#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fwn s LYS 3 N 0.00 0.82 0.22 4.33 1.02 -1.26 -4.88 119.74 119.98 3fwn s LYS 3 Ca 0.00 -0.75 -0.07 0.00 0.02 0.00 0.00 55.97 55.17 3fwn s LYS 3 Cb 0.00 -0.79 -0.06 0.00 -0.52 0.00 0.00 37.83 36.46 3fwn s LYS 3 CO 0.00 0.19 0.49 -0.65 -0.92 0.00 0.00 175.35 174.46 3fwn s GLN 4 N -1.23 3.69 0.30 1.68 1.11 -0.15 -4.79 119.66 120.27 3fwn s GLN 4 Ca -0.01 0.08 0.26 0.00 0.01 0.00 0.00 55.36 55.70 3fwn s GLN 4 Cb -0.08 -2.71 0.81 0.00 -1.01 0.00 0.00 33.01 30.02 3fwn s GLN 4 CO 0.01 0.34 1.75 1.96 0.01 0.00 0.00 175.29 179.36 3fwn h GLN 5 N 2.39 0.00 -2.07 2.91 4.20 -1.89 -1.28 115.11 119.37 3fwn h GLN 5 Ca -0.47 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.19 3fwn h GLN 5 Cb 1.17 0.00 -0.19 0.00 0.30 0.00 0.00 27.48 28.77 3fwn h GLN 5 CO 0.69 0.00 0.20 -1.50 -0.67 0.00 0.00 178.83 177.56 3fwn s ILE 6 N -3.22 0.00 0.12 2.54 2.07 -1.26 -4.31 121.20 117.14 3fwn s ILE 6 Ca 0.08 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.37 3fwn s ILE 6 Cb 0.10 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.65 3fwn s ILE 6 CO 0.56 0.00 -0.13 -0.83 -1.91 0.00 0.00 174.94 172.63 3fwn s GLY 7 N -1.32 1.04 -0.14 1.50 0.00 -0.93 -2.39 107.32 105.08 3fwn s GLY 7 Ca -0.10 -1.32 0.01 0.00 0.00 0.00 0.00 44.72 43.32 3fwn s GLY 7 CO 0.08 -1.38 -0.17 0.14 0.00 0.00 0.00 173.10 171.77 3fwn s VAL 8 N -2.40 1.70 -0.23 1.40 1.01 -0.09 -1.05 120.40 120.75 3fwn s VAL 8 Ca 0.10 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.25 3fwn s VAL 8 Cb -0.03 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 3fwn s VAL 8 CO 0.02 0.48 0.12 -0.69 0.00 0.00 0.00 175.10 175.03 3fwn s VAL 9 N 1.16 5.02 0.00 2.92 1.01 0.04 -1.84 120.40 128.71 3fwn s VAL 9 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.02 3fwn s VAL 9 Cb -0.14 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.92 3fwn s VAL 9 CO -0.06 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.02 3fwn n GLY 10 N 4.21 1.25 2.03 4.51 0.00 -0.46 -0.43 105.19 116.29 3fwn n GLY 10 Ca -0.16 -0.74 -0.05 0.00 0.00 0.00 0.00 46.02 45.07 3fwn n GLY 10 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3fwn n MET 11 N 0.33 3.92 -0.42 1.61 0.00 -1.26 -3.46 117.12 117.84 3fwn n MET 11 Ca 0.00 -3.11 -0.11 0.00 0.00 0.00 0.00 57.70 54.48 3fwn n MET 11 Cb 0.00 -2.24 0.09 0.00 0.00 0.00 0.00 33.22 31.07 3fwn n MET 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3fwn n ALA 12 N -0.05 -1.13 -0.19 3.04 0.00 -1.26 -4.28 120.51 116.63 3fwn n ALA 12 Ca 0.40 -0.59 -0.01 0.00 0.00 0.00 0.00 53.44 53.24 3fwn n ALA 12 Cb 1.39 -0.04 0.09 0.00 0.00 0.00 0.00 19.45 20.89 3fwn n ALA 12 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3fwn h VAL 13 N -1.86 0.82 0.10 0.00 3.04 -1.97 -0.63 116.25 115.75 3fwn h VAL 13 Ca -0.15 -0.15 -0.00 0.00 -1.01 0.00 0.00 66.70 65.39 3fwn h VAL 13 Cb 0.45 0.35 0.00 0.00 -2.01 0.00 0.00 31.29 30.07 3fwn h VAL 13 CO 0.10 0.08 -0.05 0.24 -1.01 0.00 0.00 177.57 176.93 3fwn h MET 14 N 0.44 -0.13 -0.22 4.17 0.00 -1.91 -0.50 114.93 116.78 3fwn h MET 14 Ca 0.29 0.01 -0.03 0.00 0.00 0.00 0.00 59.70 59.96 3fwn h MET 14 Cb 0.31 0.03 -0.01 0.00 0.00 0.00 0.00 31.60 31.93 3fwn h MET 14 CO -0.27 0.09 0.00 0.78 0.00 0.00 0.00 176.91 177.52 3fwn h GLY 15 N -0.34 0.41 1.02 8.32 0.00 -1.63 -1.24 103.07 109.61 3fwn h GLY 15 Ca -0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 3fwn h GLY 15 CO 0.02 0.28 0.44 0.07 0.00 0.00 0.00 176.54 177.35 3fwn h ARG 16 N 0.15 1.11 -0.20 4.80 0.11 -1.14 0.46 114.38 119.68 3fwn h ARG 16 Ca 0.06 -0.13 -0.06 0.00 0.10 0.00 0.00 59.98 59.96 3fwn h ARG 16 Cb 0.39 -0.22 -0.01 0.00 1.11 0.00 0.00 29.97 31.24 3fwn h ARG 16 CO 0.01 0.82 -0.14 -0.91 0.10 0.00 0.00 179.97 179.85 3fwn h ASN 17 N 1.11 0.31 -0.29 0.08 -0.26 -0.97 -0.39 115.58 115.18 3fwn h ASN 17 Ca 0.28 -0.07 -0.17 0.00 -0.56 0.00 0.00 56.30 55.78 3fwn h ASN 17 Cb 0.02 -0.08 -0.00 0.00 -1.06 0.00 0.00 38.32 37.20 3fwn h ASN 17 CO -0.05 0.48 -0.47 -0.07 -1.06 0.00 0.00 177.43 176.27 3fwn h LEU 18 N 0.31 0.92 -0.79 1.61 3.38 -0.55 -0.88 115.31 119.31 3fwn h LEU 18 Ca 0.06 -0.52 -0.05 0.00 0.09 0.00 0.00 57.88 57.46 3fwn h LEU 18 Cb 0.43 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3fwn h LEU 18 CO 0.03 1.26 0.29 0.00 0.09 0.00 0.00 178.44 180.10 3fwn h ALA 19 N 0.68 1.03 -0.17 1.53 0.00 -0.50 -1.18 119.26 120.66 3fwn h ALA 19 Ca 0.02 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 3fwn h ALA 19 Cb 1.07 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3fwn h ALA 19 CO 0.11 0.67 -0.29 -0.07 0.00 0.00 0.00 179.25 179.67 3fwn h LEU 20 N 1.15 0.33 -0.08 0.00 3.38 -0.87 -0.49 115.31 118.73 3fwn h LEU 20 Ca 0.26 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3fwn h LEU 20 Cb 0.25 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3fwn h LEU 20 CO -0.02 0.62 0.02 -1.13 0.09 0.00 0.00 178.44 178.02 3fwn h ASN 21 N 0.29 0.11 -0.40 -0.43 -0.73 -0.50 -0.62 115.58 113.30 3fwn h ASN 21 Ca 0.04 -0.21 0.03 0.00 1.87 0.00 0.00 56.30 58.03 3fwn h ASN 21 Cb 0.66 -0.03 -0.03 0.00 0.27 0.00 0.00 38.32 39.19 3fwn h ASN 21 CO 0.05 0.30 0.19 0.40 -0.37 0.00 0.00 177.43 178.00 3fwn h ILE 22 N -0.08 0.97 -0.96 2.57 2.04 -1.02 -2.67 117.51 118.36 3fwn h ILE 22 Ca 0.02 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.76 3fwn h ILE 22 Cb 0.23 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 36.80 3fwn h ILE 22 CO -0.00 0.07 0.64 -0.08 0.00 0.00 0.00 178.15 178.78 3fwn h GLU 23 N 0.39 1.27 0.00 2.37 4.22 -0.93 -1.64 114.58 120.26 3fwn h GLU 23 Ca 0.17 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.53 3fwn h GLU 23 Cb 0.08 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.05 3fwn h GLU 23 CO -0.12 0.84 0.00 -1.13 -2.18 0.00 0.00 179.01 176.41 3fwn n SER 24 N -4.41 0.58 -0.42 1.04 3.41 -0.25 -1.25 113.62 112.32 3fwn n SER 24 Ca 0.11 0.70 0.14 0.00 -0.26 0.00 0.00 58.87 59.56 3fwn n SER 24 Cb 0.01 -0.80 0.47 0.00 -0.26 0.00 0.00 64.21 63.63 3fwn n SER 24 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3fwn n ARG 25 N -2.21 1.43 0.00 4.33 5.12 -0.62 -4.91 116.66 119.80 3fwn n ARG 25 Ca 0.00 -0.85 0.00 0.00 -1.93 0.00 0.00 57.85 55.08 3fwn n ARG 25 Cb 0.13 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 29.95 3fwn n ARG 25 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3fwn n GLY 26 N 1.23 0.73 3.87 -0.13 0.00 -0.38 -5.10 105.19 105.41 3fwn n GLY 26 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3fwn n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fwn s TYR 27 N -2.00 3.45 -0.22 1.61 1.51 -1.20 -5.03 117.35 115.46 3fwn s TYR 