#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1b n GLN 2 N 0.00 -0.97 -3.64 3.44 1.13 -1.26 -4.90 117.38 111.17 2k1b n GLN 2 Ca 0.00 0.24 -0.06 0.00 -1.94 0.00 0.00 57.00 55.25 2k1b n GLN 2 Cb 0.00 -4.13 -0.07 0.00 0.11 0.00 0.00 30.24 26.15 2k1b n GLN 2 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2k1b s VAL 3 N -1.54 0.00 0.05 5.09 0.11 -1.26 -5.19 120.40 117.66 2k1b s VAL 3 Ca 0.00 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 58.91 2k1b s VAL 3 Cb 0.00 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.87 2k1b s VAL 3 CO 0.00 0.00 0.32 0.72 -3.33 0.00 0.00 175.10 172.81 2k1b s PHE 4 N 0.11 -0.12 0.32 1.54 -0.71 -1.26 -5.19 117.98 112.68 2k1b s PHE 4 Ca 0.05 -0.04 0.04 0.00 -1.04 0.00 0.00 56.93 55.95 2k1b s PHE 4 Cb -0.05 0.11 -0.02 0.00 -1.21 0.00 0.00 43.02 41.85 2k1b s PHE 4 CO -0.11 -0.53 0.31 0.00 -1.34 0.00 0.00 175.22 173.55 2k1b s ALA 5 N -2.69 1.56 0.58 1.99 0.00 -1.26 -5.07 121.76 116.88 2k1b s ALA 5 Ca -0.04 -1.92 -0.19 0.00 0.00 0.00 0.00 51.96 49.81 2k1b s ALA 5 Cb -0.00 1.40 -0.04 0.00 0.00 0.00 0.00 23.12 24.48 2k1b s ALA 5 CO -0.04 -0.69 1.18 0.54 0.00 0.00 0.00 175.76 176.76 2k1b s VAL 6 N -3.42 2.78 0.11 0.00 0.11 -1.26 -4.98 120.40 113.74 2k1b s VAL 6 Ca 0.38 0.48 -0.16 0.00 -2.93 0.00 0.00 61.98 59.75 2k1b s VAL 6 Cb 0.02 -3.18 -0.04 0.00 -1.53 0.00 0.00 36.38 31.65 2k1b s VAL 6 CO 0.25 -0.11 1.57 1.05 -3.33 0.00 0.00 175.10 174.53 2k1b h GLU 7 N 0.93 0.60 -2.01 1.54 4.11 -1.96 -3.49 114.58 114.30 2k1b h GLU 7 Ca -0.50 -0.18 0.25 0.00 0.07 0.00 0.00 59.36 59.00 2k1b h GLU 7 Cb 1.29 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 30.39 2k1b h GLU 7 CO 0.55 0.70 0.69 0.45 0.07 0.00 0.00 179.01 181.47 2k1b s SER 8 N -6.06 -0.07 -0.20 3.06 0.15 -1.26 -5.03 113.70 104.29 2k1b s SER 8 Ca -0.13 -0.33 -0.07 0.00 0.70 0.00 0.00 55.95 56.12 2k1b s SER 8 Cb 0.09 0.32 -0.04 0.00 -1.71 0.00 0.00 66.02 64.69 2k1b s SER 8 CO 0.77 -0.62 0.05 -0.63 1.20 0.00 0.00 173.24 174.01 2k1b s ILE 9 N -2.59 4.54 -0.01 6.45 1.01 -1.26 -1.92 121.20 127.42 2k1b s ILE 9 Ca 0.17 -0.12 -0.24 0.00 0.00 0.00 0.00 60.65 60.46 2k1b s ILE 9 Cb 0.01 -3.06 -0.16 0.00 0.01 0.00 0.00 42.46 39.26 2k1b s ILE 9 CO 0.00 0.43 1.13 -0.09 0.00 0.00 0.00 174.94 176.42 2k1b h ARG 10 N 7.09 -0.35 -2.82 2.79 1.12 -1.35 -3.44 114.38 117.42 2k1b h ARG 10 Ca -0.36 0.02 0.03 0.00 -1.11 0.00 0.00 59.98 58.57 2k1b h ARG 10 Cb 1.17 0.08 -0.11 0.00 -0.01 0.00 