#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3krc s GLN 2 N 0.00 2.60 0.20 3.17 -0.21 -1.26 -4.85 119.66 119.32 3krc s GLN 2 Ca 0.00 1.57 -0.10 0.00 0.02 0.00 0.00 55.36 56.85 3krc s GLN 2 Cb 0.00 -1.91 0.25 0.00 1.00 0.00 0.00 33.01 32.35 3krc s GLN 2 CO 0.00 -1.44 1.77 -1.00 -2.12 0.00 0.00 175.29 172.50 3krc h PRO 3 N 0.05 0.49 -0.15 2.91 0.13 -2.05 -1.92 132.00 131.46 3krc h PRO 3 Ca -0.48 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3krc h PRO 3 Cb 1.27 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3krc h PRO 3 CO 0.53 0.33 0.08 -0.92 -0.23 0.00 0.00 178.00 177.78 3krc h TYR 4 N 0.51 0.21 -0.01 1.56 3.20 -2.00 -2.73 116.97 117.71 3krc h TYR 4 Ca 0.29 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.04 3krc h TYR 4 Cb 0.29 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 3krc h TYR 4 CO -0.13 0.24 -0.51 -1.49 -1.64 0.00 0.00 178.16 174.63 3krc h TRP 5 N 0.12 0.04 0.00 -3.82 4.06 -1.90 -2.43 115.95 112.02 3krc h TRP 5 Ca 0.05 -0.01 -0.08 0.00 2.06 0.00 0.00 58.89 60.91 3krc h TRP 5 Cb 0.10 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.25 3krc h TRP 5 CO -0.03 0.54 -0.36 0.00 -3.56 0.00 0.00 178.44 175.03 3krc h ALA 6 N 1.46 0.90 0.00 1.49 0.00 -1.33 -2.48 119.26 119.30 3krc h ALA 6 Ca -0.00 -0.33 -0.22 0.00 0.00 0.00 0.00 54.91 54.36 3krc h ALA 6 Cb 0.92 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3krc h ALA 6 CO 0.07 0.45 -1.09 0.00 0.00 0.00 0.00 179.25 178.68 3krc h ALA 7 N 1.64 0.39 -0.08 0.00 0.00 -1.13 -1.39 119.26 118.69 3krc h ALA 7 Ca -0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 54.91 53.91 3krc h ALA 7 Cb 1.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 3krc h ALA 7 CO 0.05 1.28 -0.03 0.82 0.00 0.00 0.00 179.25 181.37 3krc h ILE 8 N 0.00 1.31 -0.76 0.00 2.04 -1.41 -1.75 117.51 116.93 3krc h ILE 8 Ca -0.05 -0.98 0.12 0.00 1.00 0.00 0.00 64.86 64.95 3krc h ILE 8 Cb 1.81 1.80 -0.08 0.00 -0.74 0.00 0.00 36.82 39.61 3krc h ILE 8 CO 0.13 0.27 0.38 -0.08 0.00 0.00 0.00 178.15 178.85 3krc h GLU 9 N -0.19 0.58 -0.11 2.37 4.81 -1.44 0.02 114.58 120.61 3krc h GLU 9 Ca 0.02 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 3krc h GLU 9 Cb 0.45 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 3krc h GLU 9 CO 0.01 0.38 -0.30 0.00 -0.73 0.00 0.00 179.01 178.37 3krc h ALA 10 N 1.49 1.29 0.06 2.92 0.00 -0.91 -0.17 119.26 123.93 3krc h ALA 10 Ca 0.39 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3krc h ALA 10 Cb 0.49 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3krc h ALA 10 CO -0.32 0.49 -0.05 -0.44 0.00 0.00 0.00 179.25 178.93 3krc h ASP 11 N 0.18 -0.12 -0.72 0.00 3.32 -0.13 0.06 116.42 119.00 3krc h ASP 11 Ca 0.03 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.09 3krc h ASP 11 Cb 0.63 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 3krc h ASP 11 CO 0.05 -0.08 0.47 0.40 -1.72 0.00 0.00 179.24 178.36 3krc h ILE 12 N -0.11 1.19 -0.34 0.35 2.04 -0.73 -0.01 117.51 119.89 3krc h ILE 12 Ca -0.00 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.53 3krc h ILE 12 Cb 0.10 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.28 3krc h ILE 12 CO -0.00 0.18 0.15 -0.08 0.00 0.00 0.00 178.15 178.40 3krc h GLU 13 N 0.98 0.31 -0.61 2.37 4.81 -0.63 0.18 114.58 121.99 3krc h GLU 13 Ca 0.26 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.44 3krc h GLU 13 Cb -0.10 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 3krc h GLU 13 CO -0.06 0.21 0.25 0.00 -0.73 0.00 0.00 179.01 178.68 3krc h ARG 14 N 0.32 0.89 -0.03 1.92 3.08 -0.37 0.08 114.38 120.27 3krc h ARG 14 Ca 0.15 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 3krc h ARG 14 Cb 0.08 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 3krc h ARG 14 CO -0.12 0.72 0.00 -0.92 -1.07 0.00 0.00 179.97 178.59 3krc h TYR 15 N 0.88 0.06 -0.79 3.04 5.03 -0.53 -1.85 116.97 122.79 3krc h TYR 15 Ca 0.21 -0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.58 3krc h TYR 15 Cb 0.16 -0.01 -0.06 0.00 1.55 0.00 0.00 36.73 38.37 3krc h TYR 15 CO 0.01 0.31 0.47 -0.07 -1.32 0.00 0.00 178.16 177.56 3krc h LEU 16 N -0.21 0.72 -1.38 2.82 3.38 -0.75 -0.06 115.31 119.82 3krc h LEU 16 Ca 0.01 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3krc h LEU 16 Cb 0.28 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3krc h LEU 16 CO 0.00 0.45 -0.13 0.11 0.09 0.00 0.00 178.44 178.97 3krc h LYS 17 N 0.85 0.26 0.03 1.13 1.57 -0.81 -0.61 116.57 118.98 3krc h LYS 17 Ca 0.36 -0.06 -0.27 0.00 -1.87 0.00 0.00 60.65 58.81 3krc h LYS 17 Cb 0.21 -0.04 0.02 0.00 0.08 0.00 0.00 32.23 32.51 3krc h LYS 17 CO -0.19 0.39 -1.08 -0.22 -0.57 0.00 0.00 179.45 177.78 3krc h LYS 18 N 0.24 0.65 0.00 3.15 3.64 -0.67 -3.23 116.57 120.36 3krc h LYS 18 Ca 0.05 -0.74 -0.01 0.00 -1.27 0.00 0.00 60.65 58.68 3krc h LYS 18 Cb 0.38 0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3krc h LYS 18 CO 0.02 1.32 -0.05 0.77 -2.27 0.00 0.00 179.45 179.24 3krc h SER 19 N 0.35 0.00 -2.35 4.20 0.02 -0.66 -3.37 113.55 111.74 3krc h SER 19 Ca -0.14 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.16 3krc h SER 19 Cb 1.74 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.89 3krc h SER 19 CO 0.21 0.05 -0.26 -0.38 -1.14 0.00 0.00 176.83 175.31 3krc n ILE 20 N -3.12 3.21 -2.24 3.27 5.41 -0.27 -5.05 119.36 120.57 3krc n ILE 20 Ca 0.03 -5.45 -0.41 0.00 1.00 0.00 0.00 62.75 57.92 3krc n ILE 20 Cb 0.48 -1.98 -0.03 0.00 -0.71 0.00 0.00 39.64 37.39 3krc n ILE 20 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3krc s THR 21 N -2.88 3.60 -0.77 1.39 -4.23 -1.26 -4.89 115.64 106.61 3krc s THR 21 Ca 0.39 0.48 -0.25 0.00 -1.18 0.00 0.00 61.69 61.13 3krc s THR 21 Cb 0.15 -4.21 -0.17 0.00 1.34 0.00 0.00 72.50 69.61 3krc s THR 21 CO -0.01 -1.04 2.47 -0.38 -0.54 0.00 0.00 174.62 175.12 3krc n ILE 22 N 7.01 -0.03 -4.52 2.99 5.41 -1.26 -4.91 119.36 124.04 3krc n ILE 22 Ca 0.16 -0.46 -0.24 0.00 1.00 0.00 0.00 62.75 63.20 3krc n ILE 22 Cb 0.50 -1.56 -0.10 0.00 -0.71 0.00 0.00 39.64 37.77 3krc n ILE 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3krc s ARG 23 N 8.44 1.80 0.45 0.38 1.70 -1.26 -5.00 118.95 125.46 3krc s ARG 23 Ca 1.14 -2.04 -0.24 0.00 -0.47 0.00 0.00 55.73 54.12 3krc s ARG 23 Cb -0.60 -1.02 -0.07 0.00 -0.57 0.00 0.00 34.95 32.69 3krc s ARG 23 CO 0.34 -0.23 1.24 -2.14 -1.08 0.00 0.00 175.30 173.44 3krc s PRO 24 N -3.83 3.76 0.04 3.89 0.02 -1.26 -3.11 135.00 134.51 3krc s PRO 24 Ca 0.31 1.98 -0.28 0.00 0.02 0.00 0.00 61.00 63.03 3krc s PRO 24 Cb 0.07 -2.53 -0.05 0.00 0.02 0.00 0.00 34.50 32.02 3krc s PRO 24 CO 0.15 -0.61 0.90 -1.25 -0.33 0.00 0.00 177.00 175.85 3krc s PRO 25 N -2.53 4.58 0.56 5.54 0.04 -1.26 -5.00 135.00 136.93 3krc s PRO 25 Ca 0.62 1.29 0.34 0.00 0.04 0.00 0.00 61.00 63.29 3krc s PRO 25 Cb -0.34 -3.41 1.43 0.00 0.04 0.00 0.00 34.50 32.23 3krc s PRO 25 CO 0.42 0.12 2.01 0.93 0.04 0.00 0.00 177.00 180.52 3krc h GLU 26 N 6.15 0.00 0.00 4.56 5.08 -1.94 -2.30 114.58 126.12 3krc h GLU 26 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3krc h GLU 26 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3krc h GLU 26 CO 0.73 0.01 0.00 0.25 -1.00 0.00 0.00 179.01 179.00 3krc n THR 27 N -3.11 0.86 -0.09 1.13 -2.24 -1.26 -1.05 114.28 108.51 3krc n THR 27 Ca 0.00 0.21 -0.11 0.00 -2.27 0.00 0.00 64.05 61.88 3krc n THR 27 Cb 0.29 -0.97 -0.04 0.00 -2.10 0.00 0.00 70.33 67.51 3krc n THR 27 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3krc n VAL 28 N -1.65 1.49 0.55 2.28 0.31 -0.91 -4.50 118.33 115.90 3krc n VAL 28 Ca 0.04 0.09 0.12 0.00 -0.01 0.00 0.00 64.34 64.58 3krc n VAL 28 Cb 0.20 -2.30 0.28 0.00 -0.91 0.00 0.00 33.84 31.11 3krc n VAL 28 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3krc h PHE 29 N -1.00 0.00 0.41 3.52 -1.00 -1.49 -2.94 116.94 114.44 3krc h PHE 29 Ca -0.08 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.68 3krc h PHE 29 Cb 1.