#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kyc n GLY 6 N 0.00 0.58 3.81 -0.13 0.00 -1.26 -4.93 105.19 103.26 3kyc n GLY 6 Ca 0.00 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 3kyc n GLY 6 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kyc s LEU 7 N -1.16 3.92 0.32 0.99 2.01 -1.26 -5.09 118.68 118.41 3kyc s LEU 7 Ca 0.27 0.03 -0.29 0.00 0.01 0.00 0.00 54.13 54.15 3kyc s LEU 7 Cb 0.14 -2.58 -0.11 0.00 0.01 0.00 0.00 46.19 43.66 3kyc s LEU 7 CO 0.19 0.15 1.43 -2.16 1.01 0.00 0.00 176.35 176.97 3kyc s PRO 8 N -2.55 4.24 0.00 1.29 0.04 -1.26 -4.41 135.00 132.35 3kyc s PRO 8 Ca 0.31 2.38 0.00 0.00 0.04 0.00 0.00 61.00 63.73 3kyc s PRO 8 Cb -0.12 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.37 3kyc s PRO 8 CO 0.24 -0.40 0.00 -2.13 0.04 0.00 0.00 177.00 174.75 3kyc n ARG 9 N 1.26 0.00 -0.04 4.56 0.63 -1.26 -0.17 116.66 121.64 3kyc n ARG 9 Ca 0.03 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.87 3kyc n ARG 9 Cb 0.40 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.29 3kyc n ARG 9 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 3kyc h GLU 10 N 0.00 -0.29 -0.43 -0.14 4.39 -2.00 -2.77 114.58 113.34 3kyc h GLU 10 Ca 0.00 0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.65 3kyc h GLU 10 Cb 0.00 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 3kyc h GLU 10 CO 0.00 -0.19 -0.02 1.25 -1.16 0.00 0.00 179.01 178.89 3kyc h LEU 11 N -0.30 0.76 -0.62 1.33 5.85 -0.90 -1.36 115.31 120.07 3kyc h LEU 11 Ca 0.13 -0.32 -0.15 0.00 0.84 0.00 0.00 57.88 58.38 3kyc h LEU 11 Cb 0.50 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3kyc h LEU 11 CO -0.40 0.89 -0.65 0.00 -0.34 0.00 0.00 178.44 177.94 3kyc h ALA 12 N 0.89 0.82 -0.21 1.25 0.00 -1.48 -1.70 119.26 118.83 3kyc h ALA 12 Ca 0.12 -0.58 -0.14 0.00 0.00 0.00 0.00 54.91 54.31 3kyc h ALA 12 Cb 0.52 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3kyc h ALA 12 CO 0.03 0.77 -0.42 1.49 0.00 0.00 0.00 179.25 181.11 3kyc h GLU 13 N 0.13 0.67 -0.54 0.00 4.81 -1.45 -2.40 114.58 115.79 3kyc h GLU 13 Ca -0.01 -0.43 0.15 0.00 -0.13 0.00 0.00 59.36 58.94 3kyc h GLU 13 Cb 1.17 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 3kyc h GLU 13 CO 0.10 1.05 0.38 0.00 -0.73 0.00 0.00 179.01 179.81 3kyc h ALA 14 N 0.61 2.47 0.12 2.92 0.00 -1.01 1.14 119.26 125.52 3kyc h ALA 14 Ca 0.01 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.58 3kyc h ALA 14 Cb 1.03 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3kyc h ALA 14 CO 0.09 -0.62 -1.62 0.28 0.00 0.00 0.00 179.25 177.38 3kyc h VAL 15 N 0.03 1.05 0.00 0.00 2.07 -1.26 0.30 116.25 118.44 3kyc h VAL 15 Ca 0.26 -2.70 -0.10 0.00 0.82 0.00 0.00 66.70 64.97 3kyc h VAL 15 Cb 0.99 2.71 -0.01 0.00 -1.52 0.00 0.00 31.29 33.46 3kyc h VAL 15 CO -0.01 0.81 -0.46 0.00 0.02 0.00 0.00 177.57 177.93 3kyc h ALA 16 N 0.43 0.77 0.35 1.67 0.00 -1.09 -3.10 119.26 118.29 3kyc h ALA 16 Ca -0.28 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.20 3kyc h ALA 16 Cb 2.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.75 3kyc h ALA 16 CO 0.15 0.58 -0.17 0.78 0.00 0.00 0.00 179.25 180.59 3kyc h GLY 17 N 2.99 -0.48 -1.23 0.00 0.00 0.13 -3.42 103.07 101.05 3kyc h GLY 17 Ca -0.00 0.18 -0.50 0.00 0.00 0.00 0.00 47.33 47.00 3kyc h GLY 17 CO 0.06 -0.18 0.23 -0.32 0.00 0.00 0.00 176.54 176.33 3kyc s GLY 18 N -3.02 1.66 -0.10 4.60 0.00 0.10 -4.95 107.32 105.61 3kyc s GLY 18 Ca -0.07 0.31 -0.01 0.00 0.00 0.00 0.00 44.72 44.94 3kyc s GLY 18 CO 0.23 0.76 -0.03 -1.60 0.00 0.00 0.00 173.10 172.45 3kyc s ARG 19 N -4.75 3.07 0.11 2.90 3.52 -1.26 -4.06 118.95 118.49 3kyc s ARG 19 Ca 0.65 -0.48 0.10 0.00 -0.13 0.00 0.00 55.73 55.86 3kyc s ARG 19 Cb -0.21 -2.75 -0.04 0.00 -1.56 0.00 0.00 34.95 30.39 3kyc s ARG 19 CO 0.58 0.58 -0.25 0.14 -0.81 0.00 0.00 175.30 175.54 3kyc s VAL 20 N -0.55 2.04 -0.19 7.11 -7.23 -0.48 -0.54 120.40 120.56 3kyc s VAL 20 Ca 0.09 -1.64 -0.03 0.00 -1.81 0.00 0.00 61.98 58.59 3kyc s VAL 20 Cb -0.12 -1.82 -0.01 0.00 0.56 0.00 0.00 36.38 35.00 3kyc s VAL 20 CO 0.02 0.06 -0.07 -0.22 -0.31 0.00 0.00 175.10 174.57 3kyc s LEU 21 N -1.93 2.84 -0.35 1.32 2.96 -0.45 0.02 118.68 123.09 3kyc s LEU 21 Ca 0.11 -0.37 -0.07 0.00 -0.22 0.00 0.00 54.13 53.58 3kyc s LEU 21 Cb -0.10 -1.70 0.04 0.00 0.50 0.00 0.00 46.19 44.94 3kyc s LEU 21 CO 0.05 0.05 0.13 -0.69 -1.32 0.00 0.00 176.35 174.57 3kyc s VAL 22 N 1.08 3.89 -0.55 1.68 1.01 -0.27 0.32 120.40 127.56 3kyc s VAL 22 Ca 0.01 -1.16 -0.24 0.00 0.00 0.00 0.00 61.98 60.59 3kyc s VAL 22 Cb -0.15 -3.23 0.04 0.00 0.00 0.00 0.00 36.38 33.05 3kyc s VAL 22 CO -0.01 -0.23 0.91 -0.69 0.00 0.00 0.00 175.10 175.08 3kyc s VAL 23 N 1.41 4.43 0.00 2.92 1.01 -0.43 -2.29 120.40 127.46 3kyc s VAL 23 Ca -0.01 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.17 3kyc s VAL 23 Cb -0.20 -4.52 0.00 0.00 0.00 0.00 0.00 36.38 31.66 3kyc s VAL 23 CO 0.03 -1.09 0.00 0.61 0.00 0.00 0.00 175.10 174.65 3kyc n GLY 24 N 5.12 2.57 2.50 4.51 0.00 0.15 0.03 105.19 120.09 3kyc n GLY 24 Ca 0.01 -1.54 -0.13 0.00 0.00 0.00 0.00 46.02 44.37 3kyc n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kyc n ALA 25 N 1.42 3.82 -1.76 4.61 0.00 -1.26 -4.40 120.51 122.94 3kyc n ALA 25 Ca 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 53.44 50.09 3kyc n ALA 25 Cb 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3kyc n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kyc n GLY 26 N -0.53 0.66 0.25 0.00 0.00 -1.26 -4.27 105.19 100.04 3kyc n GLY 26 Ca 0.23 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 3kyc n GLY 26 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kyc h GLY 27 N 0.00 -0.87 0.72 -0.02 0.00 -1.92 -0.57 103.07 100.42 3kyc h GLY 27 Ca 0.00 0.37 0.06 0.00 0.00 0.00 0.00 47.33 47.76 3kyc h GLY 27 CO 0.00 -0.29 0.46 -2.22 0.00 0.00 0.00 176.54 174.48 3kyc h ILE 28 N -0.56 1.02 0.00 2.60 2.04 -1.88 -3.21 117.51 117.52 3kyc h ILE 28 Ca -0.05 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3kyc h ILE 28 Cb 0.46 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 3kyc h ILE 28 CO 0.02 0.15 0.00 0.61 0.00 0.00 0.00 178.15 178.94 3kyc n GLY 29 N -1.31 -2.97 0.22 5.37 0.00 -1.02 -0.19 105.19 105.29 3kyc n GLY 29 Ca 0.10 0.35 -0.03 0.00 0.00 0.00 0.00 46.02 46.44 3kyc n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kyc h GLU 31 N -0.03 -0.05 -0.30 0.00 4.39 -1.51 -1.95 114.58 115.12 3kyc h GLU 31 Ca 0.25 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.99 3kyc h GLU 31 Cb 0.41 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.03 3kyc h GLU 31 CO -0.54 -0.03 0.07 1.25 -1.16 0.00 0.00 179.01 178.59 3kyc h LEU 32 N -0.05 0.03 -0.36 1.33 6.46 0.26 -2.13 115.31 120.85 3kyc h LEU 32 Ca 0.22 0.05 0.04 0.00 -0.12 0.00 0.00 57.88 58.06 3kyc h LEU 32 Cb 0.38 0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.33 3kyc h LEU 32 CO -0.48 0.05 0.14 0.25 -0.62 0.00 0.00 178.44 177.78 3kyc h LEU 33 N 0.18 0.16 0.44 2.25 5.85 -0.61 0.78 115.31 124.37 3kyc h LEU 33 Ca 0.14 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 3kyc h LEU 33 Cb 0.14 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3kyc h LEU 33 CO -0.18 0.13 -0.34 0.50 -0.34 0.00 0.00 178.44 178.21 3kyc h LYS 34 N 0.30 -0.74 -0.75 1.25 3.64 -1.31 -1.20 116.57 117.75 3kyc h LYS 34 Ca 0.16 0.05 0.12 0.00 -1.27 0.00 0.00 60.65 59.72 3kyc h LYS 34 Cb 0.13 0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.06 3kyc h LYS 34 CO -0.16 -0.50 0.50 -0.91 -2.27 0.00 0.00 179.45 176.12 3kyc h ASN 35 N -0.77 0.49 -0.05 4.20 2.35 -0.81 -0.42 115.58 120.58 3kyc h ASN 35 Ca -0.04 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 3kyc h ASN 35 Cb 0.66 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.95 3kyc h ASN 35 CO -0.00 0.27 -0.08 -0.07 -1.65 0.00 0.00 177.43 175.90 3kyc h LEU 36 N 0.53 0.16 -0.03 1.61 3.38 0.09 -0.09 115.31 120.97 3kyc h LEU 36 Ca 0.36 -0.54 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3kyc h LEU 36 Cb 0.67 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 3kyc h LEU 36 CO -0.13 0.67 0.02 -0.37 0.09 0.00 0.00 178.44 178.72 3kyc h VAL 37 N -0.34 1.05 0.00 1.22 -1.51 -1.02 0.11 116.25 115.77 3kyc h VAL 37 Ca 0.00 -0.16 -0.00 0.00 -1.23 0.00 0.00 66.70 65.32 3kyc h VAL 37 Cb 0.64 1.11 -0.00 0.00 -2.13 0.00 0.00 31.29 30.90 3kyc h VAL 37 CO 0.02 0.04 -0.01 -0.07 -1.23 0.00 0.00 177.57 176.32 3kyc h LEU 38 N -0.02 0.00 -0.05 4.19 3.38 -0.98 1.20 115.31 123.04 3kyc h LEU 38 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kyc h LEU 38 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3kyc h LEU 38 CO -0.00 0.01 -0.14 0.41 0.09 0.00 0.00 178.44 178.81 3kyc n THR 39 N -3.16 0.00 -1.30 0.22 -1.04 -0.06 -4.93 114.28 104.01 3kyc n THR 39 Ca -0.02 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 3kyc n THR 39 Cb 0.15 -0.24 0.00 0.00 -1.82 0.00 0.00 70.33 68.42 3kyc n THR 39 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kyc n GLY 40 N 1.43 0.63 3.55 3.41 0.00 0.41 -4.42 105.19 110.20 3kyc n GLY 40 Ca 0.09 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 3kyc n GLY 40 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kyc s PHE 41 N -2.33 3.19 -0.08 1.61 0.40 0.33 -4.23 117.98 116.86 3kyc s PHE 41 Ca 0.00 0.07 -0.18 0.00 -0.60 0.00 0.00 56.93 56.22 3kyc s PHE 41 Cb 0.00 -2.82 -0.29 0.00 0.51 0.00 0.00 43.02 40.42 3kyc s PHE 41 CO 0.00 -0.51 0.68 0.66 0.70 0.00 0.00 175.22 176.75 3kyc h SER 42 N 8.47 0.40 -3.60 1.36 4.64 -1.82 -3.38 113.55 119.63 3kyc h SER 42 Ca -0.28 -0.88 -0.70 0.00 -0.47 0.00 0.00 61.79 59.45 3kyc h SER 42 Cb 1.13 -0.13 -0.22 0.00 -0.31 0.00 0.00 62.40 62.87 3kyc h SER 42 CO 0.74 1.52 -0.48 -1.00 -0.87 0.00 0.00 176.83 176.75 3kyc s HIS 43 N -2.45 3.23 -0.08 4.77 3.76 -1.26 -0.87 115.29 122.39 3kyc s HIS 43 Ca -0.18 -0.59 -0.01 0.00 -0.15 0.00 0.00 55.06 54.13 3kyc s HIS 43 Cb 0.03 -2.49 0.03 0.00 1.11 0.00 0.00 32.58 31.26 3kyc s HIS 43 CO 0.79 -0.53 -0.03 0.42 -0.85 0.00 0.00 174.74 174.53 3kyc s ILE 44 N 1.65 0.63 0.02 0.60 1.01 -0.43 -1.38 121.20 123.29 3kyc s ILE 44 Ca 0.04 -0.06 -0.16 0.00 0.00 0.00 0.00 60.65 60.47 3kyc s ILE 44 Cb -0.18 -0.72 -0.06 0.00 0.01 0.00 0.00 42.46 41.51 3kyc s ILE 44 CO 0.09 0.29 0.47 -1.81 0.00 0.00 0.00 174.94 173.98 3kyc s ASP 45 N 1.71 6.89 -0.04 3.58 1.11 0.10 -1.45 116.67 128.57 3kyc s ASP 45 Ca 0.02 1.05 -0.00 0.00 0.18 0.00 0.00 52.55 53.80 3kyc s ASP 45 Cb -0.13 -2.29 0.03 0.00 1.07 0.00 0.00 42.92 41.60 3kyc s ASP 45 CO -0.05 0.28 -0.01 -0.22 1.18 0.00 0.00 175.17 176.36 3kyc s LEU 46 N -0.96 0.99 -0.03 1.23 0.20 0.38 -1.12 118.68 119.38 3kyc s LEU 46 Ca 0.26 -0.06 0.01 0.00 0.69 0.00 0.00 54.13 55.03 3kyc s LEU 46 Cb -0.17 -0.32 0.01 0.00 -0.43 0.00 0.00 46.19 45.28 3kyc s LEU 46 CO 0.15 -0.12 -0.04 -0.51 -0.29 0.00 0.00 176.35 175.54 3kyc s ILE 47 N 1.30 0.45 -0.04 6.68 2.07 -0.97 -0.46 121.20 130.23 3kyc s ILE 47 Ca -0.06 -0.13 -0.09 0.00 -1.41 0.00 0.00 60.65 58.97 3kyc s ILE 47 Cb -0.13 -0.45 0.01 0.00 0.13 0.00 0.00 42.46 42.02 3kyc s ILE 47 CO -0.02 0.18 0.20 -0.62 -1.91 0.00 0.00 174.94 172.77 3kyc s ASP 48 N 0.57 -0.12 -0.21 4.50 2.15 -1.01 0.34 116.67 122.88 3kyc s ASP 48 Ca -0.07 0.12 0.13 0.00 0.43 0.00 0.00 52.55 53.16 3kyc s ASP 48 Cb -0.10 0.33 0.76 0.00 -0.30 0.00 0.00 42.92 43.61 3kyc s ASP 48 CO -0.00 -0.26 1.66 0.00 -0.17 0.00 0.00 175.17 176.40 3kyc n LEU 49 N 2.04 5.37 -4.18 -1.34 -0.00 -1.08 -0.83 117.00 116.98 3kyc n LEU 49 Ca -0.18 -2.73 -0.12 0.00 -0.00 0.00 0.00 56.01 52.98 3kyc n LEU 49 Cb 0.57 -0.67 -0.10 0.00 -0.00 0.00 0.00 43.42 43.22 3kyc n LEU 49 CO 0.20 0.61 -0.40 -0.62 -0.00 0.00 0.00 177.39 177.19 3kyc s ASP 50 N -0.73 1.30 0.54 1.45 3.68 -1.26 -4.66 116.67 116.99 3kyc s ASP 50 Ca 0.51 -0.93 0.05 0.00 2.13 0.00 0.00 52.55 54.31 3kyc s ASP 50 Cb 0.38 0.05 0.05 0.00 -1.45 0.00 0.00 42.92 41.96 3kyc s ASP 50 CO 0.15 -0.38 0.74 0.42 0.13 0.00 0.00 175.17 176.24 3kyc s THR 51 N -3.13 2.57 0.29 1.71 -4.23 -1.26 -0.27 115.64 111.32 3kyc s THR 51 Ca 0.10 -0.86 -0.19 0.00 -1.18 0.00 0.00 61.69 59.56 3kyc s THR 51 Cb 0.02 -2.72 -0.09 0.00 1.34 0.00 0.00 72.50 71.05 3kyc s THR 51 CO -0.02 0.00 0.78 -0.63 -0.54 0.00 0.00 174.62 174.20 3kyc s ILE 52 N -2.65 4.55 -0.01 2.99 1.01 0.99 -4.67 121.20 123.42 3kyc s ILE 52 Ca 0.59 1.24 -0.05 0.00 0.00 0.00 0.00 60.65 62.43 3kyc s ILE 52 Cb -0.08 -3.75 -0.00 0.00 0.01 0.00 0.00 42.46 38.63 3kyc s ILE 52 CO 0.38 -0.01 0.09 -0.62 0.00 0.00 0.00 174.94 174.78 3kyc s ASP 53 N -1.94 0.03 0.16 3.58 3.68 -1.26 -0.97 116.67 119.94 3kyc s ASP 53 Ca 0.50 -0.15 -0.16 0.00 2.13 0.00 0.00 52.55 54.87 3kyc s ASP 53 Cb -0.14 0.19 0.04 0.00 -1.45 0.00 0.00 42.92 41.56 3kyc s ASP 53 CO 0.19 -0.26 1.80 1.62 0.13 0.00 0.00 175.17 178.65 3kyc h VAL 54 N 4.56 1.04 0.00 1.11 3.04 -1.97 -2.44 116.25 121.59 3kyc h VAL 54 Ca -0.29 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.24 3kyc h VAL 54 Cb 1.20 0.52 0.00 0.00 -2.01 0.00 0.00 31.29 31.00 3kyc h VAL 54 CO 0.42 0.09 0.33 0.77 -1.01 0.00 0.00 177.57 178.16 3kyc h SER 55 N 0.47 0.00 0.78 3.17 4.64 -2.04 0.58 113.55 121.15 3kyc h SER 55 Ca 0.16 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.44 3kyc h SER 55 Cb 0.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3kyc h SER 55 CO -0.08 0.00 -0.19 0.78 -0.87 0.00 0.00 176.83 176.47 3kyc h ASN 56 N 0.00 0.00 0.37 4.97 -0.26 -1.87 -3.37 115.58 115.42 3kyc h ASN 56 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3kyc h ASN 56 Cb 0.66 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.92 3kyc h ASN 56 CO 0.00 0.19 0.00 0.18 -1.06 0.00 0.00 177.43 176.74 3kyc n LEU 57 N -3.43 0.00 -0.34 1.61 4.77 0.20 -2.06 117.00 117.74 3kyc n LEU 57 Ca -0.00 0.36 0.13 0.00 -0.03 0.00 0.00 56.01 56.47 3kyc n LEU 57 Cb 0.37 -0.36 0.46 0.00 -2.33 0.00 0.00 43.42 41.56 3kyc n LEU 57 CO 0.32 -0.18 0.76 -0.46 -1.33 0.00 0.00 177.39 176.51 3kyc n ASN 58 N -1.36 1.20 0.00 -1.43 6.94 -1.26 -4.54 115.26 114.81 3kyc n ASN 58 Ca 0.06 -1.15 0.00 0.00 -0.02 0.00 0.00 54.58 53.47 3kyc n ASN 58 Cb 0.14 0.06 0.00 0.00 -2.36 0.00 0.00 39.78 37.63 3kyc n ASN 58 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 3kyc n ARG 59 N -0.30 0.00 -3.86 -3.83 1.85 -0.88 -4.00 116.66 105.65 3kyc n ARG 59 Ca 0.15 -0.02 -0.28 0.00 -1.00 0.00 0.00 57.85 56.71 3kyc n ARG 59 Cb 0.35 -0.20 -0.12 0.00 -1.05 0.00 0.00 32.46 31.44 3kyc n ARG 59 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3kyc s GLN 60 N 0.00 2.33 0.33 2.89 -0.21 -0.93 -4.44 119.66 119.63 3kyc s GLN 60 Ca 0.00 -3.25 0.14 0.00 0.02 0.00 0.00 55.36 52.27 3kyc s GLN 60 Cb 0.00 -3.25 0.55 0.00 1.00 0.00 0.00 33.01 31.30 3kyc s GLN 60 CO 0.00 -1.30 1.70 0.27 -2.12 0.00 0.00 175.29 173.84 3kyc h PHE 61 N 5.41 0.00 0.00 0.91 -5.15 -1.89 -1.43 116.94 114.78 3kyc h PHE 61 Ca 0.16 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.93 3kyc h PHE 61 Cb 0.77 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.94 3kyc h PHE 61 CO 0.65 0.49 0.15 1.28 -2.00 0.00 0.00 178.31 178.88 3kyc n LEU 62 N -3.78 0.02 -4.26 2.10 4.77 -1.26 -4.74 117.00 109.85 3kyc n LEU 62 Ca -0.01 0.36 -0.32 0.00 -0.03 0.00 0.00 56.01 56.01 3kyc n LEU 62 Cb 0.54 -0.36 -0.16 0.00 -2.33 0.00 0.00 43.42 41.10 3kyc n LEU 62 CO 0.40 -0.37 -0.53 -0.36 -1.33 0.00 0.00 177.39 175.20 3kyc s PHE 63 N -2.73 2.60 0.31 -1.77 2.99 -0.54 -4.79 117.98 114.05 3kyc s PHE 63 Ca -0.00 -0.91 0.08 0.00 0.00 0.00 0.00 56.93 56.11 3kyc s PHE 63 Cb 0.00 -1.72 -0.04 0.00 0.00 0.00 0.00 43.02 41.26 3kyc s PHE 63 CO 0.01 -0.34 0.12 -0.65 -0.00 0.00 0.00 175.22 174.35 3kyc s GLN 64 N 0.26 2.43 0.40 0.44 -0.21 -1.26 -4.86 119.66 116.85 3kyc s GLN 64 Ca -0.15 -1.45 0.22 0.00 0.02 0.00 0.00 55.36 54.00 3kyc s GLN 64 Cb -0.17 -2.23 1.22 0.00 1.00 0.00 0.00 33.01 32.84 3kyc s GLN 64 CO 0.07 0.21 1.69 -0.22 -2.12 0.00 0.00 175.29 174.92 3kyc h LYS 65 N 1.62 0.25 -0.07 2.91 3.64 -1.98 0.64 116.57 123.57 3kyc h LYS 65 Ca -0.44 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 58.94 3kyc h LYS 65 Cb 1.25 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3kyc h LYS 65 CO 0.62 0.17 0.19 1.57 -2.27 0.00 0.00 179.45 179.73 3kyc h LYS 66 N 0.26 0.00 -0.02 1.90 2.10 -2.04 -2.29 116.57 116.48 3kyc h LYS 66 Ca 0.72 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.37 3kyc h LYS 66 Cb 1.95 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.28 3kyc h LYS 66 CO -0.43 0.00 -0.03 0.72 -2.00 0.00 0.00 179.45 177.71 3kyc n HIS 67 N -3.26 0.00 -1.68 0.07 8.25 0.22 -4.95 115.22 113.87 3kyc n HIS 67 Ca -0.01 0.00 -0.48 0.00 -0.26 0.00 0.00 57.72 56.97 3kyc n HIS 67 Cb 0.27 -0.01 -0.05 0.00 1.12 0.00 0.00 29.99 31.32 3kyc n HIS 67 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3kyc n VAL 68 N 0.15 0.36 0.00 1.59 0.31 -0.86 -1.96 118.33 117.92 3kyc n VAL 68 Ca 0.18 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 3kyc n VAL 68 Cb 0.37 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 3kyc n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kyc n GLY 69 N 4.01 0.40 3.98 2.92 0.00 -0.15 -4.94 105.19 111.41 3kyc n GLY 69 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 3kyc n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kyc s ARG 70 N -0.81 2.20 0.12 1.61 0.52 -0.83 -4.65 118.95 117.11 3kyc s ARG 70 Ca 0.00 -0.95 -0.30 0.00 -0.52 0.00 0.00 55.73 53.95 3kyc s ARG 70 Cb 0.00 -2.44 -0.07 0.00 0.52 0.00 0.00 34.95 32.97 3kyc s ARG 70 CO 0.00 -1.00 1.19 0.45 0.02 0.00 0.00 175.30 175.96 3kyc s SER 71 N -4.56 7.09 0.14 0.23 0.15 -1.26 -0.01 113.70 115.49 3kyc s SER 71 Ca 0.61 2.11 -0.18 0.00 0.70 0.00 0.00 55.95 59.19 3kyc s SER 71 Cb -0.08 -2.59 -0.01 0.00 -1.71 0.00 0.00 66.02 61.62 3kyc s SER 71 CO 0.41 -0.41 1.77 0.11 1.20 0.00 0.00 173.24 176.32 3kyc h LYS 72 N 6.05 0.29 -0.35 5.44 1.57 -0.91 -2.20 116.57 126.46 3kyc h LYS 72 Ca -0.43 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.36 3kyc h LYS 72 Cb 1.21 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.43 3kyc h LYS 72 CO 0.78 0.19 0.17 0.00 -0.57 0.00 0.00 179.45 180.02 3kyc h ALA 73 N 1.14 0.42 0.43 3.86 0.00 -1.84 -1.91 119.26 121.37 3kyc h ALA 73 Ca 0.11 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3kyc h ALA 73 Cb 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3kyc h ALA 73 CO -0.07 -0.20 -0.21 0.37 0.00 0.00 0.00 179.25 179.14 3kyc h GLN 74 N 0.35 -0.56 -1.05 0.00 5.75 -1.82 -2.32 115.11 115.46 3kyc h GLN 74 Ca 0.15 0.04 0.28 0.00 -0.15 0.00 0.00 58.65 58.97 3kyc h GLN 74 Cb 0.06 0.13 -0.08 0.00 1.07 0.00 0.00 27.48 28.66 3kyc h GLN 74 CO -0.10 -0.27 0.71 0.28 -2.65 0.00 0.00 178.83 176.79 3kyc h VAL 75 N -1.04 0.51 -0.57 2.39 2.07 -1.51 0.14 116.25 118.24 3kyc h VAL 75 Ca -0.06 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 3kyc h VAL 75 Cb 0.55 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3kyc h VAL 75 CO 0.10 0.05 0.09 0.00 0.02 0.00 0.00 177.57 177.82 3kyc h ALA 76 N 1.56 