#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kof s ASP 3 N 0.00 5.62 0.47 3.42 -4.77 -1.26 -3.28 116.67 116.87 3kof s ASP 3 Ca 0.00 -0.35 0.17 0.00 -3.30 0.00 0.00 52.55 49.08 3kof s ASP 3 Cb 0.00 -1.11 1.14 0.00 -1.09 0.00 0.00 42.92 41.87 3kof s ASP 3 CO 0.00 -0.38 2.04 0.11 0.70 0.00 0.00 175.17 177.64 3kof h LYS 4 N 1.09 0.00 -0.18 2.11 1.57 -0.64 -1.96 116.57 118.55 3kof h LYS 4 Ca -0.45 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.28 3kof h LYS 4 Cb 1.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 3kof h LYS 4 CO 0.56 0.14 -0.06 1.25 -0.57 0.00 0.00 179.45 180.77 3kof h LEU 5 N 0.00 0.37 -0.57 2.94 5.85 -1.80 0.48 115.31 122.58 3kof h LEU 5 Ca -0.00 -0.39 0.04 0.00 0.84 0.00 0.00 57.88 58.38 3kof h LEU 5 Cb 0.26 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 3kof h LEU 5 CO 0.02 0.67 0.32 0.74 -0.34 0.00 0.00 178.44 179.85 3kof h THR 6 N 0.07 1.00 -0.21 1.05 2.02 -1.85 -2.44 112.91 112.55 3kof h THR 6 Ca 0.04 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 3kof h THR 6 Cb 0.52 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3kof h THR 6 CO 0.02 0.11 0.08 -1.28 0.37 0.00 0.00 175.52 174.82 3kof h SER 7 N 0.61 0.29 -0.78 4.18 0.87 -1.15 -2.86 113.55 114.71 3kof h SER 7 Ca 0.24 -0.18 0.13 0.00 -1.23 0.00 0.00 61.79 60.76 3kof h SER 7 Cb 0.11 -0.08 -0.09 0.00 -0.44 0.00 0.00 62.40 61.91 3kof h SER 7 CO -0.14 0.39 0.37 0.25 -0.53 0.00 0.00 176.83 177.17 3kof h LEU 8 N 0.17 0.44 -2.12 2.23 5.85 -0.83 -1.46 115.31 119.59 3kof h LEU 8 Ca 0.07 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3kof h LEU 8 Cb 0.19 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.24 3kof h LEU 8 CO -0.00 0.20 0.04 0.03 -0.34 0.00 0.00 178.44 178.37 3kof h ARG 9 N 0.57 0.00 -0.57 1.25 3.08 -1.19 0.14 114.38 117.65 3kof h ARG 9 Ca 0.41 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.45 3kof h ARG 9 Cb 0.56 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 3kof h ARG 9 CO -0.35 0.00 0.31 1.96 -1.07 0.00 0.00 179.97 180.82 3kof h GLN 10 N 0.00 0.79 0.00 0.04 4.20 -1.29 -3.35 115.11 115.50 3kof h GLN 10 Ca 0.00 -0.08 -0.12 0.00 0.06 0.00 0.00 58.65 58.51 3kof h GLN 10 Cb 0.08 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3kof h GLN 10 CO 0.00 0.59 -1.70 0.66 -0.67 0.00 0.00 178.83 177.71 3kof n TYR 11 N -4.39 0.00 -3.99 2.96 4.01 0.38 -5.03 117.16 111.10 3kof n TYR 11 Ca 0.05 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.66 3kof n TYR 11 Cb 0.10 -0.45 -0.14 0.00 -0.31 0.00 0.00 39.34 38.54 3kof n TYR 11 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3kof s THR 12 N -2.53 0.17 -0.19 -0.72 2.01 -0.51 -4.15 115.64 109.72 3kof s THR 12 Ca -0.05 -0.09 -0.29 0.00 0.31 0.00 0.00 61.69 61.57 3kof s THR 12 Cb 0.05 -0.15 -0.01 0.00 0.01 0.00 0.00 72.50 72.41 3kof s THR 12 CO 0.50 0.05 1.22 -0.89 -0.69 0.00 0.00 174.62 174.81 3kof s THR 13 N -0.03 4.34 -0.08 -0.82 2.01 -0.57 -4.11 115.64 116.39 3kof s THR 13 Ca 0.01 1.61 -0.22 0.00 0.31 0.00 0.00 61.69 63.40 3kof s THR 13 Cb -0.01 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 3kof s THR 13 CO -0.00 -0.18 0.64 -0.69 -0.69 0.00 0.00 174.62 173.70 3kof s VAL 14 N 3.54 5.08 -0.02 3.82 1.01 -1.26 -1.76 120.40 130.81 3kof s VAL 14 Ca 0.53 1.32 0.05 0.00 0.00 0.00 0.00 61.98 63.88 3kof s VAL 14 Cb -0.20 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.19 3kof s VAL 14 CO 0.14 0.28 -0.18 -0.69 0.00 0.00 0.00 175.10 174.64 3kof s VAL 15 N 0.72 1.45 -0.22 2.92 1.01 -0.24 -1.91 120.40 124.13 3kof s VAL 15 Ca 0.34 -0.77 -0.13 0.00 0.00 0.00 0.00 61.98 61.43 3kof s VAL 15 Cb -0.17 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 3kof s VAL 15 CO 0.16 0.41 0.26 0.00 0.00 0.00 0.00 175.10 175.94 3kof s ALA 16 N -0.32 3.59 -0.91 5.51 0.00 -0.99 -0.75 121.76 127.89 3kof s ALA 16 Ca 0.05 -0.71 -0.13 0.00 0.00 0.00 0.00 51.96 51.17 3kof s ALA 16 Cb -0.08 -2.45 0.23 0.00 0.00 0.00 0.00 23.12 20.82 3kof s ALA 16 CO -0.00 -0.21 0.88 0.34 0.00 0.00 0.00 175.76 176.77 3kof s ASP 17 N 0.99 6.89 -0.29 0.00 2.15 -0.08 -1.07 116.67 125.26 3kof s ASP 17 Ca 0.13 -2.87 -0.30 0.00 0.43 0.00 0.00 52.55 49.93 3kof s ASP 17 Cb -0.14 -2.22 0.19 0.00 -0.30 0.00 0.00 42.92 40.45 3kof s ASP 17 CO 0.06 -0.54 1.38 0.28 -0.17 0.00 0.00 175.17 176.18 3kof s THR 18 N -0.00 0.00 -2.50 1.71 -1.32 -0.58 -4.30 115.64 108.66 3kof s THR 18 Ca 0.22 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 60.94 3kof s THR 18 Cb -0.10 -1.00 0.44 0.00 -1.51 0.00 0.00 72.50 70.33 3kof s THR 18 CO -0.09 0.00 1.53 0.61 -2.21 0.00 0.00 174.62 174.47 3kof n GLY 19 N 0.44 0.56 3.55 6.08 0.00 -1.26 -4.61 105.19 109.95 3kof n GLY 19 Ca 0.01 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 3kof n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kof s ASP 20 N -1.75 6.36 0.59 1.61 -1.08 -1.26 -4.95 116.67 116.20 3kof s ASP 20 Ca 0.34 -0.09 0.30 0.00 -0.52 0.00 0.00 52.55 52.59 3kof s ASP 20 Cb 0.20 -2.31 1.85 0.00 -1.46 0.00 0.00 42.92 41.20 3kof s ASP 20 CO 0.30 -0.66 2.26 0.16 0.52 0.00 0.00 175.17 177.76 3kof h ILE 21 N 5.75 0.51 -0.87 4.11 3.07 -1.96 -2.45 117.51 125.67 3kof h ILE 21 Ca -0.26 -0.00 0.12 0.00 1.55 0.00 0.00 64.86 66.27 3kof h ILE 21 Cb 1.11 1.00 -0.08 0.00 -0.27 0.00 0.00 36.82 38.57 3kof h ILE 21 CO 0.85 0.00 0.49 0.00 -1.05 0.00 0.00 178.15 178.44 3kof h ALA 22 N 2.00 1.29 -0.40 0.16 0.00 -2.00 -0.80 119.26 119.50 3kof h ALA 22 Ca -0.00 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3kof h ALA 22 Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3kof h ALA 22 CO 0.00 0.05 0.05 0.00 0.00 0.00 0.00 179.25 179.35 3kof h ALA 23 N 1.51 1.34 -0.42 0.00 0.00 -1.87 -1.47 119.26 118.35 3kof h ALA 23 Ca 0.44 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 3kof h ALA 23 Cb 0.50 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3kof h ALA 23 CO -0.29 0.46 -0.04 0.52 0.00 0.00 0.00 179.25 179.90 3kof h MET 24 N 0.59 0.77 -0.37 0.00 2.86 -1.26 0.16 114.93 117.68 3kof h MET 24 Ca 0.13 -0.27 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 3kof h MET 24 Cb 0.30 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 3kof h MET 24 CO 0.01 0.87 0.05 0.87 1.06 0.00 0.00 176.91 179.76 3kof h LYS 25 N 0.60 0.63 -0.20 1.72 1.57 -1.30 0.93 116.57 120.53 3kof h LYS 25 Ca 0.11 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 3kof h LYS 25 Cb 0.55 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 3kof h LYS 25 CO 0.03 0.70 -0.17 1.25 -0.57 0.00 0.00 179.45 180.69 3kof h LEU 26 N 0.47 0.49 -0.22 2.94 5.85 -1.04 -3.33 115.31 120.47 3kof h LEU 26 Ca 0.11 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3kof h LEU 26 Cb 0.38 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3kof h LEU 26 CO 0.01 0.85 -0.74 -1.22 -0.34 0.00 0.00 178.44 177.00 3kof n TYR 27 N -4.48 0.00 -3.91 1.25 4.01 0.53 -5.02 117.16 109.54 3kof n TYR 27 Ca -0.05 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.36 3kof n TYR 27 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 3kof n TYR 27 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3kof n GLN 28 N -1.11 -1.69 -1.68 -0.72 6.02 0.32 -4.95 117.38 113.57 3kof n GLN 28 Ca 0.04 0.33 -0.30 0.00 -0.01 0.00 0.00 57.00 57.06 3kof n GLN 28 Cb 0.30 -3.88 0.06 0.00 1.02 0.00 0.00 30.24 27.75 3kof n GLN 28 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3kof s PRO 29 N -6.60 2.59 -0.00 -1.09 0.04 -1.26 -5.00 135.00 123.68 3kof s PRO 29 Ca 0.28 0.64 -0.22 0.00 0.04 0.00 0.00 61.00 61.74 3kof s PRO 29 Cb -0.12 -1.97 -0.19 0.00 0.04 0.00 0.00 34.50 32.26 3kof s PRO 29 CO 0.91 -1.27 1.20 0.37 0.04 0.00 0.00 177.00 178.24 3kof h GLN 30 N -0.83 0.28 -5.38 4.56 5.75 -1.75 -3.39 115.11 114.34 3kof h GLN 30 Ca -0.46 -0.21 -0.58 0.00 -0.15 0.00 0.00 58.65 57.25 3kof h GLN 30 Cb 1.25 0.04 -0.13 0.00 1.07 0.00 0.00 27.48 29.70 3kof h GLN 30 CO 0.60 0.83 -0.58 -0.51 -2.65 0.00 0.00 178.83 176.53 3kof s ASP 31 N -6.24 3.35 0.06 -0.69 1.01 -1.25 -0.21 116.67 112.69 3kof s ASP 31 Ca -0.15 -1.46 0.03 0.00 0.71 0.00 0.00 52.55 51.69 3kof s ASP 31 Cb 0.03 -0.04 -0.03 0.00 1.01 0.00 0.00 42.92 43.90 3kof s ASP 31 CO 0.75 -0.62 -0.10 0.00 0.21 0.00 0.00 175.17 175.41 3kof s ALA 32 N -2.97 0.83 -0.05 5.23 0.00 -0.30 -2.34 121.76 122.16 3kof s ALA 32 Ca 0.29 -0.91 0.06 0.00 0.00 0.00 0.00 51.96 51.39 3kof s ALA 32 Cb 0.07 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 3kof s ALA 32 CO 0.14 0.02 -0.23 0.95 0.00 0.00 0.00 175.76 176.65 3kof s THR 33 N -1.58 2.31 0.44 0.00 -4.23 -0.23 -1.61 115.64 110.75 3kof s THR 33 Ca -0.05 -0.99 0.06 0.00 -1.18 0.00 0.00 61.69 59.53 3kof s THR 33 Cb -0.08 -1.85 -0.04 0.00 1.34 0.00 0.00 72.50 71.86 3kof s THR 33 CO 0.01 0.57 0.13 0.42 -0.54 0.00 0.00 174.62 175.21 3kof s THR 34 N -0.37 1.96 0.30 3.99 -4.23 -0.68 -1.53 115.64 115.08 3kof s THR 34 Ca 0.03 -1.80 -0.12 0.00 -1.18 0.00 0.00 61.69 58.61 3kof s THR 34 Cb -0.12 -2.76 0.01 0.00 1.34 0.00 0.00 72.50 70.97 3kof s THR 34 CO 0.02 0.00 0.57 0.54 -0.54 0.00 0.00 174.62 175.21 3kof s ASN 35 N -3.89 0.11 0.51 3.99 2.20 -1.26 -4.54 114.94 112.05 3kof s ASN 35 Ca 0.33 -1.03 0.17 0.00 -0.94 0.00 0.00 52.86 51.38 3kof s ASN 35 Cb 0.04 0.67 1.25 0.00 -2.00 0.00 0.00 41.25 41.21 3kof s ASN 35 CO 0.18 -1.30 2.12 -0.65 -2.94 0.00 0.00 177.10 174.50 3kof h PRO 36 N 2.14 0.05 -0.24 3.55 0.11 -1.90 -0.75 132.00 134.97 3kof h PRO 36 Ca -0.26 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.72 3kof h PRO 36 Cb 1.25 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3kof h PRO 36 CO 0.35 0.03 -0.32 1.03 -0.21 0.00 0.00 178.00 178.88 3kof h SER 37 N 0.05 0.69 0.28 -2.05 0.87 -1.93 -2.05 113.55 109.41 3kof h SER 37 Ca 0.06 -0.51 -0.13 0.00 -1.23 0.00 0.00 61.79 59.97 3kof h SER 37 Cb 0.16 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 3kof h SER 37 CO -0.00 1.06 -0.53 -0.07 -0.53 0.00 0.00 176.83 176.76 3kof h LEU 38 N 0.34 0.31 -0.49 2.23 3.38 -1.77 -0.83 115.31 118.48 3kof h LEU 38 Ca 0.03 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 3kof h LEU 38 Cb 0.90 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 3kof h LEU 38 CO 0.08 0.78 -0.07 0.40 0.09 0.00 0.00 178.44 179.72 3kof h ILE 39 N 0.22 1.27 -0.48 1.22 1.08 -1.18 0.54 117.51 120.17 3kof h ILE 39 Ca 0.00 -1.18 -0.05 0.00 -0.39 0.00 0.00 64.86 63.25 3kof h ILE 39 Cb 1.01 1.04 -0.02 0.00 -3.07 0.00 0.00 36.82 35.78 3kof h ILE 39 CO 0.08 0.41 0.11 0.25 -0.69 0.00 0.00 178.15 178.31 3kof h LEU 40 N 0.76 0.74 -0.30 1.44 5.85 -1.08 -0.71 115.31 122.01 3kof h LEU 40 Ca 0.13 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 3kof h LEU 40 Cb 0.60 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3kof h LEU 40 CO 0.04 0.79 0.12 0.78 -0.34 0.00 0.00 178.44 179.83 3kof h ASN 41 N 0.66 0.40 -0.63 1.25 2.35 -1.11 -2.89 115.58 115.62 3kof h ASN 41 Ca 0.15 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3kof h ASN 41 Cb 0.35 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 3kof h ASN 41 CO 0.00 0.45 0.41 0.00 -1.65 0.00 