#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1r h ASP 2 N 0.00 0.00 1.25 3.17 1.82 -2.05 -0.02 116.42 120.60 3k1r h ASP 2 Ca 0.00 0.00 -0.15 0.00 -0.39 0.00 0.00 57.03 56.49 3k1r h ASP 2 Cb 0.00 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 39.99 3k1r h ASP 2 CO 0.00 0.00 -0.77 0.03 -1.61 0.00 0.00 179.24 176.89 3k1r h ARG 3 N 0.00 0.00 -0.03 0.28 3.08 -2.05 -2.57 114.38 113.10 3k1r h ARG 3 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 3k1r h ARG 3 Cb 0.56 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.62 3k1r h ARG 3 CO 0.00 0.62 -0.54 -0.22 -1.07 0.00 0.00 179.97 178.75 3k1r h LYS 4 N 0.00 0.42 -0.37 0.04 3.64 -1.67 -2.38 116.57 116.25 3k1r h LYS 4 Ca -0.03 -0.41 -0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3k1r h LYS 4 Cb 1.53 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 33.44 3k1r h LYS 4 CO 0.08 1.07 0.21 0.28 -2.27 0.00 0.00 179.45 178.82 3k1r h VAL 5 N -0.07 1.13 -0.87 2.00 2.07 -1.16 -1.31 116.25 118.04 3k1r h VAL 5 Ca -0.06 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 3k1r h VAL 5 Cb 1.23 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 3k1r h VAL 5 CO 0.11 0.14 0.47 0.00 0.02 0.00 0.00 177.57 178.30 3k1r h ALA 6 N 1.08 1.12 0.08 1.67 0.00 -1.54 -0.49 119.26 121.17 3k1r h ALA 6 Ca 0.13 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3k1r h ALA 6 Cb 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3k1r h ALA 6 CO -0.02 0.63 -0.04 -0.09 0.00 0.00 0.00 179.25 179.73 3k1r h ARG 7 N 1.22 -0.10 -0.59 0.00 2.43 -1.20 -0.68 114.38 115.46 3k1r h ARG 7 Ca 0.31 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.42 3k1r h ARG 7 Cb 0.04 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 3k1r h ARG 7 CO -0.05 0.09 0.12 0.93 -1.51 0.00 0.00 179.97 179.56 3k1r h GLU 8 N -0.28 0.93 -0.32 0.20 5.08 -1.13 -2.43 114.58 116.63 3k1r h GLU 8 Ca -0.01 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.06 3k1r h GLU 8 Cb 0.24 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3k1r h GLU 8 CO 0.02 0.84 -0.09 0.35 -1.00 0.00 0.00 179.01 179.13 3k1r h PHE 9 N 0.89 0.71 -0.87 4.33 3.57 -1.03 -2.92 116.94 121.62 3k1r h PHE 9 Ca 0.19 -0.16 0.03 0.00 3.53 0.00 0.00 57.97 61.56 3k1r h PHE 9 Cb 0.35 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.87 3k1r h PHE 9 CO 0.02 0.81 0.57 -0.09 -2.23 0.00 0.00 178.31 177.39 3k1r h ARG 10 N 0.40 1.07 -0.72 1.11 2.43 -0.99 -0.52 114.38 117.16 3k1r h ARG 10 Ca 0.08 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 3k1r h ARG 10 Cb 0.59 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 3k1r h ARG 10 CO 0.03 0.71 0.31 0.45 -1.51 0.00 0.00 179.97 179.96 3k1r h HIS 11 N 1.10 1.08 -0.49 2.20 3.86 -1.39 -0.96 115.15 120.55 3k1r h HIS 11 Ca 0.34 -0.07 -0.11 0.00 -1.16 0.00 0.00 60.37 59.37 3k1r h HIS 11 Cb -0.01 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.12 3k1r h HIS 11 CO -0.00 0.82 -0.13 0.87 0.86 0.00 0.00 177.93 180.35 3k1r h LYS 12 N 1.03 0.91 -0.16 2.45 1.57 -1.16 -2.28 116.57 118.94 3k1r h LYS 12 Ca 0.24 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 3k1r h LYS 12 Cb 0.18 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3k1r h LYS 12 CO -0.02 0.98 0.01 0.28 -0.57 0.00 0.00 179.45 180.13 3k1r h VAL 13 N 0.81 1.24 -0.54 0.50 2.07 -0.93 -2.78 116.25 116.63 3k1r h VAL 13 Ca 0.13 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 3k1r h VAL 13 Cb 0.66 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 3k1r h VAL 13 CO 0.05 0.23 0.24 0.44 0.02 0.00 0.00 177.57 178.55 3k1r h ASP 14 N 0.03 0.68 -0.03 0.57 3.32 -1.15 -0.96 116.42 118.89 3k1r h ASP 14 Ca 0.05 -0.07 -0.15 0.00 0.02 0.00 0.00 57.03 56.88 3k1r h ASP 14 Cb 0.34 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3k1r h ASP 14 CO 0.01 0.60 -0.47 0.15 -1.72 0.00 0.00 179.24 177.81 3k1r h PHE 15 N 0.76 0.71 0.00 4.55 3.57 -1.37 -3.34 116.94 121.81 3k1r h PHE 15 Ca 0.19 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 61.46 3k1r h PHE 15 Cb 0.11 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.70 3k1r h PHE 15 CO 0.01 0.94 -1.69 1.28 -2.23 0.00 0.00 178.31 176.61 3k1r n LEU 16 N -4.00 0.28 -4.03 0.59 4.77 -1.05 -4.87 117.00 108.69 3k1r n LEU 16 Ca -0.02 -0.09 -0.29 0.00 -0.03 0.00 0.00 56.01 55.58 3k1r n LEU 16 Cb 0.56 -0.01 -0.17 0.00 -2.33 0.00 0.00 43.42 41.47 3k1r n LEU 16 CO 0.46 0.04 -0.49 -0.63 -1.33 0.00 0.00 177.39 175.45 3k1r s ILE 17 N -3.39 1.47 -0.08 -0.08 1.01 -0.38 -4.85 121.20 114.90 3k1r s ILE 17 Ca -0.04 -0.60 -0.21 0.00 0.00 0.00 0.00 60.65 59.81 3k1r s ILE 17 Cb 0.14 -1.37 -0.29 0.00 0.01 0.00 0.00 42.46 40.95 3k1r s ILE 17 CO 0.89 0.44 0.74 -0.33 0.00 0.00 0.00 174.94 176.68 3k1r h GLU 18 N 7.73 0.24 -6.57 2.79 5.08 -1.86 -3.41 114.58 118.58 3k1r h GLU 18 Ca -0.34 -0.41 -0.52 0.00 -1.00 0.00 0.00 59.36 57.09 3k1r h GLU 18 Cb 1.16 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 3k1r h GLU 18 CO 0.50 1.20 0.46 1.21 -1.00 0.00 0.00 179.01 181.37 3k1r s ASN 19 N -6.92 7.29 0.22 1.42 2.47 -1.26 -4.97 114.94 113.19 3k1r s ASN 19 Ca -0.17 1.96 -0.03 0.00 0.42 0.00 0.00 52.86 55.05 3k1r s ASN 19 Cb 0.02 -2.59 0.20 0.00 -1.45 0.00 0.00 41.25 37.43 3k1r s ASN 19 CO 0.79 -0.24 1.60 0.44 -3.72 0.00 0.00 177.10 175.96 3k1r h ASP 20 N 5.74 0.67 -0.01 -4.21 3.32 -1.99 -2.33 116.42 117.61 3k1r h ASP 20 Ca -0.43 -0.28 -0.10 0.00 0.02 0.00 0.00 57.03 56.25 3k1r h ASP 20 Cb 1.21 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 3k1r h ASP 20 CO 0.74 0.96 -0.27 0.00 -1.72 0.00 0.00 179.24 178.95 3k1r h ALA 21 N 1.08 1.11 -0.27 3.45 0.00 -1.99 -0.56 119.26 122.09 3k1r h ALA 21 Ca 0.06 -0.35 -0.16 0.00 0.00 0.00 0.00 54.91 54.46 3k1r h ALA 21 Cb 0.85 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3k1r h ALA 21 CO 0.07 0.55 -0.47 0.93 0.00 0.00 0.00 179.25 180.34 3k1r h GLU 22 N 0.39 0.70 -0.17 0.00 5.08 -1.95 -2.42 114.58 116.22 3k1r h GLU 22 Ca 0.06 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 3k1r h GLU 22 Cb 0.68 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3k1r h GLU 22 CO 0.05 1.02 0.06 0.87 -1.00 0.00 0.00 179.01 180.01 3k1r h LYS 23 N 0.56 0.26 -0.97 2.33 1.57 -1.14 -2.22 116.57 116.96 3k1r h LYS 23 Ca 0.03 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 3k1r h LYS 23 Cb 1.02 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 33.23 3k1r h LYS 23 CO 0.10 0.35 0.62 -0.44 -0.57 0.00 0.00 179.45 179.50 3k1r h ASP 24 N 0.11 0.98 -0.54 0.86 3.32 -1.08 -1.32 116.42 118.76 3k1r h ASP 24 Ca 0.06 0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 3k1r h ASP 24 Cb 0.19 