0.00 0.00 177.57 178.13 2k5i h GLY 29 N 1.02 0.88 1.59 5.19 0.00 -0.97 -2.96 103.07 107.81 2k5i h GLY 29 Ca 0.00 -0.49 -0.26 0.00 0.00 0.00 0.00 47.33 46.58 2k5i h GLY 29 CO 0.04 0.46 -1.13 -0.33 0.00 0.00 0.00 176.54 175.59 2k5i h MET 30 N 0.79 0.33 0.00 4.80 2.07 -0.62 -3.48 114.93 118.82 2k5i h MET 30 Ca 0.18 -0.47 0.00 0.00 -2.07 0.00 0.00 59.70 57.34 2k5i h MET 30 Cb 0.27 0.16 0.00 0.00 -1.87 0.00 0.00 31.60 30.16 2k5i h MET 30 CO -0.00 1.18 0.00 0.41 1.07 0.00 0.00 176.91 179.57 2k5i n GLY 31 N 1.31 1.39 3.54 8.32 0.00 -0.02 -5.01 105.19 114.71 2k5i n GLY 31 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.39 2.66 0.03 1.61 0.40 -0.29 -4.97 117.98 116.02 2k5i s PHE 32 Ca 0.00 -0.97 0.08 0.00 -0.60 0.00 0.00 56.93 55.43 2k5i s PHE 32 Cb 0.00 -4.62 -0.02 0.00 0.51 0.00 0.00 43.02 38.89 2k5i s PHE 32 CO 0.00 -1.84 -0.23 0.14 0.70 0.00 0.00 175.22 173.98 2k5i s VAL 33 N 4.49 1.88 -0.62 -0.44 -7.23 -1.26 -4.55 120.40 112.66 2k5i s VAL 33 Ca 0.44 -1.20 -0.26 0.00 -1.81 0.00 0.00 61.98 59.15 2k5i s VAL 33 Cb -0.01 -1.60 -0.07 0.00 0.56 0.00 0.00 36.38 35.27 2k5i s VAL 33 CO -0.09 0.36 2.21 -2.16 -0.31 0.00 0.00 175.10 175.11 2k5i s PRO 34 N -1.00 2.19 0.00 4.82 0.04 -1.26 -2.96 135.00 136.84 2k5i s PRO 34 Ca 0.09 0.85 0.00 0.00 0.04 0.00 0.00 61.00 61.98 2k5i s PRO 34 Cb -0.09 -4.62 0.00 0.00 0.04 0.00 0.00 34.50 29.83 2k5i s PRO 34 CO 0.01 -3.36 0.00 0.41 0.04 0.00 0.00 177.00 174.10 2k5i n GLY 35 N 6.16 0.61 3.85 0.56 0.00 -1.23 -5.03 105.19 110.11 2k5i n GLY 35 Ca 0.34 0.00 -0.32 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 3.79 -0.11 1.61 0.41 -1.15 -4.83 118.70 118.42 2k5i s GLU 36 Ca 0.00 0.86 -0.04 0.00 -0.41 0.00 0.00 54.97 55.39 2k5i s GLU 36 Cb 0.00 -2.11 -0.04 0.00 -1.78 0.00 0.00 34.13 30.20 2k5i s GLU 36 CO 0.00 -0.40 0.03 -1.21 -0.49 0.00 0.00 175.26 173.19 2k5i s GLU 37 N -4.56 3.23 -0.03 1.61 2.02 -1.26 -1.23 118.70 118.47 2k5i s GLU 37 Ca 0.57 -0.35 -0.01 0.00 0.02 0.00 0.00 54.97 55.19 2k5i s GLU 37 Cb -0.10 -2.93 0.02 0.00 0.10 0.00 0.00 34.13 31.23 2k5i s GLU 37 CO 0.41 0.64 0.07 -1.50 0.02 0.00 0.00 175.26 174.90 2k5i s ILE 38 N -0.69 -0.04 0.18 -1.63 2.07 0.56 -4.73 121.20 116.92 2k5i s ILE 38 Ca 0.11 0.14 0.10 0.00 -1.41 0.00 0.00 60.65 59.59 2k5i s ILE 38 Cb -0.12 -0.13 -0.04 0.00 0.13 0.00 0.00 42.46 42.30 2k5i s ILE 38 CO 0.02 0.06 -0.21 -1.83 -1.91 0.00 0.00 174.94 171.07 2k5i s GLU 39 N 0.78 1.39 -0.21 3.50 1.03 -1.25 -0.59 118.70 123.35 2k5i s GLU 39 Ca -0.06 -1.47 -0.25 0.00 0.03 0.00 0.00 54.97 53.22 2k5i s GLU 39 Cb -0.09 -1.57 -0.01 0.00 -0.80 0.00 0.00 34.13 31.66 2k5i s GLU 39 CO -0.03 0.33 0.84 0.42 -1.33 0.00 0.00 175.26 175.49 2k5i s ILE 40 N -1.89 4.84 -0.08 1.83 -1.09 -1.26 -1.42 121.20 122.13 2k5i s ILE 40 Ca 0.18 1.62 -0.19 0.00 -2.23 0.00 0.00 60.65 60.03 2k5i s ILE 40 Cb -0.07 -4.14 -0.16 0.00 -1.58 0.00 0.00 42.46 36.52 2k5i s ILE 40 CO 0.08 -0.04 0.69 0.58 -1.23 0.00 0.00 174.94 175.02 2k5i h VAL 41 N 5.33 0.97 -3.06 2.92 2.07 -0.49 0.29 116.25 124.29 2k5i h VAL 41 Ca -0.25 -1.45 -0.08 0.00 0.82 0.00 0.00 66.70 65.73 2k5i h VAL 41 Cb 1.11 1.74 -0.17 0.00 -1.52 0.00 0.00 31.29 32.45 2k5i h VAL 41 CO 0.87 0.29 -0.13 0.00 0.02 0.00 0.00 177.57 178.62 2k5i s GLN 42 N -2.75 0.90 -0.13 1.57 -2.07 -1.22 -4.55 119.66 111.41 2k5i s GLN 42 Ca -0.12 -0.37 0.01 0.00 -1.82 0.00 0.00 55.36 53.06 2k5i s GLN 42 Cb -0.01 0.40 -0.00 0.00 -1.09 0.00 0.00 33.01 32.31 2k5i s GLN 42 CO 0.45 -0.30 -0.18 0.08 -1.32 0.00 0.00 175.29 174.02 2k5i s VAL 43 N -2.43 2.54 0.56 3.63 1.01 -1.26 -1.32 120.40 123.13 2k5i s VAL 43 Ca -0.06 -0.83 -0.21 0.00 0.00 0.00 0.00 61.98 60.88 2k5i s VAL 43 Cb -0.01 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 2k5i s VAL 43 CO -0.02 0.53 1.37 0.00 0.00 0.00 0.00 175.10 176.98 2k5i n ALA 44 N 3.76 1.59 0.22 5.51 0.00 -0.63 -4.89 120.51 126.06 2k5i n ALA 44 Ca -0.19 0.12 0.15 0.00 0.00 0.00 0.00 53.44 53.51 2k5i n ALA 44 Cb 0.52 -2.36 0.79 0.00 0.00 0.00 0.00 19.45 18.40 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 1.35 0.00 -0.07 0.00 0.13 -1.90 0.14 132.00 131.65 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 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 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 -4.06 0.75 0.00 1.56 4.32 -1.26 -4.91 117.00 113.40 2k5i n LEU 46 Ca 0.00 -0.31 0.00 0.00 -0.02 0.00 0.00 56.01 55.68 2k5i n LEU 46 Cb 0.24 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.00 2k5i n LEU 46 CO 0.30 0.16 0.00 0.61 -1.22 0.00 0.00 177.39 177.24 2k5i n GLY 47 N 0.94 1.94 3.47 -0.72 0.00 0.49 -4.96 105.19 106.35 2k5i n GLY 47 Ca 0.15 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 2k5i n GLY 47 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k5i s ASP 48 N 0.00 4.10 0.14 1.61 1.11 -1.26 -4.51 116.67 117.87 2k5i s ASP 48 Ca 0.00 -0.20 0.00 0.00 0.18 0.00 0.00 52.55 52.53 2k5i s ASP 48 Cb 0.00 -1.01 0.00 0.00 1.07 0.00 0.00 42.92 42.98 2k5i s ASP 48 CO 0.00 0.32 0.00 -0.81 1.18 0.00 0.00 175.17 175.86 2k5i n PRO 49 N 2.50 1.22 -4.99 8.23 -0.04 -1.26 -4.73 135.00 135.93 2k5i n PRO 49 Ca -0.17 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.02 2k5i n PRO 49 Cb 0.52 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.83 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 0.85 1.60 -0.22 0.52 -0.00 0.37 -1.61 121.20 122.71 2k5i s ILE 50 Ca 0.00 -0.86 -0.10 0.00 -0.00 0.00 0.00 60.65 59.69 2k5i s ILE 50 Cb 0.00 -1.34 -0.05 0.00 -0.00 0.00 0.00 42.46 41.07 2k5i s ILE 50 CO 0.00 0.45 0.14 -0.69 -0.00 0.00 0.00 174.94 174.84 2k5i s VAL 51 N -0.40 5.30 0.52 8.37 1.01 -0.43 -1.30 120.40 133.47 2k5i s VAL 51 Ca 0.06 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.22 2k5i s VAL 51 Cb -0.09 -3.45 0.03 0.00 0.00 0.00 0.00 36.38 32.87 2k5i s VAL 51 CO -0.00 0.38 0.24 0.00 0.00 0.00 0.00 175.10 175.72 2k5i s LYS 53 N -4.04 1.16 -0.07 0.00 1.02 -0.51 -0.52 119.74 116.79 2k5i s LYS 53 Ca 0.18 -0.13 -0.01 0.00 0.02 0.00 0.00 55.97 56.04 2k5i s LYS 53 Cb -0.01 -1.30 0.03 0.00 -0.52 0.00 0.00 37.83 36.02 2k5i s LYS 53 CO 0.11 -0.25 -0.02 0.42 -0.92 0.00 0.00 175.35 174.70 2k5i s ILE 54 N 1.67 0.47 -1.22 2.17 1.01 -0.59 -3.85 121.20 120.86 2k5i s ILE 54 Ca 0.03 0.02 -0.03 0.00 0.00 0.00 0.00 60.65 60.67 2k5i s ILE 54 Cb -0.13 -0.58 0.00 0.00 0.01 0.00 0.00 42.46 41.77 2k5i s ILE 54 CO -0.06 0.26 0.39 0.61 0.00 0.00 0.00 174.94 176.14 2k5i n GLY 55 N 4.82 -0.25 2.54 6.18 0.00 -1.26 -2.40 105.19 114.83 2k5i n GLY 55 Ca -0.13 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.44 -5.05 -4.46 1.61 3.02 -1.26 -5.01 115.26 102.67 2k5i n ASN 56 Ca -0.10 0.32 -0.26 0.00 -0.03 0.00 0.00 54.58 54.51 2k5i n ASN 56 Cb 0.60 -3.69 -0.11 0.00 -0.61 0.00 0.00 39.78 35.98 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 -3.00 1.67 0.18 3.52 1.70 -1.01 -5.12 118.95 116.89 2k5i s ARG 57 Ca 0.00 -1.53 -0.30 0.00 -0.47 0.00 0.00 55.73 53.43 2k5i s ARG 57 Cb 0.00 -1.89 -0.08 0.00 -0.57 0.00 0.00 34.95 32.41 2k5i s ARG 57 CO 0.00 0.39 1.02 -0.80 -1.08 0.00 0.00 175.30 174.83 2k5i s ASN 58 N -2.91 7.43 -0.20 -2.89 -0.87 -1.26 -1.54 114.94 112.70 2k5i s ASN 58 Ca 0.24 1.99 0.01 0.00 -1.57 0.00 0.00 52.86 53.52 2k5i s ASN 58 Cb -0.07 -2.60 0.04 0.00 -0.02 0.00 0.00 41.25 38.59 2k5i s ASN 58 CO 0.12 -0.08 -0.12 -0.63 -2.57 0.00 0.00 177.10 173.83 2k5i s ILE 59 N -0.48 1.71 -0.42 0.60 -1.09 0.32 -4.91 121.20 116.93 2k5i s ILE 59 Ca 0.46 -1.00 -0.23 0.00 -2.23 0.00 0.00 60.65 57.65 2k5i s ILE 59 Cb -0.27 -1.74 0.02 0.00 -1.58 0.00 0.00 42.46 38.88 2k5i s ILE 59 CO 0.33 0.23 0.78 -0.89 -1.23 0.00 0.00 174.94 174.16 2k5i s THR 60 N 1.37 4.68 0.07 2.92 2.01 -1.26 -0.13 115.64 125.30 2k5i s THR 60 Ca -0.00 0.60 0.10 0.00 0.31 0.00 0.00 61.69 62.69 2k5i s THR 60 Cb -0.16 -4.28 -0.03 0.00 0.01 0.00 0.00 72.50 68.04 2k5i s THR 60 CO -0.09 -0.61 -0.26 -0.76 -0.69 0.00 0.00 174.62 172.21 2k5i s LEU 61 N 3.22 2.21 0.56 4.42 1.43 -0.42 -4.99 118.68 125.10 2k5i s LEU 61 Ca 0.30 -0.63 0.09 0.00 -1.03 0.00 0.00 54.13 52.87 2k5i s LEU 61 Cb -0.12 -1.25 0.08 0.00 0.03 0.00 0.00 46.19 44.93 2k5i s LEU 61 CO 0.21 0.23 0.77 -0.13 0.23 0.00 0.00 176.35 177.66 2k5i s ARG 62 N -1.44 2.34 0.19 1.70 0.52 -1.26 -0.48 118.95 120.52 2k5i s ARG 62 Ca 0.12 -1.57 -0.12 0.00 -0.52 0.00 0.00 55.73 53.64 2k5i s ARG 62 Cb -0.10 -2.65 0.14 0.00 0.52 0.00 0.00 34.95 32.86 2k5i s ARG 62 CO 0.03 -0.81 1.82 0.87 0.02 0.00 0.00 175.30 177.23 2k5i h LYS 63 N 0.20 0.66 0.00 3.54 1.79 -1.96 0.15 116.57 120.95 2k5i h LYS 63 Ca -0.31 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.11 2k5i h LYS 63 Cb 1.29 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 31.79 2k5i h LYS 63 CO 0.41 0.43 -0.03 0.07 -1.08 0.00 0.00 179.45 179.26 2k5i h ARG 64 N 0.67 0.00 0.00 3.15 0.11 -1.99 -0.69 114.38 115.63 2k5i h ARG 64 Ca 0.24 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.32 2k5i h ARG 64 Cb 0.