#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3krc n GLN 2 N 0.00 0.06 -0.06 2.12 1.13 -1.26 -4.86 117.38 114.52 3krc n GLN 2 Ca 0.00 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.95 3krc n GLN 2 Cb 0.00 -0.59 -0.05 0.00 0.11 0.00 0.00 30.24 29.71 3krc n GLN 2 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 3krc h PRO 3 N 0.00 0.29 -0.56 -1.09 0.13 -2.06 -1.62 132.00 127.10 3krc h PRO 3 Ca 0.00 -0.06 0.08 0.00 -0.87 0.00 0.00 66.00 65.14 3krc h PRO 3 Cb 0.18 -0.04 -0.06 0.00 0.13 0.00 0.00 31.00 31.21 3krc h PRO 3 CO 0.00 0.40 0.22 -0.92 -0.23 0.00 0.00 178.00 177.47 3krc h TYR 4 N 0.13 0.39 -0.53 1.56 3.20 -2.00 -0.22 116.97 119.50 3krc h TYR 4 Ca 0.06 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.88 3krc h TYR 4 Cb 0.23 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 3krc h TYR 4 CO 0.00 0.13 0.03 -1.49 -1.64 0.00 0.00 178.16 175.19 3krc h TRP 5 N 0.41 0.98 -0.18 -3.82 4.06 -1.88 -2.93 115.95 112.60 3krc h TRP 5 Ca 0.27 -0.16 0.01 0.00 2.06 0.00 0.00 58.89 61.08 3krc h TRP 5 Cb 0.29 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 28.17 3krc h TRP 5 CO -0.15 0.90 0.07 0.00 -3.56 0.00 0.00 178.44 175.70 3krc h ALA 6 N 0.96 0.21 0.00 1.49 0.00 -0.51 -2.02 119.26 119.38 3krc h ALA 6 Ca 0.15 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3krc h ALA 6 Cb 0.49 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3krc h ALA 6 CO 0.02 -0.36 -0.02 0.00 0.00 0.00 0.00 179.25 178.89 3krc h ALA 7 N 1.10 1.33 -0.02 0.00 0.00 -1.02 -1.62 119.26 119.03 3krc h ALA 7 Ca 0.08 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3krc h ALA 7 Cb 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3krc h ALA 7 CO -0.07 0.03 -0.16 0.82 0.00 0.00 0.00 179.25 179.87 3krc h ILE 8 N 0.00 1.51 -0.87 0.00 2.04 -1.20 0.24 117.51 119.23 3krc h ILE 8 Ca -0.00 -1.72 -0.02 0.00 1.00 0.00 0.00 64.86 64.12 3krc h ILE 8 Cb 0.07 2.56 -0.04 0.00 -0.74 0.00 0.00 36.82 38.68 3krc h ILE 8 CO 0.00 0.47 0.48 -0.33 0.00 0.00 0.00 178.15 178.77 3krc h GLU 9 N -0.47 1.21 -0.24 2.37 5.08 -0.90 -1.76 114.58 119.87 3krc h GLU 9 Ca -0.01 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3krc h GLU 9 Cb 0.85 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3krc h GLU 9 CO 0.03 0.88 0.14 0.00 -1.00 0.00 0.00 179.01 179.07 3krc h ALA 10 N 1.26 0.31 -1.01 3.43 0.00 -1.28 0.11 119.26 122.08 3krc h ALA 10 Ca 0.31 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.21 3krc h ALA 10 Cb 0.03 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 3krc h ALA 10 CO -0.05 -0.18 0.66 -0.44 0.00 0.00 0.00 179.25 179.24 3krc h ASP 11 N 0.30 1.10 -0.09 0.00 3.45 -0.55 0.34 116.42 120.96 3krc h ASP 11 Ca 0.09 -0.01 -0.17 0.00 0.43 0.00 0.00 57.03 57.37 3krc h ASP 11 Cb 0.03 -0.25 -0.00 0.00 -0.56 0.00 0.00 39.33 38.55 3krc h ASP 11 CO -0.02 0.75 -0.56 0.40 -1.57 0.00 0.00 179.24 178.25 3krc h ILE 12 N 1.27 1.30 -0.28 0.35 2.04 -0.98 -1.98 117.51 119.23 3krc h ILE 12 Ca 0.40 -1.78 -0.07 0.00 1.00 0.00 0.00 64.86 64.41 3krc h ILE 12 Cb 0.01 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 3krc h ILE 12 CO -0.13 0.56 -0.11 -0.08 0.00 0.00 0.00 178.15 178.39 3krc h GLU 13 N 0.52 0.57 0.00 2.37 4.81 0.40 -0.76 114.58 122.50 3krc h GLU 13 Ca 0.01 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 58.98 3krc h GLU 13 Cb 1.13 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 3krc h GLU 13 CO 0.11 0.80 -0.10 -0.09 -0.73 0.00 0.00 179.01 179.01 3krc h ARG 14 N 0.32 0.00 0.05 1.92 2.43 -0.37 -1.48 114.38 117.24 3krc h ARG 14 Ca 0.07 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.96 3krc h ARG 14 Cb 0.62 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.19 3krc h ARG 14 CO 0.04 0.10 -1.12 -0.92 -1.51 0.00 0.00 179.97 176.55 3krc h TYR 15 N 0.00 1.00 -0.09 2.20 5.03 -0.94 -1.94 116.97 122.23 3krc h TYR 15 Ca -0.00 -0.58 0.00 0.00 2.58 0.00 0.00 58.73 60.73 3krc h TYR 15 Cb 0.18 -0.10 -0.00 0.00 1.55 0.00 0.00 36.73 38.35 3krc h TYR 15 CO 0.00 1.42 0.06 -0.07 -1.32 0.00 0.00 178.16 178.24 3krc h LEU 16 N 0.33 0.10 -1.48 2.82 3.38 -0.65 -1.20 115.31 118.62 3krc h LEU 16 Ca -0.15 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3krc h LEU 16 Cb 1.78 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.48 3krc h LEU 16 CO 0.22 0.09 0.32 0.11 0.09 0.00 0.00 178.44 179.26 3krc h LYS 17 N 0.11 0.67 0.00 1.13 1.57 -1.32 0.40 116.57 119.13 3krc h LYS 17 Ca 0.03 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 3krc h LYS 17 Cb -0.00 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 3krc h LYS 17 CO -0.01 0.45 -0.40 -0.22 -0.57 0.00 0.00 179.45 178.71 3krc h LYS 18 N 0.69 0.00 0.00 3.15 3.64 -1.05 -3.28 116.57 119.72 3krc h LYS 18 Ca 0.18 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.38 3krc h LYS 18 Cb -0.06 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 3krc h LYS 18 CO -0.04 0.40 -1.39 0.77 -2.27 0.00 0.00 179.45 176.92 3krc h SER 19 N 0.00 0.00 -3.80 4.20 0.02 0.72 -3.43 113.55 111.26 3krc h SER 19 Ca -0.00 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.25 3krc h SER 19 Cb 0.94 0.00 -0.35 0.00 0.14 0.00 0.00 62.40 63.12 3krc h SER 19 CO 0.05 0.63 -0.48 -0.63 -1.14 0.00 0.00 176.83 175.26 3krc s ILE 20 N -2.88 3.42 -0.26 3.27 1.01 0.10 -5.08 121.20 120.78 3krc s ILE 20 Ca -0.03 -2.50 -0.13 0.00 0.00 0.00 0.00 60.65 57.99 3krc s ILE 20 Cb 0.09 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 3krc s ILE 20 CO 0.81 -0.77 0.30 -0.89 0.00 0.00 0.00 174.94 174.39 3krc s THR 21 N 0.57 5.24 0.05 2.92 2.01 -1.26 -4.77 115.64 120.39 3krc s THR 21 Ca 0.12 0.44 -0.30 0.00 0.31 0.00 0.00 61.69 62.26 3krc s THR 21 Cb -0.22 -3.63 -0.08 0.00 0.01 0.00 0.00 72.50 68.58 3krc s THR 21 CO -0.04 0.22 1.67 -0.63 -0.69 0.00 0.00 174.62 175.15 3krc s ILE 22 N 1.71 3.12 0.31 1.82 1.01 -1.26 -4.90 121.20 123.01 3krc s ILE 22 Ca 0.13 0.50 -0.12 0.00 0.00 0.00 0.00 60.65 61.15 3krc s ILE 22 Cb -0.15 -3.32 0.05 0.00 0.01 0.00 0.00 42.46 39.05 3krc s ILE 22 CO 0.09 -0.01 0.66 -2.11 0.00 0.00 0.00 174.94 173.57 3krc n ARG 23 N 5.92 0.91 -1.95 2.79 1.85 -1.26 -5.04 116.66 119.88 3krc n ARG 23 Ca 0.16 -1.79 -0.42 0.00 -1.00 0.00 0.00 57.85 54.80 3krc n ARG 23 Cb 0.41 2.24 -0.03 0.00 -1.05 0.00 0.00 32.46 34.03 3krc n ARG 23 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 3krc s PRO 24 N -2.07 4.21 -0.16 2.89 0.02 -1.26 -1.57 135.00 137.06 3krc s PRO 24 Ca 0.13 2.31 -0.19 0.00 0.02 0.00 0.00 61.00 63.27 3krc s PRO 24 Cb -0.04 -3.52 -0.04 0.00 0.02 0.00 0.00 34.50 30.93 3krc s PRO 24 CO 0.09 -0.70 0.53 -1.25 -0.33 0.00 0.00 177.00 175.34 3krc s PRO 25 N 2.35 4.27 0.54 5.54 0.04 -1.26 -5.01 135.00 141.48 3krc s PRO 25 Ca 0.72 0.49 0.26 0.00 0.04 0.00 0.00 61.00 62.51 3krc s PRO 25 Cb -0.40 -3.50 1.42 0.00 0.04 0.00 0.00 34.50 32.05 3krc s PRO 25 CO 0.32 -0.02 2.00 1.49 0.04 0.00 0.00 177.00 180.82 3krc h GLU 26 N 7.12 0.00 0.00 4.56 4.22 -1.70 -0.53 114.58 128.24 3krc h GLU 26 Ca -0.37 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.05 3krc h GLU 26 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 3krc h GLU 26 CO 0.75 0.00 -0.12 1.79 -2.18 0.00 0.00 179.01 179.25 3krc h THR 27 N 0.00 0.82 0.00 0.32 1.35 -1.99 0.38 112.91 113.79 3krc h THR 27 Ca 0.24 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 3krc h THR 27 Cb 0.99 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 3krc h THR 27 CO -0.00 0.12 -0.19 0.58 -0.25 0.00 0.00 175.52 175.77 3krc h VAL 28 N 0.00 0.00 0.00 6.82 2.07 -1.46 -3.39 116.25 120.28 3krc h VAL 28 Ca -0.00 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 3krc h VAL 28 Cb 0.26 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 3krc h VAL 28 CO 0.02 0.00 -0.24 -0.26 0.02 0.00 0.00 177.57 177.10 3krc h PHE 29 N -0.66 0.00 0.38 1.57 -1.00 -1.42 -2.12 116.94 113.69 3krc h PHE 29 Ca 0.00 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 3krc h PHE 29 Cb 0.19 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.72 3krc h PHE 29 CO -0.08 0.24 -0.44 0.78 -1.61 0.00 0.00 178.31 177.20 3krc h GLY 30 N 1.28 -1.03 2.00 -1.45 0.00 -0.46 -1.92 103.07 101.49 3krc h GLY 30 Ca -0.00 0.51 -0.15 0.00 0.00 0.00 0.00 47.33 47.69 3krc h GLY 30 CO 0.03 -0.33 -0.72 -0.56 0.00 0.00 0.00 176.54 174.96 3krc h PRO 31 N -0.85 0.00 -0.13 4.80 0.13 -1.73 -1.88 132.00 132.34 3krc h PRO 31 Ca -0.03 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.13 3krc h PRO 31 Cb 0.77 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.86 3krc h PRO 31 CO -0.10 0.72 -0.10 1.98 -0.23 0.00 0.00 178.00 180.28 3krc h MET 32 N 0.00 -0.10 -0.08 0.86 4.05 -1.30 -0.45 114.93 117.92 3krc h MET 32 Ca -0.01 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 3krc h MET 32 Cb 1.29 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 32.11 3krc h MET 32 CO 0.09 -0.07 0.00 1.25 0.23 0.00 