27 Ca 0.00 1.05 -0.11 0.00 -1.01 0.00 0.00 57.07 57.00 3fwn s TYR 27 Cb 0.00 -2.43 -0.05 0.00 -0.11 0.00 0.00 41.96 39.37 3fwn s TYR 27 CO 0.00 -0.03 0.18 0.99 -1.11 0.00 0.00 175.55 175.58 3fwn s THR 28 N -2.24 5.36 -0.10 -0.71 2.01 -1.26 -4.19 115.64 114.50 3fwn s THR 28 Ca 0.51 0.24 0.03 0.00 0.31 0.00 0.00 61.69 62.77 3fwn s THR 28 Cb -0.10 -3.52 -0.01 0.00 0.01 0.00 0.00 72.50 68.88 3fwn s THR 28 CO 0.28 0.36 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.69 3fwn s VAL 29 N 0.89 2.52 0.25 3.82 1.01 -0.65 -4.25 120.40 123.98 3fwn s VAL 29 Ca 0.09 -0.87 -0.20 0.00 0.00 0.00 0.00 61.98 61.01 3fwn s VAL 29 Cb -0.13 -2.00 -0.09 0.00 0.00 0.00 0.00 36.38 34.17 3fwn s VAL 29 CO 0.03 0.55 0.75 -0.44 0.00 0.00 0.00 175.10 175.99 3fwn s SER 30 N 0.21 7.05 0.06 3.32 0.01 -1.00 -1.12 113.70 122.22 3fwn s SER 30 Ca -0.12 1.45 0.03 0.00 1.31 0.00 0.00 55.95 58.62 3fwn s SER 30 Cb -0.16 -2.43 -0.03 0.00 0.21 0.00 0.00 66.02 63.61 3fwn s SER 30 CO 0.06 -0.02 -0.10 0.27 0.41 0.00 0.00 173.24 173.87 3fwn s ILE 31 N -1.60 0.74 -0.09 1.44 -4.36 -0.41 -0.91 121.20 116.01 3fwn s ILE 31 Ca 0.46 -1.27 -0.20 0.00 -0.26 0.00 0.00 60.65 59.38 3fwn s ILE 31 Cb -0.16 -0.89 0.05 0.00 1.25 0.00 0.00 42.46 42.71 3fwn s ILE 31 CO 0.21 -0.40 0.48 0.12 0.24 0.00 0.00 174.94 175.59 3fwn s PHE 32 N -1.65 -0.45 0.00 1.37 5.36 -0.76 -1.91 117.98 119.94 3fwn s PHE 32 Ca -0.05 0.91 -0.04 0.00 -0.96 0.00 0.00 56.93 56.80 3fwn s PHE 32 Cb -0.08 0.22 -0.00 0.00 -0.34 0.00 0.00 43.02 42.81 3fwn s PHE 32 CO 0.00 -0.40 0.06 1.21 -1.46 0.00 0.00 175.22 174.63 3fwn s ASN 33 N -0.70 0.07 0.32 6.13 2.47 -1.26 -1.35 114.94 120.63 3fwn s ASN 33 Ca -0.08 -0.22 0.02 0.00 0.42 0.00 0.00 52.86 53.01 3fwn s ASN 33 Cb -0.03 0.16 0.60 0.00 -1.45 0.00 0.00 41.25 40.52 3fwn s ASN 33 CO 0.04 -0.26 1.94 -0.09 -3.72 0.00 0.00 177.10 175.02 3fwn h ARG 34 N 4.86 0.91 -4.30 0.43 2.43 -1.99 -3.34 114.38 113.38 3fwn h ARG 34 Ca -0.30 -0.05 -0.73 0.00 -0.81 0.00 0.00 59.98 58.09 3fwn h ARG 34 Cb 1.20 -0.21 -0.27 0.00 -0.42 0.00 0.00 29.97 30.28 3fwn h ARG 34 CO 0.42 0.60 -0.37 -1.12 -1.51 0.00 0.00 179.97 177.99 3fwn s SER 35 N -6.14 5.85 0.55 -3.80 0.01 -1.26 -4.97 113.70 103.93 3fwn s SER 35 Ca -0.11 -1.69 0.38 0.00 1.31 0.00 0.00 55.95 55.85 3fwn s SER 35 Cb 0.19 -2.07 1.55 0.00 0.21 0.00 0.00 66.02 65.91 3fwn s SER 35 CO 0.79 -0.68 1.74 0.08 0.41 0.00 0.00 173.24 175.58 3fwn h ARG 36 N 8.57 0.00 -0.68 12.44 0.11 -1.95 -1.57 114.38 131.29 3fwn h ARG 36 Ca -0.24 0.00 0.02 0.00 0.10 0.00 0.00 59.98 59.86 3fwn h ARG 36 Cb 1.09 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.13 3fwn h ARG 36 CO 0.87 0.00 0.45 1.05 0.10 0.00 0.00 179.97 182.44 3fwn h GLU 37 N 0.00 0.84 -0.28 0.08 4.11 -1.93 -1.22 114.58 116.18 3fwn h GLU 37 Ca 0.61 -0.05 -0.11 0.00 0.07 0.00 0.00 59.36 59.88 3fwn h GLU 37 Cb 2.53 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 31.57 3fwn h GLU 37 CO -0.01 0.56 -0.27 -0.22 0.07 0.00 0.00 179.01 179.14 3fwn h LYS 38 N 0.87 0.55 0.35 1.06 3.64 -1.68 -1.84 116.57 119.51 3fwn h LYS 38 Ca 0.26 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 3fwn h LYS 38 Cb -0.01 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3fwn h LYS 38 CO -0.07 0.77 -0.17 1.15 -2.27 0.00 0.00 179.45 178.87 3fwn h THR 39 N 0.48 0.64 -0.93 1.00 2.02 -1.50 -1.96 112.91 112.66 3fwn h THR 39 Ca 0.06 -0.48 0.17 0.00 0.77 0.00 0.00 66.41 66.93 3fwn h THR 39 Cb 0.72 0.88 -0.08 0.00 -1.74 0.00 0.00 68.15 67.93 3fwn h THR 39 CO 0.06 0.09 0.59 -0.33 0.37 0.00 0.00 175.52 176.30 3fwn h GLU 40 N -0.75 0.64 0.39 6.66 5.08 -1.22 0.23 114.58 125.61 3fwn h GLU 40 Ca -0.05 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 3fwn h GLU 40 Cb 0.51 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3fwn h GLU 40 CO 0.08 0.42 -0.19 0.93 -1.00 0.00 0.00 179.01 179.25 3fwn h GLU 41 N 0.66 -0.51 -0.93 2.33 5.08 -1.15 0.63 114.58 120.69 3fwn h GLU 41 Ca 0.48 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.91 3fwn h GLU 41 Cb 0.86 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.17 3fwn h GLU 41 CO -0.24 -0.29 0.61 0.28 -1.00 0.00 0.00 179.01 178.36 3fwn h VAL 42 N -0.60 1.18 0.11 3.13 2.07 -0.42 0.85 116.25 122.56 3fwn h VAL 42 Ca -0.05 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 3fwn h VAL 42 Cb 0.45 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 3fwn h VAL 42 CO 0.09 0.22 -0.05 0.40 0.02 0.00 0.00 177.57 178.24 3fwn h ILE 43 N 1.19 0.93 -0.53 4.57 1.08 -0.83 -1.30 117.51 122.62 3fwn h ILE 43 Ca 0.36 -0.14 0.01 0.00 -0.39 0.00 0.00 64.86 64.70 3fwn h ILE 43 Cb -0.03 1.02 -0.03 0.00 -3.07 0.00 0.00 36.82 34.71 3fwn h ILE 43 CO -0.11 0.03 0.35 0.00 -0.69 0.00 0.00 178.15 177.74 3fwn h ALA 44 N 0.69 1.62 0.00 1.87 0.00 -0.48 -2.64 119.26 120.31 3fwn h ALA 44 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3fwn h ALA 44 Cb 0.16 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3fwn h ALA 44 CO 0.02 0.35 -0.10 0.39 0.00 0.00 0.00 179.25 179.91 3fwn n GLU 45 N -4.46 0.22 -3.48 0.00 1.02 0.26 -4.35 120.64 109.85 3fwn n GLU 45 Ca 0.05 0.16 -0.27 0.00 -0.02 0.00 0.00 57.16 57.08 3fwn n GLU 45 Cb 0.05 -1.74 -0.09 0.00 -0.02 0.00 0.00 31.44 29.64 3fwn n GLU 45 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3fwn n ASN 46 N -2.12 2.07 -0.12 1.62 3.02 -0.53 -5.01 115.26 114.20 3fwn n ASN 46 Ca 0.05 -3.04 -0.14 0.00 -0.03 0.00 0.00 54.58 51.42 3fwn n ASN 46 Cb 0.42 -0.67 -0.10 0.00 -0.61 0.00 0.00 39.78 38.82 3fwn n ASN 46 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3fwn h PRO 47 N 4.67 -0.41 -0.00 3.52 0.13 -1.76 -2.86 132.00 135.29 3fwn h PRO 47 Ca 0.17 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 3fwn h PRO 47 Cb 0.77 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.00 3fwn h PRO 47 CO 0.65 -0.27 -0.05 0.41 -0.23 0.00 0.00 178.00 178.51 3fwn n GLY 48 N -1.38 -1.27 3.73 1.56 0.00 -1.26 -4.91 105.19 101.66 3fwn n GLY 48 Ca -0.04 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 3fwn n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fwn s LYS 49 N -2.67 4.24 -0.87 1.61 -0.14 -1.08 -4.88 119.74 115.96 3fwn s LYS 49 Ca 0.25 2.32 -0.06 0.00 -1.36 0.00 0.00 55.97 57.11 3fwn s LYS 49 Cb 0.20 -3.15 -0.09 0.00 -1.68 0.00 0.00 37.83 33.11 3fwn s LYS 49 CO 0.49 -0.53 2.42 1.63 -0.76 0.00 0.00 175.35 178.60 3fwn n LYS 50 N 3.40 2.29 -4.16 1.68 5.02 -1.26 -4.82 118.16 120.30 3fwn n LYS 50 Ca 0.11 -1.45 -0.35 0.00 -2.02 0.00 0.00 58.31 54.61 3fwn n LYS 50 Cb 0.39 -2.39 -0.10 0.00 -0.02 0.00 0.00 35.03 32.92 3fwn n LYS 50 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fwn s