#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ksa s ILE 4 N 0.00 0.00 -0.14 -1.44 1.10 -1.26 -5.15 121.20 114.31 3ksa s ILE 4 Ca 0.00 0.00 -0.04 0.00 -0.51 0.00 0.00 60.65 60.10 3ksa s ILE 4 Cb 0.00 -1.00 -0.03 0.00 0.15 0.00 0.00 42.46 41.58 3ksa s ILE 4 CO 0.00 0.00 0.01 0.00 -2.11 0.00 0.00 174.94 172.84 3ksa s GLN 5 N 1.56 3.55 -0.25 3.50 -2.07 -1.26 -5.08 119.66 119.61 3ksa s GLN 5 Ca -0.09 -0.42 -0.09 0.00 -1.82 0.00 0.00 55.36 52.94 3ksa s GLN 5 Cb -0.05 -2.98 -0.04 0.00 -1.09 0.00 0.00 33.01 28.85 3ksa s GLN 5 CO -0.19 0.41 0.12 1.21 -1.32 0.00 0.00 175.29 175.52 3ksa s ASN 6 N -0.05 5.55 0.09 12.60 3.84 -1.26 -5.07 114.94 130.64 3ksa s ASN 6 Ca 0.04 -0.09 0.05 0.00 0.21 0.00 0.00 52.86 53.07 3ksa s ASN 6 Cb -0.13 -2.01 -0.03 0.00 -0.55 0.00 0.00 41.25 38.53 3ksa s ASN 6 CO 0.02 -0.01 -0.12 -0.04 -2.79 0.00 0.00 177.10 174.16 3ksa s MET 7 N 1.48 0.86 0.48 0.43 -1.94 -1.26 -5.15 119.30 114.19 3ksa s MET 7 Ca 0.06 -1.07 -0.08 0.00 -1.71 0.00 0.00 55.69 52.89 3ksa s MET 7 Cb -0.15 -0.71 0.11 0.00 2.01 0.00 0.00 34.83 36.09 3ksa s MET 7 CO 0.06 0.14 0.59 -1.13 -0.01 0.00 0.00 175.02 174.67 3ksa n SER 8 N 0.88 -0.29 -0.08 3.03 3.41 -1.26 -4.95 113.62 114.37 3ksa n SER 8 Ca -0.18 -1.13 -0.17 0.00 -0.26 0.00 0.00 58.87 57.13 3ksa n SER 8 Cb 0.56 -0.47 -0.13 0.00 -0.26 0.00 0.00 64.21 63.90 3ksa n SER 8 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3ksa n LEU 9 N 0.00 2.19 0.25 1.04 -0.00 -1.26 -3.29 117.00 115.94 3ksa n LEU 9 Ca 0.08 0.04 -0.15 0.00 -0.00 0.00 0.00 56.01 55.97 3ksa n LEU 9 Cb 0.27 -0.63 -0.08 0.00 -0.00 0.00 0.00 43.42 42.97 3ksa n LEU 9 CO 0.19 0.79 0.61 -0.33 -0.00 0.00 0.00 177.39 178.65 3ksa h GLU 10 N 0.02 -0.61 -0.08 1.96 4.39 -1.98 -1.37 114.58 116.91 3ksa h GLU 10 Ca -0.50 0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.24 3ksa h GLU 10 Cb 2.01 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 30.79 3ksa h GLU 10 CO -0.00 -0.33 0.03 0.38 -1.16 0.00 0.00 179.01 177.93 3ksa h ASP 11 N -0.79 0.10 -0.42 1.42 2.03 -1.98 0.76 116.42 117.54 3ksa h ASP 11 Ca -0.06 -0.15 0.06 0.00 -0.73 0.00 0.00 57.03 56.15 3ksa h ASP 11 Cb 0.55 -0.03 -0.05 0.00 -0.83 0.00 0.00 39.33 38.97 3ksa h ASP 11 CO 0.11 0.22 0.10 0.40 -1.03 0.00 0.00 179.24 179.04 3ksa h ILE 12 N -0.03 0.80 -0.67 4.15 2.04 -1.61 -0.71 117.51 121.48 3ksa h ILE 12 Ca 0.03 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 3ksa h ILE 12 Cb 0.15 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 3ksa h ILE 12 CO -0.00 0.04 0.33 0.24 0.00 0.00 0.00 178.15 178.76 3ksa h MET 13 N 0.24 0.95 0.17 2.37 2.86 -1.08 -1.65 114.93 118.78 3ksa h MET 13 Ca 0.20 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3ksa h MET 13 Cb 0.24 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 3ksa h MET 13 CO -0.25 0.73 -0.16 0.78 1.06 0.00 0.00 176.91 179.06 3ksa h GLY 14 N 1.02 -0.87 0.30 8.32 0.00 0.11 -1.10 103.07 110.85 3ksa h GLY 14 Ca 0.24 0.39 0.02 0.00 0.00 0.00 0.00 47.33 47.97 3ksa h GLY 14 CO -0.03 -0.30 -0.43 1.05 0.00 0.00 0.00 176.54 176.83 3ksa h GLU 15 N -0.33 -0.67 -0.85 4.80 4.11 -1.12 -1.39 114.58 119.13 3ksa h GLU 15 Ca -0.02 0.05 0.13 0.00 0.07 0.00 0.00 59.36 59.58 3ksa h GLU 15 Cb 0.28 0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 3ksa h GLU 15 CO -0.02 -0.44 0.55 0.00 0.07 0.00 0.00 179.01 179.17 3ksa h ARG 16 N -0.69 0.68 0.06 1.06 2.47 -1.36 -0.23 114.38 116.37 3ksa h ARG 16 Ca 0.01 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.69 3ksa h ARG 16 Cb 0.70 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.87 3ksa h ARG 16 CO -0.22 0.45 -0.03 0.35 0.56 0.00 0.00 179.97 181.08 3ksa h PHE 17 N 0.70 -0.08 -0.88 3.04 3.04 -0.81 -3.14 116.94 118.82 3ksa h PHE 17 Ca 0.42 -0.00 0.18 0.00 3.98 0.00 0.00 57.97 62.54 3ksa h PHE 17 Cb 0.62 0.03 -0.11 0.00 2.56 0.00 0.00 35.95 39.05 3ksa h PHE 17 CO -0.00 0.40 0.44 0.78 -2.02 0.00 0.00 178.31 177.90 3ksa h GLY 18 N -0.60 1.47 0.70 2.40 0.00 -0.12 0.27 103.07 107.19 3ksa h GLY 18 Ca -0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 3ksa h GLY 18 CO 0.01 -0.13 -0.49 3.21 0.00 0.00 0.00 176.54 179.15 3ksa h ARG 19 N 0.55 -1.09 -0.03 4.80 3.08 -1.16 -2.28 114.38 118.25 3ksa h ARG 19 Ca 0.51 0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.64 3ksa h ARG 19 Cb 0.83 0.25 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 3ksa h ARG 19 CO -0.42 -0.73 -0.01 -0.92 -1.07 0.00 0.00 179.97 176.81 3ksa h TYR 20 N -1.13 -0.03 -0.71 3.04 3.20 -1.28 -1.21 116.97 118.85 3ksa h TYR 20 Ca -0.09 0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.89 3ksa h TYR 20 Cb 0.93 0.02 -0.08 0.00 1.54 0.00 0.00 36.73 39.14 3ksa h TYR 20 CO -0.15 -0.02 0.31 0.66 -1.64 0.00 0.00 178.16 177.32 3ksa h SER 21 N -0.01 0.35 0.71 -2.11 4.64 -0.51 -0.78 113.55 115.83 3ksa h SER 21 Ca 0.02 0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.38 3ksa h SER 21 Cb 0.04 0.03 0.01 0.00 -0.31 0.00 0.00 62.40 62.17 3ksa h SER 21 CO -0.04 0.18 -0.34 0.50 -0.87 0.00 0.00 176.83 176.27 3ksa h LYS 22 N 0.51 -0.92 -1.00 4.77 3.64 -1.13 -2.31 116.57 120.14 3ksa h LYS 22 Ca 0.36 0.06 0.15 0.00 -1.27 0.00 0.00 60.65 59.96 3ksa h LYS 22 Cb 0.46 0.21 -0.10 0.00 -0.41 0.00 0.00 32.23 32.39 3ksa h LYS 22 CO -0.32 -0.59 0.61 -0.92 -2.27 0.00 0.00 179.45 175.96 3ksa h TYR 23 N -1.04 1.10 0.02 1.91 5.03 -0.48 -1.34 116.97 122.17 3ksa h TYR 23 Ca -0.10 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.24 3ksa h TYR 23 Cb 0.75 -0.34 0.00 0.00 1.55 0.00 0.00 36.73 38.69 3ksa h TYR 23 CO -0.01 0.34 -0.01 0.82 -1.32 0.00 0.00 178.16 177.98 3ksa h ILE 24 N 0.87 1.07 0.85 1.81 1.08 -1.14 0.81 117.51 122.85 3ksa h ILE 24 Ca 0.54 -0.28 -0.04 0.00 -0.39 0.00 0.00 64.86 64.69 3ksa h ILE 24 Cb 0.69 1.26 0.01 0.00 -3.07 0.00 0.00 36.82 35.70 3ksa h ILE 24 CO -0.33 0.07 -0.41 0.40 -0.69 0.00 0.00 178.15 177.20 3ksa h ILE 25 N -0.15 0.14 0.13 -0.67 2.04 -0.69 -1.02 117.51 117.29 3ksa h ILE 25 Ca -0.00 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 3ksa h ILE 25 Cb 0.14 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 3ksa h ILE 25 CO 0.01 0.00 -0.06 1.56 0.00 0.00 0.00 178.15 179.66 3ksa h GLN 26 N -1.17 -0.16 0.00 2.37 4.20 -1.42 -3.13 115.11 115.80 3ksa h GLN 26 Ca -0.12 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 3ksa h GLN 26 Cb 0.88 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.69 3ksa h GLN 26 CO 0.19 -0.11 -0.16 -0.44 -0.67 0.00 0.00 178.83 177.64 3ksa h ASP 27 N -0.26 0.00 0.00 1.46 5.19 -0.99 -3.42 116.42 118.40 3ksa h ASP 27 Ca -0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 3ksa h ASP 27 Cb 0.13 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.64 3ksa h ASP 27 CO 0.03 0.16 -0.33 0.54 -3.12 0.00 0.00 179.24 176.52 3ksa n ARG 28 N -3.25 0.18 -0.09 3.56 1.74 -0.72 -4.48 116.66 113.60 3ksa n ARG 28 Ca 0.01 0.07 -0.21 0.00 -0.77 0.00 0.00 57.85 56.95 3ksa n ARG 28 Cb 0.45 -0.72 -0.12 0.00 -1.02 0.00 0.00 32.46 31.05 3ksa n ARG 28 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ksa h ALA 29 N -0.86 0.26 -2.69 7.54 0.00 -1.40 -3.41 119.26 118.70 3ksa h ALA 29 Ca 0.00 -1.17 -0.55 0.00 0.00 0.00 0.00 54.91 53.19 3ksa h ALA 29 Cb 0.33 0.67 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 3ksa h ALA 29 CO 0.00 0.71 0.11 -0.51 0.00 0.00 0.00 179.25 179.56 3ksa s LEU 30 N -7.81 4.43 0.49 0.00 1.43 -1.18 -4.42 118.68 111.62 3ksa s LEU 30 Ca -0.27 1.35 -0.21 0.00 -1.03 0.00 0.00 54.13 53.97 3ksa s LEU 30 Cb 0.05 -3.14 -0.07 0.00 0.03 0.00 0.00 46.19 43.06 3ksa s LEU 30 CO 0.62 0.02 1.13 -2.16 0.23 0.00 0.00 176.35 176.19 3ksa s PRO 31 N -0.01 3.63 0.24 1.29 0.04 -1.26 -4.67 135.00 134.26 3ksa s PRO 31 Ca 0.37 1.64 -0.30 0.00 0.04 0.00 0.00 61.00 62.74 3ksa s PRO 31 Cb -0.20 -2.21 -0.09 0.00 0.04 0.00 0.00 34.50 32.04 3ksa s PRO 31 CO 0.21 -0.63 1.16 0.34 0.04 0.00 0.00 177.00 178.12 3ksa s ASP 32 N -1.62 7.15 0.00 6.66 2.15 -0.61 -0.53 116.67 129.87 3ksa s ASP 32 Ca 0.67 2.28 0.12 0.00 0.43 0.00 0.00 52.55 56.05 3ksa s ASP 32 Cb -0.25 -2.62 0.50 0.00 -0.30 0.00 0.00 42.92 40.26 3ksa s ASP 32 CO 0.29 -0.28 1.38 0.00 -0.17 0.00 0.00 175.17 176.39 3ksa n ILE 33 N 1.80 1.19 -0.07 4.11 3.06 -0.49 -0.08 119.36 128.88 3ksa n ILE 33 Ca 0.02 0.30 -0.22 0.00 -2.50 0.00 0.00 62.75 60.34 3ksa n ILE 33 Cb 0.45 -1.10 -0.12 0.00 0.54 0.00 0.00 39.64 39.40 3ksa n ILE 33 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 3ksa n ARG 34 N -1.50 0.66 -0.01 9.51 1.74 -1.26 -4.47 116.66 121.32 3ksa n ARG 34 Ca 0.03 0.35 0.01 0.00 -0.77 0.00 0.00 57.85 57.47 3ksa n ARG 34 Cb 0.14 -1.67 0.02 0.00 -1.02 0.00 0.00 32.46 29.93 3ksa n ARG 34 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3ksa n ASP 35 N -3.85 1.45 -2.58 0.55 5.75 -1.23 -4.83 116.55 111.81 3ksa n ASP 35 Ca -0.37 -1.31 -0.18 0.00 -0.01 0.00 0.00 54.79 52.92 3ksa n ASP 35 Cb 0.90 -0.01 -0.00 0.00 -1.03 0.00 0.00 41.12 40.98 3ksa n ASP 35 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ksa n GLY 36 N 0.06 -0.50 3.48 6.12 0.00 0.88 -4.28 105.19 110.95 3ksa n GLY 36 Ca 0.02 0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 3ksa n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ksa s LEU 37 N -6.00 2.70 0.38 0.99 1.43 -1.24 -4.57 118.68 112.37 3ksa s LEU 37 Ca 0.07 -0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 52.63 3ksa s LEU 37 Cb -0.04 -1.57 -0.09 0.00 0.03 0.00 0.00 46.19 44.52 3ksa s LEU 37 CO 0.09 0.26 0.83 -0.54 0.23 0.00 0.00 176.35 177.23 3ksa s LYS 38 N -1.41 4.06 0.21 1.70 1.02 -1.26 -1.57 119.74 122.50 3ksa s LYS 38 Ca 0.15 0.84 -0.18 0.00 0.02 0.00 0.00 55.97 56.80 3ksa s LYS 38 Cb -0.11 -2.31 0.21 0.00 -0.52 0.00 0.00 37.83 35.10 3ksa s LYS 38 CO 0.06 0.04 1.48 -2.30 -0.92 0.00 0.00 175.35 173.71 3ksa n PRO 39 N -0.62 -0.24 -0.07 -1.68 -0.02 -1.26 -0.81 135.00 130.30 3ksa n PRO 39 Ca 0.05 1.47 -0.07 0.00 -2.02 0.00 0.00 63.50 62.92 3ksa n PRO 39 Cb 0.54 -2.17 -0.01 0.00 -0.02 0.00 0.00 33.50 31.83 3ksa n PRO 39 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3ksa h VAL 40 N 0.00 0.76 -0.17 -1.45 2.07 -1.87 0.15 116.25 115.74 3ksa h VAL 40 Ca 0.32 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.88 3ksa h VAL 40 Cb 0.56 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 30.99 3ksa h VAL 40 CO -0.94 0.00 -0.41 1.56 0.02 0.00 0.00 177.57 177.80 3ksa h GLN 41 N 0.03 -0.44 -0.36 1.57 4.20 -1.36 -0.11 115.11 118.64 3ksa h GLN 41 Ca 0.13 0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.94 3ksa h GLN 41 Cb 0.19 0.10 -0.06 0.00 0.30 0.00 0.00 27.48 28.01 3ksa h GLN 41 CO -0.25 -0.30 -0.04 -0.09 -0.67 0.00 0.00 178.83 177.48 3ksa h ARG 42 N -0.46 0.05 -0.82 1.46 2.43 -0.33 -0.45 114.38 116.26 3ksa h ARG 42 Ca 0.09 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 3ksa h ARG 42 Cb 0.61 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.11 3ksa h ARG 42 CO -0.41 0.03 0.38 0.00 -1.51 0.00 0.00 179.97 178.45 3ksa h ARG 43 N 0.05 1.18 0.57 0.20 3.08 -0.29 0.86 114.38 120.03 3ksa h ARG 43 Ca 0.17 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3ksa h ARG 43 Cb 0.25 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3ksa h ARG 43 CO -0.33 0.92 -0.39 0.82 -1.07 0.00 0.00 179.97 179.92 3ksa h ILE 44 N 1.17 0.20 -0.09 2.04 2.04 -0.43 -0.88 117.51 121.56 3ksa h ILE 44 Ca 0.28 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.18 3ksa h ILE 44 Cb 0.14 0.20 -0.06 0.00 -0.74 0.00 0.00 36.82 36.36 3ksa h ILE 44 CO -0.03 0.00 -0.32 -0.07 0.00 0.00 0.00 178.15 177.73 3ksa h LEU 45 N -0.93 -0.98 0.14 1.44 3.38 -0.59 0.44 115.31 118.21 3ksa h LEU 45 Ca -0.07 0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3ksa h LEU 45 Cb 0.77 0.41 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 3ksa h LEU 45 CO 0.04 -0.36 -0.16 0.22 0.09 0.00 0.00 178.44 178.27 3ksa h TYR 46 N -0.41 -0.40 0.13 1.13 5.03 -0.87 -1.17 116.97 120.40 3ksa h TYR 46 Ca 0.09 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.41 3ksa h TYR 46 Cb 0.55 0.16 -0.03 0.00 1.55 0.00 0.00 36.73 38.96 3ksa h TYR 46 CO -0.39 -0.24 -0.21 1.03 -1.32 0.00 0.00 178.16 177.04 3ksa h SER 47 N -0.33 -0.58 -0.24 -2.11 0.87 -0.79 0.17 113.55 110.55 3ksa h SER 47 Ca 0.01 0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.69 3ksa h SER 47 Cb 0.32 0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 62.45 3ksa h SER 47 CO -0.05 -0.29 -0.12 0.24 -0.53 0.00 0.00 176.83 176.08 3ksa h MET 48 N -0.40 -0.08 -0.53 2.24 2.86 -0.82 -0.66 114.93 117.53 3ksa h MET 48 Ca 0.02 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 3ksa h MET 48 Cb 0.42 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 3ksa h MET 48 CO -0.11 -0.06 0.30 -0.97 1.06 0.00 0.00 176.91 177.14 3ksa h ASN 49 N -0.09 0.65 -0.71 1.22 -1.24 -0.75 -1.19 115.58 113.47 3ksa h ASN 49 Ca 0.13 -0.08 0.05 0.00 0.71 0.00 0.00 56.30 57.10 3ksa h ASN 49 Cb 0.28 -0.17 -0.05 0.00 0.73 0.00 0.00 38.32 39.11 3ksa h ASN 49 CO -0.29 0.55 0.43 0.11 -1.29 0.00 0.00 177.43 176.93 3ksa h LYS 50 N 0.71 0.78 -0.90 6.67 1.79 -0.27 -0.97 116.57 124.37 3ksa h LYS 50 Ca 0.19 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 3ksa h LYS 50 Cb 0.03 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.50 3ksa h LYS 50 CO -0.03 0.52 0.00 -0.40 -1.08 0.00 0.00 179.45 178.45 3ksa n ASP 51 N -4.71 1.15 -1.70 0.86 3.85 -0.29 -4.88 116.55 110.83 3ksa n ASP 51 Ca 0.09 -1.35 0.00 0.00 -0.71 0.00 0.00 54.79 52.81 3ksa n ASP 51 Cb 0.14 -0.34 0.00 0.00 -1.35 0.00 0.00 41.12 39.57 3ksa n ASP 51 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3ksa n SER 52 N 0.34 0.00 -4.04 -1.12 3.41 -0.37 -4.91 113.62 106.93 3ksa n SER 52 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.21 3ksa n SER 52 Cb 0.23 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.16 3ksa n SER 52 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3ksa n ASN 53 N 0.39 5.51 -4.41 4.04 2.85 -0.49 -4.99 115.26 118.17 3ksa n ASN 53 Ca 0.00 -3.27 -0.27 0.00 -0.11 0.00 0.00 54.58 50.93 3ksa n ASN 53 Cb 0.00 -1.19 -0.12 0.00 1.24 0.00 0.00 39.78 39.71 3ksa n ASN 53 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 3ksa s THR 54 N -2.14 2.28 0.53 -0.44 -4.23 -1.26 -1.38 115.64 109.00 3ksa s THR 54 Ca 0.32 -1.96 0.48 0.00 -1.18 0.00 0.00 61.69 59.35 3ksa s THR 54 Cb 0.00 -2.07 0.70 0.00 1.34 0.00 0.00 72.50 72.48 3ksa s THR 54 CO 0.01 -0.09 1.48 2.22 -0.54 0.00 0.00 174.62 177.70 3ksa n PHE 55 N 0.42 0.00 0.26 3.99 -1.74 -0.03 0.81 117.46 121.17 3ksa n PHE 55 Ca -0.14 0.00 0.12 0.00 -0.56 0.00 0.00 57.45 56.87 3ksa n PHE 55 Cb 0.55 -0.47 0.06 0.00 1.52 0.00 0.00 39.48 41.15 3ksa n PHE 55 CO 0.00 0.00 0.00 0.38 -0.56 0.00 0.00 176.76 176.58 3ksa h ASP 56 N 0.00 0.00 -1.69 5.98 2.03 -1.94 -3.47 116.42 117.33 3ksa h ASP 56 Ca 0.89 -0.07 -0.53 0.00 -0.73 0.00 0.00 57.03 56.59 3ksa h ASP 56 Cb 3.60 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 42.04 3ksa h ASP 56 CO -0.01 0.04 -0.47 -0.54 -1.03 0.00 0.00 179.24 177.23 3ksa s LYS 57 N -3.29 2.42 0.84 4.15 1.02 0.24 -5.09 119.74 120.02 3ksa s LYS 57 Ca 0.02 -1.59 -0.15 0.00 0.02 0.00 0.00 55.97 54.27 3ksa s LYS 57 Cb 0.10 -2.22 -0.03 0.00 -0.52 0.00 0.00 37.83 35.16 3ksa s LYS 57 CO 0.76 -0.04 0.29 0.45 -0.92 0.00 0.00 175.35 175.89 3ksa n SER 58 N -1.32 -2.24 -4.28 2.83 2.88 -1.26 -4.67 113.62 105.57 3ksa n SER 58 Ca -0.00 0.44 -0.29 0.00 -1.33 0.00 0.00 58.87 57.69 3ksa n SER 58 Cb 0.62 -1.14 0.21 0.00 -0.75 0.00 0.00 64.21 63.14 3ksa n SER 58 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3ksa s TYR 59 N -2.11 1.37 -0.14 0.66 1.51 -1.26 -4.73 117.35 112.64 3ksa s TYR 59 Ca 0.59 0.73 -0.07 0.00 -1.01 0.00 0.00 57.07 57.31 3ksa s TYR 59 Cb -0.28 -3.38 0.06 0.00 -0.11 0.00 0.00 41.96 38.24 3ksa s TYR 59 CO 0.65 -3.34 0.33 1.03 -1.11 0.00 0.00 175.55 173.11 3ksa s ARG 60 N -5.21 0.28 -0.27 -0.62 1.81 -0.97 -4.89 118.95 109.08 3ksa s ARG 60 Ca 0.68 0.72 -0.06 0.00 -1.72 0.00 0.00 55.73 55.35 3ksa s ARG 60 Cb -0.14 -0.02 -0.07 0.00 -0.45 0.00 0.00 34.95 34.27 3ksa s ARG 60 CO 0.57 -0.19 0.67 1.17 -0.68 0.00 0.00 175.30 176.83 3ksa n LYS 61 N 4.55 0.00 -0.22 3.54 3.00 -1.26 -1.12 118.16 126.65 3ksa n LYS 61 Ca -0.20 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.15 3ksa n LYS 61 Cb 0.53 -0.35 0.08 0.00 0.00 0.00 0.00 35.03 35.28 3ksa n LYS 61 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 3ksa n SER 62 N 2.34 -0.24 -0.23 3.14 7.64 -0.65 -0.75 113.62 124.87 3ksa n SER 62 Ca 0.18 1.07 0.05 0.00 1.01 0.00 0.00 58.87 61.17 3ksa n SER 62 Cb 0.02 -0.31 0.30 0.00 -1.01 0.00 0.00 64.21 63.21 3ksa n SER 62 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ksa h ALA 63 N 1.20 1.61 -0.08 -0.43 0.00 -1.81 0.14 119.26 119.90 3ksa h ALA 63 Ca 0.29 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.18 3ksa h ALA 63 Cb 0.44 