#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5i s LYS 2 N 0.00 3.45 0.00 3.17 3.01 -1.26 -0.95 119.74 127.15 2k5i s LYS 2 Ca 0.00 -0.58 0.24 0.00 -1.01 0.00 0.00 55.97 54.63 2k5i s LYS 2 Cb 0.00 -2.95 1.27 0.00 -1.01 0.00 0.00 37.83 35.14 2k5i s LYS 2 CO 0.00 0.51 1.81 1.47 0.51 0.00 0.00 175.35 179.65 2k5i n LEU 3 N -0.56 0.00 0.04 3.17 -0.00 -1.23 -3.40 117.00 115.02 2k5i n LEU 3 Ca -0.07 0.23 0.04 0.00 -0.00 0.00 0.00 56.01 56.20 2k5i n LEU 3 Cb 0.54 -0.23 0.18 0.00 -0.00 0.00 0.00 43.42 43.91 2k5i n LEU 3 CO 0.49 -0.05 0.61 -1.54 -0.00 0.00 0.00 177.39 176.90 2k5i n SER 4 N -1.23 0.14 -0.07 1.45 3.41 -1.26 -1.78 113.62 114.28 2k5i n SER 4 Ca 0.13 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.30 2k5i n SER 4 Cb 0.17 -0.58 0.01 0.00 -0.26 0.00 0.00 64.21 63.55 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 -1.68 0.70 -2.30 4.33 1.85 -1.22 -4.99 116.66 113.35 2k5i n ARG 5 Ca 0.00 -0.88 -0.41 0.00 -1.00 0.00 0.00 57.85 55.56 2k5i n ARG 5 Cb 0.04 -0.65 -0.03 0.00 -1.05 0.00 0.00 32.46 30.76 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 -0.35 4.46 -0.02 2.89 2.96 -0.73 -4.79 118.68 123.10 2k5i s LEU 6 Ca 0.02 2.40 -0.30 0.00 -0.22 0.00 0.00 54.13 56.02 2k5i s LEU 6 Cb 0.01 -3.62 -0.03 0.00 0.50 0.00 0.00 46.19 43.05 2k5i s LEU 6 CO 0.00 -0.39 1.01 -0.69 -1.32 0.00 0.00 176.35 174.96 2k5i s VAL 7 N -0.56 4.75 -0.08 1.68 1.01 -1.26 -4.90 120.40 121.05 2k5i s VAL 7 Ca 0.51 1.98 -0.36 0.00 0.00 0.00 0.00 61.98 64.11 2k5i s VAL 7 Cb -0.35 -4.27 -0.13 0.00 0.00 0.00 0.00 36.38 31.62 2k5i s VAL 7 CO 0.42 0.12 1.76 -2.65 0.00 0.00 0.00 175.10 174.75 2k5i n PRO 8 N 4.17 1.88 0.00 2.72 -0.02 -1.26 -1.76 135.00 140.73 2k5i n PRO 8 Ca 0.07 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2k5i n PRO 8 Cb 0.50 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 2k5i n PRO 8 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k5i n GLY 9 N 4.06 2.50 3.65 -1.23 0.00 0.24 -4.96 105.19 109.45 2k5i n GLY 9 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.54 4.69 -0.22 1.61 1.01 -0.72 -4.95 120.40 119.28 2k5i s VAL 10 Ca 0.00 1.92 -0.29 0.00 0.00 0.00 0.00 61.98 63.61 2k5i s VAL 10 Cb 0.00 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 2k5i s VAL 10 CO 0.00 -0.19 1.39 -2.16 0.00 0.00 0.00 175.10 174.14 2k5i s PRO 11 N 3.18 4.00 0.52 2.72 0.04 -1.26 -4.26 135.00 139.93 2k5i s PRO 11 Ca 0.43 1.54 0.01 0.00 0.04 0.00 0.00 61.00 63.02 2k5i s PRO 11 Cb -0.15 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.50 2k5i s PRO 11 CO 0.07 -1.02 0.07 0.00 0.04 0.00 0.00 177.00 176.16 2k5i s ALA 12 N 4.29 4.24 -0.04 8.56 0.00 0.41 -0.46 121.76 138.76 2k5i s ALA 12 Ca 0.61 -0.38 -0.04 0.00 0.00 0.00 0.00 51.96 52.15 2k5i s ALA 12 Cb -0.21 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 22.81 2k5i s ALA 12 CO 0.23 -0.08 0.12 0.50 0.00 0.00 0.00 175.76 176.52 2k5i s ARG 13 N -3.96 0.14 -0.28 0.00 3.52 0.11 -0.37 118.95 118.12 2k5i s ARG 13 Ca 0.08 0.15 -0.29 0.00 -0.13 0.00 0.00 55.73 55.55 2k5i s ARG 13 Cb 0.00 0.07 -0.02 0.00 -1.56 0.00 0.00 34.95 33.44 2k5i s ARG 13 CO 0.05 -0.02 1.77 0.42 -0.81 0.00 0.00 175.30 176.71 2k5i s ILE 14 N 0.04 3.50 -0.02 4.11 -1.09 -0.40 -0.01 121.20 127.34 2k5i s ILE 14 Ca -0.00 0.53 -0.01 0.00 -2.23 0.00 0.00 60.65 58.94 2k5i s ILE 14 Cb -0.01 -3.60 -0.00 0.00 -1.58 0.00 0.00 42.46 37.26 2k5i s ILE 14 CO 0.00 -0.34 0.11 0.11 -1.23 0.00 0.00 174.94 173.60 2k5i h LYS 15 N 12.25 -0.02 -2.14 2.79 1.79 -1.23 -1.91 116.57 128.09 2k5i h LYS 15 Ca -0.35 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.06 2k5i h LYS 15 Cb 1.17 0.01 -0.19 0.00 -1.58 0.00 0.00 32.23 31.63 2k5i h LYS 15 CO 1.01 -0.02 0.12 -0.98 -1.08 0.00 0.00 179.45 178.50 2k5i s ARG 16 N -1.35 0.98 -0.23 3.15 1.70 -1.14 -4.66 118.95 117.40 2k5i s ARG 16 Ca -0.00 0.28 -0.09 0.00 -0.47 0.00 0.00 55.73 55.45 2k5i s ARG 16 Cb 0.00 0.46 -0.04 0.00 -0.57 0.00 0.00 34.95 34.80 2k5i s ARG 16 CO 0.01 -0.28 0.11 -0.51 -1.08 0.00 0.00 175.30 173.54 2k5i s LEU 17 N -1.03 3.82 -0.15 -1.89 1.02 -1.26 -0.91 118.68 118.27 2k5i s LEU 17 Ca -0.10 0.00 0.16 0.00 0.02 0.00 0.00 54.13 54.21 2k5i s LEU 17 Cb -0.01 -2.01 0.57 0.00 0.02 0.00 0.00 46.19 44.76 2k5i s LEU 17 CO 0.08 0.06 1.48 -1.84 0.02 0.00 0.00 176.35 176.16 2k5i n GLU 18 N 4.28 3.38 -3.42 1.70 0.28 -0.73 -5.00 120.64 121.13 2k5i n GLU 18 Ca -0.16 -2.79 -0.27 0.00 -0.16 0.00 0.00 57.16 53.79 2k5i n GLU 18 Cb 0.52 -1.84 -0.03 0.00 1.43 0.00 0.00 31.44 31.53 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 -2.40 5.09 1.09 3.84 0.11 -1.26 -5.06 120.40 121.81 2k5i s VAL 19 Ca 0.43 -0.18 -0.14 0.00 -2.93 0.00 0.00 61.98 59.16 2k5i s VAL 19 Cb 0.32 -3.77 0.24 0.00 -1.53 0.00 0.00 36.38 31.64 2k5i s VAL 19 CO 0.13 -0.36 1.07 -0.94 -3.33 0.00 0.00 175.10 171.68 2k5i s SER 20 N -3.41 1.81 0.41 3.54 1.04 -1.26 -4.62 113.70 111.21 2k5i s SER 20 Ca 0.42 1.16 0.15 0.00 0.48 0.00 0.00 55.95 58.15 2k5i s SER 20 Cb -0.10 -1.80 1.01 0.00 0.10 0.00 0.00 66.02 65.23 2k5i s SER 20 CO 0.32 -3.64 1.90 1.23 0.98 0.00 0.00 173.24 174.03 2k5i h GLY 21 N -2.24 0.84 -0.09 7.32 0.00 -1.99 -1.04 103.07 105.88 2k5i h GLY 21 Ca -0.55 -0.21 0.02 0.00 0.00 0.00 0.00 47.33 46.59 2k5i h GLY 21 CO 0.53 0.06 -0.30 0.83 0.00 0.00 0.00 176.54 177.65 2k5i h