0.76 0.17 1.67 0.00 -0.98 -1.46 119.26 120.98 3kyc h ALA 76 Ca 0.56 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 3kyc h ALA 76 Cb 1.69 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3kyc h ALA 76 CO -0.19 0.51 -0.08 -0.22 0.00 0.00 0.00 179.25 179.27 3kyc h LYS 77 N 0.84 -0.22 -0.97 0.00 3.64 -0.50 -2.43 116.57 116.93 3kyc h LYS 77 Ca 0.17 0.02 0.24 0.00 -1.27 0.00 0.00 60.65 59.80 3kyc h LYS 77 Cb 0.42 0.05 -0.18 0.00 -0.41 0.00 0.00 32.23 32.11 3kyc h LYS 77 CO 0.01 0.14 -0.08 0.93 -2.27 0.00 0.00 179.45 178.18 3kyc h GLU 78 N -0.62 0.01 -0.19 1.90 5.08 -1.02 -1.31 114.58 118.43 3kyc h GLU 78 Ca -0.02 -0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.13 3kyc h GLU 78 Cb 0.46 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3kyc h GLU 78 CO 0.04 0.01 -0.69 0.77 -1.00 0.00 0.00 179.01 178.14 3kyc h SER 79 N 0.01 0.88 -0.56 1.42 0.02 -1.03 -2.31 113.55 111.98 3kyc h SER 79 Ca 0.54 -0.53 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3kyc h SER 79 Cb 1.00 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.26 3kyc h SER 79 CO -0.94 1.32 0.26 0.58 -1.14 0.00 0.00 176.83 176.92 3kyc h VAL 80 N 0.54 1.21 -0.41 2.27 2.07 -1.01 -3.08 116.25 117.84 3kyc h VAL 80 Ca -0.03 -0.60 0.04 0.00 0.82 0.00 0.00 66.70 66.94 3kyc h VAL 80 Cb 1.30 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 3kyc h VAL 80 CO 0.14 0.24 0.19 -0.07 0.02 0.00 0.00 177.57 178.09 3kyc h LEU 81 N 0.76 0.27 -0.91 2.57 4.07 -0.98 0.28 115.31 121.35 3kyc h LEU 81 Ca 0.19 0.03 0.16 0.00 0.08 0.00 0.00 57.88 58.34 3kyc h LEU 81 Cb 0.13 -0.02 -0.10 0.00 1.08 0.00 0.00 40.66 41.75 3kyc h LEU 81 CO -0.02 0.19 0.51 1.56 -1.08 0.00 0.00 178.44 179.60 3kyc h GLN 82 N 0.39 0.69 0.00 1.13 4.20 -1.33 -1.02 115.11 119.17 3kyc h GLN 82 Ca 0.18 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3kyc h GLN 82 Cb 0.11 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.73 3kyc h GLN 82 CO -0.14 0.45 -0.55 0.27 -0.67 0.00 0.00 178.83 178.20 3kyc h PHE 83 N 0.71 0.00 -1.16 2.96 -5.15 -1.04 -3.42 116.94 109.84 3kyc h PHE 83 Ca 0.50 0.00 -0.28 0.00 -0.20 0.00 0.00 57.97 57.99 3kyc h PHE 83 Cb 0.71 0.00 -0.22 0.00 0.22 0.00 0.00 35.95 36.66 3kyc h PHE 83 CO -0.06 0.00 -0.63 0.98 -2.00 0.00 0.00 178.31 176.60 3kyc n TYR 84 N -2.81 -2.93 1.03 6.09 9.36 0.78 -4.99 117.16 123.68 3kyc n TYR 84 Ca 0.02 -1.98 0.11 0.00 3.32 0.00 0.00 57.90 59.37 3kyc n TYR 84 Cb 0.53 1.13 0.56 0.00 -0.63 0.00 0.00 39.34 40.93 3kyc n TYR 84 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3kyc n PRO 85 N 2.57 0.28 0.21 2.98 -0.05 -0.50 -2.23 135.00 138.27 3kyc n PRO 85 Ca 0.19 0.08 -0.16 0.00 -0.05 0.00 0.00 63.50 63.56 3kyc n PRO 85 Cb 0.55 -1.50 -0.08 0.00 -0.05 0.00 0.00 33.50 32.42 3kyc n PRO 85 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 175.50 175.23 3kyc h LYS 86 N 0.00 -0.76 -6.03 0.54 1.63 -1.94 -3.46 116.57 106.54 3kyc h LYS 86 Ca 0.00 0.05 -0.68 0.00 -0.85 0.00 0.00 60.65 59.17 3kyc h LYS 86 Cb 0.24 0.17 0.10 0.00 -0.60 0.00 0.00 32.23 32.14 3kyc h LYS 86 CO 0.00 -0.51 -0.42 0.00 -3.45 0.00 0.00 179.45 175.07 3kyc n ALA 87 N -2.75 -2.78 -2.58 5.00 0.00 -0.95 -4.97 120.51 111.48 3kyc n ALA 87 Ca -0.10 0.45 -0.40 0.00 0.00 0.00 0.00 53.44 53.40 3kyc n ALA 87 Cb 0.40 -1.66 -0.09 0.00 0.00 0.00 0.00 19.45 18.11 3kyc n ALA 87 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3kyc s ASN 88 N -0.85 6.28 -0.08 0.00 0.01 -0.05 -5.02 114.94 115.22 3kyc s ASN 88 Ca 0.67 0.15 -0.02 0.00 -0.71 0.00 0.00 52.86 52.95 3kyc s ASN 88 Cb -0.95 -2.23 0.03 0.00 0.41 0.00 0.00 41.25 38.51 3kyc s ASN 88 CO 0.56 -0.29 0.02 -0.63 -1.51 0.00 0.00 177.10 175.25 3kyc s ILE 89 N 2.17 0.28 -0.17 0.60 1.01 -1.25 -1.31 121.20 122.52 3kyc s ILE 89 Ca 0.16 0.11 -0.15 0.00 0.00 0.00 0.00 60.65 60.76 3kyc s ILE 89 Cb -0.16 -0.51 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 3kyc s ILE 89 CO 0.11 0.18 0.37 -0.69 0.00 0.00 0.00 174.94 174.91 3kyc s VAL 90 N 2.01 5.24 -0.30 2.92 1.01 -0.53 -5.01 120.40 125.74 3kyc s VAL 90 Ca 0.04 0.69 0.03 0.00 0.00 0.00 0.00 61.98 62.75 3kyc s VAL 90 Cb -0.13 -3.71 0.08 0.00 0.00 0.00 0.00 36.38 32.63 3kyc s VAL 90 CO -0.05 0.33 -0.02 0.00 0.00 0.00 0.00 175.10 175.35 3kyc s ALA 91 N 0.79 2.71 -0.13 5.51 0.00 -1.26 -0.47 121.76 128.90 3kyc s ALA 91 Ca 0.19 -2.15 -0.14 0.00 0.00 0.00 0.00 51.96 49.86 3kyc s ALA 91 Cb -0.14 -1.78 -0.05 0.00 0.00 0.00 0.00 23.12 21.15 3kyc s ALA 91 CO 0.07 -1.46 0.32 0.71 0.00 0.00 0.00 175.76 175.40 3kyc s TYR 92 N 1.01 3.52 -0.51 0.00 1.51 0.39 -4.80 117.35 118.46 3kyc s TYR 92 Ca 0.02 0.68 -0.04 0.00 -1.01 0.00 0.00 57.07 56.71 3kyc s TYR 92 Cb -0.19 -2.33 0.13 0.00 -0.11 0.00 0.00 41.96 39.46 3kyc s TYR 92 CO -0.07 0.33 0.33 -1.58 -1.11 0.00 0.00 175.55 173.45 3kyc s HIS 93 N 0.15 3.50 0.00 2.71 5.65 -1.26 -2.41 115.29 123.63 3kyc s HIS 93 Ca 0.18 -2.44 0.00 0.00 0.25 0.00 0.00 55.06 53.06 3kyc s HIS 93 Cb -0.14 -3.28 0.00 0.00 -1.18 0.00 0.00 32.58 27.99 3kyc s HIS 93 CO 0.06 -0.93 0.00 -3.47 -0.65 0.00 0.00 174.74 169.75 3kyc n ASP 94 N 4.20 0.00 -4.76 9.88 2.03 -0.01 -4.89 116.55 122.99 3kyc n ASP 94 Ca 0.01 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.92 3kyc n ASP 94 Cb 0.40 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.75 3kyc n ASP 94 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3kyc s SER 95 N 0.00 7.33 0.00 1.67 0.15 -1.26 -2.64 113.70 118.95 3kyc s SER 95 Ca 0.00 1.58 0.07 0.00 0.70 0.00 0.00 55.95 58.30 3kyc s SER 95 Cb 0.00 -2.50 0.32 0.00 -1.71 0.00 0.00 66.02 62.13 3kyc s SER 95 CO 0.00 0.09 1.14 2.30 1.20 0.00 0.00 173.24 177.97 3kyc n ILE 96 N 2.27 1.19 0.33 6.45 -6.64 -1.26 -1.15 119.36 120.56 3kyc n ILE 96 Ca -0.03 0.30 0.13 0.00 -1.77 0.00 0.00 62.75 61.37 3kyc n ILE 96 Cb 0.49 -1.18 0.28 0.00 -1.44 0.00 0.00 39.64 37.79 3kyc n ILE 96 CO 0.00 0.00 0.00 0.24 -1.77 0.00 0.00 176.55 175.02 3kyc h MET 97 N 0.00 0.00 -6.23 6.28 2.86 -1.96 -3.43 114.93 112.45 3kyc h MET 97 Ca 0.00 0.00 -0.70 0.00 -2.06 0.00 0.00 59.70 56.94 3kyc h MET 97 Cb 0.09 0.00 0.04 0.00 0.06 0.00 0.00 31.60 31.79 3kyc h MET 97 CO 0.00 0.00 0.54 -1.71 1.06 0.00 0.00 176.91 176.80 3kyc n ASN 98 N -2.87 1.75 0.22 1.22 2.85 -0.30 -4.83 115.26 113.29 3kyc n ASN 98 Ca 0.04 1.11 0.14 0.00 -0.11 0.00 0.00 54.58 55.77 3kyc n ASN 98 Cb 0.48 -1.16 0.57 0.00 1.24 0.00 0.00 39.78 40.91 3kyc n ASN 98 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3kyc h PRO 99 N 5.12 0.00 0.00 1.20 0.11 -1.89 0.14 132.00 136.68 3kyc h PRO 99 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kyc h PRO 99 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3kyc h PRO 99 CO 0.82 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.36 3kyc n ASP 100 N -3.02 0.00 -3.65 -2.05 8.00 -1.26 -3.75 116.55 110.82 3kyc n ASP 100 Ca 0.03 -0.04 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 3kyc n ASP 100 Cb 0.71 -0.27 0.02 0.00 -0.02 0.00 0.00 41.12 41.56 3kyc n ASP 100 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3kyc n TYR 101 N -1.27 2.76 -1.60 1.24 4.02 0.48 -4.88 117.16 117.92 3kyc n TYR 101 Ca 0.10 -2.61 -0.30 0.00 -0.01 0.00 0.00 57.90 55.07 3kyc n TYR 101 Cb 0.15 -1.18 0.23 0.00 -0.02 0.00 0.00 39.34 38.52 3kyc n TYR 101 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 3kyc n ASN 102 N 0.07 -0.76 -0.28 7.72 0.23 -1.25 -4.72 115.26 116.28 3kyc n ASN 102 Ca 0.44 -1.37 0.07 0.00 -0.53 0.00 0.00 54.58 53.20 3kyc n ASN 102 Cb 0.27 -1.03 0.22 0.00 -2.08 0.00 0.00 39.78 37.16 3kyc n ASN 102 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 3kyc h VAL 103 N -2.16 0.66 -0.15 3.53 2.07 -1.92 -1.57 116.25 116.71 3kyc h VAL 103 Ca -0.43 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 66.94 3kyc h VAL 103 Cb 1.23 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3kyc h VAL 103 CO 0.29 0.09 0.00 -0.33 0.02 0.00 0.00 177.57 177.65 3kyc h GLU 104 N 0.51 0.06 0.18 1.57 4.39 -1.97 -0.22 114.58 119.09 3kyc h GLU 104 Ca 0.45 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 60.17 3kyc h GLU 104 Cb 0.70 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.29 3kyc h GLU 104 CO -0.40 0.04 -0.41 0.35 -1.16 0.00 0.00 179.01 177.42 3kyc h PHE 105 N 0.06 -1.14 -0.27 4.33 3.57 -1.63 -0.40 116.94 121.46 3kyc h PHE 105 Ca 0.07 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.67 3kyc h PHE 105 Cb 0.08 0.48 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 3kyc h PHE 105 CO -0.15 -0.52 0.30 0.74 -2.23 0.00 0.00 178.31 176.45 3kyc h PHE 106 N -0.68 0.00 0.00 0.41 -1.00 -0.83 -1.87 116.94 112.97 3kyc h PHE 106 Ca 0.01 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 3kyc h PHE 106 Cb 0.69 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.24 3kyc h PHE 106 CO -0.33 0.00 -0.04 0.00 -1.61 0.00 0.00 178.31 176.33 3kyc h ARG 107 N 0.00 0.00 -0.29 1.51 3.08 0.73 -2.79 114.38 116.62 3kyc h ARG 107 Ca 0.13 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.10 3kyc h ARG 107 Cb 0.73 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 3kyc h ARG 107 CO -0.00 0.04 -0.16 -0.56 -1.07 0.00 0.00 179.97 178.21 3kyc h GLN 108 N 0.00 0.50 -7.08 0.04 3.07 -1.36 -3.45 115.11 106.83 3kyc h GLN 108 Ca -0.00 -0.16 -0.46 0.00 0.09 0.00 0.00 58.65 58.12 3kyc h GLN 108 Cb 0.39 -0.05 0.02 0.00 0.08 0.00 0.00 27.48 27.92 3kyc h GLN 108 CO 0.00 0.65 0.38 -0.06 0.09 0.00 0.00 178.83 179.89 3kyc s PHE 109 N -4.67 3.07 -0.17 0.06 0.40 -1.05 -4.53 117.98 111.09 3kyc s PHE 109 Ca -0.07 1.58 0.21 0.00 -0.60 0.00 0.00 56.93 58.04 3kyc s PHE 109 Cb 0.14 -3.01 -0.11 0.00 0.51 0.00 0.00 43.02 40.56 3kyc s PHE 109 CO 0.78 -0.68 0.85 0.44 0.70 0.00 0.00 175.22 177.31 3kyc n ILE 110 N -0.96 0.69 -3.75 0.64 -5.35 0.30 -4.93 119.36 106.01 3kyc n ILE 110 Ca 0.09 -0.59 -0.13 0.00 -0.27 0.00 0.00 62.75 61.85 3kyc n ILE 110 Cb 0.53 -0.39 -0.11 0.00 -1.74 0.00 0.00 39.64 37.93 3kyc n ILE 110 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 3kyc s LEU 111 N -5.33 0.58 -0.11 7.28 2.96 -1.25 -4.43 118.68 118.39 3kyc s LEU 111 Ca -0.03 0.72 0.01 0.00 -0.22 0.00 0.00 54.13 54.61 3kyc s LEU 111 Cb 0.10 1.20 -0.02 0.00 0.50 0.00 0.00 46.19 47.97 3kyc s LEU 111 CO 0.82 -0.13 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.89 3kyc s VAL 112 N 0.34 3.03 -0.20 1.68 1.01 -0.92 -1.33 120.40 124.00 3kyc s VAL 112 Ca -0.01 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 3kyc s VAL 112 Cb -0.03 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 34.11 3kyc s VAL 112 CO -0.01 0.54 -0.14 -0.04 0.00 0.00 0.00 175.10 175.45 3kyc s MET 113 N 0.06 3.08 0.24 2.72 -1.94 0.15 -1.45 119.30 122.16 3kyc s MET 113 Ca -0.05 -0.79 -0.30 0.00 -1.71 0.00 0.00 55.69 52.84 3kyc s MET 113 Cb -0.15 -2.73 -0.09 0.00 2.01 0.00 0.00 34.83 33.88 3kyc s MET 113 CO 0.04 -0.22 1.22 -0.80 -0.01 0.00 0.00 175.02 175.25 3kyc s ASN 114 N 1.34 7.02 -0.32 3.03 0.01 -0.53 -1.31 114.94 124.19 3kyc s ASN 114 Ca 0.05 2.38 0.18 0.00 -0.71 0.00 0.00 52.86 54.75 3kyc s ASN 114 Cb -0.14 -2.62 0.47 0.00 0.41 0.00 0.00 41.25 39.37 3kyc s ASN 114 CO -0.10 -0.39 1.01 0.00 -1.51 0.00 0.00 177.10 176.12 3kyc n ALA 115 N 1.84 3.44 -2.02 0.60 0.00 0.11 -4.43 120.51 120.04 3kyc n ALA 115 Ca 0.02 -3.18 -0.19 0.00 0.00 0.00 0.00 53.44 50.10 3kyc n ALA 115 Cb 0.44 -0.86 0.04 0.00 0.00 0.00 0.00 19.45 19.06 3kyc n ALA 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kyc s LEU 116 N -3.35 3.36 -0.07 0.00 1.43 -1.24 -4.36 118.68 114.45 3kyc s LEU 116 Ca 0.30 -0.59 0.12 0.00 -1.03 0.00 0.00 54.13 52.93 3kyc s LEU 116 Cb 0.42 -2.18 0.23 0.00 0.03 0.00 0.00 46.19 44.69 3kyc s LEU 116 CO -0.00 -1.10 1.11 -0.90 0.23 0.00 0.00 176.35 175.69 3kyc n ASP 117 N -2.10 1.13 -3.66 2.29 3.85 -1.26 -4.91 116.55 111.89 3kyc n ASP 117 Ca 0.12 -2.60 -0.10 0.00 -0.71 0.00 0.00 54.79 51.49 3kyc n ASP 117 Cb 0.60 -0.34 -0.05 0.00 -1.35 0.00 0.00 41.12 39.99 3kyc n ASP 117 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3kyc s ASN 118 N -2.07 -0.19 0.23 -1.12 2.20 -1.26 -5.06 114.94 107.66 3kyc s ASN 118 Ca 0.21 -0.36 0.17 0.00 -0.94 0.00 0.00 52.86 51.94 3kyc s ASN 118 Cb 0.21 0.46 0.03 0.00 -2.00 0.00 0.00 41.25 39.95 3kyc s ASN 118 CO -0.03 -0.84 1.25 0.03 -2.94 0.00 0.00 177.10 174.56 3kyc h ARG 119 N 2.40 0.00 -0.17 3.55 3.08 -1.99 -3.25 114.38 118.01 3kyc h ARG 119 Ca -0.34 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.66 3kyc h ARG 119 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.30 3kyc h ARG 119 CO 0.48 0.33 -0.08 0.00 -1.07 0.00 0.00 179.97 179.62 3kyc h ALA 120 N 1.59 0.24 -0.27 0.04 0.00 -1.99 0.12 119.26 118.99 3kyc h ALA 120 Ca -0.05 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 3kyc h ALA 120 Cb 1.35 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3kyc h ALA 120 CO 0.04 0.04 -0.34 0.00 0.00 0.00 0.00 179.25 179.00 3kyc h ALA 121 N 0.68 0.90 -0.12 0.00 0.00 -1.99 -1.45 119.26 117.28 3kyc h ALA 121 Ca 0.04 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 3kyc h ALA 121 Cb 0.55 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3kyc h ALA 121 CO 0.02 0.63 -0.39 0.00 0.00 0.00 0.00 179.25 179.51 3kyc h ARG 122 N 0.50 0.27 -0.13 0.00 3.08 -1.52 0.16 114.38 116.73 3kyc h ARG 122 Ca 0.05 -0.12 -0.13 0.00 0.07 0.00 0.00 59.98 59.85 3kyc h ARG 122 Cb 0.83 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 3kyc h ARG 122 CO 0.07 0.62 -0.48 -0.91 -1.07 0.00 0.00 179.97 178.20 3kyc h ASN 123 N 0.23 0.36 0.49 7.04 -0.26 -0.03 0.09 115.58 123.49 3kyc h ASN 123 Ca 0.02 -0.17 -0.02 0.00 -0.56 0.00 0.00 56.30 55.57 3kyc h ASN 123 Cb 0.79 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.96 3kyc h ASN 123 CO 0.06 0.79 -0.23 -0.74 -1.06 0.00 0.00 177.43 176.24 3kyc h HIS 124 N 0.26 -0.61 -0.64 1.19 2.76 -0.93 -2.91 115.15 114.26 3kyc h HIS 124 Ca 0.01 -0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.26 3kyc h HIS 124 Cb 0.95 0.20 -0.07 0.00 1.55 0.00 0.00 27.41 30.04 3kyc h HIS 124 CO 0.02 -0.29 0.28 0.28 -1.30 0.00 0.00 177.93 176.93 3kyc h VAL 125 N -1.01 0.82 -0.94 5.26 2.07 -0.94 0.17 116.25 121.69 3kyc h VAL 125 Ca -0.07 -0.17 0.25 0.00 0.82 0.00 0.00 66.70 67.53 3kyc h VAL 125 Cb 0.59 0.28 -0.13 0.00 -1.52 0.00 0.00 31.29 30.51 3kyc h VAL 125 CO 0.11 0.09 0.44 -1.13 0.02 0.00 0.00 177.57 177.10 3kyc h ASN 126 N 0.50 0.37 0.07 0.57 -1.24 -1.01 -1.85 115.58 112.97 3kyc h ASN 126 Ca 0.32 0.17 -0.22 0.00 0.71 0.00 0.00 56.30 57.28 3kyc h ASN 126 Cb 0.36 0.14 0.02 0.00 0.73 0.00 0.00 38.32 39.57 3kyc h ASN 126 CO -0.28 -0.04 -0.91 0.03 -1.29 0.00 0.00 177.43 174.94 3kyc h ARG 127 N 0.38 0.50 -0.97 6.67 3.08 -0.53 -2.82 114.38 120.68 3kyc h ARG 127 Ca 0.61 -0.62 0.13 0.00 0.07 0.00 0.00 59.98 60.17 3kyc h ARG 127 Cb 1.24 0.20 -0.08 0.00 0.08 0.00 0.00 29.97 31.41 3kyc h ARG 127 CO -0.56 1.25 0.61 0.52 -1.07 0.00 0.00 179.97 180.72 3kyc h MET 128 N 0.03 0.86 0.00 0.04 2.86 -0.62 -1.46 114.93 116.63 3kyc h MET 128 Ca -0.13 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 3kyc h MET 128 Cb 1.62 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 33.09 3kyc h MET 128 CO 0.18 0.57 0.00 0.00 1.06 0.00 0.00 176.91 178.71 3kyc h LEU 130 N 0.00 0.87 -0.51 0.00 3.38 -1.17 -1.61 115.31 116.27 3kyc h LEU 130 Ca 0.00 -0.84 -0.17 0.00 0.09 0.00 0.00 57.88 56.97 3kyc h LEU 130 Cb 0.87 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3kyc h LEU 130 CO 0.00 1.64 -0.66 0.00 0.09 0.00 0.00 178.44 179.51 3kyc h ALA 131 N 0.26 0.70 -0.02 1.53 0.00 -1.07 -2.85 119.26 117.81 3kyc h ALA 131 Ca -0.21 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.13 3kyc h ALA 131 Cb 1.99 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.70 3kyc h ALA 131 CO 0.25 0.74 -0.02 0.00 0.00 0.00 0.00 179.25 180.22 3kyc n ALA 132 N -2.50 2.57 -3.42 0.00 0.00 0.80 -4.99 120.51 112.97 3kyc n ALA 132 Ca -0.03 -0.55 -0.27 0.00 0.00 0.00 0.00 53.44 52.59 3kyc n ALA 132 Cb 0.66 -1.01 0.02 0.00 0.00 0.00 0.00 19.45 19.12 3kyc n ALA 132 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3kyc n ASP 133 N 0.61 -5.98 -3.75 0.00 -0.08 -0.87 -4.74 116.55 101.74 3kyc n ASP 133 Ca 0.17 -0.22 -0.13 0.00 -1.51 0.00 0.00 54.79 53.10 3kyc n ASP 133 Cb 0.45 -2.64 -0.13 0.00 2.34 0.00 0.00 41.12 41.14 3kyc n ASP 133 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3kyc s VAL 134 N -2.16 -0.04 0.53 5.18 1.01 -0.66 -5.04 120.40 119.22 3kyc s VAL 134 Ca 0.24 0.14 -0.22 0.00 0.00 0.00 0.00 61.98 62.14 3kyc s VAL 134 Cb -0.03 -0.30 -0.05 0.00 0.00 0.00 0.00 36.38 35.99 3kyc s VAL 134 CO 0.85 0.06 1.30 -2.16 0.00 0.00 0.00 175.10 175.15 3kyc s PRO 135 N 1.04 3.28 -0.02 2.72 0.04 -1.26 -4.68 135.00 136.12 3kyc s PRO 135 Ca -0.08 2.09 0.04 0.00 0.04 0.00 0.00 61.00 63.09 3kyc s PRO 135 Cb -0.09 -2.27 -0.01 0.00 0.04 0.00 0.00 34.50 32.17 3kyc s PRO 135 CO -0.06 -1.03 -0.14 -1.17 0.04 0.00 0.00 177.00 174.64 3kyc s LEU 136 N -3.44 1.96 -0.21 -3.56 2.96 -0.89 -2.18 118.68 113.33 3kyc s LEU 136 Ca 0.70 -0.26 -0.07 0.00 -0.22 0.00 0.00 54.13 54.27 3kyc s LEU 136 Cb -0.37 -0.75 -0.04 0.00 0.50 0.00 0.00 46.19 45.54 3kyc s LEU 136 CO 0.43 0.15 0.07 -0.63 -1.32 0.00 0.00 176.35 175.05 3kyc s ILE 137 N -0.17 4.61 0.09 6.68 1.01 -0.53 -0.67 121.20 132.22 3kyc s ILE 137 Ca 0.02 -0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.63 3kyc s ILE 137 Cb -0.07 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 3kyc s ILE 137 CO 0.00 0.40 0.05 -0.70 0.00 0.00 0.00 174.94 174.69 3kyc s GLU 138 N 0.92 2.73 0.29 2.79 2.56 0.14 -1.45 118.70 126.68 3kyc s GLU 138 Ca 0.04 -0.78 -0.20 0.00 0.00 0.00 0.00 54.97 54.03 3kyc s GLU 138 Cb -0.14 -2.64 0.02 0.00 2.00 0.00 0.00 34.13 33.38 3kyc s GLU 138 CO 0.03 0.55 0.71 -1.54 -0.56 0.00 0.00 175.26 174.44 3kyc s SER 139 N -2.43 -0.22 -0.17 -1.70 1.04 -1.26 -1.21 113.70 107.74 3kyc s SER 139 Ca 0.28 -0.67 -0.30 0.00 0.48 0.00 0.00 55.95 55.74 3kyc s SER 139 Cb -0.12 0.73 0.12 0.00 0.10 0.00 0.00 66.02 66.85 3kyc s SER 139 CO 0.21 -1.36 0.99 -0.83 0.98 0.00 0.00 173.24 173.23 3kyc s GLY 140 N -2.94 -0.26 0.13 7.32 0.00 -0.55 -4.77 107.32 106.24 3kyc s GLY 140 Ca 0.12 2.09 0.03 0.00 0.00 0.00 0.00 44.72 46.96 3kyc s GLY 140 CO 0.08 1.13 -0.09 -0.51 0.00 0.00 0.00 173.10 173.71 3kyc s THR 141 N -0.94 0.99 -0.29 0.90 -4.23 -1.26 -1.69 115.64 109.11 3kyc s THR 141 Ca -0.01 -1.99 -0.13 0.00 -1.18 0.00 0.00 61.69 58.37 3kyc s THR 141 Cb -0.01 -1.76 0.12 0.00 1.34 0.00 0.00 72.50 72.19 3kyc s THR 141 CO 0.01 -0.78 0.74 0.00 -0.54 0.00 0.00 174.62 174.05 3kyc s ALA 142 N -3.37 -2.09 0.00 3.99 0.00 -0.02 -4.97 121.76 115.30 3kyc s ALA 142 Ca 0.14 2.33 0.00 0.00 0.00 0.00 0.00 51.96 54.43 3kyc s ALA 142 Cb 0.03 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.47 3kyc s ALA 142 CO -0.01 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 175.49 3kyc n GLY 143 N 4.78 3.91 0.26 0.00 0.00 0.49 -0.13 105.19 114.51 3kyc n GLY 143 Ca -0.15 0.07 0.15 0.00 0.00 0.00 0.00 46.02 46.08 3kyc n