LEU 51 N 0.09 3.70 -0.27 -0.35 1.43 -1.26 -1.64 118.68 120.38 3fwn s LEU 51 Ca 0.48 0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.70 3fwn s LEU 51 Cb 0.15 -1.90 0.07 0.00 0.03 0.00 0.00 46.19 44.53 3fwn s LEU 51 CO -0.03 0.25 -0.09 -0.69 0.23 0.00 0.00 176.35 176.02 3fwn s VAL 52 N -0.08 2.15 0.35 -1.59 1.01 -0.27 -4.97 120.40 117.00 3fwn s VAL 52 Ca 0.05 -1.71 -0.25 0.00 0.00 0.00 0.00 61.98 60.07 3fwn s VAL 52 Cb -0.12 -2.31 -0.10 0.00 0.00 0.00 0.00 36.38 33.85 3fwn s VAL 52 CO 0.01 -0.11 1.00 -2.16 0.00 0.00 0.00 175.10 173.84 3fwn s PRO 53 N 1.09 4.42 0.04 2.72 0.04 -1.26 -1.28 135.00 140.77 3fwn s PRO 53 Ca -0.06 1.44 0.03 0.00 0.04 0.00 0.00 61.00 62.44 3fwn s PRO 53 Cb -0.20 -2.72 -0.02 0.00 0.04 0.00 0.00 34.50 31.60 3fwn s PRO 53 CO -0.06 0.11 -0.09 0.71 0.04 0.00 0.00 177.00 177.71 3fwn s TYR 54 N -1.60 0.76 -0.01 0.56 2.02 -0.80 -4.91 117.35 113.37 3fwn s TYR 54 Ca 0.53 -0.46 0.01 0.00 -0.37 0.00 0.00 57.07 56.77 3fwn s TYR 54 Cb -0.21 -0.45 0.02 0.00 -0.40 0.00 0.00 41.96 40.92 3fwn s TYR 54 CO 0.27 -0.05 0.91 0.66 -1.57 0.00 0.00 175.55 175.76 3fwn n TYR 55 N 1.53 0.00 -4.23 2.71 4.02 -1.26 -4.55 117.16 115.39 3fwn n TYR 55 Ca -0.22 -0.42 -0.17 0.00 -0.01 0.00 0.00 57.90 57.08 3fwn n TYR 55 Cb 0.55 -0.05 -0.13 0.00 -0.02 0.00 0.00 39.34 39.69 3fwn n TYR 55 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 3fwn s THR 56 N -0.90 0.78 0.22 -0.72 -1.32 -1.26 -5.00 115.64 107.44 3fwn s THR 56 Ca 0.02 -0.84 -0.05 0.00 -1.21 0.00 0.00 61.69 59.61 3fwn s THR 56 Cb 0.02 -0.74 0.06 0.00 -1.51 0.00 0.00 72.50 70.33 3fwn s THR 56 CO 0.00 -0.08 1.67 -0.37 -2.21 0.00 0.00 174.62 173.63 3fwn h VAL 57 N 4.62 1.26 0.30 5.08 -1.51 -1.94 -1.73 116.25 122.33 3fwn h VAL 57 Ca -0.35 -1.21 -0.00 0.00 -1.23 0.00 0.00 66.70 63.91 3fwn h VAL 57 Cb 1.19 1.03 -0.02 0.00 -2.13 0.00 0.00 31.29 31.36 3fwn h VAL 57 CO 0.44 0.42 -0.26 0.50 -1.23 0.00 0.00 177.57 177.44 3fwn h LYS 58 N 0.76 -0.55 -0.90 5.19 3.64 -1.96 -0.49 116.57 122.26 3fwn h LYS 58 Ca 0.12 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3fwn h LYS 58 Cb 0.62 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.52 3fwn h LYS 58 CO 0.04 -0.37 0.57 0.93 -2.27 0.00 0.00 179.45 178.35 3fwn h GLU 59 N -0.57 1.21 -0.14 1.90 5.08 -1.96 -1.54 114.58 118.56 3fwn h GLU 59 Ca -0.02 -0.09 0.04 0.00 -1.00 0.00 0.00 59.36 58.29 3fwn h GLU 59 Cb 0.51 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 3fwn h GLU 59 CO -0.03 0.83 -0.09 0.35 -1.00 0.00 0.00 179.01 179.06 3fwn h PHE 60 N 1.23 -0.22 -0.78 4.33 3.57 -0.89 -2.00 116.94 122.19 3fwn h PHE 60 Ca 0.33 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.79 3fwn h PHE 60 Cb -0.09 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 3fwn h PHE 60 CO -0.00 -0.14 0.29 0.28 -2.23 0.00 0.00 178.31 176.51 3fwn h VAL 61 N -0.09 1.26 0.00 1.41 2.07 -0.73 -2.56 116.25 117.62 3fwn h VAL 61 Ca 0.09 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 3fwn h VAL 61 Cb 0.22 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 3fwn h VAL 61 CO -0.20 0.34 -0.10 -0.33 0.02 0.00 0.00 177.57 177.31 3fwn h GLU 62 N 1.14 0.00 0.00 1.57 5.08 -1.00 -2.58 114.58 118.80 3fwn h GLU 62 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3fwn h GLU 62 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3fwn h GLU 62 CO -0.02 0.10 0.00 -1.13 -1.00 0.00 0.00 179.01 176.96 3fwn n SER 63 N -3.31 0.00 -4.83 1.42 3.41 -0.78 -4.81 113.62 104.72 3fwn n SER 63 Ca -0.00 0.36 -0.36 0.00 -0.26 0.00 0.00 58.87 58.60 3fwn n SER 63 Cb 0.30 -0.44 -0.07 0.00 -0.26 0.00 0.00 64.21 63.75 3fwn n SER 63 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3fwn s LEU 64 N -2.87 4.19 0.20 1.04 1.43 -0.97 -0.98 118.68 120.71 3fwn s LEU 64 Ca 0.11 0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 53.30 3fwn s LEU 64 Cb 0.12 -2.02 -0.08 0.00 0.03 0.00 0.00 46.19 44.23 3fwn s LEU 64 CO 0.32 0.40 1.20 -0.70 0.23 0.00 0.00 176.35 177.79 3fwn s GLU 65 N -1.02 4.49 0.26 1.70 2.12 -0.48 -4.85 118.70 120.92 3fwn s GLU 65 Ca 0.15 1.90 -0.18 0.00 0.36 0.00 0.00 54.97 57.20 3fwn s GLU 65 Cb -0.12 -3.22 -0.09 0.00 0.26 0.00 0.00 34.13 30.96 3fwn s GLU 65 CO 0.04 -0.07 0.73 0.95 -0.54 0.00 0.00 175.26 176.37 3fwn s THR 66 N -0.22 4.61 0.17 -1.70 -4.23 -1.26 -2.85 115.64 110.16 3fwn s THR 66 Ca 0.52 1.15 -0.31 0.00 -1.18 0.00 0.00 61.69 61.87 3fwn s THR 66 Cb -0.33 -3.75 -0.09 0.00 1.34 0.00 0.00 72.50 69.66 3fwn s THR 66 CO 0.38 0.04 1.42 -2.84 -0.54 0.00 0.00 174.62 173.08 3fwn s PRO 67 N -2.40 4.30 0.35 3.99 0.02 -1.26 -5.09 135.00 134.91 3fwn s PRO 67 Ca 0.48 2.18 -0.28 0.00 0.02 0.00 0.00 61.00 63.40 3fwn s PRO 67 Cb -0.14 -3.19 -0.10 0.00 0.02 0.00 0.00 34.50 31.10 3fwn s PRO 67 CO 0.19 -0.43 1.29 1.03 -0.33 0.00 0.00 177.00 178.75 3fwn s ARG 68 N 0.51 4.28 -0.27 5.54 0.52 -1.13 -4.79 118.95 123.59 3fwn s ARG 68 Ca 0.63 2.16 0.02 0.00 -0.52 0.00 0.00 55.73 58.01 3fwn s ARG 68 Cb -0.39 -2.99 0.06 0.00 0.52 0.00 0.00 34.95 32.14 3fwn s ARG 68 CO 0.35 -0.23 -0.07 1.03 0.02 0.00 0.00 175.30 176.40 3fwn s ARG 69 N -1.89 2.27 -0.23 3.54 0.52 -1.26 0.79 118.95 122.69 3fwn s ARG 69 Ca 0.51 -1.34 0.01 0.00 -0.52 0.00 0.00 55.73 54.39 3fwn s ARG 69 Cb -0.38 -2.99 0.04 0.00 0.52 0.00 0.00 34.95 32.14 3fwn s ARG 69 CO 0.51 -0.60 -0.13 0.42 0.02 0.00 0.00 175.30 175.52 3fwn s ILE 70 N 1.14 2.28 -0.31 1.52 1.01 -0.43 -2.20 121.20 124.21 3fwn s ILE 70 Ca -0.07 -1.28 -0.19 0.00 0.00 0.00 0.00 60.65 59.11 3fwn s ILE 70 Cb -0.20 -2.18 -0.01 0.00 0.01 0.00 0.00 42.46 40.08 3fwn s ILE 70 CO -0.04 0.21 0.55 -0.22 0.00 0.00 0.00 174.94 175.44 3fwn s LEU 71 N 1.21 4.20 -0.34 2.97 2.96 -0.21 -0.26 118.68 129.20 3fwn s LEU 71 Ca -0.02 0.25 -0.11 0.00 -0.22 0.00 0.00 54.13 54.02 3fwn s LEU 71 Cb -0.17 -2.67 -0.00 0.00 0.50 0.00 0.00 46.19 43.84 3fwn s LEU 71 CO -0.08 -0.43 0.21 -0.22 -1.32 0.00 0.00 176.35 174.51 3fwn s LEU 72 N 2.45 4.45 -0.54 -0.68 2.96 0.13 -0.78 118.68 126.66 3fwn s LEU 72 Ca 0.21 -0.60 0.07 0.00 -0.22 0.00 0.00 54.13 53.59 3fwn s LEU 72 Cb -0.15 -2.07 0.29 0.00 0.50 0.00 0.00 46.19 44.76 3fwn s LEU 72 CO 0.12 -0.26 0.78 0.23 -1.32 0.00 0.00 176.35 175.89 3fwn n MET 73 N 5.05 2.27 -3.89 1.98 2.81 0.42 -1.64 117.12 124.13 3fwn n MET 73 Ca -0.13 -4.34 -0.25 0.00 -1.81 0.00 0.00 57.70 51.17 3fwn n MET 73 Cb 0.49 -2.01 -0.03 0.00 -0.71 0.00 0.00 33.22 30.95 3fwn n MET 73 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 3fwn n VAL 74 N 0.49 0.00 -1.87 2.03 0.24 -1.26 -4.39 118.33 113.57 3fwn n VAL 74 Ca 0.28 -1.96 -0.42 0.00 -2.04 0.00 0.00 64.34 60.20 3fwn n VAL 74 Cb 0.46 0.16 -0.03 0.00 -1.47 0.00 0.00 33.84 32.95 3fwn n VAL 74 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3fwn s LYS 75 N -3.75 4.19 0.71 7.34 2.20 -1.26 -4.74 119.74 124.42 3fwn s LYS 75 Ca 0.13 2.43 -0.16 0.00 -0.36 0.00 0.00 55.97 58.01 3fwn s LYS 75 Cb -0.01 -3.21 0.01 0.00 -1.51 0.00 0.00 37.83 33.12 3fwn s LYS 75 CO 0.08 -0.67 1.15 0.00 -0.36 0.00 0.00 175.35 175.55 3fwn n ALA 76 N 4.25 0.38 0.00 3.13 0.00 -1.26 -2.58 120.51 124.42 3fwn n ALA 76 Ca 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3fwn n ALA 76 Cb 0.38 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.60 3fwn n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fwn n GLY 77 N 0.92 0.89 0.23 0.00 0.00 -1.26 -4.43 105.19 101.54 3fwn n GLY 77 Ca 0.14 -1.60 0.07 0.00 0.00 0.00 0.00 46.02 44.63 3fwn n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwn h ALA 78 N 0.00 1.61 0.00 4.61 0.00 -2.00 -2.35 119.26 121.14 3fwn h ALA 78 Ca 0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3fwn h ALA 78 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3fwn h ALA 78 CO 0.00 0.20 -0.35 0.78 0.00 0.00 0.00 179.25 179.89 3fwn h GLY 79 N 0.57 0.00 1.33 0.00 0.00 -1.78 0.16 103.07 103.35 3fwn h GLY 79 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 3fwn h GLY 79 CO 0.02 0.00 -1.05 -0.91 0.00 0.00 0.00 176.54 174.60 3fwn h THR 80 N 0.00 1.32 -0.26 4.70 1.35 -1.15 -1.69 112.91 117.18 3fwn h THR 80 Ca -0.00 -2.36 -0.08 0.00 -0.55 0.00 0.00 66.41 63.41 3fwn h THR 80 Cb 0.72 2.45 -0.01 0.00 -1.73 0.00 0.00 68.15 69.58 3fwn h THR 80 CO 0.04 0.72 -0.20 0.44 -0.25 0.00 0.00 175.52 176.28 3fwn h ASP 81 N 0.32 0.46 -0.47 5.36 3.32 -1.36 -0.32 116.42 123.73 3fwn h ASP 81 Ca -0.12 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 56.75 3fwn h ASP 81 Cb 1.70 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 41.11 3fwn h ASP 81 CO 0.20 0.67 0.12 0.00 -1.72 0.00 0.00 179.24 178.51 3fwn h ALA 82 N 1.37 0.61 -0.30 3.45 0.00 -0.60 0.13 119.26 123.93 3fwn h ALA 82 Ca 0.07 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 3fwn h ALA 82 Cb 0.59 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3fwn h ALA 82 CO 0.04 0.29 -0.32 0.00 0.00 0.00 0.00 179.25 179.26 3fwn h ALA 83 N 0.99 0.88 0.64 0.00 0.00 -0.88 -2.16 119.26 118.73 3fwn h ALA 83 Ca 0.15 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3fwn h ALA 83 Cb 0.31 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.98 3fwn h ALA 83 CO -0.00 0.63 -0.31 0.82 0.00 0.00 0.00 179.25 180.39 3fwn h ILE 84 N 0.55 0.30 -0.66 0.00 2.04 -0.79 -2.69 117.51 116.26 3fwn h ILE 84 Ca 0.06 -0.19 0.19 0.00 1.00 0.00 0.00 64.86 65.93 3fwn h ILE 84 Cb 0.81 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 3fwn h ILE 84 CO 0.07 0.02 0.53 0.44 0.00 0.00 0.00 178.15 179.21 3fwn h ASP 85 N -1.00 0.00 1.46 1.72 3.32 -0.63 0.16 116.42 121.45 3fwn h ASP 85 Ca -0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3fwn h ASP 85 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 3fwn h ASP 85 CO 0.14 0.00 -0.26 0.77 -1.72 0.00 0.00 179.24 178.18 3fwn h SER 86 N 0.00 0.00 0.21 6.45 4.64 -1.17 -3.33 113.55 120.35 3fwn h SER 86 Ca 0.31 -0.04 -0.35 0.00 -0.47 0.00 0.00 61.79 61.24 3fwn h SER 86 Cb 1.37 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.43 3fwn h SER 86 CO -0.00 0.02 -1.91 -0.07 -0.87 0.00 0.00 176.83 173.99 3fwn h LEU 87 N 0.00 0.35 -0.95 5.97 3.38 -0.37 -3.42 115.31 120.26 3fwn h LEU 87 Ca 0.00 -0.76 0.10 0.00 0.09 0.00 0.00 57.88 57.31 3fwn h LEU 87 Cb 0.86 -0.11 -0.13 0.00 0.09 0.00 0.00 40.66 41.37 3fwn h LEU 87 CO 0.00 1.68 -0.55 0.11 0.09 0.00 0.00 178.44 179.77 3fwn h LYS 88 N 0.06 -0.03 -1.15 1.13 1.57 -1.51 -1.23 116.57 115.42 3fwn h LYS 88 Ca -0.39 0.00 0.33 0.00 -1.87 0.00 0.00 60.65 58.73 3fwn h LYS 88 Cb 2.03 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 34.31 3fwn h LYS 88 CO 0.09 -0.02 0.90 -1.00 -0.57 0.00 0.00 179.45 178.86 3fwn h PRO 89 N -0.03 0.00 0.00 3.15 0.13 -1.81 -0.27 132.00 133.17 3fwn h PRO 89 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 3fwn h PRO 89 Cb 0.46 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.59 3fwn h PRO 89 CO -0.92 0.00 -1.10 0.66 -0.23 0.00 0.00 178.00 176.41 3fwn n TYR 90 N -3.99 0.33 -2.16 1.56 4.01 -0.48 -4.97 117.16 111.47 3fwn n TYR 90 Ca 0.25 0.10 -0.33 0.00 -0.16 0.00 0.00 57.90 57.75 3fwn n TYR 90 Cb 1.28 -0.50 0.00 0.00 -0.31 0.00 0.00 39.34 39.81 3fwn n TYR 90 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3fwn s LEU 91 N -4.14 3.60 0.07 7.72 1.43 -0.11 -4.97 118.68 122.27 3fwn s LEU 91 Ca 0.02 1.91 0.05 0.00 -1.03 0.00 0.00 54.13 55.08 3fwn s LEU 91 Cb 0.14 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.77 3fwn s LEU 91 CO 0.81 -1.14 -0.04 -1.81 0.23 0.00 0.00 176.35 174.40 3fwn s ASP 92 N -2.44 4.80 0.17 2.29 1.01 -1.26 -5.04 116.67 116.20 3fwn s ASP 92 Ca 0.66 -0.21 -0.33 0.00 0.71 0.00 0.00 52.55 53.38 3fwn s ASP 92 Cb -0.18 -1.10 -0.15 0.00 1.01 0.00 0.00 42.92 42.51 3fwn s ASP 92 CO 0.32 0.21 1.36 1.17 0.21 0.00 0.00 175.17 178.43 3fwn n LYS 93 N 0.87 1.62 0.00 8.23 4.81 -1.26 -1.09 118.16 131.34 3fwn n LYS 93 Ca -0.13 0.58 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 3fwn n LYS 93 Cb 0.52 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 33.36 3fwn n LYS 93 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3fwn n GLY 94 N 2.45 3.25 3.70 3.14 0.00 0.29 -5.03 105.19 112.99 3fwn n GLY 94 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 3fwn n GLY 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fwn s ASP 95 N -1.11 3.29 -0.13 1.61 1.01 -0.25 -4.64 116.67 116.46 3fwn s ASP 95 Ca 0.00 2.11 0.01 0.00 0.71 0.00 0.00 52.55 55.37 3fwn s ASP 95 Cb 0.00 -2.56 0.02 0.00 1.01 0.00 0.00 42.92 41.39 3fwn s ASP 95 CO 0.00 -2.85 -0.14 -0.63 0.21 0.00 0.00 175.17 171.76 3fwn s ILE 96 N -2.71 1.48 -0.18 0.77 1.01 0.24 -1.17 121.20 120.63 3fwn s ILE 96 Ca 0.65 -0.60 -0.09 0.00 0.00 0.00 0.00 60.65 60.62 3fwn s ILE 96 Cb -0.21 -1.39 -0.05 0.00 0.01 0.00 0.00 42.46 40.82 3fwn s ILE 96 CO 0.57 0.44 0.12 -0.63 0.00 0.00 0.00 174.94 175.44 3fwn s ILE 97 N 1.32 5.30 -0.25 2.92 1.01 -0.84 -1.31 121.20 129.35 3fwn s ILE 97 Ca 0.01 0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.83 3fwn s ILE 97 Cb -0.14 -3.39 0.05 0.00 0.01 0.00 0.00 42.46 39.00 3fwn s ILE 97 CO -0.07 0.48 -0.12 -0.63 0.00 0.00 0.00 174.94 174.60 3fwn s ILE 98 N 0.08 2.17 -0.46 2.92 1.01 0.63 -0.48 121.20 127.07 3fwn s ILE 98 Ca 0.09 -1.54 -0.20 0.00 0.00 0.00 0.00 60.65 58.99 3fwn s ILE 98 Cb -0.11 -2.23 0.03 0.00 0.01 0.00 0.00 42.46 40.16 3fwn s ILE 98 CO -0.00 0.04 0.64 -0.62 0.00 0.00 0.00 174.94 175.00 3fwn s ASP 99 N 1.13 6.29 -0.12 3.58 2.15 0.78 0.18 116.67 130.67 3fwn s ASP 99 Ca -0.07 -0.48 0.19 0.00 0.43 0.00 0.00 52.55 52.61 3fwn s ASP 99 Cb -0.19 -2.31 0.74 0.00 -0.30 0.00 0.00 42.92 40.86 3fwn s ASP 99 CO -0.06 -0.82 1.65 0.61 -0.17 0.00 0.00 175.17 176.38 3fwn n GLY 100 N 5.08 2.74 3.76 2.66 0.00 -0.65 -0.49 105.19 118.29 3fwn n GLY 100 Ca -0.03 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.83 3fwn n GLY 100 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fwn s GLY 101 N -0.90 1.62 -1.21 -0.02 0.00 -1.26 -4.51 107.32 101.05 3fwn s GLY 101 Ca 0.52 -0.75 -0.09 0.00 0.00 0.00 0.00 44.72 44.40 3fwn s GLY 101 CO 0.25 -0.07 1.62 0.70 0.00 0.00 0.00 173.10 175.60 3fwn n ASN 102 N -4.04 5.41 -4.82 1.64 5.03 -1.26 -4.83 115.26 112.39 3fwn n ASN 102 Ca 0.10 -3.13 -0.38 0.00 0.87 0.00 0.00 54.58 52.04 3fwn n ASN 102 Cb 0.59 -1.45 -0.06 0.00 -1.02 0.00 0.00 39.78 37.84 3fwn n ASN 102 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3fwn s THR 103 N -0.06 5.10 0.16 3.41 2.01 -1.26 -4.83 115.64 120.17 3fwn s THR 103 Ca 0.38 0.78 -0.31 0.00 0.31 0.00 0.00 61.69 62.85 3fwn s THR 103 Cb 0.04 -3.69 -0.09 0.00 0.01 0.00 0.00 72.50 68.76 3fwn s THR 103 CO 0.01 0.54 1.48 0.12 -0.69 0.00 0.00 174.62 176.09 3fwn s PHE 104 N -0.78 3.12 0.55 4.92 5.36 -1.26 -4.86 117.98 125.03 3fwn s PHE 104 Ca 0.23 0.81 0.22 0.00 -0.96 0.00 0.00 56.93 57.23 3fwn s PHE 104 Cb -0.16 -3.82 1.48 0.00 -0.34 0.00 0.00 43.02 40.18 3fwn s PHE 104 CO 0.12 -2.93 2.16 0.27 -1.46 0.00 0.00 175.22 173.37 3fwn h PHE 105 N 6.46 0.00 0.00 10.12 -0.00 -1.88 -0.67 116.94 130.97 3fwn h PHE 105 Ca -0.43 0.00 -0.07 0.00 -0.00 0.00 0.00 57.97 57.47 3fwn h PHE 105 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.15 3fwn h PHE 105 CO 0.64 0.00 -0.31 1.96 -0.00 0.00 0.00 178.31 180.60 3fwn h GLN 106 N 0.00 0.00 -0.16 6.09 1.08 -1.93 -0.68 115.11 119.51 3fwn h GLN 106 Ca 0.04 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.06 3fwn h GLN 106 Cb 0.17 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.59 3fwn h GLN 106 CO -0.00 0.31 -0.62 -0.44 -0.95 0.00 0.00 178.83 177.13 3fwn h ASP 107 N 0.00 0.64 -0.33 1.46 3.32 -1.50 -1.70 116.42 118.31 3fwn h ASP 107 Ca -0.00 -0.37 -0.12 0.00 0.02 0.00 0.00 57.03 56.56 3fwn h ASP 107 Cb 0.63 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3fwn h ASP 107 CO 0.04 1.10 -0.22 0.74 -1.72 0.00 0.00 179.24 179.18 3fwn h THR 108 N 0.41 1.27 -0.39 0.35 2.02 -1.23 -0.21 112.91 115.13 3fwn h THR 108 Ca -0.01 -1.35 -0.00 0.00 0.77 0.00 0.00 66.41 65.82 3fwn h THR 108 Cb 1.19 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 68.78 3fwn h THR 108 CO 0.12 0.45 0.23 0.40 0.37 0.00 0.00 175.52 177.09 3fwn h ILE 109 N 0.71 1.13 0.05 3.11 2.04 -0.96 0.21 117.51 123.80 3fwn h ILE 109 Ca 0.10 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 3fwn h ILE 109 Cb 0.75 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 3fwn h ILE 109 CO 0.06 0.13 -0.02 -0.09 0.00 0.00 0.00 178.15 178.23 3fwn h ARG 110 N 0.50 -0.07 -0.58 2.37 2.43 -1.09 -1.80 114.38 116.14 3fwn h ARG 110 Ca 0.14 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 3fwn h ARG 110 Cb 0.01 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 3fwn h ARG 110 CO -0.03 0.09 0.25 0.00 -1.51 0.00 0.00 179.97 178.78 3fwn h ARG 111 N -0.21 0.86 -0.96 0.20 3.08 -0.91 0.11 114.38 116.55 3fwn h ARG 111 Ca -0.01 -0.14 0.02 0.00 0.07 0.00 0.00 59.98 59.92 3fwn h ARG 111 Cb 0.18 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.04 3fwn h ARG 111 CO 0.01 0.72 0.63 -0.97 -1.07 0.00 0.00 179.97 179.30 3fwn h ASN 112 N 0.80 1.07 -0.06 7.04 -0.73 -0.42 0.11 115.58 123.40 3fwn h ASN 112 Ca 0.20 -0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.33 3fwn h ASN 112 Cb 0.17 -0.26 -0.00 0.00 0.27 0.00 0.00 38.32 38.50 3fwn h ASN 112 CO -0.02 0.75 -0.03 -0.09 -0.37 0.00 0.00 177.43 177.67 3fwn h ARG 113 N 1.25 0.13 0.06 6.67 2.43 -0.77 -1.79 114.38 122.36 3fwn h ARG 113 Ca 0.37 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.48 3fwn h ARG 113 Cb -0.06 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3fwn h ARG 113 CO -0.10 0.52 -0.03 0.93 -1.51 0.00 0.00 179.97 179.78 3fwn h GLU 114 N -0.27 -0.08 -0.60 0.20 5.08 -0.65 -2.48 114.58 115.78 3fwn h GLU 114 Ca 0.01 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3fwn h GLU 114 Cb 0.49 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 3fwn h GLU 114 CO 0.01 -0.06 0.16 -0.07 -1.00 0.00 0.00 179.01 178.05 3fwn h LEU 115 N -0.09 0.87 -0.67 1.33 3.38 -1.03 -2.52 115.31 116.58 3fwn h LEU 115 Ca -0.01 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 3fwn h LEU 115 Cb 0.07 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3fwn h LEU 115 CO 0.01 0.84 0.40 -1.28 0.09 0.00 0.00 178.44 178.50 3fwn h SER 116 N 0.89 0.80 -0.53 -0.43 0.87 -1.12 0.16 113.55 114.19 3fwn h SER 116 Ca 0.20 -0.06 0.11 0.00 -1.23 0.00 0.00 61.79 60.81 3fwn h SER 116 Cb 0.30 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.03 3fwn h SER 116 CO -0.00 0.62 0.36 0.00 -0.53 0.00 0.00 176.83 177.28 3fwn h ALA 117 N 1.21 2.16 -0.24 6.23 0.00 -1.01 0.15 119.26 127.76 3fwn h ALA 117 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3fwn h ALA 117 Cb -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3fwn h ALA 117 CO -0.05 -0.29 0.00 0.39 0.00 0.00 0.00 179.25 179.30 3fwn n GLU 118 N -4.45 1.82 -0.91 0.00 1.02 -0.47 -4.92 120.64 112.72 3fwn n GLU 118 Ca 0.09 -1.25 0.00 0.00 -0.02 0.00 0.00 57.16 55.98 3fwn n GLU 118 Cb 0.42 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 3fwn n GLU 118 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fwn n GLY 119 N 1.15 0.48 3.56 0.62 0.00 0.52 -4.87 105.19 106.66 3fwn n GLY 119 Ca 0.15 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.26 3fwn n GLY 119 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fwn s PHE 120 N -2.00 2.80 0.39 1.61 2.99 0.44 -0.55 117.98 123.66 3fwn s PHE 120 Ca 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 56.93 56.78 3fwn s PHE 120 Cb 0.00 -1.55 -0.04 0.00 0.00 0.00 0.00 43.02 41.42 3fwn s PHE 120 CO 0.00 0.35 0.67 -0.80 -0.00 0.00 0.00 175.22 175.45 3fwn s ASN 121 N -1.54 6.36 -0.17 1.36 0.01 -0.32 -2.73 114.94 117.91 3fwn s ASN 121 Ca 0.17 0.80 -0.06 0.00 -0.71 0.00 0.00 52.86 53.06 3fwn s ASN 121 Cb -0.11 -2.19 0.08 0.00 0.41 0.00 0.00 41.25 39.44 3fwn s ASN 121 CO 0.08 -0.39 0.36 0.12 -1.51 0.00 0.00 177.10 175.76 3fwn s PHE 122 N -2.42 -0.64 -0.25 2.20 5.36 -1.26 -1.98 117.98 118.99 3fwn s PHE 122 Ca 0.45 1.29 -0.03 0.00 -0.96 0.00 0.00 