0.00 177.43 176.64 3kof h ALA 42 N 0.97 1.52 0.00 -0.83 0.00 -0.67 -1.65 119.26 118.60 3kof h ALA 42 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kof h ALA 42 Cb 0.17 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3kof h ALA 42 CO -0.01 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.68 3kof h ALA 43 N 1.58 1.00 -0.01 0.00 0.00 -0.91 -0.66 119.26 120.27 3kof h ALA 43 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3kof h ALA 43 Cb -0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3kof h ALA 43 CO -0.05 0.00 -0.22 1.04 0.00 0.00 0.00 179.25 180.02 3kof n GLN 44 N -2.98 0.96 -2.20 0.00 3.00 -0.62 -4.78 117.38 110.76 3kof n GLN 44 Ca -0.02 -0.56 -0.42 0.00 -0.01 0.00 0.00 57.00 55.98 3kof n GLN 44 Cb 0.09 -1.49 -0.03 0.00 0.00 0.00 0.00 30.24 28.81 3kof n GLN 44 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 3kof s ILE 45 N -2.43 3.73 0.31 5.09 1.01 -0.26 -4.92 121.20 123.74 3kof s ILE 45 Ca 0.26 1.06 0.04 0.00 0.00 0.00 0.00 60.65 62.01 3kof s ILE 45 Cb 0.19 -3.68 0.30 0.00 0.01 0.00 0.00 42.46 39.28 3kof s ILE 45 CO 0.49 -0.03 1.86 -0.65 0.00 0.00 0.00 174.94 176.61 3kof h PRO 46 N 8.20 0.86 0.00 2.79 0.11 -1.88 -0.88 132.00 141.19 3kof h PRO 46 Ca -0.37 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3kof h PRO 46 Cb 1.17 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3kof h PRO 46 CO 0.92 0.57 0.00 0.39 -0.21 0.00 0.00 178.00 179.67 3kof n GLU 47 N -4.58 0.11 0.00 1.05 1.02 -1.26 -1.70 120.64 115.27 3kof n GLU 47 Ca 0.18 0.32 0.14 0.00 -0.02 0.00 0.00 57.16 57.79 3kof n GLU 47 Cb 0.38 -1.70 0.65 0.00 -0.02 0.00 0.00 31.44 30.75 3kof n GLU 47 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3kof n TYR 48 N -1.90 0.00 -0.32 -0.32 4.02 -0.34 -4.01 117.16 114.28 3kof n TYR 48 Ca 0.03 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.03 3kof n TYR 48 Cb 0.22 -0.10 0.32 0.00 -0.02 0.00 0.00 39.34 39.76 3kof n TYR 48 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 3kof h ARG 49 N 0.89 0.78 -0.86 -0.72 9.65 -1.37 0.36 114.38 123.11 3kof h ARG 49 Ca 0.00 -0.05 0.04 0.00 -1.10 0.00 0.00 59.98 58.88 3kof h ARG 49 Cb 0.32 -0.18 -0.05 0.00 -1.39 0.00 0.00 29.97 28.67 3kof h ARG 49 CO 0.00 0.52 0.55 -0.22 2.80 0.00 0.00 179.97 183.62 3kof h LYS 50 N 0.81 1.01 -0.66 0.20 3.64 -1.81 -0.50 116.57 119.26 3kof h LYS 50 Ca 0.50 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.79 3kof h LYS 50 Cb 0.69 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 3kof h LYS 50 CO -0.26 0.67 0.31 -0.07 -2.27 0.00 0.00 179.45 177.83 3kof h LEU 51 N 1.04 0.88 -0.40 5.20 3.38 -1.21 0.77 115.31 124.96 3kof h LEU 51 Ca 0.36 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 3kof h LEU 51 Cb 0.06 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3kof h LEU 51 CO -0.14 0.77 0.09 0.40 0.09 0.00 0.00 178.44 179.65 3kof h ILE 52 N 0.92 1.23 -0.54 1.22 2.04 -1.02 -1.35 117.51 120.01 3kof h ILE 52 Ca 0.23 -0.81 -0.05 0.00 1.00 0.00 0.00 64.86 65.22 3kof h ILE 52 Cb 0.14 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 3kof h ILE 52 CO -0.03 0.28 0.13 0.44 0.00 0.00 0.00 178.15 178.97 3kof h ASP 53 N 0.51 0.82 -0.52 1.72 3.32 -0.94 -1.35 116.42 119.98 3kof h ASP 53 Ca 0.12 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 3kof h ASP 53 Cb 0.33 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 3kof h ASP 53 CO 0.00 0.85 0.31 0.44 -1.72 0.00 0.00 179.24 179.12 3kof h ASP 54 N 0.76 0.63 -0.45 6.45 3.32 -0.66 -0.33 116.42 126.15 3kof h ASP 54 Ca 0.17 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.16 3kof h ASP 54 Cb 0.35 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3kof h ASP 54 CO 0.00 0.51 0.29 0.00 -1.72 0.00 0.00 179.24 178.33 3kof h ALA 55 N 1.15 0.57 0.01 3.45 0.00 -1.09 0.54 119.26 123.89 3kof h ALA 55 Ca 0.19 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3kof h ALA 55 Cb 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3kof h ALA 55 CO -0.03 0.00 -0.00 0.28 0.00 0.00 0.00 179.25 179.50 3kof h VAL 56 N 0.59 1.28 -0.84 0.00 2.07 -1.03 0.15 116.25 118.48 3kof h VAL 56 Ca 0.17 -0.87 0.09 0.00 0.82 0.00 0.00 66.70 66.90 3kof h VAL 56 Cb -0.06 1.87 -0.07 0.00 -1.52 0.00 0.00 31.29 31.52 3kof h VAL 56 CO -0.04 0.23 0.49 0.00 0.02 0.00 0.00 177.57 178.26 3kof h ALA 57 N 0.60 1.18 -0.58 1.67 0.00 -1.03 0.61 119.26 121.72 3kof h ALA 57 Ca -0.00 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3kof h ALA 57 Cb 0.38 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3kof h ALA 57 CO 0.00 0.15 0.05 2.35 0.00 0.00 0.00 179.25 181.79 3kof h TRP 58 N 0.84 1.06 -0.59 0.00 7.01 -0.65 -2.74 115.95 120.88 3kof h TRP 58 Ca 0.39 -0.17 -0.06 0.00 2.11 0.00 0.00 58.89 61.17 3kof h TRP 58 Cb 0.31 -0.28 -0.03 0.00 -2.10 0.00 0.00 29.16 27.06 3kof h TRP 58 CO -0.05 0.94 0.15 0.00 -2.79 0.00 0.00 178.44 176.68 3kof h ALA 59 N 0.99 1.14 0.00 2.65 0.00 0.02 -2.60 119.26 121.45 3kof h ALA 59 Ca 0.17 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3kof h ALA 59 Cb 0.49 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3kof h ALA 59 CO 0.02 0.58 -0.09 0.87 0.00 0.00 0.00 179.25 180.63 3kof h LYS 60 N 0.89 0.00 -0.73 0.00 1.57 -0.67 -2.15 116.57 115.48 3kof h LYS 60 Ca 0.19 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.85 3kof h LYS 60 Cb 0.32 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.55 3kof h LYS 60 CO -0.00 0.09 0.15 1.04 -0.57 0.00 0.00 179.45 180.16 3kof n GLN 61 N -3.44 3.86 -0.02 3.15 6.02 -0.98 -4.25 117.38 121.71 3kof n GLN 61 Ca -0.01 -2.77 -0.02 0.00 -0.01 0.00 0.00 57.00 54.19 3kof n GLN 61 Cb 0.24 -2.15 -0.03 0.00 1.02 0.00 0.00 30.24 29.32 3kof n GLN 61 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3kof n GLN 62 N 0.16 3.38 -3.58 -1.09 1.13 -0.81 -5.07 117.38 111.50 3kof n GLN 62 Ca 0.32 -0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 55.28 3kof n GLN 62 Cb 1.22 -1.09 -0.02 0.00 0.11 0.00 0.00 30.24 30.45 3kof n GLN 62 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3kof s SER 63 N -3.41 -0.43 0.00 1.08 1.04 -1.19 -5.00 113.70 105.79 3kof s SER 63 Ca -0.02 -0.22 0.23 0.00 0.48 0.00 0.00 55.95 56.41 3kof s SER 63 Cb 0.01 0.61 0.56 0.00 0.10 0.00 0.00 66.02 67.30 3kof s SER 63 CO 0.14 -1.05 1.48 0.59 0.98 0.00 0.00 173.24 175.38 3kof n ASN 64 N -0.38 3.66 -4.61 7.02 4.13 -1.26 -4.64 115.26 119.17 3kof n ASN 64 Ca -0.13 -1.99 -0.38 0.00 1.68 0.00 0.00 54.58 53.75 3kof n ASN 64 Cb 0.63 -0.38 -0.10 0.00 -1.54 0.00 0.00 39.78 38.39 3kof n ASN 64 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3kof s ASP 65 N -1.20 6.16 0.15 6.41 2.15 -1.26 -5.00 116.67 124.08 3kof s ASP 65 Ca 0.44 0.17 -0.17 0.00 0.43 0.00 0.00 52.55 53.42 3kof s ASP 65 Cb 0.24 -2.17 0.01 0.00 -0.30 0.00 0.00 42.92 40.71 3kof s ASP 65 CO 0.32 -0.10 1.78 -0.09 -0.17 0.00 0.00 175.17 176.91 3kof h ARG 66 N 8.11 0.34 -0.47 4.34 2.43 -1.99 -0.13 114.38 127.02 3kof h ARG 66 Ca -0.34 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 58.77 3kof h ARG 66 Cb 1.17 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.62 3kof h ARG 66 CO 0.61 0.23 0.11 0.00 -1.51 0.00 0.00 179.97 179.41 3kof h ALA 67 N 1.16 1.31 -0.08 2.80 0.00 -2.00 -1.78 119.26 120.67 3kof h ALA 67 Ca 0.13 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 3kof h ALA 67 Cb 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3kof h ALA 67 CO -0.08 0.49 -0.81 0.37 0.00 0.00 0.00 179.25 179.21 3kof h GLN 68 N 0.69 0.57 -0.92 0.00 5.75 -1.90 -2.99 115.11 116.32 3kof h GLN 68 Ca 0.16 -0.50 -0.01 0.00 -0.15 0.00 0.00 58.65 58.15 3kof h GLN 68 Cb 0.26 0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.88 3kof h GLN 68 CO -0.00 1.12 0.54 1.96 -2.65 0.00 0.00 178.83 179.80 3kof h GLN 69 N 0.37 1.25 -0.42 1.69 4.20 -0.76 0.17 115.11 121.61 3kof h GLN 69 Ca -0.06 -0.12 0.07 0.00 0.06 0.00 0.00 58.65 58.60 3kof h GLN 69 Cb 1.42 -0.26 -0.06 0.00 0.30 0.00 0.00 27.48 28.89 3kof h GLN 69 CO 0.15 0.89 0.08 0.82 -0.67 0.00 0.00 178.83 180.09 3kof h ILE 70 N 1.27 0.78 0.27 2.54 2.04 -1.30 0.12 117.51 123.22 3kof h ILE 70 Ca 0.33 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 66.10 3kof h ILE 70 Cb -0.03 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 3kof h ILE 70 CO -0.06 0.04 -0.13 0.58 0.00 0.00 0.00 178.15 178.58 3kof h VAL 71 N 0.21 0.77 -1.00 1.67 2.07 -1.25 -1.29 116.25 117.43 3kof h VAL 71 Ca 0.20 -0.58 0.09 0.00 0.82 0.00 0.00 66.70 67.24 3kof h VAL 71 Cb 0.25 1.08 -0.08 0.00 -1.52 0.00 0.00 31.29 31.03 3kof h VAL 71 CO -0.27 0.12 0.64 0.44 0.02 0.00 0.00 177.57 178.52 3kof h ASP 72 N -0.68 0.98 -0.09 0.57 3.32 -0.66 -0.68 116.42 119.19 3kof h ASP 72 Ca -0.04 0.03 -0.21 0.00 0.02 0.00 0.00 57.03 56.83 3kof h ASP 72 Cb 0.47 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.85 3kof h ASP 72 CO 0.06 0.58 -0.75 0.00 -1.72 0.00 0.00 179.24 177.41 3kof h ALA 73 N 1.49 0.38 -0.11 3.45 0.00 -0.67 0.05 119.26 123.85 3kof h ALA 73 Ca 0.46 -0.59 -0.16 0.00 0.00 0.00 0.00 54.91 54.62 3kof h ALA 73 Cb 0.32 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3kof h ALA 73 CO -0.22 0.70 -0.62 1.79 0.00 0.00 0.00 179.25 180.90 3kof h THR 74 N 0.51 1.36 -0.15 0.00 1.35 -1.01 0.02 112.91 114.99 3kof h THR 74 Ca -0.04 -1.97 -0.04 0.00 -0.55 0.00 0.00 66.41 63.81 3kof h THR 74 Cb 1.37 1.96 -0.00 0.00 -1.73 0.00 0.00 68.15 69.75 3kof h THR 74 CO 0.15 0.59 -0.06 0.44 -0.25 0.00 0.00 175.52 176.39 3kof h ASP 75 N 0.28 0.32 -0.54 5.36 3.32 -1.10 -2.95 116.42 121.11 3kof h ASP 75 Ca -0.01 -0.40 -0.05 0.00 0.02 0.00 0.00 57.03 56.59 3kof h ASP 75 Cb 1.16 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.60 3kof h ASP 75 CO 0.11 0.65 0.15 0.50 -1.72 0.00 0.00 179.24 178.92 3kof h LYS 76 N -0.01 0.90 -0.45 3.56 1.63 -0.90 -2.48 116.57 118.82 3kof h LYS 76 Ca 0.04 -0.19 -0.01 0.00 -0.85 0.00 0.00 60.65 59.64 3kof h LYS 76 Cb 0.52 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.00 3kof h LYS 76 CO 0.02 0.81 0.26 1.25 -3.45 0.00 0.00 179.45 178.34 3kof h LEU 77 N 0.87 0.55 -0.81 5.20 5.85 -1.00 0.23 115.31 126.21 3kof h LEU 77 Ca 0.19 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 3kof h LEU 77 Cb 0.31 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 3kof h LEU 77 CO -0.00 0.46 0.42 0.00 -0.34 0.00 0.00 178.44 178.98 3kof h ALA 78 N 1.11 1.04 -0.28 1.25 0.00 -1.30 -0.85 119.26 120.24 3kof h ALA 78 Ca 0.16 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3kof h ALA 78 Cb 0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3kof h ALA 78 CO -0.03 0.57 -0.44 0.28 0.00 0.00 0.00 179.25 179.63 3kof h VAL 79 N 1.13 1.29 -0.56 0.00 2.07 -1.24 -1.80 116.25 117.15 3kof h VAL 79 Ca 0.28 -1.