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3ksa h ALA 63 CO -0.64 0.27 0.03 -0.22 0.00 0.00 0.00 179.25 178.70 3ksa h LYS 64 N 0.88 0.07 -0.45 0.00 3.64 -1.29 -0.24 116.57 119.18 3ksa h LYS 64 Ca 0.34 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.80 3ksa h LYS 64 Cb 0.20 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.92 3ksa h LYS 64 CO -0.11 0.04 -0.08 0.77 -2.27 0.00 0.00 179.45 177.80 3ksa h SER 65 N 0.07 -0.35 -0.51 4.20 0.02 -0.90 -2.19 113.55 113.88 3ksa h SER 65 Ca 0.03 0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 3ksa h SER 65 Cb 0.01 0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 3ksa h SER 65 CO -0.03 -0.13 0.25 0.58 -1.14 0.00 0.00 176.83 176.36 3ksa h VAL 66 N 0.03 1.19 -0.57 2.27 2.07 -0.47 -2.19 116.25 118.58 3ksa h VAL 66 Ca 0.22 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.23 3ksa h VAL 66 Cb 0.33 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 3ksa h VAL 66 CO -0.44 0.22 0.33 1.23 0.02 0.00 0.00 177.57 178.93 3ksa h GLY 67 N 0.68 0.81 0.93 2.17 0.00 -0.79 -1.32 103.07 105.55 3ksa h GLY 67 Ca 0.18 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.22 3ksa h GLY 67 CO -0.02 0.19 0.06 3.43 0.00 0.00 0.00 176.54 180.20 3ksa h ASN 68 N 0.64 0.62 -0.08 0.19 4.21 -1.10 0.64 115.58 120.70 3ksa h ASN 68 Ca 0.23 -0.26 0.03 0.00 1.21 0.00 0.00 56.30 57.52 3ksa h ASN 68 Cb 0.06 -0.16 -0.04 0.00 -1.12 0.00 0.00 38.32 37.06 3ksa h ASN 68 CO -0.12 0.72 -0.14 0.40 -1.29 0.00 0.00 177.43 177.00 3ksa h ILE 69 N 0.49 0.64 -0.42 2.81 2.04 -1.10 0.08 117.51 122.04 3ksa h ILE 69 Ca 0.12 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.05 3ksa h ILE 69 Cb 0.37 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 3ksa h ILE 69 CO 0.01 0.00 0.07 0.24 0.00 0.00 0.00 178.15 178.47 3ksa h MET 70 N -0.19 0.19 -0.19 2.37 2.86 -1.11 0.13 114.93 119.00 3ksa h MET 70 Ca 0.08 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 3ksa h MET 70 Cb 0.30 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 3ksa h MET 70 CO -0.20 0.13 -0.05 0.78 1.06 0.00 0.00 176.91 178.63 3ksa h GLY 71 N 0.20 0.41 0.00 8.32 0.00 -0.29 -3.28 103.07 108.42 3ksa h GLY 71 Ca 0.21 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 3ksa h GLY 71 CO -0.28 0.31 -0.30 3.43 0.00 0.00 0.00 176.54 179.70 3ksa h ASN 72 N 0.09 0.00 0.00 0.19 2.35 -1.00 -3.46 115.58 113.75 3ksa h ASN 72 Ca 0.05 -0.22 -0.31 0.00 -0.55 0.00 0.00 56.30 55.27 3ksa h ASN 72 Cb 0.50 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.82 3ksa h ASN 72 CO 0.02 0.77 -2.19 0.49 -1.65 0.00 0.00 177.43 174.87 3ksa n PHE 73 N -4.66 0.00 -3.95 1.19 3.01 -0.18 -4.64 117.46 108.22 3ksa n PHE 73 Ca -0.08 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.08 3ksa n PHE 73 Cb 0.24 -0.81 -0.15 0.00 -0.01 0.00 0.00 39.48 38.75 3ksa n PHE 73 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 3ksa s HIS 74 N -2.42 3.26 -1.37 1.38 2.46 0.28 -4.63 115.29 114.25 3ksa s HIS 74 Ca -0.27 -2.88 -0.13 0.00 0.47 0.00 0.00 55.06 52.25 3ksa s HIS 74 Cb 0.07 -2.70 -0.04 0.00 -0.13 0.00 0.00 32.58 29.79 3ksa s HIS 74 CO 0.50 -0.87 2.43 -2.30 -2.47 0.00 0.00 174.74 172.03 3ksa n PRO 75 N 3.94 2.90 -1.16 2.88 -0.02 -1.26 -4.22 135.00 138.05 3ksa n PRO 75 Ca 0.04 -2.25 0.00 0.00 -2.02 0.00 0.00 63.50 59.27 3ksa n PRO 75 Cb 0.39 -2.99 0.00 0.00 -0.02 0.00 0.00 33.50 30.88 3ksa n PRO 75 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3ksa n HIS 76 N 5.20 -0.51 -1.90 6.00 8.25 -1.26 -5.15 115.22 125.85 3ksa n HIS 76 Ca 0.60 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.69 3ksa n HIS 76 Cb 0.31 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.46 3ksa n HIS 76 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3ksa s GLY 77 N -0.83 2.82 0.06 -1.41 0.00 -1.26 -4.93 107.32 101.76 3ksa s GLY 77 Ca 0.00 1.15 -0.20 0.00 0.00 0.00 0.00 44.72 45.67 3ksa s GLY 77 CO 0.00 1.59 1.47 1.29 0.00 0.00 0.00 173.10 177.45 3ksa h ASP 78 N 1.06 0.34 -0.73 1.64 -0.00 -1.96 -3.08 116.42 113.69 3ksa h ASP 78 Ca -0.51 -0.35 0.09 0.00 -0.00 0.00 0.00 57.03 56.27 3ksa h ASP 78 Cb 1.30 -0.09 -0.07 0.00 -0.00 0.00 0.00 39.33 40.47 3ksa h ASP 78 CO 0.56 0.61 0.38 0.77 -0.00 0.00 0.00 179.24 181.55 3ksa h SER 79 N 0.07 0.51 -0.41 4.15 4.64 -1.98 0.17 113.55 120.70 3ksa h SER 79 Ca 0.05 0.06 0.06 0.00 -0.47 0.00 0.00 61.79 61.49 3ksa h SER 79 Cb 0.45 -0.04 -0.05 0.00 -0.31 0.00 0.00 62.40 62.45 3ksa h SER 79 CO 0.01 0.29 0.09 0.28 -0.87 0.00 0.00 176.83 176.64 3ksa h SER 80 N 0.64 0.03 0.69 4.97 0.02 -1.94 0.52 113.55 118.48 3ksa h SER 80 Ca 0.35 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.34 3ksa h SER 80 Cb 0.35 0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.98 3ksa h SER 80 CO -0.26 0.05 -0.33 0.40 -1.14 0.00 0.00 176.83 175.55 3ksa h ILE 81 N 0.22 0.18 -0.67 3.27 2.04 -1.02 -2.56 117.51 118.98 3ksa h ILE 81 Ca 0.20 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.77 3ksa h ILE 81 Cb 0.24 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 3ksa h ILE 81 CO -0.25 0.02 0.22 0.22 0.00 0.00 0.00 178.15 178.36 3ksa h TYR 82 N -1.13 1.05 -0.49 1.37 3.20 -0.69 0.11 116.97 120.40 3ksa h TYR 82 Ca -0.10 -0.09 0.03 0.00 3.14 0.00 0.00 58.73 61.72 3ksa h TYR 82 Cb 0.75 -0.31 -0.04 0.00 1.54 0.00 0.00 36.73 38.67 3ksa h TYR 82 CO -0.00 0.83 0.27 -0.44 -1.64 0.00 0.00 178.16 177.18 3ksa h ASP 83 N 0.99 0.41 -0.57 -2.11 3.32 -0.97 0.14 116.42 117.63 3ksa h ASP 83 Ca 0.22 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.24 3ksa h ASP 83 Cb 0.27 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 3ksa h ASP 83 CO -0.01 0.29 0.17 0.00 -1.72 0.00 0.00 179.24 177.97 3ksa h ALA 84 N 1.24 0.75 -0.33 3.45 0.00 -0.93 -1.51 119.26 121.93 3ksa h ALA 84 Ca 0.20 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3ksa h ALA 84 Cb 0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3ksa h ALA 84 CO -0.12 0.43 0.19 1.98 0.00 0.00 0.00 179.25 181.73 3ksa h MET 85 N 0.81 0.37 -0.97 0.00 1.85 -0.35 -2.41 114.93 114.24 3ksa h MET 85 Ca 0.18 -0.02 0.05 0.00 -0.61 0.00 0.00 59.70 59.30 3ksa h MET 85 Cb 0.30 -0.08 -0.06 0.00 0.43 0.00 0.00 31.60 32.19 3ksa h MET 85 CO -0.00 0.25 0.63 0.28 -0.40 0.00 0.00 176.91 177.66 3ksa h VAL 86 N 0.39 1.12 -0.83 -5.77 2.07 -0.44 -2.23 116.25 110.56 3ksa h VAL 86 Ca 0.13 -0.40 0.07 0.00 0.82 0.00 0.00 66.70 67.31 3ksa h VAL 86 Cb 0.01 -0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 29.56 3ksa h VAL 86 CO -0.06 0.21 0.50 -0.09 0.02 0.00 0.00 177.57 178.15 3ksa h ARG 87 N 1.17 0.87 0.00 1.57 2.43 -0.78 -0.70 114.38 118.94 3ksa h ARG 87 Ca 0.40 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 3ksa h ARG 87 Cb 0.08 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 3ksa h ARG 87 CO -0.15 0.58 0.00 -1.33 -1.51 0.00 0.00 179.97 177.56 3ksa n MET 88 N -4.67 0.10 -0.39 0.20 2.81 -0.85 -1.47 117.12 112.87 3ksa n MET 88 Ca 0.12 0.53 0.10 0.00 -1.81 0.00 0.00 57.70 56.64 3ksa n MET 88 Cb 0.20 -1.79 0.30 0.00 -0.71 0.00 0.00 33.22 31.21 3ksa n MET 88 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3ksa n SER 89 N -2.01 3.75 -4.21 7.83 3.41 -0.27 -2.33 113.62 119.80 3ksa n SER 89 Ca 0.00 -2.10 -0.41 0.00 -0.26 0.00 0.00 58.87 56.10 3ksa n SER 89 Cb 0.07 -0.47 -0.07 0.00 -0.26 0.00 0.00 64.21 63.48 3ksa n SER 89 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3ksa s GLN 90 N -1.28 2.77 0.39 4.33 -0.21 -0.54 -4.76 119.66 120.36 3ksa s GLN 90 Ca 0.45 -2.15 0.13 0.00 0.02 0.00 0.00 55.36 53.81 3ksa s GLN 90 Cb 0.25 -3.99 0.95 0.00 1.00 0.00 0.00 33.01 31.22 3ksa s GLN 90 CO 0.28 -1.21 1.88 -2.95 -2.12 0.00 0.00 175.29 171.17 3ksa h ASN 91 N 7.89 0.51 0.86 5.90 -1.07 -1.88 0.84 115.58 128.63 3ksa h ASN 91 Ca -0.08 0.04 0.00 0.00 0.07 0.00 0.00 56.30 56.32 3ksa h ASN 91 Cb 1.03 -0.06 0.00 0.00 -2.07 0.00 0.00 38.32 37.22 3ksa h ASN 91 CO 0.80 0.25 0.00 4.11 0.07 0.00 0.00 177.43 182.65 3ksa h TRP 92 N 0.54 0.00 0.00 4.14 0.09 -1.93 -3.34 115.95 115.44 3ksa h TRP 92 Ca 0.43 0.00 -0.09 0.00 0.09 0.00 0.00 58.89 59.32 3ksa h TRP 92 Cb 0.87 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 30.09 3ksa h TRP 92 CO -0.00 0.00 -0.83 1.63 0.09 0.00 0.00 178.44 179.33 3ksa n LYS 93 N -2.95 0.49 -3.53 0.12 5.02 -0.23 -4.54 118.16 112.55 3ksa n LYS 93 Ca 0.00 0.52 -0.36 0.00 -2.02 0.00 0.00 58.31 56.46 3ksa n LYS 93 Cb 0.27 -1.70 -0.06 0.00 -0.02 0.00 0.00 35.03 33.52 3ksa n LYS 93 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3ksa s ASN 94 N -6.15 6.71 -0.02 4.39 -0.87 0.12 -4.86 114.94 114.26 3ksa s ASN 94 Ca -0.21 0.87 -0.22 0.00 -1.57 0.00 0.00 52.86 51.74 3ksa s ASN 94 Cb 0.04 -2.21 -0.14 0.00 -0.02 0.00 0.00 41.25 38.92 3ksa s ASN 94 CO 0.35 0.21 0.96 0.08 -2.57 0.00 0.00 177.10 176.13 3ksa h ARG 95 N 3.97 -0.48 -4.45 -0.60 -0.00 -1.81 -3.40 114.38 107.61 3ksa h ARG 95 Ca -0.50 0.03 -0.70 0.00 -0.00 0.00 0.00 59.98 58.81 3ksa h ARG 95 Cb 1.20 0.11 -0.33 0.00 -0.00 0.00 0.00 29.97 30.95 3ksa h ARG 95 CO 0.65 -0.17 -0.51 -2.00 -0.00 0.00 0.00 179.97 177.93 3ksa s GLU 96 N -4.01 2.20 0.27 0.08 2.56 -1.26 -4.99 118.70 113.55 3ksa s GLU 96 Ca -0.12 -1.74 -0.30 0.00 0.00 0.00 0.00 54.97 52.80 3ksa s GLU 96 Cb 0.01 -3.67 -0.13 0.00 2.00 0.00 0.00 34.13 32.35 3ksa s GLU 96 CO 0.42 -1.07 1.47 -0.89 -0.56 0.00 0.00 175.26 174.63 3ksa n ILE 97 N 4.70 1.11 0.14 -3.70 5.41 -1.26 -4.92 119.36 120.85 3ksa n ILE 97 Ca -0.05 -0.28 0.09 0.00 1.00 0.00 0.00 62.75 63.51 3ksa n ILE 97 Cb 0.41 -1.67 0.17 0.00 -0.71 0.00 0.00 39.64 37.84 3ksa n ILE 97 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3ksa n LEU 98 N 1.97 3.04 -3.73 1.39 4.77 -1.01 -4.74 117.00 118.69 3ksa n LEU 98 Ca 0.09 -1.59 -0.12 0.00 -0.03 0.00 0.00 56.01 54.37 3ksa n LEU 98 Cb 0.34 -0.21 -0.12 0.00 -2.33 0.00 0.00 43.42 41.10 3ksa n LEU 98 CO 0.63 0.69 -0.03 -0.69 -1.33 0.00 0.00 177.39 176.65 3ksa s VAL 99 N -1.19 -0.02 -0.20 4.08 1.01 -0.98 -2.74 120.40 120.35 3ksa s VAL 99 Ca 0.30 0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.30 3ksa s VAL 99 Cb 0.17 -0.47 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 3ksa s VAL 99 CO 0.24 0.03 0.03 -1.83 0.00 0.00 0.00 175.10 173.57 3ksa s GLU 100 N 0.93 3.76 -0.07 2.72 -1.05 -0.20 -3.87 118.70 120.91 3ksa s GLU 100 Ca -0.06 -0.45 0.04 0.00 -0.15 0.00 0.00 54.97 54.36 3ksa s GLU 100 Cb -0.07 -3.16 -0.01 0.00 -0.44 0.00 0.00 34.13 30.44 3ksa s GLU 100 CO -0.07 0.09 -0.21 1.41 0.95 0.00 0.00 175.26 177.44 3ksa s MET 101 N 0.83 2.69 -0.21 -4.83 1.75 -1.26 -1.47 119.30 116.80 3ksa s MET 101 Ca 0.02 -0.82 -0.05 0.00 -1.25 0.00 0.00 55.69 53.59 3ksa s MET 101 Cb -0.14 -2.29 -0.02 0.00 2.84 0.00 0.00 34.83 35.22 3ksa s MET 101 CO 0.02 0.40 0.00 -1.58 -0.65 0.00 0.00 175.02 173.22 3ksa s HIS 102 N -0.19 3.04 -0.22 4.11 2.46 -0.30 -4.93 115.29 119.26 3ksa s HIS 102 Ca -0.02 -0.50 0.00 0.00 0.47 0.00 0.00 55.06 55.01 3ksa s HIS 102 Cb -0.14 -2.10 0.00 0.00 -0.13 0.00 0.00 32.58 30.21 3ksa s HIS 102 CO 0.03 -0.28 0.00 0.41 -2.47 0.00 0.00 174.74 172.43 3ksa n GLY 103 N 4.37 0.50 3.52 1.59 0.00 -1.26 -3.01 105.19 110.90 3ksa n GLY 103 Ca -0.17 -2.22 -0.43 0.00 0.00 0.00 0.00 46.02 43.20 3ksa n GLY 103 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ksa s ASN 104 N -4.00 6.31 -0.42 1.61 2.47 -1.26 -4.92 114.94 114.73 3ksa s ASN 104 Ca 0.00 -0.36 0.04 0.00 0.42 0.00 0.00 52.86 52.97 3ksa s ASN 104 Cb 0.00 -2.31 0.44 0.00 -1.45 0.00 0.00 41.25 37.93 3ksa s ASN 104 CO 0.00 -0.75 1.38 -0.46 -3.72 0.00 0.00 177.10 173.55 3ksa n ASN 105 N 6.18 5.54 -0.01 -4.21 6.94 -1.26 -0.01 115.26 128.44 3ksa n ASN 105 Ca -0.02 -3.76 0.00 0.00 -0.02 0.00 0.00 54.58 50.78 3ksa n ASN 105 Cb 0.48 -0.52 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 3ksa n ASN 105 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ksa n GLY 106 N -0.69 -1.52 0.00 4.83 0.00 -1.26 -4.67 105.19 101.88 3ksa n GLY 106 Ca 0.47 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 45.18 3ksa n GLY 106 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ksa n SER 107 N 0.05 0.00 0.02 1.61 3.41 -1.22 -4.93 113.62 112.56 3ksa n SER 107 Ca 0.00 -0.63 -0.12 0.00 -0.26 0.00 0.00 58.87 57.87 3ksa n SER 107 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 3ksa n SER 107 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 3ksa h MET 108 N 0.00 0.54 0.00 4.33 2.86 -1.97 -2.68 114.93 118.02 3ksa h MET 108 Ca 0.00 -0.42 0.00 0.00 -2.06 0.00 0.00 59.70 57.22 3ksa h MET 108 Cb 0.00 0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.74 3ksa h MET 108 CO 0.00 1.04 0.00 -0.25 1.06 0.00 0.00 176.91 178.76 3ksa n ASP 109 N -3.89 0.15 0.00 1.22 9.92 -1.26 -2.94 116.55 119.75 3ksa n ASP 109 Ca -0.05 0.57 0.00 0.00 -0.53 0.00 0.00 54.79 54.78 3ksa n ASP 109 Cb 0.70 -0.59 0.00 0.00 -0.64 0.00 0.00 41.12 40.59 3ksa n ASP 109 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3ksa n GLY 110 N -1.45 1.16 3.48 0.44 0.00 -1.01 -4.25 105.19 103.56 3ksa n GLY 110 Ca -0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 3ksa n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ksa n ASP 111 N 0.00 -0.18 -4.76 1.61 3.85 -1.26 -4.76 116.55 111.05 3ksa n ASP 111 Ca 0.00 1.12 -0.40 0.00 -0.71 0.00 0.00 54.79 54.80 3ksa n ASP 111 Cb 0.00 -1.11 -0.04 0.00 -1.35 0.00 0.00 41.12 38.62 3ksa n ASP 111 CO 0.00 0.00 0.00 -2.84 -1.01 0.00 0.00 177.20 173.35 3ksa s PRO 112 N -1.30 4.57 0.55 0.11 0.02 -1.26 -3.40 135.00 134.29 3ksa s PRO 112 Ca 0.61 1.73 -0.21 0.00 0.02 0.00 0.00 61.00 63.15 3ksa s PRO 112 Cb -0.79 -3.08 -0.05 0.00 0.02 0.00 0.00 34.50 30.60 3ksa s PRO 112 CO 0.58 0.17 1.27 -2.30 -0.33 0.00 0.00 177.00 176.39 3ksa n PRO 113 N 0.99 1.52 -2.06 5.54 -0.02 -1.26 -4.35 135.00 135.36 3ksa n PRO 113 Ca -0.00 0.56 -0.39 0.00 -2.02 0.00 0.00 63.50 61.65 3ksa n PRO 113 Cb 0.46 -2.47 -0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3ksa n PRO 113 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ksa s ALA 114 N -1.32 3.16 0.52 3.55 0.00 0.99 -4.84 121.76 123.83 3ksa s ALA 114 Ca 0.72 1.19 -0.19 0.00 0.00 0.00 0.00 51.96 53.68 3ksa s ALA 114 Cb -0.43 -3.48 -0.10 0.00 0.00 0.00 0.00 23.12 19.12 3ksa s ALA 114 CO 0.49 -0.86 0.52 0.00 0.00 0.00 0.00 175.76 175.91 3ksa n ALA 115 N -0.11 -1.26 0.04 0.00 0.00 -1.26 -4.76 120.51 113.16 3ksa n ALA 115 Ca 0.05 0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.56 3ksa n ALA 115 Cb 0.44 -1.80 0.42 0.00 0.00 0.00 0.00 19.45 18.51 3ksa n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ksa h MET 116 N 0.42 0.46 0.00 0.00 -0.00 -1.95 -0.48 114.93 113.38 3ksa h MET 116 Ca -0.44 -0.04 0.00 0.00 -0.00 0.00 0.00 59.70 59.22 3ksa h MET 116 Cb 1.40 -0.10 0.00 0.00 -0.00 0.00 0.00 31.60 32.90 3ksa h MET 116 CO 0.48 0.35 0.00 0.07 -0.00 0.00 0.00 176.91 177.81 3ksa h ARG 117 N 0.46 0.00 0.12 -0.10 -0.00 -1.98 -2.51 114.38 110.37 3ksa h ARG 117 Ca 0.12 0.00 -0.33 0.00 -0.00 0.00 0.00 59.98 59.77 3ksa h ARG 117 Cb 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.00 3ksa h ARG 117 CO -0.02 0.00 -1.70 1.88 -0.00 0.00 0.00 179.97 180.13 3ksa h TYR 118 N 0.00 0.45 -2.41 4.08 0.05 -1.40 -3.48 116.97 114.26 3ksa h TYR 118 Ca 0.00 -0.33 -0.44 0.00 0.05 0.00 0.00 58.73 58.01 3ksa h TYR 118 Cb 0.14 -0.02 0.05 0.00 1.01 0.00 0.00 36.73 37.90 3ksa h TYR 118 CO 0.00 1.48 -0.04 0.95 -1.05 0.00 0.00 178.16 179.50 3ksa s THR 119 N -2.59 2.65 0.02 -2.88 -4.23 -0.95 -4.99 115.64 102.67 3ksa s THR 119 Ca -0.13 -0.68 0.03 0.00 -1.18 0.00 0.00 61.69 59.73 3ksa s THR 119 Cb 0.07 -2.96 -0.02 0.00 1.34 0.00 0.00 72.50 70.93 3ksa s THR 119 CO 0.83 0.00 -0.09 -1.61 -0.54 0.00 0.00 174.62 173.21 3ksa s GLU 120 N -4.76 0.61 0.02 3.99 2.02 -1.16 -1.64 118.70 117.78 3ksa s GLU 120 Ca 0.58 -0.54 -0.09 0.00 0.02 0.00 0.00 54.97 54.93 3ksa s GLU 120 Cb -0.10 -0.52 0.00 0.00 0.10 0.00 0.00 34.13 33.61 3ksa s GLU 120 CO 0.38 0.13 0.18 0.00 0.02 0.00 0.00 175.26 175.97 3ksa s ALA 121 N -0.77 -0.36 0.23 5.21 0.00 -0.27 -1.15 121.76 124.65 3ksa s ALA 121 Ca -0.02 -0.21 -0.00 0.00 0.00 0.00 0.00 51.96 51.72 3ksa s ALA 121 Cb -0.06 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 3ksa s ALA 121 CO 0.00 -0.31 0.18 -0.98 0.00 0.00 0.00 175.76 174.66 3ksa s ARG 122 N -2.14 1.33 0.38 0.00 1.70 -0.55 -2.30 118.95 117.38 3ksa s ARG 122 Ca -0.08 -1.68 -0.17 0.00 -0.47 0.00 0.00 55.73 53.32 3ksa s ARG 122 Cb -0.03 0.29 -0.10 0.00 -0.57 0.00 0.00 34.95 34.54 3ksa s ARG 122 CO -0.02 -0.46 0.84 -0.51 -1.08 0.00 0.00 175.30 174.07 3ksa s LEU 123 N -3.19 3.99 0.00 -1.89 1.43 -0.48 -1.04 118.68 117.49 3ksa s LEU 123 Ca 0.38 1.46 -0.07 0.00 -1.03 0.00 0.00 54.13 54.88 3ksa s LEU 123 Cb 0.06 -4.29 0.10 0.00 0.03 0.00 0.00 46.19 42.08 3ksa s LEU 123 CO 0.15 -0.29 0.59 -1.54 0.23 0.00 0.00 176.35 175.49 3ksa n SER 124 N -0.56 0.10 -0.03 2.29 3.41 -1.11 -0.85 113.62 116.88 3ksa n SER 124 Ca 0.05 -1.25 -0.10 0.00 -0.26 0.00 0.00 58.87 57.31 3ksa n SER 124 Cb 0.54 -0.45 -0.09 0.00 -0.26 0.00 0.00 64.21 63.95 3ksa n SER 124 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3ksa h GLU 125 N 0.00 -0.06 -0.11 4.33 4.81 -1.92 -3.22 114.58 118.41 3ksa h GLU 125 Ca -0.19 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.07 3ksa h GLU 125 Cb 0.54 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 3ksa h GLU 125 CO 0.14 0.53 0.13 0.97 -0.73 0.00 0.00 179.01 180.05 3ksa h ILE 126 N -0.93 0.48 -0.68 2.32 2.10 -1.95 -1.24 117.51 117.60 3ksa h ILE 126 Ca -0.01 0.00 0.01 0.00 1.08 0.00 0.00 64.86 65.94 3ksa h ILE 126 Cb 0.62 0.90 -0.03 0.00 -1.09 0.00 0.00 36.82 37.21 3ksa h ILE 126 CO 0.01 0.00 0.45 0.00 -1.08 0.00 0.00 178.15 177.53 3ksa h ALA 127 N 1.85 1.51 -0.99 0.18 0.00 -1.84 -1.49 119.26 118.48 3ksa h ALA 127 Ca 0.05 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.99 3ksa h ALA 127 Cb 0.30 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 3ksa h ALA 127 CO -0.00 0.45 0.64 0.78 0.00 0.00 0.00 179.25 181.12 3ksa h GLY 128 N 0.93 1.52 1.13 0.00 0.00 -1.31 0.09 103.07 105.43 3ksa h GLY 128 Ca 0.25 -0.45 0.02 0.00 0.00 0.00 0.00 47.33 47.14 3ksa h GLY 128 CO -0.05 0.29 0.56 -0.97 0.00 0.00 0.00 176.54 176.36 3ksa h TYR 129 N 1.11 1.05 -0.95 5.60 0.99 -1.38 0.47 116.97 123.86 3ksa h TYR 129 Ca 0.44 0.03 0.09 0.00 2.00 0.00 0.00 58.73 61.29 3ksa h TYR 129 Cb 0.26 -0.36 -0.07 0.00 1.00 0.00 0.00 36.73 37.56 3ksa h TYR 129 CO -0.00 0.65 0.59 -0.07 -0.00 0.00 0.00 178.16 179.33 3ksa h LEU 130 N 1.12 0.90 0.00 3.88 3.38 -0.85 -2.19 115.31 121.55 3ksa h LEU 130 Ca 0.32 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3ksa h LEU 130 Cb -0.09 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.51 3ksa h LEU 130 CO -0.08 0.53 -0.34 0.18 0.09 0.00 0.00 178.44 178.83 3ksa n LEU 131 N -4.61 0.75 -4.65 1.67 4.77 -0.19 -1.16 117.00 113.59 3ksa n LEU 131 Ca 0.16 0.39 -0.51 0.00 -0.03 0.00 0.00 56.01 56.01 3ksa n LEU 131 Cb 0.26 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.05 3ksa n LEU 131 CO 0.29 -0.11 1.14 0.00 -1.33 0.00 0.00 177.39 177.38 3ksa n GLN 132 N -2.18 1.52 -0.14 3.23 1.13 0.15 -1.01 117.38 120.08 3ksa n GLN 132 Ca 0.04 0.55 0.00 0.00 -1.94 0.00 0.00 57.00 55.65 3ksa n GLN 132 Cb 0.43 -2.26 0.00 0.00 0.11 0.00 0.00 30.24 28.53 3ksa n GLN 132 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3ksa n ASP 133 N 3.88 0.00 -0.32 1.08 8.00 -1.26 -4.71 116.55 123.22 3ksa n ASP 133 Ca 0.20 0.00 0.18 0.00 0.71 0.00 0.00 54.79 55.89 3ksa n ASP 133 Cb 0.21 0.00 0.39 0.00 -0.02 0.00 0.00 41.12 41.70 3ksa n ASP 133 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3ksa h ILE 134 N 0.00 0.37 0.00 0.53 6.09 -1.44 -0.05 117.51 123.01 3ksa h ILE 134 Ca 0.00 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 63.37 3ksa h ILE 134 Cb 0.00 -0.01 0.00 0.00 0.47 0.00 0.00 36.82 37.28 3ksa h ILE 134 CO 0.00 0.06 0.00 -1.84 -3.07 0.00 0.00 178.15 173.30 3ksa n GLU 135 N -5.07 0.66 -2.46 2.19 0.00 -1.26 -3.58 120.64 111.12 3ksa n GLU 135 Ca 0.27 0.01 -0.31 0.00 0.00 0.00 0.00 57.16 57.12 3ksa n GLU 135 Cb 0.82 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.76 3ksa n GLU 135 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3ksa n LYS 136 N -1.15 3.44 -4.13 3.44 5.02 -0.03 -4.94 118.16 119.81 3ksa n LYS 136 Ca 0.18 -4.37 -0.41 0.00 -2.02 0.00 0.00 58.31 51.69 3ksa n LYS 136 Cb 0.17 -2.28 -0.02 0.00 -0.02 0.00 0.00 35.03 32.89 3ksa n LYS 136 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3ksa n LYS 137 N -0.40 -0.44 0.00 1.97 5.02 -1.23 -4.46 118.16 118.61 3ksa n LYS 137 Ca 0.42 0.04 0.10 0.00 -2.02 0.00 0.00 58.31 56.85 3ksa n LYS 137 Cb 0.46 -2.63 -0.04 0.00 -0.02 0.00 0.00 35.03 32.80 3ksa n LYS 137 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3ksa n THR 138 N -4.79 0.00 -3.68 -0.18 -2.24 -1.26 -4.55 114.28 97.59 3ksa n THR 138 Ca -0.17 -0.20 -0.14 0.00 -2.27 0.00 0.00 64.05 61.27 3ksa n THR 138 Cb 0.58 1.16 -0.08 0.00 -2.10 0.00 0.00 70.33 69.88 3ksa n THR 138 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ksa s VAL 139 N -2.49 0.02 0.13 2.28 0.11 -1.26 -4.55 120.40 114.64 3ksa s VAL 139 Ca 0.14 -0.15 -0.31 0.00 -2.93 0.00 0.00 61.98 58.72 3ksa s VAL 139 Cb 0.16 -0.74 -0.10 0.00 -1.53 0.00 0.00 36.38 34.17 3ksa s VAL 139 CO 0.62 -0.08 1.66 -2.16 -3.33 0.00 0.00 175.10 171.80 3ksa s PRO 140 N -0.58 4.19 0.23 1.54 0.04 -1.26 -4.94 135.00 134.21 3ksa s PRO 140 Ca -0.07 2.42 0.06 0.00 0.04 0.00 0.00 61.00 63.45 3ksa s PRO 140 Cb -0.03 -3.38 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 3ksa s PRO 140 CO 0.04 -0.71 0.20 -0.06 0.04 0.00 0.00 177.00 176.51 3ksa s PHE 141 N 1.95 3.16 0.31 0.56 0.40 -1.26 -1.32 117.98 121.78 3ksa s PHE 141 Ca 0.74 -0.07 0.03 0.00 -0.60 0.00 0.00 56.93 57.02 3ksa s PHE 141 Cb -0.43 -1.45 -0.05 0.00 0.51 0.00 0.00 43.02 41.59 3ksa s PHE 141 CO 0.32 0.51 0.09 0.00 0.70 0.00 0.00 175.22 176.85 3ksa s ALA 142 N -2.01 2.18 0.46 5.36 0.00 0.03 -4.89 121.76 122.89 3ksa s ALA 142 Ca 0.32 -1.87 -0.14 0.00 0.00 0.00 0.00 51.96 50.27 3ksa s ALA 142 Cb -0.09 0.84 -0.08 0.00 0.00 0.00 0.00 23.12 23.80 3ksa s ALA 142 CO 0.25 -0.38 0.89 -1.58 0.00 0.00 0.00 175.76 174.94 3ksa s TRP 143 N -3.47 3.45 0.98 0.00 0.52 -1.26 -0.83 118.94 118.33 3ksa s TRP 143 Ca 0.35 1.31 -0.15 0.00 0.02 0.00 0.00 56.10 57.63 3ksa s TRP 143 Cb 0.07 -2.66 0.18 0.00 -1.15 0.00 0.00 33.47 29.92 3ksa s TRP 143 CO 0.15 -0.24 1.20 0.54 0.02 0.00 0.00 176.95 178.62 3ksa s ASN 144 N -3.02 2.97 0.61 2.95 6.03 -0.08 -4.76 114.94 119.63 3ksa s ASN 144 Ca 0.56 0.63 0.29 0.00 -1.03 0.00 0.00 52.86 53.31 3ksa s ASN 144 Cb -0.10 -0.94 1.55 0.00 -3.03 0.00 0.00 41.25 38.73 3ksa s ASN 144 CO 0.30 -2.86 1.93 2.19 -2.03 0.00 0.00 177.10 176.64 3ksa h PHE 145 N -1.72 0.00 0.00 1.54 -5.15 -1.82 -2.02 116.94 107.77 3ksa h PHE 145 Ca -0.47 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.30 3ksa h PHE 145 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.46 3ksa h PHE 145 CO -0.71 0.00 -1.37 -0.25 -2.00 0.00 0.00 178.31 173.99 3ksa n ASP 146 N -3.50 0.59 -0.25 -0.68 9.92 -1.26 -4.95 116.55 116.41 3ksa n ASP 146 Ca 0.04 -0.54 -0.03 0.00 -0.53 0.00 0.00 54.79 53.73 3ksa n ASP 146 Cb 0.53 1.34 -0.01 0.00 -0.64 0.00 0.00 41.12 42.34 3ksa n ASP 146 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3ksa n ASP 147 N -1.83 -3.62 -0.00 -2.24 9.92 -0.76 -4.93 116.55 113.09 3ksa n ASP 147 Ca 0.01 0.08 -0.07 0.00 -0.53 0.00 0.00 54.79 54.28 3ksa n ASP 147 Cb 0.43 -1.41 -0.13 0.00 -0.64 0.00 0.00 41.12 39.37 3ksa n ASP 147 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 3ksa h THR 148 N 0.00 0.93 -3.20 -3.53 1.35 -1.93 -3.48 112.91 103.06 3ksa h THR 148 Ca -0.07 -2.72 -0.06 0.00 -0.55 0.00 0.00 66.41 63.01 3ksa h THR 148 Cb 0.29 2.44 -0.15 0.00 -1.73 0.00 0.00 68.15 69.00 3ksa h THR 148 CO 0.10 0.53 -0.07 -0.70 -0.25 0.00 0.00 175.52 175.13 3ksa s GLU 149 N -2.65 1.02 -0.01 4.72 2.12 -1.26 -5.04 118.70 117.59 3ksa s GLU 149 Ca -0.04 -0.53 -0.01 0.00 0.36 0.00 0.00 54.97 54.75 3ksa s GLU 149 Cb 0.08 0.45 -0.04 0.00 0.26 0.00 0.00 34.13 34.89 3ksa s GLU 149 CO 0.82 -0.38 0.11 0.15 -0.54 0.00 0.00 175.26 175.42 3ksa s LYS 150 N -3.19 3.19 -0.02 4.30 1.02 -1.26 -0.90 119.74 122.87 3ksa s LYS 150 Ca -0.01 -0.42 0.03 0.00 0.02 0.00 0.00 55.97 55.59 3ksa s LYS 150 Cb 0.01 -2.94 -0.00 0.00 -0.52 0.00 0.00 37.83 34.37 3ksa s LYS 150 CO -0.08 0.66 -0.09 -2.00 -0.92 0.00 0.00 175.35 172.93 3ksa s GLU 151 N -1.73 0.86 0.42 1.68 2.12 -0.01 -4.92 118.70 117.13 3ksa s GLU 151 Ca 0.23 -0.32 -0.25 0.00 0.36 0.00 0.00 54.97 54.99 3ksa s GLU 151 Cb -0.12 -0.82 -0.08 0.00 0.26 0.00 0.00 34.13 33.37 3ksa s GLU 151 CO 0.14 0.16 1.26 -2.14 -0.54 0.00 0.00 175.26 174.14 3ksa s PRO 152 N -0.01 3.89 0.04 4.30 0.02 -1.26 -0.79 135.00 141.17 3ksa s PRO 152 Ca 0.00 2.03 0.23 0.00 0.02 0.00 0.00 61.00 63.28 3ksa s PRO 152 Cb -0.06 -2.64 0.07 0.00 0.02 0.00 0.00 34.50 31.88 3ksa s PRO 152 CO 0.00 -0.52 1.05 0.25 -0.33 0.00 0.00 177.00 177.45 3ksa n THR 153 N -0.07 0.12 -3.58 0.99 -2.24 -0.43 -4.84 114.28 104.23 3ksa n THR 153 Ca 0.05 -0.19 -0.09 0.00 -2.27 0.00 0.00 64.05 61.55 3ksa n THR 153 Cb 0.45 0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 68.97 3ksa n THR 153 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ksa s VAL 154 N -3.15 0.00 0.37 2.28 0.11 -1.26 -5.09 120.40 113.66 3ksa s VAL 154 Ca 0.05 -0.32 0.04 0.00 -2.93 0.00 0.00 61.98 58.82 3ksa s VAL 154 Cb 0.15 -1.36 -0.01 0.00 -1.53 0.00 0.00 36.38 33.63 3ksa s VAL 154 CO 0.80 0.00 0.54 -0.76 -3.33 0.00 0.00 175.10 172.35 3ksa s LEU 155 N -2.76 3.88 0.09 2.54 1.43 -1.26 -4.84 118.68 117.74 3ksa s LEU 155 Ca 0.05 0.02 -0.33 0.00 -1.03 0.00 0.00 54.13 52.84 3ksa s LEU 155 Cb -0.02 -2.92 -0.16 0.00 0.03 0.00 0.00 46.19 43.11 3ksa s LEU 155 CO -0.06 -0.51 1.60 -0.65 0.23 0.00 0.00 176.35 176.96 3ksa h PRO 156 N 0.72 -0.87 -2.67 1.29 0.11 -1.83 -3.45 132.00 125.31 3ksa h PRO 156 Ca -0.46 0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3ksa h PRO 156 Cb 1.25 0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.56 3ksa h PRO 156 CO 0.55 -0.58 0.00 0.00 -0.21 0.00 0.00 178.00 177.76 3ksa n ALA 157 N -2.68 -1.96 0.26 -0.75 0.00 -0.31 -4.83 120.51 110.23 3ksa n ALA 157 Ca -0.12 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.41 3ksa n ALA 157 Cb 0.41 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.52 3ksa n ALA 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ksa h ALA 158 N 0.00 1.85 -2.30 0.00 0.00 -1.61 -3.43 119.26 113.77 3ksa h ALA 158 Ca 0.00 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.54 3ksa h ALA 158 Cb 0.47 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.10 3ksa h ALA 158 CO 0.00 0.04 -0.72 -0.59 0.00 0.00 0.00 179.25 177.99 3ksa s PHE 159 N -4.90 1.27 -1.12 0.00 -0.71 -1.26 -4.82 117.98 106.44 3ksa s PHE 159 Ca -0.05 -0.74 -0.12 0.00 -1.04 0.00 0.00 56.93 54.98 3ksa s PHE 159 Cb 0.16 -0.65 -0.07 0.00 -1.21 0.00 0.00 43.02 41.26 3ksa s PHE 159 CO 0.65 0.09 2.25 -2.30 -1.34 0.00 0.00 175.22 174.57 3ksa n PRO 160 N -0.11 2.39 -0.37 1.99 -0.02 -1.26 -4.79 135.00 132.82 3ksa n PRO 160 Ca -0.11 -1.91 0.33 0.00 -2.02 0.00 0.00 63.50 59.80 3ksa n PRO 160 Cb 0.60 -2.79 0.68 0.00 -0.02 0.00 0.00 33.50 31.97 3ksa n PRO 160 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 3ksa h ASN 161 N 6.41 0.16 0.36 2.55 -1.24 -1.88 -2.78 115.58 119.16 3ksa h ASN 161 Ca 0.57 0.04 -0.00 0.00 0.71 0.00 0.00 56.30 57.61 3ksa h ASN 161 Cb 0.40 0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.45 3ksa h ASN 161 CO 1.73 0.00 -0.38 0.25 -1.29 0.00 0.00 177.43 177.74 3ksa h LEU 162 N 0.12 -1.05 -0.59 0.34 6.46 -1.81 -1.33 115.31 117.46 3ksa h LEU 162 Ca 0.63 0.09 -0.12 0.00 -0.12 0.00 0.00 57.88 58.36 3ksa h LEU 162 Cb 2.21 0.36 -0.01 0.00 -0.73 0.00 0.00 40.66 42.48 3ksa h LEU 162 CO -0.14 -0.53 -0.20 -0.07 -0.62 0.00 0.00 178.44 176.88 3ksa h LEU 163 N -0.78 0.92 0.73 2.25 3.38 -1.83 -2.05 115.31 117.94 3ksa h LEU 163 Ca -0.03 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 3ksa h LEU 163 Cb 0.70 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3ksa h LEU 163 CO -0.08 1.10 -0.44 0.58 0.09 0.00 0.00 178.44 179.69 3ksa h VAL 164 N 0.79 0.00 -0.52 1.22 2.07 -1.33 0.91 116.25 119.38 3ksa h VAL 164 Ca 0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.63 3ksa h VAL 164 Cb 0.75 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3ksa h VAL 164 CO 0.06 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.24 3ksa n ASN 165 N -5.25 2.82 0.00 0.57 3.02 -0.53 -0.43 115.26 115.47 3ksa n ASN 165 Ca -0.13 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.42 3ksa n ASN 165 Cb 0.46 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 3ksa n ASN 165 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ksa n GLY 166 N 1.34 0.71 0.00 7.41 0.00 -0.77 -4.65 105.19 109.24 3ksa n GLY 166 Ca 0.18 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.39 3ksa n GLY 166 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ksa n SER 167 N -3.64 0.00 -3.73 1.61 2.88 -0.25 -4.87 113.62 105.62 3ksa n SER 167 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 3ksa n SER 167 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 3ksa n SER 167 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3ksa s THR 168 N -1.93 0.03 0.00 2.46 -4.23 -1.26 -0.61 115.64 110.10 3ksa s THR 168 Ca 0.00 -0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.27 3ksa s THR 168 Cb 0.00 -0.62 0.00 0.00 1.34 0.00 0.00 72.50 73.22 3ksa s THR 168 CO 0.00 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.56 3ksa n GLY 169 N 1.89 0.00 2.65 3.99 0.00 -1.25 -5.02 105.19 107.46 3ksa n GLY 169 Ca -0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 3ksa n GLY 169 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ksa s ILE 170 N 0.00 -0.03 0.25 -0.61 1.01 -1.26 -0.37 121.20 120.19 3ksa s ILE 170 Ca 0.00 0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.72 3ksa s ILE 170 Cb 0.00 -0.45 -0.01 0.00 0.01 0.00 0.00 42.46 42.01 3ksa s ILE 170 CO 0.00 -0.08 0.10 -1.54 0.00 0.00 0.00 174.94 173.42 3ksa n SER 171 N 5.26 0.99 -4.66 3.58 3.41 0.81 -4.78 113.62 118.23 3ksa n SER 171 Ca -0.06 -2.37 -0.43 0.00 -0.26 0.00 0.00 58.87 55.75 3ksa n SER 171 Cb 0.49 0.69 -0.02 0.00 -0.26 0.00 0.00 64.21 65.11 3ksa n SER 171 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ksa s ALA 172 N -2.71 3.65 0.00 7.33 0.00 -1.26 -3.76 121.76 125.00 3ksa s ALA 172 Ca 0.14 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.69 3ksa s ALA 172 Cb 0.01 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.47 3ksa s ALA 172 CO 0.10 -1.23 0.00 0.41 0.00 0.00 0.00 175.76 175.04 3ksa n GLY 173 N 3.75 2.66 3.14 0.00 0.00 -1.26 -4.87 105.19 108.61 3ksa n GLY 173 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 3ksa n GLY 173 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ksa s TYR 174 N -0.40 1.20 0.16 1.61 2.02 -1.25 -5.14 117.35 115.56 3ksa s TYR 174 Ca 0.00 -0.37 0.05 0.00 -0.37 0.00 0.00 57.07 56.37 3ksa s TYR 174 Cb 0.00 -0.71 -0.05 0.00 -0.40 0.00 0.00 41.96 40.81 3ksa s TYR 174 CO 0.00 0.04 -0.09 0.00 -1.57 0.00 0.00 175.55 173.92 3ksa s ALA 175 N -0.93 1.55 -0.00 3.71 0.00 -1.26 -0.14 121.76 124.69 3ksa s ALA 175 Ca 0.01 -1.54 0.01 0.00 0.00 0.00 0.00 51.96 50.44 3ksa s ALA 175 Cb -0.08 0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.13 3ksa s ALA 175 CO 0.01 -0.10 -0.04 -0.08 0.00 0.00 0.00 175.76 175.55 3ksa s THR 176 N -3.31 0.34 -0.05 0.00 -1.32 0.50 -4.73 115.64 107.07 3ksa s THR 176 Ca 0.19 -0.20 -0.01 0.00 -1.21 0.00 0.00 61.69 60.46 3ksa s THR 176 Cb 0.03 -0.30 0.03 0.00 -1.51 0.00 0.00 72.50 70.75 3ksa s THR 176 CO 0.02 0.09 0.03 -1.81 -2.21 0.00 0.00 174.62 170.74 3ksa s ASP 177 N -0.13 1.06 -0.17 8.08 -0.00 -0.23 -3.80 116.67 121.49 3ksa s ASP 177 Ca 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 52.55 52.55 3ksa s ASP 177 Cb -0.02 -0.25 0.05 0.00 -0.00 0.00 0.00 42.92 42.70 3ksa s ASP 177 CO -0.00 -0.19 0.01 -0.63 -0.00 0.00 0.00 175.17 174.36 3ksa s ILE 178 N 1.79 0.65 0.53 0.77 1.01 0.22 -1.52 121.20 124.63 3ksa s ILE 178 Ca 0.01 -0.48 -0.21 0.00 0.00 0.00 0.00 60.65 59.97 3ksa s ILE 178 Cb -0.12 -1.03 -0.06 0.00 0.01 0.00 0.00 42.46 41.26 3ksa s ILE 178 CO -0.03 -0.07 1.18 -2.16 0.00 0.00 0.00 174.94 173.86 3ksa s PRO 179 N 1.82 3.39 0.83 2.79 0.05 -1.26 -1.08 135.00 141.52 3ksa s PRO 179 Ca 0.00 1.76 -0.12 0.00 0.05 0.00 0.00 61.00 62.69 3ksa s PRO 179 Cb -0.16 -2.14 0.09 0.00 0.05 0.00 0.00 34.50 32.35 3ksa s PRO 179 CO -0.07 -0.86 1.17 -2.14 0.05 0.00 0.00 177.00 175.15 3ksa s PRO 180 N -3.07 1.57 0.10 0.56 0.02 -1.26 -4.09 135.00 128.83 3ksa s PRO 180 Ca 0.71 1.62 0.02 0.00 0.02 0.00 0.00 61.00 63.37 3ksa s PRO 180 Cb -0.28 -1.78 -0.04 0.00 0.02 0.00 0.00 34.50 32.42 3ksa s PRO 180 CO 0.32 -2.24 -0.07 -1.01 -0.33 0.00 0.00 177.00 173.68 3ksa s HIS 181 N -2.37 0.89 -0.63 6.54 3.76 0.43 -1.14 115.29 122.76 3ksa s HIS 181 Ca 0.70 -0.88 -0.26 0.00 -0.15 0.00 0.00 55.06 54.46 3ksa s HIS 181 Cb -0.25 -0.51 -0.03 0.00 1.11 0.00 0.00 32.58 32.90 3ksa s HIS 181 CO 0.53 -0.14 1.92 1.21 -0.85 0.00 0.00 174.74 177.41 3ksa s ASN 182 N -2.95 5.18 0.21 1.40 3.84 -1.26 -4.46 114.94 116.90 3ksa s ASN 182 Ca 0.11 0.32 -0.01 0.00 0.21 0.00 0.00 52.86 53.48 3ksa s ASN 182 Cb 0.04 -2.53 0.46 0.00 -0.55 0.00 0.00 41.25 38.67 3ksa s ASN 182 CO -0.04 -2.46 1.10 -0.11 -2.79 0.00 0.00 177.10 172.80 3ksa n LEU 183 N 13.14 -0.14 0.12 3.21 0.00 -1.26 -0.82 117.00 131.24 3ksa n LEU 183 Ca 0.23 1.20 -0.08 0.00 0.00 0.00 0.00 56.01 57.36 3ksa n LEU 183 Cb 0.52 -0.41 -0.04 0.00 0.00 0.00 0.00 43.42 43.49 3ksa