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.13 2k5i h ARG 64 CO -0.11 0.03 -0.20 0.93 0.10 0.00 0.00 179.97 180.72 2k5i h GLU 65 N 0.00 0.00 -0.96 0.08 3.07 -1.74 -3.42 114.58 111.62 2k5i h GLU 65 Ca -0.00 0.00 0.19 0.00 -0.50 0.00 0.00 59.36 59.05 2k5i h GLU 65 Cb 0.19 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.01 2k5i h GLU 65 CO 0.00 0.00 0.61 0.00 -1.40 0.00 0.00 179.01 178.22 2k5i h ALA 66 N -1.21 1.92 0.00 3.43 0.00 -0.59 -0.46 119.26 122.34 2k5i h ALA 66 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2k5i h ALA 66 Cb 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2k5i h ALA 66 CO 0.00 -0.24 0.00 -3.47 0.00 0.00 0.00 179.25 175.54 2k5i n ASP 67 N -4.62 0.00 -0.88 0.00 2.03 -0.28 -1.84 116.55 110.95 2k5i n ASP 67 Ca 0.21 0.15 0.11 0.00 0.52 0.00 0.00 54.79 55.78 2k5i n ASP 67 Cb 0.61 -0.33 0.09 0.00 -0.72 0.00 0.00 41.12 40.77 2k5i n ASP 67 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2k5i n LEU 68 N -1.33 2.84 -4.19 -2.67 7.99 -0.18 -4.87 117.00 114.58 2k5i n LEU 68 Ca 0.07 -0.98 -0.34 0.00 -0.01 0.00 0.00 56.01 54.75 2k5i n LEU 68 Cb 0.14 0.00 -0.14 0.00 -0.11 0.00 0.00 43.42 43.31 2k5i n LEU 68 CO 0.13 0.48 -0.40 -0.63 -1.51 0.00 0.00 177.39 175.46 2k5i s ILE 69 N -1.97 2.89 -0.41 -0.08 1.09 -0.77 -0.90 121.20 121.05 2k5i s ILE 69 Ca 0.26 -1.09 -0.23 0.00 -1.10 0.00 0.00 60.65 58.49 2k5i s ILE 69 Cb 0.19 -2.50 0.02 0.00 -1.06 0.00 0.00 42.46 39.11 2k5i s ILE 69 CO 0.31 0.15 0.79 -0.70 -0.10 0.00 0.00 174.94 175.39 2k5i s GLU 70 N 1.31 3.56 0.13 2.79 2.56 -0.52 -2.51 118.70 126.01 2k5i s GLU 70 Ca -0.01 0.08 0.09 0.00 0.00 0.00 0.00 54.97 55.13 2k5i s GLU 70 Cb -0.17 -3.88 -0.04 0.00 2.00 0.00 0.00 34.13 32.04 2k5i s GLU 70 CO -0.04 -1.00 -0.19 0.14 -0.56 0.00 0.00 175.26 173.61 2k5i s VAL 71 N 3.22 2.75 0.15 3.70 -7.23 -1.26 -0.17 120.40 121.54 2k5i s VAL 71 Ca 0.31 -1.60 0.11 0.00 -1.81 0.00 0.00 61.98 58.99 2k5i s VAL 71 Cb -0.12 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 2k5i s VAL 71 CO 0.20 0.07 -0.26 -0.70 -0.31 0.00 0.00 175.10 174.10 2k5i s GLU 72 N -2.22 1.42 0.02 4.82 2.56 -0.23 -1.81 118.70 123.25 2k5i s GLU 72 Ca 0.18 -1.39 -0.30 0.00 0.00 0.00 0.00 54.97 53.46 2k5i s GLU 72 Cb -0.10 -1.86 -0.04 0.00 2.00 0.00 0.00 34.13 34.12 2k5i s GLU 72 CO 0.10 0.43 1.14 0.08 -0.56 0.00 0.00 175.26 176.45 2k5i s VAL 73 N -1.23 4.30 -0.53 3.70 1.01 -1.26 -0.41 120.40 125.98 2k5i s VAL 73 Ca 0.15 1.65 0.24 0.00 0.00 0.00 0.00 61.98 64.02 2k5i s VAL 73 Cb -0.09 -4.06 0.21 0.00 0.00 0.00 0.00 36.38 32.44 2k5i s VAL 73 CO 0.07 0.10 1.51 0.58 0.00 0.00 0.00 175.10 177.36 2k5i h VAL 74 N 4.69 0.00 -1.74 2.92 2.07 -1.77 -3.47 116.25 118.95 2k5i h VAL 74 Ca -0.40 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.37 2k5i h VAL 74 Cb 1.20 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 2k5i h VAL 74 CO 0.81 0.00 0.00 0.61 0.02 0.00 0.00 177.57 179.01 2k5i n GLY 75 N 1.22 -1.26 0.06 2.17 0.00 -1.26 -5.02 105.19 101.10 2k5i n GLY 75 Ca 0.04 -1.63 0.08 0.00 0.00 0.00 0.00 46.02 44.51 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 4.62 -0.54 3.30 -0.02 0.00 -1.26 -5.00 105.19 106.29 2k5i n GLY 76 Ca 0.00 -0.50 -0.16 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.56 1.20 -0.03 1.61 1.03 -1.26 -4.78 118.70 113.91 2k5i s GLU 77 Ca 0.08 -1.55 -0.09 0.00 0.03 0.00 0.00 54.97 53.44 2k5i s GLU 77 Cb 0.13 -0.75 0.01 0.00 -0.80 0.00 0.00 34.13 32.73 2k5i s GLU 77 CO 0.68 0.06 0.20 -0.48 -1.33 0.00 0.00 175.26 174.38 2k5i s LEU 78 N -3.24 1.29 0.56 1.83 2.34 -0.42 -4.99 118.68 116.04 2k5i s LEU 78 Ca 0.21 0.07 -0.21 0.00 0.06 0.00 0.00 54.13 54.27 2k5i s LEU 78 Cb 0.03 0.81 -0.05 0.00 -0.56 0.00 0.00 46.19 46.42 2k5i s LEU 78 CO 0.04 -0.28 1.27 -2.16 -1.06 0.00 0.00 176.35 174.16 2k5i s PRO 79 N -0.85 3.14 0.40 1.48 0.04 -1.26 -0.38 135.00 137.56 2k5i s PRO 79 Ca -0.09 2.00 0.10 0.00 0.04 0.00 0.00 61.00 63.04 2k5i s PRO 79 Cb -0.05 -2.14 0.88 0.00 0.04 0.00 0.00 34.50 33.23 2k5i s PRO 79 CO 0.02 -1.12 1.97 1.25 0.04 0.00 0.00 177.00 179.15 2k5i h LEU 80 N 1.29 0.52 -1.70 -3.56 7.12 0.39 0.21 115.31 119.59 2k5i h LEU 80 Ca -0.50 0.01 -0.04 0.00 0.13 0.00 0.00 57.88 