GLY 143 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kyc n TYR 144 N 14.00 0.00 -4.29 1.61 4.02 -1.26 -4.51 117.16 126.73 3kyc n TYR 144 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.66 3kyc n TYR 144 Cb 0.00 -0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.24 3kyc n TYR 144 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3kyc s LEU 145 N -2.00 3.12 0.00 7.72 1.43 0.81 -4.58 118.68 125.19 3kyc s LEU 145 Ca 0.42 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 3kyc s LEU 145 Cb 0.21 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.82 3kyc s LEU 145 CO 0.35 -0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.46 3kyc n GLY 146 N -0.92 -1.34 3.39 -3.19 0.00 -1.24 -0.84 105.19 101.05 3kyc n GLY 146 Ca -0.05 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 3kyc n GLY 146 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kyc s GLN 147 N -1.22 1.18 0.02 1.61 0.00 -0.68 -0.73 119.66 119.84 3kyc s GLN 147 Ca 0.00 -0.83 0.03 0.00 -0.00 0.00 0.00 55.36 54.56 3kyc s GLN 147 Cb 0.00 0.47 -0.02 0.00 0.00 0.00 0.00 33.01 33.47 3kyc s GLN 147 CO 0.00 -0.47 -0.09 0.08 0.00 0.00 0.00 175.29 174.81 3kyc s VAL 148 N -3.85 0.67 0.16 3.63 1.01 -0.66 -1.49 120.40 119.86 3kyc s VAL 148 Ca 0.07 -0.75 -0.16 0.00 0.00 0.00 0.00 61.98 61.14 3kyc s VAL 148 Cb 0.01 -0.63 0.03 0.00 0.00 0.00 0.00 36.38 35.79 3kyc s VAL 148 CO -0.07 -0.08 0.45 0.28 0.00 0.00 0.00 175.10 175.67 3kyc s THR 149 N -0.77 0.05 -0.05 3.92 -1.32 -0.35 -0.85 115.64 116.26 3kyc s THR 149 Ca -0.02 -0.69 -0.01 0.00 -1.21 0.00 0.00 61.69 59.77 3kyc s THR 149 Cb -0.07 -1.37 -0.03 0.00 -1.51 0.00 0.00 72.50 69.52 3kyc s THR 149 CO 0.00 -0.22 0.00 -0.89 -2.21 0.00 0.00 174.62 171.31 3kyc s THR 150 N -3.84 4.27 -0.09 5.08 2.01 -1.26 -0.68 115.64 121.12 3kyc s THR 150 Ca 0.06 -0.38 0.02 0.00 0.31 0.00 0.00 61.69 61.70 3kyc s THR 150 Cb 0.01 -2.84 0.01 0.00 0.01 0.00 0.00 72.50 69.69 3kyc s THR 150 CO -0.08 0.51 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.58 3kyc s ILE 151 N -0.97 1.48 -0.17 1.82 1.01 0.15 -4.91 121.20 119.61 3kyc s ILE 151 Ca 0.16 -0.66 -0.04 0.00 0.00 0.00 0.00 60.65 60.11 3kyc s ILE 151 Cb -0.11 -1.33 0.07 0.00 0.01 0.00 0.00 42.46 41.10 3kyc s ILE 151 CO 0.06 0.43 0.14 -0.75 0.00 0.00 0.00 174.94 174.82 3kyc s LYS 152 N 0.73 0.10 -0.21 2.79 2.47 -1.26 -2.09 119.74 122.27 3kyc s LYS 152 Ca -0.12 0.11 -0.40 0.00 -1.56 0.00 0.00 55.97 54.00 3kyc s LYS 152 Cb -0.16 -1.39 -0.16 0.00 -1.46 0.00 0.00 37.83 34.67 3kyc s LYS 152 CO 0.03 -0.61 1.66 1.17 0.16 0.00 0.00 175.35 177.76 3kyc n LYS 153 N 5.30 1.14 0.00 4.03 4.81 -1.26 0.05 118.16 132.23 3kyc n LYS 153 Ca -0.06 0.42 0.00 0.00 -0.87 0.00 0.00 58.31 57.80 3kyc n LYS 153 Cb 0.49 -2.09 0.00 0.00 0.02 0.00 0.00 35.03 33.45 3kyc n LYS 153 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kyc n GLY 154 N 3.85 3.31 0.40 3.14 0.00 -1.26 -4.85 105.19 109.79 3kyc n GLY 154 Ca 0.25 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.11 3kyc n GLY 154 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kyc n VAL 155 N -1.83 1.17 -4.17 1.61 0.31 0.11 -4.91 118.33 110.62 3kyc n VAL 155 Ca 0.00 -0.11 -0.24 0.00 -0.01 0.00 0.00 64.34 63.98 3kyc n VAL 155 Cb 0.00 -1.87 -0.07 0.00 -0.91 0.00 0.00 33.84 30.98 3kyc n VAL 155 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3kyc s THR 156 N -2.44 2.59 0.81 2.52 -4.23 -0.71 -4.37 115.64 109.81 3kyc s THR 156 Ca -0.25 -1.76 -0.12 0.00 -1.18 0.00 0.00 61.69 58.38 3kyc s THR 156 Cb 0.08 -2.94 0.09 0.00 1.34 0.00 0.00 72.50 71.06 3kyc s THR 156 CO 0.32 -0.10 1.17 -1.83 -0.54 0.00 0.00 174.62 173.64 3kyc s GLU 157 N -3.84 1.68 0.62 3.99 -1.05 -0.12 -3.71 118.70 116.27 3kyc s GLU 157 Ca 0.39 1.59 0.01 0.00 -0.15 0.00 0.00 54.97 56.81 3kyc s GLU 157 Cb 0.01 -1.80 0.08 0.00 -0.44 0.00 0.00 34.13 31.98 3kyc s GLU 157 CO 0.22 -2.15 0.87 0.00 0.95 0.00 0.00 175.26 175.14 3kyc h TYR 159 N -0.17 0.00 -0.04 0.00 3.20 -1.94 -2.22 116.97 115.80 3kyc h TYR 159 Ca -0.39 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.48 3kyc h TYR 159 Cb 1.28 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.55 3kyc h TYR 159 CO 0.14 0.00 0.00 0.39 -1.64 0.00 0.00 178.16 177.05 3kyc n GLU 160 N -3.64 2.96 0.07 1.82 1.02 -1.26 -4.50 120.64 117.12 3kyc n GLU 160 Ca 0.06 -1.58 0.13 0.00 -0.02 0.00 0.00 57.16 55.75 3kyc n GLU 160 Cb 0.56 -1.04 0.62 0.00 -0.02 0.00 0.00 31.44 31.56 3kyc n GLU 160 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kyc s HIS 162 N -5.14 2.31 0.26 0.00 3.76 -1.26 -4.73 115.29 110.49 3kyc s HIS 162 Ca -0.06 -0.96 -0.30 0.00 -0.15 0.00 0.00 55.06 53.59 3kyc s HIS 162 Cb 0.19 -1.57 -0.13 0.00 1.11 0.00 0.00 32.58 32.17 3kyc s HIS 162 CO 0.71 -0.41 1.35 -0.35 -0.85 0.00 0.00 174.74 175.19 3kyc n PRO 163 N 3.65 1.97 -3.06 8.40 -0.04 -1.26 -4.99 135.00 139.66 3kyc n PRO 163 Ca -0.20 0.70 -0.19 0.00 -0.04 0.00 0.00 63.50 63.77 3kyc n PRO 163 Cb 0.53 -2.31 0.02 0.00 -0.04 0.00 0.00 33.50 31.69 3kyc n PRO 163 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 3kyc n LYS 164 N 1.63 0.80 -2.20 0.54 2.85 -1.26 -5.07 118.16 115.45 3kyc n LYS 164 Ca 0.10 -2.60 -0.39 0.00 -1.05 0.00 0.00 58.31 54.37 3kyc n LYS 164 Cb 0.32 0.13 -0.02 0.00 -0.65 0.00 0.00 35.03 34.81 3kyc n LYS 164 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 3kyc s PRO 165 N -3.85 4.14 0.37 -1.58 0.02 -1.26 -5.02 135.00 127.81 3kyc s PRO 165 Ca 0.32 2.01 -0.09 0.00 0.02 0.00 0.00 61.00 63.26 3kyc s PRO 165 Cb -0.03 -2.82 -0.06 0.00 0.02 0.00 0.00 34.50 31.61 3kyc s PRO 165 CO 0.20 -0.30 0.71 0.99 -0.33 0.00 0.00 177.00 178.27 3kyc s THR 166 N -1.29 4.85 0.28 0.99 2.01 -1.26 -5.06 115.64 116.16 3kyc s THR 166 Ca 0.54 0.47 -0.30 0.00 0.31 0.00 0.00 61.69 62.71 3kyc s THR 166 Cb -0.35 -3.73 -0.12 0.00 0.01 0.00 0.00 72.50 68.31 3kyc s THR 166 CO 0.45 -0.46 1.48 1.67 -0.69 0.00 0.00 174.62 177.06 3kyc n GLN 167 N -1.18 2.35 -1.88 4.92 7.27 -1.26 -4.92 117.38 122.68 3kyc n GLN 167 Ca 0.01 0.84 -0.42 0.00 0.07 0.00 0.00 57.00 57.50 3kyc n GLN 167 Cb 0.54 -2.54 -0.02 0.00 2.41 0.00 0.00 30.24 30.63 3kyc n GLN 167 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 3kyc s ARG 168 N -0.71 4.19 -0.03 3.69 3.52 -1.26 -5.01 118.95 123.34 3kyc s ARG 168 Ca 0.64 2.45 0.05 0.00 -0.13 0.00 0.00 55.73 58.74 3kyc s ARG 168 Cb -0.57 -3.08 -0.01 0.00 -1.56 0.00 0.00 34.95 29.74 3kyc s ARG 168 CO 0.51 -0.56 -0.19 -0.08 -0.81 0.00 0.00 175.30 174.17 3kyc s THR 169 N 0.26 1.54 -0.09 4.11 -1.32 -1.26 -5.13 115.64 113.75 3kyc s THR 169 Ca 0.64 -0.80 0.04 0.00 -1.21 0.00 0.00 61.69 60.36 3kyc s THR 169 Cb -0.45 -1.30 -0.01 0.00 -1.51 0.00 0.00 72.50 69.23 3kyc s THR 169 CO 0.42 0.44 -0.21 -0.36 -2.21 0.00 0.00 174.62 172.70 3kyc s PHE 170 N -0.17 2.59 0.05 9.09 0.40 -1.26 -5.09 117.98 123.59 3kyc s PHE 170 Ca 0.00 -0.75 -0.37 0.00 -0.60 0.00 0.00 56.93 55.21 3kyc s PHE 170 Cb -0.10 -1.70 -0.17 0.00 0.51 0.00 0.00 43.02 41.56 3kyc s PHE 170 CO 0.01 -0.24 1.35 -0.35 0.70 0.00 0.00 175.22 176.70 3kyc n PRO 171 N 3.20 1.06 -0.28 0.24 -0.04 -1.26 -4.88 135.00 133.04 3kyc n PRO 171 Ca -0.18 0.38 0.09 0.00 -0.04 0.00 0.00 63.50 63.75 3kyc n PRO 171 Cb 0.52 -2.02 0.24 0.00 -0.04 0.00 0.00 33.50 32.21 3kyc n PRO 171 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3kyc h GLY 172 N 4.64 1.24 1.92 0.55 0.00 -1.96 -1.32 103.07 108.15 3kyc h GLY 172 Ca -0.48 -0.07 -0.06 0.00 0.00 0.00 0.00 47.33 46.72 3kyc h GLY 172 CO 0.78 -0.26 -0.23 0.00 0.00 0.00 0.00 176.54 176.84 3kyc h THR 174 N 0.09 1.28 0.04 0.00 2.02 -1.54 -0.55 112.91 114.25 3kyc h THR 174 Ca 0.02 -1.37 -0.14 0.00 0.77 0.00 0.00 66.41 65.68 3kyc h THR 174 Cb 0.46 1.35 0.01 0.00 -1.74 0.00 0.00 68.15 68.23 3kyc h THR 174 CO 0.03 0.44 -0.58 0.40 0.37 0.00 0.00 175.52 176.18 3kyc h ILE 175 N 0.53 1.48 0.00 3.11 1.08 -1.02 -2.05 117.51 120.64 3kyc h ILE 175 Ca 0.07 -2.19 -0.13 0.00 -0.39 0.00 0.00 64.86 62.23 3kyc h ILE 175 Cb 0.75 2.81 -0.02 0.00 -3.07 0.00 0.00 36.82 37.29 3kyc h ILE 175 CO 0.06 0.62 -1.03 0.03 -0.69 0.00 0.00 178.15 177.15 3kyc h ARG 176 N -0.27 0.00 0.00 2.37 3.08 -1.08 -3.43 114.38 115.05 3kyc h ARG 176 Ca -0.08 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 3kyc h ARG 176 Cb 1.34 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.38 3kyc h ARG 176 CO 0.11 0.33 -0.95 0.09 -1.07 0.00 0.00 179.97 178.49 3kyc n ASN 177 N -2.99 0.56 -3.08 7.04 3.02 -0.25 -4.34 115.26 115.22 3kyc n ASN 177 Ca -0.04 0.08 -0.23 0.00 -0.03 0.00 0.00 54.58 54.36 3kyc n ASN 177 Cb 0.77 -0.20 -0.04 0.00 -0.61 0.00 0.00 39.78 39.70 3kyc n ASN 177 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3kyc n THR 178 N -3.31 1.53 -1.58 3.41 -2.24 -1.01 -5.04 114.28 106.03 3kyc n THR 178 Ca -0.07 -5.09 -0.35 0.00 -2.27 0.00 0.00 64.05 56.27 3kyc n THR 178 Cb 0.43 -0.96 0.08 0.00 -2.10 0.00 0.00 70.33 67.78 3kyc n THR 178 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3kyc s PRO 179 N -2.91 2.36 0.00 -0.78 0.04 -0.77 -4.73 135.00 128.21 3kyc s PRO 179 Ca 0.44 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.27 3kyc s PRO 179 Cb 0.30 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.98 3kyc s PRO 179 CO -0.11 -1.67 0.00 -1.13 0.04 0.00 0.00 177.00 174.13 3kyc n SER 180 N -2.42 0.00 -4.18 6.66 3.41 -1.26 -5.03 113.62 110.80 3kyc n SER 180 Ca 0.14 -0.38 -0.15 0.00 -0.26 0.00 0.00 58.87 58.22 3kyc n SER 180 Cb 0.50 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.34 3kyc n SER 180 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3kyc s GLU 181 N 0.00 0.86 0.43 4.33 0.41 -1.26 -5.06 118.70 118.42 3kyc s GLU 181 Ca 0.00 -1.14 0.14 0.00 -0.41 0.00 0.00 54.97 53.56 3kyc s GLU 181 Cb 0.00 -0.61 1.03 0.00 -1.78 0.00 0.00 34.13 32.77 3kyc s GLU 181 CO 0.00 0.10 1.95 -1.35 -0.49 0.00 0.00 175.26 175.48 3kyc h PRO 182 N 3.64 0.41 -0.84 0.39 0.11 -1.99 0.38 132.00 134.10 3kyc h PRO 182 Ca -0.38 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.77 3kyc h PRO 182 Cb 1.19 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.15 3kyc h PRO 182 CO 0.51 0.27 0.55 0.97 -0.21 0.00 0.00 178.00 180.09 3kyc h ILE 183 N 0.42 1.04 -0.02 4.15 6.09 -1.99 0.82 117.51 128.02 3kyc h ILE 183 Ca 0.32 -0.32 -0.03 0.00 -1.37 0.00 0.00 64.86 63.45 3kyc h ILE 183 Cb 0.66 0.04 -0.01 0.00 0.47 0.00 0.00 36.82 37.99 3kyc h ILE 183 CO -0.09 0.17 -0.15 0.45 -3.07 0.00 0.00 178.15 175.45 3kyc h HIS 184 N 0.92 0.03 0.16 2.19 3.86 -1.32 0.22 115.15 121.21 3kyc h HIS 184 Ca 0.36 -0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 59.27 3kyc h HIS 184 Cb 0.24 -0.01 0.01 0.00 1.06 0.00 0.00 27.41 28.71 3kyc h HIS 184 CO -0.00 0.19 -1.40 0.00 0.86 0.00 0.00 177.93 177.58 3kyc h ILE 186 N 0.09 1.28 -0.76 0.00 2.04 -0.87 -1.06 117.51 118.24 3kyc h ILE 186 Ca -0.20 -1.57 -0.05 0.00 1.00 0.00 0.00 64.86 64.04 3kyc h ILE 186 Cb 2.04 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 39.59 3kyc h ILE 186 CO 0.21 0.52 0.28 0.58 0.00 0.00 0.00 178.15 179.74 3kyc h VAL 187 N 0.64 1.26 -0.81 1.67 2.07 -0.60 -1.13 116.25 119.34 3kyc h VAL 187 Ca 0.04 -0.84 0.08 0.00 0.82 0.00 0.00 66.70 66.80 3kyc h VAL 187 Cb 0.99 0.38 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 3kyc h VAL 187 CO 0.09 0.34 0.48 -0.25 0.02 0.00 0.00 177.57 178.25 3kyc h TRP 188 N 1.11 0.88 -0.12 1.57 7.01 -1.04 -1.77 115.95 123.58 3kyc h TRP 188 Ca 0.25 0.03 -0.17 0.00 2.11 0.00 0.00 58.89 61.11 3kyc h TRP 188 Cb 0.24 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.02 3kyc h TRP 188 CO 0.02 0.40 -0.65 0.00 -2.79 0.00 0.00 178.44 175.42 3kyc h ALA 189 N 1.42 0.65 -0.29 2.65 0.00 -0.39 0.38 119.26 123.68 3kyc h ALA 189 Ca 0.37 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3kyc h ALA 189 Cb 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3kyc h ALA 189 CO -0.21 0.73 0.12 0.87 0.00 0.00 0.00 179.25 180.75 3kyc h LYS 190 N 0.33 0.44 -0.50 0.00 1.57 -1.15 -1.34 116.57 115.92 3kyc h LYS 190 Ca -0.01 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 3kyc h LYS 190 Cb 1.20 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 3kyc h LYS 190 CO 0.11 0.46 0.22 1.88 -0.57 0.00 0.00 179.45 181.55 3kyc h TYR 191 N 0.33 0.75 -0.70 -1.35 0.99 -1.11 0.55 116.97 116.43 3kyc h TYR 191 Ca 0.10 -0.05 0.01 0.00 2.00 0.00 0.00 58.73 60.79 3kyc h TYR 191 Cb 0.18 -0.23 -0.04 0.00 1.00 0.00 0.00 36.73 37.65 3kyc h TYR 191 CO -0.01 0.61 0.46 1.25 -0.00 0.00 0.00 178.16 180.48 3kyc h LEU 192 N 0.67 0.79 -0.85 3.88 5.85 -0.74 0.19 115.31 125.10 3kyc h LEU 192 Ca 0.17 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.92 3kyc h LEU 192 Cb 0.17 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 3kyc h LEU 192 CO -0.02 0.57 0.54 0.15 -0.34 0.00 0.00 178.44 179.34 3kyc h PHE 193 N 0.93 0.99 -0.65 1.25 3.57 -0.55 0.28 116.94 122.78 3kyc h PHE 193 Ca 0.26 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.70 3kyc h PHE 193 Cb -0.10 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.29 3kyc h PHE 193 CO -0.03 0.52 0.09 -0.97 -2.23 0.00 0.00 178.31 175.70 3kyc h ASN 194 N 1.00 1.05 -0.45 0.41 -0.73 0.03 0.96 115.58 117.83 3kyc h ASN 194 Ca 0.36 -0.27 -0.03 0.00 1.87 0.00 0.00 56.30 58.23 3kyc h ASN 194 Cb 0.12 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 38.41 3kyc h ASN 194 CO -0.16 1.05 0.17 1.56 -0.37 0.00 0.00 177.43 179.68 3kyc h GLN 195 N 1.00 0.74 0.15 6.67 1.08 0.29 -2.13 115.11 122.90 3kyc h GLN 195 Ca 0.20 -0.12 -0.36 0.00 -1.45 0.00 0.00 58.65 56.92 3kyc h GLN 195 Cb 0.46 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 3kyc h GLN 195 CO 0.02 0.64 -1.89 -0.07 -0.95 0.00 0.00 178.83 176.57 3kyc h LEU 196 N 0.73 0.48 0.00 1.46 3.38 -0.45 -3.41 115.31 117.50 3kyc h LEU 196 Ca 0.17 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.20 3kyc h LEU 196 Cb 0.20 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3kyc h LEU 196 CO -0.01 1.83 -0.67 0.49 0.09 0.00 0.00 178.44 180.16 3kyc n PHE 197 N -3.55 0.00 -1.23 1.13 3.01 0.28 -5.01 117.46 112.09 3kyc n PHE 197 Ca -0.29 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.17 3kyc n PHE 197 Cb 1.05 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.52 3kyc n PHE 197 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kyc n GLY 198 N 1.91 2.58 3.53 1.37 0.00 -0.80 -0.27 105.19 113.51 3kyc n GLY 198 Ca 0.00 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.71 3kyc n GLY 198 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kyc s GLU 199 N 3.56 3.35 0.23 1.61 2.12 -1.24 -4.78 118.70 123.55 3kyc s GLU 199 Ca 0.00 -0.19 -0.30 0.00 0.36 0.00 0.00 54.97 54.84 3kyc s GLU 199 Cb 0.00 -4.06 -0.15 0.00 0.26 0.00 0.00 34.13 30.18 3kyc s GLU 199 CO 0.00 -1.57 0.96 -1.91 -0.54 0.00 0.00 175.26 172.21 3kyc n GLU 200 N 7.74 1.01 -3.67 4.30 2.13 -1.26 -4.82 120.64 126.08 3kyc n GLU 200 Ca 0.03 0.36 -0.14 0.00 0.66 0.00 0.00 57.16 58.06 3kyc n GLU 200 Cb 0.48 -1.70 -0.14 0.00 0.27 0.00 0.00 31.44 30.35 3kyc n GLU 200 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3kyc s ASP 201 N -0.46 0.44 0.45 4.31 -1.08 -1.26 -5.04 116.67 114.02 3kyc s ASP 201 Ca 0.65 0.51 0.24 0.00 -0.52 0.00 0.00 52.55 53.43 3kyc s ASP 201 Cb -0.80 0.56 1.05 0.00 -1.46 0.00 0.00 42.92 42.26 3kyc s ASP 201 CO 0.57 -0.24 1.89 0.00 0.52 0.00 0.00 175.17 177.91 3kyc h ALA 202 N 8.25 1.11 0.00 3.66 0.00 -2.02 -1.83 119.26 128.43 3kyc h ALA 202 Ca -0.15 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3kyc h ALA 202 Cb 1.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3kyc h ALA 202 CO 0.15 0.28 0.00 -0.25 0.00 0.00 0.00 179.25 179.43 3kyc n ASP 203 N -3.51 0.00 -0.66 0.00 10.43 -1.26 -3.19 116.55 118.36 3kyc n ASP 203 Ca -0.01 0.15 0.06 0.00 2.57 0.00 0.00 54.79 57.57 3kyc n ASP 203 Cb 0.38 -0.34 0.20 0.00 1.84 0.00 0.00 41.12 43.19 3kyc n ASP 203 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3kyc n GLN 204 N -1.34 1.48 -2.21 -1.24 6.02 -0.69 -5.00 117.38 114.40 3kyc n GLN 204 Ca 0.08 -3.22 -0.35 0.00 -0.01 0.00 0.00 57.00 53.50 3kyc n GLN 204 Cb 0.16 -1.51 0.01 0.00 1.02 0.00 0.00 30.24 29.92 3kyc n GLN 204 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3kyc s GLU 205 N -3.02 3.29 0.00 -1.09 0.41 -1.19 -4.63 118.70 112.46 3kyc s GLU 205 Ca 0.38 1.63 0.03 0.00 -0.41 0.00 0.00 54.97 56.59 3kyc s GLU 205 Cb 0.37 -1.99 -0.01 0.00 -1.78 0.00 0.00 34.13 30.72 3kyc s GLU 205 CO -0.08 -0.90 0.31 1.33 -0.49 0.00 0.00 175.26 175.43 3kyc n VAL 206 N -1.38 0.00 -1.59 2.63 0.24 -1.26 -4.80 118.33 112.17 3kyc n VAL 206 Ca 0.12 -0.46 -0.33 0.00 -2.04 0.00 0.00 64.34 61.63 3kyc n VAL 206 Cb 0.51 1.03 0.06 0.00 -1.47 0.00 0.00 33.84 33.97 3kyc n VAL 206 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3kyc s SER 207 N -0.85 4.83 0.45 -1.34 0.15 -1.26 -4.83 113.70 110.85 3kyc s SER 207 Ca 0.02 2.00 -0.25 0.00 0.70 0.00 0.00 55.95 58.41 3kyc s SER 207 Cb 0.02 -2.55 -0.08 0.00 -1.71 0.00 0.00 66.02 61.70 3kyc s SER 207 CO 0.08 -1.82 1.41 -2.84 1.20 0.00 0.00 173.24 171.28 3kyc s PRO 208 N -4.28 3.70 -0.61 5.44 0.02 -1.26 -4.80 135.00 133.22 3kyc s PRO 208 Ca 0.66 2.39 -0.20 0.00 0.02 0.00 0.00 61.00 63.88 3kyc s PRO 208 Cb -0.21 -2.66 0.10 0.00 0.02 0.00 0.00 34.50 31.75 3kyc s PRO 208 CO 0.45 -0.79 0.76 0.34 -0.33 0.00 0.00 177.00 177.43 3kyc s ASP 209 N -0.54 6.19 0.59 2.53 3.68 -1.26 -4.94 116.67 122.92 3kyc s ASP 209 Ca 0.61 -1.37 0.33 0.00 2.13 0.00 0.00 52.55 54.25 3kyc s ASP 209 Cb -0.43 -2.32 1.87 0.00 -1.45 0.00 0.00 42.92 40.58 3kyc s ASP 209 CO 0.55 -1.17 2.23 -0.09 0.13 0.00 0.00 175.17 176.82 3kyc h ARG 210 N 9.25 0.00 -0.35 4.34 9.65 -2.00 -2.31 114.38 132.95 3kyc h ARG 210 Ca -0.28 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.60 3kyc h ARG 210 Cb 1.08 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.66 3kyc h ARG 210 CO 1.12 0.03 0.00 0.00 2.80 0.00 0.00 179.97 183.91 3kyc n ALA 211 N -2.25 2.47 -1.69 2.80 0.00 -1.26 -4.91 120.51 115.68 3kyc n ALA 211 Ca -0.03 -0.60 -0.44 0.00 0.00 0.00 0.00 53.44 52.37 3kyc n ALA 211 Cb 0.12 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.56 3kyc n ALA 211 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3kyc n ASP 212 N 0.48 3.63 0.08 0.00 -0.08 -0.87 -4.86 116.55 114.93 3kyc n ASP 212 Ca 0.11 1.03 0.11 0.00 -1.51 0.00 0.00 54.79 54.53 3kyc n ASP 212 Cb 0.30 -1.48 0.44 0.00 2.34 0.00 0.00 41.12 42.71 3kyc n ASP 212 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3kyc n PRO 213 N 4.79 0.13 0.08 -0.67 -0.04 -1.26 -1.70 135.00 136.33 3kyc n PRO 213 Ca 0.18 0.32 0.12 0.00 -0.04 0.00 0.00 63.50 64.08 3kyc n PRO 213 Cb 0.33 -1.73 0.45 0.00 -0.04 0.00 0.00 33.50 32.51 3kyc n PRO 213 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3kyc n GLU 214 N -1.98 0.14 -0.07 0.54 1.02 -1.26 -2.83 120.64 116.21 3kyc n GLU 214 Ca 0.03 0.26 0.07 0.00 -0.02 0.00 0.00 57.16 57.50 3kyc n GLU 214 Cb 0.24 -1.72 0.10 0.00 -0.02 0.00 0.00 31.44 30.04 3kyc n GLU 214 