0.00 176.91 178.42 3krc h HIS 33 N -0.10 0.14 -0.80 1.39 -0.00 -1.34 -1.08 115.15 113.36 3krc h HIS 33 Ca 0.08 -0.02 0.08 0.00 -0.00 0.00 0.00 60.37 60.51 3krc h HIS 33 Cb 0.23 -0.04 -0.07 0.00 -0.00 0.00 0.00 27.41 27.53 3krc h HIS 33 CO -0.23 0.38 0.46 1.25 -0.00 0.00 0.00 177.93 179.79 3krc h HIS 34 N -0.14 0.83 0.00 5.26 6.17 -1.12 -2.38 115.15 123.77 3krc h HIS 34 Ca 0.02 0.03 -0.17 0.00 0.71 0.00 0.00 60.37 60.96 3krc h HIS 34 Cb 0.32 -0.25 -0.02 0.00 2.52 0.00 0.00 27.41 29.97 3krc h HIS 34 CO 0.03 0.36 -0.81 -0.07 0.71 0.00 0.00 177.93 178.15 3krc h LEU 35 N 0.79 0.00 -1.13 0.26 3.38 -1.06 -0.42 115.31 117.12 3krc h LEU 35 Ca 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 3krc h LEU 35 Cb 0.31 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 3krc h LEU 35 CO -0.23 0.81 0.41 0.74 0.09 0.00 0.00 178.44 180.26 3krc h THR 36 N 0.00 1.22 0.00 0.22 2.02 -0.69 -3.18 112.91 112.50 3krc h THR 36 Ca -0.01 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.65 3krc h THR 36 Cb 1.55 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 3krc h THR 36 CO 0.11 0.24 -1.08 0.49 0.37 0.00 0.00 175.52 175.64 3krc n PHE 37 N -4.37 0.00 0.44 3.16 3.01 -1.00 -4.08 117.46 114.62 3krc n PHE 37 Ca 0.07 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.66 3krc n PHE 37 Cb 0.09 -0.05 0.37 0.00 -0.01 0.00 0.00 39.48 39.89 3krc n PHE 37 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3krc h ALA 38 N 2.86 1.00 -2.54 4.37 0.00 -1.07 -3.44 119.26 120.44 3krc h ALA 38 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 3krc h ALA 38 Cb 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3krc h ALA 38 CO 0.00 0.00 0.27 0.00 0.00 0.00 0.00 179.25 179.52 3krc s ALA 39 N -3.21 3.25 0.70 0.00 0.00 -1.20 -5.02 121.76 116.27 3krc s ALA 39 Ca 0.08 0.41 -0.16 0.00 0.00 0.00 0.00 51.96 52.28 3krc s ALA 39 Cb 0.09 -3.18 -0.01 0.00 0.00 0.00 0.00 23.12 20.02 3krc s ALA 39 CO 0.59 -0.12 0.87 -0.35 0.00 0.00 0.00 175.76 176.75 3krc n PRO 40 N 3.52 0.51 -1.61 0.00 -0.04 -1.26 -4.95 135.00 131.17 3krc n PRO 40 Ca 0.02 0.23 -0.31 0.00 -0.04 0.00 0.00 63.50 63.40 3krc n PRO 40 Cb 0.51 -2.12 0.05 0.00 -0.04 0.00 0.00 33.50 31.89 3krc n PRO 40 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3krc s ALA 41 N -1.79 2.61 -0.02 0.55 0.00 -1.26 -4.91 121.76 116.94 3krc s ALA 41 Ca 0.72 0.19 0.06 0.00 0.00 0.00 0.00 51.96 52.93 3krc s ALA 41 Cb -0.36 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 3krc s ALA 41 CO 0.51 -1.24 -0.21 -0.08 0.00 0.00 0.00 175.76 174.74 3krc s THR 42 N -2.89 1.64 0.17 0.00 -1.32 -1.26 -4.99 115.64 106.98 3krc s THR 42 Ca 0.60 -0.88 0.33 0.00 -1.21 0.00 0.00 61.69 60.53 3krc s THR 42 Cb -0.15 -1.37 0.33 0.00 -1.51 0.00 0.00 72.50 69.81 3krc s THR 42 CO 0.51 0.46 2.00 0.00 -2.21 0.00 0.00 174.62 175.39 3krc h ALA 43 N 5.74 1.00 -0.96 11.08 0.00 -1.99 -2.47 119.26 131.65 3krc h ALA 43 Ca -0.38 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.55 3krc h ALA 43 Cb 1.15 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 3krc h ALA 43 CO 0.48 0.00 0.64 0.00 0.00 0.00 0.00 179.25 180.36 3krc h ALA 44 N 2.02 1.23 -0.30 0.00 0.00 -1.93 0.55 119.26 120.82 3krc h ALA 44 Ca 0.00 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 3krc h ALA 44 Cb 0.08 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 3krc h ALA 44 CO 0.00 0.59 -0.47 1.03 0.00 0.00 0.00 179.25 180.40 3krc h SER 45 N 1.29 0.93 0.10 0.00 0.87 -1.74 -2.10 113.55 112.90 3krc h SER 45 Ca 0.36 -0.52 -0.00 0.00 -1.23 0.00 0.00 61.79 60.40 3krc h SER 45 Cb -0.13 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.57 3krc h SER 45 CO -0.08 1.27 -0.05 0.74 -0.53 0.00 0.00 176.83 178.18 3krc h THR 46 N 0.63 1.00 -0.54 2.23 2.02 -1.26 -2.75 112.91 114.25 3krc h THR 46 Ca 0.03 -0.37 0.08 0.00 0.77 0.00 0.00 66.41 66.92 3krc h THR 46 Cb 1.07 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.69 3krc h THR 46 CO 0.11 0.09 0.36 0.25 0.37 0.00 0.00 175.52 176.70 3krc h LEU 47 N -0.30 0.35 -0.05 2.58 5.85 0.01 -0.88 115.31 122.86 3krc h LEU 47 Ca -0.01 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3krc h LEU 47 Cb 0.25 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 3krc h LEU 47 CO 0.02 0.22 0.02 0.00 -0.34 0.00 0.00 178.44 178.37 3krc h LEU 49 N -0.06 0.58 -1.44 0.00 3.38 -1.33 -2.74 115.31 113.70 3krc h LEU 49 Ca 0.02 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 3krc h LEU 49 Cb 0.15 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3krc h LEU 49 CO -0.00 0.66 0.12 0.00 0.09 0.00 0.00 178.44 179.30 3krc h ALA 50 N 0.94 1.56 0.00 1.53 0.00 -1.15 -2.29 119.26 119.86 3krc h ALA 50 Ca 0.12 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3krc h ALA 50 Cb 0.30 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3krc h ALA 50 CO 0.00 0.34 -0.66 0.00 0.00 0.00 0.00 179.25 178.93 3krc h ALA 51 N 1.64 0.87 -0.38 0.00 0.00 -1.26 0.66 119.26 120.79 3krc h ALA 51 Ca 0.12 -0.60 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 3krc h ALA 51 Cb 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3krc h ALA 51 CO -0.01 0.83 -0.29 0.00 0.00 0.00 0.00 179.25 179.78 3krc h GLU 53 N 0.68 0.71 -0.98 0.00 5.08 -1.40 -0.96 114.58 117.72 3krc h GLU 53 Ca 0.07 -0.44 0.18 0.00 -1.00 0.00 0.00 59.36 58.17 3krc h GLU 53 Cb 0.86 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 30.06 3krc h GLU 53 CO 0.08 1.07 0.58 1.25 -1.00 0.00 0.00 179.01 180.98 3krc h LEU 54 N 0.44 0.73 -0.87 1.33 5.85 -0.77 0.20 115.31 122.22 3krc h LEU 54 Ca 0.02 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3krc h LEU 54 Cb 1.02 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.02 3krc h LEU 54 CO 0.10 0.26 0.00 1.33 -0.34 0.00 0.00 178.44 179.79 3krc n VAL 55 N -4.79 0.03 0.00 1.05 0.24 -1.00 -4.93 118.33 108.92 3krc n VAL 55 Ca 0.22 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 3krc n VAL 55 Cb 0.55 0.36 0.00 0.00 -1.47 0.00 0.00 33.84 33.28 3krc n VAL 55 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3krc n GLY 56 N 1.14 2.02 3.76 7.63 0.00 0.71 -4.81 105.19 115.64 3krc n GLY 56 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 3krc n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3krc s GLY 57 N -1.95 1.64 0.19 -0.02 0.00 -0.38 -4.95 107.32 101.84 3krc s GLY 57 Ca 0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 44.72 44.46 3krc s GLY 57 CO 0.00 0.42 0.80 -0.35 0.00 0.00 0.00 173.10 173.97 3krc s ASP 58 N -3.55 7.38 0.33 1.64 -1.08 -1.26 -3.88 116.67 116.24 3krc s ASP 58 Ca 0.62 1.67 0.09 0.00 -0.52 0.00 0.00 52.55 54.41 3krc s ASP 58 Cb -0.17 -2.51 0.83 0.00 -1.46 0.00 0.00 42.92 39.61 3krc s ASP 58 CO 0.56 0.16 1.78 -0.09 0.52 0.00 0.00 175.17 178.10 3krc h ARG 59 N 4.11 0.65 0.00 4.34 2.43 -1.92 -1.10 114.38 122.88 3krc h ARG 59 Ca -0.47 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.65 3krc h ARG 59 Cb 1.20 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.60 3krc h ARG 59 CO 0.66 0.43 -0.06 0.77 -1.51 0.00 0.00 179.97 180.27 3krc h SER 60 N 0.67 0.00 0.20 -3.80 0.02 -1.98 -2.04 113.55 106.63 3krc h SER 60 Ca 0.58 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.53 3krc h SER 60 Cb 1.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.57 3krc h SER 60 CO -0.37 0.06 0.00 0.00 -1.14 0.00 0.00 176.83 175.38 3krc n GLN 61 N -4.44 0.12 0.00 3.45 6.02 -0.42 -1.90 117.38 120.21 3krc n GLN 61 Ca -0.03 0.54 0.00 0.00 -0.01 0.00 0.00 57.00 57.50 3krc n GLN 61 Cb 0.14 -1.84 0.00 0.00 1.02 0.00 0.00 30.24 29.56 3krc n GLN 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3krc n ALA 62 N -1.72 2.48 -0.29 -1.58 0.00 -0.79 -4.74 120.51 113.87 3krc n ALA 62 Ca -0.00 -0.48 -0.05 0.00 0.00 0.00 0.00 53.44 52.91 3krc n ALA 62 Cb 0.08 -0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.60 3krc n ALA 62 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3krc h MET 63 N 0.01 1.10 -0.67 0.00 -1.53 -1.08 -1.26 114.93 111.50 3krc h MET 63 Ca 0.00 -0.14 -0.07 0.00 -3.44 0.00 0.00 59.70 56.06 3krc h MET 63 Cb 0.00 -0.21 -0.03 0.00 -0.55 0.00 0.00 31.60 30.81 3krc h MET 63 CO 0.00 0.83 0.16 0.00 0.14 0.00 0.00 176.91 178.03 3krc h ALA 64 N 1.22 1.00 -0.43 0.39 0.00 -1.85 -0.57 119.26 119.02 3krc h ALA 64 Ca 0.27 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3krc h ALA 64 Cb 0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3krc h ALA 64 CO -0.04 0.65 0.12 0.00 0.00 0.00 0.00 179.25 179.97 3krc h ALA 65 N 1.14 0.56 -0.52 0.00 0.00 -1.81 -0.26 119.26 118.38 3krc h ALA 65 Ca 0.21 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3krc h ALA 65 Cb 0.37 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3krc h ALA 65 CO 0.00 0.23 0.13 0.00 0.00 0.00 0.00 179.25 179.61 3krc h ALA 66 N 0.97 0.68 -0.57 0.00 0.00 -0.96 -0.19 119.26 119.20 3krc h ALA 66 Ca 0.14 