57.48 2k5i h LEU 80 Cb 1.29 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 41.31 2k5i h LEU 80 CO 0.57 0.33 -0.18 -0.29 -0.13 0.00 0.00 178.44 178.73 2k5i h ILE 81 N 0.59 0.77 -0.60 4.05 6.09 -1.39 -2.55 117.51 124.47 2k5i h ILE 81 Ca 0.30 -0.71 0.00 0.00 -1.37 0.00 0.00 64.86 63.08 2k5i h ILE 81 Cb 0.40 1.43 0.00 0.00 0.47 0.00 0.00 36.82 39.12 2k5i h ILE 81 CO -0.10 0.18 0.00 0.18 -3.07 0.00 0.00 178.15 175.34 2k5i n LEU 82 N -3.81 4.41 -4.60 2.19 4.77 0.04 -4.95 117.00 115.05 2k5i n LEU 82 Ca -0.02 -2.38 -0.43 0.00 -0.03 0.00 0.00 56.01 53.15 2k5i n LEU 82 Cb 0.28 -0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 40.82 2k5i n LEU 82 CO 0.33 0.82 1.39 0.00 -1.33 0.00 0.00 177.39 178.60 2k5i s ALA 83 N -1.72 2.99 0.26 -1.18 0.00 -0.96 -4.91 121.76 116.25 2k5i s ALA 83 Ca 0.47 0.12 -0.30 0.00 0.00 0.00 0.00 51.96 52.26 2k5i s ALA 83 Cb 0.30 -3.96 -0.14 0.00 0.00 0.00 0.00 23.12 19.31 2k5i s ALA 83 CO 0.24 -2.44 1.13 -3.47 0.00 0.00 0.00 175.76 171.22 2k5i n ASP 84 N 9.46 1.69 -4.49 0.00 -0.08 -1.26 -4.74 116.55 117.13 2k5i n ASP 84 Ca 0.20 1.17 -0.45 0.00 -1.51 0.00 0.00 54.79 54.20 2k5i n ASP 84 Cb 0.47 -1.32 -0.07 0.00 2.34 0.00 0.00 41.12 42.54 2k5i n ASP 84 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2k5i n ASP 85 N 1.48 1.92 0.00 1.67 2.03 -1.26 -4.69 116.55 117.70 2k5i n ASP 85 Ca 0.10 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.54 2k5i n ASP 85 Cb 0.31 -1.30 0.00 0.00 -0.72 0.00 0.00 41.12 39.41 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 6.37 -0.87 3.24 0.27 0.00 -1.20 -5.03 105.19 107.97 2k5i n GLY 86 Ca 0.44 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 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 -4.00 2.02 0.38 2.61 2.01 -1.26 -0.38 115.64 117.01 2k5i s THR 87 Ca 0.00 -1.02 0.03 0.00 0.31 0.00 0.00 61.69 61.01 2k5i s THR 87 Cb 0.00 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.75 2k5i s THR 87 CO 0.00 0.56 0.10 -0.31 -0.69 0.00 0.00 174.62 174.27 2k5i s TYR 88 N 0.07 1.84 -0.09 4.92 1.51 -0.28 -1.23 117.35 124.09 2k5i s TYR 88 Ca -0.10 -1.15 0.02 0.00 -1.01 0.00 0.00 57.07 54.83 2k5i s TYR 88 Cb -0.15 -1.21 0.01 0.00 -0.11 0.00 0.00 41.96 40.49 2k5i s TYR 88 CO 0.06 -0.17 -0.16 -2.00 -1.11 0.00 0.00 175.55 172.17 2k5i s GLU 89 N -3.80 2.16 -0.18 -0.62 2.12 0.62 0.11 118.70 119.12 2k5i s GLU 89 Ca 0.28 -0.56 -0.29 0.00 0.36 0.00 0.00 54.97 54.76 2k5i s GLU 89 Cb 0.05 -1.77 -0.03 0.00 0.26 0.00 0.00 34.13 32.63 2k5i s GLU 89 CO 0.14 0.01 1.65 -1.50 -0.54 0.00 0.00 175.26 175.03 2k5i s ILE 90 N 0.75 3.64 -0.23 -3.70 2.07 -0.64 -0.57 121.20 122.52 2k5i s ILE 90 Ca -0.12 0.73 0.00 0.00 -1.41 0.00 0.00 60.65 59.86 2k5i s ILE 90 Cb -0.16 -3.61 -0.15 0.00 0.13 0.00 0.00 42.46 38.68 2k5i s ILE 90 CO 0.02 -0.22 -0.21 1.07 -1.91 0.00 0.00 174.94 173.69 2k5i n THR 91 N 6.22 1.31 -3.71 4.00 5.66 -0.05 -1.19 114.28 126.53 2k5i n THR 91 Ca 0.19 -0.49 -0.14 0.00 -3.05 0.00 0.00 64.05 60.56 2k5i n THR 91 Cb 0.45 -1.36 -0.08 0.00 -1.55 0.00 0.00 70.33 67.78 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 -2.46 0.70 0.19 1.09 -2.85 -1.11 -4.88 119.74 110.42 2k5i s LYS 92 Ca -0.31 0.09 0.08 0.00 -1.00 0.00 0.00 55.97 54.83 2k5i s LYS 92 Cb 0.08 0.32 -0.04 0.00 -2.06 0.00 0.00 37.83 36.14 2k5i s LYS 92 CO 0.52 -0.18 0.00 -0.51 0.10 0.00 0.00 175.35 175.28 2k5i s LEU 93 N -0.91 3.30 -0.27 2.77 2.01 -1.26 -1.43 118.68 122.88 2k5i s LEU 93 Ca -0.10 -0.43 -0.00 0.00 0.01 0.00 0.00 54.13 53.61 2k5i s LEU 93 Cb -0.04 -1.93 0.08 0.00 0.01 0.00 0.00 46.19 44.31 2k5i s LEU 93 CO 0.04 0.08 0.04 0.20 1.01 0.00 0.00 176.35 177.72 2k5i s ASN 94 N -3.05 3.82 0.00 2.29 0.01 -0.69 -4.99 114.94 112.33 2k5i s ASN 94 Ca 0.28 -1.39 0.00 0.00 -0.71 0.00 0.00 52.86 51.04 2k5i s ASN 94 Cb -0.09 -0.98 0.00 0.00 0.41 0.00 0.00 41.25 40.60 2k5i s ASN 94 CO 0.19 -0.34 0.00 0.61 -1.51 0.00 0.00 177.10 176.05 2k5i n GLY 95 N 4.78 -0.28 0.00 0.66 0.00 -1.26 -4.81 105.19 104.28 2k5i n GLY 95 Ca -0.06 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.42 2k5i n GLY 95 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k5i n GLY 96 N 0.00 3.96 6.22 -0.02 0.00 -1.26 -5.00 105.19 109.09 2k5i n GLY 96 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2k5i n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k5i n ARG 97 N -0.80 0.00 -0.12 1.61 1.74 -1.26 -1.96 116.66 115.87 2k5i n ARG 97 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 2k5i n ARG 97 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 2k5i n ARG 97 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2k5i h ARG 98 N 0.00 0.52 -0.15 5.56 3.08 -1.98 0.31 114.38 121.71 2k5i h ARG 98 Ca 0.00 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.03 2k5i h ARG 98 Cb 0.00 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 2k5i h ARG 98 CO 0.00 0.42 -0.12 0.35 -1.07 0.00 0.00 179.97 179.55 2k5i h PHE 99 N 0.48 -0.29 -0.64 3.04 3.57 -1.79 -1.87 116.94 119.44 2k5i h PHE 99 Ca 0.13 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 2k5i h PHE 99 Cb 0.05 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 2k5i h PHE 99 CO -0.03 -0.18 0.23 -0.07 -2.23 0.00 0.00 178.31 176.03 2k5i h LEU 100 N -0.13 0.91 -0.80 0.59 3.38 -1.65 -2.80 115.31 114.81 2k5i h LEU 100 Ca 0.10 -0.19 0.11 0.00 0.09 0.00 0.00 57.88 57.99 2k5i h LEU 100 Cb 0.27 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 40.70 2k5i h LEU 100 CO -0.23 0.85 0.43 0.15 0.09 0.00 0.00 178.44 179.73 2k5i h PHE 101 N 0.91 0.77 0.68 1.13 3.57 -0.53 0.16 116.94 123.63 2k5i h PHE 101 Ca 0.21 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 2k5i h PHE 101 Cb 0.25 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 2k5i h PHE 101 CO 0.02 0.27 -0.48 0.00 -2.23 0.00 0.00 178.31 175.88 2k5i h ARG 102 N 0.69 -1.07 -0.53 1.11 2.47 -1.09 -2.75 114.38 113.22 2k5i h ARG 102 Ca 0.41 0.07 0.09 0.00 -1.26 0.00 0.00 59.98 59.29 2k5i h ARG 102 Cb 0.46 0.24 -0.03 0.00 -1.65 0.00 0.00 29.97 28.99 2k5i h ARG 102 CO -0.29 -0.71 0.36 0.52 0.56 0.00 0.00 179.97 180.41 2k5i h MET 103 N -1.11 0.32 -0.41 0.04 2.86 -1.30 -1.04 114.93 114.28 2k5i h MET 103 Ca -0.09 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.56 2k5i h MET 103 Cb 0.91 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.47 2k5i h MET 103 CO 0.05 0.21 0.21 0.87 1.06 0.00 0.00 176.91 179.31 2k5i h LYS 104 N 0.32 0.42 0.00 1.72 1.57 -0.76 -0.19 116.57 119.65 2k5i h LYS 104 Ca 0.24 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.89 2k5i h LYS 104 Cb 0.54 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 2k5i h LYS 104 CO -0.06 0.28 -0.54 -0.91 -0.57 0.00 0.00 179.45 177.66 2k5i h ASN 105 N 0.43 0.00 0.80 0.86 2.35 -0.93 -2.95 115.58 116.14 2k5i h ASN 105 Ca 0.17 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.78 2k5i h ASN 105 Cb 0.07 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 2k5i h ASN 105 CO -0.11 0.54 -0.68 -0.07 -1.65 0.00 0.00 177.43 175.45 2k5i h LEU 106 N 0.00 0.00 0.00 1.61 -0.00 -1.05 -3.48 115.31 112.39 2k5i h LEU 106 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2k5i h LEU 106 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.72 2k5i h LEU 106 CO 0.07 0.68 0.00 0.61 -0.00 0.00 0.00 178.44 179.80 2k5i n GLY 107 N 0.60 1.27 3.44 0.83 0.00 -0.14 -4.80 105.19 106.39 2k5i n GLY 107 Ca -0.01 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 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 3.13 -0.10 -0.61 -0.00 -0.84 -4.61 119.36 116.32 2k5i n ILE 108 Ca 0.00 -3.17 -0.17 0.00 -0.00 0.00 0.00 62.75 59.41 2k5i n ILE 108 Cb 0.00 -2.33 -0.07 0.00 -0.00 0.00 0.00 39.64 37.25 2k5i n ILE 108 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 176.55 174.71 2k5i n GLU 109 N 7.98 0.54 0.00 6.28 0.28 -1.26 -4.28 120.64 130.18 2k5i n GLU 109 Ca 0.48 0.37 0.00 0.00 -0.16 0.00 0.00 57.16 57.85 2k5i n GLU 109 Cb 0.45 -1.57 0.00 0.00 1.43 0.00 0.00 31.44 31.75 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 -4.42 0.00 0.00 -1.84 2.88 -1.26 -4.96 113.62 104.02 2k5i n SER 110 Ca -0.29 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.25 2k5i n SER 110 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 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 -0.25 0.23 3.79 0.46 0.00 -0.33 -4.96 105.19 104.12 2k5i n GLY 111 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.97 4.47 -0.27 1.61 -0.14 -1.26 -4.82 119.74 118.35 2k5i s LYS 112 Ca 0.00 1.05 -0.23 0.00 -1.36 0.00 0.00 55.97 55.43 2k5i s LYS 112 Cb 0.00 -3.25 -0.01 0.00 -1.68 0.00 0.00 37.83 32.90 2k5i s LYS 112 CO 0.00 0.59 0.76 0.15 -0.76 0.00 0.00 175.35 176.09 2k5i s LYS 113 N -1.16 4.07 -0.26 1.68 3.01 -1.26 -1.62 119.74 124.21 2k5i s LYS 113 Ca 0.34 0.69 -0.10 0.00 -1.01 0.00 0.00 55.97 55.90 2k5i s LYS 113 Cb -0.22 -3.68 -0.05 0.00 -1.01 0.00 0.00 37.83 32.87 2k5i s LYS 113 CO 0.24 -0.55 0.16 -1.50 0.51 0.00 0.00 175.35 174.21 2k5i s ILE 114 N 2.80 5.15 -0.39 2.17 1.10 0.12 -4.39 121.20 127.75 2k5i s ILE 114 Ca 0.31 0.11 -0.26 0.00 -0.51 0.00 0.00 60.65 60.30 2k5i s ILE 114 Cb -0.15 -3.42 0.02 0.00 0.15 0.00 0.00 42.46 39.06 2k5i s ILE 114 CO 0.10 0.30 0.97 -1.10 -2.11 0.00 0.00 174.94 173.10 2k5i s GLN 115 N 1.45 3.79 -0.30 3.50 1.11 0.44 -1.13 119.66 128.52 2k5i s GLN 115 Ca 0.07 0.55 -0.18 0.00 0.01 0.00 0.00 55.36 55.80 2k5i s GLN 115 Cb -0.15 -3.83 -0.01 0.00 -1.01 0.00 0.00 33.01 28.00 2k5i s GLN 115 CO 0.07 -1.05 0.54 0.08 0.01 0.00 0.00 175.29 174.94 2k5i s VAL 116 N 3.67 5.02 -0.53 1.09 1.01 0.49 -0.41 120.40 130.74 2k5i s VAL 116 Ca 0.40 0.68 0.04 0.00 0.00 0.00 0.00 61.98 63.09 2k5i s VAL 116 Cb -0.11 -3.91 0.15 0.00 0.00 0.00 0.00 36.38 32.51 2k5i s VAL 116 CO 0.21 -0.07 0.33 -0.44 0.00 0.00 0.00 175.10 175.13 2k5i s SER 117 N 1.65 3.81 0.47 3.32 0.01 -0.16 -3.20 113.70 119.60 2k5i s SER 117 Ca 0.21 -3.12 0.00 0.00 1.31 0.00 0.00 55.95 54.35 2k5i s SER 117 Cb -0.15 -1.24 0.00 0.00 0.21 0.00 0.00 66.02 64.84 2k5i s SER 117 CO 0.11 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.18 2k5i n GLY 118 N 2.91 0.26 0.00 3.44 0.00 -1.26 -1.53 105.19 109.01 2k5i n GLY 118 Ca 0.14 0.66 0.09 0.00 0.00 0.00 0.00 46.02 46.91 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 0.60 -4.24 1.61 5.12 -1.26 -4.98 116.66 113.51 2k5i n ARG 119 Ca 0.00 -0.01 -0.15 0.00 -1.93 0.00 0.00 57.85 55.76 2k5i n ARG 119 Cb 0.00 -1.42 -0.10 0.00 -1.16 0.00 0.00 32.46 29.78 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 -2.85 1.03 0.16 5.56 3.03 -0.58 -5.02 118.95 120.27 2k5i s ARG 120 Ca 0.07 -1.39 0.06 0.00 2.03 0.00 0.00 55.73 56.50 2k5i s ARG 120 Cb 0.15 -0.65 -0.04 0.00 -1.03 0.00 0.00 34.95 33.37 2k5i s ARG 120 CO 0.80 0.09 -0.13 0.71 -1.13 0.00 0.00 175.30 175.64 2k5i s TYR 121 N -3.06 1.47 -0.04 5.89 2.02 -1.26 -0.98 117.35 121.39 2k5i s TYR 121 Ca 0.14 -0.64 0.01 0.00 -0.37 0.00 0.00 57.07 56.21 2k5i s TYR 121 Cb 0.01 -0.72 0.02 0.00 -0.40 0.00 0.00 41.96 40.87 2k5i s TYR 121 CO 0.01 0.20 -0.03 0.71 -1.57 0.00 0.00 175.55 174.87 2k5i s TYR 122 N -2.90 0.57 -0.51 2.71 2.02 0.45 -0.23 117.35 119.47 2k5i s TYR 122 Ca 0.17 -0.12 -0.07 0.00 -0.37 0.00 0.00 57.07 56.68 2k5i s TYR 122 Cb -0.01 -0.57 0.13 0.00 -0.40 0.00 0.00 41.96 41.12 2k5i s TYR 122 CO 0.03 -0.17 0.36 0.42 -1.57 0.00 0.00 175.55 174.62 2k5i s ILE 123 N 0.98 3.98 -0.37 2.71 -1.09 0.64 -0.42 121.20 127.63 2k5i s ILE 123 Ca -0.10 -2.13 0.00 0.00 -2.23 0.00 0.00 60.65 56.19 2k5i s ILE 123 Cb -0.14 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.11 2k5i s ILE 123 CO -0.01 -0.79 0.00 -1.84 -1.23 0.00 0.00 174.94 171.07 2k5i n GLU 124 N 4.49 -2.22 0.00 2.79 0.28 -1.26 -1.13 120.64 123.59 2k5i n GLU 124 Ca -0.02 0.21 0.00 0.00 -0.16 0.00 0.00 57.16 57.19 2k5i n GLU 124 Cb 0.41 -4.60 0.00 0.00 1.43 0.00 0.00 31.44 28.68 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 -0.43 4.24 3.73 -1.84 0.00 -1.26 -5.12 105.19 104.50 2k5i n GLY 125 Ca -0.05 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 2k5i n GLY 125 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k5i s ARG 126 N 0.00 4.61 -0.18 1.61 6.06 -0.28 -5.04 118.95 125.73 2k5i s ARG 126 Ca 0.00 1.56 -0.21 0.00 -2.50 0.00 0.00 55.73 54.58 2k5i s ARG 126 Cb 0.00 -3.36 -0.03 0.00 0.06 0.00 0.00 34.95 31.62 2k5i s ARG 126 CO 0.00 0.07 0.65 -2.00 -2.50 0.00 0.00 175.30 171.52 2k5i s GLU 127 N 0.22 4.25 0.13 5.12 2.12 -1.26 -0.26 118.70 129.01 2k5i s GLU 127 Ca 0.50 0.68 -0.21 0.00 0.36 0.00 0.00 54.97 56.30 2k5i s GLU 127 Cb -0.25 -3.56 -0.07 0.00 0.26 0.00 0.00 34.13 30.50 2k5i s GLU 127 CO 0.31 -0.21 0.66 0.42 -0.54 0.00 0.00 175.26 175.90 2k5i s ILE 128 N 1.79 4.60 -0.45 -3.70 -1.09 0.68 -4.98 121.20 118.05 2k5i s ILE 128 Ca 0.30 1.37 0.16 0.00 -2.23 0.00 0.00 60.65 60.25 2k5i s ILE 128 Cb -0.16 -3.96 0.69 0.00 -1.58 0.00 0.00 42.46 37.44 2k5i s ILE 128 CO 0.11 0.48 1.60 0.47 -1.23 0.00 0.00 174.94 176.38 2k5i n ASP 129 N 1.50 4.83 -4.59 3.58 9.92 -1.26 -4.07 116.55 126.46 2k5i n ASP 129 Ca -0.07 -2.81 -0.45 0.00 -0.53 0.00 0.00 54.79 50.93 2k5i n ASP 129 Cb 0.50 -0.60 -0.04 0.00 -0.64 0.00 0.00 41.12 40.35 2k5i n ASP 