#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 -1.52 -3.66 5.31 7.27 -1.26 -4.96 117.38 118.57 2k1b n GLN 2 Ca 0.00 1.14 -0.08 0.00 0.07 0.00 0.00 57.00 58.13 2k1b n GLN 2 Cb 0.00 -5.62 -0.09 0.00 2.41 0.00 0.00 30.24 26.94 2k1b n GLN 2 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2k1b s VAL 3 N -2.87 -0.62 -0.69 1.69 0.11 -1.26 -5.11 120.40 111.65 2k1b s VAL 3 Ca 0.00 0.14 -0.08 0.00 -2.93 0.00 0.00 61.98 59.11 2k1b s VAL 3 Cb 0.00 -0.70 0.18 0.00 -1.53 0.00 0.00 36.38 34.33 2k1b s VAL 3 CO 0.00 0.06 0.57 -0.36 -3.33 0.00 0.00 175.10 172.04 2k1b s PHE 4 N 2.52 3.55 0.83 1.54 0.08 -1.26 -5.08 117.98 120.16 2k1b s PHE 4 Ca -0.03 -2.35 -0.12 0.00 0.12 0.00 0.00 56.93 54.56 2k1b s PHE 4 Cb -0.12 -3.48 0.09 0.00 -0.57 0.00 0.00 43.02 38.95 2k1b s PHE 4 CO -0.13 -0.91 1.12 0.00 -0.10 0.00 0.00 175.22 175.19 2k1b s ALA 5 N 0.15 2.18 0.47 5.36 0.00 -1.26 -4.98 121.76 123.68 2k1b s ALA 5 Ca 0.16 -0.40 -0.20 0.00 0.00 0.00 0.00 51.96 51.53 2k1b s ALA 5 Cb -0.17 -3.05 -0.09 0.00 0.00 0.00 0.00 23.12 19.81 2k1b s ALA 5 CO -0.05 -1.88 1.00 0.54 0.00 0.00 0.00 175.76 175.36 2k1b s VAL 6 N -3.28 4.12 0.04 0.00 0.11 -1.26 -4.91 120.40 115.22 2k1b s VAL 6 Ca 0.62 1.27 -0.30 0.00 -2.93 0.00 0.00 61.98 60.64 2k1b s VAL 6 Cb -0.14 -3.54 -0.18 0.00 -1.53 0.00 0.00 36.38 31.00 2k1b s VAL 6 CO 0.53 -0.33 1.41 -0.08 -3.33 0.00 0.00 175.10 173.30 2k1b h GLU 7 N 1.59 -0.81 -1.89 1.54 4.81 -1.73 -3.48 114.58 114.63 2k1b h GLU 7 Ca -0.49 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2k1b h GLU 7 Cb 1.20 0.18 -0.22 0.00 0.63 0.00 0.00 28.75 30.54 2k1b h GLU 7 CO 0.60 -0.49 0.20 -1.12 -0.73 0.00 0.00 179.01 177.46 2k1b s SER 8 N -4.54 -0.71 -0.60 1.04 0.01 -1.25 -5.02 113.70 102.63 2k1b s SER 8 Ca -0.16 1.30 -0.25 0.00 1.31 0.00 0.00 55.95 58.15 2k1b s SER 8 Cb 0.03 1.31 0.05 0.00 0.21 0.00 0.00 66.02 67.62 2k1b s SER 8 CO 0.55 -0.22 1.02 -0.63 0.41 0.00 0.00 173.24 174.37 2k1b s ILE 9 N 0.61 4.25 0.09 1.44 1.01 -1.26 -0.85 121.20 126.49 2k1b s ILE 9 Ca -0.01 0.20 -0.20 0.00 0.00 0.00 0.00 60.65 60.63 2k1b s ILE 9 Cb -0.05 -4.64 -0.09 0.00 0.01 0.00 0.00 42.46 37.68 2k1b s ILE 9 CO -0.05 -1.32 1.64 -0.09 0.00 0.00 0.00 174.94 175.13 2k1b h ARG 10 N 9.49 0.26 -2.84 2.79 1.12 -1.39 -3.46 114.38 120.35 2k1b h ARG 10 Ca -0.27 -0.04 0.05 0.00 -1.11 0.00 0.00 59.98 58.60 2k1b h ARG 10 Cb 1.07 -0.04 -0.10 0.00 -0.01 