#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kak n LEU 28 N 0.00 0.00 -2.66 1.53 4.77 -1.26 -4.67 117.00 114.71 3kak n LEU 28 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 3kak n LEU 28 Cb 0.00 0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.26 3kak n LEU 28 CO 0.00 0.15 0.56 0.12 -1.33 0.00 0.00 177.39 176.89 3kak s PHE 29 N -2.40 -0.05 -0.68 -1.77 5.99 -1.26 -4.98 117.98 112.84 3kak s PHE 29 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 56.93 56.62 3kak s PHE 29 Cb 0.04 0.01 0.02 0.00 0.00 0.00 0.00 43.02 43.09 3kak s PHE 29 CO 0.40 -0.03 1.43 0.34 -0.00 0.00 0.00 175.22 177.36 3kak s ASP 30 N 1.74 5.96 0.03 6.13 2.15 -1.26 -4.89 116.67 126.52 3kak s ASP 30 Ca 0.16 -0.15 0.23 0.00 0.43 0.00 0.00 52.55 53.21 3kak s ASP 30 Cb 0.08 -2.55 0.94 0.00 -0.30 0.00 0.00 42.92 41.09 3kak s ASP 30 CO -0.15 -1.94 1.72 -1.22 -0.17 0.00 0.00 175.17 173.40 3kak n TYR 31 N 10.17 0.11 0.16 -5.34 0.53 -1.26 -2.54 117.16 118.98 3kak n TYR 31 Ca 0.08 0.04 0.02 0.00 -1.02 0.00 0.00 57.90 57.02 3kak n TYR 31 Cb 0.50 -0.56 0.35 0.00 -1.03 0.00 0.00 39.34 38.60 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 0.10 -0.84 -0.72 3.86 -1.89 -2.54 115.15 113.12 3kak h HIS 32 Ca 0.00 -0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.23 3kak h HIS 32 Cb 0.40 -0.03 -0.05 0.00 1.06 0.00 0.00 27.41 28.80 3kak h HIS 32 CO 0.00 0.40 0.55 0.00 0.86 0.00 0.00 177.93 179.74 3kak h ARG 33 N 0.08 0.99 -6.43 2.45 2.47 -1.92 -3.45 114.38 108.57 3kak h ARG 33 Ca 0.01 -0.06 -0.62 0.00 -1.26 0.00 0.00 59.98 58.05 3kak h ARG 33 Cb 0.60 -0.22 0.06 0.00 -1.65 0.00 0.00 29.97 28.75 3kak h ARG 33 CO 0.04 0.65 0.64 -0.89 0.56 0.00 0.00 179.97 180.98 3kak n ILE 34 N -4.45 0.14 -1.69 2.04 5.41 -0.96 -4.81 119.36 115.03 3kak n ILE 34 Ca 0.11 -0.04 -0.43 0.00 1.00 0.00 0.00 62.75 63.40 3kak n ILE 34 Cb 0.13 -1.27 -0.01 0.00 -0.71 0.00 0.00 39.64 37.78 3kak n ILE 34 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 3kak n ASP 35 N 2.93 2.67 0.00 4.38 2.03 -1.26 -4.85 116.55 122.45 3kak n ASP 35 Ca 0.17 1.20 0.04 0.00 0.52 0.00 0.00 54.79 56.71 3kak n ASP 35 Cb 0.26 -1.47 0.21 0.00 -0.72 0.00 0.00 41.12 39.39 3kak n ASP 35 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kak n GLN 36 N 0.54 0.45 -0.11 -0.67 -0.00 -1.26 -2.69 117.38 113.64 3kak n GLN 36 Ca 0.05 0.00 -0.22 0.00 -0.00 0.00 0.00 57.00 56.83 3kak n GLN 36 Cb 0.36 -1.25 -0.08 0.00 -0.00 0.00 0.00 30.24 29.27 3kak n GLN 36 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 3kak n LYS 37 N -0.75 0.47 0.28 2.61 0.00 -1.26 -3.63 118.16 115.89 3kak n LYS 37 Ca 0.05 0.19 0.16 0.00 0.00 0.00 0.00 58.31 58.71 3kak n LYS 37 Cb 0.02 -1.30 0.81 0.00 0.00 0.00 0.00 35.03 34.57 3kak n LYS 37 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 3kak h LEU 38 N -0.67 0.00 0.00 3.14 5.85 -1.92 -3.09 115.31 118.62 3kak h LEU 38 Ca -0.54 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.06 3kak h LEU 38 Cb 1.52 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.53 3kak h LEU 38 CO -0.30 0.07 -0.95 -0.07 -0.34 0.00 0.00 178.44 176.85 3kak h LEU 39 N 0.00 0.00 -1.21 2.25 3.38 -1.65 -2.71 115.31 115.36 3kak h LEU 39 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3kak h LEU 39 Cb 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3kak h LEU 39 CO 0.01 0.43 0.04 -0.61 0.09 0.00 0.00 178.44 178.40 3kak h GLN 40 N 0.00 0.58 -0.23 1.13 -0.00 -1.60 -1.84 115.11 113.15 3kak h GLN 40 Ca -0.07 -0.12 -0.06 0.00 -0.00 0.00 0.00 58.65 58.40 3kak h GLN 40 Cb 1.40 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 28.78 3kak h GLN 40 CO 0.04 0.57 -0.09 -0.91 0.00 0.00 0.00 178.83 178.45 3kak h ASN 41 N 0.56 0.47 -0.04 -0.69 2.35 -1.57 -0.56 115.58 116.10 3kak h ASN 41 Ca 0.12 -0.40 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 3kak h ASN 41 Cb 0.30 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 3kak h ASN 41 CO 0.01 0.76 0.03 0.40 -1.65 0.00 0.00 177.43 176.98 3kak h ILE 42 N 0.18 1.03 -0.38 2.81 2.04 -1.30 -0.94 117.51 120.94 3kak h ILE 42 Ca 0.05 -0.09 0.04 0.00 1.00 0.00 0.00 64.86 65.87 3kak h ILE 42 Cb 0.58 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 3kak h ILE 42 CO 0.03 0.03 0.15 0.58 0.00 0.00 0.00 178.15 178.94 3kak h VAL 43 N 0.03 0.91 -0.45 1.67 2.07 -1.35 0.26 116.25 119.39 3kak h VAL 43 Ca 0.01 -0.11 0.09 0.00 0.82 0.00 0.00 66.70 67.51 3kak h VAL 43 Cb 0.02 0.57 -0.08 0.00 -1.52 0.00 0.00 31.29 30.28 3kak h VAL 43 CO -0.00 0.06 -0.06 0.22 0.02 0.00 0.00 177.57 177.81 3kak h TYR 44 N 0.32 -0.14 -0.29 1.57 3.20 -0.78 0.15 116.97 121.00 3kak h TYR 44 Ca 0.17 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 3kak h TYR 44 Cb 0.14 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 3kak h TYR 44 CO -0.13 -0.15 -0.03 -0.44 -1.64 0.00 0.00 178.16 175.76 3kak h ASP 45 N 0.05 0.42 0.06 -2.11 5.19 0.00 -2.11 116.42 117.92 3kak h ASP 45 Ca 0.22 -0.08 -0.12 0.00 -0.62 0.00 0.00 57.03 56.43 3kak h ASP 45 Cb 0.34 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.72 3kak h ASP 45 CO -0.42 0.51 -0.40 0.00 -3.12 0.00 0.00 179.24 175.81 3kak h ALA 46 N 1.55 0.95 0.02 3.45 0.00 0.92 -1.59 119.26 124.55 3kak h ALA 46 Ca 0.09 -0.43 -0.26 0.00 0.00 0.00 0.00 54.91 54.32 3kak h ALA 46 Cb 0.33 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.03 3kak h ALA 46 CO 0.01 0.62 -1.04 -0.07 0.00 0.00 0.00 179.25 178.77 3kak h LEU 47 N 0.37 0.76 0.69 0.00 3.38 -0.59 -2.73 115.31 117.19 3kak h LEU 47 Ca 0.03 -0.63 -0.03 0.00 0.09 0.00 0.00 57.88 57.35 3kak h LEU 47 Cb 0.86 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 3kak h LEU 47 CO 0.07 1.43 -0.42 0.58 0.09 0.00 0.00 178.44 180.19 3kak h VAL 48 N 0.31 0.15 -0.57 1.22 2.07 -1.21 -2.75 116.25 115.47 3kak h VAL 48 Ca -0.12 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.51 3kak h VAL 48 Cb 1.69 0.15 -0.09 0.00 -1.52 0.00 0.00 31.29 31.52 3kak h VAL 48 CO 0.20 0.00 0.03 -0.25 0.02 0.00 0.00 177.57 177.56 3kak h TRP 49 N -1.05 0.01 -0.96 1.57 7.01 -1.35 -0.47 115.95 120.72 3kak h TRP 49 Ca -0.09 0.04 0.05 0.00 2.11 0.00 0.00 58.89 61.00 3kak h TRP 49 Cb 0.84 0.08 -0.06 0.00 -2.10 0.00 0.00 29.16 27.93 3kak h TRP 49 CO -0.10 -0.12 0.63 0.77 -2.79 0.00 0.00 178.44 176.83 3kak h SER 50 N 0.14 1.01 -0.11 2.65 0.02 -1.50 -1.09 113.55 114.68 3kak h SER 50 Ca 0.29 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.18 3kak h SER 50 Cb 0.46 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 3kak h SER 50 CO -0.46 0.67 -0.18 0.74 -1.14 0.00 0.00 176.83 176.47 3kak h THR 51 N 1.16 1.38 0.00 -2.27 2.02 -0.94 -0.94 112.91 113.32 3kak h THR 51 Ca 0.40 -1.43 -0.03 0.00 0.77 0.00 0.00 66.41 66.12 3kak h THR 51 Cb 0.10 2.06 -0.00 0.00 -1.74 0.00 0.00 68.15 68.56 3kak h THR 51 CO -0.14 0.41 -0.14 -0.07 0.37 0.00 0.00 175.52 175.96 3kak h LEU 52 N -0.12 0.00 -2.80 2.58 3.38 -0.42 -2.84 115.31 115.10 3kak h LEU 52 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kak h LEU 52 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3kak h LEU 52 CO 0.04 0.14 0.00 0.59 0.09 0.00 0.00 178.44 179.30 3kak n ASN 53 N -3.58 2.54 -3.14 -0.43 3.02 -0.48 -5.00 115.26 108.18 3kak n ASN 53 Ca -0.01 -1.95 -0.19 0.00 -0.03 0.00 0.00 54.58 52.40 3kak n ASN 53 Cb 0.27 -0.14 0.07 0.00 -0.61 0.00 0.00 39.78 39.37 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 -4.21 7.14 -4.02 0.00 7.94 -0.45 -4.93 117.00 118.47 3kak n LEU 55 Ca -0.05 -4.51 -0.13 0.00 -1.11 0.00 0.00 56.01 50.20 3kak n LEU 55 Cb 0.57 -1.52 -0.12 0.00 0.53 0.00 0.00 43.42 42.88 3kak n LEU 55 CO 0.55 1.48 -0.40 -0.76 -1.11 0.00 0.00 177.39 177.15 3kak s LEU 56 N 0.24 2.18 0.06 -1.96 1.43 -1.26 -1.93 118.68 117.43 3kak s LEU 56 Ca 0.47 -0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 53.16 3kak s LEU 56 Cb 0.13 -0.15 -0.04 0.00 0.03 0.00 0.00 46.19 46.16 3kak s LEU 56 CO -0.04 -0.14 -0.04 0.68 0.23 0.00 0.00 176.35 177.04 3kak s VAL 57 N -1.01 0.29 0.14 -1.59 -7.23 0.36 -4.74 120.40 106.61 3kak s VAL 57 Ca -0.07 -1.82 -0.34 0.00 -1.81 0.00 0.00 61.98 57.94 3kak s VAL 57 Cb -0.08 -1.53 -0.14 0.00 0.56 0.00 0.00 36.38 35.19 3kak s VAL 57 CO 0.00 -0.98 1.57 0.61 -0.31 0.00 0.00 175.10 176.00 3kak n GLY 58 N 0.11 1.08 3.67 2.32 0.00 -0.28 -0.32 105.19 111.76 3kak n GLY 58 Ca -0.14 0.67 -0.42 0.00 0.00 0.00 0.00 46.02 46.13 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 1.07 6.47 0.50 1.61 -1.08 0.29 -4.80 116.67 120.73 3kak s ASP 59 Ca 0.80 2.66 0.32 0.00 -0.52 0.00 0.00 52.55 55.81 3kak s ASP 59 Cb -0.71 -2.55 1.44 0.00 -1.46 0.00 0.00 42.92 39.65 3kak s ASP 59 CO 0.40 -1.01 1.78 0.11 0.52 0.00 0.00 175.17 176.97 3kak h LYS 60 N 9.58 0.10 0.00 4.34 1.57 -1.92 -2.32 116.57 127.91 3kak h LYS 60 Ca -0.47 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 3kak h LYS 60 Cb 1.22 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 3kak h LYS 60 CO 0.94 0.06 -0.05 0.66 -0.57 0.00 0.00 179.45 180.50 3kak h SER 61 N 0.10 0.00 -3.37 0.86 4.64 -1.94 -3.43 113.55 110.40 3kak h SER 61 Ca 0.59 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 61.31 3kak h SER 61 Cb 2.13 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 64.10 3kak h SER 61 CO -0.10 0.05 -0.41 -0.69 -0.87 0.00 0.00 176.83 174.82 3kak s VAL 62 N -3.49 5.34 0.27 0.95 1.01 -0.87 -5.01 120.40 118.59 3kak s VAL 62 Ca 0.03 0.36 0.11 0.00 0.00 0.00 0.00 61.98 62.48 3kak s VAL 62 Cb 0.08 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 3kak s VAL 62 CO 0.60 0.38 1.61 1.56 0.00 0.00 0.00 175.10 179.26 3kak h GLN 63 N 6.95 0.00 -0.06 2.72 1.08 -1.85 -2.98 115.11 120.98 3kak h GLN 63 Ca -0.40 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.80 3kak h GLN 63 Cb 1.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.59 3kak h GLN 63 CO 0.73 0.62 0.00 0.54 -0.95 0.00 0.00 178.83 179.77 3kak n ARG 64 N -3.79 1.88 0.14 1.46 1.74 -1.26 -4.59 116.66 112.24 3kak n ARG 64 Ca -0.01 -1.29 0.12 0.00 -0.77 0.00 0.00 57.85 55.91 3kak n ARG 64 Cb 0.62 -1.47 0.51 0.00 -1.02 0.00 0.00 32.46 31.10 3kak n ARG 64 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3kak h SER 65 N 3.01 0.00 -0.08 0.55 4.64 -1.77 -0.11 113.55 119.79 3kak h SER 65 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kak h SER 65 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3kak h SER 65 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3kak n GLY 66 N 0.01 0.29 0.00 -0.77 0.00 -1.26 -4.40 105.19 99.05 3kak n GLY 66 Ca 0.02 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 0.41 0.45 -3.40 1.61 1.74 -0.76 -0.58 116.66 116.12 3kak n ARG 67 Ca 0.18 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.83 3kak n ARG 67 Cb 0.39 -0.75 -0.09 0.00 -1.02 0.00 0.00 32.46 30.99 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 -1.49 5.19 0.66 1.55 1.01 -0.13 -5.07 120.40 122.13 3kak s VAL 68 Ca 0.00 -0.47 -0.16 0.00 0.00 0.00 0.00 61.98 61.36 3kak s VAL 68 Cb 0.00 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.43 3kak s VAL 68 CO 0.00 -0.32 1.16 -2.84 0.00 0.00 0.00 175.10 173.10 3kak s PRO 69 N 1.89 2.63 0.00 2.72 0.02 -1.26 -3.79 135.00 137.21 3kak s PRO 69 Ca 0.08 1.61 0.00 0.00 0.02 0.00 0.00 61.00 62.71 3kak s PRO 69 Cb -0.18 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.43 3kak s PRO 69 CO 0.12 -1.42 0.00 0.41 -0.33 0.00 0.00 177.00 175.78 3kak n GLY 70 N 0.02 0.74 3.06 0.52 0.00 -1.26 -5.03 105.19 103.24 3kak n GLY 70 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.58 0.61 -1.23 1.61 -7.23 -1.25 -4.90 120.40 105.43 3kak s VAL 71 Ca 0.00 -0.92 -0.06 0.00 -1.81 0.00 0.00 61.98 59.19 3kak s VAL 71 Cb 0.00 -0.63 0.01 0.00 0.56 0.00 0.00 36.38 36.32 3kak s VAL 71 CO 0.00 -0.24 1.07 0.61 -0.31 0.00 0.00 175.10 176.23 3kak n GLY 72 N 1.79 -0.41 3.88 2.32 0.00 -1.26 -4.60 105.19 106.90 3kak n GLY 72 Ca -0.20 0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 -6.69 4.26 0.00 0.99 1.43 -1.26 0.11 118.68 117.51 3kak s LEU 73 Ca 0.39 0.74 -0.24 0.00 -1.03 0.00 0.00 54.13 53.99 3kak s LEU 73 Cb -0.17 -3.35 0.05 0.00 0.03 0.00 0.00 46.19 42.75 3kak s LEU 73 CO 0.69 0.04 0.54 0.54 0.23 0.00 0.00 176.35 178.38 3kak s VAL 74 N -1.65 0.02 0.53 -1.59 0.11 0.56 -4.72 120.40 113.67 3kak s VAL 74 Ca 0.41 -0.20 -0.21 0.00 -2.93 0.00 0.00 61.98 59.05 3kak s VAL 74 Cb -0.12 -0.92 -0.05 0.00 -1.53 0.00 0.00 36.38 33.76 3kak s VAL 74 CO 0.22 -0.11 1.22 -1.38 -3.33 0.00 0.00 175.10 171.72 3kak s HIS 75 N -1.82 2.55 0.23 1.54 -3.43 -1.26 -0.49 115.29 112.61 3kak s HIS 75 Ca -0.09 1.49 -0.31 0.00 -0.80 0.00 0.00 55.06 55.35 3kak s HIS 75 Cb -0.01 -3.51 -0.13 0.00 -1.43 0.00 0.00 32.58 27.50 3kak s HIS 75 CO 0.03 -2.09 1.42 1.28 -2.00 0.00 0.00 174.74 173.38 3kak n LEU 76 N -1.07 3.10 -4.72 5.38 7.99 -0.81 -4.70 117.00 122.17 3kak n LEU 76 Ca 0.11 1.14 -0.42 0.00 -0.01 0.00 0.00 56.01 56.83 3kak n LEU 76 Cb 0.48 -1.43 -0.00 0.00 -0.11 0.00 0.00 43.42 42.36 3kak n LEU 76 CO 0.47 -0.48 0.97 -2.65 -1.51 0.00 0.00 177.39 174.20 3kak n PRO 77 N 2.13 2.26 -3.68 3.23 -0.02 -1.26 -4.93 135.00 132.73 3kak n PRO 77 Ca 0.12 0.79 -0.14 0.00 -2.02 0.00 0.00 63.50 62.25 3kak n PRO 77 Cb 0.31 -2.44 -0.08 0.00 -0.02 0.00 0.00 33.50 31.28 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 -1.45 0.38 0.03 2.45 0.05 -0.60 -1.28 118.68 118.26 3kak s LEU 78 Ca 0.56 0.24 -0.17 0.00 0.05 0.00 0.00 54.13 54.81 3kak s LEU 78 Cb -0.53 1.68 -0.06 0.00 -2.05 0.00 0.00 46.19 45.23 3kak s LEU 78 CO 0.62 -0.53 0.48 -0.55 -0.55 0.00 0.00 176.35 175.83 3kak s SER 79 N -1.40 6.93 0.17 1.48 0.15 -0.59 -0.22 113.70 120.22 3kak s SER 79 Ca -0.12 1.10 -0.01 0.00 0.70 0.00 0.00 55.95 57.63 3kak s SER 79 Cb -0.03 -2.30 0.04 0.00 -1.71 0.00 0.00 66.02 62.02 3kak s SER 79 CO 0.05 0.30 1.42 0.25 1.20 0.00 0.00 173.24 176.46 3kak h LEU 80 N 4.62 0.45 -7.80 3.45 5.85 0.50 -3.45 115.31 118.92 3kak h LEU 80 Ca -0.51 -0.31 -0.15 0.00 0.84 0.00 0.00 57.88 57.76 3kak h LEU 80 Cb 1.22 -0.13 -0.21 0.00 0.37 0.00 0.00 40.66 41.91 3kak h LEU 80 CO 0.62 1.05 -0.54 -0.76 -0.34 0.00 0.00 178.44 178.48 3kak s LEU 81 N -7.86 1.71 0.60 2.25 1.43 -1.26 -4.89 118.68 110.66 3kak s LEU 81 Ca -0.05 -0.27 -0.15 0.00 -1.03 0.00 0.00 54.13 52.62 3kak s LEU 81 Cb 0.10 0.54 -0.03 0.00 0.03 0.00 0.00 46.19 46.83 3kak s LEU 81 CO 0.84 -0.35 1.05 -2.16 0.23 0.00 0.00 176.35 175.96 3kak s PRO 82 N -1.40 3.31 0.36 1.29 0.04 -1.26 -4.87 135.00 132.47 3kak s PRO 82 Ca -0.15 1.14 0.04 0.00 0.04 0.00 0.00 61.00 62.07 3kak s PRO 82 Cb -0.08 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 3kak s PRO 82 CO 0.01 -0.81 0.53 0.20 0.04 0.00 0.00 177.00 176.97 3kak s GLY 83 N -2.99 1.54 0.19 0.56 0.00 -1.26 -4.61 107.32 100.75 3kak s GLY 83 Ca 0.62 -1.28 -0.24 0.00 0.00 0.00 0.00 44.72 43.82 3kak s GLY 83 CO 0.40 -1.18 0.78 -4.14 0.00 0.00 0.00 173.10 168.95 3kak s PRO 84 N -4.29 4.50 -0.14 2.90 0.02 -1.26 0.21 135.00 136.94 3kak s PRO 84 Ca 0.45 1.11 -0.06 0.00 0.02 0.00 0.00 61.00 62.52 3kak s PRO 84 Cb -0.10 -3.14 0.07 0.00 0.02 0.00 0.00 34.50 31.35 3kak s PRO 84 CO 0.33 0.51 0.30 0.12 -0.33 0.00 0.00 177.00 177.93 3kak s PHE 85 N -1.27 -0.50 0.21 6.54 2.19 -0.81 -4.78 117.98 119.57 3kak s PHE 85 Ca 0.39 1.08 -0.32 0.00 0.33 0.00 0.00 