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3k1r h ASP 24 CO -0.00 0.61 -0.05 0.22 -1.72 0.00 0.00 179.24 178.30 3k1r h TYR 25 N 1.11 1.10 0.10 4.55 3.20 -1.37 -2.00 116.97 123.66 3k1r h TYR 25 Ca 0.43 -0.20 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 3k1r h TYR 25 Cb 0.20 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.19 3k1r h TYR 25 CO -0.01 1.00 -0.05 1.25 -1.64 0.00 0.00 178.16 178.71 3k1r h LEU 26 N 0.91 -0.11 -1.29 2.82 5.85 -0.68 -2.00 115.31 120.81 3k1r h LEU 26 Ca 0.15 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 3k1r h LEU 26 Cb 0.60 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 3k1r h LEU 26 CO 0.04 0.00 -0.10 1.88 -0.34 0.00 0.00 178.44 179.92 3k1r h TYR 27 N -0.22 0.37 -0.32 1.25 0.05 -1.27 -2.65 116.97 114.19 3k1r h TYR 27 Ca -0.01 -0.04 -0.08 0.00 0.05 0.00 0.00 58.73 58.64 3k1r h TYR 27 Cb 0.18 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 3k1r h TYR 27 CO -0.04 0.46 -0.12 0.22 -1.05 0.00 0.00 178.16 177.63 3k1r h ASP 28 N 0.34 0.65 0.63 3.88 -0.00 -1.18 -1.19 116.42 119.55 3k1r h ASP 28 Ca 0.07 -0.39 -0.09 0.00 -0.00 0.00 0.00 57.03 56.62 3k1r h ASP 28 Cb 0.39 -0.18 -0.01 0.00 -0.00 0.00 0.00 39.33 39.53 3k1r h ASP 28 CO 0.02 0.89 -0.44 -0.37 -0.00 0.00 0.00 179.24 179.35 3k1r h VAL 29 N 0.41 1.13 -0.19 2.25 -1.51 -1.25 -0.99 116.25 116.09 3k1r h VAL 29 Ca 0.08 -1.59 -0.21 0.00 -1.23 0.00 0.00 66.70 63.75 3k1r h VAL 29 Cb 0.63 1.90 0.01 0.00 -2.13 0.00 0.00 31.29 31.70 3k1r h VAL 29 CO 0.04 0.43 -0.69 -0.07 -1.23 0.00 0.00 177.57 176.04 3k1r h LEU 30 N 0.00 0.90 -0.88 4.19 3.38 -1.40 -1.64 115.31 119.86 3k1r h LEU 30 Ca -0.00 -0.55 0.01 0.00 0.09 0.00 0.00 57.88 57.43 3k1r h LEU 30 Cb 0.87 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 3k1r h LEU 30 CO 0.06 1.34 0.58 0.03 0.09 0.00 0.00 178.44 180.54 3k1r h ARG 31 N 0.55 1.15 -0.54 1.13 3.08 -0.99 -1.87 114.38 116.89 3k1r h ARG 31 Ca -0.03 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 59.88 3k1r h ARG 31 Cb 1.31 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 31.08 3k1r h ARG 31 CO 0.14 0.76 0.06 0.52 -1.07 0.00 0.00 179.97 180.38 3k1r h MET 32 N 1.19 0.92 -0.69 0.04 2.86 -1.12 -2.96 114.93 115.17 3k1r h MET 32 Ca 0.32 -0.26 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3k1r h MET 32 Cb -0.14 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.39 3k1r h MET 32 CO -0.07 0.91 0.42 -0.92 1.06 0.00 0.00 176.91 178.30 3k1r h TYR 33 N 0.80 0.90 -0.19 -0.22 3.20 -1.09 -0.58 116.97 119.79 3k1r h TYR 33 Ca 0.16 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.07 3k1r h TYR 33 Cb 0.45 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 3k1r h TYR 33 CO 0.03 0.61 0.13 1.25 -1.64 0.00 0.00 178.16 178.54 3k1r h HIS 34 N 0.94 0.06 0.23 -3.82 2.76 -1.23 0.58 115.15 114.67 3k1r h HIS 34 Ca 0.25 0.00 -0.34 0.00 -2.20 0.00 0.00 60.37 58.08 3k1r h HIS 34 Cb -0.04 -0.02 0.03 0.00 1.55 0.00 0.00 27.41 28.93 3k1r h HIS 34 CO -0.01 0.04 -1.57 1.96 -1.30 0.00 0.00 177.93 177.04 3k1r h GLN 35 N 0.07 0.49 0.00 5.26 4.20 -1.18 -3.40 115.11 120.54 3k1r h GLN 35 Ca 0.09 -0.83 -0.25 0.00 0.06 0.00 0.00 58.65 57.71 3k1r h GLN 35 Cb 0.26 0.31 -0.05 0.00 0.30 0.00 0.00 27.48 28.31 3k1r h GLN 35 CO -0.01 1.40 -2.23 0.25 -0.67 0.00 0.00 178.83 177.57 3k1r n THR 36 N -3.67 0.95 -2.13 -0.54 -2.24 -0.31 -5.00 114.28 101.34 3k1r n THR 36 Ca -0.19 -0.73 -0.20 0.00 -2.27 0.00 0.00 64.05 60.66 3k1r n THR 36 Cb 1.10 -0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.96 3k1r n THR 36 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3k1r n MET 37 N -2.58 -1.53 -3.02 -0.78 2.81 0.20 -4.96 117.12 107.25 3k1r n MET 37 Ca -0.24 1.05 -0.44 0.00 -1.81 0.00 0.00 57.70 56.26 3k1r n MET 37 Cb 0.96 -5.58 -0.04 0.00 -0.71 0.00 0.00 33.22 27.86 3k1r n MET 37 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3k1r s ASP 38 N -2.31 6.18 0.15 7.83 -1.08 -1.26 -4.91 116.67 121.26 3k1r s ASP 38 Ca 0.00 -1.28 -0.05 0.00 -0.52 0.00 0.00 52.55 50.70 3k1r s ASP 38 Cb 0.00 -2.34 -0.03 0.00 -1.46 0.00 0.00 42.92 39.09 3k1r s ASP 38 CO 0.00 -1.23 1.37 1.62 0.52 0.00 0.00 175.17 177.46 3k1r h VAL 39 N 5.94 1.35 -0.41 1.11 3.04 -1.94 -2.40 116.25 122.95 3k1r h VAL 39 Ca -0.29 -2.16 -0.01 0.00 -1.01 0.00 0.00 66.70 63.23 3k1r h VAL 39 Cb 1.08 2.14 -0.02 0.00 -2.01 0.00 0.00 31.29 32.48 3k1r h VAL 39 CO 1.13 0.66 0.21 0.00 -1.01 0.00 0.00 177.57 178.56 3k1r h ALA 40 N 0.80 0.52 -0.75 3.17 0.00 -1.96 -1.50 119.26 119.53 3k1r h ALA 40 Ca -0.05 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3k1r h ALA 40 Cb 1.39 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 3k1r h ALA 40 CO 0.14 0.06 0.27 0.28 0.00 0.00 0.00 179.25 180.00 3k1r h VAL 41 N 0.52 1.26 0.21 0.00 2.07 -1.98 -2.07 116.25 116.25 3k1r h VAL 41 Ca 0.14 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 3k1r h VAL 41 Cb 0.08 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 3k1r h VAL 41 CO -0.02 0.34 -0.13 0.25 0.02 0.00 0.00 177.57 178.03 3k1r h LEU 42 N 1.10 -0.33 -0.81 2.57 5.85 -1.14 -0.15 115.31 122.40 3k1r h LEU 42 Ca 0.25 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 3k1r h LEU 42 Cb 0.25 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 3k1r h LEU 42 CO -0.02 -0.21 0.47 0.58 -0.34 0.00 0.00 178.44 178.92 3k1r h VAL 43 N -0.33 1.23 -0.54 1.05 2.07 -1.20 0.14 116.25 118.67 3k1r h VAL 43 Ca -0.02 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 3k1r h VAL 43 Cb 0.28 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 3k1r h VAL 43 CO 0.01 0.25 0.33 1.23 0.02 0.00 0.00 177.57 179.42 3k1r h GLY 44 N 1.11 0.77 1.53 2.17 0.00 -1.22 -2.79 103.07 104.65 3k1r h GLY 44 Ca 0.29 -0.31 -0.15 0.00 0.00 0.00 0.00 47.33 47.16 3k1r h GLY 44 CO -0.05 0.31 -0.50 -0.55 0.00 0.00 0.00 176.54 175.75 3k1r h ASP 45 N 0.72 0.55 0.07 0.19 3.32 -0.55 -3.10 116.42 117.62 3k1r h ASP 45 Ca 0.19 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 3k1r h ASP 45 Cb -0.03 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 3k1r h ASP 45 CO -0.04 0.95 -0.07 -0.07 -1.72 0.00 0.00 179.24 178.29 3k1r h LEU 46 N 0.40 0.00 -2.05 1.55 3.38 -0.58 -2.93 115.31 115.07 3k1r h LEU 46 Ca 0.02 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.01 3k1r h LEU 46 Cb 1.