0.00 0.00 29.97 30.89 2k1b h ARG 10 CO 1.15 0.32 0.28 -1.59 -3.11 0.00 0.00 179.97 177.02 2k1b s LYS 11 N -5.61 1.37 0.05 0.20 -2.85 -1.24 -5.03 119.74 106.63 2k1b s LYS 11 Ca -0.14 -0.63 0.01 0.00 -1.00 0.00 0.00 55.97 54.21 2k1b s LYS 11 Cb 0.07 0.55 -0.03 0.00 -2.06 0.00 0.00 37.83 36.36 2k1b s LYS 11 CO 0.70 -0.61 -0.05 -1.59 0.10 0.00 0.00 175.35 173.90 2k1b s LYS 12 N -3.67 0.52 -0.13 1.78 0.00 -1.26 -0.36 119.74 116.63 2k1b s LYS 12 Ca 0.06 -0.89 -0.09 0.00 0.00 0.00 0.00 55.97 55.04 2k1b s LYS 12 Cb -0.03 -0.06 0.04 0.00 0.00 0.00 0.00 37.83 37.79 2k1b s LYS 12 CO -0.05 -0.02 0.32 0.50 0.00 0.00 0.00 175.35 176.10 2k1b s ARG 13 N -2.34 0.34 -0.32 1.78 6.06 -0.67 -4.99 118.95 118.81 2k1b s ARG 13 Ca -0.05 0.53 -0.24 0.00 -2.50 0.00 0.00 55.73 53.47 2k1b s ARG 13 Cb -0.04 0.08 0.00 0.00 0.06 0.00 0.00 34.95 35.05 2k1b s ARG 13 CO -0.03 -0.09 0.82 0.54 -2.50 0.00 0.00 175.30 174.04 2k1b s VAL 14 N 0.64 4.75 -0.08 7.11 0.11 -1.26 -1.47 120.40 130.20 2k1b s VAL 14 Ca -0.04 1.19 0.03 0.00 -2.93 0.00 0.00 61.98 60.23 2k1b s VAL 14 Cb -0.05 -4.19 0.01 0.00 -1.53 0.00 0.00 36.38 30.62 2k1b s VAL 14 CO -0.04 -0.31 -0.16 -0.60 -3.33 0.00 0.00 175.10 170.66 2k1b s ARG 15 N 3.05 2.18 -1.19 1.54 3.00 -0.41 -4.73 118.95 122.39 2k1b s ARG 15 Ca 0.34 -0.57 0.00 0.00 -1.00 0.00 0.00 55.73 54.49 2k1b s ARG 15 Cb -0.14 -1.75 0.00 0.00 0.00 0.00 0.00 34.95 33.07 2k1b s ARG 15 CO 0.14 0.06 0.00 0.36 0.00 0.00 0.00 175.30 175.85 2k1b n LYS 16 N 3.79 -1.99 -0.37 5.12 2.85 -1.26 -1.35 118.16 124.95 2k1b n LYS 16 Ca -0.21 0.67 0.00 0.00 -1.05 0.00 0.00 58.31 57.72 2k1b n LYS 16 Cb 0.52 -5.21 0.00 0.00 -0.65 0.00 0.00 35.03 29.69 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 -0.72 0.79 3.03 2.58 0.00 -1.26 -5.07 105.19 104.53 2k1b n GLY 17 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.63 2.14 -0.30 1.61 2.47 -0.45 -5.09 119.74 119.49 2k1b s LYS 18 Ca 0.00 -1.05 -0.29 0.00 -1.56 0.00 0.00 55.97 53.08 2k1b s LYS 18 Cb 0.00 -2.63 -0.01 0.00 -1.46 0.00 0.00 37.83 33.72 2k1b s LYS 18 CO 0.00 -0.48 1.61 0.08 0.16 0.00 0.00 175.35 176.71 2k1b s VAL 19 N 1.28 3.70 -0.08 4.02 1.01 -1.26 -1.28 120.40 127.79 2k1b s VAL 19 Ca -0.04 0.76 -0.01 0.00 0.00 0.00 0.00 61.98 62.69 2k1b s VAL 19 Cb -0.18 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 2k1b s VAL 19 CO -0.07 -0.44 -0.03 -1.61 0.00 0.00 0.00 175.10 172.95 