#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kak n TYR 31 N 0.00 0.53 0.29 -0.67 0.53 -1.26 -2.22 117.16 114.36 3kak n TYR 31 Ca 0.00 0.20 0.17 0.00 -1.02 0.00 0.00 57.90 57.25 3kak n TYR 31 Cb 0.00 -0.82 0.72 0.00 -1.03 0.00 0.00 39.34 38.21 3kak n TYR 31 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 3kak h HIS 32 N 0.00 0.00 -0.17 -0.72 3.86 -1.89 -3.03 115.15 113.21 3kak h HIS 32 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3kak h HIS 32 Cb 0.38 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.85 3kak h HIS 32 CO 0.00 0.00 0.00 0.54 0.86 0.00 0.00 177.93 179.33 3kak n ARG 33 N -3.00 1.40 -3.88 2.45 5.12 -0.94 -4.90 116.66 112.91 3kak n ARG 33 Ca 0.00 -0.61 -0.37 0.00 -1.93 0.00 0.00 57.85 54.95 3kak n ARG 33 Cb 0.27 -1.15 -0.06 0.00 -1.16 0.00 0.00 32.46 30.37 3kak n ARG 33 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3kak s ILE 34 N -1.76 5.50 0.21 0.55 1.01 -1.15 -5.02 121.20 120.54 3kak s ILE 34 Ca 0.11 0.20 -0.32 0.00 0.00 0.00 0.00 60.65 60.64 3kak s ILE 34 Cb 0.06 -3.41 -0.13 0.00 0.01 0.00 0.00 42.46 38.99 3kak s ILE 34 CO 0.07 0.61 1.64 -0.67 0.00 0.00 0.00 174.94 176.60 3kak n ASP 35 N 1.93 3.65 0.01 3.58 -0.08 -1.26 -4.70 116.55 119.69 3kak n ASP 35 Ca -0.20 1.09 0.10 0.00 -1.51 0.00 0.00 54.79 54.27 3kak n ASP 35 Cb 0.55 -1.53 0.52 0.00 2.34 0.00 0.00 41.12 43.01 3kak n ASP 35 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 3kak h GLN 36 N 6.07 0.32 0.06 -0.67 4.15 -1.95 0.19 115.11 123.29 3kak h GLN 36 Ca -0.44 -0.02 -0.25 0.00 0.77 0.00 0.00 58.65 58.71 3kak h GLN 36 Cb 1.22 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.82 3kak h GLN 36 CO 0.90 0.21 -1.19 0.87 -1.93 0.00 0.00 178.83 177.70 3kak h LYS 37 N 0.33 0.12 -0.01 1.69 1.57 -1.99 -1.95 116.57 116.32 3kak h LYS 37 Ca 0.19 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3kak h LYS 37 Cb 0.33 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 3kak h LYS 37 CO -0.04 1.06 0.01 1.25 -0.57 0.00 0.00 179.45 181.15 3kak h LEU 38 N 0.03 0.02 -0.86 2.94 5.85 -1.61 -2.72 115.31 118.97 3kak h LEU 38 Ca -0.10 -0.17 0.22 0.00 0.84 0.00 0.00 57.88 58.68 3kak h LEU 38 Cb 1.88 -0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.77 3kak h LEU 38 CO 0.16 0.18 0.18 -0.07 -0.34 0.00 0.00 178.44 178.55 3kak h LEU 39 N -0.14 -0.09 -0.92 2.25 4.07 -0.66 -0.55 115.31 119.28 3kak h LEU 39 Ca 0.00 0.20 -0.01 0.00 0.08 0.00 0.00 57.88 58.15 3kak h LEU 39 Cb 0.17 0.29 -0.04 0.00 1.08 0.00 0.00 40.66 42.15 3kak h LEU 39 CO -0.00 -0.17 0.52 -0.61 -1.08 0.00 0.00 178.44 177.10 3kak h GLN 40 N 0.18 1.28 -0.25 1.13 5.75 -1.26 -1.35 115.11 120.59 3kak h GLN 40 Ca 0.52 -0.14 0.01 0.00 -0.15 0.00 0.00 58.65 58.90 3kak h GLN 40 Cb 1.03 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 29.31 3kak h GLN 40 CO -0.67 0.92 0.13 -0.91 -2.65 0.00 0.00 178.83 175.65 3kak h ASN 41 N 1.28 0.19 0.13 -0.69 2.35 -0.79 0.48 115.58 118.53 3kak h ASN 41 Ca 0.33 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 56.10 3kak h ASN 41 Cb 0.00 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 3kak h ASN 41 CO -0.05 0.15 -0.22 0.40 -1.65 0.00 0.00 177.43 176.05 3kak h ILE 42 N 0.27 0.50 -0.76 2.81 2.04 -1.32 -2.22 117.51 118.83 3kak h ILE 42 Ca 0.10 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.05 3kak h ILE 42 Cb 0.02 0.50 -0.07 0.00 -0.74 0.00 0.00 36.82 36.53 3kak h ILE 42 CO -0.06 0.00 0.40 0.58 0.00 0.00 0.00 178.15 179.07 3kak h VAL 43 N -0.42 0.87 -0.59 1.67 2.07 -1.21 0.70 116.25 119.35 3kak h VAL 43 Ca 0.02 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 3kak h VAL 43 Cb 0.44 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 3kak h VAL 43 CO -0.12 0.12 0.26 0.22 0.02 0.00 0.00 177.57 178.08 3kak h TYR 44 N 0.68 0.83 -0.08 1.57 3.20 -0.72 -1.75 116.97 120.70 3kak h TYR 44 Ca 0.37 -0.03 -0.15 0.00 3.14 0.00 0.00 58.73 62.06 3kak h TYR 44 Cb 0.36 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 3kak h TYR 44 CO -0.09 0.62 -0.61 -0.44 -1.64 0.00 0.00 178.16 176.00 3kak h ASP 45 N 0.83 0.31 -0.14 -2.11 3.32 -0.44 -1.83 116.42 116.36 3kak h ASP 45 Ca 0.20 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 3kak h ASP 45 Cb 0.11 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3kak h ASP 45 CO -0.02 0.84 -0.24 0.00 -1.72 0.00 0.00 179.24 178.10 3kak h ALA 46 N 1.16 0.21 -0.08 3.45 0.00 -0.29 -0.01 119.26 123.70 3kak h ALA 46 Ca -0.01 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.56 3kak h ALA 46 Cb 1.12 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 3kak h ALA 46 CO 0.10 0.18 -0.24 -0.07 0.00 0.00 0.00 179.25 179.22 3kak h LEU 47 N 0.00 -0.72 -0.16 0.00 3.38 -1.31 0.31 115.31 116.81 3kak h LEU 47 Ca 0.01 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.14 3kak h LEU 47 Cb 0.82 0.31 -0.06 0.00 0.09 0.00 0.00 40.66 41.82 3kak h LEU 47 CO 0.05 -0.29 -0.22 0.58 0.09 0.00 0.00 178.44 178.65 3kak h VAL 48 N -0.33 0.45 -0.17 1.22 2.07 -1.18 -2.21 116.25 116.11 3kak h VAL 48 Ca 0.09 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.64 3kak h VAL 48 Cb 0.45 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3kak h VAL 48 CO -0.27 0.00 -0.02 -0.25 0.02 0.00 0.00 177.57 177.05 3kak h TRP 49 N -0.26 -0.04 -0.99 1.57 7.01 -0.95 -1.46 115.95 120.84 3kak h TRP 49 Ca 0.11 0.01 0.23 0.00 2.11 0.00 0.00 58.89 61.35 3kak h TRP 49 Cb 0.43 0.04 -0.12 0.00 -2.10 0.00 0.00 29.16 27.41 3kak h TRP 49 CO -0.34 -0.04 0.57 0.77 -2.79 0.00 0.00 178.44 176.61 3kak h SER 50 N 0.03 0.65 0.31 2.65 0.02 -0.85 0.14 113.55 116.50 3kak h SER 50 Ca 0.08 0.13 -0.25 0.00 -0.84 0.00 0.00 61.79 60.91 3kak h SER 50 Cb 0.11 0.03 0.01 0.00 0.14 0.00 0.00 62.40 62.69 3kak h SER 50 CO -0.15 0.12 -1.07 0.74 -1.14 0.00 0.00 176.83 175.33 3kak h THR 51 N 0.59 1.38 -0.08 -2.27 2.02 -0.90 0.02 112.91 113.67 3kak h THR 51 Ca 0.62 -2.53 -0.17 0.00 0.77 0.00 0.00 66.41 65.10 3kak h THR 51 Cb 1.14 2.56 -0.01 0.00 -1.74 0.00 0.00 68.15 70.10 3kak h THR 51 CO -0.46 0.76 -0.67 -0.07 0.37 0.00 0.00 175.52 175.44 3kak h LEU 52 N 0.23 0.41 -3.28 2.58 3.38 -0.37 -3.25 115.31 115.01 3kak h LEU 52 Ca -0.12 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3kak h LEU 52 Cb 1.73 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.36 3kak h LEU 52 CO 0.19 0.97 0.00 0.59 0.09 0.00 0.00 178.44 180.28 3kak n ASN 53 N -3.85 4.61 -3.57 -0.43 3.02 0.42 -4.99 115.26 110.47 3kak n ASN 53 Ca -0.03 -2.72 -0.22 0.00 -0.03 0.00 0.00 54.58 51.57 3kak n ASN 53 Cb 0.67 -0.57 0.08 0.00 -0.61 0.00 0.00 39.78 39.35 3kak n ASN 53 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kak n LEU 55 N -4.65 7.26 -4.14 0.00 7.94 -0.04 -4.93 117.00 118.44 3kak n LEU 55 Ca -0.11 -4.73 -0.19 0.00 -1.11 0.00 0.00 56.01 49.87 3kak n LEU 55 Cb 0.60 -1.43 -0.13 0.00 0.53 0.00 0.00 43.42 42.99 3kak n LEU 55 CO 0.64 1.67 -0.45 -0.76 -1.11 0.00 0.00 177.39 177.38 3kak s LEU 56 N -0.91 2.20 0.19 -1.96 1.43 -1.26 -2.09 118.68 116.28 3kak s LEU 56 Ca 0.46 -0.50 0.05 0.00 -1.03 0.00 0.00 54.13 53.11 3kak s LEU 56 Cb 0.13 -0.53 -0.05 0.00 0.03 0.00 0.00 46.19 45.78 3kak s LEU 56 CO -0.04 -0.02 -0.09 0.68 0.23 0.00 0.00 176.35 177.12 3kak s VAL 57 N -0.99 1.34 0.00 -1.59 -7.23 -0.12 -4.79 120.40 107.02 3kak s VAL 57 Ca -0.00 -2.10 -0.39 0.00 -1.81 0.00 0.00 61.98 57.68 3kak s VAL 57 Cb -0.08 -2.06 -0.18 0.00 0.56 0.00 0.00 36.38 34.62 3kak s VAL 57 CO 0.01 -0.58 1.29 0.61 -0.31 0.00 0.00 175.10 176.12 3kak n GLY 58 N -0.33 0.22 3.65 2.32 0.00 -0.17 -1.82 105.19 109.05 3kak n GLY 58 Ca -0.08 0.75 -0.43 0.00 0.00 0.00 0.00 46.02 46.27 3kak n GLY 58 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kak s ASP 59 N 0.66 6.86 0.23 1.61 -1.08 0.13 -4.82 116.67 120.26 3kak s ASP 59 Ca 0.89 1.45 -0.03 0.00 -0.52 0.00 0.00 52.55 54.34 3kak s ASP 59 Cb -1.10 -2.54 0.47 0.00 -1.46 0.00 0.00 42.92 38.29 3kak s ASP 59 CO 0.53 -0.87 1.21 2.29 0.52 0.00 0.00 175.17 178.85 3kak n LYS 60 N 6.85 -0.07 -0.03 4.34 2.85 -1.26 -0.98 118.16 129.87 3kak n LYS 60 Ca 0.14 1.18 0.24 0.00 -1.05 0.00 0.00 58.31 58.82 3kak n LYS 60 Cb 0.46 -1.82 0.70 0.00 -0.65 0.00 0.00 35.03 33.71 3kak n LYS 60 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 3kak h SER 61 N 0.00 0.00 -3.31 -5.58 0.87 -1.97 -3.38 113.55 100.18 3kak h SER 61 Ca 0.42 0.00 -0.73 0.00 -1.23 0.00 0.00 61.79 60.25 3kak h SER 61 Cb 0.75 0.00 -0.28 0.00 -0.44 0.00 0.00 62.40 62.44 3kak h SER 61 CO -0.76 0.00 -0.38 -0.69 -0.53 0.00 0.00 176.83 174.46 3kak s VAL 62 N -4.66 4.45 0.54 2.23 1.01 -0.15 -5.02 120.40 118.80 3kak s VAL 62 Ca -0.04 -1.57 0.28 0.00 0.00 0.00 0.00 61.98 60.65 3kak s VAL 62 Cb 0.17 -3.83 0.43 0.00 0.00 0.00 0.00 36.38 33.14 3kak s VAL 62 CO 0.58 -0.70 1.94 0.06 0.00 0.00 0.00 175.10 176.99 3kak h GLN 63 N 8.53 0.00 0.00 2.72 -0.00 -1.81 -0.07 115.11 124.48 3kak h GLN 63 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.41 3kak h GLN 63 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.56 3kak h GLN 63 CO 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 178.83 179.69 3kak h ARG 64 N 0.00 0.00 0.00 0.06 3.08 -1.95 -3.40 114.38 112.17 3kak h ARG 64 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 3kak h ARG 64 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 3kak h ARG 64 CO -0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.77 3kak n SER 65 N -2.72 0.00 -0.58 7.04 3.41 -0.04 -0.65 113.62 120.08 3kak n SER 65 Ca 0.04 0.04 0.06 0.00 -0.26 0.00 0.00 58.87 58.75 3kak n SER 65 Cb 0.45 -0.20 0.11 0.00 -0.26 0.00 0.00 64.21 64.31 3kak n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kak n GLY 66 N -0.56 1.40 1.24 5.00 0.00 -1.26 -4.37 105.19 106.64 3kak n GLY 66 Ca 0.05 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3kak n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kak n ARG 67 N 0.61 0.00 -2.99 1.61 1.74 -0.50 -0.39 116.66 116.74 3kak n ARG 67 Ca 0.10 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.76 3kak n ARG 67 Cb 0.37 -0.29 -0.05 0.00 -1.02 0.00 0.00 32.46 31.47 3kak n ARG 67 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kak s VAL 68 N -1.82 4.83 0.58 1.55 1.01 0.18 -5.07 120.40 121.65 3kak s VAL 68 Ca 0.00 1.10 -0.17 0.00 0.00 0.00 0.00 61.98 62.91 3kak s VAL 68 Cb 0.00 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 3kak s VAL 68 CO 0.00 -0.22 1.07 -2.16 0.00 0.00 0.00 175.10 173.79 3kak s PRO 69 N 2.87 3.33 0.00 2.72 0.04 -1.26 -3.86 135.00 138.84 3kak s PRO 69 Ca 0.30 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.63 3kak s PRO 69 Cb -0.14 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.37 3kak s PRO 69 CO 0.12 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 176.76 3kak n GLY 70 N -0.71 0.59 3.10 0.56 0.00 -1.26 -4.99 105.19 102.48 3kak n GLY 70 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 3kak n GLY 70 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kak s VAL 71 N -2.38 1.00 -0.67 1.61 -7.23 -1.25 -4.88 120.40 106.60 3kak s VAL 71 Ca 0.00 -0.72 -0.03 0.00 -1.81 0.00 0.00 61.98 59.42 3kak s VAL 71 Cb 0.00 -0.87 0.00 0.00 0.56 0.00 0.00 36.38 36.07 3kak s VAL 71 CO 0.00 0.15 0.41 0.61 -0.31 0.00 0.00 175.10 175.96 3kak n GLY 72 N 2.41 0.20 3.84 2.32 0.00 -1.26 -4.63 105.19 108.06 3kak n GLY 72 Ca -0.16 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 3kak n GLY 72 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kak s LEU 73 N -3.61 4.16 0.00 0.99 1.43 -1.26 0.18 118.68 120.56 3kak s LEU 73 Ca 0.20 1.34 -0.13 0.00 -1.03 0.00 0.00 54.13 54.52 3kak s LEU 73 Cb -0.09 -3.91 0.02 0.00 0.03 0.00 0.00 46.19 42.23 3kak s LEU 73 CO 0.25 -0.12 0.26 0.54 0.23 0.00 0.00 176.35 177.51 3kak s VAL 74 N -1.82 0.07 0.64 -1.59 0.11 -0.76 -4.82 120.40 112.24 3kak s VAL 74 Ca 0.50 -0.58 -0.17 0.00 -2.93 0.00 0.00 61.98 58.80 3kak s VAL 74 Cb -0.13 -0.64 -0.01 0.00 -1.53 0.00 0.00 36.38 34.07 3kak s VAL 74 CO 0.19 -0.32 1.20 -1.38 -3.33 0.00 0.00 175.10 171.46 3kak s HIS 75 N -1.59 2.30 0.34 1.54 -3.43 -1.26 -0.95 115.29 112.25 3kak s HIS 75 Ca -0.12 1.54 -0.28 0.00 -0.80 0.00 0.00 55.06 55.40 3kak s HIS 75 Cb -0.05 -3.46 -0.12 0.00 -1.43 0.00 0.00 32.58 27.52 3kak s HIS 75 CO 0.02 -2.32 1.27 1.28 -2.00 0.00 0.00 174.74 173.00 3kak n LEU 76 N -2.00 3.49 -4.72 5.38 7.99 -0.89 -4.66 117.00 121.59 3kak n LEU 76 Ca 0.13 1.20 -0.43 0.00 -0.01 0.00 0.00 56.01 56.91 3kak n LEU 76 Cb 0.50 -1.47 -0.03 0.00 -0.11 0.00 0.00 43.42 42.31 3kak n LEU 76 CO 0.46 -0.55 1.31 -2.65 -1.51 0.00 0.00 177.39 174.45 3kak n PRO 77 N 0.52 2.65 -4.11 3.23 -0.02 -1.26 -4.87 135.00 131.15 3kak n PRO 77 Ca 0.05 0.95 -0.13 0.00 -2.02 0.00 0.00 63.50 62.36 3kak n PRO 77 Cb 0.36 -2.77 -0.11 0.00 -0.02 0.00 0.00 33.50 30.96 3kak n PRO 77 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 3kak s LEU 78 N 0.71 2.34 -0.01 2.45 0.05 -0.83 -0.85 118.68 122.53 3kak s LEU 78 Ca 0.73 -0.70 -0.26 0.00 0.05 0.00 0.00 54.13 53.94 3kak s LEU 78 Cb -0.53 -0.16 -0.04 0.00 -2.05 0.00 0.00 46.19 43.41 3kak s LEU 78 CO 0.37 -0.28 0.81 -0.55 -0.55 0.00 0.00 176.35 176.16 3kak s SER 79 N -2.06 7.18 0.26 1.48 0.15 -0.25 -1.01 113.70 119.45 3kak s SER 79 Ca -0.02 1.42 -0.04 0.00 0.70 0.00 0.00 55.95 58.00 3kak s SER 79 Cb -0.05 -2.48 0.32 0.00 -1.71 0.00 0.00 66.02 62.10 3kak s SER 79 CO -0.01 -0.13 1.93 0.25 1.20 0.00 0.00 173.24 176.48 3kak h LEU 80 N 6.50 1.10 -7.44 3.45 5.85 -1.36 -3.44 115.31 119.96 3kak h LEU 80 Ca -0.42 -0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.14 3kak h LEU 80 Cb 1.21 -0.27 -0.24 0.00 0.37 0.00 0.00 40.66 41.73 3kak h LEU 80 CO 0.74 0.78 -0.34 -0.76 -0.34 0.00 0.00 178.44 178.51 3kak s LEU 81 N -10.09 0.84 0.48 2.25 1.43 -1.26 -4.87 118.68 107.45 3kak s LEU 81 Ca -0.13 0.53 -0.24 0.00 -1.03 0.00 0.00 54.13 53.26 3kak s LEU 81 Cb 0.18 1.09 -0.07 0.00 0.03 0.00 0.00 46.19 47.42 3kak s LEU 81 CO 0.81 -0.16 1.39 -0.81 0.23 0.00 0.00 176.35 177.81 3kak n PRO 82 N 2.64 2.03 -1.98 1.29 -0.04 -1.26 -4.84 135.00 132.84 3kak n PRO 82 Ca -0.14 0.73 -0.29 0.00 -0.04 0.00 0.00 63.50 63.76 3kak n PRO 82 Cb 0.58 -2.58 0.07 0.00 -0.04 0.00 0.00 33.50 31.52 3kak n PRO 82 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3kak s GLY 83 N -0.62 1.62 0.43 0.55 0.00 -1.26 -4.67 107.32 103.36 3kak s GLY 83 Ca 0.65 -0.59 -0.17 0.00 0.00 0.00 0.00 44.72 44.61 3kak s GLY 83 CO 0.55 -0.17 0.89 2.56 0.00 0.00 0.00 173.10 176.93 3kak s PRO 84 N -5.41 4.02 -0.07 2.90 0.04 -1.26 -1.05 135.00 134.16 3kak s PRO 84 Ca 0.60 0.87 -0.03 0.00 0.04 0.00 0.00 61.00 62.48 3kak s PRO 84 Cb -0.11 -2.25 0.04 0.00 0.04 0.00 0.00 34.50 32.22 3kak s PRO 84 CO 0.49 -0.08 0.14 0.12 0.04 0.00 0.00 177.00 177.72 3kak s PHE 85 N -2.32 -0.16 0.52 0.56 2.19 0.16 -4.78 117.98 114.15 3kak s PHE 85 Ca 0.58 0.49 -0.23 0.00 0.33 0.00 0.00 56.93 58.10 3kak s PHE 85 Cb -0.10 -0.13 -0.06 0.00 -1.31 0.00 0.00 43.02 41.43 3kak s PHE 85 CO 0.23 -0.18 1.37 -1.25 1.83 0.00 0.00 175.22 177.21 3kak s PRO 86 N 1.38 3.29 0.12 10.12 0.04 -1.26 0.27 135.00 148.95 3kak s PRO 86 Ca -0.07 2.26 -0.05 0.00 0.04 0.00 0.00 61.00 63.18 3kak s PRO 86 Cb -0.12 -2.35 -0.11 0.00 0.04 0.00 0.00 34.50 31.96 3kak s PRO 86 