#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3krx h ILE 9 N 0.00 1.40 -0.51 0.44 2.04 -2.05 -2.32 117.51 116.51 3krx h ILE 9 Ca 0.00 -1.94 -0.01 0.00 1.00 0.00 0.00 64.86 63.91 3krx h ILE 9 Cb 0.00 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 3krx h ILE 9 CO 0.00 0.56 0.28 0.00 0.00 0.00 0.00 178.15 178.99 3krx h ALA 10 N 1.36 0.66 -0.63 1.87 0.00 -2.05 -0.88 119.26 119.58 3krx h ALA 10 Ca -0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3krx h ALA 10 Cb 1.03 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3krx h ALA 10 CO 0.08 0.18 0.26 1.96 0.00 0.00 0.00 179.25 181.73 3krx h GLN 11 N 0.69 0.92 -0.04 0.00 1.08 -1.95 -0.25 115.11 115.57 3krx h GLN 11 Ca 0.18 -0.14 -0.11 0.00 -1.45 0.00 0.00 58.65 57.13 3krx h GLN 11 Cb 0.06 -0.16 0.01 0.00 -0.05 0.00 0.00 27.48 27.33 3krx h GLN 11 CO -0.03 0.75 -0.41 0.00 -0.95 0.00 0.00 178.83 178.19 3krx h ALA 12 N 1.38 0.10 0.00 3.87 0.00 -1.33 -3.17 119.26 120.11 3krx h ALA 12 Ca 0.22 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 3krx h ALA 12 Cb 0.16 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3krx h ALA 12 CO -0.02 0.23 -0.27 0.00 0.00 0.00 0.00 179.25 179.19 3krx h ARG 13 N -0.19 0.00 -0.71 0.00 3.08 -1.08 -2.14 114.38 113.33 3krx h ARG 13 Ca -0.04 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3krx h ARG 13 Cb 1.10 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.12 3krx h ARG 13 CO 0.08 0.27 0.38 -0.22 -1.07 0.00 0.00 179.97 179.42 3krx h LYS 14 N 0.00 1.00 -0.15 0.04 3.64 -1.09 -2.53 116.57 117.48 3krx h LYS 14 Ca -0.00 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.19 3krx h LYS 14 Cb 0.58 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3krx h LYS 14 CO 0.04 0.75 -0.15 1.25 -2.27 0.00 0.00 179.45 179.07 3krx h LEU 15 N 0.99 0.39 -1.04 5.20 5.85 -1.38 -2.47 115.31 122.86 3krx h LEU 15 Ca 0.25 -0.48 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 3krx h LEU 15 Cb 0.05 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 3krx h LEU 15 CO -0.04 0.79 0.39 0.58 -0.34 0.00 0.00 178.44 179.82 3krx h VAL 16 N 0.01 1.23 -0.42 1.05 2.07 -1.44 0.30 116.25 119.05 3krx h VAL 16 Ca 0.03 -0.61 -0.08 0.00 0.82 0.00 0.00 66.70 66.85 3krx h VAL 16 Cb 0.67 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3krx h VAL 16 CO 0.04 0.27 -0.08 -0.33 0.02 0.00 0.00 177.57 177.48 3krx h GLU 17 N 1.07 0.74 -0.08 1.57 5.08 -1.46 -1.44 114.58 120.07 3krx h GLU 17 Ca 0.27 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 3krx h GLU 17 Cb 0.06 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3krx h GLU 17 CO -0.04 0.81 -0.20 0.37 -1.00 0.00 0.00 179.01 178.95 3krx h GLN 18 N 0.68 0.27 0.00 2.33 5.75 -0.87 -2.57 115.11 120.70 3krx h GLN 18 Ca 0.12 -0.19 -0.04 0.00 -0.15 0.00 0.00 58.65 58.39 3krx h GLN 18 Cb 0.54 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.11 3krx h GLN 18 CO 0.03 0.80 -0.19 -0.07 -2.65 0.00 0.00 178.83 176.76 3krx h LEU 19 N -0.22 0.00 -0.63 -2.39 3.38 -0.39 0.23 115.31 115.29 3krx h LEU 19 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 3krx h LEU 19 Cb 0.