2k1b s GLU 20 N 4.98 2.88 -0.30 2.72 2.02 -0.54 -3.07 118.70 127.39 2k1b s GLU 20 Ca 0.71 -0.48 -0.04 0.00 0.02 0.00 0.00 54.97 55.19 2k1b s GLU 20 Cb -0.21 -2.70 0.04 0.00 0.10 0.00 0.00 34.13 31.36 2k1b s GLU 20 CO 0.31 0.68 0.03 0.71 0.02 0.00 0.00 175.26 177.00 2k1b s TYR 21 N -0.82 3.22 -0.44 1.61 1.51 -0.05 -1.66 117.35 120.70 2k1b s TYR 21 Ca 0.12 -1.59 -0.27 0.00 -1.01 0.00 0.00 57.07 54.32 2k1b s TYR 21 Cb -0.11 -2.16 -0.03 0.00 -0.11 0.00 0.00 41.96 39.55 2k1b s TYR 21 CO 0.02 -0.75 1.95 -1.17 -1.11 0.00 0.00 175.55 174.49 2k1b s LEU 22 N 1.33 3.41 -0.17 -1.29 2.96 0.52 -0.90 118.68 124.55 2k1b s LEU 22 Ca -0.03 0.98 -0.07 0.00 -0.22 0.00 0.00 54.13 54.80 2k1b s LEU 22 Cb -0.19 -3.02 -0.04 0.00 0.50 0.00 0.00 46.19 43.44 2k1b s LEU 22 CO -0.00 -2.14 0.08 0.68 -1.32 0.00 0.00 176.35 173.65 2k1b s VAL 23 N 8.59 5.00 -0.30 1.68 -7.23 -0.31 -1.05 120.40 126.77 2k1b s VAL 23 Ca 0.80 0.04 -0.25 0.00 -1.81 0.00 0.00 61.98 60.76 2k1b s VAL 23 Cb -0.19 -3.23 0.00 0.00 0.56 0.00 0.00 36.38 33.52 2k1b s VAL 23 CO 0.28 0.49 0.84 -0.54 -0.31 0.00 0.00 175.10 175.87 2k1b s LYS 24 N 0.03 4.01 0.29 4.82 -0.14 -0.03 -3.15 119.74 125.57 2k1b s LYS 24 Ca 0.07 0.72 -0.28 0.00 -1.36 0.00 0.00 55.97 55.12 2k1b s LYS 24 Cb -0.12 -3.72 -0.09 0.00 -1.68 0.00 0.00 37.83 32.22 2k1b s LYS 24 CO 0.00 -0.69 0.99 -1.58 -0.76 0.00 0.00 175.35 173.31 2k1b s TRP 25 N 3.05 3.73 0.58 3.18 0.52 -1.26 -1.93 118.94 126.81 2k1b s TRP 25 Ca 0.35 1.80 0.27 0.00 0.02 0.00 0.00 56.10 58.54 2k1b s TRP 25 Cb -0.14 -3.04 1.64 0.00 -1.15 0.00 0.00 33.47 30.78 2k1b s TRP 25 CO 0.12 0.05 2.15 0.87 0.02 0.00 0.00 176.95 180.15 2k1b h LYS 26 N 3.58 0.00 0.00 4.98 1.57 -1.96 -2.92 116.57 121.82 2k1b h LYS 26 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 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 0.66 0.00 -0.82 0.41 -0.57 0.00 0.00 179.45 179.13 2k1b n GLY 27 N -1.41 0.00 3.70 3.86 0.00 -1.26 -5.06 105.19 105.03 2k1b n GLY 27 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.77 3.20 1.05 1.61 0.52 -1.10 -5.02 118.94 117.44 2k1b s TRP 28 Ca 0.00 1.07 -0.12 0.00 0.02 0.00 0.00 56.10 57.07 2k1b s TRP 28 Cb 0.00 -3.56 0.22 0.00 -1.15 0.00 0.00 33.47 28.98 2k1b s TRP 28 CO 0.00 -1.90 1.07 -1.25 0.02 0.00 0.00 176.95 174.89 2k1b s PRO 29 N 1.55 -0.02 0.58 4.98 0.04 -1.26 -4.23 135.00 136.63 2k1b s PRO 29 Ca 0.61 0.93 0.33 0.00 0.04 