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.17 3kof h VAL 79 Cb 0.07 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3kof h VAL 79 CO -0.04 0.52 0.31 0.78 0.02 0.00 0.00 177.57 179.16 3kof h ASN 80 N 0.56 0.69 -0.35 0.57 2.35 0.14 0.20 115.58 119.75 3kof h ASN 80 Ca 0.04 -0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.72 3kof h ASN 80 Cb 0.98 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.16 3kof h ASN 80 CO 0.09 0.57 0.21 0.40 -1.65 0.00 0.00 177.43 177.06 3kof h ILE 81 N 0.75 1.06 -0.77 2.81 2.04 -1.17 -2.39 117.51 119.84 3kof h ILE 81 Ca 0.20 -0.15 0.09 0.00 1.00 0.00 0.00 64.86 66.00 3kof h ILE 81 Cb 0.03 0.58 -0.07 0.00 -0.74 0.00 0.00 36.82 36.62 3kof h ILE 81 CO -0.03 0.08 0.41 1.23 0.00 0.00 0.00 178.15 179.84 3kof h GLY 82 N 0.44 1.17 1.28 5.37 0.00 -0.67 -1.85 103.07 108.80 3kof h GLY 82 Ca 0.13 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.15 3kof h GLY 82 CO -0.05 0.09 0.17 1.41 0.00 0.00 0.00 176.54 178.16 3kof h LEU 83 N 0.69 0.85 -0.68 3.11 3.38 -0.36 0.35 115.31 122.65 3kof h LEU 83 Ca 0.37 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 58.07 3kof h LEU 83 Cb 0.37 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3kof h LEU 83 CO -0.26 0.81 -0.35 -0.33 0.09 0.00 0.00 178.44 178.40 3kof h GLU 84 N 0.88 0.63 -0.36 1.13 4.39 -0.98 -2.85 114.58 117.41 3kof h GLU 84 Ca 0.20 -0.30 -0.12 0.00 0.34 0.00 0.00 59.36 59.47 3kof h GLU 84 Cb 0.28 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 3kof h GLU 84 CO -0.01 0.89 -0.26 0.82 -1.16 0.00 0.00 179.01 179.30 3kof h ILE 85 N 0.53 1.28 0.00 3.13 2.04 -0.90 -3.11 117.51 120.48 3kof h ILE 85 Ca 0.05 -1.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.50 3kof h ILE 85 Cb 0.85 1.39 -0.00 0.00 -0.74 0.00 0.00 36.82 38.32 3kof h ILE 85 CO 0.07 0.47 -0.04 -0.07 0.00 0.00 0.00 178.15 178.58 3kof h LEU 86 N 0.61 0.00 -2.16 1.44 3.38 -0.86 0.16 115.31 117.88 3kof h LEU 86 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3kof h LEU 86 Cb 0.82 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 3kof h LEU 86 CO 0.07 0.04 -0.05 0.11 0.09 0.00 0.00 178.44 178.69 3kof h LYS 87 N 0.00 0.00 -0.00 1.13 1.57 -1.43 -3.24 116.57 114.60 3kof h LYS 87 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kof h LYS 87 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3kof h LYS 87 CO 0.00 0.05 -0.02 1.28 -0.57 0.00 0.00 179.45 180.19 3kof n LEU 88 N -3.37 1.08 -4.06 2.94 4.77 0.48 -4.98 117.00 113.87 3kof n LEU 88 Ca -0.02 -0.92 -0.17 0.00 -0.03 0.00 0.00 56.01 54.87 3kof n LEU 88 Cb 0.19 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.15 3kof n LEU 88 CO 0.26 0.24 -0.43 0.68 -1.33 0.00 0.00 177.39 176.82 3kof s VAL 89 N -0.43 0.73 -0.59 4.08 -7.23 -0.70 -4.80 120.40 111.47 3kof s VAL 89 Ca 0.03 -0.71 0.24 0.00 -1.81 0.00 0.00 61.98 59.73 3kof s VAL 89 Cb 0.03 -0.68 0.05 0.00 0.56 0.00 0.00 36.38 36.34 3kof s VAL 89 CO 0.05 -0.02 1.29 1.55 -0.31 0.00 0.00 175.10 177.66 3kof h PRO 90 N 5.29 0.00 0.00 4.82 0.13 -1.76 -3.43 132.00 137.05 3kof h PRO 90 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3kof h PRO 90 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3kof h PRO 90 CO 0.46 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.64 3kof n GLY 91 N 1.31 0.63 3.90 1.56 0.00 0.70 -5.05 105.19 108.24 3kof n GLY 91 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 3kof n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kof s ARG 92 N 3.81 3.65 -0.13 1.61 1.81 -1.25 -4.77 118.95 123.67 3kof s ARG 92 Ca 0.00 0.07 -0.02 0.00 -1.72 0.00 0.00 55.73 54.06 3kof s ARG 92 Cb 0.00 -2.61 -0.03 0.00 -0.45 0.00 0.00 34.95 31.87 3kof s ARG 92 CO 0.00 0.17 -0.05 -1.50 -0.68 0.00 0.00 175.30 173.24 3kof s ILE 93 N -2.13 3.77 -0.22 1.52 1.10 -0.23 -1.15 121.20 123.86 3kof s ILE 93 Ca 0.45 -0.42 -0.14 0.00 -0.51 0.00 0.00 60.65 60.04 3kof s ILE 93 Cb -0.11 -2.62 -0.04 0.00 0.15 0.00 0.00 42.46 39.84 3kof s ILE 93 CO 0.30 0.53 0.30 -0.44 -2.11 0.00 0.00 174.94 173.51 3kof s SER 94 N 0.05 6.30 -0.10 4.50 0.01 -0.63 -0.69 113.70 123.13 3kof s SER 94 Ca -0.01 0.34 0.02 0.00 1.31 0.00 0.00 55.95 57.61 3kof s SER 94 Cb -0.14 -2.18 0.02 0.00 0.21 0.00 0.00 66.02 63.93 3kof s SER 94 CO 0.03 -0.02 -0.14 -0.89 0.41 0.00 0.00 173.24 172.63 3kof s THR 95 N 1.22 1.40 -0.14 1.44 2.01 -0.56 -1.69 115.64 119.33 3kof s THR 95 Ca 0.14 -0.59 -0.11 0.00 0.31 0.00 0.00 61.69 61.44 3kof s THR 95 Cb -0.14 -1.29 -0.05 0.00 0.01 0.00 0.00 72.50 71.03 3kof s THR 95 CO 0.06 0.42 0.21 -0.70 -0.69 0.00 0.00 174.62 173.93 3kof s GLU 96 N 0.99 3.91 0.73 4.92 2.12 -1.26 -1.16 118.70 128.96 3kof s GLU 96 Ca -0.07 -0.03 -0.14 0.00 0.36 0.00 0.00 54.97 55.09 3kof s GLU 96 Cb -0.15 -3.32 0.04 0.00 0.26 0.00 0.00 34.13 30.97 3kof s GLU 96 CO -0.01 0.50 1.17 0.14 -0.54 0.00 0.00 175.26 176.51 3kof s VAL 97 N -0.27 2.61 -0.37 3.70 -7.23 -0.79 -4.81 120.40 113.24 3kof s VAL 97 Ca 0.15 0.28 -0.41 0.00 -1.81 0.00 0.00 61.98 60.19 3kof s VAL 97 Cb -0.13 -2.77 -0.16 0.00 0.56 0.00 0.00 36.38 33.89 3kof s VAL 97 CO 0.04 -0.18 1.92 -0.67 -0.31 0.00 0.00 175.10 175.89 3kof n ASP 98 N -2.85 1.83 0.27 4.85 -0.08 -1.26 -4.85 116.55 114.46 3kof n ASP 98 Ca 0.12 0.84 0.18 0.00 -1.51 0.00 0.00 54.79 54.42 3kof n ASP 98 Cb 0.51 -1.09 0.89 0.00 2.34 0.00 0.00 41.12 43.78 3kof n ASP 98 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3kof h ALA 99 N 8.60 1.00 0.00 -1.67 0.00 -1.90 -1.87 119.26 123.42 3kof h ALA 99 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3kof h ALA 99 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3kof h ALA 99 CO 1.01 0.00 0.00 0.54 0.00 0.00 0.00 179.25 180.80 3kof n ARG 100 N -2.84 0.07 -0.23 0.00 1.74 -1.26 -1.97 116.66 112.17 3kof n ARG 100 Ca -0.01 0.51 0.12 0.00 -0.77 0.00 0.00 57.85 57.70 3kof n ARG 100 Cb 0.14 -1.70 0.25 0.00 -1.02 0.00 0.00 32.46 30.13 3kof n ARG 100 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3kof n LEU 101 N -1.85 3.40 0.27 0.55 4.77 -0.70 -4.68 117.00 118.76 3kof n LEU 101 Ca 0.00 -1.53 0.13 0.00 -0.03 0.00 0.00 56.01 54.58 3kof n LEU 101 Cb 0.06 -0.30 0.78 0.00 -2.33 0.00 0.00 43.42 41.63 3kof n LEU 101 CO 0.07 0.76 1.02 0.28 -1.33 0.00 0.00 177.39 178.20 3kof h SER 102 N 4.20 0.00 -0.38 -1.43 0.02 -1.59 -1.22 113.55 113.15 3kof h SER 102 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 3kof h SER 102 Cb 0.94 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.45 3kof h SER 102 CO 0.00 0.08 0.02 -1.22 -1.14 0.00 0.00 176.83 174.58 3kof n TYR 103 N -3.77 1.33 -3.80 3.45 4.01 -1.26 -3.84 117.16 113.28 3kof n TYR 103 Ca -0.02 -0.95 -0.30 0.00 -0.16 0.00 0.00 57.90 56.47 3kof n TYR 103 Cb 0.18 -0.41 -0.15 0.00 -0.31 0.00 0.00 39.34 38.65 3kof n TYR 103 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3kof s ASP 104 N -1.69 3.92 0.08 7.72 -1.08 -0.46 -4.92 116.67 120.24 3kof s ASP 104 Ca 0.46 -1.49 -0.20 0.00 -0.52 0.00 0.00 52.55 50.80 3kof s ASP 104 Cb 0.37 -0.97 -0.09 0.00 -1.46 0.00 0.00 42.92 40.78 3kof s ASP 104 CO 0.10 -0.36 1.56 0.74 0.52 0.00 0.00 175.17 177.72 3kof h THR 105 N 6.54 1.22 -0.42 1.71 2.02 -1.81 -1.45 112.91 120.72 3kof h THR 105 Ca -0.14 -0.73 -0.10 0.00 0.77 0.00 0.00 66.41 66.22 3kof h THR 105 Cb 1.04 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.73 3kof h THR 105 CO 0.45 0.23 -0.12 -0.33 0.37 0.00 0.00 175.52 176.12 3kof h GLU 106 N 0.16 0.82 -0.18 6.66 4.39 -1.95 -0.70 114.58 123.78 3kof h GLU 106 Ca 0.07 -0.32 -0.07 0.00 0.34 0.00 0.00 59.36 59.37 3kof h GLU 106 Cb 0.31 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 3kof h GLU 106 CO 0.00 0.95 -0.20 0.00 -1.16 0.00 0.00 179.01 178.60 3kof h ALA 107 N 0.85 1.34 -0.08 3.43 0.00 -1.91 -1.19 119.26 121.70 3kof h ALA 107 Ca 0.10 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 3kof h ALA 107 Cb 0.66 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3kof h ALA 107 CO 0.04 0.45 -0.26 0.77 0.00 0.00 0.00 179.25 180.26 3kof h SER 108 N 0.28 0.36 -0.38 0.00 0.02 -0.88 -1.43 113.55 111.52 3kof h SER 108 Ca 0.05 -0.61 0.07 0.00 -0.84 0.00 0.00 61.79 60.46 3kof h SER 108 Cb 0.52 -0.11 -0.07 0.00 0.14 0.00 0.00 62.40 62.88 3kof h SER 108 CO 0.03 0.91 -0.06 0.40 -1.14 0.00 0.00 176.83 176.98 3kof h ILE 109 N -0.17 0.65 -0.80 3.27 2.04 -1.04 -0.47 117.51 120.99 3kof h ILE 109 Ca -0.01 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 65.86 3kof h ILE 109 Cb 0.88 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 3kof h ILE 109 CO 0.05 0.01 0.52 0.00 0.00 0.00 0.00 178.15 178.73 3kof h ALA 110 N 1.37 1.03 -0.30 1.87 0.00 -1.15 -1.07 119.26 121.00 3kof h ALA 110 Ca 0.19 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 3kof h ALA 110 Cb 0.28 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3kof h ALA 110 CO -0.36 0.37 -0.47 -0.22 0.00 0.00 0.00 179.25 178.57 3kof h LYS 111 N 1.04 0.82 -0.48 0.00 1.63 -0.90 -1.38 116.57 117.28 3kof h LYS 111 Ca 0.31 -0.47 0.02 0.00 -0.85 0.00 0.00 60.65 59.65 3kof h LYS 111 Cb -0.06 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.58 3kof h LYS 111 CO -0.09 1.11 0.29 0.00 -3.45 0.00 0.00 179.45 177.31 3kof h ALA 112 N 0.81 0.62 -0.71 5.00 0.00 -0.89 -1.78 119.26 122.31 3kof h ALA 112 Ca 0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3kof h ALA 112 Cb 1.06 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3kof h ALA 112 CO 0.11 -0.02 0.26 0.87 0.00 0.00 0.00 179.25 180.47 3kof h LYS 113 N 0.58 1.06 -0.49 0.00 1.57 -0.97 -1.18 116.57 117.13 3kof h LYS 113 Ca 0.19 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3kof h LYS 113 Cb 0.02 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 3kof h LYS 113 CO -0.09 0.88 0.28 -0.09 -0.57 0.00 0.00 179.45 179.86 3kof h ARG 114 N 1.03 0.67 -0.34 3.15 9.65 -1.02 0.63 114.38 128.16 3kof h ARG 114 Ca 0.23 -0.07 -0.10 0.00 -1.10 0.00 0.00 59.98 58.94 3kof h ARG 114 Cb 0.23 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.67 3kof h ARG 114 CO -0.02 0.51 -0.19 -0.07 2.80 0.00 0.00 179.97 183.01 3kof h LEU 115 N 0.65 0.75 -1.02 3.80 3.38 -1.12 -1.97 115.31 119.79 3kof h LEU 115 Ca 0.17 -0.42 0.08 0.00 0.09 0.00 0.00 57.88 57.81 3kof h LEU 115 Cb 0.02 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.49 3kof h LEU 115 CO -0.03 1.00 0.65 0.40 0.09 0.00 0.00 178.44 180.55 3kof h ILE 116 N 0.50 1.05 -0.80 1.22 1.08 -1.09 -1.02 117.51 118.45 3kof h ILE 116 Ca 0.07 -0.39 0.00 0.00 -0.39 0.00 0.00 64.86 64.16 3kof h ILE 116 Cb 0.73 -0.18 -0.04 0.00 -3.07 0.00 0.00 36.82 34.26 3kof h ILE 116 CO 0.05 0.21 0.50 0.50 -0.69 0.00 0.00 178.15 178.72 3kof h LYS 117 N 1.13 1.07 -0.30 2.37 3.64 -0.60 0.11 116.57 123.99 3kof h LYS 117 Ca 0.45 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.71 3kof h LYS 117 Cb 0.25 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3kof h LYS 117 CO -0.19 0.73 0.06 -0.07 -2.27 0.00 0.00 179.45 177.71 3kof h LEU 118 N 1.09 0.46 0.05 5.20 4.07 -0.75 0.21 115.31 125.64 3kof h LEU 118 Ca 0.29 -0.25 -0.00 0.00 0.08 0.00 0.00 57.88 58.00 3kof h LEU 118 Cb -0.08 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.54 3kof h LEU 118 CO -0.06 0.59 -0.03 1.88 -1.08 0.00 0.00 178.44 179.74 3kof h TYR 119 N 0.31 -0.07 -0.58 1.13 0.05 -1.03 -2.57 116.97 114.22 3kof h TYR 119 Ca 0.09 -0.00 0.10 0.00 0.05 0.00 0.00 58.73 58.97 3kof h TYR 119 Cb 0.32 0.02 -0.08 0.00 1.01 