CO -0.06 -1.08 1.29 1.49 0.04 0.00 0.00 177.00 178.68 3kak h GLU 87 N 1.68 0.44 -0.68 4.56 4.81 -1.89 -2.27 114.58 121.22 3kak h GLU 87 Ca -0.51 -0.48 0.06 0.00 -0.13 0.00 0.00 59.36 58.31 3kak h GLU 87 Cb 1.29 0.14 -0.06 0.00 0.63 0.00 0.00 28.75 30.75 3kak h GLU 87 CO 0.58 1.13 0.38 0.66 -0.73 0.00 0.00 179.01 181.03 3kak h SER 88 N 0.25 0.55 0.09 1.04 4.64 -2.00 -1.32 113.55 116.80 3kak h SER 88 Ca -0.09 0.03 -0.16 0.00 -0.47 0.00 0.00 61.79 61.11 3kak h SER 88 Cb 1.59 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.60 3kak h SER 88 CO 0.17 0.35 -0.58 0.45 -0.87 0.00 0.00 176.83 176.35 3kak h HIS 89 N 0.69 0.64 0.41 4.77 3.86 -1.93 -2.38 115.15 121.19 3kak h HIS 89 Ca 0.31 -0.23 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 3kak h HIS 89 Cb 0.21 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.55 3kak h HIS 89 CO -0.08 0.96 -0.40 2.35 0.86 0.00 0.00 177.93 181.62 3kak h TRP 90 N 0.38 -1.11 -1.05 2.45 2.91 -0.94 -0.42 115.95 118.17 3kak h TRP 90 Ca 0.00 0.01 0.28 0.00 1.13 0.00 0.00 58.89 60.30 3kak h TRP 90 Cb 1.12 0.43 -0.10 0.00 -0.51 0.00 0.00 29.16 30.10 3kak h TRP 90 CO 0.04 -0.53 0.66 0.87 -1.03 0.00 0.00 178.44 178.45 3kak h LYS 91 N -0.80 0.40 0.09 2.65 1.57 -1.29 -0.43 116.57 118.76 3kak h LYS 91 Ca -0.05 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3kak h LYS 91 Cb 0.69 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3kak h LYS 91 CO -0.04 0.26 -0.05 1.96 -0.57 0.00 0.00 179.45 181.01 3kak h GLN 92 N 0.41 -0.12 -0.04 3.15 4.20 -1.11 -0.62 115.11 120.98 3kak h GLN 92 Ca 0.63 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 59.33 3kak h GLN 92 Cb 1.52 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 29.33 3kak h GLN 92 CO -0.35 -0.08 -0.05 0.78 -0.67 0.00 0.00 178.83 178.45 3kak h GLY 93 N -0.13 0.06 1.38 3.46 0.00 0.45 -2.77 103.07 105.52 3kak h GLY 93 Ca -0.01 -0.03 -0.25 0.00 0.00 0.00 0.00 47.33 47.04 3kak h GLY 93 CO 0.02 0.03 -1.02 0.00 0.00 0.00 0.00 176.54 175.57 3kak h GLU 95 N 0.30 0.00 0.00 0.00 5.08 -0.93 -2.89 114.58 116.14 3kak h GLU 95 Ca -0.11 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 3kak h GLU 95 Cb 1.67 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.92 3kak h GLU 95 CO 0.19 0.33 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.39 3kak h LEU 96 N 0.00 0.00 0.27 1.33 4.07 -1.45 -3.36 115.31 116.17 3kak h LEU 96 Ca -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 3kak h LEU 96 Cb 0.62 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.37 3kak h LEU 96 CO 0.04 0.08 -0.13 0.00 -1.08 0.00 0.00 178.44 177.35 3kak h ALA 97 N 1.92 -0.36 -0.33 1.53 0.00 -1.54 0.42 119.26 120.90 3kak h ALA 97 Ca -0.00 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.80 3kak h ALA 97 Cb 0.71 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3kak h ALA 97 CO 0.01 -0.64 0.22 -1.35 0.00 0.00 0.00 179.25 177.49 3kak h PRO 98 N -0.50 0.36 -0.41 0.00 0.10 -1.78 0.18 132.00 129.95 3kak h PRO 98 Ca -0.04 -0.02 -0.15 0.00 0.10 0.00 0.00 66.00 65.89 3kak h PRO 98 Cb 0.38 -0.08 -0.01 0.00 0.10 0.00 0.00 31.00 31.39 3kak h PRO 98 CO 0.06 0.24 -0.33 0.82 0.10 0.00 0.00 178.00 178.89 3kak h ILE 99 N 0.37 1.27 0.00 4.15 2.04 -1.52 -1.11 117.51 122.71 3kak h ILE 99 Ca 0.13 -1.50 -0.07 0.00 1.00 0.00 0.00 64.86 64.42 3kak h ILE 99 Cb 0.07 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 3kak h ILE 99 CO -0.03 0.51 -0.34 -0.26 0.00 0.00 0.00 178.15 178.03 3kak h PHE 100 N 0.78 0.00 0.35 1.37 0.04 0.32 -2.06 116.94 117.74 3kak h PHE 100 Ca 0.08 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.83 3kak h PHE 100 Cb 0.92 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.07 3kak h PHE 100 CO 0.06 0.34 -0.17 -0.91 -0.60 0.00 0.00 178.31 177.03 3kak h ASN 101 N 0.00 -0.39 -0.89 2.17 2.35 -0.36 0.19 115.58 118.64 3kak h ASN 101 Ca -0.00 -0.06 0.11 0.00 -0.55 0.00 0.00 56.30 55.79 3kak h ASN 101 Cb 0.74 0.10 -0.07 0.00 0.05 0.00 0.00 38.32 39.14 3kak h ASN 101 CO 0.04 -0.18 0.57 -0.08 -1.65 0.00 0.00 177.43 176.14 3kak h GLU 102 N -0.59 0.81 -0.14 0.81 4.57 -1.23 -2.90 114.58 115.91 3kak h GLU 102 Ca -0.05 -0.05 -0.21 0.00 -1.18 0.00 0.00 59.36 57.88 3kak h GLU 102 Cb 0.43 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 3kak h GLU 102 CO 0.08 0.54 -0.74 1.25 -1.18 0.00 0.00 179.01 178.95 3kak h LEU 103 N 0.83 0.79 -0.86 1.64 5.85 -1.15 -2.58 115.31 119.84 3kak h LEU 103 Ca 0.42 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3kak h LEU 103 Cb 0.49 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 3kak h LEU 103 CO -0.19 1.29 0.55 0.58 -0.34 0.00 0.00 178.44 180.33 3kak h VAL 104 N 0.46 1.23 0.04 1.05 2.07 -0.59 -0.85 116.25 119.66 3kak h VAL 104 Ca -0.04 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 3kak h VAL 104 Cb 1.35 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3kak h VAL 104 CO 0.15 0.23 -0.02 -0.78 0.02 0.00 0.00 177.57 177.16 3kak h ASP 105 N 1.17 -0.04 0.09 0.57 3.58 -1.39 -2.18 116.42 118.22 3kak h ASP 105 Ca 0.31 -0.38 0.02 0.00 0.42 0.00 0.00 57.03 57.40 3kak h ASP 105 Cb -0.10 0.01 -0.05 0.00 1.72 0.00 0.00 39.33 40.91 3kak h ASP 105 CO -0.06 0.36 -0.47 0.03 -2.88 0.00 0.00 179.24 176.22 3kak h ARG 106 N -0.45 -0.66 -1.00 0.28 2.47 -1.42 -1.49 114.38 112.11 3kak h ARG 106 Ca -0.00 0.04 0.21 0.00 -1.26 0.00 0.00 59.98 58.97 3kak h ARG 106 Cb 0.42 0.15 -0.11 0.00 -1.65 0.00 0.00 29.97 28.77 3kak h ARG 106 CO 0.01 -0.44 0.61 0.28 0.56 0.00 0.00 179.97 180.99 3kak h VAL 107 N -0.68 0.64 -0.56 2.04 2.07 -1.07 -0.28 116.25 118.41 3kak h VAL 107 Ca 0.02 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 3kak h VAL 107 Cb 0.71 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 3kak h VAL 107 CO -0.28 0.12 0.19 0.77 0.02 0.00 0.00 177.57 178.39 3kak h SER 108 N 0.67 0.76 0.59 0.57 4.64 -0.63 0.26 113.55 120.41 3kak h SER 108 Ca 0.60 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 3kak h SER 108 Cb 1.05 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 3kak h SER 108 CO -0.40 0.71 0.00 -0.07 -0.87 0.00 0.00 176.83 176.20 3kak h LEU 109 N 0.81 0.00 -7.59 5.97 3.38 -0.25 -3.37 115.31 114.26 3kak h LEU 109 Ca 0.19 0.00 -0.76 0.00 0.09 0.00 0.00 57.88 57.40 3kak h LEU 109 Cb 0.22 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 40.76 3kak h LEU 109 CO -0.01 0.00 1.17 -0.67 0.09 0.00 0.00 178.44 179.02 3kak n ASP 110 N -2.57 5.32 0.26 -0.43 -0.08 0.90 -4.86 116.55 115.08 3kak n ASP 110 Ca 0.00 -3.01 0.09 0.00 -1.51 0.00 0.00 54.79 50.37 3kak n ASP 110 Cb 0.20 -1.51 0.66 0.00 2.34 0.00 0.00 41.12 42.80 3kak n ASP 110 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 3kak h GLY 111 N 8.78 0.00 0.00 0.27 0.00 -1.80 -2.32 103.07 108.01 3kak h GLY 111 Ca 0.29 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.55 3kak h GLY 111 CO 1.22 0.00 -0.39 1.70 0.00 0.00 0.00 176.54 179.06 3kak h LYS 112 N 0.00 0.00 -0.50 4.80 3.64 -1.94 0.20 116.57 122.76 3kak h LYS 112 Ca -0.00 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 3kak h LYS 112 Cb 0.16 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.92 3kak h LYS 112 CO 0.01 0.91 -0.30 0.34 -2.27 0.00 0.00 179.45 178.14 3kak n PHE 113 N -4.57 -0.22 -0.08 1.91 7.35 -1.21 0.86 117.46 121.51 3kak n PHE 113 Ca -0.16 0.63 -0.07 0.00 -0.76 0.00 0.00 57.45 57.09 3kak n PHE 113 Cb 0.50 -0.51 -0.00 0.00 0.35 0.00 0.00 39.48 39.83 3kak n PHE 113 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3kak h LEU 114 N 0.00 -0.47 -0.79 -2.13 3.38 -1.39 -0.27 115.31 113.64 3kak h LEU 114 Ca 0.08 0.11 0.10 0.00 0.09 0.00 0.00 57.88 58.27 3kak h LEU 114 Cb 0.21 0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.14 3kak h LEU 114 CO -0.47 -0.17 0.43 1.56 0.09 0.00 0.00 178.44 179.87 3kak h GLN 115 N -0.09 0.68 -0.06 1.13 1.08 -0.64 -2.71 115.11 114.49 3kak h GLN 115 Ca 0.16 -0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.34 3kak h GLN 115 Cb 0.33 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.57 3kak h GLN 115 CO -0.36 0.45 -0.12 1.49 -0.95 0.00 0.00 178.83 179.34 3kak h GLU 116 N 0.70 -0.16 0.00 1.46 4.57 0.21 -2.95 114.58 118.40 3kak h GLU 116 Ca 0.40 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.56 3kak h GLU 116 Cb 0.42 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.05 3kak h GLU 116 CO -0.28 -0.11 -0.14 0.77 -1.18 0.00 0.00 179.01 178.07 3kak h SER 117 N -0.17 0.00 -0.00 1.04 0.02 -0.99 -3.32 113.55 110.13 3kak h SER 117 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3kak h SER 117 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 3kak h SER 117 CO -0.16 0.14 -0.08 0.18 -1.14 0.00 0.00 176.83 175.77 3kak n LEU 118 N -3.23 0.72 -4.65 5.07 4.77 -1.04 -4.80 117.00 113.84 3kak n LEU 118 Ca 0.01 -0.74 -0.43 0.00 -0.03 0.00 0.00 56.01 54.82 3kak n LEU 118 Cb 0.44 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 3kak n LEU 118 CO 0.32 0.16 0.94 -0.44 -1.33 0.00 0.00 177.39 177.05 3kak s SER 119 N -0.82 7.00 0.00 -1.43 0.01 -1.12 -4.92 113.70 112.42 3kak s SER 119 Ca 0.03 1.19 0.00 0.00 1.31 0.00 0.00 55.95 58.48 3kak s SER 119 Cb 0.03 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.72 3kak s SER 119 CO 0.09 -0.79 0.00 -2.11 0.41 0.00 0.00 173.24 170.84 3kak n ARG 120 N 6.64 0.00 0.00 12.44 1.85 -1.26 -4.96 116.66 131.37 3kak n ARG 120 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.97 3kak n ARG 120 Cb 0.47 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.88 3kak n ARG 120 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kak n ALA 124 N -3.00 0.00 -2.73 2.89 0.00 -1.26 -5.17 120.51 111.23 3kak n ALA 124 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 3kak n ALA 124 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 3kak n ALA 124 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3kak s ASP 125 N 0.00 5.30 0.38 0.00 1.47 -1.26 -5.06 116.67 117.50 3kak s ASP 125 Ca 0.00 -0.05 0.09 0.00 1.18 0.00 0.00 52.55 53.77 3kak s ASP 125 Cb 0.00 -1.38 0.76 0.00 -0.34 0.00 0.00 42.92 41.96 3kak s ASP 125 CO 0.00 0.20 1.91 -0.08 0.68 0.00 0.00 175.17 177.88 3kak h GLU 126 N 3.59 0.28 0.22 2.11 4.81 -2.02 -2.98 114.58 120.60 3kak h GLU 126 Ca -0.48 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.68 3kak h GLU 126 Cb 1.17 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3kak h GLU 126 CO 0.62 0.40 -0.11 0.35 -0.73 0.00 0.00 179.01 179.55 3kak h PHE 127 N 0.27 -0.28 -0.99 0.92 3.57 -1.98 -1.66 116.94 116.78 3kak h PHE 127 Ca 0.05 -0.01 0.26 0.00 3.53 0.00 0.00 57.97 61.81 3kak h PHE 127 Cb 0.37 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.13 3kak h PHE 127 CO 0.01 0.11 0.67 1.15 -2.23 0.00 0.00 178.31 178.01 3kak h THR 128 N -0.79 0.56 0.00 4.41 2.02 -1.99 -1.64 112.91 115.47 3kak h THR 128 Ca -0.03 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.06 3kak h THR 128 Cb 0.51 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 3kak h THR 128 CO 0.05 0.05 -0.68 -1.54 0.37 0.00 0.00 175.52 173.77 3kak n SER 129 N -4.45 0.60 0.01 4.18 3.41 -1.09 -2.14 113.62 114.13 3kak n SER 129 Ca 0.22 -0.24 0.14 0.00 -0.26 0.00 0.00 58.87 58.73 3kak n SER 129 Cb 0.90 0.41 0.56 0.00 -0.26 0.00 0.00 64.21 65.82 3kak n SER 129 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3kak n ARG 130 N -1.71 0.03 -0.05 4.33 5.12 -0.64 -1.96 116.66 121.77 3kak n ARG 130 Ca 0.04 0.02 -0.14 0.00 -1.93 0.00 0.00 57.85 55.84 3kak n ARG 130 Cb 0.38 -1.53 -0.14 0.00 -1.16 0.00 0.00 32.46 30.00 3kak n ARG 130 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3kak n LEU 131 N -1.58 1.56 -0.32 0.55 4.77 -0.89 -3.76 117.00 117.33 3kak n LEU 131 Ca 0.07 0.17 -0.04 0.00 -0.03 0.00 0.00 56.01 56.18 3kak n LEU 131 Cb 0.35 -0.32 0.08 0.00 -2.33 0.00 0.00 43.42 41.20 3kak n LEU 131 CO 0.28 0.64 1.21 -0.07 -1.33 0.00 0.00 177.39 178.12 3kak h LEU 132 N 0.02 1.02 -1.07 2.23 3.38 -1.38 -0.56 115.31 118.95 3kak h LEU 132 Ca -0.43 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.41 3kak h LEU 132 Cb 2.05 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.53 3kak h LEU 132 CO 0.04 0.77 -0.18 -0.78 0.09 0.00 0.00 178.44 178.38 3kak h ASP 133 N 1.18 0.44 -0.24 -0.43 3.58 -1.55 0.71 116.42 120.10 3kak h ASP 133 Ca 0.31 -0.12 -0.16 0.00 0.42 0.00 0.00 57.03 57.48 3kak h ASP 133 Cb -0.08 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 40.85 3kak h ASP 133 CO -0.06 0.64 -0.46 0.40 -2.88 0.00 0.00 179.24 176.87 3kak h ILE 134 N 0.41 1.30 -0.25 2.25 2.04 -1.64 -1.48 117.51 120.14 3kak h ILE 134 Ca 0.07 -1.66 0.05 0.00 1.00 0.00 0.00 64.86 64.32 3kak h ILE 134 Cb 0.55 1.74 -0.05 0.00 -0.74 0.00 0.00 36.82 38.32 3kak h ILE 134 CO 0.04 0.53 -0.07 -0.74 0.00 0.00 0.00 178.15 177.91 3kak h HIS 135 N 0.48 -0.14 -0.73 1.37 2.76 -0.35 -2.62 115.15 115.91 3kak h HIS 135 Ca 0.01 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.21 3kak h HIS 135 Cb 1.06 0.10 -0.04 0.00 1.55 0.00 0.00 27.41 30.09 3kak h HIS 135 CO 0.08 -0.11 0.48 0.77 -1.30 0.00 0.00 177.93 177.85 3kak h SER 136 N -0.00 0.85 -0.57 3.26 0.02 0.46 -1.54 113.55 116.02 3kak h SER 136 Ca 0.12 -0.03 0.07 0.00 -0.84 0.00 0.00 61.79 61.12 3kak h SER 136 Cb 0.19 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 3kak h SER 136 CO -0.26 0.62 0.38 0.11 -1.14 0.00 0.00 176.83 176.54 3kak h LYS 137 N 0.99 0.47 0.01 3.45 1.57 -1.17 0.75 116.57 122.65 3kak h LYS 137 Ca 0.27 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.94 3kak h LYS 137 Cb -0.10 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.11 3kak h LYS 137 CO -0.06 0.31 -0.32 0.52 -0.57 0.00 0.00 179.45 179.34 3kak h MET 138 N 0.49 0.20 -0.49 3.15 2.86 -0.95 -2.84 114.93 117.34 3kak h MET 138 Ca 0.25 -0.23 0.06 0.00 -2.06 0.00 0.00 59.70 57.72 3kak h MET 138 Cb 0.36 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 3kak h MET 138 CO -0.07 0.98 0.33 -0.07 1.06 0.00 0.00 176.91 179.14 3kak h LEU 139 N -0.48 0.39 0.21 1.22 -0.00 -1.10 0.26 115.31 115.81 3kak h LEU 139 Ca -0.04 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.83 3kak h LEU 139 Cb 1.10 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.68 3kak h LEU 139 CO 0.06 0.26 -0.10 1.56 -0.00 0.00 0.00 178.44 180.22 3kak h GLN 140 N 0.45 -0.28 -0.66 1.13 4.20 -0.88 -2.46 115.11 116.61 3kak h GLN 140 Ca 0.21 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3kak h GLN 140 Cb 0.28 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.12 3kak h GLN 140 CO -0.05 0.01 0.00 0.44 -0.67 0.00 0.00 178.83 178.56 3kak n ILE 141 N -5.10 0.00 -3.61 2.54 -5.35 -1.07 -4.91 119.36 101.86 3kak n ILE 141 Ca -0.09 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.18 3kak n ILE 141 Cb 0.22 -0.35 0.01 0.00 -1.74 0.00 0.00 39.64 37.78 3kak n ILE 141 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3kak n ASN 142 N -0.04 -2.41 -4.76 7.28 5.15 -0.93 -4.77 115.26 114.78 3kak n ASN 142 Ca 0.00 -0.64 -0.40 0.00 -0.60 0.00 0.00 54.58 52.93 3kak n ASN 142 Cb 0.17 -0.87 -0.04 0.00 -0.53 0.00 0.00 39.78 38.51 3kak n ASN 142 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 3kak s LYS 143 N -5.15 4.54 -0.19 1.20 2.36 0.89 -5.00 119.74 118.39 3kak s LYS 143 