#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k1f s ASP 3 N 0.00 7.42 -0.21 4.52 1.01 -1.26 -5.08 116.67 123.08 1k1f s ASP 3 Ca 0.00 1.78 -0.04 0.00 0.71 0.00 0.00 52.55 55.00 1k1f s ASP 3 Cb 0.00 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.36 1k1f s ASP 3 CO 0.00 0.08 -0.03 -2.16 0.21 0.00 0.00 175.17 173.27 1k1f s PRO 4 N -1.54 3.44 0.00 8.23 0.05 -1.26 -4.89 135.00 139.03 1k1f s PRO 4 Ca 0.43 -0.60 0.00 0.00 0.05 0.00 0.00 61.00 60.88 1k1f s PRO 4 Cb -0.22 -3.01 0.00 0.00 0.05 0.00 0.00 34.50 31.32 1k1f s PRO 4 CO 0.27 -0.13 0.00 0.28 0.05 0.00 0.00 177.00 177.47 1k1f n VAL 5 N 4.61 0.00 -0.05 -0.36 0.31 -1.26 -4.44 118.33 117.14 1k1f n VAL 5 Ca -0.18 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.04 1k1f n VAL 5 Cb 0.51 -0.43 0.02 0.00 -0.91 0.00 0.00 33.84 33.03 1k1f n VAL 5 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1k1f h GLY 6 N 0.00 0.81 0.59 2.92 0.00 -1.98 0.14 103.07 105.55 1k1f h GLY 6 Ca 0.00 -0.89 -0.00 0.00 0.00 0.00 0.00 47.33 46.43 1k1f h GLY 6 CO 0.00 0.80 -0.03 -2.75 0.00 0.00 0.00 176.54 174.57 1k1f h PHE 7 N 0.59 -0.07 0.03 5.60 3.57 -1.95 0.22 116.94 124.93 1k1f h PHE 7 Ca 0.03 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1k1f h PHE 7 Cb 1.05 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.78 1k1f h PHE 7 CO 0.06 0.34 -0.36 0.00 -2.23 0.00 0.00 178.31 176.11 1k1f h ALA 8 N 0.43 -0.82 -0.98 2.41 0.00 -1.76 0.46 119.26 118.99 1k1f h ALA 8 Ca -0.01 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 54.95 1k1f h ALA 8 Cb 0.43 0.79 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 1k1f h ALA 8 CO 0.01 -0.92 0.62 0.93 0.00 0.00 0.00 179.25 179.89 1k1f h GLU 9 N -0.47 0.95 -0.57 0.00 5.08 -0.76 -0.02 114.58 118.79 1k1f h GLU 9 Ca 0.00 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1k1f h GLU 9 Cb 0.50 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1k1f h GLU 9 CO -0.22 0.63 0.12 0.00 -1.00 0.00 0.00 179.01 178.54 1k1f h ALA 10 N 1.54 1.15 0.05 3.43 0.00 0.25 0.21 119.26 125.89 1k1f h ALA 10 Ca 0.48 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1k1f h ALA 10 Cb 0.47 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1k1f h ALA 10 CO -0.24 0.57 -0.03 2.35 0.00 0.00 0.00 179.25 181.91 1k1f h TRP 11 N 0.84 -0.07 0.00 0.00 2.91 0.18 -2.00 115.95 117.82 1k1f h TRP 11 Ca 0.18 -0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.18 1k1f h TRP 11 Cb 0.33 0.02 -0.00 0.00 -0.51 0.00 0.00 29.16 29.00 1k1f h TRP 11 CO 0.02 -0.04 -0.10 0.87 -1.03 0.00 0.00 178.44 178.17 1k1f h LYS 12 N -0.08 0.00 -0.00 2.65 1.57 -1.00 -0.53 116.57 119.18 1k1f h LYS 12 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1k1f h LYS 12 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1k1f h LYS 12 CO 0.01 0.10 0.00 0.00 -0.57 0.00 0.00 179.45 178.99 1k1f n ALA 13 N -2.15 2.67 0.00 3.86 0.00 0.71 -3.51 120.51 122.09 1k1f n ALA 13 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1k1f