56.93 57.69 3fwn s PHE 122 Cb -0.10 0.17 0.02 0.00 -0.34 0.00 0.00 43.02 42.77 3fwn s PHE 122 CO 0.37 -0.42 -0.04 0.42 -1.46 0.00 0.00 175.22 174.09 3fwn s ILE 123 N 2.41 3.12 -0.26 3.12 1.01 0.37 -4.10 121.20 126.86 3fwn s ILE 123 Ca -0.02 -0.87 -0.16 0.00 0.00 0.00 0.00 60.65 59.61 3fwn s ILE 123 Cb -0.12 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.77 3fwn s ILE 123 CO -0.11 0.23 0.43 -0.83 0.00 0.00 0.00 174.94 174.66 3fwn s GLY 124 N 1.38 1.88 -0.02 6.18 0.00 -0.07 -0.15 107.32 116.52 3fwn s GLY 124 Ca 0.02 -0.71 0.05 0.00 0.00 0.00 0.00 44.72 44.08 3fwn s GLY 124 CO -0.03 1.08 -0.18 -1.08 0.00 0.00 0.00 173.10 172.88 3fwn s THR 125 N 2.12 1.43 0.39 0.90 -1.32 0.35 -1.42 115.64 118.10 3fwn s THR 125 Ca 0.18 -0.76 -0.17 0.00 -1.21 0.00 0.00 61.69 59.72 3fwn s THR 125 Cb -0.16 -1.20 -0.10 0.00 -1.51 0.00 0.00 72.50 69.54 3fwn s THR 125 CO 0.09 0.41 0.85 -0.83 -2.21 0.00 0.00 174.62 172.93 3fwn s GLY 126 N -0.32 2.32 -0.09 6.08 0.00 -0.10 -4.13 107.32 111.07 3fwn s GLY 126 Ca 0.05 0.19 -0.01 0.00 0.00 0.00 0.00 44.72 44.95 3fwn s GLY 126 CO -0.00 0.43 -0.03 0.14 0.00 0.00 0.00 173.10 173.64 3fwn s VAL 127 N -2.14 0.64 -0.02 1.40 1.01 -1.26 -1.19 120.40 118.85 3fwn s VAL 127 Ca 0.58 -0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.57 3fwn s VAL 127 Cb -0.10 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.53 3fwn s VAL 127 CO 0.17 0.30 -0.19 -0.55 0.00 0.00 0.00 175.10 174.83 3fwn s SER 128 N 1.87 2.25 0.00 3.32 0.15 0.01 -4.83 113.70 116.46 3fwn s SER 128 Ca 0.05 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.35 3fwn s SER 128 Cb -0.12 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 63.91 3fwn s SER 128 CO -0.06 0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.22 3fwn n GLY 129 N 2.64 -0.00 7.00 9.45 0.00 -1.24 -0.99 105.19 122.05 3fwn n GLY 129 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3fwn n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fwn n GLY 130 N 0.00 -1.62 0.22 -0.02 0.00 -1.26 -2.35 105.19 100.16 3fwn n GLY 130 Ca 0.00 -1.28 -0.07 0.00 0.00 0.00 0.00 46.02 44.66 3fwn n GLY 130 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3fwn h GLU 131 N 0.00 0.72 -0.20 1.61 5.08 -2.00 -0.13 114.58 119.67 3fwn h GLU 131 Ca 0.00 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3fwn h GLU 131 Cb 0.00 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3fwn h GLU 131 CO 0.00 0.57 0.09 1.49 -1.00 0.00 0.00 179.01 180.16 3fwn h GLU 132 N 0.69 0.30 -0.84 2.33 4.57 -2.00 -2.91 114.58 116.71 3fwn h GLU 132 Ca 0.18 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.30 3fwn h GLU 132 Cb 0.06 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.56 3fwn h GLU 132 CO -0.03 0.34 0.46 0.78 -1.18 0.00 0.00 179.01 179.39 3fwn h GLY 133 N 0.18 1.25 1.78 1.92 0.00 -1.30 0.49 103.07 107.38 3fwn h GLY 133 Ca 0.07 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.83 3fwn h GLY 133 CO -0.01 0.54 0.11 0.00 0.00 0.00 0.00 176.54 177.19 3fwn h ALA 134 N 1.25 1.79 0.18 3.60 0.00 -0.88 0.19 119.26 125.39 3fwn h ALA 134 Ca 0.30 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.89 3fwn h ALA 134 Cb 0.02 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.75 3fwn h ALA 134 CO -0.05 0.18 -1.24 1.25 0.00 0.00 0.00 179.25 179.39 3fwn h LEU 135 N 0.30 0.60 0.00 0.00 5.85 -1.13 -3.37 115.31 117.57 3fwn h LEU 135 Ca 0.08 -0.93 -0.12 0.00 0.84 0.00 0.00 57.88 57.76 3fwn h LEU 135 Cb 0.02 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3fwn h LEU 135 CO -0.01 1.58 -2.11 0.29 -0.34 0.00 0.00 178.44 177.85 3fwn n LYS 136 N -3.90 0.68 0.00 1.25 5.02 0.07 -4.32 118.16 116.97 3fwn n LYS 136 Ca -0.18 -0.14 0.00 0.00 -2.02 0.00 0.00 58.31 55.97 3fwn n LYS 136 Cb 0.96 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 34.46 3fwn n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fwn n GLY 137 N 1.43 0.31 4.02 0.72 0.00 0.59 -4.78 105.19 107.48 3fwn n GLY 137 Ca -0.13 0.54 -0.18 0.00 0.00 0.00 0.00 46.02 46.25 3fwn n GLY 137 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3fwn s PRO 138 N 0.00 2.61 -0.08 1.61 0.04 -0.71 -3.76 135.00 134.71 3fwn s PRO 138 Ca 0.00 -1.41 -0.18 0.00 0.04 0.00 0.00 61.00 59.45 3fwn s PRO 138 Cb 0.00 -2.71 -0.05 0.00 0.04 0.00 0.00 34.50 31.78 3fwn s PRO 138 CO 0.00 -0.52 0.49 0.45 0.04 0.00 0.00 177.00 177.46 3fwn s SER 139 N -4.48 6.76 -0.11 6.66 0.15 -0.16 -1.01 113.70 121.50 3fwn s SER 139 Ca 0.58 0.90 0.03 0.00 0.70 0.00 0.00 55.95 58.17 3fwn s SER 139 Cb -0.08 -2.30 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 3fwn s SER 139 CO 0.36 0.07 -0.23 -0.63 1.20 0.00 0.00 173.24 174.01 3fwn s ILE 140 N 0.20 2.11 -0.59 6.45 1.01 -0.27 -0.81 121.20 129.30 3fwn s ILE 140 Ca 0.27 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 59.97 3fwn s ILE 140 Cb -0.16 -1.82 0.17 0.00 0.01 0.00 0.00 42.46 40.66 3fwn s ILE 140 CO 0.12 0.56 0.42 -0.04 0.00 0.00 0.00 174.94 175.99 3fwn s MET 141 N 0.47 1.87 0.01 2.79 -1.94 -0.33 -3.84 119.30 118.32 3fwn s MET 141 Ca -0.15 -2.83 -0.17 0.00 -1.71 0.00 0.00 55.69 50.83 3fwn s MET 141 Cb -0.17 -2.70 -0.06 0.00 2.01 0.00 0.00 34.83 33.91 3fwn s MET 141 CO 0.06 -1.30 0.48 -1.25 -0.01 0.00 0.00 175.02 173.00 3fwn s PRO 142 N -0.80 4.09 0.06 2.03 0.04 -1.26 -0.92 135.00 138.24 3fwn s PRO 142 Ca 0.26 0.54 0.04 0.00 0.04 0.00 0.00 61.00 61.89 3fwn s PRO 142 Cb -0.04 -3.26 -0.03 0.00 0.04 0.00 0.00 34.50 31.21 3fwn s PRO 142 CO -0.16 0.58 -0.12 0.20 0.04 0.00 0.00 177.00 177.55 3fwn s GLY 143 N -0.80 0.75 0.00 0.56 0.00 -0.50 -1.15 107.32 106.17 3fwn s GLY 143 Ca 0.26 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 44.07 3fwn s GLY 143 CO 0.15 -0.94 0.00 0.61 0.00 0.00 0.00 173.10 172.92 3fwn n GLY 144 N 1.40 0.08 3.70 0.20 0.00 -0.29 -0.89 105.19 109.39 3fwn n GLY 144 Ca -0.21 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 3fwn n GLY 144 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fwn s GLN 145 N -2.00 4.26 0.30 1.61 1.11 -1.26 -3.97 119.66 119.71 3fwn s GLN 145 Ca 0.00 2.15 -0.02 0.00 0.01 0.00 0.00 55.36 57.50 3fwn s GLN 145 Cb 0.00 -3.44 0.45 0.00 -1.01 0.00 0.00 33.01 29.02 3fwn s GLN 145 CO 0.00 -0.59 1.97 -0.22 0.01 0.00 0.00 175.29 176.46 3fwn h LYS 146 N 7.57 1.07 -0.59 2.91 3.64 -1.98 -0.97 116.57 128.22 3fwn h LYS 146 Ca -0.41 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 58.84 3fwn h LYS 146 Cb 1.20 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.75 3fwn h LYS 146 CO 0.90 0.71 0.12 0.93 -2.27 0.00 0.00 179.45 179.84 3fwn h GLU 147 N 1.11 0.93 -0.26 1.90 3.07 -1.99 0.82 114.58 120.16 3fwn h GLU 147 