n LEU 183 CO 0.70 -1.19 0.51 0.00 0.00 0.00 0.00 177.39 177.41 3ksa h ALA 184 N 1.40 -0.90 -0.98 1.96 0.00 -1.91 -2.41 119.26 116.43 3ksa h ALA 184 Ca 0.39 -0.08 0.19 0.00 0.00 0.00 0.00 54.91 55.42 3ksa h ALA 184 Cb 0.74 0.49 -0.09 0.00 0.00 0.00 0.00 17.79 18.93 3ksa h ALA 184 CO -0.68 -0.92 0.61 0.93 0.00 0.00 0.00 179.25 179.19 3ksa h GLU 185 N -0.42 0.63 0.32 0.00 5.08 -1.29 -1.86 114.58 117.04 3ksa h GLU 185 Ca -0.02 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3ksa h GLU 185 Cb 0.37 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3ksa h GLU 185 CO -0.04 0.42 -0.15 0.28 -1.00 0.00 0.00 179.01 178.51 3ksa h VAL 186 N 0.65 0.70 -0.78 3.13 2.07 -1.03 -2.37 116.25 118.63 3ksa h VAL 186 Ca 0.54 -0.22 0.09 0.00 0.82 0.00 0.00 66.70 67.93 3ksa h VAL 186 Cb 0.99 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 3ksa h VAL 186 CO -0.30 0.05 0.51 0.40 0.02 0.00 0.00 177.57 178.24 3ksa h ILE 187 N -0.55 0.97 -0.25 4.57 2.04 -0.87 0.10 117.51 123.52 3ksa h ILE 187 Ca -0.04 -0.26 0.06 0.00 1.00 0.00 0.00 64.86 65.62 3ksa h ILE 187 Cb 0.41 0.16 -0.06 0.00 -0.74 0.00 0.00 36.82 36.58 3ksa h ILE 187 CO 0.07 0.14 -0.14 0.44 0.00 0.00 0.00 178.15 178.66 3ksa h ASP 188 N 0.74 -0.47 -0.18 1.72 3.32 -1.05 0.91 116.42 121.41 3ksa h ASP 188 Ca 0.35 0.11 0.04 0.00 0.02 0.00 0.00 57.03 57.55 3ksa h ASP 188 Cb 0.40 0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.16 3ksa h ASP 188 CO -0.13 -0.18 -0.06 0.00 -1.72 0.00 0.00 179.24 177.15 3ksa h ALA 189 N 1.08 0.10 0.01 3.45 0.00 -0.35 -0.62 119.26 122.93 3ksa h ALA 189 Ca 0.14 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.15 3ksa h ALA 189 Cb 0.32 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3ksa h ALA 189 CO -0.33 -0.50 -0.37 0.00 0.00 0.00 0.00 179.25 178.06 3ksa h ALA 190 N 1.14 -0.57 -0.69 0.00 0.00 -0.42 -0.77 119.26 117.95 3ksa h ALA 190 Ca 0.09 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3ksa h ALA 190 Cb 0.17 0.65 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 3ksa h ALA 190 CO -0.20 -0.90 0.43 0.28 0.00 0.00 0.00 179.25 178.86 3ksa h VAL 191 N -0.53 1.09 -0.14 0.00 2.07 -0.55 0.55 116.25 118.75 3ksa h VAL 191 Ca 0.05 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.31 3ksa h VAL 191 Cb 0.61 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3ksa h VAL 191 CO -0.29 0.15 -0.03 0.22 0.02 0.00 0.00 177.57 177.65 3ksa h TYR 192 N 0.84 -0.06 -0.95 1.57 5.03 -0.49 -1.73 116.97 121.18 3ksa h TYR 192 Ca 0.28 0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.66 3ksa h TYR 192 Cb 0.03 0.05 -0.06 0.00 1.55 0.00 0.00 36.73 38.30 3ksa h TYR 192 CO -0.04 -0.05 0.62 0.52 -1.32 0.00 0.00 178.16 177.88 3ksa h MET 193 N 0.01 1.09 -0.77 1.82 2.86 -0.56 0.96 114.93 120.34 3ksa h MET 193 Ca 0.06 -0.07 0.12 0.00 -2.06 0.00 0.00 59.70 57.76 3ksa h MET 193 Cb 0.10 -0.25 -0.08 0.00 0.06 0.00 0.00 31.60 31.43 3ksa h MET 193 CO -0.14 0.72 0.37 0.82 1.06 0.00 0.00 176.91 179.74 3ksa h ILE 194 N 1.12 0.76 0.17 -1.22 2.04 -0.01 -2.04 117.51 118.33 3ksa h ILE 194 Ca 0.40 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 66.06 3ksa h ILE 194 Cb 0.13 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 3ksa h ILE 194 CO -0.15 0.10 -0.08 0.44 0.00 0.00 0.00 178.15 178.47 3ksa h ASP 195 N 0.57 -0.19 -3.03 1.72 3.32 -0.95 -3.41 116.42 114.45 3ksa h ASP 195 Ca 0.40 0.01 -0.79 0.00 0.02 0.00 0.00 57.03 56.67 3ksa h ASP 195 Cb 0.53 0.05 -0.26 0.00 0.22 0.00 0.00 39.33 39.87 3ksa h ASP 195 CO -0.33 0.27 0.78 1.41 -1.72 0.00 0.00 179.24 179.64 3ksa n HIS 196 N -4.82 4.06 -0.34 4.55 8.25 0.27 -4.93 115.22 122.27 3ksa n HIS 196 Ca -0.03 -3.32 0.06 0.00 -0.26 0.00 0.00 57.72 54.16 3ksa n HIS 196 Cb 0.09 -1.63 0.21 0.00 1.12 0.00 0.00 29.99 29.78 3ksa n HIS 196 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3ksa h PRO 197 N 6.22 0.90 -1.47 -0.41 0.11 -1.62 -2.37 132.00 133.36 3ksa h PRO 197 Ca 0.22 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3ksa h PRO 197 Cb 0.77 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.67 3ksa h PRO 197 CO 1.20 0.60 0.00 0.25 -0.21 0.00 0.00 178.00 179.83 3ksa n THR 198 N -4.66 0.69 -2.26 -1.15 -2.24 -1.26 -4.89 114.28 98.51 3ksa n THR 198 Ca 0.17 -0.04 -0.41 0.00 -2.27 0.00 0.00 64.05 61.50 3ksa n THR 198 Cb 0.33 -0.87 -0.03 0.00 -2.10 0.00 0.00 70.33 67.65 3ksa n THR 198 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ksa s ALA 199 N 0.44 3.48 0.31 6.98 0.00 -0.89 -5.02 121.76 127.05 3ksa s ALA 199 Ca 0.00 1.09 -0.10 0.00 0.00 0.00 0.00 51.96 52.95 3ksa s ALA 199 Cb 0.00 -3.44 -0.07 0.00 0.00 0.00 0.00 23.12 19.61 3ksa s ALA 199 CO 0.00 -0.47 0.65 0.15 0.00 0.00 0.00 175.76 176.09 3ksa s LYS 200 N -0.89 3.80 0.23 0.00 3.01 -1.26 -4.99 119.74 119.64 3ksa s LYS 200 Ca 0.51 0.35 -0.06 0.00 -1.01 0.00 0.00 55.97 55.76 3ksa s LYS 200 Cb -0.36 -2.54 0.31 0.00 -1.01 0.00 0.00 37.83 34.23 3ksa s LYS 200 CO 0.43 0.17 1.84 0.82 0.51 0.00 0.00 175.35 179.12 3ksa h ILE 201 N 1.62 1.02 -0.53 2.17 2.04 -1.99 -2.51 117.51 119.33 3ksa h ILE 201 Ca -0.47 -0.31 0.11 0.00 1.00 0.00 0.00 64.86 65.19 3ksa h ILE 201 Cb 1.18 0.05 -0.10 0.00 -0.74 0.00 0.00 36.82 37.21 3ksa h ILE 201 CO 0.66 0.16 -0.10 0.44 0.00 0.00 0.00 178.15 179.32 3ksa h ASP 202 N 0.89 -0.42 -0.48 1.72 3.32 -1.99 0.12 116.42 119.57 3ksa h ASP 202 Ca 0.35 0.15 -0.08 0.00 0.02 0.00 0.00 57.03 57.48 3ksa h ASP 202 Cb 0.17 0.30 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 3ksa h ASP 202 CO -0.17 -0.15 -0.01 0.11 -1.72 0.00 0.00 179.24 177.29 3ksa h LYS 203 N 0.03 0.86 -0.54 3.56 6.56 -1.90 -2.91 116.57 122.23 3ksa h LYS 203 Ca 0.26 -0.28 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 3ksa h LYS 203 Cb 0.40 -0.07 -0.03 0.00 -0.57 0.00 0.00 32.23 31.96 3ksa h LYS 203 CO -0.52 0.91 0.36 -0.07 -2.06 0.00 0.00 179.45 178.06 3ksa h LEU 204 N 0.71 0.63 -1.74 2.94 3.38 -0.85 -1.75 115.31 118.63 3ksa h LEU 204 Ca 0.13 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.10 3ksa h LEU 204 Cb 0.53 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3ksa h LEU 204 CO 0.03 0.46 0.19 0.24 0.09 0.00 0.00 178.44 179.44 3ksa h MET 205 N 0.74 0.34 -0.92 1.13 2.86 -0.61 0.69 114.93 119.15 3ksa h MET 205 Ca 0.20 -0.02 0.13 0.00 -2.06 0.00 0.00 59.70 57.95 3ksa h MET 205 Cb -0.08 -0.08 -0.07 0.00 0.06 0.00 0.00 31.60 31.43 3ksa h MET 205 CO -0.04 0.22 0.59 0.93 1.06 0.00 0.00 176.91 179.67 3ksa h GLU 206 N 0.35 0.79 0.00 1.72 3.07 -1.28 -2.77 114.58 116.46 3ksa h GLU 206 Ca 0.11 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 3ksa h GLU 206 Cb 0.00 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 27.73 3ksa h GLU 206 CO -0.02 0.52 0.00 1.19 -1.40 0.00 0.00 179.01 179.30 3ksa n PHE 207 N -4.58 0.00 -2.78 4.33 3.01 0.06 -4.72 117.46 112.78 3ksa n PHE 207 Ca 0.18 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.21 3ksa n PHE 207 Cb 0.41 -0.36 -0.03 0.00 -0.01 0.00 0.00 39.48 39.49 3ksa n PHE 207 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3ksa s LEU 208 N -3.41 4.27 -0.16 4.37 1.02 -0.16 -4.80 118.68 119.81 3ksa s LEU 208 Ca 0.00 -1.36 0.05 0.00 0.02 0.00 0.00 54.13 52.84 3ksa s LEU 208 Cb 0.00 -2.46 0.40 0.00 0.02 0.00 0.00 46.19 44.14 3ksa s LEU 208 CO 0.00 -1.38 1.27 -2.65 0.02 0.00 0.00 176.35 173.61 3ksa n PRO 209 N 7.78 2.51 0.00 1.29 -0.02 -1.05 -4.12 135.00 141.39 3ksa n PRO 209 Ca 0.14 -1.60 0.00 0.00 -2.02 0.00 0.00 63.50 60.01 3ksa n PRO 209 Cb 0.48 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 3ksa n PRO 209 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ksa n GLY 210 N 0.07 2.13 3.51 -1.23 0.00 -1.26 -5.08 105.19 103.32 3ksa n GLY 210 Ca 0.21 -2.08 -0.35 0.00 0.00 0.00 0.00 46.02 43.80 3ksa n GLY 210 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ksa n PRO 211 N 0.21 0.19 -3.81 1.61 -0.02 -1.26 -4.78 135.00 127.14 3ksa n PRO 211 Ca 0.00 0.11 -0.30 0.00 -2.02 0.00 0.00 63.50 61.30 3ksa n PRO 211 Cb 0.00 -1.97 -0.15 0.00 -0.02 0.00 0.00 33.50 31.35 3ksa n PRO 211 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3ksa s ASP 212 N -1.70 4.09 0.17 2.55 2.15 -0.29 -4.87 116.67 118.76 3ksa s ASP 212 Ca 0.66 -1.64 -0.30 0.00 0.43 0.00 0.00 52.55 51.70 3ksa s ASP 212 Cb -0.31 -1.04 -0.07 0.00 -0.30 0.00 0.00 42.92 41.20 3ksa s ASP 212 CO 0.58 -0.38 0.99 -0.36 -0.17 0.00 0.00 175.17 175.82 3ksa s PHE 213 N 1.46 3.81 0.17 -5.34 0.08 -1.26 -4.05 117.98 112.86 3ksa s PHE 213 Ca 0.08 1.79 0.35 0.00 0.12 0.00 0.00 56.93 59.27 3ksa s PHE 213 Cb -0.18 -3.08 1.64 0.00 -0.57 0.00 0.00 43.02 40.83 3ksa s PHE 213 CO -0.18 0.10 2.04 -1.35 -0.10 0.00 0.00 175.22 175.73 3ksa h PRO 214 N 5.02 0.00 -0.50 0.24 0.11 -1.85 -1.10 132.00 133.92 3ksa h PRO 214 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3ksa h PRO 214 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3ksa h PRO 214 CO 0.71 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.75 3ksa n THR 215 N -2.88 0.79 -0.09 -1.15 -2.24 -1.26 -4.86 114.28 102.59 3ksa n THR 215 Ca -0.01 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 3ksa n THR 215 Cb 0.19 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 3ksa n THR 215 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ksa n GLY 216 N 1.00 1.93 0.00 3.38 0.00 -0.42 -3.93 105.19 107.15 3ksa n GLY 216 Ca 0.15 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3ksa n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ksa n ALA 217 N 10.94 0.00 -2.95 4.61 0.00 -1.26 -4.27 120.51 127.58 3ksa n ALA 217 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 3ksa n ALA 217 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 3ksa n ALA 217 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ksa s ILE 218 N -1.79 3.34 -0.19 0.00 1.01 -0.40 -1.37 121.20 121.81 3ksa s ILE 218 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.09 3ksa s ILE 218 Cb 0.00 -2.41 0.02 0.00 0.01 0.00 0.00 42.46 40.08 3ksa s ILE 218 CO 0.00 0.53 -0.17 -0.63 0.00 0.00 0.00 174.94 174.66 3ksa s ILE 219 N 0.17 2.25 -0.13 2.92 1.01 0.53 -0.16 121.20 127.79 3ksa s ILE 219 Ca -0.05 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.72 3ksa s ILE 219 Cb -0.15 -1.97 0.02 0.00 0.01 0.00 0.00 42.46 40.37 3ksa s ILE 219 CO 0.04 0.51 -0.15 -1.10 0.00 0.00 0.00 174.94 174.24 3ksa s GLN 220 N 1.31 2.31 0.00 2.79 -1.52 0.02 -0.69 119.66 123.89 3ksa s GLN 220 Ca 0.05 -0.58 0.00 0.00 -1.95 0.00 0.00 55.36 52.88 3ksa s GLN 220 Cb -0.13 -2.02 0.00 0.00 -0.22 0.00 0.00 33.01 30.64 3ksa s GLN 220 CO -0.11 -0.13 0.00 0.41 -0.25 0.00 0.00 175.29 175.21 3ksa n GLY 221 N 4.41 0.00 0.33 3.09 0.00 -1.26 -2.04 105.19 109.72 3ksa n GLY 221 Ca -0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.85 3ksa n GLY 221 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ksa h ARG 222 N 0.00 -0.02 0.44 1.61 2.47 -1.90 -1.33 114.38 115.64 3ksa h ARG 222 Ca 0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 3ksa h ARG 222 Cb 0.00 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.31 3ksa h ARG 222 CO 0.00 -0.01 -0.37 0.38 0.56 0.00 0.00 179.97 180.52 3ksa h ASP 223 N -0.02 -0.99 0.23 7.04 2.03 -1.98 -2.19 116.42 120.54 3ksa h ASP 223 Ca 0.38 0.08 -0.03 0.00 -0.73 0.00 0.00 57.03 56.72 3ksa h ASP 223 Cb 0.61 0.32 -0.00 0.00 -0.83 0.00 0.00 39.33 39.43 3ksa h ASP 223 CO -0.87 -0.54 -0.16 1.05 -1.03 0.00 0.00 179.24 177.69 3ksa h GLU 224 N -0.82 0.00 -0.66 4.15 -0.00 -1.77 -2.62 114.58 112.86 3ksa h GLU 224 Ca -0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.30 3ksa h GLU 224 Cb 0.71 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.43 3ksa h GLU 224 CO -0.02 0.16 0.32 0.82 -0.00 0.00 0.00 179.01 180.29 3ksa h ILE 225 N 0.00 1.22 -0.07 -1.06 2.04 -0.67 0.16 117.51 119.14 3ksa h ILE 225 Ca -0.00 -0.62 0.02 0.00 1.00 0.00 0.00 64.86 65.26 3ksa h ILE 225 Cb 0.32 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 3ksa h ILE 225 CO 0.02 0.26 -0.05 0.11 0.00 0.00 0.00 178.15 178.49 3ksa h LYS 226 N 0.91 -0.05 -0.63 2.37 1.79 -1.08 -0.08 116.57 119.80 3ksa h LYS 226 Ca 0.23 0.00 0.13 0.00 -2.18 0.00 0.00 60.65 58.83 3ksa h LYS 226 Cb 0.11 0.01 -0.10 0.00 -1.58 0.00 0.00 32.23 30.67 3ksa h LYS 226 CO -0.03 -0.04 0.07 1.57 -1.08 0.00 0.00 179.45 179.94 3ksa h LYS 227 N -0.06 0.17 0.21 3.15 -0.00 -1.04 0.23 116.57 119.24 3ksa h LYS 227 Ca 0.05 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.65 60.68 3ksa h LYS 227 Cb 0.12 -0.04 -0.00 0.00 -0.00 0.00 0.00 32.23 32.31 3ksa h LYS 227 CO -0.10 0.11 -0.14 0.00 -0.00 0.00 0.00 179.45 179.32 3ksa h ALA 228 N 1.55 -0.33 -0.51 0.07 0.00 -0.67 0.23 119.26 119.60 3ksa h ALA 228 Ca 0.33 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.20 3ksa h ALA 228 Cb 0.54 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3ksa h ALA 228 CO -0.49 -0.69 0.34 1.88 0.00 0.00 0.00 179.25 180.29 3ksa h TYR 229 N -0.34 0.62 0.15 0.00 0.05 0.55 0.31 116.97 118.30 3ksa h TYR 229 Ca -0.02 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 3ksa h TYR 229 Cb 0.29 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 37.82 3ksa h TYR 229 CO -0.09 0.38 -0.07 0.93 -1.05 0.00 0.00 178.16 178.26 3ksa h GLU 230 N 0.66 -0.19 0.02 4.88 3.07 -0.42 0.33 114.58 122.93 3ksa h GLU 230 Ca 0.20 0.01 -0.19 0.00 -0.50 0.00 0.00 59.36 58.88 3ksa h GLU 230 Cb -0.02 0.04 0.02 0.00 -0.84 0.00 0.00 28.75 27.95 3ksa h GLU 230 CO -0.05 -0.13 -0.76 1.79 -1.40 0.00 0.00 179.01 178.47 3ksa h THR 231 N -0.88 1.40 0.00 1.13 1.35 -0.54 -3.36 112.91 112.00 3ksa h THR 231 Ca -0.02 -2.19 0.00 0.00 -0.55 0.00 0.00 66.41 63.65 3ksa h THR 231 Cb 0.15 2.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.20 3ksa h THR 231 CO 0.03 0.65 0.00 0.61 -0.25 0.00 0.00 175.52 176.56 3ksa n GLY 232 N 1.16 2.51 3.37 5.82 0.00 0.11 -4.41 105.19 113.74 3ksa n GLY 232 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 3ksa n GLY 232 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ksa s LYS 233 N -0.25 2.16 -0.12 1.61 1.02 -1.26 -0.59 119.74 122.31 3ksa s LYS 233 Ca 0.00 -0.90 -0.31 0.00 0.02 0.00 0.00 55.97 54.77 3ksa s LYS 233 Cb 0.00 -2.12 0.13 0.00 -0.52 0.00 0.00 37.83 35.31 3ksa s LYS 233 CO 0.00 0.57 1.05 0.20 -0.92 0.00 0.00 175.35 176.24 3ksa s GLY 234 N -0.80 -0.33 -0.06 -3.33 0.00 -1.06 -3.17 107.32 98.57 3ksa s GLY 234 Ca 0.11 1.56 0.05 0.00 0.00 0.00 0.00 44.72 46.44 3ksa s GLY 234 CO 0.00 0.61 -0.23 0.50 0.00 0.00 0.00 173.10 173.98 3ksa s ARG 235 N -2.28 2.63 0.18 2.90 0.52 -1.26 -0.11 118.95 121.52 3ksa s ARG 235 Ca 0.05 -0.87 0.08 0.00 -0.52 0.00 0.00 55.73 54.47 3ksa s ARG 235 Cb -0.01 -2.22 -0.04 0.00 0.52 0.00 0.00 34.95 33.20 3ksa s ARG 235 CO -0.05 0.38 -0.17 0.08 0.02 0.00 0.00 175.30 175.56 3ksa s VAL 236 N -0.15 1.79 -0.09 3.52 1.01 -0.39 -4.72 120.40 121.37 3ksa s VAL 236 Ca -0.04 -2.00 -0.02 0.00 0.00 0.00 0.00 61.98 59.93 3ksa s VAL 236 Cb -0.14 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 3ksa s VAL 236 CO 0.04 -0.40 -0.01 -0.69 0.00 0.00 0.00 175.10 174.04 3ksa s VAL 237 N -2.31 4.18 -0.10 2.92 1.01 -0.87 -1.24 120.40 123.99 3ksa s VAL 237 Ca 0.17 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.87 3ksa s VAL 237 Cb -0.04 -2.76 0.02 0.00 0.00 0.00 0.00 36.38 33.59 3ksa s VAL 237 CO 0.07 0.59 -0.11 -0.69 0.00 0.00 0.00 175.10 174.95 3ksa s VAL 238 N -0.68 1.21 -0.08 2.92 1.01 -0.24 -0.80 120.40 123.75 3ksa s VAL 238 Ca 0.11 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.67 3ksa s VAL 238 Cb -0.12 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.11 3ksa s VAL 238 CO 0.02 0.39 -0.20 -0.13 0.00 0.00 0.00 175.10 175.18 3ksa s ARG 239 N 1.20 2.48 0.86 2.72 0.52 0.77 -1.95 118.95 125.55 3ksa s ARG 239 Ca -0.04 -0.73 -0.14 0.00 -0.52 0.00 0.00 55.73 54.31 3ksa s ARG 239 Cb -0.14 -1.95 0.03 0.00 0.52 0.00 0.00 34.95 33.41 3ksa s ARG 239 CO -0.03 0.17 0.62 -1.13 0.02 0.00 0.00 175.30 174.95 3ksa n SER 240 N 3.48 -1.17 -4.57 0.23 3.41 -0.20 -1.27 113.62 113.52 3ksa n SER 240 Ca -0.20 0.45 -0.36 0.00 -0.26 0.00 0.00 58.87 58.50 3ksa n SER 240 Cb 0.53 -1.28 -0.11 0.00 -0.26 0.00 0.00 64.21 63.09 3ksa n SER 240 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3ksa s LYS 241 N -3.55 3.90 0.05 4.33 2.20 -1.06 -4.77 119.74 120.84 3ksa s LYS 241 Ca 0.63 -0.36 0.08 0.00 -0.36 0.00 0.00 55.97 55.95 3ksa s LYS 241 Cb -0.26 -3.42 -0.03 0.00 -1.51 0.00 0.00 37.83 32.60 3ksa s LYS 241 CO 0.62 -0.02 -0.20 0.95 -0.36 0.00 0.00 175.35 176.34 3ksa s THR 242 N 1.21 2.67 0.03 3.43 -4.23 -1.26 -2.98 115.64 114.51 3ksa s THR 242 Ca 0.06 -1.26 0.02 0.00 -1.18 0.00 0.00 61.69 59.33 3ksa s THR 242 Cb -0.14 -2.12 -0.02 0.00 1.34 0.00 0.00 72.50 71.56 3ksa s THR 242 CO 0.05 0.31 -0.07 -1.61 -0.54 0.00 0.00 174.62 172.76 3ksa s GLU 243 N -1.49 0.49 -0.18 3.99 8.01 -0.80 -5.00 118.70 123.73 3ksa s GLU 243 Ca 0.14 -0.56 -0.03 0.00 0.01 0.00 0.00 54.97 54.53 3ksa s GLU 243 Cb -0.10 -0.34 -0.02 0.00 -4.31 0.00 0.00 34.13 29.36 3ksa s GLU 243 CO 0.05 0.07 -0.07 0.96 0.01 0.00 0.00 175.26 176.29 3ksa s ILE 244 N -0.95 3.42 -0.00 -1.63 -0.00 -1.26 -0.47 121.20 120.31 3ksa s ILE 244 Ca -0.06 -0.51 0.05 0.00 -0.00 0.00 0.00 60.65 60.13 3ksa s ILE 244 Cb -0.07 -2.51 -0.03 0.00 -0.00 0.00 0.00 42.46 39.85 3ksa s ILE 244 CO 0.00 0.47 -0.13 -1.61 -0.00 0.00 0.00 174.94 173.68 3ksa s GLU 245 N 0.86 2.39 -0.46 0.37 2.02 -1.26 -4.96 118.70 117.65 3ksa s GLU 245 Ca -0.02 -0.79 0.03 0.00 0.02 0.00 0.00 54.97 54.21 3ksa s GLU 245 Cb -0.15 -2.37 0.13 0.00 0.10 0.00 0.00 34.13 31.84 3ksa s GLU 245 CO 0.01 0.59 0.22 -1.59 0.02 0.00 0.00 175.26 174.51 3ksa s LYS 246 N -1.21 1.60 0.00 1.61 0.00 -1.26 -4.71 119.74 115.76 3ksa s LYS 246 Ca 0.15 -2.22 0.00 0.00 0.00 0.00 0.00 55.97 53.90 3ksa s LYS 246 Cb -0.11 -2.88 0.00 0.00 0.00 0.00 0.00 37.83 34.84 3ksa s LYS 246 CO 0.05 -1.10 0.00 0.94 0.00 0.00 0.00 175.35 175.24 3ksa n GLN 253 N 3.51 0.00 -4.04 1.78 7.27 -1.26 -5.28 117.38 119.36 3ksa n GLN 253 Ca 0.06 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.78 3ksa n GLN 253 Cb 0.35 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 32.88 3ksa n GLN 253 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3ksa s ILE 254 N -0.41 4.23 -0.13 1.69 1.01 0.14 -4.27 121.20 123.46 3ksa s ILE 254 Ca 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.42 3ksa s ILE 254 Cb 0.00 -2.92 -0.02 0.00 0.01 0.00 0.00 42.46 39.53 3ksa s ILE 254 CO 0.00 0.42 -0.09 -0.69 0.00 0.00 0.00 174.94 174.59 3ksa s VAL 255 N 0.89 3.45 -0.16 2.92 1.01 0.38 -0.56 120.40 128.34 3ksa s VAL 255 Ca 0.02 -0.53 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 3ksa s VAL 255 Cb -0.14 -2.46 -0.00 0.00 0.00 0.00 0.00 36.38 33.77 3ksa s VAL 255 CO 0.02 0.53 -0.14 -0.63 0.00 0.00 0.00 175.10 174.88 3ksa s ILE 256 N 0.14 2.76 -0.00 2.22 1.01 -0.13 -1.91 121.20 125.28 3ksa s ILE 256 Ca -0.04 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.87 3ksa s ILE 256 Cb -0.14 -2.17 0.01 0.00 0.01 0.00 0.00 42.46 40.16 3ksa s ILE 256 CO 0.04 0.51 0.73 0.35 0.00 0.00 0.00 174.94 176.57 3ksa n THR 257 N 4.06 0.45 -3.63 2.92 -2.24 -1.16 -1.86 114.28 112.82 3ksa n THR 257 Ca -0.19 -0.46 -0.14 0.00 -2.27 0.00 0.00 64.05 60.99 3ksa n THR 257 Cb 0.52 0.75 -0.07 0.00 -2.10 0.00 0.00 70.33 69.43 3ksa n THR 257 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3ksa s GLU 258 N -0.47 0.84 0.23 -0.78 2.02 -1.26 -4.70 118.70 114.56 3ksa s GLU 258 Ca 0.01 1.00 0.04 0.00 0.02 0.00 0.00 54.97 56.03 3ksa s GLU 258 Cb 0.01 0.41 -0.05 0.00 0.10 0.00 0.00 34.13 34.59 3ksa s GLU 258 CO 0.00 -0.10 -0.02 0.96 0.02 0.00 0.00 175.26 176.12 3ksa s ILE 259 N 0.39 1.10 -0.00 -1.63 -4.36 -1.25 -2.55 121.20 112.89 3ksa s ILE 259 Ca -0.00 -2.04 -0.30 0.00 -0.26 0.00 0.00 60.65 58.05 3ksa s ILE 259 Cb -0.05 -2.30 -0.07 0.00 1.25 0.00 0.00 42.46 41.29 3ksa s ILE 259 CO 0.01 -0.37 1.78 -2.84 0.24 0.00 0.00 174.94 173.76 3ksa s PRO 260 N -3.84 4.17 0.05 0.37 0.02 -1.26 -4.63 135.00 129.87 3ksa s PRO 260 Ca 0.27 2.38 -0.10 0.00 0.02 0.00 0.00 61.00 63.57 3ksa s PRO 260 Cb 0.05 -4.00 -0.06 0.00 0.02 0.00 0.00 34.50 30.51 3ksa s PRO 260 CO 0.08 -0.88 0.21 0.98 -0.33 0.00 0.00 177.00 177.07 3ksa n TYR 261 N 7.09 -0.08 -1.35 6.54 9.36 -1.26 -1.77 117.16 135.70 3ksa n TYR 261 Ca 0.18 0.33 -0.12 0.00 3.32 0.00 0.00 57.90 61.61 3ksa n TYR 261 Cb 0.42 -0.67 -0.05 0.00 -0.63 0.00 0.00 39.34 38.41 3ksa n TYR 261 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 3ksa n GLU 262 N 0.37 -0.96 -4.25 2.98 1.02 -1.26 -4.99 120.64 113.55 3ksa n GLU 262 Ca 0.06 0.90 -0.30 0.00 -0.02 0.00 0.00 57.16 57.80 3ksa n GLU 262 Cb 0.07 -4.95 -0.09 0.00 -0.02 0.00 0.00 31.44 26.44 3ksa n GLU 262 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 3ksa s ILE 263 N -2.38 3.63 -0.95 -3.67 -1.16 -0.73 -5.08 121.20 110.87 3ksa s ILE 263 Ca 0.00 -1.07 -0.15 0.00 -0.51 0.00 0.00 60.65 58.92 3ksa s ILE 263 Cb 0.00 -2.68 0.18 0.00 0.61 0.00 0.00 42.46 40.57 3ksa s ILE 263 CO 0.00 0.18 1.04 0.21 -2.81 0.00 0.00 174.94 173.56 3ksa s ASN 264 N -2.05 6.81 0.21 4.50 3.84 -1.26 -4.94 114.94 122.04 3ksa s ASN 264 Ca 0.22 -2.56 0.02 0.00 0.21 0.00 0.00 52.86 50.75 3ksa s ASN 264 Cb -0.11 -2.31 0.54 0.00 -0.55 0.00 0.00 41.25 38.82 3ksa s ASN 264 CO 0.14 -0.77 1.06 1.17 -2.79 0.00 0.00 177.10 175.91 3ksa n LYS 265 N 5.12 -0.05 0.37 0.43 4.81 -1.15 -0.85 118.16 126.84 3ksa n LYS 265 Ca 0.22 1.01 -0.15 0.00 -0.87 0.00 0.00 58.31 58.52 3ksa n LYS 265 Cb 0.47 -1.62 -0.07 0.00 0.02 0.00 0.00 35.03 33.83 3ksa n LYS 265 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ksa h ALA 266 N 1.35 -1.25 -0.92 3.14 0.00 -1.74 -1.32 119.26 118.53 3ksa h ALA 266 Ca 0.42 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.15 3ksa h ALA 266 Cb 0.89 0.39 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 3ksa h ALA 266 CO -0.63 -1.18 0.60 -0.91 0.00 0.00 0.00 179.25 177.13 3ksa h ASN 267 N -0.96 1.02 -0.70 0.00 -0.26 -1.64 -1.96 115.58 111.08 3ksa h ASN 267 Ca -0.10 -0.01 0.15 0.00 -0.56 0.00 0.00 56.30 55.78 3ksa h ASN 267 Cb 0.74 -0.24 -0.11 0.00 -1.06 0.00 0.00 38.32 37.66 3ksa h ASN 267 CO 0.15 0.71 0.15 0.25 -1.06 0.00 0.00 177.43 177.63 3ksa h LEU 268 N 1.19 -0.02 -0.07 1.61 7.12 -0.84 0.16 115.31 124.46 3ksa h LEU 268 Ca 0.36 0.14 -0.00 0.00 0.13 0.00 0.00 57.88 58.51 3ksa h LEU 268 Cb -0.05 0.20 -0.00 0.00 -0.53 0.00 0.00 40.66 40.28 3ksa h LEU 268 CO -0.10 -0.04 0.04 0.58 -0.13 0.00 0.00 178.44 178.79 3ksa h VAL 269 N 0.25 1.09 -0.17 1.05 2.07 -0.50 -2.35 116.25 117.70 3ksa h VAL 269 Ca 0.39 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.69 3ksa h VAL 269 Cb 0.65 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 3ksa h VAL 269 CO -0.49 0.08 -0.08 0.11 0.02 0.00 0.00 177.57 177.20 3ksa h LYS 270 N 0.02 -0.07 -0.75 1.57 6.56 -0.71 -2.08 116.57 121.11 3ksa h LYS 270 Ca 0.03 0.00 0.13 0.00 -1.06 0.00 0.00 60.65 59.75 3ksa h LYS 270 Cb 0.09 0.01 -0.05 0.00 -0.57 0.00 0.00 32.23 31.71 3ksa h LYS 270 CO -0.00 -0.04 0.50 0.87 -2.06 0.00 0.00 179.45 178.71 3ksa h LYS 271 N -0.07 0.47 0.19 3.15 1.57 -0.66 0.17 116.57 121.39 3ksa h LYS 271 Ca 0.09 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3ksa h LYS 271 Cb 0.21 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3ksa h LYS 271 CO -0.21 0.31 -0.09 0.82 -0.57 0.00 0.00 179.45 179.71 3ksa h ILE 272 N 0.48 0.92 -0.35 1.86 2.04 -0.85 -2.96 117.51 118.66 3ksa h ILE 272 Ca 0.36 -0.71 0.01 0.00 1.00 0.00 0.00 64.86 65.52 3ksa h ILE 272 Cb 0.73 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 3ksa h ILE 272 CO -0.12 0.16 0.23 -0.78 0.00 0.00 0.00 178.15 177.63 3ksa h ASP 273 N -0.61 0.39 -0.66 1.72 3.58 -0.69 0.46 116.42 120.60 3ksa h ASP 273 Ca -0.03 -0.01 0.06 0.00 0.42 0.00 0.00 57.03 57.47 3ksa h ASP 273 Cb 0.45 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.36 3ksa h ASP 273 CO 0.04 0.28 0.44 0.44 -2.88 0.00 0.00 179.24 177.56 3ksa h ASP 274 N 0.46 0.60 -0.21 2.28 5.19 -0.71 -0.86 116.42 123.18 3ksa h ASP 274 Ca 0.13 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.55 3ksa h ASP 274 Cb -0.03 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.33 3ksa h ASP 274 CO -0.03 0.40 0.10 0.58 -3.12 0.00 0.00 179.24 177.17 3ksa h VAL 275 N 0.69 0.99 0.45 -1.35 2.07 -0.73 -1.00 116.25 117.37 3ksa h VAL 275 Ca 0.28 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.71 3ksa h VAL 275 Cb 0.23 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3ksa h VAL 275 CO -0.09 0.04 -0.34 -0.09 0.02 0.00 0.00 177.57 177.11 3ksa h ARG 276 N 0.22 -0.75 -0.40 1.57 2.43 -1.09 -1.32 114.38 115.05 3ksa h ARG 276 Ca 0.09 0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.34 3ksa h ARG 276 Cb 0.02 0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 3ksa h ARG 276 CO -0.06 -0.50 0.20 0.28 -1.51 0.00 0.00 179.97 178.38 3ksa h VAL 277 N -0.78 0.98 0.00 0.20 2.07 -1.15 0.77 116.25 118.34 3ksa h VAL 277 Ca -0.04 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3ksa h VAL 277 Cb 0.67 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3ksa h VAL 277 CO 0.00 0.07 0.00 0.59 0.02 0.00 0.00 177.57 178.26 3ksa n ASN 278 N -4.92 0.00 -3.92 0.57 5.03 -0.39 -4.86 115.26 106.77 3ksa n ASN 278 Ca 0.02 -0.14 -0.26 0.00 0.87 0.00 0.00 54.58 55.06 3ksa n ASN 278 Cb 0.10 -0.12 -0.08 0.00 -1.02 0.00 0.00 39.78 38.66 3ksa n ASN 278 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3ksa n ASN 279 N -1.12 0.27 0.26 6.41 3.02 0.27 -4.78 115.26 119.58 3ksa n ASN 279 Ca 0.07 -1.00 0.16 0.00 -0.03 0.00 0.00 54.58 53.78 3ksa n ASN 279 Cb 0.06 -1.25 0.60 0.00 -0.61 0.00 0.00 39.78 38.57 3ksa n ASN 279 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3ksa h LYS 280 N -1.08 0.00 -4.61 3.52 1.57 -1.54 -3.44 116.57 110.99 3ksa h LYS 280 Ca -0.51 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.03 3ksa h LYS 280 Cb 1.10 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.26 3ksa h LYS 280 CO 0.59 0.00 -0.65 0.54 -0.57 0.00 0.00 179.45 179.36 3ksa s VAL 281 N -3.57 0.33 0.00 0.50 0.11 -1.26 -5.13 120.40 111.38 3ksa s VAL 281 Ca 0.02 -1.95 0.00 0.00 -2.93 0.00 0.00 61.98 57.12 3ksa s VAL 281 Cb 0.08 -2.16 0.00 0.00 -1.53 0.00 0.00 36.38 32.77 3ksa s VAL 281 CO 0.55 -0.39 0.00 0.00 -3.33 0.00 0.00 175.10 171.93 3ksa n ALA 282 N -0.19 0.00 0.26 1.54 0.00 -1.26 -3.92 120.51 116.93 3ksa n ALA 282 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3ksa n ALA 282 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 3ksa n ALA 282 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ksa n GLY 283 N 0.00 -0.07 3.53 0.00 0.00 -1.26 -4.81 105.19 102.57 3ksa n GLY 283 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.49 3ksa n GLY 283 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3ksa n ILE 284 N -0.32 0.54 0.00 -0.61 2.08 -1.25 -3.58 119.36 116.22 3ksa n ILE 284 Ca 0.00 -0.14 0.00 0.00 0.56 0.00 0.00 62.75 63.17 3ksa n ILE 284 Cb 0.01 -0.41 0.00 0.00 -0.75 0.00 0.00 39.64 38.48 3ksa n ILE 284 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3ksa n ALA 285 N 1.50 2.13 -3.57 -1.39 0.00 -1.26 -4.80 120.51 113.12 3ksa n ALA 285 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.62 3ksa n ALA 285 Cb 0.17 0.26 -0.04 0.00 0.00 0.00 0.00 19.45 19.85 3ksa n ALA 285 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3ksa s VAL 287 N -1.59 -0.95 0.03 0.00 -7.23 -1.26 -4.95 120.40 104.44 3ksa s VAL 287 Ca 0.00 0.00 0.05 0.00 -1.81 0.00 0.00 61.98 60.22 3ksa s VAL 287 Cb 0.00 -1.00 -0.02 0.00 0.56 0.00 0.00 36.38 35.92 3ksa s VAL 287 CO 0.00 0.00 -0.15 -0.13 -0.31 0.00 0.00 175.10 174.51 3ksa s ARG 288 N 2.86 1.04 -0.23 4.82 3.00 -0.20 -4.94 118.95 125.31 3ksa s ARG 288 Ca -0.03 -0.73 -0.04 0.00 0.00 0.00 0.00 55.73 54.93 3ksa s ARG 288 Cb -0.12 -1.06 -0.01 0.00 0.00 0.00 0.00 34.95 33.77 3ksa s ARG 288 CO -0.19 0.27 -0.02 0.34 0.00 0.00 0.00 175.30 175.70 3ksa s ASP 289 N -0.98 4.47 -0.63 0.23 3.68 -1.26 -0.85 116.67 121.32 3ksa s ASP 289 Ca 0.03 -0.43 0.05 0.00 2.13 0.00 0.00 52.55 54.34 3ksa s ASP 289 Cb -0.07 -1.77 0.20 0.00 -1.45 0.00 0.00 42.92 39.82 3ksa s ASP 289 CO 0.01 -0.04 0.55 -1.84 0.13 0.00 0.00 175.17 173.97 3ksa n GLU 290 N 4.81 1.75 -5.25 4.34 -0.00 -0.93 -5.02 120.64 120.34 3ksa n GLU 290 Ca -0.18 -4.30 -0.32 0.00 -0.00 0.00 0.00 57.16 52.37 3ksa n GLU 290 Cb 0.50 -2.13 -0.16 0.00 -0.00 0.00 0.00 31.44 29.65 3ksa n GLU 290 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 3ksa s SER 291 N -1.54 3.09 0.19 -1.84 0.01 -1.26 -4.33 113.70 108.03 3ksa s SER 291 Ca 0.31 -0.51 0.03 0.00 1.31 0.00 0.00 55.95 57.09 3ksa s SER 291 Cb 0.03 -0.88 -0.05 0.00 0.21 0.00 0.00 66.02 65.34 3ksa s SER 291 CO -0.13 0.24 -0.03 1.51 0.41 0.00 0.00 173.24 175.25 3ksa s ASP 292 N -0.14 1.62 -0.97 2.44 1.47 -1.24 -5.02 116.67 114.83 3ksa s ASP 292 Ca -0.04 -1.15 -0.18 0.00 1.18 0.00 0.00 52.55 52.36 3ksa s ASP 292 Cb -0.14 0.04 -0.28 0.00 -0.34 0.00 0.00 42.92 42.20 3ksa s ASP 292 CO 0.04 -0.48 2.36 -2.11 0.68 0.00 0.00 175.17 175.66 3ksa n ARG 293 N -0.30 0.08 0.00 2.11 1.85 -1.26 -3.03 116.66 116.11 3ksa n ARG 293 Ca -0.07 -0.06 0.00 0.00 -1.00 0.00 0.00 57.85 56.72 3ksa n ARG 293 Cb 0.63 -1.44 0.00 0.00 -1.05 0.00 0.00 32.46 30.60 3ksa n ARG 293 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 3ksa n ASP 294 N 8.46 0.00 0.00 2.89 3.85 -1.26 -5.15 116.55 125.34 3ksa n ASP 294 Ca 0.65 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.73 3ksa n ASP 294 Cb 0.14 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.91 3ksa n ASP 294 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ksa n GLY 295 N 0.00 4.71 3.57 6.12 0.00 -1.17 -5.10 105.19 113.32 3ksa n GLY 295 Ca 0.00 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.61 3ksa n GLY 295 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ksa s LEU 296 N 0.00 3.56 -0.13 0.99 0.20 -1.26 -3.68 118.68 118.36 3ksa s LEU 296 Ca 0.00 -0.01 -0.04 0.00 0.69 0.00 0.00 54.13 54.77 3ksa s LEU 296 Cb 0.00 -1.88 0.06 0.00 -0.43 0.00 0.00 46.19 43.94 3ksa s LEU 296 CO 0.00 0.18 0.19 -0.60 -0.29 0.00 0.00 176.35 175.83 3ksa s ARG 297 N 0.35 0.09 -0.13 1.98 3.52 -1.25 -4.33 118.95 119.18 3ksa s ARG 297 Ca -0.00 0.48 0.01 0.00 -0.13 0.00 0.00 55.73 56.09 3ksa s ARG 297 Cb -0.13 -0.53 0.02 0.00 -1.56 0.00 0.00 34.95 32.74 3ksa s ARG 297 CO 0.01 -0.41 -0.16 0.42 -0.81 0.00 0.00 175.30 174.36 3ksa s ILE 298 N 2.32 1.62 -0.22 4.11 1.01 -0.78 -2.19 121.20 127.08 3ksa s ILE 298 Ca 0.04 -0.70 -0.06 0.00 0.00 0.00 0.00 60.65 59.93 3ksa s ILE 298 Cb -0.13 -1.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.83 3ksa s ILE 298 CO -0.08 0.47 0.02 0.00 0.00 0.00 0.00 174.94 175.35 3ksa s ALA 299 N 1.12 3.04 -0.38 9.38 0.00 -0.03 -0.96 121.76 133.93 3ksa s ALA 299 Ca -0.03 -1.07 -0.00 0.00 0.00 0.00 0.00 51.96 50.86 3ksa s ALA 299 Cb -0.14 -1.87 0.11 0.00 0.00 0.00 0.00 23.12 21.21 3ksa s ALA 299 CO -0.05 -0.31 0.14 0.42 0.00 0.00 0.00 175.76 175.96 3ksa s ILE 300 N 1.29 2.88 -0.18 0.00 1.01 0.27 -1.03 121.20 125.44 3ksa s ILE 300 Ca 0.04 -2.17 -0.07 0.00 0.00 0.00 0.00 60.65 58.45 3ksa s ILE 300 Cb -0.15 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 3ksa s ILE 300 CO 0.01 -0.65 0.06 -1.61 0.00 0.00 0.00 174.94 172.76 3ksa s GLU 301 N 1.04 3.95 0.38 2.79 8.01 -1.26 0.27 118.70 133.89 3ksa s GLU 301 Ca 0.09 -0.34 0.08 0.00 0.01 0.00 0.00 54.97 54.81 3ksa s GLU 301 Cb -0.21 -3.21 -0.01 0.00 -4.31 0.00 0.00 34.13 26.39 3ksa s GLU 301 CO -0.06 0.30 0.41 -0.51 0.01 0.00 0.00 175.26 175.41 3ksa s LEU 302 N 0.30 3.59 0.00 1.80 1.43 -1.26 -4.26 118.68 120.28 3ksa s LEU 302 Ca 0.04 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 3ksa s LEU 302 Cb -0.12 -2.34 0.00 0.00 0.03 0.00 0.00 46.19 43.76 3ksa s LEU 302 CO 0.00 -0.56 0.00 2.29 0.23 0.00 0.00 176.35 178.31 3ksa n LYS 303 N -1.58 0.00 0.00 1.70 -0.00 -1.23 -4.91 118.16 112.14 3ksa n LYS 303 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 3ksa n LYS 303 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.63 3ksa n LYS 303 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 3ksa n LYS 304 N 0.00 0.00 -1.55 -1.58 -0.00 -1.26 -4.81 118.16 108.96 3ksa n LYS 304 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.12 3ksa n LYS 304 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 35.03 34.95 3ksa n LYS 304 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 3ksa n ASP 305 N -1.40 1.55 -2.53 -5.58 5.68 -1.26 -4.78 116.55 108.22 3ksa n ASP 305 Ca 0.00 -1.17 -0.13 0.00 -0.50 0.00 0.00 54.79 52.99 3ksa n ASP 305 Cb 0.00 -1.52 -0.08 0.00 -1.14 0.00 0.00 41.12 38.38 3ksa n ASP 305 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ksa n ALA 306 N 16.75 4.54 0.02 2.12 0.00 -1.26 -4.52 120.51 138.16 3ksa n ALA 306 Ca 0.48 -1.47 0.00 0.00 0.00 0.00 0.00 53.44 52.45 3ksa n ALA 306 Cb 0.41 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 17.32 3ksa n ALA 306 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3ksa n ASN 307 N 3.18 0.06 -0.27 0.00 0.23 -1.26 -4.47 115.26 112.73 3ksa n ASN 307 Ca 0.34 -0.10 0.08 0.00 -0.53 0.00 0.00 54.58 54.37 3ksa n ASN 307 Cb 0.42 -0.01 0.21 0.00 -2.08 0.00 0.00 39.78 38.32 3ksa n ASN 307 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 3ksa h THR 308 N 1.04 0.33 -0.62 5.53 1.35 -1.99 0.00 112.91 118.55 3ksa h THR 308 Ca 0.00 -0.05 0.03 0.00 -0.55 0.00 0.00 66.41 65.84 3ksa h THR 308 Cb 0.02 0.17 -0.04 0.00 -1.73 0.00 0.00 68.15 66.57 3ksa h THR 308 CO 0.00 0.03 0.39 -0.33 -0.25 0.00 0.00 175.52 175.35 3ksa h GLU 309 N 0.15 0.74 -0.69 4.72 4.39 -1.99 0.41 114.58 122.30 3ksa h GLU 309 Ca 0.47 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 60.10 3ksa h GLU 