n ALA 13 Cb 0.35 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1k1f n ALA 13 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1k1f n GLN 14 N -0.87 0.00 -3.69 0.00 6.02 -1.00 -4.95 117.38 112.89 1k1f n GLN 14 Ca 0.23 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.94 1k1f n GLN 14 Cb 0.13 -0.39 -0.10 0.00 1.02 0.00 0.00 30.24 30.90 1k1f n GLN 14 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1k1f n PHE 15 N -2.78 3.27 0.43 1.08 3.01 -0.24 -4.94 117.46 117.29 1k1f n PHE 15 Ca 0.00 -4.22 0.00 0.00 1.01 0.00 0.00 57.45 54.24 1k1f n PHE 15 Cb 0.34 -0.58 0.00 0.00 -0.01 0.00 0.00 39.48 39.24 1k1f n PHE 15 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1k1f n PRO 16 N 1.53 0.56 -2.76 -1.08 -0.02 -1.23 -3.50 135.00 128.50 1k1f n PRO 16 Ca 0.24 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.70 1k1f n PRO 16 Cb 0.38 -1.22 0.07 0.00 -0.02 0.00 0.00 33.50 32.71 1k1f n PRO 16 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1k1f n ASP 17 N 0.87 0.54 -3.83 2.55 8.00 -1.26 -5.12 116.55 118.30 1k1f n ASP 17 Ca 0.00 -2.19 -0.08 0.00 0.71 0.00 0.00 54.79 53.23 1k1f n ASP 17 Cb 0.28 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.27 1k1f n ASP 17 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1k1f s SER 18 N -2.86 -0.26 0.41 -2.24 1.04 -1.23 -5.17 113.70 103.40 1k1f s SER 18 Ca 0.22 -0.60 -0.22 0.00 0.48 0.00 0.00 55.95 55.83 1k1f s SER 18 Cb 0.38 0.67 -0.11 0.00 0.10 0.00 0.00 66.02 67.06 1k1f s SER 18 CO -0.06 -1.24 0.96 -1.61 0.98 0.00 0.00 173.24 172.27 1k1f s GLU 19 N -3.92 4.28 0.05 4.02 8.01 -1.26 -5.00 118.70 124.88 1k1f s GLU 19 Ca 0.12 1.18 -0.31 0.00 0.01 0.00 0.00 54.97 55.98 1k1f s GLU 19 Cb -0.04 -2.31 -0.06 0.00 -4.31 0.00 0.00 34.13 27.40 1k1f s GLU 19 CO 0.04 0.01 1.34 -2.14 0.01 0.00 0.00 175.26 174.53 1k1f s PRO 20 N -2.93 4.33 0.18 0.39 0.02 -1.26 -4.91 135.00 130.83 1k1f s PRO 20 Ca 0.60 1.94 -0.31 0.00 0.02 0.00 0.00 61.00 63.24 1k1f s PRO 20 Cb -0.12 -3.42 -0.16 0.00 0.02 0.00 0.00 34.50 30.82 1k1f s PRO 20 CO 0.16 -0.45 0.91 -2.30 -0.33 0.00 0.00 177.00 174.99 1k1f n PRO 21 N 4.57 0.66 -4.80 5.54 -0.02 -1.26 -5.23 135.00 134.46 1k1f n PRO 21 Ca 0.11 0.23 -0.31 0.00 -2.02 0.00 0.00 63.50 61.52 1k1f n PRO 21 Cb 0.44 -1.54 -0.13 0.00 -0.02 0.00 0.00 33.50 32.25 1k1f n PRO 21 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1k1f s ARG 22 N -0.77 2.18 -0.42 -0.52 1.81 -1.26 -5.16 118.95 114.82 1k1f s ARG 22 Ca 0.70 -0.90 0.10 0.00 -1.72 0.00 0.00 55.73 53.90 1k1f s ARG 22 Cb -0.91 -2.22 0.41 0.00 -0.45 0.00 0.00 34.95 31.79 1k1f s ARG 22 CO 0.56 0.56 0.99 -1.91 -0.68 0.00 0.00 175.30 174.82 1k1f n GLU 24 N 1.85 2.42 -2.33 3.54 4.07 -1.26 -5.22 120.64 123.72 1k1f n GLU 24 Ca -0.16 -4.06 -0.43 0.00 -0.06 0.00 0.00 57.16 52.45 1k1f n GLU 24 Cb 0.52 -1.88 -0.02 0.00 -0.06 0.00 0.00 31.44 30.00 1k1f n GLU 24 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1k1f