56.93 58.40 3kak s PHE 85 Cb -0.21 0.07 -0.14 0.00 -1.31 0.00 0.00 43.02 41.42 3kak s PHE 85 CO 0.25 -0.36 1.39 -2.30 1.83 0.00 0.00 175.22 176.03 3kak n PRO 86 N 5.09 1.88 -0.30 10.12 -0.02 -1.26 -0.67 135.00 149.85 3kak n PRO 86 Ca -0.11 0.67 0.13 0.00 -2.02 0.00 0.00 63.50 62.17 3kak n PRO 86 Cb 0.51 -2.32 0.29 0.00 -0.02 0.00 0.00 33.50 31.95 3kak n PRO 86 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3kak h GLU 87 N 4.32 0.17 -0.07 -0.52 4.81 -1.91 -1.69 114.58 119.70 3kak h GLU 87 Ca -0.45 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3kak h GLU 87 Cb 1.29 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 3kak h GLU 87 CO 0.77 0.11 0.04 0.66 -0.73 0.00 0.00 179.01 179.86 3kak h SER 88 N 0.17 0.08 0.45 1.04 4.64 -2.00 0.45 113.55 118.39 3kak h SER 88 Ca 0.55 -0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 61.74 3kak h SER 88 Cb 1.13 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 3kak h SER 88 CO -0.69 0.13 -0.31 0.45 -0.87 0.00 0.00 176.83 175.54 3kak h HIS 89 N 0.03 0.00 -0.51 4.77 3.86 -1.80 0.54 115.15 122.04 3kak h HIS 89 Ca 0.02 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.13 3kak h HIS 89 Cb 0.07 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 3kak h HIS 89 CO -0.05 0.31 -0.08 2.35 0.86 0.00 0.00 177.93 181.32 3kak h TRP 90 N 0.00 1.03 -0.51 2.45 2.91 -0.89 -2.55 115.95 118.39 3kak h TRP 90 Ca -0.00 -0.19 -0.01 0.00 1.13 0.00 0.00 58.89 59.82 3kak h TRP 90 Cb 0.62 -0.26 -0.02 0.00 -0.51 0.00 0.00 29.16 28.99 3kak h TRP 90 CO 0.00 0.96 0.28 0.87 -1.03 0.00 0.00 178.44 179.52 3kak h LYS 91 N 0.84 0.71 -0.24 2.65 1.57 0.83 -2.02 116.57 120.91 3kak h LYS 91 Ca 0.14 -0.08 0.06 0.00 -1.87 0.00 0.00 60.65 58.90 3kak h LYS 91 Cb 0.61 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.72 3kak h LYS 91 CO 0.04 0.55 -0.13 0.37 -0.57 0.00 0.00 179.45 179.71 3kak h GLN 92 N 0.68 -0.10 -0.53 3.15 4.15 -0.99 -2.20 115.11 119.27 3kak h GLN 92 Ca 0.18 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.60 3kak h GLN 92 Cb 0.04 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 3kak h GLN 92 CO -0.03 -0.07 0.31 0.78 -1.93 0.00 0.00 178.83 177.89 3kak h GLY 93 N -0.10 0.77 -0.19 2.39 0.00 -1.20 -1.98 103.07 102.76 3kak h GLY 93 Ca 0.13 -0.33 0.16 0.00 0.00 0.00 0.00 47.33 47.29 3kak h GLY 93 CO -0.31 0.32 0.08 0.00 0.00 0.00 0.00 176.54 176.63 3kak h GLU 95 N 0.17 0.00 -0.13 0.00 5.08 -1.14 -2.95 114.58 115.62 3kak h GLU 95 Ca 0.40 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.80 3kak h GLU 95 Cb 0.70 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 3kak h GLU 95 CO -0.58 0.75 0.14 -0.07 -1.00 0.00 0.00 179.01 178.25 3kak h LEU 96 N 0.00 0.00 0.19 1.33 4.07 -1.27 -3.33 115.31 116.30 3kak h LEU 96 Ca -0.01 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 3kak h LEU 96 Cb 1.34 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.07 3kak h LEU 96 CO 0.10 0.00 -0.14 0.00 -1.08 0.00 0.00 178.44 177.31 3kak h ALA 97 N 1.83 -0.32 0.00 1.53 0.00 -1.37 0.23 119.26 121.17 3kak h ALA 97 Ca 0.06 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3kak h ALA 97 Cb 0.35 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3kak h ALA 97 CO -0.00 -0.69 -0.42 -1.00 0.00 0.00 0.00 179.25 177.13 3kak h PRO 98 N -0.34 0.00 0.04 0.00 0.13 -1.80 -2.16 132.00 127.87 3kak h PRO 98 Ca -0.01 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3kak h PRO 98 Cb 0.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.43 3kak h PRO 98 CO -0.01 0.42 -0.02 0.82 -0.23 0.00 0.00 178.00 178.98 3kak h ILE 99 N 0.00 0.98 -0.88 -3.56 2.04 -1.50 -2.63 117.51 111.95 3kak h ILE 99 Ca -0.00 -0.06 0.05 0.00 1.00 0.00 0.00 64.86 65.84 3kak h ILE 99 Cb 0.92 1.02 -0.06 0.00 -0.74 0.00 0.00 36.82 37.96 3kak h ILE 99 CO 0.05 0.01 0.56 -0.26 0.00 0.00 0.00 178.15 178.52 3kak h PHE 100 N -0.08 1.05 -0.39 1.37 0.04 -0.53 0.44 116.94 118.85 3kak h PHE 100 Ca -0.01 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.85 3kak h PHE 100 Cb 0.07 -0.35 -0.05 0.00 2.20 0.00 0.00 35.95 37.82 3kak h PHE 100 CO -0.07 0.58 0.06 -0.91 -0.60 0.00 0.00 178.31 177.37 3kak h ASN 101 N 1.07 -0.03 -0.19 2.17 2.35 -1.33 0.29 115.58 119.91 3kak h ASN 101 Ca 0.37 0.07 -0.20 0.00 -0.55 0.00 0.00 56.30 55.99 3kak h ASN 101 Cb 0.07 0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.55 3kak h ASN 101 CO -0.14 0.02 -0.63 -0.08 -1.65 0.00 0.00 177.43 174.95 3kak h GLU 102 N 0.18 0.81 -0.19 0.81 4.57 -1.30 -1.71 114.58 117.74 3kak h GLU 102 Ca 0.19 -0.56 0.01 0.00 -1.18 0.00 0.00 59.36 57.82 3kak h GLU 102 Cb 0.23 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 3kak h GLU 102 CO -0.26 1.18 0.11 1.25 -1.18 0.00 0.00 179.01 180.11 3kak h LEU 103 N 0.60 0.17 -0.89 1.64 5.85 -0.60 0.66 115.31 122.73 3kak h LEU 103 Ca -0.01 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.81 3kak h LEU 103 Cb 1.24 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 42.16 3kak h LEU 103 CO 0.13 0.13 0.53 0.58 -0.34 0.00 0.00 178.44 179.47 3kak h VAL 104 N 0.22 0.94 -0.39 1.05 2.07 -0.28 -0.80 116.25 119.07 3kak h VAL 104 Ca 0.08 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 3kak h VAL 104 Cb 0.00 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.72 3kak h VAL 104 CO -0.04 0.16 -0.00 -0.78 0.02 0.00 0.00 177.57 176.93 3kak h ASP 105 N 0.90 0.67 0.45 0.57 3.58 -0.89 -2.06 116.42 119.65 3kak h ASP 105 Ca 0.42 -0.31 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 3kak h ASP 105 Cb 0.35 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 3kak h ASP 105 CO -0.24 0.82 -0.29 -0.09 -2.88 0.00 0.00 179.24 176.56 3kak h ARG 106 N 0.51 -0.68 -1.00 0.28 9.65 -0.31 -2.55 114.38 120.27 3kak h ARG 106 Ca 0.11 0.05 0.14 0.00 -1.10 0.00 0.00 59.98 59.18 3kak h ARG 106 Cb 0.47 0.16 -0.09 0.00 -1.39 0.00 0.00 29.97 29.12 3kak h ARG 106 CO 0.02 -0.46 0.62 0.28 2.80 0.00 0.00 179.97 183.24 3kak h VAL 107 N -0.71 0.86 0.00 0.20 2.07 -1.21 -2.45 116.25 115.02 3kak h VAL 107 Ca -0.05 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 3kak h VAL 107 Cb 0.59 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 3kak h VAL 107 CO 0.05 0.17 -0.16 0.77 0.02 0.00 0.00 177.57 178.42 3kak h SER 108 N 0.93 0.00 0.56 0.57 4.64 -1.02 -1.47 113.55 117.75 3kak h SER 108 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 3kak h SER 108 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3kak h SER 108 CO -0.30 0.16 0.00 0.18 -0.87 0.00 0.00 176.83 176.00 3kak n LEU 109 N -4.02 0.04 -4.29 5.97 4.77 -0.92 -4.46 117.00 114.09 3kak n LEU 109 Ca -0.02 0.51 -0.45 0.00 -0.03 0.00 0.00 56.01 56.02 3kak n LEU 109 Cb 0.24 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 3kak n LEU 109 CO 0.34 -0.25 0.43 -0.62 -1.33 0.00 0.00 177.39 175.96 3kak s ASP 110 N -3.07 6.62 0.24 -1.43 -1.08 -0.56 -4.90 116.67 112.50 3kak s ASP 110 Ca 0.07 -2.91 -0.01 0.00 -0.52 0.00 0.00 52.55 49.18 3kak s ASP 110 Cb 0.10 -2.15 0.28 0.00 -1.46 0.00 0.00 42.92 39.69 3kak s ASP 110 CO 0.29 -0.48 1.66 1.23 0.52 0.00 0.00 175.17 178.39 3kak h GLY 111 N 7.42 0.68 0.62 2.66 0.00 -1.84 -0.87 103.07 111.75 3kak h GLY 111 Ca 0.11 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 3kak h GLY 111 CO 0.79 0.53 -0.01 0.50 0.00 0.00 0.00 176.54 178.35 3kak h LYS 112 N 0.55 -0.04 -0.60 4.80 1.57 -1.97 0.23 116.57 121.12 3kak h LYS 112 Ca 0.07 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.98 3kak h LYS 112 Cb 0.73 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.94 3kak h LYS 112 CO 0.06 0.34 -0.10 0.35 -0.57 0.00 0.00 179.45 179.53 3kak h PHE 113 N -0.42 -0.22 0.09 -1.35 3.57 -1.93 0.43 116.94 117.11 3kak h PHE 113 Ca -0.00 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 3kak h PHE 113 Cb 0.39 0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.33 3kak h PHE 113 CO 0.06 -0.23 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.80 3kak h LEU 114 N 0.04 -0.10 -0.67 0.59 3.38 -1.10 0.32 115.31 117.77 3kak h LEU 114 Ca 0.30 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 3kak h LEU 114 Cb 0.47 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 3kak h LEU 114 CO -0.58 0.08 0.32 1.56 0.09 0.00 0.00 178.44 179.90 3kak h GLN 115 N -0.27 0.98 0.82 1.13 1.08 -0.44 -2.49 115.11 115.91 3kak h GLN 115 Ca -0.01 -0.15 -0.04 0.00 -1.45 0.00 0.00 58.65 57.00 3kak h GLN 115 Cb 0.23 -0.17 0.01 0.00 -0.05 0.00 0.00 27.48 27.49 3kak h GLN 115 CO 0.02 0.78 -0.39 1.49 -0.95 0.00 0.00 178.83 179.77 3kak h GLU 116 N 0.94 -1.06 -0.77 1.46 4.22 -0.01 -2.57 114.58 116.79 3kak h GLU 116 Ca 0.23 0.07 0.17 0.00 0.08 0.00 0.00 59.36 59.91 3kak h GLU 116 Cb 0.13 0.24 -0.14 0.00 0.50 0.00 0.00 28.75 29.48 3kak h GLU 116 CO -0.03 -0.69 -0.05 0.77 -2.18 0.00 0.00 179.01 176.83 3kak h SER 117 N -1.22 -0.46 0.74 1.04 0.02 -0.97 -3.12 113.55 109.57 3kak h SER 117 Ca -0.11 0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 3kak h SER 117 Cb 0.85 0.39 -0.00 0.00 0.14 0.00 0.00 62.40 63.78 3kak h SER 117 CO 0.18 -0.21 -1.27 0.18 -1.14 0.00 0.00 176.83 174.58 3kak n LEU 118 N -5.40 0.64 -3.44 5.07 4.77 -0.94 -4.51 117.00 113.20 3kak n LEU 118 Ca 0.13 0.25 -0.40 0.00 -0.03 0.00 0.00 56.01 55.96 3kak n LEU 118 Cb 0.47 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.51 3kak n LEU 118 CO 0.02 -0.13 2.69 -1.54 -1.33 0.00 0.00 177.39 177.11 3kak n SER 119 N -2.58 8.19 0.00 -1.43 3.41 -0.97 -4.98 113.62 115.26 3kak n SER 119 Ca -0.01 -2.97 0.00 0.00 -0.26 0.00 0.00 58.87 55.62 3kak n SER 119 Cb 0.57 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 3kak n SER 119 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3kak n ARG 120 N 2.32 2.06 -0.82 4.33 5.12 -1.26 -5.03 116.66 123.38 3kak n ARG 120 Ca 0.67 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.59 3kak n ARG 120 Cb 0.24 -0.98 0.00 0.00 -1.16 0.00 0.00 32.46 30.56 3kak n ARG 120 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 3kak n ASP 125 N -2.20 -1.09 -0.27 0.55 2.03 -1.26 -5.22 116.55 109.09 3kak n ASP 125 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 3kak n ASP 125 Cb 0.48 -0.55 0.06 0.00 -0.72 0.00 0.00 41.12 40.40 3kak n ASP 125 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3kak h GLU 126 N 0.00 0.99 0.22 -0.67 4.22 -2.05 -2.58 114.58 114.71 3kak h GLU 126 Ca 0.00 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.38 3kak h GLU 126 Cb 0.00 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.00 3kak h GLU 126 CO 0.00 0.67 -0.45 0.35 -2.18 0.00 0.00 179.01 177.40 3kak h PHE 127 N 1.02 -1.29 -0.81 0.92 3.57 -2.00 -0.63 116.94 117.72 3kak h PHE 127 Ca 0.27 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.92 3kak h PHE 127 Cb -0.10 0.53 -0.06 0.00 2.79 0.00 0.00 35.95 39.11 3kak h PHE 127 CO -0.02 -0.54 0.53 1.15 -2.23 0.00 0.00 178.31 177.20 3kak h THR 128 N -0.72 0.87 -0.03 4.41 2.02 -1.98 -0.73 112.91 116.74 3kak h THR 128 Ca -0.02 -0.21 -0.22 0.00 0.77 0.00 0.00 66.41 66.72 3kak h THR 128 Cb 0.69 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 3kak h THR 128 CO -0.18 0.11 -0.90 0.77 0.37 0.00 0.00 175.52 175.69 3kak h SER 129 N 0.62 0.62 -0.52 4.18 4.64 -1.10 0.66 113.55 122.66 3kak h SER 129 Ca 0.39 -0.47 0.02 0.00 -0.47 0.00 0.00 61.79 61.26 3kak h SER 129 Cb 0.64 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.52 3kak h SER 129 CO -0.15 1.26 0.35 0.03 -0.87 0.00 0.00 176.83 177.44 3kak h ARG 130 N 0.30 0.62 -0.33 4.77 2.47 -0.50 -2.34 114.38 119.36 3kak h ARG 130 Ca -0.07 -0.04 -0.17 0.00 -1.26 0.00 0.00 59.98 58.44 3kak h ARG 130 Cb 1.52 -0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 29.70 3kak h ARG 130 CO 0.16 0.41 -0.44 -0.07 0.56 0.00 0.00 179.97 180.59 3kak h LEU 131 N 0.64 0.97 -0.77 3.04 3.38 0.48 -3.21 115.31 119.83 3kak h LEU 131 Ca 0.20 -0.50 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 3kak h LEU 131 Cb 0.02 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3kak h LEU 131 CO -0.05 1.27 0.31 -0.07 0.09 0.00 0.00 178.44 179.99 3kak h LEU 132 N 0.69 1.06 -0.83 1.67 3.38 -0.78 -2.64 115.31 117.86 3kak h LEU 132 Ca 0.04 -0.17 0.14 0.00 0.09 0.00 0.00 57.88 57.98 3kak h LEU 132 Cb 1.04 -0.28 -0.14 0.00 0.09 0.00 0.00 40.66 41.37 3kak h LEU 132 CO 0.10 0.94 -0.34 0.44 0.09 0.00 0.00 178.44 179.67 3kak h ASP 133 N 1.12 -1.24 -0.35 -0.43 5.19 -1.46 0.21 116.42 119.45 3kak h ASP 133 Ca 0.26 0.27 -0.07 0.00 -0.62 0.00 0.00 57.03 56.87 3kak h ASP 133 Cb 0.21 0.66 -0.02 0.00 0.18 0.00 0.00 39.33 40.36 3kak h ASP 133 CO -0.02 -0.29 -0.01 0.40 -3.12 0.00 0.00 179.24 176.19 3kak h ILE 134 N -0.06 1.24 -0.34 0.35 2.04 -1.52 -1.02 117.51 118.19 3kak h ILE 134 Ca 0.31 -0.98 -0.05 0.00 1.00 0.00 0.00 64.86 65.15 3kak h ILE 134 Cb 0.59 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3kak h ILE 134 CO -0.86 0.34 0.02 -0.74 0.00 0.00 0.00 178.15 176.92 3kak h HIS 135 N 0.69 0.62 0.29 1.37 2.76 -0.84 -2.83 115.15 117.21 3kak h HIS 135 Ca 0.13 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 3kak h HIS 135 Cb 0.44 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.21 3kak h HIS 135 CO 0.02 0.67 -0.34 0.77 -1.30 0.00 0.00 177.93 177.75 3kak h SER 136 N 0.39 -0.94 -0.98 3.26 0.02 -0.28 -1.59 113.55 113.43 3kak h SER 136 Ca 0.10 0.09 0.19 0.00 -0.84 0.00 0.00 61.79 61.33 3kak h SER 136 Cb 0.41 0.33 -0.18 0.00 0.14 0.00 0.00 62.40 63.09 3kak h SER 136 CO 0.01 -0.47 -0.26 0.11 -1.14 0.00 0.00 176.83 175.09 3kak h LYS 137 N -0.68 -0.00 -0.42 3.45 1.57 -1.18 0.25 116.57 119.56 3kak h LYS 137 Ca -0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3kak h LYS 137 Cb 0.63 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 3kak h LYS 137 CO -0.09 -0.00 0.18 0.52 -0.57 0.00 0.00 179.45 179.49 3kak h MET 138 N -0.00 0.61 -0.58 3.15 2.86 -1.22 -3.01 114.93 116.75 3kak h MET 138 Ca 0.46 -0.10 0.06 0.00 -2.06 0.00 0.00 59.70 58.05 3kak h MET 138 Cb 0.70 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.21 3kak h MET 138 CO -1.00 0.55 0.29 -0.07 1.06 0.00 0.00 176.91 177.74 3kak h LEU 139 N 0.53 0.40 0.00 1.22 4.07 0.25 -2.45 115.31 119.33 3kak h LEU 139 Ca 0.14 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.14 3kak h LEU 139 Cb 0.16 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 41.86 3kak h LEU 139 CO -0.01 0.27 0.00 0.00 -1.08 0.00 0.00 178.44 177.61 3kak n GLN 140 N -4.87 0.00 -0.09 1.13 6.02 0.59 -2.59 117.38 117.56 3kak n GLN 140 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 3kak n GLN 140 Cb 0.17 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 30.01 3kak n GLN 140 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3kak n ILE 141 N -0.91 0.00 -3.55 5.09 -0.00 -0.95 -5.05 119.36 113.99 3kak n ILE 141 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 62.75 62.57 3kak n ILE 141 Cb 0.00 0.28 -0.06 0.00 -0.00 0.00 0.00 39.64 39.86 3kak n ILE 141 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 3kak n ASN 142 N 0.00 0.51 -4.63 4.38 5.15 -1.02 -5.03 115.26 114.61 3kak n ASN 142 Ca 0.00 -0.74 -0.40 0.00 -0.60 0.00 0.00 54.58 52.83 3kak n ASN 142 Cb 0.51 -0.92 -0.06 0.00 -0.53 0.00 0.00 39.78 38.78 3kak n ASN 142 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 3kak s