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.57 3krc h PHE 29 CO -0.35 0.00 -0.20 0.78 -1.61 0.00 0.00 178.31 176.93 3krc h GLY 30 N 4.45 -0.57 1.63 -1.45 0.00 -1.33 -1.10 103.07 104.69 3krc h GLY 30 Ca 0.00 0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.50 3krc h GLY 30 CO 0.00 -0.21 -0.01 -2.55 0.00 0.00 0.00 176.54 173.77 3krc h PRO 31 N -0.92 0.46 -0.33 4.80 0.11 -1.72 -1.40 132.00 133.00 3krc h PRO 31 Ca -0.06 -0.09 -0.08 0.00 0.11 0.00 0.00 66.00 65.88 3krc h PRO 31 Cb 0.56 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 3krc h PRO 31 CO 0.09 0.50 -0.13 1.98 -0.21 0.00 0.00 178.00 180.23 3krc h MET 32 N 0.45 0.58 0.01 1.05 1.85 -1.53 -1.78 114.93 115.56 3krc h MET 32 Ca 0.10 -0.18 -0.17 0.00 -0.61 0.00 0.00 59.70 58.84 3krc h MET 32 Cb 0.31 -0.06 0.01 0.00 0.43 0.00 0.00 31.60 32.30 3krc h MET 32 CO 0.01 0.69 -0.67 1.25 -0.40 0.00 0.00 176.91 177.79 3krc h HIS 33 N 0.53 0.65 -0.17 1.39 6.17 -0.66 -3.00 115.15 120.06 3krc h HIS 33 Ca 0.09 -0.36 -0.00 0.00 0.71 0.00 0.00 60.37 60.81 3krc h HIS 33 Cb 0.53 -0.07 -0.01 0.00 2.52 0.00 0.00 27.41 30.39 3krc h HIS 33 CO 0.02 1.19 0.10 1.25 0.71 0.00 0.00 177.93 181.20 3krc h HIS 34 N -0.07 0.22 0.00 5.26 6.17 -1.25 -3.09 115.15 122.39 3krc h HIS 34 Ca -0.09 -0.00 -0.05 0.00 0.71 0.00 0.00 60.37 60.94 3krc h HIS 34 Cb 1.39 -0.07 -0.01 0.00 2.52 0.00 0.00 27.41 31.24 3krc h HIS 34 CO 0.15 0.19 -0.24 -0.07 0.71 0.00 0.00 177.93 178.67 3krc h LEU 35 N 0.18 0.00 -0.39 0.26 3.38 -1.42 0.25 115.31 117.58 3krc h LEU 35 Ca 0.06 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3krc h LEU 35 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3krc h LEU 35 CO -0.01 0.24 0.04 0.74 0.09 0.00 0.00 178.44 179.54 3krc h THR 36 N 0.00 1.25 0.00 0.22 2.02 -1.49 -2.76 112.91 112.16 3krc h THR 36 Ca -0.00 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.26 3krc h THR 36 Cb 0.76 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 3krc h THR 36 CO 0.03 0.31 -0.48 0.49 0.37 0.00 0.00 175.52 176.24 3krc n PHE 37 N -4.50 0.03 0.21 3.16 3.01 -1.06 -3.72 117.46 114.58 3krc n PHE 37 Ca -0.01 0.01 0.10 0.00 1.01 0.00 0.00 57.45 58.56 3krc n PHE 37 Cb 0.25 -0.28 0.19 0.00 -0.01 0.00 0.00 39.48 39.63 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 2.98 0.93 -2.38 4.37 0.00 -0.23 -3.45 119.26 121.48 3krc h ALA 38 Ca 0.00 -0.11 -0.48 0.00 0.00 0.00 0.00 54.91 54.32 3krc h ALA 38 Cb 0.51 -0.02 0.05 0.00 0.00 0.00 0.00 17.79 18.33 3krc h ALA 38 CO 0.00 0.15 0.39 0.00 0.00 0.00 0.00 179.25 179.79 3krc s ALA 39 N -3.21 2.79 0.69 0.00 0.00 -1.11 -5.00 121.76 115.92 3krc s ALA 39 Ca 0.06 0.56 -0.16 0.00 0.00 0.00 0.00 51.96 52.42 3krc s ALA 39 Cb 0.06 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.93 3krc s ALA 39 CO 0.68 -0.58 1.17 -2.14 0.00 0.00 0.00 175.76 174.89 3krc s PRO 40 N -3.56 2.48 0.41 0.00 0.02 -1.26 -4.99 135.00 128.10 3krc s PRO 40 Ca 0.67 1.65 -0.25 0.00 0.02 0.00 0.00 61.00 63.08 3krc s PRO 40 Cb -0.17 -1.89 -0.08 0.00 0.02 0.00 0.00 34.50 32.38 3krc s PRO 40 CO 0.28 -1.54 1.24 0.00 -0.33 0.00 0.00 177.00 176.64 3krc s ALA 41 N -2.04 3.17 -0.08 -1.55 0.00 -1.26 -4.94 121.76 115.06 3krc s ALA 41 Ca 0.72 1.11 0.04 0.00 0.00 0.00 0.00 51.96 53.82 3krc s ALA 41 Cb -0.26 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.42 3krc s ALA 41 CO 0.42 -0.72 -0.19 -0.08 0.00 0.00 0.00 175.76 175.19 3krc s THR 42 N -1.34 1.62 0.49 0.00 -1.32 -1.26 -5.02 115.64 108.81 3krc s THR 42 Ca 0.58 -0.78 0.28 0.00 -1.21 0.00 0.00 61.69 60.56 3krc s THR 42 Cb -0.34 -1.42 0.32 0.00 -1.51 0.00 0.00 72.50 69.54 3krc s THR 42 CO 0.44 0.46 2.15 0.00 -2.21 0.00 0.00 174.62 175.45 3krc h ALA 43 N 6.70 1.39 -0.50 11.08 0.00 -1.99 -0.90 119.26 135.03 3krc h ALA 43 Ca -0.26 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 54.73 3krc h ALA 43 Cb 1.21 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3krc h ALA 43 CO 0.47 0.09 0.42 0.00 0.00 0.00 0.00 179.25 180.23 3krc h ALA 44 N 1.93 2.35 0.15 0.00 0.00 -1.89 0.48 119.26 122.27 3krc h ALA 44 Ca -0.00 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.64 3krc h ALA 44 Cb 0.20 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.04 3krc h ALA 44 CO 0.01 -0.67 -1.19 1.03 0.00 0.00 0.00 179.25 178.43 3krc h SER 45 N 0.00 0.50 0.37 0.00 0.87 -1.46 -3.24 113.55 110.59 3krc h SER 45 Ca 0.24 -0.91 -0.17 0.00 -1.23 0.00 0.00 61.79 59.72 3krc h SER 45 Cb 1.07 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.86 3krc h SER 45 CO -0.00 1.55 -0.69 0.71 -0.53 0.00 0.00 176.83 177.86 3krc h THR 46 N -0.25 1.40 -0.48 2.23 1.35 -1.22 -2.56 112.91 113.38 3krc h THR 46 Ca -0.23 -2.15 0.12 0.00 -0.55 0.00 0.00 66.41 63.61 3krc h THR 46 Cb 1.79 2.12 -0.02 0.00 -1.73 0.00 0.00 68.15 70.30 3krc h THR 46 CO 0.13 0.64 0.34 0.25 -0.25 0.00 0.00 175.52 176.63 3krc h LEU 47 N 0.20 0.07 0.19 3.87 5.85 -0.22 0.29 115.31 125.56 3krc h LEU 47 Ca -0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3krc h LEU 47 Cb 1.24 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.26 3krc h LEU 47 CO 0.11 0.04 -0.09 0.00 -0.34 0.00 0.00 178.44 178.16 3krc h LEU 49 N -0.61 -0.22 0.08 0.00 3.38 -1.41 -2.49 115.31 114.05 3krc h LEU 49 Ca -0.03 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3krc h LEU 49 Cb 0.45 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 3krc h LEU 49 CO 0.04 -0.13 -0.41 0.00 0.09 0.00 0.00 178.44 178.03 3krc h ALA 50 N 0.71 -0.70 -0.00 1.53 0.00 -0.94 -1.20 119.26 118.66 3krc h ALA 50 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3krc h ALA 50 Cb 0.18 0.70 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 3krc h ALA 50 CO -0.02 -0.96 0.00 0.00 0.00 0.00 0.00 179.25 178.27 3krc h ALA 51 N -0.10 1.89 -0.05 0.00 0.00 -0.84 0.33 119.26 120.49 3krc h ALA 51 Ca 0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3krc h ALA 51 Cb 0.66 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3krc h ALA 51 CO -0.26 -0.00 0.00 0.00 0.00 0.00 0.00 179.25 178.99 3krc h GLU 53 N -0.19 0.44 -0.44 0.00 4.11 -0.92 -0.37 114.58 117.21 3krc h GLU 53 Ca 0.02 -0.21 0.13 0.00 0.07 0.00 0.00 59.36 59.37 3krc h GLU 53 Cb 0.33 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3krc h GLU 53 CO 0.00 0.75 0.32 1.25 0.07 0.00 0.00 179.01 181.41 3krc h LEU 54 N 0.37 0.00 -2.90 3.06 5.85 -0.60 -1.63 115.31 119.46 3krc h LEU 54 Ca 0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3krc h LEU 54 Cb 0.82 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.85 3krc h LEU 54 CO 0.07 0.00 0.00 1.33 -0.34 0.00 0.00 178.44 179.50 3krc n VAL 55 N -4.38 1.32 0.00 1.05 0.24 -0.85 -4.93 118.33 110.78 3krc n VAL 55 Ca 0.08 -1.08 0.00 0.00 -2.04 0.00 0.00 64.34 61.30 3krc n VAL 55 Cb 0.52 0.36 0.00 0.00 -1.47 0.00 0.00 33.84 33.25 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 1.45 1.30 3.35 7.63 0.00 -0.61 -4.60 105.19 113.71 3krc n GLY 56 Ca 0.25 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 3krc n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krc n GLY 57 N 0.00 -2.76 3.30 -0.02 0.00 -0.19 -4.90 105.19 100.62 3krc n GLY 57 Ca 0.00 -1.34 -0.37 0.00 0.00 0.00 0.00 46.02 44.31 3krc n GLY 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3krc s ASP 58 N -2.55 5.01 0.46 1.61 2.15 -1.26 -3.84 116.67 118.25 3krc s ASP 58 Ca 0.67 -0.82 0.37 0.00 0.43 0.00 0.00 52.55 53.20 3krc s ASP 58 Cb -0.20 -1.84 1.27 0.00 -0.30 0.00 0.00 42.92 41.85 3krc s ASP 58 CO 0.62 -0.20 1.22 -2.11 -0.17 0.00 0.00 175.17 174.53 3krc n ARG 59 N 4.82 0.00 0.17 4.34 1.85 -1.26 0.70 116.66 127.27 3krc n ARG 59 Ca -0.14 0.87 0.11 0.00 -1.00 0.00 0.00 57.85 57.68 3krc n ARG 59 Cb 0.47 -2.03 0.64 0.00 -1.05 0.00 0.00 32.46 30.49 3krc n ARG 59 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3krc h SER 60 N 0.00 0.04 1.96 2.89 0.87 -1.95 -0.49 113.55 116.86 3krc h SER 60 Ca 0.69 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.25 3krc h SER 60 Cb 2.93 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 64.89 3krc h SER 60 CO -0.01 0.02 0.00 0.06 -0.53 0.00 0.00 176.83 176.38 3krc h GLN 61 N 0.04 0.00 -0.01 2.24 3.07 -0.12 -3.09 115.11 117.24 3krc h GLN 61 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.82 3krc h GLN 61 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.84 3krc h GLN 61 CO -0.01 0.00 -0.26 0.00 0.09 0.00 0.00 178.83 178.65 3krc n ALA 62 N -2.09 3.09 -0.06 0.06 0.00 -0.26 -4.48 120.51 116.78 3krc n ALA 62 Ca 0.04 -0.46 -0.08 0.00 0.00 0.00 0.00 53.44 52.94 3krc n ALA 62 Cb 0.52 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 18.88 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 1.63 0.18 -0.97 0.00 -1.53 -1.30 -0.32 114.93 112.61 3krc h MET 63 Ca 0.00 -0.01 0.04 0.00 -3.44 0.00 0.00 59.70 56.29 3krc h MET 63 Cb 0.56 -0.04 -0.06 0.00 -0.55 0.00 0.00 31.60 31.51 3krc h MET 63 CO 0.00 0.12 0.63 0.00 0.14 0.00 0.00 176.91 177.80 3krc h ALA 64 N 1.15 1.30 -0.31 0.39 0.00 -1.81 -1.51 119.26 118.47 3krc h ALA 64 Ca 0.10 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 3krc h ALA 64 Cb 0.08 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3krc h ALA 64 CO -0.11 0.50 -0.39 0.00 0.00 0.00 0.00 179.25 179.24 3krc h ALA 65 N 1.41 0.74 -0.37 0.00 0.00 -1.78 -1.61 119.26 117.63 3krc h ALA 65 Ca 0.39 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3krc h ALA 65 Cb 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3krc h ALA 65 CO -0.13 0.66 0.14 0.00 0.00 0.00 0.00 179.25 179.91 3krc h ALA 66 N 0.96 0.49 -0.68 0.00 0.00 -0.30 -1.08 119.26 118.66 3krc h ALA 66 Ca 0.05 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3krc h ALA 66 Cb 0.93 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 3krc h ALA 66 CO 0.08 0.10 0.44 0.00 0.00 0.00 0.00 179.25 179.87 3krc h ALA 67 N 0.98 0.88 -0.43 0.00 0.00 -1.20 -0.99 119.26 118.49 3krc h ALA 67 Ca 0.12 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 3krc h ALA 67 Cb 0.21 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3krc h ALA 67 CO -0.01 0.23 -0.21 0.00 0.00 0.00 0.00 179.25 179.27 3krc h ALA 68 N 1.27 0.81 -0.41 0.00 0.00 -1.12 0.37 119.26 120.19 3krc h ALA 68 Ca 0.26 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3krc h ALA 68 Cb -0.