s LEU 25 N -3.27 3.77 0.21 4.31 1.43 -1.26 -4.48 118.68 119.39 1k1f s LEU 25 Ca 0.41 1.16 0.00 0.00 -1.03 0.00 0.00 54.13 54.67 1k1f s LEU 25 Cb 0.39 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 43.07 1k1f s LEU 25 CO -0.10 -1.25 0.00 -2.11 0.23 0.00 0.00 176.35 173.12 1k1f n ARG 26 N 7.66 0.00 -2.51 1.70 1.85 -1.26 -5.06 116.66 119.04 1k1f n ARG 26 Ca 0.16 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.75 1k1f n ARG 26 Cb 0.47 0.00 0.03 0.00 -1.05 0.00 0.00 32.46 31.90 1k1f n ARG 26 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1k1f s SER 27 N -3.89 5.66 0.19 2.89 0.15 -1.26 -4.98 113.70 112.46 1k1f s SER 27 Ca 0.00 0.65 -0.05 0.00 0.70 0.00 0.00 55.95 57.25 1k1f s SER 27 Cb 0.00 -1.70 0.11 0.00 -1.71 0.00 0.00 66.02 62.73 1k1f s SER 27 CO 0.00 -0.98 1.54 0.58 1.20 0.00 0.00 173.24 175.58 1k1f h VAL 28 N -0.06 1.29 -0.59 4.45 2.07 -1.99 -2.27 116.25 119.16 1k1f h VAL 28 Ca -0.46 -1.61 0.01 0.00 0.82 0.00 0.00 66.70 65.46 1k1f h VAL 28 Cb 1.25 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 32.53 1k1f h VAL 28 CO 0.60 0.52 0.39 1.23 0.02 0.00 0.00 177.57 180.32 1k1f h GLY 29 N 0.96 0.83 1.25 2.17 0.00 -1.99 -1.40 103.07 104.89 1k1f h GLY 29 Ca 0.04 -0.31 -0.28 0.00 0.00 0.00 0.00 47.33 46.78 1k1f h GLY 29 CO 0.09 0.30 -1.15 -0.55 0.00 0.00 0.00 176.54 175.23 1k1f h ASP 30 N 0.80 0.87 0.36 0.19 3.32 -1.79 -2.50 116.42 117.67 1k1f h ASP 30 Ca 0.22 -0.76 -0.01 0.00 0.02 0.00 0.00 57.03 56.50 1k1f h ASP 30 Cb -0.09 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.17 1k1f h ASP 30 CO -0.05 1.56 -0.28 0.40 -1.72 0.00 0.00 179.24 179.15 1k1f h ILE 31 N 0.32 0.40 -0.30 0.35 2.04 -1.05 -0.35 117.51 118.93 1k1f h ILE 31 Ca -0.16 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.77 1k1f h ILE 31 Cb 1.82 0.40 -0.08 0.00 -0.74 0.00 0.00 36.82 38.22 1k1f h ILE 31 CO 0.22 0.00 -0.32 -0.33 0.00 0.00 0.00 178.15 177.73 1k1f h GLU 32 N -0.65 -0.29 -0.51 2.37 5.08 -1.33 0.21 114.58 119.46 1k1f h GLU 32 Ca -0.03 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.45 1k1f h GLU 32 Cb 0.56 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.79 1k1f h GLU 32 CO -0.01 -0.19 0.01 0.37 -1.00 0.00 0.00 179.01 178.18 1k1f h GLN 33 N -0.30 0.12 -0.39 2.33 4.15 -1.23 0.64 115.11 120.43 1k1f h GLN 33 Ca 0.14 -0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.45 1k1f h GLN 33 Cb 0.53 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.18 1k1f h GLN 33 CO -0.46 0.08 -0.20 1.49 -1.93 0.00 0.00 178.83 177.81 1k1f h GLU 34 N 0.12 0.75 -0.11 1.69 4.57 -0.26 -1.75 114.58 119.58 1k1f h GLU 34 Ca 0.26 -0.29 -0.04 0.00 -1.18 0.00 0.00 59.36 58.11 1k1f h GLU 34 Cb 0.40 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 1k1f h GLU 34 CO -0.43 0.89 -0.13 1.25 -1.18 0.00 0.00 179.01 179.41 1k1f h LEU 35 N 0.66 0.16 -0.13 1.64 5.85 0.57 -1.63 115.31 122.43 1k1f h LEU 35 Ca 0.10 -0.03 -0.24 0.00 0.84 0.00 