LYS 143 N -5.52 4.13 0.00 1.20 -2.85 -1.19 -5.09 119.74 110.43 3kak s LYS 143 Ca 0.01 0.57 0.00 0.00 -1.00 0.00 0.00 55.97 55.55 3kak s LYS 143 Cb -0.01 -3.63 0.00 0.00 -2.06 0.00 0.00 37.83 32.13 3kak s LYS 143 CO 0.58 -0.38 0.00 -0.25 0.10 0.00 0.00 175.35 175.40 3kak n ASP 146 N 5.57 0.00 -4.69 0.03 9.92 -1.26 -5.16 116.55 120.96 3kak n ASP 146 Ca -0.01 0.00 -0.35 0.00 -0.53 0.00 0.00 54.79 53.90 3kak n ASP 146 Cb 0.49 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.88 3kak n ASP 146 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kak s ILE 147 N -0.42 5.28 -0.02 0.53 1.01 -1.26 -0.38 121.20 125.93 3kak s ILE 147 Ca 0.00 0.14 0.04 0.00 0.00 0.00 0.00 60.65 60.83 3kak s ILE 147 Cb 0.00 -3.42 -0.01 0.00 0.01 0.00 0.00 42.46 39.04 3kak s ILE 147 CO 0.00 0.41 -0.14 -0.13 0.00 0.00 0.00 174.94 175.08 3kak s ARG 148 N 0.58 1.32 0.10 2.79 0.52 0.39 -4.85 118.95 119.80 3kak s ARG 148 Ca 0.07 -0.50 0.00 0.00 -0.52 0.00 0.00 55.73 54.78 3kak s ARG 148 Cb -0.12 -1.22 -0.04 0.00 0.52 0.00 0.00 34.95 34.09 3kak s ARG 148 CO 0.00 0.25 -0.02 0.00 0.02 0.00 0.00 175.30 175.55 3kak s MET 149 N -0.10 0.83 -0.01 3.54 0.23 -1.26 -0.20 119.30 122.34 3kak s MET 149 Ca 0.01 -1.36 -0.08 0.00 -1.03 0.00 0.00 55.69 53.23 3kak s MET 149 Cb -0.08 0.01 0.00 0.00 -1.53 0.00 0.00 34.83 33.23 3kak s MET 149 CO 0.00 -0.12 0.16 0.20 -2.03 0.00 0.00 175.02 173.23 3kak s GLY 150 N -3.03 0.01 -0.30 3.16 0.00 0.11 -4.64 107.32 102.64 3kak s GLY 150 Ca 0.15 -0.03 0.01 0.00 0.00 0.00 0.00 44.72 44.85 3kak s GLY 150 CO -0.04 -0.17 0.04 -0.42 0.00 0.00 0.00 173.10 172.51 3kak s ILE 151 N -1.25 1.50 0.34 0.90 1.01 -1.26 -0.49 121.20 121.95 3kak s ILE 151 Ca -0.13 -1.64 0.04 0.00 0.00 0.00 0.00 60.65 58.92 3kak s ILE 151 Cb -0.07 -2.02 -0.06 0.00 0.01 0.00 0.00 42.46 40.32 3kak s ILE 151 CO 0.02 -0.48 0.05 0.68 0.00 0.00 0.00 174.94 175.21 3kak s VAL 152 N 1.33 1.26 -0.07 2.92 -7.23 -0.66 -4.50 120.40 113.44 3kak s VAL 152 Ca 0.06 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.19 3kak s VAL 152 Cb -0.18 -2.80 0.04 0.00 0.56 0.00 0.00 36.38 34.00 3kak s VAL 152 CO -0.14 0.00 0.17 -0.60 -0.31 0.00 0.00 175.10 174.22 3kak s ARG 153 N -3.87 0.12 -0.25 4.82 3.52 0.50 -1.43 118.95 122.36 3kak s ARG 153 Ca 0.36 0.40 -0.06 0.00 -0.13 0.00 0.00 55.73 56.30 3kak s ARG 153 Cb 0.09 -0.16 -0.01 0.00 -1.56 0.00 0.00 34.95 33.31 3kak s ARG 153 CO 0.16 -0.16 0.03 0.45 -0.81 0.00 0.00 175.30 174.97 3kak s SER 154 N 1.18 4.84 -0.15 -2.12 0.15 -0.19 0.21 113.70 117.61 3kak s SER 154 Ca -0.09 -0.45 -0.10 0.00 0.70 0.00 0.00 55.95 56.01 3kak s SER 154 Cb -0.11 -1.84 -0.05 0.00 -1.71 0.00 0.00 66.02 62.31 3kak s SER 154 CO -0.06 -0.08 0.18 -1.81 1.20 0.00 0.00 173.24 172.66 3kak s ASP 155 N 1.52 6.35 0.19 5.45 1.01 -0.34 -0.63 116.67 130.22 3kak s ASP 155 Ca 0.05 0.41 0.08 0.00 0.71 0.00 0.00 52.55 53.80 3kak s ASP 155 Cb -0.16 -2.11 -0.04 0.00 1.01 0.00 0.00 42.92 41.62 3kak s ASP 155 CO 0.01 0.26 -0.16 -0.31 0.21 0.00 0.00 175.17 175.17 3kak s TYR 156 N -0.22 1.78 0.01 4.23 2.02 0.34 0.05 117.35 125.56 3kak s TYR 156 Ca 0.13 -0.51 -0.01 0.00 -0.37 0.00 0.00 57.07 56.30 3kak s TYR 156 Cb -0.12 -0.85 -0.01 0.00 -0.40 0.00 0.00 41.96 40.57 3kak s TYR 156 CO 0.02 0.36 0.00 -1.64 -1.57 0.00 0.00 175.55 172.72 3kak s MET 157 N -3.22 0.31 0.09 -0.62 -1.94 -0.49 -1.11 119.30 112.32 3kak s MET 157 Ca 0.19 -0.52 -0.29 0.00 -1.71 0.00 0.00 55.69 53.36 3kak s MET 157 Cb -0.03 0.12 -0.05 0.00 2.01 0.00 0.00 34.83 36.87 3kak s MET 157 CO 0.07 -0.06 0.92 0.42 -0.01 0.00 0.00 175.02 176.36 3kak s ILE 158 N -1.32 4.59 -0.12 2.53 1.01 -1.26 -0.36 121.20 126.27 3kak s ILE 158 Ca -0.14 1.97 -0.01 0.00 0.00 0.00 0.00 60.65 62.46 3kak s ILE 158 Cb -0.09 -4.28 -0.03 0.00 0.01 0.00 0.00 42.46 38.08 3kak s ILE 158 CO -0.01 0.31 -0.07 -0.62 0.00 0.00 0.00 174.94 174.56 3kak s ASP 159 N 0.08 4.59 0.00 3.58 2.15 -0.24 -3.79 116.67 123.04 3kak s ASP 159 Ca 0.45 -0.12 0.24 0.00 0.43 0.00 0.00 52.55 53.55 3kak s ASP 159 Cb -0.22 -1.51 1.05 0.00 -0.30 0.00 0.00 42.92 41.94 3kak s ASP 159 CO 0.28 0.25 1.77 -0.62 -0.17 0.00 0.00 175.17 176.67 3kak n GLU 160 N 3.01 0.07 -0.04 4.34 -0.58 0.15 -0.45 120.64 127.14 3kak n GLU 160 Ca -0.18 0.09 -0.02 0.00 -0.42 0.00 0.00 57.16 56.63 3kak n GLU 160 Cb 0.53 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.89 3kak n GLU 160 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3kak h LYS 161 N 0.00 0.00 0.00 3.49 3.64 -1.95 -3.38 116.57 118.37 3kak h LYS 161 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3kak h LYS 161 Cb 0.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3kak h LYS 161 CO 0.00 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.43 3kak n THR 162 N -3.78 0.62 -1.65 1.00 -2.24 -1.25 -4.91 114.28 102.06 3kak n THR 162 Ca -0.03 -0.06 -0.20 0.00 -2.27 0.00 0.00 64.05 61.48 3kak n THR 162 Cb 0.13 -0.77 -0.08 0.00 -2.10 0.00 0.00 70.33 67.50 3kak n THR 162 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3kak n LYS 163 N -2.11 -1.41 -3.09 -0.78 4.01 0.41 -4.99 118.16 110.19 3kak n LYS 163 Ca 0.05 1.19 -0.29 0.00 -0.51 0.00 0.00 58.31 58.74 3kak n LYS 163 Cb 0.34 -5.56 -0.03 0.00 -0.51 0.00 0.00 35.03 29.27 3kak n LYS 163 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 3kak s SER 164 N -2.73 6.47 -0.22 4.39 0.01 -1.16 -4.74 113.70 115.72 3kak s SER 164 Ca 0.00 0.90 -0.29 0.00 1.31 0.00 0.00 55.95 57.87 3kak s SER 164 Cb 0.00 -2.22 0.01 0.00 0.21 0.00 0.00 66.02 64.01 3kak s SER 164 CO 0.00 -0.31 1.08 -0.22 0.41 0.00 0.00 173.24 174.20 3kak s LEU 165 N -3.76 4.11 -0.04 2.44 2.96 -1.26 -1.08 118.68 122.05 3kak s LEU 165 Ca 0.47 1.43 0.07 0.00 -0.22 0.00 0.00 54.13 55.88 3kak s LEU 165 Cb -0.10 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.03 3kak s LEU 165 CO 0.31 -0.69 -0.25 -0.76 -1.32 0.00 0.00 176.35 173.65 3kak s LEU 166 N 3.26 2.05 0.07 -0.68 1.43 0.52 -4.25 118.68 121.08 3kak s LEU 166 Ca 0.46 -0.48 -0.30 0.00 -1.03 0.00 0.00 54.13 52.78 3kak s LEU 166 Cb -0.16 -1.32 -0.05 0.00 0.03 0.00 0.00 46.19 44.68 3kak s LEU 166 CO 0.08 0.27 1.15 -1.58 0.23 0.00 0.00 176.35 176.50 3kak s GLN 167 N -0.34 4.47 -0.17 1.70 0.74 0.24 -1.39 119.66 124.91 3kak s GLN 167 Ca 0.02 1.71 0.12 0.00 0.05 0.00 0.00 55.36 57.26 3kak s GLN 167 Cb -0.12 -3.36 -0.19 0.00 1.10 0.00 0.00 33.01 30.44 3kak s GLN 167 CO 0.02 -0.18 0.01 0.44 -0.55 0.00 0.00 175.29 175.03 3kak n ILE 168 N 3.72 1.14 -3.68 -2.34 -5.35 0.11 -4.59 119.36 108.36 3kak n ILE 168 Ca 0.08 -0.65 -0.15 0.00 -0.27 0.00 0.00 62.75 61.76 3kak n ILE 168 Cb 0.47 -0.69 -0.08 0.00 -1.74 0.00 0.00 39.64 37.60 3kak n ILE 168 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3kak s GLU 169 N -2.40 0.77 -0.26 6.28 2.56 -1.05 -5.01 118.70 119.59 3kak s GLU 169 Ca -0.12 0.05 -0.03 0.00 0.00 0.00 0.00 54.97 54.87 3kak s GLU 169 Cb 0.05 0.35 0.02 0.00 2.00 0.00 0.00 34.13 36.56 3kak s GLU 169 CO 0.64 -0.21 -0.02 1.41 -0.56 0.00 0.00 175.26 176.51 3kak s MET 170 N -1.09 2.88 -0.38 4.30 -2.45 -1.26 -1.20 119.30 120.09 3kak s MET 170 Ca -0.11 -0.96 -0.19 0.00 -1.25 0.00 0.00 55.69 53.18 3kak s MET 170 Cb -0.03 -3.09 0.01 0.00 1.25 0.00 0.00 34.83 32.96 3kak s MET 170 CO 0.06 -0.42 0.54 -0.80 1.05 0.00 0.00 175.02 175.45 3kak s ASN 171 N 1.36 6.31 0.00 1.11 0.01 0.55 -4.79 114.94 119.50 3kak s ASN 171 Ca 0.00 -0.17 0.25 0.00 -0.71 0.00 0.00 52.86 52.23 3kak s ASN 171 Cb -0.17 -2.28 0.38 0.00 0.41 0.00 0.00 41.25 39.60 3kak s ASN 171 CO -0.03 -0.57 1.35 0.35 -1.51 0.00 0.00 177.10 176.69 3kak n THR 172 N 5.54 0.00 -3.74 1.60 -2.24 -1.26 -0.37 114.28 113.80 3kak n THR 172 Ca -0.04 -0.29 -0.12 0.00 -2.27 0.00 0.00 64.05 61.32 3kak n THR 172 Cb 0.48 1.01 -0.11 0.00 -2.10 0.00 0.00 70.33 69.62 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 -2.28 -0.01 -1.30 2.28 2.07 -1.26 -4.62 121.20 116.08 3kak s ILE 173 Ca 0.26 0.03 -0.19 0.00 -1.41 0.00 0.00 60.65 59.34 3kak s ILE 173 Cb 0.19 -0.50 0.02 0.00 0.13 0.00 0.00 42.46 42.30 3kak s ILE 173 CO 0.45 0.01 0.53 -0.24 -1.91 0.00 0.00 174.94 173.78 3kak n SER 174 N 3.26 -2.73 -4.65 4.50 2.88 -1.22 -4.89 113.62 110.77 3kak n SER 174 Ca -0.16 -1.18 -0.43 0.00 -1.33 0.00 0.00 58.87 55.77 3kak n SER 174 Cb 0.57 -2.29 -0.02 0.00 -0.75 0.00 0.00 64.21 61.72 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 -3.76 4.60 0.82 2.46 -4.23 -1.26 -4.94 115.64 109.33 3kak s THR 175 Ca 0.31 1.86 -0.12 0.00 -1.18 0.00 0.00 61.69 62.56 3kak s THR 175 Cb -0.15 -4.36 0.08 0.00 1.34 0.00 0.00 72.50 69.42 3kak s THR 175 CO 0.94 -0.33 1.16 -0.44 -0.54 0.00 0.00 174.62 175.41 3kak s SER 176 N 1.43 4.39 -0.23 3.99 0.01 -1.26 -4.63 113.70 117.40 3kak s SER 176 Ca 0.44 0.89 -0.00 0.00 1.31 0.00 0.00 55.95 58.60 3kak s SER 176 Cb -0.14 -1.46 0.00 0.00 0.21 0.00 0.00 66.02 64.64 3kak s SER 176 CO 0.11 -1.99 0.00 0.49 0.41 0.00 0.00 173.24 172.26 3kak n PHE 177 N -3.39 -0.13 -0.03 2.43 3.72 -1.26 -4.97 117.46 113.83 3kak n PHE 177 Ca 0.07 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.32 3kak n PHE 177 Cb 0.60 -1.38 -0.09 0.00 -0.94 0.00 0.00 39.48 37.67 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 0.13 0.15 0.29 4.37 0.00 -1.91 -1.76 119.26 120.52 3kak h ALA 178 Ca -0.06 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 3kak h ALA 178 Cb 1.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3kak h ALA 178 CO 0.07 0.29 -0.14 1.25 0.00 0.00 0.00 179.25 180.72 3kak h LEU 179 N -0.04 -0.33 -0.60 0.00 5.85 -1.92 -2.82 115.31 115.45 3kak h LEU 179 Ca -0.03 -0.21 0.12 0.00 0.84 0.00 0.00 57.88 58.60 3kak h LEU 179 Cb 1.09 0.08 -0.12 0.00 0.37 0.00 0.00 40.66 42.09 3kak h LEU 179 CO 0.09 0.12 -0.20 0.40 -0.34 0.00 0.00 178.44 178.51 3kak h ILE 180 N -0.88 0.32 -0.51 4.05 5.03 -1.95 0.24 117.51 123.80 3kak h ILE 180 Ca -0.04 0.00 -0.04 0.00 -0.12 0.00 0.00 64.86 64.66 3kak h ILE 180 Cb 0.51 0.32 -0.02 0.00 -3.03 0.00 0.00 36.82 34.60 3kak h ILE 180 CO 0.06 0.00 0.14 1.23 -0.68 0.00 0.00 178.15 178.91 3kak h GLY 181 N -0.05 0.82 1.20 5.37 0.00 -1.42 -1.80 103.07 107.18 3kak h GLY 181 Ca 0.28 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3kak h GLY 181 CO -0.64 0.42 -0.60 0.00 0.00 0.00 0.00 176.54 175.72 3kak h LEU 183 N 0.00 0.00 -0.09 0.00 3.38 -0.55 -3.11 115.31 114.94 3kak h LEU 183 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3kak h LEU 183 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3kak h LEU 183 CO 0.00 0.41 -0.26 0.24 0.09 0.00 0.00 178.44 178.91 3kak h MET 184 N 0.00 0.34 -1.00 1.13 2.86 -0.98 0.21 114.93 117.49 3kak h MET 184 Ca -0.00 -0.24 0.21 0.00 -2.06 0.00 0.00 59.70 57.60 3kak h MET 184 Cb 0.86 0.04 -0.11 0.00 0.06 0.00 0.00 31.60 32.45 3kak h MET 184 CO 0.05 0.86 0.61 1.15 1.06 0.00 0.00 176.91 180.65 3kak h THR 185 N -0.12 0.65 -0.01 2.22 2.02 -1.47 0.77 112.91 116.97 3kak h THR 185 Ca -0.01 -0.23 -0.17 0.00 0.77 0.00 0.00 66.41 66.77 3kak h THR 185 Cb 0.88 -0.08 0.01 0.00 -1.74 0.00 0.00 68.15 67.22 3kak h THR 185 CO 0.06 0.12 -0.67 1.23 0.37 0.00 0.00 175.52 176.63 3kak h GLY 186 N 0.67 0.52 0.33 2.16 0.00 -1.31 -0.93 103.07 104.51 3kak h GLY 186 Ca 0.59 -0.90 0.03 0.00 0.00 0.00 0.00 47.33 47.06 3kak h GLY 186 CO -0.38 0.79 -0.29 -2.00 0.00 0.00 0.00 176.54 174.66 3kak h LEU 187 N -0.00 -0.87 -0.96 3.11 5.85 0.09 -0.36 115.31 122.16 3kak h LEU 187 Ca -0.08 0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.65 3kak h LEU 187 Cb 1.36 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 42.73 3kak h LEU 187 CO 0.13 -0.35 -0.39 0.45 -0.34 0.00 0.00 178.44 177.94 3kak h HIS 188 N -0.43 0.31 -0.12 1.25 3.86 -0.84 -0.04 115.15 119.15 3kak h HIS 188 Ca 0.07 -0.08 -0.15 0.00 -1.16 0.00 0.00 60.37 59.05 3kak h HIS 188 Cb 0.52 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 3kak h HIS 188 CO -0.33 0.62 -0.56 0.87 0.86 0.00 0.00 177.93 179.39 3kak h LYS 189 N 0.22 0.36 -0.24 2.45 1.57 -1.01 -0.84 116.57 119.08 3kak h LYS 189 Ca 0.02 -0.23 -0.11 0.00 -1.87 0.00 0.00 60.65 58.47 3kak h LYS 189 Cb 0.78 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.12 3kak h LYS 189 CO 0.06 0.82 -0.28 0.77 -0.57 0.00 0.00 179.45 180.25 3kak h SER 190 N 0.27 0.65 -0.20 0.86 0.02 -0.41 0.72 113.55 115.47 3kak h SER 190 Ca 0.00 -0.49 0.02 0.00 -0.84 0.00 0.00 61.79 60.48 3kak h SER 190 Cb 1.06 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.39 3kak h SER 190 CO 0.09 1.01 0.07 -0.07 -1.14 0.00 0.00 176.83 176.79 3kak h LEU 191 N 0.31 0.07 -0.83 5.07 3.38 -0.86 -1.68 115.31 120.78 3kak h LEU 191 Ca 0.03 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 3kak h LEU 191 Cb 0.84 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 3kak h LEU 191 CO 0.07 0.07 -0.05 -0.07 0.09 0.00 0.00 178.44 178.55 3kak h LEU 192 N 0.16 0.80 -2.02 1.67 3.38 -1.17 0.21 115.31 118.34 3kak h LEU 192 Ca 0.09 -0.22 0.14 0.00 0.09 0.00 0.00 57.88 57.98 3kak h LEU 192 Cb 0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3kak h LEU 192 CO -0.09 0.90 0.39 0.28 0.09 0.00 0.00 178.44 180.00 3kak h SER 193 N 0.75 0.00 0.03 -0.43 0.02 0.03 0.24 113.55 114.20 3kak h SER 193 Ca 0.14 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.70 3kak h SER 193 Cb 0.53 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.02 3kak h SER 193 CO 0.03 0.00 -2.25 1.67 -1.14 0.00 0.00 176.83 175.14 3kak n GLN 194 N -4.16 0.66 0.00 3.45 -0.06 -0.44 -4.54 117.38 112.28 3kak n GLN 194 Ca 0.09 0.24 0.06 0.00 -2.00 0.00 0.00 57.00 55.39 3kak n GLN 194 Cb 0.60 -1.59 0.01 0.00 -4.06 0.00 0.00 30.24 25.20 3kak n GLN 194 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 3kak n TYR 195 N -3.62 0.00 0.00 3.69 4.02 0.61 -4.91 117.16 116.95 3kak n TYR 195 Ca -0.43 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.46 3kak n TYR 195 Cb 0.96 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.28 3kak n TYR 195 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kak n GLY 196 N 0.88 -2.82 0.44 2.72 0.00 0.83 -2.79 105.19 104.45 3kak n GLY 196 Ca 0.05 0.39 0.23 0.00 0.00 0.00 0.00 46.02 46.69 3kak n GLY 196 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3kak h LYS 197 N 0.00 0.00 0.00 1.61 5.09 -1.81 1.16 116.57 122.62 3kak h LYS 197 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 3kak h LYS 197 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 3kak h LYS 197 CO 0.00 0.00 0.00 0.34 -2.09 0.00 0.00 179.45 177.70 3kak n PHE 198 N -3.48 0.17 0.00 0.07 -0.00 -1.12 -3.49 117.46 109.61 3kak n PHE 198 Ca 0.13 0.07 0.00 0.00 -0.00 0.00 0.00 57.45 57.66 3kak n PHE 198 Cb 0.97 -0.62 0.00 0.00 -0.00 0.00 0.00 39.48 39.83 3kak n PHE 198 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 3kak n LEU 199 N -1.66 0.00 0.00 -2.13 4.77 0.37 -5.04 117.00 113.30 3kak n LEU 199 Ca 0.02 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 3kak n LEU 199 Cb 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3kak n LEU 199 CO 0.11 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 3kak n GLY 200 N 0.59 0.89 3.26 -0.72 0.00 0.70 -4.94 105.19 104.97 3kak n GLY 200 Ca 0.00 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 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 2.25 -0.13 0.99 1.43 -0.96 -4.91 118.68 