Ca 0.15 1.94 -0.06 0.00 -2.55 0.00 0.00 55.97 55.46 3kak s LYS 143 Cb -0.08 -3.16 -0.03 0.00 -1.05 0.00 0.00 37.83 33.51 3kak s LYS 143 CO 0.52 0.06 0.02 0.21 1.55 0.00 0.00 175.35 177.71 3kak s LYS 144 N -1.43 3.77 -0.52 4.03 2.47 -1.26 -4.95 119.74 121.85 3kak s LYS 144 Ca 0.47 -0.45 0.04 0.00 -1.56 0.00 0.00 55.97 54.46 3kak s LYS 144 Cb -0.34 -3.11 0.14 0.00 -1.46 0.00 0.00 37.83 33.05 3kak s LYS 144 CO 0.44 0.15 0.28 -1.21 0.16 0.00 0.00 175.35 175.17 3kak s GLU 145 N 0.67 1.87 0.14 4.03 0.41 -1.26 -4.98 118.70 119.58 3kak s GLU 145 Ca 0.01 -2.57 -0.10 0.00 -0.41 0.00 0.00 54.97 51.90 3kak s GLU 145 Cb -0.14 -3.09 -0.05 0.00 -1.78 0.00 0.00 34.13 29.07 3kak s GLU 145 CO 0.02 -1.15 1.42 -0.44 -0.49 0.00 0.00 175.26 174.62 3kak h ASP 146 N 6.40 0.89 -3.65 -0.19 3.32 -1.96 -3.39 116.42 117.84 3kak h ASP 146 Ca -0.03 -0.49 -0.69 0.00 0.02 0.00 0.00 57.03 55.83 3kak h ASP 146 Cb 0.88 -0.26 -0.20 0.00 0.22 0.00 0.00 39.33 39.98 3kak h ASP 146 CO 0.64 1.28 -0.47 -0.63 -1.72 0.00 0.00 179.24 178.34 3kak s ILE 147 N -4.05 5.26 -0.04 0.35 1.01 -1.26 -0.04 121.20 122.44 3kak s ILE 147 Ca -0.10 -0.35 0.07 0.00 0.00 0.00 0.00 60.65 60.27 3kak s ILE 147 Cb 0.10 -3.77 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 3kak s ILE 147 CO 0.88 -0.10 -0.25 -0.13 0.00 0.00 0.00 174.94 175.34 3kak s ARG 148 N 1.71 2.28 0.17 2.79 0.52 -0.96 -4.78 118.95 120.69 3kak s ARG 148 Ca 0.06 -0.91 0.00 0.00 -0.52 0.00 0.00 55.73 54.36 3kak s ARG 148 Cb -0.18 -2.07 -0.04 0.00 0.52 0.00 0.00 34.95 33.17 3kak s ARG 148 CO 0.10 0.47 0.05 0.00 0.02 0.00 0.00 175.30 175.95 3kak s MET 149 N -0.40 1.10 -0.06 3.54 0.23 -1.26 -1.70 119.30 120.74 3kak s MET 149 Ca 0.04 -1.55 -0.07 0.00 -1.03 0.00 0.00 55.69 53.08 3kak s MET 149 Cb -0.12 -0.03 0.02 0.00 -1.53 0.00 0.00 34.83 33.17 3kak s MET 149 CO 0.01 -0.23 0.19 0.20 -2.03 0.00 0.00 175.02 173.16 3kak s GLY 150 N -3.15 -0.13 -0.31 3.16 0.00 0.76 -4.56 107.32 103.09 3kak s GLY 150 Ca 0.28 0.48 0.03 0.00 0.00 0.00 0.00 44.72 45.50 3kak s GLY 150 CO 0.06 0.40 0.02 -0.42 0.00 0.00 0.00 173.10 173.15 3kak s ILE 151 N -0.05 1.94 0.41 0.90 1.01 -1.26 -1.45 121.20 122.70 3kak s ILE 151 Ca -0.01 -1.93 0.04 0.00 0.00 0.00 0.00 60.65 58.74 3kak s ILE 151 Cb -0.02 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 3kak s ILE 151 CO 0.00 -0.45 0.06 0.68 0.00 0.00 0.00 174.94 175.24 3kak s VAL 152 N 1.11 1.09 -0.26 2.92 -7.23 -0.37 -4.32 120.40 113.34 3kak s VAL 152 Ca 0.05 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.13 3kak s VAL 152 Cb -0.19 -2.53 0.11 0.00 0.56 0.00 0.00 36.38 34.34 3kak s VAL 152 CO -0.10 0.00 0.56 -0.60 -0.31 0.00 0.00 175.10 174.65 3kak s ARG 153 N -3.80 0.48 -0.36 4.82 3.52 0.50 -0.18 118.95 123.94 3kak s ARG 153 Ca 0.25 1.29 -0.16 0.00 -0.13 0.00 0.00 55.73 56.98 3kak s ARG 153 Cb 0.05 0.65 -0.00 0.00 -1.56 0.00 0.00 34.95 34.09 3kak s ARG 153 CO 0.13 -0.22 0.41 0.45 -0.81 0.00 0.00 175.30 175.26 3kak s SER 154 N 2.74 6.21 -0.12 -2.12 0.15 -0.40 -1.07 113.70 119.10 3kak s SER 154 Ca -0.05 -0.28 -0.15 0.00 0.70 0.00 0.00 55.95 56.18 3kak s SER 154 Cb -0.12 -2.22 -0.05 0.00 -1.71 0.00 0.00 66.02 61.93 3kak s SER 154 CO -0.17 -0.42 0.35 -1.81 1.20 0.00 0.00 173.24 172.39 3kak s ASP 155 N 1.76 6.56 0.16 5.45 1.01 -0.74 -1.74 116.67 129.12 3kak s ASP 155 Ca 0.13 0.66 0.06 0.00 0.71 0.00 0.00 52.55 54.11 3kak s ASP 155 Cb -0.16 -2.21 -0.04 0.00 1.01 0.00 0.00 42.92 41.51 3kak s ASP 155 CO 0.12 0.14 -0.12 -0.31 0.21 0.00 0.00 175.17 175.21 3kak s TYR 156 N 0.12 1.42 0.04 4.23 2.02 0.15 -0.74 117.35 124.60 3kak s TYR 156 Ca 0.20 -0.65 0.04 0.00 -0.37 0.00 0.00 57.07 56.29 3kak s TYR 156 Cb -0.14 -0.71 -0.02 0.00 -0.40 0.00 0.00 41.96 40.69 3kak s TYR 156 CO 0.07 0.17 -0.13 -1.64 -1.57 0.00 0.00 175.55 172.45 3kak s MET 157 N -3.41 0.85 -0.09 -0.62 -1.94 0.10 -2.11 119.30 112.08 3kak s MET 157 Ca 0.16 -0.75 -0.18 0.00 -1.71 0.00 0.00 55.69 53.21 3kak s MET 157 Cb -0.00 -0.83 -0.05 0.00 2.01 0.00 0.00 34.83 35.96 3kak s MET 157 CO 0.03 0.20 0.47 0.42 -0.01 0.00 0.00 175.02 176.13 3kak s ILE 158 N -0.92 5.13 -0.09 2.53 1.01 -1.26 0.18 121.20 127.77 3kak s ILE 158 Ca -0.00 0.95 -0.03 0.00 0.00 0.00 0.00 60.65 61.57 3kak s ILE 158 Cb -0.08 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 3kak s ILE 158 CO 0.01 0.38 0.02 -0.62 0.00 0.00 0.00 174.94 174.74 3kak s ASP 159 N 0.23 5.41 -0.02 3.58 2.15 -0.90 -3.07 116.67 124.05 3kak s ASP 159 Ca 0.26 0.19 0.05 0.00 0.43 0.00 0.00 52.55 53.47 3kak s ASP 159 Cb -0.16 -1.58 0.18 0.00 -0.30 0.00 0.00 42.92 41.06 3kak s ASP 159 CO 0.11 0.37 1.03 -0.62 -0.17 0.00 0.00 175.17 175.90 3kak n GLU 160 N 2.18 1.63 -4.16 4.34 -0.58 2.50 -3.44 120.64 123.12 3kak n GLU 160 Ca -0.19 -0.72 -0.10 0.00 -0.42 0.00 0.00 57.16 55.73 3kak n GLU 160 Cb 0.54 -1.33 -0.10 0.00 -0.57 0.00 0.00 31.44 29.97 3kak n GLU 160 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3kak s LYS 161 N -1.65 0.80 0.00 3.49 1.02 -1.26 -4.75 119.74 117.39 3kak s LYS 161 Ca 0.13 -1.31 0.00 0.00 0.02 0.00 0.00 55.97 54.81 3kak s LYS 161 Cb 0.08 -0.16 0.00 0.00 -0.52 0.00 0.00 37.83 37.23 3kak s LYS 161 CO 0.07 -0.03 0.00 -2.37 -0.92 0.00 0.00 175.35 172.10 3kak n THR 162 N 0.00 0.00 -3.51 2.17 5.66 -1.26 -4.44 114.28 112.90 3kak n THR 162 Ca -0.13 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.67 3kak n THR 162 Cb 0.61 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 69.42 3kak n THR 162 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3kak n LYS 163 N -1.74 -1.40 -4.28 1.09 4.01 -1.22 -5.01 118.16 109.61 3kak n LYS 163 Ca 0.00 0.81 -0.18 0.00 -0.51 0.00 0.00 58.31 58.43 3kak n LYS 163 Cb 0.00 -4.36 -0.13 0.00 -0.51 0.00 0.00 35.03 30.03 3kak n LYS 163 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 3kak s SER 164 N -3.25 1.26 -0.23 4.39 1.04 -1.25 -4.96 113.70 110.70 3kak s SER 164 Ca 0.27 -0.38 -0.29 0.00 0.48 0.00 0.00 55.95 56.03 3kak s SER 164 Cb -0.09 -0.08 -0.01 0.00 0.10 0.00 0.00 66.02 65.95 3kak s SER 164 CO 0.83 0.00 1.31 -0.22 0.98 0.00 0.00 173.24 176.14 3kak s LEU 165 N -0.93 4.02 -0.04 2.42 2.96 -1.26 -2.11 118.68 123.74 3kak s LEU 165 Ca -0.00 1.46 0.06 0.00 -0.22 0.00 0.00 54.13 55.44 3kak s LEU 165 Cb -0.07 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.07 3kak s LEU 165 CO 0.01 -0.95 -0.24 -0.76 -1.32 0.00 0.00 176.35 173.09 3kak s LEU 166 N 4.04 2.04 -0.01 -0.68 1.43 0.47 -4.25 118.68 121.73 3kak s LEU 166 Ca 0.57 -0.47 -0.30 0.00 -1.03 0.00 0.00 54.13 52.90 3kak s LEU 166 Cb -0.20 -1.28 -0.06 0.00 0.03 0.00 0.00 46.19 44.68 3kak s LEU 166 CO 0.20 0.26 1.53 -1.58 0.23 0.00 0.00 176.35 176.98 3kak s GLN 167 N -0.30 4.23 0.07 1.70 0.74 0.69 0.01 119.66 126.79 3kak s GLN 167 Ca 0.01 2.10 0.19 0.00 0.05 0.00 0.00 55.36 57.71 3kak s GLN 167 Cb -0.12 -3.70 -0.13 0.00 1.10 0.00 0.00 33.01 30.15 3kak s GLN 167 CO 0.02 -0.70 0.79 -0.89 -0.55 0.00 0.00 175.29 173.96 3kak n ILE 168 N 4.95 0.98 -3.64 -2.34 2.08 0.09 -4.72 119.36 116.74 3kak n ILE 168 Ca 0.15 -0.66 -0.02 0.00 0.56 0.00 0.00 62.75 62.78 3kak n ILE 168 Cb 0.43 -0.57 -0.05 0.00 -0.75 0.00 0.00 39.64 38.70 3kak n ILE 168 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 3kak s GLU 169 N -3.04 0.07 -0.17 0.38 2.56 -1.19 -5.02 118.70 112.29 3kak s GLU 169 Ca -0.03 0.03 -0.01 0.00 0.00 0.00 0.00 54.97 54.95 3kak s GLU 169 Cb 0.09 0.03 0.05 0.00 2.00 0.00 0.00 34.13 36.30 3kak s GLU 169 CO 0.82 -0.02 -0.02 1.41 -0.56 0.00 0.00 175.26 176.89 3kak s MET 170 N -0.84 1.08 -0.34 4.30 -2.45 -1.26 -1.79 119.30 118.00 3kak s MET 170 Ca 0.08 -0.43 -0.14 0.00 -1.25 0.00 0.00 55.69 53.96 3kak s MET 170 Cb -0.02 -1.93 -0.02 0.00 1.25 0.00 0.00 34.83 34.11 3kak s MET 170 CO -0.09 -0.49 0.28 -0.80 1.05 0.00 0.00 175.02 174.97 3kak s ASN 171 N 1.73 6.10 0.00 1.11 0.01 -0.23 -4.65 114.94 119.01 3kak s ASN 171 Ca 0.00 -0.35 0.14 0.00 -0.71 0.00 0.00 52.86 51.95 3kak s ASN 171 Cb -0.16 -2.16 -0.15 0.00 0.41 0.00 0.00 41.25 39.20 3kak s ASN 171 CO -0.07 -0.26 0.63 0.35 -1.51 0.00 0.00 177.10 176.23 3kak n THR 172 N 5.15 0.00 -3.76 1.60 -2.24 -1.26 -0.37 114.28 113.39 3kak n THR 172 Ca -0.12 -0.17 -0.13 0.00 -2.27 0.00 0.00 64.05 61.37 3kak n THR 172 Cb 0.50 1.01 -0.13 0.00 -2.10 0.00 0.00 70.33 69.61 3kak n THR 172 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3kak s ILE 173 N -2.33 -0.03 -1.37 2.28 2.07 -1.26 -4.52 121.20 116.04 3kak s ILE 173 Ca 0.06 0.10 -0.08 0.00 -1.41 0.00 0.00 60.65 59.31 3kak s ILE 173 Cb 0.11 -0.30 0.02 0.00 0.13 0.00 0.00 42.46 42.43 3kak s ILE 173 CO 0.58 0.04 1.10 -0.24 -1.91 0.00 0.00 174.94 174.51 3kak n SER 174 N 3.74 -5.24 -4.55 4.50 2.88 -1.25 -4.88 113.62 108.81 3kak n SER 174 Ca -0.21 -0.62 -0.40 0.00 -1.33 0.00 0.00 58.87 56.32 3kak n SER 174 Cb 0.55 -4.76 -0.03 0.00 -0.75 0.00 0.00 64.21 59.22 3kak n SER 174 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3kak s THR 175 N -3.34 3.51 0.54 2.46 -4.23 -1.26 -4.91 115.64 108.41 3kak s THR 175 Ca 0.50 0.31 -0.19 0.00 -1.18 0.00 0.00 61.69 61.13 3kak s THR 175 Cb -0.23 -4.30 -0.10 0.00 1.34 0.00 0.00 72.50 69.21 3kak s THR 175 CO 0.76 -1.24 0.51 -1.20 -0.54 0.00 0.00 174.62 172.90 3kak n SER 176 N 11.33 -1.09 0.00 3.99 7.64 -1.26 -4.55 113.62 129.68 3kak n SER 176 Ca 0.14 0.77 0.00 0.00 1.01 0.00 0.00 58.87 60.79 3kak n SER 176 Cb 0.51 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 3kak n SER 176 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3kak n PHE 177 N -1.51 0.00 -0.11 1.43 3.72 -1.26 -4.97 117.46 114.76 3kak n PHE 177 Ca 0.11 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.39 3kak n PHE 177 Cb 0.46 -0.37 -0.03 0.00 -0.94 0.00 0.00 39.48 38.60 3kak n PHE 177 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kak h ALA 178 N 0.00 0.49 0.13 4.37 0.00 -1.89 0.20 119.26 122.55 3kak h ALA 178 Ca 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3kak h ALA 178 Cb 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3kak h ALA 178 CO 0.00 0.44 -0.06 1.25 0.00 0.00 0.00 179.25 180.88 3kak h LEU 179 N 0.52 -0.14 -0.64 0.00 5.85 -1.91 -2.83 115.31 116.16 3kak h LEU 179 Ca 0.07 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.47 3kak h LEU 179 Cb 0.76 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 3kak h LEU 179 CO 0.06 0.29 0.41 0.40 -0.34 0.00 0.00 178.44 179.26 3kak h ILE 180 N -0.62 1.10 -0.48 4.05 2.04 -1.96 0.41 117.51 122.06 3kak h ILE 180 Ca -0.02 -0.28 0.06 0.00 1.00 0.00 0.00 64.86 65.63 3kak h ILE 180 Cb 0.48 0.23 -0.05 0.00 -0.74 0.00 0.00 36.82 36.73 3kak h ILE 180 CO 0.03 0.15 0.17 1.23 0.00 0.00 0.00 178.15 179.73 3kak h GLY 181 N 0.81 0.64 2.00 5.37 0.00 -0.72 -1.35 103.07 109.82 3kak h GLY 181 Ca 0.25 -0.09 -0.08 0.00 0.00 0.00 0.00 47.33 47.41 3kak h GLY 181 CO -0.09 0.01 -0.36 0.00 0.00 0.00 0.00 176.54 176.10 3kak h LEU 183 N 0.00 0.54 -1.07 0.00 3.38 -0.11 -1.91 115.31 116.14 3kak h LEU 183 Ca -0.00 -0.27 0.16 0.00 0.09 0.00 0.00 57.88 57.85 3kak h LEU 183 Cb 1.16 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.68 3kak h LEU 183 CO 0.05 0.67 0.62 0.24 0.09 0.00 0.00 178.44 180.11 3kak h MET 184 N 0.38 0.81 -0.48 1.13 2.86 -1.08 0.19 114.93 118.75 3kak h MET 184 Ca 0.10 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.71 3kak h MET 184 Cb 0.37 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 3kak h MET 184 CO 0.01 0.54 0.28 1.15 1.06 0.00 0.00 176.91 179.95 3kak h THR 185 N 0.84 1.05 0.31 2.22 2.02 -1.12 -1.63 112.91 116.59 3kak h THR 185 Ca 0.52 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.49 3kak h THR 185 Cb 0.72 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 3kak h THR 185 CO -0.30 0.10 -0.15 1.23 0.37 0.00 0.00 175.52 176.77 3kak h GLY 186 N 0.57 -0.44 -0.88 2.16 0.00 -0.16 -1.68 103.07 102.64 3kak h GLY 186 Ca 0.19 0.16 0.12 0.00 0.00 0.00 0.00 47.33 47.80 3kak h GLY 186 CO -0.09 -0.16 -0.46 -2.00 0.00 0.00 0.00 176.54 173.83 3kak h LEU 187 N -0.50 -1.68 -0.42 3.11 5.85 -0.73 -1.01 115.31 119.93 3kak h LEU 187 Ca -0.04 0.30 -0.18 0.00 0.84 0.00 0.00 57.88 58.80 3kak h LEU 187 Cb 0.37 0.80 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 3kak h LEU 187 CO 0.07 -0.28 -0.61 0.45 -0.34 0.00 0.00 178.44 177.73 3kak h HIS 188 N -0.05 0.77 -0.64 1.25 3.86 -1.14 -0.06 115.15 119.14 3kak h HIS 188 Ca 0.25 -0.29 0.04 0.00 -1.16 0.00 0.00 60.37 59.21 3kak h HIS 188 Cb 0.53 -0.14 -0.05 0.00 1.06 0.00 0.00 27.41 28.82 3kak h HIS 188 CO -0.88 1.05 0.37 0.87 0.86 0.00 0.00 177.93 180.20 3kak h LYS 189 N 0.44 0.69 0.02 2.45 1.57 -0.94 0.55 116.57 121.36 3kak h LYS 189 Ca -0.01 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3kak h LYS 189 Cb 1.18 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.33 3kak h LYS 189 CO 0.12 0.46 -0.01 1.03 -0.57 0.00 0.00 179.45 180.47 3kak h SER 190 N 0.71 -0.03 -0.59 0.86 0.87 -0.53 0.19 113.55 115.03 3kak h SER 190 Ca 0.27 -0.25 0.08 0.00 -1.23 0.00 0.00 61.79 60.66 3kak h SER 190 Cb 0.11 0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.01 3kak h SER 190 CO -0.15 0.23 0.26 -0.07 -0.53 0.00 0.00 176.83 176.57 3kak h LEU 191 N -0.29 0.31 -0.73 2.23 3.38 -1.01 -2.44 115.31 116.76 3kak h LEU 191 Ca -0.00 0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 3kak h LEU 191 Cb 0.27 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3kak h LEU 191 CO 0.01 0.20 -0.11 -0.07 0.09 0.00 0.00 178.44 178.55 3kak h LEU 192 N 0.47 0.85 -1.28 1.67 3.38 -0.55 0.41 115.31 120.26 3kak h LEU 192 Ca 0.28 -0.26 0.15 0.00 0.09 0.00 0.00 57.88 58.14 3kak h LEU 192 Cb 0.29 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 3kak h LEU 192 CO -0.25 0.98 0.58 0.28 0.09 0.00 0.00 178.44 180.11 3kak h SER 193 N 0.77 0.65 0.34 -0.43 0.02 -0.26 0.34 113.55 114.99 3kak h SER 193 Ca 0.13 0.04 -0.33 0.00 -0.84 0.00 0.00 61.79 60.79 3kak h SER 193 Cb 0.62 -0.09 0.02 0.00 0.14 0.00 0.00 62.40 63.09 3kak h SER 193 CO 0.04 0.33 -1.53 1.56 -1.14 0.00 0.00 176.83 176.09 3kak h GLN 194 N 0.69 0.40 0.00 3.45 4.20 -1.00 -3.42 115.11 119.44 3kak h GLN 194 Ca 0.45 -0.69 0.00 0.00 0.06 0.00 0.00 58.65 58.47 3kak h GLN 194 Cb 0.73 0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.77 3kak h GLN 194 CO -0.21 1.31 0.00 0.66 -0.67 0.00 0.00 178.83 179.92 3kak n TYR 195 N -3.60 0.00 -0.17 2.96 4.02 0.10 -4.82 117.16 115.65 3kak n TYR 195 Ca -0.18 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.71 3kak n TYR 195 Cb 1.07 0.00 0.24 0.00 -0.02 0.00 0.00 39.34 40.63 3kak n TYR 195 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3kak h GLY 196 N 0.00 0.96 0.00 2.72 0.00 -0.45 -1.40 103.07 104.91 3kak h GLY 196 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3kak h GLY 196 CO 0.00 0.41 0.00 0.58 0.00 0.00 0.00 176.54 177.53 3kak n LYS 197 N -4.37 0.00 -0.01 4.80 2.85 -1.26 0.23 118.16 120.41 3kak n LYS 197 Ca 0.06 0.04 -0.00 0.00 -1.05 0.00 0.00 58.31 57.36 3kak n LYS 197 Cb 0.11 -0.43 -0.00 0.00 -0.65 0.00 0.00 35.03 34.06 3kak n LYS 197 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3kak n PHE 198 N -0.09 -0.01 0.28 5.58 7.35 -1.24 -0.82 117.46 128.50 3kak n PHE 198 Ca 0.00 0.03 0.14 0.00 -0.76 0.00 0.00 