0.00 57.88 58.55 1k1f h LEU 35 Cb 0.69 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.69 1k1f h LEU 35 CO 0.05 0.32 -0.91 -0.08 -0.34 0.00 0.00 178.44 177.48 1k1f h GLU 36 N 0.16 0.63 0.00 1.25 4.57 -0.44 -2.54 114.58 118.21 1k1f h GLU 36 Ca 0.03 -0.61 0.00 0.00 -1.18 0.00 0.00 59.36 57.61 1k1f h GLU 36 Cb 0.34 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1k1f h GLU 36 CO 0.02 1.22 -0.12 2.89 -1.18 0.00 0.00 179.01 181.84 1k1f n ARG 37 N -3.85 0.09 0.13 1.92 1.85 -0.70 -2.01 116.66 114.09 1k1f n ARG 37 Ca -0.08 0.06 -0.23 0.00 -1.00 0.00 0.00 57.85 56.60 1k1f n ARG 37 Cb 0.81 -1.60 -0.15 0.00 -1.05 0.00 0.00 32.46 30.48 1k1f n ARG 37 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1k1f h ALA 38 N 2.83 -0.09 0.00 2.89 0.00 -1.25 -2.55 119.26 121.09 1k1f h ALA 38 Ca 0.00 -0.84 -0.10 0.00 0.00 0.00 0.00 54.91 53.98 1k1f h ALA 38 Cb 0.58 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1k1f h ALA 38 CO 0.00 0.73 -0.46 0.87 0.00 0.00 0.00 179.25 180.38 1k1f h LYS 39 N 0.18 0.00 -0.11 0.00 1.57 -1.37 -1.05 116.57 115.79 1k1f h LYS 39 Ca -0.22 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.37 1k1f h LYS 39 Cb 2.08 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.38 1k1f h LYS 39 CO 0.26 0.46 -0.69 0.00 -0.57 0.00 0.00 179.45 178.91 1k1f h ALA 40 N 1.54 0.59 -0.09 3.86 0.00 -1.42 -2.34 119.26 121.40 1k1f h ALA 40 Ca -0.00 -0.58 -0.08 0.00 0.00 0.00 0.00 54.91 54.24 1k1f h ALA 40 Cb 0.94 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1k1f h ALA 40 CO 0.06 0.73 -0.26 0.77 0.00 0.00 0.00 179.25 180.56 1k1f h SER 41 N 0.34 0.38 0.26 0.00 0.02 -1.25 -2.93 113.55 110.38 1k1f h SER 41 Ca -0.02 -0.60 0.01 0.00 -0.84 0.00 0.00 61.79 60.33 1k1f h SER 41 Cb 1.27 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.66 1k1f h SER 41 CO 0.12 0.91 -0.40 0.40 -1.14 0.00 0.00 176.83 176.72 1k1f h ILE 42 N -0.13 0.18 -0.16 3.27 2.04 -1.19 0.46 117.51 121.99 1k1f h ILE 42 Ca -0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 1k1f h ILE 42 Cb 0.87 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1k1f h ILE 42 CO 0.06 0.00 0.21 0.03 0.00 0.00 0.00 178.15 178.44 1k1f h ARG 43 N -0.73 0.00 0.07 2.37 3.08 -1.52 0.24 114.38 117.89 1k1f h ARG 43 Ca -0.01 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.85 1k1f h ARG 43 Cb 0.70 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.74 1k1f h ARG 43 CO -0.15 0.00 -0.96 -0.09 -1.07 0.00 0.00 179.97 177.70 1k1f h ARG 44 N 0.00 0.15 -0.02 0.04 2.43 -0.95 -3.17 114.38 112.86 1k1f h ARG 44 Ca 0.07 -0.26 -0.08 0.00 -0.81 0.00 0.00 59.98 58.91 1k1f h ARG 44 Cb 0.49 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1k1f h ARG 44 CO -0.00 1.12 -0.36 -0.07 -1.51 0.00 0.00 179.97 179.15 1k1f h LEU 45 N -0.61 0.05 -0.50 3.80 4.07 0.40 -2.17 115.31 120.34 1k1f h LEU 45 Ca -0.22 -0.02 -0.11 0.00 0.08 0.00 0.00 57.88 57.62 1k1f h LEU 45 Cb 1.48 