117.35 3kak s LEU 201 Ca 0.00 -0.62 -0.01 0.00 -1.03 0.00 0.00 54.13 52.47 3kak s LEU 201 Cb 0.00 -0.88 -0.02 0.00 0.03 0.00 0.00 46.19 45.32 3kak s LEU 201 CO 0.00 0.08 -0.10 0.21 0.23 0.00 0.00 176.35 176.77 3kak s ASN 202 N -1.64 4.29 0.66 2.29 2.47 -1.26 -3.19 114.94 118.57 3kak s ASN 202 Ca 0.06 -0.24 0.28 0.00 0.42 0.00 0.00 52.86 53.38 3kak s ASN 202 Cb -0.10 -1.59 1.52 0.00 -1.45 0.00 0.00 41.25 39.63 3kak s ASN 202 CO 0.03 0.19 1.85 0.77 -3.72 0.00 0.00 177.10 176.23 3kak h SER 203 N 6.52 0.00 -0.17 -4.21 4.64 -1.88 -2.37 113.55 116.08 3kak h SER 203 Ca -0.30 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.07 3kak h SER 203 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 3kak h SER 203 CO 0.57 0.00 0.20 0.78 -0.87 0.00 0.00 176.83 177.51 3kak h ASN 204 N 0.00 0.00 -0.03 4.97 4.21 -1.96 0.18 115.58 122.94 3kak h ASN 204 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3kak h ASN 204 Cb 0.77 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.97 3kak h ASN 204 CO -0.00 0.00 -0.03 0.54 -1.29 0.00 0.00 177.43 176.65 3kak n ARG 205 N -3.75 2.03 -2.91 0.81 5.12 -0.89 -4.63 116.66 112.43 3kak n ARG 205 Ca 0.01 -1.76 -0.43 0.00 -1.93 0.00 0.00 57.85 53.75 3kak n ARG 205 Cb 0.32 -1.43 -0.05 0.00 -1.16 0.00 0.00 32.46 30.14 3kak n ARG 205 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3kak s VAL 206 N -1.89 4.63 0.43 1.55 1.01 0.61 0.25 120.40 127.00 3kak s VAL 206 Ca 0.25 0.75 -0.23 0.00 0.00 0.00 0.00 61.98 62.75 3kak s VAL 206 Cb 0.18 -4.31 -0.08 0.00 0.00 0.00 0.00 36.38 32.18 3kak s VAL 206 CO 0.30 -0.62 1.13 -2.84 0.00 0.00 0.00 175.10 173.06 3kak s PRO 207 N 3.35 3.92 0.49 2.72 0.02 -1.26 -4.97 135.00 139.27 3kak s PRO 207 Ca 0.33 1.70 -0.21 0.00 0.02 0.00 0.00 61.00 62.84 3kak s PRO 207 Cb -0.12 -2.48 -0.10 0.00 0.02 0.00 0.00 34.50 31.83 3kak s PRO 207 CO 0.21 -0.40 0.73 0.00 -0.33 0.00 0.00 177.00 177.21 3kak n ALA 208 N -0.29 -0.68 -3.35 -1.55 0.00 -1.26 -4.96 120.51 108.41 3kak n ALA 208 Ca 0.06 0.10 -0.13 0.00 0.00 0.00 0.00 53.44 53.48 3kak n ALA 208 Cb 0.48 -1.92 -0.13 0.00 0.00 0.00 0.00 19.45 17.88 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 -1.00 -0.17 -0.10 0.00 3.84 -1.26 -4.95 114.94 111.30 3kak s ASN 209 Ca 0.67 0.35 0.13 0.00 0.21 0.00 0.00 52.86 54.22 3kak s ASN 209 Cb -0.51 0.30 0.26 0.00 -0.55 0.00 0.00 41.25 40.74 3kak s ASN 209 CO 0.55 -0.10 1.13 -0.46 -2.79 0.00 0.00 177.10 175.43 3kak n ASN 210 N 3.54 1.46 -0.18 -4.21 0.23 -1.26 -4.96 115.26 109.88 3kak n ASN 210 Ca -0.19 -2.84 -0.01 0.00 -0.53 0.00 0.00 54.58 51.01 3kak n ASN 210 Cb 0.56 -0.37 0.07 0.00 -2.08 0.00 0.00 39.78 37.95 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 0.31 0.49 -0.28 -2.53 0.00 -1.80 -1.65 119.26 113.81 3kak h ALA 211 Ca -0.03 0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 3kak h ALA 211 Cb 1.21 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 3kak h ALA 211 CO 0.01 -0.40 -0.44 -0.24 0.00 0.00 0.00 179.25 178.18 3kak h VAL 212 N 0.09 1.29 -0.65 0.00 3.04 -1.85 0.05 116.25 118.21 3kak h VAL 212 Ca 0.28 -1.63 -0.02 0.00 -1.01 0.00 0.00 66.70 64.32 3kak h VAL 212 Cb 0.43 1.65 -0.03 0.00 -2.01 0.00 0.00 31.29 31.33 3kak h VAL 212 CO -0.49 0.52 0.35 0.44 -1.01 0.00 0.00 177.57 177.38 3kak h ASP 213 N 0.54 0.83 -0.86 3.17 3.32 -1.73 -2.16 116.42 119.52 3kak h ASP 213 Ca 0.02 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3kak h ASP 213 Cb 1.03 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.33 3kak h ASP 213 CO 0.10 0.70 0.54 1.56 -1.72 0.00 0.00 179.24 180.42 3kak h GLN 214 N 0.90 1.16 0.10 3.56 1.08 -1.17 0.30 115.11 121.04 3kak h GLN 214 Ca 0.23 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 3kak h GLN 214 Cb 0.07 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.24 3kak h GLN 214 CO -0.03 0.79 -0.08 1.03 -0.95 0.00 0.00 178.83 179.59 3kak h SER 215 N 1.18 -0.21 -0.21 1.46 0.87 -0.37 -1.43 113.55 114.84 3kak h SER 215 Ca 0.31 0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.80 3kak h SER 215 Cb -0.09 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 3kak h SER 215 CO -0.06 -0.13 -0.15 0.00 -0.53 0.00 0.00 176.83 175.96 3kak h ALA 216 N 0.70 1.10 -0.10 6.23 0.00 -1.14 -2.38 119.26 123.66 3kak h ALA 216 Ca -0.00 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 3kak h ALA 216 Cb 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3kak h ALA 216 CO -0.01 0.56 -0.27 1.49 0.00 0.00 0.00 179.25 181.02 3kak h GLU 217 N 0.56 0.19 -0.13 0.00 4.81 -0.77 -0.51 114.58 118.73 3kak h GLU 217 Ca 0.10 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 3kak h GLU 217 Cb 0.58 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.94 3kak h GLU 217 CO 0.04 0.45 -0.26 0.00 -0.73 0.00 0.00 179.01 178.51 3kak h ALA 218 N 1.56 0.20 -0.83 2.92 0.00 -0.75 -2.19 119.26 120.17 3kak h ALA 218 Ca 0.03 -0.39 0.14 0.00 0.00 0.00 0.00 54.91 54.69 3kak h ALA 218 Cb 0.57 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 3kak h ALA 218 CO 0.04 0.19 0.42 -0.07 0.00 0.00 0.00 179.25 179.83 3kak h LEU 219 N -0.01 0.50 -0.12 0.00 3.38 -1.46 -1.56 115.31 116.03 3kak h LEU 219 Ca 0.00 0.09 -0.19 0.00 0.09 0.00 0.00 57.88 57.87 3kak h LEU 219 Cb 0.85 0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.63 3kak h LEU 219 CO 0.06 0.21 -0.68 0.00 0.09 0.00 0.00 178.44 178.12 3kak h ALA 220 N 1.55 0.25 -0.80 1.53 0.00 -0.89 -2.59 119.26 118.31 3kak h ALA 220 Ca 0.45 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3kak h ALA 220 Cb 0.64 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 3kak h ALA 220 CO -0.36 0.56 0.44 0.87 0.00 0.00 0.00 179.25 180.76 3kak h LYS 221 N 0.36 1.11 -0.50 0.00 6.56 -1.35 -0.47 116.57 122.29 3kak h LYS 221 Ca -0.05 -0.12 -0.04 0.00 -1.06 0.00 0.00 60.65 59.38 3kak h LYS 221 Cb 1.32 -0.22 -0.02 0.00 -0.57 0.00 0.00 32.23 32.74 3kak h LYS 221 CO 0.14 0.81 0.14 0.00 -2.06 0.00 0.00 179.45 178.48 3kak h ALA 222 N 1.37 0.65 -0.89 3.86 0.00 -1.12 -0.87 119.26 122.26 3kak h ALA 222 Ca 0.28 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3kak h ALA 222 Cb 0.02 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 3kak h ALA 222 CO -0.05 0.32 0.58 2.35 0.00 0.00 0.00 179.25 182.46 3kak h TRP 223 N 0.67 1.10 -0.06 0.00 7.01 -1.06 -1.40 115.95 122.22 3kak h TRP 223 Ca 0.16 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.18 3kak h TRP 223 Cb 0.29 -0.37 -0.00 0.00 -2.10 0.00 0.00 29.16 26.98 3kak h TRP 223 CO 0.02 0.66 0.03 0.77 -2.79 0.00 0.00 178.44 177.12 3kak h SER 224 N 1.16 0.07 -0.28 2.65 0.02 -0.99 -2.79 113.55 113.39 3kak h SER 224 Ca 0.34 -0.10 0.06 0.00 -0.84 0.00 0.00 61.79 61.26 3kak h SER 224 Cb -0.05 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.40 3kak h SER 224 CO -0.10 0.15 -0.14 -0.33 -1.14 0.00 0.00 176.83 175.27 3kak h GLU 225 N -0.01 -0.10 -0.88 3.45 4.39 -0.64 0.21 114.58 121.00 3kak h GLU 225 Ca 0.02 0.01 0.25 0.00 0.34 0.00 0.00 59.36 59.98 3kak h GLU 225 Cb 0.09 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.73 3kak h GLU 225 CO -0.00 -0.07 0.71 -0.92 -1.16 0.00 0.00 179.01 177.57 3kak h TYR 226 N -0.11 0.00 -6.52 4.33 5.03 -1.31 -3.46 116.97 114.93 3kak h TYR 226 Ca 0.15 0.00 -0.50 0.00 2.58 0.00 0.00 58.73 60.95 3kak h TYR 226 Cb 0.33 0.00 -0.07 0.00 1.55 0.00 0.00 36.73 38.54 3kak h TYR 226 CO -0.33 0.00 -0.88 -1.71 -1.32 0.00 0.00 178.16 173.92 3kak n ASN 227 N -4.01 -0.74 -4.12 -2.11 5.15 0.75 -4.96 115.26 105.22 3kak n ASN 227 Ca 0.18 -1.00 -0.35 0.00 -0.60 0.00 0.00 54.58 52.82 3kak n ASN 227 Cb 1.01 -3.05 -0.13 0.00 -0.53 0.00 0.00 39.78 37.09 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 -4.23 5.02 0.00 1.20 3.84 -1.26 -5.02 114.94 114.50 3kak s ASN 228 Ca 0.10 -1.80 0.29 0.00 0.21 0.00 0.00 52.86 51.66 3kak s ASN 228 Cb -0.05 -1.75 1.63 0.00 -0.55 0.00 0.00 41.25 40.53 3kak s ASN 228 CO 0.89 -0.41 2.03 -0.81 -2.79 0.00 0.00 177.10 176.01 3kak n PRO 229 N 4.53 0.75 0.00 0.43 -0.04 -1.26 -1.26 135.00 138.16 3kak n PRO 229 Ca -0.05 0.01 0.11 0.00 -0.04 0.00 0.00 63.50 63.53 3kak n PRO 229 Cb 0.42 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.45 3kak n PRO 229 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3kak n ARG 230 N -1.08 1.18 -2.94 0.54 1.74 -1.26 -4.98 116.66 109.84 3kak n ARG 230 Ca 0.19 -0.94 -0.36 0.00 -0.77 0.00 0.00 57.85 55.98 3kak n ARG 230 Cb 0.13 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 30.03 3kak n ARG 230 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kak s ALA 231 N -2.47 3.28 0.55 7.54 0.00 -0.39 -4.53 121.76 125.74 3kak s ALA 231 Ca 0.20 0.32 0.05 0.00 0.00 0.00 0.00 51.96 52.53 3kak s ALA 231 Cb 0.18 -3.00 0.06 0.00 0.00 0.00 0.00 23.12 20.36 3kak s ALA 231 CO 0.56 0.24 0.76 0.00 0.00 0.00 0.00 175.76 177.32 3kak s ALA 232 N -1.68 4.24 -0.20 0.00 0.00 0.14 -4.66 121.76 119.61 3kak s ALA 232 Ca 0.49 -1.69 -0.10 0.00 0.00 0.00 0.00 51.96 50.66 3kak s ALA 232 Cb -0.16 -1.79 -0.05 0.00 0.00 0.00 0.00 23.12 21.12 3kak s ALA 232 CO 0.21 -0.76 0.13 0.42 0.00 0.00 0.00 175.76 175.75 3kak s ILE 233 N -2.69 5.40 -0.16 0.00 1.01 0.45 -2.38 121.20 122.84 3kak s ILE 233 Ca 0.59 0.19 -0.19 0.00 0.00 0.00 0.00 60.65 61.24 3kak s ILE 233 Cb -0.08 -3.46 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 3kak s ILE 233 CO 0.38 0.45 0.54 -0.22 0.00 0.00 0.00 174.94 176.09 3kak s LEU 234 N 0.31 4.20 -0.24 2.97 2.96 0.06 0.23 118.68 129.18 3kak s LEU 234 Ca 0.08 0.80 -0.01 0.00 -0.22 0.00 0.00 54.13 54.78 3kak s LEU 234 Cb -0.11 -2.77 0.03 0.00 0.50 0.00 0.00 46.19 43.83 3kak s LEU 234 CO -0.02 -0.14 -0.08 0.54 -1.32 0.00 0.00 176.35 175.34 3kak s VAL 235 N 1.30 2.78 -0.24 1.68 0.11 0.40 0.31 120.40 126.73 3kak s VAL 235 Ca 0.27 -1.02 -0.29 0.00 -2.93 0.00 0.00 61.98 58.00 3kak s VAL 235 Cb -0.16 -2.39 0.01 0.00 -1.53 0.00 0.00 36.38 32.31 3kak s VAL 235 CO 0.11 0.23 1.10 -0.69 -3.33 0.00 0.00 175.10 172.52 3kak s VAL 236 N 1.32 4.54 0.35 2.04 1.01 -0.65 -1.82 120.40 127.19 3kak s VAL 236 Ca 0.00 1.84 0.04 0.00 0.00 0.00 0.00 61.98 63.86 3kak s VAL 236 Cb -0.16 -4.27 -0.06 0.00 0.00 0.00 0.00 36.38 31.89 3kak s VAL 236 CO -0.05 -0.25 0.06 0.68 0.00 0.00 0.00 175.10 175.54 3kak s VAL 237 N 3.42 1.13 0.37 2.92 -7.23 -0.89 -0.27 120.40 119.85 3kak s VAL 237 Ca 0.47 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.58 3kak s VAL 237 Cb -0.16 -2.71 -0.05 0.00 0.56 0.00 0.00 36.38 34.03 3kak s VAL 237 CO 0.10 0.00 0.66 -1.10 -0.31 0.00 0.00 175.10 174.46 3kak s GLN 238 N -3.85 3.63 0.19 4.82 -0.21 -1.26 -4.26 119.66 118.71 3kak s GLN 238 Ca 0.33 0.13 -0.13 0.00 0.02 0.00 0.00 55.36 55.71 3kak s GLN 238 Cb 0.08 -2.52 0.10 0.00 1.00 0.00 0.00 33.01 31.67 3kak s GLN 238 CO 0.15 0.04 1.85 0.28 -2.12 0.00 0.00 175.29 175.49 3kak h VAL 239 N 0.94 1.15 -3.52 1.09 2.07 -1.97 -3.36 116.25 112.64 3kak h VAL 239 Ca -0.48 -0.28 -0.71 0.00 0.82 0.00 0.00 66.70 66.05 3kak h VAL 239 Cb 1.20 0.27 -0.27 0.00 -1.52 0.00 0.00 31.29 30.97 3kak h VAL 239 CO 0.64 0.15 -0.50 -0.70 0.02 0.00 0.00 177.57 177.18 3kak s GLU 240 N -6.15 2.69 -0.48 1.57 2.56 -1.26 -4.72 118.70 112.92 3kak s GLU 240 Ca -0.13 -1.29 0.03 0.00 0.00 0.00 0.00 54.97 53.58 3kak s GLU 240 Cb 0.13 -3.74 0.15 0.00 2.00 0.00 0.00 34.13 32.67 3kak s GLU 240 CO 0.76 -0.83 0.29 -2.00 -0.56 0.00 0.00 175.26 172.91 3kak s GLU 241 N 1.48 1.41 0.12 4.30 2.56 0.25 -4.93 118.70 123.88 3kak s GLU 241 Ca 0.02 -2.22 0.23 0.00 0.00 0.00 0.00 54.97 52.99 3kak s GLU 241 Cb -0.21 -2.37 0.89 0.00 2.00 0.00 0.00 34.13 34.44 3kak s GLU 241 CO 0.04 -1.21 1.70 0.54 -0.56 0.00 0.00 175.26 175.76 3kak n ARG 242 N 3.21 0.11 -1.15 4.30 1.74 -1.26 -1.72 116.66 121.88 3kak n ARG 242 Ca 0.13 0.24 -0.18 0.00 -0.77 0.00 0.00 57.85 57.28 3kak n ARG 242 Cb 0.36 -1.67 0.22 0.00 -1.02 0.00 0.00 32.46 30.36 3kak n ARG 242 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3kak n ASN 243 N -1.87 4.06 0.31 0.55 5.15 -1.26 -1.13 115.26 121.06 3kak n ASN 243 Ca 0.04 -3.50 0.19 0.00 -0.60 0.00 0.00 54.58 50.71 3kak n ASN 243 Cb 0.27 -0.80 1.00 0.00 -0.53 0.00 0.00 39.78 39.72 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 1.53 0.00 0.00 1.20 -0.00 -1.70 -2.97 114.93 112.99 3kak h MET 244 Ca 0.51 0.00 -0.11 0.00 -0.00 0.00 0.00 59.70 60.09 3kak h MET 244 Cb 2.67 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 34.25 3kak h MET 244 CO 0.97 0.02 -0.54 1.88 -0.00 0.00 0.00 176.91 179.24 3kak h TYR 245 N 0.00 0.00 -0.23 -0.10 -1.99 -1.85 -1.25 116.97 111.55 3kak h TYR 245 Ca -0.00 0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.77 3kak h TYR 245 Cb 0.13 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.82 3kak h TYR 245 CO 0.00 0.54 -0.04 1.49 -0.00 0.00 0.00 178.16 180.15 3kak h GLU 246 N 0.00 0.02 0.03 4.88 4.81 -1.85 -2.05 114.58 120.42 3kak h GLU 246 Ca -0.01 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3kak h GLU 246 Cb 1.10 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 3kak h GLU 246 CO 0.07 0.01 -0.09 0.37 -0.73 0.00 0.00 179.01 178.64 3kak h GLN 247 N 0.02 -0.16 -0.22 1.92 -0.00 -1.58 -2.27 115.11 112.81 3kak h GLN 247 Ca 0.11 0.01 0.06 0.00 -0.00 0.00 0.00 58.65 58.84 3kak h GLN 247 Cb 0.16 0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.67 3kak h GLN 247 CO -0.22 -0.11 0.21 0.45 0.00 0.00 0.00 178.83 179.16 3kak h HIS 248 N -0.17 0.00 0.13 3.99 3.86 -1.06 -1.76 115.15 120.14 3kak h HIS 248 Ca 0.02 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.02 3kak h HIS 248 Cb 0.19 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.69 3kak h HIS 248 CO -0.14 0.00 -0.91 -0.92 0.86 0.00 0.00 177.93 176.82 3kak h TYR 249 N 0.00 0.67 -0.54 2.45 5.03 -0.83 0.97 116.97 124.72 3kak h TYR 249 Ca 0.11 -0.46 -0.00 0.00 2.58 0.00 0.00 58.73 60.96 3kak h TYR 249 Cb 0.53 -0.04 -0.03 0.00 1.55 0.00 0.00 36.73 38.74 3kak h TYR 249 CO 0.00 1.33 0.32 0.82 -1.32 0.00 0.00 178.16 179.31 3kak h ILE 250 N -0.18 1.17 -0.93 1.81 2.04 -1.10 0.40 117.51 120.71 3kak h ILE 250 Ca -0.15 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 3kak h ILE 250 Cb 1.68 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 38.16 3kak h ILE 250 CO 0.17 0.17 0.56 0.28 0.00 0.00 0.00 178.15 179.34 3kak h SER 251 N 0.72 1.12 -0.28 1.72 0.02 -1.13 0.10 113.55 115.83 3kak h SER 251 Ca 0.19 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3kak h SER 251 Cb -0.00 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.24 3kak h SER 251 CO -0.04 0.85 0.13 0.00 -1.14 0.00 0.00 176.83 176.64 3kak h ALA 252 N 1.34 0.36 -0.83 3.77 0.00 -0.23 -1.02 119.26 122.65 3kak h ALA 252 Ca 0.33 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3kak h ALA 252 Cb -0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3kak h ALA 252 CO -0.06 -0.08 0.47 -0.07 0.00 0.00 0.00 179.25 179.51 3kak h LEU 253 N 0.32 1.02 -0.59 0.00 3.38 -0.59 0.14 115.31 118.99 3kak h LEU 253 Ca 0.10 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3kak h LEU 253 Cb 0.12 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3kak h LEU 253 CO -0.01 0.82 0.25 -0.07 0.09 0.00 0.00 178.44 179.52 3kak h LEU 254 N 1.15 0.79 0.04 1.67 3.38 -0.67 -1.70 115.31 119.98 3kak h LEU 254 Ca 0.29 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 