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3krx h LEU 19 CO 0.04 0.19 -0.54 0.50 0.09 0.00 0.00 178.44 178.72 3krx h LYS 20 N 0.00 0.40 0.00 1.13 3.64 -1.31 -2.70 116.57 117.74 3krx h LYS 20 Ca -0.00 -0.25 -0.11 0.00 -1.27 0.00 0.00 60.65 59.02 3krx h LYS 20 Cb 0.55 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 3krx h LYS 20 CO 0.02 0.84 -0.53 1.98 -2.27 0.00 0.00 179.45 179.49 3krx h MET 21 N 0.31 0.00 0.09 1.90 4.05 -0.24 -2.34 114.93 118.70 3krx h MET 21 Ca 0.01 0.00 -0.27 0.00 -0.28 0.00 0.00 59.70 59.16 3krx h MET 21 Cb 1.05 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.84 3krx h MET 21 CO 0.09 0.53 -1.27 0.93 0.23 0.00 0.00 176.91 177.42 3krx h GLU 22 N 0.00 0.19 0.00 0.39 5.08 -0.87 -3.27 114.58 116.10 3krx h GLU 22 Ca -0.01 -0.33 -0.09 0.00 -1.00 0.00 0.00 59.36 57.94 3krx h GLU 22 Cb 0.96 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 3krx h GLU 22 CO 0.07 1.11 -0.42 0.00 -1.00 0.00 0.00 179.01 178.77 3krx h ALA 23 N 0.68 1.07 -0.26 3.43 0.00 -1.47 -3.22 119.26 119.49 3krx h ALA 23 Ca -0.14 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 3krx h ALA 23 Cb 1.94 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.60 3krx h ALA 23 CO 0.17 0.52 0.12 -1.71 0.00 0.00 0.00 179.25 178.35 3krx n ASN 24 N -3.70 2.93 -4.84 0.00 5.15 -0.89 -4.74 115.26 109.18 3krx n ASN 24 Ca -0.01 -2.42 -0.36 0.00 -0.60 0.00 0.00 54.58 51.19 3krx n ASN 24 Cb 0.50 -0.59 -0.07 0.00 -0.53 0.00 0.00 39.78 39.09 3krx n ASN 24 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3krx s ILE 25 N -1.27 5.26 0.39 -1.44 -4.36 -1.22 -5.04 121.20 113.51 3krx s ILE 25 Ca 0.18 0.11 -0.15 0.00 -0.26 0.00 0.00 60.65 60.53 3krx s ILE 25 Cb 0.14 -3.28 -0.08 0.00 1.25 0.00 0.00 42.46 40.49 3krx s ILE 25 CO 0.04 0.61 0.81 1.51 0.24 0.00 0.00 174.94 178.16 3krx s ASP 26 N -1.02 6.69 0.05 4.36 1.47 -1.26 -5.09 116.67 121.88 3krx s ASP 26 Ca 0.15 1.33 0.06 0.00 1.18 0.00 0.00 52.55 55.27 3krx s ASP 26 Cb -0.12 -2.40 -0.02 0.00 -0.34 0.00 0.00 42.92 40.04 3krx s ASP 26 CO 0.04 -0.34 -0.17 -0.13 0.68 0.00 0.00 175.17 175.25 3krx s ARG 27 N -3.44 1.09 0.35 2.11 0.52 -1.26 -5.15 118.95 113.17 3krx s ARG 27 Ca 0.55 -0.87 0.07 0.00 -0.52 0.00 0.00 55.73 54.97 3krx s ARG 27 Cb -0.10 -1.16 -0.02 0.00 0.52 0.00 0.00 34.95 34.19 3krx s ARG 27 CO 0.23 