0.00 0.00 36.73 38.00 3kof h TYR 119 CO 0.02 0.04 0.17 -0.91 -1.05 0.00 0.00 178.16 176.43 3kof h ASN 120 N -0.16 0.11 0.12 3.88 2.35 -0.70 -0.47 115.58 120.71 3kof h ASN 120 Ca -0.01 0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 3kof h ASN 120 Cb 0.13 0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 3kof h ASN 120 CO 0.01 0.07 -0.04 0.44 -1.65 0.00 0.00 177.43 176.26 3kof h ASP 121 N 0.32 0.00 -0.11 5.81 3.32 -0.41 -0.21 116.42 125.14 3kof h ASP 121 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 3kof h ASP 121 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3kof h ASP 121 CO -0.34 0.04 0.00 0.00 -1.72 0.00 0.00 179.24 177.23 3kof n ALA 122 N -2.31 2.55 -0.51 3.45 0.00 -0.26 -4.91 120.51 118.51 3kof n ALA 122 Ca -0.03 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 52.98 3kof n ALA 122 Cb 0.14 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.43 3kof n ALA 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kof n GLY 123 N 1.08 0.72 3.64 0.00 0.00 -0.09 -5.06 105.19 105.49 3kof n GLY 123 Ca 0.17 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 3kof n GLY 123 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kof s ILE 124 N -2.00 4.72 0.41 -0.61 -1.09 -0.74 -5.00 121.20 116.90 3kof s ILE 124 Ca 0.00 -0.06 -0.07 0.00 -2.23 0.00 0.00 60.65 58.29 3kof s ILE 124 Cb 0.00 -3.11 -0.05 0.00 -1.58 0.00 0.00 42.46 37.72 3kof s ILE 124 CO 0.00 0.49 0.72 -0.55 -1.23 0.00 0.00 174.94 174.37 3kof s SER 125 N 0.15 6.41 0.55 3.58 0.15 -1.26 -3.15 113.70 120.13 3kof s SER 125 Ca 0.04 0.95 0.26 0.00 0.70 0.00 0.00 55.95 57.90 3kof s SER 125 Cb -0.12 -2.25 1.47 0.00 -1.71 0.00 0.00 66.02 63.40 3kof s SER 125 CO 0.01 -0.42 2.03 0.78 1.20 0.00 0.00 173.24 176.84 3kof h ASN 126 N 0.96 0.00 0.00 5.45 4.21 -1.93 -2.49 115.58 121.78 3kof h ASN 126 Ca -0.47 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.04 3kof h ASN 126 Cb 1.20 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.40 3kof h ASN 126 CO 0.63 0.00 0.00 -0.90 -1.29 0.00 0.00 177.43 175.87 3kof n ASP 127 N -4.16 0.00 -0.48 5.81 5.68 -1.26 -1.92 116.55 120.22 3kof n ASP 127 Ca 0.06 -0.80 0.06 0.00 -0.50 0.00 0.00 54.79 53.62 3kof n ASP 127 Cb 0.49 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.52 3kof n ASP 127 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3kof n ARG 128 N -0.95 0.84 -5.05 0.11 1.74 -0.94 -4.82 116.66 107.58 3kof n ARG 128 Ca 0.16 -1.20 -0.29 0.00 -0.77 0.00 0.00 57.85 55.75 3kof n ARG 128 Cb 0.07 -1.23 -0.16 0.00 -1.02 0.00 0.00 32.46 30.12 3kof n ARG 128 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3kof s ILE 129 N -1.09 1.76 -0.15 0.55 1.01 -0.81 -1.07 121.20 121.40 3kof s ILE 129 Ca 0.14 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.90 3kof s ILE 129 Cb 0.10 -1.50 -0.00 0.00 0.01 0.00 0.00 42.46 41.07 3kof s ILE 129 CO 0.17 0.49 -0.15 -0.76 0.00 0.00 0.00 174.94 174.70 3kof s LEU 130 N 0.02 2.53 -0.18 2.97 1.43 0.14 -4.43 118.68 121.15 3kof s LEU 130 Ca -0.06 -0.44 -0.20 0.00 -1.03 0.00 0.00 54.13 52.39 3kof s LEU 130 Cb -0.13 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 3kof s LEU 130 CO 0.04 0.09 0.59 -0.63 0.23 0.00 0.00 176.35 176.68 3kof s ILE 131 N 0.76 5.06 -0.22 -0.59 -1.09 -0.75 -1.49 121.20 122.86 3kof s ILE 131 Ca -0.06 1.13 -0.14 0.00 -2.23 0.00 0.00 60.65 59.35 3kof s ILE 131 Cb -0.15 -3.91 -0.04 0.00 -1.58 0.00 0.00 42.46 36.77 3kof s ILE 131 CO 0.01 0.15 0.31 -0.75 -1.23 0.00 0.00 174.94 173.43 3kof s LYS 132 N 1.68 4.12 -0.03 2.79 2.20 -0.30 -0.79 119.74 129.40 3kof s LYS 132 Ca 0.28 0.01 0.06 0.00 -0.36 0.00 0.00 55.97 55.96 3kof s LYS 132 Cb -0.16 -3.55 -0.01 0.00 -1.51 0.00 0.00 37.83 32.60 3kof s LYS 132 CO 0.11 -0.04 -0.20 -0.51 -0.36 0.00 0.00 175.35 174.35 3kof s LEU 133 N 1.32 2.02 0.32 5.43 1.02 -0.67 -1.88 118.68 126.24 3kof s LEU 133 Ca 0.14 -0.38 -0.29 0.00 0.02 0.00 0.00 54.13 53.62 3kof s LEU 133 Cb -0.14 -1.06 -0.11 0.00 0.02 0.00 0.00 46.19 44.89 3kof s LEU 133 CO 0.07 0.23 1.57 0.00 0.02 0.00 0.00 176.35 178.24 3kof s ALA 134 N -0.34 3.70 0.00 4.21 0.00 -1.26 -1.39 121.76 126.67 3kof s ALA 134 Ca 0.04 1.58 -0.04 0.00 0.00 0.00 0.00 51.96 53.55 3kof s ALA 134 Cb -0.09 -3.64 -0.17 0.00 0.00 0.00 0.00 23.12 19.22 3kof s ALA 134 CO 0.00 -1.02 2.85 0.43 0.00 0.00 0.00 175.76 178.03 3kof n SER 135 N 1.63 4.72 -4.82 0.00 7.64 -0.18 -4.17 113.62 118.43 3kof n SER 135 Ca 0.06 -2.34 -0.29 0.00 1.01 0.00 0.00 58.87 57.31 3kof n SER 135 Cb 0.38 -1.19 0.11 0.00 -1.01 0.00 0.00 64.21 62.50 3kof n SER 135 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3kof s THR 136 N 0.92 2.33 0.24 0.44 -4.23 -1.26 -4.84 115.64 109.23 3kof s THR 136 Ca 0.42 0.11 -0.05 0.00 -1.18 0.00 0.00 61.69 60.98 3kof s THR 136 Cb 0.20 -2.91 0.20 0.00 1.34 0.00 0.00 72.50 71.33 3kof s THR 136 CO 0.00 -0.14 1.81 -0.25 -0.54 0.00 0.00 174.62 175.50 3kof h TRP 137 N -1.28 0.82 -0.58 3.99 2.91 -1.89 -0.51 115.95 119.41 3kof h TRP 137 Ca -0.49 0.03 -0.06 0.00 1.13 0.00 0.00 58.89 59.50 3kof h TRP 137 Cb 1.31 -0.25 -0.02 0.00 -0.51 0.00 0.00 29.16 29.69 3kof h TRP 137 CO 0.35 0.35 0.11 1.96 -1.03 0.00 0.00 178.44 180.18 3kof h GLN 138 N 0.78 0.95 -0.89 2.65 7.50 -1.91 -1.28 115.11 122.90 3kof h GLN 138 Ca 0.37 -0.25 0.01 0.00 0.50 0.00 0.00 58.65 59.29 3kof h GLN 138 Cb 0.31 -0.11 -0.04 0.00 0.05 0.00 0.00 27.48 27.68 3kof h GLN 138 CO -0.23 0.89 0.59 0.78 -1.50 0.00 0.00 178.83 179.36 3kof h GLY 139 N 0.85 1.26 1.02 3.46 0.00 -1.47 0.33 103.07 108.52 3kof h GLY 139 Ca 0.18 -0.47 -0.11 0.00 0.00 0.00 0.00 47.33 46.92 3kof h GLY 139 CO 0.01 0.46 -0.20 -2.22 0.00 0.00 0.00 176.54 174.59 3kof h ILE 140 N 1.21 1.28 -0.69 2.60 2.04 -0.70 -0.87 117.51 122.37 3kof h ILE 140 Ca 0.33 -1.34 -0.07 0.00 1.00 0.00 0.00 64.86 64.78 3kof h ILE 140 Cb -0.13 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 3kof h ILE 140 CO -0.07 0.45 0.17 0.03 0.00 0.00 0.00 178.15 178.73 3kof h ARG 141 N 0.64 1.10 -0.51 2.37 2.47 -1.02 -0.86 114.38 118.56 3kof h ARG 141 Ca 0.09 -0.26 -0.02 0.00 -1.26 0.00 0.00 59.98 58.53 3kof h ARG 141 Cb 0.76 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.91 3kof h ARG 141 CO 0.06 0.97 0.26 0.00 0.56 0.00 0.00 179.97 181.82 3kof h ALA 142 N 1.13 0.66 -0.59 0.04 0.00 -0.65 -2.93 119.26 116.92 3kof h ALA 142 Ca 0.22 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3kof h ALA 142 Cb 0.36 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3kof h ALA 142 CO 0.00 0.21 0.14 0.00 0.00 0.00 0.00 179.25 179.61 3kof h ALA 143 N 1.09 0.78 -0.21 0.00 0.00 -0.85 -0.90 119.26 119.18 3kof h ALA 143 Ca 0.18 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3kof h ALA 143 Cb 0.10 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3kof h ALA 143 CO -0.02 0.49 -0.02 1.49 0.00 0.00 0.00 179.25 181.18 3kof h GLU 144 N 0.85 0.04 -0.01 0.00 4.81 -1.08 0.09 114.58 119.29 3kof h GLU 144 Ca 0.18 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 3kof h GLU 144 Cb 0.35 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 3kof h GLU 144 CO 0.00 0.03 -0.04 0.37 -0.73 0.00 0.00 179.01 178.64 3kof h GLN 145 N 0.04 -0.07 -0.70 1.92 5.75 -1.41 -2.43 115.11 118.21 3kof h GLN 145 Ca 0.10 0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.70 3kof h GLN 145 Cb 0.14 0.01 -0.07 0.00 1.07 0.00 0.00 27.48 28.63 3kof h GLN 145 CO -0.18 -0.04 0.33 -0.07 -2.65 0.00 0.00 178.83 176.21 3kof h LEU 146 N -0.07 0.41 -0.88 -2.39 3.38 -0.93 -1.89 115.31 112.94 3kof h LEU 146 Ca 0.02 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3kof h LEU 146 Cb 0.09 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3kof h LEU 146 CO -0.05 0.22 0.41 -0.33 0.09 0.00 0.00 178.44 178.78 3kof h GLU 147 N 0.55 1.21 -0.38 1.13 4.39 -0.73 -0.09 114.58 120.67 3kof h GLU 147 Ca 0.35 -0.18 0.03 0.00 0.34 0.00 0.00 59.36 59.91 3kof h GLU 147 Cb 0.41 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 3kof h GLU 147 CO -0.29 0.93 0.25 0.87 -1.16 0.00 0.00 179.01 179.61 3kof h LYS 148 N 1.20 0.37 -0.42 2.33 1.57 -0.86 -1.24 116.57 119.53 3kof h LYS 148 Ca 0.29 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3kof h LYS 148 Cb 0.12 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3kof h LYS 148 CO -0.04 0.25 0.00 0.39 -0.57 0.00 0.00 179.45 179.48 3kof n GLU 149 N -4.48 1.91 -1.37 3.15 1.02 -0.68 -4.91 120.64 115.26 3kof n GLU 149 Ca 0.04 -1.16 -0.02 0.00 -0.02 0.00 0.00 57.16 55.99 3kof n GLU 149 Cb 0.16 -1.36 -0.01 0.00 -0.02 0.00 0.00 31.44 30.22 3kof n GLU 149 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kof n GLY 150 N 0.85 0.46 3.26 0.62 0.00 -0.47 -5.04 105.19 104.87 3kof n GLY 150 Ca 0.11 -0.93 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 3kof n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kof s ILE 151 N -2.09 3.27 0.11 -0.61 1.01 -0.13 -4.92 121.20 117.84 3kof s ILE 151 Ca 0.00 -0.83 -0.22 0.00 0.00 0.00 0.00 60.65 59.59 3kof s ILE 151 Cb 0.00 -2.64 -0.07 0.00 0.01 0.00 0.00 42.46 39.76 3kof s ILE 151 CO 0.00 0.21 0.67 0.20 0.00 0.00 0.00 174.94 176.01 3kof s ASN 152 N 1.40 7.21 0.14 3.58 0.01 -1.26 -2.63 114.94 123.40 3kof s ASN 152 Ca 0.02 1.44 0.09 0.00 -0.71 0.00 0.00 52.86 53.70 3kof s ASN 152 Cb -0.16 -2.43 -0.04 0.00 0.41 0.00 0.00 41.25 39.03 3kof s ASN 152 CO -0.02 0.24 -0.20 0.00 -1.51 0.00 0.00 177.10 175.60 3kof s ASN 154 N -2.37 4.41 -0.39 0.00 3.84 0.03 -2.00 114.94 118.46 3kof s ASN 154 Ca 0.13 -1.13 -0.19 0.00 0.21 0.00 0.00 52.86 51.88 3kof s ASN 154 Cb -0.08 -1.62 0.01 0.00 -0.55 0.00 0.00 41.25 39.01 3kof s ASN 154 CO 0.06 -0.17 0.54 -0.76 -2.79 0.00 0.00 177.10 173.98 3kof s LEU 155 N 1.23 4.49 0.00 3.21 2.01 -0.39 -1.67 118.68 127.57 3kof s LEU 155 Ca -0.04 -0.25 0.02 0.00 0.01 0.00 0.00 54.13 53.88 3kof s LEU 155 Cb -0.18 -2.60 0.02 0.00 0.01 0.00 0.00 46.19 43.44 3kof s LEU 155 CO -0.04 -0.60 0.20 1.07 1.01 0.00 0.00 176.35 177.99 3kof n THR 156 N 5.57 0.00 -3.90 5.49 5.66 -0.49 -0.36 114.28 126.25 3kof n THR 156 Ca -0.04 -1.41 -0.26 0.00 -3.05 0.00 0.00 64.05 59.29 3kof n THR 156 Cb 0.48 -0.09 -0.00 0.00 -1.55 0.00 0.00 70.33 69.17 3kof n THR 156 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3kof n LEU 157 N 0.00 -2.46 -4.42 1.09 4.77 -1.26 -1.01 117.00 113.71 3kof n LEU 157 Ca -0.04 -0.94 -0.40 0.00 -0.03 0.00 0.00 56.01 54.60 3kof n LEU 157 Cb 0.40 -2.37 -0.11 0.00 -2.33 0.00 0.00 43.42 39.01 3kof n LEU 157 CO 0.23 0.42 -0.16 -0.22 -1.33 0.00 0.00 177.39 176.33 3kof s LEU 158 N -6.94 4.53 -0.02 2.23 0.20 -1.25 -4.47 118.68 112.97 3kof s LEU 158 Ca 0.12 -0.77 -0.00 0.00 0.69 0.00 0.00 54.13 54.17 3kof s LEU 158 Cb -0.06 -2.04 -0.01 0.00 -0.43 0.00 0.00 46.19 43.65 3kof s LEU 158 CO 0.87 -0.31 -0.02 0.49 -0.29 0.00 0.00 176.35 177.09 3kof n PHE 159 N 5.02 0.00 -3.35 5.38 3.72 -1.26 -1.90 117.46 125.07 3kof n PHE 159 Ca -0.12 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 56.99 3kof n PHE 159 Cb 0.47 -0.07 -0.03 0.00 -0.94 0.00 0.00 39.48 38.92 3kof n PHE 159 