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3krc h ALA 66 Cb 0.29 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3krc h ALA 66 CO -0.00 0.37 0.34 0.00 0.00 0.00 0.00 179.25 179.96 3krc h ALA 67 N 1.00 0.73 -0.54 0.00 0.00 -0.80 -1.60 119.26 118.05 3krc h ALA 67 Ca 0.16 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.15 3krc h ALA 67 Cb 0.33 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 3krc h ALA 67 CO 0.00 0.06 0.17 0.00 0.00 0.00 0.00 179.25 179.47 3krc h ALA 68 N 1.26 0.65 -0.93 0.00 0.00 -0.55 0.14 119.26 119.83 3krc h ALA 68 Ca 0.23 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 3krc h ALA 68 Cb 0.04 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3krc h ALA 68 CO -0.11 -0.24 0.57 0.82 0.00 0.00 0.00 179.25 180.29 3krc h ILE 69 N 0.33 1.25 -0.05 0.00 2.04 -0.54 0.91 117.51 121.44 3krc h ILE 69 Ca 0.27 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 3krc h ILE 69 Cb 0.33 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 3krc h ILE 69 CO -0.30 0.26 0.01 -0.74 0.00 0.00 0.00 178.15 177.38 3krc h HIS 70 N 1.27 0.09 -0.61 1.37 2.76 -0.13 -0.75 115.15 119.16 3krc h HIS 70 Ca 0.33 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.57 3krc h HIS 70 Cb -0.07 -0.03 -0.06 0.00 1.55 0.00 0.00 27.41 28.80 3krc h HIS 70 CO 0.00 0.32 0.28 -0.07 -1.30 0.00 0.00 177.93 177.16 3krc h LEU 71 N -0.16 0.34 -0.32 0.26 3.38 -0.41 0.84 115.31 119.24 3krc h LEU 71 Ca 0.02 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3krc h LEU 71 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3krc h LEU 71 CO 0.00 0.21 0.15 0.58 0.09 0.00 0.00 178.44 179.47 3krc h VAL 72 N 0.50 1.16 -0.23 1.22 2.07 -0.67 0.56 116.25 120.87 3krc h VAL 72 Ca 0.29 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 67.34 3krc h VAL 72 Cb 0.29 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3krc h VAL 72 CO -0.25 0.17 0.13 -0.74 0.02 0.00 0.00 177.57 176.91 3krc h HIS 73 N 0.38 0.25 -0.55 1.57 -0.00 -0.67 -0.86 115.15 115.27 3krc h HIS 73 Ca 0.11 0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.50 3krc h HIS 73 Cb 0.14 -0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 27.43 3krc h HIS 73 CO -0.01 0.15 0.34 0.00 -0.00 0.00 0.00 177.93 178.41 3krc h ALA 74 N 1.09 0.70 -0.64 5.26 0.00 0.10 0.12 119.26 125.90 3krc h ALA 74 Ca 0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3krc h ALA 74 Cb -0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3krc h ALA 74 CO -0.04 0.08 0.38 0.00 0.00 0.00 0.00 179.25 179.68 3krc h ALA 75 N 1.23 0.81 -0.61 0.00 0.00 0.45 -1.25 119.26 119.90 3krc h ALA 75 Ca 0.21 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3krc h ALA 75 Cb -0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3krc h ALA 75 CO -0.08 0.29 0.10 0.00 0.00 0.00 0.00 179.25 179.56 3krc h ALA 76 N 1.20 1.03 -0.25 0.00 0.00 -0.23 -1.39 119.26 119.62 3krc h ALA 76 Ca 0.23 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3krc h ALA 76 Cb -0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3krc h ALA 76 CO -0.04 0.62 0.16 -0.92 0.00 0.00 0.00 179.25 179.07 3krc h TYR 77 N 0.93 0.32 -0.05 0.00 3.20 -0.50 0.23 116.97 121.10 3krc h TYR 77 Ca 0.19 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 3krc h TYR 77 Cb 0.40 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 3krc h TYR 77 CO 0.03 0.23 0.03 0.28 -1.64 0.00 0.00 178.16 177.08 3krc h VAL 78 N 0.32 1.06 -0.24 1.81 2.07 -0.98 -2.94 116.25 117.35 3krc h VAL 78 Ca 0.09 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 3krc h VAL 78 Cb -0.01 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3krc h VAL 78 CO -0.02 0.05 -0.10 0.45 0.02 0.00 0.00 177.57 177.97 3krc h HIS 79 N 0.01 0.41 0.00 1.57 3.86 -0.98 -2.39 115.15 117.63 3krc h HIS 79 Ca 0.02 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 3krc h HIS 79 Cb 0.06 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.41 3krc h HIS 79 CO -0.05 0.48 0.00 1.05 0.86 0.00 0.00 177.93 180.27 3krc h GLU 80 N 0.37 0.00 -0.35 2.45 4.11 -0.38 -3.11 114.58 117.67 3krc h GLU 80 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 3krc h GLU 80 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3krc h GLU 80 CO 0.02 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.82 3krc n HIS 81 N -2.50 0.74 -1.87 2.06 8.25 -0.91 -4.91 115.22 116.09 3krc n HIS 81 Ca 0.02 -0.65 -0.42 0.00 -0.26 0.00 0.00 57.72 56.41 3krc n HIS 81 Cb 0.26 -0.15 -0.02 0.00 1.12 0.00 0.00 29.99 31.20 3krc n HIS 81 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3krc s LEU 82 N -1.76 4.37 -0.60 2.41 1.43 -1.18 -4.92 118.68 118.43 3krc s LEU 82 Ca 0.33 2.78 -0.27 0.00 -1.03 0.00 0.00 54.13 55.94 3krc s LEU 82 Cb 0.22 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.83 3krc s LEU 82 CO 0.14 -0.85 1.58 -2.16 0.23 0.00 0.00 176.35 175.29 3krc s PRO 83 N 0.21 3.03 0.54 1.29 0.04 -1.26 -4.98 135.00 133.87 3krc s PRO 83 Ca 0.66 0.43 -0.10 0.00 0.04 0.00 0.00 61.00 62.03 3krc s PRO 83 Cb -0.46 -4.24 -0.05 0.00 0.04 0.00 0.00 34.50 29.80 3krc s PRO 83 CO 0.40 -2.27 0.92 -0.51 0.04 0.00 0.00 177.00 175.57 3krc s LEU 84 N 7.17 3.47 -0.10 -3.56 1.43 -1.26 -4.98 118.68 120.84 3krc s LEU 84 Ca 0.56 1.25 0.14 0.00 -1.03 0.00 0.00 54.13 55.05 3krc s LEU 84 Cb -0.12 -4.24 0.43 0.00 0.03 0.00 0.00 46.19 42.30 3krc s LEU 84 CO 0.22 -0.69 1.35 0.35 0.23 0.00 0.00 176.35 177.80 3krc n THR 85 N -2.28 1.75 -0.54 5.49 -2.24 -1.26 -4.61 114.28 110.59 3krc n THR 85 Ca 0.04 -1.52 0.00 0.00 -2.27 0.00 0.00 64.05 60.30 3krc n THR 85 Cb 0.54 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 3krc n THR 85 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3krc n ASP 86 N -0.12 0.86 -2.46 3.42 5.75 -1.26 -5.03 116.55 117.71 3krc n ASP 86 Ca 0.17 -1.40 -0.18 0.00 -0.01 0.00 0.00 54.79 53.36 3krc n ASP 86 Cb 0.70 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.81 3krc n ASP 86 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3krc n GLY 87 N -0.20 -0.30 0.15 6.12 0.00 -1.26 -4.93 105.19 104.76 3krc n GLY 87 Ca 0.00 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.10 3krc n GLY 87 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3krc n SER 88 N -1.70 0.91 -3.68 1.61 3.41 -1.26 -4.76 113.62 108.14 3krc n SER 88 Ca -0.10 -0.71 -0.21 0.00 -0.26 0.00 0.00 58.87 57.59 3krc n SER 88 Cb 0.60 0.28 -0.18 0.00 -0.26 0.00 0.00 64.21 64.66 3krc n SER 88 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3krc s ARG 89 N -2.73 0.05 0.30 4.33 3.52 -1.26 -5.09 118.95 118.06 3krc s ARG 89 Ca 0.17 0.30 -0.29 0.00 -0.13 0.00 0.00 55.73 55.78 3krc s ARG 89 Cb 0.18 -0.68 -0.11 0.00 -1.56 0.00 0.00 34.95 32.78 3krc s ARG 89 CO 0.62 -0.35 1.48 -1.25 -0.81 0.00 0.00 175.30 175.00 3krc s PRO 90 N 2.13 4.20 0.20 5.12 0.04 -1.26 -4.91 135.00 140.51 3krc s PRO 90 Ca 0.05 2.44 -0.30 0.00 0.04 0.00 0.00 61.00 63.22 3krc s PRO 90 Cb -0.12 -3.05 -0.09 0.00 0.04 0.00 0.00 34.50 31.28 3krc s PRO 90 CO -0.04 -0.49 1.28 0.08 0.04 0.00 0.00 177.00 177.88 3krc s VAL 91 N -0.36 3.29 0.21 -0.36 1.01 -1.26 -4.95 120.40 117.98 3krc s VAL 91 Ca 0.58 1.07 -0.31 0.00 0.00 0.00 0.00 61.98 63.32 3krc s VAL 91 Cb -0.44 -3.68 -0.15 0.00 0.00 0.00 0.00 36.38 32.10 3krc s VAL 91 CO 0.50 0.16 1.09 -1.54 0.00 0.00 0.00 175.10 175.31 3krc n SER 92 N 2.59 1.21 -0.11 3.32 3.41 -1.26 -4.87 113.62 117.91 3krc n SER 92 Ca 0.06 1.15 -0.10 0.00 -0.26 0.00 0.00 58.87 59.72 3krc n SER 92 Cb 0.43 -1.23 -0.05 0.00 -0.26 0.00 0.00 64.21 63.11 3krc n SER 92 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3krc h LYS 93 N 2.84 -0.34 -4.34 4.33 3.64 -2.04 -2.25 116.57 118.41 3krc h LYS 93 Ca -0.41 0.02 -0.76 0.00 -1.27 0.00 0.00 60.65 58.23 3krc h LYS 93 Cb 1.35 0.08 -0.21 0.00 -0.41 0.00 0.00 32.23 33.03 3krc h LYS 93 CO 0.67 -0.23 1.01 -2.14 -2.27 0.00 0.00 179.45 176.49 3krc s PRO 94 N -5.86 4.11 -0.27 1.90 0.02 -1.26 -4.98 135.00 128.66 3krc s PRO 94 Ca -0.15 -2.77 -0.36 0.00 0.02 0.00 0.00 61.00 57.74 3krc s PRO 94 Cb 0.11 -4.88 -0.12 0.00 0.02 0.00 0.00 34.50 29.64 3krc s PRO 94 CO 0.65 -1.58 2.03 0.00 -0.33 0.00 0.00 177.00 177.77 3krc n ALA 95 N 4.65 0.79 -1.18 -1.55 0.00 -0.85 -4.90 120.51 117.47 3krc n ALA 95 Ca 0.32 0.11 -0.31 0.00 0.00 0.00 0.00 53.44 53.56 3krc n ALA 95 Cb 0.42 -2.48 0.11 0.00 0.00 0.00 0.00 19.45 17.50 3krc n ALA 95 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3krc s ILE 96 N 5.83 3.05 0.08 0.00 -4.36 -1.26 -5.01 121.20 119.52 3krc s ILE 96 Ca 1.03 0.34 -0.24 0.00 -0.26 0.00 0.00 60.65 61.52 3krc s ILE 96 Cb -0.85 -2.77 -0.06 0.00 1.25 0.00 0.00 42.46 40.03 3krc s ILE 96 CO 0.53 -0.44 0.75 -1.10 0.24 0.00 0.00 174.94 174.91 3krc s GLN 97 N -4.88 4.49 -0.13 0.37 -1.52 -1.26 -5.07 119.66 111.66 3krc s GLN 97 Ca 0.62 1.05 -0.02 0.00 -1.95 0.00 0.00 55.36 55.07 3krc s GLN 97 Cb -0.18 -3.32 -0.02 0.00 -0.22 0.00 0.00 33.01 29.26 3krc