0.29 0.40 0.96 0.02 0.00 0.00 175.30 177.20 3krx s ILE 28 N -0.89 3.67 0.35 1.52 -4.36 -1.26 -5.09 121.20 115.14 3krx s ILE 28 Ca 0.04 -1.17 -0.26 0.00 -0.26 0.00 0.00 60.65 59.00 3krx s ILE 28 Cb -0.08 -3.26 -0.09 0.00 1.25 0.00 0.00 42.46 40.28 3krx s ILE 28 CO 0.02 -0.14 1.04 -0.54 0.24 0.00 0.00 174.94 175.56 3krx s LYS 29 N -4.11 4.38 0.47 0.37 1.02 -1.26 -4.86 119.74 115.74 3krx s LYS 29 Ca 0.44 1.56 0.12 0.00 0.02 0.00 0.00 55.97 58.11 3krx s LYS 29 Cb -0.08 -2.77 1.09 0.00 -0.52 0.00 0.00 37.83 35.55 3krx s LYS 29 CO 0.29 0.04 2.11 0.28 -0.92 0.00 0.00 175.35 177.15 3krx h VAL 30 N 2.52 1.05 -0.55 3.17 2.07 -1.98 0.20 116.25 122.72 3krx h VAL 30 Ca -0.47 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.01 3krx h VAL 30 Cb 1.21 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 3krx h VAL 30 CO 0.64 0.05 0.25 0.77 0.02 0.00 0.00 177.57 179.30 3krx h SER 31 N 0.24 0.33 0.39 0.57 4.64 -2.00 0.66 113.55 118.39 3krx h SER 31 Ca 0.07 0.04 -0.17 0.00 -0.47 0.00 0.00 61.79 61.26 3krx h SER 31 Cb -0.02 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 3krx h SER 31 CO -0.01 0.22 -0.70 0.50 -0.87 0.00 0.00 176.83 175.97 3krx h LYS 32 N 0.48 0.27 -0.07 4.77 1.63 -1.40 -2.33 116.57 119.92 3krx h LYS 32 Ca 0.25 -0.22 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 3krx h LYS 32 Cb 0.21 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 31.88 3krx h LYS 32 CO -0.20 0.87 0.02 0.00 -3.45 0.00 0.00 179.45 176.68 3krx h ALA 33 N 1.07 0.10 -0.09 5.00 0.00 -0.10 -2.80 119.26 122.44 3krx h ALA 33 Ca -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3krx h ALA 33 Cb 1.26 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3krx h ALA 33 CO 0.11 -0.29 -0.00 0.00 0.00 0.00 0.00 179.25 179.08 3krx h ALA 34 N 0.82 0.12 -0.65 0.00 0.00 -0.95 -3.13 119.26 115.47 3krx h ALA 34 Ca 0.02 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 54.93 3krx h ALA 34 Cb 0.23 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3krx h ALA 34 CO -0.00 -0.19 0.46 0.00 0.00 0.00 0.00 179.25 179.52 3krx h ALA 35 N 0.73 2.55 0.13 0.00 0.00 -1.43 -1.09 119.26 120.15 3krx h ALA 35 Ca 0.03 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 3krx h ALA 35 Cb 0.35 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3krx h ALA 35 CO 0.00 -0.73 -1.32 -0.44 0.00 0.00 0.00 179.25 176.77 3krx h ASP 36 N 0.05 0.44 0.27 0.00 5.19 -1.48 -2.56 116.42 118.33 3krx h ASP 36 Ca 0.31 -0.50 -0.01 0.00 -0.62 0.00 0.00 57.03 56.21 3krx h ASP 36 Cb 1.17 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.54 3krx h ASP 36 CO -0.02 1.40 -0.13 -0.07 -3.12 0.00 0.00 179.24 177.30 3krx h LEU 37 N 0.08 -0.31 -1.75 1.55 3.38 -1.19 -2.24 115.31 114.82 