57.45 56.86 3kak n PHE 198 Cb 0.00 -0.17 0.80 0.00 0.35 0.00 0.00 39.48 40.46 3kak n PHE 198 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3kak h LEU 199 N 0.00 0.00 0.00 -2.13 3.38 -0.81 -3.46 115.31 112.29 3kak h LEU 199 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kak h LEU 199 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3kak h LEU 199 CO -0.02 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.19 3kak n GLY 200 N -0.94 0.74 3.50 0.83 0.00 0.63 -5.04 105.19 104.93 3kak n GLY 200 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 3kak n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kak s LEU 201 N 0.00 2.83 -0.16 0.99 1.43 0.11 -4.98 118.68 118.91 3kak s LEU 201 Ca 0.00 -0.20 -0.05 0.00 -1.03 0.00 0.00 54.13 52.84 3kak s LEU 201 Cb 0.00 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 3kak s LEU 201 CO 0.00 0.32 0.03 0.21 0.23 0.00 0.00 176.35 177.14 3kak s ASN 202 N -0.96 5.36 0.42 2.29 3.04 -1.26 -4.00 114.94 119.83 3kak s ASN 202 Ca 0.13 0.05 0.20 0.00 0.04 0.00 0.00 52.86 53.27 3kak s ASN 202 Cb -0.11 -1.84 1.13 0.00 -1.54 0.00 0.00 41.25 38.89 3kak s ASN 202 CO 0.02 0.21 1.82 0.77 -3.04 0.00 0.00 177.10 176.89 3kak h SER 203 N 6.38 0.39 -0.34 -4.21 4.64 -1.86 -1.56 113.55 116.99 3kak h SER 203 Ca -0.38 0.05 0.14 0.00 -0.47 0.00 0.00 61.79 61.13 3kak h SER 203 Cb 1.18 -0.01 -0.06 0.00 -0.31 0.00 0.00 62.40 63.20 3kak h SER 203 CO 0.65 0.12 0.17 -3.20 -0.87 0.00 0.00 176.83 173.70 3kak n ASN 204 N -4.53 0.10 -0.45 4.97 5.15 -1.26 -1.61 115.26 117.63 3kak n ASN 204 Ca 0.22 0.56 0.11 0.00 -0.60 0.00 0.00 54.58 54.87 3kak n ASN 204 Cb 0.81 -0.27 0.06 0.00 -0.53 0.00 0.00 39.78 39.85 3kak n ASN 204 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3kak n ARG 205 N -3.80 1.14 -2.96 1.20 5.12 -0.59 -4.68 116.66 112.10 3kak n ARG 205 Ca 0.12 -0.91 -0.41 0.00 -1.93 0.00 0.00 57.85 54.72 3kak n ARG 205 Cb 0.42 -1.48 -0.05 0.00 -1.16 0.00 0.00 32.46 30.19 3kak n ARG 205 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3kak s VAL 206 N -2.49 4.89 0.19 1.55 0.11 -0.63 -1.39 120.40 122.64 3kak s VAL 206 Ca 0.19 1.45 -0.32 0.00 -2.93 0.00 0.00 61.98 60.38 3kak s VAL 206 Cb 0.18 -4.06 -0.12 0.00 -1.53 0.00 0.00 36.38 30.85 3kak s VAL 206 CO 0.57 -0.02 1.76 -2.65 -3.33 0.00 0.00 175.10 171.43 3kak n PRO 207 N 5.72 2.80 -1.60 1.54 -0.02 -1.26 -4.97 135.00 137.21 3kak n PRO 207 Ca 0.03 1.01 -0.44 0.00 -2.02 0.00 0.00 63.50 62.08 3kak n PRO 207 Cb 0.48 -2.87 -0.01 0.00 -0.02 0.00 0.00 33.50 31.08 3kak n PRO 207 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kak n ALA 208 N 4.39 -0.07 -3.70 3.55 0.00 -1.26 -4.96 120.51 118.46 3kak n ALA 208 Ca 0.16 0.39 -0.18 0.00 0.00 0.00 0.00 53.44 53.82 3kak n ALA 208 Cb 0.36 -2.04 -0.17 0.00 0.00 0.00 0.00 19.45 17.59 3kak n ALA 208 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3kak s ASN 209 N -0.52 0.70 -0.16 0.00 3.84 -1.26 -4.93 114.94 112.61 3kak s ASN 209 Ca 0.58 0.13 0.14 0.00 0.21 0.00 0.00 52.86 53.92 3kak s ASN 209 Cb -0.69 -0.03 0.38 0.00 -0.55 0.00 0.00 41.25 40.36 3kak s ASN 209 CO 0.60 -0.21 1.19 -0.46 -2.79 0.00 0.00 177.10 175.43 3kak n ASN 210 N 4.93 1.67 -0.27 -4.21 0.23 -1.26 -4.85 115.26 111.49 3kak n ASN 210 Ca -0.12 -3.43 0.03 0.00 -0.53 0.00 0.00 54.58 50.53 3kak n ASN 210 Cb 0.50 -0.47 0.16 0.00 -2.08 0.00 0.00 39.78 37.89 3kak n ASN 210 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3kak h ALA 211 N 0.77 1.09 -0.02 -2.53 0.00 -1.78 -2.67 119.26 114.13 3kak h ALA 211 Ca -0.03 0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.68 3kak h ALA 211 Cb 1.13 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.87 3kak h ALA 211 CO 0.01 0.00 -0.98 -0.24 0.00 0.00 0.00 179.25 178.05 3kak h VAL 212 N 0.67 1.31 -0.38 0.00 3.04 -1.87 -1.36 116.25 117.67 3kak h VAL 212 Ca 0.38 -2.27 -0.03 0.00 -1.01 0.00 0.00 66.70 63.78 3kak h VAL 212 Cb 0.41 2.34 -0.02 0.00 -2.01 0.00 0.00 31.29 32.01 3kak h VAL 212 CO -0.27 0.70 0.12 0.44 -1.01 0.00 0.00 177.57 177.54 3kak h ASP 213 N 0.36 0.56 -0.61 3.17 3.32 -1.87 -2.00 116.42 119.36 3kak h ASP 213 Ca -0.10 -0.21 0.03 0.00 0.02 0.00 0.00 57.03 56.76 3kak h ASP 213 Cb 1.62 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.99 3kak h ASP 213 CO 0.19 0.62 0.40 1.56 -1.72 0.00 0.00 179.24 180.28 3kak h GLN 214 N 0.47 0.72 0.54 3.56 1.08 -1.43 0.32 115.11 120.37 3kak h GLN 214 Ca 0.12 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.25 3kak h GLN 214 Cb 0.26 -0.16 0.01 0.00 -0.05 0.00 0.00 27.48 27.53 3kak h GLN 214 CO -0.00 0.48 -0.26 0.77 -0.95 0.00 0.00 178.83 178.86 3kak h SER 215 N 0.74 -0.61 -0.59 1.46 0.02 -0.92 -1.58 113.55 112.07 3kak h SER 215 Ca 0.24 -0.04 0.08 0.00 -0.84 0.00 0.00 61.79 61.23 3kak h SER 215 Cb 0.03 0.16 -0.07 0.00 0.14 0.00 0.00 62.40 62.67 3kak h SER 215 CO -0.06 -0.32 0.23 0.00 -1.14 0.00 0.00 176.83 175.54 3kak h ALA 216 N -0.55 0.75 -0.59 3.77 0.00 -1.24 -1.86 119.26 119.54 3kak h ALA 216 Ca -0.07 0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.03 3kak h ALA 216 Cb 0.62 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.35 3kak h ALA 216 CO 0.12 -0.18 0.02 1.49 0.00 0.00 0.00 179.25 180.70 3kak h GLU 217 N 0.41 0.14 -0.56 0.00 4.57 -0.37 0.38 114.58 119.14 3kak h GLU 217 Ca 0.29 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.41 3kak h GLU 217 Cb 0.33 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 3kak h GLU 217 CO -0.28 0.09 0.15 0.00 -1.18 0.00 0.00 179.01 177.79 3kak h ALA 218 N 1.52 0.74 -0.50 2.92 0.00 -0.50 -0.17 119.26 123.27 3kak h ALA 218 Ca 0.31 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3kak h ALA 218 Cb 0.48 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3kak h ALA 218 CO -0.48 0.43 -0.11 -0.07 0.00 0.00 0.00 179.25 179.02 3kak h LEU 219 N 0.80 0.97 -0.24 0.00 3.38 -0.70 -1.84 115.31 117.67 3kak h LEU 219 Ca 0.18 -0.36 0.05 0.00 0.09 0.00 0.00 57.88 57.84 3kak h LEU 219 Cb 0.32 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 3kak h LEU 219 CO -0.00 1.10 -0.07 0.00 0.09 0.00 0.00 178.44 179.56 3kak h ALA 220 N 0.90 0.15 -0.50 1.53 0.00 0.42 -1.55 119.26 120.21 3kak h ALA 220 Ca 0.13 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3kak h ALA 220 Cb 0.67 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3kak h ALA 220 CO 0.05 -0.48 -0.01 0.87 0.00 0.00 0.00 179.25 179.68 3kak h LYS 221 N -0.01 0.85 -0.36 0.00 1.57 -0.96 -1.95 116.57 115.70 3kak h LYS 221 Ca 0.12 -0.24 0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3kak h LYS 221 Cb 0.19 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 3kak h LYS 221 CO -0.26 0.86 0.16 0.00 -0.57 0.00 0.00 179.45 179.64 3kak h ALA 222 N 1.20 0.44 -0.59 3.86 0.00 -1.17 0.08 119.26 123.08 3kak h ALA 222 Ca 0.15 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3kak h ALA 222 Cb 0.49 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3kak h ALA 222 CO 0.02 -0.22 0.26 2.35 0.00 0.00 0.00 179.25 181.66 3kak h TRP 223 N 0.33 0.86 -0.82 0.00 7.01 -1.08 -2.52 115.95 119.72 3kak h TRP 223 Ca 0.16 -0.05 -0.02 0.00 2.11 0.00 0.00 58.89 61.09 3kak h TRP 223 Cb 0.10 -0.26 -0.04 0.00 -2.10 0.00 0.00 29.16 26.86 3kak h TRP 223 CO -0.12 0.68 0.43 1.03 -2.79 0.00 0.00 178.44 177.67 3kak h SER 224 N 0.80 1.04 0.31 2.65 0.87 -1.07 -2.28 113.55 115.87 3kak h SER 224 Ca 0.20 -0.10 -0.09 0.00 -1.23 0.00 0.00 61.79 60.57 3kak h SER 224 Cb 0.15 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 3kak h SER 224 CO -0.02 0.85 -0.38 -0.33 -0.53 0.00 0.00 176.83 176.42 3kak h GLU 225 N 1.16 0.10 -0.10 2.24 4.39 -0.63 -2.98 114.58 118.76 3kak h GLU 225 Ca 0.29 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.78 3kak h GLU 225 Cb 0.06 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 3kak h GLU 225 CO -0.04 0.46 -0.65 -0.92 -1.16 0.00 0.00 179.01 176.71 3kak h TYR 226 N 0.09 0.48 -0.51 4.33 5.03 -1.14 -3.47 116.97 121.77 3kak h TYR 226 Ca 0.01 -0.19 -0.08 0.00 2.58 0.00 0.00 58.73 61.04 3kak h TYR 226 Cb 0.71 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.90 3kak h TYR 226 CO 0.00 0.91 -0.10 -1.71 -1.32 0.00 0.00 178.16 175.95 3kak n ASN 227 N -3.87 -2.25 -4.16 -2.11 5.15 -0.89 -5.01 115.26 102.12 3kak n ASN 227 Ca -0.03 0.02 -0.38 0.00 -0.60 0.00 0.00 54.58 53.58 3kak n ASN 227 Cb 0.65 -1.36 -0.11 0.00 -0.53 0.00 0.00 39.78 38.43 3kak n ASN 227 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 3kak s ASN 228 N -2.84 5.42 0.59 1.20 3.84 -1.26 -4.97 114.94 116.92 3kak s ASN 228 Ca 0.00 -1.93 0.29 0.00 0.21 0.00 0.00 52.86 51.42 3kak s ASN 228 Cb 0.00 -1.90 1.55 0.00 -0.55 0.00 0.00 41.25 40.36 3kak s ASN 228 CO 0.00 -0.58 1.99 -0.65 -2.79 0.00 0.00 177.10 175.06 3kak h PRO 229 N 8.20 0.00 -0.06 0.43 0.11 -1.95 -1.82 132.00 136.92 3kak h PRO 229 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 3kak h PRO 229 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3kak h PRO 229 CO 0.75 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 179.08 3kak n ARG 230 N -3.76 2.27 -2.97 1.05 5.12 -1.26 -4.97 116.66 112.14 3kak n ARG 230 Ca 0.05 -1.85 -0.35 0.00 -1.93 0.00 0.00 57.85 53.77 3kak n ARG 230 Cb 0.51 -1.47 -0.06 0.00 -1.16 0.00 0.00 32.46 30.28 3kak n ARG 230 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kak s ALA 231 N -1.96 3.26 0.34 7.54 0.00 -0.69 -4.71 121.76 125.55 3kak s ALA 231 Ca 0.30 0.28 0.07 0.00 0.00 0.00 0.00 51.96 52.61 3kak s ALA 231 Cb 0.20 -2.97 -0.02 0.00 0.00 0.00 0.00 23.12 20.33 3kak s ALA 231 CO 0.30 0.25 0.38 0.00 0.00 0.00 0.00 175.76 176.69 3kak s ALA 232 N -1.78 4.05 -0.16 0.00 0.00 -0.13 -4.62 121.76 119.11 3kak s ALA 232 Ca 0.51 -1.59 -0.11 0.00 0.00 0.00 0.00 51.96 50.78 3kak s ALA 232 Cb -0.14 -1.39 -0.05 0.00 0.00 0.00 0.00 23.12 21.54 3kak s ALA 232 CO 0.19 -0.03 0.19 0.42 0.00 0.00 0.00 175.76 176.53 3kak s ILE 233 N -2.26 5.38 -0.32 0.00 1.01 0.16 -2.31 121.20 122.85 3kak s ILE 233 Ca 0.43 0.32 -0.14 0.00 0.00 0.00 0.00 60.65 61.27 3kak s ILE 233 Cb -0.07 -3.51 -0.02 0.00 0.01 0.00 0.00 42.46 38.86 3kak s ILE 233 CO 0.29 0.47 0.30 -0.22 0.00 0.00 0.00 174.94 175.78 3kak s LEU 234 N 0.06 4.35 -0.22 2.97 2.96 0.38 -0.87 118.68 128.31 3kak s LEU 234 Ca 0.12 -0.19 -0.09 0.00 -0.22 0.00 0.00 54.13 53.75 3kak s LEU 234 Cb -0.12 -2.26 -0.04 0.00 0.50 0.00 0.00 46.19 44.27 3kak s LEU 234 CO 0.01 -0.25 0.12 0.68 -1.32 0.00 0.00 176.35 175.60 3kak s VAL 235 N 1.90 5.08 -0.25 1.68 -7.23 0.11 -0.47 120.40 121.21 3kak s VAL 235 Ca 0.10 0.08 -0.12 0.00 -1.81 0.00 0.00 61.98 60.23 3kak s VAL 235 Cb -0.17 -3.34 -0.05 0.00 0.56 0.00 0.00 36.38 33.38 3kak s VAL 235 CO 0.11 0.39 0.21 -0.69 -0.31 0.00 0.00 175.10 174.81 3kak s VAL 236 N 0.85 5.31 0.04 1.32 1.01 -0.45 -2.21 120.40 126.27 3kak s VAL 236 Ca 0.06 0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.31 3kak s VAL 236 Cb -0.13 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 3kak s VAL 236 CO 0.03 0.29 -0.06 0.54 0.00 0.00 0.00 175.10 175.89 3kak s VAL 237 N 1.42 0.40 0.40 2.92 0.11 -1.01 0.10 120.40 124.74 3kak s VAL 237 Ca 0.09 -1.09 -0.12 0.00 -2.93 0.00 0.00 61.98 57.93 3kak s VAL 237 Cb -0.15 -0.58 -0.07 0.00 -1.53 0.00 0.00 36.38 34.05 3kak s VAL 237 CO 0.08 -0.47 0.78 -1.10 -3.33 0.00 0.00 175.10 171.06 3kak s GLN 238 N -1.74 3.82 0.29 1.54 -0.21 -1.26 -4.06 119.66 118.04 3kak s GLN 238 Ca -0.10 0.54 0.01 0.00 0.02 0.00 0.00 55.36 55.83 3kak s GLN 238 Cb -0.09 -2.37 0.54 0.00 1.00 0.00 0.00 33.01 32.10 3kak s GLN 238 CO -0.01 -0.03 1.86 0.28 -2.12 0.00 0.00 175.29 175.27 3kak h VAL 239 N 1.18 0.96 -3.32 1.09 2.07 -1.97 -3.37 116.25 112.90 3kak h VAL 239 Ca -0.47 -0.35 -0.66 0.00 0.82 0.00 0.00 66.70 66.04 3kak h VAL 239 Cb 1.19 -0.14 -0.30 0.00 -1.52 0.00 0.00 31.29 30.52 3kak h VAL 239 CO 0.64 0.18 -0.76 -0.70 0.02 0.00 0.00 177.57 176.95 3kak s GLU 240 N -5.94 3.26 -0.32 1.57 2.56 -1.26 -4.73 118.70 113.83 3kak s GLU 240 Ca -0.12 -0.69 -0.02 0.00 0.00 0.00 0.00 54.97 54.14 3kak s GLU 240 Cb 0.22 -2.90 0.12 0.00 2.00 0.00 0.00 34.13 33.56 3kak s GLU 240 CO 0.81 -0.21 0.16 -2.00 -0.56 0.00 0.00 175.26 173.46 3kak s GLU 241 N 1.42 0.38 0.42 4.30 2.56 0.48 -4.99 118.70 123.28 3kak s GLU 241 Ca 0.05 -0.89 0.23 0.00 0.00 0.00 0.00 54.97 54.36 3kak s GLU 241 Cb -0.14 -1.29 0.48 0.00 2.00 0.00 0.00 34.13 35.18 3kak s GLU 241 CO -0.06 -1.09 1.65 0.00 -0.56 0.00 0.00 175.26 175.20 3kak h ARG 242 N 7.84 0.00 -1.43 4.30 3.08 -1.81 -2.92 114.38 123.44 3kak h ARG 242 Ca -0.10 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.70 3kak h ARG 242 Cb 0.99 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.92 3kak h ARG 242 CO 0.38 0.15 0.33 -1.71 -1.07 0.00 0.00 179.97 178.04 3kak n ASN 243 N -3.16 5.43 0.24 7.04 5.15 -1.26 -1.00 115.26 127.69 3kak n ASN 243 Ca 0.03 -2.87 0.11 0.00 -0.60 0.00 0.00 54.58 51.25 3kak n ASN 243 Cb 0.54 -0.94 0.57 0.00 -0.53 0.00 0.00 39.78 39.41 3kak n ASN 243 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kak h MET 244 N 1.11 0.00 -0.47 1.20 -0.00 -1.88 -3.20 114.93 111.69 3kak h MET 244 Ca 0.25 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.86 3kak h MET 244 Cb 1.16 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.75 3kak h MET 244 CO 0.58 0.19 -0.06 1.88 -0.00 0.00 0.00 176.91 179.50 3kak h TYR 245 N 0.00 0.89 -0.60 -0.10 -1.99 -1.87 0.14 116.97 113.45 3kak h TYR 245 Ca -0.00 -0.15 0.12 0.00 2.00 0.00 0.00 58.73 60.70 3kak h TYR 245 Cb 0.59 -0.23 -0.09 0.00 2.00 0.00 0.00 36.73 38.99 3kak h TYR 245 CO 0.00 0.85 0.09 1.49 -0.00 0.00 0.00 178.16 180.59 3kak h GLU 246 N 0.75 0.21 -0.06 4.88 4.81 -1.88 -0.32 114.58 122.97 3kak h GLU 246 Ca 0.13 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.28 3kak h GLU 246 Cb 0.54 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.88 3kak h GLU 246 CO 0.03 0.14 -0.22 1.96 -0.73 0.00 0.00 179.01 180.19 3kak h GLN 247 N 0.22 0.26 -0.36 1.92 4.20 -1.11 -2.26 115.11 117.98 3kak h GLN 247 Ca 0.31 -0.20 0.10 0.00 0.06 0.00 0.00 58.65 58.93 3kak h GLN 247 Cb 0.48 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 3kak h GLN 247 CO -0.43 0.82 0.27 0.45 -0.67 0.00 0.00 178.83 179.28 3kak h HIS 248 N -0.25 0.00 -0.02 2.96 3.86 -0.75 -1.70 115.15 119.25 3kak h HIS 248 Ca -0.01 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.95 3kak h HIS 248 Cb 0.85 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.33 3kak h HIS 248 CO 0.13 0.00 -0.97 -0.92 0.86 0.00 0.00 177.93 177.03 3kak h TYR 249 N 0.00 0.91 -0.57 2.45 5.03 -0.61 -2.01 116.97 122.16 3kak h TYR 249 Ca 0.17 -0.48 -0.08 0.00 2.58 0.00 0.00 58.73 60.92 3kak h TYR 249 Cb 0.71 -0.11 -0.02 0.00 1.55 0.00 0.00 36.73 38.86 3kak h TYR 249 CO 0.00 1.31 0.05 0.82 -1.32 0.00 0.00 178.16 179.01 3kak h ILE 250 N 0.36 1.25 -0.09 1.81 2.04 -0.84 -2.12 117.51 119.93 3kak h ILE 250 Ca -0.10 -1.03 -0.06 0.00 1.00 0.00 0.00 64.86 64.66 3kak h ILE 250 Cb 1.61 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 3kak h ILE 250 CO 0.19 0.37 -0.23 0.28 0.00 0.00 0.00 178.15 178.76 3kak h SER 251 N 0.89 0.15 -0.35 1.72 0.02 -1.10 -1.88 113.55 112.99 3kak h SER 251 Ca 0.17 -0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.97 