s GLN 97 CO 0.57 0.40 -0.07 -1.01 -0.25 0.00 0.00 175.29 174.92 3krc s HIS 98 N -0.45 2.94 -0.18 0.91 3.76 -1.26 -4.99 115.29 116.02 3krc s HIS 98 Ca 0.37 -0.34 -0.16 0.00 -0.15 0.00 0.00 55.06 54.78 3krc s HIS 98 Cb -0.21 -1.88 -0.12 0.00 1.11 0.00 0.00 32.58 31.48 3krc s HIS 98 CO 0.23 -0.02 0.01 1.17 -0.85 0.00 0.00 174.74 175.29 3krc n LYS 99 N 3.28 0.52 -2.75 1.40 4.81 -1.26 -4.94 118.16 119.22 3krc n LYS 99 Ca -0.18 0.53 -0.25 0.00 -0.87 0.00 0.00 58.31 57.55 3krc n LYS 99 Cb 0.53 -1.71 0.02 0.00 0.02 0.00 0.00 35.03 33.89 3krc n LYS 99 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3krc s TYR 100 N -2.34 3.30 0.86 5.64 2.02 -1.26 -5.09 117.35 120.48 3krc s TYR 100 Ca -0.24 0.47 -0.13 0.00 -0.37 0.00 0.00 57.07 56.80 3krc s TYR 100 Cb 0.05 -2.44 0.11 0.00 -0.40 0.00 0.00 41.96 39.28 3krc s TYR 100 CO 0.43 -0.48 1.18 0.20 -1.57 0.00 0.00 175.55 175.31 3krc s GLY 101 N -4.22 1.60 0.21 0.71 0.00 -1.26 -4.80 107.32 99.56 3krc s GLY 101 Ca 0.50 -0.68 -0.11 0.00 0.00 0.00 0.00 44.72 44.43 3krc s GLY 101 CO 0.41 -0.14 1.66 -2.55 0.00 0.00 0.00 173.10 172.49 3krc h PRO 102 N -1.25 0.10 -0.90 2.90 0.11 -1.98 -1.89 132.00 129.09 3krc h PRO 102 Ca -0.47 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.71 3krc h PRO 102 Cb 1.32 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.34 3krc h PRO 102 CO 0.62 0.07 0.56 -2.95 -0.21 0.00 0.00 178.00 176.09 3krc h ASN 103 N 0.11 0.86 -0.15 -2.05 7.08 -1.99 0.54 115.58 119.98 3krc h ASN 103 Ca 0.33 0.03 -0.20 0.00 -3.08 0.00 0.00 56.30 53.37 3krc h ASN 103 Cb 0.53 -0.15 0.00 0.00 -2.08 0.00 0.00 38.32 36.62 3krc h ASN 103 CO -0.55 0.53 -0.66 0.58 -2.08 0.00 0.00 177.43 175.25 3krc h VAL 104 N 0.99 1.29 -0.21 6.14 2.07 -1.77 -1.35 116.25 123.41 3krc h VAL 104 Ca 0.41 -1.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.03 3krc h VAL 104 Cb 0.25 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 3krc h VAL 104 CO -0.20 0.60 0.03 -0.33 0.02 0.00 0.00 177.57 177.69 3krc h GLU 105 N 0.56 0.34 0.29 1.57 5.08 -0.82 -0.20 114.58 121.40 3krc h GLU 105 Ca -0.02 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3krc h GLU 105 Cb 1.27 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 3krc h GLU 105 CO 0.14 0.49 -0.24 1.25 -1.00 0.00 0.00 179.01 179.65 3krc h LEU 106 N 0.14 -0.64 -0.61 1.33 5.85 0.25 -1.21 115.31 120.42 3krc h LEU 106 Ca 0.06 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.86 3krc h LEU 106 Cb 0.32 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 3krc h LEU 106 CO 0.00 -0.37 0.39 -0.07 -0.34 0.00 0.00 178.44 178.05 3krc h LEU 107 N -0.55 0.65 -0.87 2.25 3.38 -1.24 -2.52 115.31 116.40 3krc h LEU 107 Ca -0.02 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.95 3krc h LEU 107 Cb 0.49 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 3krc h LEU 107 CO -0.03 0.46 0.57 0.74 0.09 0.00 0.00 178.44 180.27 3krc h THR 108 N 0.77 1.23 -0.74 0.22 2.02 -0.88 0.84 112.91 116.37 3krc h THR 108 Ca 0.23 -0.42 0.04 0.00 0.77 0.00 0.00 66.41 67.03 3krc h THR 108 Cb -0.03 -0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 66.28 3krc h THR 108 CO -0.08 0.22 0.46 1.23 0.37 0.00 0.00 175.52 177.72 3krc h GLY 109 N 1.19 1.07 2.00 2.16 0.00 -0.82 0.70 103.07 109.38 3krc h GLY 109 Ca 0.32 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 3krc h GLY 109 CO -0.07 0.28 -0.16 -0.55 0.00 0.00 0.00 176.54 176.04 3krc h ASP 110 N 0.89 0.00 0.91 0.19 3.32 -0.70 -2.79 116.42 118.24 3krc h ASP 110 Ca 0.30 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.17 3krc h ASP 110 Cb 0.04 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 3krc h ASP 110 CO -0.12 0.16 -1.17 1.23 -1.72 0.00 0.00 179.24 177.62 3krc h GLY 111 N 1.03 0.00 1.18 2.75 0.00 0.66 -3.38 103.07 105.32 3krc h GLY 111 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.05 3krc h GLY 111 CO 0.02 0.00 -1.15 -2.22 0.00 0.00 0.00 176.54 173.19 3krc h ILE 112 N 0.00 1.29 -0.17 2.60 2.04 -0.67 -3.05 117.51 119.55 3krc h ILE 112 Ca -0.12 -2.38 0.02 0.00 1.00 0.00 0.00 64.86 63.38 3krc h ILE 112 Cb 1.66 2.63 -0.02 0.00 -0.74 0.00 0.00 36.82 40.34 3krc h ILE 112 CO 0.07 0.73 0.03 0.58 0.00 0.00 0.00 178.15 179.56 3krc h VAL 113 N 0.26 0.93 0.00 1.67 2.07 -1.70 -1.07 116.25 118.41 3krc h VAL 113 Ca -0.17 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3krc h VAL 113 Cb 1.82 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 3krc h VAL 113 CO 0.22 0.02 -0.07 1.55 0.02 0.00 0.00 177.57 179.31 3krc h PRO 114 N 0.11 0.00 -0.77 1.57 0.13 -1.73 -1.93 132.00 129.37 3krc h PRO 114 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3krc h PRO 114 Cb 0.07 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.16 3krc h PRO 114 CO -0.10 0.07 0.49 0.35 -0.23 0.00 0.00 178.00 178.57 3krc h PHE 115 N 0.00 1.00 -0.19 1.56 3.04 -1.09 0.22 116.94 121.48 3krc h PHE 115 Ca -0.00 0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.00 3krc h PHE 115 Cb 0.40 -0.33 -0.04 0.00 2.56 0.00 0.00 35.95 38.53 3krc h PHE 115 CO 0.00 0.65 -0.09 0.78 -2.02 0.00 0.00 178.31 177.63 3krc h GLY 116 N 1.07 0.08 1.77 2.40 0.00 -0.96 0.93 103.07 108.37 3krc h GLY 116 Ca 0.28 0.11 -0.12 0.00 0.00 0.00 0.00 47.33 47.60 3krc h GLY 116 CO -0.06 -0.11 -0.45 0.74 0.00 0.00 0.00 176.54 176.67 3krc h PHE 117 N -0.06 0.30 -0.29 5.60 0.04 -1.45 -1.07 116.94 120.01 3krc h PHE 117 Ca 0.10 -0.09 -0.03 0.00 2.80 0.00 0.00 57.97 60.75 3krc h PHE 117 Cb 0.21 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 3krc h PHE 117 CO -0.24 0.66 0.07 1.49 -0.60 0.00 0.00 178.31 179.68 3krc h GLU 118 N 0.21 0.47 -0.27 1.51 4.81 -0.09 -0.85 114.58 120.37 3krc h GLU 118 Ca 0.01 -0.12 0.04 0.00 -0.13 0.00 0.00 59.36 59.16 3krc h GLU 118 Cb 0.87 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.16 3krc h GLU 118 CO 0.07 0.56 0.06 -0.07 -0.73 0.00 0.00 179.01 178.90 3krc h LEU 119 N 0.31 0.02 0.71 1.64 3.38 -0.25 0.84 115.31 121.96 3krc h LEU 119 Ca 0.09 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 3krc h LEU 119 Cb 0.30 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 3krc h LEU 119 CO 0.00 0.05 -0.45 -0.07 0.09 0.00 0.00 178.44 178.06 3krc h LEU 120 N 0.16 -1.13 -0.96 1.67 3.38 -1.07 0.13 115.31 117.49 3krc h LEU 120 Ca 0.13 0.06 0.18 0.00 0.09 0.00 0.00 57.88 58.34 3krc h LEU 120 Cb 0.13 0.33 -0.11 0.00 0.09 0.00 0.00 40.66 41.10 3krc h LEU 120 CO -0.16 -0.68 0.56 0.00 0.09 0.00 0.00 178.44 178.24 3krc h ALA 121 N -0.92 1.57 0.00 1.53 0.00 -1.10 0.95 119.26 121.28 3krc h ALA 121 Ca -0.09 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3krc h ALA 121 Cb 0.88 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3krc h ALA 121 CO 0.09 -0.08 -0.26 0.78 0.00 0.00 0.00 179.25 179.77 3krc h GLY 122 N 0.70 0.00 1.07 0.00 0.00 -0.32 -3.02 103.07 101.50 3krc h GLY 122 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.88 3krc h GLY 122 CO -0.39 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.01 3krc n SER 123 N -3.44 0.00 -4.69 0.19 3.41 0.41 -4.79 113.62 104.72 3krc n SER 123 Ca -0.00 -0.78 -0.42 0.00 -0.26 0.00 0.00 58.87 57.41 3krc n SER 123 Cb 0.45 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.33 3krc n SER 123 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3krc s VAL 124 N -2.07 2.79 -0.40 -3.33 1.01 -1.14 -4.94 120.40 112.32 3krc s VAL 124 Ca 0.40 0.24 -0.16 0.00 0.00 0.00 0.00 61.98 62.46 3krc s VAL 124 Cb 0.19 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 33.43 3krc s VAL 124 CO 0.33 -0.00 0.35 -0.62 0.00 0.00 0.00 175.10 175.16 3krc s ASP 125 N 2.73 6.14 0.14 3.32 -1.08 -1.26 -4.93 116.67 121.73 3krc s ASP 125 Ca 0.78 -0.68 0.07 0.00 -0.52 0.00 0.00 52.55 52.21 3krc s ASP 125 Cb -0.43 -2.19 0.39 0.00 -1.46 0.00 0.00 42.92 39.23 3krc s ASP 125 CO 0.35 -0.46 1.12 -0.81 0.52 0.00 0.00 175.17 175.89 3krc n PRO 126 N 5.34 0.05 0.00 4.34 -0.04 -1.26 -0.85 135.00 142.58 3krc n PRO 126 Ca -0.10 0.47 0.14 0.00 -0.04 0.00 0.00 63.50 63.97 3krc n PRO 126 Cb 0.48 -1.81 0.43 0.00 -0.04 0.00 0.00 33.50 32.56 3krc n PRO 126 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3krc n ALA 127 N -1.49 2.65 -3.85 0.55 0.00 -1.26 -4.74 120.51 112.37 3krc n ALA 127 Ca -0.00 -0.48 -0.34 0.00 0.00 0.00 0.00 53.44 52.62 3krc n ALA 127 Cb 0.16 -1.10 -0.15 0.00 0.00 0.00 0.00 19.45 18.36 3krc n ALA 127 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3krc s ARG 128 N -2.08 2.91 0.41 0.00 1.81 -0.03 -5.02 118.95 116.95 3krc s ARG 128 Ca 0.34 -0.91 0.21 0.00 -1.72 0.00 0.00 55.73 53.65 3krc s ARG 128 Cb 0.21 -2.84 0.85 0.00 -0.45 0.00 0.00 34.95 32.71 3krc s ARG 128 CO 0.36 -0.32 1.81 1.79 -0.68 0.00 0.00 175.30 178.26 3krc h THR 129 N 6.07 0.78 -0.00 0.02 1.35 -1.85 -3.19 112.91 116.09 3krc h THR 129 Ca -0.37 -1.26 0.00 0.00 -0.55 0.00 0.00 66.41 64.23 3krc h THR 129 Cb 1.12 