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3krc h ALA 68 CO -0.08 0.65 -0.00 0.82 0.00 0.00 0.00 179.25 180.63 3krc h ILE 69 N 0.76 1.26 -0.75 0.00 2.04 -0.89 0.06 117.51 119.98 3krc h ILE 69 Ca 0.10 -1.02 -0.06 0.00 1.00 0.00 0.00 64.86 64.89 3krc h ILE 69 Cb 0.74 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 3krc h ILE 69 CO 0.06 0.35 0.25 -0.74 0.00 0.00 0.00 178.15 178.07 3krc h HIS 70 N 0.57 1.19 -0.41 1.37 2.76 -0.81 -1.63 115.15 118.18 3krc h HIS 70 Ca 0.12 -0.11 -0.04 0.00 -2.20 0.00 0.00 60.37 58.14 3krc h HIS 70 Cb 0.48 -0.35 -0.02 0.00 1.55 0.00 0.00 27.41 29.08 3krc h HIS 70 CO 0.04 0.93 0.12 -0.07 -1.30 0.00 0.00 177.93 177.65 3krc h LEU 71 N 1.12 0.61 -0.83 0.26 3.38 -0.62 0.16 115.31 119.39 3krc h LEU 71 Ca 0.25 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3krc h LEU 71 Cb 0.28 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3krc h LEU 71 CO -0.01 0.67 0.53 0.58 0.09 0.00 0.00 178.44 180.29 3krc h VAL 72 N 0.53 1.22 -0.46 1.22 2.07 -0.84 -1.77 116.25 118.23 3krc h VAL 72 Ca 0.13 -0.44 -0.10 0.00 0.82 0.00 0.00 66.70 67.11 3krc h VAL 72 Cb 0.28 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 3krc h VAL 72 CO -0.00 0.22 -0.13 -0.74 0.02 0.00 0.00 177.57 176.94 3krc h HIS 73 N 1.13 0.94 -0.11 1.57 -0.00 -0.81 -2.27 115.15 115.61 3krc h HIS 73 Ca 0.30 -0.19 -0.01 0.00 -0.00 0.00 0.00 60.37 60.47 3krc h HIS 73 Cb -0.09 -0.24 -0.00 0.00 -0.00 0.00 0.00 27.41 27.08 3krc h HIS 73 CO -0.01 0.93 0.02 0.00 -0.00 0.00 0.00 177.93 178.87 3krc h ALA 74 N 1.08 0.15 -0.89 5.26 0.00 -0.13 -0.04 119.26 124.69 3krc h ALA 74 Ca 0.12 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.94 3krc h ALA 74 Cb 0.65 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 3krc h ALA 74 CO 0.05 -0.21 0.56 0.00 0.00 0.00 0.00 179.25 179.65 3krc h ALA 75 N 0.80 1.22 -0.56 0.00 0.00 -1.35 -1.37 119.26 118.01 3krc h ALA 75 Ca 0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3krc h ALA 75 Cb 0.27 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3krc h ALA 75 CO 0.00 0.34 0.13 0.00 0.00 0.00 0.00 179.25 179.73 3krc h ALA 76 N 1.41 1.18 -0.13 0.00 0.00 -0.95 -1.49 119.26 119.27 3krc h ALA 76 Ca 0.38 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3krc h ALA 76 Cb 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3krc h ALA 76 CO -0.16 0.56 0.07 -0.92 0.00 0.00 0.00 179.25 178.80 3krc h TYR 77 N 0.84 0.19 -0.07 0.00 3.20 0.05 -1.77 116.97 119.40 3krc h TYR 77 Ca 0.18 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 3krc h TYR 77 Cb 0.31 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.52 3krc h TYR 77 CO 0.02 0.22 0.04 0.28 -1.64 0.00 0.00 178.16 177.08 3krc h VAL 78 N 0.10 1.07 -0.77 1.81 2.07 -1.21 -2.86 116.25 116.47 3krc h VAL 78 Ca 0.05 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.37 3krc h VAL 78 Cb 0.10 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 3krc h VAL 78 CO -0.01 0.06 0.51 0.45 0.02 0.00 0.00 177.57 178.61 3krc h HIS 79 N 0.03 0.96 0.00 1.57 3.86 -1.17 -1.34 115.15 119.06 3krc h HIS 79 Ca 0.03 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 3krc h HIS 79 Cb 0.07 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 28.21 3krc h HIS 79 CO -0.05 0.60 -0.07 1.49 0.86 0.00 0.00 177.93 180.76 3krc h GLU 80 N 1.03 0.00 -0.43 2.45 4.81 -1.12 -2.65 114.58 118.67 3krc h GLU 80 Ca 0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 3krc h GLU 80 Cb -0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.29 3krc h GLU 80 CO -0.07 0.07 0.00 0.72 -0.73 0.00 0.00 179.01 179.00 3krc n HIS 81 N -3.53 0.57 -1.79 0.92 8.25 -0.54 -4.99 115.22 114.11 3krc n HIS 81 Ca -0.02 -0.44 -0.42 0.00 -0.26 0.00 0.00 57.72 56.58 3krc n HIS 81 Cb 0.20 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.26 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 -1.04 4.38 -0.13 2.41 1.43 -1.00 -4.91 118.68 119.82 3krc s LEU 82 Ca 0.31 2.74 -0.29 0.00 -1.03 0.00 0.00 54.13 55.86 3krc s LEU 82 Cb 0.16 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.74 3krc s LEU 82 CO 0.22 -0.94 1.91 -2.84 0.23 0.00 0.00 176.35 174.92 3krc s PRO 83 N 1.78 3.72 -0.09 1.29 0.02 -1.26 -4.97 135.00 135.49 3krc s PRO 83 Ca 0.75 2.09 -0.00 0.00 0.02 0.00 0.00 61.00 63.86 3krc s PRO 83 Cb -0.46 -4.17 -0.03 0.00 0.02 0.00 0.00 34.50 29.85 3krc s PRO 83 CO 0.33 -1.41 -0.06 -0.51 -0.33 0.00 0.00 177.00 175.02 3krc s LEU 84 N 5.85 3.21 0.10 -5.54 1.43 -1.26 -4.97 118.68 117.49 3krc s LEU 84 Ca 0.86 -0.04 -0.05 0.00 -1.03 0.00 0.00 54.13 53.87 3krc s LEU 84 Cb -0.33 -1.72 -0.21 0.00 0.03 0.00 0.00 46.19 43.96 3krc s LEU 84 CO 0.35 0.32 1.20 0.71 0.23 0.00 0.00 176.35 179.16 3krc h THR 85 N 4.45 1.45 0.00 5.49 1.35 -2.01 -3.33 112.91 120.31 3krc h THR 85 Ca -0.45 -2.80 0.00 0.00 -0.55 0.00 0.00 66.41 62.62 3krc h THR 85 Cb 1.18 2.74 0.00 0.00 -1.73 0.00 0.00 68.15 70.34 3krc h THR 85 CO 0.55 0.82 0.00 -0.90 -0.25 0.00 0.00 175.52 175.74 3krc n ASP 86 N -3.63 0.00 -3.52 5.36 5.68 -1.26 -4.89 116.55 114.29 3krc n ASP 86 Ca -0.08 -0.77 -0.21 0.00 -0.50 0.00 0.00 54.79 53.23 3krc n ASP 86 Cb 0.95 -0.07 0.05 0.00 -1.14 0.00 0.00 41.12 40.92 3krc n ASP 86 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3krc n GLY 87 N 1.00 -0.76 0.30 6.12 0.00 -1.25 -4.85 105.19 105.75 3krc n GLY 87 Ca 0.21 0.35 0.13 0.00 0.00 0.00 0.00 46.02 46.71 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 -3.02 1.25 -3.81 1.61 3.41 -1.26 -4.88 113.62 106.93 3krc n SER 88 Ca -0.17 -1.04 -0.12 0.00 -0.26 0.00 0.00 58.87 57.28 3krc n SER 88 Cb 0.64 0.22 -0.12 0.00 -0.26 0.00 0.00 64.21 64.69 3krc n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3krc s ARG 89 N -2.50 0.27 0.04 4.33 1.70 -1.26 -5.10 118.95 116.43 3krc s ARG 89 Ca 0.23 0.21 -0.35 0.00 -0.47 0.00 0.00 55.73 55.35 3krc s ARG 89 Cb 0.19 0.13 -0.13 0.00 -0.57 0.00 0.00 34.95 34.56 3krc s ARG 89 CO 0.53 -0.04 1.67 -0.35 -1.08 0.00 0.00 175.30 176.04 3krc n PRO 90 N 2.79 2.01 -1.01 3.89 -0.04 -1.26 -4.76 135.00 136.62 3krc n PRO 90 Ca -0.14 0.73 -0.36 0.00 -0.04 0.00 0.00 63.50 63.70 3krc n PRO 90 Cb 0.58 -2.51 -0.04 0.00 -0.04 0.00 0.00 33.50 31.49 3krc n PRO 90 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3krc n VAL 91 N 4.02 2.03 0.00 0.52 0.31 -1.26 -4.84 118.33 119.12 3krc n VAL 91 Ca 0.20 -1.55 0.00 0.00 -0.01 0.00 0.00 64.34 62.98 3krc n VAL 91 Cb 0.27 -2.25 0.00 0.00 -0.91 0.00 0.00 33.84 30.95 3krc n VAL 91 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3krc n SER 92 N 6.32 0.00 -0.13 4.52 3.41 -1.26 -4.60 113.62 121.88 3krc n SER 92 Ca 0.47 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 59.10 3krc n SER 92 Cb 0.31 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.31 3krc n SER 92 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3krc n LYS 93 N 0.00 -0.04 -2.22 4.33 4.81 -1.26 -3.07 118.16 120.70 3krc n LYS 93 Ca 0.00 0.57 -0.32 0.00 -0.87 0.00 0.00 58.31 57.69 3krc n LYS 93 Cb 0.00 -0.86 -0.04 0.00 0.02 0.00 0.00 35.03 34.15 3krc n LYS 93 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3krc s PRO 94 N -5.46 2.92 0.27 1.64 0.04 -1.26 -4.96 135.00 128.20 3krc s PRO 94 Ca -0.05 -0.79 -0.22 0.00 0.04 0.00 0.00 61.00 59.98 3krc s PRO 94 Cb 0.10 -5.21 -0.09 0.00 0.04 0.00 0.00 34.50 29.34 3krc s PRO 94 CO 0.29 -3.10 0.81 0.00 0.04 0.00 0.00 177.00 175.04 3krc s ALA 95 N 8.48 3.32 0.51 8.56 0.00 -1.18 -5.08 121.76 136.37 3krc s ALA 95 Ca 0.62 0.30 0.04 0.00 0.00 0.00 0.00 51.96 52.92 3krc s ALA 95 Cb -0.03 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 20.13 3krc s ALA 95 CO 0.00 0.26 0.23 0.96 0.00 0.00 0.00 175.76 177.21 3krc s ILE 96 N -1.61 1.61 0.43 0.00 -4.36 -1.26 -5.12 121.20 110.88 3krc s ILE 96 Ca 0.47 -1.70 -0.21 0.00 -0.26 0.00 0.00 60.65 58.95 3krc s ILE 96 Cb -0.17 -2.31 -0.11 0.00 1.25 0.00 0.00 42.46 41.13 3krc s ILE 96 CO 0.21 0.00 0.95 -1.10 0.24 0.00 0.00 174.94 175.24 3krc s GLN 97 N -4.07 4.23 -0.31 0.37 -1.52 -1.26 -5.06 119.66 112.03 3krc s GLN 97 Ca 0.26 1.12 -0.00 0.00 -1.95 0.00 0.00 55.36 54.78 3krc s GLN 97 Cb 0.00 -2.19 0.10 0.00 -0.22 0.00 0.00 33.01 30.70 3krc s GLN 97 CO 0.15 -0.02 0.09 -1.01 -0.25 0.00 0.00 175.29 174.25 3krc s HIS 98 N -2.17 1.97 0.34 0.91 3.76 -1.26 -5.00 115.29 113.85 3krc s HIS 98 Ca 0.62 -1.90 0.07 0.00 -0.15 0.00 0.00 55.06 53.69 3krc s HIS 98 Cb -0.09 -1.87 0.63 0.00 1.11 0.00 0.00 32.58 32.35 3krc s HIS 98 CO 0.13 -0.89 1.84 -0.22 -0.85 0.00 0.00 174.74 174.76 3krc h LYS 99 N 8.03 0.36 -5.90 1.40 3.64 -2.03 -3.45 116.57 118.60 3krc h LYS 99 Ca -0.12 -0.10 -0.53 0.00 -1.27 0.00 0.00 60.65 58.62 3krc h LYS 99 Cb 1.01 -0.04 -0.14 0.00 -0.41 0.00 0.00 32.23 32.65 3krc h LYS 99 CO 0.48 0.51 -0.75 0.71 -2.27 0.00 0.00 179.45 178.13 3krc s TYR 100 N -4.67 2.02 0.87 1.91 2.02 -1.26 -5.15 117.35 113.08 3krc s TYR 100 Ca -0.06 -0.45 -0.12 0.00 -0.37 0.00 0.00 57.07 56.08 3krc s TYR 100 Cb 0.15 -0.90 0.12 0.00 -0.40 0.00 0.00 41.96 40.92 3krc s TYR 100 CO 0.76 0.55 1.09 0.20 -1.57 0.00 0.00 175.55 176.58 3krc s GLY 101 N -3.42 1.62 0.27 0.71 0.00 -1.26 -4.78 107.32 100.46 3krc s GLY 101 Ca 0.26 -0.12 0.01 0.00 0.00 0.00 0.00 44.72 44.88 3krc s GLY 101 CO 0.11 0.36 1.76 -2.55 0.00 0.00 0.00 173.10 172.78 3krc h PRO 102 N -1.44 0.63 -0.49 2.90 0.11 -1.98 -0.87 132.00 130.84 3krc h PRO 102 Ca -0.49 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 3krc h PRO 102 Cb 1.28 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3krc