3kak h SER 251 Cb 0.46 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 3kak h SER 251 CO 0.02 0.39 -0.21 0.00 -1.14 0.00 0.00 176.83 175.89 3kak h ALA 252 N 1.62 0.50 -0.39 3.77 0.00 -1.16 0.29 119.26 123.89 3kak h ALA 252 Ca 0.02 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 3kak h ALA 252 Cb 0.50 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3kak h ALA 252 CO 0.03 0.46 0.15 -0.07 0.00 0.00 0.00 179.25 179.82 3kak h LEU 253 N 0.55 0.54 -0.30 0.00 3.38 -1.28 0.48 115.31 118.68 3kak h LEU 253 Ca 0.07 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 57.91 3kak h LEU 253 Cb 0.76 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 3kak h LEU 253 CO 0.06 0.57 0.06 -0.07 0.09 0.00 0.00 178.44 179.15 3kak h LEU 254 N 0.48 0.02 0.02 1.67 3.38 -1.25 0.15 115.31 119.78 3kak h LEU 254 Ca 0.13 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3kak h LEU 254 Cb 0.21 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3kak h LEU 254 CO -0.01 0.05 -0.01 -0.09 0.09 0.00 0.00 178.44 178.47 3kak h ARG 255 N 0.17 -0.03 0.19 1.13 2.43 -0.77 0.34 114.38 117.85 3kak h ARG 255 Ca 0.14 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 59.04 3kak h ARG 255 Cb 0.15 0.01 0.03 0.00 -0.42 0.00 0.00 29.97 29.73 3kak h ARG 255 CO -0.18 0.56 -1.24 0.93 -1.51 0.00 0.00 179.97 178.53 3kak h GLU 256 N -0.65 0.41 0.20 0.20 4.39 -0.10 -2.54 114.58 116.49 3kak h GLU 256 Ca -0.00 -0.69 -0.34 0.00 0.34 0.00 0.00 59.36 58.66 3kak h GLU 256 Cb 0.60 0.26 0.02 0.00 -0.10 0.00 0.00 28.75 29.53 3kak h GLU 256 CO 0.01 1.33 -1.63 -0.22 -1.16 0.00 0.00 179.01 177.34 3kak h LYS 257 N -0.11 0.42 -0.00 2.33 3.64 -0.81 -3.36 116.57 118.68 3kak h LYS 257 Ca -0.23 -0.72 0.00 0.00 -1.27 0.00 0.00 60.65 58.44 3kak h LYS 257 Cb 1.92 0.27 0.00 0.00 -0.41 0.00 0.00 32.23 34.00 3kak h LYS 257 CO 0.20 1.33 -0.53 0.72 -2.27 0.00 0.00 179.45 178.90 3kak n HIS 258 N -3.61 0.00 -3.54 1.91 8.25 -1.00 -5.00 115.22 112.23 3kak n HIS 258 Ca -0.21 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.06 3kak n HIS 258 Cb 1.08 0.00 0.07 0.00 1.12 0.00 0.00 29.99 32.26 3kak n HIS 258 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3kak n HIS 259 N -1.10 -2.21 -4.86 4.41 8.25 -0.04 -4.94 115.22 114.72 3kak n HIS 259 Ca 0.03 0.92 -0.26 0.00 -0.26 0.00 0.00 57.72 58.16 3kak n HIS 259 Cb 0.21 -4.86 -0.16 0.00 1.12 0.00 0.00 29.99 26.30 3kak n HIS 259 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3kak s ILE 260 N -3.43 1.44 0.27 1.59 1.01 0.10 -4.95 121.20 117.23 3kak s ILE 260 Ca 0.10 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 60.01 3kak s ILE 260 Cb -0.05 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 3kak s ILE 260 CO 0.76 0.41 0.45 -0.13 0.00 0.00 0.00 174.94 176.43 3kak s ARG 261 N -0.26 3.50 0.01 2.79 0.52 -1.26 -2.83 118.95 121.42 3kak s ARG 261 Ca 0.03 -0.41 -0.12 0.00 -0.52 0.00 0.00 55.73 54.71 3kak s ARG 261 Cb -0.09 -2.77 0.01 0.00 0.52 0.00 0.00 34.95 32.63 3kak s ARG 261 CO 0.00 0.30 0.25 -1.54 0.02 0.00 0.00 175.30 174.33 3kak s SER 262 N -3.67 -0.09 0.15 0.23 1.04 -1.26 0.38 113.70 110.48 3kak s SER 262 Ca 0.38 -0.11 0.08 0.00 0.48 0.00 0.00 55.95 56.78 3kak s SER 262 Cb -0.10 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.27 3kak s SER 262 CO 0.32 -0.48 -0.17 0.27 0.98 0.00 0.00 173.24 174.16 3kak s ILE 263 N -1.76 1.64 0.01 -1.02 -4.36 -0.05 -4.90 121.20 110.75 3kak s ILE 263 Ca -0.11 -1.85 0.05 0.00 -0.26 0.00 0.00 60.65 58.48 3kak s ILE 263 Cb -0.04 -1.74 -0.03 0.00 1.25 0.00 0.00 42.46 41.90 3kak s ILE 263 CO 0.01 -0.36 -0.13 0.00 0.24 0.00 0.00 174.94 174.70 3kak s ARG 264 N -2.77 2.33 -0.06 0.37 1.70 -1.26 0.05 118.95 119.31 3kak s ARG 264 Ca 0.13 -0.83 -0.23 0.00 -0.47 0.00 0.00 55.73 54.33 3kak s ARG 264 Cb -0.05 -2.33 0.05 0.00 -0.57 0.00 0.00 34.95 32.04 3kak s ARG 264 CO 0.05 0.58 0.52 0.15 -1.08 0.00 0.00 175.30 175.52 3kak s LYS 265 N -1.28 0.84 0.58 3.89 -0.14 -0.94 -4.96 119.74 117.74 3kak s LYS 265 Ca 0.15 0.17 -0.07 0.00 -1.36 0.00 0.00 55.97 54.86 3kak s LYS 265 Cb -0.11 0.39 -0.01 0.00 -1.68 0.00 0.00 37.83 36.42 3kak s LYS 265 CO 0.05 -0.23 0.91 0.95 -0.76 0.00 0.00 175.35 176.27 3kak s THR 266 N -1.00 4.16 0.21 2.17 -4.23 -1.26 -2.42 115.64 113.28 3kak s THR 266 Ca -0.10 0.25 -0.09 0.00 -1.18 0.00 0.00 61.69 60.58 3kak s THR 266 Cb -0.03 -3.64 0.15 0.00 1.34 0.00 0.00 72.50 70.32 3kak s THR 266 CO 0.06 -0.70 1.79 -0.07 -0.54 0.00 0.00 174.62 175.16 3kak h LEU 267 N -0.14 0.49 -1.12 4.79 3.38 -1.91 0.20 115.31 121.00 3kak h LEU 267 Ca -0.46 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.50 3kak h LEU 267 Cb 1.23 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 3kak h LEU 267 CO 0.62 0.30 -0.03 0.00 0.09 0.00 0.00 178.44 179.42 3kak h THR 268 N 0.63 1.22 -0.08 0.22 1.03 -1.92 -1.45 112.91 112.56 3kak h THR 268 Ca 0.31 -0.90 0.02 0.00 -0.01 0.00 0.00 66.41 65.84 3kak h THR 268 Cb 0.26 0.98 -0.00 0.00 -1.07 0.00 0.00 68.15 68.31 3kak h THR 268 CO -0.22 0.31 0.09 -0.33 -0.01 0.00 0.00 175.52 175.36 3kak h GLU 269 N 0.55 0.00 0.08 0.00 5.08 -1.34 -2.31 114.58 116.64 3kak h GLU 269 Ca 0.11 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 3kak h GLU 269 Cb 0.40 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.66 3kak h GLU 269 CO 0.02 0.00 -0.50 0.82 -1.00 0.00 0.00 179.01 178.35 3kak h ILE 270 N 0.00 1.60 -0.81 3.13 2.04 -0.55 -0.48 117.51 122.45 3kak h ILE 270 Ca 0.04 -2.45 0.16 0.00 1.00 0.00 0.00 64.86 63.61 3kak h ILE 270 Cb 0.23 3.25 -0.10 0.00 -0.74 0.00 0.00 36.82 39.46 3kak h ILE 270 CO -0.00 0.66 0.34 -0.78 0.00 0.00 0.00 178.15 178.38 3kak h ASP 271 N -0.65 0.33 0.44 1.72 3.58 -1.21 0.51 116.42 121.15 3kak h ASP 271 Ca -0.09 0.12 -0.28 0.00 0.42 0.00 0.00 57.03 57.19 3kak h ASP 271 Cb 1.37 0.08 0.02 0.00 1.72 0.00 0.00 39.33 42.52 3kak h ASP 271 CO 0.08 0.10 -1.25 1.56 -2.88 0.00 0.00 179.24 176.85 3kak h GLN 272 N 0.47 0.40 -0.01 0.28 4.20 -1.36 -3.37 115.11 115.73 3kak h GLN 272 Ca 0.45 -0.62 0.00 0.00 0.06 0.00 0.00 58.65 58.55 3kak h GLN 272 Cb 0.72 0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.72 3kak h GLN 272 CO -0.42 1.28 -0.17 0.39 -0.67 0.00 0.00 178.83 179.23 3kak n GLU 273 N -3.64 1.56 -4.60 1.46 1.02 -0.20 -5.03 120.64 111.21 3kak n GLU 273 Ca -0.11 -0.87 -0.27 0.00 -0.02 0.00 0.00 57.16 55.89 3kak n GLU 273 Cb 1.01 -1.18 -0.11 0.00 -0.02 0.00 0.00 31.44 31.13 3kak n GLU 273 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3kak s GLY 274 N -1.40 2.45 -0.07 0.62 0.00 0.18 -0.99 107.32 108.11 3kak s GLY 274 Ca 0.12 -2.27 -0.32 0.00 0.00 0.00 0.00 44.72 42.25 3kak s GLY 274 CO 0.26 -2.07 1.23 -1.59 0.00 0.00 0.00 173.10 170.93 3kak s LYS 275 N -3.72 0.43 -0.19 2.90 -2.85 -0.74 -4.87 119.74 110.70 3kak s LYS 275 Ca 0.35 -0.21 -0.09 0.00 -1.00 0.00 0.00 55.97 55.02 3kak s LYS 275 Cb 0.09 0.16 -0.05 0.00 -2.06 0.00 0.00 37.83 35.98 3kak s LYS 275 CO 0.18 -0.19 0.11 0.42 0.10 0.00 0.00 175.35 175.97 3kak s ILE 276 N -2.50 5.26 0.60 3.79 1.01 -1.26 -1.10 121.20 127.00 3kak s ILE 276 Ca 0.12 0.13 -0.09 0.00 0.00 0.00 0.00 60.65 60.82 3kak s ILE 276 Cb 0.02 -3.38 -0.02 0.00 0.01 0.00 0.00 42.46 39.09 3kak s ILE 276 CO -0.04 0.46 0.96 -0.76 0.00 0.00 0.00 174.94 175.57 3kak s LEU 277 N 0.22 3.25 0.53 2.97 1.43 -0.24 -4.89 118.68 121.96 3kak s LEU 277 Ca 0.08 1.10 0.23 0.00 -1.03 0.00 0.00 54.13 54.51 3kak s LEU 277 Cb -0.11 -4.03 1.37 0.00 0.03 0.00 0.00 46.19 43.44 3kak s LEU 277 CO -0.01 -0.95 2.03 -0.65 0.23 0.00 0.00 176.35 177.01 3kak h PRO 278 N -0.24 0.00 -0.01 1.29 0.11 -1.99 0.57 132.00 131.73 3kak h PRO 278 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kak h PRO 278 Cb 1.22 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3kak h PRO 278 CO 0.62 0.00 -0.07 -0.40 -0.21 0.00 0.00 178.00 177.94 3kak n ASP 279 N -4.42 1.33 0.00 -2.05 5.75 -1.26 -4.91 116.55 110.99 3kak n ASP 279 Ca 0.07 -1.32 0.00 0.00 -0.01 0.00 0.00 54.79 53.53 3kak n ASP 279 Cb 0.48 0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 3kak n ASP 279 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kak n GLY 280 N 1.22 0.45 3.76 6.12 0.00 0.20 -4.95 105.19 111.98 3kak n GLY 280 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3kak n GLY 280 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3kak s THR 281 N -2.00 2.60 0.25 2.61 -1.32 -1.25 -0.70 115.64 115.82 3kak s THR 281 Ca 0.00 0.54 -0.30 0.00 -1.21 0.00 0.00 61.69 60.73 3kak s THR 281 Cb 0.00 -3.34 -0.09 0.00 -1.51 0.00 0.00 72.50 67.55 3kak s THR 281 CO 0.00 0.10 1.22 -0.22 -2.21 0.00 0.00 174.62 173.51 3kak s LEU 282 N -0.97 4.47 -0.14 9.08 2.96 -1.26 -1.08 118.68 131.75 3kak s LEU 282 Ca 0.56 2.38 -0.01 0.00 -0.22 0.00 0.00 54.13 56.84 3kak s LEU 282 Cb -0.42 -3.62 0.04 0.00 0.50 0.00 0.00 46.19 42.68 3kak s LEU 282 CO 0.48 -0.37 -0.05 -0.55 -1.32 0.00 0.00 176.35 174.54 3kak s SER 283 N -0.27 2.50 -0.10 3.68 0.15 -0.26 -1.55 113.70 117.86 3kak s SER 283 Ca 0.50 -0.50 0.03 0.00 0.70 0.00 0.00 55.95 56.68 3kak s SER 283 Cb -0.35 -0.82 -0.01 0.00 -1.71 0.00 0.00 66.02 63.13 3kak s SER 283 CO 0.42 -0.17 -0.19 -0.69 1.20 0.00 0.00 173.24 173.80 3kak s VAL 284 N 1.71 2.50 -1.38 4.45 1.01 -0.34 -1.78 120.40 126.57 3kak s VAL 284 Ca 0.02 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 61.07 3kak s VAL 284 Cb -0.14 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.25 3kak s VAL 284 CO -0.08 0.55 0.41 -0.67 0.00 0.00 0.00 175.10 175.32 3kak n ASP 285 N 3.31 -1.06 -0.50 3.32 2.03 -0.16 -0.99 116.55 122.49 3kak n ASP 285 Ca -0.18 -1.09 -0.06 0.00 0.52 0.00 0.00 54.79 53.98 3kak n ASP 285 Cb 0.53 -2.70 -0.03 0.00 -0.72 0.00 0.00 41.12 38.20 3kak n ASP 285 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kak n GLY 286 N -2.07 0.58 3.65 0.27 0.00 -1.26 -5.00 105.19 101.36 3kak n GLY 286 Ca -0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 3kak n GLY 286 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kak s GLN 287 N -2.37 3.27 0.33 1.61 -0.21 -0.16 -5.11 119.66 117.01 3kak s GLN 287 Ca 0.00 -0.40 -0.26 0.00 0.02 0.00 0.00 55.36 54.72 3kak s GLN 287 Cb 0.00 -2.89 -0.10 0.00 1.00 0.00 0.00 33.01 31.02 3kak s GLN 287 CO 0.00 0.57 0.95 0.00 -2.12 0.00 0.00 175.29 174.69 3kak s ALA 288 N -0.50 3.20 -0.06 6.09 0.00 -1.26 -1.19 121.76 128.03 3kak s ALA 288 Ca 0.09 0.53 0.03 0.00 0.00 0.00 0.00 51.96 52.60 3kak s ALA 288 Cb -0.12 -3.19 0.01 0.00 0.00 0.00 0.00 23.12 19.82 3kak s ALA 288 CO 0.02 0.16 -0.14 0.42 0.00 0.00 0.00 175.76 176.22 3kak s ILE 289 N -1.63 1.27 -0.06 0.00 -1.09 -0.60 -0.95 121.20 118.14 3kak s ILE 289 Ca 0.51 -0.57 0.07 0.00 -2.23 0.00 0.00 60.65 58.43 3kak s ILE 289 Cb -0.18 -1.13 -0.10 0.00 -1.58 0.00 0.00 42.46 39.46 3kak s ILE 289 CO 0.24 0.38 0.07 -1.54 -1.23 0.00 0.00 174.94 172.85 3kak n SER 290 N 3.66 3.10 -4.04 3.58 3.41 -0.98 -4.12 113.62 118.24 3kak n SER 290 Ca -0.22 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.09 3kak n SER 290 Cb 0.52 0.87 -0.16 0.00 -0.26 0.00 0.00 64.21 65.17 3kak n SER 290 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kak s VAL 291 N -2.29 1.60 -0.34 -3.33 1.01 -1.26 -0.11 120.40 115.69 3kak s VAL 291 Ca -0.04 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.19 3kak s VAL 291 Cb 0.03 -1.49 0.02 0.00 0.00 0.00 0.00 36.38 34.94 3kak s VAL 291 CO 0.32 0.46 0.15 -0.69 0.00 0.00 0.00 175.10 175.35 3kak s VAL 292 N 1.36 4.36 -0.44 2.92 1.01 -0.82 -0.47 120.40 128.32 3kak s VAL 292 Ca 0.02 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.17 3kak s VAL 292 Cb -0.13 -3.34 0.09 0.00 0.00 0.00 0.00 36.38 33.00 3kak s VAL 292 CO -0.09 -0.08 0.29 -0.47 0.00 0.00 0.00 175.10 174.75 3kak s TYR 293 N 1.54 3.37 -0.08 5.22 5.04 0.38 0.65 117.35 133.47 3kak s TYR 293 Ca 0.02 -1.64 -0.30 0.00 -2.44 0.00 0.00 57.07 52.72 3kak s TYR 293 Cb -0.18 -3.13 -0.03 0.00 0.35 0.00 0.00 41.96 38.96 3kak s TYR 293 CO 0.05 -0.89 1.31 -0.06 -1.34 0.00 0.00 175.55 174.62 3kak s PHE 294 N 1.41 2.88 -0.06 4.97 0.08 -0.86 -1.35 117.98 125.05 3kak s PHE 294 Ca 0.04 0.96 0.09 0.00 0.12 0.00 0.00 56.93 58.13 3kak s PHE 294 Cb -0.24 -3.55 0.14 0.00 -0.57 0.00 0.00 43.02 38.80 3kak s PHE 294 CO 0.01 -1.95 1.03 0.54 -0.10 0.00 0.00 175.22 174.75 3kak n ARG 295 N 5.91 1.54 -3.67 0.44 5.12 0.28 -3.75 116.66 122.54 3kak n ARG 295 Ca 0.13 -1.86 -0.09 0.00 -1.93 0.00 0.00 57.85 54.09 3kak n ARG 295 Cb 0.45 -1.13 -0.02 0.00 -1.16 0.00 0.00 32.46 30.60 3kak n ARG 295 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kak s ALA 296 N -1.68 -1.35 0.00 7.54 0.00 -0.83 -4.34 121.76 121.10 3kak s ALA 296 Ca 0.15 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.14 3kak s ALA 296 Cb 0.13 0.87 0.00 0.00 0.00 0.00 0.00 23.12 24.12 3kak s ALA 296 CO 0.01 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.28 3kak n GLY 297 N -0.42 0.97 0.59 0.00 0.00 -1.26 -4.82 105.19 100.25 3kak n GLY 297 Ca -0.10 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 45.99 3kak n GLY 297 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3kak n TYR 298 N -2.04 0.00 -4.86 1.61 4.11 -1.26 -4.97 117.16 109.75 3kak n TYR 298 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.90 57.64 3kak n TYR 298 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 39.19 3kak n TYR 298 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.86 176.78 3kak s THR 299 N -2.17 1.62 0.55 -3.48 -1.32 -1.26 -5.00 115.64 104.58 3kak s THR 299 Ca 0.20 -0.99 0.32 0.00 -1.21 0.00 0.00 61.69 60.01 3kak s THR 299 Cb 0.17 -1.37 0.48 0.00 -1.51 0.00 0.00 72.50 70.27 3kak s THR 299 CO 0.45 0.36 1.85 -0.65 -2.21 0.00 0.00 174.62 174.42 3kak h PRO 300 N 5.35 0.00 0.00 7.08 0.11 -1.94 0.10 132.00 142.70 3kak h PRO 300 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3kak h PRO 300 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3kak h PRO 300 CO 0.46 0.00 0.00 0.87 -0.21 0.00 0.00 178.00 179.12 3kak h LYS 301 N 0.00 0.00 0.00 1.05 1.57 -2.00 0.57 116.57 117.76 3kak h LYS 301 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 3kak h LYS 301 Cb 1.77 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.08 3kak h LYS 301 CO -0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 3kak n ASP 302 N -2.50 0.01 -3.54 0.86 8.00 0.36 -4.26 116.55 115.48 3kak n ASP 302 Ca 0.00 0.50 -0.27 0.00 0.71 0.00 0.00 54.79 55.73 3kak n ASP 302 Cb 0.16 -0.50 -0.09 0.00 -0.02 0.00 0.00 41.12 40.66 3kak n ASP 302 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3kak n TYR 303 N -1.51 2.72 0.47 1.24 4.01 0.19 -4.90 117.16 119.38 3kak n TYR 303 Ca 0.07 -4.08 0.11 0.00 -0.16 0.00 0.00 57.90 53.84 3kak n TYR 303 Cb 0.34 -0.49 0.44 0.00 -0.31 0.00 0.00 39.34 39.31 3kak n TYR 303 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3kak n PRO 304 N 1.41 0.14 -1.38 -0.72 -0.04 -1.26 -4.92 135.00 128.23 3kak n PRO 304 Ca 0.26 0.34 -0.01 0.00 -0.04 0.00 0.00 63.50 64.05 3kak n PRO 304 Cb 0.41 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 3kak n PRO 304 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3kak n SER 305 N -2.00 -0.14 0.11 3.54 3.41 -1.26 -5.05 113.62 112.22 3kak n SER 305 Ca 0.03 -1.12 0.07 