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 3krc h THR 129 CO 0.59 0.29 -0.35 0.47 -0.25 0.00 0.00 175.52 176.27 3krc n ASP 130 N -3.55 0.59 0.05 5.36 8.00 -1.26 -4.46 116.55 121.28 3krc n ASP 130 Ca -0.00 -0.39 -0.11 0.00 0.71 0.00 0.00 54.79 55.00 3krc n ASP 130 Cb 0.44 0.12 -0.04 0.00 -0.02 0.00 0.00 41.12 41.62 3krc n ASP 130 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3krc h ASP 131 N 0.38 -0.59 -0.68 -2.24 5.19 -1.89 -3.08 116.42 113.51 3krc h ASP 131 Ca 0.00 0.09 0.10 0.00 -0.62 0.00 0.00 57.03 56.60 3krc h ASP 131 Cb 0.49 0.25 -0.07 0.00 0.18 0.00 0.00 39.33 40.17 3krc h ASP 131 CO 0.00 -0.26 0.31 -0.65 -3.12 0.00 0.00 179.24 175.51 3krc h PRO 132 N -0.31 0.50 -0.62 3.56 0.11 -1.82 0.19 132.00 133.61 3krc h PRO 132 Ca 0.06 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.05 3krc h PRO 132 Cb 0.40 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.37 3krc h PRO 132 CO -0.20 0.33 0.03 -0.44 -0.21 0.00 0.00 178.00 177.51 3krc h ASP 133 N 0.52 1.04 0.05 -2.05 3.32 -1.85 -0.17 116.42 117.28 3krc h ASP 133 Ca 0.34 -0.28 -0.20 0.00 0.02 0.00 0.00 57.03 56.91 3krc h ASP 133 Cb 0.40 -0.28 0.02 0.00 0.22 0.00 0.00 39.33 39.69 3krc h ASP 133 CO -0.30 1.08 -0.82 0.03 -1.72 0.00 0.00 179.24 177.51 3krc h ARG 134 N 0.99 0.46 0.02 3.56 3.08 -1.37 -1.87 114.38 119.25 3krc h ARG 134 Ca 0.18 -0.57 -0.00 0.00 0.07 0.00 0.00 59.98 59.66 3krc h ARG 134 Cb 0.52 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.75 3krc h ARG 134 CO 0.03 1.21 -0.01 0.82 -1.07 0.00 0.00 179.97 180.95 3krc h ILE 135 N -0.03 1.05 -0.48 2.04 1.08 -0.61 -1.12 117.51 119.44 3krc h ILE 135 Ca -0.12 -0.22 0.10 0.00 -0.39 0.00 0.00 64.86 64.23 3krc h ILE 135 Cb 1.54 1.20 -0.10 0.00 -3.07 0.00 0.00 36.82 36.39 3krc h ILE 135 CO 0.16 0.06 -0.21 0.25 -0.69 0.00 0.00 178.15 177.72 3krc h LEU 136 N -0.12 -0.72 -0.61 1.44 5.85 -1.07 0.18 115.31 120.26 3krc h LEU 136 Ca -0.00 0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.95 3krc h LEU 136 Cb 0.11 0.40 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 3krc h LEU 136 CO 0.00 -0.24 0.31 -0.09 -0.34 0.00 0.00 178.44 178.09 3krc h ARG 137 N -0.10 0.56 -0.13 1.25 2.43 -1.07 -1.58 114.38 115.73 3krc h ARG 137 Ca 0.23 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.25 3krc h ARG 137 Cb 0.45 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3krc h ARG 137 CO -0.54 0.37 -0.40 0.28 -1.51 0.00 0.00 179.97 178.16 3krc h VAL 138 N 0.57 1.31 -0.40 0.20 2.07 -0.19 -0.98 116.25 118.83 3krc h VAL 138 Ca 0.28 -1.50 -0.09 0.00 0.82 0.00 0.00 66.70 66.21 3krc h VAL 138 Cb 0.22 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 3krc h VAL 138 CO -0.20 0.45 -0.12 0.40 0.02 0.00 0.00 177.57 178.12 3krc h ILE 139 N 0.23 1.25 -0.41 4.57 2.04 0.03 -1.77 117.51 123.46 3krc h ILE 139 Ca 0.02 -1.15 -0.09 0.00 1.00 0.00 0.00 64.86 64.65 3krc h ILE 139 Cb 0.81 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 3krc h ILE 139 CO 0.06 0.39 -0.10 0.40 0.00 0.00 0.00 178.15 178.90 3krc h ILE 140 N 0.65 1.28 -0.08 -0.67 2.04 -0.57 -2.28 117.51 117.87 3krc h ILE 140 Ca 0.11 -1.20 0.01 0.00 1.00 0.00 0.00 64.86 64.78 3krc h ILE 140 Cb 0.57 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 3krc h ILE 140 CO 0.04 0.40 0.02 -0.33 0.00 0.00 0.00 178.15 178.28 3krc h GLU 141 N 0.60 0.06 -0.27 2.37 4.39 -0.92 -1.52 114.58 119.29 3krc h GLU 141 Ca 0.10 -0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.74 3krc h GLU 141 Cb 0.63 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 3krc h GLU 141 CO 0.04 0.04 -0.05 0.82 -1.16 0.00 0.00 179.01 178.70 3krc h ILE 142 N 0.06 1.28 -0.28 3.13 2.04 -1.32 -0.78 117.51 121.64 3krc h ILE 142 Ca 0.04 -1.05 -0.05 0.00 1.00 0.00 0.00 64.86 64.80 3krc h ILE 142 Cb 0.02 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 3krc h ILE 142 CO -0.04 0.33 -0.03 0.77 0.00 0.00 0.00 178.15 179.17 3krc h SER 143 N 0.28 0.41 -0.04 1.72 4.64 -1.44 0.46 113.55 119.57 3krc h SER 143 Ca 0.07 -0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 3krc h SER 143 Cb 0.51 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3krc h SER 143 CO 0.02 0.50 -0.06 0.03 -0.87 0.00 0.00 176.83 176.46 3krc h ARG 144 N 0.42 0.12 -0.19 4.77 3.08 -1.02 -1.42 114.38 120.13 3krc h ARG 144 Ca 0.09 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 3krc h ARG 144 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3krc h ARG 144 CO 0.01 0.60 -0.05 0.00 -1.07 0.00 0.00 179.97 179.47 3krc h ALA 145 N 0.51 1.57 -0.08 0.04 0.00 -0.88 0.38 119.26 120.81 3krc h ALA 145 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3krc h ALA 145 Cb 0.59 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3krc h ALA 145 CO 0.01 0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.99 3krc n GLY 146 N -1.03 0.34 0.00 0.00 0.00 0.13 -0.48 105.19 104.16 3krc n GLY 146 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3krc n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krc n GLY 147 N 1.21 -0.39 0.27 -0.02 0.00 0.12 -4.45 105.19 101.94 3krc n GLY 147 Ca 0.18 -1.74 0.12 0.00 0.00 0.00 0.00 46.02 44.57 3krc n GLY 147 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3krc h PRO 148 N 0.00 0.00 -0.50 1.61 0.13 -1.87 -2.27 132.00 129.10 3krc h PRO 148 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3krc h PRO 148 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3krc h PRO 148 CO 0.00 0.06 0.00 0.39 -0.23 0.00 0.00 178.00 178.22 3krc n GLU 149 N -3.91 2.99 0.00 0.86 1.02 -1.26 -3.28 120.64 117.06 3krc n GLU 149 Ca -0.03 -2.45 0.00 0.00 -0.02 0.00 0.00 57.16 54.66 3krc n GLU 149 Cb 0.16 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 3krc n GLU 149 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3krc n GLY 150 N 0.86 1.48 0.35 0.62 0.00 -0.87 -4.83 105.19 102.79 3krc n GLY 150 Ca 0.19 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.26 3krc n GLY 150 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3krc h MET 151 N 0.00 0.95 -0.56 1.61 1.85 -0.72 -1.76 114.93 116.29 3krc h MET 151 Ca 0.00 -0.06 -0.03 0.00 -0.61 0.00 0.00 59.70 59.00 3krc h MET 151 Cb 0.00 -0.21 -0.03 0.00 0.43 0.00 0.00 31.60 31.79 3krc h MET 151 CO 0.00 0.63 0.23 0.82 -0.40 0.00 0.00 176.91 178.18 3krc h ILE 152 N 0.97 1.20 -0.43 1.77 2.04 -1.73 0.90 117.51 122.24 3krc h ILE 152 Ca 0.46 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 3krc h ILE 152 Cb 0.39 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 3krc h ILE 152 CO -0.24 0.25 0.19 0.28 0.00 0.00 0.00 178.15 178.63 3krc h SER 153 N 0.81 0.57 -0.25 1.72 0.02 -1.30 0.68 113.55 115.79 3krc h SER 153 Ca 0.19 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 3krc h SER 153 Cb 0.16 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 3krc h SER 153 CO -0.02 0.56 0.09 1.23 -1.14 0.00 0.00 176.83 177.55 3krc h GLY 154 N 0.55 0.41 0.36 -3.77 0.00 -1.16 -1.13 103.07 98.33 3krc h GLY 154 Ca 0.15 -0.23 0.12 0.00 0.00 0.00 0.00 47.33 47.36 3krc h GLY 154 CO -0.02 0.22 0.39 1.41 0.00 0.00 0.00 176.54 178.55 3krc h LEU 155 N 0.25 0.50 0.13 3.11 3.38 -0.76 0.35 115.31 122.27 3krc h LEU 155 Ca 0.08 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3krc h LEU 155 Cb 0.20 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3krc h LEU 155 CO -0.01 0.25 -0.06 -0.74 0.09 0.00 0.00 178.44 177.97 3krc h HIS 156 N 0.62 -0.16 -0.02 1.13 2.76 -0.64 -3.22 115.15 115.62 3krc h HIS 156 Ca 0.40 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.52 3krc h HIS 156 Cb 0.49 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.50 3krc h HIS 156 CO -0.10 0.25 -0.21 0.00 -1.30 0.00 0.00 177.93 176.57 3krc h ARG 157 N -0.64 0.04 -0.64 5.26 2.47 -0.96 -2.65 114.38 117.25 3krc h ARG 157 Ca -0.02 -0.01 0.14 0.00 -1.26 0.00 0.00 59.98 58.83 3krc h ARG 157 Cb 0.49 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.77 3krc h ARG 157 CO 0.03 0.25 0.44 1.49 0.56 0.00 0.00 179.97 182.74 3krc h GLU 158 N 0.04 0.28 0.00 0.04 4.81 -0.30 0.50 114.58 119.95 3krc h GLU 158 Ca 0.01 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3krc h GLU 158 Cb 0.39 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3krc h GLU 158 CO 0.03 0.19 0.00 0.39 -0.73 0.00 0.00 179.01 178.88 3krc n GLU 159 N -4.45 0.14 0.01 1.92 1.02 -1.00 -1.50 120.64 116.78 3krc n GLU 159 Ca 0.12 0.20 0.11 0.00 -0.02 0.00 0.00 57.16 57.57 3krc n GLU 159 Cb 0.51 -1.50 0.14 0.00 -0.02 0.00 0.00 31.44 30.56 3krc n GLU 159 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3krc n GLU 160 N -1.34 0.05 -2.31 3.49 1.02 0.17 -4.88 120.64 116.85 3krc n GLU 160 Ca 0.05 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.77 3krc n GLU 160 Cb 0.11 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 29.98 3krc n GLU 160 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3krc s ILE 161 N -3.04 4.02 -0.33 -3.67 