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kyc n ALA 215 N -1.68 2.40 -2.74 0.62 0.00 -0.69 -4.16 120.51 114.26 3kyc n ALA 215 Ca 0.04 -0.78 -0.21 0.00 0.00 0.00 0.00 53.44 52.49 3kyc n ALA 215 Cb 0.29 -0.49 -0.03 0.00 0.00 0.00 0.00 19.45 19.21 3kyc n ALA 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kyc s ALA 216 N -1.11 3.82 0.00 0.00 0.00 -1.13 -4.79 121.76 118.56 3kyc s ALA 216 Ca 0.20 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.74 3kyc s ALA 216 Cb 0.13 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.81 3kyc s ALA 216 CO 0.18 0.16 0.00 0.91 0.00 0.00 0.00 175.76 177.01 3kyc n TRP 217 N -1.35 0.00 -1.52 0.00 7.02 -1.26 -5.04 117.44 115.30 3kyc n TRP 217 Ca -0.06 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.42 3kyc n TRP 217 Cb 0.58 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.47 3kyc n TRP 217 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 3kyc n ILE 235 N -1.58 -0.32 -2.04 -0.99 5.41 -1.26 -5.29 119.36 113.28 3kyc n ILE 235 Ca 0.00 0.10 -0.34 0.00 1.00 0.00 0.00 62.75 63.51 3kyc n ILE 235 Cb 0.31 -0.39 0.02 0.00 -0.71 0.00 0.00 39.64 38.88 3kyc n ILE 235 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 3kyc s LYS 236 N -0.54 3.13 0.34 0.38 2.47 -1.26 -5.09 119.74 119.17 3kyc s LYS 236 Ca 0.00 1.49 0.01 0.00 -1.56 0.00 0.00 55.97 55.91 3kyc s LYS 236 Cb 0.00 -1.99 -0.03 0.00 -1.46 0.00 0.00 37.83 34.36 3kyc s LYS 236 CO 0.00 -1.01 0.54 -0.98 0.16 0.00 0.00 175.35 174.06 3kyc s ARG 237 N -3.67 3.41 -0.18 4.03 1.70 -1.26 -5.07 118.95 117.91 3kyc s ARG 237 Ca 0.70 -0.44 -0.29 0.00 -0.47 0.00 0.00 55.73 55.23 3kyc s ARG 237 Cb -0.22 -2.69 -0.01 0.00 -0.57 0.00 0.00 34.95 31.46 3kyc s ARG 237 CO 0.33 0.13 1.32 0.42 -1.08 0.00 0.00 175.30 176.42 3kyc s ILE 238 N -2.30 4.18 1.10 4.99 1.01 -1.26 -5.04 121.20 123.88 3kyc s ILE 238 Ca 0.40 1.40 -0.18 0.00 0.00 0.00 0.00 60.65 62.28 3kyc s ILE 238 Cb -0.10 -3.97 0.14 0.00 0.01 0.00 0.00 42.46 38.54 3kyc s ILE 238 CO 0.35 -0.20 0.11 -1.54 0.00 0.00 0.00 174.94 173.66 3kyc n SER 239 N 6.92 -2.72 -0.02 3.58 3.41 -1.26 -4.75 113.62 118.79 3kyc n SER 239 Ca 0.15 -0.26 -0.09 0.00 -0.26 0.00 0.00 58.87 58.40 3kyc n SER 239 Cb 0.45 -0.87 -0.07 0.00 -0.26 0.00 0.00 64.21 63.46 3kyc n SER 239 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3kyc h THR 240 N -2.36 0.91 -0.52 6.66 2.02 -1.96 -1.04 112.91 116.61 3kyc h THR 240 Ca -0.42 -1.49 0.10 0.00 0.77 0.00 0.00 66.41 65.37 3kyc h THR 240 Cb 1.15 1.65 -0.09 0.00 -1.74 0.00 0.00 68.15 69.12 3kyc h THR 240 CO 0.29 0.28 -0.03 0.50 0.37 0.00 0.00 175.52 176.93 3kyc h LYS 241 N -0.95 0.08 -0.74 6.66 1.63 -1.95 0.49 116.57 121.79 3kyc h LYS 241 Ca -0.01 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 3kyc h LYS 241 Cb 0.53 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.10 3kyc h LYS 241 CO 0.01 0.05 0.44 0.93 -3.45 0.00 0.00 179.45 177.44 3kyc h GLU 242 N 0.09 1.00 0.00 1.90 4.39 -1.94 -0.92 114.58 119.10 3kyc h GLU 242 Ca 0.26 -0.09 -0.13 0.00 0.34 0.00 0.00 59.36 59.75 3kyc h GLU 242 Cb 0.40 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 3kyc h GLU 242 CO -0.46 0.71 -0.61 2.35 -1.16 0.00 0.00 179.01 179.83 3kyc h TRP 243 N 1.02 0.00 -0.43 4.33 2.91 -0.14 -1.71 115.95 121.92 3kyc h TRP 243 Ca 0.27 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 60.25 3kyc h TRP 243 Cb -0.04 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.60 3kyc h TRP 243 CO 0.00 0.61 0.13 0.00 -1.03 0.00 0.00 178.44 178.15 3kyc h ALA 244 N 1.39 0.57 -0.51 2.65 0.00 -0.26 -2.50 119.26 120.60 3kyc h ALA 244 Ca -0.01 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 3kyc h ALA 244 Cb 1.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3kyc h ALA 244 CO 0.08 0.22 -0.08 0.87 0.00 0.00 0.00 179.25 180.35 3kyc h LYS 245 N 0.56 0.96 0.00 0.00 1.57 -0.99 0.41 116.57 119.08 3kyc h LYS 245 Ca 0.14 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3kyc h LYS 245 Cb 0.27 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3kyc h LYS 245 CO -0.00 1.01 0.00 0.66 -0.57 0.00 0.00 179.45 180.55 3kyc h SER 246 N 0.82 0.00 -0.12 0.86 4.64 -1.24 -2.69 113.55 115.82 3kyc h SER 246 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3kyc h SER 246 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3kyc h SER 246 CO 0.04 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.35 3kyc n THR 247 N -2.33 0.26 -3.36 2.95 -2.24 -0.72 -4.97 114.28 103.87 3kyc n THR 247 Ca 0.03 -0.63 -0.20 0.00 -2.27 0.00 0.00 64.05 60.99 3kyc n THR 247 Cb 0.32 1.07 0.06 0.00 -2.10 0.00 0.00 70.33 69.69 3kyc n THR 247 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kyc n GLY 248 N 0.73 -0.30 3.54 3.38 0.00 0.10 -3.24 105.19 109.41 3kyc n GLY 248 Ca 0.09 0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 3kyc n GLY 248 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kyc n TYR 249 N -4.57 -2.64 -2.33 1.61 4.01 0.88 -4.91 117.16 109.21 3kyc n TYR 249 Ca -0.00 0.91 -0.43 0.00 -0.16 0.00 0.00 57.90 58.22 3kyc n TYR 249 Cb 0.55 -4.77 -0.02 0.00 -0.31 0.00 0.00 39.34 34.80 3kyc n TYR 249 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3kyc s ASP 250 N -3.20 6.71 0.29 7.72 2.15 -1.20 -4.89 116.67 124.24 3kyc s ASP 250 Ca 0.55 1.52 0.02 0.00 0.43 0.00 0.00 52.55 55.06 3kyc s ASP 250 Cb -0.25 -2.54 0.71 0.00 -0.30 0.00 0.00 42.92 40.54 3kyc s ASP 250 CO 0.68 -1.00 1.65 -0.65 -0.17 0.00 0.00 175.17 175.68 3kyc h PRO 251 N 9.22 0.20 0.14 4.34 0.11 -1.90 -1.61 132.00 142.50 3kyc h PRO 251 Ca -0.29 -0.01 -0.30 0.00 0.11 0.00 0.00 66.00 65.51 3kyc h PRO 251 Cb 1.12 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3kyc h PRO 251 CO 1.00 0.13 -1.46 0.28 -0.21 0.00 0.00 178.00 177.75 3kyc h VAL 252 N 0.21 1.25 0.00 3.15 2.07 -1.95 -1.68 116.25 119.29 3kyc h VAL 252 Ca 0.55 -2.85 -0.06 0.00 0.82 0.00 0.00 66.70 65.16 3kyc h VAL 252 Cb 1.11 2.84 -0.01 0.00 -1.52 0.00 0.00 31.29 33.70 3kyc h VAL 252 CO -0.66 0.84 -0.27 0.11 0.02 0.00 0.00 177.57 177.62 3kyc h LYS 253 N 0.08 0.00 -0.09 1.57 1.57 -1.88 -1.59 116.57 116.24 3kyc h LYS 253 Ca -0.22 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.36 3kyc h LYS 253 Cb 2.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.33 3kyc h LYS 253 CO 0.18 0.27 -0.78 -0.07 -0.57 0.00 0.00 179.45 178.48 3kyc h LEU 254 N 0.00 0.63 0.25 2.94 3.38 -0.89 -1.54 115.31 120.09 3kyc h LEU 254 Ca -0.00 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 3kyc h LEU 254 Cb 0.60 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3kyc h LEU 254 CO 0.03 1.19 -0.22 0.15 0.09 0.00 0.00 178.44 179.68 3kyc h PHE 255 N 0.35 -0.59 -0.21 1.13 3.57 -0.83 -1.15 116.94 119.22 3kyc h PHE 255 Ca -0.05 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 3kyc h PHE 255 Cb 1.38 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 40.33 3kyc h PHE 255 CO 0.06 -0.33 0.13 1.15 -2.23 0.00 0.00 178.31 177.09 3kyc h THR 256 N -0.49 1.08 -0.45 4.41 2.02 -1.22 0.00 112.91 118.26 3kyc h THR 256 Ca -0.01 -0.18 0.09 0.00 0.77 0.00 0.00 66.41 67.08 3kyc h THR 256 Cb 0.45 0.82 -0.08 0.00 -1.74 0.00 0.00 68.15 67.59 3kyc h THR 256 CO -0.03 0.08 -0.07 0.50 0.37 0.00 0.00 175.52 176.37 3kyc h LYS 257 N 0.27 0.04 0.13 6.66 3.11 -1.09 -0.19 116.57 125.50 3kyc h LYS 257 Ca 0.08 -0.00 -0.31 0.00 -2.81 0.00 0.00 60.65 57.60 3kyc h LYS 257 Cb 0.01 -0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.22 3kyc h LYS 257 CO -0.02 0.03 -1.57 -0.07 -2.81 0.00 0.00 179.45 175.01 3kyc h LEU 258 N 0.04 0.42 -2.00 5.20 3.38 -0.70 -0.98 115.31 120.67 3kyc h LEU 258 Ca 0.22 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3kyc h LEU 258 Cb 0.33 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3kyc h LEU 258 CO -0.43 1.50 0.00 0.49 0.09 0.00 0.00 178.44 180.10 3kyc n PHE 259 N -3.47 0.19 0.10 1.13 3.01 -0.06 -4.37 117.46 113.99 3kyc n PHE 259 Ca -0.18 -0.19 0.00 0.00 1.01 0.00 0.00 57.45 58.10 3kyc n PHE 259 Cb 1.05 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.51 3kyc n PHE 259 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 3kyc n LYS 260 N 0.68 0.00 -0.15 -1.08 4.81 -0.27 -1.05 118.16 121.10 3kyc n LYS 260 Ca 0.09 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.44 3kyc n LYS 260 Cb 0.36 -0.08 0.04 0.00 0.02 0.00 0.00 35.03 35.37 3kyc n LYS 260 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 3kyc h ASP 261 N 0.00 0.96 -0.24 3.14 3.32 -1.01 0.17 116.42 122.76 3kyc h ASP 261 Ca 0.00 -0.32 -0.05 0.00 0.02 0.00 0.00 57.03 56.68 3kyc h ASP 261 Cb 0.00 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 3kyc h ASP 261 CO 0.00 1.09 0.01 0.44 -1.72 0.00 0.00 179.24 179.06 3kyc h ASP 262 N 0.84 0.50 -0.16 6.45 5.19 -1.38 -2.40 116.42 125.46 3kyc h ASP 262 Ca 0.13 -0.09 -0.18 0.00 -0.62 0.00 0.00 57.03 56.26 3kyc h ASP 262 Cb 0.69 -0.13 0.01 0.00 0.18 0.00 0.00 39.33 40.08 3kyc h ASP 262 CO 0.05 0.56 -0.60 0.40 -3.12 0.00 0.00 179.24 176.53 3kyc h ILE 263 N 0.52 1.31 -0.97 0.35 5.03 -1.59 -1.95 117.51 120.21 3kyc h ILE 263 Ca 0.11 -1.84 0.17 0.00 -0.12 0.00 0.00 64.86 63.18 3kyc h ILE 263 Cb 0.32 1.99 -0.09 0.00 -3.03 0.00 0.00 36.82 36.01 3kyc h ILE 263 CO 0.01 0.58 0.61 0.03 -0.68 0.00 0.00 178.15 178.69 3kyc h ARG 264 N 0.38 0.72 -0.04 2.37 3.08 -0.41 -1.45 114.38 119.02 3kyc h ARG 264 Ca -0.03 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 3kyc h ARG 264 Cb 1.23 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 31.12 3kyc h ARG 264 CO 0.13 0.48 -0.05 -0.92 -1.07 0.00 0.00 179.97 178.53 3kyc h TYR 265 N 0.74 0.14 -0.90 3.04 5.03 -1.11 -2.95 116.97 120.96 3kyc h TYR 265 Ca 0.52 -0.04 0.25 0.00 2.58 0.00 0.00 58.73 62.04 3kyc h TYR 265 Cb 0.83 -0.03 -0.14 0.00 1.55 0.00 0.00 36.73 38.94 3kyc h TYR 265 CO -0.00 0.59 0.29 -0.07 -1.32 0.00 0.00 178.16 177.65 3kyc h LEU 266 N -0.36 0.08 -2.40 2.82 3.38 -0.57 0.20 115.31 118.46 3kyc h LEU 266 Ca 0.01 0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.19 3kyc h LEU 266 Cb 0.57 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 3kyc h LEU 266 CO 0.01 -0.15 0.09 -0.07 0.09 0.00 0.00 178.44 178.42 3kyc h LEU 267 N 0.23 0.00 -1.33 1.67 3.38 -1.12 0.22 115.31 118.36 3kyc h LEU 267 Ca 0.58 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.50 3kyc h LEU 267 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3kyc h LEU 267 CO -0.65 0.00 -0.24 0.74 0.09 0.00 0.00 178.44 178.39 3kyc h THR 268 N 0.00 0.67 -3.00 0.22 2.02 -0.55 -3.34 112.91 108.94 3kyc h THR 268 Ca 0.03 -1.04 -0.81 0.00 0.77 0.00 0.00 66.41 65.37 3kyc h THR 268 Cb 0.22 1.67 -0.28 0.00 -1.74 0.00 0.00 68.15 68.02 3kyc h THR 268 CO -0.00 0.23 0.76 0.23 0.37 0.00 0.00 175.52 177.11 3kyc n MET 269 N -3.54 4.31 0.21 6.66 2.81 0.77 -4.82 117.12 123.51 3kyc n MET 269 Ca -0.01 -4.52 0.10 0.00 -1.81 0.00 0.00 57.70 51.47 3kyc n MET 269 Cb 0.39 -2.53 0.21 0.00 -0.71 0.00 0.00 33.22 30.58 3kyc n MET 269 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 3kyc h ASP 270 N 5.65 0.00 0.34 7.83 2.03 -1.75 -2.83 116.42 127.69 3kyc h ASP 270 Ca 0.20 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.50 3kyc h ASP 270 Cb 0.66 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.16 3kyc h ASP 270 CO 1.29 0.12 0.00 0.50 -1.03 0.00 0.00 179.24 180.12 3kyc h LYS 271 N 0.00 0.00 0.00 4.15 3.64 -1.86 0.42 116.57 122.91 3kyc h LYS 271 Ca -0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 3kyc h LYS 271 Cb 1.02 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 3kyc h LYS 271 CO 0.02 0.00 -0.25 -0.07 -2.27 0.00 0.00 179.45 176.87 3kyc h LEU 272 N 0.00 0.00 -3.37 5.20 3.38 -1.66 -3.31 115.31 115.54 3kyc h LEU 272 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3kyc h LEU 272 Cb 0.17 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 3kyc h LEU 272 CO 0.00 0.25 0.03 0.79 0.09 0.00 0.00 178.44 179.60 3kyc n TRP 273 N -4.20 1.24 -0.03 1.13 7.02 0.13 -4.28 117.44 118.46 3kyc n TRP 273 Ca -0.02 -1.22 -0.10 0.00 -1.02 0.00 0.00 57.50 55.15 3kyc n TRP 273 Cb 0.31 -0.45 0.06 0.00 -2.42 0.00 0.00 31.31 28.81 3kyc n TRP 273 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3kyc h ARG 274 N 1.55 0.65 0.00 -0.99 3.08 -1.65 -3.35 114.38 113.67 3kyc h ARG 274 Ca 0.14 -0.36 -0.03 0.00 0.07 0.00 0.00 59.98 59.80 3kyc h ARG 274 Cb 1.68 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.75 3kyc h ARG 274 CO 0.37 0.97 -1.21 1.17 -1.07 0.00 0.00 179.97 180.21 3kyc n LYS 275 N -4.01 1.41 -3.50 0.04 4.81 -1.26 -5.05 118.16 110.61 3kyc n LYS 275 Ca -0.02 -0.02 -0.32 0.00 -0.87 0.00 0.00 58.31 57.08 3kyc n LYS 275 Cb 0.56 -1.09 -0.05 0.00 0.02 0.00 0.00 35.03 34.47 3kyc n LYS 275 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 3kyc s ARG 276 N -2.20 3.73 0.05 1.64 1.70 -1.26 -5.03 118.95 117.57 3kyc s ARG 276 Ca -0.02 0.13 -0.30 0.00 -0.47 0.00 0.00 55.73 55.07 3kyc s ARG 276 Cb 0.02 -2.72 -0.08 0.00 -0.57 0.00 0.00 34.95 31.60 3kyc s ARG 276 CO 0.16 0.36 1.66 0.21 -1.08 0.00 0.00 175.30 176.61 3kyc s LYS 277 N -2.81 4.20 0.56 3.89 2.20 -1.26 -4.60 119.74 121.92 3kyc s LYS 277 Ca 0.45 2.31 -0.20 0.00 -0.36 0.00 0.00 55.97 58.17 3kyc s LYS 277 Cb -0.11 -3.67 -0.05 0.00 -1.51 0.00 0.00 37.83 32.48 3kyc s LYS 277 CO 0.23 -0.75 1.19 -2.14 -0.36 0.00 0.00 175.35 173.51 3kyc s PRO 278 N 2.90 3.20 0.56 4.03 0.02 -1.26 -4.97 135.00 139.47 3kyc s PRO 278 Ca 0.74 1.78 -0.19 0.00 0.02 0.00 0.00 61.00 63.35 3kyc s PRO 278 Cb -0.39 -2.03 -0.05 0.00 0.02 0.00 0.00 34.50 32.05 3kyc s PRO 278 CO 0.32 -1.02 1.13 -1.25 -0.33 0.00 0.00 177.00 175.86 3kyc s PRO 279 N -3.21 3.27 -0.23 5.54 0.04 -1.26 -4.93 135.00 134.22 3kyc s PRO 279 Ca 0.74 1.61 -0.06 0.00 0.04 0.00 0.00 61.00 63.34 3kyc s PRO 279 Cb -0.29 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 3kyc s PRO 279 CO 0.32 -0.92 0.02 0.08 0.04 0.00 0.00 177.00 176.54 3kyc s VAL 280 N -1.80 3.89 0.59 -0.36 1.01 -0.52 -4.97 120.40 118.24 3kyc s VAL 280 Ca 0.73 -0.32 -0.16 0.00 0.00 0.00 0.00 61.98 62.23 3kyc s VAL 280 Cb -0.24 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 3kyc s VAL 280 CO 0.29 0.38 1.07 -2.16 0.00 0.00 0.00 175.10 174.68 3kyc s PRO 281 N 1.48 3.27 0.09 2.72 0.05 -1.26 -4.62 135.00 136.73 3kyc s PRO 281 Ca 0.06 1.29 0.07 0.00 0.05 0.00 0.00 61.00 62.47 3kyc s PRO 281 Cb -0.15 -2.02 -0.04 0.00 0.05 0.00 0.00 34.50 32.34 3kyc s PRO 281 CO 0.01 -0.86 -0.13 -0.51 0.05 0.00 0.00 177.00 175.56 3kyc s LEU 282 N -4.40 2.92 -0.06 -3.56 1.43 -0.22 -5.00 118.68 109.79 3kyc s LEU 282 Ca 0.65 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 53.38 3kyc s LEU 282 Cb -0.18 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.32 3kyc s LEU 282 CO 0.35 0.20 -0.18 -0.62 0.23 0.00 0.00 176.35 176.33 3kyc s ASP 283 N -2.03 2.30 0.08 2.29 -1.08 -1.26 -4.22 116.67 112.74 3kyc s ASP 283 Ca 0.19 -0.39 -0.34 0.00 -0.52 0.00 0.00 52.55 51.50 3kyc s ASP 283 Cb -0.11 -0.86 -0.16 0.00 -1.46 0.00 0.00 42.92 40.33 3kyc s ASP 283 CO 0.11 0.12 1.59 -0.25 0.52 0.00 0.00 175.17 177.27 3kyc h TRP 284 N 6.56 -1.14 -0.42 -5.34 2.91 -1.96 -0.57 115.95 116.00 3kyc h TRP 284 Ca -0.29 -0.00 0.05 0.00 1.13 0.00 0.00 58.89 59.78 3kyc h TRP 284 Cb 1.19 0.43 -0.04 0.00 -0.51 0.00 0.00 29.16 30.23 3kyc h TRP 284 CO 0.46 -0.60 0.16 0.00 -1.03 0.00 0.00 178.44 177.43 3kyc h ALA 285 N -0.65 0.51 -0.59 2.65 0.00 -1.98 -0.98 119.26 118.22 3kyc h ALA 285 Ca -0.06 0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.98 3kyc h ALA 285 Cb 0.79 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 3kyc h ALA 285 CO -0.00 -0.22 0.23 0.93 0.00 0.00 0.00 179.25 180.19 3kyc h GLU 286 N 0.34 0.41 -0.60 0.00 5.08 -1.95 0.46 114.58 118.32 3kyc h GLU 286 Ca 0.19 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.44 3kyc h GLU 286 Cb 0.16 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3kyc h GLU 286 CO -0.18 0.27 0.04 0.28 -1.00 0.00 0.00 179.01 178.42 3kyc h VAL 287 N 0.42 1.26 -0.00 3.13 2.07 -0.42 -1.86 116.25 120.85 3kyc h VAL 287 Ca 0.29 -1.10 -0.11 0.00 0.82 0.00 0.00 66.70 66.60 3kyc h VAL 287 Cb 0.33 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 3kyc h VAL 287 CO -0.28 0.40 -0.53 1.56 0.02 0.00 0.00 177.57 178.74 3kyc h GLN 288 N 0.93 0.01 -0.48 1.57 1.08 -0.80 -3.21 115.11 114.21 3kyc h GLN 288 Ca 0.17 -0.01 -0.12 0.00 -1.45 0.00 0.00 58.65 57.25 3kyc h GLN 288 Cb 0.51 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.93 3kyc h GLN 288 CO 0.02 0.54 -0.17 0.66 -0.95 0.00 0.00 178.83 178.93 3kyc h SER 289 N 0.01 0.95 0.24 1.46 4.64 0.44 -3.25 113.55 118.05 3kyc h SER 289 Ca -0.00 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3kyc h SER 289 Cb 0.94 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3kyc h SER 289 CO 0.07 1.10 0.00 0.00 -0.87 0.00 0.00 176.83 177.13 3kyc n GLN 290 N -4.13 0.71 -2.48 4.77 10.64 -0.75 -5.10 117.38 121.05 3kyc n GLN 290 Ca 0.01 0.01 -0.33 0.00 -1.83 0.00 0.00 57.00 54.85 3kyc n GLN 290 Cb 0.43 -1.50 -0.03 0.00 -0.86 0.00 0.00 30.24 28.28 3kyc n GLN 290 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 3kyc s GLY 291 N -2.26 2.38 0.00 2.61 0.00 -1.23 -5.11 107.32 103.72 3kyc s GLY 291 Ca 0.38 0.50 0.00 0.00 0.00 0.00 0.00 44.72 45.60 3kyc s GLY 291 CO 0.39 0.81 0.00 1.04 0.00 0.00 0.00 173.10 175.34 3kyc n LEU 305 N -1.17 0.00 0.00 0.66 7.99 -1.26 -5.17 117.00 118.05 3kyc n LEU 305 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.09 3kyc n LEU 305 Cb 0.53 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.84 3kyc n LEU 305 CO 0.41 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.90 3kyc n GLY 306 N 2.95 -0.96 3.78 -0.72 0.00 -1.26 -4.97 105.19 104.02 3kyc n GLY 306 Ca 0.00 -2.24 -0.30 0.00 0.00 0.00 0.00 46.02 43.48 3kyc n GLY 306 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kyc s LEU 307 N 0.00 2.36 0.06 0.99 1.43 -1.26 -4.90 118.68 117.36 3kyc s LEU 307 Ca 0.00 1.27 -0.32 0.00 -1.03 0.00 0.00 54.13 54.05 3kyc s LEU 307 Cb 0.00 -3.77 -0.19 0.00 0.03 0.00 0.00 46.19 42.26 3kyc s LEU 307 CO 0.00 -2.28 1.56 0.11 0.23 0.00 0.00 176.35 175.97 3kyc h LYS 308 N -1.30 -0.86 0.00 1.70 6.56 -1.97 -0.52 116.57 120.17 3kyc h LYS 308 Ca -0.49 0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.16 3kyc h LYS 308 Cb 1.29 0.20 0.00 0.00 -0.57 0.00 0.00 32.23 33.14 3kyc h LYS 308 CO 0.59 -0.56 0.07 -0.25 -2.06 0.00 0.00 179.45 177.24 3kyc n ASP 309 N -5.46 0.00 -0.45 0.86 8.00 -1.26 -0.50 116.55 117.74 3kyc n ASP 309 Ca -0.13 0.22 0.12 0.00 0.71 0.00 0.00 54.79 55.71 3kyc n ASP 309 Cb 0.37 -0.22 0.17 0.00 -0.02 0.00 0.00 41.12 41.41 3kyc n ASP 309 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kyc n GLN 310 N -1.18 1.21 -2.76 -1.24 6.02 -0.21 -0.90 117.38 118.33 3kyc n GLN 310 Ca 0.00 -0.90 -0.41 0.00 -0.01 0.00 0.00 57.00 55.68 3kyc n GLN 310 Cb 0.07 -1.48 -0.05 0.00 1.02 0.00 0.00 30.24 29.80 3kyc n GLN 310 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3kyc s GLN 311 N -2.41 4.75 -0.19 -1.09 -1.52 0.34 -4.80 