GLU 22 N 0.47 -0.30 0.01 4.80 4.39 -2.02 -1.11 114.58 120.81 2k5i h GLU 22 Ca 0.40 0.02 -0.19 0.00 0.34 0.00 0.00 59.36 59.93 2k5i h GLU 22 Cb 0.88 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.58 2k5i h GLU 22 CO -0.15 -0.20 -0.89 1.25 -1.16 0.00 0.00 179.01 177.87 2k5i h LEU 23 N -0.32 0.11 -0.91 1.33 5.85 -1.90 -3.34 115.31 116.13 2k5i h LEU 23 Ca 0.02 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.70 2k5i h LEU 23 Cb 0.37 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 2k5i h LEU 23 CO -0.25 0.94 0.58 -0.74 -0.34 0.00 0.00 178.44 178.63 2k5i h HIS 24 N 0.04 1.08 -0.15 1.25 2.76 -0.86 -0.58 115.15 118.69 2k5i h HIS 24 Ca -0.03 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.08 2k5i h HIS 24 Cb 1.54 -0.36 -0.01 0.00 1.55 0.00 0.00 27.41 30.13 2k5i h HIS 24 CO 0.01 0.58 -0.29 1.05 -1.30 0.00 0.00 177.93 177.98 2k5i h GLU 25 N 1.09 0.29 0.23 5.26 -0.00 -1.32 -2.06 114.58 118.07 2k5i h GLU 25 Ca 0.39 -0.11 -0.01 0.00 -0.00 0.00 0.00 59.36 59.63 2k5i h GLU 25 Cb 0.11 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 28.84 2k5i h GLU 25 CO -0.15 0.56 -0.11 -0.22 -0.00 0.00 0.00 179.01 179.09 2k5i h LYS 26 N 0.26 -0.30 -0.16 1.06 3.64 -1.43 -2.72 116.57 116.92 2k5i h LYS 26 Ca 0.04 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 2k5i h LYS 26 Cb 0.66 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 2k5i h LYS 26 CO 0.05 0.01 -0.01 -0.07 -2.27 0.00 0.00 179.45 177.15 2k5i h LEU 27 N -0.62 -0.09 -1.74 5.20 3.38 -1.02 0.10 115.31 120.53 2k5i h LEU 27 Ca -0.03 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2k5i h LEU 27 Cb 0.45 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2k5i h LEU 27 CO 0.05 -0.02 -0.13 -0.37 0.09 0.00 0.00 178.44 178.06 2k5i h VAL 28 N 0.04 1.09 0.00 1.22 -1.51 -1.47 0.13 116.25 115.76 2k5i h VAL 28 Ca 0.08 -0.45 -0.17 0.00 -1.23 0.00 0.00 66.70 64.93 2k5i h VAL 28 Cb 0.10 1.24 -0.02 0.00 -2.13 0.00 0.00 31.29 30.47 2k5i h VAL 28 CO -0.14 0.13 -0.80 1.23 -1.23 0.00 0.00 177.57 176.76 2k5i h GLY 29 N 0.39 0.01 2.00 5.19 0.00 -0.96 -3.25 103.07 106.45 2k5i h GLY 29 Ca -0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 47.33 47.17 2k5i h GLY 29 CO 0.02 0.01 -0.71 -0.33 0.00 0.00 0.00 176.54 175.53 2k5i h MET 30 N 0.00 0.00 0.00 4.80 2.07 0.21 -3.47 114.93 118.54 2k5i h MET 30 Ca -0.01 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.62 2k5i h MET 30 Cb 1.41 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.14 2k5i h MET 30 CO 0.10 0.71 0.00 0.41 1.07 0.00 0.00 176.91 179.20 2k5i n GLY 31 N 1.12 0.58 3.57 8.32 0.00 -0.02 -4.99 105.19 113.76 2k5i n GLY 31 Ca 0.01 0.00 -0.30 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 0.00 2.00 -0.04 1.61 0.40 0.27 -4.90 117.98 117.32 2k5i s PHE 32 Ca 0.00 0.27 0.04 0.00 -0.60 0.00 0.00 56.93 56.64 2k5i s PHE 32 Cb 0.00 -4.15 -0.00 0.00 0.51 0.00 0.00 43.02 39.38 2k5i s PHE 32 CO 0.00 -1.60 -0.17 0.14 0.70 0.00 0.00 175.22 174.29 2k5i s VAL 33 N 9.44 1.40 -0.35 -0.44 -7.23 -1.26 -3.80 120.40 118.15 2k5i s VAL 33 Ca 0.66 -0.71 -0.32 0.00 -1.81 0.00 0.00 61.98 59.80 2k5i s VAL 33 Cb -0.03 -1.19 -0.09 0.00 0.56 0.00 0.00 36.38 35.62 2k5i s VAL 33 CO 0.03 0.40 2.25 -2.65 -0.31 0.00 0.00 175.10 174.82 2k5i n PRO 34 N 3.06 1.28 0.00 4.82 -0.02 -1.26 -2.39 135.00 140.49 2k5i n PRO 34 Ca -0.17 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2k5i n PRO 34 Cb 0.53 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 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 6.27 1.25 3.75 -1.23 0.00 -0.72 -5.01 105.19 109.50 2k5i n GLY 35 Ca 0.39 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.00 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 4.79 0.39 1.61 0.41 -1.01 -4.77 118.70 120.12 2k5i s GLU 36 Ca 0.00 1.54 -0.26 0.00 -0.41 0.00 0.00 54.97 55.84 2k5i s GLU 36 Cb 0.00 -3.28 -0.09 0.00 -1.78 0.00 0.00 34.13 28.98 2k5i s GLU 36 CO 0.00 0.41 1.25 -1.21 -0.49 0.00 0.00 175.26 175.22 2k5i s GLU 37 N -1.01 4.08 -0.08 1.61 8.01 -1.26 -1.27 118.70 128.79 2k5i s GLU 37 Ca 0.43 2.05 -0.03 0.00 0.01 0.00 0.00 54.97 57.42 2k5i s GLU 37 Cb -0.27 -2.80 0.04 0.00 -4.31 0.00 0.00 34.13 26.80 2k5i s GLU 37 CO 0.33 -0.36 0.16 -1.50 0.01 0.00 0.00 175.26 173.90 2k5i s ILE 38 N -1.28 -0.11 0.02 -1.63 2.07 0.50 -4.55 121.20 116.23 2k5i s ILE 38 Ca 0.55 0.22 0.03 0.00 -1.41 0.00 0.00 60.65 60.04 2k5i s ILE 38 Cb -0.36 -0.27 -0.02 0.00 0.13 0.00 0.00 42.46 41.94 2k5i s ILE 38 CO 0.46 0.09 -0.10 -1.83 -1.91 0.00 0.00 174.94 171.65 2k5i s GLU 39 N 1.46 0.71 -0.09 3.50 -1.05 -1.21 -0.44 118.70 121.58 2k5i s GLU 39 Ca -0.06 -0.59 -0.28 0.00 -0.15 0.00 0.00 54.97 53.90 2k5i s GLU 39 Cb -0.12 -0.65 -0.02 0.00 -0.44 0.00 0.00 34.13 32.91 2k5i s GLU 39 CO -0.06 0.16 0.91 0.42 0.95 0.00 0.00 175.26 177.63 2k5i s ILE 40 N -0.75 4.87 -0.08 1.83 -1.09 -1.26 0.16 121.20 124.88 2k5i s ILE 40 Ca -0.01 1.84 -0.20 0.00 -2.23 0.00 0.00 60.65 60.05 2k5i s ILE 40 Cb -0.07 -4.23 -0.16 0.00 -1.58 0.00 0.00 42.46 36.42 2k5i s ILE 40 CO 0.01 0.09 0.75 0.58 -1.23 0.00 0.00 174.94 175.13 2k5i h VAL 41 N 5.00 1.00 -2.77 2.92 2.07 -0.15 0.71 116.25 125.03 2k5i h VAL 41 Ca -0.34 -1.42 0.06 0.00 0.82 0.00 0.00 66.70 65.82 2k5i h VAL 41 Cb 1.17 1.77 -0.10 0.00 -1.52 0.00 0.00 31.29 32.60 2k5i h VAL 41 CO 0.81 