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 3k1r h LEU 46 CO 0.09 0.07 0.05 0.11 0.09 0.00 0.00 178.44 178.86 3k1r h LYS 47 N 0.00 0.00 -0.81 1.13 1.57 -1.41 -0.41 116.57 116.64 3k1r h LYS 47 Ca -0.00 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 3k1r h LYS 47 Cb 0.13 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.39 3k1r h LYS 47 CO 0.01 0.00 0.53 1.25 -0.57 0.00 0.00 179.45 180.67 3k1r h LEU 48 N 0.00 0.87 0.04 2.94 5.85 -1.69 -3.11 115.31 120.22 3k1r h LEU 48 Ca 0.03 -0.01 -0.35 0.00 0.84 0.00 0.00 57.88 58.39 3k1r h LEU 48 Cb 0.14 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 3k1r h LEU 48 CO -0.00 0.60 -2.06 1.33 -0.34 0.00 0.00 178.44 177.97 3k1r n VAL 49 N -4.45 1.61 -2.80 1.05 0.24 -0.92 -4.61 118.33 108.45 3k1r n VAL 49 Ca 0.10 -0.72 -0.44 0.00 -2.04 0.00 0.00 64.34 61.25 3k1r n VAL 49 Cb 0.11 -1.26 -0.00 0.00 -1.47 0.00 0.00 33.84 31.21 3k1r n VAL 49 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3k1r s ILE 50 N -2.55 4.67 -0.04 1.34 1.01 -0.21 -4.69 121.20 120.73 3k1r s ILE 50 Ca -0.17 -2.31 0.06 0.00 0.00 0.00 0.00 60.65 58.23 3k1r s ILE 50 Cb 0.07 -5.02 0.10 0.00 0.01 0.00 0.00 42.46 37.62 3k1r s ILE 50 CO 0.76 -1.78 0.99 -0.46 0.00 0.00 0.00 174.94 174.45 3k1r n ASN 51 N 6.75 1.67 -3.46 3.58 6.94 -1.25 -4.63 115.26 124.87 3k1r n ASN 51 Ca 0.41 -2.24 -0.14 0.00 -0.02 0.00 0.00 54.58 52.59 3k1r n ASN 51 Cb 0.44 -0.16 -0.03 0.00 -2.36 0.00 0.00 39.78 37.66 3k1r n ASN 51 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 3k1r s GLU 52 N -1.41 1.20 0.27 -3.83 -1.05 -1.26 -4.18 118.70 108.44 3k1r s GLU 52 Ca 0.11 -0.20 -0.00 0.00 -0.15 0.00 0.00 54.97 54.72 3k1r s GLU 52 Cb 0.09 0.56 0.58 0.00 -0.44 0.00 0.00 34.13 34.92 3k1r s GLU 52 CO 0.01 -0.47 1.73 -1.35 0.95 0.00 0.00 175.26 176.12 3k1r h PRO 53 N 2.37 0.48 0.00 -4.83 0.11 -1.98 -1.40 132.00 126.75 3k1r h PRO 53 Ca -0.31 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3k1r h PRO 53 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3k1r h PRO 53 CO 0.38 0.32 0.00 0.66 -0.21 0.00 0.00 178.00 179.15 3k1r h SER 54 N 0.49 0.00 -0.01 -2.05 4.64 -1.99 -2.04 113.55 112.59 3k1r h SER 54 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 3k1r h SER 54 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3k1r h SER 54 CO -0.43 0.00 -0.60 0.54 -0.87 0.00 0.00 176.83 175.46 3k1r n ARG 55 N -2.41 0.93 0.24 4.77 1.74 -0.53 -4.50 116.66 116.89 3k1r n ARG 55 Ca -0.01 -0.76 0.08 0.00 -0.77 0.00 0.00 57.85 56.39 3k1r n ARG 55 Cb 0.10 -1.48 0.58 0.00 -1.02 0.00 0.00 32.46 30.63 3k1r n ARG 55 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3k1r h LEU 56 N 1.86 0.00 -1.41 0.55 3.38 -1.39 -2.28 115.31 116.01 3k1r h LEU 56 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3k1r h LEU 56 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3k1r h LEU 56 CO 0.00 0.18 0.00 -2.65 0.09 0.00 0.00 178.44 176.06 3k1r n PRO 57 N -4.04 0.14 -0.03 1.13 -0.02 -1.26 -1.90 135.00 129.02 3k1r n PRO 57 Ca -0.02 0.63 0.03 0.00 -2.02 0.00 0.00 63.50 62.12 3k1r n PRO 57 Cb 0.26 -1.96 0.39 0.00 -0.02 0.00 0.00 33.50 32.16 3k1r n PRO 57 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3k1r h LEU 58 N 0.00 0.53 -1.11 2.45 3.38 -1.75 -1.53 115.31 117.27 3k1r h LEU 58 Ca 0.00 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3k1r h LEU 58 Cb 0.02 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 3k1r h LEU 58 CO 0.00 0.40 0.60 -0.26 0.09 0.00 0.00 178.44 179.27 3k1r h PHE 59 N 0.62 1.13 -0.45 1.13 0.04 -1.59 -0.00 116.94 117.81 3k1r h PHE 59 Ca 0.16 0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.83 3k1r h PHE 59 Cb -0.04 -0.38 -0.01 0.00 2.20 0.00 0.00 35.95 37.72 3k1r h PHE 59 CO 0.00 0.69 -0.22 -0.44 -0.60 0.00 0.00 178.31 177.75 3k1r h ASP 60 N 1.20 0.98 -0.13 2.17 3.32 -1.51 -2.44 116.42 120.02 3k1r h ASP 60 Ca 0.34 -0.40 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 3k1r h ASP 60 Cb -0.10 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.17 3k1r h ASP 60 CO -0.08 1.16 -0.07 0.00 -1.72 0.00 0.00 179.24 178.53 3k1r h ALA 61 N 0.84 1.37 0.04 3.45 0.00 -0.74 -3.06 119.26 121.16 3k1r h ALA 61 Ca 0.10 -0.22 -0.24 0.00 0.00 0.00 0.00 54.91 54.55 3k1r h ALA 61 Cb 0.80 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3k1r h ALA 61 CO 0.07 0.43 -1.14 0.82 0.00 0.00 0.00 179.25 179.43 3k1r h ILE 62 N 0.41 1.57 -0.84 0.00 2.04 -0.97 -3.38 117.51 116.35 3k1r h ILE 62 Ca 0.08 -3.25 0.20 0.00 1.00 0.00 0.00 64.86 62.89 3k1r h ILE 62 Cb 0.39 2.85 -0.12 0.00 -0.74 0.00 0.00 36.82 39.20 3k1r h ILE 62 CO 0.02 0.92 0.32 -0.09 0.00 0.00 0.00 178.15 179.31 3k1r h ARG 63 N 0.02 0.35 -0.04 2.37 2.43 -1.33 0.16 114.38 118.35 3k1r h ARG 63 Ca -0.07 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3k1r h ARG 63 Cb 1.85 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 31.32 3k1r h ARG 63 CO 0.15 0.23 0.04 -1.35 -1.51 0.00 0.00 179.97 177.53 3k1r h PRO 64 N 0.36 0.00 0.00 0.20 0.11 -1.75 -1.16 132.00 129.76 3k1r h PRO 64 Ca 0.51 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.61 3k1r h PRO 64 Cb 0.92 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 3k1r h PRO 64 CO -0.52 0.00 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.15 3k1r h LEU 65 N 0.00 0.00 -9.24 2.35 4.07 -0.92 -3.43 115.31 108.14 3k1r h LEU 65 Ca 0.02 0.00 -0.56 0.00 0.08 0.00 0.00 57.88 57.42 3k1r h LEU 65 Cb 0.10 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.79 3k1r h LEU 65 CO -0.00 0.05 0.50 -0.63 -1.08 0.00 0.00 178.44 177.28 3k1r s ILE 66 N -3.64 4.82 0.71 1.22 -1.09 -0.44 -5.03 121.20 117.76 3k1r s ILE 66 Ca 0.01 1.91 -0.16 0.00 -2.23 0.00 0.00 60.65 60.18 3k1r s ILE 66 Cb 0.09 -4.26 0.02 0.00 -1.58 0.00 0.00 42.46 36.74 3k1r s ILE 66 CO 0.57 0.02 1.21 -0.81 -1.23 0.00 0.00 174.94 174.70 3k1r n PRO 67 N 5.01 0.70 -0.35 2.79 -0.04 -1.26 -4.78 135.00 137.07 3k1r n PRO 67 Ca 0.07 0.30 0.08 0.00 -0.04 0.00 0.00 63.50 63.92 3k1r n PRO 67 Cb 0.49 -2.44 0.25 0.00 -0.04 0.00 0.00 33.50 31.76 3k1r n PRO 67 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3k1r h LEU 68 N -0.09 0.82 -0.14 1.53 4.07 -1.95 -1.45 115.31 118.10 3k1r h LEU 68 Ca -0.49 0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.54 3k1r h LEU 68 Cb 1.33 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.98 3k1r h LEU 68 CO 0.50 0.39 0.00 2.29 -1.08 0.00 0.00 178.44 180.54 3k1r n LYS 69 N -4.70 0.03 0.00 1.13 2.85 -1.26 -2.55 118.16 113.66 3k1r n LYS 69 Ca 0.20 0.34 0.03 0.00 -1.05 0.00 0.00 58.31 57.82 3k1r n LYS 69 Cb 0.42 -1.56 0.00 0.00 -0.65 0.00 0.00 35.03 33.24 3k1r n LYS 69 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3k1r n HIS 70 N -1.62 0.00 0.14 5.58 8.25 -0.56 -4.74 115.22 122.27 3k1r n HIS 70 Ca 0.02 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.50 3k1r n HIS 70 Cb 0.14 0.00 0.34 0.00 1.12 0.00 0.00 29.99 31.59 3k1r n HIS 70 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 3k1r h GLN 