119.66 114.74 3kyc s GLN 311 Ca 0.23 1.44 -0.23 0.00 -1.95 0.00 0.00 55.36 54.85 3kyc s GLN 311 Cb 0.19 -3.33 -0.02 0.00 -0.22 0.00 0.00 33.01 29.63 3kyc s GLN 311 CO 0.52 0.36 0.71 0.08 -0.25 0.00 0.00 175.29 176.70 3kyc s VAL 312 N -0.54 4.96 0.81 1.09 1.01 -1.26 -4.39 120.40 122.09 3kyc s VAL 312 Ca 0.44 1.36 -0.06 0.00 0.00 0.00 0.00 61.98 63.71 3kyc s VAL 312 Cb -0.24 -4.02 0.16 0.00 0.00 0.00 0.00 36.38 32.27 3kyc s VAL 312 CO 0.30 0.07 1.12 -0.76 0.00 0.00 0.00 175.10 175.84 3kyc s LEU 313 N 2.03 2.88 0.68 3.92 1.43 -1.26 -5.08 118.68 123.28 3kyc s LEU 313 Ca 0.32 -0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 53.25 3kyc s LEU 313 Cb -0.16 -2.06 0.09 0.00 0.03 0.00 0.00 46.19 44.09 3kyc s LEU 313 CO 0.11 -2.21 0.95 1.51 0.23 0.00 0.00 176.35 176.95 3kyc s ASP 314 N -4.80 4.61 0.16 2.29 3.84 -1.26 -4.92 116.67 116.59 3kyc s ASP 314 Ca 0.69 -0.10 -0.16 0.00 -0.00 0.00 0.00 52.55 52.99 3kyc s ASP 314 Cb -0.05 -0.44 0.06 0.00 -1.38 0.00 0.00 42.92 41.11 3kyc s ASP 314 CO 0.48 -1.67 1.76 0.58 -0.00 0.00 0.00 175.17 176.32 3kyc h VAL 315 N -0.43 0.93 -0.76 2.11 2.07 -1.99 -1.03 116.25 117.15 3kyc h VAL 315 Ca -0.40 -0.11 0.14 0.00 0.82 0.00 0.00 66.70 67.15 3kyc h VAL 315 Cb 1.28 0.57 -0.09 0.00 -1.52 0.00 0.00 31.29 31.53 3kyc h VAL 315 CO 0.47 0.06 0.32 0.50 0.02 0.00 0.00 177.57 178.94 3kyc h LYS 316 N 0.33 0.47 -0.14 1.57 3.11 -1.94 0.43 116.57 120.40 3kyc h LYS 316 Ca 0.17 -0.03 -0.10 0.00 -2.81 0.00 0.00 60.65 57.88 3kyc h LYS 316 Cb 0.12 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.24 3kyc h LYS 316 CO -0.15 0.31 -0.31 0.77 -2.81 0.00 0.00 179.45 177.26 3kyc h SER 317 N 0.48 0.51 -0.76 4.20 0.02 -1.59 -1.22 113.55 115.20 3kyc h SER 317 Ca 0.41 -0.56 0.05 0.00 -0.84 0.00 0.00 61.79 60.84 3kyc h SER 317 Cb 0.59 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.93 3kyc h SER 317 CO -0.38 0.98 0.46 1.88 -1.14 0.00 0.00 176.83 178.64 3kyc h TYR 318 N 0.07 0.86 -0.32 3.45 0.99 -0.78 0.83 116.97 122.07 3kyc h TYR 318 Ca 0.00 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.77 3kyc h TYR 318 Cb 0.91 -0.28 -0.02 0.00 1.00 0.00 0.00 36.73 38.34 3kyc h TYR 318 CO 0.10 0.46 0.19 0.00 -0.00 0.00 0.00 178.16 178.91 3kyc h ALA 319 N 1.35 0.40 -0.45 3.88 0.00 -0.55 0.22 119.26 124.12 3kyc h ALA 319 Ca 0.32 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.10 3kyc h ALA 319 Cb 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3kyc h ALA 319 CO -0.15 -0.17 -0.22 -0.09 0.00 0.00 0.00 179.25 178.62 3kyc h ARG 320 N 0.39 0.91 -0.04 0.00 9.65 -0.97 -1.95 114.38 122.38 3kyc h ARG 320 Ca 0.12 -0.38 -0.09 0.00 -1.10 0.00 0.00 59.98 58.53 3kyc h ARG 320 Cb -0.01 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.53 3kyc h ARG 320 CO -0.05 1.04 -0.39 1.25 2.80 0.00 0.00 179.97 184.62 3kyc h LEU 321 N 0.79 0.09 -0.34 3.80 5.85 -0.06 -0.29 115.31 125.14 3kyc h LEU 321 Ca 0.10 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 3kyc h LEU 321 Cb 0.77 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 3kyc h LEU 321 CO 0.06 0.47 0.01 0.15 -0.34 0.00 0.00 178.44 178.80 3kyc h PHE 322 N 0.08 0.65 0.18 1.25 3.57 -0.03 -0.87 116.94 121.77 3kyc h PHE 322 Ca 0.01 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.39 3kyc h PHE 322 Cb 0.72 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.29 3kyc h PHE 322 CO 0.00 0.70 -0.09 1.03 -2.23 0.00 0.00 178.31 177.73 3kyc h SER 323 N 0.41 -0.20 -0.94 0.41 0.87 -1.02 -2.23 113.55 110.85 3kyc h SER 323 Ca 0.10 -0.21 0.05 0.00 -1.23 0.00 0.00 61.79 60.50 3kyc h SER 323 Cb 0.43 0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.39 3kyc h SER 323 CO 0.02 0.11 0.61 0.50 -0.53 0.00 0.00 176.83 177.53 3kyc h LYS 324 N -0.53 1.08 -0.73 2.24 3.64 -1.03 -2.35 116.57 118.89 3kyc h LYS 324 Ca -0.02 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 3kyc h LYS 324 Cb 0.40 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 3kyc h LYS 324 CO 0.04 0.71 0.28 0.77 -2.27 0.00 0.00 179.45 178.98 3kyc h SER 325 N 1.11 1.01 -0.59 4.20 0.02 -0.95 -1.84 113.55 116.51 3kyc h SER 325 Ca 0.39 -0.16 -0.06 0.00 -0.84 0.00 0.00 61.79 61.13 3kyc h SER 325 Cb 0.12 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 3kyc h SER 325 CO -0.14 0.90 0.13 0.40 -1.14 0.00 0.00 176.83 176.99 3kyc h ILE 326 N 1.06 1.25 0.12 3.27 2.04 -0.89 -0.96 117.51 123.40 3kyc h ILE 326 Ca 0.24 -0.92 0.01 0.00 1.00 0.00 0.00 64.86 65.20 3kyc h ILE 326 Cb 0.22 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 3kyc h ILE 326 CO -0.02 0.34 -0.17 -0.33 0.00 0.00 0.00 178.15 177.97 3kyc h GLU 327 N 0.85 -0.33 -0.38 2.37 5.08 -1.03 0.71 114.58 121.85 3kyc h GLU 327 Ca 0.18 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 3kyc h GLU 327 Cb 0.36 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3kyc h GLU 327 CO 0.00 -0.22 0.22 1.15 -1.00 0.00 0.00 179.01 179.16 3kyc h THR 328 N -0.35 1.14 0.00 1.13 2.02 -1.32 -3.01 112.91 112.52 3kyc h THR 328 Ca 0.02 -0.34 -0.06 0.00 0.77 0.00 0.00 66.41 66.80 3kyc h THR 328 Cb 0.36 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 3kyc h THR 328 CO -0.08 0.14 -0.30 -0.07 0.37 0.00 0.00 175.52 175.58 3kyc h LEU 329 N 0.50 0.00 -1.02 2.58 3.38 -0.61 -0.01 115.31 120.13 3kyc h LEU 329 Ca 0.14 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 3kyc h LEU 329 Cb 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3kyc h LEU 329 CO -0.02 0.30 0.05 -0.09 0.09 0.00 0.00 178.44 178.76 3kyc h ARG 330 N 0.00 0.76 -0.05 1.13 2.43 -0.80 0.16 114.38 118.01 3kyc h ARG 330 Ca -0.00 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 58.96 3kyc h ARG 330 Cb 0.66 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 3kyc h ARG 330 CO 0.04 0.73 -0.07 0.28 -1.51 0.00 0.00 179.97 179.44 3kyc h VAL 331 N 0.72 1.40 -0.99 0.20 2.07 -0.93 -2.31 116.25 116.41 3kyc h VAL 331 Ca 0.15 -1.30 0.09 0.00 0.82 0.00 0.00 66.70 66.46 3kyc h VAL 331 Cb 0.37 2.15 -0.07 0.00 -1.52 0.00 0.00 31.29 32.22 3kyc h VAL 331 CO 0.01 0.35 0.63 0.45 0.02 0.00 0.00 177.57 179.04 3kyc h HIS 332 N -0.34 1.16 -0.52 1.57 3.86 -1.02 -1.96 115.15 117.90 3kyc h HIS 332 Ca 0.01 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.19 3kyc h HIS 332 Cb 0.61 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 28.68 3kyc h HIS 332 CO 0.10 0.54 0.11 1.25 0.86 0.00 0.00 177.93 180.79 3kyc h LEU 333 N 1.09 0.81 -2.45 2.43 5.85 -0.90 -1.86 115.31 120.28 3kyc h LEU 333 Ca 0.45 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 3kyc h LEU 333 Cb 0.30 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 3kyc h LEU 333 CO -0.21 0.85 -0.02 0.00 -0.34 0.00 0.00 178.44 178.72 3kyc h ALA 334 N 0.99 1.07 0.00 1.25 0.00 -0.79 -2.94 119.26 118.84 3kyc h ALA 334 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3kyc h ALA 334 Cb 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3kyc h ALA 334 CO 0.01 0.02 -0.07 0.39 0.00 0.00 0.00 179.25 179.60 3kyc n GLU 335 N -3.21 0.22 -1.68 0.00 1.02 -0.71 -4.84 120.64 111.43 3kyc n GLU 335 Ca -0.02 0.17 -0.39 0.00 -0.02 0.00 0.00 57.16 56.89 3kyc n GLU 335 Cb 0.15 -1.74 0.04 0.00 -0.02 0.00 0.00 31.44 29.87 3kyc n GLU 335 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3kyc n LYS 336 N -2.12 1.47 -4.18 3.49 4.01 -1.11 -4.99 118.16 114.72 3kyc n LYS 336 Ca 0.06 0.54 -0.35 0.00 -0.51 0.00 0.00 58.31 58.04 3kyc n LYS 336 Cb 0.42 -2.36 -0.09 0.00 -0.51 0.00 0.00 35.03 32.49 3kyc n LYS 336 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 3kyc s GLY 337 N -0.91 1.92 -0.72 0.72 0.00 -1.26 -4.65 107.32 102.42 3kyc s GLY 337 Ca 0.70 -0.76 -0.01 0.00 0.00 0.00 0.00 44.72 44.65 3kyc s GLY 337 CO 0.51 -0.33 0.60 1.34 0.00 0.00 0.00 173.10 175.22 3kyc n ASP 338 N 2.58 -2.51 -0.24 1.64 4.64 -1.26 -3.51 116.55 117.89 3kyc n ASP 338 Ca -0.18 -0.35 -0.03 0.00 -1.38 0.00 0.00 54.79 52.84 3kyc n ASP 338 Cb 0.53 -3.18 -0.01 0.00 -1.04 0.00 0.00 41.12 37.42 3kyc n ASP 338 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3kyc n GLY 339 N -1.13 0.47 3.80 0.27 0.00 -1.26 -4.98 105.19 102.35 3kyc n GLY 339 Ca -0.14 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 3kyc n GLY 339 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kyc s ALA 340 N -1.62 2.55 0.34 4.61 0.00 -1.23 -5.07 121.76 121.35 3kyc s ALA 340 Ca 0.00 0.23 0.07 0.00 0.00 0.00 0.00 51.96 52.26 3kyc s ALA 340 Cb 0.00 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 3kyc s ALA 340 CO 0.00 -1.31 0.47 -1.21 0.00 0.00 0.00 175.76 173.72 3kyc s GLU 341 N -4.74 3.08 0.48 0.00 0.41 -1.26 -4.80 118.70 111.86 3kyc s GLU 341 Ca 0.61 -1.04 -0.20 0.00 -0.41 0.00 0.00 54.97 53.92 3kyc s GLU 341 Cb -0.16 -2.80 -0.09 0.00 -1.78 0.00 0.00 34.13 29.30 3kyc s GLU 341 CO 0.51 0.03 1.00 -0.51 -0.49 0.00 0.00 175.26 175.80 3kyc s LEU 342 N -4.18 3.84 -0.14 1.80 1.43 0.62 -4.99 118.68 117.06 3kyc s LEU 342 Ca 0.46 1.81 -0.01 0.00 -1.03 0.00 0.00 54.13 55.35 3kyc s LEU 342 Cb -0.09 -4.55 -0.02 0.00 0.03 0.00 0.00 46.19 41.56 3kyc s LEU 342 CO 0.31 -0.65 -0.09 -0.63 0.23 0.00 0.00 176.35 175.52 3kyc s ILE 343 N -2.13 3.38 0.18 -0.59 -1.09 -1.26 -4.24 121.20 115.44 3kyc s ILE 343 Ca 0.65 -0.55 -0.31 0.00 -2.23 0.00 0.00 60.65 58.21 3kyc s ILE 343 Cb -0.13 -2.44 -0.09 0.00 -1.58 0.00 0.00 42.46 38.21 3kyc s ILE 343 CO 0.20 0.52 1.43 0.86 -1.23 0.00 0.00 174.94 176.71 3kyc s TRP 344 N 0.31 3.14 -0.04 3.97 -0.00 -1.26 -5.02 118.94 120.05 3kyc s TRP 344 Ca -0.08 0.93 -0.01 0.00 -0.00 0.00 0.00 56.10 56.94 3kyc s TRP 344 Cb -0.15 -3.77 0.03 0.00 -0.00 0.00 0.00 33.47 29.58 3kyc s TRP 344 CO 0.05 -2.63 0.06 0.34 -0.00 0.00 0.00 176.95 174.76 3kyc s ASP 345 N 0.79 0.69 0.61 5.86 2.15 -1.26 -5.01 116.67 120.50 3kyc s ASP 345 Ca 0.63 0.09 0.33 0.00 0.43 0.00 0.00 52.55 54.03 3kyc s ASP 345 Cb -0.40 -0.08 1.88 0.00 -0.30 0.00 0.00 42.92 44.03 3kyc s ASP 345 CO 0.35 -0.20 2.20 0.07 -0.17 0.00 0.00 175.17 177.41 3kyc h LYS 346 N 7.98 0.00 0.00 4.34 2.10 -1.95 -2.21 116.57 126.83 3kyc h LYS 346 Ca -0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 3kyc h LYS 346 Cb 1.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 3kyc h LYS 346 CO 0.28 0.00 -0.66 -0.25 -2.00 0.00 0.00 179.45 176.82 3kyc n ASP 347 N -3.58 0.59 -4.62 7.07 8.00 -1.26 -4.70 116.55 118.06 3kyc n ASP 347 Ca -0.01 -0.17 -0.43 0.00 0.71 0.00 0.00 54.79 54.89 3kyc n ASP 347 Cb 0.20 0.36 -0.02 0.00 -0.02 0.00 0.00 41.12 41.64 3kyc n ASP 347 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3kyc s ASP 348 N -3.52 6.67 0.22 -2.24 2.15 -0.83 -4.93 116.67 114.19 3kyc s ASP 348 Ca 0.08 0.99 -0.15 0.00 0.43 0.00 0.00 52.55 53.91 3kyc s ASP 348 Cb 0.16 -2.54 0.25 0.00 -0.30 0.00 0.00 42.92 40.48 3kyc s ASP 348 CO 0.73 -1.12 1.59 -0.65 -0.17 0.00 0.00 175.17 175.56 3kyc h PRO 349 N 9.23 -0.05 0.00 4.34 0.11 -1.86 -1.73 132.00 142.04 3kyc h PRO 349 Ca -0.25 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.81 3kyc h PRO 349 Cb 1.08 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3kyc h PRO 349 CO 1.06 -0.03 -0.50 0.66 -0.21 0.00 0.00 178.00 178.97 3kyc h SER 350 N -0.05 0.00 0.12 -2.05 4.64 -1.93 0.18 113.55 114.45 3kyc h SER 350 Ca 0.32 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.54 3kyc h SER 350 Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 3kyc h SER 350 CO -0.76 0.23 -0.35 0.00 -0.87 0.00 0.00 176.83 175.08 3kyc h ALA 351 N 1.77 1.10 0.19 5.18 0.00 -1.79 -0.58 119.26 125.12 3kyc h ALA 351 Ca -0.02 -0.39 -0.27 0.00 0.00 0.00 0.00 54.91 54.23 3kyc h ALA 351 Cb 1.20 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.92 3kyc h ALA 351 CO 0.03 0.57 -1.18 1.98 0.00 0.00 0.00 179.25 180.65 3kyc h MET 352 N 0.29 0.46 -0.56 0.00 -1.53 -0.29 -2.66 114.93 110.64 3kyc h MET 352 Ca 0.03 -0.75 0.03 0.00 -3.44 0.00 0.00 59.70 55.57 3kyc h MET 352 Cb 0.76 0.27 -0.03 0.00 -0.55 0.00 0.00 31.60 32.06 3kyc h MET 352 CO 0.06 1.35 0.37 -0.44 0.14 0.00 0.00 176.91 178.40 3kyc h ASP 353 N -0.03 0.56 -0.47 1.39 3.32 -0.77 -0.11 116.42 120.31 3kyc h ASP 353 Ca -0.20 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.78 3kyc h ASP 353 Cb 1.92 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 41.32 3kyc h ASP 353 CO 0.22 0.39 0.04 0.15 -1.72 0.00 0.00 179.24 178.32 3kyc h PHE 354 N 0.65 0.87 0.05 4.55 3.57 -0.87 0.29 116.94 126.05 3kyc h PHE 354 Ca 0.23 -0.14 -0.23 0.00 3.53 0.00 0.00 57.97 61.36 3kyc h PHE 354 Cb 0.09 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 3kyc h PHE 354 CO -0.00 0.82 -1.05 0.28 -2.23 0.00 0.00 178.31 176.13 3kyc h VAL 355 N 0.67 1.59 -0.55 1.41 2.07 -1.27 -1.57 116.25 118.60 3kyc h VAL 355 Ca 0.14 -3.10 -0.08 0.00 0.82 0.00 0.00 66.70 64.48 3kyc h VAL 355 Cb 0.45 2.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.98 3kyc h VAL 355 CO 0.02 0.90 0.04 0.74 0.02 0.00 0.00 177.57 179.28 3kyc h THR 356 N 0.05 1.26 0.22 2.57 2.02 -0.85 -1.20 112.91 116.99 3kyc h THR 356 Ca -0.06 -1.05 -0.33 0.00 0.77 0.00 0.00 66.41 65.73 3kyc h THR 356 Cb 1.77 0.87 0.03 0.00 -1.74 0.00 0.00 68.15 69.07 3kyc h THR 356 CO 0.16 0.38 -1.54 0.77 0.37 0.00 0.00 175.52 175.65 3kyc h SER 357 N 0.82 0.72 -0.32 4.18 4.64 -0.83 -2.30 113.55 120.46 3kyc h SER 357 Ca 0.16 -0.85 -0.02 0.00 -0.47 0.00 0.00 61.79 60.61 3kyc h SER 357 Cb 0.48 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 3kyc h SER 357 CO 0.02 1.69 0.13 0.00 -0.87 0.00 0.00 176.83 177.79 3kyc h ALA 358 N 0.21 0.41 -0.47 5.18 0.00 -1.32 -1.89 119.26 121.38 3kyc h ALA 358 Ca -0.27 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 3kyc h ALA 358 Cb 2.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.77 3kyc h ALA 358 CO 0.24 0.01 0.23 0.00 0.00 0.00 0.00 179.25 179.73 3kyc h ALA 359 N 0.97 0.60 -0.78 0.00 0.00 -1.23 -0.83 119.26 118.01 3kyc h ALA 359 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kyc h ALA 359 Cb 0.18 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3kyc h ALA 359 CO -0.01 0.16 0.49 -0.91 0.00 0.00 0.00 179.25 178.98 3kyc h ASN 360 N 0.61 0.91 -0.47 0.00 2.35 -1.27 0.36 115.58 118.07 3kyc h ASN 360 Ca 0.16 -0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.79 3kyc h ASN 360 Cb 0.10 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 3kyc h ASN 360 CO -0.02 0.69 0.00 -0.07 -1.65 0.00 0.00 177.43 176.37 3kyc h LEU 361 N 1.06 0.81 -0.50 1.61 3.38 -1.03 -0.88 115.31 119.76 3kyc h LEU 361 Ca 0.28 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3kyc h LEU 361 Cb -0.08 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 3kyc h LEU 361 CO -0.06 0.92 0.29 -0.09 0.09 0.00 0.00 178.44 179.60 3kyc h ARG 362 N 0.68 0.56 0.00 1.13 1.12 -0.48 -1.56 114.38 115.85 3kyc h ARG 362 Ca 0.13 -0.03 0.03 0.00 -1.11 0.00 0.00 59.98 59.00 3kyc h ARG 362 Cb 0.50 -0.13 -0.05 0.00 -0.01 0.00 0.00 29.97 30.29 3kyc h ARG 362 CO 0.02 0.37 -0.29 0.52 -3.11 0.00 0.00 179.97 177.48 3kyc h MET 363 N 0.58 -0.43 0.26 0.20 2.86 0.17 -2.64 114.93 115.94 3kyc h MET 363 Ca 0.20 0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.88 3kyc h MET 363 Cb 0.04 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 3kyc h MET 363 CO -0.10 -0.28 -0.36 1.25 1.06 0.00 0.00 176.91 178.48 3kyc h HIS 364 N -0.44 -0.98 -1.01 -0.22 -0.00 -0.98 -1.39 115.15 110.13 3kyc h HIS 364 Ca 0.06 0.01 0.36 0.00 -0.00 0.00 0.00 60.37 60.81 3kyc h HIS 364 Cb 0.53 0.40 -0.16 0.00 -0.00 0.00 0.00 27.41 28.17 3kyc h HIS 364 CO -0.32 -0.49 0.57 0.82 -0.00 0.00 0.00 177.93 178.50 3kyc h ILE 365 N -0.68 0.17 -0.53 6.26 2.04 -1.13 0.40 117.51 124.05 3kyc h ILE 365 Ca -0.00 -0.06 -0.09 0.00 1.00 0.00 0.00 64.86 65.70 3kyc h ILE 365 Cb 0.65 -0.03 -0.05 0.00 -0.74 0.00 0.00 36.82 36.65 3kyc h ILE 365 CO -0.12 0.03 0.11 0.49 0.00 0.00 0.00 178.15 178.66 3kyc n PHE 366 N -5.13 1.82 -2.84 1.37 3.01 -0.65 -1.44 117.46 113.61 3kyc n PHE 366 Ca 0.34 -0.79 -0.20 0.00 1.01 0.00 0.00 57.45 57.82 3kyc n PHE 366 Cb 1.12 -0.51 0.03 0.00 -0.01 0.00 0.00 39.48 40.11 3kyc n PHE 366 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3kyc n SER 367 N 0.21 -5.58 -4.76 4.37 7.64 0.14 -5.00 113.62 110.64 3kyc n SER 367 Ca 0.27 -0.22 -0.27 0.00 1.01 0.00 0.00 58.87 59.66 3kyc n SER 367 Cb 1.09 -4.45 -0.06 0.00 -1.01 0.00 0.00 64.21 59.78 3kyc n SER 367 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3kyc s MET 368 N -5.46 2.76 0.22 1.43 -1.94 -0.62 -5.00 119.30 110.70 3kyc s MET 368 Ca 0.23 -0.88 -0.30 0.00 -1.71 0.00 0.00 55.69 53.03 3kyc s MET 368 Cb -0.10 -2.59 -0.08 0.00 2.01 0.00 0.00 34.83 34.06 3kyc s MET 368 CO 0.28 0.50 1.11 -0.80 -0.01 0.00 0.00 175.02 176.09 3kyc s ASN 369 N -2.87 7.26 0.62 3.03 0.01 -1.26 -3.92 114.94 117.80 3kyc s ASN 369 Ca 0.29 2.17 -0.18 0.00 -0.71 0.00 0.00 52.86 54.44 3kyc s ASN 369 Cb -0.10 -2.61 -0.02 0.00 0.41 0.00 0.00 41.25 38.92 3kyc s ASN 369 CO 0.22 -0.20 1.19 -0.04 -1.51 0.00 0.00 177.10 176.76 3kyc s MET 370 N -0.79 2.86 0.27 -0.60 -1.94 -1.26 -4.94 119.30 112.90 3kyc s MET 370 Ca 0.48 1.75 0.08 0.00 -1.71 0.00 0.00 55.69 56.29 3kyc s MET 370 Cb -0.31 -1.92 -0.04 0.00 2.01 0.00 0.00 34.83 34.57 3kyc s MET 370 CO 0.37 -1.27 0.11 0.15 -0.01 0.00 0.00 175.02 174.37 3kyc s LYS 371 N -3.50 2.61 0.60 2.03 1.02 -1.26 -4.98 119.74 116.25 3kyc s LYS 371 Ca 0.75 -1.25 -0.09 0.00 0.02 0.00 0.00 55.97 55.40 3kyc s LYS 371 Cb -0.28 -2.36 -0.02 0.00 -0.52 0.00 0.00 37.83 34.65 3kyc s LYS 371 CO 0.35 0.36 0.96 -1.54 -0.92 0.00 0.00 175.35 174.57 3kyc s SER 372 N -3.77 5.96 0.30 2.83 1.04 -1.26 -4.84 113.70 113.95 3kyc s SER 372 Ca 0.33 1.12 0.03 0.00 0.48 0.00 0.00 55.95 57.90 3kyc s SER 372 Cb -0.07 -2.16 0.60 0.00 0.10 0.00 0.00 66.02 64.49 3kyc s SER 372 CO 0.23 -0.94 1.85 -0.09 0.98 0.00 0.00 173.24 175.27 3kyc h ARG 373 N -0.24 0.92 -0.41 4.02 2.43 -1.74 0.30 114.38 119.67 3kyc h ARG 373 Ca -0.45 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3kyc h ARG 373 Cb 1.22 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 3kyc h ARG 373 CO 0.62 0.61 0.26 0.35 -1.51 0.00 0.00 179.97 180.30 3kyc h PHE 374 N 0.95 0.52 -0.28 2.20 3.57 -1.38 0.61 116.94 123.13 3kyc h PHE 374 Ca 0.48 0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.80 3kyc h PHE 374 Cb 0.51 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.07 3kyc h PHE 374 CO -0.00 0.35 -0.57 -0.44 -2.23 0.00 0.00 178.31 175.41 3kyc h ASP 375 N 0.55 0.98 -0.64 0.41 3.32 -1.30 -2.27 116.42 117.46 3kyc h ASP 375 Ca 0.15 -0.54 -0.06 0.00 0.02 0.00 0.00 57.03 56.61 3kyc h ASP 375 Cb -0.04 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.20 3kyc h ASP 375 CO -0.03 1.34 0.18 0.40 -1.72 0.00 0.00 179.24 179.41 3kyc h ILE 376 N 0.66 1.25 -0.18 0.35 2.04 -0.11 -0.96 117.51 120.55 3kyc h ILE 376 Ca 0.01 -0.88 0.02 0.00 1.00 0.00 0.00 64.86 65.00 3kyc h ILE 376 Cb 1.18 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 3kyc h ILE 376 CO 0.13 0.34 0.06 0.50 0.00 0.00 0.00 178.15 179.17 3kyc h LYS 377 N 0.94 0.14 -0.24 2.37 3.64 0.31 0.61 116.57 124.33 3kyc h LYS 377 Ca 0.21 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.64 3kyc h LYS 377 Cb 0.32 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.03 3kyc h LYS 377 CO -0.00 0.09 -0.30 1.03 -2.27 0.00 0.00 179.45 178.00 3kyc h SER 378 N 0.14 -0.95 -0.01 4.20 0.87 -1.12 0.28 113.55 116.96 3kyc h SER 378 Ca 0.08 0.16 -0.18 0.00 -1.23 0.00 0.00 61.79 60.62 3kyc h SER 378 Cb 0.05 0.43 -0.00 0.00 -0.44 0.00 0.00 62.40 62.44 3kyc h SER 378 CO -0.09 -0.32 -0.60 0.24 -0.53 0.00 0.00 176.83 175.52 3kyc h MET 379 N -0.31 0.61 -0.22 2.24 2.86 -0.26 -0.93 114.93 118.92 3kyc h MET 379 Ca 0.13 -0.42 -0.16 0.00 -2.06 0.00 0.00 59.70 57.19 3kyc h MET 379 Cb 0.52 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.24 3kyc h MET 379 CO -0.42 1.04 -0.50 0.00 1.06 0.00 0.00 176.91 178.09 3kyc h ALA 380 N 0.87 0.36 -0.00 6.32 0.00 0.31 -3.17 119.26 123.95 3kyc h ALA 380 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3kyc h ALA 380 Cb 1.