0.29 0.31 0.00 0.02 0.00 0.00 177.57 179.00 2k5i s GLN 42 N -2.91 1.32 0.04 1.57 1.03 -1.20 -4.66 119.66 114.85 2k5i s GLN 42 Ca -0.13 -0.61 0.09 0.00 0.04 0.00 0.00 55.36 54.75 2k5i s GLN 42 Cb -0.00 0.53 -0.03 0.00 0.03 0.00 0.00 33.01 33.54 2k5i s GLN 42 CO 0.48 -0.59 -0.25 0.08 -2.54 0.00 0.00 175.29 172.46 2k5i s VAL 43 N -3.61 2.05 0.61 3.63 1.01 -1.26 -1.66 120.40 121.17 2k5i s VAL 43 Ca 0.06 -1.35 -0.17 0.00 0.00 0.00 0.00 61.98 60.53 2k5i s VAL 43 Cb -0.02 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 2k5i s VAL 43 CO -0.05 0.34 1.11 0.00 0.00 0.00 0.00 175.10 176.51 2k5i s ALA 44 N -0.80 2.58 0.61 5.51 0.00 -0.79 -4.93 121.76 123.94 2k5i s ALA 44 Ca 0.11 0.63 0.32 0.00 0.00 0.00 0.00 51.96 53.01 2k5i s ALA 44 Cb -0.10 -3.32 1.80 0.00 0.00 0.00 0.00 23.12 21.50 2k5i s ALA 44 CO 0.02 -1.04 2.15 -1.00 0.00 0.00 0.00 175.76 175.88 2k5i h PRO 45 N 0.49 0.00 -0.00 0.00 0.13 -1.92 0.46 132.00 131.16 2k5i h PRO 45 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.55 0.00 -0.00 1.28 -0.23 0.00 0.00 178.00 179.60 2k5i n LEU 46 N -3.60 0.43 0.00 1.56 4.32 -1.26 -4.88 117.00 113.57 2k5i n LEU 46 Ca -0.00 -0.13 0.00 0.00 -0.02 0.00 0.00 56.01 55.86 2k5i n LEU 46 Cb 0.26 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.05 2k5i n LEU 46 CO 0.25 0.07 0.00 0.61 -1.22 0.00 0.00 177.39 177.10 2k5i n GLY 47 N 1.06 2.66 3.47 -0.72 0.00 0.15 -5.00 105.19 106.82 2k5i n GLY 47 Ca 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.37 -0.50 1.06 1.61 -4.77 -1.25 -4.70 116.67 106.75 2k5i s ASP 48 Ca 0.00 0.09 -0.15 0.00 -3.30 0.00 0.00 52.55 49.19 2k5i s ASP 48 Cb 0.00 0.50 0.22 0.00 -1.09 0.00 0.00 42.92 42.55 2k5i s ASP 48 CO 0.00 -0.78 1.11 -2.84 0.70 0.00 0.00 175.17 173.36 2k5i s PRO 49 N -3.14 -0.10 -0.09 2.11 0.02 -1.26 -4.65 135.00 127.90 2k5i s PRO 49 Ca 0.01 0.23 0.04 0.00 0.02 0.00 0.00 61.00 61.31 2k5i s PRO 49 Cb -0.01 -1.70 -0.00 0.00 0.02 0.00 0.00 34.50 32.81 2k5i s PRO 49 CO -0.09 -3.02 -0.24 0.96 -0.33 0.00 0.00 177.00 174.29 2k5i s ILE 50 N -3.06 2.01 -0.23 2.83 -0.00 -0.27 -1.88 121.20 120.60 2k5i s ILE 50 Ca 0.67 -1.00 -0.15 0.00 -0.00 0.00 0.00 60.65 60.17 2k5i s ILE 50 Cb -0.15 -1.74 -0.04 0.00 -0.00 0.00 0.00 42.46 40.54 2k5i s ILE 50 CO 0.56 0.55 0.39 -0.69 -0.00 0.00 0.00 174.94 175.75 2k5i s VAL 51 N 0.27 5.19 0.49 8.37 1.01 -0.67 -1.21 120.40 133.85 2k5i s VAL 51 Ca -0.16 0.65 0.05 0.00 0.00 0.00 0.00 61.98 62.51 2k5i s VAL 51 Cb -0.17 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 2k5i s VAL 51 CO 0.08 0.21 0.21 0.00 0.00 0.00 0.00 175.10 175.60 2k5i s LYS 53 N -4.03 1.96 -0.01 0.00 1.02 0.12 -0.39 119.74 118.41 2k5i s LYS 53 Ca 0.28 -1.26 0.03 0.00 0.02 0.00 0.00 55.97 55.04 2k5i s LYS 53 Cb 0.01 -2.80 -0.00 0.00 -0.52 0.00 0.00 37.83 34.52 2k5i s LYS 53 CO 0.16 -0.61 -0.10 0.42 -0.92 0.00 0.00 175.35 174.31 2k5i s ILE 54 N 1.20 0.79 -1.48 2.17 1.01 -0.03 -3.35 121.20 121.51 2k5i s ILE 54 Ca -0.07 -0.41 -0.12 0.00 0.00 0.00 0.00 60.65 60.05 2k5i s ILE 54 Cb -0.20 -0.68 0.06 0.00 0.01 0.00 0.00 42.46 41.66 2k5i s ILE 54 CO -0.06 0.23 1.04 0.61 0.00 0.00 0.00 174.94 176.76 2k5i n GLY 55 N 2.96 -0.51 2.78 6.18 0.00 -1.26 -1.11 105.19 114.23 2k5i n GLY 55 Ca -0.15 0.21 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.89 -5.50 -4.32 1.61 3.02 -1.26 -4.97 115.26 100.94 2k5i n ASN 56 Ca 0.02 0.12 -0.19 0.00 -0.03 0.00 0.00 54.58 54.50 2k5i n ASN 56 Cb 0.54 -3.42 -0.10 0.00 -0.61 0.00 0.00 39.78 36.18 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 -2.21 1.25 -0.10 3.52 1.70 -0.26 -5.13 118.95 117.71 2k5i s ARG 57 Ca 0.00 -1.49 -0.21 0.00 -0.47 0.00 0.00 55.73 53.57 2k5i s ARG 57 Cb 0.00 -1.08 -0.04 0.00 -0.57 0.00 0.00 34.95 33.26 2k5i s ARG 57 CO 0.00 0.19 0.58 -0.80 -1.08 0.00 0.00 175.30 174.19 2k5i s ASN 58 N -3.05 6.82 -0.25 -2.89 0.02 -1.26 -0.85 114.94 113.47 2k5i s ASN 58 Ca 0.19 0.98 0.01 0.00 -1.02 0.00 0.00 52.86 53.02 2k5i s ASN 58 Cb -0.02 -2.34 0.05 0.00 0.02 0.00 0.00 41.25 38.95 2k5i s ASN 58 CO 0.06 -0.06 -0.10 -0.63 0.02 0.00 0.00 177.10 176.39 2k5i s ILE 59 N 0.74 2.39 -0.44 0.60 -1.09 0.47 -4.94 121.20 118.93 2k5i s ILE 59 Ca 0.31 -1.39 -0.26 0.00 -2.23 0.00 0.00 60.65 57.08 2k5i s ILE 59 Cb -0.16 -2.31 0.03 0.00 -1.58 0.00 0.00 42.46 38.43 2k5i s ILE 59 CO 0.14 0.09 0.98 -0.89 -1.23 0.00 0.00 174.94 174.02 2k5i s THR 60 N 1.19 4.44 0.06 2.92 2.01 -1.26 -0.72 115.64 124.27 2k5i s THR 60 Ca -0.05 0.96 0.09 0.00 0.31 0.00 0.00 61.69 63.01 2k5i s THR 60 Cb -0.18 -4.45 -0.03 0.00 0.01 0.00 0.00 72.50 67.84 2k5i s THR 60 CO -0.06 -0.81 -0.25 -0.22 -0.69 0.00 0.00 174.62 172.60 2k5i s LEU 61 N 3.85 2.29 0.22 4.42 1.98 -0.35 -4.96 118.68 126.12 2k5i s LEU 61 Ca 0.40 -0.58 -0.14 0.00 -2.89 0.00 0.00 54.13 50.92 2k5i s LEU 61 Cb -0.10 -1.33 -0.08 0.00 0.66 0.00 0.00 46.19 45.35 2k5i s LEU 61 CO 0.26 0.25 0.61 -0.13 -1.89 0.00 0.00 176.35 175.44 2k5i s ARG 62 N -1.41 3.96 0.14 1.98 1.81 -1.26 -1.11 118.95 123.05 2k5i s ARG 62 Ca 0.13 0.50 -0.17 0.00 -1.72 0.00 0.00 55.73 54.47 2k5i s ARG 62 Cb -0.10 -2.73 -0.01 0.00 -0.45 0.00 0.00 34.95 31.66 2k5i s ARG 62 CO 0.03 0.35 1.75 -0.22 -0.68 0.00 0.00 175.30 176.54 2k5i h LYS 63 N 2.94 0.50 -0.55 3.54 3.64 -1.94 0.83 116.57 125.54 2k5i h LYS 63 Ca -0.48 -0.05 0.16 0.00 -1.27 0.00 0.00 60.65 