0.00 -0.26 0.00 0.00 58.87 57.59 3kak n SER 305 Cb 0.23 0.25 0.01 0.00 -0.26 0.00 0.00 64.21 64.43 3kak n SER 305 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3kak h GLU 306 N 0.00 0.00 -0.85 4.33 4.39 -2.00 -3.35 114.58 117.10 3kak h GLU 306 Ca -0.02 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.76 3kak h GLU 306 Cb 0.09 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 28.63 3kak h GLU 306 CO 0.03 0.14 -0.58 1.03 -1.16 0.00 0.00 179.01 178.47 3kak h SER 307 N 0.00 -2.08 0.47 1.42 0.87 -1.98 -1.49 113.55 110.77 3kak h SER 307 Ca -0.05 0.31 -0.07 0.00 -1.23 0.00 0.00 61.79 60.75 3kak h SER 307 Cb 1.21 0.91 -0.01 0.00 -0.44 0.00 0.00 62.40 64.06 3kak h SER 307 CO 0.02 -0.28 -0.33 -0.33 -0.53 0.00 0.00 176.83 175.38 3kak h GLU 308 N -0.10 0.00 -0.27 2.24 3.07 -1.82 -1.74 114.58 115.96 3kak h GLU 308 Ca 0.14 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.82 3kak h GLU 308 Cb 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 3kak h GLU 308 CO -0.85 0.33 -0.56 -1.49 -1.40 0.00 0.00 179.01 175.04 3kak h TRP 309 N 0.00 1.08 0.15 4.33 -0.00 -1.67 -1.68 115.95 118.15 3kak h TRP 309 Ca -0.00 -0.39 0.02 0.00 -0.00 0.00 0.00 58.89 58.51 3kak h TRP 309 Cb 0.66 -0.20 -0.04 0.00 -0.00 0.00 0.00 29.16 29.59 3kak h TRP 309 CO 0.00 1.22 -0.31 0.00 -0.00 0.00 0.00 178.44 179.36 3kak h ARG 310 N 0.63 -0.52 -0.57 0.49 3.08 -0.84 -1.51 114.38 115.12 3kak h ARG 310 Ca 0.01 0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.21 3kak h ARG 310 Cb 1.17 0.12 -0.09 0.00 0.08 0.00 0.00 29.97 31.25 3kak h ARG 310 CO 0.12 -0.35 0.04 0.00 -1.07 0.00 0.00 179.97 178.71 3kak h ALA 311 N 0.11 0.60 -0.36 0.04 0.00 -1.38 0.44 119.26 118.71 3kak h ALA 311 Ca 0.02 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3kak h ALA 311 Cb 0.56 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3kak h ALA 311 CO -0.16 -0.37 0.20 -0.09 0.00 0.00 0.00 179.25 178.83 3kak h ARG 312 N 0.16 0.51 -0.39 0.00 9.65 -1.19 -2.46 114.38 120.66 3kak h ARG 312 Ca 0.30 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 59.08 3kak h ARG 312 Cb 0.46 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.93 3kak h ARG 312 CO -0.46 0.42 0.11 1.25 2.80 0.00 0.00 179.97 184.09 3kak h LEU 313 N 0.46 0.58 0.04 3.80 5.85 -0.58 -2.41 115.31 123.05 3kak h LEU 313 Ca 0.13 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.65 3kak h LEU 313 Cb 0.06 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 3kak h LEU 313 CO -0.02 0.65 -0.17 0.25 -0.34 0.00 0.00 178.44 178.80 3kak h LEU 314 N 0.48 -0.50 -0.93 2.25 5.85 -0.06 -0.46 115.31 121.94 3kak h LEU 314 Ca 0.12 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.83 3kak h LEU 314 Cb 0.28 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3kak h LEU 314 CO -0.00 -0.24 -0.11 0.24 -0.34 0.00 0.00 178.44 177.98 3kak h MET 315 N -0.31 0.66 -0.03 1.25 2.86 -1.47 -2.68 114.93 115.21 3kak h MET 315 Ca 0.04 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.48 3kak h MET 315 Cb 0.36 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 3kak h MET 315 CO -0.14 0.75 0.01 1.49 1.06 0.00 0.00 176.91 180.09 3kak h GLU 316 N 0.60 0.04 0.00 1.72 4.57 -0.79 -2.57 114.58 118.15 3kak h GLU 316 Ca 0.11 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 3kak h GLU 316 Cb 0.54 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.13 3kak h GLU 316 CO 0.03 0.12 -0.05 1.96 -1.18 0.00 0.00 179.01 179.89 3kak h GLN 317 N -0.05 0.00 -7.40 1.92 4.20 -0.94 -3.45 115.11 109.39 3kak h GLN 317 Ca 0.01 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.25 3kak h GLN 317 Cb 0.09 0.00 0.14 0.00 0.30 0.00 0.00 27.48 28.01 3kak h GLN 317 CO -0.00 0.05 0.27 0.45 -0.67 0.00 0.00 178.83 178.93 3kak s SER 318 N -6.04 3.55 0.00 1.46 0.15 -0.97 -4.96 113.70 106.90 3kak s SER 318 Ca -0.04 1.25 0.31 0.00 0.70 0.00 0.00 55.95 58.17 3kak s SER 318 Cb 0.14 -1.92 1.65 0.00 -1.71 0.00 0.00 66.02 64.18 3kak s SER 318 CO 0.55 -2.56 2.11 -1.20 1.20 0.00 0.00 173.24 173.34 3kak n SER 319 N -3.81 0.02 -4.75 5.45 7.64 0.12 -4.89 113.62 113.41 3kak n SER 319 Ca 0.06 -0.48 -0.38 0.00 1.01 0.00 0.00 58.87 59.09 3kak n SER 319 Cb 0.57 -0.17 0.04 0.00 -1.01 0.00 0.00 64.21 63.63 3kak n SER 319 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kak s ALA 320 N -2.36 2.83 -0.08 -0.43 0.00 -1.26 -4.94 121.76 115.52 3kak s ALA 320 Ca 0.36 1.32 -0.30 0.00 0.00 0.00 0.00 51.96 53.34 3kak s ALA 320 Cb 0.21 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 3kak s ALA 320 CO 0.43 -1.34 1.52 0.42 0.00 0.00 0.00 175.76 176.79 3kak s ILE 321 N -1.31 3.79 0.04 0.00 -1.09 0.84 -4.90 121.20 118.57 3kak s ILE 321 Ca 0.71 0.98 -0.23 0.00 -2.23 0.00 0.00 60.65 59.88 3kak s ILE 321 Cb -0.40 -3.63 -0.06 0.00 -1.58 0.00 0.00 42.46 36.79 3kak s ILE 321 CO 0.47 -0.08 0.69 -0.54 -1.23 0.00 0.00 174.94 174.25 3kak s LYS 322 N 3.76 4.42 -0.78 2.79 3.01 -1.26 -1.94 119.74 129.73 3kak s LYS 322 Ca 0.67 0.93 -0.06 0.00 -1.01 0.00 0.00 55.97 56.50 3kak s LYS 322 Cb -0.30 -3.34 0.20 0.00 -1.01 0.00 0.00 37.83 33.38 3kak s LYS 322 CO 0.25 0.36 0.66 0.00 0.51 0.00 0.00 175.35 177.12 3kak s PRO 324 N -0.35 2.49 1.26 0.00 0.04 -1.26 -2.02 135.00 135.15 3kak s PRO 324 Ca 0.20 -1.52 -0.21 0.00 0.04 0.00 0.00 61.00 59.51 3kak s PRO 324 Cb -0.14 -2.65 0.31 0.00 0.04 0.00 0.00 34.50 32.06 3kak s PRO 324 CO -0.07 -0.63 1.09 0.95 0.04 0.00 0.00 177.00 178.38 3kak s THR 325 N -2.56 1.48 0.37 1.26 -4.23 -1.23 -4.81 115.64 105.91 3kak s THR 325 Ca 0.58 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 61.16 3kak s THR 325 Cb -0.07 -2.43 0.16 0.00 1.34 0.00 0.00 72.50 71.50 3kak s THR 325 CO 0.36 0.00 1.91 -0.29 -0.54 0.00 0.00 174.62 176.05 3kak h ILE 326 N -2.79 1.18 -0.45 2.99 6.09 -1.97 -2.78 117.51 119.77 3kak h ILE 326 Ca -0.43 -0.75 -0.02 0.00 -1.37 0.00 0.00 64.86 62.29 3kak h ILE 326 Cb 1.29 1.06 -0.02 0.00 0.47 0.00 0.00 36.82 39.63 3kak h ILE 326 CO 0.30 0.25 0.22 0.28 -3.07 0.00 0.00 178.15 176.12 3kak h SER 327 N 0.36 0.60 0.03 2.19 0.02 -1.91 -2.43 113.55 112.40 3kak h SER 327 Ca 0.08 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3kak h SER 327 Cb 0.33 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.72 3kak h SER 327 CO 0.01 0.56 -0.01 1.88 -1.14 0.00 0.00 176.83 178.13 3kak h TYR 328 N 0.59 -0.03 -0.94 3.45 -1.99 -1.88 -0.75 116.97 115.42 3kak h TYR 328 Ca 0.16 -0.00 0.18 0.00 2.00 0.00 0.00 58.73 61.06 3kak h TYR 328 Cb 0.12 0.01 -0.17 0.00 2.00 0.00 0.00 36.73 38.69 3kak h TYR 328 CO -0.01 0.03 -0.27 1.25 -0.00 0.00 0.00 178.16 179.16 3kak h HIS 329 N -0.08 -0.64 -0.72 4.88 2.76 -1.31 -2.40 115.15 117.63 3kak h HIS 329 Ca -0.00 0.09 -0.04 0.00 -2.20 0.00 0.00 60.37 58.22 3kak h HIS 329 Cb 0.07 0.43 -0.03 0.00 1.55 0.00 0.00 27.41 29.43 3kak h HIS 329 CO -0.06 -0.41 0.29 -0.07 -1.30 0.00 0.00 177.93 176.39 3kak h LEU 330 N -0.01 0.97 -2.03 0.26 3.38 -0.69 -0.94 115.31 116.25 3kak h LEU 330 Ca 0.42 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 3kak h LEU 330 Cb 0.67 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3kak h LEU 330 CO -0.97 0.85 -0.09 0.58 0.09 0.00 0.00 178.44 178.91 3kak h VAL 331 N 1.04 0.50 0.00 1.22 2.07 -0.73 -3.02 116.25 117.33 3kak h VAL 331 Ca 0.24 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.33 3kak h VAL 331 Cb 0.18 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3kak h VAL 331 CO -0.02 0.09 -1.00 0.61 0.02 0.00 0.00 177.57 177.26 3kak n GLY 332 N -0.76 -1.16 3.55 2.17 0.00 -0.37 -3.84 105.19 104.78 3kak n GLY 332 Ca -0.02 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 3kak n GLY 332 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kak n THR 333 N -1.82 1.80 -0.15 2.61 -2.24 -1.13 -4.70 114.28 108.65 3kak n THR 333 Ca 0.02 -0.31 -0.09 0.00 -2.27 0.00 0.00 64.05 61.40 3kak n THR 333 Cb 0.41 -0.91 -0.07 0.00 -2.10 0.00 0.00 70.33 67.66 3kak n THR 333 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3kak h LYS 334 N -0.66 -0.19 -0.61 -0.78 3.64 -1.94 -1.41 116.57 114.63 3kak h LYS 334 Ca -0.46 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.06 3kak h LYS 334 Cb 1.32 0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 33.09 3kak h LYS 334 CO 0.43 -0.13 0.02 -0.22 -2.27 0.00 0.00 179.45 177.28 3kak h LYS 335 N -0.20 0.13 0.12 1.90 1.63 -1.94 -0.69 116.57 117.52 3kak h LYS 335 Ca 0.07 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 3kak h LYS 335 Cb 0.37 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 3kak h LYS 335 CO -0.47 0.09 -0.06 0.82 -3.45 0.00 0.00 179.45 176.37 3kak h ILE 336 N 0.13 1.07 -0.96 2.00 1.08 -1.82 -2.38 117.51 116.63 3kak h ILE 336 Ca 0.32 -1.09 0.23 0.00 -0.39 0.00 0.00 64.86 63.93 3kak h ILE 336 Cb 0.51 1.72 -0.18 0.00 -3.07 0.00 0.00 36.82 35.80 3kak h ILE 336 CO -0.51 0.25 -0.09 1.56 -0.69 0.00 0.00 178.15 178.67 3kak h GLN 337 N -0.70 0.01 0.05 2.37 1.08 -1.10 -0.48 115.11 116.33 3kak h GLN 337 Ca -0.02 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3kak h GLN 337 Cb 0.53 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.95 3kak h GLN 337 CO 0.03 0.01 -0.06 1.96 -0.95 0.00 0.00 178.83 179.82 3kak h GLN 338 N 0.01 -0.12 -0.65 1.46 4.20 -1.17 -3.35 115.11 115.49 3kak h GLN 338 Ca 0.53 0.01 0.08 0.00 0.06 0.00 0.00 58.65 59.33 3kak h GLN 338 Cb 0.98 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.72 3kak h GLN 338 CO -0.94 -0.08 0.31 1.49 -0.67 0.00 0.00 178.83 178.95 3kak h GLU 339 N -0.12 0.54 0.00 1.46 4.57 -0.55 -1.01 114.58 119.47 3kak h GLU 339 Ca 0.01 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3kak h GLU 339 Cb 0.13 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3kak h GLU 339 CO -0.03 0.36 -0.00 -0.07 -1.18 0.00 0.00 179.01 178.09 3kak h LEU 340 N 0.55 0.00 0.06 1.64 3.38 -1.58 -3.17 115.31 116.20 3kak h LEU 340 Ca 0.31 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 58.00 3kak h LEU 340 Cb 0.31 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.08 3kak h LEU 340 CO -0.25 0.00 -1.18 0.00 0.09 0.00 0.00 178.44 177.11 3kak h ALA 341 N 2.00 0.07 -2.11 1.53 0.00 -1.32 -3.20 119.26 116.23 3kak h ALA 341 Ca -0.00 -0.76 -0.54 0.00 0.00 0.00 0.00 54.91 53.61 3kak h ALA 341 Cb 0.01 0.08 0.22 0.00 0.00 0.00 0.00 17.79 18.10 3kak h ALA 341 CO 0.00 0.72 -1.08 1.63 0.00 0.00 0.00 179.25 180.52 3kak n LYS 342 N -3.78 -0.15 -2.11 0.00 5.02 -1.15 -4.70 118.16 111.29 3kak n LYS 342 Ca -0.12 -0.02 -0.40 0.00 -2.02 0.00 0.00 58.31 55.75 3kak n LYS 342 Cb 0.96 -1.51 -0.02 0.00 -0.02 0.00 0.00 35.03 34.44 3kak n LYS 342 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3kak s PRO 343 N -2.93 4.21 0.00 1.97 0.04 -1.26 -3.94 135.00 133.09 3kak s PRO 343 Ca 0.51 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.71 3kak s PRO 343 Cb -0.21 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.39 3kak s PRO 343 CO 0.73 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.89 3kak n GLY 344 N 0.74 1.97 0.34 0.56 0.00 -1.26 -4.81 105.19 102.74 3kak n GLY 344 Ca 0.01 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 45.79 3kak n GLY 344 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kak h VAL 345 N 0.00 0.07 -0.01 1.61 2.07 -1.81 -0.57 116.25 117.61 3kak h VAL 345 Ca 0.00 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3kak h VAL 345 Cb 0.00 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 29.82 3kak h VAL 345 CO 0.00 0.00 0.09 0.25 0.02 0.00 0.00 177.57 177.93 3kak h LEU 346 N 0.02 0.00 0.00 2.57 7.12 -1.77 -2.71 115.31 120.54 3kak h LEU 346 Ca 0.52 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 58.49 3kak h LEU 346 Cb 0.97 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.10 3kak h LEU 346 CO -0.91 0.00 -0.47 -0.33 -0.13 0.00 0.00 178.44 176.60 3kak h GLU 347 N 0.00 0.00 -0.13 1.25 3.07 -1.39 -3.23 114.58 114.15 3kak h GLU 347 Ca 0.00 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.73 3kak h GLU 347 Cb 0.19 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 3kak h GLU 347 CO -0.00 0.18 -0.49 0.00 -1.40 0.00 0.00 179.01 177.30 3kak h ARG 348 N 0.00 0.33 -0.39 2.33 3.08 -1.58 -3.27 114.38 114.89 3kak h ARG 348 Ca -0.02 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.85 3kak h ARG 348 Cb 1.18 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3kak h ARG 348 CO 0.02 0.75 0.00 1.19 -1.07 0.00 0.00 179.97 180.87 3kak n PHE 349 N -3.96 0.50 -3.82 3.04 3.01 -1.24 -4.97 117.46 110.02 3kak n PHE 349 Ca -0.02 -0.30 -0.13 0.00 1.01 0.00 0.00 57.45 58.00 3kak n PHE 349 Cb 0.55 -0.01 -0.15 0.00 -0.01 0.00 0.00 39.48 39.86 3kak n PHE 349 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3kak s VAL 350 N -1.26 -0.03 -0.18 -4.37 1.01 -1.22 -4.83 120.40 109.53 3kak s VAL 350 Ca 0.34 0.11 -0.16 0.00 0.00 0.00 0.00 61.98 62.27 3kak s VAL 350 Cb 0.20 -0.05 -0.06 0.00 0.00 0.00 0.00 36.38 36.47 3kak s VAL 350 CO 0.27 0.04 -0.30 -0.62 0.00 0.00 0.00 175.10 174.49 3kak n GLU 351 N 3.62 0.51 -1.55 2.72 -0.58 -1.26 -4.77 120.64 119.33 3kak n GLU 351 Ca -0.20 0.29 -0.57 0.00 -0.42 0.00 0.00 57.16 56.27 3kak n GLU 351 Cb 0.55 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.84 3kak n GLU 351 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3kak n ASN 352 N -4.49 1.93 0.17 1.62 4.05 -1.26 -4.86 115.26 112.42 3kak n ASN 352 Ca -0.14 0.81 0.12 0.00 0.45 0.00 0.00 54.58 55.82 3kak n ASN 352 Cb 0.48 -1.11 0.17 0.00 1.23 0.00 0.00 39.78 40.55 3kak n ASN 352 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 177.26 174.32 3kak h LYS 353 N 8.94 0.00 -0.50 1.20 1.57 -1.98 -0.42 116.57 125.38 3kak h LYS 353 Ca -0.34 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.48 3kak h LYS 353 Cb 1.34 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.61 3kak h LYS 353 CO 1.00 0.00 0.27 -0.44 -0.57 0.00 0.00 179.45 179.71 3kak h ASP 354 N 0.00 0.40 0.57 0.86 3.45 -1.99 -1.05 116.42 118.65 3kak h ASP 354 Ca 0.00 0.02 -0.19 0.00 0.43 0.00 0.00 57.03 57.29 3kak h ASP 354 Cb 0.94 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 39.65 3kak h ASP 354 CO 0.00 0.28 -0.85 0.45 -1.57 0.00 0.00 179.24 177.54 3kak h HIS 355 N 0.52 0.29 -0.39 4.55 3.86 -1.71 0.15 115.15 122.42 3kak h HIS 355 Ca 0.21 -0.16 -0.09 0.00 -1.16 0.00 0.00 60.37 59.18 3kak h HIS 355 Cb 0.10 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 3kak h HIS 355 CO -0.09 0.96 -0.11 0.82 0.86 0.00 0.00 177.93 180.37 3kak h ILE 356 N 0.11 1.25 -0.38 2.45 2.04 -1.14 -2.51 117.51 119.33 3kak h ILE 356 Ca -0.04 -1.12 -0.06 0.00 1.00 0.00 0.00 64.86 64.64 3kak h ILE 356 Cb 1.47 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 3kak h ILE 356 CO 0.13 0.38 0.01 0.00 0.00 0.00 0.00 178.15 178.67 3kak h ALA 357 N 1.25 0.51 -0.98 1.87 0.00 0.38 -1.70 119.26 120.59 3kak h ALA 357 Ca 0.11 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.79 3kak h ALA 357 Cb 0.55 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3kak h ALA 357 CO 0.03 0.27 0.65 0.87 0.00 0.00 0.00 179.25 181.07 3kak h LYS 358 N 0.49 1.28 -0.02 0.00 1.57 -0.79 -0.56 116.57 118.53 3kak h LYS 358 Ca 0.11 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 3kak h LYS 358 