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3kyc h ALA 380 CO 0.12 0.54 -0.11 0.41 0.00 0.00 0.00 179.25 180.20 3kyc n GLY 381 N 0.45 -1.03 3.65 0.00 0.00 0.99 -4.92 105.19 104.33 3kyc n GLY 381 Ca -0.06 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 3kyc n GLY 381 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kyc n ASN 382 N -1.05 -4.21 -4.72 1.61 3.02 -0.38 -4.90 115.26 104.64 3kyc n ASN 382 Ca 0.14 -0.60 -0.43 0.00 -0.03 0.00 0.00 54.58 53.65 3kyc n ASN 382 Cb 0.28 -3.42 -0.02 0.00 -0.61 0.00 0.00 39.78 36.00 3kyc n ASN 382 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3kyc n ILE 383 N -4.29 0.58 -3.99 2.41 5.41 -1.07 -4.98 119.36 113.42 3kyc n ILE 383 Ca 0.01 -0.14 -0.35 0.00 1.00 0.00 0.00 62.75 63.27 3kyc n ILE 383 Cb 0.53 -1.84 -0.10 0.00 -0.71 0.00 0.00 39.64 37.52 3kyc n ILE 383 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3kyc s ILE 384 N 0.45 4.64 0.48 1.39 1.01 -1.26 -4.97 121.20 122.94 3kyc s ILE 384 Ca 0.70 -0.08 -0.22 0.00 0.00 0.00 0.00 60.65 61.04 3kyc s ILE 384 Cb -0.55 -3.10 -0.07 0.00 0.01 0.00 0.00 42.46 38.76 3kyc s ILE 384 CO 0.43 0.44 1.19 -2.84 0.00 0.00 0.00 174.94 174.15 3kyc s PRO 385 N 0.62 3.61 -0.23 2.79 0.02 -1.26 -4.90 135.00 135.64 3kyc s PRO 385 Ca 0.03 1.81 -0.21 0.00 0.02 0.00 0.00 61.00 62.65 3kyc s PRO 385 Cb -0.13 -2.33 0.06 0.00 0.02 0.00 0.00 34.50 32.12 3kyc s PRO 385 CO 0.02 -0.69 0.62 0.00 -0.33 0.00 0.00 177.00 176.62 3kyc s ALA 386 N -1.54 -1.53 0.25 -1.55 0.00 -1.26 -0.38 121.76 115.75 3kyc s ALA 386 Ca 0.66 1.78 0.02 0.00 0.00 0.00 0.00 51.96 54.42 3kyc s ALA 386 Cb -0.30 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.75 3kyc s ALA 386 CO 0.35 -0.30 0.18 0.96 0.00 0.00 0.00 175.76 176.96 3kyc s ILE 387 N 0.44 0.03 -0.03 0.00 -4.36 -1.26 -4.95 121.20 111.07 3kyc s ILE 387 Ca -0.01 -2.00 -0.26 0.00 -0.26 0.00 0.00 60.65 58.12 3kyc s ILE 387 Cb -0.04 -2.50 -0.21 0.00 1.25 0.00 0.00 42.46 40.96 3kyc s ILE 387 CO -0.01 0.00 1.25 0.00 0.24 0.00 0.00 174.94 176.42 3kyc h ALA 388 N 2.43 -0.00 -0.49 2.27 0.00 -1.88 -3.32 119.26 118.27 3kyc h ALA 388 Ca -0.32 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 3kyc h ALA 388 Cb 1.24 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3kyc h ALA 388 CO 0.47 -0.25 0.29 1.79 0.00 0.00 0.00 179.25 181.56 3kyc h THR 389 N -0.51 1.14 -0.41 0.00 1.35 -1.96 -0.50 112.91 112.03 3kyc h THR 389 Ca -0.00 -0.33 -0.06 0.00 -0.55 0.00 0.00 66.41 65.48 3kyc h THR 389 Cb 0.51 0.45 -0.02 0.00 -1.73 0.00 0.00 68.15 67.36 3kyc h THR 389 CO 0.00 0.15 0.03 0.74 -0.25 0.00 0.00 175.52 176.20 3kyc h THR 390 N 0.68 1.25 -0.36 6.82 2.02 -1.84 -0.35 112.91 121.13 3kyc h THR 390 Ca 0.18 -0.94 -0.13 0.00 0.77 0.00 0.00 66.41 66.29 3kyc h THR 390 Cb -0.02 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 3kyc h THR 390 CO -0.03 0.32 -0.28 0.78 0.37 0.00 0.00 175.52 176.67 3kyc h ASN 391 N 0.53 0.79 -0.39 4.18 2.35 -1.50 -0.67 115.58 120.87 3kyc h ASN 391 Ca 0.12 -0.31 0.01 0.00 -0.55 0.00 0.00 56.30 55.56 3kyc h ASN 391 Cb 0.42 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 3kyc h ASN 391 CO 0.01 1.02 0.26 0.00 -1.65 0.00 0.00 177.43 177.08 3kyc h ALA 392 N 1.03 0.50 0.04 -0.83 0.00 -0.75 0.23 119.26 119.49 3kyc h ALA 392 Ca 0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kyc h ALA 392 Cb 0.81 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3kyc h ALA 392 CO 0.07 -0.05 -0.02 0.28 0.00 0.00 0.00 179.25 179.53 3kyc h VAL 393 N 0.53 0.99 -0.49 0.00 2.07 -0.81 -1.17 116.25 117.36 3kyc h VAL 393 Ca 0.15 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.57 3kyc h VAL 393 Cb -0.06 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 3kyc h VAL 393 CO -0.04 0.03 0.31 0.40 0.02 0.00 0.00 177.57 178.29 3kyc h ILE 394 N -0.11 1.08 0.00 4.57 5.03 -0.67 -1.50 117.51 125.91 3kyc h ILE 394 Ca -0.01 -0.21 -0.05 0.00 -0.12 0.00 0.00 64.86 64.47 3kyc h ILE 394 Cb 0.09 0.41 -0.01 0.00 -3.03 0.00 0.00 36.82 34.28 3kyc h ILE 394 CO 0.01 0.11 -0.24 0.00 -0.68 0.00 0.00 178.15 177.35 3kyc h ALA 395 N 1.21 1.51 0.50 1.87 0.00 -0.38 -0.15 119.26 123.81 3kyc h ALA 395 Ca 0.19 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3kyc h ALA 395 Cb -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kyc h ALA 395 CO -0.07 0.30 -0.24 0.78 0.00 0.00 0.00 179.25 180.02 3kyc h GLY 396 N 0.82 -0.70 0.19 0.00 0.00 -0.46 -2.78 103.07 100.15 3kyc h GLY 396 Ca -0.00 0.26 0.22 0.00 0.00 0.00 0.00 47.33 47.80 3kyc h GLY 396 CO 0.03 -0.25 0.62 1.41 0.00 0.00 0.00 176.54 178.35 3kyc h LEU 397 N -0.88 0.43 0.05 3.11 3.38 -0.34 -2.40 115.31 118.66 3kyc h LEU 397 Ca -0.07 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3kyc h LEU 397 Cb 0.59 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 3kyc h LEU 397 CO 0.11 0.15 -0.05 0.40 0.09 0.00 0.00 178.44 179.15 3kyc h ILE 398 N 0.42 0.90 -0.57 1.22 2.04 -0.79 -0.89 117.51 119.84 3kyc h ILE 398 Ca 0.50 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.32 3kyc h ILE 398 Cb 1.24 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 3kyc h ILE 398 CO -0.21 0.00 0.18 0.58 0.00 0.00 0.00 178.15 178.70 3kyc h VAL 399 N -0.11 1.24 -0.42 1.67 2.07 -1.26 0.16 116.25 119.60 3kyc h VAL 399 Ca 0.00 -0.80 0.05 0.00 0.82 0.00 0.00 66.70 66.78 3kyc h VAL 399 Cb 0.10 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 3kyc h VAL 399 CO -0.01 0.30 0.14 -0.07 0.02 0.00 0.00 177.57 177.95 3kyc h LEU 400 N 0.80 0.14 -0.67 2.57 3.38 -1.29 -0.82 115.31 119.41 3kyc h LEU 400 Ca 0.18 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.11 3kyc h LEU 400 Cb 0.27 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3kyc h LEU 400 CO -0.01 0.11 0.01 -0.33 0.09 0.00 0.00 178.44 178.31 3kyc h GLU 401 N 0.30 1.04 0.00 1.13 4.39 -0.87 -2.72 114.58 117.84 3kyc h GLU 401 Ca 0.20 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.58 3kyc h GLU 401 Cb 0.19 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3kyc h GLU 401 CO -0.21 1.01 0.00 0.41 -1.16 0.00 0.00 179.01 179.06 3kyc n GLY 402 N -0.46 -3.33 0.34 -3.84 0.00 0.52 -1.64 105.19 96.79 3kyc n GLY 402 Ca 0.03 0.66 -0.05 0.00 0.00 0.00 0.00 46.02 46.66 3kyc n GLY 402 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kyc n LEU 403 N -2.28 -0.71 -0.35 0.99 4.77 -0.36 0.28 117.00 119.34 3kyc n LEU 403 Ca 0.00 1.51 0.15 0.00 -0.03 0.00 0.00 56.01 57.65 3kyc n LEU 403 Cb 0.00 -0.28 0.36 0.00 -2.33 0.00 0.00 43.42 41.17 3kyc n LEU 403 CO 0.00 -1.30 1.19 0.11 -1.33 0.00 0.00 177.39 176.05 3kyc h LYS 404 N 0.00 0.66 -0.52 3.23 1.57 -1.17 0.63 116.57 120.97 3kyc h LYS 404 Ca 0.23 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.87 3kyc h LYS 404 Cb 0.44 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3kyc h LYS 404 CO -0.83 0.43 -0.08 0.82 -0.57 0.00 0.00 179.45 179.22 3kyc h ILE 405 N 0.68 1.27 0.00 1.86 2.04 0.79 0.20 117.51 124.35 3kyc h ILE 405 Ca 0.60 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 65.25 3kyc h ILE 405 Cb 1.05 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 3kyc h ILE 405 CO -0.41 0.43 0.00 0.18 0.00 0.00 0.00 178.15 178.35 3kyc n LEU 406 N -4.22 0.00 -1.31 1.44 4.77 0.17 -2.58 117.00 115.27 3kyc n LEU 406 Ca 0.01 0.30 -0.04 0.00 -0.03 0.00 0.00 56.01 56.25 3kyc n LEU 406 Cb 0.38 -0.30 0.12 0.00 -2.33 0.00 0.00 43.42 41.28 3kyc n LEU 406 CO 0.44 -0.00 0.24 -1.54 -1.33 0.00 0.00 177.39 175.21 3kyc n SER 407 N -1.30 2.66 -0.91 -1.43 3.41 -0.90 -4.87 113.62 110.27 3kyc n SER 407 Ca 0.14 -3.52 -0.12 0.00 -0.26 0.00 0.00 58.87 55.11 3kyc n SER 407 Cb 0.25 -0.44 -0.05 0.00 -0.26 0.00 0.00 64.21 63.71 3kyc n SER 407 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kyc n GLY 408 N -0.78 1.12 1.59 5.00 0.00 -1.06 -4.84 105.19 106.22 3kyc n GLY 408 Ca 0.25 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.28 3kyc n GLY 408 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kyc n LYS 409 N -0.92 3.52 -0.34 1.61 5.02 0.70 -4.46 118.16 123.29 3kyc n LYS 409 Ca -0.12 -2.29 0.29 0.00 -2.02 0.00 0.00 58.31 54.17 3kyc n LYS 409 Cb 0.60 -2.03 0.54 0.00 -0.02 0.00 0.00 35.03 34.12 3kyc n LYS 409 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3kyc h ILE 410 N 2.53 0.16 0.00 -0.18 2.04 -1.79 2.92 117.51 123.20 3kyc h ILE 410 Ca 0.08 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.89 3kyc h ILE 410 Cb 1.73 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 3kyc h ILE 410 CO 0.44 0.03 0.00 -0.90 0.00 0.00 0.00 178.15 177.73 3kyc n ASP 411 N -5.08 0.00 -0.02 1.72 5.75 -1.26 -2.31 116.55 115.35 3kyc n ASP 411 Ca 0.35 0.32 0.06 0.00 -0.01 0.00 0.00 54.79 55.51 3kyc n ASP 411 Cb 1.16 -0.34 -0.13 0.00 -1.03 0.00 0.00 41.12 40.78 3kyc n ASP 411 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kyc n GLN 412 N -1.34 0.64 -1.38 0.11 6.02 0.98 -5.00 117.38 117.42 3kyc n GLN 412 Ca 0.01 -0.13 -0.45 0.00 -0.01 0.00 0.00 57.00 56.41 3kyc n GLN 412 Cb 0.02 -1.40 -0.02 0.00 1.02 0.00 0.00 30.24 29.86 3kyc n GLN 412 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kyc s ARG 414 N -1.07 1.15 -0.32 0.00 1.81 -1.26 -4.53 118.95 114.73 3kyc s ARG 414 Ca 0.62 -1.41 -0.24 0.00 -1.72 0.00 0.00 55.73 52.99 3kyc s ARG 414 Cb -0.79 0.31 0.00 0.00 -0.45 0.00 0.00 34.95 34.03 3kyc s ARG 414 CO 0.59 -0.39 0.80 0.99 -0.68 0.00 0.00 175.30 176.61 3kyc s THR 415 N -4.06 4.77 -0.25 0.02 2.01 0.05 -4.29 115.64 113.88 3kyc s THR 415 Ca 0.27 1.14 -0.10 0.00 0.31 0.00 0.00 61.69 63.31 3kyc s THR 415 Cb 0.05 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 3kyc s THR 415 CO 0.05 -0.30 0.14 -0.63 -0.69 0.00 0.00 174.62 173.19 3kyc s ILE 416 N 3.02 5.04 -0.02 1.82 -1.09 -0.03 0.64 121.20 130.57 3kyc s ILE 416 Ca 0.33 0.07 -0.14 0.00 -2.23 0.00 0.00 60.65 58.68 3kyc s ILE 416 Cb -0.14 -3.36 -0.05 0.00 -1.58 0.00 0.00 42.46 37.33 3kyc s ILE 416 CO 0.14 0.32 0.38 -0.36 -1.23 0.00 0.00 174.94 174.19 3kyc s PHE 417 N 1.37 3.69 -0.34 3.97 0.40 -0.55 -1.66 117.98 124.87 3kyc s PHE 417 Ca 0.06 0.93 -0.13 0.00 -0.60 0.00 0.00 56.93 57.20 3kyc s PHE 417 Cb -0.15 -2.27 -0.01 0.00 0.51 0.00 0.00 43.02 41.09 3kyc s PHE 417 CO 0.06 0.61 0.23 -1.17 0.70 0.00 0.00 175.22 175.66 3kyc s LEU 418 N -0.91 4.51 0.38 -0.37 2.96 0.09 -1.22 118.68 124.12 3kyc s LEU 418 Ca 0.23 -0.46 -0.05 0.00 -0.22 0.00 0.00 54.13 53.63 3kyc s LEU 418 Cb -0.16 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.36 3kyc s LEU 418 CO 0.12 -0.24 0.66 0.20 -1.32 0.00 0.00 176.35 175.77 3kyc s ASN 419 N 1.71 6.37 0.04 3.68 0.01 0.05 -3.65 114.94 123.15 3kyc s ASN 419 Ca 0.06 0.79 -0.17 0.00 -0.71 0.00 0.00 52.86 52.83 3kyc s ASN 419 Cb -0.17 -2.18 -0.24 0.00 0.41 0.00 0.00 41.25 39.06 3kyc s ASN 419 CO 0.10 -0.37 1.13 0.50 -1.51 0.00 0.00 177.10 176.96 3kyc h LYS 420 N 0.96 0.57 -5.46 -0.60 3.64 -1.87 -3.47 116.57 110.34 3kyc h LYS 420 Ca -0.48 -0.63 -0.43 0.00 -1.27 0.00 0.00 60.65 57.84 3kyc h LYS 420 Cb 1.20 0.19 -0.21 0.00 -0.41 0.00 0.00 32.23 33.00 3kyc h LYS 420 CO 0.63 1.24 -0.78 -0.65 -2.27 0.00 0.00 179.45 177.62 3kyc s GLN 421 N -3.21 0.89 0.33 1.90 -0.21 -1.26 -5.13 119.66 112.97 3kyc s GLN 421 Ca -0.11 -1.02 -0.27 0.00 0.02 0.00 0.00 55.36 53.97 3kyc s GLN 421 Cb 0.05 -0.91 -0.09 0.00 1.00 0.00 0.00 33.01 33.06 3kyc s GLN 421 CO 0.88 0.20 1.09 -2.14 -2.12 0.00 0.00 175.29 173.20 3kyc s PRO 422 N -1.90 4.44 1.04 2.91 0.02 -1.26 -4.76 135.00 135.50 3kyc s PRO 422 Ca 0.01 1.71 -0.15 0.00 0.02 0.00 0.00 61.00 62.59 3kyc s PRO 422 Cb -0.09 -2.94 0.21 0.00 0.02 0.00 0.00 34.50 31.70 3kyc s PRO 422 CO 0.03 0.06 1.13 0.54 -0.33 0.00 0.00 177.00 178.43 3kyc s ASN 423 N -1.12 2.30 0.34 2.53 2.20 0.05 -4.75 114.94 116.51 3kyc s ASN 423 Ca 0.50 0.85 0.05 0.00 -0.94 0.00 0.00 52.86 53.32 3kyc s ASN 423 Cb -0.29 -1.30 0.70 0.00 -2.00 0.00 0.00 41.25 38.37 3kyc s ASN 423 CO 0.37 -3.29 1.93 -0.65 -2.94 0.00 0.00 177.10 172.51 3kyc h PRO 424 N -2.01 0.79 -0.96 3.55 0.11 -1.96 0.37 132.00 131.89 3kyc h PRO 424 Ca -0.50 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.51 3kyc h PRO 424 Cb 1.31 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 3kyc h PRO 424 CO 0.49 0.52 0.07 0.54 -0.21 0.00 0.00 178.00 179.41 3kyc n ARG 425 N -4.50 1.47 -1.84 1.05 3.00 -1.26 -4.86 116.66 109.72 3kyc n ARG 425 Ca 0.13 -0.59 -0.10 0.00 -0.01 0.00 0.00 57.85 57.28 3kyc n ARG 425 Cb 0.27 -1.41 -0.02 0.00 0.00 0.00 0.00 32.46 31.30 3kyc n ARG 425 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3kyc n LYS 426 N 0.16 -0.75 -4.05 5.56 5.02 0.13 -5.02 118.16 119.20 3kyc n LYS 426 Ca 0.09 0.62 -0.34 0.00 -2.02 0.00 0.00 58.31 56.65 3kyc n LYS 426 Cb 0.60 -4.62 -0.10 0.00 -0.02 0.00 0.00 35.03 30.89 3kyc n LYS 426 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3kyc s LYS 427 N -3.86 3.89 -0.26 1.97 1.02 -1.22 -4.73 119.74 116.55 3kyc s LYS 427 Ca 0.00 -0.35 0.00 0.00 0.02 0.00 0.00 55.97 55.64 3kyc s LYS 427 Cb 0.00 -3.17 -0.17 0.00 -0.52 0.00 0.00 37.83 33.97 3kyc s LYS 427 CO 0.00 0.31 -0.22 -0.11 -0.92 0.00 0.00 175.35 174.41 3kyc n LEU 428 N 3.40 2.88 -4.64 3.17 7.94 -1.26 -0.77 117.00 127.72 3kyc n LEU 428 Ca -0.17 -0.09 -0.36 0.00 -1.11 0.00 0.00 56.01 54.29 3kyc n LEU 428 Cb 0.52 -0.91 -0.10 0.00 0.53 0.00 0.00 43.42 43.47 3kyc n LEU 428 CO 0.35 0.90 -0.21 -0.76 -1.11 0.00 0.00 177.39 176.56 3kyc s LEU 429 N -6.63 3.97 -0.39 -1.96 1.43 -1.26 -0.77 118.68 113.08 3kyc s LEU 429 Ca -0.35 0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 52.82 3kyc s LEU 429 Cb 0.09 -2.04 0.10 0.00 0.03 0.00 0.00 46.19 44.38 3kyc s LEU 429 CO 0.59 0.11 0.17 -0.69 0.23 0.00 0.00 176.35 176.76 3kyc s VAL 430 N 0.80 3.10 0.07 -1.59 1.01 -0.36 -4.95 120.40 118.48 3kyc s VAL 430 Ca 0.06 -2.06 -0.30 0.00 0.00 0.00 0.00 61.98 59.68 3kyc s VAL 430 Cb -0.13 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 3kyc s VAL 430 CO 0.02 -0.64 1.00 -2.16 0.00 0.00 0.00 175.10 173.33 3kyc s PRO 431 N 1.11 4.61 0.07 2.72 0.04 -1.26 -1.48 135.00 140.80 3kyc s PRO 431 Ca 0.08 1.49 0.04 0.00 0.04 0.00 0.00 61.00 62.65 3kyc s PRO 431 Cb -0.22 -3.40 -0.03 0.00 0.04 0.00 0.00 34.50 30.89 3kyc s PRO 431 CO -0.05 0.05 -0.13 0.00 0.04 0.00 0.00 177.00 176.91 3kyc s ALA 433 N -1.32 3.72 0.61 0.00 0.00 -1.26 -0.77 121.76 122.73 3kyc s ALA 433 Ca -0.04 1.29 -0.18 0.00 0.00 0.00 0.00 51.96 53.03 3kyc s ALA 433 Cb -0.10 -3.70 -0.06 0.00 0.00 0.00 0.00 23.12 19.27 3kyc s ALA 433 CO 0.02 -1.07 0.82 1.28 0.00 0.00 0.00 175.76 176.81 3kyc n LEU 434 N 5.29 2.80 -4.65 0.00 4.77 -1.26 -4.74 117.00 119.21 3kyc n LEU 434 Ca 0.16 0.77 -0.26 0.00 -0.03 0.00 0.00 56.01 56.65 3kyc n LEU 434 Cb 0.40 -1.32 -0.08 0.00 -2.33 0.00 0.00 43.42 40.09 3kyc n LEU 434 CO 0.63 -2.27 -0.34 -1.81 -1.33 0.00 0.00 177.39 172.27 3kyc s ASP 435 N -1.27 4.67 0.66 -1.43 1.11 -1.26 -5.04 116.67 114.11 3kyc s ASP 435 Ca 0.74 -0.47 -0.04 0.00 0.18 0.00 0.00 52.55 52.96 3kyc s ASP 435 Cb -0.42 -0.95 0.06 0.00 1.07 0.00 0.00 42.92 42.69 3kyc s ASP 435 CO 0.49 0.07 0.94 -2.16 1.18 0.00 0.00 175.17 175.69 3kyc s PRO 436 N -3.11 2.23 0.22 8.23 0.04 -1.26 -0.94 135.00 140.39 3kyc s PRO 436 Ca 0.28 -0.50 -0.32 0.00 0.04 0.00 0.00 61.00 60.50 3kyc s PRO 436 Cb -0.09 -2.28 -0.12 0.00 0.04 0.00 0.00 34.50 32.05 3kyc s PRO 436 CO 0.19 -1.11 1.65 -2.30 0.04 0.00 0.00 177.00 175.47 3kyc n PRO 437 N -2.74 2.61 -2.76 0.56 -0.02 -1.24 -3.76 135.00 127.65 3kyc n PRO 437 Ca 0.09 0.94 -0.42 0.00 -2.02 0.00 0.00 63.50 62.08 3kyc n PRO 437 Cb 0.60 -2.75 -0.03 0.00 -0.02 0.00 0.00 33.50 31.30 3kyc n PRO 437 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3kyc s ASN 438 N 0.93 7.01 0.61 2.55 2.47 -1.26 -4.90 114.94 122.35 3kyc s ASN 438 Ca 0.73 1.25 0.33 0.00 0.42 0.00 0.00 52.86 55.59 3kyc s ASN 438 Cb -0.54 -2.50 1.96 0.00 -1.45 0.00 0.00 41.25 38.72 3kyc s ASN 438 CO 0.38 -0.58 2.28 -0.65 -3.72 0.00 0.00 177.10 174.81 3kyc h PRO 439 N 7.49 0.00 -0.64 0.43 0.11 -1.97 -0.28 132.00 137.14 3kyc h PRO 439 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3kyc h PRO 439 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3kyc h PRO 439 CO 0.92 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.80 3kyc n ASN 440 N -3.68 4.55 -4.74 -2.05 3.02 -1.26 -4.82 115.26 106.28 3kyc n ASN 440 Ca -0.03 -2.56 -0.42 0.00 -0.03 0.00 0.00 54.58 51.54 3kyc n ASN 440 Cb 0.08 -0.59 -0.03 0.00 -0.61 0.00 0.00 39.78 38.63 3kyc n ASN 440 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kyc n TYR 442 N 2.90 0.05 -0.02 0.00 0.18 -1.26 -3.80 117.16 115.20 3kyc n TYR 442 Ca 0.09 -0.02 -0.07 0.00 1.88 0.00 0.00 57.90 59.78 3kyc n TYR 442 Cb 0.40 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.33 3kyc n TYR 442 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 3kyc n VAL 443 N -0.43 1.09 0.96 -3.48 0.31 -1.26 -4.61 118.33 110.91 3kyc n VAL 443 Ca 0.18 0.14 0.11 0.00 -0.01 0.00 0.00 64.34 64.76 3kyc n VAL 443 Cb 0.19 -1.81 0.11 0.00 -0.91 0.00 0.00 33.84 31.42 3kyc n VAL 443 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kyc s ALA 445 N -3.02 0.27 -0.04 0.00 0.00 -1.25 -5.00 121.76 112.72 3kyc s ALA 445 Ca 0.09 -0.60 -0.15 0.00 0.00 0.00 0.00 51.96 51.30 3kyc s ALA 445 Cb 0.17 -3.03 -0.09 0.00 0.00 0.00 0.00 23.12 20.17 3kyc s ALA 445 CO 0.76 -3.58 0.64 1.03 0.00 0.00 0.00 175.76 174.61 3kyc h SER 446 N -2.52 -0.45 -3.23 0.00 0.87 -1.90 -3.36 113.55 102.96 3kyc h SER 446 Ca -0.51 -0.00 -0.63 0.00 -1.23 0.00 0.00 61.79 59.41 3kyc h SER 446 Cb 1.32 0.12 -0.41 0.00 -0.44 0.00 0.00 62.40 62.99 3kyc h SER 446 CO 0.44 -0.01 -0.53 -0.54 -0.53 0.00 0.00 176.83 175.66 3kyc s LYS 447 N -3.33 2.50 0.66 2.24 -0.14 -1.26 -5.09 119.74 115.33 3kyc s LYS 447 Ca -0.08 -3.29 -0.18 0.00 -1.36 0.00 0.00 55.97 51.07 3kyc s LYS 447 Cb 0.01 -3.47 -0.00 0.00 -1.68 0.00 0.00 37.83 32.69 3kyc s LYS 447 CO 0.25 -1.27 1.28 -1.25 -0.76 0.00 0.00 175.35 173.60 3kyc s PRO 448 N -1.35 2.48 -0.26 -1.68 0.04 -1.26 -4.92 135.00 128.05 3kyc s PRO 448 Ca 0.24 2.03 -0.20 0.00 0.04 0.00 0.00 61.00 