59.01 2k5i h LYS 63 Cb 1.18 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.88 2k5i h LYS 63 CO 0.67 0.40 0.40 0.07 -2.27 0.00 0.00 179.45 178.71 2k5i h ARG 64 N 0.47 0.00 0.18 1.90 0.11 -1.98 0.22 114.38 115.28 2k5i h ARG 64 Ca 0.13 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.94 2k5i h ARG 64 Cb 0.03 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.14 2k5i h ARG 64 CO -0.02 0.00 -1.23 0.93 0.10 0.00 0.00 179.97 179.75 2k5i h GLU 65 N 0.00 0.39 -0.23 0.08 5.08 -1.71 -3.37 114.58 114.82 2k5i h GLU 65 Ca 0.26 -0.66 0.03 0.00 -1.00 0.00 0.00 59.36 57.99 2k5i h GLU 65 Cb 1.05 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 2k5i h GLU 65 CO -0.00 1.32 0.16 0.00 -1.00 0.00 0.00 179.01 179.48 2k5i h ALA 66 N 0.09 2.00 0.00 3.43 0.00 0.11 -0.60 119.26 124.29 2k5i h ALA 66 Ca -0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2k5i h ALA 66 Cb 1.89 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.64 2k5i h ALA 66 CO 0.18 -0.04 0.00 -0.25 0.00 0.00 0.00 179.25 179.14 2k5i n ASP 67 N -4.50 0.00 -0.66 0.00 8.00 -0.54 -1.72 116.55 117.14 2k5i n ASP 67 Ca 0.02 0.39 0.07 0.00 0.71 0.00 0.00 54.79 55.97 2k5i n ASP 67 Cb 0.18 -0.41 0.11 0.00 -0.02 0.00 0.00 41.12 40.98 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 2.53 -4.26 0.64 4.77 -0.23 -4.91 117.00 114.14 2k5i n LEU 68 Ca 0.01 -1.35 -0.36 0.00 -0.03 0.00 0.00 56.01 54.29 2k5i n LEU 68 Cb 0.03 -0.10 -0.14 0.00 -2.33 0.00 0.00 43.42 40.88 2k5i n LEU 68 CO 0.03 0.54 -0.35 -0.63 -1.33 0.00 0.00 177.39 175.64 2k5i s ILE 69 N -1.12 3.33 -0.08 -0.08 1.09 -0.70 -1.78 121.20 121.86 2k5i s ILE 69 Ca 0.21 -0.87 -0.26 0.00 -1.10 0.00 0.00 60.65 58.63 2k5i s ILE 69 Cb 0.13 -2.70 -0.03 0.00 -1.06 0.00 0.00 42.46 38.81 2k5i s ILE 69 CO 0.19 0.16 0.82 -0.70 -0.10 0.00 0.00 174.94 175.31 2k5i s GLU 70 N 1.40 4.44 0.17 2.79 2.56 -0.09 -3.50 118.70 126.47 2k5i s GLU 70 Ca 0.01 1.08 0.09 0.00 0.00 0.00 0.00 54.97 56.15 2k5i s GLU 70 Cb -0.17 -3.49 -0.04 0.00 2.00 0.00 0.00 34.13 32.43 2k5i s GLU 70 CO -0.02 -0.08 -0.18 0.14 -0.56 0.00 0.00 175.26 174.56 2k5i s VAL 71 N 1.24 1.88 -0.19 3.70 -7.23 -0.13 -0.70 120.40 118.97 2k5i s VAL 71 Ca 0.42 -1.97 -0.02 0.00 -1.81 0.00 0.00 61.98 58.61 2k5i s VAL 71 Cb -0.18 -1.90 -0.00 0.00 0.56 0.00 0.00 36.38 34.86 2k5i s VAL 71 CO 0.19 -0.32 -0.11 -0.70 -0.31 0.00 0.00 175.10 173.85 2k5i s GLU 72 N -2.87 3.26 -0.55 4.82 2.56 0.99 -4.23 118.70 122.68 2k5i s GLU 72 Ca 0.17 -0.70 -0.27 0.00 0.00 0.00 0.00 54.97 54.17 2k5i s GLU 72 Cb -0.06 -2.80 -0.00 0.00 2.00 0.00 0.00 34.13 33.27 2k5i s GLU 72 CO 0.07 -0.13 1.62 0.08 -0.56 0.00 0.00 175.26 176.34 2k5i s VAL 73 N 1.22 3.59 0.31 3.70 1.01 -1.26 0.07 120.40 129.04 2k5i s VAL 73 Ca 0.02 0.48 0.02 0.00 0.00 0.00 0.00 61.98 62.51 2k5i s VAL 73 Cb -0.14 -4.16 0.13 0.00 0.00 0.00 0.00 36.38 32.20 2k5i s VAL 73 CO -0.04 -0.99 1.82 0.58 0.00 0.00 0.00 175.10 176.46 2k5i h VAL 74 N 6.60 1.22 0.00 2.92 2.07 -1.06 -2.19 116.25 125.81 2k5i h VAL 74 Ca -0.28 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.31 2k5i h VAL 74 Cb 1.13 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 2k5i h VAL 74 CO 1.17 0.32 0.00 0.61 0.02 0.00 0.00 177.57 179.69 2k5i n GLY 75 N -0.72 -1.07 4.94 2.17 0.00 -1.20 -4.88 105.19 104.44 2k5i n GLY 75 Ca 0.01 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.70 1.52 3.74 -0.02 0.00 -0.83 -4.93 105.19 103.98 2k5i n GLY 76 Ca 0.00 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 4.75 -0.05 1.61 -1.05 -1.26 -4.69 118.70 118.00 2k5i s GLU 77 Ca 0.00 1.52 -0.04 0.00 -0.15 0.00 0.00 54.97 56.30 2k5i s GLU 77 Cb 0.00 -3.32 0.02 0.00 -0.44 0.00 0.00 34.13 30.39 2k5i s GLU 77 CO 0.00 0.32 0.13 -0.48 0.95 0.00 0.00 175.26 176.18 2k5i s LEU 78 N -0.60 1.41 0.84 1.83 2.34 -0.04 -4.95 118.68 119.51 2k5i s LEU 78 Ca 0.45 0.26 -0.11 0.00 0.06 0.00 0.00 54.13 54.79 2k5i s LEU 78 Cb -0.26 0.42 0.10 0.00 -0.56 0.00 0.00 46.19 45.90 2k5i s LEU 78 CO 0.32 -0.06 1.13 -2.16 -1.06 0.00 0.00 176.35 174.52 2k5i s PRO 79 N 0.22 1.61 0.65 1.48 0.04 -1.26 -0.90 135.00 136.84 2k5i s PRO 79 Ca -0.01 1.40 0.42 0.00 0.04 0.00 0.00 61.00 62.85 2k5i s PRO 79 Cb -0.02 -1.81 2.25 0.00 0.04 0.00 0.00 34.50 34.96 2k5i s PRO 79 CO -0.01 -2.16 2.31 -0.07 0.04 0.00 0.00 177.00 177.11 2k5i h LEU 80 N -1.46 0.00 -2.11 -3.56 3.38 -0.40 0.16 115.31 111.32 2k5i h LEU 80 Ca -0.43 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 2k5i h LEU 80 Cb 1.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 2k5i h LEU 80 CO 0.46 0.00 -0.08 -0.29 0.09 0.00 0.00 178.44 178.63 2k5i h ILE 81 N 0.00 0.48 -0.03 1.22 6.09 -1.29 -1.76 117.51 122.22 2k5i h ILE 81 Ca -0.00 -0.37 0.00 0.00 -1.37 0.00 0.00 64.86 63.12 2k5i h ILE 81 Cb 0.08 1.25 0.00 0.00 0.47 0.00 0.00 36.82 38.62 2k5i h ILE 81 CO 0.00 0.08 -0.03 0.18 -3.07 0.00 0.00 178.15 175.31 2k5i n LEU 82 N -3.61 2.87 -4.61 2.19 4.77 0.53 -4.97 117.00 114.17 2k5i n LEU 82 Ca -0.02 -0.99 -0.43 0.00 -0.03 0.00 0.00 56.01 54.55 2k5i n LEU 82 Cb 0.19 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 2k5i n LEU 82 CO 0.28 0.48 1.63 0.00 -1.33 0.00 0.00 177.39 178.45 2k5i s ALA 83 N -1.95 2.94 0.00 -1.18 0.00 -0.66 -4.91 121.76 116.00 2k5i s ALA 83 Ca 0.26 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.79 