Cb 0.45 -0.29 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3kak h LYS 358 CO 0.02 0.85 -0.22 -0.07 -0.57 0.00 0.00 179.45 179.45 3kak h LEU 359 N 1.32 0.23 -0.38 2.94 3.38 -1.42 -2.91 115.31 118.48 3kak h LEU 359 Ca 0.36 -0.72 0.05 0.00 0.09 0.00 0.00 57.88 57.67 3kak h LEU 359 Cb -0.13 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 3kak h LEU 359 CO -0.08 0.91 0.09 0.03 0.09 0.00 0.00 178.44 179.48 3kak h ARG 360 N -0.43 0.22 -1.00 1.13 2.47 -0.95 0.16 114.38 115.99 3kak h ARG 360 Ca -0.02 -0.01 0.34 0.00 -1.26 0.00 0.00 59.98 59.03 3kak h ARG 360 Cb 0.93 -0.05 -0.16 0.00 -1.65 0.00 0.00 29.97 29.04 3kak h ARG 360 CO 0.05 0.15 0.54 0.00 0.56 0.00 0.00 179.97 181.26 3kak h ALA 361 N 1.27 1.98 -0.02 0.04 0.00 -1.14 0.31 119.26 121.70 3kak h ALA 361 Ca 0.18 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3kak h ALA 361 Cb 0.19 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3kak h ALA 361 CO -0.22 -0.67 -0.23 0.00 0.00 0.00 0.00 179.25 178.13 3kak s PHE 363 N -2.26 3.20 0.07 0.00 0.08 0.51 -0.22 117.98 119.35 3kak s PHE 363 Ca 0.25 1.32 -0.22 0.00 0.12 0.00 0.00 56.93 58.39 3kak s PHE 363 Cb 0.19 -3.35 -0.06 0.00 -0.57 0.00 0.00 43.02 39.23 3kak s PHE 363 CO 0.44 -0.92 0.67 0.00 -0.10 0.00 0.00 175.22 175.31 3kak s ALA 364 N 2.97 3.49 -0.04 5.36 0.00 -1.26 -4.91 121.76 127.37 3kak s ALA 364 Ca 0.49 0.17 -0.26 0.00 0.00 0.00 0.00 51.96 52.36 3kak s ALA 364 Cb -0.19 -2.81 -0.13 0.00 0.00 0.00 0.00 23.12 19.99 3kak s ALA 364 CO 0.13 0.26 0.72 0.41 0.00 0.00 0.00 175.76 177.28 3kak n GLY 365 N 1.98 -0.14 3.20 0.00 0.00 -1.26 -4.48 105.19 104.48 3kak n GLY 365 Ca -0.07 0.50 -0.12 0.00 0.00 0.00 0.00 46.02 46.34 3kak n GLY 365 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kak s LEU 366 N 0.24 0.23 0.00 0.99 1.43 -1.25 0.13 118.68 120.45 3kak s LEU 366 Ca 0.59 0.74 -0.03 0.00 -1.03 0.00 0.00 54.13 54.40 3kak s LEU 366 Cb -0.83 1.13 0.01 0.00 0.03 0.00 0.00 46.19 46.53 3kak s LEU 366 CO 0.38 -0.17 0.23 0.79 0.23 0.00 0.00 176.35 177.82 3kak n TRP 367 N 3.95 -1.21 -2.21 0.29 8.01 0.66 -3.98 117.44 122.95 3kak n TRP 367 Ca -0.22 -0.71 -0.02 0.00 -1.31 0.00 0.00 57.50 55.25 3kak n TRP 367 Cb 0.55 0.27 0.00 0.00 -2.01 0.00 0.00 31.31 30.12 3kak n TRP 367 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 3kak n SER 368 N -1.48 -5.39 -1.12 -0.99 2.88 -1.26 -3.56 113.62 102.70 3kak n SER 368 Ca -0.02 0.63 0.11 0.00 -1.33 0.00 0.00 58.87 58.26 3kak n SER 368 Cb 0.20 -3.46 0.24 0.00 -0.75 0.00 0.00 64.21 60.44 3kak n SER 368 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3kak n LEU 369 N 0.11 3.52 0.00 2.46 4.77 -1.26 -4.83 117.00 121.77 3kak n LEU 369 Ca 0.02 -1.76 0.00 0.00 -0.03 0.00 0.00 56.01 54.24 3kak n LEU 369 Cb 0.09 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 3kak n LEU 369 CO 0.26 0.83 0.00 -0.62 -1.33 0.00 0.00 177.39 176.53 3kak n GLU 370 N 1.37 0.00 -2.17 3.23 1.02 -1.26 -5.18 120.64 117.65 3kak n GLU 370 Ca 0.20 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.98 3kak n GLU 370 Cb 0.57 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 32.00 3kak n GLU 370 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3kak s ASP 371 N 0.00 5.69 -0.65 1.62 3.68 -1.26 -4.93 116.67 120.83 3kak s ASP 371 Ca 0.00 2.31 -0.03 0.00 2.13 0.00 0.00 52.55 56.96 3kak s ASP 371 Cb 0.00 -2.60 0.21 0.00 -1.45 0.00 0.00 42.92 39.08 3kak s ASP 371 CO 0.00 -1.25 2.39 -1.54 0.13 0.00 0.00 175.17 174.90 3kak n SER 372 N -1.11 7.01 0.00 -0.34 3.41 -1.26 -3.04 113.62 118.29 3kak n SER 372 Ca 0.11 -3.52 0.00 0.00 -0.26 0.00 0.00 58.87 55.20 3kak n SER 372 Cb 0.49 -1.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.30 3kak n SER 372 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3kak n ASP 373 N 0.15 0.00 -4.77 4.04 -0.08 -1.26 -4.70 116.55 109.93 3kak n ASP 373 Ca 0.51 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 53.47 3kak n ASP 373 Cb 0.40 0.00 0.07 0.00 2.34 0.00 0.00 41.12 43.93 3kak n ASP 373 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 3kak s ILE 374 N 0.00 3.28 0.00 5.18 -1.09 -1.17 -3.43 121.20 123.96 3kak s ILE 374 Ca 0.00 0.49 0.00 0.00 -2.23 0.00 0.00 60.65 58.91 3kak s ILE 374 Cb 0.00 -2.99 0.00 0.00 -1.58 0.00 0.00 42.46 37.89 3kak s ILE 374 CO 0.00 -0.46 0.00 0.52 -1.23 0.00 0.00 174.94 173.77 3kak n VAL 375 N -3.03 0.00 0.00 2.92 0.31 -1.26 -3.51 118.33 113.76 3kak n VAL 375 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 3kak n VAL 375 Cb 0.52 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 3kak n VAL 375 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3kak n LYS 376 N 0.00 0.00 0.00 5.55 0.00 -1.26 0.33 118.16 122.78 3kak n LYS 376 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 3kak n LYS 376 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 35.03 34.77 3kak n LYS 376 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3kak n LYS 377 N -0.12 0.33 0.00 1.64 5.02 -1.22 -2.00 118.16 121.81 3kak n LYS 377 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3kak n LYS 377 Cb 0.00 -1.05 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 3kak n LYS 377 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kak n ALA 378 N -0.25 1.47 0.14 7.82 0.00 -1.22 -3.73 120.51 124.75 3kak n ALA 378 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 3kak n ALA 378 Cb 0.02 0.09 0.11 0.00 0.00 0.00 0.00 19.45 19.68 3kak n ALA 378 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3kak h ILE 379 N 0.00 1.00 0.03 0.00 2.04 -0.01 -2.56 117.51 118.02 3kak h ILE 379 Ca 0.00 -2.16 -0.23 0.00 1.00 0.00 0.00 64.86 63.47 3kak h ILE 379 Cb 0.29 2.32 -0.02 0.00 -0.74 0.00 0.00 36.82 38.67 3kak h ILE 379 CO 0.00 0.52 -1.12 1.05 0.00 0.00 0.00 178.15 178.60 3kak h GLU 380 N 0.00 0.07 -1.54 2.37 4.11 -1.35 -3.38 114.58 114.86 3kak h GLU 380 Ca -0.01 -0.13 -0.47 0.00 0.07 0.00 0.00 59.36 58.82 3kak h GLU 380 Cb 1.28 0.05 -0.41 0.00 0.50 0.00 0.00 28.75 30.17 3kak h GLU 380 CO 0.07 1.03 -1.02 0.09 0.07 0.00 0.00 179.01 179.25 3kak n ASN 381 N -3.38 2.46 0.00 3.06 3.02 -1.24 -4.95 115.26 114.22 3kak n ASN 381 Ca -0.04 -3.15 0.04 0.00 -0.03 0.00 0.00 54.58 51.41 3kak n ASN 381 Cb 0.97 -0.54 0.21 0.00 -0.61 0.00 0.00 39.78 39.81 3kak n ASN 381 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3kak n PRO 382 N -0.10 0.07 0.16 3.52 -0.04 -0.96 -1.01 135.00 136.64 3kak n PRO 382 Ca 0.23 0.27 0.13 0.00 -0.04 0.00 0.00 63.50 64.08 3kak n PRO 382 Cb 0.68 -1.50 0.55 0.00 -0.04 0.00 0.00 33.50 33.20 3kak n PRO 382 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3kak h GLU 383 N 0.00 0.00 0.00 0.54 3.07 -1.93 -3.34 114.58 112.93 3kak h GLU 383 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3kak h GLU 383 Cb 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 3kak h GLU 383 CO 0.00 0.00 0.00 -0.11 -1.40 0.00 0.00 179.01 177.50 3kak n LEU 384 N -2.36 0.36 0.00 1.33 7.94 -0.18 -4.89 117.00 119.21 3kak n LEU 384 Ca 0.01 0.24 0.00 0.00 -1.11 0.00 0.00 56.01 55.15 3kak n LEU 384 Cb 0.19 -0.40 0.00 0.00 0.53 0.00 0.00 43.42 43.74 3kak n LEU 384 CO 0.18 -0.40 0.00 0.49 -1.11 0.00 0.00 177.39 176.55 3kak n PHE 385 N -1.94 0.00 0.00 1.96 3.01 -1.25 -3.19 117.46 116.05 3kak n PHE 385 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3kak n PHE 385 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 3kak n PHE 385 CO 0.00 0.00 0.00 1.55 1.01 0.00 0.00 176.76 179.32 3kak n VAL 386 N 0.00 0.00 0.00 -4.37 3.14 -1.25 -4.39 118.33 111.46 3kak n VAL 386 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3kak n VAL 386 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3kak n VAL 386 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 3kak n MET 387 N -0.23 0.00 -4.23 1.45 2.81 -1.26 -4.23 117.12 111.43 3kak n MET 387 Ca 0.00 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.75 3kak n MET 387 Cb 0.00 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 32.41 3kak n MET 387 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 3kak s LYS 388 N -0.34 1.33 0.00 0.03 0.00 -1.26 -4.90 119.74 114.59 3kak s LYS 388 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 55.97 54.25 3kak s LYS 388 Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 37.83 38.02 3kak s LYS 388 CO 0.00 -0.42 0.00 -0.35 0.00 0.00 0.00 175.35 174.58 3kak n PRO 389 N -0.37 0.00 0.00 1.78 -0.04 -1.26 -5.10 135.00 130.02 3kak n PRO 389 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 3kak n PRO 389 Cb 0.65 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.11 3kak n PRO 389 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3kak n GLN 390 N 0.00 0.00 -3.41 0.54 0.00 -1.26 -5.25 117.38 108.00 3kak n GLN 390 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.00 56.80 3kak n GLN 390 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 30.24 30.29 3kak n GLN 390 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.06 179.54 3kak n TYR 421 N 0.00 -2.30 0.00 3.69 4.11 -1.26 -5.20 117.16 116.20 3kak n TYR 421 Ca 0.00 0.73 0.00 0.00 -0.00 0.00 0.00 57.90 58.63 3kak n TYR 421 Cb 0.00 -3.82 0.00 0.00 -0.00 0.00 0.00 39.34 35.52 3kak n TYR 421 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.86 178.37 3kak n ILE 422 N -3.41 0.00 -4.12 -3.48 0.13 -1.26 -4.93 119.36 102.29 3kak n ILE 422 Ca -0.08 0.00 -0.23 0.00 -1.10 0.00 0.00 62.75 61.35 3kak n ILE 422 Cb 0.60 0.00 -0.17 0.00 -0.84 0.00 0.00 39.64 39.23 3kak n ILE 422 CO 0.00 0.00 0.00 -0.22 2.80 0.00 0.00 176.55 179.13 3kak s LEU 423 N 0.00 1.22 0.10 9.51 2.96 -1.23 -4.65 118.68 126.59 3kak s LEU 423 Ca 0.00 -0.18 0.04 0.00 -0.22 0.00 0.00 54.13 53.77 3kak s LEU 423 Cb 0.00 -0.59 -0.04 0.00 0.50 0.00 0.00 46.19 46.06 3kak s LEU 423 CO 0.00 -0.08 -0.10 -0.32 -1.32 0.00 0.00 176.35 174.53 3kak s MET 424 N 1.22 0.88 0.56 1.98 -2.45 -1.25 -0.25 119.30 120.00 3kak s MET 424 Ca -0.06 -1.19 -0.19 0.00 -1.25 0.00 0.00 55.69 53.00 3kak s MET 424 Cb -0.14 -0.58 -0.05 0.00 1.25 0.00 0.00 34.83 35.31 3kak s MET 424 CO -0.02 0.09 1.16 -1.14 1.05 0.00 0.00 175.02 176.16 3kak s GLN 425 N -2.87 3.22 0.23 4.11 0.74 0.36 -3.75 119.66 121.69 3kak s GLN 425 Ca 0.07 1.70 -0.20 0.00 0.05 0.00 0.00 55.36 56.97 3kak s GLN 425 Cb -0.02 -1.98 -0.08 0.00 1.10 0.00 0.00 33.01 32.02 3kak s GLN 425 CO 0.00 -0.98 0.75 0.50 -0.55 0.00 0.00 175.29 175.01 3kak s ARG 426 N -3.30 4.29 -0.29 1.67 3.52 -1.19 -4.81 118.95 118.84 3kak s ARG 426 Ca 0.74 0.92 -0.10 0.00 -0.13 0.00 0.00 55.73 57.17 3kak s ARG 426 Cb -0.26 -2.87 -0.02 0.00 -1.56 0.00 0.00 34.95 30.24 3kak s ARG 426 CO 0.29 0.38 0.14 0.96 -0.81 0.00 0.00 175.30 176.27 3kak s ILE 427 N -1.54 4.69 -0.56 4.11 -4.36 -1.26 -4.94 121.20 117.34 3kak s ILE 427 Ca 0.44 -0.25 0.03 0.00 -0.26 0.00 0.00 60.65 60.61 3kak s ILE 427 Cb -0.17 -3.32 0.14 0.00 1.25 0.00 0.00 42.46 40.36 3kak s ILE 427 CO 0.21 0.16 0.32 -0.36 0.24 0.00 0.00 174.94 175.51 3kak s PHE 428 N 1.64 3.27 0.38 1.37 0.40 -1.26 -5.01 117.98 118.76 3kak s PHE 428 Ca 0.05 -3.13 -0.25 0.00 -0.60 0.00 0.00 56.93 53.01 3kak s PHE 428 Cb -0.16 -2.87 -0.09 0.00 0.51 0.00 0.00 43.02 40.40 3kak s PHE 428 CO 0.07 -0.74 1.02 -1.25 0.70 0.00 0.00 175.22 175.02 3kak s PRO 429 N -0.41 4.30 0.42 0.24 0.04 -1.26 0.59 135.00 138.92 3kak s PRO 429 Ca 0.18 1.45 -0.24 0.00 0.04 0.00 0.00 61.00 62.43 3kak s PRO 429 Cb -0.23 -2.61 -0.11 0.00 0.04 0.00 0.00 34.50 31.60 3kak s PRO 429 CO -0.02 -0.01 0.92 0.00 0.04 0.00 0.00 177.00 177.93 3kak n ALA 430 N 0.10 -0.17 -2.60 8.56 0.00 -1.18 -4.61 120.51 120.63 3kak n ALA 430 Ca 0.04 0.22 -0.29 0.00 0.00 0.00 0.00 53.44 53.41 3kak n ALA 430 Cb 0.50 -2.02 -0.09 0.00 0.00 0.00 0.00 19.45 17.83 3kak n ALA 430 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3kak s THR 431 N -1.30 3.45 -0.00 0.00 -1.32 -1.26 -4.53 115.64 110.66 3kak s THR 431 Ca 0.63 -1.29 -0.05 0.00 -1.21 0.00 0.00 61.69 59.77 3kak s THR 431 Cb -0.57 -2.64 -0.00 0.00 -1.51 0.00 0.00 72.50 67.78 3kak s THR 431 CO 0.57 0.07 0.10 -0.94 -2.21 0.00 0.00 174.62 172.20 3kak s SER 432 N -2.35 0.04 0.37 8.08 1.04 -0.62 -4.96 113.70 115.31 3kak s SER 432 Ca 0.23 -0.17 -0.26 0.00 0.48 0.00 0.00 55.95 56.22 3kak s SER 432 Cb -0.11 0.19 -0.09 0.00 0.10 0.00 0.00 66.02 66.11 3kak s SER 432 CO 0.15 -0.28 1.11 -2.16 0.98 0.00 0.00 173.24 173.04 3kak s PRO 433 N -1.08 4.22 0.05 4.02 0.04 -1.26 -1.94 135.00 139.04 3kak s PRO 433 Ca -0.12 1.72 -0.11 0.00 0.04 0.00 0.00 61.00 62.54 3kak s PRO 433 Cb -0.07 -2.75 0.01 0.00 0.04 0.00 0.00 34.50 31.74 3kak s PRO 433 CO 0.01 -0.14 0.23 0.00 0.04 0.00 0.00 177.00 177.14 3kak s ALA 434 N -1.44 -0.46 -0.20 8.56 0.00 -0.21 -4.51 121.76 123.49 3kak s ALA 434 Ca 0.54 -0.22 -0.09 0.00 0.00 0.00 0.00 51.96 52.19 3kak s ALA 434 Cb -0.28 0.33 -0.05 0.00 0.00 0.00 0.00 23.12 23.12 3kak s ALA 434 CO 0.35 -0.40 0.12 0.42 0.00 0.00 0.00 175.76 176.25 3kak s ILE 435 N -2.73 5.20 -0.05 0.00 -1.09 -1.26 -1.44 121.20 119.82 3kak s ILE 435 Ca -0.04 0.12 0.05 0.00 -2.23 0.00 0.00 60.65 58.55 3kak s ILE 435 Cb -0.00 -3.38 -0.02 0.00 -1.58 0.00 0.00 42.46 37.48 3kak s ILE 435 CO -0.05 0.42 -0.19 -0.76 -1.23 0.00 0.00 174.94 173.14 3kak s LEU 436 N 0.55 2.47 -0.08 2.97 1.43 0.19 -0.91 118.68 125.30 3kak s LEU 436 Ca 0.06 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 3kak s LEU 436 Cb -0.12 -1.48 0.01 0.00 0.03 0.00 0.00 46.19 44.63 3kak s LEU 436 CO 0.00 0.31 -0.13 -0.69 0.23 0.00 0.00 176.35 176.07 3kak s VAL 437 N -0.52 1.23 -0.25 -1.59 1.01 -0.18 -1.26 120.40 118.85 3kak s VAL 437 Ca 0.07 -0.52 -0.14 0.00 0.00 0.00 0.00 61.98 61.39 3kak s VAL 437 Cb -0.11 -1.13 0.08 0.00 0.00 0.00 0.00 36.38 35.21 3kak s VAL 437 CO 0.01 0.38 0.61 -0.60 0.00 0.00 0.00 175.10 175.50 3kak s ARG 438 N 0.76 0.62 -1.63 2.72 3.52 0.65 -1.97 118.95 123.62 3kak s ARG 438 Ca -0.13 1.13 -0.16 0.00 -0.13 0.00 0.00 55.73 56.44 3kak s ARG 438 Cb -0.16 0.15 0.12 0.00 -1.56 0.00 0.00 34.95 33.51 3kak s ARG 438 CO 0.03 -0.16 0.88 -3.47 -0.81 0.00 0.00 175.30 171.77 3kak n ASP 439 N 4.40 -4.02 0.00 -2.12 4.64 -1.26 -0.66 116.55 117.52 3kak n ASP 439 Ca -0.20 -0.90 0.00 0.00 -1.38 0.00 0.00 54.79 52.31 3kak n ASP 439 Cb 0.57 -3.29 0.00 0.00 -1.04 0.00 0.00 41.12 37.36 3kak n ASP 439 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3kak n GLY 440 N -1.54 0.58 3.57 0.27 0.00 -1.26 -5.01 105.19 101.80 3kak n GLY 440 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 3kak n GLY 440 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kak s ASN 441 N -2.47 4.51 0.12 1.61 0.01 0.16 -5.10 114.94 113.78 3kak s ASN 441 Ca 0.00 -0.11 0.09 0.00 -0.71 0.00 0.00 52.86 52.13 3kak s ASN 441 Cb 0.00 -1.06 -0.04 0.00 0.41 0.00 0.00 41.25 40.56 3kak s ASN 441 CO 0.00 0.32 -0.21 -1.66 -1.51 0.00 0.00 177.10 174.05 3kak s TRP 442 N -0.88 2.47 0.12 2.20 1.48 -1.26 -0.25 118.94 122.82 3kak s TRP 442 Ca 0.14 -0.30 -0.06 0.00 -1.06 0.00 0.00 56.10 54.83 3kak s TRP 442 Cb -0.11 -1.33 -0.02 0.00 -1.16 0.00 0.00 33.47 30.86 3kak s TRP 442 CO 0.04 0.36 0.16 0.34 -4.06 0.00 0.00 176.95 173.79 3kak s ASP 443 N -2.08 0.19 0.44 -2.66 2.15 -0.39 -4.98 116.67 109.35 3kak s ASP 443 Ca 0.17 -0.89 -0.09 