0.00 29.97 31.10 2k1b h ARG 10 CO 0.66 -0.00 0.29 -1.59 -3.11 0.00 0.00 179.97 176.21 2k1b s LYS 11 N -4.33 1.27 0.47 0.20 -2.85 -1.25 -5.04 119.74 108.22 2k1b s LYS 11 Ca -0.14 -0.54 0.07 0.00 -1.00 0.00 0.00 55.97 54.37 2k1b s LYS 11 Cb 0.02 0.54 0.01 0.00 -2.06 0.00 0.00 37.83 36.33 2k1b s LYS 11 CO 0.52 -0.56 0.44 -1.59 0.10 0.00 0.00 175.35 174.26 2k1b s LYS 12 N -3.63 2.44 -0.24 1.78 -2.85 -1.26 -0.73 119.74 115.26 2k1b s LYS 12 Ca 0.04 -1.66 -0.20 0.00 -1.00 0.00 0.00 55.97 53.15 2k1b s LYS 12 Cb -0.02 -2.35 0.06 0.00 -2.06 0.00 0.00 37.83 33.46 2k1b s LYS 12 CO -0.08 -0.38 0.62 0.50 0.10 0.00 0.00 175.35 176.11 2k1b s ARG 13 N -4.24 0.70 -0.38 1.78 3.52 -0.29 -4.94 118.95 115.11 2k1b s ARG 13 Ca 0.46 0.91 -0.24 0.00 -0.13 0.00 0.00 55.73 56.74 2k1b s ARG 13 Cb -0.03 0.30 0.01 0.00 -1.56 0.00 0.00 34.95 33.67 2k1b s ARG 13 CO 0.28 -0.10 0.82 0.08 -0.81 0.00 0.00 175.30 175.57 2k1b s VAL 14 N 0.58 4.68 -0.14 7.11 1.01 -1.26 -0.96 120.40 131.42 2k1b s VAL 14 Ca -0.02 0.91 -0.15 0.00 0.00 0.00 0.00 61.98 62.72 2k1b s VAL 14 Cb -0.05 -4.26 0.04 0.00 0.00 0.00 0.00 36.38 32.11 2k1b s VAL 14 CO -0.03 -0.51 0.41 -0.60 0.00 0.00 0.00 175.10 174.38 2k1b s ARG 15 N 3.24 0.52 -1.67 2.72 3.00 -0.34 -4.86 118.95 121.55 2k1b s ARG 15 Ca 0.33 0.51 0.00 0.00 -1.00 0.00 0.00 55.73 55.57 2k1b s ARG 15 Cb -0.13 0.25 0.00 0.00 0.00 0.00 0.00 34.95 35.07 2k1b s ARG 15 CO 0.18 -0.07 0.00 0.36 0.00 0.00 0.00 175.30 175.77 2k1b n LYS 16 N 2.68 -1.69 -1.12 5.12 2.85 -1.26 -1.14 118.16 123.59 2k1b n LYS 16 Ca -0.14 0.94 -0.04 0.00 -1.05 0.00 0.00 58.31 58.01 2k1b n LYS 16 Cb 0.57 -5.46 -0.02 0.00 -0.65 0.00 0.00 35.03 29.47 2k1b n LYS 16 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2k1b n GLY 17 N -0.71 0.69 2.97 2.58 0.00 -1.26 -5.03 105.19 104.43 2k1b n GLY 17 Ca -0.20 -0.55 -0.17 0.00 0.00 0.00 0.00 46.02 45.10 2k1b n GLY 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k1b s LYS 18 N -1.91 0.57 -0.45 1.61 2.47 -0.29 -5.11 119.74 116.63 2k1b s LYS 18 Ca 0.00 -0.22 -0.29 0.00 -1.56 0.00 0.00 55.97 53.90 2k1b s LYS 18 Cb 0.00 -0.56 0.03 0.00 -1.46 0.00 0.00 37.83 35.84 2k1b s LYS 18 CO 0.00 0.12 1.10 0.08 0.16 0.00 0.00 175.35 176.81 2k1b s VAL 19 N -0.02 4.28 -0.03 4.02 1.01 -1.26 -1.20 120.40 127.19 2k1b s VAL 19 Ca 0.01 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.24 2k1b s VAL 19 Cb -0.04 -4.56 -0.03 0.00 0.00 0.00 0.00 36.38 31.75 2k1b s VAL 19 CO -0.00 -0.91 0.01 -1.61 0.00 0.00 0.00 175.10 172.58 2k1b s GLU 20 N 4.26 2.89 -0.19 2.72 2.02 -0.13 -2.39 118.70 127.88 2k1b s GLU 20 Ca 0.46 -0.52 -0.01 0.00 0.02 0.00 0.00 54.97 54.93 2k1b s GLU 20 Cb -0.08 -2.74 0.01 0.00 0.10 0.00 0.00 34.13 31.42 2k1b s GLU 20 CO 0.29 0.66 -0.14 0.71 0.02 0.00 0.00 175.26 176.80 2k1b s TYR 21 N -1.02 2.84 -0.44 1.61 2.02 0.06 -1.14 117.35 121.28 2k1b s TYR 21 Ca 0.17 -1.28 -0.28 0.00 -0.37 0.00 0.00 57.07 55.31 2k1b s TYR 21 Cb -0.11 -1.97 -0.00 0.00 -0.40 0.00 0.00 41.96 39.47 2k1b s TYR 21 CO 0.08 -0.65 1.59 -1.17 -1.57 0.00 0.00 175.55 173.82 2k1b s LEU 22 N 1.25 3.49 -0.20 -1.29 2.96 0.09 -1.67 118.68 123.31 2k1b s LEU 22 Ca 0.03 0.80 -0.18 0.00 -0.22 0.00 0.00 54.13 54.56 2k1b s LEU 22 Cb -0.14 -3.31 -0.03 0.00 0.50 0.00 0.00 46.19 43.21 2k1b s LEU 22 CO -0.07 -1.69 0.51 0.68 -1.32 0.00 0.00 176.35 174.46 2k1b s VAL 23 N 6.46 5.11 -0.37 1.68 -7.23 -0.51 -0.85 120.40 124.70 2k1b s VAL 23 Ca 0.66 0.94 -0.29 0.00 -1.81 0.00 0.00 61.98 61.48 2k1b s VAL 23 Cb -0.16 -3.83 0.01 0.00 0.56 0.00 0.00 36.38 32.96 2k1b s VAL 23 CO 0.30 0.18 1.27 -0.54 -0.31 0.00 0.00 175.10 176.00 2k1b s LYS 24 N 1.60 3.80 0.01 4.82 -0.14 -0.81 -3.78 119.74 125.25 2k1b s LYS 24 Ca 0.24 1.00 -0.30 0.00 -1.36 0.00 0.00 55.97 55.54 2k1b s LYS 24 Cb -0.15 -3.91 -0.04 0.00 -1.68 0.00 0.00 37.83 32.05 2k1b s LYS 24 CO 0.10 -1.27 1.11 -1.58 -0.76 0.00 0.00 175.35 172.94 2k1b s TRP 25 N 4.60 3.48 0.59 3.18 0.52 -1.26 -3.84 118.94 126.21 2k1b s TRP 25 Ca 0.55 1.45 0.29 0.00 0.02 0.00 0.00 56.10 58.40 2k1b s TRP 25 Cb -0.13 -3.30 1.76 0.00 -1.15 0.00 0.00 33.47 30.65 2k1b s TRP 25 CO 0.27 -0.78 2.22 0.87 0.02 0.00 0.00 176.95 179.56 2k1b h LYS 26 N 6.92 0.00 0.00 4.98 1.57 -1.94 -2.38 116.57 125.71 2k1b h LYS 26 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 2k1b h LYS 26 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2k1b h LYS 26 CO 0.80 0.00 -0.19 0.41 -0.57 0.00 0.00 179.45 179.91 2k1b n GLY 27 N -1.35 1.67 3.22 3.86 0.00 -1.26 -5.08 105.19 106.25 2k1b n GLY 27 Ca -0.02 -0.36 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 2k1b n GLY 27 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2k1b s TRP 28 N -1.06 1.56 0.77 1.61 0.52 -0.90 -5.16 118.94 116.29 2k1b s TRP 28 Ca 0.10 -0.39 -0.14 0.00 0.02 0.00 0.00 56.10 55.69 2k1b s TRP 28 Cb 0.09 -0.90 0.06 0.00 -1.15 0.00 0.00 33.47 31.58 2k1b s TRP 28 CO 0.01 0.11 1.18 -1.25 0.02 0.00 