309 Cb 0.87 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.32 3ksa h GLU 309 CO -0.66 0.49 0.35 -0.07 -1.16 0.00 0.00 179.01 177.96 3ksa h LEU 310 N 0.76 0.89 -0.19 1.33 -0.00 -1.50 0.12 115.31 116.72 3ksa h LEU 310 Ca 0.25 -0.12 -0.02 0.00 -0.00 0.00 0.00 57.88 58.00 3ksa h LEU 310 Cb 0.02 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 40.44 3ksa h LEU 310 CO -0.10 0.75 0.05 1.62 -0.00 0.00 0.00 178.44 180.76 3ksa h VAL 311 N 0.96 1.19 0.11 1.22 3.04 -0.01 0.32 116.25 123.08 3ksa h VAL 311 Ca 0.24 -0.61 -0.01 0.00 -1.01 0.00 0.00 66.70 65.31 3ksa h VAL 311 Cb 0.08 1.25 0.00 0.00 -2.01 0.00 0.00 31.29 30.62 3ksa h VAL 311 CO -0.03 0.19 -0.05 0.25 -1.01 0.00 0.00 177.57 176.92 3ksa h LEU 312 N 0.12 -0.12 -1.29 3.16 6.46 -0.24 0.22 115.31 123.62 3ksa h LEU 312 Ca 0.06 -0.12 0.07 0.00 -0.12 0.00 0.00 57.88 57.77 3ksa h LEU 312 Cb 0.25 0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 40.16 3ksa h LEU 312 CO -0.00 0.05 0.53 0.78 -0.62 0.00 0.00 178.44 179.17 3ksa h ASN 313 N -0.29 0.75 0.25 1.25 2.35 -0.95 -0.74 115.58 118.20 3ksa h ASN 313 Ca -0.01 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 3ksa h ASN 313 Cb 0.24 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.46 3ksa h ASN 313 CO 0.02 0.47 -0.12 0.22 -1.65 0.00 0.00 177.43 176.38 3ksa h TYR 314 N 0.84 -0.31 -0.78 1.19 5.03 -0.74 -2.93 116.97 119.27 3ksa h TYR 314 Ca 0.35 -0.01 0.17 0.00 2.58 0.00 0.00 58.73 61.82 3ksa h TYR 314 Cb 0.28 0.10 -0.11 0.00 1.55 0.00 0.00 36.73 38.56 3ksa h TYR 314 CO -0.00 -0.01 0.26 -0.07 -1.32 0.00 0.00 178.16 177.02 3ksa h LEU 315 N -0.63 0.15 -0.08 2.82 3.38 -0.24 0.22 115.31 120.92 3ksa h LEU 315 Ca -0.03 0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.11 3ksa h LEU 315 Cb 0.45 0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 3ksa h LEU 315 CO 0.06 0.00 -0.21 -0.26 0.09 0.00 0.00 178.44 178.12 3ksa h PHE 316 N 0.34 -0.55 0.60 1.13 0.05 -1.16 0.38 116.94 117.74 3ksa h PHE 316 Ca 0.45 0.02 -0.03 0.00 3.82 0.00 0.00 57.97 62.23 3ksa h PHE 316 Cb 0.77 0.25 0.01 0.00 2.00 0.00 0.00 35.95 38.98 3ksa h PHE 316 CO -0.21 -0.29 -0.29 0.87 -0.18 0.00 0.00 178.31 178.21 3ksa h LYS 317 N -0.29 -0.78 0.00 1.51 1.57 -0.82 -3.33 116.57 114.42 3ksa h LYS 317 Ca 0.08 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3ksa h LYS 317 Cb 0.41 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3ksa h LYS 317 CO -0.24 -0.52 0.00 0.10 -0.57 0.00 0.00 179.45 178.21 3ksa h TYR 318 N -0.88 0.00 -4.96 -1.35 -0.00 -0.66 -3.46 116.97 105.66 3ksa h TYR 318 Ca -0.08 0.00 -0.58 0.00 -0.00 0.00 0.00 58.73 58.07 3ksa h TYR 318 Cb 0.62 0.00 -0.13 0.00 -0.00 0.00 0.00 36.73 37.23 3ksa h TYR 318 CO 0.07 0.00 -0.47 0.25 -0.00 0.00 0.00 178.16 178.01 3ksa n THR 319 N -2.62 0.00 0.13 -0.90 -2.24 0.12 -5.04 114.28 103.73 3ksa n THR 319 Ca 0.02 -2.41 -0.02 0.00 -2.27 0.00 0.00 64.05 59.37 3ksa n THR 319 Cb 0.28 0.80 0.14 0.00 -2.10 0.00 0.00 70.33 69.45 3ksa n THR 319 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3ksa n ASP 320 N -1.48 3.16 0.18 3.42 5.68 -1.26 -3.65 116.55 122.60 3ksa n ASP 320 Ca -0.08 -2.51 0.03 0.00 -0.50 0.00 0.00 54.79 51.73 3ksa n ASP 320 Cb 0.62 -0.61 0.35 0.00 -1.14 0.00 0.00 41.12 40.35 3ksa n ASP 320 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 3ksa h LEU 321 N 1.47 0.00 -7.79 -2.12 3.38 -1.82 -3.41 115.31 105.03 3ksa h LEU 321 Ca 0.10 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.61 3ksa h LEU 321 Cb 1.39 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 41.79 3ksa h LEU 321 CO 0.31 0.40 -0.79 -1.10 0.09 0.00 0.00 178.44 177.35 3ksa s GLN 322 N -3.97 1.19 0.38 1.13 -0.21 -1.24 -1.04 119.66 115.92 3ksa s GLN 322 Ca -0.02 -0.21 0.05 0.00 0.02 0.00 0.00 55.36 55.21 3ksa s GLN 322 Cb 0.13 -1.15 -0.02 0.00 1.00 0.00 0.00 33.01 32.97 3ksa s GLN 322 CO 0.71 -0.09 0.19 0.96 -2.12 0.00 0.00 175.29 174.94 3ksa s ILE 323 N 1.05 0.32 0.05 1.08 -4.36 -0.82 -4.82 121.20 113.70 3ksa s ILE 323 Ca -0.08 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.37 3ksa s ILE 323 Cb -0.14 -2.38 -0.03 0.00 1.25 0.00 0.00 42.46 41.15 3ksa s ILE 323 CO -0.00 0.00 -0.14 0.20 0.24 0.00 0.00 174.94 175.24 3ksa s ASN 324 N -3.53 4.12 -0.08 4.36 0.01 -1.26 -1.08 114.94 117.49 3ksa s ASN 324 Ca 0.30 -0.36 -0.01 0.00 -0.71 0.00 0.00 52.86 52.08 3ksa s ASN 324 Cb 0.02 -0.77 -0.03 0.00 0.41 0.00 0.00 41.25 40.88 3ksa s ASN 324 CO 0.20 0.24 -0.03 -0.47 -1.51 0.00 0.00 177.10 175.53 3ksa s TYR 325 N -1.01 3.07 -0.03 2.20 6.14 -0.37 -4.93 117.35 122.42 3ksa s TYR 325 Ca 0.17 0.10 0.03 0.00 0.64 0.00 0.00 57.07 58.01 3ksa s TYR 325 Cb -0.11 -1.77 -0.03 0.00 0.42 0.00 0.00 41.96 40.47 3ksa s TYR 325 CO 0.08 0.39 -0.09 -0.80 0.64 0.00 0.00 175.55 175.76 3ksa s ASN 326 N -0.78 4.44 -0.23 4.32 0.01 -1.26 -1.26 114.94 120.19 3ksa s ASN 326 Ca 0.12 -0.14 -0.09 0.00 -0.71 0.00 0.00 52.86 52.04 3ksa s ASN 326 Cb -0.11 -1.02 -0.04 0.00 0.41 0.00 0.00 41.25 40.48 3ksa s ASN 326 CO 0.02 0.32 0.12 -0.36 -1.51 0.00 0.00 177.10 175.69 3ksa s PHE 327 N -0.88 3.24 -0.39 2.20 2.99 0.85 -4.79 117.98 121.19 3ksa s PHE 327 Ca 0.14 0.04 0.03 0.00 0.00 0.00 0.00 56.93 57.14 3ksa s PHE 327 Cb -0.11 -2.22 0.16 0.00 0.00 0.00 0.00 43.02 40.85 3ksa s PHE 327 CO 0.04 -0.02 0.30 1.21 -0.00 0.00 0.00 175.22 176.75 3ksa s ASN 328 N 1.04 1.99 -0.49 1.36 3.04 -0.58 -2.57 114.94 118.74 3ksa s ASN 328 Ca 0.06 -2.77 -0.19 0.00 0.04 0.00 0.00 52.86 49.99 3ksa s ASN 328 Cb -0.14 -0.44 0.05 0.00 -1.54 0.00 0.00 41.25 39.18 3ksa s ASN 328 CO 0.04 -0.22 0.63 -0.04 -3.04 0.00 0.00 177.10 174.47 3ksa s MET 329 N 0.39 3.15 -0.08 0.43 -1.94 0.24 -1.07 119.30 120.42 3ksa s MET 329 Ca 0.28 -0.77 -0.01 0.00 -1.71 0.00 0.00 55.69 53.48 3ksa s MET 329 Cb -0.06 -4.06 0.03 0.00 2.01 0.00 0.00 34.83 32.75 3ksa s MET 329 CO -0.13 -1.17 -0.03 0.08 -0.01 0.00 0.00 175.02 173.77 3ksa s VAL 330 N 2.68 0.59 0.33 -6.03 1.01 -1.26 -0.60 120.40 117.11 3ksa s VAL 330 Ca 0.17 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.15 3ksa s VAL 330 Cb -0.18 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 3ksa s VAL 330 CO 0.13 0.29 0.13 0.00 0.00 0.00 0.00 175.10 175.65 3ksa s ALA 331 N 1.76 2.22 -0.37 5.51 0.00 -0.41 -4.66 121.76 125.81 3ksa s ALA 331 Ca 0.03 -1.70 -0.17 0.00 0.00 0.00 0.00 51.96 50.12 3ksa s ALA 331 Cb -0.13 0.96 0.00 0.00 0.00 0.00 0.00 23.12 23.96 3ksa s ALA 331 CO -0.05 -0.43 0.46 0.42 0.00 0.00 0.00 175.76 176.16 3ksa s ILE 332 N -3.48 5.06 -0.03 0.00 -1.09 0.31 -1.08 121.20 120.89 3ksa s ILE 332 Ca 0.33 0.08 0.07 0.00 -2.23 0.00 0.00 60.65 58.91 3ksa s ILE 332 Cb 0.05 -3.96 -0.02 0.00 -1.58 0.00 0.00 42.46 36.96 3ksa s ILE 332 CO 0.16 -0.25 -0.25 -1.81 -1.23 0.00 0.00 174.94 171.56 3ksa s ASP 333 N 1.78 2.92 -1.45 3.58 -0.00 -0.19 -1.40 116.67 121.92 3ksa s ASP 333 Ca 0.15 -0.46 -0.10 0.00 -0.00 0.00 0.00 52.55 52.14 3ksa s ASP 333 Cb -0.16 -0.51 0.05 0.00 -0.00 0.00 0.00 42.92 42.31 3ksa s ASP 333 CO 0.13 0.28 0.97 -3.20 -0.00 0.00 0.00 175.17 173.35 3ksa n ASN 334 N 2.66 -4.31 -0.34 0.27 4.05 -1.26 -0.88 115.26 115.46 3ksa n ASN 334 Ca -0.16 -0.74 -0.04 0.00 0.45 0.00 0.00 54.58 54.08 3ksa n ASN 334 Cb 0.52 -4.15 -0.02 0.00 1.23 0.00 0.00 39.78 37.36 3ksa n ASN 334 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 3ksa n PHE 335 N -4.65 0.00 -4.03 1.20 3.01 -1.26 -4.97 117.46 106.76 3ksa n PHE 335 Ca -0.04 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.34 3ksa n PHE 335 Cb 0.56 -1.77 -0.11 0.00 -0.01 0.00 0.00 39.48 38.15 3ksa n PHE 335 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 3ksa s THR 336 N -1.67 0.19 -0.10 4.37 -1.32 -0.06 -4.90 115.64 112.15 3ksa s THR 336 Ca 0.00 -1.29 -0.29 0.00 -1.21 0.00 0.00 61.69 58.90 3ksa s THR 336 Cb 0.00 -0.79 -0.05 0.00 -1.51 0.00 0.00 72.50 70.15 3ksa s THR 336 CO 0.00 -0.69 1.66 -2.84 -2.21 0.00 0.00 174.62 170.53 3ksa s PRO 337 N -2.46 4.07 0.02 7.08 0.02 -1.26 -1.02 135.00 141.44 3ksa s PRO 337 Ca -0.06 2.06 0.08 0.00 0.02 0.00 0.00 61.00 63.10 3ksa s PRO 337 Cb -0.03 -4.00 -0.02 0.00 0.02 0.00 0.00 34.50 30.47 3ksa s PRO 337 CO -0.04 -0.98 -0.23 1.03 -0.33 0.00 0.00 177.00 176.45 3ksa s ARG 338 N 4.23 1.67 -0.28 5.54 0.52 -0.24 -4.95 118.95 125.44 3ksa s ARG 338 Ca 0.73 -0.92 -0.14 0.00 -0.52 0.00 0.00 55.73 54.88 3ksa s ARG 338 Cb -0.31 -1.72 -0.04 0.00 0.52 0.00 0.00 34.95 33.40 3ksa s ARG 338 CO 0.29 0.46 0.32 -1.14 0.02 0.00 0.00 175.30 175.25 3ksa s GLN 339 N -0.92 3.93 0.09 3.54 0.74 -1.26 -1.29 119.66 124.48 3ksa s GLN 339 Ca 0.09 -0.13 0.05 0.00 0.05 0.00 0.00 55.36 55.43 3ksa s GLN 339 Cb -0.09 -3.68 -0.03 0.00 1.10 0.00 0.00 33.01 30.31 3ksa s GLN 339 CO 0.01 -0.29 -0.14 0.14 -0.55 0.00 0.00 175.29 174.46 3ksa s VAL 340 N 1.98 1.19 0.00 1.34 -7.23 0.23 -4.89 120.40 113.01 3ksa s VAL 340 Ca 0.12 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 58.86 3ksa s VAL 340 Cb -0.16 -1.22 0.00 0.00 0.56 0.00 0.00 36.38 35.56 3ksa s VAL 340 CO 0.10 -0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.23 3ksa n GLY 341 N 1.05 0.58 0.23 2.32 0.00 -1.26 -4.31 105.19 103.80 3ksa n GLY 341 Ca -0.19 -1.88 -0.13 0.00 0.00 0.00 0.00 46.02 43.82 3ksa n GLY 341 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3ksa h ILE 342 N -0.22 1.29 -0.30 -0.61 2.04 -1.20 -3.01 117.51 115.50 3ksa h ILE 342 Ca 0.00 -1.39 0.03 0.00 1.00 0.00 0.00 64.86 64.50 3ksa h ILE 342 Cb 0.00 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 3ksa h ILE 342 CO 0.00 0.45 0.09 0.58 0.00 0.00 0.00 178.15 179.28 3ksa h VAL 343 N 0.53 0.90 -0.54 1.67 2.07 -1.94 0.13 116.25 119.07 3ksa h VAL 343 Ca 0.07 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 3ksa h VAL 343 Cb 0.80 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 3ksa h VAL 343 CO 0.06 0.04 0.27 -0.65 0.02 0.00 0.00 177.57 177.31 3ksa h PRO 344 N 0.22 0.78 0.76 1.57 0.11 -1.94 -0.02 132.00 133.47 3ksa h PRO 344 Ca 0.13 -0.11 -0.04 0.00 0.11 0.00 0.00 66.00 66.10 3ksa h PRO 344 Cb 0.11 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 31.09 3ksa h PRO 344 CO -0.15 0.64 -0.36 0.82 -0.21 0.00 0.00 178.00 178.74 3ksa h ILE 345 N 0.73 0.25 -0.20 4.15 2.04 -1.30 0.33 117.51 123.52 3ksa h ILE 345 Ca 0.19 -0.01 0.05 0.00 1.00 0.00 0.00 64.86 66.08 3ksa h ILE 345 Cb 0.11 0.26 -0.05 0.00 -0.74 0.00 0.00 36.82 36.40 3ksa h ILE 345 CO -0.02 0.00 -0.10 -0.07 0.00 0.00 0.00 178.15 177.96 3ksa h LEU 346 N -1.03 -0.34 0.24 1.44 3.38 -0.78 -0.57 115.31 117.65 3ksa h LEU 346 Ca -0.10 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3ksa h LEU 346 Cb 0.78 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3ksa h LEU 346 CO 0.17 -0.13 -0.22 -1.28 0.09 0.00 0.00 178.44 177.07 3ksa h SER 347 N -0.08 -0.58 -0.55 -0.43 0.87 -0.92 -0.63 113.55 111.22 3ksa h SER 347 Ca 0.11 0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.73 3ksa h SER 347 Cb 0.25 0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.38 3ksa h SER 347 CO -0.25 -0.33 0.37 0.77 -0.53 0.00 0.00 176.83 176.85 3ksa h SER 348 N -0.48 0.62 -0.06 6.23 4.64 -0.67 -0.18 113.55 123.64 3ksa h SER 348 Ca -0.01 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3ksa h SER 348 Cb 0.44 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3ksa h SER 348 CO -0.04 0.44 0.03 0.22 -0.87 0.00 0.00 176.83 176.61 3ksa h TYR 349 N 0.73 0.09 -0.12 4.77 3.20 -0.72 -2.09 116.97 122.82 3ksa h TYR 349 Ca 0.21 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.12 3ksa h TYR 349 Cb -0.06 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.13 3ksa h TYR 349 CO -0.00 0.19 -0.23 0.82 -1.64 0.00 0.00 178.16 177.30 3ksa h ILE 350 N -0.03 0.44 -0.03 1.81 2.04 0.06 -0.40 117.51 121.40 3ksa h ILE 350 Ca 0.02 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.89 3ksa h ILE 350 Cb 0.13 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 3ksa h ILE 350 CO -0.00 0.00 0.03 0.00 0.00 0.00 0.00 178.15 178.17 3ksa h ALA 351 N 0.67 1.97 0.29 1.87 0.00 -1.06 -1.37 119.26 121.63 3ksa h ALA 351 Ca 0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3ksa h ALA 351 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3ksa h ALA 351 CO -0.29 -0.04 -0.14 1.25 0.00 0.00 0.00 179.25 180.03 3ksa h HIS 352 N 0.00 -0.36 -0.80 0.00 -0.00 -0.57 -2.66 115.15 110.76 3ksa h HIS 352 Ca 0.02 -0.01 0.21 0.00 -0.00 0.00 0.00 60.37 60.59 3ksa h HIS 352 Cb 0.07 0.12 -0.04 0.00 -0.00 0.00 0.00 27.41 27.56 3ksa h HIS 352 CO 0.00 -0.03 0.56 0.00 -0.00 0.00 0.00 177.93 178.46 3ksa h ARG 353 N -0.73 0.11 0.16 5.26 2.47 -0.14 0.00 114.38 121.51 3ksa h ARG 353 Ca -0.04 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.67 3ksa h ARG 353 Cb 0.49 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 3ksa h ARG 353 CO 0.07 0.07 -0.08 -0.09 0.56 0.00 0.00 179.97 180.50 3ksa h ARG 354 N 0.11 -0.21 -0.75 0.04 2.43 -1.04 0.34 114.38 115.31 3ksa h ARG 354 Ca 0.39 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.67 3ksa h ARG 354 Cb 1.37 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 30.89 3ksa h ARG 354 CO -0.05 0.05 0.39 0.93 -1.51 0.00 0.00 179.97 179.79 3ksa h GLU 355 N -0.45 0.64 0.52 0.20 4.39 -0.88 -1.03 114.58 117.96 3ksa h GLU 355 Ca -0.02 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 3ksa h GLU 355 Cb 0.35 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 28.86 3ksa h GLU 355 CO 0.04 0.42 -0.25 0.28 -1.16 0.00 0.00 179.01 178.34 3ksa h VAL 356 N 0.66 0.49 -0.08 3.13 2.07 -0.70 0.42 116.25 122.24 3ksa h VAL 356 Ca 0.37 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.92 3ksa h VAL 356 Cb 0.39 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 3ksa h VAL 356 CO -0.27 0.00 -0.15 0.40 0.02 0.00 0.00 177.57 177.57 3ksa h ILE 357 N -0.70 0.60 -0.31 4.57 2.04 -0.67 0.16 117.51 123.20 3ksa h ILE 357 Ca -0.07 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.82 3ksa h ILE 357 Cb 0.54 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 3ksa h ILE 357 CO 0.12 0.00 0.11 -0.07 0.00 0.00 0.00 178.15 178.30 3ksa h LEU 358 N -0.21 0.12 -0.71 1.44 3.38 -1.10 -0.24 115.31 117.99 3ksa h LEU 358 Ca 0.08 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3ksa h LEU 358 Cb 0.32 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3ksa h LEU 358 CO -0.21 0.10 0.40 0.00 0.09 0.00 0.00 178.44 178.83 3ksa h ALA 359 N 1.20 0.91 0.50 1.53 0.00 -0.47 -0.82 119.26 122.10 3ksa h ALA 359 Ca 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3ksa h ALA 359 Cb 0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3ksa h ALA 359 CO -0.14 0.41 -0.39 -0.09 0.00 0.00 0.00 179.25 179.04 3ksa h ARG 360 N 0.97 -0.84 -0.81 0.00 2.43 -0.32 -2.18 114.38 113.63 3ksa h ARG 360 Ca 0.25 0.06 0.08 0.00 -0.81 0.00 0.00 59.98 59.56 3ksa h ARG 360 Cb 0.01 0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 29.69 3ksa h ARG 360 CO -0.04 -0.56 0.48 0.77 -1.51 0.00 0.00 179.97 179.10 3ksa h SER 361 N -0.87 0.71 -0.70 -3.80 0.02 -0.83 0.04 113.55 108.12 3ksa h SER 361 Ca -0.05 0.03 0.08 0.00 -0.84 0.00 0.00 61.79 61.01 3ksa h SER 361 Cb 0.74 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 63.11 3ksa h SER 361 CO 0.00 0.43 0.37 0.03 -1.14 0.00 0.00 176.83 176.53 3ksa h ARG 362 N 0.84 0.64 -0.38 3.45 3.08 -0.93 0.13 114.38 121.20 3ksa h ARG 362 Ca 0.37 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.35 3ksa h ARG 362 Cb 0.26 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3ksa h ARG 362 CO -0.21 0.42 0.11 0.35 -1.07 0.00 0.00 179.97 179.58 3ksa h PHE 363 N 0.66 0.62 -0.95 3.04 3.57 -0.56 -2.55 116.94 120.76 3ksa h PHE 363 Ca 0.33 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 3ksa h PHE 363 Cb 0.29 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.80 3ksa h PHE 363 CO -0.09 0.59 0.60 -0.44 -2.23 0.00 0.00 178.31 176.74 3ksa h ASP 364 N 0.47 1.13 0.22 0.41 3.32 -0.22 -2.61 116.42 119.14 3ksa h ASP 364 Ca 0.12 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3ksa h ASP 364 Cb 0.27 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3ksa h ASP 364 CO -0.00 0.85 -0.11 0.50 -1.72 0.00 0.00 179.24 178.76 3ksa h LYS 365 N 1.31 -0.29 -0.37 3.56 3.64 -0.70 -0.21 116.57 123.50 3ksa h LYS 365 Ca 0.34 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.82 3ksa h LYS 365 Cb -0.09 0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 31.72 3ksa h LYS 365 CO -0.07 -0.08 -0.11 0.93 -2.27 0.00 0.00 179.45 177.85 3ksa h GLU 366 N -0.45 -0.02 -0.44 1.90 5.08 -1.36 0.13 114.58 119.42 3ksa h GLU 366 Ca -0.03 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 3ksa h GLU 366 Cb 0.34 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 3ksa h GLU 366 CO 0.05 -0.01 0.17 1.57 -1.00 0.00 0.00 179.01 179.79 3ksa h LYS 367 N -0.02 0.34 0.23 2.33 2.10 -1.33 -0.27 116.57 119.95 3ksa h LYS 367 Ca 0.18 -0.02 0.01 0.00 -2.00 