0.00 0.43 0.00 0.00 52.55 52.16 3kak s ASP 443 Cb -0.10 0.34 -0.06 0.00 -0.30 0.00 0.00 42.92 42.80 3kak s ASP 443 CO 0.09 -0.76 0.80 0.42 -0.17 0.00 0.00 175.17 175.54 3kak s THR 444 N -3.94 4.80 -0.22 1.71 -4.23 -1.26 -0.64 115.64 111.86 3kak s THR 444 Ca 0.13 0.55 -0.30 0.00 -1.18 0.00 0.00 61.69 60.90 3kak s THR 444 Cb 0.05 -3.77 0.16 0.00 1.34 0.00 0.00 72.50 70.28 3kak s THR 444 CO -0.05 -0.64 1.17 -0.83 -0.54 0.00 0.00 174.62 173.73 3kak s GLY 445 N -3.44 -0.10 -0.15 3.99 0.00 -0.52 -4.91 107.32 102.18 3kak s GLY 445 Ca 0.51 2.39 -0.06 0.00 0.00 0.00 0.00 44.72 47.56 3kak s GLY 445 CO 0.36 1.05 0.04 0.30 0.00 0.00 0.00 173.10 174.85 3kak s HIS 446 N -1.11 3.24 0.12 1.90 3.76 -1.26 -1.05 115.29 120.89 3kak s HIS 446 Ca 0.03 0.10 0.02 0.00 -0.15 0.00 0.00 55.06 55.06 3kak s HIS 446 Cb -0.01 -1.98 -0.04 0.00 1.11 0.00 0.00 32.58 31.66 3kak s HIS 446 CO -0.03 0.27 -0.04 0.14 -0.85 0.00 0.00 174.74 174.23 3kak s VAL 447 N -0.07 0.65 0.08 -0.90 -7.23 -0.82 -4.40 120.40 107.71 3kak s VAL 447 Ca 0.06 -1.94 0.09 0.00 -1.81 0.00 0.00 61.98 58.37 3kak s VAL 447 Cb -0.12 -1.81 -0.03 0.00 0.56 0.00 0.00 36.38 34.97 3kak s VAL 447 CO 0.01 -0.75 -0.23 0.27 -0.31 0.00 0.00 175.10 174.09 3kak s ILE 448 N -3.66 1.92 0.03 -0.62 -4.36 -0.19 -1.59 121.20 112.73 3kak s ILE 448 Ca 0.16 -1.47 0.08 0.00 -0.26 0.00 0.00 60.65 59.16 3kak s ILE 448 Cb 0.06 -1.69 -0.03 0.00 1.25 0.00 0.00 42.46 42.05 3kak s ILE 448 CO -0.02 0.14 -0.24 -0.44 0.24 0.00 0.00 174.94 174.62 3kak s SER 449 N -1.60 3.36 -0.14 4.36 0.01 -1.26 -0.75 113.70 117.68 3kak s SER 449 Ca 0.10 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.84 3kak s SER 449 Cb -0.10 -0.40 0.02 0.00 0.21 0.00 0.00 66.02 65.75 3kak s SER 449 CO 0.03 0.27 -0.14 -0.70 0.41 0.00 0.00 173.24 173.11 3kak s GLU 450 N -1.20 2.25 -0.22 12.44 2.12 0.22 -4.77 118.70 129.55 3kak s GLU 450 Ca 0.12 -0.54 -0.21 0.00 0.36 0.00 0.00 54.97 54.70 3kak s GLU 450 Cb -0.10 -2.06 -0.02 0.00 0.26 0.00 0.00 34.13 32.21 3kak s GLU 450 CO 0.02 -0.22 0.66 0.00 -0.54 0.00 0.00 175.26 175.18 3kak s ALA 451 N 1.45 3.58 -0.43 6.30 0.00 -0.90 0.74 121.76 132.50 3kak s ALA 451 Ca 0.04 -0.30 -0.13 0.00 0.00 0.00 0.00 51.96 51.57 3kak s ALA 451 Cb -0.13 -3.04 0.06 0.00 0.00 0.00 0.00 23.12 20.01 3kak s ALA 451 CO -0.10 -0.68 0.32 0.20 0.00 0.00 0.00 175.76 175.50 3kak s GLY 452 N 1.30 2.00 -0.47 0.00 0.00 0.14 0.34 107.32 110.64 3kak s GLY 452 Ca 0.29 -2.00 -0.23 0.00 0.00 0.00 0.00 44.72 42.78 3kak s GLY 452 CO 0.09 0.98 0.80 -0.42 0.00 0.00 0.00 173.10 174.56 3kak s ILE 453 N 1.58 4.62 0.64 0.90 -1.09 -0.71 0.22 121.20 127.35 3kak s ILE 453 Ca 0.04 0.33 -0.18 0.00 -2.23 0.00 0.00 60.65 58.60 3kak s ILE 453 Cb -0.22 -4.36 -0.01 0.00 -1.58 0.00 0.00 42.46 36.28 3kak s ILE 453 CO 0.06 -0.80 1.24 -0.36 -1.23 0.00 0.00 174.94 173.85 3kak s PHE 454 N 3.36 2.20 0.02 3.97 0.08 -0.94 -1.27 117.98 125.40 3kak s PHE 454 Ca 0.29 1.52 0.02 0.00 0.12 0.00 0.00 56.93 58.87 3kak s PHE 454 Cb -0.13 -3.57 -0.01 0.00 -0.57 0.00 0.00 43.02 38.74 3kak s PHE 454 CO 0.21 -2.58 -0.06 0.20 -0.10 0.00 0.00 175.22 172.89 3kak s GLY 455 N -1.59 0.36 -0.04 4.36 0.00 0.75 -1.35 107.32 109.80 3kak s GLY 455 Ca 0.79 -0.47 0.06 0.00 0.00 0.00 0.00 44.72 45.09 3kak s GLY 455 CO 0.38 -0.48 -0.22 -0.51 0.00 0.00 0.00 173.10 172.27 3kak s THR 456 N -0.74 1.76 -0.04 0.90 -4.23 0.18 -1.23 115.64 112.24 3kak s THR 456 Ca -0.04 -0.92 -0.04 0.00 -1.18 0.00 0.00 61.69 59.51 3kak s THR 456 Cb -0.06 -1.49 0.01 0.00 1.34 0.00 0.00 72.50 72.30 3kak s THR 456 CO 0.00 0.50 0.12 -0.47 -0.54 0.00 0.00 174.62 174.23 3kak s TYR 457 N -0.17 -0.11 -0.22 3.99 6.14 -0.53 -2.20 117.35 124.24 3kak s TYR 457 Ca -0.01 0.28 -0.18 0.00 0.64 0.00 0.00 57.07 57.80 3kak s TYR 457 Cb -0.12 0.03 0.06 0.00 0.42 0.00 0.00 41.96 42.36 3kak s TYR 457 CO 0.02 -0.08 0.57 -1.17 0.64 0.00 0.00 175.55 175.53 3kak s LEU 458 N -0.07 -0.33 0.06 6.97 2.96 -0.23 -0.17 118.68 127.86 3kak s LEU 458 Ca -0.01 1.19 -0.15 0.00 -0.22 0.00 0.00 54.13 54.94 3kak s LEU 458 Cb -0.02 1.96 0.02 0.00 0.50 0.00 0.00 46.19 48.66 3kak s LEU 458 CO 0.00 -0.21 0.33 0.00 -1.32 0.00 0.00 176.35 175.16 3kak s ARG 459 N 0.72 0.87 -0.25 1.98 1.70 -0.69 0.03 118.95 123.31 3kak s ARG 459 Ca -0.03 -0.52 -0.03 0.00 -0.47 0.00 0.00 55.73 54.68 3kak s ARG 459 Cb -0.05 0.38 0.08 0.00 -0.57 0.00 0.00 34.95 34.79 3kak s ARG 459 CO -0.05 -0.29 0.08 1.21 -1.08 0.00 0.00 175.30 175.17 3kak s ASN 460 N -2.18 3.31 1.80 -2.89 3.84 0.98 -2.26 114.94 117.54 3kak s ASN 460 Ca -0.04 -1.14 0.00 0.00 0.21 0.00 0.00 52.86 51.89 3kak s ASN 460 Cb -0.00 -0.56 0.00 0.00 -0.55 0.00 0.00 41.25 40.14 3kak s ASN 460 CO -0.05 -0.38 0.00 0.29 -2.79 0.00 0.00 177.10 174.18 3kak n LYS 461 N 5.08 0.00 -0.20 0.43 4.76 0.95 -0.51 118.16 128.67 3kak n LYS 461 Ca -0.06 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.42 3kak n LYS 461 Cb 0.45 0.00 0.13 0.00 -1.84 0.00 0.00 35.03 33.77 3kak n LYS 461 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3kak n ASP 462 N 7.01 1.84 -4.56 4.39 8.00 -1.26 -4.85 116.55 127.12 3kak n ASP 462 Ca 0.00 -2.09 -0.36 0.00 0.71 0.00 0.00 54.79 53.04 3kak n ASP 462 Cb 0.00 -0.29 -0.11 0.00 -0.02 0.00 0.00 41.12 40.70 3kak n ASP 462 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3kak s LYS 463 N -1.64 3.87 -0.34 -1.24 1.02 0.33 -5.03 119.74 116.72 3kak s LYS 463 Ca 0.19 -0.38 -0.18 0.00 0.02 0.00 0.00 55.97 55.63 3kak s LYS 463 Cb 0.11 -3.40 -0.01 0.00 -0.52 0.00 0.00 37.83 34.02 3kak s LYS 463 CO 0.11 -0.02 0.50 0.42 -0.92 0.00 0.00 175.35 175.44 3kak s ILE 464 N 1.22 5.04 -0.09 2.17 -1.09 -1.26 -0.01 121.20 127.17 3kak s ILE 464 Ca 0.06 0.39 0.04 0.00 -2.23 0.00 0.00 60.65 58.91 3kak s ILE 464 Cb -0.14 -3.93 -0.24 0.00 -1.58 0.00 0.00 42.46 36.56 3kak s ILE 464 CO 0.05 -0.16 0.48 -0.38 -1.23 0.00 0.00 174.94 173.70 3kak n ILE 465 N 5.37 1.67 -3.75 2.92 5.41 0.10 -4.88 119.36 126.22 3kak n ILE 465 Ca -0.05 -0.73 -0.12 0.00 1.00 0.00 0.00 62.75 62.84 3kak n ILE 465 Cb 0.49 -1.32 -0.13 0.00 -0.71 0.00 0.00 39.64 37.97 3kak n ILE 465 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3kak s ILE 466 N -2.57 -0.03 -0.26 1.39 1.01 -1.01 -4.98 121.20 114.75 3kak s ILE 466 Ca -0.13 0.11 -0.03 0.00 0.00 0.00 0.00 60.65 60.59 3kak s ILE 466 Cb 0.07 -0.37 0.14 0.00 0.01 0.00 0.00 42.46 42.32 3kak s ILE 466 CO 0.79 0.04 0.47 0.21 0.00 0.00 0.00 174.94 176.46 3kak s ASN 467 N 0.94 -0.42 -0.28 3.58 2.47 -1.25 -1.07 114.94 118.92 3kak s ASN 467 Ca -0.07 0.64 -0.22 0.00 0.42 0.00 0.00 52.86 53.63 3kak s ASN 467 Cb -0.08 1.55 0.10 0.00 -1.45 0.00 0.00 41.25 41.37 3kak s ASN 467 CO -0.06 -0.27 0.85 0.21 -3.72 0.00 0.00 177.10 174.11 3kak s ASN 468 N 2.67 -0.65 0.20 -4.21 3.84 -0.94 -4.82 114.94 111.03 3kak s ASN 468 Ca 0.12 1.18 -0.30 0.00 0.21 0.00 0.00 52.86 54.06 3kak s ASN 468 Cb -0.15 1.22 -0.09 0.00 -0.55 0.00 0.00 41.25 41.69 3kak s ASN 468 CO -0.17 -0.20 1.41 -0.70 -2.79 0.00 0.00 177.10 174.65 3kak s GLU 469 N 0.69 4.30 -0.40 0.43 -6.30 -1.26 -0.64 118.70 115.52 3kak s GLU 469 Ca -0.02 2.20 0.12 0.00 -2.50 0.00 0.00 54.97 54.77 3kak s GLU 469 Cb -0.05 -3.17 0.38 0.00 0.00 0.00 0.00 34.13 31.30 3kak s GLU 469 CO -0.07 -0.40 0.85 0.43 0.02 0.00 0.00 175.26 176.08 3kak n SER 470 N 2.97 1.89 -0.05 -1.70 7.64 -0.46 -4.88 113.62 119.04 3kak n SER 470 Ca 0.09 -3.10 0.00 0.00 1.01 0.00 0.00 58.87 56.86 3kak n SER 470 Cb 0.41 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 3kak n SER 470 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kak n GLY 471 N 0.05 -1.78 3.77 0.23 0.00 -1.26 -4.03 105.19 102.17 3kak n GLY 471 Ca 0.23 -1.36 -0.08 0.00 0.00 0.00 0.00 46.02 44.82 3kak n GLY 471 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kak s TYR 472 N 0.00 -0.03 0.13 1.61 -0.85 -1.26 -2.22 117.35 114.73 3kak s TYR 472 Ca 0.00 -0.40 0.02 0.00 -0.52 0.00 0.00 57.07 56.17 3kak s TYR 472 Cb 0.00 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.85 3kak s TYR 472 CO 0.00 -1.16 -0.05 0.00 -1.52 0.00 0.00 175.55 172.82 3kak s MET 473 N -3.95 0.96 -0.03 -3.49 0.23 0.13 -4.19 119.30 108.97 3kak s MET 473 Ca 0.14 -1.42 0.03 0.00 -1.03 0.00 0.00 55.69 53.42 3kak s MET 473 Cb -0.04 -0.29 -0.00 0.00 -1.53 0.00 0.00 34.83 32.97 3kak s MET 473 CO 0.07 -0.04 -0.13 0.08 -2.03 0.00 0.00 175.02 172.97 3kak s VAL 474 N -3.59 1.09 -0.19 5.16 1.01 -1.23 0.27 120.40 122.92 3kak s VAL 474 Ca 0.16 -0.54 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 3kak s VAL 474 Cb 0.05 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 3kak s VAL 474 CO -0.01 0.32 -0.09 -0.60 0.00 0.00 0.00 175.10 174.72 3kak s ARG 475 N 0.05 3.33 -0.06 2.72 3.52 0.23 -1.84 118.95 126.90 3kak s ARG 475 Ca -0.02 -0.67 0.04 0.00 -0.13 0.00 0.00 55.73 54.95 3kak s ARG 475 Cb -0.09 -2.83 0.00 0.00 -1.56 0.00 0.00 34.95 30.47 3kak s ARG 475 CO 0.01 -0.06 -0.18 0.99 -0.81 0.00 0.00 175.30 175.25 3kak s THR 476 N 1.08 1.49 0.00 4.11 2.01 -0.21 0.72 115.64 124.85 3kak s THR 476 Ca 0.00 -0.73 -0.02 0.00 0.31 0.00 0.00 61.69 61.25 3kak s THR 476 Cb -0.15 -1.30 -0.01 0.00 0.01 0.00 0.00 72.50 71.06 3kak s THR 476 CO -0.02 0.43 0.03 -1.59 -0.69 0.00 0.00 174.62 172.79 3kak s LYS 477 N 0.20 0.24 0.00 4.92 0.00 0.07 0.16 119.74 125.33 3kak s LYS 477 Ca -0.08 -0.29 0.00 0.00 0.00 0.00 0.00 55.97 55.60 3kak s LYS 477 Cb -0.13 0.09 0.00 0.00 0.00 0.00 0.00 37.83 37.79 3kak s LYS 477 CO 0.04 -0.04 0.38 -0.89 0.00 0.00 0.00 175.35 174.83 3kak n ILE 478 N 2.18 0.00 0.00 3.79 5.41 -1.26 -1.02 119.36 128.45 3kak n ILE 478 Ca -0.19 0.88 0.00 0.00 1.00 0.00 0.00 62.75 64.44 3kak n ILE 478 Cb 0.57 -1.84 0.00 0.00 -0.71 0.00 0.00 39.64 37.66 3kak n ILE 478 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 3kak n SER 479 N -0.41 0.00 -0.11 4.38 2.88 -1.26 -4.48 113.62 114.63 3kak n SER 479 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 3kak n SER 479 Cb 0.00 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 63.65 3kak n SER 479 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3kak n SER 480 N 0.13 0.11 -0.52 -3.46 7.64 -1.26 -0.54 113.62 115.72 3kak n SER 480 Ca 0.00 0.53 0.14 0.00 1.01 0.00 0.00 58.87 60.55 3kak n SER 480 Cb 0.00 -0.26 0.48 0.00 -1.01 0.00 0.00 64.21 63.42 3kak n SER 480 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3kak n SER 481 N -3.70 1.64 -3.84 6.43 7.64 -1.26 -4.97 113.62 115.56 3kak n SER 481 Ca 0.12 -1.55 -0.12 0.00 1.01 0.00 0.00 58.87 58.33 3kak n SER 481 Cb 0.43 -0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.56 3kak n SER 481 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3kak s TYR 482 N -2.00 0.90 -0.57 1.43 1.51 0.30 -5.12 117.35 113.80 3kak s TYR 482 Ca 0.37 -1.15 -0.06 0.00 -1.01 0.00 0.00 57.07 55.22 3kak s TYR 482 Cb 0.21 -0.19 -0.19 0.00 -0.11 0.00 0.00 41.96 41.68 3kak s TYR 482 CO 0.33 -0.90 1.25 0.39 -1.11 0.00 0.00 175.55 175.51 3kak n GLU 483 N -0.41 0.00 0.00 -0.62 -0.58 -1.26 -4.68 120.64 113.09 3kak n GLU 483 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 3kak n GLU 483 Cb 0.63 -0.59 0.00 0.00 -0.57 0.00 0.00 31.44 30.91 3kak n GLU 483 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kak n GLY 484 N 3.17 -0.96 0.00 0.62 0.00 -1.26 -4.89 105.19 101.86 3kak n GLY 484 Ca 0.38 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.85 3kak n GLY 484 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kak n GLY 485 N -0.13 2.52 3.55 -0.02 0.00 -1.26 -5.03 105.19 104.82 3kak n GLY 485 Ca 0.00 -1.35 -0.38 0.00 0.00 0.00 0.00 46.02 44.29 3kak n GLY 485 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kak s VAL 486 N 0.00 3.36 0.00 1.61 0.11 -1.26 -4.71 120.40 119.51 3kak s VAL 486 Ca 0.00 0.19 0.00 0.00 -2.93 0.00 0.00 61.98 59.24 3kak s VAL 486 Cb 0.00 -3.95 0.00 0.00 -1.53 0.00 0.00 36.38 30.90 3kak s VAL 486 CO 0.00 -0.92 0.00 0.18 -3.33 0.00 0.00 175.10 171.03 3kak n LEU 487 N 12.76 0.00 -0.20 2.54 7.99 -1.26 -4.93 117.00 133.90 3kak n LEU 487 Ca 0.21 0.00 0.09 0.00 -0.01 0.00 0.00 56.01 56.29 3kak n LEU 487 Cb 0.52 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.78 3kak n LEU 487 CO 0.71 0.00 0.11 -0.81 -1.51 0.00 0.00 177.39 175.89 3kak n PRO 488 N 0.00 1.34 -3.04 3.23 -0.05 -1.26 -4.94 135.00 130.28 3kak n PRO 488 Ca 0.00 -0.43 -0.13 0.00 -0.05 0.00 0.00 63.50 62.89 3kak n PRO 488 Cb 0.00 -1.34 0.06 0.00 -0.05 0.00 0.00 33.50 32.16 3kak n PRO 488 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3kak n GLY 489 N 1.34 -0.07 0.49 0.55 0.00 -1.26 -2.09 105.19 104.15 3kak n GLY 489 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3kak n GLY 489 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3kak n PHE 490 N -3.45 0.00 -3.74 1.61 -0.00 -1.26 -4.66 117.46 105.96 3kak n PHE 490 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.33 3kak n PHE 490 Cb 0.59 -0.12 0.00 0.00 -0.00 0.00 0.00 39.48 39.94 3kak n PHE 490 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3kak n GLY 491 N 0.05 -0.98 3.36 4.97 0.00 -0.89 -4.90 105.19 106.79 3kak n GLY 491 Ca 0.00 -1.27 -0.18 0.00 0.00 0.00 0.00 46.02 44.57 3kak n GLY 491 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kak s VAL 492 N 0.00 1.08 0.25 1.61 -7.23 0.42 -4.87 120.40 111.67 3kak s VAL 492 Ca 0.00 -2.03 -0.16 0.00 -1.81 0.00 0.00 61.98 57.98 3kak s VAL 492 Cb 0.00 -2.44 -0.08 0.00 0.56 0.00 0.00 36.38 34.42 3kak s VAL 492 CO 0.00 -0.25 0.68 0.68 -0.31 0.00 0.00 175.10 175.90 3kak s VAL 493 N -3.39 4.69 0.33 1.32 -7.23 -0.03 -1.04 120.40 115.05 3kak s VAL 493 Ca 0.30 1.00 -0.05 0.00 -1.81 0.00 0.00 61.98 61.42 3kak s VAL 493 Cb 0.06 -3.72 0.01 0.00 0.56 0.00 0.00 36.38 33.29 3kak s VAL 493 CO 0.10 0.03 0.50 -0.62 -0.31 0.00 0.00 175.10 174.80 3kak s ASP 494 N -1.98 0.67 0.00 4.85 -1.08 -0.77 -1.09 116.67 117.27 3kak s ASP 494 Ca 0.47 -1.37 0.00 0.00 -0.52 0.00 0.00 52.55 51.13 3kak s ASP 494 Cb -0.13 0.66 0.00 0.00 -1.46 0.00 0.00 42.92 41.99 3kak s ASP 494 CO 0.19 -1.30 0.00 0.35 0.52 0.00 0.00 175.17 174.93 3kak n THR 495 N -0.53 0.00 -3.91 1.71 -2.24 -1.26 -3.53 114.28 104.53 3kak n THR 495 Ca -0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 3kak n THR 495 Cb 0.62 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.75 3kak n THR 495 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3kak s VAL 496 N 0.74 0.12 -0.22 2.28 -7.23 -1.26 -4.25 120.40 110.58 3kak s VAL 496 Ca 0.00 -1.02 -0.04 0.00 -1.81 0.00 0.00 61.98 59.11 3kak s VAL 496 Cb 0.00 -0.86 -0.01 0.00 0.56 0.00 0.00 36.38 36.07 3kak s VAL 496 CO 0.00 -0.56 -0.04 -0.47 -0.31 0.00 0.00 175.10 173.72 3kak s TYR 497 N -2.51 2.97 -0.02 2.82 6.14 -0.22 -4.25 117.35 122.28 3kak s TYR 497 Ca -0.06 -0.88 -0.30 0.00 0.64 0.00 0.00 57.07 56.47 3kak s TYR 497 Cb -0.02 -2.11 -0.03 0.00 0.42 0.00 0.00 41.96 40.23 3kak s TYR 497 CO -0.04 -0.52 1.05 -0.51 0.64 0.00 0.00 175.55 176.17 3kak s LEU 498 N 1.45 4.33 0.00 6.97 1.43 -0.48 0.37 118.68 132.75 3kak s LEU 498 Ca 0.05 1.70 0.00 0.00 -1.03 0.00 0.00 54.13 54.86 3kak s LEU 498 Cb -0.14 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.51 3kak s LEU 498 CO -0.03 -0.38 0.00 0.41 0.23 0.00 0.00 176.35 176.59