h PRO 102 CO 0.56 0.41 0.11 -2.95 -0.21 0.00 0.00 178.00 175.93 3krc h ASN 103 N 0.64 0.76 -0.27 -2.05 -1.07 -1.98 0.19 115.58 111.80 3krc h ASN 103 Ca 0.50 -0.24 -0.11 0.00 0.07 0.00 0.00 56.30 56.52 3krc h ASN 103 Cb 0.73 -0.20 -0.01 0.00 -2.07 0.00 0.00 38.32 36.77 3krc h ASN 103 CO -0.38 0.80 -0.20 0.58 0.07 0.00 0.00 177.43 178.30 3krc h VAL 104 N 0.68 1.27 -0.06 6.14 2.07 -1.82 -2.37 116.25 122.16 3krc h VAL 104 Ca 0.15 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 3krc h VAL 104 Cb 0.34 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3krc h VAL 104 CO 0.00 0.43 0.00 -0.33 0.02 0.00 0.00 177.57 177.70 3krc h GLU 105 N 0.65 0.11 -0.12 1.57 5.08 -0.54 -1.07 114.58 120.27 3krc h GLU 105 Ca 0.09 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 3krc h GLU 105 Cb 0.70 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.88 3krc h GLU 105 CO 0.05 0.38 -0.28 1.25 -1.00 0.00 0.00 179.01 179.41 3krc h LEU 106 N -0.18 -0.88 -0.51 1.33 5.85 -0.62 -2.16 115.31 118.15 3krc h LEU 106 Ca 0.02 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3krc h LEU 106 Cb 0.33 0.38 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 3krc h LEU 106 CO 0.00 -0.33 0.29 -0.07 -0.34 0.00 0.00 178.44 177.99 3krc h LEU 107 N -0.36 0.62 -0.37 2.25 3.38 -1.41 -1.32 115.31 118.10 3krc h LEU 107 Ca 0.10 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3krc h LEU 107 Cb 0.51 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3krc h LEU 107 CO -0.32 0.51 0.14 0.74 0.09 0.00 0.00 178.44 179.60 3krc h THR 108 N 0.68 1.20 -0.31 0.22 2.02 -1.03 -1.43 112.91 114.25 3krc h THR 108 Ca 0.18 -0.61 0.06 0.00 0.77 0.00 0.00 66.41 66.81 3krc h THR 108 Cb 0.02 0.90 -0.06 0.00 -1.74 0.00 0.00 68.15 67.27 3krc h THR 108 CO -0.03 0.22 -0.09 1.23 0.37 0.00 0.00 175.52 177.21 3krc h GLY 109 N 0.45 0.20 1.21 2.16 0.00 -1.22 0.59 103.07 106.47 3krc h GLY 109 Ca 0.12 0.12 0.09 0.00 0.00 0.00 0.00 47.33 47.66 3krc h GLY 109 CO -0.01 -0.13 0.31 -0.55 0.00 0.00 0.00 176.54 176.16 3krc h ASP 110 N -0.02 0.00 0.51 0.19 3.32 -0.69 -1.92 116.42 117.81 3krc h ASP 110 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3krc h ASP 110 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3krc h ASP 110 CO -0.33 0.00 -1.23 0.61 -1.72 0.00 0.00 179.24 176.57 3krc n GLY 111 N -1.48 -1.24 0.15 2.75 0.00 0.17 -4.29 105.19 101.24 3krc n GLY 111 Ca 0.05 -0.38 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 3krc n GLY 111 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3krc h ILE 112 N 0.00 1.37 0.70 -0.61 2.04 0.43 -3.19 117.51 118.25 3krc h ILE 112 Ca 0.00 -1.59 -0.03 0.00 1.00 0.00 0.00 64.86 64.24 3krc h ILE 112 Cb 0.87 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 39.01 3krc h ILE 112 CO 0.00 0.47 -0.48 0.58 0.00 0.00 0.00 178.15 178.72 3krc h VAL 113 N 0.02 0.00 -0.73 1.67 2.07 -1.72 -2.17 116.25 115.39 3krc h VAL 113 Ca -0.00 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.72 3krc h VAL 113 Cb 0.91 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3krc h VAL 113 CO 0.07 0.00 0.52 1.55 0.02 0.00 0.00 177.57 179.73 3krc h PRO 114 N -1.11 0.07 -0.60 1.57 0.13 -1.76 0.11 132.00 130.42 3krc h PRO 114 Ca -0.09 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.00 3krc h PRO 114 Cb 0.91 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.99 3krc h PRO 114 CO 0.06 0.05 0.24 0.35 -0.23 0.00 0.00 178.00 178.47 3krc h PHE 115 N 0.08 0.87 -0.34 1.56 3.04 -1.39 0.86 116.94 121.61 3krc h PHE 115 Ca 0.35 -0.05 -0.05 0.00 3.98 0.00 0.00 57.97 62.20 3krc h PHE 115 Cb 1.29 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 39.52 3krc h PHE 115 CO -0.00 0.67 -0.01 0.78 -2.02 0.00 0.00 178.31 177.73 3krc h GLY 116 N 0.97 0.57 2.00 2.40 0.00 -0.36 -1.79 103.07 106.86 3krc h GLY 116 Ca 0.20 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 47.05 3krc h GLY 116 CO -0.02 0.32 -0.67 0.74 0.00 0.00 0.00 176.54 176.91 3krc h PHE 117 N 0.51 0.00 0.07 5.60 0.04 -0.99 -2.53 116.94 119.63 3krc h PHE 117 Ca 0.11 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.87 3krc h PHE 117 Cb 0.35 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.50 3krc h PHE 117 CO 0.01 0.67 -0.03 1.49 -0.60 0.00 0.00 178.31 179.85 3krc h GLU 118 N 0.00 -0.08 -0.30 1.51 4.81 -0.11 0.17 114.58 120.57 3krc h GLU 118 Ca -0.01 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.28 3krc h GLU 118 Cb 1.33 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.68 3krc h GLU 118 CO 0.09 0.13 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.41 3krc h LEU 119 N -0.30 -0.18 0.27 1.64 3.38 -1.37 0.43 115.31 119.18 3krc h LEU 119 Ca -0.01 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3krc h LEU 119 Cb 0.26 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3krc h LEU 119 CO 0.01 -0.05 -0.18 -0.07 0.09 0.00 0.00 178.44 178.24 3krc h LEU 120 N 0.06 -0.47 -0.88 1.67 3.38 -1.24 -1.57 115.31 116.25 3krc h LEU 120 Ca 0.15 0.03 0.19 0.00 0.09 0.00 0.00 57.88 58.33 3krc h LEU 120 Cb 0.21 0.14 -0.17 0.00 0.09 0.00 0.00 40.66 40.93 3krc h LEU 120 CO -0.27 -0.27 -0.17 0.00 0.09 0.00 0.00 178.44 177.82 3krc h ALA 121 N -1.59 0.67 0.00 1.53 0.00 -0.58 0.31 119.26 119.60 3krc h ALA 121 Ca -0.04 0.34 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3krc h ALA 121 Cb 0.35 0.64 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3krc h ALA 121 CO 0.02 -0.42 0.00 0.41 0.00 0.00 0.00 179.25 179.27 3krc n GLY 122 N -1.55 -0.87 0.37 0.00 0.00 0.13 -2.95 105.19 100.32 3krc n GLY 122 Ca 0.14 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.16 3krc n GLY 122 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3krc n SER 123 N -1.09 1.29 -4.68 1.61 3.41 0.11 -4.92 113.62 109.35 3krc n SER 123 Ca 0.16 -1.21 -0.46 0.00 -0.26 0.00 0.00 58.87 57.11 3krc n SER 123 Cb 0.12 0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 64.09 3krc n SER 123 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3krc n VAL 124 N -0.22 0.58 -3.38 -3.33 0.31 -1.15 -4.96 118.33 106.18 3krc n VAL 124 Ca 0.15 -0.10 -0.42 0.00 -0.01 0.00 0.00 64.34 63.96 3krc n VAL 124 Cb 0.36 -1.97 -0.09 0.00 -0.91 0.00 0.00 33.84 31.22 3krc n VAL 124 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3krc s ASP 125 N 3.92 6.16 0.26 4.52 -1.08 -1.26 -4.99 116.67 124.20 3krc s ASP 125 Ca 0.91 -0.63 -0.02 0.00 -0.52 0.00 0.00 52.55 52.29 3krc s ASP 125 Cb -0.62 -2.20 0.51 0.00 -1.46 0.00 0.00 42.92 39.15 3krc s ASP 125 CO 0.48 -0.48 1.76 1.55 0.52 0.00 0.00 175.17 179.01 3krc h PRO 126 N 8.64 0.61 -1.00 4.34 0.13 -1.99 -1.20 132.00 141.52 3krc h PRO 126 Ca -0.28 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3krc h PRO 126 Cb 1.12 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3krc h PRO 126 CO 0.75 0.40 0.00 0.00 -0.23 0.00 0.00 178.00 178.92 3krc n ALA 127 N -2.42 2.15 -3.69 -0.56 0.00 -1.26 -4.57 120.51 110.16 3krc n ALA 127 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.37 3krc n ALA 127 Cb 0.41 -1.00 -0.17 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.37 1.15 0.00 0.00 1.81 -0.46 -5.09 118.95 115.99 3krc s ARG 128 Ca 0.00 -0.17 0.00 0.00 -1.72 0.00 0.00 55.73 53.84 3krc s ARG 128 Cb 0.00 -1.17 0.00 0.00 -0.45 0.00 0.00 34.95 33.33 3krc s ARG 128 CO 0.00 -0.15 0.49 2.41 -0.68 0.00 0.00 175.30 177.37 3krc n THR 129 N 4.44 0.00 0.94 0.02 -1.04 -1.26 -3.92 114.28 113.45 3krc n THR 129 Ca -0.18 0.96 0.05 0.00 -2.04 0.00 0.00 64.05 62.84 3krc n THR 129 Cb 0.51 -1.88 0.29 0.00 -1.82 0.00 0.00 70.33 67.43 3krc n THR 129 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3krc n ASP 130 N -0.60 0.00 -0.08 8.00 8.00 -1.26 -4.35 116.55 126.26 3krc n ASP 130 Ca 0.00 -0.63 -0.12 0.00 0.71 0.00 0.00 54.79 54.75 3krc n ASP 130 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 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 0.00 -1.55 -0.96 -2.24 5.19 -1.88 -0.82 116.42 114.16 3krc h ASP 131 Ca 0.00 0.20 0.28 0.00 -0.62 0.00 0.00 57.03 56.89 3krc h ASP 131 Cb 0.00 0.62 -0.04 0.00 0.18 0.00 0.00 39.33 40.10 3krc h ASP 131 CO 0.00 -0.37 0.72 -0.65 -3.12 0.00 0.00 179.24 175.82 3krc h PRO 132 N -0.39 0.00 0.14 3.56 0.11 -1.86 -0.49 132.00 133.07 3krc h PRO 132 Ca 0.05 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.87 3krc h PRO 132 Cb 0.53 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.65 3krc h PRO 132 CO -0.46 0.00 -1.31 -0.44 -0.21 0.00 0.00 178.00 175.58 3krc h ASP 133 N 0.00 0.48 -0.01 -2.05 3.32 -1.49 -1.78 116.42 114.89 3krc h ASP 133 Ca 0.46 -0.53 -0.24 0.00 0.02 0.00 0.00 57.03 56.74 3krc h ASP 133 Cb 1.88 -0.16 0.02 0.00 0.22 0.00 0.00 39.33 41.30 3krc h ASP 133 CO -0.00 1.42 -0.92 0.03 -1.72 0.00 0.00 179.24 178.04 3krc h ARG 134 N 0.08 0.64 -0.21 3.56 3.08 -0.70 -2.03 114.38 118.79 3krc h ARG 134 Ca -0.16 -0.67 -0.09 0.00 0.07 0.00 0.00 59.98 59.12 3krc h ARG 134 Cb 2.01 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 32.23 3krc h ARG 134 CO 0.21 1.27 -0.25 0.82 -1.07 0.00 0.00 179.97 180.95 3krc h ILE 135 N 0.27 1.26 -0.19 2.04 2.04 -1.21 0.81 117.51 122.53 3krc h ILE 135 Ca -0.11 -1.21 -0.07 0.00 1.00 0.00 0.00 64.86 64.47 3krc h ILE 135 Cb 1.59 