63.12 3kyc s PRO 448 Cb -0.06 -1.84 0.07 0.00 0.04 0.00 0.00 34.50 32.71 3kyc s PRO 448 CO -0.15 -1.64 0.67 -2.00 0.04 0.00 0.00 177.00 173.92 3kyc s GLU 449 N -3.45 0.74 0.18 4.56 2.12 -1.26 -2.75 118.70 118.84 3kyc s GLU 449 Ca 0.82 1.06 0.04 0.00 0.36 0.00 0.00 54.97 57.24 3kyc s GLU 449 Cb -0.36 0.26 -0.05 0.00 0.26 0.00 0.00 34.13 34.24 3kyc s GLU 449 CO 0.40 -0.12 -0.05 0.14 -0.54 0.00 0.00 175.26 175.09 3kyc s VAL 450 N 0.96 1.04 -0.10 3.70 -7.23 -0.30 -4.84 120.40 113.63 3kyc s VAL 450 Ca -0.05 -2.04 0.02 0.00 -1.81 0.00 0.00 61.98 58.11 3kyc s VAL 450 Cb -0.05 -2.08 -0.01 0.00 0.56 0.00 0.00 36.38 34.80 3kyc s VAL 450 CO -0.09 -0.55 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.10 3kyc s THR 451 N -3.41 2.79 -0.05 5.32 2.01 -1.26 0.03 115.64 121.07 3kyc s THR 451 Ca 0.22 -0.78 0.04 0.00 0.31 0.00 0.00 61.69 61.49 3kyc s THR 451 Cb 0.04 -2.13 -0.00 0.00 0.01 0.00 0.00 72.50 70.43 3kyc s THR 451 CO 0.04 0.55 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.65 3kyc s VAL 452 N 0.04 1.51 -0.21 3.82 1.01 0.20 -1.14 120.40 125.63 3kyc s VAL 452 Ca -0.06 -0.75 -0.07 0.00 0.00 0.00 0.00 61.98 61.10 3kyc s VAL 452 Cb -0.15 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 3kyc s VAL 452 CO 0.05 0.43 0.05 -0.60 0.00 0.00 0.00 175.10 175.03 3kyc s ARG 453 N 0.10 3.80 0.31 2.72 3.52 -0.31 0.69 118.95 129.78 3kyc s ARG 453 Ca -0.06 -0.43 -0.18 0.00 -0.13 0.00 0.00 55.73 54.93 3kyc s ARG 453 Cb -0.13 -3.22 0.03 0.00 -1.56 0.00 0.00 34.95 30.07 3kyc s ARG 453 CO 0.03 0.07 0.71 -0.48 -0.81 0.00 0.00 175.30 174.82 3kyc s LEU 454 N 0.90 -0.10 -0.37 -0.88 2.34 -0.42 -1.83 118.68 118.31 3kyc s LEU 454 Ca 0.03 -0.80 -0.15 0.00 0.06 0.00 0.00 54.13 53.26 3kyc s LEU 454 Cb -0.14 2.64 -0.00 0.00 -0.56 0.00 0.00 46.19 48.13 3kyc s LEU 454 CO 0.02 -1.42 0.36 0.21 -1.06 0.00 0.00 176.35 174.47 3kyc s ASN 455 N -2.98 6.17 0.00 1.48 3.84 -1.19 -0.51 114.94 121.75 3kyc s ASN 455 Ca 0.14 -0.42 0.18 0.00 0.21 0.00 0.00 52.86 52.97 3kyc s ASN 455 Cb -0.05 -2.19 0.96 0.00 -0.55 0.00 0.00 41.25 39.41 3kyc s ASN 455 CO 0.09 -0.40 1.50 0.55 -2.79 0.00 0.00 177.10 176.05 3kyc n VAL 456 N 5.27 0.30 -0.09 -5.21 3.14 -1.26 -1.43 118.33 119.05 3kyc n VAL 456 Ca -0.09 0.08 -0.10 0.00 -2.96 0.00 0.00 64.34 61.27 3kyc n VAL 456 Cb 0.49 -0.79 -0.13 0.00 -1.06 0.00 0.00 33.84 32.34 3kyc n VAL 456 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 3kyc n HIS 457 N -1.18 0.00 0.07 1.45 8.25 -1.26 -0.28 115.22 122.27 3kyc n HIS 457 Ca 0.10 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.36 3kyc n HIS 457 Cb 0.11 -0.87 -0.15 0.00 1.12 0.00 0.00 29.99 30.20 3kyc n HIS 457 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3kyc h LYS 458 N 0.00 0.33 -6.45 -0.41 1.57 -1.87 -3.46 116.57 106.29 3kyc h LYS 458 Ca -0.49 -0.57 -0.54 0.00 -1.87 0.00 0.00 60.65 57.19 3kyc h LYS 458 Cb 2.05 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 34.56 3kyc h LYS 458 CO 0.01 1.23 0.43 0.08 -0.57 0.00 0.00 179.45 180.63 3kyc s VAL 459 N -2.60 4.56 0.36 0.50 1.01 -0.51 -4.95 120.40 118.77 3kyc s VAL 459 Ca -0.12 1.86 0.07 0.00 0.00 0.00 0.00 61.98 63.79 3kyc s VAL 459 Cb 0.06 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.24 3kyc s VAL 459 CO 0.86 0.16 0.46 0.42 0.00 0.00 0.00 175.10 177.00 3kyc s THR 460 N 0.92 3.64 0.19 3.92 -4.23 -1.26 -1.22 115.64 117.59 3kyc s THR 460 Ca 0.54 -1.08 -0.12 0.00 -1.18 0.00 0.00 61.69 59.85 3kyc s THR 460 Cb -0.24 -3.25 0.11 0.00 1.34 0.00 0.00 72.50 70.46 3kyc s THR 460 CO 0.29 -0.11 1.75 0.58 -0.54 0.00 0.00 174.62 176.58 3kyc h VAL 461 N 0.90 0.82 -0.78 2.29 2.07 -1.47 -0.91 116.25 119.15 3kyc h VAL 461 Ca -0.44 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.01 3kyc h VAL 461 Cb 1.26 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 3kyc h VAL 461 CO 0.52 0.07 0.47 0.25 0.02 0.00 0.00 177.57 178.90 3kyc h LEU 462 N 0.38 0.72 -0.50 2.57 5.85 -1.69 0.89 115.31 123.53 3kyc h LEU 462 Ca 0.26 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.87 3kyc h LEU 462 Cb 0.28 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3kyc h LEU 462 CO -0.26 0.46 -0.25 0.74 -0.34 0.00 0.00 178.44 178.79 3kyc h THR 463 N 0.85 1.27 -0.56 1.05 2.02 -1.68 0.95 112.91 116.81 3kyc h THR 463 Ca 0.35 -1.41 0.08 0.00 0.77 0.00 0.00 66.41 66.20 3kyc h THR 463 Cb 0.19 1.17 -0.07 0.00 -1.74 0.00 0.00 68.15 67.70 3kyc h THR 463 CO -0.18 0.48 0.20 0.25 0.37 0.00 0.00 175.52 176.64 3kyc h LEU 464 N 0.83 0.20 0.25 2.58 5.85 -0.70 -0.93 115.31 123.37 3kyc h LEU 464 Ca 0.10 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3kyc h LEU 464 Cb 0.82 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.91 3kyc h LEU 464 CO 0.07 0.13 -0.12 -0.61 -0.34 0.00 0.00 178.44 177.57 3kyc h GLN 465 N 0.38 -0.32 0.00 1.25 4.15 0.43 -1.32 115.11 119.68 3kyc h GLN 465 Ca 0.28 0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.67 3kyc h GLN 465 Cb 0.33 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 3kyc h GLN 465 CO -0.29 0.04 -0.30 -0.44 -1.93 0.00 0.00 178.83 175.92 3kyc h ASP 466 N -0.83 0.00 1.19 -0.69 3.32 -0.94 -0.68 116.42 117.79 3kyc h ASP 466 Ca -0.03 -0.76 -0.15 0.00 0.02 0.00 0.00 57.03 56.11 3kyc h ASP 466 Cb 0.51 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 3kyc h ASP 466 CO 0.06 1.05 -0.84 0.11 -1.72 0.00 0.00 179.24 177.90 3kyc h LYS 467 N -1.00 0.00 0.00 3.56 1.57 -1.38 -0.27 116.57 119.05 3kyc h LYS 467 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3kyc h LYS 467 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.26 3kyc h LYS 467 CO -0.05 0.60 -0.49 -0.89 -0.57 0.00 0.00 179.45 178.04 3kyc n ILE 468 N -3.19 0.88 0.00 1.86 5.41 -0.98 -2.21 119.36 121.13 3kyc n ILE 468 Ca -0.01 0.30 -0.12 0.00 1.00 0.00 0.00 62.75 63.92 3kyc n ILE 468 Cb 0.82 -2.02 -0.09 0.00 -0.71 0.00 0.00 39.64 37.64 3kyc n ILE 468 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3kyc h VAL 469 N -0.60 1.21 -0.04 1.39 2.07 -1.25 0.13 116.25 119.16 3kyc h VAL 469 Ca 0.00 -1.38 -0.05 0.00 0.82 0.00 0.00 66.70 66.09 3kyc h VAL 469 Cb 0.49 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 3kyc h VAL 469 CO 0.00 0.32 -0.18 0.11 0.02 0.00 0.00 177.57 177.84 3kyc h LYS 470 N -0.76 0.19 0.00 1.57 1.57 -1.22 -2.03 116.57 115.90 3kyc h LYS 470 Ca -0.01 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 3kyc h LYS 470 Cb 0.60 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 3kyc h LYS 470 CO 0.02 0.80 -0.31 1.49 -0.57 0.00 0.00 179.45 180.88 3kyc h GLU 471 N -0.37 0.00 0.00 3.15 4.81 -1.16 -2.61 114.58 118.40 3kyc h GLU 471 Ca -0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3kyc h GLU 471 Cb 0.83 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.21 3kyc h GLU 471 CO 0.04 0.25 -0.00 -0.22 -0.73 0.00 0.00 179.01 178.34 3kyc h LYS 472 N -1.00 -0.00 -0.26 1.92 1.63 -0.85 -3.22 116.57 114.79 3kyc h LYS 472 Ca -0.04 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 3kyc h LYS 472 Cb 0.45 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 3kyc h LYS 472 CO -0.02 0.41 0.00 1.19 -3.45 0.00 0.00 179.45 177.58 3kyc n PHE 473 N -4.89 0.34 -1.99 1.91 0.99 0.38 -4.92 117.46 109.27 3kyc n PHE 473 Ca -0.08 -0.17 -0.18 0.00 -0.00 0.00 0.00 57.45 57.02 3kyc n PHE 473 Cb 0.21 0.00 -0.04 0.00 -1.00 0.00 0.00 39.48 38.65 3kyc n PHE 473 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3kyc n ALA 474 N 0.36 -0.49 -1.79 4.37 0.00 -0.99 -4.94 120.51 117.04 3kyc n ALA 474 Ca 0.13 0.21 -0.33 0.00 0.00 0.00 0.00 53.44 53.45 3kyc n ALA 474 Cb 0.29 -1.88 -0.04 0.00 0.00 0.00 0.00 19.45 17.82 3kyc n ALA 474 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3kyc s MET 475 N -4.32 3.88 -0.24 0.00 -1.94 -0.79 -4.75 119.30 111.14 3kyc s MET 475 Ca 0.00 1.15 -0.09 0.00 -1.71 0.00 0.00 55.69 55.04 3kyc s MET 475 Cb 0.00 -2.12 -0.17 0.00 2.01 0.00 0.00 34.83 34.55 3kyc s MET 475 CO 0.00 -0.34 -0.10 0.28 -0.01 0.00 0.00 175.02 174.85 3kyc n VAL 476 N -1.24 1.56 -3.40 -6.03 0.31 -1.26 -4.21 118.33 104.06 3kyc n VAL 476 Ca 0.08 -0.42 -0.23 0.00 -0.01 0.00 0.00 64.34 63.75 3kyc n VAL 476 Cb 0.53 -1.74 -0.10 0.00 -0.91 0.00 0.00 33.84 31.62 3kyc n VAL 476 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kyc s ALA 477 N -2.50 0.25 0.56 3.52 0.00 -1.26 -5.04 121.76 117.30 3kyc s ALA 477 Ca -0.33 -1.45 -0.18 0.00 0.00 0.00 0.00 51.96 50.00 3kyc s ALA 477 Cb 0.10 -1.83 -0.05 0.00 0.00 0.00 0.00 23.12 21.34 3kyc s ALA 477 CO 0.59 -2.13 1.07 -1.25 0.00 0.00 0.00 175.76 174.04 3kyc s PRO 478 N 1.19 3.44 -0.11 0.00 0.04 -1.26 -4.59 135.00 133.71 3kyc s PRO 478 Ca 0.18 1.33 -0.00 0.00 0.04 0.00 0.00 61.00 62.55 3kyc s PRO 478 Cb -0.18 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 3kyc s PRO 478 CO -0.01 -0.72 -0.09 -0.51 0.04 0.00 0.00 177.00 175.70 3kyc s ASP 479 N -2.36 4.41 -0.06 6.66 1.01 0.69 -2.97 116.67 124.05 3kyc s ASP 479 Ca 0.66 -0.17 0.01 0.00 0.71 0.00 0.00 52.55 53.77 3kyc s ASP 479 Cb -0.18 -1.44 0.02 0.00 1.01 0.00 0.00 42.92 42.34 3kyc s ASP 479 CO 0.30 0.24 -0.08 -0.69 0.21 0.00 0.00 175.17 175.15 3kyc s VAL 480 N -0.11 0.87 0.21 -1.27 1.01 0.59 -0.60 120.40 121.09 3kyc s VAL 480 Ca 0.00 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.70 3kyc s VAL 480 Cb -0.13 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.36 3kyc s VAL 480 CO 0.03 0.30 -0.01 0.00 0.00 0.00 0.00 175.10 175.42 3kyc s GLN 481 N 0.86 1.24 0.25 2.72 -2.07 -0.45 -0.25 119.66 121.97 3kyc s GLN 481 Ca -0.11 -1.61 -0.27 0.00 -1.82 0.00 0.00 55.36 51.54 3kyc s GLN 481 Cb -0.15 -0.49 -0.09 0.00 -1.09 0.00 0.00 33.01 31.19 3kyc s GLN 481 CO 0.01 -0.10 0.89 0.42 -1.32 0.00 0.00 175.29 175.20 3kyc s ILE 482 N -3.50 4.22 -1.32 3.63 1.01 0.16 0.11 121.20 125.51 3kyc s ILE 482 Ca 0.26 1.86 -0.14 0.00 0.00 0.00 0.00 60.65 62.63 3kyc s ILE 482 Cb 0.06 -4.14 0.11 0.00 0.01 0.00 0.00 42.46 38.49 3kyc s ILE 482 CO 0.07 0.35 1.84 -0.62 0.00 0.00 0.00 174.94 176.58 3kyc n GLU 483 N 1.12 3.25 -0.85 2.79 -0.58 -0.23 -3.87 120.64 122.27 3kyc n GLU 483 Ca -0.01 -3.28 0.02 0.00 -0.42 0.00 0.00 57.16 53.47 3kyc n GLU 483 Cb 0.49 -3.20 0.02 0.00 -0.57 0.00 0.00 31.44 28.18 3kyc n GLU 483 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3kyc n ASP 484 N 6.02 0.52 0.00 1.62 5.68 -1.26 -4.91 116.55 124.23 3kyc n ASP 484 Ca 0.45 -2.10 0.00 0.00 -0.50 0.00 0.00 54.79 52.63 3kyc n ASP 484 Cb 0.41 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 3kyc n ASP 484 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kyc n GLY 485 N 0.09 0.20 0.27 6.12 0.00 -1.26 -3.81 105.19 106.79 3kyc n GLY 485 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 3kyc n GLY 485 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3kyc h LYS 486 N 0.00 0.76 -2.70 1.61 3.11 -1.95 -3.48 116.57 113.92 3kyc h LYS 486 Ca 0.00 -0.28 -0.10 0.00 -2.81 0.00 0.00 60.65 57.46 3kyc h LYS 486 Cb 0.00 -0.05 0.04 0.00 -1.00 0.00 0.00 32.23 31.22 3kyc h LYS 486 CO 0.00 0.88 -0.20 0.41 -2.81 0.00 0.00 179.45 177.73 3kyc n GLY 487 N -0.34 0.37 3.64 5.01 0.00 -1.25 -4.92 105.19 107.70 3kyc n GLY 487 Ca 0.01 -0.37 -0.54 0.00 0.00 0.00 0.00 46.02 45.12 3kyc n GLY 487 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3kyc n THR 488 N -2.48 0.13 -2.44 2.61 -1.04 -1.25 -4.49 114.28 105.31 3kyc n THR 488 Ca -0.04 -0.02 -0.41 0.00 -2.04 0.00 0.00 64.05 61.54 3kyc n THR 488 Cb 0.53 -1.01 -0.04 0.00 -1.82 0.00 0.00 70.33 68.00 3kyc n THR 488 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3kyc s ILE 489 N 1.71 3.55 -0.07 12.58 1.01 -1.26 0.38 121.20 139.09 3kyc s ILE 489 Ca 0.90 1.44 -0.05 0.00 0.00 0.00 0.00 60.65 62.94 3kyc s ILE 489 Cb -0.99 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 37.53 3kyc s ILE 489 CO 0.54 0.30 -0.12 0.18 0.00 0.00 0.00 174.94 175.84 3kyc n LEU 490 N 1.72 0.75 -4.05 2.97 4.77 0.65 -4.90 117.00 118.91 3kyc n LEU 490 Ca 0.01 0.12 -0.21 0.00 -0.03 0.00 0.00 56.01 55.90 3kyc n LEU 490 Cb 0.45 -0.30 -0.15 0.00 -2.33 0.00 0.00 43.42 41.09 3kyc n LEU 490 CO 0.55 0.07 -0.45 -0.63 -1.33 0.00 0.00 177.39 175.59 3kyc s ILE 491 N -2.18 0.91 0.12 -0.08 1.01 -0.61 -4.87 121.20 115.50 3kyc s ILE 491 Ca -0.12 -0.46 0.10 0.00 0.00 0.00 0.00 60.65 60.17 3kyc s ILE 491 Cb 0.04 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 3kyc s ILE 491 CO 0.15 0.27 -0.25 -0.55 0.00 0.00 0.00 174.94 174.56 3kyc s SER 492 N -0.07 3.43 0.00 3.58 0.15 -1.26 -0.30 113.70 119.23 3kyc s SER 492 Ca 0.01 -0.70 0.21 0.00 0.70 0.00 0.00 55.95 56.17 3kyc s SER 492 Cb -0.07 -0.29 0.81 0.00 -1.71 0.00 0.00 66.02 64.76 3kyc s SER 492 CO 0.00 0.18 1.58 -1.54 1.20 0.00 0.00 173.24 174.67 3kyc n SER 493 N 0.93 1.54 -4.30 5.45 3.41 -1.16 -4.72 113.62 114.77 3kyc n SER 493 Ca -0.17 -1.66 -0.46 0.00 -0.26 0.00 0.00 58.87 56.31 3kyc n SER 493 Cb 0.53 -0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 64.34 3kyc n SER 493 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3kyc s GLU 494 N -1.83 3.04 -0.26 4.33 2.56 -1.26 -4.99 118.70 120.31 3kyc s GLU 494 Ca 0.33 -1.84 -0.23 0.00 0.00 0.00 0.00 54.97 53.23 3kyc s GLU 494 Cb 0.18 -4.29 -0.10 0.00 2.00 0.00 0.00 34.13 31.92 3kyc s GLU 494 CO 0.27 -1.31 1.03 -1.91 -0.56 0.00 0.00 175.26 172.78 3kyc n GLU 495 N 5.01 0.00 -2.11 4.30 2.13 -1.26 -2.48 120.64 126.22 3kyc n GLU 495 Ca -0.09 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.70 3kyc n GLU 495 Cb 0.41 -0.77 0.02 0.00 0.27 0.00 0.00 31.44 31.37 3kyc n GLU 495 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kyc n GLY 496 N 3.44 -0.17 0.00 8.31 0.00 -1.26 -4.99 105.19 110.52 3kyc n GLY 496 Ca 0.25 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.32 3kyc n GLY 496 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kyc n GLU 497 N -1.79 0.34 -0.89 1.61 1.02 -1.03 -4.85 120.64 115.05 3kyc n GLU 497 Ca -0.02 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.16 3kyc n GLU 497 Cb 0.53 -0.65 0.16 0.00 -0.02 0.00 0.00 31.44 31.46 3kyc n GLU 497 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3kyc n THR 498 N -1.55 1.78 -0.26 2.62 -2.24 -1.26 -4.74 114.28 108.62 3kyc n THR 498 Ca 0.00 -2.85 -0.05 0.00 -2.27 0.00 0.00 64.05 58.88 3kyc n THR 498 Cb 0.15 -0.02 0.06 0.00 -2.10 0.00 0.00 70.33 68.42 3kyc n THR 498 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3kyc h GLU 499 N 1.09 0.97 -0.00 -0.78 3.07 -1.94 -2.49 114.58 114.49 3kyc h GLU 499 Ca -0.03 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 3kyc h GLU 499 Cb 1.21 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 28.91 3kyc h GLU 499 CO 0.06 0.67 0.01 0.00 -1.40 0.00 0.00 179.01 178.35 3kyc h ALA 500 N 1.24 1.44 0.00 3.43 0.00 -1.99 -2.39 119.26 120.98 3kyc h ALA 500 Ca 0.26 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 3kyc h ALA 500 Cb -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3kyc h ALA 500 CO -0.05 -0.01 -0.79 -0.91 0.00 0.00 0.00 179.25 177.49 3kyc h ASN 501 N 0.00 0.00 -0.98 0.00 2.35 -1.79 -3.38 115.58 111.78 3kyc h ASN 501 Ca 0.00 0.00 0.29 0.00 -0.55 0.00 0.00 56.30 56.04 3kyc h ASN 501 Cb 0.02 0.00 -0.18 0.00 0.05 0.00 0.00 38.32 38.21 3kyc h ASN 501 CO -0.00 0.45 0.13 0.78 -1.65 0.00 0.00 177.43 177.14 3kyc h ASN 502 N 0.00 -0.30 1.61 5.81 2.35 -1.39 -1.27 115.58 122.39 3kyc h ASN 502 Ca -0.05 0.27 -0.02 0.00 -0.55 0.00 0.00 56.30 55.95 3kyc h ASN 502 Cb 1.39 0.43 -0.00 0.00 0.05 0.00 0.00 38.32 40.18 3kyc h ASN 502 CO 0.05 -0.35 -0.39 1.12 -1.65 0.00 0.00 177.43 176.21 3kyc h HIS 503 N 0.03 0.00 -3.46 1.19 2.07 -1.79 -2.39 115.15 110.79 3kyc h HIS 503 Ca 0.63 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 57.63 3kyc h HIS 503 Cb 1.38 0.00 0.02 0.00 2.57 0.00 0.00 27.41 31.38 3kyc h HIS 503 CO -0.39 0.07 0.55 0.15 -3.07 0.00 0.00 177.93 175.24 3kyc s LYS 504 N -3.22 4.49 0.69 5.12 1.02 -0.48 -4.85 119.74 122.52 3kyc s LYS 504 Ca 0.04 1.85 -0.16 0.00 0.02 0.00 0.00 55.97 57.73 3kyc s LYS 504 Cb 0.07 -3.25 0.02 0.00 -0.52 0.00 0.00 37.83 34.14 3kyc s LYS 504 CO 0.72 -0.09 1.19 0.15 -0.92 0.00 0.00 175.35 176.40 3kyc s LYS 505 N -0.13 2.43 0.31 1.68 3.01 -1.26 -2.00 119.74 123.77 3kyc s LYS 505 Ca 0.53 1.72 -0.00 0.00 -1.01 0.00 0.00 55.97 57.21 3kyc s LYS 505 Cb -0.32 -1.87 0.51 0.00 -1.01 0.00 0.00 37.83 35.14 3kyc s LYS 505 CO 0.36 -1.61 1.96 -0.07 0.51 0.00 0.00 175.35 176.50 3kyc h LEU 506 N 0.02 0.83 -2.27 3.17 3.38 -1.10 -2.63 115.31 116.71 3kyc h LEU 506 Ca -0.48 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.44 3kyc h LEU 506 Cb 1.29 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3kyc h LEU 506 CO 0.52 0.64 0.10 0.77 0.09 0.00 0.00 178.44 180.56 3kyc h SER 507 N 0.95 0.00 0.42 -0.43 4.64 -0.81 -0.20 113.55 118.12 3kyc h SER 507 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3kyc h SER 507 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3kyc h SER 507 CO -0.05 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.29 3kyc n GLU 508 N -2.78 0.09 0.00 4.77 1.02 -0.99 -1.64 120.64 121.11 3kyc n GLU 508 Ca -0.02 0.20 0.05 0.00 -0.02 0.00 0.00 57.16 57.36 3kyc n GLU 508 Cb 0.16 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.07 3kyc n GLU 508 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3kyc n PHE 509 N -1.41 0.00 0.00 -0.32 3.01 -0.09 -4.96 117.46 113.69 3kyc n PHE 509 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 3kyc n PHE 509 Cb 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.62 3kyc n PHE 509 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kyc n GLY 510 N 0.93 0.68 3.73 1.37 0.00 -0.65 -5.04 105.19 106.21 3kyc n GLY 510 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3kyc n GLY 510 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kyc s ILE 511 N -2.00 2.56 0.00 -0.61 1.01 -1.21 -4.94 121.20 116.01 3kyc s ILE 511 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 60.65 61.08 3kyc s ILE 511 Cb 0.00 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.20 3kyc s ILE 511 CO 0.00 0.05 0.00 -2.11 0.00 0.00 0.00 174.94 172.88 3kyc n ARG 512 N 3.28 0.00 -1.68 2.79 1.85 -1.26 -4.19 116.66 117.45 3kyc n ARG 512 Ca 0.11 0.00 -0.60 0.00 -1.00 0.00 0.00 57.85 56.36 3kyc n ARG 512 Cb 0.39 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.72 3kyc n ARG 512 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 3kyc n ASN 513 N -1.16 1.97 0.00 2.89 5.15 -1.26 -0.67 115.26 122.18 3kyc n ASN 513 Ca 0.00 1.05 0.00 0.00 -0.60 0.00 0.00 54.58 55.03 3kyc n ASN 513 Cb 0.00 -1.06 0.00 0.00 -0.53 0.00 0.00 39.78 38.19 3kyc n ASN 513 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kyc n GLY 514 N 4.48 0.70 3.77 8.20 0.00 0.02 -4.95 105.19 117.41 3kyc n GLY 514 Ca 0.30 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.01 3kyc n GLY 514 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kyc s SER 515 N -2.98 4.58 -0.04 1.61 0.01 0.15 -4.76 113.70 112.28 3kyc s SER 515 Ca 0.00 1.87 0.01 0.00 1.31 0.00 0.00 55.95 59.15 3kyc s SER 515 