0.00 0.00 61.00 62.91 2k1b s PRO 29 Cb -0.32 -1.65 1.39 0.00 0.04 0.00 0.00 34.50 33.96 2k1b s PRO 29 CO 0.28 -3.15 1.69 -1.35 0.04 0.00 0.00 177.00 174.52 2k1b h PRO 30 N -2.21 0.00 -0.39 0.56 0.11 -1.95 -0.58 132.00 127.54 2k1b h PRO 30 Ca -0.55 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.45 2k1b h PRO 30 Cb 1.31 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 2k1b h PRO 30 CO 0.50 0.00 -0.21 1.57 -0.21 0.00 0.00 178.00 179.65 2k1b h LYS 31 N 0.00 0.77 -0.01 1.05 2.10 -2.01 -3.00 116.57 115.47 2k1b h LYS 31 Ca 0.46 -0.31 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 2k1b h LYS 31 Cb 2.19 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 33.49 2k1b h LYS 31 CO -0.00 0.92 -0.13 0.66 -2.00 0.00 0.00 179.45 178.90 2k1b n TYR 32 N -4.12 0.00 -1.98 0.07 4.01 -0.26 -4.87 117.16 110.02 2k1b n TYR 32 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.32 2k1b n TYR 32 Cb 0.43 -0.05 -0.03 0.00 -0.31 0.00 0.00 39.34 39.38 2k1b n TYR 32 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2k1b s SER 33 N -2.23 6.29 0.29 7.72 0.01 -1.01 -4.89 113.70 119.89 2k1b s SER 33 Ca 0.31 1.86 -0.01 0.00 1.31 0.00 0.00 55.95 59.41 2k1b s SER 33 Cb 0.20 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 2k1b s SER 33 CO 0.42 -1.29 0.50 0.42 0.41 0.00 0.00 173.24 173.70 2k1b s THR 34 N 5.41 5.12 -0.60 1.44 -4.23 -1.19 -4.78 115.64 116.81 2k1b s THR 34 Ca 0.78 -0.32 -0.20 0.00 -1.18 0.00 0.00 61.69 60.77 2k1b s THR 34 Cb -0.29 -3.79 0.10 0.00 1.34 0.00 0.00 72.50 69.85 2k1b s THR 34 CO 0.32 -0.39 0.76 0.26 -0.54 0.00 0.00 174.62 175.03 2k1b s TRP 35 N -2.13 2.93 -0.29 3.99 0.52 -1.26 -1.16 118.94 121.54 2k1b s TRP 35 Ca 0.40 -0.86 -0.16 0.00 0.02 0.00 0.00 56.10 55.50 2k1b s TRP 35 Cb -0.10 -4.06 -0.03 0.00 -1.15 0.00 0.00 33.47 28.12 2k1b s TRP 35 CO 0.32 -1.37 0.41 -1.21 0.02 0.00 0.00 176.95 175.13 2k1b s GLU 36 N 2.98 3.92 1.19 4.98 0.41 -0.08 -4.69 118.70 127.41 2k1b s GLU 36 Ca 0.14 0.00 -0.20 0.00 -0.41 0.00 0.00 54.97 54.50 2k1b s GLU 36 Cb -0.23 -3.69 0.30 0.00 -1.78 0.00 0.00 34.13 28.73 2k1b s GLU 36 CO 0.07 -0.36 0.87 -0.35 -0.49 0.00 0.00 175.26 175.00 2k1b n PRO 37 N 5.42 -3.67 0.15 0.39 -0.04 -1.26 -0.87 135.00 135.11 2k1b n PRO 37 Ca -0.07 -1.43 0.11 0.00 -0.04 0.00 0.00 63.50 62.08 2k1b n PRO 37 Cb 0.50 -1.55 0.54 0.00 -0.04 0.00 0.00 33.50 32.95 2k1b n PRO 37 