1.37 -0.00 0.00 -0.74 0.00 0.00 36.82 39.03 3krc h ILE 135 CO 0.18 0.38 -0.14 0.25 0.00 0.00 0.00 178.15 178.83 3krc h LEU 136 N 0.35 0.45 -0.98 1.44 5.85 -1.32 -1.83 115.31 119.28 3krc h LEU 136 Ca 0.05 -0.44 -0.07 0.00 0.84 0.00 0.00 57.88 58.27 3krc h LEU 136 Cb 0.63 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3krc h LEU 136 CO 0.05 0.80 0.03 -0.09 -0.34 0.00 0.00 178.44 178.88 3krc h ARG 137 N 0.11 0.77 -0.20 1.25 2.43 -0.88 -2.27 114.38 115.58 3krc h ARG 137 Ca 0.04 -0.19 -0.10 0.00 -0.81 0.00 0.00 59.98 58.91 3krc h ARG 137 Cb 0.65 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 3krc h ARG 137 CO 0.04 0.76 -0.33 0.28 -1.51 0.00 0.00 179.97 179.21 3krc h VAL 138 N 0.73 1.28 -0.04 0.20 2.07 -0.72 -1.74 116.25 118.03 3krc h VAL 138 Ca 0.15 -1.39 -0.11 0.00 0.82 0.00 0.00 66.70 66.17 3krc h VAL 138 Cb 0.40 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 3krc h VAL 138 CO 0.01 0.43 -0.49 0.40 0.02 0.00 0.00 177.57 177.95 3krc h ILE 139 N 0.35 1.35 -0.17 4.57 2.04 -0.78 -0.37 117.51 124.50 3krc h ILE 139 Ca 0.04 -1.69 -0.21 0.00 1.00 0.00 0.00 64.86 64.01 3krc h ILE 139 Cb 0.75 1.87 0.01 0.00 -0.74 0.00 0.00 36.82 38.70 3krc h ILE 139 CO 0.06 0.49 -0.70 0.40 0.00 0.00 0.00 178.15 178.40 3krc h ILE 140 N 0.08 1.29 0.08 -0.67 2.04 -1.14 -2.16 117.51 117.02 3krc h ILE 140 Ca 0.00 -1.90 -0.00 0.00 1.00 0.00 0.00 64.86 63.96 3krc h ILE 140 Cb 0.89 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 3krc h ILE 140 CO 0.07 0.60 -0.04 -0.33 0.00 0.00 0.00 178.15 178.45 3krc h GLU 141 N 0.51 -0.10 -0.22 2.37 4.39 -0.93 -1.06 114.58 119.54 3krc h GLU 141 Ca -0.04 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 3krc h GLU 141 Cb 1.32 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.99 3krc h GLU 141 CO 0.15 0.12 0.11 0.82 -1.16 0.00 0.00 179.01 179.04 3krc h ILE 142 N -0.31 1.13 0.00 3.13 2.04 -1.13 -0.90 117.51 121.47 3krc h ILE 142 Ca -0.01 -0.36 -0.08 0.00 1.00 0.00 0.00 64.86 65.41 3krc h ILE 142 Cb 0.26 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 3krc h ILE 142 CO 0.02 0.12 -0.38 0.77 0.00 0.00 0.00 178.15 178.68 3krc h SER 143 N 0.23 0.00 -0.01 1.72 4.64 -1.45 0.17 113.55 118.85 3krc h SER 143 Ca 0.08 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.23 3krc h SER 143 Cb 0.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3krc h SER 143 CO -0.01 0.38 -0.56 0.03 -0.87 0.00 0.00 176.83 175.80 3krc h ARG 144 N 0.00 0.60 0.00 4.77 3.08 -0.85 -2.01 114.38 119.97 3krc h ARG 144 Ca -0.00 -0.38 -0.13 0.00 0.07 0.00 0.00 59.98 59.53 3krc h ARG 144 Cb 0.68 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 3krc h ARG 144 CO 0.05 1.00 -0.62 0.00 -1.07 0.00 0.00 179.97 179.33 3krc h ALA 145 N 0.92 0.65 -0.24 0.04 0.00 -0.48 -2.43 119.26 117.72 3krc h ALA 145 Ca 0.01 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3krc h ALA 145 Cb 1.12 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3krc h ALA 145 CO 0.11 0.77 0.00 0.41 0.00 0.00 0.00 179.25 180.54 3krc n GLY 146 N 1.08 0.72 1.61 0.00 0.00 0.53 -0.39 105.19 108.73 3krc n GLY 146 Ca 0.01 -0.51 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 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 1.23 1.47 0.34 -0.02 0.00 -0.76 -4.52 105.19 102.93 3krc n GLY 147 Ca 0.17 -2.10 0.18 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.42 1.61 0.13 -1.88 0.21 132.00 131.66 3krc h PRO 148 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 3krc h PRO 148 Cb 0.51 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.64 3krc h PRO 148 CO 0.15 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.31 3krc n GLU 149 N -3.47 2.44 0.00 0.86 1.02 -1.26 -3.41 120.64 116.82 3krc n GLU 149 Ca 0.01 -2.18 0.00 0.00 -0.02 0.00 0.00 57.16 54.97 3krc n GLU 149 Cb 0.33 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 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 1.14 1.37 0.33 0.62 0.00 0.73 -4.80 105.19 104.58 3krc n GLY 150 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 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 0.04 -0.93 1.61 4.05 -0.73 -1.29 114.93 117.68 3krc h MET 151 Ca 0.00 -0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.49 3krc h MET 151 Cb 0.00 -0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 30.73 3krc h MET 151 CO 0.00 0.02 0.60 0.82 0.23 0.00 0.00 176.91 178.59 3krc h ILE 152 N 0.04 1.05 -0.31 1.77 2.04 -1.77 -0.90 117.51 119.43 3krc h ILE 152 Ca 0.54 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.99 3krc h ILE 152 Cb 1.05 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 3krc h ILE 152 CO -0.86 0.19 -0.03 0.28 0.00 0.00 0.00 178.15 177.73 3krc h SER 153 N 1.04 0.45 -0.17 1.72 0.02 -1.25 -0.40 113.55 114.95 3krc h SER 153 Ca 0.41 -0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 61.17 3krc h SER 153 Cb 0.23 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 3krc h SER 153 CO -0.16 0.53 -0.29 1.23 -1.14 0.00 0.00 176.83 177.00 3krc h GLY 154 N 0.82 0.55 1.49 -3.77 0.00 -1.18 -0.32 103.07 100.67 3krc h GLY 154 Ca 0.10 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 3krc h GLY 154 CO 0.01 0.57 0.17 1.41 0.00 0.00 0.00 176.54 178.70 3krc h LEU 155 N 0.15 0.59 0.05 3.11 3.38 -1.02 0.14 115.31 121.71 3krc h LEU 155 Ca 0.01 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3krc h LEU 155 Cb 0.87 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3krc h LEU 155 CO 0.07 0.55 -0.02 -0.74 0.09 0.00 0.00 178.44 178.38 3krc h HIS 156 N 0.65 -0.06 0.00 1.13 2.76 -1.01 -3.21 115.15 115.40 3krc h HIS 156 Ca 0.16 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 3krc h HIS 156 Cb 0.15 0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.13 3krc h HIS 156 CO 0.01 0.55 -0.07 0.00 -1.30 0.00 0.00 177.93 177.12 3krc h ARG 157 N -0.78 0.00 -0.24 5.26 2.47 -0.96 -2.42 114.38 117.71 3krc h ARG 157 Ca -0.01 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.73 3krc h ARG 157 Cb 0.64 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.95 3krc h ARG 157 CO 0.01 0.07 0.16 1.49 0.56 0.00 0.00 179.97 182.26 3krc h GLU 158 N 0.00 0.24 0.00 0.04 4.81 -0.96 -2.22 114.58 116.48 3krc h GLU 158 Ca -0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3krc h GLU 158 Cb 0.44 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.77 3krc h GLU 158 CO 0.01 0.16 0.00 0.39 -0.73 0.00 0.00 179.01 178.84 3krc n GLU 159 N -4.50 0.09 -0.01 1.92 1.02 -0.91 -2.10 120.64 116.15 3krc n GLU 159 Ca 0.01 0.35 0.13 0.00 -0.02 0.00 0.00 57.16 57.63 3krc n GLU 159 Cb 0.13 -1.68 0.31 0.00 -0.02 0.00 0.00 31.44 30.18 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 -1.85 2.01 -2.50 3.49 1.02 -0.84 -4.65 120.64 117.31 3krc n GLU 160 Ca 0.03 -1.46 -0.42 0.00 -0.02 0.00 0.00 57.16 55.28 3krc n GLU 160 Cb 0.19 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.11 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 -1.98 4.26 -0.24 -3.67 1.01 -0.89 -5.02 121.20 114.67 3krc s ILE 161 Ca 0.33 1.63 0.02 0.00 0.00 0.00 0.00 60.65 62.63 3krc s ILE 161 Cb 0.20 -4.04 0.05 0.00 0.01 0.00 0.00 42.46 38.68 3krc s ILE 161 CO 0.32 0.13 -0.11 -0.69 0.00 0.00 0.00 174.94 174.59 3krc s VAL 162 N 1.01 1.96 0.00 2.92 1.01 -1.26 -5.05 120.40 120.99 3krc s VAL 162 Ca 0.57 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 61.15 3krc s VAL 162 Cb -0.27 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.05 3krc s VAL 162 CO 0.29 0.05 0.00 -0.90 0.00 0.00 0.00 175.10 174.54 3krc n ASP 163 N 4.53 0.00 -4.08 3.32 3.85 -1.26 -1.06 116.55 121.85 3krc n ASP 163 Ca -0.14 0.00 -0.46 0.00 -0.71 0.00 0.00 54.79 53.48 3krc n ASP 163 Cb 0.44 0.00 0.02 0.00 -1.35 0.00 0.00 41.12 40.23 3krc n ASP 163 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3krc n GLY 164 N 0.00 -0.81 0.00 6.12 0.00 -1.26 -4.71 105.19 104.54 3krc n GLY 164 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.01 0.00 -4.68 1.61 4.05 -0.22 -5.09 115.26 108.92 3krc n ASN 165 Ca -0.11 -0.48 -0.35 0.00 0.45 0.00 0.00 54.58 54.09 3krc n ASN 165 Cb 0.54 0.00 -0.09 0.00 1.23 0.00 0.00 39.78 41.46 3krc n ASN 165 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 3krc s THR 166 N 0.00 4.25 0.68 -0.44 2.01 -1.13 -4.89 115.64 116.11 3krc s THR 166 Ca 0.00 -0.31 -0.14 0.00 0.31 0.00 0.00 61.69 61.55 3krc s THR 166 Cb 0.00 -2.80 0.01 0.00 0.01 0.00 0.00 72.50 69.72 3krc s THR 166 CO 0.00 0.58 1.10 -0.94 -0.69 0.00 0.00 174.62 174.66 3krc s SER 167 N -0.97 5.08 0.38 3.53 1.04 -1.26 -4.90 113.70 116.60 3krc s SER 167 Ca 0.14 1.91 0.05 0.00 0.48 0.00 0.00 55.95 58.53 3krc s SER 167 Cb -0.11 -2.54 0.75 0.00 0.10 0.00 0.00 66.02 64.21 3krc s SER 167 CO 0.03 -1.65 2.00 -0.07 0.98 0.00 0.00 173.24 174.53 3krc h LEU 168 N -0.22 0.53 -0.54 2.42 3.38 -1.99 -2.24 115.31 116.64 3krc h LEU 168 Ca -0.46 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 3krc h LEU 168 Cb 1.24 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 3krc h LEU 168 CO 0.54 0.44 0.28 0.44 0.09 0.00 0.00 178.44 180.22 3krc h ASP 169 N 0.60 0.70 -0.07 -0.43 3.32 -1.99 0.81 116.42 119.37 3krc h ASP 169 Ca 0.15 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3krc h ASP 169 Cb 0.04 