Cb 0.00 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.72 3kyc s SER 515 CO 0.00 -1.98 -0.05 -0.13 0.41 0.00 0.00 173.24 171.48 3kyc s ARG 516 N -4.72 0.79 0.27 12.44 0.52 -1.26 -1.79 118.95 125.21 3kyc s ARG 516 Ca 0.63 -0.15 0.12 0.00 -0.52 0.00 0.00 55.73 55.81 3kyc s ARG 516 Cb -0.18 -0.78 -0.05 0.00 0.52 0.00 0.00 34.95 34.46 3kyc s ARG 516 CO 0.53 -0.02 -0.18 -0.51 0.02 0.00 0.00 175.30 175.14 3kyc s LEU 517 N 0.65 2.66 -0.10 2.53 1.43 0.04 -1.07 118.68 124.83 3kyc s LEU 517 Ca -0.09 -0.97 0.01 0.00 -1.03 0.00 0.00 54.13 52.05 3kyc s LEU 517 Cb -0.12 -1.18 0.02 0.00 0.03 0.00 0.00 46.19 44.94 3kyc s LEU 517 CO 0.00 0.04 -0.10 -1.58 0.23 0.00 0.00 176.35 174.94 3kyc s GLN 518 N -3.50 1.71 -0.13 1.70 0.74 0.12 -1.35 119.66 118.94 3kyc s GLN 518 Ca 0.30 -0.35 -0.01 0.00 0.05 0.00 0.00 55.36 55.35 3kyc s GLN 518 Cb -0.05 -1.62 -0.02 0.00 1.10 0.00 0.00 33.01 32.42 3kyc s GLN 518 CO 0.15 -0.17 -0.12 0.00 -0.55 0.00 0.00 175.29 174.60 3kyc s ALA 519 N 1.35 2.66 -0.05 1.58 0.00 0.45 -1.33 121.76 126.41 3kyc s ALA 519 Ca -0.01 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.10 3kyc s ALA 519 Cb -0.14 -1.25 -0.00 0.00 0.00 0.00 0.00 23.12 21.73 3kyc s ALA 519 CO -0.05 0.23 -0.18 -0.51 0.00 0.00 0.00 175.76 175.26 3kyc s ASP 520 N 0.37 2.26 -0.46 0.00 1.01 0.23 -0.46 116.67 119.62 3kyc s ASP 520 Ca -0.10 -0.38 0.01 0.00 0.71 0.00 0.00 52.55 52.80 3kyc s ASP 520 Cb -0.16 -0.72 0.12 0.00 1.01 0.00 0.00 42.92 43.17 3kyc s ASP 520 CO 0.05 0.14 0.21 -0.62 0.21 0.00 0.00 175.17 175.17 3kyc s ASP 521 N 0.13 4.82 0.26 0.27 -1.08 -0.03 -0.22 116.67 120.82 3kyc s ASP 521 Ca -0.07 -2.51 -0.02 0.00 -0.52 0.00 0.00 52.55 49.44 3kyc s ASP 521 Cb -0.13 -1.71 0.44 0.00 -1.46 0.00 0.00 42.92 40.06 3kyc s ASP 521 CO 0.03 -0.37 1.85 -0.26 0.52 0.00 0.00 175.17 176.94 3kyc h PHE 522 N 7.27 1.08 -0.15 -5.34 -1.00 -1.81 0.23 116.94 117.22 3kyc h PHE 522 Ca -0.07 0.03 0.05 0.00 2.81 0.00 0.00 57.97 60.79 3kyc h PHE 522 Cb 0.98 -0.34 -0.05 0.00 3.61 0.00 0.00 35.95 40.14 3kyc h PHE 522 CO 0.54 0.49 -0.17 1.25 -1.61 0.00 0.00 178.31 178.81 3kyc h LEU 523 N 1.01 -0.54 0.00 1.54 5.85 -1.93 -1.77 115.31 119.46 3kyc h LEU 523 Ca 0.44 0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.26 3kyc h LEU 523 Cb 0.31 0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.60 3kyc h LEU 523 CO -0.22 -0.22 0.00 0.00 -0.34 0.00 0.00 178.44 177.66 3kyc n GLN 524 N -5.32 0.42 -3.75 1.25 6.02 -0.92 -4.52 117.38 110.57 3kyc n GLN 524 Ca -0.03 0.01 -0.22 0.00 -0.01 0.00 0.00 57.00 56.76 3kyc n GLN 524 Cb 0.23 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 30.02 3kyc n GLN 524 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3kyc n ASP 525 N -1.28 -1.12 -4.15 1.08 2.03 0.71 -4.61 116.55 109.21 3kyc n ASP 525 Ca 0.14 -0.86 -0.21 0.00 0.52 0.00 0.00 54.79 54.38 3kyc n ASP 525 Cb 0.23 -3.85 -0.13 0.00 -0.72 0.00 0.00 41.12 36.64 3kyc n ASP 525 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 3kyc s TYR 526 N -3.72 1.27 -0.08 -0.67 5.04 -0.67 -4.95 117.35 113.57 3kyc s TYR 526 Ca 0.02 -0.34 -0.04 0.00 -2.44 0.00 0.00 57.07 54.27 3kyc s TYR 526 Cb -0.00 -0.76 0.04 0.00 0.35 0.00 0.00 41.96 41.59 3kyc s TYR 526 CO 0.83 0.03 0.18 0.99 -1.34 0.00 0.00 175.55 176.24 3kyc s THR 527 N -0.80 -0.13 -0.03 4.34 2.01 -1.26 -0.85 115.64 118.92 3kyc s THR 527 Ca 0.02 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.25 3kyc s THR 527 Cb -0.08 -0.30 0.03 0.00 0.01 0.00 0.00 72.50 72.17 3kyc s THR 527 CO 0.01 0.09 0.01 -0.22 -0.69 0.00 0.00 174.62 173.82 3kyc s LEU 528 N 1.55 1.13 -0.20 4.42 2.96 0.39 -4.41 118.68 124.53 3kyc s LEU 528 Ca -0.05 -0.00 -0.12 0.00 -0.22 0.00 0.00 54.13 53.73 3kyc s LEU 528 Cb -0.12 -0.17 -0.05 0.00 0.50 0.00 0.00 46.19 46.36 3kyc s LEU 528 CO -0.07 -0.11 0.22 -0.76 -1.32 0.00 0.00 176.35 174.32 3kyc s LEU 529 N 1.04 4.19 -0.22 -0.68 1.43 -1.11 -0.41 118.68 122.93 3kyc s LEU 529 Ca -0.09 0.33 -0.06 0.00 -1.03 0.00 0.00 54.13 53.27 3kyc s LEU 529 Cb -0.13 -2.24 -0.03 0.00 0.03 0.00 0.00 46.19 43.82 3kyc s LEU 529 CO -0.02 0.09 0.03 -0.63 0.23 0.00 0.00 176.35 176.05 3kyc s ILE 530 N 0.68 4.17 -0.18 -0.59 1.01 -0.46 -1.16 121.20 124.68 3kyc s ILE 530 Ca 0.12 -0.23 -0.14 0.00 0.00 0.00 0.00 60.65 60.40 3kyc s ILE 530 Cb -0.13 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 3kyc s ILE 530 CO 0.03 0.40 0.31 0.20 0.00 0.00 0.00 174.94 175.88 3kyc s ASN 531 N 1.15 6.41 -0.20 3.58 0.01 0.10 -0.78 114.94 125.21 3kyc s ASN 531 Ca 0.03 0.48 -0.18 0.00 -0.71 0.00 0.00 52.86 52.48 3kyc s ASN 531 Cb -0.14 -2.19 -0.03 0.00 0.41 0.00 0.00 41.25 39.29 3kyc s ASN 531 CO 0.02 0.05 0.49 -0.63 -1.51 0.00 0.00 177.10 175.53 3kyc s ILE 532 N 0.74 5.12 -0.32 0.60 -1.09 -0.74 0.59 121.20 126.11 3kyc s ILE 532 Ca 0.16 0.90 -0.11 0.00 -2.23 0.00 0.00 60.65 59.37 3kyc s ILE 532 Cb -0.13 -3.82 -0.02 0.00 -1.58 0.00 0.00 42.46 36.91 3kyc s ILE 532 CO 0.05 0.19 0.20 -0.76 -1.23 0.00 0.00 174.94 173.39 3kyc s LEU 533 N 1.59 4.27 0.13 2.97 1.43 0.22 -0.80 118.68 128.50 3kyc s LEU 533 Ca 0.23 -0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 52.63 3kyc s LEU 533 Cb -0.15 -2.08 -0.07 0.00 0.03 0.00 0.00 46.19 43.92 3kyc s LEU 533 CO 0.09 -0.19 1.21 -2.28 0.23 0.00 0.00 176.35 175.42 3kyc s HIS 534 N 1.69 3.42 -0.05 0.29 5.65 -1.26 -1.31 115.29 123.72 3kyc s HIS 534 Ca 0.06 1.34 -0.05 0.00 0.25 0.00 0.00 55.06 56.65 3kyc s HIS 534 Cb -0.17 -3.45 0.01 0.00 -1.18 0.00 0.00 32.58 27.80 3kyc s HIS 534 CO 0.09 -1.33 0.14 0.45 -0.65 0.00 0.00 174.74 173.44 3kyc s SER 535 N 0.55 -0.14 0.01 9.88 0.15 0.33 -4.87 113.70 119.61 3kyc s SER 535 Ca 0.56 0.26 0.22 0.00 0.70 0.00 0.00 55.95 57.69 3kyc s SER 535 Cb -0.32 0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 64.24 3kyc s SER 535 CO 0.33 -0.07 1.00 -0.62 1.20 0.00 0.00 173.24 175.08 3kyc n GLU 536 N 2.91 0.10 -3.24 5.44 1.02 -1.26 -3.18 120.64 122.44 3kyc n GLU 536 Ca -0.13 -0.02 -0.37 0.00 -0.02 0.00 0.00 57.16 56.63 3kyc n GLU 536 Cb 0.59 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 30.46 3kyc n GLU 536 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3kyc n ASP 537 N -1.64 5.20 0.00 1.62 8.00 -1.26 -4.77 116.55 123.70 3kyc n ASP 537 Ca 0.03 -3.39 0.00 0.00 0.71 0.00 0.00 54.79 52.15 3kyc n ASP 537 Cb 0.37 -1.03 0.00 0.00 -0.02 0.00 0.00 41.12 40.44 3kyc n ASP 537 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kyc n LEU 538 N 1.29 0.00 0.00 0.64 4.32 -1.26 -5.11 117.00 116.88 3kyc n LEU 538 Ca 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.26 3kyc n LEU 538 Cb 0.37 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.17 3kyc n LEU 538 CO 0.56 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.34 3kyc n GLY 539 N 2.76 0.66 0.00 -0.72 0.00 -1.26 -4.55 105.19 102.08 3kyc n GLY 539 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 3kyc n GLY 539 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kyc n LYS 540 N 0.00 0.00 0.08 1.61 2.85 -1.26 -1.79 118.16 119.65 3kyc n LYS 540 Ca 0.00 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.28 3kyc n LYS 540 Cb 0.00 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 3kyc n LYS 540 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 177.40 177.73 3kyc h ASP 541 N 0.00 0.00 -2.71 -5.58 3.04 -2.02 -3.45 116.42 105.69 3kyc h ASP 541 Ca 0.00 0.00 -0.69 0.00 -3.24 0.00 0.00 57.03 53.10 3kyc h ASP 541 Cb 0.00 0.00 -0.18 0.00 -1.04 0.00 0.00 39.33 38.11 3kyc h ASP 541 CO 0.00 0.47 0.54 -0.69 -2.04 0.00 0.00 179.24 177.53 3kyc s VAL 542 N -2.99 4.75 -0.47 4.15 1.01 -0.74 -4.91 120.40 121.20 3kyc s VAL 542 Ca 0.00 -1.29 0.23 0.00 0.00 0.00 0.00 61.98 60.93 3kyc s VAL 542 Cb 0.08 -4.67 0.31 0.00 0.00 0.00 0.00 36.38 32.11 3kyc s VAL 542 CO 0.78 -1.37 1.60 -0.33 0.00 0.00 0.00 175.10 175.78 3kyc h GLU 543 N 8.96 0.00 -2.08 2.72 5.08 -1.90 -3.41 114.58 123.95 3kyc h GLU 543 Ca -0.04 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.52 3kyc h GLU 543 Cb 1.05 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.19 3kyc h GLU 543 CO 1.09 0.00 0.58 -0.59 -1.00 0.00 0.00 179.01 179.09 3kyc s PHE 544 N -3.20 -0.15 -0.09 4.33 -0.12 -1.26 -4.36 117.98 113.13 3kyc s PHE 544 Ca 0.07 -0.06 -0.19 0.00 -0.05 0.00 0.00 56.93 56.70 3kyc s PHE 544 Cb 0.06 0.59 0.04 0.00 -0.63 0.00 0.00 43.02 43.09 3kyc s PHE 544 CO 0.67 -0.62 0.46 -1.83 -0.05 0.00 0.00 175.22 173.85 3kyc s GLU 545 N -3.02 0.72 0.18 1.99 -1.05 -0.76 -4.99 118.70 111.76 3kyc s GLU 545 Ca 0.11 0.25 -0.30 0.00 -0.15 0.00 0.00 54.97 54.89 3kyc s GLU 545 Cb 0.00 0.34 -0.07 0.00 -0.44 0.00 0.00 34.13 33.95 3kyc s GLU 545 CO -0.02 -0.17 1.00 0.08 0.95 0.00 0.00 175.26 177.10 3kyc s VAL 546 N -0.67 4.14 0.65 1.83 1.01 -1.26 -1.16 120.40 124.94 3kyc s VAL 546 Ca -0.08 1.92 0.00 0.00 0.00 0.00 0.00 61.98 63.83 3kyc s VAL 546 Cb -0.03 -4.22 0.09 0.00 0.00 0.00 0.00 36.38 32.21 3kyc s VAL 546 CO 0.04 0.36 0.90 -0.69 0.00 0.00 0.00 175.10 175.71 3kyc s VAL 547 N -0.49 2.34 0.00 2.92 1.01 -0.30 -4.94 120.40 120.95 3kyc s VAL 547 Ca 0.46 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.80 3kyc s VAL 547 Cb -0.26 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.41 3kyc s VAL 547 CO 0.33 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.04 3kyc n GLY 548 N -2.61 0.00 0.00 4.51 0.00 -1.26 -4.68 105.19 101.14 3kyc n GLY 548 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3kyc n GLY 548 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3kyc n GLU 607 N 0.00 0.00 -0.46 1.61 0.28 -1.26 -5.19 120.64 115.61 3kyc n GLU 607 Ca 0.00 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.07 3kyc n GLU 607 Cb 0.00 0.00 0.13 0.00 1.43 0.00 0.00 31.44 33.00 3kyc n GLU 607 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 3kyc n ARG 608 N 0.00 1.09 0.00 3.44 -4.01 -1.26 -4.07 116.66 111.86 3kyc n ARG 608 Ca 0.00 -2.58 0.12 0.00 -1.04 0.00 0.00 57.85 54.35 3kyc n ARG 608 Cb 0.00 -1.26 0.16 0.00 -3.04 0.00 0.00 32.46 28.32 3kyc n ARG 608 CO 0.00 0.00 0.00 0.43 -3.04 0.00 0.00 177.63 175.02 3kyc n SER 609 N -0.94 2.47 -0.49 2.89 7.64 -1.26 -3.05 113.62 120.88 3kyc n SER 609 Ca 0.14 -1.77 0.05 0.00 1.01 0.00 0.00 58.87 58.31 3kyc n SER 609 Cb 0.72 0.10 0.07 0.00 -1.01 0.00 0.00 64.21 64.10 3kyc n SER 609 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3kyc n ARG 610 N 0.79 1.12 0.00 1.43 1.74 -1.26 -4.19 116.66 116.28 3kyc n ARG 610 Ca 0.14 -1.38 0.00 0.00 -0.77 0.00 0.00 57.85 55.84 3kyc n ARG 610 Cb 0.52 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.74 3kyc n ARG 610 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3kyc n LYS 611 N 0.58 0.00 -2.00 5.56 5.02 -1.26 -4.60 118.16 121.46 3kyc n LYS 611 Ca 0.08 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.00 3kyc n LYS 611 Cb 0.31 -0.46 -0.00 0.00 -0.02 0.00 0.00 35.03 34.86 3kyc n LYS 611 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3kyc n ARG 612 N -2.63 3.74 0.00 1.97 1.74 -1.17 -2.20 116.66 118.10 3kyc n ARG 612 Ca 0.00 -3.49 0.00 0.00 -0.77 0.00 0.00 57.85 53.59 3kyc n ARG 612 Cb 0.32 -2.37 0.00 0.00 -1.02 0.00 0.00 32.46 29.39 3kyc n ARG 612 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3kyc n LYS 613 N 0.44 0.00 -0.07 5.56 5.02 -1.26 -4.76 118.16 123.09 3kyc n LYS 613 Ca 0.53 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.90 3kyc n LYS 613 Cb 0.32 0.00 0.34 0.00 -0.02 0.00 0.00 35.03 35.68 3kyc n LYS 613 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3kyc n LEU 614 N -0.33 1.18 -0.07 -0.35 4.77 -1.24 -3.63 117.00 117.34 3kyc n LEU 614 Ca 0.00 -0.52 -0.04 0.00 -0.03 0.00 0.00 56.01 55.42 3kyc n LEU 614 Cb 0.00 -0.10 -0.15 0.00 -2.33 0.00 0.00 43.42 40.84 3kyc n LEU 614 CO 0.00 0.26 -1.02 -0.67 -1.33 0.00 0.00 177.39 174.63 3kyc n ASP 615 N 0.04 0.28 -0.18 -1.43 -0.08 -0.93 -4.28 116.55 109.96 3kyc n ASP 615 Ca 0.13 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.39 3kyc n ASP 615 Cb 0.23 1.24 0.20 0.00 2.34 0.00 0.00 41.12 45.13 3kyc n ASP 615 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3kyc h GLU 616 N 0.00 0.94 0.00 -0.67 5.08 -1.85 0.18 114.58 118.26 3kyc h GLU 616 Ca -0.38 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 57.80 3kyc h GLU 616 Cb 1.84 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.91 3kyc h GLU 616 CO 0.02 0.74 -0.22 0.87 -1.00 0.00 0.00 179.01 179.42 3kyc h LYS 617 N 0.93 0.00 -0.22 2.33 1.57 -1.75 -0.62 116.57 118.82 3kyc h LYS 617 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3kyc h LYS 617 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3kyc h LYS 617 CO -0.03 0.22 0.00 -0.85 -0.57 0.00 0.00 179.45 178.22 3kyc n GLU 618 N -3.91 2.83 0.03 3.15 0.28 -1.13 -2.25 120.64 119.65 3kyc n GLU 618 Ca -0.02 -2.02 0.11 0.00 -0.16 0.00 0.00 57.16 55.07 3kyc n GLU 618 Cb 0.31 -1.27 -0.04 0.00 1.43 0.00 0.00 31.44 31.87 3kyc n GLU 618 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3kyc n ASN 619 N 0.01 0.54 -0.02 -1.84 5.03 0.63 -3.46 115.26 116.15 3kyc n ASN 619 Ca 0.10 -0.12 -0.06 0.00 0.87 0.00 0.00 54.58 55.37 3kyc n ASN 619 Cb 0.44 1.03 -0.13 0.00 -1.02 0.00 0.00 39.78 40.10 3kyc n ASN 619 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 3kyc n LEU 620 N -2.13 0.76 0.05 3.41 7.94 -0.26 -2.97 117.00 123.81 3kyc n LEU 620 Ca 0.00 0.36 -0.05 0.00 -1.11 0.00 0.00 56.01 55.21 3kyc n LEU 620 Cb 0.48 0.18 0.16 0.00 0.53 0.00 0.00 43.42 44.77 3kyc n LEU 620 CO 0.42 0.33 0.60 -1.28 -1.11 0.00 0.00 177.39 176.35 3kyc h SER 621 N 0.00 0.40 0.38 1.96 0.87 -1.61 -3.03 113.55 112.52 3kyc h SER 621 Ca -0.28 -0.18 -0.32 0.00 -1.23 0.00 0.00 61.79 59.78 3kyc h SER 621 Cb 1.92 -0.11 0.01 0.00 -0.44 0.00 0.00 62.40 63.77 3kyc h SER 621 CO 0.06 0.79 -1.54 0.00 -0.53 0.00 0.00 176.83 175.62 3kyc h ALA 622 N 1.23 0.13 -0.96 6.23 0.00 -1.73 -2.84 119.26 121.32 3kyc h ALA 622 Ca 0.02 -1.04 0.04 0.00 0.00 0.00 0.00 54.91 53.94 3kyc h ALA 622 Cb 0.89 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 3kyc h ALA 622 CO 0.07 1.00 0.63 -0.22 0.00 0.00 0.00 179.25 180.73 3kyc h LYS 623 N 0.09 1.15 -0.58 0.00 1.63 -1.60 -2.05 116.57 115.20 3kyc h LYS 623 Ca -0.25 -0.07 -0.29 0.00 -0.85 0.00 0.00 60.65 59.19 3kyc h LYS 623 Cb 2.06 -0.26 -0.17 0.00 -0.60 0.00 0.00 32.23 33.26 3kyc h LYS 623 CO 0.19 0.76 0.19 0.54 -3.45 0.00 0.00 179.45 177.68 3kyc n ARG 624 N -4.45 2.12 0.04 1.90 1.74 -1.15 -3.02 116.66 113.84 3kyc n ARG 624 Ca 0.13 -3.11 -0.19 0.00 -0.77 0.00 0.00 57.85 53.91 3kyc n ARG 624 Cb 0.12 -1.96 -0.14 0.00 -1.02 0.00 0.00 32.46 29.46 3kyc n ARG 624 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3kyc h SER 625 N 1.13 0.44 0.69 0.55 0.87 -1.11 -3.36 113.55 112.75 3kyc h SER 625 Ca 0.35 -0.73 -0.25 0.00 -1.23 0.00 0.00 61.79 59.93 3kyc h SER 625 Cb 2.09 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 63.87 3kyc h SER 625 CO 0.64 1.63 -1.43 0.08 -0.53 0.00 0.00 176.83 177.21 3kyc h ARG 626 N 0.08 0.00 -0.38 2.24 0.11 -1.64 -3.25 114.38 111.53 3kyc h ARG 626 Ca -0.33 0.00 0.08 0.00 0.10 0.00 0.00 59.98 59.83 3kyc h ARG 626 Cb 2.05 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 33.06 3kyc h ARG 626 CO 0.14 0.64 -0.09 0.82 0.10 0.00 0.00 179.97 181.59 3kyc h ILE 627 N 0.00 0.62 -0.24 0.08 2.04 -1.76 -2.61 117.51 115.64 3kyc h ILE 627 Ca -0.18 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3kyc h ILE 627 Cb 1.90 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 3kyc h ILE 627 CO 0.09 0.00 0.00 1.21 0.00 0.00 0.00 178.15 179.45 3kyc n GLU 628 N -5.29 2.32 -1.51 2.37 4.07 -1.24 -3.01 120.64 118.34 3kyc n GLU 628 Ca 0.02 -1.18 -0.11 0.00 -0.06 0.00 0.00 57.16 55.83 3kyc n GLU 628 Cb 0.21 -1.66 0.09 0.00 -0.06 0.00 0.00 31.44 30.02 3kyc n GLU 628 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 3kyc n GLN 629 N 0.27 2.64 -3.47 5.31 6.02 -1.01 -5.01 117.38 122.13 3kyc n GLN 629 Ca 0.11 -3.74 -0.24 0.00 -0.01 0.00 0.00 57.00 53.12 3kyc n GLN 629 Cb 0.53 -1.92 -0.02 0.00 1.02 0.00 0.00 30.24 29.85 3kyc n GLN 629 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3kyc n LYS 630 N -0.82 -2.86 -2.75 -1.09 5.02 -1.16 -4.87 118.16 109.64 3kyc n LYS 630 Ca 0.31 0.35 -0.03 0.00 -2.02 0.00 0.00 58.31 56.92 3kyc n LYS 630 Cb 0.86 -5.01 0.07 0.00 -0.02 0.00 0.00 35.03 30.94 3kyc n LYS 630 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3kyc n GLU 631 N -3.63 1.46 -3.89 1.97 0.28 -1.06 -5.09 120.64 110.67 3kyc n GLU 631 Ca 0.01 -2.68 -0.24 0.00 -0.16 0.00 0.00 57.16 54.09 3kyc n GLU 631 Cb 0.52 -0.84 -0.17 0.00 1.43 0.00 0.00 31.44 32.38 3kyc n GLU 631 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 3kyc s GLU 632 N -2.21 1.08 0.00 3.44 2.56 -1.25 -4.74 118.70 117.58 3kyc s GLU 632 Ca 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 54.97 55.10 3kyc s GLU 632 Cb 0.39 -1.25 0.00 0.00 2.00 0.00 0.00 34.13 35.27 3kyc s GLU 632 CO -0.05 -0.26 0.70 1.28 -0.56 0.00 0.00 175.26 176.37 3kyc n LEU 633 N 4.92 0.00 -4.57 2.70 4.77 -1.26 -4.45 117.00 119.10 3kyc n LEU 633 Ca -0.11 0.70 -0.41 0.00 -0.03 0.00 0.00 56.01 56.16 3kyc n LEU 633 Cb 0.50 -0.20 -0.08 0.00 -2.33 0.00 0.00 43.42 41.31 3kyc n LEU 633 CO 0.15 -0.20 0.21 -1.81 -1.33 0.00 0.00 177.39 174.40 3kyc s ASP 634 N -2.96 6.33 -0.21 -1.43 -0.00 -1.26 -5.04 116.67 112.10 3kyc s ASP 634 Ca 0.00 0.11 -0.05 0.00 -0.00 0.00 0.00 52.55 52.61 3kyc s ASP 634 Cb 0.00 -2.26 0.11 0.00 -0.00 0.00 0.00 42.92 40.76 3kyc s ASP 634 CO 0.00 -0.40 0.38 -0.62 -0.00 0.00 0.00 175.17 174.53 3kyc s ASP 635 N 1.71 0.04 -0.10 0.27 2.15 -1.26 -5.12 116.67 114.36 3kyc s ASP 635 Ca 0.18 0.61 0.02 0.00 0.43 0.00 0.00 52.55 53.80 3kyc s ASP 635 Cb -0.16 1.17 0.01 0.00 -0.30 0.00 0.00 42.92 43.65 3kyc s ASP 635 CO 0.12 -0.26 -0.14 -0.69 -0.17 0.00 0.00 175.17 174.03 3kyc s VAL 636 N 2.56 1.39 -0.14 1.11 1.01 -1.26 -5.13 120.40 119.94 3kyc s VAL 636 Ca 0.05 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 3kyc s VAL 636 Cb -0.13 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 3kyc s VAL 636 CO -0.14 0.42 -0.05 -0.63 0.00 0.00 0.00 175.10 174.70 3kyc s ILE 637 N 0.94 3.80 0.22 2.22 1.01 -1.26 -5.12 121.20 123.02 3kyc s ILE 637 Ca -0.08 -0.40 -0.30 0.00 0.00 0.00 0.00 60.65 59.87 3kyc s ILE 637 Cb -0.15 -2.64 -0.09 0.00 0.01 0.00 0.00 42.46 39.59 3kyc s ILE 637 CO -0.00 0.51 0.92 0.00 0.00 0.00 0.00 174.94 176.37 3kyc s ALA 638 N 0.20 3.34 0.00 9.38 0.00 -1.26 -5.02 121.76 128.40 3kyc s ALA 638 Ca -0.03 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.52 3kyc s ALA 638 Cb -0.14 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.79 3kyc s ALA 638 CO 0.03 0.20 0.00 1.28 0.00 0.00 0.00 175.76 177.27 3kyc n LEU 639 N 1.59 0.00 0.00 0.00 4.77 -1.26 -5.37 117.00 116.73 3kyc n LEU 639 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3kyc n LEU 639 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3kyc n LEU 639 CO 0.50 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.89