0.00 176.95 177.02 2k1b s PRO 29 N -1.47 1.90 0.00 4.98 0.04 -1.26 -4.40 135.00 134.80 2k1b s PRO 29 Ca 0.04 1.66 0.08 0.00 0.04 0.00 0.00 61.00 62.82 2k1b s PRO 29 Cb -0.09 -1.82 0.38 0.00 0.04 0.00 0.00 34.50 33.01 2k1b s PRO 29 CO 0.02 -1.99 1.15 -0.35 0.04 0.00 0.00 177.00 175.87 2k1b n PRO 30 N -3.12 0.08 0.20 0.56 -0.04 -1.26 -1.65 135.00 129.77 2k1b n PRO 30 Ca 0.13 0.25 0.06 0.00 -0.04 0.00 0.00 63.50 63.90 2k1b n PRO 30 Cb 0.51 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.89 2k1b n PRO 30 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 2k1b h LYS 31 N 0.00 0.00 0.00 0.54 2.10 -2.00 -2.85 116.57 114.36 2k1b h LYS 31 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2k1b h LYS 31 Cb 0.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 2k1b h LYS 31 CO 0.00 0.33 -0.56 0.66 -2.00 0.00 0.00 179.45 177.87 2k1b n TYR 32 N -3.70 0.30 -1.69 0.07 4.01 -0.66 -4.93 117.16 110.56 2k1b n TYR 32 Ca -0.01 0.09 -0.43 0.00 -0.16 0.00 0.00 57.90 57.38 2k1b n TYR 32 Cb 0.43 -0.48 -0.03 0.00 -0.31 0.00 0.00 39.34 38.94 2k1b n TYR 32 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2k1b n SER 33 N -1.84 3.80 -4.82 7.72 7.64 -1.08 -4.98 113.62 120.07 2k1b n SER 33 Ca 0.04 1.02 -0.22 0.00 1.01 0.00 0.00 58.87 60.73 2k1b n SER 33 Cb 0.39 -1.52 -0.04 0.00 -1.01 0.00 0.00 64.21 62.03 2k1b n SER 33 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2k1b s THR 34 N 2.06 4.38 -0.36 0.44 -4.23 -1.25 -4.83 115.64 111.85 2k1b s THR 34 Ca 0.80 -1.41 -0.14 0.00 -1.18 0.00 0.00 61.69 59.77 2k1b s THR 34 Cb -0.54 -3.38 -0.00 0.00 1.34 0.00 0.00 72.50 69.91 2k1b s THR 34 CO 0.37 -0.34 0.26 0.26 -0.54 0.00 0.00 174.62 174.63 2k1b s TRP 35 N -2.15 3.23 -0.19 3.99 0.52 -1.26 -1.42 118.94 121.67 2k1b s TRP 35 Ca 0.33 -0.35 -0.02 0.00 0.02 0.00 0.00 56.10 56.08 2k1b s TRP 35 Cb -0.08 -2.51 -0.01 0.00 -1.15 0.00 0.00 33.47 29.72 2k1b s TRP 35 CO 0.25 -0.44 -0.08 -1.83 0.02 0.00 0.00 176.95 174.87 2k1b s GLU 36 N 1.71 3.38 1.20 4.98 -1.05 -0.67 -4.82 118.70 123.43 2k1b s GLU 36 Ca 0.06 -0.65 -0.15 0.00 -0.15 0.00 0.00 54.97 54.08 2k1b s GLU 36 Cb -0.18 -2.87 0.26 0.00 -0.44 0.00 0.00 34.13 30.91 2k1b s GLU 36 CO 0.10 -0.05 0.74 -0.35 0.95 0.00 0.00 175.26 176.65 2k1b n PRO 37 N 4.32 -2.57 0.21 -4.83 -0.04 -1.26 -0.76 135.00 130.06 2k1b n PRO 37 Ca -0.18 -0.73 0.18 0.00 -0.04 0.00 0.00 63.50 62.73 2k1b n PRO 37 Cb 0.51 -2.01 0.79 0.00 -0.04 0.00 0.00 33.50 32.76 2k1b n PRO 37 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k1b h GLU 38 N -2.67 0.00 -0.23 0.54 5.08 -1.87 -1.51 114.58 113.92 2k1b h GLU 38 Ca -0.60 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.64 2k1b h GLU 38 Cb 1.