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 43.19 1k1f h LEU 45 CO 0.01 0.41 -0.11 -0.08 -1.08 0.00 0.00 178.44 177.59 1k1f h GLU 46 N 0.04 0.96 -0.03 1.13 4.57 -0.66 -1.41 114.58 119.18 1k1f h GLU 46 Ca 0.00 -0.36 -0.14 0.00 -1.18 0.00 0.00 59.36 57.68 1k1f h GLU 46 Cb 0.66 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.18 1k1f h GLU 46 CO 0.05 1.03 -0.64 0.37 -1.18 0.00 0.00 179.01 178.64 1k1f h GLN 47 N 0.82 0.11 0.00 1.92 4.15 -1.48 -2.60 115.11 118.04 1k1f h GLN 47 Ca 0.13 -0.09 -0.10 0.00 0.77 0.00 0.00 58.65 59.37 1k1f h GLN 47 Cb 0.66 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 1k1f h GLN 47 CO 0.05 0.71 -0.45 0.93 -1.93 0.00 0.00 178.83 178.14 1k1f h GLU 48 N 0.08 0.00 -0.07 1.69 5.08 -1.17 -0.59 114.58 119.61 1k1f h GLU 48 Ca -0.01 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.15 1k1f h GLU 48 Cb 1.14 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 1k1f h GLU 48 CO 0.09 0.45 -0.79 0.28 -1.00 0.00 0.00 179.01 178.05 1k1f h VAL 49 N 0.00 1.37 -0.50 3.13 2.07 -1.01 -1.93 116.25 119.38 1k1f h VAL 49 Ca -0.00 -2.20 -0.12 0.00 0.82 0.00 0.00 66.70 65.20 1k1f h VAL 49 Cb 0.96 2.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.89 1k1f h VAL 49 CO 0.06 0.66 -0.15 0.78 0.02 0.00 0.00 177.57 178.94 1k1f h ASN 50 N 0.29 0.97 -0.64 0.57 -0.26 -1.24 0.06 115.58 115.33 1k1f h ASN 50 Ca -0.04 -0.33 -0.06 0.00 -0.56 0.00 0.00 56.30 55.30 1k1f h ASN 50 Cb 1.38 -0.26 -0.03 0.00 -1.06 0.00 0.00 38.32 38.35 1k1f h ASN 50 CO 0.14 1.11 0.19 1.56 -1.06 0.00 0.00 177.43 179.36 1k1f h GLN 51 N 0.85 1.03 -0.29 0.81 4.20 -1.03 -0.53 115.11 120.15 1k1f h GLN 51 Ca 0.13 -0.22 -0.08 0.00 0.06 0.00 0.00 58.65 58.53 1k1f h GLN 51 Cb 0.70 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1k1f h GLN 51 CO 0.05 0.90 -0.14 1.49 -0.67 0.00 0.00 178.83 180.46 1k1f h GLU 52 N 0.99 0.61 -0.83 1.46 4.57 -0.97 -1.08 114.58 119.33 1k1f h GLU 52 Ca 0.21 -0.27 0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1k1f h GLU 52 Cb 0.31 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.84 1k1f h GLU 52 CO -0.00 0.84 0.55 0.00 -1.18 0.00 0.00 179.01 179.22 1k1f h ARG 53 N 0.37 1.09 -0.29 1.92 3.08 -0.75 -1.86 114.38 117.93 1k1f h ARG 53 Ca 0.07 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1k1f h ARG 53 Cb 0.66 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1k1f h ARG 53 CO 0.04 0.72 0.01 0.35 -1.07 0.00 0.00 179.97 180.03 1k1f h PHE 54 N 1.12 0.55 0.00 3.04 3.57 -0.87 -0.01 116.94 124.34 1k1f h PHE 54 Ca 0.31 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.72 1k1f h PHE 54 Cb -0.12 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.48 1k1f h PHE 54 CO -0.00 0.63 0.00 -2.13 -2.23 0.00 0.00 178.31 174.58 1k1f n ARG 55 N -4.60 0.11 0.00 1.11 0.63 -0.43 -1.24 116.66 112.24 1k1f n ARG 55 Ca -0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 1k1f n ARG 55 Cb 0.24 -1.22 0.00 0.00 0.45 0.00 0.00 32.46 31.93 1k1f n ARG 