1.01 -0.56 -5.00 121.20 113.62 3krc s ILE 161 Ca 0.09 1.30 -0.10 0.00 0.00 0.00 0.00 60.65 61.94 3krc s ILE 161 Cb 0.17 -3.84 0.01 0.00 0.01 0.00 0.00 42.46 38.81 3krc s ILE 161 CO 0.75 -0.06 0.17 -0.69 0.00 0.00 0.00 174.94 175.10 3krc s VAL 162 N 3.07 4.52 -0.12 2.92 1.01 -1.26 -5.04 120.40 125.49 3krc s VAL 162 Ca 0.60 -0.63 -0.41 0.00 0.00 0.00 0.00 61.98 61.54 3krc s VAL 162 Cb -0.27 -3.40 -0.20 0.00 0.00 0.00 0.00 36.38 32.52 3krc s VAL 162 CO 0.21 -0.05 1.23 0.47 0.00 0.00 0.00 175.10 176.96 3krc n ASP 163 N 4.97 0.43 -3.41 3.32 10.43 -1.26 -1.88 116.55 129.15 3krc n ASP 163 Ca -0.13 1.16 -0.17 0.00 2.57 0.00 0.00 54.79 58.22 3krc n ASP 163 Cb 0.48 -0.93 0.03 0.00 1.84 0.00 0.00 41.12 42.54 3krc n ASP 163 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3krc n GLY 164 N 2.22 -1.15 0.00 0.44 0.00 -1.26 -4.84 105.19 100.60 3krc n GLY 164 Ca 0.23 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.76 3krc n GLY 164 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3krc n ASN 165 N -2.51 0.00 -4.35 1.61 5.15 -0.79 -5.14 115.26 109.23 3krc n ASN 165 Ca -0.09 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.57 3krc n ASN 165 Cb 0.58 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.68 3krc n ASN 165 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3krc s THR 166 N 0.00 2.33 0.68 -0.44 2.01 -1.21 -4.84 115.64 114.17 3krc s THR 166 Ca 0.00 -1.00 -0.15 0.00 0.31 0.00 0.00 61.69 60.86 3krc s THR 166 Cb 0.00 -1.84 0.01 0.00 0.01 0.00 0.00 72.50 70.68 3krc s THR 166 CO 0.00 0.58 1.12 -0.94 -0.69 0.00 0.00 174.62 174.70 3krc s SER 167 N -0.57 4.88 0.36 3.53 1.04 -1.26 -4.86 113.70 116.82 3krc s SER 167 Ca 0.08 2.05 0.04 0.00 0.48 0.00 0.00 55.95 58.60 3krc s SER 167 Cb -0.11 -2.56 0.66 0.00 0.10 0.00 0.00 66.02 64.12 3krc s SER 167 CO 0.00 -1.79 1.97 -0.07 0.98 0.00 0.00 173.24 174.33 3krc h LEU 168 N -0.13 0.60 -0.57 2.42 3.38 -1.99 -1.68 115.31 117.34 3krc h LEU 168 Ca -0.47 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 57.52 3krc h LEU 168 Cb 1.25 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.80 3krc h LEU 168 CO 0.53 0.51 0.27 0.44 0.09 0.00 0.00 178.44 180.28 3krc h ASP 169 N 0.67 0.36 -0.40 -0.43 3.32 -1.99 0.28 116.42 118.23 3krc h ASP 169 Ca 0.17 0.04 -0.11 0.00 0.02 0.00 0.00 57.03 57.15 3krc h ASP 169 Cb 0.07 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3krc h ASP 169 CO -0.02 0.24 -0.18 0.15 -1.72 0.00 0.00 179.24 177.70 3krc h PHE 170 N 0.51 0.96 -0.60 4.55 3.57 -1.83 -1.75 116.94 122.34 3krc h PHE 170 Ca 0.27 -0.23 -0.10 0.00 3.53 0.00 0.00 57.97 61.44 3krc h PHE 170 Cb 0.22 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 3krc h PHE 170 CO -0.12 1.00 0.00 0.82 -2.23 0.00 0.00 178.31 177.78 3krc h ILE 171 N 0.65 1.27 -0.42 1.41 2.04 -0.63 -1.73 117.51 120.09 3krc h ILE 171 Ca 0.09 -1.15 -0.02 0.00 1.00 0.00 0.00 64.86 64.78 3krc h ILE 171 Cb 0.73 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 3krc h ILE 171 CO 0.06 0.42 0.19 -0.08 0.00 0.00 0.00 178.15 178.73 3krc h GLU 172 N 0.96 0.62 -0.45 2.37 4.81 -0.38 -1.92 114.58 120.59 3krc h GLU 172 Ca 0.17 -0.10 0.08 0.00 -0.13 0.00 0.00 59.36 59.38 3krc h GLU 172 Cb 0.56 -0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.76 3krc h GLU 172 CO 0.03 0.55 0.01 -0.92 -0.73 0.00 0.00 179.01 177.95 3krc h TYR 173 N 0.54 -0.01 -0.71 0.92 3.20 -0.76 -0.63 116.97 119.53 3krc h TYR 173 Ca 0.14 0.03 0.09 0.00 3.14 0.00 0.00 58.73 62.14 3krc h TYR 173 Cb 0.15 0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.42 3krc h TYR 173 CO -0.01 -0.09 0.35 0.28 -1.64 0.00 0.00 178.16 177.05 3krc h VAL 174 N 0.12 0.84 -0.18 1.81 2.07 -0.86 -1.53 116.25 118.52 3krc h VAL 174 Ca 0.22 -0.20 -0.08 0.00 0.82 0.00 0.00 66.70 67.46 3krc h VAL 174 Cb 0.32 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3krc h VAL 174 CO -0.36 0.11 -0.23 0.00 0.02 0.00 0.00 177.57 177.10 3krc h LYS 176 N 0.29 0.76 0.00 0.00 3.64 -0.23 0.36 116.57 121.39 3krc h LYS 176 Ca 0.05 -0.19 -0.04 0.00 -1.27 0.00 0.00 60.65 59.20 3krc h LYS 176 Cb 0.57 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3krc h LYS 176 CO 0.04 0.76 -0.15 0.87 -2.27 0.00 0.00 179.45 178.70 3krc h LYS 177 N 0.63 0.10 -0.34 1.90 1.79 -1.00 0.58 116.57 120.23 3krc h LYS 177 Ca 0.14 -0.11 -0.13 0.00 -2.18 0.00 0.00 60.65 58.37 3krc h LYS 177 Cb 0.36 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.03 3krc h LYS 177 CO 0.01 0.88 -0.32 -0.22 -1.08 0.00 0.00 179.45 178.72 3krc h LYS 178 N -0.64 0.74 0.00 3.15 3.64 -0.39 -3.14 116.57 119.93 3krc h LYS 178 Ca -0.02 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 3krc h LYS 178 Cb 0.94 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 3krc h LYS 178 CO 0.03 0.96 -0.96 0.66 -2.27 0.00 0.00 179.45 177.87 3krc n TYR 179 N -4.07 0.00 -0.14 1.91 4.02 0.99 -4.77 117.16 115.10 3krc n TYR 179 Ca -0.01 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.85 3krc n TYR 179 Cb 0.49 0.01 0.05 0.00 -0.02 0.00 0.00 39.34 39.86 3krc n TYR 179 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3krc h GLY 180 N 0.00 0.54 0.67 2.72 0.00 -0.18 -1.99 103.07 104.83 3krc h GLY 180 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 47.33 47.39 3krc h GLY 180 CO 0.00 -0.07 0.54 0.83 0.00 0.00 0.00 176.54 177.85 3krc h GLU 181 N 0.21 0.94 -0.18 4.80 4.39 -1.06 0.49 114.58 124.16 3krc h GLU 181 Ca 0.23 -0.06 -0.18 0.00 0.34 0.00 0.00 59.36 59.68 3krc h GLU 181 Cb 0.30 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3krc h GLU 181 CO -0.31 0.62 -0.64 1.98 -1.16 0.00 0.00 179.01 179.51 3krc h MET 182 N 0.97 0.64 -0.14 2.33 4.05 -1.75 -0.99 114.93 120.04 3krc h MET 182 Ca 0.39 -0.45 -0.18 0.00 -0.28 0.00 0.00 59.70 59.18 3krc h MET 182 Cb 0.22 0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 31.09 3krc h MET 182 CO -0.19 1.07 -0.65 0.45 0.23 0.00 0.00 176.91 177.83 3krc h HIS 183 N 0.47 0.70 -0.92 1.39 3.86 -0.69 0.37 115.15 120.33 3krc h HIS 183 Ca -0.01 -0.28 0.04 0.00 -1.16 0.00 0.00 60.37 58.95 3krc h HIS 183 Cb 1.22 -0.12 -0.05 0.00 1.06 0.00 0.00 27.41 29.52 3krc h HIS 183 CO 0.06 1.04 0.60 0.00 0.86 0.00 0.00 177.93 180.49 3krc h ALA 184 N 0.90 1.42 0.29 2.45 0.00 0.12 -1.97 119.26 122.46 3krc h ALA 184 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3krc h ALA 184 Cb 1.21 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3krc h ALA 184 CO 0.12 0.49 -0.14 0.00 0.00 0.00 0.00 179.25 179.72 3krc h GLY 186 N -0.72 0.44 0.92 0.00 0.00 -0.06 0.45 103.07 104.10 3krc h GLY 186 Ca -0.04 0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.40 3krc h GLY 186 CO 0.06 -0.21 -0.03 0.00 0.00 0.00 0.00 176.54 176.36 3krc h ALA 187 N 1.56 0.47 0.02 3.60 0.00 -1.37 0.39 119.26 123.93 3krc h ALA 187 Ca 0.28 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3krc h ALA 187 Cb 0.43 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3krc h ALA 187 CO -0.57 0.27 -0.06 0.00 0.00 0.00 0.00 179.25 178.89 3krc h ALA 188 N 0.84 -0.07 -0.39 0.00 0.00 -0.46 0.05 119.26 119.24 3krc h ALA 188 Ca 0.10 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3krc h ALA 188 Cb 0.50 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3krc h ALA 188 CO 0.02 -0.56 0.20 0.00 0.00 0.00 0.00 179.25 178.92 3krc h GLY 190 N 0.42 1.10 1.08 0.00 0.00 -0.60 0.16 103.07 105.24 3krc h GLY 190 Ca 0.16 -0.25 -0.14 0.00 0.00 0.00 0.00 47.33 47.11 3krc h GLY 190 CO -0.10 0.08 -0.28 0.00 0.00 0.00 0.00 176.54 176.25 3krc h ALA 191 N 1.43 0.59 0.43 3.60 0.00 -0.54 -1.36 119.26 123.40 3krc h ALA 191 Ca 0.35 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3krc h ALA 191 Cb 0.35 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3krc h ALA 191 CO -0.25 0.62 -0.23 0.82 0.00 0.00 0.00 179.25 180.20 3krc h ILE 192 N 0.74 0.53 0.00 0.00 2.04 -0.33 -0.47 117.51 120.02 3krc h ILE 192 Ca 0.08 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.93 3krc h ILE 192 Cb 0.86 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 3krc h ILE 192 CO 0.08 0.00 -0.08 -0.07 0.00 0.00 0.00 178.15 178.08 3krc h LEU 193 N -0.61 0.00 -0.00 1.44 3.38 -0.69 -1.77 115.31 117.06 3krc h LEU 193 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3krc h LEU 193 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3krc h LEU 193 CO 0.08 0.08 -0.09 0.61 0.09 0.00 0.00 178.44 179.21 3krc n GLY 194 N -0.90 -1.45 0.29 0.83 0.00 -0.52 -4.89 105.19 98.56 3krc n GLY 194 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3krc n GLY 194 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krc n GLY 195 N 1.50 0.92 3.73 -0.02 0.00 -0.67 -3.87 105.19 106.78 3krc n GLY 195 Ca 0.07 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3krc n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3krc s ALA 196 N -2.00 2.27 0.62 4.61 0.00 -0.24 -5.02 121.76 122.00 3krc s ALA 