3kak h LEU 254 Cb 0.01 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.56 3kak h LEU 254 CO -0.05 0.73 -0.47 -0.09 0.09 0.00 0.00 178.44 178.65 3kak h ARG 255 N 0.81 0.25 0.17 1.13 2.43 -0.83 -1.06 114.38 117.28 3kak h ARG 255 Ca 0.20 -0.32 -0.33 0.00 -0.81 0.00 0.00 59.98 58.72 3kak h ARG 255 Cb 0.17 0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3kak h ARG 255 CO -0.02 1.07 -1.57 0.93 -1.51 0.00 0.00 179.97 178.87 3kak h GLU 256 N -0.41 0.36 0.09 0.20 5.08 -0.85 -3.13 114.58 115.91 3kak h GLU 256 Ca -0.07 -0.61 -0.36 0.00 -1.00 0.00 0.00 59.36 57.32 3kak h GLU 256 Cb 1.26 0.23 -0.03 0.00 0.50 0.00 0.00 28.75 30.71 3kak h GLU 256 CO 0.09 1.26 -2.00 1.17 -1.00 0.00 0.00 179.01 178.53 3kak n LYS 257 N -3.56 0.71 0.00 2.33 4.81 -0.67 -4.42 118.16 117.37 3kak n LYS 257 Ca -0.19 0.28 0.10 0.00 -0.87 0.00 0.00 58.31 57.64 3kak n LYS 257 Cb 1.07 -1.68 0.07 0.00 0.02 0.00 0.00 35.03 34.51 3kak n LYS 257 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3kak n HIS 258 N -3.59 0.00 -3.85 5.64 8.25 -0.64 -5.00 115.22 116.03 3kak n HIS 258 Ca -0.35 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 56.84 3kak n HIS 258 Cb 0.99 0.00 0.03 0.00 1.12 0.00 0.00 29.99 32.13 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 0.96 -2.19 -4.87 4.41 8.25 -0.51 -4.93 115.22 116.33 3kak n HIS 259 Ca 0.11 0.89 -0.27 0.00 -0.26 0.00 0.00 57.72 58.19 3kak n HIS 259 Cb 0.50 -4.11 -0.16 0.00 1.12 0.00 0.00 29.99 27.33 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 -3.42 1.52 0.42 1.59 1.01 -0.55 -4.97 121.20 116.80 3kak s ILE 260 Ca 0.46 -0.73 -0.22 0.00 0.00 0.00 0.00 60.65 60.15 3kak s ILE 260 Cb -0.23 -1.32 -0.10 0.00 0.01 0.00 0.00 42.46 40.82 3kak s ILE 260 CO 0.82 0.44 1.00 -0.60 0.00 0.00 0.00 174.94 176.60 3kak s ARG 261 N 0.26 4.17 0.13 2.79 3.52 -1.26 -3.42 118.95 125.15 3kak s ARG 261 Ca -0.10 1.31 0.04 0.00 -0.13 0.00 0.00 55.73 56.86 3kak s ARG 261 Cb -0.14 -2.36 -0.04 0.00 -1.56 0.00 0.00 34.95 30.85 3kak s ARG 261 CO 0.04 -0.10 -0.10 -1.54 -0.81 0.00 0.00 175.30 172.79 3kak s SER 262 N -1.88 1.71 0.02 -2.12 1.04 -1.26 -0.41 113.70 110.80 3kak s SER 262 Ca 0.60 -0.95 0.01 0.00 0.48 0.00 0.00 55.95 56.08 3kak s SER 262 Cb -0.16 -0.01 -0.01 0.00 0.10 0.00 0.00 66.02 65.94 3kak s SER 262 CO 0.20 -0.31 -0.03 0.27 0.98 0.00 0.00 173.24 174.35 3kak s ILE 263 N -3.06 0.21 -0.11 -1.02 -0.00 0.14 -4.86 121.20 112.50 3kak s ILE 263 Ca 0.13 -0.60 0.00 0.00 -0.00 0.00 0.00 60.65 60.19 3kak s ILE 263 Cb 0.01 -0.27 -0.02 0.00 -0.00 0.00 0.00 42.46 42.17 3kak s ILE 263 CO 0.00 -0.25 -0.12 0.00 -0.00 0.00 0.00 174.94 174.57 3kak s ARG 264 N -0.90 3.15 -0.03 0.37 1.70 -1.26 -0.45 118.95 121.53 3kak s ARG 264 Ca -0.08 -0.65 -0.05 0.00 -0.47 0.00 0.00 55.73 54.48 3kak s ARG 264 Cb -0.06 -2.60 0.01 0.00 -0.57 0.00 0.00 34.95 31.72 3kak s ARG 264 CO -0.00 0.36 0.12 0.15 -1.08 0.00 0.00 175.30 174.84 3kak s LYS 265 N -0.02 0.25 0.67 3.89 -0.14 -0.75 -4.96 119.74 118.69 3kak s LYS 265 Ca -0.03 -0.04 -0.11 0.00 -1.36 0.00 0.00 55.97 54.43 3kak s LYS 265 Cb -0.14 0.11 -0.01 0.00 -1.68 0.00 0.00 37.83 36.11 3kak s LYS 265 CO 0.04 -0.05 1.06 0.95 -0.76 0.00 0.00 175.35 176.59 3kak s THR 266 N -0.44 4.11 0.37 2.17 -4.23 -1.26 -2.09 115.64 114.27 3kak s THR 266 Ca -0.05 0.68 0.04 0.00 -1.18 0.00 0.00 61.69 61.19 3kak s THR 266 Cb -0.03 -3.61 0.27 0.00 1.34 0.00 0.00 72.50 70.46 3kak s THR 266 CO 0.00 -0.89 2.02 -0.07 -0.54 0.00 0.00 174.62 175.14 3kak h LEU 267 N -0.55 0.64 -0.82 4.79 -0.00 -1.89 -0.93 115.31 116.55 3kak h LEU 267 Ca -0.44 -0.01 -0.10 0.00 -0.00 0.00 0.00 57.88 57.32 3kak h LEU 267 Cb 1.22 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.71 3kak h LEU 267 CO 0.61 0.45 -0.48 0.00 -0.00 0.00 0.00 178.44 179.03 3kak h THR 268 N 0.75 1.09 -0.20 0.22 1.03 -1.90 -2.12 112.91 111.78 3kak h THR 268 Ca 0.22 -1.79 -0.07 0.00 -0.01 0.00 0.00 66.41 64.76 3kak h THR 268 Cb -0.03 2.04 -0.01 0.00 -1.07 0.00 0.00 68.15 69.08 3kak h THR 268 CO -0.05 0.47 -0.18 -0.33 -0.01 0.00 0.00 175.52 175.41 3kak h GLU 269 N 0.00 0.34 0.00 0.00 5.08 -1.57 -2.56 114.58 115.87 3kak h GLU 269 Ca -0.00 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.16 3kak h GLU 269 Cb 1.00 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 3kak h GLU 269 CO 0.06 0.52 -0.45 0.82 -1.00 0.00 0.00 179.01 178.96 3kak h ILE 270 N 0.32 0.98 -0.21 3.13 2.04 -0.97 0.94 117.51 123.74 3kak h ILE 270 Ca 0.06 -1.77 -0.21 0.00 1.00 0.00 0.00 64.86 63.94 3kak h ILE 270 Cb 0.50 2.06 0.01 0.00 -0.74 0.00 0.00 36.82 38.65 3kak h ILE 270 CO 0.03 0.44 -0.68 -0.78 0.00 0.00 0.00 178.15 177.17 3kak h ASP 271 N 0.00 0.93 0.79 1.72 3.58 -1.00 0.34 116.42 122.79 3kak h ASP 271 Ca -0.00 -0.56 -0.17 0.00 0.42 0.00 0.00 57.03 56.72 3kak h ASP 271 Cb 1.03 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.78 3kak h ASP 271 CO 0.06 1.36 -0.79 1.56 -2.88 0.00 0.00 179.24 178.55 3kak h GLN 272 N 0.58 0.00 0.00 0.28 4.20 -1.44 -3.38 115.11 115.35 3kak h GLN 272 Ca -0.02 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.41 3kak h GLN 272 Cb 1.29 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.02 3kak h GLN 272 CO 0.14 0.79 -2.07 0.39 -0.67 0.00 0.00 178.83 177.42 3kak n GLU 273 N -3.60 0.47 -2.57 1.46 1.02 0.32 -5.00 120.64 112.74 3kak n GLU 273 Ca -0.01 0.11 -0.41 0.00 -0.02 0.00 0.00 57.16 56.84 3kak n GLU 273 Cb 0.76 -1.37 -0.05 0.00 -0.02 0.00 0.00 31.44 30.76 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 -5.81 3.00 0.06 0.62 0.00 0.12 -4.67 107.32 100.64 3kak s GLY 274 Ca -0.25 0.78 0.05 0.00 0.00 0.00 0.00 44.72 45.30 3kak s GLY 274 CO 0.43 1.48 -0.15 0.54 0.00 0.00 0.00 173.10 175.40 3kak s LYS 275 N -0.89 0.90 -0.14 2.90 -0.14 -1.08 -4.86 119.74 116.42 3kak s LYS 275 Ca 0.46 -0.91 -0.05 0.00 -1.36 0.00 0.00 55.97 54.10 3kak s LYS 275 Cb -0.29 -0.94 -0.04 0.00 -1.68 0.00 0.00 37.83 34.89 3kak s LYS 275 CO 0.36 0.22 0.04 0.42 -0.76 0.00 0.00 175.35 175.63 3kak s ILE 276 N -1.12 4.66 0.89 2.17 1.01 -1.26 -1.79 121.20 125.76 3kak s ILE 276 Ca 0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 60.65 60.42 3kak s ILE 276 Cb -0.09 -3.05 0.13 0.00 0.01 0.00 0.00 42.46 39.46 3kak s ILE 276 CO 0.02 0.52 1.19 -0.76 0.00 0.00 0.00 174.94 175.92 3kak s LEU 277 N -0.16 2.31 0.47 2.97 1.43 -0.96 -4.91 118.68 119.84 3kak s LEU 277 Ca 0.07 0.72 0.32 0.00 -1.03 0.00 0.00 54.13 54.20 3kak s LEU 277 Cb -0.12 -3.03 1.48 0.00 0.03 0.00 0.00 46.19 44.55 3kak s LEU 277 CO 0.01 -2.38 1.96 -0.65 0.23 0.00 0.00 176.35 175.52 3kak h PRO 278 N -1.39 0.00 -0.50 1.29 0.11 -2.00 -1.63 132.00 127.89 3kak h PRO 278 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3kak h PRO 278 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3kak h PRO 278 CO 0.57 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.96 3kak n ASP 279 N -2.76 2.73 -0.03 -2.05 5.75 -1.26 -4.97 116.55 113.96 3kak n ASP 279 Ca -0.00 -1.99 -0.00 0.00 -0.01 0.00 0.00 54.79 52.79 3kak n ASP 279 Cb 0.20 -0.33 -0.00 0.00 -1.03 0.00 0.00 41.12 39.96 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 1.32 0.38 3.84 6.12 0.00 -0.61 -4.96 105.19 111.27 3kak n GLY 280 Ca 0.17 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.86 3kak n GLY 280 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kak s THR 281 N -2.01 4.98 0.13 2.61 2.01 -1.26 -1.41 115.64 120.68 3kak s THR 281 Ca 0.00 0.84 -0.26 0.00 0.31 0.00 0.00 61.69 62.58 3kak s THR 281 Cb 0.00 -3.73 -0.07 0.00 0.01 0.00 0.00 72.50 68.71 3kak s THR 281 CO 0.00 0.50 0.80 -0.22 -0.69 0.00 0.00 174.62 175.02 3kak s LEU 282 N -1.28 4.54 -0.24 4.42 2.96 -1.26 -2.26 118.68 125.56 3kak s LEU 282 Ca 0.27 1.62 -0.01 0.00 -0.22 0.00 0.00 54.13 55.80 3kak s LEU 282 Cb -0.17 -3.33 0.07 0.00 0.50 0.00 0.00 46.19 43.26 3kak s LEU 282 CO 0.15 0.12 0.01 -0.55 -1.32 0.00 0.00 176.35 174.76 3kak s SER 283 N -0.69 3.59 0.01 3.68 0.15 -0.74 -1.42 113.70 118.28 3kak s SER 283 Ca 0.38 -1.17 0.08 0.00 0.70 0.00 0.00 55.95 55.94 3kak s SER 283 Cb -0.23 -0.94 -0.03 0.00 -1.71 0.00 0.00 66.02 63.12 3kak s SER 283 CO 0.26 -0.30 -0.25 -0.69 1.20 0.00 0.00 173.24 173.47 3kak s VAL 284 N 1.57 2.21 -0.36 4.45 1.01 -0.40 -2.62 120.40 126.26 3kak s VAL 284 Ca -0.01 -1.21 -0.01 0.00 0.00 0.00 0.00 61.98 60.75 3kak s VAL 284 Cb -0.18 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.38 3kak s VAL 284 CO -0.10 0.47 0.26 -0.90 0.00 0.00 0.00 175.10 174.83 3kak n ASP 285 N 2.08 -2.01 -0.83 3.32 5.68 -1.26 -1.44 116.55 122.10 3kak n ASP 285 Ca -0.16 -0.43 -0.11 0.00 -0.50 0.00 0.00 54.79 53.59 3kak n ASP 285 Cb 0.52 -0.67 -0.05 0.00 -1.14 0.00 0.00 41.12 39.78 3kak n ASP 285 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kak n GLY 286 N -1.01 1.05 3.03 6.12 0.00 -1.26 -5.00 105.19 108.12 3kak n GLY 286 Ca -0.13 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 3kak n GLY 286 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kak s GLN 287 N -2.86 0.46 0.28 1.61 0.74 -0.52 -5.14 119.66 114.24 3kak s GLN 287 Ca 0.00 -0.63 -0.30 0.00 0.05 0.00 0.00 55.36 54.47 3kak s GLN 287 Cb 0.00 -0.24 -0.12 0.00 1.10 0.00 0.00 33.01 33.75 3kak s GLN 287 CO 0.00 0.04 1.59 0.00 -0.55 0.00 0.00 175.29 176.37 3kak n ALA 288 N 1.74 2.40 -3.56 1.58 0.00 -1.26 -1.28 120.51 120.13 3kak n ALA 288 Ca -0.21 0.38 -0.35 0.00 0.00 0.00 0.00 53.44 53.26 3kak n ALA 288 Cb 0.55 -2.45 -0.14 0.00 0.00 0.00 0.00 19.45 17.42 3kak n ALA 288 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3kak s ILE 289 N 0.09 3.22 -0.20 0.00 -1.09 -0.51 0.25 121.20 122.96 3kak s ILE 289 Ca 0.66 -0.70 0.01 0.00 -2.23 0.00 0.00 60.65 58.39 3kak s ILE 289 Cb -0.52 -2.53 -0.21 0.00 -1.58 0.00 0.00 42.46 37.62 3kak s ILE 289 CO 0.47 0.32 0.01 -1.54 -1.23 0.00 0.00 174.94 172.98 3kak n SER 290 N 4.76 1.79 -4.28 3.58 3.41 -1.00 -4.22 113.62 117.65 3kak n SER 290 Ca -0.17 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.12 3kak n SER 290 Cb 0.49 -0.40 -0.16 0.00 -0.26 0.00 0.00 64.21 63.88 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 -2.53 2.25 -0.24 -3.33 1.01 -1.26 -0.70 120.40 115.60 3kak s VAL 291 Ca -0.28 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 60.68 3kak s VAL 291 Cb 0.08 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.61 3kak s VAL 291 CO 0.68 0.56 -0.02 -0.69 0.00 0.00 0.00 175.10 175.63 3kak s VAL 292 N -0.01 3.40 -0.36 2.92 1.01 -0.07 -0.76 120.40 126.53 3kak s VAL 292 Ca -0.07 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 3kak s VAL 292 Cb -0.15 -2.63 0.06 0.00 0.00 0.00 0.00 36.38 33.66 3kak s VAL 292 CO 0.05 0.30 0.15 -0.47 0.00 0.00 0.00 175.10 175.14 3kak s TYR 293 N 1.45 3.31 -0.15 5.22 5.04 0.15 0.11 117.35 132.47 3kak s TYR 293 Ca 0.04 -1.55 -0.29 0.00 -2.44 0.00 0.00 57.07 52.83 3kak s TYR 293 Cb -0.15 -2.53 -0.01 0.00 0.35 0.00 0.00 41.96 39.62 3kak s TYR 293 CO -0.02 -0.78 1.12 -0.06 -1.34 0.00 0.00 175.55 174.46 3kak s PHE 294 N 1.38 3.22 -0.15 4.97 0.08 -0.79 -1.63 117.98 125.06 3kak s PHE 294 Ca 0.00 1.33 0.15 0.00 0.12 0.00 0.00 56.93 58.53 3kak s PHE 294 Cb -0.21 -3.34 0.34 0.00 -0.57 0.00 0.00 43.02 39.25 3kak s PHE 294 CO 0.02 -0.89 1.17 0.54 -0.10 0.00 0.00 175.22 175.96 3kak n ARG 295 N 5.90 1.23 -3.89 0.44 1.74 0.62 -3.42 116.66 119.28 3kak n ARG 295 Ca 0.12 -2.77 -0.09 0.00 -0.77 0.00 0.00 57.85 54.34 3kak n ARG 295 Cb 0.46 -1.36 -0.01 0.00 -1.02 0.00 0.00 32.46 30.53 3kak n ARG 295 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kak s ALA 296 N -2.60 -0.62 0.00 7.54 0.00 -0.96 -4.35 121.76 120.76 3kak s ALA 296 Ca 0.33 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.56 3kak s ALA 296 Cb 0.31 0.86 0.00 0.00 0.00 0.00 0.00 23.12 24.29 3kak s ALA 296 CO -0.04 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.17 3kak n GLY 297 N -0.49 0.96 0.01 0.00 0.00 -1.26 -4.87 105.19 99.55 3kak n GLY 297 Ca -0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.00 0.12 -4.81 1.61 0.18 -1.26 -4.87 117.16 106.13 3kak n TYR 298 Ca 0.00 0.04 -0.31 0.00 1.88 0.00 0.00 57.90 59.50 3kak n TYR 298 Cb 0.00 -0.40 -0.13 0.00 -0.38 0.00 0.00 39.34 38.43 3kak n TYR 298 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 3kak s THR 299 N -3.03 2.78 0.38 -3.48 -1.32 -1.26 -4.98 115.64 104.73 3kak s THR 299 Ca 0.11 -1.04 0.36 0.00 -1.21 0.00 0.00 61.69 59.91 3kak s THR 299 Cb 0.17 -2.12 0.36 0.00 -1.51 0.00 0.00 72.50 69.40 3kak s THR 299 CO 0.66 0.44 2.10 1.55 -2.21 0.00 0.00 174.62 177.16 3kak h PRO 300 N 4.90 0.00 0.00 7.08 0.13 -1.98 -2.41 132.00 139.71 3kak h PRO 300 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3kak h PRO 300 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3kak h PRO 300 CO 0.48 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.88 3kak n LYS 301 N -2.78 0.65 0.03 0.86 5.02 -1.26 -2.74 118.16 117.94 3kak n LYS 301 Ca -0.02 0.02 0.12 0.00 -2.02 0.00 0.00 58.31 56.40 3kak n LYS 301 Cb 0.08 -1.50 0.27 0.00 -0.02 0.00 0.00 35.03 33.86 3kak n LYS 301 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3kak n ASP 302 N -1.13 0.53 -3.14 4.39 8.00 -0.91 -4.37 116.55 119.93 3kak n ASP 302 Ca 0.17 0.03 -0.29 0.00 0.71 0.00 0.00 54.79 55.42 3kak n ASP 302 Cb 0.15 0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 41.28 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 -1.78 3.82 0.23 1.24 4.01 -1.11 -4.85 117.16 118.72 3kak n TYR 303 Ca 0.05 -3.88 0.18 0.00 -0.16 0.00 0.00 57.90 54.08 3kak n TYR 303 Cb 0.38 -0.58 0.81 0.00 -0.31 0.00 0.00 39.34 39.63 3kak n TYR 303 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3kak h PRO 304 N 3.42 0.00 -3.40 -0.72 0.13 -1.79 -3.45 132.00 126.20 3kak h PRO 304 Ca 0.18 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.20 3kak h PRO 304 Cb 0.53 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.63 3kak h PRO 304 CO 0.87 0.00 0.11 0.45 -0.23 0.00 0.00 178.00 179.20 3kak s SER 305 N -4.92 0.34 0.58 1.44 0.15 -1.26 -5.04 113.70 104.99 3kak s SER 305 Ca -0.04 -1.28 0.33 0.00 0.70 0.00 0.00 55.95 55.66 3kak s SER 305 Cb 0.12 0.79 1.80 0.00 -1.71 0.00 0.00 66.02 67.02 3kak s SER 305 CO 0.41 -1.56 2.20 -0.33 1.20 0.00 0.00 173.24 175.15 3kak h GLU 306 N 2.03 0.00 -0.79 5.44 4.39 -2.01 -2.81 114.58 120.83 3kak h GLU 306 Ca -0.31 0.00 0.15 0.00 0.34 0.00 0.00 59.36 59.54 3kak h GLU 306 Cb 1.25 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.84 3kak h GLU 306 CO 0.40 0.04 0.52 0.77 -1.16 0.00 0.00 179.01 179.59 3kak h SER 307 N 0.00 0.43 0.64 1.42 0.02 -1.96 -1.67 113.55 112.42 3kak h SER 307 Ca -0.00 0.03 -0.26 0.00 -0.84 0.00 0.00 61.79 60.71 3kak h SER 307 Cb 0.16 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.60 3kak h SER 307 CO 0.01 0.22 -1.51 -0.33 -1.14 0.00 0.00 176.83 174.07 3kak h GLU 308 N 0.45 0.00 -0.06 3.45 3.07 -1.76 -2.76 114.58 116.98 3kak h GLU 308 Ca 0.39 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 59.09 3kak h GLU 308 Cb 0.86 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.75 3kak h GLU 308 CO -0.14 0.59 -0.66 -1.49 -1.40 0.00 0.00 179.01 175.92 3kak h TRP 309 N 0.00 0.31 -0.76 4.33 4.06 -1.60 -1.72 115.95 120.56 3kak h TRP 309 Ca -0.21 -0.13 0.04 0.00 2.06 0.00 0.00 58.89 60.65 3kak