129 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2k5i n LEU 130 N 0.38 3.21 -4.39 0.64 4.77 -1.26 -4.90 117.00 115.45 2k5i n LEU 130 Ca 0.25 0.39 -0.45 0.00 -0.03 0.00 0.00 56.01 56.17 2k5i n LEU 130 Cb 1.00 -1.49 -0.00 0.00 -2.33 0.00 0.00 43.42 40.60 2k5i n LEU 130 CO 0.24 -0.53 1.01 -0.83 -1.33 0.00 0.00 177.39 175.95 2k5i s GLY 131 N 7.32 2.91 0.00 -0.72 0.00 -1.26 -4.71 107.32 110.87 2k5i s GLY 131 Ca 1.00 -3.65 0.00 0.00 0.00 0.00 0.00 44.72 42.07 2k5i s GLY 131 CO 0.40 1.60 0.00 2.98 0.00 0.00 0.00 173.10 178.08 2k5i n TYR 132 N 3.84 0.00 0.02 1.90 9.36 -1.26 -3.65 117.16 127.37 2k5i n TYR 132 Ca 0.28 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.65 2k5i n TYR 132 Cb 0.41 0.00 0.60 0.00 -0.63 0.00 0.00 39.34 39.72 2k5i n TYR 132 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 2k5i h GLY 133 N 0.00 0.24 0.72 2.98 0.00 -2.01 -0.74 103.07 104.26 2k5i h GLY 133 Ca 0.00 -0.07 -0.14 0.00 0.00 0.00 0.00 47.33 47.12 2k5i h GLY 133 CO 0.00 0.04 -0.53 0.83 0.00 0.00 0.00 176.54 176.88 2k5i h GLU 134 N 0.17 0.36 0.00 4.80 5.08 -1.92 -3.33 114.58 119.74 2k5i h GLU 134 Ca 0.21 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2k5i h GLU 134 Cb 0.61 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2k5i h GLU 134 CO -0.03 1.07 0.00 0.00 -1.00 0.00 0.00 179.01 179.05 2k5i n ALA 135 N -2.58 1.52 0.76 3.43 0.00 -0.35 -1.52 120.51 121.78 2k5i n ALA 135 Ca -0.10 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.52 2k5i n ALA 135 Cb 0.64 -1.30 0.29 0.00 0.00 0.00 0.00 19.45 19.08 2k5i n ALA 135 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2k5i n THR 136 N -1.97 0.24 0.06 0.00 5.66 -0.81 -1.12 114.28 116.33 2k5i n THR 136 Ca 0.02 -0.16 0.09 0.00 -3.05 0.00 0.00 64.05 60.95 2k5i n THR 136 Cb 0.17 -0.14 -0.06 0.00 -1.55 0.00 0.00 70.33 68.74 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 -1.87 0.63 -3.13 1.09 5.02 -0.57 -4.82 118.16 114.51 2k5i n LYS 137 Ca 0.05 0.04 -0.40 0.00 -2.02 0.00 0.00 58.31 55.98 2k5i n LYS 137 Cb 0.39 -1.73 -0.06 0.00 -0.02 0.00 0.00 35.03 33.62 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 -3.32 5.05 -0.17 -0.18 1.09 -1.22 -1.70 121.20 120.75 2k5i s ILE 138 Ca -0.03 1.21 -0.04 0.00 -1.10 0.00 0.00 60.65 60.68 2k5i s ILE 138 Cb 0.11 -3.95 -0.03 0.00 -1.06 0.00 0.00 42.46 37.53 2k5i s ILE 138 CO 0.83 0.16 -0.02 0.26 -0.10 0.00 0.00 174.94 176.07 2k5i s TRP 139 N 1.54 3.04 0.34 3.97 0.52 -0.52 -0.12 118.94 127.72 2k5i s TRP 139 Ca 0.30 -0.31 0.08 0.00 0.02 0.00 0.00 56.10 56.18 2k5i s TRP 139 Cb -0.16 -1.99 -0.07 0.00 -1.15 0.00 0.00 33.47 30.10 2k5i s TRP 139 CO 0.12 -0.07 -0.05 0.14 0.02 0.00 0.00 176.95 177.10 2k5i s VAL 140 N 0.50 1.95 0.07 4.03 -7.23 0.48 -0.87 120.40 119.34 2k5i s VAL 140 Ca -0.02 -2.13 0.06 0.00 -1.81 0.00 0.00 61.98 58.08 2k5i s VAL 140 Cb -0.14 -2.68 -0.03 0.00 0.56 0.00 0.00 36.38 34.09 2k5i s VAL 140 CO 0.02 -0.17 -0.17 -0.13 -0.31 0.00 0.00 175.10 174.35 2k5i s ARG 141 N -3.68 0.99 0.14 4.82 0.52 0.26 -1.31 118.95 120.69 2k5i s ARG 141 Ca 0.33 -0.95 -0.31 0.00 -0.52 0.00 0.00 55.73 54.28 2k5i s ARG 141 Cb 0.05 -1.07 -0.08 0.00 0.52 0.00 0.00 34.95 34.36 2k5i s ARG 141 CO 0.16 0.25 1.41 0.50 0.02 0.00 0.00 175.30 177.63 2k5i s ARG 142 N -1.55 4.31 0.00 3.54 6.06 -1.26 -0.27 118.95 129.77 2k5i s ARG 142 Ca 0.02 2.13 0.00 0.00 -2.50 0.00 0.00 55.73 55.38 2k5i s ARG 142 Cb -0.09 -3.22 0.00 0.00 0.06 0.00 0.00 34.95 31.70 2k5i s ARG 142 CO 0.02 -0.43 0.00 1.33 -2.50 0.00 0.00 175.30 173.72 2k5i n VAL 143 N 3.66 0.00 -2.05 7.11 0.24 -0.36 -4.86 118.33 122.07 2k5i n VAL 143 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.41 2k5i n VAL 143 Cb 0.42 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.79 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 -1.19 0.10 -4.56 -1.34 2.88 -1.26 -4.56 113.62 103.69 2k5i n SER 144 Ca 0.00 -1.94 -0.41 0.00 -1.33 0.00 0.00 58.87 55.19 2k5i n SER 144 Cb 0.00 -0.19 -0.03 0.00 -0.75 0.00 0.00 64.21 63.24 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 -1.04 6.44 -0.80 -3.46 1.01 -1.26 -4.92 116.67 112.63 2k5i s ASP 145 Ca 0.04 -1.26 -0.05 0.00 0.71 0.00 0.00 52.55 51.99 2k5i s ASP 145 Cb 0.04 -2.57 0.20 0.00 1.01 0.00 0.00 42.92 41.61 2k5i s ASP 145 CO -0.02 -1.57 0.68 0.00 0.21 0.00 0.00 175.17 174.47 2k5i s ALA 146 N 5.12 4.01 -0.38 5.23 0.00 -1.26 -4.92 121.76 