2k5i s ALA 83 Cb 0.19 -4.00 0.00 0.00 0.00 0.00 0.00 23.12 19.31 2k5i s ALA 83 CO 0.30 -2.50 0.42 -3.47 0.00 0.00 0.00 175.76 170.52 2k5i n ASP 84 N 10.29 0.00 -2.12 0.00 2.03 -1.26 -5.03 116.55 120.46 2k5i n ASP 84 Ca 0.25 0.42 0.01 0.00 0.52 0.00 0.00 54.79 55.99 2k5i n ASP 84 Cb 0.45 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.86 2k5i n ASP 84 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2k5i n ASP 85 N -0.54 -0.50 0.00 1.67 5.68 -1.26 -5.13 116.55 116.47 2k5i n ASP 85 Ca 0.00 -1.12 0.00 0.00 -0.50 0.00 0.00 54.79 53.17 2k5i n ASP 85 Cb 0.00 0.78 0.00 0.00 -1.14 0.00 0.00 41.12 40.76 2k5i n ASP 85 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k5i n GLY 86 N -0.36 1.33 3.09 6.12 0.00 -1.26 -4.86 105.19 109.25 2k5i n GLY 86 Ca 0.02 -0.87 -0.27 0.00 0.00 0.00 0.00 46.02 44.89 2k5i n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k5i s THR 87 N 0.00 1.45 0.33 2.61 2.01 -1.26 -1.80 115.64 118.98 2k5i s THR 87 Ca 0.00 -0.66 0.05 0.00 0.31 0.00 0.00 61.69 61.38 2k5i s THR 87 Cb 0.00 -1.29 -0.07 0.00 0.01 0.00 0.00 72.50 71.16 2k5i s THR 87 CO 0.00 0.42 0.03 -0.31 -0.69 0.00 0.00 174.62 174.08 2k5i s TYR 88 N 0.53 2.05 -0.08 4.92 1.51 -0.86 -1.70 117.35 123.71 2k5i s TYR 88 Ca -0.16 -0.88 0.01 0.00 -1.01 0.00 0.00 57.07 55.03 2k5i s TYR 88 Cb -0.16 -1.33 0.02 0.00 -0.11 0.00 0.00 41.96 40.37 2k5i s TYR 88 CO 0.05 0.11 -0.08 -2.00 -1.11 0.00 0.00 175.55 172.53 2k5i s GLU 89 N -3.84 1.37 0.23 -0.62 2.12 0.56 -0.36 118.70 118.16 2k5i s GLU 89 Ca 0.35 -0.25 -0.30 0.00 0.36 0.00 0.00 54.97 55.14 2k5i s GLU 89 Cb 0.08 -1.33 -0.09 0.00 0.26 0.00 0.00 34.13 33.06 2k5i s GLU 89 CO 0.15 -0.13 1.15 -1.50 -0.54 0.00 0.00 175.26 174.39 2k5i s ILE 90 N 1.23 3.54 -0.10 -3.70 2.07 -0.65 -0.34 121.20 123.25 2k5i s ILE 90 Ca -0.05 1.41 0.06 0.00 -1.41 0.00 0.00 60.65 60.66 2k5i s ILE 90 Cb -0.14 -3.90 -0.10 0.00 0.13 0.00 0.00 42.46 38.45 2k5i s ILE 90 CO -0.02 0.28 -0.01 1.07 -1.91 0.00 0.00 174.94 174.34 2k5i n THR 91 N 1.87 0.66 -3.51 4.00 5.66 -0.16 -1.32 114.28 121.48 2k5i n THR 91 Ca 0.02 -0.36 -0.11 0.00 -3.05 0.00 0.00 64.05 60.55 2k5i n THR 91 Cb 0.45 -0.81 -0.03 0.00 -1.55 0.00 0.00 70.33 68.39 2k5i n THR 91 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 2k5i s LYS 92 N -2.23 0.86 -0.10 1.09 -2.85 -1.22 -4.88 119.74 110.41 2k5i s LYS 92 Ca -0.08 -0.12 -0.00 0.00 -1.00 0.00 0.00 55.97 54.76 2k5i s LYS 92 Cb 0.03 0.40 -0.03 0.00 -2.06 0.00 0.00 37.83 36.18 2k5i s LYS 92 CO 0.35 -0.34 -0.07 -0.51 0.10 0.00 0.00 175.35 174.89 2k5i s LEU 93 N -1.95 3.14 -0.36 2.77 2.01 -1.26 -2.27 118.68 120.75 2k5i s LEU 93 Ca 0.00 -0.08 -0.05 0.00 0.01 0.00 0.00 54.13 54.01 2k5i s LEU 93 Cb -0.01 -1.70 0.06 0.00 0.01 0.00 0.00 46.19 44.55 2k5i s LEU 93 CO -0.04 0.29 0.14 0.20 1.01 0.00 0.00 176.35 177.95 2k5i s ASN 94 N -0.39 5.29 0.00 2.29 0.01 -0.56 -5.04 114.94 116.54 2k5i s ASN 94 Ca 0.06 -1.43 0.00 0.00 -0.71 0.00 0.00 52.86 50.78 2k5i s ASN 94 Cb -0.12 -1.85 0.00 0.00 0.41 0.00 0.00 41.25 39.68 2k5i s ASN 94 CO 0.02 -0.40 0.00 0.61 -1.51 0.00 0.00 177.10 175.82 2k5i n GLY 95 N 4.75 -1.63 3.77 0.66 0.00 -1.26 -4.79 105.19 106.69 2k5i n GLY 95 Ca -0.10 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 2k5i n GLY 95 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k5i s GLY 96 N 0.00 1.60 0.15 -0.02 0.00 -1.26 -4.81 107.32 102.98 2k5i s GLY 96 Ca 0.00 -0.30 -0.17 0.00 0.00 0.00 0.00 44.72 44.25 2k5i s GLY 96 CO 0.00 0.20 1.73 3.21 0.00 0.00 0.00 173.10 178.24 2k5i h ARG 97 N -1.38 0.19 -0.41 2.90 3.08 -2.01 -0.40 114.38 116.35 2k5i h ARG 97 Ca -0.49 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.47 2k5i h ARG 97 Cb 1.30 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.29 2k5i h ARG 97 CO 0.59 0.12 -0.06 -0.09 -1.07 0.00 0.00 179.97 179.47 2k5i h ARG 98 N 0.19 0.69 -0.81 0.04 2.43 -1.98 -1.01 114.38 113.93 2k5i h ARG 98 Ca 0.15 -0.20 0.04 0.00 -0.81 0.00 0.00 59.98 59.17 2k5i h ARG 98 Cb 0.16 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.58 2k5i h ARG 98 CO -0.19 0.75 0.51 0.35 -1.51 0.00 0.00 179.97 179.88 2k5i h PHE 99 N 0.64 0.95 -0.61 2.20 3.57 -1.71 -0.00 116.94 121.97 2k5i h PHE 99 Ca 0.12 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 2k5i h PHE 99 Cb 0.49 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 2k5i h PHE 99 CO 0.02 0.52 0.25 -0.07 -2.23 0.00 0.00 178.31 176.80 2k5i h LEU 100 N 0.97 0.84 -1.99 0.59 3.38 -0.40 -2.13 115.31 116.57 2k5i h LEU 100 Ca 0.34 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2k5i h LEU 100 Cb 0.07 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2k5i h LEU 100 CO -0.14 0.78 -0.08 0.15 0.09 0.00 0.00 178.44 179.24 2k5i h PHE 101 N 0.85 0.00 0.56 1.13 3.57 -0.52 -1.10 116.94 121.43 2k5i h PHE 101 Ca 0.21 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 2k5i h PHE 101 Cb 0.20 0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.94 2k5i h PHE 101 CO 0.01 0.08 -0.27 0.00 -2.23 0.00 0.00 178.31 175.90 2k5i h ARG 102 N 0.00 -0.72 0.00 1.11 2.47 -0.36 -3.16 114.38 113.72 2k5i h ARG 102 Ca -0.00 0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 2k5i h ARG 102 Cb 0.16 0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 28.64 2k5i h ARG 102 CO 0.01 -0.43 -0.04 0.52 0.56 0.00 0.00 179.97 