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k1b n GLU 38 N -4.88 0.17 0.10 0.54 1.02 -1.17 -1.45 120.64 114.97 2k1b n GLU 38 Ca 0.13 0.53 0.10 0.00 -0.02 0.00 0.00 57.16 57.90 2k1b n GLU 38 Cb 0.52 -1.91 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 2k1b n GLU 38 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2k1b h GLU 39 N 0.00 0.00 -0.57 3.49 4.11 -1.91 -3.35 114.58 116.35 2k1b h GLU 39 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2k1b h GLU 39 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2k1b h GLU 39 CO 0.00 0.04 0.00 0.72 0.07 0.00 0.00 179.01 179.84 2k1b n HIS 40 N -2.74 0.87 -2.47 2.06 8.25 -0.53 -4.94 115.22 115.72 2k1b n HIS 40 Ca -0.01 -0.39 -0.42 0.00 -0.26 0.00 0.00 57.72 56.64 2k1b n HIS 40 Cb 0.58 -0.07 -0.03 0.00 1.12 0.00 0.00 29.99 31.60 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 -1.43 4.07 0.15 1.59 1.01 -1.24 -4.92 121.20 120.42 2k1b s ILE 41 Ca 0.37 1.55 0.06 0.00 0.00 0.00 0.00 60.65 62.63 2k1b s ILE 41 Cb 0.21 -3.99 -0.18 0.00 0.01 0.00 0.00 42.46 38.51 2k1b s ILE 41 CO 0.23 0.16 1.34 -0.07 0.00 0.00 0.00 174.94 176.59 2k1b h LEU 42 N 6.36 0.08 -7.01 2.97 -0.00 -1.93 -3.48 115.31 112.31 2k1b h LEU 42 Ca -0.42 -0.08 -0.05 0.00 -0.00 0.00 0.00 57.88 57.33 2k1b h LEU 42 Cb 1.21 -0.03 -0.20 0.00 -0.00 0.00 0.00 40.66 41.64 2k1b h LEU 42 CO 0.78 0.98 0.14 -0.62 -0.00 0.00 0.00 178.44 179.71 2k1b s ASP 43 N -6.81 -0.71 0.26 -0.43 -1.08 -1.26 -5.05 116.67 101.60 2k1b s ASP 43 Ca -0.00 1.18 -0.03 0.00 -0.52 0.00 0.00 52.55 53.17 2k1b s ASP 43 Cb 0.10 1.14 0.54 0.00 -1.46 0.00 0.00 42.92 43.23 2k1b s ASP 43 CO 0.82 -0.37 1.65 1.55 0.52 0.00 0.00 175.17 179.34 2k1b h PRO 44 N 4.34 0.17 0.00 4.34 0.13 -2.02 -2.32 132.00 136.64 2k1b h PRO 44 Ca -0.28 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2k1b h PRO 44 Cb 1.15 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2k1b h PRO 44 CO 0.17 0.11 0.00 0.07 -0.23 0.00 0.00 178.00 178.12 2k1b h ARG 45 N 0.17 0.00 -0.00 0.86 0.11 -1.98 -2.43 114.38 111.10 2k1b h ARG 45 Ca 0.46 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.51 2k1b h ARG 45 Cb 0.86 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.94 2k1b h ARG 45 CO -0.63 0.00 -0.12 -0.07 0.10 0.00 0.00 179.97 179.25 2k1b h LEU 46 N 0.00 0.11 -0.27 0.08 3.38 -1.85 -3.05 115.31 113.72 2k1b h LEU 46 Ca 0.00 -0.76 -0.16 0.00 0.09 0.00 0.00 57.88 57.04 