h TRP 309 Cb 1.92 -0.05 -0.04 0.00 -1.00 0.00 0.00 29.16 29.99 3kak h TRP 309 CO 0.00 0.82 0.50 -0.09 -3.56 0.00 0.00 178.44 176.12 3kak h ARG 310 N 0.17 0.89 0.06 0.49 2.43 -1.23 -1.53 114.38 115.66 3kak h ARG 310 Ca -0.01 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.01 3kak h ARG 310 Cb 1.19 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 30.55 3kak h ARG 310 CO 0.10 0.59 -0.40 0.00 -1.51 0.00 0.00 179.97 178.75 3kak h ALA 311 N 1.56 -0.02 -0.56 2.80 0.00 -1.28 0.41 119.26 122.16 3kak h ALA 311 Ca 0.31 -0.62 0.08 0.00 0.00 0.00 0.00 54.91 54.68 3kak h ALA 311 Cb 0.08 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 3kak h ALA 311 CO -0.09 0.20 0.21 -0.09 0.00 0.00 0.00 179.25 179.47 3kak h ARG 312 N -0.73 0.38 0.64 0.00 9.65 -1.21 -1.02 114.38 122.09 3kak h ARG 312 Ca -0.08 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.75 3kak h ARG 312 Cb 1.29 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 29.78 3kak h ARG 312 CO 0.05 0.25 -0.39 1.25 2.80 0.00 0.00 179.97 183.93 3kak h LEU 313 N 0.39 -0.99 -0.37 3.80 6.46 -1.10 -1.23 115.31 122.27 3kak h LEU 313 Ca 0.27 0.06 0.05 0.00 -0.12 0.00 0.00 57.88 58.13 3kak h LEU 313 Cb 0.31 0.29 -0.08 0.00 -0.73 0.00 0.00 40.66 40.45 3kak h LEU 313 CO -0.27 -0.61 -0.53 0.25 -0.62 0.00 0.00 178.44 176.66 3kak h LEU 314 N -0.98 -1.75 -0.57 2.25 5.85 0.08 -1.83 115.31 118.36 3kak h LEU 314 Ca -0.08 0.23 0.12 0.00 0.84 0.00 0.00 57.88 58.98 3kak h LEU 314 Cb 0.79 0.72 -0.10 0.00 0.37 0.00 0.00 40.66 42.43 3kak h LEU 314 CO 0.08 -0.39 -0.08 0.24 -0.34 0.00 0.00 178.44 177.96 3kak h MET 315 N -0.39 0.05 -0.63 1.25 2.86 -1.23 -2.88 114.93 113.95 3kak h MET 315 Ca 0.07 -0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.77 3kak h MET 315 Cb 0.57 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.16 3kak h MET 315 CO -0.55 0.03 0.33 1.49 1.06 0.00 0.00 176.91 179.27 3kak h GLU 316 N 0.05 0.58 0.00 1.72 4.57 -0.45 -2.78 114.58 118.27 3kak h GLU 316 Ca 0.28 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 3kak h GLU 316 Cb 0.44 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 3kak h GLU 316 CO -0.54 0.39 0.00 1.96 -1.18 0.00 0.00 179.01 179.64 3kak h GLN 317 N 0.60 0.00 -6.96 1.92 4.20 -1.14 -3.45 115.11 110.28 3kak h GLN 317 Ca 0.29 0.00 -0.48 0.00 0.06 0.00 0.00 58.65 58.52 3kak h GLN 317 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3kak h GLN 317 CO -0.21 0.00 0.22 -1.12 -0.67 0.00 0.00 178.83 177.05 3kak s SER 318 N -5.01 6.64 0.00 1.46 0.01 -1.05 -4.92 113.70 110.83 3kak s SER 318 Ca -0.04 1.35 0.00 0.00 1.31 0.00 0.00 55.95 58.57 3kak s SER 318 Cb 0.12 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.93 3kak s SER 318 CO 0.39 -0.42 0.61 -1.54 0.41 0.00 0.00 173.24 172.68 3kak n SER 319 N -1.17 0.74 -4.76 2.44 3.41 -0.50 -4.70 113.62 109.08 3kak n SER 319 Ca 0.04 -1.96 -0.41 0.00 -0.26 0.00 0.00 58.87 56.29 3kak n SER 319 Cb 0.54 -0.37 -0.02 0.00 -0.26 0.00 0.00 64.21 64.09 3kak n SER 319 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kak s ALA 320 N -1.24 3.51 -0.14 7.33 0.00 -1.26 -4.98 121.76 124.97 3kak s ALA 320 Ca 0.00 1.22 -0.29 0.00 0.00 0.00 0.00 51.96 52.89 3kak s ALA 320 Cb 0.00 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 3kak s ALA 320 CO 0.00 -0.60 1.26 0.42 0.00 0.00 0.00 175.76 176.84 3kak s ILE 321 N -0.90 4.25 -0.08 0.00 1.01 0.12 -4.91 121.20 120.70 3kak s ILE 321 Ca 0.50 1.53 -0.19 0.00 0.00 0.00 0.00 60.65 62.50 3kak s ILE 321 Cb -0.39 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.05 3kak s ILE 321 CO 0.49 -0.10 0.51 -0.54 0.00 0.00 0.00 174.94 175.30 3kak s LYS 322 N 3.19 4.30 -0.89 2.79 3.01 -1.26 -0.89 119.74 129.99 3kak s LYS 322 Ca 0.55 0.54 -0.05 0.00 -1.01 0.00 0.00 55.97 56.01 3kak s LYS 322 Cb -0.23 -3.39 0.22 0.00 -1.01 0.00 0.00 37.83 33.42 3kak s LYS 322 CO 0.17 0.25 0.79 0.00 0.51 0.00 0.00 175.35 177.07 3kak n PRO 324 N 2.76 1.22 -1.46 0.00 -0.04 -1.26 -1.89 135.00 134.34 3kak n PRO 324 Ca 0.19 -1.58 -0.30 0.00 -0.04 0.00 0.00 63.50 61.77 3kak n PRO 324 Cb 0.39 0.25 0.11 0.00 -0.04 0.00 0.00 33.50 34.20 3kak n PRO 324 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3kak s THR 325 N -1.40 2.87 0.34 0.52 -4.23 -1.19 -4.82 115.64 107.73 3kak s THR 325 Ca 0.10 0.28 0.05 0.00 -1.18 0.00 0.00 61.69 60.94 3kak s THR 325 Cb -0.01 -2.96 0.30 0.00 1.34 0.00 0.00 72.50 71.17 3kak s THR 325 CO 0.06 -0.37 1.92 -0.29 -0.54 0.00 0.00 174.62 175.40 3kak h ILE 326 N -1.25 0.98 -0.41 2.99 6.09 -1.98 -1.71 117.51 122.22 3kak h ILE 326 Ca -0.48 -0.28 0.01 0.00 -1.37 0.00 0.00 64.86 62.74 3kak h ILE 326 Cb 1.28 0.10 -0.02 0.00 0.47 0.00 0.00 36.82 38.64 3kak h ILE 326 CO 0.58 0.15 0.27 0.28 -3.07 0.00 0.00 178.15 176.36 3kak h SER 327 N 0.81 0.45 -0.87 2.19 0.02 -1.92 -1.58 113.55 112.66 3kak h SER 327 Ca 0.37 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.35 3kak h SER 327 Cb 0.38 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.76 3kak h SER 327 CO -0.14 0.33 0.56 1.88 -1.14 0.00 0.00 176.83 178.31 3kak h TYR 328 N 0.54 1.04 -0.87 3.45 -1.99 -1.70 -1.33 116.97 116.11 3kak h TYR 328 Ca 0.15 0.03 0.02 0.00 2.00 0.00 0.00 58.73 60.93 3kak h TYR 328 Cb -0.05 -0.35 -0.05 0.00 2.00 0.00 0.00 36.73 38.29 3kak h TYR 328 CO -0.05 0.59 0.57 1.25 -0.00 0.00 0.00 178.16 180.53 3kak h HIS 329 N 1.08 1.08 -0.21 4.88 2.76 -0.71 -3.01 115.15 121.02 3kak h HIS 329 Ca 0.35 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.41 3kak h HIS 329 Cb 0.02 -0.36 -0.01 0.00 1.55 0.00 0.00 27.41 28.61 3kak h HIS 329 CO -0.02 0.66 -0.44 -0.07 -1.30 0.00 0.00 177.93 176.76 3kak h LEU 330 N 1.15 0.55 -1.80 0.26 3.38 -0.32 -2.82 115.31 115.71 3kak h LEU 330 Ca 0.33 -0.26 0.11 0.00 0.09 0.00 0.00 57.88 58.15 3kak h LEU 330 Cb -0.08 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3kak h LEU 330 CO -0.09 0.92 0.35 0.58 0.09 0.00 0.00 178.44 180.30 3kak h VAL 331 N 0.42 0.85 -0.01 1.22 2.07 -1.20 -1.53 116.25 118.07 3kak h VAL 331 Ca 0.03 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3kak h VAL 331 Cb 0.94 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3kak h VAL 331 CO 0.08 0.04 0.00 0.61 0.02 0.00 0.00 177.57 178.32 3kak n GLY 332 N -1.56 -0.59 3.83 2.17 0.00 -1.06 -4.19 105.19 103.78 3kak n GLY 332 Ca 0.09 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 3kak n GLY 332 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kak s THR 333 N -1.99 4.20 0.20 2.61 -4.23 -0.58 -4.83 115.64 111.03 3kak s THR 333 Ca 0.42 0.95 -0.15 0.00 -1.18 0.00 0.00 61.69 61.73 3kak s THR 333 Cb 0.21 -3.56 0.20 0.00 1.34 0.00 0.00 72.50 70.68 3kak s THR 333 CO 0.34 -0.71 1.64 0.50 -0.54 0.00 0.00 174.62 175.85 3kak h LYS 334 N 0.30 -0.01 -0.76 3.99 3.64 -1.91 -2.16 116.57 119.67 3kak h LYS 334 Ca -0.46 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 58.95 3kak h LYS 334 Cb 1.20 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.98 3kak h LYS 334 CO 0.59 -0.00 0.48 -0.22 -2.27 0.00 0.00 179.45 178.03 3kak h LYS 335 N -0.01 0.92 -0.43 1.90 1.63 -1.92 -1.75 116.57 116.91 3kak h LYS 335 Ca 0.27 -0.06 -0.14 0.00 -0.85 0.00 0.00 60.65 59.88 3kak h LYS 335 Cb 0.42 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.83 3kak h LYS 335 CO -0.59 0.61 -0.29 0.82 -3.45 0.00 0.00 179.45 176.55 3kak h ILE 336 N 0.95 1.27 -0.23 2.00 1.08 -1.69 -2.10 117.51 118.79 3kak h ILE 336 Ca 0.30 -1.46 -0.11 0.00 -0.39 0.00 0.00 64.86 63.21 3kak h ILE 336 Cb 0.00 1.25 -0.01 0.00 -3.07 0.00 0.00 36.82 34.98 3kak h ILE 336 CO -0.11 0.49 -0.30 1.56 -0.69 0.00 0.00 178.15 179.10 3kak h GLN 337 N 0.79 0.47 -0.23 2.37 1.08 -0.77 0.84 115.11 119.65 3kak h GLN 337 Ca 0.09 -0.20 -0.05 0.00 -1.45 0.00 0.00 58.65 57.04 3kak h GLN 337 Cb 0.87 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.27 3kak h GLN 337 CO 0.08 0.73 -0.04 1.96 -0.95 0.00 0.00 178.83 180.61 3kak h GLN 338 N 0.41 0.44 -0.20 1.46 4.20 -1.28 -2.66 115.11 117.47 3kak h GLN 338 Ca 0.05 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.61 3kak h GLN 338 Cb 0.74 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 3kak h GLN 338 CO 0.06 0.65 0.12 1.49 -0.67 0.00 0.00 178.83 180.48 3kak h GLU 339 N 0.18 0.24 -0.63 1.46 4.57 -1.00 -2.06 114.58 117.35 3kak h GLU 339 Ca 0.06 -0.01 0.18 0.00 -1.18 0.00 0.00 59.36 58.41 3kak h GLU 339 Cb 0.48 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.99 3kak h GLU 339 CO 0.02 0.16 0.45 -0.07 -1.18 0.00 0.00 179.01 178.39 3kak h LEU 340 N 0.24 0.00 0.00 1.64 3.38 -0.77 -2.31 115.31 117.50 3kak h LEU 340 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3kak h LEU 340 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kak h LEU 340 CO -0.04 0.00 -0.68 0.00 0.09 0.00 0.00 178.44 177.81 3kak n ALA 341 N -2.65 3.09 -1.08 1.53 0.00 -0.80 -2.82 120.51 117.78 3kak n ALA 341 Ca 0.12 -0.29 -0.33 0.00 0.00 0.00 0.00 53.44 52.94 3kak n ALA 341 Cb 0.70 -1.13 0.13 0.00 0.00 0.00 0.00 19.45 19.15 3kak n ALA 341 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kak n LYS 342 N -1.99 0.14 -1.68 0.00 5.02 -0.87 -4.27 118.16 114.51 3kak n LYS 342 Ca 0.03 0.12 -0.47 0.00 -2.02 0.00 0.00 58.31 55.98 3kak n LYS 342 Cb 0.42 -2.41 -0.04 0.00 -0.02 0.00 0.00 35.03 32.98 3kak n LYS 342 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3kak n PRO 343 N -3.25 2.22 -0.15 1.97 -0.02 -1.26 -2.95 135.00 131.56 3kak n PRO 343 Ca 0.13 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 3kak n PRO 343 Cb 0.51 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 3kak n PRO 343 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kak n GLY 344 N 3.90 2.48 0.07 -1.23 0.00 -1.26 -4.92 105.19 104.23 3kak n GLY 344 Ca 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.15 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 0.79 -0.92 1.61 2.07 -1.79 -3.31 116.25 114.70 3kak h VAL 345 Ca 0.00 -1.55 0.18 0.00 0.82 0.00 0.00 66.70 66.15 3kak h VAL 345 Cb 0.00 1.48 -0.17 0.00 -1.52 0.00 0.00 31.29 31.08 3kak h VAL 345 CO 0.00 0.26 -0.26 -0.11 0.02 0.00 0.00 177.57 177.49 3kak n LEU 346 N -4.73 -0.38 0.10 2.57 -0.00 -1.13 -1.26 117.00 112.17 3kak n LEU 346 Ca -0.05 1.59 0.09 0.00 -0.00 0.00 0.00 56.01 57.64 3kak n LEU 346 Cb 0.22 -0.46 0.42 0.00 -0.00 0.00 0.00 43.42 43.60 3kak n LEU 346 CO 0.16 -1.51 0.77 -0.62 -0.00 0.00 0.00 177.39 176.18 3kak n GLU 347 N -5.48 0.11 0.27 1.96 4.71 -1.24 -1.22 120.64 119.75 3kak n GLU 347 Ca 0.14 0.50 0.17 0.00 -0.01 0.00 0.00 57.16 57.96 3kak n GLU 347 Cb 0.44 -1.79 0.69 0.00 -1.01 0.00 0.00 31.44 29.77 3kak n GLU 347 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3kak h ARG 348 N 0.00 0.00 -0.06 3.49 3.08 -1.28 -3.33 114.38 116.28 3kak h ARG 348 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kak h ARG 348 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3kak h ARG 348 CO 0.00 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.09 3kak n PHE 349 N -3.02 0.08 -3.72 3.04 3.01 -0.36 -4.94 117.46 111.56 3kak n PHE 349 Ca 0.01 -0.41 -0.20 0.00 1.01 0.00 0.00 57.45 57.86 3kak n PHE 349 Cb 0.29 -0.04 -0.18 0.00 -0.01 0.00 0.00 39.48 39.55 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 -0.85 0.04 -0.14 -4.37 1.01 -1.22 -4.81 120.40 110.05 3kak s VAL 350 Ca 0.04 0.32 0.11 0.00 0.00 0.00 0.00 61.98 62.45 3kak s VAL 350 Cb 0.02 -0.25 -0.23 0.00 0.00 0.00 0.00 36.38 35.92 3kak s VAL 350 CO 0.03 0.20 0.27 -1.84 0.00 0.00 0.00 175.10 173.76 3kak n GLU 351 N 5.15 0.67 -1.94 2.72 0.28 -1.26 -4.80 120.64 121.47 3kak n GLU 351 Ca -0.06 0.15 -0.42 0.00 -0.16 0.00 0.00 57.16 56.67 3kak n GLU 351 Cb 0.50 -1.64 -0.03 0.00 1.43 0.00 0.00 31.44 31.70 3kak n GLU 351 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 3kak s ASN 352 N -6.05 6.56 0.26 -1.84 3.04 -1.26 -4.91 114.94 110.74 3kak s ASN 352 Ca -0.13 2.26 0.01 0.00 0.04 0.00 0.00 52.86 55.04 3kak s ASN 352 Cb 0.07 -2.53 0.34 0.00 -1.54 0.00 0.00 41.25 37.59 3kak s ASN 352 CO 0.79 -1.01 1.68 0.11 -3.04 0.00 0.00 177.10 175.63 3kak h LYS 353 N 10.01 0.51 -0.50 0.43 1.57 -1.99 0.71 116.57 127.32 3kak h LYS 353 Ca -0.41 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.14 3kak h LYS 353 Cb 1.19 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 3kak h LYS 353 CO 0.96 0.76 0.23 0.22 -0.57 0.00 0.00 179.45 181.05 3kak h ASP 354 N 0.45 0.63 0.04 0.86 3.58 -2.00 -1.74 116.42 118.24 3kak h ASP 354 Ca 0.06 -0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 3kak h ASP 354 Cb 0.74 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.63 3kak h ASP 354 CO 0.06 0.55 -0.02 0.45 -2.88 0.00 0.00 179.24 177.40 3kak h HIS 355 N 0.70 -0.05 -0.79 0.28 3.86 -1.84 -0.87 115.15 116.44 3kak h HIS 355 Ca 0.18 -0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.51 3kak h HIS 355 Cb 0.09 0.02 -0.13 0.00 1.06 0.00 0.00 27.41 28.45 3kak h HIS 355 CO 0.01 0.60 -0.31 -0.89 0.86 0.00 0.00 177.93 178.20 3kak n ILE 356 N -4.77 -0.42 -0.12 2.45 5.41 0.20 -0.46 119.36 121.65 3kak n ILE 356 Ca -0.08 1.86 -0.08 0.00 1.00 0.00 0.00 62.75 65.44 3kak n ILE 356 Cb 0.33 -2.46 -0.00 0.00 -0.71 0.00 0.00 39.64 36.80 3kak n ILE 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kak h ALA 357 N 1.09 0.48 -0.57 -1.39 0.00 -1.14 -2.09 119.26 115.64 3kak h ALA 357 Ca 0.28 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3kak h ALA 357 Cb 0.47 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3kak h ALA 357 CO -0.79 -0.04 0.26 0.87 0.00 0.00 0.00 179.25 179.55 3kak h LYS 358 N 0.50 0.84 0.21 0.00 1.57 0.39 -2.46 116.57 117.61 3kak h LYS 358 Ca 0.14 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3kak h LYS 358 Cb -0.02 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.15 3kak h LYS 358 CO -0.03 0.70 -0.10 -0.07 -0.57 0.00 0.00 179.45 179.38 3kak h LEU 359 N 0.78 -0.24 -2.37 2.94 3.38 -0.54 -2.69 115.31 116.57 3kak h LEU 359 Ca 0.19 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3kak h LEU 359 Cb 0.15 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3kak h LEU 359 CO -0.02 0.06 -0.03 0.03 0.09 0.00 0.00 178.44 178.56 3kak h ARG 360 N -0.54 0.00 0.00 1.13 2.47 -1.38 -0.08 114.38 115.98 3kak h ARG 360 Ca -0.03 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.60 3kak h ARG 360 Cb 0.40 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.71 3kak h ARG 360 CO 0.05 0.03 -0.42 0.00 0.56 0.00 0.00 179.97 180.18 3kak h ALA 361 N 1.97 0.88 -0.02 0.04 0.00 -1.09 -3.09 119.26 117.95 3kak h ALA 361 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3kak h ALA 361 Cb 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3kak h ALA 361 CO 0.00 0.53 -0.15 0.00 0.00 0.00 0.00 179.25 179.63 3kak s PHE 363 N -2.16 3.28 0.25 0.00 0.40 -0.94 0.83 117.98 119.64 3kak s PHE 363 Ca 0.26 0.75 -0.31 0.00 -0.60 0.00 0.00 56.93 57.03 3kak s PHE 363 Cb 0.19 -2.79 -0.11 0.00 0.51 0.00 0.00 43.02 40.82 3kak s PHE 363 CO 0.39 -0.30 1.64 0.00 0.70 0.00 0.00 175.22 177.66 3kak s ALA 364 N 2.38 3.82 0.42 5.36 0.00 -1.26 -4.94 121.76 127.54 3kak s ALA 364 Ca 0.24 1.56 -0.26 0.00 0.00 0.00 0.00 51.96 53.50 3kak s ALA 364 Cb -0.16 -3.66 -0.09 0.00 0.00 0.00 0.00 23.12 19.21 3kak s ALA 364 CO 0.09 -0.94 1.46 0.20 0.00 0.00 0.00 175.76 176.56 