180.59 2k5i h MET 103 N -0.88 0.00 -0.93 0.04 2.86 -1.04 0.98 114.93 115.96 2k5i h MET 103 Ca -0.08 0.00 0.18 0.00 -2.06 0.00 0.00 59.70 57.74 2k5i h MET 103 Cb 0.62 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.18 2k5i h MET 103 CO 0.13 0.04 0.51 0.87 1.06 0.00 0.00 176.91 179.51 2k5i h LYS 104 N 0.00 0.63 0.00 1.72 1.79 -1.19 0.20 116.57 119.72 2k5i h LYS 104 Ca -0.00 -0.04 -0.07 0.00 -2.18 0.00 0.00 60.65 58.36 2k5i h LYS 104 Cb 0.08 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.58 2k5i h LYS 104 CO 0.01 0.42 -0.39 -0.91 -1.08 0.00 0.00 179.45 177.49 2k5i h ASN 105 N 0.65 0.00 0.70 0.86 2.35 -0.84 -3.24 115.58 116.05 2k5i h ASN 105 Ca 0.53 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 56.04 2k5i h ASN 105 Cb 0.84 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.20 2k5i h ASN 105 CO -0.40 0.31 -1.11 -0.07 -1.65 0.00 0.00 177.43 174.51 2k5i h LEU 106 N 0.00 0.31 0.00 1.61 -0.00 -0.93 -3.49 115.31 112.81 2k5i h LEU 106 Ca -0.01 -0.31 0.00 0.00 -0.00 0.00 0.00 57.88 57.56 2k5i h LEU 106 Cb 1.25 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 2k5i h LEU 106 CO 0.04 1.21 0.00 0.61 -0.00 0.00 0.00 178.44 180.30 2k5i n GLY 107 N 1.36 2.23 3.59 0.83 0.00 0.60 -4.84 105.19 108.96 2k5i n GLY 107 Ca -0.06 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.32 3.46 0.00 -0.61 -0.00 -1.23 -4.80 121.20 117.71 2k5i s ILE 108 Ca 0.00 0.43 0.00 0.00 -0.00 0.00 0.00 60.65 61.08 2k5i s ILE 108 Cb 0.00 -3.73 0.00 0.00 -0.00 0.00 0.00 42.46 38.73 2k5i s ILE 108 CO 0.00 -0.53 0.00 -0.62 -0.00 0.00 0.00 174.94 173.79 2k5i n GLU 109 N 8.59 0.00 -3.66 0.37 1.02 -1.26 -4.57 120.64 121.13 2k5i n GLU 109 Ca 0.22 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.29 2k5i n GLU 109 Cb 0.48 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.82 2k5i n GLU 109 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2k5i s SER 110 N 1.00 -0.80 0.00 1.62 1.04 -1.26 -4.44 113.70 110.86 2k5i s SER 110 Ca 0.00 1.31 0.00 0.00 0.48 0.00 0.00 55.95 57.74 2k5i s SER 110 Cb 0.00 1.37 0.00 0.00 0.10 0.00 0.00 66.02 67.49 2k5i s SER 110 CO 0.00 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.61 2k5i n GLY 111 N 4.60 0.66 3.74 7.32 0.00 -0.43 -5.00 105.19 116.07 2k5i n GLY 111 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.10 4.66 -0.28 1.61 -0.14 -1.26 -4.85 119.74 119.37 2k5i s LYS 112 Ca 0.00 1.35 -0.19 0.00 -1.36 0.00 0.00 55.97 55.77 2k5i s LYS 112 Cb 0.00 -3.36 -0.02 0.00 -1.68 0.00 0.00 37.83 32.77 2k5i s LYS 112 CO 0.00 0.27 0.57 0.15 -0.76 0.00 0.00 175.35 175.57 2k5i s LYS 113 N -0.14 3.97 -0.22 1.68 3.01 -1.26 -1.63 119.74 125.15 2k5i s LYS 113 Ca 0.44 0.30 -0.10 0.00 -1.01 0.00 0.00 55.97 55.60 2k5i s LYS 113 Cb -0.23 -3.69 -0.05 0.00 -1.01 0.00 0.00 37.83 32.85 2k5i s LYS 113 CO 0.28 -0.46 0.14 -1.50 0.51 0.00 0.00 175.35 174.32 2k5i s ILE 114 N 2.45 5.31 -0.21 2.17 1.10 0.52 -4.66 121.20 127.87 2k5i s ILE 114 Ca 0.23 0.16 -0.14 0.00 -0.51 0.00 0.00 60.65 60.39 2k5i s ILE 114 Cb -0.15 -3.45 -0.04 0.00 0.15 0.00 0.00 42.46 38.97 2k5i s ILE 114 CO 0.10 0.40 0.31 -1.10 -2.11 0.00 0.00 174.94 172.54 2k5i s GLN 115 N 0.71 4.14 -0.52 3.50 -1.52 -0.45 -2.04 119.66 123.48 2k5i s GLN 115 Ca 0.07 0.03 -0.20 0.00 -1.95 0.00 0.00 55.36 53.31 2k5i s GLN 115 Cb -0.12 -3.53 0.06 0.00 -0.22 0.00 0.00 33.01 29.19 2k5i s GLN 115 CO 0.01 0.01 0.70 0.08 -0.25 0.00 0.00 175.29 175.85 2k5i s VAL 116 N 1.19 4.75 0.02 1.09 1.01 -0.75 -1.07 120.40 126.64 2k5i s VAL 116 Ca 0.15 -0.35 -0.20 0.00 0.00 0.00 0.00 61.98 61.58 2k5i s VAL 116 Cb -0.14 -4.37 0.04 0.00 0.00 0.00 0.00 36.38 31.91 2k5i s VAL 116 CO 0.06 -0.90 0.45 -0.44 0.00 0.00 0.00 175.10 174.27 2k5i s SER 117 N 2.79 -0.35 -1.58 3.32 0.01 -0.84 -4.37 113.70 112.67 2k5i s SER 117 Ca 0.18 0.16 -0.00 0.00 1.31 0.00 0.00 55.95 57.60 2k5i s SER 117 Cb -0.18 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.48 2k5i s SER 117 CO 0.13 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.78 2k5i n GLY 118 N 0.73 -0.50 2.86 3.44 0.00 -1.26 -0.91 105.19 109.55 2k5i n GLY 118 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2k5i n GLY 118 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k5i n ARG 119 N -2.96 -1.43 -2.66 1.61 3.00 -1.26 -4.93 116.66 108.02 2k5i n ARG 119 Ca -0.22 0.36 -0.07 0.00 -0.00 0.00 0.00 57.85 57.92 2k5i n ARG 119 Cb 0.67 -4.52 -0.02 0.00 0.00 0.00 0.00 32.46 28.59 2k5i n ARG 119 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 2k5i n ARG 120 N -0.05 0.91 -4.82 -0.14 1.85 -0.09 -5.16 116.66 109.16 2k5i n ARG 120 Ca 0.00 -0.95 -0.33 0.00 -1.00 0.00 0.00 57.85 55.58 2k5i n ARG 120 Cb 0.36 0.49 -0.14 0.00 -1.05 0.00 0.00 32.46 32.12 2k5i n ARG 120 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2k5i s TYR 121 N -1.91 2.78 -0.12 2.89 2.02 -1.26 -1.99 117.35 119.76 2k5i s TYR 121 Ca 0.05 -0.58 0.03 0.00 -0.37 0.00 0.00 57.07 56.20 2k5i s TYR 121 Cb 0.00 -1.80 0.01 0.00 -0.40 0.00 0.00 41.96 39.77 2k5i s TYR 121 CO 0.04 -0.16 -0.22 0.71 -1.57 0.00 0.00 175.55 174.35 2k5i s TYR 122 N 0.18 2.53 -0.34 2.71 2.02 -0.24 -1.21 117.35 123.00 2k5i s TYR 122 Ca -0.08 -1.15 0.03 0.00 -0.37 0.00 0.00 57.07 55.50 2k5i s TYR 122 Cb -0.15 -1.71 0.10 0.00 -0.40 0.00 0.00 41.96 39.79 2k5i s TYR 122 CO 0.05 -0.50 0.04 