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 3krc h ASP 169 CO -0.02 0.62 -0.01 0.15 -1.72 0.00 0.00 179.24 178.25 3krc h PHE 170 N 0.73 0.14 -0.47 4.55 3.57 -1.88 -2.17 116.94 121.42 3krc h PHE 170 Ca 0.19 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.68 3krc h PHE 170 Cb 0.09 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 3krc h PHE 170 CO -0.01 0.45 0.29 0.82 -2.23 0.00 0.00 178.31 177.64 3krc h ILE 171 N -0.21 1.07 -0.95 1.41 2.04 -1.33 0.58 117.51 120.11 3krc h ILE 171 Ca 0.02 -0.20 0.09 0.00 1.00 0.00 0.00 64.86 65.76 3krc h ILE 171 Cb 0.41 0.43 -0.07 0.00 -0.74 0.00 0.00 36.82 36.85 3krc h ILE 171 CO 0.01 0.11 0.60 -0.08 0.00 0.00 0.00 178.15 178.78 3krc h GLU 172 N 0.58 1.00 0.08 2.37 4.81 -0.83 0.69 114.58 123.29 3krc h GLU 172 Ca 0.18 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3krc h GLU 172 Cb -0.01 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.15 3krc h GLU 172 CO -0.07 0.66 -0.04 -0.92 -0.73 0.00 0.00 179.01 177.91 3krc h TYR 173 N 1.03 -0.11 -0.77 0.92 3.20 -0.67 0.10 116.97 120.68 3krc h TYR 173 Ca 0.44 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.43 3krc h TYR 173 Cb 0.30 0.03 -0.08 0.00 1.54 0.00 0.00 36.73 38.52 3krc h TYR 173 CO -0.02 0.15 0.37 0.28 -1.64 0.00 0.00 178.16 177.30 3krc h VAL 174 N -0.35 0.76 -0.06 1.81 2.07 -0.27 -0.36 116.25 119.85 3krc h VAL 174 Ca -0.01 -0.20 -0.11 0.00 0.82 0.00 0.00 66.70 67.20 3krc h VAL 174 Cb 0.30 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3krc h VAL 174 CO 0.02 0.10 -0.46 0.00 0.02 0.00 0.00 177.57 177.26 3krc h LYS 176 N 0.11 0.47 -0.13 0.00 3.64 0.45 0.81 116.57 121.93 3krc h LYS 176 Ca 0.01 -0.15 -0.05 0.00 -1.27 0.00 0.00 60.65 59.19 3krc h LYS 176 Cb 0.86 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.63 3krc h LYS 176 CO 0.07 0.63 -0.12 0.87 -2.27 0.00 0.00 179.45 178.63 3krc h LYS 177 N 0.26 0.30 -0.28 1.90 1.79 -0.99 0.85 116.57 120.40 3krc h LYS 177 Ca 0.08 -0.16 -0.13 0.00 -2.18 0.00 0.00 60.65 58.26 3krc h LYS 177 Cb 0.41 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.06 3krc h LYS 177 CO 0.01 0.70 -0.33 -0.22 -1.08 0.00 0.00 179.45 178.53 3krc h LYS 178 N -0.08 0.72 0.00 3.15 3.64 -0.95 -3.23 116.57 119.81 3krc h LYS 178 Ca 0.02 -0.40 -0.17 0.00 -1.27 0.00 0.00 60.65 58.83 3krc h LYS 178 Cb 0.64 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.45 3krc h LYS 178 CO 0.03 1.01 -1.57 0.66 -2.27 0.00 0.00 179.45 177.31 3krc n TYR 179 N -4.23 0.00 -0.21 1.91 4.02 0.10 -4.73 117.16 114.02 3krc n TYR 179 Ca -0.04 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.81 3krc n TYR 179 Cb 0.50 -0.37 0.03 0.00 -0.02 0.00 0.00 39.34 39.48 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 -0.31 0.08 2.00 2.72 0.00 0.82 -1.35 103.07 107.04 3krc h GLY 180 Ca -0.26 0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 3krc h GLY 180 CO -0.15 -0.23 -0.10 0.83 0.00 0.00 0.00 176.54 176.89 3krc h GLU 181 N -0.11 0.00 0.17 4.80 4.39 -1.26 -0.31 114.58 122.26 3krc h GLU 181 Ca 0.26 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.68 3krc h GLU 181 Cb 0.54 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.22 3krc h GLU 181 CO -0.68 0.10 -1.19 0.52 -1.16 0.00 0.00 179.01 176.60 3krc h MET 182 N 0.00 0.50 -0.06 2.33 2.86 -1.55 -0.92 114.93 118.09 3krc h MET 182 Ca -0.00 -0.77 -0.00 0.00 -2.06 0.00 0.00 59.70 56.87 3krc h MET 182 Cb 0.18 0.27 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 3krc h MET 182 CO 0.01 1.36 0.04 0.45 1.06 0.00 0.00 176.91 179.82 3krc h HIS 183 N 0.04 0.09 -0.41 -0.22 3.86 -1.11 0.88 115.15 118.28 3krc h HIS 183 Ca -0.20 -0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.09 3krc h HIS 183 Cb 1.91 -0.03 -0.08 0.00 1.06 0.00 0.00 27.41 30.28 3krc h HIS 183 CO 0.14 0.13 -0.10 0.00 0.86 0.00 0.00 177.93 178.97 3krc h ALA 184 N 0.95 0.28 -0.92 2.45 0.00 -1.10 0.15 119.26 121.07 3krc h ALA 184 Ca 0.02 0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.13 3krc h ALA 184 Cb 0.07 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3krc h ALA 184 CO -0.00 -0.45 0.60 0.00 0.00 0.00 0.00 179.25 179.40 3krc h GLY 186 N 1.12 0.66 0.76 0.00 0.00 0.17 -0.09 103.07 105.70 3krc h GLY 186 Ca 0.37 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 3krc h GLY 186 CO -0.12 0.57 -0.18 0.00 0.00 0.00 0.00 176.54 176.81 3krc h ALA 187 N 0.72 -0.51 -0.62 3.60 0.00 -0.74 -1.84 119.26 119.86 3krc h ALA 187 Ca 0.05 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 54.91 3krc h ALA 187 Cb 0.73 0.20 -0.12 0.00 0.00 0.00 0.00 17.79 18.59 3krc h ALA 187 CO 0.05 -0.66 -0.24 0.00 0.00 0.00 0.00 179.25 178.39 3krc h ALA 188 N -0.24 0.21 0.00 0.00 0.00 -1.17 0.14 119.26 118.20 3krc h ALA 188 Ca -0.05 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3krc h ALA 188 Cb 0.51 0.63 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3krc h ALA 188 CO 0.09 -0.54 -0.00 0.00 0.00 0.00 0.00 179.25 178.79 3krc h GLY 190 N -0.10 0.84 0.01 0.00 0.00 -0.92 0.23 103.07 103.13 3krc h GLY 190 Ca -0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 3krc h GLY 190 CO 0.00 0.08 -0.02 0.00 0.00 0.00 0.00 176.54 176.60 3krc h ALA 191 N 1.34 -0.71 -0.54 3.60 0.00 -0.65 0.16 119.26 122.47 3krc h ALA 191 Ca 0.27 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.23 3krc h ALA 191 Cb 0.24 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 3krc h ALA 191 CO -0.21 -0.72 -0.32 -0.89 0.00 0.00 0.00 179.25 177.11 3krc n ILE 192 N -2.41 -0.36 0.16 0.00 5.41 -0.11 0.10 119.36 122.15 3krc n ILE 192 Ca -0.00 1.56 0.13 0.00 1.00 0.00 0.00 62.75 65.44 3krc n ILE 192 Cb 0.01 -1.96 0.68 0.00 -0.71 0.00 0.00 39.64 37.67 3krc n ILE 192 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3krc h LEU 193 N 0.00 0.00 -0.35 1.39 3.38 -0.73 0.36 115.31 119.37 3krc h LEU 193 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3krc h LEU 193 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3krc h LEU 193 CO -0.50 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.64 3krc n GLY 194 N -1.56 -0.56 2.62 0.83 0.00 0.29 -4.90 105.19 101.91 3krc n GLY 194 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.68 1.35 3.11 -0.02 0.00 0.12 -3.43 105.19 107.00 3krc n GLY 195 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 3krc n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3krc n ALA 196 N 0.41 -2.74 -2.18 4.61 0.00 -1.15 -5.00 120.51 114.46 3krc n ALA 196 Ca 0.00 -1.17 -0.21 0.00 0.00 0.00 0.00 53.44 52.06 3krc n ALA 196 Cb 0.00 -1.10 -0.01 0.00 0.00 0.00 0.00 19.45 18.35 3krc n ALA 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3krc s ALA 197 N -2.12 4.31 0.35 0.00 0.00 -1.26 -4.84 121.76 118.19 3krc s ALA 197 Ca 0.43 -1.79 0.04 0.00 0.00 0.00 0.00 51.96 50.64 3krc s ALA 197 Cb -0.06 -1.15 0.65 0.00 0.00 0.00 0.00 23.12 22.57 3krc s ALA 197 CO 0.51 -0.37 1.96 0.93 0.00 0.00 0.00 175.76 178.79 3krc h GLU 198 N 0.78 0.65 -0.40 0.00 4.39 -1.99 -2.55 114.58 115.47 3krc h GLU 198 Ca -0.39 -0.08 -0.10 0.00 0.34 0.00 0.00 59.36 59.13 3krc h GLU 198 Cb 1.28 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 3krc h GLU 198 CO 0.53 0.52 -0.16 1.49 -1.16 0.00 0.00 179.01 180.23 3krc h GLU 199 N 0.65 0.81 0.54 2.33 4.57 -1.98 -1.48 114.58 120.02 3krc h GLU 199 Ca 0.16 -0.34 -0.03 0.00 -1.18 0.00 0.00 59.36 57.98 3krc h GLU 199 Cb 0.10 -0.03 0.01 0.00 -0.16 0.00 0.00 28.75 28.67 3krc h GLU 199 CO -0.02 0.97 -0.26 0.93 -1.18 0.00 0.00 179.01 179.45 3krc h GLU 200 N 0.62 -0.69 -0.93 1.92 5.08 -1.93 -2.18 114.58 116.46 3krc h GLU 200 Ca 0.09 0.05 0.16 0.00 -1.00 0.00 0.00 59.36 58.66 3krc h GLU 200 Cb 0.70 0.16 -0.16 0.00 0.50 0.00 0.00 28.75 29.95 3krc h GLU 200 CO 0.05 -0.39 -0.32 -0.89 -1.00 0.00 0.00 179.01 176.47 3krc n ILE 201 N -5.31 -0.46 0.29 3.13 5.41 -0.98 0.17 119.36 121.62 3krc n ILE 201 Ca -0.11 2.17 0.17 0.00 1.00 0.00 0.00 62.75 65.98 3krc n ILE 201 Cb 0.33 -2.92 0.90 0.00 -0.71 0.00 0.00 39.64 37.24 3krc n ILE 201 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 3krc h GLN 202 N 0.00 0.00 0.07 0.38 5.75 -1.07 0.42 115.11 120.66 3krc h GLN 202 Ca 0.37 0.00 -0.35 0.00 -0.15 0.00 0.00 58.65 58.52 3krc h GLN 202 Cb 0.60 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.12 3krc h GLN 202 CO -0.94 0.05 -2.00 1.63 -2.65 0.00 0.00 178.83 174.92 3krc n LYS 203 N -3.43 0.71 0.00 1.69 4.76 0.45 -2.28 118.16 120.07 3krc n LYS 203 Ca -0.02 0.24 -0.02 0.00 -2.87 0.00 0.00 58.31 55.64 3krc n LYS 203 Cb 0.17 -1.70 0.24 0.00 -1.84 0.00 0.00 35.03 31.90 3krc n LYS 203 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3krc h LEU 204 N 0.04 0.50 0.12 -0.35 3.38 -0.41 0.15 115.31 118.74 3krc h LEU 204 Ca -0.41 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.42 3krc h LEU 204 Cb 2.03 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.64 3krc h LEU 204 CO 0.06 0.67 -0.06 -0.09 0.09 0.00 0.00 178.44 179.11 3krc h ARG 205 N 0.47 -0.15 -0.74 1.13 2.43 -1.02 0.17 114.38 116.67 3krc h ARG 205 Ca 0.08 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.29 3krc h ARG 205 Cb 0.52 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.06 3krc h ARG 205 CO 0.03 0.10 0.49 -0.91 -1.51 0.00 