196 Ca 0.00 0.95 -0.05 0.00 0.00 0.00 0.00 51.96 52.85 3krc s ALA 196 Cb 0.00 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.67 3krc s ALA 196 CO 0.00 -1.64 0.92 0.00 0.00 0.00 0.00 175.76 175.04 3krc s ALA 197 N -1.82 3.31 0.27 0.00 0.00 -1.26 -4.79 121.76 117.48 3krc s ALA 197 Ca 0.76 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.90 3krc s ALA 197 Cb -0.30 -2.55 0.61 0.00 0.00 0.00 0.00 23.12 20.87 3krc s ALA 197 CO 0.41 -0.94 1.73 0.93 0.00 0.00 0.00 175.76 177.89 3krc h GLU 198 N -0.27 0.49 -0.62 0.00 4.39 -2.00 -1.76 114.58 114.82 3krc h GLU 198 Ca -0.45 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.20 3krc h GLU 198 Cb 1.28 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.79 3krc h GLU 198 CO 0.60 0.33 0.29 1.49 -1.16 0.00 0.00 179.01 180.55 3krc h GLU 199 N 0.51 0.89 -0.28 2.33 4.81 -2.00 -1.79 114.58 119.05 3krc h GLU 199 Ca 0.50 -0.14 -0.13 0.00 -0.13 0.00 0.00 59.36 59.46 3krc h GLU 199 Cb 0.82 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 3krc h GLU 199 CO -0.44 0.72 -0.37 0.93 -0.73 0.00 0.00 179.01 179.12 3krc h GLU 200 N 0.85 0.63 -0.11 1.92 5.08 -1.75 -1.01 114.58 120.19 3krc h GLU 200 Ca 0.21 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3krc h GLU 200 Cb 0.13 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3krc h GLU 200 CO -0.03 0.90 0.06 0.82 -1.00 0.00 0.00 179.01 179.77 3krc h ILE 201 N 0.53 1.10 -0.82 3.13 2.04 -1.19 0.79 117.51 123.09 3krc h ILE 201 Ca 0.05 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 3krc h ILE 201 Cb 0.88 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 3krc h ILE 201 CO 0.08 0.09 0.38 -0.61 0.00 0.00 0.00 178.15 178.09 3krc h GLN 202 N 0.08 1.19 -0.26 2.37 5.75 -1.20 0.49 115.11 123.53 3krc h GLN 202 Ca 0.04 -0.18 -0.05 0.00 -0.15 0.00 0.00 58.65 58.31 3krc h GLN 202 Cb 0.09 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.42 3krc h GLN 202 CO -0.01 0.93 -0.03 0.87 -2.65 0.00 0.00 178.83 177.94 3krc h LYS 203 N 1.18 0.48 -0.20 1.69 1.57 -0.84 -0.96 116.57 119.49 3krc h LYS 203 Ca 0.28 -0.17 -0.11 0.00 -1.87 0.00 0.00 60.65 58.78 3krc h LYS 203 Cb 0.14 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3krc h LYS 203 CO -0.03 0.67 -0.35 -0.07 -0.57 0.00 0.00 179.45 179.10 3krc h LEU 204 N 0.24 0.43 0.05 2.94 3.38 -0.55 -0.94 115.31 120.86 3krc h LEU 204 Ca 0.07 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3krc h LEU 204 Cb 0.48 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3krc h LEU 204 CO 0.02 0.76 -0.11 -0.09 0.09 0.00 0.00 178.44 179.11 3krc h ARG 205 N 0.36 -0.21 -0.34 1.13 2.43 0.23 -0.91 114.38 117.06 3krc h ARG 205 Ca 0.04 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 3krc h ARG 205 Cb 0.79 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.36 3krc h ARG 205 CO 0.06 -0.14 -0.01 -0.91 -1.51 0.00 0.00 179.97 177.47 3krc h ASN 206 N -0.21 0.50 0.60 -3.80 2.35 -0.81 0.15 115.58 114.36 3krc h ASN 206 Ca 0.02 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.65 3krc h ASN 206 Cb 0.24 -0.13 0.01 0.00 0.05 0.00 0.00 38.32 38.48 3krc h ASN 206 CO -0.07 0.58 -0.29 0.15 -1.65 0.00 0.00 177.43 176.15 3krc h PHE 207 N 0.51 -0.75 -0.95 1.19 3.57 -0.84 -2.00 116.94 117.67 3krc h PHE 207 Ca 0.11 -0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.74 3krc h PHE 207 Cb 0.35 0.25 -0.08 0.00 2.79 0.00 0.00 35.95 39.25 3krc h PHE 207 CO 0.01 -0.43 0.60 0.78 -2.23 0.00 0.00 178.31 177.05 3krc h GLY 208 N -0.91 1.44 0.82 2.40 0.00 -0.87 0.85 103.07 106.80 3krc h GLY 208 Ca -0.08 -0.35 0.03 0.00 0.00 0.00 0.00 47.33 46.93 3krc h GLY 208 CO 0.14 0.09 0.27 -2.00 0.00 0.00 0.00 176.54 175.04 3krc h LEU 209 N 0.80 0.42 0.01 3.11 5.85 -0.63 0.18 115.31 125.05 3krc h LEU 209 Ca 0.49 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.22 3krc h LEU 209 Cb 0.68 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.64 3krc h LEU 209 CO -0.25 0.30 -0.00 1.88 -0.34 0.00 0.00 178.44 180.02 3krc h TYR 210 N 0.54 -0.01 -0.94 1.25 0.99 -0.45 -2.96 116.97 115.38 3krc h TYR 210 Ca 0.21 -0.00 0.09 0.00 2.00 0.00 0.00 58.73 61.03 3krc h TYR 210 Cb 0.07 0.00 -0.07 0.00 1.00 0.00 0.00 36.73 37.73 3krc h TYR 210 CO -0.08 0.54 0.61 0.37 -0.00 0.00 0.00 178.16 179.59 3krc h GLN 211 N -0.56 0.96 -0.01 4.88 -0.00 0.88 -1.30 115.11 119.96 3krc h GLN 211 Ca -0.00 -0.06 -0.13 0.00 -0.00 0.00 0.00 58.65 58.46 3krc h GLN 211 Cb 0.55 -0.22 -0.02 0.00 0.00 0.00 0.00 27.48 27.79 3krc h GLN 211 CO 0.00 0.64 -0.61 0.78 0.00 0.00 0.00 178.83 179.63 3krc h GLY 212 N 0.99 0.04 1.07 2.39 0.00 -0.71 -0.67 103.07 106.18 3krc h GLY 212 Ca 0.43 -0.05 -0.13 0.00 0.00 0.00 0.00 47.33 47.59 3krc h GLY 212 CO -0.19 0.04 -0.23 -0.84 0.00 0.00 0.00 176.54 175.32 3krc h THR 213 N 0.02 1.27 0.20 4.70 2.02 -1.15 -1.18 112.91 118.80 3krc h THR 213 Ca -0.01 -1.38 -0.01 0.00 0.77 0.00 0.00 66.41 65.78 3krc h THR 213 Cb 1.09 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 3krc h THR 213 CO 0.08 0.47 -0.09 0.25 0.37 0.00 0.00 175.52 176.60 3krc h LEU 214 N 0.74 -0.22 -0.40 2.58 5.85 -1.08 0.21 115.31 122.98 3krc h LEU 214 Ca 0.09 -0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.77 3krc h LEU 214 Cb 0.80 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.81 3krc h LEU 214 CO 0.07 -0.00 -0.10 -0.09 -0.34 0.00 0.00 178.44 177.98 3krc h ARG 215 N -0.44 0.00 0.00 1.25 9.65 -1.05 -0.34 114.38 123.46 3krc h ARG 215 Ca -0.03 -0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 58.77 3krc h ARG 215 Cb 0.34 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.90 3krc h ARG 215 CO 0.04 0.00 -0.41 0.78 2.80 0.00 0.00 179.97 183.19 3krc h GLY 216 N 0.00 0.00 2.00 2.80 0.00 -1.18 -1.14 103.07 105.55 3krc h GLY 216 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 3krc h GLY 216 CO -0.41 0.00 -0.05 1.98 0.00 0.00 0.00 176.54 178.06 3krc h MET 217 N 0.00 0.00 0.00 4.80 1.85 0.69 -2.31 114.93 119.96 3krc h MET 217 Ca -0.00 0.00 -0.19 0.00 -0.61 0.00 0.00 59.70 58.89 3krc h MET 217 Cb 0.81 0.00 0.02 0.00 0.43 0.00 0.00 31.60 32.86 3krc h MET 217 CO 0.05 0.05 -0.76 0.52 -0.40 0.00 0.00 176.91 176.37 3krc h MET 218 N 0.00 0.51 -0.54 0.39 2.07 -0.02 -3.08 114.93 114.25 3krc h MET 218 Ca -0.00 -0.55 0.10 0.00 -2.07 0.00 0.00 59.70 57.18 3krc h MET 218 Cb 0.08 0.16 -0.09 0.00 -1.87 0.00 0.00 31.60 29.89 3krc h MET 218 CO 0.01 1.19 0.05 0.93 1.07 0.00 0.00 176.91 180.15 3krc h GLU 219 N 0.06 0.16 0.00 1.72 4.39 -1.19 0.63 114.58 120.36 3krc h GLU 219 Ca -0.10 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.59 3krc h GLU 219 Cb 1.46 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.07 3krc h GLU 219 CO 0.15 0.11 0.00 0.52 -1.16 0.00 0.00 179.01 178.63 3krc h MET 220 N 0.17 0.00 0.00 2.33 2.86 -1.54 -3.28 114.93 115.47 3krc h MET 220 Ca 0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 3krc h MET 220 Cb 0.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 3krc h MET 220 CO -0.42 0.00 0.72 0.87 1.06 0.00 0.00 176.91 179.14 3krc h LYS 221 N 0.00 0.00 0.04 1.72 1.57 -0.77 0.21 116.57 119.34 3krc h LYS 221 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 3krc h LYS 221 Cb 0.37 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.70 3krc h LYS 221 CO 0.00 0.00 -0.45 -0.91 -0.57 0.00 0.00 179.45 177.52 3krc h ASN 222 N 0.00 0.32 -0.47 0.86 2.35 -1.76 -3.32 115.58 113.56 3krc h ASN 222 Ca 0.00 -0.86 -0.03 0.00 -0.55 0.00 0.00 56.30 54.86 3krc h ASN 222 Cb 1.45 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 39.69 3krc h ASN 222 CO 0.00 1.15 0.20 -1.28 -1.65 0.00 0.00 177.43 175.85 3krc h SER 223 N -0.46 0.68 -3.17 5.81 0.87 -0.85 -3.38 113.55 113.05 3krc h SER 223 Ca -0.07 -0.09 -0.59 0.00 -1.23 0.00 0.00 61.79 59.81 3krc h SER 223 Cb 1.25 -0.18 -0.40 0.00 -0.44 0.00 0.00 62.40 62.64 3krc h SER 223 CO 0.09 0.63 -0.77 -1.00 -0.53 0.00 0.00 176.83 175.24 3krc s HIS 224 N -5.33 1.53 -0.84 2.24 3.76 -1.16 -4.18 115.29 111.30 3krc s HIS 224 Ca -0.09 -2.01 -0.25 0.00 -0.15 0.00 0.00 55.06 52.56 3krc s HIS 224 Cb 0.16 -1.56 -0.07 0.00 1.11 0.00 0.00 32.58 32.22 3krc s HIS 224 CO 0.78 -0.82 2.09 -0.65 -0.85 0.00 0.00 174.74 175.29 3krc s GLN 225 N 0.89 2.27 -0.05 1.40 -1.52 -1.25 -4.18 119.66 117.22 3krc s GLN 225 Ca 0.16 0.04 0.02 0.00 -1.95 0.00 0.00 55.36 53.62 3krc s GLN 225 Cb -0.22 -4.93 0.05 0.00 -0.22 0.00 0.00 33.01 27.69 3krc s GLN 225 CO -0.06 -3.65 0.99 -0.11 -0.25 0.00 0.00 175.29 172.21 3krc n LEU 226 N 15.32 -0.98 -3.04 2.90 7.94 -1.26 -5.03 117.00 132.86 3krc n LEU 226 Ca 0.41 -2.00 0.00 0.00 -1.11 0.00 0.00 56.01 53.31 3krc n LEU 226 Cb 0.46 0.02 0.00 0.00 0.53 0.00 0.00 43.42 44.44 3krc n LEU 226 CO 0.59 1.45 0.57 -0.38 -1.11 0.00 0.00 177.39 178.51 3krc n ILE 227 N -0.21 0.00 -1.60 1.96 5.41 -1.26 -4.80 119.36 118.86 3krc n ILE 227 Ca -0.24 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.08 