0.00 0.00 60.65 58.82 3ksa h LYS 367 Cb 0.30 -0.08 -0.03 0.00 -0.90 0.00 0.00 32.23 31.52 3ksa h LYS 367 CO -0.40 0.23 -0.36 0.00 -2.00 0.00 0.00 179.45 176.92 3ksa h ALA 368 N 1.28 -0.69 -0.90 0.07 0.00 0.12 -2.58 119.26 116.57 3ksa h ALA 368 Ca 0.21 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.16 3ksa h ALA 368 Cb 0.18 0.55 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 3ksa h ALA 368 CO -0.20 -0.94 0.58 0.93 0.00 0.00 0.00 179.25 179.62 3ksa h GLU 369 N -0.66 0.72 0.70 0.00 5.08 -0.19 -0.05 114.58 120.19 3ksa h GLU 369 Ca 0.00 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 3ksa h GLU 369 Cb 0.64 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.73 3ksa h GLU 369 CO -0.14 0.48 -0.34 0.87 -1.00 0.00 0.00 179.01 178.88 3ksa h LYS 370 N 0.75 -0.91 -0.73 2.33 1.57 -0.73 -0.43 116.57 118.42 3ksa h LYS 370 Ca 0.44 0.06 0.04 0.00 -1.87 0.00 0.00 60.65 59.33 3ksa h LYS 370 Cb 0.64 0.21 -0.04 0.00 0.08 0.00 0.00 32.23 33.12 3ksa h LYS 370 CO -0.21 -0.58 0.48 -0.09 -0.57 0.00 0.00 179.45 178.49 3ksa h ARG 371 N -1.16 0.83 -0.04 3.15 9.65 -1.21 -1.00 114.38 124.60 3ksa h ARG 371 Ca -0.10 -0.05 0.02 0.00 -1.10 0.00 0.00 59.98 58.75 3ksa h ARG 371 Cb 0.75 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 29.12 3ksa h ARG 371 CO 0.16 0.55 -0.05 1.25 2.80 0.00 0.00 179.97 184.68 3ksa h LEU 372 N 0.86 -0.15 -0.90 3.80 7.12 -0.93 0.63 115.31 125.75 3ksa h LEU 372 Ca 0.30 0.03 0.06 0.00 0.13 0.00 0.00 57.88 58.40 3ksa h LEU 372 Cb 0.11 0.07 -0.06 0.00 -0.53 0.00 0.00 40.66 40.25 3ksa h LEU 372 CO -0.09 -0.07 0.56 -0.74 -0.13 0.00 0.00 178.44 177.97 3ksa h HIS 373 N -0.06 1.04 -0.30 1.25 2.76 -0.05 0.28 115.15 120.06 3ksa h HIS 373 Ca 0.04 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.20 3ksa h HIS 373 Cb 0.12 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 28.73 3ksa h HIS 373 CO -0.14 0.53 0.06 0.82 -1.30 0.00 0.00 177.93 177.89 3ksa h ILE 374 N 1.02 1.23 -0.53 6.26 2.04 -0.43 -2.17 117.51 124.92 3ksa h ILE 374 Ca 0.39 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 3ksa h ILE 374 Cb 0.18 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 3ksa h ILE 374 CO -0.18 0.25 0.29 0.58 0.00 0.00 0.00 178.15 179.09 3ksa h VAL 375 N 0.31 1.18 -0.96 1.67 2.07 0.67 -0.19 116.25 121.01 3ksa h VAL 375 Ca 0.09 -0.48 0.17 0.00 0.82 0.00 0.00 66.70 67.31 3ksa h VAL 375 Cb 0.33 0.52 -0.09 0.00 -1.52 0.00 0.00 31.29 30.53 3ksa h VAL 375 CO 0.00 0.20 0.61 -0.33 0.02 0.00 0.00 177.57 178.07 3ksa h GLU 376 N 0.72 0.68 0.48 1.57 3.07 -0.41 -1.65 114.58 119.04 3ksa h GLU 376 Ca 0.19 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.98 3ksa h GLU 376 Cb 0.06 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 27.82 3ksa h GLU 376 CO -0.03 0.45 -0.23 0.78 -1.40 0.00 0.00 179.01 178.58 3ksa h GLY 377 N 0.70 -0.67 0.64 -3.84 0.00 -0.43 -2.97 103.07 96.50 3ksa h GLY 377 Ca 0.51 0.25 0.11 0.00 0.00 0.00 0.00 47.33 48.20 3ksa h GLY 377 CO -0.28 -0.24 0.59 1.41 0.00 0.00 0.00 176.54 178.02 3ksa h LEU 378 N -0.99 0.83 -0.64 3.11 3.38 -0.88 -0.90 115.31 119.22 3ksa h LEU 378 Ca -0.07 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.02 3ksa h LEU 378 Cb 0.59 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.13 3ksa h LEU 378 CO 0.11 0.47 0.29 0.40 0.09 0.00 0.00 178.44 179.80 3ksa h ILE 379 N 0.91 0.83 -0.04 1.22 2.04 -1.32 0.45 117.51 121.61 3ksa h ILE 379 Ca 0.44 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 66.13 3ksa h ILE 379 Cb 0.44 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3ksa h ILE 379 CO -0.20 0.09 0.03 -0.09 0.00 0.00 0.00 178.15 177.98 3ksa h ARG 380 N 0.51 0.06 -0.57 2.37 2.43 -1.03 -3.21 114.38 114.94 3ksa h ARG 380 Ca 0.31 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.52 3ksa h ARG 380 Cb 0.33 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 3ksa h ARG 380 CO -0.27 0.04 0.32 0.28 -1.51 0.00 0.00 179.97 178.83 3ksa h VAL 381 N 0.06 1.00 -0.61 0.20 2.07 -0.42 -2.24 116.25 116.31 3ksa h VAL 381 Ca 0.02 -0.21 0.18 0.00 0.82 0.00 0.00 66.70 67.50 3ksa h VAL 381 Cb -0.00 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 3ksa h VAL 381 CO -0.00 0.11 0.55 0.40 0.02 0.00 0.00 177.57 178.64 3ksa h ILE 382 N 0.61 0.43 -0.00 4.57 5.03 -0.95 0.49 117.51 127.69 3ksa h ILE 382 Ca 0.24 0.00 -0.16 0.00 -0.12 0.00 0.00 64.86 64.83 3ksa h ILE 382 Cb 0.11 0.59 -0.02 0.00 -3.03 0.00 0.00 36.82 34.46 3ksa h ILE 382 CO -0.14 0.00 -0.74 0.77 -0.68 0.00 0.00 178.15 177.36 3ksa h SER 383 N 0.00 0.04 -0.48 1.72 4.64 -1.51 -3.31 113.55 114.64 3ksa h SER 383 Ca 0.29 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3ksa h SER 383 Cb 1.38 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 3ksa h SER 383 CO -0.00 0.76 0.00 -0.38 -0.87 0.00 0.00 176.83 176.34 3ksa n ILE 384 N -3.68 0.92 -0.33 0.95 5.41 0.15 -4.81 119.36 117.98 3ksa n ILE 384 Ca -0.01 -0.96 0.04 0.00 1.00 0.00 0.00 62.75 62.82 3ksa n ILE 384 Cb 0.72 0.56 0.12 0.00 -0.71 0.00 0.00 39.64 40.33 3ksa n ILE 384 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3ksa h LEU 385 N 3.02 -0.91 0.10 1.39 3.38 -1.10 -0.14 115.31 121.05 3ksa h LEU 385 Ca 0.00 0.28 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 3ksa h LEU 385 Cb 0.83 0.59 -0.01 0.00 0.09 0.00 0.00 40.66 42.16 3ksa h LEU 385 CO 0.00 -0.31 -0.16 0.44 0.09 0.00 0.00 178.44 178.51 3ksa h ASP 386 N -0.00 -0.45 -0.73 -0.43 5.19 -1.88 -1.19 116.42 116.92 3ksa h ASP 386 Ca 0.44 0.04 0.11 0.00 -0.62 0.00 0.00 57.03 57.00 3ksa h ASP 386 Cb 0.67 0.16 -0.05 0.00 0.18 0.00 0.00 39.33 40.29 3ksa h ASP 386 CO -0.96 -0.19 0.48 1.05 -3.12 0.00 0.00 179.24 176.51 3ksa h GLU 387 N -0.27 0.56 0.49 3.56 4.11 -1.67 -1.82 114.58 119.54 3ksa h GLU 387 Ca -0.01 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.36 3ksa h GLU 387 Cb 0.25 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3ksa h GLU 387 CO -0.05 0.37 -0.24 0.28 0.07 0.00 0.00 179.01 179.44 3ksa h VAL 388 N 0.58 0.51 -0.36 -1.06 2.07 -0.72 -0.78 116.25 116.48 3ksa h VAL 388 Ca 0.34 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.86 3ksa h VAL 388 Cb 0.56 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 3ksa h VAL 388 CO -0.12 0.01 0.08 0.40 0.02 0.00 0.00 177.57 177.96 3ksa h ILE 389 N -0.70 0.84 -0.78 4.57 2.04 -0.74 -1.34 117.51 121.39 3ksa h ILE 389 Ca -0.07 -0.07 0.14 0.00 1.00 0.00 0.00 64.86 65.87 3ksa h ILE 389 Cb 0.53 0.61 -0.10 0.00 -0.74 0.00 0.00 36.82 37.12 3ksa h ILE 389 CO 0.11 0.04 0.33 0.00 0.00 0.00 0.00 178.15 178.63 3ksa h ALA 390 N 1.26 1.12 0.03 1.87 0.00 -1.19 0.11 119.26 122.46 3ksa h ALA 390 Ca 0.17 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.20 3ksa h ALA 390 Cb 0.18 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3ksa h ALA 390 CO -0.21 -0.19 -0.09 1.25 0.00 0.00 0.00 179.25 180.01 3ksa h LEU 391 N 0.48 -0.25 -0.96 0.00 6.46 -0.39 -1.92 115.31 118.74 3ksa h LEU 391 Ca 0.43 0.04 0.08 0.00 -0.12 0.00 0.00 57.88 58.31 3ksa h LEU 391 Cb 0.64 0.10 -0.07 0.00 -0.73 0.00 0.00 40.66 40.61 3ksa h LEU 391 CO -0.40 -0.13 0.60 0.40 -0.62 0.00 0.00 178.44 178.29 3ksa h ILE 392 N -0.17 1.01 -0.17 4.05 1.08 0.25 -1.24 117.51 122.32 3ksa h ILE 392 Ca 0.03 -0.36 -0.02 0.00 -0.39 0.00 0.00 64.86 64.12 3ksa h ILE 392 Cb 0.20 -0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 33.81 3ksa h ILE 392 CO -0.07 0.19 0.03 0.03 -0.69 0.00 0.00 178.15 177.64 3ksa h ARG 393 N 1.05 0.29 0.00 2.37 2.47 -1.08 -2.25 114.38 117.23 3ksa h ARG 393 Ca 0.44 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 59.08 3ksa h ARG 393 Cb 0.27 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 3ksa h ARG 393 CO -0.21 0.45 0.00 0.00 0.56 0.00 0.00 179.97 180.77 3ksa n ALA 394 N -2.28 1.81 -2.84 0.04 0.00 -0.53 -4.76 120.51 111.95 3ksa n ALA 394 Ca -0.05 -0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.12 3ksa n ALA 394 Cb 0.18 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.57 3ksa n ALA 394 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3ksa s SER 395 N -1.72 5.75 -0.13 0.00 0.01 -0.83 -5.04 113.70 111.73 3ksa s SER 395 Ca 0.01 -0.03 -0.10 0.00 1.31 0.00 0.00 55.95 57.14 3ksa s SER 395 Cb 0.01 -1.58 -0.07 0.00 0.21 0.00 0.00 66.02 64.59 3ksa s SER 395 CO 0.01 0.08 0.07 1.05 0.41 0.00 0.00 173.24 174.85 3ksa h GLU 396 N 2.46 0.00 -6.10 12.44 9.09 -1.86 -3.47 114.58 127.14 3ksa h GLU 396 Ca -0.48 0.00 -0.59 0.00 0.05 0.00 0.00 59.36 58.34 3ksa h GLU 396 Cb 1.19 0.00 -0.12 0.00 -1.65 0.00 0.00 28.75 28.17 3ksa h GLU 396 CO 0.65 0.27 -0.68 0.54 0.05 0.00 0.00 179.01 179.84 3ksa s ASN 397 N -5.88 3.97 0.15 3.06 2.20 -1.26 -4.96 114.94 112.21 3ksa s ASN 397 Ca -0.12 -0.98 -0.19 0.00 -0.94 0.00 0.00 52.86 50.63 3ksa s ASN 397 Cb 0.01 -0.48 0.05 0.00 -2.00 0.00 0.00 41.25 38.83 3ksa s ASN 397 CO 0.25 -0.10 1.67 0.50 -2.94 0.00 0.00 177.10 176.48 3ksa h LYS 398 N 2.01 -0.06 -0.18 3.55 3.64 -1.98 0.82 116.57 124.37 3ksa h LYS 398 Ca -0.42 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.00 3ksa h LYS 398 Cb 1.25 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.05 3ksa h LYS 398 CO 0.64 -0.04 -0.03 0.00 -2.27 0.00 0.00 179.45 177.75 3ksa h ALA 399 N 1.21 0.13 -0.88 5.00 0.00 -1.99 -0.36 119.26 122.37 3ksa h ALA 399 Ca 0.15 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.18 3ksa h ALA 399 Cb 0.29 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 3ksa h ALA 399 CO -0.35 -0.47 0.55 0.22 0.00 0.00 0.00 179.25 179.21 3ksa h ASP 400 N 0.02 0.89 -0.21 0.00 3.58 -1.78 -0.35 116.42 118.56 3ksa h ASP 400 Ca 0.09 0.01 0.06 0.00 0.42 0.00 0.00 57.03 57.60 3ksa h ASP 400 Cb 0.13 -0.18 -0.07 0.00 1.72 0.00 0.00 39.33 40.93 3ksa h ASP 400 CO -0.18 0.58 -0.33 0.00 -2.88 0.00 0.00 179.24 176.43 3ksa h ALA 401 N 1.40 -0.34 0.13 -0.78 0.00 0.15 -0.77 119.26 119.06 3ksa h ALA 401 Ca 0.37 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.34 3ksa h ALA 401 Cb 0.12 0.66 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3ksa h ALA 401 CO -0.16 -0.79 -0.26 0.87 0.00 0.00 0.00 179.25 178.92 3ksa h LYS 402 N -0.36 -0.45 -0.62 0.00 1.57 -0.30 -2.76 116.57 113.65 3ksa h LYS 402 Ca 0.12 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 59.05 3ksa h LYS 402 Cb 0.55 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.93 3ksa h LYS 402 CO -0.41 -0.30 0.42 0.93 -0.57 0.00 0.00 179.45 179.51 3ksa h GLU 403 N -0.47 0.33 -0.40 3.15 5.08 -0.69 -1.74 114.58 119.84 3ksa h GLU 403 Ca 0.03 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.24 3ksa h GLU 403 Cb 0.49 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 3ksa h GLU 403 CO -0.14 0.22 -0.24 -2.95 -1.00 0.00 0.00 179.01 174.90 3ksa h ASN 404 N 0.34 0.91 -0.43 1.42 7.08 -0.87 -2.23 115.58 121.81 3ksa h ASN 404 Ca 0.29 -0.42 -0.07 0.00 -3.08 0.00 0.00 56.30 53.02 3ksa h ASN 404 Cb 0.68 -0.25 -0.02 0.00 -2.08 0.00 0.00 38.32 36.65 3ksa h ASN 404 CO -0.08 1.14 0.00 -0.07 -2.08 0.00 0.00 177.43 176.34 3ksa h LEU 405 N 0.69 0.75 -0.28 6.14 4.07 -1.15 -0.58 115.31 124.96 3ksa h LEU 405 Ca 0.08 -0.31 0.03 0.00 0.08 0.00 0.00 57.88 57.76 3ksa h LEU 405 Cb 0.81 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 42.33 3ksa h LEU 405 CO 0.07 0.87 0.11 0.11 -1.08 0.00 0.00 178.44 178.52 3ksa h LYS 406 N 0.60 0.24 0.63 1.13 1.57 -1.46 -1.38 116.57 117.89 3ksa h LYS 406 Ca 0.12 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 3ksa h LYS 406 Cb 0.49 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.75 3ksa h LYS 406 CO 0.02 0.16 -0.30 -0.24 -0.57 0.00 0.00 179.45 178.52 3ksa h VAL 407 N 0.24 0.38 0.00 0.50 3.04 -1.28 -2.56 116.25 116.58 3ksa h VAL 407 Ca 0.12 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.77 3ksa h VAL 407 Cb 0.07 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 29.75 3ksa h VAL 407 CO -0.11 0.01 0.00 -1.54 -1.01 0.00 0.00 177.57 174.91 3ksa n SER 408 N -5.44 0.00 -1.09 3.17 3.41 -0.24 -4.05 113.62 109.38 3ksa n SER 408 Ca -0.13 0.72 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 3ksa n SER 408 Cb 0.35 -0.43 0.13 0.00 -0.26 0.00 0.00 64.21 64.00 3ksa n SER 408 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3ksa n TYR 409 N -1.79 0.82 -3.41 7.33 0.53 -0.53 -4.93 117.16 115.18 3ksa n TYR 409 Ca 0.00 -0.40 -0.12 0.00 -1.02 0.00 0.00 57.90 56.36 3ksa n TYR 409 Cb 0.00 -0.30 -0.01 0.00 -1.03 0.00 0.00 39.34 38.00 3ksa n TYR 409 CO 0.00 0.00 0.00 -0.40 -1.02 0.00 0.00 176.86 175.44 3ksa n ASP 410 N 0.16 -0.40 -4.85 7.72 5.68 -0.96 -4.92 116.55 118.98 3ksa n ASP 410 Ca 0.12 -0.40 -0.29 0.00 -0.50 0.00 0.00 54.79 53.72 3ksa n ASP 410 Cb 0.66 -0.48 0.09 0.00 -1.14 0.00 0.00 41.12 40.25 3ksa n ASP 410 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 3ksa s PHE 411 N -3.93 2.89 0.00 2.11 0.08 -1.23 -5.00 117.98 112.90 3ksa s PHE 411 Ca 0.07 0.93 0.00 0.00 0.12 0.00 0.00 56.93 58.05 3ksa s PHE 411 Cb -0.04 -3.29 0.00 0.00 -0.57 0.00 0.00 43.02 39.12 3ksa s PHE 411 CO 0.30 -1.80 0.00 0.25 -0.10 0.00 0.00 175.22 173.87 3ksa n THR 412 N -3.39 0.00 0.08 0.64 -2.24 -1.26 -4.50 114.28 103.61 3ksa n THR 412 Ca 0.07 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.80 3ksa n THR 412 Cb 0.59 -1.55 -0.02 0.00 -2.10 0.00 0.00 70.33 67.24 3ksa n THR 412 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3ksa h GLU 413 N 0.00 -0.29 -0.71 -0.78 4.57 -1.99 -2.61 114.58 112.78 3ksa h GLU 413 Ca 0.00 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 3ksa h GLU 413 Cb 0.00 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 3ksa h GLU 413 CO 0.00 -0.18 0.34 1.05 -1.18 0.00 0.00 179.01 179.04 3ksa h GLU 414 N -1.08 1.00 -0.58 1.92 9.09 -2.00 -1.83 114.58 121.12 3ksa h GLU 414 Ca -0.03 -0.14 0.07 0.00 0.05 0.00 0.00 59.36 59.31 3ksa h GLU 414 Cb 0.24 -0.19 -0.06 0.00 -1.65 0.00 0.00 28.75 27.10 3ksa h GLU 414 CO 0.05 0.77 0.26 1.96 0.05 0.00 0.00 179.01 182.11 3ksa h GLN 415 N 1.00 0.47 0.48 1.06 4.20 -1.94 -1.10 115.11 119.28 3ksa h GLN 415 Ca 0.24 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.91 3ksa h GLN 415 Cb 0.10 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.77 3ksa h GLN 415 CO -0.03 0.31 -0.28 0.00 -0.67 0.00 0.00 178.83 178.16 3ksa h ALA 416 N 1.35 -0.71 -0.63 3.87 0.00 -0.95 -0.72 119.26 121.46 3ksa h ALA 416 Ca 0.27 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.15 3ksa h ALA 416 Cb 0.25 0.34 -0.09 0.00 0.00 0.00 0.00 17.79 18.30 3ksa h ALA 416 CO -0.23 -0.91 0.18 1.05 0.00 0.00 0.00 179.25 179.33 3ksa h GLU 417 N -0.71 0.31 -0.45 0.00 9.09 -1.09 0.16 114.58 121.88 3ksa h GLU 417 Ca -0.06 -0.02 0.01 0.00 0.05 0.00 0.00 59.36 59.35 3ksa h GLU 417 Cb 0.58 -0.07 -0.02 0.00 -1.65 0.00 0.00 28.75 27.58 3ksa h GLU 417 CO 0.07 0.20 0.29 0.00 0.05 0.00 0.00 179.01 179.61 3ksa h ALA 418 N 1.48 0.57 0.07 1.06 0.00 -0.97 0.19 119.26 121.66 3ksa h ALA 418 Ca 0.33 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 3ksa h ALA 418 Cb 0.48 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3ksa h ALA 418 CO -0.39 -0.01 -0.03 0.82 0.00 0.00 0.00 179.25 179.64 3ksa h ILE 419 N 0.58 1.06 -0.66 0.00 2.04 -0.36 -2.73 117.51 117.45 3ksa h ILE 419 Ca 0.17 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.58 3ksa h ILE 419 Cb -0.04 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 3ksa h ILE 419 CO -0.05 0.11 0.43 0.58 0.00 0.00 0.00 178.15 179.23 3ksa h VAL 420 N -0.30 1.16 0.00 1.67 2.07 -0.42 -2.86 116.25 117.57 3ksa h VAL 420 Ca -0.01 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3ksa h VAL 420 Cb 0.26 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3ksa h VAL 420 CO 0.02 0.16 0.00 0.71 0.02 0.00 0.00 177.57 178.48 3ksa h THR 421 N 0.88 0.00 -1.05 2.57 1.35 -0.69 -3.46 112.91 112.51 3ksa h THR 421 Ca 0.24 -0.53 -0.76 0.00 -0.55 0.00 0.00 66.41 64.82 3ksa h THR 421 Cb -0.09 1.50 0.06 0.00 -1.73 0.00 0.00 68.15 67.89 3ksa h THR 421 CO -0.06 0.00 -0.05 0.18 -0.25 0.00 0.00 175.52 175.34 3ksa n LEU 422 N -2.43 -0.18 0.00 3.87 4.77 -1.03 -4.94 117.00 117.06 3ksa n LEU 422 Ca 0.05 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.18 3ksa n LEU 422 Cb 0.42 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 3ksa n LEU 422 CO 0.29 -2.10 0.00 0.00 -1.33 0.00 0.00 177.39 174.25 3ksa n GLN 423 N 1.43 0.05 -0.05 3.23 6.02 -1.26 -5.00 117.38 121.79 3ksa n GLN 423 Ca 0.19 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.97 3ksa n GLN 423 Cb 0.13 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.26 3ksa n GLN 423 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3ksa n LEU 424 N 0.00 2.48 0.15 1.08 4.77 -1.26 -3.83 117.00 120.39 3ksa n LEU 424 Ca 0.00 0.20 0.11 0.00 -0.03 0.00 0.00 56.01 56.29 3ksa n LEU 424 Cb 0.00 -1.03 0.54 0.00 -2.33 0.00 0.00 43.42 40.61 3ksa n LEU 424 CO 0.00 0.73 0.83 0.00 -1.33 0.00 0.00 177.39 177.61 3ksa