71 N 0.68 0.16 -0.17 -0.41 4.20 -1.33 -0.94 115.11 117.31 3k1r h GLN 71 Ca 0.00 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 3k1r h GLN 71 Cb 0.19 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 3k1r h GLN 71 CO 0.00 0.43 -0.05 0.28 -0.67 0.00 0.00 178.83 178.82 3k1r h VAL 72 N 0.15 1.29 -0.61 -0.54 2.07 -1.85 -2.27 116.25 114.49 3k1r h VAL 72 Ca 0.02 -1.03 -0.10 0.00 0.82 0.00 0.00 66.70 66.42 3k1r h VAL 72 Cb 0.56 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 3k1r h VAL 72 CO 0.04 0.31 -0.00 -0.08 0.02 0.00 0.00 177.57 177.85 3k1r h GLU 73 N 0.04 1.08 -0.61 1.57 4.81 -1.84 -2.50 114.58 117.13 3k1r h GLU 73 Ca 0.04 -0.34 0.03 0.00 -0.13 0.00 0.00 59.36 58.96 3k1r h GLU 73 Cb 0.49 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 3k1r h GLU 73 CO 0.02 1.05 0.36 -0.92 -0.73 0.00 0.00 179.01 178.79 3k1r h TYR 74 N 0.98 0.68 -0.86 0.92 3.20 -1.18 -1.66 116.97 119.05 3k1r h TYR 74 Ca 0.17 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 3k1r h TYR 74 Cb 0.57 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 3k1r h TYR 74 CO 0.04 0.37 0.43 -0.44 -1.64 0.00 0.00 178.16 176.92 3k1r h ASP 75 N 0.71 1.10 -0.13 -2.11 3.32 -1.27 -2.20 116.42 115.83 3k1r h ASP 75 Ca 0.25 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 3k1r h ASP 75 Cb 0.05 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 3k1r h ASP 75 CO -0.12 0.91 -0.18 1.56 -1.72 0.00 0.00 179.24 179.69 3k1r h GLN 76 N 1.21 0.54 0.00 3.56 4.20 -0.97 -3.08 115.11 120.57 3k1r h GLN 76 Ca 0.30 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3k1r h GLN 76 Cb 0.09 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.83 3k1r h GLN 76 CO -0.04 0.70 -0.42 1.28 -0.67 0.00 0.00 178.83 179.68 3k1r n LEU 77 N -4.16 0.54 -4.70 1.46 4.77 -0.67 -4.87 117.00 109.37 3k1r n LEU 77 Ca 0.00 0.24 -0.29 0.00 -0.03 0.00 0.00 56.01 55.93 3k1r n LEU 77 Cb 0.37 -0.27 -0.08 0.00 -2.33 0.00 0.00 43.42 41.11 3k1r n LEU 77 CO 0.42 -0.00 -0.32 0.42 -1.33 0.00 0.00 177.39 176.57 3k1r s THR 78 N -3.08 4.01 0.26 -5.08 -4.23 -0.85 -5.03 115.64 101.64 3k1r s THR 78 Ca 0.09 -1.11 -0.31 0.00 -1.18 0.00 0.00 61.69 59.19 3k1r s THR 78 Cb 0.15 -2.96 -0.12 0.00 1.34 0.00 0.00 72.50 70.92 3k1r s THR 78 CO 0.67 0.03 1.63 -0.81 -0.54 0.00 0.00 174.62 175.61 3k1r n PRO 79 N 0.28 2.69 -2.83 3.99 -0.04 -1.26 -4.88 135.00 132.96 3k1r n PRO 79 Ca -0.10 0.96 -0.43 0.00 -0.04 0.00 0.00 63.50 63.89 3k1r n PRO 79 Cb 0.53 -2.76 -0.04 0.00 -0.04 0.00 0.00 33.50 31.19 3k1r n PRO 79 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3k1r s ARG 80 N 0.09 3.43 0.21 0.54 0.52 -1.26 -5.02 118.95 117.46 3k1r s ARG 80 Ca 0.68 -0.05 0.10 0.00 -0.52 0.00 0.00 55.73 55.94 3k1r s ARG 80 Cb -0.51 -3.99 -0.04 0.00 0.52 0.00 0.00 34.95 30.93 3k1r s ARG 80 CO 0.43 -1.36 -0.13 1.03 0.02 0.00 0.00 175.30 175.28 3k1r s ARG 81 N 3.87 1.90 -0.21 3.54 0.52 -1.26 -4.80 118.95 122.51 3k1r s ARG 81 Ca 0.34 -1.44 -0.19 0.00 -0.52 0.00 0.00 55.73 53.92 3k1r s ARG 81 Cb -0.11 -2.02 0.06 0.00 0.52 0.00 0.00 34.95 33.40 3k1r s ARG 81 CO 0.23 0.40 0.55 0.45 0.02 0.00 0.00 175.30 176.95 3k1r s SER 82 N -3.04 -0.59 0.02 0.23 0.15 -1.26 -5.04 113.70 104.17 3k1r s SER 82 Ca 0.26 1.13 0.26 0.00 0.70 0.00 0.00 55.95 58.29 3k1r s SER 82 Cb -0.08 1.13 1.08 0.00 -1.71 0.00 0.00 66.02 66.44 3k1r s SER 82 CO 0.15 -0.20 1.82 0.54 1.20 0.00 0.00 173.24 176.75 3k1r n ARG 83 N 2.93 0.02 -2.59 5.44 1.74 -1.26 -4.68 116.66 118.27 3k1r n ARG 83 Ca -0.14 0.07 -0.42 0.00 -0.77 0.00 0.00 57.85 56.59 3k1r n ARG 83 Cb 0.56 -1.53 -0.03 0.00 -1.02 0.00 0.00 32.46 30.44 3k1r n ARG 83 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3k1r s LYS 84 N -3.01 4.44 0.19 5.56 1.02 -1.26 -5.03 119.74 121.65 3k1r s LYS 84 Ca 0.12 1.53 -0.25 0.00 0.02 0.00 0.00 55.97 57.39 3k1r s LYS 84 Cb 0.16 -3.49 -0.08 0.00 -0.52 0.00 0.00 37.83 33.90 3k1r s LYS 84 CO 0.48 -0.27 0.80 -0.51 -0.92 0.00 0.00 175.35 174.93 3k1r s LEU 85 N 1.65 4.55 -0.21 3.17 1.02 -1.26 -4.93 118.68 122.68 3k1r s LEU 85 Ca 0.53 1.66 -0.08 0.00 0.02 0.00 0.00 54.13 56.26 3k1r s LEU 85 Cb -0.22 -3.42 -0.04 0.00 0.02 0.00 0.00 46.19 42.53 3k1r s LEU 85 CO 0.23 0.16 0.08 -0.75 0.02 0.00 0.00 176.35 176.10 3k1r s LYS 86 N -1.32 3.93 -0.11 1.70 2.20 -0.57 -4.92 119.74 120.65 3k1r s LYS 86 Ca 0.38 -0.36 -0.01 0.00 -0.36 0.00 0.00 55.97 55.62 3k1r s LYS 86 Cb -0.22 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.77 3k1r s LYS 86 CO 0.26 0.13 -0.06 -2.00 -0.36 0.00 0.00 175.35 173.32 3k1r s GLU 87 N 0.78 3.22 0.06 4.03 2.12 -1.26 0.12 118.70 127.78 3k1r s GLU 87 Ca 0.04 -0.54 0.03 0.00 0.36 0.00 0.00 54.97 54.87 3k1r s GLU 87 Cb -0.13 -2.75 -0.03 0.00 0.26 0.00 0.00 34.13 31.48 3k1r s GLU 87 CO 0.02 0.44 -0.10 0.14 -0.54 0.00 0.00 175.26 175.22 3k1r s VAL 88 N -0.20 0.80 -0.18 3.70 -7.23 -0.01 -5.00 120.40 112.28 3k1r s VAL 88 Ca 0.03 -1.28 -0.01 0.00 -1.81 0.00 0.00 61.98 58.91 3k1r s VAL 88 Cb -0.13 -0.93 0.01 0.00 0.56 0.00 0.00 36.38 35.89 3k1r s VAL 88 CO 0.03 -0.38 -0.14 -0.60 -0.31 0.00 0.00 175.10 173.69 3k1r s ARG 89 N -1.93 3.16 0.04 4.82 6.06 -1.26 -0.86 118.95 128.98 3k1r s ARG 89 Ca -0.04 -0.75 0.08 0.00 -2.50 0.00 0.00 55.73 52.52 3k1r s ARG 89 Cb -0.08 -2.71 -0.03 0.00 0.06 0.00 0.00 34.95 32.19 3k1r s ARG 89 CO 0.01 -0.15 -0.23 -0.51 -2.50 0.00 0.00 175.30 171.92 3k1r s LEU 90 N 1.22 2.35 -0.34 -0.88 1.02 0.12 -4.99 118.68 117.18 3k1r s LEU 90 Ca 0.02 -0.52 -0.13 0.00 0.02 0.00 0.00 54.13 53.52 3k1r s LEU 90 Cb -0.14 -1.38 -0.01 0.00 0.02 0.00 0.00 46.19 44.68 3k1r s LEU 90 CO -0.07 0.26 0.24 -0.62 0.02 0.00 0.00 176.35 176.18 3k1r s ASP 91 N -1.33 6.01 0.28 2.29 -1.08 -1.26 -0.60 116.67 120.98 3k1r s ASP 91 Ca 0.13 -0.48 0.14 0.00 -0.52 0.00 0.00 52.55 51.82 3k1r s ASP 91 Cb -0.10 -2.13 0.26 0.00 -1.46 0.00 0.00 42.92 39.49 3k1r s ASP 91 CO 0.03 -0.25 1.53 0.03 0.52 0.00 0.00 175.17 177.04 3k1r h ARG 92 N 8.49 0.00 -0.01 4.34 3.08 -1.72 -3.16 114.38 125.40 3k1r h ARG 92 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.74 3k1r h ARG 92 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.20 3k1r h ARG 92 CO 0.64 0.58 0.00 1.28 -1.07 0.00 0.00 179.97 181.40 3k1r n LEU 93 N -3.44 0.17 -4.74 3.04 4.77 -1.24 -4.70 117.00 110.86 3k1r n LEU 93 Ca 0.00 -0.06 -0.42 0.00 -0.03 0.00 0.00 56.01 55.50 3k1r n LEU 93 Cb 0.68 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.75 3k1r n LEU 93 CO 0.41 0.03 1.29 -2.28 -1.33 0.00 0.00 177.39 175.51 3k1r s HIS 94 N -1.99 2.79 0.52 -1.77 2.46 -1.20 -4.88 115.29 111.22 3k1r s HIS 94 Ca 0.39 0.64 0.33 0.00 0.47 0.00 0.00 55.06 56.88 3k1r s HIS 