3krc n ILE 227 Cb 0.69 -0.98 -0.03 0.00 -0.71 0.00 0.00 39.64 38.61 3krc n ILE 227 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 3krc n ASP 228 N 3.70 3.34 0.28 4.38 2.03 -1.26 -4.81 116.55 124.20 3krc n ASP 228 Ca 0.00 0.27 0.17 0.00 0.52 0.00 0.00 54.79 55.75 3krc n ASP 228 Cb 0.00 -1.55 0.93 0.00 -0.72 0.00 0.00 41.12 39.78 3krc n ASP 228 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3krc h GLU 229 N 14.63 0.00 -0.86 -0.67 4.81 -1.99 -2.32 114.58 128.18 3krc h GLU 229 Ca -0.42 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 58.85 3krc h GLU 229 Cb 1.24 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.57 3krc h GLU 229 CO 0.96 0.00 0.57 -0.91 -0.73 0.00 0.00 179.01 178.90 3krc h ASN 230 N 0.00 0.93 -0.03 1.04 2.35 -1.98 1.27 115.58 119.15 3krc h ASN 230 Ca 0.03 -0.01 -0.18 0.00 -0.55 0.00 0.00 56.30 55.58 3krc h ASN 230 Cb 0.19 -0.22 0.01 0.00 0.05 0.00 0.00 38.32 38.35 3krc h ASN 230 CO -0.00 0.64 -0.69 0.40 -1.65 0.00 0.00 177.43 176.13 3krc h ILE 231 N 1.08 1.37 -0.55 2.81 1.08 -1.81 -0.79 117.51 120.70 3krc h ILE 231 Ca 0.34 -2.05 0.04 0.00 -0.39 0.00 0.00 64.86 62.80 3krc h ILE 231 Cb 0.01 2.42 -0.04 0.00 -3.07 0.00 0.00 36.82 36.14 3krc h ILE 231 CO -0.10 0.61 0.31 0.40 -0.69 0.00 0.00 178.15 178.68 3krc h ILE 232 N 0.10 1.00 -0.08 -0.67 2.04 -1.34 -2.16 117.51 116.40 3krc h ILE 232 Ca -0.08 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 3krc h ILE 232 Cb 1.37 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.80 3krc h ILE 232 CO 0.14 0.11 -0.01 1.23 0.00 0.00 0.00 178.15 179.62 3krc h GLY 233 N 0.59 0.15 0.23 5.37 0.00 0.16 -2.94 103.07 106.64 3krc h GLY 233 Ca 0.24 -0.12 0.20 0.00 0.00 0.00 0.00 47.33 47.64 3krc h GLY 233 CO -0.14 0.11 0.61 1.70 0.00 0.00 0.00 176.54 178.82 3krc h LYS 234 N -0.17 0.56 0.17 4.80 3.64 -0.88 -1.71 116.57 122.98 3krc h LYS 234 Ca 0.02 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3krc h LYS 234 Cb 0.38 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3krc h LYS 234 CO 0.01 0.37 -0.08 -0.07 -2.27 0.00 0.00 179.45 177.41 3krc h LEU 235 N 0.58 -0.19 -1.21 5.20 3.38 -1.36 -2.56 115.31 119.14 3krc h LEU 235 Ca 0.52 -0.25 0.10 0.00 0.09 0.00 0.00 57.88 58.34 3krc h LEU 235 Cb 1.05 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.78 3krc h LEU 235 CO -0.26 0.17 0.57 0.07 0.09 0.00 0.00 178.44 179.08 3krc h LYS 236 N -0.57 0.83 -0.22 1.13 2.10 -1.16 -1.21 116.57 117.47 3krc h LYS 236 Ca -0.02 -0.05 -0.03 0.00 -2.00 0.00 0.00 60.65 58.55 3krc h LYS 236 Cb 0.43 -0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 31.57 3krc h LYS 236 CO 0.04 0.55 0.03 1.49 -2.00 0.00 0.00 179.45 179.56 3krc h GLU 237 N 0.86 0.37 -0.77 0.07 4.81 -1.32 0.31 114.58 118.90 3krc h GLU 237 Ca 0.42 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.54 3krc h GLU 237 Cb 0.45 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.75 3krc h GLU 237 CO -0.18 0.52 0.47 -0.07 -0.73 0.00 0.00 179.01 179.01 3krc h LEU 238 N 0.17 0.91 0.16 1.64 3.38 -0.95 -2.06 115.31 118.56 3krc h LEU 238 Ca 0.07 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3krc h LEU 238 Cb 0.33 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3krc h LEU 238 CO 0.00 0.69 -0.08 0.00 0.09 0.00 0.00 178.44 179.15 3krc h ALA 239 N 1.46 -0.78 0.00 1.53 0.00 -1.02 -3.12 119.26 117.33 3krc h ALA 239 Ca 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3krc h ALA 239 Cb -0.05 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3krc h ALA 239 CO -0.05 -0.76 0.33 -0.07 0.00 0.00 0.00 179.25 178.69 3krc h LEU 240 N -0.28 0.00 -0.80 0.00 3.38 -0.99 1.04 115.31 117.66 3krc h LEU 240 Ca -0.02 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 3krc h LEU 240 Cb 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3krc h LEU 240 CO 0.04 0.00 -0.59 -0.08 0.09 0.00 0.00 178.44 177.90 3krc h GLU 241 N 0.00 0.00 0.00 1.13 4.57 -1.32 -2.97 114.58 115.99 3krc h GLU 241 Ca 0.00 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.08 3krc h GLU 241 Cb 0.65 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 3krc h GLU 241 CO 0.00 0.59 -0.51 0.93 -1.18 0.00 0.00 179.01 178.83 3krc h GLU 242 N 0.00 0.00 0.00 1.92 4.39 0.12 -3.19 114.58 117.82 3krc h GLU 242 Ca -0.01 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.62 3krc h GLU 242 Cb 1.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.70 3krc h GLU 242 CO 0.08 0.45 -0.34 -0.07 -1.16 0.00 0.00 179.01 177.97 3krc h LEU 243 N 0.00 0.00 -9.34 1.33 3.38 -1.41 -3.44 115.31 105.84 3krc h LEU 243 Ca -0.01 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.42 3krc h LEU 243 Cb 1.36 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.12 3krc h LEU 243 CO 0.06 0.34 1.08 -0.83 0.09 0.00 0.00 178.44 179.17 3krc s GLY 244 N -4.37 1.54 0.00 0.83 0.00 -1.13 -1.26 107.32 102.92 3krc s GLY 244 Ca 0.03 1.08 0.00 0.00 0.00 0.00 0.00 44.72 45.83 3krc s GLY 244 CO 0.70 3.06 0.00 0.61 0.00 0.00 0.00 173.10 177.47 3krc n GLY 245 N 4.15 1.28 0.12 0.20 0.00 -1.26 -4.87 105.19 104.81 3krc n GLY 245 Ca 0.17 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.16 3krc n GLY 245 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3krc h PHE 246 N 0.00 0.00 0.00 1.61 3.04 -1.49 -3.50 116.94 116.60 3krc h PHE 246 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 3krc h PHE 246 Cb 0.00 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.51 3krc h PHE 246 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 178.31 177.01 3krc n HIS 247 N -2.61 0.00 0.00 0.41 8.25 -1.23 -4.71 115.22 115.33 3krc n HIS 247 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 3krc n HIS 247 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 3krc n HIS 247 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3krc n GLY 248 N 0.21 0.69 0.28 -1.41 0.00 -1.26 -4.69 105.19 99.01 3krc n GLY 248 Ca 0.00 -1.71 0.14 0.00 0.00 0.00 0.00 46.02 44.45 3krc n GLY 248 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3krc h LYS 249 N 0.00 0.00 0.00 1.61 1.63 -1.98 -3.01 116.57 114.82 3krc h LYS 249 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3krc h LYS 249 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 3krc h LYS 249 CO 0.00 0.06 0.00 0.09 -3.45 0.00 0.00 179.45 176.15 3krc n ASN 250 N -3.69 0.00 -0.24 4.20 4.13 -1.26 0.45 115.26 118.84 3krc n ASN 250 Ca -0.02 0.85 0.00 0.00 1.68 0.00 0.00 54.58 57.08 3krc n ASN 250 Cb 0.16 -0.35 0.00 0.00 -1.54 0.00 0.00 39.78 38.05 3krc n ASN 250 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3krc n ALA 251 N -2.36 1.51 0.07 5.41 0.00 -1.14 -3.18 120.51 120.82 3krc n ALA 251 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3krc n ALA 251 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3krc n ALA 251 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3krc n GLU 252 N -0.07 0.00 0.27 0.00 4.07 0.70 -4.47 120.64 121.14 3krc n GLU 252 Ca 0.00 0.00 0.14 0.00 -0.06 0.00 0.00 57.16 57.24 3krc n GLU 252 Cb 0.02 -0.16 0.63 0.00 -0.06 0.00 0.00 31.44 31.87 3krc n GLU 252 CO 0.00 0.00 0.00 1.37 -0.06 0.00 0.00 177.13 178.44 3krc h LEU 253 N 0.00 0.00 0.10 4.31 -0.00 0.94 0.52 115.31 121.19 3krc h LEU 253 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.88 57.64 3krc h LEU 253 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.66 3krc h LEU 253 CO 0.00 0.00 -1.22 0.24 -0.00 0.00 0.00 178.44 177.46 3krc h MET 254 N 0.00 0.22 -0.20 0.17 2.86 -1.67 -3.35 114.93 112.95 3krc h MET 254 Ca 0.05 -0.37 0.06 0.00 -2.06 0.00 0.00 59.70 57.38 3krc h MET 254 Cb 1.11 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.90 3krc h MET 254 CO -0.00 1.18 0.37 0.77 1.06 0.00 0.00 176.91 180.29 3krc h SER 255 N -0.41 0.00 -0.07 1.22 0.02 -0.17 0.12 113.55 114.25 3krc h SER 255 Ca -0.26 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.71 3krc h SER 255 Cb 1.66 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.20 3krc h SER 255 CO 0.05 0.00 0.13 0.28 -1.14 0.00 0.00 176.83 176.15 3krc h SER 256 N 0.00 0.00 0.44 3.07 0.02 -1.64 0.24 113.55 115.67 3krc h SER 256 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3krc h SER 256 Cb 0.83 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.37 3krc h SER 256 CO -0.00 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.87 3krc n LEU 257 N -3.48 0.00 -0.35 5.07 4.77 0.41 -2.86 117.00 120.56 3krc n LEU 257 Ca -0.01 0.25 0.05 0.00 -0.03 0.00 0.00 56.01 56.27 3krc n LEU 257 Cb 0.22 -0.25 0.03 0.00 -2.33 0.00 0.00 43.42 41.10 3krc n LEU 257 CO 0.23 -0.03 0.37 1.33 -1.33 0.00 0.00 177.39 177.96 3krc n VAL 258 N -1.25 0.00 0.16 4.08 0.24 0.84 -4.98 118.33 117.43 3krc n VAL 258 Ca 0.14 -0.48 0.01 0.00 -2.04 0.00 0.00 64.34 61.97 3krc n VAL 258 Cb 0.20 1.18 0.08 0.00 -1.47 0.00 0.00 33.84 33.83 3krc n VAL 258 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69