0.00 179.97 178.17 3krc h ASN 206 N -0.39 0.79 0.47 -3.80 4.21 -1.07 0.39 115.58 116.17 3krc h ASN 206 Ca -0.02 -0.01 -0.02 0.00 1.21 0.00 0.00 56.30 57.46 3krc h ASN 206 Cb 0.32 -0.19 0.00 0.00 -1.12 0.00 0.00 38.32 37.34 3krc h ASN 206 CO 0.03 0.55 -0.24 0.15 -1.29 0.00 0.00 177.43 176.62 3krc h PHE 207 N 0.92 -0.63 -0.72 1.19 3.57 -0.32 -2.41 116.94 118.53 3krc h PHE 207 Ca 0.29 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.93 3krc h PHE 207 Cb 0.02 0.21 -0.11 0.00 2.79 0.00 0.00 35.95 38.87 3krc h PHE 207 CO -0.00 -0.39 0.16 0.78 -2.23 0.00 0.00 178.31 176.64 3krc h GLY 208 N -0.66 0.98 0.43 2.40 0.00 0.25 0.11 103.07 106.58 3krc h GLY 208 Ca -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.24 3krc h GLY 208 CO 0.09 -0.19 -0.44 -2.00 0.00 0.00 0.00 176.54 174.00 3krc h LEU 209 N 0.26 -1.24 -0.45 3.11 5.85 -0.82 0.24 115.31 122.26 3krc h LEU 209 Ca 0.40 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 59.23 3krc h LEU 209 Cb 0.67 0.43 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 3krc h LEU 209 CO -0.50 -0.55 0.26 1.88 -0.34 0.00 0.00 178.44 179.19 3krc h TYR 210 N -0.80 0.60 -0.09 1.25 0.99 -0.85 -0.18 116.97 117.89 3krc h TYR 210 Ca -0.02 -0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.70 3krc h TYR 210 Cb 0.75 -0.19 -0.00 0.00 1.00 0.00 0.00 36.73 38.28 3krc h TYR 210 CO -0.29 0.43 0.04 0.37 -0.00 0.00 0.00 178.16 178.71 3krc h GLN 211 N 0.59 0.14 -0.43 4.88 -0.00 -0.70 0.81 115.11 120.40 3krc h GLN 211 Ca 0.16 -0.02 0.02 0.00 -0.00 0.00 0.00 58.65 58.81 3krc h GLN 211 Cb 0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 27.48 27.43 3krc h GLN 211 CO -0.03 0.22 0.24 0.78 0.00 0.00 0.00 178.83 180.05 3krc h GLY 212 N 0.02 0.60 0.94 2.39 0.00 -0.43 0.33 103.07 106.92 3krc h GLY 212 Ca 0.03 -0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.20 3krc h GLY 212 CO -0.00 0.14 0.39 -0.84 0.00 0.00 0.00 176.54 176.23 3krc h THR 213 N 0.49 1.12 -0.52 4.70 2.02 -0.79 0.26 112.91 120.19 3krc h THR 213 Ca 0.18 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 67.05 3krc h THR 213 Cb 0.04 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 66.70 3krc h THR 213 CO -0.10 0.14 0.18 0.25 0.37 0.00 0.00 175.52 176.36 3krc h LEU 214 N 0.78 0.74 -0.64 2.58 5.85 -0.10 -1.93 115.31 122.59 3krc h LEU 214 Ca 0.23 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 3krc h LEU 214 Cb -0.04 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 3krc h LEU 214 CO -0.07 0.74 0.17 -0.09 -0.34 0.00 0.00 178.44 178.85 3krc h ARG 215 N 0.70 1.01 -0.32 1.25 9.65 0.06 -1.53 114.38 125.20 3krc h ARG 215 Ca 0.17 -0.23 -0.06 0.00 -1.10 0.00 0.00 59.98 58.76 3krc h ARG 215 Cb 0.25 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.67 3krc h ARG 215 CO -0.01 0.90 -0.05 0.78 2.80 0.00 0.00 179.97 184.39 3krc h GLY 216 N 0.93 0.56 0.98 2.80 0.00 -0.71 -0.33 103.07 107.29 3krc h GLY 216 Ca 0.20 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 3krc h GLY 216 CO -0.00 0.33 0.15 -0.33 0.00 0.00 0.00 176.54 176.69 3krc h MET 217 N 0.49 0.80 -0.46 4.80 2.86 -0.86 -2.30 114.93 120.26 3krc h MET 217 Ca 0.10 -0.18 0.01 0.00 -2.06 0.00 0.00 59.70 57.57 3krc h MET 217 Cb 0.40 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 3krc h MET 217 CO 0.02 0.75 0.30 0.52 1.06 0.00 0.00 176.91 179.56 3krc h MET 218 N 0.70 0.59 0.00 1.72 2.07 -0.71 -1.62 114.93 117.68 3krc h MET 218 Ca 0.16 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.76 3krc h MET 218 Cb 0.29 -0.13 0.00 0.00 -1.87 0.00 0.00 31.60 29.89 3krc h MET 218 CO -0.00 0.39 0.00 0.39 1.07 0.00 0.00 176.91 178.76 3krc n GLU 219 N -4.78 0.33 0.00 1.72 1.02 -0.19 -2.45 120.64 116.29 3krc n GLU 219 Ca 0.02 0.09 0.03 0.00 -0.02 0.00 0.00 57.16 57.28 3krc n GLU 219 Cb 0.03 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.93 3krc n GLU 219 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3krc n MET 220 N -1.19 4.11 0.00 3.49 2.81 -0.73 -4.45 117.12 121.16 3krc n MET 220 Ca 0.09 -0.15 0.08 0.00 -1.81 0.00 0.00 57.70 55.92 3krc n MET 220 Cb 0.11 -0.86 0.46 0.00 -0.71 0.00 0.00 33.22 32.22 3krc n MET 220 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 3krc n LYS 221 N -0.91 0.41 -0.26 0.03 2.85 -0.69 -1.09 118.16 118.51 3krc n LYS 221 Ca 0.02 0.05 0.07 0.00 -1.05 0.00 0.00 58.31 57.40 3krc n LYS 221 Cb 0.11 -1.50 0.21 0.00 -0.65 0.00 0.00 35.03 33.20 3krc n LYS 221 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3krc n ASN 222 N -1.11 3.32 0.00 -5.58 3.02 -1.26 -4.07 115.26 109.58 3krc n ASN 222 Ca 0.11 -2.07 0.00 0.00 -0.03 0.00 0.00 54.58 52.59 3krc n ASN 222 Cb 0.08 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 3krc n ASN 222 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3krc n SER 223 N 0.78 0.37 -3.00 6.41 7.64 -0.25 -4.94 113.62 120.63 3krc n SER 223 Ca 0.16 -0.02 -0.14 0.00 1.01 0.00 0.00 58.87 59.88 3krc n SER 223 Cb 0.52 0.10 0.02 0.00 -1.01 0.00 0.00 64.21 63.84 3krc n SER 223 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3krc n HIS 224 N -0.14 -1.16 -1.68 1.43 8.25 -0.50 -4.70 115.22 116.73 3krc n HIS 224 Ca 0.00 -3.08 -0.62 0.00 -0.26 0.00 0.00 57.72 53.75 3krc n HIS 224 Cb 0.00 0.45 -0.09 0.00 1.12 0.00 0.00 29.99 31.48 3krc n HIS 224 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 3krc n GLN 225 N 0.41 0.36 0.00 -0.41 -0.06 -1.26 -4.25 117.38 112.17 3krc n GLN 225 Ca 0.17 0.13 0.00 0.00 -2.00 0.00 0.00 57.00 55.30 3krc n GLN 225 Cb 0.67 -1.68 0.00 0.00 -4.06 0.00 0.00 30.24 25.16 3krc n GLN 225 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 3krc n LEU 226 N 3.68 0.00 -3.69 1.69 7.94 -1.26 -4.99 117.00 120.37 3krc n LEU 226 Ca 0.27 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 55.11 3krc n LEU 226 Cb 0.03 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.93 3krc n LEU 226 CO 0.80 0.00 1.15 0.00 -1.11 0.00 0.00 177.39 178.23 3krc n ILE 227 N 0.00 0.00 -2.01 1.96 0.13 -1.26 -4.83 119.36 113.35 3krc n ILE 227 Ca 0.00 -0.45 -0.42 0.00 -1.10 0.00 0.00 62.75 60.78 3krc n ILE 227 Cb 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 39.64 38.77 3krc n ILE 227 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 3krc s ASP 228 N 0.00 6.66 0.00 9.51 -1.08 -1.26 -4.80 116.67 125.70 3krc s ASP 228 Ca 0.32 2.56 0.00 0.00 -0.52 0.00 0.00 52.55 54.90 3krc s ASP 228 Cb -0.20 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.66 3krc s ASP 228 CO 0.14 -0.76 0.29 -0.62 0.52 0.00 0.00 175.17 174.74 3krc n GLU 229 N 3.67 0.00 0.12 4.34 -0.58 -1.26 -0.41 120.64 126.51 3krc n GLU 229 Ca 0.12 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.62 3krc n GLU 229 Cb 0.40 -1.32 -0.16 0.00 -0.57 0.00 0.00 31.44 29.79 3krc n GLU 229 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 3krc h ASN 230 N 0.00 0.75 0.21 1.62 2.35 -1.98 -1.80 115.58 116.73 3krc h ASN 230 Ca 0.00 -0.92 -0.01 0.00 -0.55 0.00 0.00 56.30 54.82 3krc h ASN 230 Cb 0.00 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.13 3krc h ASN 230 CO 0.00 1.75 -0.10 0.40 -1.65 0.00 0.00 177.43 177.83 3krc h ILE 231 N 0.13 0.88 -0.32 2.81 2.04 -1.10 0.46 117.51 122.41 3krc h ILE 231 Ca -0.30 -0.63 0.07 0.00 1.00 0.00 0.00 64.86 65.01 3krc h ILE 231 Cb 2.15 1.24 -0.07 0.00 -0.74 0.00 0.00 36.82 39.40 3krc h ILE 231 CO 0.24 0.14 -0.18 0.40 0.00 0.00 0.00 178.15 178.75 3krc h ILE 232 N -0.60 0.48 -0.43 -0.67 2.04 -1.68 0.32 117.51 116.97 3krc h ILE 232 Ca -0.03 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.90 3krc h ILE 232 Cb 0.44 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 36.94 3krc h ILE 232 CO 0.05 0.00 0.08 1.23 0.00 0.00 0.00 178.15 179.51 3krc h GLY 233 N -0.13 0.51 0.16 5.37 0.00 -1.26 0.14 103.07 107.85 3krc h GLY 233 Ca 0.17 -0.02 0.04 0.00 0.00 0.00 0.00 47.33 47.51 3krc h GLY 233 CO -0.40 -0.05 -0.36 0.50 0.00 0.00 0.00 176.54 176.23 3krc h LYS 234 N 0.21 -0.46 -0.64 4.80 1.57 0.51 -0.27 116.57 122.30 3krc h LYS 234 Ca 0.21 0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.93 3krc h LYS 234 Cb 0.26 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 3krc h LYS 234 CO -0.28 -0.30 0.05 -0.07 -0.57 0.00 0.00 179.45 178.28 3krc h LEU 235 N -0.47 1.06 -0.18 2.94 3.38 -0.68 -1.71 115.31 119.66 3krc h LEU 235 Ca 0.07 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.77 3krc h LEU 235 Cb 0.59 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3krc h LEU 235 CO -0.33 1.09 0.08 0.50 0.09 0.00 0.00 178.44 179.86 3krc h LYS 236 N 1.01 0.17 0.48 1.13 3.64 -0.51 -0.21 116.57 122.28 3krc h LYS 236 Ca 0.19 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 3krc h LYS 236 Cb 0.51 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3krc h LYS 236 CO 0.02 0.12 -0.24 0.93 -2.27 0.00 0.00 179.45 178.01 3krc h GLU 237 N 0.18 -0.63 -1.01 1.90 5.08 -0.91 -2.28 114.58 116.91 3krc h GLU 237 Ca 0.07 0.04 0.23 0.00 -1.00 0.00 0.00 59.36 58.70 3krc h GLU 237 Cb 0.02 0.14 -0.10 0.00 0.50 0.00 0.00 28.75 29.31 3krc h GLU 237 CO -0.05 -0.42 0.62 -0.07 -1.00 0.00 0.00 179.01 178.09 3krc h LEU 238 N -0.65 0.63 0.02 1.33 3.38 -1.05 -1.70 115.31 117.27 3krc h LEU 238 Ca -0.06 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3krc