94 Cb 0.18 -4.10 1.47 0.00 -0.13 0.00 0.00 32.58 30.00 3k1r s HIS 94 CO 0.30 -3.86 1.81 -1.35 -2.47 0.00 0.00 174.74 169.17 3k1r h PRO 95 N 5.44 0.06 -0.45 2.88 0.11 -1.93 -0.56 132.00 137.56 3k1r h PRO 95 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3k1r h PRO 95 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3k1r h PRO 95 CO 0.84 0.04 0.00 0.39 -0.21 0.00 0.00 178.00 179.07 3k1r n GLU 96 N -4.27 2.81 0.00 1.05 1.02 -1.26 -5.10 120.64 114.90 3k1r n GLU 96 Ca 0.25 -2.22 0.00 0.00 -0.02 0.00 0.00 57.16 55.17 3k1r n GLU 96 Cb 1.16 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 31.22 3k1r n GLU 96 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k1r n GLY 97 N 0.84 -0.99 0.08 0.62 0.00 -0.22 -4.21 105.19 101.31 3k1r n GLY 97 Ca 0.15 -1.20 -0.05 0.00 0.00 0.00 0.00 46.02 44.92 3k1r n GLY 97 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3k1r h LEU 98 N 0.00 0.00 -0.71 0.99 3.38 -1.88 -3.42 115.31 113.67 3k1r h LEU 98 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3k1r h LEU 98 Cb 0.00 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.78 3k1r h LEU 98 CO 0.00 0.89 -0.17 0.61 0.09 0.00 0.00 178.44 179.86 3k1r n GLY 99 N 1.32 0.52 3.23 0.83 0.00 -1.26 -0.91 105.19 108.92 3k1r n GLY 99 Ca 0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 3k1r n GLY 99 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3k1r s LEU 100 N -2.45 1.12 0.26 0.99 0.05 -1.26 -1.73 118.68 115.66 3k1r s LEU 100 Ca 0.13 -0.49 0.11 0.00 0.05 0.00 0.00 54.13 53.93 3k1r s LEU 100 Cb -0.06 1.25 -0.05 0.00 -2.05 0.00 0.00 46.19 45.29 3k1r s LEU 100 CO 0.16 -0.73 -0.11 -0.44 -0.55 0.00 0.00 176.35 174.68 3k1r s SER 101 N -2.67 4.02 -0.09 1.48 0.01 -0.42 -4.96 113.70 111.07 3k1r s SER 101 Ca 0.02 -0.83 -0.06 0.00 1.31 0.00 0.00 55.95 56.39 3k1r s SER 101 Cb 0.03 -0.55 0.03 0.00 0.21 0.00 0.00 66.02 65.74 3k1r s SER 101 CO -0.10 0.03 0.23 -0.69 0.41 0.00 0.00 173.24 173.13 3k1r s VAL 102 N -2.32 -0.02 0.02 3.43 1.01 -1.26 -1.49 120.40 119.77 3k1r s VAL 102 Ca 0.30 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.36 3k1r s VAL 102 Cb -0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.96 3k1r s VAL 102 CO 0.17 0.03 -0.03 0.00 0.00 0.00 0.00 175.10 175.26 3k1r s ARG 103 N 0.71 0.35 0.00 2.72 1.70 -0.74 -4.94 118.95 118.75 3k1r s ARG 103 Ca -0.05 -0.67 0.00 0.00 -0.47 0.00 0.00 55.73 54.54 3k1r s ARG 103 Cb -0.06 0.08 0.00 0.00 -0.57 0.00 0.00 34.95 34.39 3k1r s ARG 103 CO -0.04 -0.04 0.00 0.41 -1.08 0.00 0.00 175.30 174.54 3k1r n GLY 104 N 1.48 0.92 0.00 3.88 0.00 -1.26 -1.20 105.19 109.01 3k1r n GLY 104 Ca -0.23 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.50 3k1r n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1r n GLY 105 N -0.86 3.05 0.35 -0.02 0.00 -1.05 -3.99 105.19 102.68 3k1r n GLY 105 Ca 0.00 -1.44 0.14 0.00 0.00 0.00 0.00 46.02 44.72 3k1r n GLY 105 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3k1r h LEU 106 N 0.00 0.26 -0.69 0.99 5.85 -0.75 -1.00 115.31 119.97 3k1r h LEU 106 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3k1r h LEU 106 Cb 0.00 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.98 3k1r h LEU 106 CO 0.00 0.15 0.00 -1.84 -0.34 0.00 0.00 178.44 176.41 3k1r n GLU 107 N -4.46 0.18 0.00 1.25 0.00 -1.26 -2.15 120.64 114.20 3k1r n GLU 107 Ca 0.09 0.42 0.09 0.00 0.00 0.00 0.00 57.16 57.77 3k1r n GLU 107 Cb 0.41 -1.86 -0.05 0.00 0.00 0.00 0.00 31.44 29.95 3k1r n GLU 107 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 3k1r n PHE 108 N -2.20 0.00 -1.45 -1.84 3.72 -0.38 -4.98 117.46 110.33 3k1r n PHE 108 Ca 0.02 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.36 3k1r n PHE 108 Cb 0.22 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.74 3k1r n PHE 108 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3k1r n GLY 109 N 1.37 0.66 3.14 1.37 0.00 -0.91 -4.92 105.19 105.89 3k1r n GLY 109 Ca 0.06 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.27 3k1r n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k1r n GLY 111 N 0.00 -1.75 3.64 0.00 0.00 -1.26 -2.51 105.19 103.31 3k1r n GLY 111 Ca -0.11 -1.60 -0.37 0.00 0.00 0.00 0.00 46.02 43.94 3k1r n GLY 111 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k1r s LEU 112 N 0.00 4.09 -0.02 0.99 2.96 -1.26 -3.50 118.68 121.93 3k1r s LEU 112 Ca 0.27 0.12 0.07 0.00 -0.22 0.00 0.00 54.13 54.37 3k1r s LEU 112 Cb -0.01 -2.16 -0.02 0.00 0.50 0.00 0.00 46.19 44.50 3k1r s LEU 112 CO 0.20 0.01 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.64 3k1r s PHE 113 N 1.34 2.05 -0.19 5.38 0.08 -0.34 -0.37 117.98 125.92 3k1r s PHE 113 Ca 0.09 -0.41 -0.29 0.00 0.12 0.00 0.00 56.93 56.43 3k1r s PHE 113 Cb -0.14 -1.33 -0.02 0.00 -0.57 0.00 0.00 43.02 40.96 3k1r s PHE 113 CO 0.07 -0.05 1.38 0.42 -0.10 0.00 0.00 175.22 176.94 3k1r s ILE 114 N -0.48 4.06 -0.04 0.64 1.01 -0.44 -1.80 121.20 124.14 3k1r s ILE 114 Ca 0.07 1.25 0.15 0.00 0.00 0.00 0.00 60.65 62.13 3k1r s ILE 114 Cb -0.09 -3.92 -0.24 0.00 0.01 0.00 0.00 42.46 38.22 3k1r s ILE 114 CO -0.00 -0.24 0.30 -1.54 0.00 0.00 0.00 174.94 173.45 3k1r n SER 115 N 7.23 1.37 -3.85 3.58 3.41 -0.55 -1.74 113.62 123.07 3k1r n SER 115 Ca 0.15 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.65 3k1r n SER 115 Cb 0.45 1.57 -0.11 0.00 -0.26 0.00 0.00 64.21 65.86 3k1r n SER 115 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3k1r s HIS 116 N -2.97 -0.05 -0.04 7.33 3.76 -1.24 -4.93 115.29 117.15 3k1r s HIS 116 Ca -0.06 0.12 0.04 0.00 -0.15 0.00 0.00 55.06 55.00 3k1r s HIS 116 Cb 0.09 -0.00 0.00 0.00 1.11 0.00 0.00 32.58 33.78 3k1r s HIS 116 CO 0.65 -0.17 -0.15 -0.51 -0.85 0.00 0.00 174.74 173.72 3k1r s LEU 117 N -0.61 1.86 -0.36 0.89 1.43 -1.26 -1.30 118.68 119.32 3k1r s LEU 117 Ca -0.07 -0.31 -0.21 0.00 -1.03 0.00 0.00 54.13 52.51 3k1r s LEU 117 Cb -0.04 -0.85 0.01 0.00 0.03 0.00 0.00 46.19 45.33 3k1r s LEU 117 CO 0.01 0.12 0.67 -0.63 0.23 0.00 0.00 176.35 176.75 3k1r s ILE 118 N 0.14 4.85 0.02 -0.59 1.01 -0.71 -5.00 121.20 120.92 3k1r s ILE 118 Ca -0.05 0.63 -0.30 0.00 0.00 0.00 0.00 60.65 60.94 3k1r s ILE 118 Cb -0.11 -4.12 -0.08 0.00 0.01 0.00 0.00 42.46 38.16 3k1r s ILE 118 CO 0.02 -0.36 1.93 -0.75 0.00 0.00 0.00 174.94 175.78 3k1r s LYS 119 N 2.81 4.14 0.00 2.79 2.20 -1.26 -0.71 119.74 129.71 3k1r s LYS 119 Ca 0.26 2.55 0.00 0.00 -0.36 0.00 0.00 55.97 58.42 3k1r s LYS 119 Cb -0.14 -4.14 0.00 0.00 -1.51 0.00 0.00 37.83 32.04 3k1r s LYS 119 CO 0.16 -0.94 0.00 0.41 -0.36 0.00 0.00 175.35 174.61 3k1r n GLY 120 N 4.49 0.83 3.02 5.54 0.00 -1.26 -5.07 105.19 112.74 3k1r n GLY 120 