55 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1k1f n ILE 57 N 0.66 0.00 -0.19 5.15 5.41 -0.02 -0.63 119.36 129.74 1k1f n ILE 57 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1k1f n ILE 57 Cb 0.04 0.00 0.09 0.00 -0.71 0.00 0.00 39.64 39.06 1k1f n ILE 57 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 1k1f h TYR 58 N 0.00 0.02 -0.12 1.39 3.20 -1.43 -1.61 116.97 118.42 1k1f h TYR 58 Ca 0.00 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.83 1k1f h TYR 58 Cb 0.00 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1k1f h TYR 58 CO 0.00 -0.12 -0.28 -0.07 -1.64 0.00 0.00 178.16 176.05 1k1f h LEU 59 N 0.15 0.22 -0.50 2.82 3.38 -1.14 -2.25 115.31 117.99 1k1f h LEU 59 Ca 0.30 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 1k1f h LEU 59 Cb 0.47 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1k1f h LEU 59 CO -0.46 0.50 0.05 -0.61 0.09 0.00 0.00 178.44 178.00 1k1f h GLN 60 N 0.20 0.85 0.00 1.13 5.75 -1.53 -0.78 115.11 120.72 1k1f h GLN 60 Ca 0.03 -0.25 -0.17 0.00 -0.15 0.00 0.00 58.65 58.11 1k1f h GLN 60 Cb 0.60 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.04 1k1f h GLN 60 CO 0.04 0.86 -0.82 1.15 -2.65 0.00 0.00 178.83 177.41 1k1f h THR 61 N 0.71 1.46 -0.45 2.39 2.02 -1.48 -0.47 112.91 117.08 1k1f h THR 61 Ca 0.15 -2.95 0.00 0.00 0.77 0.00 0.00 66.41 64.38 1k1f h THR 61 Cb 0.45 2.65 -0.02 0.00 -1.74 0.00 0.00 68.15 69.48 1k1f h THR 61 CO 0.02 0.81 0.29 0.25 0.37 0.00 0.00 175.52 177.26 1k1f h LEU 62 N 0.00 0.53 0.05 2.58 5.85 -1.30 -2.05 115.31 120.97 1k1f h LEU 62 Ca -0.01 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.70 1k1f h LEU 62 Cb 1.58 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.45 1k1f h LEU 62 CO 0.11 0.40 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.35 1k1f h LEU 63 N 0.61 -0.52 0.00 2.25 3.38 -0.94 -3.12 115.31 116.98 1k1f h LEU 63 Ca 0.17 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1k1f h LEU 63 Cb -0.05 0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1k1f h LEU 63 CO -0.03 -0.25 0.00 0.00 0.09 0.00 0.00 178.44 178.24 1k1f n ALA 64 N -2.50 0.00 0.24 1.53 0.00 -0.20 -0.96 120.51 118.62 1k1f n ALA 64 Ca -0.06 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.54 1k1f n ALA 64 Cb 0.23 0.07 0.69 0.00 0.00 0.00 0.00 19.45 20.44 1k1f n ALA 64 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1k1f h LYS 65 N 0.00 0.00 -0.63 0.00 2.10 -1.61 -1.31 116.57 115.12 1k1f h LYS 65 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1k1f h LYS 65 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1k1f h LYS 65 CO 0.00 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.84 1k1f n GLU 66 N -3.08 4.28 0.00 0.07 -0.58 -0.14 -5.16 120.64 116.03 1k1f n GLU 66 Ca 0.02 -2.98 0.00 0.00 -0.42 0.00 0.00 57.16 53.78 1k1f n GLU 66 Cb 0.57 -2.08 0.00 0.00 -0.57 0.00 0.00 31.44 29.36 1k1f n GLU 66 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28