2k1b h LEU 46 Cb 0.45 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2k1b h LEU 46 CO 0.00 0.86 -0.47 1.62 0.09 0.00 0.00 178.44 180.54 2k1b h VAL 47 N -0.62 1.29 0.00 1.22 3.04 -1.54 -2.98 116.25 116.66 2k1b h VAL 47 Ca -0.01 -1.66 0.00 0.00 -1.01 0.00 0.00 66.70 64.01 2k1b h VAL 47 Cb 0.87 1.68 0.00 0.00 -2.01 0.00 0.00 31.29 31.83 2k1b h VAL 47 CO 0.02 0.54 0.00 0.00 -1.01 0.00 0.00 177.57 177.12 2k1b h MET 48 N 0.55 0.00 0.00 4.17 -0.00 -1.61 -2.66 114.93 115.38 2k1b h MET 48 Ca 0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.68 2k1b h MET 48 Cb 1.07 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.67 2k1b h MET 48 CO 0.11 0.00 -0.19 0.00 -0.00 0.00 0.00 176.91 176.83 2k1b h ALA 49 N 2.08 1.20 -0.04 -3.00 0.00 -1.40 -3.08 119.26 115.02 2k1b h ALA 49 Ca 0.00 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.78 2k1b h ALA 49 Cb 0.47 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 2k1b h ALA 49 CO 0.00 0.23 -0.35 -0.92 0.00 0.00 0.00 179.25 178.21 2k1b h TYR 50 N 0.00 -0.98 -0.00 0.00 3.20 -1.57 0.14 116.97 117.75 2k1b h TYR 50 Ca -0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2k1b h TYR 50 Cb 0.51 0.44 0.00 0.00 1.54 0.00 0.00 36.73 39.22 2k1b h TYR 50 CO 0.00 -0.44 -0.31 0.39 -1.64 0.00 0.00 178.16 176.16 2k1b n GLU 51 N -5.42 0.39 0.05 1.82 1.02 -1.25 -3.88 120.64 113.38 2k1b n GLU 51 Ca -0.05 -0.21 0.03 0.00 -0.02 0.00 0.00 57.16 56.92 2k1b n GLU 51 Cb 0.34 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.21 2k1b n GLU 51 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2k1b n GLU 52 N -1.12 0.62 -3.71 3.49 4.07 -0.84 -4.92 120.64 118.22 2k1b n GLU 52 Ca 0.09 0.20 -0.23 0.00 -0.06 0.00 0.00 57.16 57.17 2k1b n GLU 52 Cb 0.33 -1.82 -0.02 0.00 -0.06 0.00 0.00 31.44 29.88 2k1b n GLU 52 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2k1b s LYS 53 N -3.04 3.46 0.04 5.31 -0.14 0.43 -5.03 119.74 120.76 2k1b s LYS 53 Ca -0.02 -0.56 -0.11 0.00 -1.36 0.00 0.00 55.97 53.92 2k1b s LYS 53 Cb 0.09 -2.80 -0.33 0.00 -1.68 0.00 0.00 37.83 33.12 2k1b s LYS 53 CO 0.80 0.32 1.01 0.93 -0.76 0.00 0.00 175.35 177.65 2k1b h GLU 54 N 1.08 0.43 0.00 1.68 4.39 -1.88 -3.48 114.58 116.80 2k1b h GLU 54 Ca -0.51 -0.73 0.00 0.00 0.34 0.00 0.00 59.36 58.46 2k1b h GLU 54 Cb 1.22 0.27 0.00 0.00 -0.10 0.00 0.00 28.75 30.14 2k1b h GLU 54 CO 0.62 1.34 0.00 0.39 -1.16 0.00 0.00 179.01 180.20