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3kof s SER 160 N -4.30 6.44 0.37 4.37 1.04 -1.26 -4.83 113.70 115.52 3kof s SER 160 Ca -0.02 0.69 0.05 0.00 0.48 0.00 0.00 55.95 57.15 3kof s SER 160 Cb 0.01 -2.13 0.71 0.00 0.10 0.00 0.00 66.02 64.70 3kof s SER 160 CO 0.04 -0.19 1.97 0.15 0.98 0.00 0.00 173.24 176.18 3kof h PHE 161 N 1.66 0.58 -0.66 5.02 3.57 -1.96 -2.23 116.94 122.91 3kof h PHE 161 Ca -0.48 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.06 3kof h PHE 161 Cb 1.19 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.69 3kof h PHE 161 CO 0.57 0.45 0.38 0.00 -2.23 0.00 0.00 178.31 177.48 3kof h ALA 162 N 1.61 0.88 -0.29 2.41 0.00 -1.92 0.83 119.26 122.78 3kof h ALA 162 Ca 0.15 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3kof h ALA 162 Cb 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3kof h ALA 162 CO -0.02 0.08 0.17 1.96 0.00 0.00 0.00 179.25 181.45 3kof h GLN 163 N 0.72 0.35 -0.02 0.00 4.20 -1.77 -1.76 115.11 116.83 3kof h GLN 163 Ca 0.29 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.98 3kof h GLN 163 Cb 0.13 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 3kof h GLN 163 CO -0.16 0.23 -0.01 0.00 -0.67 0.00 0.00 178.83 178.23 3kof h ALA 164 N 1.12 0.01 -0.44 3.87 0.00 -0.83 -1.68 119.26 121.31 3kof h ALA 164 Ca 0.11 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3kof h ALA 164 Cb -0.02 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3kof h ALA 164 CO -0.04 -0.50 0.20 -0.09 0.00 0.00 0.00 179.25 178.82 3kof h ARG 165 N -0.00 0.40 -0.60 0.00 2.43 -0.86 -2.08 114.38 113.68 3kof h ARG 165 Ca 0.01 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 3kof h ARG 165 Cb 0.01 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 3kof h ARG 165 CO -0.02 0.26 0.12 0.00 -1.51 0.00 0.00 179.97 178.82 3kof h ALA 166 N 1.25 1.09 -0.45 2.80 0.00 -1.13 -1.61 119.26 121.21 3kof h ALA 166 Ca 0.20 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3kof h ALA 166 Cb 0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3kof h ALA 166 CO -0.16 0.60 0.05 0.00 0.00 0.00 0.00 179.25 179.74 3kof h ALA 168 N 0.93 0.98 0.00 0.00 0.00 -1.20 -2.40 119.26 117.56 3kof h ALA 168 Ca 0.13 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3kof h ALA 168 Cb 0.42 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3kof h ALA 168 CO 0.01 0.67 0.00 0.93 0.00 0.00 0.00 179.25 180.86 3kof h GLU 169 N 1.10 0.00 0.00 0.00 5.08 -1.16 -2.34 114.58 117.26 3kof h GLU 169 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3kof h GLU 169 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3kof h GLU 169 CO -0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 179.01 177.76 3kof n ALA 170 N -2.01 2.82 -1.92 3.43 0.00 -0.41 -4.95 120.51 117.46 3kof n ALA 170 Ca 0.02 -0.20 -0.06 0.00 0.00 0.00 0.00 53.44 53.21 3kof n ALA 170 Cb 0.38 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.51 3kof n ALA 170 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kof n GLY 171 N 1.46 0.27 3.75 0.00 0.00 -0.88 -4.47 105.19 105.32 3kof n GLY 171 Ca 0.06 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 3kof n GLY 171 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kof s VAL 172 N -2.27 2.82 0.11 1.61 -7.23 -1.15 -4.93 120.40 109.36 3kof s VAL 172 Ca 0.00 0.43 -0.16 0.00 -1.81 0.00 0.00 61.98 60.43 3kof s VAL 172 Cb 0.00 -3.02 -0.05 0.00 0.56 0.00 0.00 36.38 33.87 3kof s VAL 172 CO 0.00 -0.19 1.54 0.15 -0.31 0.00 0.00 175.10 176.29 3kof h PHE 173 N 0.26 0.65 -3.19 2.82 3.04 -1.94 -3.38 116.94 115.20 3kof h PHE 173 Ca -0.48 -0.12 -0.13 0.00 3.98 0.00 0.00 57.97 61.22 3kof h PHE 173 Cb 1.27 -0.17 -0.21 0.00 2.56 0.00 0.00 35.95 39.41 3kof h PHE 173 CO 0.50 0.72 -0.35 -1.17 -2.02 0.00 0.00 178.31 175.99 3kof s LEU 174 N -9.42 1.08 0.08 0.59 0.20 -0.85 -0.97 118.68 109.39 3kof s LEU 174 Ca -0.13 0.03 0.09 0.00 0.69 0.00 0.00 54.13 54.81 3kof s LEU 174 Cb 0.09 1.05 -0.04 0.00 -0.43 0.00 0.00 46.19 46.86 3kof s LEU 174 CO 0.77 -0.39 -0.22 0.27 -0.29 0.00 0.00 176.35 176.49 3kof s ILE 175 N -1.23 2.54 -0.82 6.68 -4.36 -0.48 -1.26 121.20 122.27 3kof s ILE 175 Ca -0.13 -1.44 0.01 0.00 -0.26 0.00 0.00 60.65 58.84 3kof s ILE 175 Cb -0.06 -2.09 0.25 0.00 1.25 0.00 0.00 42.46 41.81 3kof s ILE 175 CO 0.03 0.23 0.90 -1.20 0.24 0.00 0.00 174.94 175.14 3kof n SER 176 N 1.27 4.43 -4.72 4.36 7.64 0.51 -1.36 113.62 125.75 3kof n SER 176 Ca -0.17 -3.33 -0.42 0.00 1.01 0.00 0.00 58.87 55.97 3kof n SER 176 Cb 0.52 -0.92 -0.03 0.00 -1.01 0.00 0.00 64.21 62.77 3kof n SER 176 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3kof s PRO 177 N -2.14 4.19 0.39 1.43 0.04 -1.22 -3.84 135.00 133.85 3kof s PRO 177 Ca 0.33 2.42 -0.13 0.00 0.04 0.00 0.00 61.00 63.66 3kof s PRO 177 Cb 0.05 -3.13 -0.08 0.00 0.04 0.00 0.00 34.50 31.38 3kof s PRO 177 CO -0.03 -0.63 0.79 0.71 0.04 0.00 0.00 177.00 177.88 3kof s TYR 178 N 1.04 3.42 0.07 0.56 1.51 -0.80 -1.86 117.35 121.29 3kof s TYR 178 Ca 0.70 1.18 -0.01 0.00 -1.01 0.00 0.00 57.07 57.93 3kof s TYR 178 Cb -0.45 -2.53 -0.00 0.00 -0.11 0.00 0.00 41.96 38.86 3kof s TYR 178 CO 0.33 -0.06 -0.03 0.28 -1.11 0.00 0.00 175.55 174.96 3kof n VAL 179 N -0.94 1.14 -0.24 0.71 0.31 -0.53 -4.75 118.33 114.02 3kof n VAL 179 Ca 0.03 0.35 -0.07 0.00 -0.01 0.00 0.00 64.34 64.65 3kof n VAL 179 Cb 0.54 -1.59 0.04 0.00 -0.91 0.00 0.00 33.84 31.91 3kof n VAL 179 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3kof h GLY 180 N -0.07 1.06 1.98 2.92 0.00 0.53 -1.79 103.07 107.70 3kof h GLY 180 Ca 0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 47.33 46.72 3kof h GLY 180 CO 0.00 0.54 -0.13 0.83 0.00 0.00 0.00 176.54 177.79 3kof h GLU 181 N 0.93 0.02 -0.15 4.80 5.08 -1.91 0.15 114.58 123.51 3kof h GLU 181 Ca 0.22 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 3kof h GLU 181 Cb 0.21 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3kof h GLU 181 CO -0.02 0.15 -0.17 0.82 -1.00 0.00 0.00 179.01 178.80 3kof h ILE 182 N 0.02 1.35 -0.79 3.13 2.04 -1.63 -2.04 117.51 119.59 3kof h ILE 182 Ca 0.00 -1.35 0.09 0.00 1.00 0.00 0.00 64.86 64.60 3kof h ILE 182 Cb 0.24 1.89 -0.07 0.00 -0.74 0.00 0.00 36.82 38.15 3kof h ILE 182 CO 0.02 0.40 0.45 0.25 0.00 0.00 0.00 178.15 179.26 3kof h LEU 183 N 0.00 0.64 -0.08 1.44 5.85 -0.95 -1.94 115.31 120.28 3kof h LEU 183 Ca 0.02 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.81 3kof h LEU 183 Cb 0.71 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 3kof h LEU 183 CO 0.04 0.38 -0.07 0.44 -0.34 0.00 0.00 178.44 178.89 3kof h ASP 184 N 0.77 -0.21 -0.82 1.25 3.32 -0.82 -2.17 116.42 117.74 3kof h ASP 184 Ca 0.38 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.52 3kof h ASP 184 Cb 0.32 0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.92 3kof h ASP 184 CO -0.23 -0.09 0.52 -0.25 -1.72 0.00 0.00 179.24 177.46 3kof h TRP 185 N -0.08 0.96 -0.55 4.55 7.01 -1.05 -1.33 115.95 125.47 3kof h TRP 185 Ca 0.06 0.03 -0.11 0.00 2.11 0.00 0.00 58.89 60.97 3kof h TRP 185 Cb 0.16 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 26.89 3kof h TRP 185 CO -0.17 0.52 -0.11 1.88 -2.79 0.00 0.00 178.44 177.77 3kof h TYR 186 N 0.97 1.16 -0.40 2.65 -1.99 -1.10 -1.27 116.97 116.99 3kof h TYR 186 Ca 0.35 -0.24 -0.05 0.00 2.00 0.00 0.00 58.73 60.78 3kof h TYR 186 Cb 0.10 -0.29 -0.02 0.00 2.00 0.00 0.00 36.73 38.52 3kof h TYR 186 CO -0.03 1.07 0.05 0.87 -0.00 0.00 0.00 178.16 180.11 3kof h LYS 187 N 0.92 0.68 -0.21 4.88 1.57 -1.13 -1.64 116.57 121.63 3kof h LYS 187 Ca 0.14 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 3kof h LYS 187 Cb 0.68 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 3kof h LYS 187 CO 0.05 0.73 -0.12 0.00 -0.57 0.00 0.00 179.45 179.54 3kof h ALA 188 N 0.91 1.40 -0.00 3.86 0.00 -1.20 -3.37 119.26 120.86 3kof h ALA 188 Ca 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3kof h ALA 188 Cb 0.40 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3kof h ALA 188 CO 0.01 0.41 0.00 0.09 0.00 0.00 0.00 179.25 179.76 3kof n ASN 189 N -4.25 1.28 -4.34 0.00 3.02 -0.49 -5.02 115.26 105.47 3kof n ASN 189 Ca -0.00 -1.26 -0.17 0.00 -0.03 0.00 0.00 54.58 53.11 3kof n ASN 189 Cb 0.29 -0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.35 3kof n ASN 189 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3kof s THR 190 N -0.27 0.72 0.34 3.41 -4.23 -0.63 -5.02 115.64 109.96 3kof s THR 190 Ca 0.00 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.60 3kof s THR 190 Cb 0.00 -2.62 0.10 0.00 1.34 0.00 0.00 72.50 71.32 3kof s THR 190 CO 0.00 -0.05 1.81 0.44 -0.54 0.00 0.00 174.62 176.28 3kof h ASP 191 N 2.35 0.23 -2.90 3.99 5.19 -1.89 -3.44 116.42 119.96 3kof h ASP 191 Ca -0.39 -0.07 -0.57 0.00 -0.62 0.00 0.00 57.03 55.38 3kof h ASP 191 Cb 1.24 -0.06 -0.04 0.00 0.18 0.00 0.00 39.33 40.65 3kof h ASP 191 CO 0.63 0.50 1.13 -0.75 -3.12 0.00 0.00 179.24 177.64 3kof s LYS 192 N -4.44 3.65 -0.01 3.56 2.20 -1.26 -4.86 119.74 118.59 3kof s LYS 192 Ca -0.05 1.40 0.22 0.00 -0.36 0.00 0.00 55.97 57.17 3kof s LYS 192 Cb 0.14 -4.05 -0.25 0.00 -1.51 0.00 0.00 37.83 32.16 3kof s LYS 192 CO 0.75 -1.47 0.70 0.36 -0.36 0.00 0.00 175.35 175.33 3kof n LYS 193 N 7.90 0.38 -4.81 4.03 2.85 -1.26 -4.24 118.16 123.00 3kof n LYS 193 Ca 0.19 -0.10 -0.25 0.00 -1.05 0.00 0.00 58.31 57.10 3kof n LYS 193 Cb 0.46 -1.53 -0.15 0.00 -0.65 0.00 0.00 35.03 33.17 3kof n LYS 193 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3kof s GLU 194 N -3.29 1.44 -0.03 -1.58 2.02 -1.26 -4.95 118.70 111.05 3kof s GLU 194 Ca -0.01 -0.72 -0.01 0.00 0.02 0.00 0.00 54.97 54.26 3kof s GLU 194 Cb 0.15 -1.42 0.03 0.00 0.10 0.00 0.00 34.13 32.98 3kof s GLU 194 CO 0.88 0.38 0.04 0.71 0.02 0.00 0.00 175.26 177.29 3kof s TYR 195 N -0.52 0.07 0.51 1.61 1.51 -1.26 -5.10 117.35 114.17 3kof s TYR 195 Ca 0.07 0.16 -0.22 0.00 -1.01 0.00 0.00 57.07 56.07 3kof s TYR 195 Cb -0.07 -0.33 -0.06 0.00 -0.11 0.00 0.00 41.96 41.39 3kof s TYR 195 CO -0.00 -0.13 1.25 0.00 -1.11 0.00 0.00 175.55 175.56 3kof s ALA 196 N 1.42 2.85 0.25 3.71 0.00 -1.26 -4.74 121.76 123.98 3kof s ALA 196 Ca -0.05 1.10 -0.04 0.00 0.00 0.00 0.00 51.96 52.97 3kof s ALA 196 Cb -0.13 -3.46 0.48 0.00 0.00 0.00 0.00 23.12 20.01 3kof s ALA 196 CO -0.03 -1.00 1.68 -1.35 0.00 0.00 0.00 175.76 175.06 3kof h PRO 197 N 1.66 0.27 0.00 0.00 0.11 -1.97 0.48 132.00 132.54 3kof h PRO 197 Ca -0.50 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 3kof h PRO 197 Cb 1.27 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3kof h PRO 197 CO 0.58 0.18 -0.02 0.00 -0.21 0.00 0.00 178.00 178.53 3kof h ALA 198 N 1.62 1.13 -0.00 -0.75 0.00 -1.92 -2.73 119.26 116.60 3kof h ALA 198 Ca 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3kof h ALA 198 Cb 0.74 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3kof h ALA 198 CO -0.52 0.03 -0.61 -0.85 0.00 0.00 0.00 179.25 177.30 3kof n GLU 199 N -3.29 1.91 -1.67 0.00 0.28 0.15 -4.70 120.64 113.32 3kof n GLU 199 Ca -0.02 -0.23 -0.56 0.00 -0.16 0.00 0.00 57.16 56.19 3kof n GLU 199 Cb 0.14 -1.23 -0.07 0.00 1.43 0.00 0.00 31.44 31.71 3kof n GLU 199 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 3kof n ASP 200 N -1.01 2.03 0.26 -1.84 -0.08 -0.15 -4.84 116.55 110.92 3kof n ASP 200 Ca 0.04 1.10 0.14 0.00 -1.51 0.00 0.00 54.79 54.56 3kof n ASP 200 Cb 0.26 -1.13 0.64 0.00 2.34 0.00 0.00 41.12 43.23 3kof n ASP 200 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3kof h PRO 201 N 6.18 0.00 -0.29 -0.67 0.13 -1.91 -1.43 132.00 134.02 3kof h PRO 201 Ca -0.47 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.58 3kof h PRO 201 Cb 1.33 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 3kof h PRO 201 CO 0.90 0.11 -0.13 0.78 -0.23 0.00 0.00 178.00 179.43 3kof h GLY 202 N 1.70 0.64 1.01 1.56 0.00 -1.87 -1.49 103.07 104.63 3kof h GLY 202 Ca -0.00 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.76 3kof h GLY 202 CO 0.01 0.52 0.53 -2.08 0.00 0.00 0.00 176.54 175.52 3kof h VAL 203 N 0.34 1.23 -0.38 4.60 2.07 -1.70 -1.95 116.25 120.46 3kof h VAL 203 Ca 0.07 -0.50 -0.07 0.00 0.82 0.00 0.00 66.70 67.02 3kof h VAL 203 Cb 0.64 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3kof h VAL 203 CO 0.04 0.24 -0.02 0.58 0.02 0.00 0.00 177.57 178.43 3kof h VAL 204 N 1.17 1.26 0.26 2.57 2.07 -1.24 -1.34 116.25 121.01 3kof h VAL 204 Ca 0.31 -1.04 0.01 0.00 0.82 0.00 0.00 66.70 66.80 3kof h VAL 204 Cb -0.06 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3kof h VAL 204 CO -0.06 0.35 -0.35 -1.28 0.02 0.00 0.00 177.57 176.24 3kof h SER 205 N 0.50 -0.99 -0.71 0.57 0.87 -1.03 -0.61 113.55 112.16 3kof h SER 205 Ca 0.10 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 3kof h SER 205 Cb 0.50 0.35 -0.03 0.00 -0.44 0.00 0.00 62.40 62.77 3kof h SER 205 CO 0.02 -0.47 0.46 0.58 -0.53 0.00 0.00 176.83 176.89 3kof h VAL 206 N -0.68 1.19 -0.62 2.23 2.07 -1.33 -0.61 116.25 118.50 3kof h VAL 206 Ca -0.00 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 3kof h VAL 206 Cb 0.64 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3kof h VAL 206 CO -0.12 0.19 0.31 0.28 0.02 0.00 0.00 177.57 178.25 3kof h SER 207 N 0.96 0.77 0.27 0.57 0.02 -1.07 0.13 113.55 115.20 3kof h SER 207 Ca 0.26 -0.07 -0.20 0.00 -0.84 0.00 0.00 61.79 60.94 3kof h SER 207 Cb -0.09 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.25 3kof h SER 207 CO -0.05 0.64 -0.79 -0.33 -1.14 0.00 0.00 176.83 175.16 3kof h GLU 208 N 0.87 0.42 -0.23 3.45 5.08 -0.55 -2.45 114.58 121.16 3kof h GLU 208 Ca 0.22 -0.37 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 3kof h GLU 208 Cb 0.06 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3kof h GLU 208 CO -0.03 1.01 -0.10 0.82 -1.00 0.00 0.00 179.01 179.71 3kof h ILE 209 N 0.27 1.30 -0.23 3.13 2.04 -0.51 -1.84 117.51 121.66 3kof h ILE 209 Ca -0.04 -1.17 0.05 0.00 1.00 0.00 0.00 64.86 64.70 3kof h ILE 209 Cb 1.38 1.58 -0.05 0.00 -0.74 0.00 0.00 36.82 39.00 3kof h ILE 209 CO 0.14 0.36 -0.07 0.22 0.00 0.00 0.00 178.15 178.80 3kof h TYR 210 N 0.19 -0.15 -0.39 1.37 3.20 -0.77 0.41 116.97 120.83 3kof h TYR 210 Ca 0.05 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.96 3kof h TYR 210 Cb 0.60 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 3kof h TYR 210 CO 0.06 -0.11 0.24 1.96 -1.64 0.00 0.00 178.16 178.66 3kof h GLN 211 N -0.01 0.47 -0.71 1.82 1.08 -1.41 -0.43 115.11 115.90 3kof h GLN 211 Ca 0.12 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.26 3kof h GLN 211 Cb 0.19 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.48 3kof h GLN 211 CO -0.25 0.31 0.33 -0.92 -0.95 0.00 0.00 178.83 177.35 3kof h TYR 212 N 0.48 1.02 -0.07 2.96 3.20 -0.86 -1.07 116.97 122.63 3kof h TYR 212 Ca 0.15 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 3kof h TYR 212 Cb -0.01 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 37.94 3kof h TYR 212 CO -0.07 0.75 -0.01 1.88 -1.64 0.00 0.00 178.16 179.07 3kof h TYR 213 N 1.02 0.15 -0.31 -3.82 -1.99 -0.40 -2.93 116.97 108.69 3kof h TYR 213 Ca 0.25 -0.03 -0.17 0.00 2.00 0.00 0.00 58.73 60.78 3kof h TYR 213 Cb 0.12 -0.04 -0.00 0.00 2.00 0.00 0.00 36.73 38.81 3kof h TYR 213 CO 0.01 0.45 -0.48 0.87 -0.00 0.00 0.00 178.16 179.01 3kof h LYS 214 N -0.19 0.83 0.00 4.88 1.79 -1.06 -1.53 116.57 121.29 3kof h LYS 214 Ca 0.02 -0.49 -0.01 0.00 -2.18 0.00 0.00 60.65 57.99 3kof h LYS 214 Cb 0.40 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.09 3kof h LYS 214 CO 0.01 1.12 -0.04 1.49 -1.08 0.00 0.00 179.45 180.95 3kof h GLU 215 N 0.66 0.00 -0.34 3.15 4.81 -1.23 -2.44 114.58 119.18 3kof h GLU 215 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3kof h GLU 215 Cb 1.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3kof h GLU 215 CO 0.11 0.04 0.00 0.72 -0.73 0.00 0.00 179.01 179.15 3kof n HIS 216 N -3.91 0.45 -1.15 0.92 8.25 -1.11 0.72 115.22 119.39 3kof n HIS 216 Ca -0.03 -0.46 -0.05 0.00 -0.26 0.00 0.00 57.72 56.92 3kof n HIS 216 Cb 0.13 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.19 3kof n HIS 216 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kof n GLY 217 N 0.58 0.77 3.77 -1.41 0.00 -0.92 -4.76 105.19 103.21 3kof n GLY 217 Ca 0.12 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 3kof n GLY 217 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kof s TYR 218 N -2.11 3.02 -2.45 1.61 2.02 -0.61 -4.93 117.35 113.90 3kof s TYR 218 Ca 0.00 1.46 0.24 0.00 -0.37 0.00 0.00 57.07 58.40 3kof s TYR 218 Cb 0.00 -3.60 0.33 0.00 -0.40 0.00 0.00 41.96 38.29 3kof s TYR 218 CO 0.00 -1.75 1.32 0.39 -1.57 0.00 0.00 175.55 173.94 3kof n GLU 219 N 0.50 1.67 -1.70 -0.62 1.02 -1.26 -4.72 120.64 115.53 3kof n GLU 219 Ca 0.02 -1.29 -0.43 0.00 -0.02 0.00 0.00 57.16 55.43 3kof n GLU 219 Cb 0.43 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.35 3kof n GLU 219 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3kof n THR 220 N 0.47 0.16 -2.27 2.62 -1.04 -1.26 -4.94 114.28 108.02 3kof n THR 220 Ca 0.13 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.05 61.70 3kof n THR 220 Cb 0.49 -1.93 -0.03 0.00 -1.82 0.00 0.00 70.33 67.03 3kof n THR 220 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3kof s VAL 221 N 1.80 3.42 -0.33 12.58 1.01 -0.14 -4.87 120.40 133.86 3kof s VAL 221 Ca 0.79 1.12 -0.15 0.00 0.00 0.00 0.00 61.98 63.74 3kof s VAL 221 Cb -0.54 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 3kof s VAL 221 CO 0.36 0.14 0.36 -0.69 0.00 0.00 0.00 175.10 175.27 3kof s VAL 222 N 0.40 5.17 -0.32 2.92 1.01 -1.26 -1.38 120.40 126.93 3kof s VAL 222 Ca 0.58 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.73 3kof s VAL 222 Cb -0.35 -3.79 0.10 0.00 0.00 0.00 0.00 36.38 32.34 3kof s VAL 222 CO 0.35 -0.04 0.05 -0.32 0.00 0.00 0.00 175.10 175.15 3kof s MET 223 N 2.03 1.29 0.35 2.72 1.75 -0.47 -2.21 119.30 124.75 3kof s MET 223 Ca 0.12 -1.56 -0.29 0.00 -1.25 0.00 0.00 55.69 52.71 3kof s MET 223 Cb -0.16 -2.79 -0.11 0.00 2.84 0.00 0.00 34.83 34.60 3kof s MET 223 CO 0.11 -0.92 1.49 0.41 -0.65 0.00 0.00 175.02 175.47 3kof n GLY 224 N 4.46 1.16 3.05 2.11 0.00 -1.01 -3.42 105.19 111.53 3kof n GLY 224 Ca 0.01 0.36 -0.10 0.00 0.00 0.00 0.00 46.02 46.28 3kof n GLY 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kof s ALA 225 N -0.80 0.41 0.00 4.61 0.00 -0.78 -1.21 121.76 124.00 3kof s ALA 225 Ca 0.57 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.67 3kof s ALA 225 Cb -0.50 0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.78 3kof s ALA 225 CO 0.59 -0.18 0.00 0.45 0.00 0.00 0.00 175.76 176.62 3kof n SER 226 N 1.05 -1.99 -4.85 0.00 2.88 -1.26 -1.46 113.62 107.98 3kof n SER 226 Ca -0.20 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.04 3kof n SER 226 Cb 0.57 -1.00 -0.05 0.00 -0.75 0.00 0.00 64.21 62.98 3kof n SER 226 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 3kof s PHE 227 N -2.44 3.36 -0.16 0.66 0.08 -1.26 0.11 117.98 118.32 3kof s PHE 227 Ca 0.00 0.16 0.19 0.00 0.12 0.00 0.00 56.93 57.39 3kof s PHE 227 Cb 0.00 -1.68 -0.27 0.00 -0.57 0.00 0.00 43.02 40.50 3kof s PHE 227 CO 0.00 0.55 0.17 0.54 -0.10 0.00 0.00 175.22 176.38 3kof n ARG 228 N 0.28 0.68 -3.86 0.44 5.12 -1.26 -4.87 116.66 113.20 3kof n ARG 228 Ca -0.07 -0.04 -0.08 0.00 -1.93 0.00 0.00 57.85 55.74 3kof n ARG 228 Cb 0.52 -1.53 -0.03 0.00 -1.16 0.00 0.00 32.46 30.26 3kof n ARG 228 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3kof s ASN 229 N -5.32 -0.24 0.38 0.55 2.20 -1.26 -5.05 114.94 106.20 3kof s ASN 229 Ca -0.09 -0.64 0.21 0.00 -0.94 0.00 0.00 52.86 51.40 3kof s ASN 229 Cb 0.08 0.69 0.25 0.00 -2.00 0.00 0.00 41.25 40.27 3kof s ASN 229 CO 0.84 -1.29 1.51 0.16 -2.94 0.00 0.00 177.10 175.39 3kof h ILE 230 N 2.05 0.18 -0.96 0.54 3.07 -1.97 -3.02 117.51 117.40 3kof h ILE 230 Ca -0.21 -1.26 0.07 0.00 1.55 0.00 0.00 64.86 65.01 3kof h ILE 230 Cb 1.25 2.04 -0.07 0.00 -0.27 0.00 0.00 36.82 39.78 3kof h ILE 230 CO 0.26 0.10 0.62 1.23 -1.05 0.00 0.00 178.15 179.31 3kof h GLY 231 N 3.90 1.43 0.95 0.16 0.00 -1.99 -1.51 103.07 106.00 3kof h GLY 231 Ca -0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 3kof h GLY 231 CO 0.01 0.29 0.16 0.83 0.00 0.00 0.00 176.54 177.84 3kof h GLU 232 N 1.07 0.61 -0.15 4.80 5.08 -1.88 -2.25 114.58 121.86 3kof h GLU 232 Ca 0.42 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 3kof h GLU 232 Cb 0.24 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3kof h GLU 232 CO -0.17 0.57 0.06 0.82 -1.00 0.00 0.00 179.01 179.29 3kof h ILE 233 N 0.51 1.15 -0.01 3.13 2.04 -1.53 -2.88 117.51 119.92 3kof h ILE 233 Ca 0.14 -0.45 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 3kof h ILE 233 Cb 0.19 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 3kof h ILE 233 CO -0.01 0.14 -0.19 -0.07 0.00 0.00 0.00 178.15 178.01 3kof h LEU 234 N 0.08 0.02 -1.67 1.44 3.38 -1.29 -0.88 115.31 116.39 3kof h LEU 234 Ca 0.05 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3kof h LEU 234 Cb 0.17 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3kof h LEU 234 CO -0.00 0.21 0.00 -0.08 0.09 0.00 0.00 178.44 178.66 3kof h GLU 235 N 0.02 0.00 -0.37 1.13 4.57 -1.19 -2.96 114.58 115.77 3kof h GLU 235 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3kof h GLU 235 Cb 0.35 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 3kof h GLU 235 CO 0.03 0.00 0.00 1.28 -1.18 0.00 0.00 179.01 179.14 3kof n LEU 236 N -3.05 3.41 -4.67 1.64 4.77 -0.37 -4.64 117.00 114.09 3kof n LEU 236 Ca 0.00 -2.31 -0.51 0.00 -0.03 0.00 0.00 56.01 53.16 3kof n LEU 236 Cb 0.26 -0.36 -0.05 0.00 -2.33 0.00 0.00 43.42 40.94 3kof n LEU 236 CO 0.26 0.74 1.28 0.00 -1.33 0.00 0.00 177.39 178.33 3kof n ALA 237 N 0.36 0.40 0.00 -1.18 0.00 -1.00 -0.85 120.51 118.24 3kof n ALA 237 Ca 0.16 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3kof n ALA 237 Cb 0.60 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.73 3kof n ALA 237 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kof n GLY 238 N 3.80 2.38 3.69 0.00 0.00 -1.26 -0.60 105.19 113.20 3kof n GLY 238 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 3kof