h LEU 238 Cb 0.50 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3krc h LEU 238 CO 0.10 0.17 -0.01 0.00 0.09 0.00 0.00 178.44 178.79 3krc h ALA 239 N 1.66 -0.03 -0.86 1.53 0.00 -0.69 -3.00 119.26 117.86 3krc h ALA 239 Ca 0.59 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 3krc h ALA 239 Cb 1.18 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 3krc h ALA 239 CO -0.37 -0.26 0.53 -0.07 0.00 0.00 0.00 179.25 179.08 3krc h LEU 240 N -0.55 1.03 0.08 0.00 3.38 -1.05 -2.06 115.31 116.14 3krc h LEU 240 Ca -0.00 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.93 3krc h LEU 240 Cb 0.52 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3krc h LEU 240 CO 0.01 0.78 -0.23 -0.33 0.09 0.00 0.00 178.44 178.76 3krc h GLU 241 N 1.19 -0.38 -0.64 1.13 4.39 -1.37 -1.36 114.58 117.52 3krc h GLU 241 Ca 0.31 0.03 0.10 0.00 0.34 0.00 0.00 59.36 60.14 3krc h GLU 241 Cb -0.06 0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 28.60 3krc h GLU 241 CO -0.06 -0.26 0.24 0.93 -1.16 0.00 0.00 179.01 178.71 3krc h GLU 242 N -0.40 0.41 -0.42 2.33 4.39 -1.29 -0.93 114.58 118.68 3krc h GLU 242 Ca 0.04 -0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.81 3krc h GLU 242 Cb 0.44 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 3krc h GLU 242 CO -0.15 0.27 0.29 1.25 -1.16 0.00 0.00 179.01 179.51 3krc h LEU 243 N 0.42 0.10 -9.11 1.33 6.46 -0.61 -3.44 115.31 110.46 3krc h LEU 243 Ca 0.33 0.00 -0.73 0.00 -0.12 0.00 0.00 57.88 57.37 3krc h LEU 243 Cb 0.42 -0.02 0.06 0.00 -0.73 0.00 0.00 40.66 40.40 3krc h LEU 243 CO -0.33 0.06 0.09 0.61 -0.62 0.00 0.00 178.44 178.25 3krc n GLY 244 N -1.58 -0.29 0.00 3.75 0.00 -0.35 -3.08 105.19 103.63 3krc n GLY 244 Ca 0.07 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.73 3krc n GLY 244 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krc n GLY 245 N 1.86 0.99 0.61 -0.02 0.00 -1.26 -5.00 105.19 102.36 3krc n GLY 245 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.26 3krc n GLY 245 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3krc n PHE 246 N -1.41 0.42 0.00 1.61 3.72 -1.18 -5.08 117.46 115.55 3krc n PHE 246 Ca 0.00 -0.46 0.00 0.00 -0.05 0.00 0.00 57.45 56.94 3krc n PHE 246 Cb 0.00 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 3krc n PHE 246 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3krc n HIS 247 N 0.49 0.00 -0.66 1.38 8.25 -1.26 -4.50 115.22 118.92 3krc n HIS 247 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 3krc n HIS 247 Cb 0.41 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.52 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 0.00 -0.93 0.26 -1.41 0.00 -1.26 -4.82 105.19 97.03 3krc n GLY 248 Ca 0.00 -1.58 -0.10 0.00 0.00 0.00 0.00 46.02 44.34 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 2.93 -0.60 -0.84 1.61 3.64 -2.01 -2.84 116.57 118.46 3krc h LYS 249 Ca 0.00 0.04 0.15 0.00 -1.27 0.00 0.00 60.65 59.57 3krc h LYS 249 Cb 0.00 0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 31.89 3krc h LYS 249 CO 0.00 -0.40 0.55 -0.91 -2.27 0.00 0.00 179.45 176.42 3krc h ASN 250 N -0.91 0.54 0.02 4.20 -0.26 -1.94 -0.30 115.58 116.93 3krc h ASN 250 Ca -0.06 0.03 -0.06 0.00 -0.56 0.00 0.00 56.30 55.65 3krc h ASN 250 Cb 0.48 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.65 3krc h ASN 250 CO 0.10 0.27 -0.15 0.00 -1.06 0.00 0.00 177.43 176.60 3krc h ALA 251 N 1.62 1.45 -0.01 -0.83 0.00 -1.78 -2.50 119.26 117.21 3krc h ALA 251 Ca 0.42 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3krc h ALA 251 Cb 0.80 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3krc h ALA 251 CO -0.17 0.38 -0.10 1.49 0.00 0.00 0.00 179.25 180.85 3krc h GLU 252 N 0.25 -0.17 -0.20 0.00 4.57 -0.79 -2.96 114.58 115.29 3krc h GLU 252 Ca 0.05 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.29 3krc h GLU 252 Cb 0.42 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 28.99 3krc h GLU 252 CO 0.03 -0.11 -0.17 -0.07 -1.18 0.00 0.00 179.01 177.51 3krc h LEU 253 N -0.17 -0.54 -0.09 1.64 3.38 -1.40 -2.73 115.31 115.40 3krc h LEU 253 Ca 0.04 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.13 3krc h LEU 253 Cb 0.23 0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 3krc h LEU 253 CO -0.11 -0.21 -0.24 -0.03 0.09 0.00 0.00 178.44 177.94 3krc h MET 254 N -0.18 -0.22 -0.58 1.13 4.05 -1.34 0.25 114.93 118.04 3krc h MET 254 Ca 0.12 0.02 0.17 0.00 -0.28 0.00 0.00 59.70 59.72 3krc h MET 254 Cb 0.36 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.18 3krc h MET 254 CO -0.31 -0.15 0.64 0.66 0.23 0.00 0.00 176.91 177.98 3krc h SER 255 N -0.23 0.00 -0.60 1.39 4.64 -1.45 0.57 113.55 117.87 3krc h SER 255 Ca 0.02 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3krc h SER 255 Cb 0.28 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.35 3krc h SER 255 CO -0.20 0.00 0.33 0.77 -0.87 0.00 0.00 176.83 176.86 3krc h SER 256 N 0.00 0.74 -0.66 4.97 4.64 -0.63 -0.76 113.55 121.85 3krc h SER 256 Ca 0.27 -0.09 0.12 0.00 -0.47 0.00 0.00 61.79 61.62 3krc h SER 256 Cb 1.55 -0.19 -0.12 0.00 -0.31 0.00 0.00 62.40 63.33 3krc h SER 256 CO -0.00 0.62 -0.33 0.25 -0.87 0.00 0.00 176.83 176.49 3krc h LEU 257 N 0.81 -1.17 -0.09 5.97 5.85 -0.75 -2.56 115.31 123.37 3krc h LEU 257 Ca 0.21 0.24 -0.06 0.00 0.84 0.00 0.00 57.88 59.11 3krc h LEU 257 Cb 0.03 0.59 0.00 0.00 0.37 0.00 0.00 40.66 41.66 3krc h LEU 257 CO -0.03 -0.30 -0.19 0.58 -0.34 0.00 0.00 178.44 178.15 3krc h VAL 258 N -0.13 1.40 -3.47 1.05 2.07 -1.65 -3.43 116.25 112.10 3krc h VAL 258 Ca 0.26 -1.49 -0.62 0.00 0.82 0.00 0.00 66.70 65.67 3krc h VAL 258 Cb 0.56 2.15 -0.37 0.00 -1.52 0.00 0.00 31.29 32.11 3krc h VAL 258 CO -0.73 0.43 -0.81 0.00 0.02 0.00 0.00 177.57 176.48 3krc s ALA 259 N -3.96 2.03 0.39 1.67 0.00 -0.31 -4.99 121.76 116.59 3krc s ALA 259 Ca -0.15 -1.25 -0.27 0.00 0.00 0.00 0.00 51.96 50.29 3krc s ALA 259 Cb 0.04 -1.31 -0.11 0.00 0.00 0.00 0.00 23.12 21.74 3krc s ALA 259 CO 0.75 -0.87 1.33 0.39 0.00 0.00 0.00 175.76 177.36 3krc n GLU 260 N 4.67 2.17 -1.63 0.00 -0.58 -1.19 -4.03 120.64 120.05 3krc n GLU 260 Ca -0.14 0.77 -0.31 0.00 -0.42 0.00 0.00 57.16 57.06 3krc n GLU 260 Cb 0.46 -2.44 0.06 0.00 -0.57 0.00 0.00 31.44 28.95 3krc n GLU 260 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3krc s PRO 261 N -2.09 2.70 -0.16 3.49 0.04 -1.26 -4.96 135.00 132.76 3krc s PRO 261 Ca 0.57 0.77 -0.29 0.00 0.04 0.00 0.00 61.00 62.09 3krc s PRO 261 Cb -0.52 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 3krc s PRO 261 CO 0.61 -1.22 1.66 -1.54 0.04 0.00 0.00 177.00 176.55 3krc s SER 262 N -3.93 6.42 0.07 6.66 1.04 -1.26 -5.00 113.70 117.69 3krc s SER 262 Ca 0.59 1.84 0.08 0.00 0.48 0.00 0.00 55.95 58.94 3krc s SER 262 Cb -0.13 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.42 3krc s SER 262 CO 0.54 -1.19 -0.22 -0.76 0.98 0.00 0.00 173.24 172.60 3krc s LEU 263 N 4.99 2.21 0.34 2.42 1.43 -1.26 -5.03 118.68 123.77 3krc s LEU 263 Ca 0.74 -0.59 0.10 0.00 -1.03 0.00 0.00 54.13 53.35 3krc s LEU 263 Cb -0.28 -0.99 0.60 0.00 0.03 0.00 0.00 46.19 45.55 3krc s LEU 263 CO 0.30 0.14 1.77 0.22 0.23 0.00 0.00 176.35 179.01 3krc h TYR 264 N 4.58 0.11 0.00 0.29 3.20 -2.01 -3.14 116.97 120.01 3krc h TYR 264 Ca -0.44 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.38 3krc h TYR 264 Cb 1.16 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.41 3krc h TYR 264 CO 0.54 0.48 -0.08 0.00 -1.64 0.00 0.00 178.16 177.45 3krc h ALA 265 N 1.52 1.55 0.00 1.82 0.00 -1.98 -0.17 119.26 121.99 3krc h ALA 265 Ca 0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3krc h ALA 265 Cb 0.72 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3krc h ALA 265 CO 0.05 0.10 -0.58 0.00 0.00 0.00 0.00 179.25 178.82 3krc h ALA 266 N 1.92 0.74 0.06 0.00 0.00 -1.98 -3.02 119.26 116.99 3krc h ALA 266 Ca -0.00 -0.21 -0.34 0.00 0.00 0.00 0.00 54.91 54.35 3krc h ALA 266 Cb 0.18 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3krc h ALA 266 CO 0.01 0.26 -1.98 0.72 0.00 0.00 0.00 179.25 178.26 3krc n HIS 267 N -2.98 0.96 -0.12 0.00 -0.00 -0.94 -3.77 115.22 108.36 3krc n HIS 267 Ca 0.01 0.25 -0.03 0.00 -0.00 0.00 0.00 57.72 57.95 3krc n HIS 267 Cb 0.62 -1.14 0.19 0.00 -0.00 0.00 0.00 29.99 29.66 3krc n HIS 267 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 3krc h HIS 268 N 0.04 0.84 0.46 4.41 2.76 -1.16 -1.78 115.15 120.72 3krc h HIS 268 Ca -0.41 -0.09 -0.02 0.00 -2.20 0.00 0.00 60.37 57.66 3krc h HIS 268 Cb 2.03 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 30.75 3krc h HIS 268 CO 0.04 0.73 -0.22 1.25 -1.30 0.00 0.00 177.93 178.43 3krc h HIS 269 N 0.77 -0.57 0.00 5.26 -0.00 -1.67 -3.15 115.15 115.79 3krc h HIS 269 Ca 0.17 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.52 3krc h HIS 269 Cb 0.33 0.19 0.00 0.00 -0.00 0.00 0.00 27.41 27.93 3krc h HIS 269 CO 0.02 -0.36 0.06 0.45 -0.00 0.00 0.00 177.93 178.10 3krc h HIS 270 N -0.68 0.00 -0.02 5.26 3.86 -1.64 -3.52 115.15 118.41 3krc h HIS 270 Ca -0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 3krc h HIS 270 Cb 0.47 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.94 3krc h HIS 270 CO 0.10 0.00 0.00 1.58 0.86 0.00 0.00 177.93 180.47