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 2k1b h GLU 38 CO 0.45 0.00 -0.40 1.05 -1.00 0.00 0.00 179.01 179.11 2k1b h GLU 39 N 0.00 0.54 -0.10 2.33 4.11 -1.90 -3.27 114.58 116.29 2k1b h GLU 39 Ca 0.10 -0.27 0.00 0.00 0.07 0.00 0.00 59.36 59.26 2k1b h GLU 39 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2k1b h GLU 39 CO -0.00 0.85 0.00 0.72 0.07 0.00 0.00 179.01 180.64 2k1b n HIS 40 N -4.03 0.11 -1.87 2.06 8.25 -0.57 -4.93 115.22 114.24 2k1b n HIS 40 Ca -0.02 -0.05 -0.42 0.00 -0.26 0.00 0.00 57.72 56.97 2k1b n HIS 40 Cb 0.51 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.59 2k1b n HIS 40 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2k1b s ILE 41 N -1.89 2.83 0.12 1.59 1.01 -1.24 -4.90 121.20 118.71 2k1b s ILE 41 Ca 0.35 0.36 -0.11 0.00 0.00 0.00 0.00 60.65 61.25 2k1b s ILE 41 Cb 0.20 -3.23 -0.14 0.00 0.01 0.00 0.00 42.46 39.30 2k1b s ILE 41 CO 0.31 0.00 1.34 -0.07 0.00 0.00 0.00 174.94 176.52 2k1b h LEU 42 N 8.30 0.90 -7.44 2.97 -0.00 -1.94 -3.46 115.31 114.64 2k1b h LEU 42 Ca -0.43 -0.57 -0.16 0.00 -0.00 0.00 0.00 57.88 56.71 2k1b h LEU 42 Cb 1.21 -0.26 -0.26 0.00 -0.00 0.00 0.00 40.66 41.34 2k1b h LEU 42 CO 0.93 1.37 -0.42 -0.62 -0.00 0.00 0.00 178.44 179.70 2k1b s ASP 43 N -7.07 -0.28 0.36 -0.43 -1.08 -1.26 -5.06 116.67 101.84 2k1b s ASP 43 Ca -0.10 0.54 0.16 0.00 -0.52 0.00 0.00 52.55 52.64 2k1b s ASP 43 Cb 0.09 0.53 1.08 0.00 -1.46 0.00 0.00 42.92 43.16 2k1b s ASP 43 CO 0.90 -0.11 1.70 1.55 0.52 0.00 0.00 175.17 179.73 2k1b h PRO 44 N 6.00 0.36 0.00 4.34 0.13 -2.03 -2.40 132.00 138.41 2k1b h PRO 44 Ca -0.29 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2k1b h PRO 44 Cb 1.19 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 2k1b h PRO 44 CO 0.34 0.24 -0.01 0.07 -0.23 0.00 0.00 178.00 178.42 2k1b h ARG 45 N 0.37 0.00 0.06 0.86 0.11 -1.99 -2.92 114.38 110.87 2k1b h ARG 45 Ca 0.69 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.77 2k1b h ARG 45 Cb 1.64 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.72 2k1b h ARG 45 CO -0.48 0.01 -0.03 -0.07 0.10 0.00 0.00 179.97 179.50 2k1b h LEU 46 N 0.00 -0.06 -1.03 0.08 3.38 -1.83 -2.11 115.31 113.74 2k1b h LEU 46 Ca -0.00 -0.58 -0.07 