3kak s GLY 365 N 0.80 2.93 -0.04 0.00 0.00 -1.26 -4.79 107.32 104.97 3kak s GLY 365 Ca 0.68 1.53 -0.09 0.00 0.00 0.00 0.00 44.72 46.84 3kak s GLY 365 CO 0.41 2.18 0.21 -2.27 0.00 0.00 0.00 173.10 173.62 3kak s LEU 366 N -2.46 1.24 0.18 0.66 0.20 -1.26 -0.58 118.68 116.65 3kak s LEU 366 Ca 0.58 0.14 -0.16 0.00 0.69 0.00 0.00 54.13 55.38 3kak s LEU 366 Cb -0.45 0.83 0.02 0.00 -0.43 0.00 0.00 46.19 46.16 3kak s LEU 366 CO 0.60 -0.25 0.47 0.26 -0.29 0.00 0.00 176.35 177.14 3kak s TRP 367 N -0.70 -0.06 0.00 5.38 0.51 0.73 -4.11 118.94 120.69 3kak s TRP 367 Ca -0.08 -0.28 0.00 0.00 -2.12 0.00 0.00 56.10 53.62 3kak s TRP 367 Cb -0.04 0.31 0.00 0.00 -0.81 0.00 0.00 33.47 32.93 3kak s TRP 367 CO 0.02 -0.86 0.00 0.45 -0.51 0.00 0.00 176.95 176.04 3kak n SER 368 N -0.31 0.00 -3.00 2.95 2.88 -1.26 -0.54 113.62 114.34 3kak n SER 368 Ca -0.10 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.06 3kak n SER 368 Cb 0.63 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.11 3kak n SER 368 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kak n LEU 369 N 0.00 7.03 -4.59 2.46 -0.00 -1.26 -4.67 117.00 115.96 3kak n LEU 369 Ca 0.00 -5.02 -0.43 0.00 -0.00 0.00 0.00 56.01 50.56 3kak n LEU 369 Cb 0.00 -0.99 -0.02 0.00 -0.00 0.00 0.00 43.42 42.41 3kak n LEU 369 CO 0.00 1.90 1.28 -1.61 -0.00 0.00 0.00 177.39 178.96 3kak s GLU 370 N -4.04 3.48 0.30 1.47 2.02 -1.26 -4.94 118.70 115.73 3kak s GLU 370 Ca 0.49 0.88 0.05 0.00 0.02 0.00 0.00 54.97 56.41 3kak s GLU 370 Cb 0.38 -4.07 0.75 0.00 0.10 0.00 0.00 34.13 31.29 3kak s GLU 370 CO -0.33 -1.69 1.72 0.22 0.02 0.00 0.00 175.26 175.20 3kak h ASP 371 N 11.09 0.48 -0.64 -0.19 1.82 -1.96 -2.15 116.42 124.87 3kak h ASP 371 Ca -0.28 0.14 -0.08 0.00 -0.39 0.00 0.00 57.03 56.42 3kak h ASP 371 Cb 1.11 0.08 -0.03 0.00 0.68 0.00 0.00 39.33 41.17 3kak h ASP 371 CO 1.10 0.07 0.09 -1.28 -1.61 0.00 0.00 179.24 177.61 3kak h SER 372 N 0.50 1.03 0.78 2.28 0.87 -1.94 0.69 113.55 117.77 3kak h SER 372 Ca 0.57 -0.25 -0.15 0.00 -1.23 0.00 0.00 61.79 60.73 3kak h SER 372 Cb 1.04 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.70 3kak h SER 372 CO -0.48 1.03 -1.31 0.44 -0.53 0.00 0.00 176.83 175.97 3kak h ASP 373 N 1.00 0.00 0.00 6.23 5.19 -1.94 -2.91 116.42 123.99 3kak h ASP 373 Ca 0.20 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 3kak h ASP 373 Cb 0.45 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.96 3kak h ASP 373 CO 0.01 0.52 0.00 2.30 -3.12 0.00 0.00 179.24 178.95 3kak n ILE 374 N -2.89 0.00 0.00 0.35 -6.64 -0.82 -0.97 119.36 108.39 3kak n ILE 374 Ca -0.08 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.90 3kak n ILE 374 Cb 0.81 0.92 0.00 0.00 -1.44 0.00 0.00 39.64 39.92 3kak n ILE 374 CO 0.00 0.00 0.00 0.52 -1.77 0.00 0.00 176.55 175.30 3kak n VAL 375 N 0.00 0.00 0.14 7.28 0.31 0.24 -4.65 118.33 121.64 3kak n VAL 375 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.35 3kak n VAL 375 Cb 0.49 -0.04 0.05 0.00 -0.91 0.00 0.00 33.84 33.43 3kak n VAL 375 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3kak h LYS 376 N 0.00 0.00 -1.05 5.55 3.11 -1.64 -2.91 116.57 119.63 3kak h LYS 376 Ca 0.00 0.00 0.27 0.00 -2.81 0.00 0.00 60.65 58.11 3kak h LYS 376 Cb 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 32.23 31.14 3kak h LYS 376 CO 0.00 0.55 0.68 0.87 -2.81 0.00 0.00 179.45 178.74 3kak h LYS 377 N 0.00 0.36 0.09 1.90 1.57 -1.26 -2.19 116.57 117.03 3kak h LYS 377 Ca -0.01 -0.02 -0.35 0.00 -1.87 0.00 0.00 60.65 58.41 3kak h LYS 377 Cb 1.37 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.57 3kak h LYS 377 CO 0.07 0.24 -1.94 0.00 -0.57 0.00 0.00 179.45 177.25 3kak n ALA 378 N -2.49 1.05 -0.18 3.86 0.00 -0.14 -3.43 120.51 119.19 3kak n ALA 378 Ca 0.26 -0.65 -0.03 0.00 0.00 0.00 0.00 53.44 53.01 3kak n ALA 378 Cb 0.91 -0.71 0.03 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 0.05 0.34 -3.35 0.00 2.04 -1.52 -1.24 117.51 113.83 3kak h ILE 379 Ca -0.39 0.00 -0.56 0.00 1.00 0.00 0.00 64.86 64.90 3kak h ILE 379 Cb 2.03 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 38.40 3kak h ILE 379 CO 0.08 0.00 0.04 -0.70 0.00 0.00 0.00 178.15 177.58 3kak s GLU 380 N -6.15 4.39 -0.76 2.37 -6.30 -0.83 -4.11 118.70 107.32 3kak s GLU 380 Ca -0.14 0.83 -0.00 0.00 -2.50 0.00 0.00 54.97 53.15 3kak s GLU 380 Cb 0.17 -3.38 -0.00 0.00 0.00 0.00 0.00 34.13 30.91 3kak s GLU 380 CO 0.71 0.24 0.63 0.09 0.02 0.00 0.00 175.26 176.96 3kak n ASN 381 N 3.12 -2.06 0.09 -1.70 3.02 -1.26 -4.74 115.26 111.73 3kak n ASN 381 Ca -0.04 -0.39 0.10 0.00 -0.03 0.00 0.00 54.58 54.21 3kak n ASN 381 Cb 0.51 -3.43 0.43 0.00 -0.61 0.00 0.00 39.78 36.68 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 -2.97 0.13 0.00 3.52 -0.04 -0.47 -3.74 135.00 131.42 3kak n PRO 382 Ca -0.18 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 3kak n PRO 382 Cb 0.61 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 3kak n PRO 382 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3kak n GLU 383 N -2.01 0.00 0.00 0.54 0.00 -1.26 -3.30 120.64 114.61 3kak n GLU 383 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.18 3kak n GLU 383 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.61 3kak n GLU 383 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 3kak n LEU 384 N -3.33 2.45 -2.86 4.31 7.94 -1.25 -4.90 117.00 119.37 3kak n LEU 384 Ca 0.00 0.05 -0.27 0.00 -1.11 0.00 0.00 56.01 54.68 3kak n LEU 384 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3kak n LEU 384 CO 0.00 0.00 -0.33 0.49 -1.11 0.00 0.00 177.39 176.44 3kak n PHE 385 N -0.46 -1.54 -4.56 1.96 3.01 -1.21 -3.41 117.46 111.25 3kak n PHE 385 Ca 0.00 0.39 -0.22 0.00 1.01 0.00 0.00 57.45 58.62 3kak n PHE 385 Cb 0.00 -1.17 -0.16 0.00 -0.01 0.00 0.00 39.48 38.14 3kak n PHE 385 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3kak s VAL 386 N -1.18 1.03 -0.15 -4.37 1.01 -0.86 -4.41 120.40 111.47 3kak s VAL 386 Ca 0.39 -0.50 -0.17 0.00 0.00 0.00 0.00 61.98 61.70 3kak s VAL 386 Cb -0.40 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 3kak s VAL 386 CO 0.42 0.31 0.45 -0.04 0.00 0.00 0.00 175.10 176.24 3kak s MET 387 N 0.09 4.27 0.14 2.72 -1.94 -0.16 -1.75 119.30 122.68 3kak s MET 387 Ca -0.03 0.35 0.10 0.00 -1.71 0.00 0.00 55.69 54.41 3kak s MET 387 Cb -0.09 -3.48 -0.04 0.00 2.01 0.00 0.00 34.83 33.23 3kak s MET 387 CO 0.01 0.08 -0.23 0.15 -0.01 0.00 0.00 175.02 175.02 3kak s LYS 388 N 0.92 1.30 0.21 2.03 1.02 -0.61 -0.41 119.74 124.20 3kak s LYS 388 Ca 0.23 -1.33 -0.32 0.00 0.02 0.00 0.00 55.97 54.57 3kak s LYS 388 Cb -0.15 -1.60 -0.15 0.00 -0.52 0.00 0.00 37.83 35.41 3kak s LYS 388 CO 0.09 0.36 1.22 -2.30 -0.92 0.00 0.00 175.35 173.80 3kak n PRO 389 N 0.72 1.47 0.00 -1.68 -0.02 -1.26 -0.23 135.00 134.00 3kak n PRO 389 Ca -0.16 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 3kak n PRO 389 Cb 0.55 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 3kak n PRO 389 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3kak n GLN 390 N 1.71 0.48 -1.11 -0.52 6.02 -1.26 -4.78 117.38 117.92 3kak n GLN 390 Ca 0.13 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.76 3kak n GLN 390 Cb 0.28 -1.10 0.04 0.00 1.02 0.00 0.00 30.24 30.48 3kak n GLN 390 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3kak n ASN 396 N -0.18 -3.98 -4.77 1.08 3.02 -1.15 -4.94 115.26 104.34 3kak n ASN 396 Ca 0.00 0.42 -0.35 0.00 -0.03 0.00 0.00 54.58 54.62 3kak n ASN 396 Cb 0.05 -0.92 0.01 0.00 -0.61 0.00 0.00 39.78 38.31 3kak n ASN 396 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3kak s ASN 397 N -1.19 5.62 -0.10 6.41 0.01 -1.26 -4.47 114.94 119.96 3kak s ASN 397 Ca 0.52 2.23 0.03 0.00 -0.71 0.00 0.00 52.86 54.94 3kak s ASN 397 Cb -0.31 -2.59 -0.00 0.00 0.41 0.00 0.00 41.25 38.76 3kak s ASN 397 CO 0.71 -1.29 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.17 3kak s ILE 398 N -1.72 2.27 0.27 0.60 1.01 0.45 -4.95 121.20 119.13 3kak s ILE 398 Ca 0.73 -0.95 0.10 0.00 0.00 0.00 0.00 60.65 60.53 3kak s ILE 398 Cb -0.26 -1.88 -0.05 0.00 0.01 0.00 0.00 42.46 40.28 3kak s ILE 398 CO 0.29 0.55 -0.15 -0.31 0.00 0.00 0.00 174.94 175.32 3kak s TYR 399 N 0.28 2.09 0.00 3.97 1.51 -1.26 -0.99 117.35 122.96 3kak s TYR 399 Ca -0.16 -0.47 0.00 0.00 -1.01 0.00 0.00 57.07 55.44 3kak s TYR 399 Cb -0.17 -1.00 0.00 0.00 -0.11 0.00 0.00 41.96 40.68 3kak s TYR 399 CO 0.08 0.55 0.00 0.41 -1.11 0.00 0.00 175.55 175.47 3kak n GLY 400 N -0.57 4.07 0.19 0.71 0.00 -1.22 -1.97 105.19 106.40 3kak n GLY 400 Ca -0.06 0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 3kak n GLY 400 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kak h ASP 401 N 0.00 0.68 0.20 1.61 3.32 -1.99 -2.57 116.42 117.68 3kak h ASP 401 Ca 0.00 -0.46 -0.02 0.00 0.02 0.00 0.00 57.03 56.57 3kak h ASP 401 Cb 0.00 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 3kak h ASP 401 CO 0.00 1.22 -0.11 -0.33 -1.72 0.00 0.00 179.24 178.30 3kak h GLU 402 N 0.39 0.00 0.00 3.56 3.07 -1.86 -2.90 114.58 116.84 3kak h GLU 402 Ca -0.04 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.81 3kak h GLU 402 Cb 1.37 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.28 3kak h GLU 402 CO 0.14 0.11 -0.03 1.25 -1.40 0.00 0.00 179.01 179.08 3kak h LEU 403 N 0.00 0.00 -0.07 1.33 6.46 -0.96 0.46 115.31 122.53 3kak h LEU 403 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3kak h LEU 403 Cb 0.24 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.17 3kak h LEU 403 CO 0.01 0.03 0.00 -1.14 -0.62 0.00 0.00 178.44 176.72 3kak n ARG 404 N -4.20 0.00 -0.22 1.25 0.00 -1.10 0.29 116.66 112.68 3kak n ARG 404 Ca -0.03 0.00 0.17 0.00 -0.00 0.00 0.00 57.85 57.99 3kak n ARG 404 Cb 0.12 -0.41 0.49 0.00 0.00 0.00 0.00 32.46 32.65 3kak n ARG 404 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 3kak h GLU 405 N 0.00 0.44 -0.27 -0.14 3.07 -0.33 -3.11 114.58 114.24 3kak h GLU 405 Ca 0.00 -0.03 -0.11 0.00 -0.50 0.00 0.00 59.36 58.72 3kak h GLU 405 Cb 0.00 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 3kak h GLU 405 CO 0.00 0.29 -0.30 1.15 -1.40 0.00 0.00 179.01 178.75 3kak h THR 406 N 0.45 1.28 0.00 1.13 2.02 -0.42 -2.44 112.91 114.94 3kak h THR 406 Ca 0.44 -1.40 0.00 0.00 0.77 0.00 0.00 66.41 66.22 3kak h THR 406 Cb 1.00 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 3kak h THR 406 CO -0.16 0.45 0.00 -0.07 0.37 0.00 0.00 175.52 176.10 3kak h LEU 407 N 0.48 0.00 0.00 2.58 3.38 -1.76 -2.53 115.31 117.46 3kak h LEU 407 Ca 0.06 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.68 3kak h LEU 407 Cb 0.77 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.46 3kak h LEU 407 CO 0.06 0.00 -2.20 0.18 0.09 0.00 0.00 178.44 176.57 3kak n LEU 408 N -2.88 0.41 0.00 1.67 4.77 -0.94 -5.16 117.00 114.87 3kak n LEU 408 Ca -0.02 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3kak n LEU 408 Cb 0.12 0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3kak n LEU 408 CO 0.20 0.49 0.00 0.29 -1.33 0.00 0.00 177.39 177.04 3kak n LYS 409 N -2.87 0.00 -3.87 3.23 4.76 -0.96 -5.15 118.16 113.31 3kak n LYS 409 Ca -0.29 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 54.83 3kak n LYS 409 Cb 1.12 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 34.27 3kak n LYS 409 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kak s ALA 419 N -4.00 3.96 -0.33 7.82 0.00 -1.26 -5.10 121.76 122.85 3kak s ALA 419 Ca 0.00 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.21 3kak s ALA 419 Cb 0.00 -1.90 0.19 0.00 0.00 0.00 0.00 23.12 21.41 3kak s ALA 419 CO 0.00 0.78 0.73 0.00 0.00 0.00 0.00 175.76 177.27 3kak s ALA 420 N -1.51 -2.90 0.16 0.00 0.00 -1.26 -2.94 121.76 113.31 3kak s ALA 420 Ca 0.35 0.92 0.04 0.00 0.00 0.00 0.00 51.96 53.27 3kak s ALA 420 Cb -0.13 -2.69 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 3kak s ALA 420 CO 0.26 -2.05 1.36 1.88 0.00 0.00 0.00 175.76 177.21 3kak h TYR 421 N 7.35 0.19 -1.77 0.00 0.99 -1.31 -3.41 116.97 119.02 3kak h TYR 421 Ca -0.01 -0.12 -0.60 0.00 2.00 0.00 0.00 58.73 60.00 3kak h TYR 421 Cb 1.19 -0.02 -0.11 0.00 1.00 0.00 0.00 36.73 38.79 3kak h TYR 421 CO 0.12 0.96 -0.59 0.96 -0.00 0.00 0.00 178.16 179.61 3kak s ILE 422 N -3.07 2.29 -0.12 -2.88 -5.25 0.68 -4.87 121.20 107.98 3kak s ILE 422 Ca -0.02 -1.95 -0.00 0.00 -0.99 0.00 0.00 60.65 57.69 3kak s ILE 422 Cb 0.10 -2.88 -0.02 0.00 2.95 0.00 0.00 42.46 42.61 3kak s ILE 422 CO 0.82 -0.09 -0.12 -0.22 -1.79 0.00 0.00 174.94 173.55 3kak s LEU 423 N -3.74 2.81 0.22 0.37 1.98 0.30 -1.57 118.68 119.05 3kak s LEU 423 Ca 0.36 -0.27 -0.02 0.00 -2.89 0.00 0.00 54.13 51.31 3kak s LEU 423 Cb 0.04 -1.63 -0.03 0.00 0.66 0.00 0.00 46.19 45.23 3kak s LEU 423 CO 0.19 0.20 0.19 0.00 -1.89 0.00 0.00 176.35 175.04 3kak s MET 424 N 0.16 1.30 0.13 1.98 0.23 -0.72 -0.19 119.30 122.19 3kak s MET 424 Ca -0.06 -1.61 -0.30 0.00 -1.03 0.00 0.00 55.69 52.69 3kak s MET 424 Cb -0.15 0.30 -0.06 0.00 -1.53 0.00 0.00 34.83 33.39 3kak s MET 424 CO 0.05 -0.45 1.06 -1.14 -2.03 0.00 0.00 175.02 172.51 3kak s GLN 425 N -4.07 4.60 0.19 3.16 0.74 0.25 -2.04 119.66 122.50 3kak s GLN 425 Ca 0.37 1.62 -0.30 0.00 0.05 0.00 0.00 55.36 57.10 3kak s GLN 425 Cb 0.05 -3.33 -0.08 0.00 1.10 0.00 0.00 33.01 30.76 3kak s GLN 425 CO 0.13 0.06 0.99 0.50 -0.55 0.00 0.00 175.29 176.42 3kak s ARG 426 N 0.05 4.73 -0.20 1.67 3.52 -1.22 -4.77 118.95 122.74 3kak s ARG 426 Ca 0.50 1.55 -0.08 0.00 -0.13 0.00 0.00 55.73 57.57 3kak s ARG 426 Cb -0.27 -3.30 -0.04 0.00 -1.56 0.00 0.00 34.95 29.78 3kak s ARG 426 CO 0.32 0.30 0.08 0.42 -0.81 0.00 0.00 175.30 175.61 3kak s ILE 427 N -0.61 4.84 -0.40 4.11 1.01 -1.26 -4.90 121.20 123.99 3kak s ILE 427 Ca 0.45 -0.01 -0.09 0.00 0.00 0.00 0.00 60.65 61.00 3kak s ILE 427 Cb -0.26 -3.20 0.06 0.00 0.01 0.00 0.00 42.46 39.07 3kak s ILE 427 CO 0.33 0.43 0.23 -0.36 0.00 0.00 0.00 174.94 175.56 3kak s PHE 428 N 0.62 3.31 0.48 3.97 0.40 -1.26 -5.03 117.98 120.48 3kak s PHE 428 Ca 0.04 -1.43 -0.19 0.00 -0.60 0.00 0.00 56.93 54.76 3kak s PHE 428 Cb -0.13 -2.78 -0.09 0.00 0.51 0.00 0.00 43.02 40.53 3kak s PHE 428 CO 0.01 -0.80 0.98 -2.14 0.70 0.00 0.00 175.22 173.97 3kak s PRO 429 N 1.44 4.03 -0.44 0.24 0.02 -1.26 0.29 135.00 139.32 3kak s PRO 429 Ca 0.02 1.05 -0.27 0.00 0.02 0.00 0.00 61.00 61.82 3kak s PRO 429 Cb -0.22 -2.15 -0.03 0.00 0.02 0.00 0.00 34.50 32.12 3kak s PRO 429 CO 0.03 -0.20 2.01 0.00 -0.33 0.00 0.00 177.00 178.51 3kak s ALA 430 N -2.40 2.34 0.23 -1.55 0.00 -1.25 -4.79 121.76 114.34 3kak s ALA 430 Ca 0.61 -0.03 -0.12 0.00 0.00 0.00 0.00 51.96 52.42 3kak s ALA 430 Cb -0.10 -4.19 -0.08 0.00 0.00 0.00 0.00 23.12 18.75 3kak s ALA 430 CO 0.23 -3.48 0.59 -0.08 0.00 0.00 0.00 175.76 173.03 3kak s THR 431 N 8.99 4.85 -0.04 0.00 -1.32 -1.26 -4.41 115.64 122.45 3kak s THR 431 Ca 0.82 0.69 -0.13 0.00 -1.21 0.00 0.00 61.69 61.86 3kak s THR 431 Cb -0.19 -3.65 0.02 0.00 -1.51 0.00 0.00 72.50 67.17 3kak s THR 431 CO 0.28 -0.00 0.30 -0.55 -2.21 0.00 0.00 174.62 172.43 3kak s SER 432 N -2.15 -0.22 0.20 8.08 0.15 -0.81 -4.92 113.70 114.03 3kak s SER 432 Ca 0.46 0.22 -0.30 0.00 0.70 0.00 0.00 55.95 57.03 3kak s SER 432 Cb -0.12 0.40 -0.08 0.00 -1.71 0.00 0.00 66.02 64.51 3kak s SER 432 CO 0.20 -0.35 1.25 -2.84 1.20 