n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kof h ASP 240 N 2.92 -1.04 -4.96 0.00 3.32 -1.85 -3.39 116.42 111.41 3kof h ASP 240 Ca -0.45 0.23 -0.18 0.00 0.02 0.00 0.00 57.03 56.65 3kof h ASP 240 Cb 1.28 0.56 -0.17 0.00 0.22 0.00 0.00 39.33 41.22 3kof h ASP 240 CO 0.66 -0.28 -0.69 -0.13 -1.72 0.00 0.00 179.24 177.07 3kof s ARG 241 N -6.07 0.61 -0.04 3.56 0.52 -0.94 -1.51 118.95 115.08 3kof s ARG 241 Ca -0.14 -1.09 -0.01 0.00 -0.52 0.00 0.00 55.73 53.97 3kof s ARG 241 Cb 0.18 0.02 0.03 0.00 0.52 0.00 0.00 34.95 35.69 3kof s ARG 241 CO 0.71 -0.05 0.03 -0.51 0.02 0.00 0.00 175.30 175.49 3kof s LEU 242 N -2.54 0.70 -0.15 2.53 1.43 -0.72 -2.41 118.68 117.51 3kof s LEU 242 Ca 0.02 0.01 -0.14 0.00 -1.03 0.00 0.00 54.13 52.99 3kof s LEU 242 Cb 0.02 -0.21 -0.05 0.00 0.03 0.00 0.00 46.19 45.99 3kof s LEU 242 CO -0.06 -0.17 0.31 0.28 0.23 0.00 0.00 176.35 176.94 3kof s THR 243 N 1.59 5.30 -0.03 5.49 -1.32 -0.35 -1.08 115.64 125.24 3kof s THR 243 Ca -0.02 0.58 0.00 0.00 -1.21 0.00 0.00 61.69 61.04 3kof s THR 243 Cb -0.13 -3.64 0.02 0.00 -1.51 0.00 0.00 72.50 67.24 3kof s THR 243 CO -0.03 0.39 -0.00 -0.63 -2.21 0.00 0.00 174.62 172.14 3kof s ILE 244 N 0.44 0.19 0.50 5.08 1.01 0.07 -4.15 121.20 124.34 3kof s ILE 244 Ca 0.17 0.06 -0.22 0.00 0.00 0.00 0.00 60.65 60.67 3kof s ILE 244 Cb -0.13 -0.27 -0.06 0.00 0.01 0.00 0.00 42.46 42.00 3kof s ILE 244 CO 0.04 0.14 1.20 0.00 0.00 0.00 0.00 174.94 176.32 3kof s ALA 245 N 0.93 2.87 0.28 9.38 0.00 -1.26 -0.90 121.76 133.06 3kof s ALA 245 Ca -0.10 1.00 0.02 0.00 0.00 0.00 0.00 51.96 52.88 3kof s ALA 245 Cb -0.13 -3.42 0.67 0.00 0.00 0.00 0.00 23.12 20.24 3kof s ALA 245 CO -0.02 -0.84 1.70 -1.35 0.00 0.00 0.00 175.76 175.25 3kof h PRO 246 N 1.73 0.38 -0.87 0.00 0.11 -1.98 -0.13 132.00 131.24 3kof h PRO 246 Ca -0.50 -0.02 0.21 0.00 0.11 0.00 0.00 66.00 65.80 3kof h PRO 246 Cb 1.26 -0.09 -0.12 0.00 0.11 0.00 0.00 31.00 32.16 3kof h PRO 246 CO 0.59 0.25 0.33 1.15 -0.21 0.00 0.00 178.00 180.12 3kof h THR 247 N 0.40 0.46 0.00 -1.15 2.02 -1.97 0.21 112.91 112.89 3kof h THR 247 Ca 0.53 -0.12 -0.24 0.00 0.77 0.00 0.00 66.41 67.34 3kof h THR 247 Cb 0.97 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 3kof h THR 247 CO -0.51 0.06 -1.37 -0.07 0.37 0.00 0.00 175.52 174.00 3kof h LEU 248 N 0.35 0.00 -0.58 2.58 3.38 -1.42 -2.86 115.31 116.77 3kof h LEU 248 Ca 0.53 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.54 3kof h LEU 248 Cb 1.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 3kof h LEU 248 CO -0.54 0.95 0.33 -0.07 0.09 0.00 0.00 178.44 179.20 3kof h LEU 249 N 0.00 0.51 -0.27 1.67 3.38 -0.82 -0.34 115.31 119.44 3kof h LEU 249 Ca -0.16 0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.87 3kof h LEU 249 Cb 1.87 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 42.48 3kof h LEU 249 CO 0.10 0.35 -0.02 0.50 0.09 0.00 0.00 178.44 179.46 3kof h LYS 250 N 0.64 0.06 -0.76 1.13 3.64 -0.97 0.18 116.57 120.48 3kof h LYS 250 Ca 0.25 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.63 3kof h LYS 250 Cb 0.09 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 3kof h LYS 250 CO -0.13 0.04 0.50 0.93 -2.27 0.00 0.00 179.45 178.52 3kof h GLU 251 N 0.06 1.00 -0.16 1.90 5.08 -1.25 0.11 114.58 121.32 3kof h GLU 251 Ca 0.13 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3kof h GLU 251 Cb 0.17 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3kof h GLU 251 CO -0.23 0.67 0.07 -0.07 -1.00 0.00 0.00 179.01 178.45 3kof h LEU 252 N 1.03 0.22 -1.59 1.33 3.38 -0.53 -1.60 115.31 117.55 3kof h LEU 252 Ca 0.28 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3kof h LEU 252 Cb -0.11 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3kof h LEU 252 CO -0.06 0.31 0.08 0.00 0.09 0.00 0.00 178.44 178.86 3kof h ALA 253 N 0.92 1.68 -0.00 1.53 0.00 -0.27 -2.15 119.26 120.96 3kof h ALA 253 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kof h ALA 253 Cb 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3kof h ALA 253 CO -0.01 0.26 -0.24 0.39 0.00 0.00 0.00 179.25 179.65 3kof n GLU 254 N -4.42 0.60 -3.52 0.00 1.02 0.34 -4.72 120.64 109.95 3kof n GLU 254 Ca 0.01 -0.30 -0.37 0.00 -0.02 0.00 0.00 57.16 56.48 3kof n GLU 254 Cb 0.14 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.00 3kof n GLU 254 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3kof s SER 255 N -2.61 6.47 0.16 1.62 0.15 -0.62 -5.01 113.70 113.87 3kof s SER 255 Ca 0.23 0.55 -0.11 0.00 0.70 0.00 0.00 55.95 57.32 3kof s SER 255 Cb 0.19 -2.19 -0.07 0.00 -1.71 0.00 0.00 66.02 62.24 3kof s SER 255 CO 0.54 0.10 0.51 -1.61 1.20 0.00 0.00 173.24 173.98 3kof s GLU 256 N 0.42 3.85 0.00 5.44 0.41 -1.26 -0.53 118.70 127.03 3kof s GLU 256 Ca 0.18 0.32 0.00 0.00 -0.41 0.00 0.00 54.97 55.05 3kof s GLU 256 Cb -0.13 -2.83 0.00 0.00 -1.78 0.00 0.00 34.13 29.38 3kof s GLU 256 CO 0.05 0.43 0.00 0.41 -0.49 0.00 0.00 175.26 175.66 3kof n GLY 257 N 0.43 3.60 3.81 -1.39 0.00 -1.20 -4.83 105.19 105.61 3kof n GLY 257 Ca -0.03 -1.49 -0.34 0.00 0.00 0.00 0.00 46.02 44.16 3kof n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kof s ALA 258 N -0.80 3.04 0.24 4.61 0.00 -1.26 -3.71 121.76 123.87 3kof s ALA 258 Ca 0.00 0.46 0.10 0.00 0.00 0.00 0.00 51.96 52.52 3kof s ALA 258 Cb 0.00 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 3kof s ALA 258 CO 0.00 0.05 -0.06 0.96 0.00 0.00 0.00 175.76 176.71 3kof s ILE 259 N -2.04 3.25 0.15 0.00 -4.36 -1.26 -5.08 121.20 111.86 3kof s ILE 259 Ca 0.61 -1.87 -0.02 0.00 -0.26 0.00 0.00 60.65 59.11 3kof s ILE 259 Cb -0.12 -2.69 -0.05 0.00 1.25 0.00 0.00 42.46 40.85 3kof s ILE 259 CO 0.16 -0.28 0.35 -1.83 0.24 0.00 0.00 174.94 173.58 3kof s GLU 260 N -3.34 3.54 0.03 0.37 -1.05 -1.26 -4.92 118.70 112.07 3kof s GLU 260 Ca 0.29 -0.26 -0.30 0.00 -0.15 0.00 0.00 54.97 54.54 3kof s GLU 260 Cb -0.07 -2.88 -0.06 0.00 -0.44 0.00 0.00 34.13 30.68 3kof s GLU 260 CO 0.18 0.47 1.41 0.50 0.95 0.00 0.00 175.26 178.77 3kof s ARG 261 N -2.90 4.29 -0.10 -4.83 3.52 -1.26 -4.81 118.95 112.86 3kof s ARG 261 Ca 0.39 2.01 0.18 0.00 -0.13 0.00 0.00 55.73 58.18 3kof s ARG 261 Cb -0.12 -3.51 -0.27 0.00 -1.56 0.00 0.00 34.95 29.48 3kof s ARG 261 CO 0.27 -0.56 0.27 1.63 -0.81 0.00 0.00 175.30 176.11 3kof n LYS 262 N 5.10 0.77 -4.02 5.12 4.76 0.23 -4.94 118.16 125.19 3kof n LYS 262 Ca 0.13 -0.11 -0.34 0.00 -2.87 0.00 0.00 58.31 55.13 3kof n LYS 262 Cb 0.43 -1.47 -0.15 0.00 -1.84 0.00 0.00 35.03 32.00 3kof n LYS 262 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3kof s LEU 263 N -4.82 3.10 0.07 -0.35 2.96 -0.56 -5.00 118.68 114.08 3kof s LEU 263 Ca -0.08 -1.00 -0.11 0.00 -0.22 0.00 0.00 54.13 52.72 3kof s LEU 263 Cb 0.10 -1.60 0.01 0.00 0.50 0.00 0.00 46.19 45.19 3kof s LEU 263 CO 0.80 -0.13 0.25 -0.44 -1.32 0.00 0.00 176.35 175.51 3kof s SER 264 N 1.25 -0.00 -0.17 3.68 0.01 -1.26 -4.43 113.70 112.78 3kof s SER 264 Ca -0.02 -0.44 -0.02 0.00 1.31 0.00 0.00 55.95 56.78 3kof s SER 264 Cb -0.17 0.35 0.05 0.00 0.21 0.00 0.00 66.02 66.46 3kof s SER 264 CO -0.06 -0.69 0.00 -0.47 0.41 0.00 0.00 173.24 172.44 3kof s TYR 265 N -3.30 1.20 -0.20 2.43 5.04 -1.26 -4.97 117.35 116.29 3kof s TYR 265 Ca 0.00 -0.84 0.00 0.00 -2.44 0.00 0.00 57.07 53.80 3kof s TYR 265 Cb 0.02 -1.09 0.02 0.00 0.35 0.00 0.00 41.96 41.27 3kof s TYR 265 CO -0.08 -0.57 -0.15 0.95 -1.34 0.00 0.00 175.55 174.36 3kof s THR 266 N 1.80 2.35 0.00 4.34 -4.23 -1.26 -5.03 115.64 113.61 3kof s THR 266 Ca 0.00 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.54 3kof s THR 266 Cb -0.16 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.61 3kof s THR 266 CO -0.07 0.42 0.00 0.61 -0.54 0.00 0.00 174.62 175.03 3kof n GLY 267 N 4.63 -0.96 3.67 3.99 0.00 -1.26 -5.16 105.19 110.10 3kof n GLY 267 Ca -0.19 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.21 3kof n GLY 267 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kof s GLU 268 N -2.00 2.77 -0.08 1.61 2.12 -1.26 -5.06 118.70 116.81 3kof s GLU 268 Ca 0.00 -0.61 -0.30 0.00 0.36 0.00 0.00 54.97 54.42 3kof s GLU 268 Cb 0.00 -2.66 -0.05 0.00 0.26 0.00 0.00 34.13 31.68 3kof s GLU 268 CO 0.00 0.63 1.63 0.08 -0.54 0.00 0.00 175.26 177.05 3kof s VAL 269 N -1.06 3.64 0.42 3.70 1.01 -1.26 -4.82 120.40 122.02 3kof s VAL 269 Ca 0.19 0.77 -0.02 0.00 0.00 0.00 0.00 61.98 62.92 3kof s VAL 269 Cb -0.11 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 3kof s VAL 269 CO 0.09 -0.08 0.67 -0.54 0.00 0.00 0.00 175.10 175.23 3kof s LYS 270 N 4.06 3.44 0.34 2.72 -0.14 0.22 -4.97 119.74 125.42 3kof s LYS 270 Ca 0.72 -0.13 -0.28 0.00 -1.36 0.00 0.00 55.97 54.92 3kof s LYS 270 Cb -0.32 -2.53 -0.10 0.00 -1.68 0.00 0.00 37.83 33.21 3kof s LYS 270 CO 0.28 -0.06 1.30 0.00 -0.76 0.00 0.00 175.35 176.11 3kof s ALA 271 N -2.53 3.46 0.38 5.17 0.00 -1.26 -4.53 121.76 122.44 3kof s ALA 271 Ca 0.44 1.24 -0.17 0.00 0.00 0.00 0.00 51.96 53.47 3kof s ALA 271 Cb -0.10 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.46 3kof s ALA 271 CO 0.40 -0.65 0.83 1.03 0.00 0.00 0.00 175.76 177.37 3kof s ARG 272 N -1.85 4.05 1.01 0.00 0.52 -1.26 -5.01 118.95 116.41 3kof s ARG 272 Ca 0.50 0.82 -0.15 0.00 -0.52 0.00 0.00 55.73 56.38 3kof s ARG 272 Cb -0.39 -2.32 0.20 0.00 0.52 0.00 0.00 34.95 32.96 3kof s ARG 272 CO 0.52 0.04 1.15 -1.25 0.02 0.00 0.00 175.30 175.78 3kof s PRO 273 N -3.22 0.31 0.68 3.54 0.04 -1.26 -5.02 135.00 130.06 3kof s PRO 273 Ca 0.57 0.13 -0.17 0.00 0.04 0.00 0.00 61.00 61.57 3kof s PRO 273 Cb -0.10 -1.76 -0.00 0.00 0.04 0.00 0.00 34.50 32.68 3kof s PRO 273 CO 0.18 -2.73 1.09 0.00 0.04 0.00 0.00 177.00 175.58 3kof n ALA 274 N -4.10 0.30 -1.66 8.56 0.00 -1.26 -4.97 120.51 117.38 3kof n ALA 274 Ca 0.09 -0.10 -0.35 0.00 0.00 0.00 0.00 53.44 53.08 3kof n ALA 274 Cb 0.59 -2.19 0.03 0.00 0.00 0.00 0.00 19.45 17.88 3kof n ALA 274 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3kof s ARG 275 N -3.30 2.95 0.02 0.00 0.52 -1.26 -4.97 118.95 112.91 3kof s ARG 275 Ca 0.77 1.67 -0.30 0.00 -0.52 0.00 0.00 55.73 57.35 3kof s ARG 275 Cb -0.37 -1.94 -0.04 0.00 0.52 0.00 0.00 34.95 33.12 3kof s ARG 275 CO 0.46 -1.19 1.04 -1.50 0.02 0.00 0.00 175.30 174.14 3kof s ILE 276 N -1.84 4.63 0.66 1.52 2.07 -1.26 -5.02 121.20 121.96 3kof s ILE 276 Ca 0.74 1.90 -0.11 0.00 -1.41 0.00 0.00 60.65 61.76 3kof s ILE 276 Cb -0.26 -4.22 -0.01 0.00 0.13 0.00 0.00 42.46 38.10 3kof s ILE 276 CO 0.34 0.15 1.06 0.42 -1.91 0.00 0.00 174.94 175.00 3kof s THR 277 N 0.98 4.19 0.23 4.00 -4.23 -1.26 -4.85 115.64 114.70 3kof s THR 277 Ca 0.54 0.71 -0.07 0.00 -1.18 0.00 0.00 61.69 61.69 3kof s THR 277 Cb -0.23 -3.65 0.18 0.00 1.34 0.00 0.00 72.50 70.14 3kof s THR 277 CO 0.28 -0.93 1.78 -0.08 -0.54 0.00 0.00 174.62 175.13 3kof h GLU 278 N -0.52 0.59 -0.33 3.99 4.81 -1.98 0.61 114.58 121.76 3kof h GLU 278 Ca -0.44 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 3kof h GLU 278 Cb 1.21 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 3kof h GLU 278 CO 0.61 0.39 0.16 0.77 -0.73 0.00 0.00 179.01 180.22 3kof h SER 279 N 0.61 0.42 -0.61 1.04 0.02 -1.99 0.49 113.55 113.52 3kof h SER 279 Ca 0.35 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 61.13 3kof h SER 279 Cb 0.38 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 3kof h SER 279 CO -0.27 0.42 0.17 -0.33 -1.14 0.00 0.00 176.83 175.67 3kof h GLU 280 N 0.40 0.97 -0.09 3.45 5.08 -1.84 -0.38 114.58 122.16 3kof h GLU 280 Ca 0.11 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3kof h GLU 280 Cb 0.10 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3kof h GLU 280 CO -0.02 0.88 0.00 0.35 -1.00 0.00 0.00 179.01 179.22 3kof h PHE 281 N 0.89 -0.00 -0.38 4.33 3.57 -0.58 -0.26 116.94 124.51 3kof h PHE 281 Ca 0.19 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 3kof h PHE 281 Cb 0.33 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 3kof h PHE 281 CO 0.02 -0.01 0.24 -0.07 -2.23 0.00 0.00 178.31 176.26 3kof h LEU 282 N 0.03 0.45 -0.28 0.59 3.38 -0.54 0.82 115.31 119.76 3kof h LEU 282 Ca 0.04 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.03 3kof h LEU 282 Cb 0.05 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 3kof h LEU 282 CO -0.07 0.36 -0.14 -0.25 0.09 0.00 0.00 178.44 178.43 3kof h TRP 283 N 0.50 -0.34 -0.07 1.13 2.91 -0.95 -2.12 115.95 117.02 3kof h TRP 283 Ca 0.14 0.03 -0.22 0.00 1.13 0.00 0.00 58.89 59.96 3kof h TRP 283 Cb -0.01 0.19 0.01 0.00 -0.51 0.00 0.00 29.16 28.84 3kof h TRP 283 CO -0.04 -0.21 -0.86 1.96 -1.03 0.00 0.00 178.44 178.26 3kof h GLN 284 N -0.10 0.59 -0.49 2.65 4.20 -0.60 -2.14 115.11 119.23 3kof h GLN 284 Ca 0.15 -0.55 -0.01 0.00 0.06 0.00 0.00 58.65 58.29 3kof h GLN 284 Cb 0.32 0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 3kof h GLN 284 CO -0.35 1.17 0.25 1.25 -0.67 0.00 0.00 178.83 180.49 3kof h HIS 285 N 0.38 0.68 0.00 2.96 2.76 -0.84 -2.83 115.15 118.26 3kof h HIS 285 Ca -0.07 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.08 3kof h HIS 285 Cb 1.49 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 30.23 3kof h HIS 285 CO 0.07 0.52 0.00 0.09 -1.30 0.00 0.00 177.93 177.31 3kof n ASN 286 N -4.65 0.00 0.03 3.26 3.02 -0.80 -1.89 115.26 114.23 3kof n ASN 286 Ca 0.02 -0.19 0.10 0.00 -0.03 0.00 0.00 54.58 54.48 3kof n ASN 286 Cb 0.10 -0.24 0.42 0.00 -0.61 0.00 0.00 39.78 39.44 3kof n ASN 286 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kof n GLN 287 N -1.24 0.05 -3.70 3.52 1.13 -0.82 -4.60 117.38 111.72 3kof n GLN 287 Ca 0.13 0.21 -0.37 0.00 -1.94 0.00 0.00 57.00 55.03 3kof n GLN 287 Cb 0.19 -1.58 -0.10 0.00 0.11 0.00 0.00 30.24 28.86 3kof n GLN 287 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3kof s ASP 288 N -3.29 5.38 0.48 1.08 -1.08 -0.79 -4.97 116.67 113.47 3kof s ASP 288 Ca 0.09 -2.48 0.20 0.00 -0.52 0.00 0.00 52.55 49.84 3kof s ASP 288 Cb 0.12 -1.88 1.22 0.00 -1.46 0.00 0.00 42.92 40.91 3kof s ASP 288 CO 0.37 -0.47 2.03 1.55 0.52 0.00 0.00 175.17 179.17 3kof h PRO 289 N 7.55 0.00 -0.21 4.34 0.13 -1.84 -0.28 132.00 141.70 3kof h PRO 289 Ca -0.07 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.03 3kof h PRO 289 Cb 1.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 3kof h PRO 289 CO 0.73 0.16 0.00 1.98 -0.23 0.00 0.00 178.00 180.64 3kof h MET 290 N 0.00 0.36 -0.60 0.86 1.85 -1.94 -2.28 114.93 113.18 3kof h MET 290 Ca -0.00 -0.11 -0.09 0.00 -0.61 0.00 0.00 59.70 58.88 3kof h MET 290 Cb 0.32 -0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.30 3kof h MET 290 CO 0.02 0.55 0.01 0.00 -0.40 0.00 0.00 176.91 177.10 3kof h ALA 291 N 0.79 0.81 -0.13 0.39 0.00 -1.59 0.11 119.26 119.64 3kof h ALA 291 Ca 0.06 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.71 3kof h ALA 291 Cb 0.39 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 3kof h ALA 291 CO 0.01 0.64 -0.24 0.28 0.00 0.00 0.00 179.25 179.93 3kof h VAL 292 N 0.95 0.41 0.39 0.00 2.07 -1.07 -1.87 116.25 117.13 3kof h VAL 292 Ca 0.17 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.67 3kof h VAL 292 Cb 0.54 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3kof h VAL 292 CO 0.03 0.00 -0.19 -0.78 0.02 0.00 0.00 177.57 176.65 3kof h ASP 293 N -0.31 -0.45 0.28 0.57 3.58 -1.10 -3.22 116.42 115.78 3kof h ASP 293 Ca 0.10 -0.09 -0.18 0.00 0.42 0.00 0.00 57.03 57.28 3kof h ASP 293 Cb 0.46 0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.62 3kof h ASP 293 CO -0.31 -0.16 -0.72 0.11 -2.88 0.00 0.00 179.24 175.28 3kof h LYS 294 N -0.74 0.38 0.15 0.28 1.79 -0.89 -0.36 116.57 117.17 3kof h LYS 294 Ca -0.05 -0.31 -0.01 0.00 -2.18 0.00 0.00 60.65 58.10 3kof h LYS 294 Cb 0.51 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 3kof h LYS 294 CO 0.09 0.95 -0.07 1.25 -1.08 0.00 0.00 179.45 180.59 3kof h LEU 295 N 0.26 -0.17 -0.68 2.94 5.85 -1.48 -0.24 115.31 121.80 3kof h LEU 295 Ca -0.03 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 3kof h LEU 295 Cb 1.29 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.33 3kof h LEU 295 CO 0.12 -0.07 0.40 0.00 -0.34 0.00 0.00 178.44 178.56 3kof h ALA 296 N 0.59 0.86 -0.39 1.25 0.00 -1.53 -2.44 119.26 117.60 3kof h ALA 296 Ca -0.02 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3kof h ALA 296 Cb 0.20 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3kof h ALA 296 CO 0.03 0.34 -0.02 1.49 0.00 0.00 0.00 179.25 181.10 3kof h GLU 297 N 0.92 0.70 -0.46 0.00 4.81 -0.96 -1.87 114.58 117.72 3kof h GLU 297 Ca 0.24 -0.23 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 3kof h GLU 297 Cb -0.02 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3kof h GLU 297 CO -0.04 0.81 -0.11 0.78 -0.73 0.00 0.00 179.01 179.71 3kof h GLY 298 N 0.52 0.90 0.99 1.92 0.00 -0.96 -0.86 103.07 105.58 3kof h GLY 298 Ca 0.11 -0.69 0.00 0.00 0.00 0.00 0.00 47.33 46.74 3kof h GLY 298 CO 0.02 0.64 0.02 -2.22 0.00 0.00 0.00 176.54 175.00 3kof h ILE 299 N 0.75 1.00 -0.49 2.60 2.04 -1.34 -2.12 117.51 119.95 3kof h ILE 299 Ca 0.12 -0.01 0.08 0.00 1.00 0.00 0.00 64.86 66.05 3kof h ILE 299 Cb 0.61 0.97 -0.06 0.00 -0.74 0.00 0.00 36.82 37.60 3kof h ILE 299 CO 0.04 0.01 0.14 0.03 0.00 0.00 0.00 178.15 178.36 3kof h ARG 300 N 0.03 0.28 -0.42 2.37 3.08 -1.00 -1.98 114.38 116.74 3kof h ARG 300 Ca 0.01 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 3kof h ARG 300 Cb -0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3kof h ARG 300 CO -0.01 0.19 0.04 0.87 -1.07 0.00 0.00 179.97 179.99 3kof h LYS 301 N 0.29 0.72 0.00 0.04 1.57 -1.08 -2.27 116.57 115.84 3kof h LYS 301 Ca 0.24 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 3kof h LYS 301 Cb 0.29 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3kof h LYS 301 CO -0.28 0.78 -0.23 0.74 -0.57 0.00 0.00 179.45 179.89 3kof h PHE 302 N 0.57 0.00 -0.04 -1.35 0.04 -1.25 -1.52 116.94 113.39 3kof h PHE 302 Ca 0.12 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.72 3kof h PHE 302 Cb 0.43 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.57 3kof h PHE 302 CO 0.03 0.23 -0.73 0.00 -0.60 0.00 0.00 178.31 177.24 3kof h ALA 303 N 1.77 0.68 -0.43 2.45 0.00 -1.02 -1.26 119.26 121.46 3kof h ALA 303 Ca -0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 54.91 54.21 3kof h ALA 303 Cb 0.43 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3kof h ALA 303 CO 0.03 0.80 -0.01 0.82 0.00 0.00 0.00 179.25 180.89 3kof h ILE 304 N 0.17 1.26 -0.90 0.00 2.04 -0.98 -1.82 117.51 117.27 3kof h ILE 304 Ca -0.02 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 64.79 3kof h ILE 304 Cb 1.29 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 38.41 3kof h ILE 304 CO 0.11 0.36 0.57 0.44 0.00 0.00 0.00 178.15 179.63 3kof h ASP 305 N 0.60 1.05 -0.51 1.72 3.32 -1.16 -0.41 116.42 121.04 3kof h ASP 305 Ca 0.12 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 3kof h ASP 305 Cb 0.50 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3kof h ASP 305 CO 0.02 0.78 0.25 -0.61 -1.72 0.00 0.00 179.24 177.97 3kof h GLN 306 N 1.23 0.73 -0.49 3.56 5.75 -1.03 -0.68 115.11 124.17 3kof h GLN 306 Ca 0.33 -0.10 -0.10 0.00 -0.15 0.00 0.00 58.65 58.62 3kof h GLN 306 Cb -0.10 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.30 3kof h GLN 306 CO -0.07 0.60 -0.11 0.93 -2.65 0.00 0.00 178.83 177.53 3kof h GLU 307 N 0.68 0.91 -0.50 1.69 5.08 -0.67 0.64 114.58 122.40 3kof h GLU 307 Ca 0.18 -0.32 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 3kof h GLU 307 Cb 0.10 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3kof h GLU 307 CO -0.02 0.97 0.08 0.87 -1.00 0.00 0.00 179.01 179.90 3kof h LYS 308 N 0.81 0.78 -0.25 2.33 1.57 -0.88 0.14 116.57 121.07 3kof h LYS 308 Ca 0.13 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3kof h LYS 308 Cb 0.64 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 3kof h LYS 308 CO 0.04 0.74 0.09 1.25 -0.57 0.00 0.00 179.45 181.00 3kof h LEU 309 N 0.74 0.36 -1.16 2.94 6.46 -0.58 -1.61 115.31 122.46 3kof h LEU 309 Ca 0.16 -0.19 -0.03 0.00 -0.12 0.00 0.00 57.88 57.70 3kof h LEU 309 Cb 0.34 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.15 3kof h LEU 309 CO 0.01 0.45 0.22 -0.33 -0.62 0.00 0.00 178.44 178.17 3kof h GLU 310 N 0.25 0.81 -0.08 1.25 5.08 -0.52 -0.80 114.58 120.57 3kof h GLU 310 Ca 0.08 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3kof h GLU 310 Cb 0.22 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 3kof h GLU 310 CO -0.00 0.67 0.04 -0.22 -1.00 0.00 0.00 179.01 178.49 3kof h LYS 311 N 0.80 0.11 -0.27 2.33 1.63 -0.50 0.04 116.57 120.70 3kof h LYS 311 Ca 0.19 -0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.99 3kof h LYS 311 Cb 0.16 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.75 3kof h LYS 311 CO -0.02 0.17 0.15 1.98 -3.45 0.00 0.00 179.45 178.29 3kof h MET 312 N 0.01 0.30 -0.57 1.90 4.05 -1.00 -2.21 114.93 117.41 3kof h MET 312 Ca 0.03 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.41 3kof h MET 312 Cb 0.10 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 30.81 3kof h MET 312 CO -0.00 0.20 0.28 0.82 0.23 0.00 0.00 176.91 178.43 3kof h ILE 313 N 0.31 1.21 -0.79 1.77 1.08 -1.12 -2.86 117.51 117.11 3kof h ILE 313 Ca 0.11 -0.58 0.05 0.00 -0.39 0.00 0.00 64.86 64.05 3kof h ILE 313 Cb 0.01 0.53 -0.05 0.00 -3.07 0.00 0.00 36.82 34.24 3kof h ILE 313 CO -0.06 0.23 0.52 1.23 -0.69 0.00 0.00 178.15 179.38 3kof h GLY 314 N 0.78 1.10 2.00 5.37 0.00 -0.70 -0.55 103.07 111.07 3kof h GLY 314 Ca 0.20 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 3kof h GLY 314 CO -0.03 0.28 -0.07 -0.55 0.00 0.00 0.00 176.54 176.18 3kof h ASP 315 N 0.90 0.00 0.84 0.19 3.32 -1.17 -2.91 116.42 117.59 3kof h ASP 315 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 3kof h ASP 315 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3kof h ASP 315 CO -0.11 0.07 -0.97 0.18 -1.72 0.00 0.00 179.24 176.69 3kof n LEU 316 N -3.80 0.74 0.00 1.55 4.77 -0.24 -5.12 117.00 114.90 3kof n LEU 316 Ca -0.02 0.24 0.09 0.00 -0.03 0.00 0.00 56.01 56.29 3kof n LEU 316 Cb 0.17 -0.09 0.53 0.00 -2.33 0.00 0.00 43.42 41.70 3kof n LEU 316 CO 0.29 -0.12 0.73 0.18 -1.33 0.00 0.00 177.39 177.15