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 3k1r n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1r n GLY 121 N -2.00 -1.80 0.19 -0.02 0.00 0.11 -4.79 105.19 96.87 3k1r n GLY 121 Ca 0.00 -1.64 -0.12 0.00 0.00 0.00 0.00 46.02 44.27 3k1r n GLY 121 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3k1r h GLN 122 N 0.00 0.59 -0.48 1.61 4.15 -1.81 -1.00 115.11 118.17 3k1r h GLN 122 Ca -0.34 -0.23 -0.01 0.00 0.77 0.00 0.00 58.65 58.85 3k1r h GLN 122 Cb 0.97 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.60 3k1r h GLN 122 CO 0.24 0.78 0.27 0.00 -1.93 0.00 0.00 178.83 178.19 3k1r h ALA 123 N 0.79 0.61 -0.59 3.38 0.00 -1.27 -2.75 119.26 119.43 3k1r h ALA 123 Ca 0.08 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3k1r h ALA 123 Cb 0.56 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3k1r h ALA 123 CO 0.03 0.12 0.39 0.22 0.00 0.00 0.00 179.25 180.01 3k1r h ASP 124 N 0.63 0.67 0.26 0.00 3.58 -1.77 -1.88 116.42 117.91 3k1r h ASP 124 Ca 0.17 -0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.55 3k1r h ASP 124 Cb 0.03 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.90 3k1r h ASP 124 CO -0.03 0.49 -0.24 0.77 -2.88 0.00 0.00 179.24 177.35 3k1r h SER 125 N 0.79 0.00 0.12 2.28 4.64 -0.98 -1.55 113.55 118.85 3k1r h SER 125 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3k1r h SER 125 Cb -0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 3k1r h SER 125 CO -0.05 0.24 -0.08 1.33 -0.87 0.00 0.00 176.83 177.41 3k1r n VAL 126 N -4.21 0.00 -0.43 0.95 0.24 -1.06 -4.94 118.33 108.88 3k1r n VAL 126 Ca -0.02 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 3k1r n VAL 126 Cb 0.30 0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 3k1r n VAL 126 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k1r n GLY 127 N 1.21 0.83 3.81 7.63 0.00 -0.58 -4.99 105.19 113.10 3k1r n GLY 127 Ca 0.17 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 3k1r n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k1r s LEU 128 N 0.00 3.53 0.04 0.99 1.43 -0.72 -5.03 118.68 118.91 3k1r s LEU 128 Ca 0.00 1.75 0.03 0.00 -1.03 0.00 0.00 54.13 54.88 3k1r s LEU 128 Cb 0.00 -4.53 -0.02 0.00 0.03 0.00 0.00 46.19 41.67 3k1r s LEU 128 CO 0.00 -1.02 -0.08 -1.10 0.23 0.00 0.00 176.35 174.37 3k1r s GLN 129 N -4.08 0.56 0.08 1.70 -0.21 -1.26 -4.57 119.66 111.88 3k1r s GLN 129 Ca 0.62 -0.71 -0.31 0.00 0.02 0.00 0.00 55.36 54.99 3k1r s GLN 129 Cb -0.15 -0.38 -0.09 0.00 1.00 0.00 0.00 33.01 33.40 3k1r s GLN 129 CO 0.36 0.08 1.65 0.08 -2.12 0.00 0.00 175.29 175.34 3k1r s VAL 130 N -1.20 2.97 0.00 1.09 1.01 -1.26 -1.84 120.40 121.17 3k1r s VAL 130 Ca -0.07 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.37 3k1r s VAL 130 Cb -0.09 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.99 3k1r s VAL 130 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.72 3k1r n GLY 131 N 3.98 0.59 3.75 4.51 0.00 -0.71 -4.80 105.19 112.51 3k1r n GLY 131 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3k1r n GLY 131 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k1r s ASP 132 N -1.97 6.92 -0.21 1.61 1.01 -0.77 -1.63 116.67 121.64 3k1r s ASP 132 Ca 0.00 2.48 -0.10 0.00 0.71 0.00 0.00 52.55 55.65 3k1r s ASP 132 Cb 0.00 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 3k1r s ASP 132 CO 0.00 -0.45 0.12 -0.70 0.21 0.00 0.00 175.17 174.35 3k1r s GLU 133 N -0.99 4.10 -0.24 8.23 2.12 0.34 -1.33 118.70 130.93 3k1r s GLU 133 Ca 0.51 -0.26 -0.28 0.00 0.36 0.00 0.00 54.97 55.30 3k1r s GLU 133 Cb -0.37 -3.40 0.01 0.00 0.26 0.00 0.00 34.13 30.63 3k1r s GLU 133 CO 0.44 0.22 0.98 0.42 -0.54 0.00 0.00 175.26 176.78 3k1r s ILE 134 N 0.56 4.72 -0.24 -3.70 1.01 0.50 -0.47 121.20 123.58 3k1r s ILE 134 Ca 0.07 1.86 0.12 0.00 0.00 0.00 0.00 60.65 62.71 3k1r s ILE 134 Cb -0.12 -4.26 -0.17 0.00 0.01 0.00 0.00 42.46 37.92 3k1r s ILE 134 CO 0.00 -0.17 0.37 1.33 0.00 0.00 0.00 174.94 176.48 3k1r n VAL 135 N 5.34 0.00 -3.72 2.92 0.24 -0.41 -4.36 118.33 118.35 3k1r n VAL 135 Ca 0.10 -0.26 -0.12 0.00 -2.04 0.00 0.00 64.34 62.02 3k1r n VAL 135 Cb 0.47 0.53 -0.11 0.00 -1.47 0.00 0.00 33.84 33.26 3k1r n VAL 135 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3k1r s ARG 136 N -2.59 0.41 -0.12 7.34 3.52 -1.17 -4.05 118.95 122.29 3k1r s ARG 136 Ca -0.01 0.66 0.01 0.00 -0.13 0.00 0.00 55.73 56.26 3k1r s ARG 136 Cb 0.09 0.08 0.02 0.00 -1.56 0.00 0.00 34.95 33.58 3k1r s ARG 136 CO 0.52 -0.11 -0.13 0.42 -0.81 0.00 0.00 175.30 175.18 3k1r s ILE 137 N 0.84 1.43 -1.25 4.11 1.01 -0.91 -0.96 121.20 125.48 3k1r s ILE 137 Ca -0.05 -0.57 -0.08 0.00 0.00 0.00 0.00 60.65 59.95 3k1r s ILE 137 Cb -0.06 -1.34 0.06 0.00 0.01 0.00 0.00 42.46 41.13 3k1r s ILE 137 CO -0.06 0.43 0.43 0.59 0.00 0.00 0.00 174.94 176.33 3k1r n ASN 138 N 4.54 -3.77 0.00 3.58 3.02 -0.16 -0.97 115.26 121.50 3k1r n ASN 138 Ca -0.17 -0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.07 3k1r n ASN 138 Cb 0.51 -3.13 0.00 0.00 -0.61 0.00 0.00 39.78 36.55 3k1r n ASN 138 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k1r n GLY 139 N -1.13 1.45 3.82 7.41 0.00 -1.26 -5.03 105.19 110.44 3k1r n GLY 139 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 3k1r n GLY 139 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k1r s TYR 140 N -2.57 3.67 0.32 1.61 2.02 -0.15 -5.06 117.35 117.19 3k1r s TYR 140 Ca 0.00 0.90 -0.29 0.00 -0.37 0.00 0.00 57.07 57.31 3k1r s TYR 140 Cb 0.00 -2.28 -0.10 0.00 -0.40 0.00 0.00 41.96 39.18 3k1r s TYR 140 CO 0.00 0.57 1.26 -1.12 -1.57 0.00 0.00 175.55 174.70 3k1r s SER 141 N -0.76 6.88 -0.11 2.29 0.01 -1.26 -2.13 113.70 118.61 3k1r s SER 141 Ca 0.22 2.60 0.15 0.00 1.31 0.00 0.00 55.95 60.24 3k1r s SER 141 Cb -0.16 -2.64 0.24 0.00 0.21 0.00 0.00 66.02 63.67 3k1r s SER 141 CO 0.11 -0.45 1.13 2.30 0.41 0.00 0.00 173.24 176.74 3k1r n ILE 142 N 0.90 1.73 0.28 1.44 -5.35 -1.26 -4.74 119.36 112.37 3k1r n ILE 142 Ca -0.00 -2.02 0.17 0.00 -0.27 0.00 0.00 62.75 60.63 3k1r n ILE 142 Cb 0.42 -0.10 0.79 0.00 -1.74 0.00 0.00 39.64 39.02 3k1r n ILE 142 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3k1r h SER 143 N 0.07 0.00 -0.36 7.28 4.64 -1.93 -2.60 113.55 120.64 3k1r h SER 143 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3k1r h SER 143 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3k1r h SER 143 CO 0.01 0.04 0.00 -1.20 -0.87 0.00 0.00 176.83 174.81 3k1r n SER 144 N -3.20 3.79 -4.79 4.97 7.64 -1.26 -4.81 113.62 115.95 3k1r n SER 144 Ca -0.01 -2.59 -0.36 0.00 1.01 0.00 0.00 58.87 56.93 3k1r n SER 144 Cb 0.26 -0.45 -0.07 0.00 -1.01 0.00 0.00 64.21 62.93 3k1r n SER 144 