129.55 2k5i s ALA 146 Ca 0.44 -3.54 0.10 0.00 0.00 0.00 0.00 51.96 48.95 2k5i s ALA 146 Cb -0.02 -2.95 0.44 0.00 0.00 0.00 0.00 23.12 20.59 2k5i s ALA 146 CO -0.05 -2.16 1.07 0.41 0.00 0.00 0.00 175.76 175.03 2k5i n GLY 147 N 3.07 4.62 0.12 0.00 0.00 -1.26 -4.76 105.19 106.99 2k5i n GLY 147 Ca 0.15 -2.27 0.01 0.00 0.00 0.00 0.00 46.02 43.91 2k5i n GLY 147 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k5i h GLU 148 N 2.65 0.00 -6.60 1.61 4.39 -2.00 -3.45 114.58 111.18 2k5i h GLU 148 Ca 0.18 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.35 2k5i h GLU 148 Cb 1.07 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.76 2k5i h GLU 148 CO 0.71 0.53 0.84 -1.83 -1.16 0.00 0.00 179.01 178.10 2k5i s GLU 149 N -2.92 4.24 0.07 2.33 -1.05 -1.26 -5.03 118.70 115.07 2k5i s GLU 149 Ca 0.03 2.30 0.01 0.00 -0.15 0.00 0.00 54.97 57.15 2k5i s GLU 149 Cb 0.08 -3.17 -0.04 0.00 -0.44 0.00 0.00 34.13 30.56 2k5i s GLU 149 CO 0.76 -0.56 -0.06 -1.54 0.95 0.00 0.00 175.26 174.82 2k5i s SER 150 N 1.10 0.82 -0.18 0.83 1.04 -1.26 -5.15 113.70 110.89 2k5i s SER 150 Ca 0.68 -0.86 -0.05 0.00 0.48 0.00 0.00 55.95 56.20 2k5i s SER 150 Cb -0.42 0.11 -0.03 0.00 0.10 0.00 0.00 66.02 65.78 2k5i s SER 150 CO 0.31 -0.43 0.01 -1.00 0.98 0.00 0.00 173.24 173.11 2k5i s HIS 151 N -3.01 3.10 0.23 5.02 3.76 -1.26 -5.08 115.29 118.05 2k5i s HIS 151 Ca 0.03 -0.23 -0.29 0.00 -0.15 0.00 0.00 55.06 54.41 2k5i s HIS 151 Cb 0.01 -2.04 -0.15 0.00 1.11 0.00 0.00 32.58 31.50 2k5i s HIS 151 CO -0.05 -0.05 0.92 -2.30 -0.85 0.00 0.00 174.74 172.41 2k5i n PRO 152 N 3.81 0.93 -2.08 8.40 -0.02 -1.26 -4.99 135.00 139.78 2k5i n PRO 152 Ca -0.17 0.33 -0.28 0.00 -2.02 0.00 0.00 63.50 61.35 2k5i n PRO 152 Cb 0.52 -1.64 0.17 0.00 -0.02 0.00 0.00 33.50 32.54 2k5i n PRO 152 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2k5i s GLN 153 N -1.10 0.85 -0.55 -0.52 1.11 -1.26 -5.04 119.66 113.15 2k5i s GLN 153 Ca 0.64 -0.59 -0.13 0.00 0.01 0.00 0.00 55.36 55.30 2k5i s GLN 153 Cb -0.81 -1.96 0.14 0.00 -1.01 0.00 0.00 33.01 29.37 2k5i s GLN 153 CO 0.57 -2.21 0.47 0.15 0.01 0.00 0.00 175.29 174.28 2k5i s LYS 154 N -5.73 2.85 -1.11 2.91 -0.14 -1.26 -5.01 119.74 112.25 2k5i s LYS 154 Ca 0.73 -1.86 -0.17 0.00 -1.36 0.00 0.00 55.97 53.30 2k5i s LYS 154 Cb -0.04 -4.15 0.13 0.00 -1.68 0.00 0.00 37.83 32.09 2k5i s LYS 154 CO 0.51 -1.27 1.39 -0.48 -0.76 0.00 0.00 175.35 174.74 2k5i s LEU 155 N 1.26 4.67 -1.10 3.17 0.05 -1.26 -4.95 118.68 120.52 2k5i s LEU 155 Ca 0.06 -2.42 -0.23 0.00 0.05 0.00 0.00 54.13 51.59 2k5i s LEU 155 Cb -0.26 -2.45 -0.09 0.00 -2.05 0.00 0.00 46.19 41.34 2k5i s LEU 155 CO -0.00 -1.01 1.96 -1.61 -0.55 0.00 0.00 176.35 175.14 2k5i s GLU 156 N 2.76 2.39 -0.26 1.48 2.02 -1.26 -4.92 118.70 120.92 2k5i s GLU 156 Ca 0.42 -0.87 -0.25 0.00 0.02 0.00 0.00 54.97 54.28 2k5i s GLU 156 Cb -0.02 -5.17 -0.00 0.00 0.10 0.00 0.00 34.13 29.04 2k5i s GLU 156 CO -0.03 -3.97 0.86 -1.58 0.02 0.00 0.00 175.26 170.55 2k5i s HIS 157 N 11.35 3.29 0.31 1.61 2.46 -1.26 -5.04 115.29 128.00 2k5i s HIS 157 Ca 0.70 1.12 -0.28 0.00 0.47 0.00 0.00 55.06 57.07 2k5i s HIS 157 Cb -0.03 -3.13 -0.09 0.00 -0.13 0.00 0.00 32.58 29.20 2k5i s HIS 157 CO 0.10 -0.45 1.09 -1.58 -2.47 0.00 0.00 174.74 171.43 2k5i s HIS 158 N 2.94 3.50 0.47 3.88 2.46 -1.26 -5.06 115.29 122.21 2k5i s HIS 158 Ca 0.36 1.68 0.07 0.00 0.47 0.00 0.00 55.06 57.64 2k5i s HIS 158 Cb -0.15 -3.26 -0.00 0.00 -0.13 0.00 0.00 32.58 29.04 2k5i s HIS 158 CO 0.08 -0.60 0.36 -1.01 -2.47 0.00 0.00 174.74 171.11 2k5i s HIS 159 N -1.27 2.27 -0.05 3.88 3.76 -1.26 -5.14 115.29 117.48 2k5i s HIS 159 Ca 0.47 -0.64 -0.01 0.00 -0.15 0.00 0.00 55.06 54.73 2k5i s HIS 159 Cb -0.30 -2.04 0.03 0.00 1.11 0.00 0.00 32.58 31.37 2k5i s HIS 159 CO 0.38 -0.22 0.03 -1.58 -0.85 0.00 0.00 174.74 172.50 2k5i s HIS 160 N -2.61 0.33 0.08 1.40 2.46 -1.26 -5.16 115.29 110.53 2k5i s HIS 160 Ca 0.42 0.05 0.10 0.00 0.47 0.00 0.00 55.06 56.10 2k5i s HIS 160 Cb -0.02 -0.58 -0.03 0.00 -0.13 0.00 0.00 32.58 31.82 2k5i s HIS 160 CO 0.25 -0.23 -0.26 -1.58 -2.47 0.00 0.00 174.74 170.45 2k5i s HIS 161 N 1.87 2.34 0.00 3.88 5.04 -1.26 -5.37 115.29 121.79 2k5i s HIS 161 Ca 0.02 -0.39 0.00 0.00 -1.54 0.00 0.00 55.06 53.15 2k5i s HIS 161 Cb -0.12 -1.35 0.00 0.00 0.04 0.00 0.00 32.58 31.15 2k5i s HIS 161 CO -0.04 0.21 0.00 1.58 -2.34 0.00 0.00 174.74 174.16