n TYR 425 N -3.71 0.73 0.26 -1.77 4.11 -1.26 -0.65 117.16 114.87 3ksa n TYR 425 Ca -0.36 0.35 0.10 0.00 -0.00 0.00 0.00 57.90 57.99 3ksa n TYR 425 Cb 0.95 -1.06 0.71 0.00 -0.00 0.00 0.00 39.34 39.93 3ksa n TYR 425 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3ksa h ARG 426 N 0.00 0.00 0.00 -3.48 2.47 -1.95 0.15 114.38 111.57 3ksa h ARG 426 Ca 0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 3ksa h ARG 426 Cb 0.10 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.42 3ksa h ARG 426 CO 0.00 0.07 -0.05 -0.07 0.56 0.00 0.00 179.97 180.49 3ksa h LEU 427 N 0.00 0.00 -2.49 3.04 3.38 -1.10 -2.14 115.31 116.00 3ksa h LEU 427 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ksa h LEU 427 Cb 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3ksa h LEU 427 CO 0.01 0.05 -0.00 0.00 0.09 0.00 0.00 178.44 178.58 3ksa h THR 428 N 0.00 0.50 -3.11 0.22 1.03 -1.08 -3.28 112.91 107.19 3ksa h THR 428 Ca -0.00 -0.01 -0.69 0.00 -0.01 0.00 0.00 66.41 65.70 3ksa h THR 428 Cb 0.43 1.01 -0.36 0.00 -1.07 0.00 0.00 68.15 68.15 3ksa h THR 428 CO 0.01 0.00 -0.13 -3.20 -0.01 0.00 0.00 175.52 172.19 3ksa n ASN 429 N -3.80 4.21 -4.37 0.00 5.15 -0.81 -5.01 115.26 110.64 3ksa n ASN 429 Ca -0.03 -3.21 -0.44 0.00 -0.60 0.00 0.00 54.58 50.30 3ksa n ASN 429 Cb 0.08 -0.99 -0.07 0.00 -0.53 0.00 0.00 39.78 38.27 3ksa n ASN 429 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3ksa s THR 430 N -1.66 5.15 -0.47 -0.44 -1.32 -1.24 -4.96 115.64 110.70 3ksa s THR 430 Ca 0.29 -1.16 0.04 0.00 -1.21 0.00 0.00 61.69 59.65 3ksa s THR 430 Cb -0.03 -4.12 0.21 0.00 -1.51 0.00 0.00 72.50 67.05 3ksa s THR 430 CO -0.10 -0.62 0.85 -0.67 -2.21 0.00 0.00 174.62 171.87 3ksa n ASP 431 N 5.19 -2.91 0.24 8.08 4.64 -1.26 -5.02 116.55 125.51 3ksa n ASP 431 Ca -0.12 -2.57 0.10 0.00 -1.38 0.00 0.00 54.79 50.81 3ksa n ASP 431 Cb 0.43 1.53 0.34 0.00 -1.04 0.00 0.00 41.12 42.38 3ksa n ASP 431 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 3ksa h VAL 432 N 4.05 0.03 0.16 5.18 2.07 -1.94 -1.65 116.25 124.16 3ksa h VAL 432 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3ksa h VAL 432 Cb 1.11 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3ksa h VAL 432 CO 0.03 0.00 -0.12 0.58 0.02 0.00 0.00 177.57 178.08 3ksa h VAL 433 N 0.00 0.75 -0.14 2.57 2.07 -1.98 -1.58 116.25 117.94 3ksa h VAL 433 Ca 0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 3ksa h VAL 433 Cb 1.71 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 3ksa h VAL 433 CO -0.00 0.00 0.09 0.58 0.02 0.00 0.00 177.57 178.26 3ksa h VAL 434 N -0.28 1.03 -0.59 2.57 2.07 -1.74 -0.36 116.25 118.96 3ksa h VAL 434 Ca -0.01 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.47 3ksa h VAL 434 Cb 0.25 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 3ksa h VAL 434 CO 0.00 0.03 0.37 -0.07 0.02 0.00 0.00 177.57 177.92 3ksa h LEU 435 N 0.18 0.61 -1.38 2.57 3.38 -1.63 -1.63 115.31 117.42 3ksa h LEU 435 Ca 0.05 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.06 3ksa h LEU 435 Cb -0.02 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3ksa h LEU 435 CO -0.01 0.43 0.45 1.56 0.09 0.00 0.00 178.44 180.96 3ksa h GLN 436 N 0.73 0.78 0.11 1.13 1.08 -0.82 0.17 115.11 118.29 3ksa h GLN 436 Ca 0.23 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.39 3ksa h GLN 436 Cb -0.01 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.24 3ksa h GLN 436 CO -0.09 0.51 -0.12 0.93 -0.95 0.00 0.00 178.83 179.12 3ksa h GLU 437 N 0.80 -0.25 -0.89 1.46 5.08 -0.12 -0.99 114.58 119.67 3ksa h GLU 437 Ca 0.28 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 3ksa h GLU 437 Cb 0.10 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 3ksa h GLU 437 CO -0.08 -0.17 0.50 0.93 -1.00 0.00 0.00 179.01 179.19 3ksa h GLU 438 N -0.26 1.23 -0.57 2.33 5.08 -0.92 -2.18 114.58 119.29 3ksa h GLU 438 Ca 0.01 -0.14 0.06 0.00 -1.00 0.00 0.00 59.36 58.29 3ksa h GLU 438 Cb 0.25 -0.24 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 3ksa h GLU 438 CO -0.04 0.89 0.28 1.49 -1.00 0.00 0.00 179.01 180.63 3ksa h GLU 439 N 1.23 0.50 -0.12 2.33 4.81 -0.30 0.21 114.58 123.24 3ksa h GLU 439 Ca 0.31 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.54 3ksa h GLU 439 Cb 0.01 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 3ksa h GLU 439 CO -0.05 0.33 -0.07 0.00 -0.73 0.00 0.00 179.01 178.49 3ksa h ALA 440 N 1.33 0.03 -0.31 2.92 0.00 -0.94 -1.17 119.26 121.12 3ksa h ALA 440 Ca 0.27 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.29 3ksa h ALA 440 Cb 0.22 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 3ksa h ALA 440 CO -0.20 -0.52 -0.05 1.49 0.00 0.00 0.00 179.25 179.96 3ksa h GLU 441 N -0.07 0.03 0.32 0.00 4.81 -0.38 -0.17 114.58 119.12 3ksa h GLU 441 Ca 0.07 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 3ksa h GLU 441 Cb 0.17 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.55 3ksa h GLU 441 CO -0.17 0.02 -0.15 -0.07 -0.73 0.00 0.00 179.01 177.91 3ksa h LEU 442 N 0.03 -0.36 -0.66 1.64 3.38 -0.49 -1.08 115.31 117.76 3ksa h LEU 442 Ca 0.15 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.20 3ksa h LEU 442 Cb 0.22 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 3ksa h LEU 442 CO -0.30 -0.25 0.34 -0.09 0.09 0.00 0.00 178.44 178.23 3ksa h ARG 443 N -0.44 0.59 -0.51 1.13 2.43 -0.31 0.12 114.38 117.40 3ksa h ARG 443 Ca -0.04 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.10 3ksa h ARG 443 Cb 0.33 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 3ksa h ARG 443 CO 0.07 0.39 0.34 0.93 -1.51 0.00 0.00 179.97 180.19 3ksa h GLU 444 N 0.61 0.67 -0.22 0.20 5.08 -0.93 -1.61 114.58 118.38 3ksa h GLU 444 Ca 0.31 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3ksa h GLU 444 Cb 0.27 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3ksa h GLU 444 CO -0.22 0.44 0.15 1.57 -1.00 0.00 0.00 179.01 179.94 3ksa h LYS 445 N 0.69 0.30 -0.11 2.33 2.10 0.28 -1.08 116.57 121.08 3ksa h LYS 445 Ca 0.19 -0.02 0.03 0.00 -2.00 0.00 0.00 60.65 58.85 3ksa h LYS 445 Cb -0.07 -0.07 -0.03 0.00 -0.90 0.00 0.00 32.23 31.16 3ksa h LYS 445 CO -0.04 0.21 -0.07 0.82 -2.00 0.00 0.00 179.45 178.36 3ksa h ILE 446 N 0.30 0.79 -0.68 0.07 2.04 -0.68 0.45 117.51 119.79 3ksa h ILE 446 Ca 0.08 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.89 3ksa h ILE 446 Cb -0.02 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 3ksa h ILE 446 CO -0.02 0.00 0.23 0.00 0.00 0.00 0.00 178.15 178.37 3ksa h ALA 447 N 1.02 1.13 -0.04 1.87 0.00 -1.23 0.11 119.26 122.12 3ksa h ALA 447 Ca 0.07 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.80 3ksa h ALA 447 Cb 0.17 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3ksa h ALA 447 CO -0.15 0.61 -0.12 1.98 0.00 0.00 0.00 179.25 181.57 3ksa h MET 448 N 0.99 -0.18 -0.01 0.00 1.85 -0.68 -2.85 114.93 114.06 3ksa h MET 448 Ca 0.22 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.33 3ksa h MET 448 Cb 0.25 0.04 -0.00 0.00 0.43 0.00 0.00 31.60 32.32 3ksa h MET 448 CO -0.01 -0.12 0.00 -0.07 -0.40 0.00 0.00 176.91 176.31 3ksa h LEU 449 N -0.18 0.01 -1.49 3.39 3.38 -0.30 -2.34 115.31 117.78 3ksa h LEU 449 Ca 0.06 -0.01 0.19 0.00 0.09 0.00 0.00 57.88 58.21 3ksa h LEU 449 Cb 0.26 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 3ksa h LEU 449 CO -0.15 0.01 0.58 0.00 0.09 0.00 0.00 178.44 178.97 3ksa h ALA 450 N 1.00 2.14 0.24 1.53 0.00 -0.81 -0.25 119.26 123.12 3ksa h ALA 450 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3ksa h ALA 450 Cb 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3ksa h ALA 450 CO -0.00 -0.42 -0.17 0.00 0.00 0.00 0.00 179.25 178.67 3ksa h ALA 451 N 1.62 -0.98 -0.85 0.00 0.00 -1.18 -2.59 119.26 115.27 3ksa h ALA 451 Ca 0.46 -0.08 0.21 0.00 0.00 0.00 0.00 54.91 55.50 3ksa h ALA 451 Cb 1.08 0.32 -0.15 0.00 0.00 0.00 0.00 17.79 19.03 3ksa h ALA 451 CO -0.18 -0.98 0.06 0.82 0.00 0.00 0.00 179.25 178.98 3ksa h ILE 452 N -0.39 0.25 -0.61 0.00 2.04 -0.91 0.92 117.51 118.81 3ksa h ILE 452 Ca -0.03 -0.04 0.09 0.00 1.00 0.00 0.00 64.86 65.88 3ksa h ILE 452 Cb 0.32 0.14 -0.07 0.00 -0.74 0.00 0.00 36.82 36.46 3ksa h ILE 452 CO 0.02 0.02 0.24 0.40 0.00 0.00 0.00 178.15 178.83 3ksa h ILE 453 N 0.11 0.78 -0.96 -0.67 2.04 -1.11 -3.20 117.51 114.49 3ksa h ILE 453 Ca 0.49 -0.15 -0.51 0.00 1.00 0.00 0.00 64.86 65.69 3ksa h ILE 453 Cb 0.94 0.32 -0.42 0.00 -0.74 0.00 0.00 36.82 36.92 3ksa h ILE 453 CO -0.73 0.08 -0.85 0.61 0.00 0.00 0.00 178.15 177.25 3ksa n GLY 454 N -1.29 5.44 1.04 5.37 0.00 0.13 -4.80 105.19 111.09 3ksa n GLY 454 Ca 0.09 -2.43 0.04 0.00 0.00 0.00 0.00 46.02 43.71 3ksa n GLY 454 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ksa n ASP 455 N -0.59 0.91 0.00 1.61 5.68 -0.13 -4.97 116.55 119.07 3ksa n ASP 455 Ca 0.36 -2.31 0.00 0.00 -0.50 0.00 0.00 54.79 52.34 3ksa n ASP 455 Cb 0.85 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 3ksa n ASP 455 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 3ksa n GLU 456 N 0.05 0.00 -0.06 0.11 4.07 -1.26 -0.59 120.64 122.96 3ksa n GLU 456 Ca 0.07 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 57.02 3ksa n GLU 456 Cb 0.94 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 32.29 3ksa n GLU 456 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 3ksa h ARG 457 N 0.00 0.83 -0.81 5.31 9.65 -1.96 -2.17 114.38 125.24 3ksa h ARG 457 Ca 0.00 -0.56 0.10 0.00 -1.10 0.00 0.00 59.98 58.42 3ksa h ARG 457 Cb 0.00 0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 28.60 3ksa h ARG 457 CO 0.00 1.19 0.53 1.15 2.80 0.00 0.00 179.97 185.63 3ksa h THR 458 N 0.62 0.95 0.31 0.20 2.02 -1.21 -0.42 112.91 115.39 3ksa h THR 458 Ca -0.00 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 3ksa h THR 458 Cb 1.21 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 3ksa h THR 458 CO 0.13 0.14 -0.15 -0.03 0.37 0.00 0.00 175.52 175.98 3ksa h MET 459 N 0.75 -0.40 -0.79 6.66 1.85 -1.66 -2.89 114.93 118.45 3ksa h MET 459 Ca 0.37 0.03 0.01 0.00 -0.61 0.00 0.00 59.70 59.50 3ksa h MET 459 Cb 0.44 0.09 -0.04 0.00 0.43 0.00 0.00 31.60 32.53 3ksa h MET 459 CO -0.14 -0.18 0.52 1.88 -0.40 0.00 0.00 176.91 178.59 3ksa h TYR 460 N -0.55 0.99 0.11 1.39 0.05 -0.72 -2.12 116.97 116.11 3ksa h TYR 460 Ca -0.04 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.76 3ksa h TYR 460 Cb 0.41 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 3ksa h TYR 460 CO -0.02 0.62 -0.10 -0.91 -1.05 0.00 0.00 178.16 176.70 3ksa h ASN 461 N 1.06 -0.26 -0.91 3.88 2.35 -1.12 -0.54 115.58 120.05 3ksa h ASN 461 Ca 0.29 0.02 0.16 0.00 -0.55 0.00 0.00 56.30 56.22 3ksa h ASN 461 Cb -0.11 0.09 -0.10 0.00 0.05 0.00 0.00 38.32 38.25 3ksa h ASN 461 CO -0.06 -0.15 0.51 0.25 -1.65 0.00 0.00 177.43 176.32 3ksa h LEU 462 N -0.22 0.64 0.02 1.61 6.46 -1.22 0.12 115.31 122.71 3ksa h LEU 462 Ca 0.00 0.09 0.03 0.00 -0.12 0.00 0.00 57.88 57.88 3ksa h LEU 462 Cb 0.21 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.08 3ksa h LEU 462 CO -0.02 0.26 -0.20 -0.03 -0.62 0.00 0.00 178.44 177.83 3ksa h MET 463 N 0.70 -0.32 -0.55 1.25 4.05 -0.89 -1.40 114.93 117.77 3ksa h MET 463 Ca 0.50 0.02 0.05 0.00 -0.28 0.00 0.00 59.70 60.00 3ksa h MET 463 Cb 0.71 0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 31.54 3ksa h MET 463 CO -0.36 -0.21 0.27 0.87 0.23 0.00 0.00 176.91 177.71 3ksa h LYS 464 N -0.33 0.50 0.75 0.39 6.56 0.65 -0.93 116.57 124.15 3ksa h LYS 464 Ca 0.05 -0.03 -0.03 0.00 -1.06 0.00 0.00 60.65 59.58 3ksa h LYS 464 Cb 0.40 -0.11 -0.00 0.00 -0.57 0.00 0.00 32.23 31.94 3ksa h LYS 464 CO -0.17 0.33 -0.46 1.57 -2.06 0.00 0.00 179.45 178.66 3ksa h LYS 465 N 0.52 -1.09 -0.83 3.15 2.10 -0.62 -0.30 116.57 119.50 3ksa h LYS 465 Ca 0.25 0.07 0.15 0.00 -2.00 0.00 0.00 60.65 59.12 3ksa h LYS 465 Cb 0.17 0.25 -0.09 0.00 -0.90 0.00 0.00 32.23 31.66 3ksa h LYS 465 CO -0.18 -0.73 0.40 0.93 -2.00 0.00 0.00 179.45 177.88 3ksa h GLU 466 N -1.13 0.56 -0.45 0.07 5.08 -1.01 0.13 114.58 117.83 3ksa h GLU 466 Ca -0.10 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3ksa h GLU 466 Cb 0.91 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 3ksa h GLU 466 CO 0.10 0.37 0.27 -0.07 -1.00 0.00 0.00 179.01 178.68 3ksa h LEU 467 N 0.58 0.45 -0.64 1.33 3.38 -0.89 -0.44 115.31 119.08 3ksa h LEU 467 Ca 0.45 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.40 3ksa h LEU 467 Cb 0.65 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 3ksa h LEU 467 CO -0.37 0.32 0.33 0.03 0.09 0.00 0.00 178.44 178.84 3ksa h ARG 468 N 0.55 0.91 -0.90 1.13 3.08 0.94 -0.83 114.38 119.26 3ksa h ARG 468 Ca 0.17 -0.12 0.06 0.00 0.07 0.00 0.00 59.98 60.16 3ksa h ARG 468 Cb -0.01 -0.17 -0.06 0.00 0.08 0.00 0.00 29.97 29.81 3ksa h ARG 468 CO -0.07 0.71 0.57 0.93 -1.07 0.00 0.00 179.97 181.04 3ksa h GLU 469 N 0.88 1.02 -0.59 0.04 4.39 -0.35 -0.59 114.58 119.38 3ksa h GLU 469 Ca 0.22 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.77 3ksa h GLU 469 Cb 0.08 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 3ksa h GLU 469 CO -0.03 0.67 0.01 0.28 -1.16 0.00 0.00 179.01 178.79 3ksa h VAL 470 N 1.05 1.26 -0.28 3.13 2.07 -0.61 -2.09 116.25 120.79 3ksa h VAL 470 Ca 0.39 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.78 3ksa h VAL 470 Cb 0.14 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3ksa h VAL 470 CO -0.16 0.41 0.18 0.11 0.02 0.00 0.00 177.57 178.12 3ksa h LYS 471 N 0.94 0.37 -0.18 1.57 1.57 -0.58 -1.17 116.57 119.09 3ksa h LYS 471 Ca 0.17 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 3ksa h LYS 471 Cb 0.54 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 3ksa h LYS 471 CO 0.03 0.27 0.00 1.57 -0.57 0.00 0.00 179.45 180.75 3ksa h LYS 472 N 0.37 0.06 0.89 3.15 -0.00 -1.02 -0.18 116.57 119.84 3ksa h LYS 472 Ca 0.10 -0.00 -0.04 0.00 -0.00 0.00 0.00 60.65 60.70 3ksa h LYS 472 Cb -0.02 -0.01 0.01 0.00 -0.00 0.00 0.00 32.23 32.20 3ksa h LYS 472 CO -0.02 0.04 -0.43 -0.22 -0.00 0.00 0.00 179.45 178.82 3ksa h LYS 473 N 0.06 -1.15 -0.15 0.07 1.63 -1.26 -3.35 116.57 112.43 3ksa h LYS 473 Ca 0.08 0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 3ksa h LYS 473 Cb 0.10 0.26 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 3ksa h LYS 473 CO -0.14 -0.76 0.00 1.19 -3.45 0.00 0.00 179.45 176.29 3ksa n PHE 474 N -5.25 0.18 -2.22 1.91 3.72 -0.45 -4.98 117.46 110.36 3ksa n PHE 474 Ca -0.15 -0.09 -0.39 0.00 -0.05 0.00 0.00 57.45 56.78 3ksa n PHE 474 Cb 0.47 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.99 3ksa n PHE 474 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ksa s ALA 475 N -1.82 3.17 0.02 4.37 0.00 -0.09 -4.91 121.76 122.51 3ksa s ALA 475 Ca 0.34 1.04 -0.02 0.00 0.00 0.00 0.00 51.96 53.33 3ksa s ALA 475 Cb 0.20 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 3ksa s ALA 475 CO 0.30 -0.63 0.02 0.95 0.00 0.00 0.00 175.76 176.40 3ksa s THR 476 N -1.37 0.11 0.97 0.00 -4.23 -1.26 -5.03 115.64 104.82 3ksa s THR 476 Ca 0.57 -0.87 -0.14 0.00 -1.18 0.00 0.00 61.69 60.07 3ksa s THR 476 Cb -0.33 -0.33 0.00 0.00 1.34 0.00 0.00 72.50 73.18 3ksa s THR 476 CO 0.41 -0.48 0.16 -2.65 -0.54 0.00 0.00 174.62 171.52 3ksa n PRO 477 N 1.52 -0.28 -2.35 3.99 -0.02 -1.26 -4.78 135.00 131.82 3ksa n PRO 477 Ca -0.23 -0.05 -0.37 0.00 -2.02 0.00 0.00 63.50 60.83 3ksa n PRO 477 Cb 0.55 -1.69 -0.02 0.00 -0.02 0.00 0.00 33.50 32.33 3ksa n PRO 477 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3ksa s ARG 478 N -3.32 3.83 -0.16 -0.52 0.52 -1.26 -4.96 118.95 113.08 3ksa s ARG 478 Ca 0.54 1.67 0.05 0.00 -0.52 0.00 0.00 55.73 57.46 3ksa s ARG 478 Cb -0.20 -2.39 -0.13 0.00 0.52 0.00 0.00 34.95 32.75 3ksa s ARG 478 CO 0.70 -0.47 -0.09 1.47 0.02 0.00 0.00 175.30 176.93 3ksa n LEU 479 N -0.48 2.08 -4.87 2.53 -0.00 -1.26 -4.99 117.00 110.01 3ksa n LEU 479 Ca 0.07 -0.06 -0.35 0.00 -0.00 0.00 0.00 56.01 55.66 3ksa n LEU 479 Cb 0.49 -0.32 -0.06 0.00 -0.00 0.00 0.00 43.42 43.53 3ksa n LEU 479 CO 0.46 0.65 0.04 -0.94 -0.00 0.00 0.00 177.39 177.60 3ksa s SER 480 N -5.37 6.62 0.21 1.45 1.04 -1.26 -4.20 113.70 112.20 3ksa s SER 480 Ca -0.18 0.75 0.08 0.00 0.48 0.00 0.00 55.95 57.07 3ksa s SER 480 Cb 0.05 -2.16 -0.04 0.00 0.10 0.00 0.00 66.02 63.97 3ksa s SER 480 CO 0.45 0.23 0.04 -0.94 0.98 0.00 0.00 173.24 174.00 3ksa s SER 481 N -1.60 4.90 -0.16 7.02 1.04 -0.47 -4.95 113.70 119.48 3ksa s SER 481 Ca 0.29 -0.42 0.01 0.00 0.48 0.00 0.00 55.95 56.32 3ksa s SER 481 Cb -0.14 -1.07 0.01 0.00 0.10 0.00 0.00 66.02 64.92 3ksa s SER 481 CO 0.16 0.04 -0.19 -0.76 0.98 0.00 0.00 173.24 173.47 3ksa s LEU 482 N -3.32 2.25 0.00 2.42 1.43 -1.26 -0.35 118.68 119.86 3ksa s LEU 482 Ca 0.30 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 3ksa s LEU 482 Cb -0.08 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.64 3ksa s LEU 482 CO 0.20 0.06 0.26 -0.62 0.23 0.00 0.00 176.35 176.48