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3k1r s THR 146 N -0.57 2.34 0.20 0.00 -4.23 -1.26 -0.25 115.64 111.88 3k1r s THR 146 Ca 0.12 0.11 -0.10 0.00 -1.18 0.00 0.00 61.69 60.64 3k1r s THR 146 Cb -0.12 -2.75 0.13 0.00 1.34 0.00 0.00 72.50 71.10 3k1r s THR 146 CO 0.02 -0.14 1.79 -0.74 -0.54 0.00 0.00 174.62 175.01 3k1r h HIS 147 N -1.52 0.58 -0.49 3.99 2.76 -1.88 -2.63 115.15 115.95 3k1r h HIS 147 Ca -0.51 0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 57.58 3k1r h HIS 147 Cb 1.31 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 30.09 3k1r h HIS 147 CO 0.35 0.26 -0.14 1.49 -1.30 0.00 0.00 177.93 178.59 3k1r h GLU 148 N 0.59 0.94 -0.78 5.26 4.81 -1.93 -2.22 114.58 121.25 3k1r h GLU 148 Ca 0.28 -0.35 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 3k1r h GLU 148 Cb 0.21 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 3k1r h GLU 148 CO -0.20 1.01 0.30 0.93 -0.73 0.00 0.00 179.01 180.33 3k1r h GLU 149 N 0.83 1.17 -0.46 1.92 5.08 -1.88 0.52 114.58 121.76 3k1r h GLU 149 Ca 0.13 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 3k1r h GLU 149 Cb 0.68 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 3k1r h GLU 149 CO 0.05 0.95 0.12 0.28 -1.00 0.00 0.00 179.01 179.42 3k1r h VAL 150 N 1.14 1.23 -0.25 3.13 2.07 -1.29 -0.07 116.25 122.20 3k1r h VAL 150 Ca 0.26 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 3k1r h VAL 150 Cb 0.23 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3k1r h VAL 150 CO -0.02 0.28 0.11 0.40 0.02 0.00 0.00 177.57 178.36 3k1r h ILE 151 N 0.61 1.16 -0.91 4.57 1.08 -1.09 -1.09 117.51 121.84 3k1r h ILE 151 Ca 0.15 -0.48 0.00 0.00 -0.39 0.00 0.00 64.86 64.15 3k1r h ILE 151 Cb 0.30 1.01 -0.04 0.00 -3.07 0.00 0.00 36.82 35.02 3k1r h ILE 151 CO -0.00 0.16 0.59 0.78 -0.69 0.00 0.00 178.15 178.99 3k1r h ASN 152 N 0.26 1.06 -0.58 1.72 2.35 -0.83 -2.45 115.58 117.11 3k1r h ASN 152 Ca 0.08 -0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.71 3k1r h ASN 152 Cb 0.15 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 3k1r h ASN 152 CO -0.01 0.78 0.04 0.25 -1.65 0.00 0.00 177.43 176.84 3k1r h LEU 153 N 1.25 0.99 -1.24 1.61 5.85 -0.70 -2.40 115.31 120.67 3k1r h LEU 153 Ca 0.33 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3k1r h LEU 153 Cb -0.12 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.62 3k1r h LEU 153 CO -0.07 1.02 0.38 0.40 -0.34 0.00 0.00 178.44 179.84 3k1r h ILE 154 N 0.95 1.19 -0.24 4.05 2.04 -0.91 -3.01 117.51 121.59 3k1r h ILE 154 Ca 0.18 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.59 3k1r h ILE 154 Cb 0.50 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 3k1r h ILE 154 CO 0.02 0.21 0.00 0.54 0.00 0.00 0.00 178.15 178.92 3k1r n ARG 155 N -4.39 1.76 -0.11 2.37 1.74 -0.94 -4.29 116.66 112.80 3k1r n ARG 155 Ca 0.07 -1.16 -0.11 0.00 -0.77 0.00 0.00 57.85 55.88 3k1r n ARG 155 Cb 0.08 -1.35 -0.03 0.00 -1.02 0.00 0.00 32.46 30.14 3k1r n ARG 155 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 3k1r h THR 156 N 2.14 1.28 -2.11 0.55 1.35 -1.33 -3.46 112.91 111.34 3k1r h THR 156 Ca 0.00 -1.08 -0.59 0.00 -0.55 0.00 0.00 66.41 64.19 3k1r h THR 156 Cb 0.48 1.34 -0.12 0.00 -1.73 0.00 0.00 68.15 68.12 3k1r h THR 156 CO 0.00 0.35 -0.68 -1.61 -0.25 0.00 0.00 175.52 173.33 3k1r s GLU 157 N -4.82 1.99 0.59 4.72 0.41 -1.26 -5.02 118.70 115.31 3k1r s GLU 157 Ca -0.13 -1.67 0.36 0.00 -0.41 0.00 0.00 54.97 53.12 3k1r s GLU 157 Cb 0.09 -1.93 1.86 0.00 -1.78 0.00 0.00 34.13 32.37 3k1r s GLU 157 CO 0.78 0.27 2.20 0.87 -0.49 0.00 0.00 175.26 178.89 3k1r h LYS 158 N 2.00 0.00 -5.63 1.61 1.57 -1.92 -3.42 116.57 110.79 3k1r h LYS 158 Ca -0.42 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 57.90 3k1r h LYS 158 Cb 1.25 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.39 3k1r h LYS 158 CO 0.63 0.04 -0.76 -0.08 -0.57 0.00 0.00 179.45 178.70 3k1r s THR 159 N -4.14 1.57 -0.02 -0.16 -1.32 -1.26 -1.90 115.64 108.41 3k1r s THR 159 Ca -0.03 -1.88 0.01 0.00 -1.21 0.00 0.00 61.69 58.58 3k1r s THR 159 Cb 0.13 -1.74 0.01 0.00 -1.51 0.00 0.00 72.50 69.39 3k1r s THR 159 CO 0.51 -0.42 -0.02 0.54 -2.21 0.00 0.00 174.62 173.02 3k1r s VAL 160 N -2.27 0.26 -0.17 5.08 0.11 0.23 -4.94 120.40 118.71 3k1r s VAL 160 Ca 0.14 -0.04 -0.06 0.00 -2.93 0.00 0.00 61.98 59.08 3k1r s VAL 160 Cb -0.04 -0.29 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 3k1r s VAL 160 CO 0.05 0.13 0.02 -0.94 -3.33 0.00 0.00 175.10 171.03 3k1r s SER 161 N 0.52 5.30 -0.10 3.54 1.04 -1.26 0.12 113.70 122.85 3k1r s SER 161 Ca -0.05 -0.01 0.03 0.00 0.48 0.00 0.00 55.95 56.40 3k1r s SER 161 Cb -0.08 -1.89 -0.00 0.00 0.10 0.00 0.00 66.02 64.14 3k1r s SER 161 CO -0.01 0.17 -0.22 -0.63 0.98 0.00 0.00 173.24 173.53 3k1r s ILE 162 N 0.40 2.24 -0.14 -1.02 1.01 -0.04 -0.99 121.20 122.66 3k1r s ILE 162 Ca 0.00 -0.96 -0.06 0.00 0.00 0.00 0.00 60.65 59.64 3k1r s ILE 162 Cb -0.13 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 3k1r s ILE 162 CO 0.01 0.55 0.07 -0.54 0.00 0.00 0.00 174.94 175.04 3k1r s LYS 163 N 0.29 3.57 0.03 2.79 1.02 -0.13 -0.83 119.74 126.48 3k1r s LYS 163 Ca -0.16 -0.29 0.04 0.00 0.02 0.00 0.00 55.97 55.57 3k1r s LYS 163 Cb -0.17 -3.10 -0.02 0.00 -0.52 0.00 0.00 37.83 34.01 3k1r s LYS 163 CO 0.08 0.54 -0.11 0.08 -0.92 0.00 0.00 175.35 175.01 3k1r s VAL 164 N -0.37 0.88 -0.11 3.17 1.01 0.12 -1.28 120.40 123.81 3k1r s VAL 164 Ca 0.09 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.18 3k1r s VAL 164 Cb -0.12 -0.82 0.02 0.00 0.00 0.00 0.00 36.38 35.46 3k1r s VAL 164 CO 0.02 -0.07 -0.12 -0.60 0.00 0.00 0.00 175.10 174.33 3k1r s ARG 165 N -1.09 1.95 -0.13 2.72 3.52 0.38 -1.50 118.95 124.80 3k1r s ARG 165 Ca -0.01 -0.45 -0.28 0.00 -0.13 0.00 0.00 55.73 54.86 3k1r s ARG 165 Cb -0.07 -1.76 -0.01 0.00 -1.56 0.00 0.00 34.95 31.54 3k1r s ARG 165 CO 0.01 -0.14 0.94 -1.58 -0.81 0.00 0.00 175.30 173.72 3k1r s HIS 166 N 1.23 3.47 -0.13 5.12 5.65 -1.26 0.13 115.29 129.50 3k1r s HIS 166 Ca -0.02 1.46 -0.06 0.00 0.25 0.00 0.00 55.06 56.69 3k1r s HIS 166 Cb -0.14 -3.12 -0.06 0.00 -1.18 0.00 0.00 32.58 28.08 3k1r s HIS 166 CO -0.04 -0.24 -0.16 -0.89 -0.65 0.00 0.00 174.74 172.76 3k1r n ILE 167 N 4.63 0.72 -0.49 0.89 2.08 -0.65 -4.46 119.36 122.09 3k1r n ILE 167 Ca 0.07 -0.20 0.00 0.00 0.56 0.00 0.00 62.75 63.18 3k1r n ILE 167 Cb 0.49 -1.57 0.00 0.00 -0.75 0.00 0.00 39.64 37.81 3k1r n ILE 167 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3k1r n GLY 168 N 2.28 0.74 3.24 7.39 0.00 -0.72 -4.87 105.19 113.24 3k1r n GLY 168 Ca -0.25 -0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 3k1r n GLY 168 