3krx h LEU 37 Ca -0.16 -0.14 0.18 0.00 0.09 0.00 0.00 57.88 57.85 3krx h LEU 37 Cb 1.99 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 42.78 3krx h LEU 37 CO 0.20 -0.03 0.52 -0.03 0.09 0.00 0.00 178.44 179.19 3krx h MET 38 N -0.59 0.22 -0.64 1.13 4.05 -1.36 0.47 114.93 118.20 3krx h MET 38 Ca -0.04 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.33 3krx h MET 38 Cb 0.43 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.15 3krx h MET 38 CO 0.06 0.15 0.24 0.00 0.23 0.00 0.00 176.91 177.59 3krx h ALA 39 N 1.64 1.24 -0.12 0.39 0.00 -1.23 -2.44 119.26 118.73 3krx h ALA 39 Ca 0.37 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3krx h ALA 39 Cb 1.13 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 3krx h ALA 39 CO -0.08 0.56 -0.21 -0.92 0.00 0.00 0.00 179.25 178.59 3krx h TYR 40 N 0.92 0.45 0.31 0.00 5.03 0.50 -2.80 116.97 121.38 3krx h TYR 40 Ca 0.21 -0.16 -0.02 0.00 2.58 0.00 0.00 58.73 61.35 3krx h TYR 40 Cb 0.19 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 38.39 3krx h TYR 40 CO 0.01 0.82 -0.15 0.00 -1.32 0.00 0.00 178.16 177.53 3krx h GLU 42 N -0.65 0.03 0.50 0.00 4.57 -1.57 0.14 114.58 117.60 3krx h GLU 42 Ca -0.04 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 3krx h GLU 42 Cb 0.46 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 3krx h GLU 42 CO 0.07 0.02 -0.24 0.00 -1.18 0.00 0.00 179.01 177.68 3krx h ALA 43 N 1.64 -0.67 -0.18 2.92 0.00 -1.34 -3.12 119.26 118.52 3krx h ALA 43 Ca 0.33 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3krx h ALA 43 Cb 0.52 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3krx h ALA 43 CO -0.65 -0.86 0.00 0.72 0.00 0.00 0.00 179.25 178.47 3krx n HIS 44 N -5.36 0.23 -0.07 0.00 8.25 -0.72 -4.22 115.22 113.33 3krx n HIS 44 Ca -0.12 -0.11 0.08 0.00 -0.26 0.00 0.00 57.72 57.31 3krx n HIS 44 Cb 0.29 0.00 0.45 0.00 1.12 0.00 0.00 29.99 31.85 3krx n HIS 44 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3krx h ALA 45 N 3.96 1.85 -0.58 -1.41 0.00 -0.66 -1.95 119.26 120.47 3krx h ALA 45 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3krx h ALA 45 Cb 0.45 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3krx h ALA 45 CO 0.00 0.06 0.39 0.87 0.00 0.00 0.00 179.25 180.57 3krx h LYS 46 N 0.52 0.75 0.00 0.00 6.56 -1.80 -3.08 116.57 119.52 3krx h LYS 46 Ca 0.24 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.78 3krx h LYS 46 Cb 0.27 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 31.76 3krx h LYS 46 CO -0.07 0.50 -0.90 0.39 -2.06 0.00 0.00 179.45 177.31 3krx n GLU 47 N -4.45 0.48 -2.13 3.15 4.71 -0.75 -4.77 120.64 116.89 3krx n GLU 47 Ca 0.06 0.10 -0.43 0.00 -0.01 0.00 0.00 57.16 56.88 3krx n GLU 47 Cb 0.06 -1.76 -0.02 0.00 -1.01 0.00 0.00 31.44 28.71 3krx n GLU 47 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3krx s ASP 48 N -4.85 6.20 0.17 1.62 3.68 -1.12 -4.91 116.67 117.45 3krx s ASP 48 Ca 0.02 1.34 0.26 0.00 2.13 0.00 0.00 52.55 56.30 3krx s ASP 48 Cb 0.11 -2.53 0.91 0.00 -1.45 0.00 0.00 42.92 39.97 3krx s ASP 48 CO 0.77 -1.45 1.78 -2.65 0.13 0.00 0.00 175.17 173.75 3krx n PRO 49 N 8.01 0.18 0.16 4.34 -0.02 -1.26 -0.26 135.00 146.16 3krx n PRO 49 Ca 0.20 0.21 0.13 0.00 -2.02 0.00 0.00 63.50 62.02 3krx n PRO 49 Cb 0.46 -1.74 0.44 0.00 -0.02 0.00 0.00 33.50 32.64 3krx n PRO 49 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3krx h LEU 50 N 0.00 0.00 0.00 2.45 3.38 -1.96 -3.25 115.31 115.93 3krx h LEU 50 Ca 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 3krx h LEU 50 Cb 0.60 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 3krx h LEU 50 CO 0.00 0.00 -2.20 0.18 0.09 0.00 0.00 178.44 176.51 3krx n LEU 51 N -2.54 1.54 -4.19 1.67 4.77 -1.09 -4.89 117.00 112.28 3krx n LEU 51 Ca 0.03 0.25 -0.40 0.00 -0.03 0.00 0.00 56.01 55.86 3krx n LEU 51 Cb 0.36 -0.63 -0.07 0.00 -2.33 0.00 0.00 43.42 40.75 3krx n LEU 51 CO 0.27 0.45 0.15 -0.89 -1.33 0.00 0.00 177.39 176.04 3krx s THR 52 N -2.39 4.37 0.58 -5.08 2.01 0.64 -5.08 115.64 110.69 3krx s THR 52 Ca -0.30 -2.62 -0.19 0.00 0.31 0.00 0.00 61.69 58.89 3krx s THR 52 Cb 0.11 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 3krx s THR 52 CO 0.38 -0.91 1.19 -2.16 -0.69 0.00 0.00 174.62 172.43 3krx s PRO 53 N 0.23 3.06 0.40 4.92 0.04 -1.23 -4.12 135.00 138.30 3krx s PRO 53 Ca 0.15 1.77 0.08 0.00 0.04 0.00 0.00 61.00 63.04 3krx s PRO 53 Cb -0.18 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.41 3krx s PRO 53 CO -0.05 -1.13 0.51 0.14 0.04 0.00 0.00 177.00 176.51 3krx s VAL 54 N -1.64 3.22 0.44 -0.36 -7.23 -1.26 -5.06 120.40 108.52 3krx s VAL 54 Ca 0.76 -1.06 -0.24 0.00 -1.81 0.00 0.00 61.98 59.62 3krx s VAL 54 Cb -0.29 -3.10 -0.09 0.00 0.56 0.00 0.00 36.38 33.46 3krx s VAL 54 CO 0.32 -0.04 1.21 -2.65 -0.31 0.00 0.00 175.10 173.62 3krx n PRO 55 N -1.74 1.73 -0.34 4.82 -0.02 -1.26 -4.85 135.00 133.34 3krx n PRO 55 Ca 0.05 0.62 0.06 0.00 -2.02 0.00 0.00 63.50 62.21 3krx n PRO 55 Cb 0.59 -2.32 0.22 0.00 -0.02 0.00 0.00 33.50 31.97 3krx n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3krx h ALA 56 N 1.81 1.41 0.00 3.55 0.00 -1.97 -0.93 119.26 123.13 3krx h ALA 56 Ca -0.47 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 3krx h ALA 56 Cb 1.31 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3krx h ALA 56 CO 0.58 0.17 -0.29 0.66 0.00 0.00 0.00 179.25 180.37 3krx h SER 57 N 0.91 0.00 0.22 0.00 4.64 -1.90 -2.70 113.55 114.72 3krx h SER 57 