0.42 -1.57 0.00 0.00 175.55 173.99 2k5i s ILE 123 N 0.61 2.37 -1.94 2.71 -1.09 -0.36 -1.35 121.20 122.15 2k5i s ILE 123 Ca -0.13 -2.23 0.00 0.00 -2.23 0.00 0.00 60.65 56.07 2k5i s ILE 123 Cb -0.17 -2.69 0.00 0.00 -1.58 0.00 0.00 42.46 38.02 2k5i s ILE 123 CO 0.03 -0.54 0.00 -0.62 -1.23 0.00 0.00 174.94 172.59 2k5i n GLU 124 N 4.31 -1.58 -0.00 2.79 1.02 -1.26 -0.20 120.64 125.71 2k5i n GLU 124 Ca 0.01 1.09 0.00 0.00 -0.02 0.00 0.00 57.16 58.24 2k5i n GLU 124 Cb 0.42 -5.60 0.00 0.00 -0.02 0.00 0.00 31.44 26.24 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 -0.67 0.27 3.60 0.62 0.00 -1.26 -5.06 105.19 102.69 2k5i n GLY 125 Ca -0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.99 3.93 -0.16 1.61 3.00 0.72 -5.04 118.95 122.02 2k5i s ARG 126 Ca 0.00 0.27 -0.29 0.00 -1.00 0.00 0.00 55.73 54.71 2k5i s ARG 126 Cb 0.00 -3.71 -0.02 0.00 0.00 0.00 0.00 34.95 31.22 2k5i s ARG 126 CO 0.00 -0.50 1.34 -2.00 0.00 0.00 0.00 175.30 174.13 2k5i s GLU 127 N 2.49 4.18 -0.55 5.12 -6.30 -1.26 -1.23 118.70 121.16 2k5i s GLU 127 Ca 0.23 1.70 -0.20 0.00 -2.50 0.00 0.00 54.97 54.21 2k5i s GLU 127 Cb -0.15 -3.82 0.07 0.00 0.00 0.00 0.00 34.13 30.23 2k5i s GLU 127 CO 0.11 -0.78 0.72 0.42 0.02 0.00 0.00 175.26 175.74 2k5i s ILE 128 N 3.71 4.75 -0.54 -3.70 -1.09 -0.35 -4.99 121.20 118.99 2k5i s ILE 128 Ca 0.58 -0.50 -0.28 0.00 -2.23 0.00 0.00 60.65 58.23 2k5i s ILE 128 Cb -0.23 -4.41 0.02 0.00 -1.58 0.00 0.00 42.46 36.25 2k5i s ILE 128 CO 0.18 -0.98 1.38 -0.62 -1.23 0.00 0.00 174.94 173.67 2k5i s ASP 129 N 3.02 6.21 -0.17 3.58 2.15 -1.26 -4.43 116.67 125.76 2k5i s ASP 129 Ca 0.17 0.34 0.01 0.00 0.43 0.00 0.00 52.55 53.49 2k5i s ASP 129 Cb -0.19 -2.55 0.03 0.00 -0.30 0.00 0.00 42.92 39.91 2k5i s ASP 129 CO 0.11 -1.63 -0.13 -0.76 -0.17 0.00 0.00 175.17 172.59 2k5i s LEU 130 N 5.79 1.97 1.10 -1.34 1.43 -1.26 -5.05 118.68 121.32 2k5i s LEU 130 Ca 0.52 -0.67 -0.19 0.00 -1.03 0.00 0.00 54.13 52.77 2k5i s LEU 130 Cb -0.11 -1.22 0.26 0.00 0.03 0.00 0.00 46.19 45.16 2k5i s LEU 130 CO 0.26 -0.09 1.25 -0.83 0.23 0.00 0.00 176.35 177.17 2k5i s GLY 131 N 1.44 1.73 0.17 -3.19 0.00 -1.26 -4.72 107.32 101.49 2k5i s GLY 131 Ca 0.02 -1.22 -0.14 0.00 0.00 0.00 0.00 44.72 43.38 2k5i s GLY 131 CO -0.10 -0.34 1.74 -1.82 0.00 0.00 0.00 173.10 172.58 2k5i h TYR 132 N -2.17 0.21 0.04 1.90 3.20 -2.00 0.49 116.97 118.64 2k5i h TYR 132 Ca -0.43 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.46 2k5i h TYR 132 Cb 1.24 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.48 2k5i h TYR 132 CO -1.99 0.06 -0.02 0.78 -1.64 0.00 0.00 178.16 175.35 2k5i h GLY 133 N 0.27 -0.06 0.80 1.82 0.00 -1.99 -2.86 103.07 101.05 2k5i h GLY 133 Ca 0.21 0.02 0.07 0.00 0.00 0.00 0.00 47.33 47.63 2k5i h GLY 133 CO -0.24 -0.02 0.61 0.83 0.00 0.00 0.00 176.54 177.72 2k5i h GLU 134 N -0.16 1.03 -0.30 4.80 3.07 -1.83 -1.27 114.58 119.93 2k5i h GLU 134 Ca -0.01 -0.06 0.01 0.00 -0.50 0.00 0.00 59.36 58.80 2k5i h GLU 134 Cb 0.14 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 27.80 2k5i h GLU 134 CO 0.01 0.68 0.20 0.00 -1.40 0.00 0.00 179.01 178.50 2k5i h ALA 135 N 1.50 1.82 -0.01 3.43 0.00 -0.71 -0.43 119.26 124.86 2k5i h ALA 135 Ca 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2k5i h ALA 135 Cb 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2k5i h ALA 135 CO -0.16 0.16 -0.35 -2.37 0.00 0.00 0.00 179.25 176.52 2k5i n THR 136 N -4.49 0.00 -0.02 0.00 5.66 -0.58 -0.86 114.28 113.98 2k5i n THR 136 Ca 0.02 -0.12 -0.12 0.00 -3.05 0.00 0.00 64.05 60.77 2k5i n THR 136 Cb 0.09 0.51 -0.14 0.00 -1.55 0.00 0.00 70.33 69.24 2k5i n THR 136 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2k5i n LYS 137 N -0.74 0.67 -3.09 1.09 5.02 -0.29 -4.82 118.16 116.00 2k5i n LYS 137 Ca 0.10 0.26 -0.41 0.00 -2.02 0.00 0.00 58.31 56.24 2k5i n LYS 137 Cb 0.36 -1.74 -0.06 0.00 -0.02 0.00 0.00 35.03 33.57 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 -2.58 4.92 -0.16 -0.18 1.09 -0.51 -1.50 121.20 122.28 2k5i s ILE 138 Ca -0.11 0.90 -0.07 0.00 -1.10 0.00 0.00 60.65 60.27 2k5i s ILE 138 Cb 0.07 -4.02 -0.04 0.00 -1.06 0.00 0.00 42.46 37.42 2k5i s ILE 138 CO 0.80 -0.15 0.07 0.26 -0.10 0.00 0.00 174.94 175.82 2k5i s TRP 139 N 2.65 3.30 0.35 3.97 0.52 -0.96 -1.74 118.94 127.02 2k5i s TRP 139 Ca 0.26 0.17 0.03 0.00 0.02 0.00 0.00 56.10 56.58 2k5i s TRP 139 Cb -0.15 -2.03 -0.04 0.00 -1.15 0.00 0.00 33.47 30.10 2k5i s TRP 139 CO 0.12 0.28 0.12 0.14 0.02 0.00 0.00 176.95 177.63 2k5i s VAL 140 N 0.03 0.63 0.03 4.03 -7.23 -0.07 -0.99 120.40 116.83 2k5i s VAL 140 Ca 0.06 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.26 2k5i s VAL 140 Cb -0.12 -2.52 -0.02 0.00 0.56 0.00 0.00 36.38 34.28 2k5i s VAL 140 CO 0.01 0.00 -0.09 -0.13 -0.31 0.00 0.00 175.10 174.57 2k5i s ARG 141 N -3.81 0.64 -0.35 4.82 0.52 0.54 -0.86 118.95 120.44 2k5i s ARG 141 Ca 0.31 -0.62 -0.28 0.00 -0.52 0.00 0.00 55.73 54.63 2k5i s ARG 141 Cb 0.05 -0.54 -0.01 0.00 0.52 0.00 0.00 34.95 34.97 2k5i s ARG 141 CO 0.16 0.13 1.73 0.50 0.02 0.00 0.00 175.30 177.84 2k5i s ARG 142 N -1.07 3.35 -0.09 3.54 6.06 -1.26 -0.33 118.95 129.15 2k5i s ARG 142 Ca -0.03 1.31 0.11 0.00 -2.50 0.00 0.00 55.73 54.62 2k5i s ARG 142 Cb -0.07 -4.18 -0.16 0.00 0.06 0.00 0.00 34.95 30.60 2k5i s ARG 142 CO 0.01 -1.84 0.10 1.33 -2.50 0.00 0.00 175.30 172.39 2k5i n VAL 143 N 7.35 0.63 0.00 7.11 0.24 -1.06 -4.95 118.33 127.65 2k5i n VAL 143 Ca 0.22 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 2k5i n VAL 143 Cb 0.47 -0.47 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 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 -2.33 0.00 -4.70 -1.34 2.88 -0.69 -4.91 113.62 102.53 2k5i n SER 144 Ca -0.16 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 56.96 2k5i n SER 144 Cb 0.76 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.19 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 0.00 6.72 0.00 -3.46 1.01 -1.26 -4.34 116.67 115.34 2k5i s ASP 145 Ca 0.00 2.39 0.00 0.00 0.71 0.00 0.00 52.55 55.65 2k5i s ASP 145 Cb 0.00 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.35 2k5i s ASP 145 CO 0.00 -0.77 0.33 0.00 0.21 0.00 0.00 175.17 174.94 2k5i n ALA 146 N 4.69 0.80 -0.84 5.23 0.00 -1.26 -4.98 120.51 124.15 2k5i n ALA 146 Ca 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2k5i n ALA 146 Cb 0.41 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.71 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 0.00 0.73 3.68 0.00 0.00 -1.26 -5.03 105.19 103.31 2k5i n GLY 147 Ca -0.07 -0.22 -0.45 0.00 0.00 0.00 0.00 46.02 45.28 2k5i n GLY 147 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k5i n GLU 148 N -0.28 2.43 -0.14 1.61 1.02 -1.26 -4.90 120.64 119.12 2k5i n GLU 148 Ca 0.00 0.89 0.00 0.00 -0.02 0.00 0.00 57.16 58.03 2k5i n GLU 148 Cb 0.19 -2.74 0.00 0.00 -0.02 0.00 0.00 31.44 28.87 2k5i n GLU 148 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2k5i n GLU 149 N 5.75 0.47 -1.51 3.49 0.00 -1.26 -0.19 120.64 127.39 2k5i n GLU 149 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.95 2k5i n GLU 149 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.75 2k5i n GLU 149 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2k5i n SER 150 N -2.27 4.30 -1.07 -1.84 2.88 -1.26 -4.02 113.62 110.35 2k5i n SER 150 Ca 0.00 -2.75 0.00 0.00 -1.33 0.00 0.00 58.87 54.79 2k5i n SER 150 Cb 0.00 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 61.95 2k5i n SER 150 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2k5i n HIS 151 N 5.95 -2.92 -0.19 0.66 8.25 -1.26 -5.02 115.22 120.69 2k5i n HIS 151 Ca 0.55 1.58 0.00 0.00 -0.26 0.00 0.00 57.72 59.59 2k5i n HIS 151 Cb 0.36 -2.62 0.00 0.00 1.12 0.00 0.00 29.99 28.85 2k5i n HIS 151 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2k5i n PRO 152 N -2.14 0.79 -0.88 -0.41 -0.04 -1.26 -4.98 135.00 126.08 2k5i n PRO 152 Ca 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.53 2k5i n PRO 152 Cb 0.30 0.00 0.40 0.00 -0.04 0.00 0.00 33.50 34.16 2k5i n PRO 152 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k5i n GLN 153 N -0.20 4.81 -4.31 0.54 0.00 -1.26 -4.91 117.38 112.05 2k5i n GLN 153 Ca 0.00 -3.08 -0.35 0.00 0.00 0.00 0.00 57.00 53.57 2k5i n GLN 153 Cb 0.00 -2.25 -0.10 0.00 0.00 0.00 0.00 30.24 27.89 2k5i n GLN 153 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2k5i s LYS 154 N -2.71 3.30 0.55 2.61 3.01 -1.26 -5.11 119.74 120.13 2k5i s LYS 154 Ca 0.53 -0.42 -0.17 0.00 -1.01 0.00 0.00 55.97 54.91 2k5i s LYS 154 Cb 0.41 -2.89 -0.06 0.00 -1.01 0.00 0.00 37.83 34.28 2k5i s LYS 154 CO 0.16 0.54 1.04 -0.48 0.51 0.00 0.00 175.35 177.11 2k5i s LEU 155 N -0.41 3.60 0.00 3.17 2.34 -1.26 -4.43 118.68 121.69 2k5i s LEU 155 Ca 0.08 1.79 0.00 0.00 0.06 0.00 0.00 54.13 56.05 2k5i s LEU 155 Cb -0.12 -4.53 0.00 0.00 -0.56 0.00 0.00 46.19 40.98 2k5i s LEU 155 CO 0.02 -0.96 0.00 -0.62 -1.06 0.00 0.00 176.35 173.73 2k5i n GLU 156 N -1.71 0.00 -2.23 1.48 1.02 -1.26 -4.71 120.64 113.23 2k5i n GLU 156 Ca 0.08 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.83 2k5i n GLU 156 Cb 0.53 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.92 2k5i n GLU 156 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2k5i s HIS 157 N 0.00 1.90 0.42 -0.32 2.46 -1.26 -4.97 115.29 113.52 2k5i s HIS 157 Ca 0.00 0.46 0.01 0.00 0.47 0.00 0.00 55.06 56.01 2k5i s HIS 157 Cb 0.00 -4.29 0.01 0.00 -0.13 0.00 0.00 32.58 28.17 2k5i s HIS 157 CO 0.00 -2.21 0.11 0.72 -2.47 0.00 0.00 174.74 170.89 2k5i n HIS 158 N 11.52 0.39 -4.57 3.88 8.25 -1.26 -4.62 115.22 128.80 2k5i n HIS 158 Ca 0.15 -1.98 -0.27 0.00 -0.26 0.00 0.00 57.72 55.36 2k5i n HIS 158 Cb 0.51 -0.30 -0.08 0.00 1.12 0.00 0.00 29.99 31.23 2k5i n HIS 158 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2k5i s HIS 159 N -2.39 1.85 1.22 4.41 -3.43 -1.26 -5.02 115.29 110.67 2k5i s HIS 159 Ca 0.08 -1.15 -0.19 0.00 -0.80 0.00 0.00 55.06 53.00 2k5i s HIS 159 Cb -0.01 -1.30 0.29 0.00 -1.43 0.00 0.00 32.58 30.14 2k5i s HIS 159 CO 0.05 -0.12 1.09 -1.01 -2.00 0.00 0.00 174.74 172.76 2k5i s HIS 160 N -3.12 0.40 0.15 0.38 0.09 -1.26 -4.44 115.29 107.48 2k5i s HIS 160 Ca 0.21 0.51 0.04 0.00 -0.00 0.00 0.00 55.06 55.82 2k5i s HIS 160 Cb 0.03 -3.40 -0.04 0.00 -0.00 0.00 0.00 32.58 29.16 2k5i s HIS 160 CO 0.12 -3.98 -0.08 -3.38 -0.00 0.00 0.00 174.74 167.42 2k5i s HIS 161 N -2.94 1.24 -2.00 1.40 -3.43 -1.26 -4.29 115.29 104.02 2k5i s HIS 161 Ca 0.71 -0.81 0.02 0.00 -0.80 0.00 0.00 55.06 54.18 2k5i s HIS 161 Cb -0.10 -0.65 0.13 0.00 -1.43 0.00 0.00 32.58 30.52 2k5i s HIS 161 CO 0.56 0.02 0.62 -2.39 -2.00 0.00 0.00 174.74 171.55