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k1r s LEU 169 N 0.00 2.33 -0.09 0.99 1.43 -1.26 -2.66 118.68 119.43 3k1r s LEU 169 Ca 0.00 -0.72 0.03 0.00 -1.03 0.00 0.00 54.13 52.42 3k1r s LEU 169 Cb 0.00 -0.67 0.00 0.00 0.03 0.00 0.00 46.19 45.56 3k1r s LEU 169 CO 0.00 -0.05 -0.20 -0.63 0.23 0.00 0.00 176.35 175.69 3k1r s ILE 170 N -1.56 1.78 0.30 -0.59 -1.09 0.10 -4.67 121.20 115.49 3k1r s ILE 170 Ca 0.05 -0.86 -0.29 0.00 -2.23 0.00 0.00 60.65 57.33 3k1r s ILE 170 Cb -0.08 -1.56 -0.10 0.00 -1.58 0.00 0.00 42.46 39.14 3k1r s ILE 170 CO 0.03 0.50 1.12 -2.16 -1.23 0.00 0.00 174.94 173.20 3k1r s PRO 171 N 0.45 4.55 -0.03 2.79 0.04 -1.26 -1.04 135.00 140.50 3k1r s PRO 171 Ca -0.17 1.83 0.02 0.00 0.04 0.00 0.00 61.00 62.71 3k1r s PRO 171 Cb -0.17 -3.11 0.01 0.00 0.04 0.00 0.00 34.50 31.27 3k1r s PRO 171 CO 0.07 0.12 -0.07 0.08 0.04 0.00 0.00 177.00 177.24 3k1r s VAL 172 N -1.21 0.67 -0.37 -0.36 1.01 0.68 -4.92 120.40 115.90 3k1r s VAL 172 Ca 0.46 -0.26 0.07 0.00 0.00 0.00 0.00 61.98 62.25 3k1r s VAL 172 Cb -0.32 -0.63 0.19 0.00 0.00 0.00 0.00 36.38 35.62 3k1r s VAL 172 CO 0.41 0.23 0.63 -0.75 0.00 0.00 0.00 175.10 175.62 3k1r s LYS 173 N 0.46 0.71 0.20 2.72 2.20 -1.26 -1.26 119.74 123.51 3k1r s LYS 173 Ca -0.07 0.03 0.25 0.00 -0.36 0.00 0.00 55.97 55.82 3k1r s LYS 173 Cb -0.11 0.15 0.89 0.00 -1.51 0.00 0.00 37.83 37.25 3k1r s LYS 173 CO 0.01 -1.11 1.76 -1.13 -0.36 0.00 0.00 175.35 174.52 3k1r n SER 174 N 4.75 0.68 -3.77 1.43 3.41 -1.26 -4.83 113.62 114.04 3k1r n SER 174 Ca 0.09 0.59 -0.10 0.00 -0.26 0.00 0.00 58.87 59.19 3k1r n SER 174 Cb 0.56 -0.76 -0.05 0.00 -0.26 0.00 0.00 64.21 63.69 3k1r n SER 174 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3k1r s SER 175 N -4.27 -0.11 0.58 4.04 1.04 -1.26 -5.03 113.70 108.70 3k1r s SER 175 Ca 0.09 -0.53 0.35 0.00 0.48 0.00 0.00 55.95 56.33 3k1r s SER 175 Cb 0.12 0.46 1.88 0.00 0.10 0.00 0.00 66.02 68.58 3k1r s SER 175 CO 0.52 -0.87 2.05 -0.65 0.98 0.00 0.00 173.24 175.27 3k1r h PRO 176 N 2.45 0.00 0.00 4.02 0.11 -2.03 -2.07 132.00 134.48 3k1r h PRO 176 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3k1r h PRO 176 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3k1r h PRO 176 CO 0.47 0.00 -1.35 -0.25 -0.21 0.00 0.00 178.00 176.66 3k1r n ASP 177 N -2.81 0.67 -4.77 -2.05 8.00 -1.26 -4.97 116.55 109.36 3k1r n ASP 177 Ca -0.02 -0.58 -0.37 0.00 0.71 0.00 0.00 54.79 54.53 3k1r n ASP 177 Cb 0.17 1.38 0.00 0.00 -0.02 0.00 0.00 41.12 42.65 3k1r n ASP 177 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3k1r s GLU 178 N -3.11 3.62 0.60 -1.24 0.41 -0.78 -5.03 118.70 113.17 3k1r s GLU 178 Ca 0.01 1.86 -0.13 0.00 -0.41 0.00 0.00 54.97 56.31 3k1r s GLU 178 Cb 0.14 -2.37 -0.04 0.00 -1.78 0.00 0.00 34.13 30.09 3k1r s GLU 178 CO 0.84 -0.69 1.03 -2.14 -0.49 0.00 0.00 175.26 173.80 3k1r s PRO 179 N -2.76 3.51 -0.12 0.39 0.02 -1.26 -4.89 135.00 129.91 3k1r s PRO 179 Ca 0.65 0.91 -0.29 0.00 0.02 0.00 0.00 61.00 62.29 3k1r s PRO 179 Cb -0.31 -2.07 -0.03 0.00 0.02 0.00 0.00 34.50 32.11 3k1r s PRO 179 CO 0.37 -0.64 1.41 -1.17 -0.33 0.00 0.00 177.00 176.65 3k1r s LEU 180 N -4.86 4.24 0.44 -5.54 2.96 -1.26 -4.63 118.68 110.03 3k1r s LEU 180 Ca 0.58 1.91 0.05 0.00 -0.22 0.00 0.00 54.13 56.45 3k1r s LEU 180 Cb -0.12 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.98 3k1r s LEU 180 CO 0.46 -0.82 0.02 0.42 -1.32 0.00 0.00 176.35 175.10 3k1r s THR 181 N 3.63 1.60 -0.02 3.68 -4.23 -0.39 -4.97 115.64 114.94 3k1r s THR 181 Ca 0.62 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.18 3k1r s THR 181 Cb -0.26 -2.67 -0.01 0.00 1.34 0.00 0.00 72.50 70.90 3k1r s THR 181 CO 0.21 0.00 -0.16 0.26 -0.54 0.00 0.00 174.62 174.39 3k1r s TRP 182 N -2.83 1.49 -0.03 3.99 0.52 -1.26 -0.23 118.94 120.59 3k1r s TRP 182 Ca 0.25 -0.33 0.07 0.00 0.02 0.00 0.00 56.10 56.11 3k1r s TRP 182 Cb 0.07 -0.98 -0.02 0.00 -1.15 0.00 0.00 33.47 31.39 3k1r s TRP 182 CO 0.12 -0.07 -0.24 -0.65 0.02 0.00 0.00 176.95 176.14 3k1r s GLN 183 N -0.23 2.27 0.56 4.98 -0.21 -0.20 -4.93 119.66 121.90 3k1r s GLN 183 Ca 0.03 -0.89 -0.21 0.00 0.02 0.00 0.00 55.36 54.31 3k1r s GLN 183 Cb -0.08 -2.12 -0.04 0.00 1.00 0.00 0.00 33.01 31.77 3k1r s GLN 183 CO 0.00 0.52 1.29 0.71 -2.12 0.00 0.00 175.29 175.69 3k1r s TYR 184 N -0.51 2.36 0.21 0.91 1.51 -1.26 0.03 117.35 120.60 3k1r s TYR 184 Ca 0.07 1.45 -0.14 0.00 -1.01 0.00 0.00 57.07 57.43 3k1r s TYR 184 Cb -0.11 -3.65 0.23 0.00 -0.11 0.00 0.00 41.96 38.32 3k1r s TYR 184 CO 0.00 -2.56 1.62 0.28 -1.11 0.00 0.00 175.55 173.79 3k1r h VAL 185 N 1.24 0.33 -0.82 0.71 2.07 -1.86 -1.60 116.25 116.32 3k1r h VAL 185 Ca -0.51 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.14 3k1r h VAL 185 Cb 1.30 0.33 -0.09 0.00 -1.52 0.00 0.00 31.29 31.31 3k1r h VAL 185 CO 0.57 0.00 0.43 -2.24 0.02 0.00 0.00 177.57 176.34 3k1r h ASP 186 N -0.02 0.54 0.10 0.57 2.03 -1.91 -0.61 116.42 117.11 3k1r h ASP 186 Ca 0.30 0.08 -0.00 0.00 -0.73 0.00 0.00 57.03 56.68 3k1r h ASP 186 Cb 0.49 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 38.98 3k1r h ASP 186 CO -0.67 0.26 -0.05 -0.61 -1.03 0.00 0.00 179.24 177.14 3k1r h GLN 187 N 0.65 -0.13 -0.63 4.15 4.15 -1.67 -2.36 115.11 119.27 3k1r h GLN 187 Ca 0.43 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.88 3k1r h GLN 187 Cb 0.55 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.24 3k1r h GLN 187 CO -0.33 0.16 0.40 0.35 -1.93 0.00 0.00 178.83 177.49 3k1r h PHE 188 N -0.43 0.76 -0.58 3.99 3.57 -1.08 -0.95 116.94 122.23 3k1r h PHE 188 Ca -0.01 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 3k1r h PHE 188 Cb 0.35 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 3k1r h PHE 188 CO 0.02 0.46 0.01 0.28 -2.23 0.00 0.00 178.31 176.84 3k1r h VAL 189 N 0.81 1.26 -0.34 1.41 2.07 -1.18 -2.49 116.25 117.80 3k1r h VAL 189 Ca 0.24 -1.13 -0.12 0.00 0.82 0.00 0.00 66.70 66.51 3k1r h VAL 189 Cb -0.04 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3k1r h VAL 189 CO -0.07 0.41 -0.29 0.28 0.02 0.00 0.00 177.57 177.91 3k1r h SER 190 N 0.92 0.74 1.31 0.57 0.02 -1.16 -3.08 113.55 112.86 3k1r h SER 190 Ca 0.17 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 3k1r h SER 190 Cb 0.54 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.88 3k1r h SER 190 CO 0.03 0.98 -0.02 -0.62 -1.14 0.00 0.00 176.83 176.06 3k1r n GLU 191 N -4.08 0.18 0.00 3.45 1.02 -0.38 -5.10 120.64 115.72 3k1r n GLU 191 Ca -0.01 0.14 0.16 0.00 -0.02 0.00 0.00 57.16 57.44 3k1r n GLU 191 Cb 0.47 -1.70 0.95 0.00 -0.02 0.00 0.00 31.44 31.13 3k1r n GLU 191 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18