0.00 0.00 173.24 172.70 3kak s PRO 433 N -0.91 4.44 0.04 5.44 0.02 -1.26 -1.11 135.00 141.67 3kak s PRO 433 Ca -0.10 1.97 -0.00 0.00 0.02 0.00 0.00 61.00 62.89 3kak s PRO 433 Cb -0.05 -3.21 -0.03 0.00 0.02 0.00 0.00 34.50 31.23 3kak s PRO 433 CO 0.03 -0.16 -0.04 0.00 -0.33 0.00 0.00 177.00 176.51 3kak s ALA 434 N -0.06 0.41 -0.18 -1.55 0.00 0.47 -4.25 121.76 116.59 3kak s ALA 434 Ca 0.54 -0.97 -0.06 0.00 0.00 0.00 0.00 51.96 51.47 3kak s ALA 434 Cb -0.35 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 3kak s ALA 434 CO 0.38 -0.27 0.03 0.42 0.00 0.00 0.00 175.76 176.33 3kak s ILE 435 N -2.87 4.43 -0.13 0.00 -1.09 -1.26 -1.94 121.20 118.34 3kak s ILE 435 Ca -0.02 -0.16 0.02 0.00 -2.23 0.00 0.00 60.65 58.27 3kak s ILE 435 Cb 0.00 -2.99 0.01 0.00 -1.58 0.00 0.00 42.46 37.90 3kak s ILE 435 CO -0.06 0.46 -0.21 -0.76 -1.23 0.00 0.00 174.94 173.13 3kak s LEU 436 N 0.53 2.16 -0.17 2.97 1.43 -0.82 0.11 118.68 124.90 3kak s LEU 436 Ca 0.01 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.54 3kak s LEU 436 Cb -0.13 -1.45 0.01 0.00 0.03 0.00 0.00 46.19 44.64 3kak s LEU 436 CO 0.02 0.10 -0.18 -0.69 0.23 0.00 0.00 176.35 175.82 3kak s VAL 437 N 0.72 2.30 -0.12 -1.59 1.01 0.70 -1.84 120.40 121.59 3kak s VAL 437 Ca -0.09 -0.87 -0.06 0.00 0.00 0.00 0.00 61.98 60.96 3kak s VAL 437 Cb -0.16 -1.97 0.05 0.00 0.00 0.00 0.00 36.38 34.30 3kak s VAL 437 CO 0.00 0.53 0.27 -0.60 0.00 0.00 0.00 175.10 175.30 3kak s ARG 438 N 1.10 0.23 -1.47 2.72 3.52 0.36 -1.56 118.95 123.85 3kak s ARG 438 Ca 0.00 0.58 -0.07 0.00 -0.13 0.00 0.00 55.73 56.11 3kak s ARG 438 Cb -0.14 -0.10 0.01 0.00 -1.56 0.00 0.00 34.95 33.15 3kak s ARG 438 CO -0.07 -0.17 0.18 -3.47 -0.81 0.00 0.00 175.30 170.97 3kak n ASP 439 N 4.30 -0.24 0.00 -2.12 4.64 -1.26 -1.69 116.55 120.18 3kak n ASP 439 Ca -0.24 -1.26 0.00 0.00 -1.38 0.00 0.00 54.79 51.91 3kak n ASP 439 Cb 0.53 -1.77 0.00 0.00 -1.04 0.00 0.00 41.12 38.84 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 -2.42 0.80 3.16 0.27 0.00 -1.26 -5.01 105.19 100.72 3kak n GLY 440 Ca -0.28 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.69 2.03 0.41 1.61 0.01 -0.68 -5.07 114.94 110.56 3kak s ASN 441 Ca 0.00 -0.32 0.08 0.00 -0.71 0.00 0.00 52.86 51.91 3kak s ASN 441 Cb 0.00 -0.27 -0.03 0.00 0.41 0.00 0.00 41.25 41.35 3kak s ASN 441 CO 0.00 0.20 0.31 -1.66 -1.51 0.00 0.00 177.10 174.44 3kak s TRP 442 N -0.34 2.68 0.05 2.20 1.48 -1.26 -0.48 118.94 123.27 3kak s TRP 442 Ca 0.05 -0.52 -0.28 0.00 -1.06 0.00 0.00 56.10 54.29 3kak s TRP 442 Cb -0.07 -2.09 0.09 0.00 -1.16 0.00 0.00 33.47 30.24 3kak s TRP 442 CO -0.00 -0.01 0.96 0.34 -4.06 0.00 0.00 176.95 174.18 3kak s ASP 443 N -4.05 -0.25 0.17 -2.66 -1.08 -0.77 -4.99 116.67 103.05 3kak s ASP 443 Ca 0.46 -0.18 0.06 0.00 -0.52 0.00 0.00 52.55 52.36 3kak s ASP 443 Cb -0.01 0.40 -0.04 0.00 -1.46 0.00 0.00 42.92 41.82 3kak s ASP 443 CO 0.26 -0.70 0.07 0.42 0.52 0.00 0.00 175.17 175.74 3kak s THR 444 N -3.11 4.14 0.21 1.71 -4.23 -1.26 -1.94 115.64 111.16 3kak s THR 444 Ca 0.09 -1.23 -0.23 0.00 -1.18 0.00 0.00 61.69 59.14 3kak s THR 444 Cb -0.01 -3.10 0.04 0.00 1.34 0.00 0.00 72.50 70.78 3kak s THR 444 CO -0.04 -0.10 0.83 -0.83 -0.54 0.00 0.00 174.62 173.94 3kak s GLY 445 N -3.01 -0.19 -0.20 3.99 0.00 -0.82 -4.96 107.32 102.13 3kak s GLY 445 Ca 0.29 -0.04 -0.04 0.00 0.00 0.00 0.00 44.72 44.93 3kak s GLY 445 CO 0.21 -0.03 -0.03 0.30 0.00 0.00 0.00 173.10 173.55 3kak s HIS 446 N -3.60 2.98 0.19 1.90 3.76 -1.26 -0.40 115.29 118.85 3kak s HIS 446 Ca 0.11 -0.70 0.09 0.00 -0.15 0.00 0.00 55.06 54.41 3kak s HIS 446 Cb -0.04 -2.07 -0.04 0.00 1.11 0.00 0.00 32.58 31.54 3kak s HIS 446 CO 0.04 -0.38 -0.17 0.14 -0.85 0.00 0.00 174.74 173.51 3kak s VAL 447 N 1.16 1.88 0.11 -0.90 -7.23 -0.26 -2.03 120.40 113.12 3kak s VAL 447 Ca 0.02 -2.08 0.08 0.00 -1.81 0.00 0.00 61.98 58.19 3kak s VAL 447 Cb -0.15 -1.97 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 3kak s VAL 447 CO -0.00 -0.42 -0.14 0.27 -0.31 0.00 0.00 175.10 174.49 3kak s ILE 448 N -2.43 3.09 -0.06 -0.62 -4.36 0.11 -1.92 121.20 115.01 3kak s ILE 448 Ca 0.20 -1.41 0.04 0.00 -0.26 0.00 0.00 60.65 59.22 3kak s ILE 448 Cb -0.04 -2.43 -0.02 0.00 1.25 0.00 0.00 42.46 41.22 3kak s ILE 448 CO 0.08 0.10 -0.17 -0.44 0.24 0.00 0.00 174.94 174.74 3kak s SER 449 N -2.19 3.75 -0.21 4.36 0.01 -1.26 -1.25 113.70 116.91 3kak s SER 449 Ca 0.20 -0.29 -0.01 0.00 1.31 0.00 0.00 55.95 57.15 3kak s SER 449 Cb -0.11 -0.86 0.02 0.00 0.21 0.00 0.00 66.02 65.28 3kak s SER 449 CO 0.12 0.31 -0.12 -1.61 0.41 0.00 0.00 173.24 172.34 3kak s GLU 450 N -0.50 3.03 -0.24 12.44 2.02 0.32 -4.70 118.70 131.06 3kak s GLU 450 Ca 0.07 -0.83 -0.11 0.00 0.02 0.00 0.00 54.97 54.12 3kak s GLU 450 Cb -0.12 -2.80 -0.05 0.00 0.10 0.00 0.00 34.13 31.26 3kak s GLU 450 CO 0.01 -0.26 0.19 0.00 0.02 0.00 0.00 175.26 175.22 3kak s ALA 451 N 1.34 3.59 -0.14 5.21 0.00 -0.27 -2.19 121.76 129.31 3kak s ALA 451 Ca 0.04 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 3kak s ALA 451 Cb -0.14 -2.38 -0.02 0.00 0.00 0.00 0.00 23.12 20.58 3kak s ALA 451 CO -0.08 -0.27 -0.09 0.20 0.00 0.00 0.00 175.76 175.52 3kak s GLY 452 N 1.17 1.61 -0.24 0.00 0.00 -0.24 -0.50 107.32 109.12 3kak s GLY 452 Ca 0.08 -0.87 -0.07 0.00 0.00 0.00 0.00 44.72 43.86 3kak s GLY 452 CO 0.06 -0.12 0.06 -0.42 0.00 0.00 0.00 173.10 172.67 3kak s ILE 453 N 0.40 4.26 0.38 0.90 -1.09 0.20 -1.19 121.20 125.06 3kak s ILE 453 Ca -0.08 -0.19 -0.24 0.00 -2.23 0.00 0.00 60.65 57.91 3kak s ILE 453 Cb -0.15 -2.98 -0.10 0.00 -1.58 0.00 0.00 42.46 37.65 3kak s ILE 453 CO 0.04 0.36 0.99 -0.36 -1.23 0.00 0.00 174.94 174.74 3kak s PHE 454 N 1.44 3.44 0.10 3.97 0.08 0.12 -1.02 117.98 126.11 3kak s PHE 454 Ca 0.05 1.69 0.07 0.00 0.12 0.00 0.00 56.93 58.86 3kak s PHE 454 Cb -0.15 -2.99 -0.03 0.00 -0.57 0.00 0.00 43.02 39.28 3kak s PHE 454 CO 0.03 -0.19 -0.17 0.20 -0.10 0.00 0.00 175.22 174.99 3kak s GLY 455 N -1.72 1.08 0.04 4.36 0.00 -0.51 0.14 107.32 110.71 3kak s GLY 455 Ca 0.56 -1.17 0.09 0.00 0.00 0.00 0.00 44.72 44.20 3kak s GLY 455 CO 0.23 -1.19 -0.26 -0.51 0.00 0.00 0.00 173.10 171.38 3kak s THR 456 N -1.35 2.19 -0.06 0.90 -4.23 -0.58 -1.65 115.64 110.87 3kak s THR 456 Ca 0.04 -1.34 -0.05 0.00 -1.18 0.00 0.00 61.69 59.16 3kak s THR 456 Cb -0.09 -1.85 0.02 0.00 1.34 0.00 0.00 72.50 71.92 3kak s THR 456 CO 0.03 0.39 0.16 -0.47 -0.54 0.00 0.00 174.62 174.19 3kak s TYR 457 N -0.79 -0.18 -0.14 3.99 6.14 0.36 -0.20 117.35 126.53 3kak s TYR 457 Ca 0.12 0.44 -0.07 0.00 0.64 0.00 0.00 57.07 58.20 3kak s TYR 457 Cb -0.10 0.05 0.06 0.00 0.42 0.00 0.00 41.96 42.38 3kak s TYR 457 CO 0.02 -0.09 0.32 -1.17 0.64 0.00 0.00 175.55 175.26 3kak s LEU 458 N 0.21 0.06 0.04 6.97 2.96 0.32 0.07 118.68 129.30 3kak s LEU 458 Ca -0.01 0.70 -0.01 0.00 -0.22 0.00 0.00 54.13 54.59 3kak s LEU 458 Cb -0.02 0.99 -0.03 0.00 0.50 0.00 0.00 46.19 47.63 3kak s LEU 458 CO -0.01 -0.19 -0.02 0.00 -1.32 0.00 0.00 176.35 174.82 3kak s ARG 459 N 1.57 0.49 -0.18 1.98 1.70 0.73 -0.44 118.95 124.81 3kak s ARG 459 Ca -0.07 -0.93 0.01 0.00 -0.47 0.00 0.00 55.73 54.26 3kak s ARG 459 Cb -0.10 0.17 0.01 0.00 -0.57 0.00 0.00 34.95 34.47 3kak s ARG 459 CO -0.10 -0.09 -0.18 1.21 -1.08 0.00 0.00 175.30 175.05 3kak s ASN 460 N -2.27 3.31 0.00 -2.89 2.47 -0.55 -0.46 114.94 114.54 3kak s ASN 460 Ca -0.03 -0.60 0.00 0.00 0.42 0.00 0.00 52.86 52.65 3kak s ASN 460 Cb 0.00 -1.51 0.00 0.00 -1.45 0.00 0.00 41.25 38.29 3kak s ASN 460 CO -0.06 0.02 0.00 2.29 -3.72 0.00 0.00 177.10 175.63 3kak n LYS 461 N 4.50 0.00 -0.03 0.43 2.85 0.49 -0.11 118.16 126.28 3kak n LYS 461 Ca -0.20 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.06 3kak n LYS 461 Cb 0.50 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.88 3kak n LYS 461 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3kak n ASP 462 N 0.00 0.00 -4.70 -5.58 8.00 -1.26 -5.01 116.55 108.00 3kak n ASP 462 Ca 0.00 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.13 3kak n ASP 462 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 3kak n ASP 462 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3kak s LYS 463 N -0.76 4.18 -0.36 -1.24 2.20 0.84 -5.03 119.74 119.58 3kak s LYS 463 Ca 0.00 -0.01 -0.15 0.00 -0.36 0.00 0.00 55.97 55.45 3kak s LYS 463 Cb 0.00 -3.48 -0.01 0.00 -1.51 0.00 0.00 37.83 32.83 3kak s LYS 463 CO 0.00 0.13 0.36 0.42 -0.36 0.00 0.00 175.35 175.90 3kak s ILE 464 N 0.83 5.17 -0.21 5.43 -1.09 -1.26 -1.48 121.20 128.58 3kak s ILE 464 Ca 0.14 -0.05 -0.20 0.00 -2.23 0.00 0.00 60.65 58.30 3kak s ILE 464 Cb -0.13 -3.85 -0.18 0.00 -1.58 0.00 0.00 42.46 36.72 3kak s ILE 464 CO 0.04 -0.14 0.12 -0.38 -1.23 0.00 0.00 174.94 173.36 3kak n ILE 465 N 5.26 1.53 -5.05 2.92 5.41 0.42 -4.84 119.36 125.01 3kak n ILE 465 Ca -0.09 -0.06 -0.29 0.00 1.00 0.00 0.00 62.75 63.30 3kak n ILE 465 Cb 0.49 -2.04 -0.17 0.00 -0.71 0.00 0.00 39.64 37.22 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 -2.38 1.78 -0.29 1.39 1.01 0.08 -4.93 121.20 117.87 3kak s ILE 466 Ca -0.30 -0.88 -0.04 0.00 0.00 0.00 0.00 60.65 59.44 3kak s ILE 466 Cb 0.07 -1.54 0.10 0.00 0.01 0.00 0.00 42.46 41.10 3kak s ILE 466 CO 0.56 0.50 0.15 0.21 0.00 0.00 0.00 174.94 176.36 3kak s ASN 467 N 0.24 3.26 0.02 3.58 2.47 -1.24 -0.52 114.94 122.74 3kak s ASN 467 Ca -0.12 -1.19 0.02 0.00 0.42 0.00 0.00 52.86 51.98 3kak s ASN 467 Cb -0.16 -0.24 -0.01 0.00 -1.45 0.00 0.00 41.25 39.39 3kak s ASN 467 CO 0.06 -0.43 -0.06 0.20 -3.72 0.00 0.00 177.10 173.14 3kak s ASN 468 N 2.13 0.73 0.01 -4.21 0.02 0.73 -4.83 114.94 109.52 3kak s ASN 468 Ca 0.09 -0.32 -0.30 0.00 -1.02 0.00 0.00 52.86 51.30 3kak s ASN 468 Cb -0.16 -0.01 -0.06 0.00 0.02 0.00 0.00 41.25 41.04 3kak s ASN 468 CO -0.35 -0.07 1.48 -0.70 0.02 0.00 0.00 177.10 177.48 3kak s GLU 469 N -0.86 4.25 -0.35 -0.60 -6.30 -1.26 -1.52 118.70 112.06 3kak s GLU 469 Ca -0.04 2.07 0.13 0.00 -2.50 0.00 0.00 54.97 54.63 3kak s GLU 469 Cb -0.06 -3.62 0.45 0.00 0.00 0.00 0.00 34.13 30.90 3kak s GLU 469 CO 0.00 -0.64 1.04 0.43 0.02 0.00 0.00 175.26 176.11 3kak n SER 470 N 5.62 2.84 0.00 -1.70 7.64 0.12 -4.87 113.62 123.27 3kak n SER 470 Ca 0.14 -3.06 0.00 0.00 1.01 0.00 0.00 58.87 56.96 3kak n SER 470 Cb 0.43 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 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 -0.31 -1.99 3.55 0.23 0.00 -1.26 -3.74 105.19 101.68 3kak n GLY 471 Ca 0.22 -1.53 -0.09 0.00 0.00 0.00 0.00 46.02 44.62 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 0.17 0.24 1.61 -0.85 -1.26 -0.70 117.35 116.57 3kak s TYR 472 Ca 0.00 -0.54 -0.02 0.00 -0.52 0.00 0.00 57.07 55.99 3kak s TYR 472 Cb 0.00 0.26 -0.03 0.00 0.38 0.00 0.00 41.96 42.57 3kak s TYR 472 CO 0.00 -0.95 0.25 0.00 -1.52 0.00 0.00 175.55 173.33 3kak s MET 473 N -3.96 1.42 -0.00 -3.49 0.23 -0.33 -4.39 119.30 108.77 3kak s MET 473 Ca 0.17 -1.62 0.00 0.00 -1.03 0.00 0.00 55.69 53.21 3kak s MET 473 Cb -0.01 0.34 0.00 0.00 -1.53 0.00 0.00 34.83 33.63 3kak s MET 473 CO 0.04 -0.52 -0.01 0.08 -2.03 0.00 0.00 175.02 172.59 3kak s VAL 474 N -3.93 0.06 -0.14 5.16 1.01 -1.24 -1.08 120.40 120.24 3kak s VAL 474 Ca 0.35 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.32 3kak s VAL 474 Cb 0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 36.38 36.35 3kak s VAL 474 CO 0.14 0.03 -0.17 -0.13 0.00 0.00 0.00 175.10 174.97 3kak s ARG 475 N 0.06 3.21 -0.07 2.72 0.52 -0.93 -1.17 118.95 123.29 3kak s ARG 475 Ca -0.00 -0.76 0.04 0.00 -0.52 0.00 0.00 55.73 54.49 3kak s ARG 475 Cb -0.01 -2.57 -0.00 0.00 0.52 0.00 0.00 34.95 32.89 3kak s ARG 475 CO -0.00 0.07 -0.21 0.99 0.02 0.00 0.00 175.30 176.17 3kak s THR 476 N 0.67 1.78 0.06 0.02 2.01 -0.10 -0.52 115.64 119.56 3kak s THR 476 Ca -0.08 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.04 3kak s THR 476 Cb -0.16 -1.54 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 3kak s THR 476 CO 0.02 0.50 -0.05 -1.59 -0.69 0.00 0.00 174.62 172.81 3kak s LYS 477 N 0.21 0.66 0.50 4.92 0.00 -0.38 -1.39 119.74 124.27 3kak s LYS 477 Ca -0.12 -1.19 -0.22 0.00 0.00 0.00 0.00 55.97 54.45 3kak s LYS 477 Cb -0.15 0.02 -0.06 0.00 0.00 0.00 0.00 37.83 37.63 3kak s LYS 477 CO 0.05 -0.06 1.21 0.42 0.00 0.00 0.00 175.35 176.97 3kak s ILE 478 N -3.46 2.82 0.00 3.79 -1.09 -1.26 0.07 121.20 122.06 3kak s ILE 478 Ca 0.06 0.59 0.00 0.00 -2.23 0.00 0.00 60.65 59.07 3kak s ILE 478 Cb 0.04 -3.29 0.00 0.00 -1.58 0.00 0.00 42.46 37.64 3kak s ILE 478 CO -0.07 -0.03 0.00 -1.20 -1.23 0.00 0.00 174.94 172.41 3kak n SER 479 N -0.81 0.00 -1.79 3.58 7.64 -0.86 -4.77 113.62 116.61 3kak n SER 479 Ca 0.09 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.93 3kak n SER 479 Cb 0.48 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.62 3kak n SER 479 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3kak n PHE 490 N 0.00 0.00 -3.56 1.43 3.01 -1.26 -4.71 117.46 112.37 3kak n PHE 490 Ca 0.00 -0.99 0.00 0.00 1.01 0.00 0.00 57.45 57.47 3kak n PHE 490 Cb 0.00 -0.83 0.00 0.00 -0.01 0.00 0.00 39.48 38.64 3kak n PHE 490 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kak n GLY 491 N 1.99 -0.96 3.39 1.37 0.00 -1.26 -4.94 105.19 104.78 3kak n GLY 491 Ca 0.14 -1.29 -0.19 0.00 0.00 0.00 0.00 46.02 44.68 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 1.25 0.35 1.61 -7.23 -0.48 -4.80 120.40 111.10 3kak s VAL 492 Ca 0.00 -2.05 0.02 0.00 -1.81 0.00 0.00 61.98 58.14 3kak s VAL 492 Cb 0.00 -2.48 -0.02 0.00 0.56 0.00 0.00 36.38 34.44 3kak s VAL 492 CO 0.00 -0.24 0.54 0.68 -0.31 0.00 0.00 175.10 175.76 3kak s VAL 493 N -3.27 4.76 0.02 1.32 -7.23 -0.40 -0.92 120.40 114.68 3kak s VAL 493 Ca 0.31 -0.62 -0.01 0.00 -1.81 0.00 0.00 61.98 59.85 3kak s VAL 493 Cb 0.06 -3.72 0.00 0.00 0.56 0.00 0.00 36.38 33.28 3kak s VAL 493 CO 0.11 -0.42 0.04 -0.67 -0.31 0.00 0.00 175.10 173.84 3kak n ASP 494 N -1.77 -0.10 0.00 4.85 -0.08 -0.32 -1.54 116.55 117.59 3kak n ASP 494 Ca -0.04 -1.08 0.00 0.00 -1.51 0.00 0.00 54.79 52.16 3kak n ASP 494 Cb 0.57 0.17 0.00 0.00 2.34 0.00 0.00 41.12 44.20 3kak n ASP 494 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 3kak n THR 495 N -0.03 0.00 -4.21 5.18 -2.24 -1.26 -3.60 114.28 108.12 3kak n THR 495 Ca -0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 3kak n THR 495 Cb 0.03 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.15 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 -0.01 1.13 -0.31 2.28 -7.23 -1.26 -4.05 120.40 110.95 3kak s VAL 496 Ca 0.00 -1.73 0.02 0.00 -1.81 0.00 0.00 61.98 58.46 3kak s VAL 496 Cb 0.00 -1.49 0.08 0.00 0.56 0.00 0.00 36.38 35.52 3kak s VAL 496 CO 0.00 -0.53 -0.00 -0.47 -0.31 0.00 0.00 175.10 173.79 3kak s TYR 497 N -2.44 3.48 0.36 2.82 6.14 0.56 -4.29 117.35 123.97 3kak s TYR 497 Ca 0.08 -2.49 -0.28 0.00 0.64 0.00 0.00 57.07 55.02 3kak s TYR 497 Cb -0.03 -2.45 -0.11 0.00 0.42 0.00 0.00 41.96 39.79 3kak s TYR 497 CO 0.01 -0.90 1.45 -0.51 0.64 0.00 0.00 175.55 176.25 3kak s LEU 498 N 1.06 4.34 0.00 6.97 1.43 0.14 -1.93 118.68 130.69 3kak s LEU 498 Ca 0.00 2.97 0.00 0.00 -1.03 0.00 0.00 54.13 56.07 3kak s LEU 498 Cb -0.20 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.36 3kak s LEU 498 CO -0.05 -0.80 0.00 0.41 0.23 0.00 0.00 176.35 176.13