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 3krx h SER 57 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3krx h SER 57 CO -0.27 0.29 -0.18 -0.62 -0.87 0.00 0.00 176.83 175.19 3krx n GLU 58 N -3.88 0.95 -3.72 4.77 -0.58 -0.39 -3.82 120.64 113.97 3krx n GLU 58 Ca -0.02 -0.51 -0.37 0.00 -0.42 0.00 0.00 57.16 55.85 3krx n GLU 58 Cb 0.37 -1.49 -0.11 0.00 -0.57 0.00 0.00 31.44 29.64 3krx n GLU 58 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3krx s ASN 59 N -2.40 5.73 0.55 1.62 3.84 -1.00 -4.96 114.94 118.31 3krx s ASN 59 Ca 0.28 -0.03 0.22 0.00 0.21 0.00 0.00 52.86 53.54 3krx s ASN 59 Cb 0.20 -2.04 1.47 0.00 -0.55 0.00 0.00 41.25 40.33 3krx s ASN 59 CO 0.48 0.02 2.16 -0.65 -2.79 0.00 0.00 177.10 176.31 3krx h PRO 60 N 7.88 0.00 -0.72 0.43 0.11 -1.87 -3.01 132.00 134.82 3krx h PRO 60 Ca -0.37 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.48 3krx h PRO 60 Cb 1.18 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.13 3krx h PRO 60 CO 0.60 0.00 0.30 1.19 -0.21 0.00 0.00 178.00 179.88 3krx n PHE 61 N -4.26 2.33 0.03 0.65 3.72 -1.26 -4.50 117.46 114.16 3krx n PHE 61 Ca -0.01 -1.38 0.00 0.00 -0.05 0.00 0.00 57.45 56.01 3krx n PHE 61 Cb 0.16 -0.70 0.00 0.00 -0.94 0.00 0.00 39.48 38.00 3krx n PHE 61 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3krx n ARG 62 N -0.53 0.00 -0.07 -1.08 1.74 -1.15 -5.03 116.66 110.54 3krx n ARG 62 Ca 0.43 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 3krx n ARG 62 Cb 1.38 -0.01 0.00 0.00 -1.02 0.00 0.00 32.46 32.80 3krx n ARG 62 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3krx n GLU 63 N -2.70 0.00 -2.13 5.56 1.02 -1.10 -5.04 120.64 116.25 3krx n GLU 63 Ca 0.00 -0.55 -0.41 0.00 -0.02 0.00 0.00 57.16 56.18 3krx n GLU 63 Cb 0.00 -0.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.92 3krx n GLU 63 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3krx s LYS 64 N 0.00 4.35 -0.08 3.49 2.20 -1.18 -4.66 119.74 123.86 3krx s LYS 64 Ca 0.00 2.19 -0.02 0.00 -0.36 0.00 0.00 55.97 57.77 3krx s LYS 64 Cb 0.00 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.16 3krx s LYS 64 CO 0.00 -0.25 -0.09 1.17 -0.36 0.00 0.00 175.35 175.82 3krx n LYS 65 N 1.66 0.18 -3.48 4.03 4.81 -1.26 -4.97 118.16 119.13 3krx n LYS 65 Ca 0.03 0.06 -0.38 0.00 -0.87 0.00 0.00 58.31 57.16 3krx n LYS 65 Cb 0.42 -0.95 -0.06 0.00 0.02 0.00 0.00 35.03 34.46 3krx n LYS 65 CO 0.00 0.00 0.00 -0.59 1.17 0.00 0.00 177.40 177.98 3krx s PHE 66 N -2.15 3.72 0.00 5.64 -0.12 -1.26 -5.24 117.98 118.56 3krx s PHE 66 Ca -0.11 1.01 0.00 0.00 -0.05 0.00 0.00 56.93 57.78 3krx s PHE 66 Cb 0.04 -2.30 0.00 0.00 -0.63 0.00 0.00 43.02 40.13 3krx s PHE 66 CO 0.16 0.61 0.01 1.19 -0.05 0.00 0.00 175.22 177.14