0.00 0.09 0.00 0.00 57.88 57.32 2k1b h LEU 46 Cb 0.19 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2k1b h LEU 46 CO 0.00 0.63 -0.03 1.62 0.09 0.00 0.00 178.44 180.74 2k1b h VAL 47 N -0.83 1.23 0.01 1.22 3.04 -1.65 -2.26 116.25 117.00 2k1b h VAL 47 Ca -0.01 -0.96 -0.22 0.00 -1.01 0.00 0.00 66.70 64.51 2k1b h VAL 47 Cb 0.64 0.96 -0.00 0.00 -2.01 0.00 0.00 31.29 30.88 2k1b h VAL 47 CO 0.01 0.33 -0.93 0.00 -1.01 0.00 0.00 177.57 175.97 2k1b h MET 48 N 0.62 0.32 -0.07 4.17 -0.00 -1.64 -3.21 114.93 115.11 2k1b h MET 48 Ca 0.12 -0.36 -0.04 0.00 -0.00 0.00 0.00 59.70 59.43 2k1b h MET 48 Cb 0.44 0.10 -0.01 0.00 -0.00 0.00 0.00 31.60 32.13 2k1b h MET 48 CO 0.02 1.05 -0.12 0.00 -0.00 0.00 0.00 176.91 177.86 2k1b h ALA 49 N 0.82 1.66 -0.16 -3.00 0.00 -1.00 -0.31 119.26 117.27 2k1b h ALA 49 Ca -0.07 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.74 2k1b h ALA 49 Cb 1.57 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.24 2k1b h ALA 49 CO 0.15 0.25 -0.28 -0.92 0.00 0.00 0.00 179.25 178.46 2k1b h TYR 50 N 0.11 -0.76 0.00 0.00 3.20 -1.42 -0.92 116.97 117.17 2k1b h TYR 50 Ca 0.02 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2k1b h TYR 50 Cb 0.29 0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.92 2k1b h TYR 50 CO 0.00 -0.36 -0.70 1.05 -1.64 0.00 0.00 178.16 176.51 2k1b h GLU 51 N -0.33 0.00 0.05 1.82 4.11 -1.63 -3.37 114.58 115.23 2k1b h GLU 51 Ca 0.11 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.42 2k1b h GLU 51 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2k1b h GLU 51 CO -0.35 0.00 -0.59 1.49 0.07 0.00 0.00 179.01 179.63 2k1b h GLU 52 N 0.00 0.12 -5.98 1.06 4.57 -0.93 -3.43 114.58 109.98 2k1b h GLU 52 Ca 0.00 -0.20 -0.49 0.00 -1.18 0.00 0.00 59.36 57.50 2k1b h GLU 52 Cb 0.82 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.45 2k1b h GLU 52 CO 0.00 1.10 1.28 0.15 -1.18 0.00 0.00 179.01 180.36 2k1b s LYS 53 N -2.33 2.67 0.00 1.92 -0.14 -0.36 -4.81 119.74 116.68 2k1b s LYS 53 Ca -0.19 0.45 0.27 0.00 -1.36 0.00 0.00 55.97 55.14 2k1b s LYS 53 Cb 0.00 -4.44 1.20 0.00 -1.68 0.00 0.00 37.83 32.91 2k1b s LYS 53 CO 0.73 -2.75 1.82 -0.85 -0.76 0.00 0.00 175.35 173.54 2k1b n GLU 54 N 9.17 1.46 0.00 1.68 0.00 -1.26 -4.96 120.64 126.74 2k1b n GLU 54 Ca 0.21 -0.68 0.04 0.00 0.00 0.00 0.00 57.16 56.73 2k1b n GLU 54 Cb 0.51 -1.45 0.25 0.00 0.00 0.00 0.00 31.44 30.75 2k1b n GLU 54 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28