Ca 0.30 -0.21 -0.06 0.00 -0.50 0.00 0.00 59.36 58.89 3fwn h GLU 147 Cb -0.12 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.66 3fwn h GLU 147 CO -0.07 0.85 -0.08 0.00 -1.40 0.00 0.00 179.01 178.31 3fwn h ALA 148 N 1.24 0.35 -0.44 3.43 0.00 -1.82 -2.02 119.26 120.00 3fwn h ALA 148 Ca 0.19 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.87 3fwn h ALA 148 Cb 0.36 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3fwn h ALA 148 CO 0.00 0.18 0.16 -0.92 0.00 0.00 0.00 179.25 178.68 3fwn h TYR 149 N 0.25 0.29 -0.11 0.00 3.20 -0.78 -2.27 116.97 117.54 3fwn h TYR 149 Ca 0.06 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 3fwn h TYR 149 Cb 0.56 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 3fwn h TYR 149 CO 0.05 0.11 -0.12 0.93 -1.64 0.00 0.00 178.16 177.49 3fwn h GLU 150 N 0.34 0.18 -0.38 1.82 5.08 -0.65 0.29 114.58 121.26 3fwn h GLU 150 Ca 0.21 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 3fwn h GLU 150 Cb 0.19 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3fwn h GLU 150 CO -0.21 0.31 0.15 1.25 -1.00 0.00 0.00 179.01 179.51 3fwn h LEU 151 N 0.17 0.52 -0.03 1.33 5.85 -0.83 -3.15 115.31 119.17 3fwn h LEU 151 Ca 0.04 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3fwn h LEU 151 Cb 0.33 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3fwn h LEU 151 CO 0.02 0.55 -0.41 0.55 -0.34 0.00 0.00 178.44 178.81 3fwn n VAL 152 N -4.66 0.00 0.09 1.05 3.14 -0.91 -4.33 118.33 112.71 3fwn n VAL 152 Ca -0.01 -0.01 0.17 0.00 -2.96 0.00 0.00 64.34 61.54 3fwn n VAL 152 Cb 0.14 0.15 0.71 0.00 -1.06 0.00 0.00 33.84 33.78 3fwn n VAL 152 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3fwn h ALA 153 N 3.05 2.27 -0.91 1.55 0.00 -0.39 -1.60 119.26 123.23 3fwn h ALA 153 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fwn h ALA 153 Cb 0.50 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3fwn h ALA 153 CO 0.00 -0.46 0.58 -1.35 0.00 0.00 0.00 179.25 178.02 3fwn h PRO 154 N 0.00 1.22 -0.01 0.00 0.11 -1.77 0.73 132.00 132.29 3fwn h PRO 154 Ca 0.17 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 3fwn h PRO 154 Cb 0.72 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 31.56 3fwn h PRO 154 CO -0.00 0.83 -0.03 0.82 -0.21 0.00 0.00 178.00 179.40 3fwn h ILE 155 N 1.25 1.54 -0.42 4.15 2.04 -1.63 -3.11 117.51 121.32 3fwn h ILE 155 Ca 0.33 -1.62 0.00 0.00 1.00 0.00 0.00 64.86 64.57 3fwn h ILE 155 Cb -0.10 2.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.57 3fwn h ILE 155 CO -0.07 0.43 0.28 -0.07 0.00 0.00 0.00 178.15 178.72 3fwn h LEU 156 N -0.64 0.49 -1.10 1.44 3.38 -1.26 -1.79 115.31 115.83 3fwn h LEU 156 Ca -0.00 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3fwn h LEU 156 Cb 0.71 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3fwn h LEU 156 CO 0.01 0.35 -0.37 0.71 0.09 0.00 0.00 178.44 179.23 3fwn h THR 157 N 0.57 1.00 0.00 0.22 1.35 -0.91 -2.53 112.91 112.61 3fwn h THR 157 Ca 0.15 -1.43 -0.09 0.00 -0.55 0.00 0.00 66.41 64.50 3fwn h THR 157 Cb -0.06 1.83 -0.01 0.00 -1.73 0.00 0.00 68.15 68.18 3fwn h THR 157 CO -0.03 0.37 -0.42 0.11 -0.25 0.00 0.00 175.52 175.30 3fwn h LYS 158 N 0.00 0.00 0.00 4.72 1.57 -1.26 -3.26 116.57 118.34 3fwn h LYS 158 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fwn h LYS 158 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 3fwn h LYS 158 CO 0.05 0.42 -0.82 0.44 -0.57 0.00 0.00 179.45 178.97 3fwn n ILE 159 N -3.22 0.05 -1.93 1.86 -5.35 -0.99 -4.97 119.36 104.80 3fwn n ILE 159 Ca 0.02 -0.08 -0.32 0.00 -0.27 0.00 0.00 62.75 62.11 3fwn n ILE 159 Cb 0.69 0.46 0.01 0.00 -1.74 0.00 0.00 39.64 39.07 3fwn n ILE 159 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3fwn s ALA 160 N -3.06 2.85 0.91 -1.28 0.00 -0.97 -3.87 121.76 116.34 3fwn s ALA 160 Ca 0.08 0.16 -0.10 0.00 0.00 0.00 0.00 51.96 52.10 3fwn s ALA 160 Cb 0.16 -3.16 0.14 0.00 0.00 0.00 0.00 23.12 20.26 3fwn s ALA 160 CO 0.78 -0.80 1.12 0.00 0.00 0.00 0.00 175.76 176.86 3fwn s ALA 161 N -2.81 1.44 -0.06 0.00 0.00 -0.18 -4.71 121.76 115.44 3fwn s ALA 161 Ca 0.59 0.44 0.05 0.00 0.00 0.00 0.00 51.96 53.04 3fwn s ALA 161 Cb -0.13 -3.39 -0.00 0.00 0.00 0.00 0.00 23.12 19.59 3fwn s ALA 161 CO 0.45 -2.67 -0.21 0.08 0.00 0.00 0.00 175.76 173.41 3fwn s VAL 162 N -2.69 1.73 0.98 0.00 1.01 -1.26 0.01 120.40 120.18 3fwn s VAL 162 Ca 0.66 -0.87 -0.15 0.00 0.00 0.00 0.00 61.98 61.62 3fwn s VAL 162 Cb -0.22 -1.49 0.18 0.00 0.00 0.00 0.00 36.38 34.85 3fwn s VAL 162 CO 0.58 0.49 1.18 0.00 0.00 0.00 0.00 175.10 177.35 3fwn s ALA 163 N 0.11 1.70 0.55 5.51 0.00 -0.13 -4.88 121.76 124.63 3fwn s ALA 163 Ca -0.08 -0.78 0.33 0.00 0.00 0.00 0.00 51.96 51.42 3fwn s ALA 163 Cb -0.14 -2.94 1.86 0.00 0.00 0.00 0.00 23.12 21.90 3fwn s ALA 163 CO 0.04 -2.55 2.23 0.93 0.00 0.00 0.00 175.76 176.42 3fwn h GLU 164 N -1.72 0.00 -0.29 0.00 4.39 -1.91 -1.74 114.58 113.31 3fwn h GLU 164 Ca -0.48 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.22 3fwn h GLU 164 Cb 1.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 3fwn h GLU 164 CO 0.51 0.03 0.00 -0.40 -1.16 0.00 0.00 179.01 177.99 3fwn n ASP 165 N -3.62 1.58 0.00 1.42 3.85 -1.26 -4.90 116.55 113.62 3fwn n ASP 165 Ca -0.03 -1.97 0.00 0.00 -0.71 0.00 0.00 54.79 52.08 3fwn n ASP 165 Cb 0.12 -0.19 0.00 0.00 -1.35 0.00 0.00 41.12 39.70 3fwn n ASP 165 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3fwn n GLY 166 N 0.98 1.27 3.73 6.12 0.00 -0.65 -5.04 105.19 111.61 3fwn n GLY 166 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3fwn n GLY 166 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fwn s GLU 167 N -0.18 4.48 0.38 1.61 2.02 -1.26 -4.75 118.70 120.99 3fwn s GLU 167 Ca 0.00 1.03 -0.28 0.00 0.02 0.00 0.00 54.97 55.74 3fwn s GLU 167 Cb 0.00 -3.40 -0.10 0.00 0.10 0.00 0.00 34.13 30.73 3fwn s GLU 167 CO 0.00 0.18 1.38 -1.25 0.02 0.00 0.00 175.26 175.60 3fwn s PRO 168 N 0.32 4.12 -1.45 0.39 0.04 -1.26 -0.95 135.00 136.20 3fwn s PRO 168 Ca 0.39 2.35 -0.08 0.00 0.04 0.00 0.00 61.00 63.70 3fwn s PRO 168 Cb -0.20 -2.93 0.03 0.00 0.04 0.00 0.00 34.50 31.45 3fwn s PRO 168 CO 0.22 -0.44 2.58 0.00 0.04 0.00 0.00 177.00 179.40 3fwn s VAL 170 N 0.55 -0.00 0.09 0.00 0.11 -1.26 -1.12 120.40 118.77 3fwn s VAL 170 Ca 0.59 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 59.42 3fwn s VAL 170 Cb 0.17 -0.59 0.06 0.00 -1.53 0.00 0.00 36.38 34.50 3fwn s VAL 170 CO -0.07 0.00 0.55 0.28 -3.33 0.00 0.00 175.10 172.52 3fwn s THR 171 N 0.24 0.02 -0.09 5.04 -1.32 -1.25 -5.02 115.64 113.26 3fwn s THR 171 Ca -0.00 -0.18 -0.29 0.00 -1.21 0.00 0.00 61.69 60.00 3fwn s THR 171 Cb -0.03 -1.01 -0.05 0.00 -1.51 0.00 0.00 72.50 69.90 3fwn s THR 171 CO 0.00 -0.10 1.63 -0.47 -2.21 0.00 0.00 174.62 173.48 3fwn s TYR 172 N -2.96 2.04 -0.07 9.09 5.04 -1.26 -4.17 117.35 125.06 3fwn s TYR 172 Ca -0.03 0.31 -0.20 0.00 -2.44 0.00 0.00 57.07 54.72 3fwn s TYR 172 Cb -0.00 -3.90 -0.30 0.00 0.35 0.00 0.00 41.96 38.10 3fwn s TYR 172 CO -0.06 -3.56 0.79 0.82 -1.34 0.00 0.00 175.55 172.21 3fwn h ILE 173 N 5.70 1.37 0.00 3.14 1.08 -1.50 -3.49 117.51 123.82 3fwn h ILE 173 Ca -0.37 -2.50 0.00 0.00 -0.39 0.00 0.00 64.86 61.60 3fwn h ILE 173 Cb 1.17 3.05 0.00 0.00 -3.07 0.00 0.00 36.82 37.97 3fwn h ILE 173 CO 0.96 0.71 0.00 0.61 -0.69 0.00 0.00 178.15 179.74 3fwn n GLY 174 N 1.68 -1.94 3.81 5.37 0.00 -1.25 -4.63 105.19 108.22 3fwn n GLY 174 Ca -0.17 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.34 3fwn n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwn s ALA 175 N -1.45 2.22 0.00 4.61 0.00 -1.26 -1.14 121.76 124.75 3fwn s ALA 175 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.67 3fwn s ALA 175 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 20.04 3fwn s ALA 175 CO 0.00 -1.79 0.00 -0.40 0.00 0.00 0.00 175.76 173.57 3fwn n ASP 176 N -3.46 0.00 -0.56 0.00 5.75 -1.25 -1.31 116.55 115.71 3fwn n ASP 176 Ca 0.07 0.00 0.04 0.00 -0.01 0.00 0.00 54.79 54.89 3fwn n ASP 176 Cb 0.57 0.00 0.12 0.00 -1.03 0.00 0.00 41.12 40.78 3fwn n ASP 176 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fwn n GLY 177 N 0.00 0.49 0.37 6.12 0.00 -1.26 -3.20 105.19 107.71 3fwn n GLY 177 Ca 0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 46.02 45.72 3fwn n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwn h ALA 178 N 3.39 1.37 -0.20 4.61 0.00 -1.45 -0.84 119.26 126.13 3fwn h ALA 178 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3fwn h ALA 178 Cb 0.45 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3fwn h ALA 178 CO 0.02 0.56 0.08 0.78 0.00 0.00 0.00 179.25 180.70 3fwn h GLY 179 N 1.22 0.32 2.00 0.00 0.00 -1.75 -0.99 103.07 103.87 3fwn h GLY 179 Ca 0.35 -0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.43 3fwn h GLY 179 CO -0.09 0.17 -0.38 0.45 0.00 0.00 0.00 176.54 176.68 3fwn h HIS 180 N 0.17 0.00 -0.30 5.60 3.86 -1.61 -0.92 115.15 121.96 3fwn h HIS 180 Ca 0.07 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.21 3fwn h HIS 180 Cb 0.18 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 3fwn h HIS 180 CO -0.01 0.38 -0.06 -0.92 0.86 0.00 0.00 177.93 178.18 3fwn h TYR 181 N 0.00 0.63 -0.31 2.45 3.20 -0.93 -1.72 116.97 120.29 3fwn h TYR 181 Ca -0.00 -0.13 -0.10 0.00 3.14 0.00 0.00 58.73 61.64 3fwn h TYR 181 Cb 0.69 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 3fwn h TYR 181 CO 0.00 0.75 -0.21 0.28 -1.64 0.00 0.00 178.16 177.34 3fwn h VAL 182 N 0.33 1.26 -0.51 1.81 2.07 -0.86 -1.25 116.25 119.11 3fwn h VAL 182 Ca 0.08 -1.24 -0.08 0.00 0.82 0.00 0.00 66.70 66.28 3fwn h VAL 182 Cb 0.54 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 3fwn h VAL 182 CO 0.03 0.40 -0.02 0.50 0.02 0.00 0.00 177.57 178.49 3fwn h LYS 183 N 0.51 0.87 -0.12 1.57 1.63 -1.05 0.46 116.57 120.44 3fwn h LYS 183 Ca 0.08 -0.26 0.01 0.00 -0.85 0.00 0.00 60.65 59.63 3fwn h LYS 183 Cb 0.65 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.17 3fwn h LYS 183 CO 0.05 0.88 0.03 1.98 -3.45 0.00 0.00 179.45 178.94 3fwn h MET 184 N 0.80 0.08 -0.72 1.90 4.05 -0.71 -1.16 114.93 119.17 3fwn h MET 184 Ca 0.15 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.51 3fwn h MET 184 Cb 0.51 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.26 3fwn h MET 184 CO 0.03 0.06 0.24 0.28 0.23 0.00 0.00 176.91 177.74 3fwn h VAL 185 N 0.09 1.26 -0.44 -5.77 2.07 -0.89 0.35 116.25 112.91 3fwn h VAL 185 Ca 0.05 -0.87 0.08 0.00 0.82 0.00 0.00 66.70 66.78 3fwn h VAL 185 Cb 0.04 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 30.19 3fwn h VAL 185 CO -0.06 0.34 0.05 -0.74 0.02 0.00 0.00 177.57 177.18 3fwn h HIS 186 N 1.07 0.07 -0.28 1.57 6.17 -0.55 0.14 115.15 123.33 3fwn h HIS 186 Ca 0.24 0.03 -0.09 0.00 0.71 0.00 0.00 60.37 61.26 3fwn h HIS 186 Cb 0.28 0.04 -0.01 0.00 2.52 0.00 0.00 27.41 30.23 3fwn h HIS 186 CO 0.02 -0.04 -0.19 -0.91 0.71 0.00 0.00 177.93 177.53 3fwn h ASN 187 N 0.17 0.50 -0.42 3.26 4.21 0.01 0.20 115.58 123.51 3fwn h ASN 187 Ca 0.22 -0.15 -0.04 0.00 1.21 0.00 0.00 56.30 57.54 3fwn h ASN 187 Cb 0.30 -0.14 -0.02 0.00 -1.12 0.00 0.00 38.32 37.35 3fwn h ASN 187 CO -0.32 0.71 0.09 1.23 -1.29 0.00 0.00 177.43 177.85 3fwn h GLY 188 N 0.98 0.73 0.91 2.83 0.00 -0.25 -0.54 103.07 107.72 3fwn h GLY 188 Ca 0.08 -0.46 0.03 0.00 0.00 0.00 0.00 47.33 46.97 3fwn h GLY 188 CO 0.04 0.43 0.56 -2.22 0.00 0.00 0.00 176.54 175.35 3fwn h ILE 189 N 0.54 1.16 -0.60 2.60 2.04 -0.41 -1.47 117.51 121.38 3fwn h ILE 189 Ca 0.13 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.61 3fwn h ILE 189 Cb 0.33 -0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.34 3fwn h ILE 189 CO 0.00 0.20 0.38 -0.08 0.00 0.00 0.00 178.15 178.65 3fwn h GLU 190 N 1.11 0.79 -0.85 2.37 4.81 -0.54 0.06 114.58 122.33 3fwn h GLU 190 Ca 0.34 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.56 3fwn h GLU 190 Cb -0.03 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.12 3fwn h GLU 190 CO -0.11 0.55 0.53 1.88 -0.73 0.00 0.00 179.01 181.13 3fwn h TYR 191 N 0.81 1.00 -0.43 0.92 -1.99 -0.35 -1.42 116.97 115.51 3fwn h TYR 191 Ca 0.22 0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.93 3fwn h TYR 191 Cb -0.06 -0.33 -0.02 0.00 2.00 0.00 0.00 36.73 38.33 3fwn h TYR 191 CO -0.03 0.54 0.08 0.78 -0.00 0.00 0.00 178.16 179.54 3fwn h GLY 192 N 1.01 0.75 1.21 3.88 0.00 -0.40 -1.17 103.07 108.36 3fwn h GLY 192 Ca 0.35 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 3fwn h GLY 192 CO -0.14 0.46 0.21 -0.55 0.00 0.00 0.00 176.54 176.52 3fwn h ASP 193 N 0.56 0.92 -0.37 0.19 3.32 -0.60 -0.26 116.42 120.19 3fwn h ASP 193 Ca 0.13 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 3fwn h ASP 193 Cb 0.35 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3fwn h ASP 193 CO 0.01 0.86 -0.12 0.24 -1.72 0.00 0.00 179.24 178.50 3fwn h MET 194 N 0.96 0.73 -0.42 3.56 2.86 -1.15 -1.11 114.93 120.35 3fwn h MET 194 Ca 0.22 -0.29 -0.11 0.00 -2.06 0.00 0.00 59.70 57.46 3fwn h MET 194 Cb 0.26 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 3fwn h MET 194 CO -0.01 0.89 -0.17 0.37 1.06 0.00 0.00 176.91 179.05 3fwn h GLN 195 N 0.52 0.80 -0.44 1.72 5.75 -0.92 0.57 115.11 123.11 3fwn h GLN 195 Ca 0.09 -0.30 -0.01 0.00 -0.15 0.00 0.00 58.65 58.28 3fwn h GLN 195 Cb 0.64 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.12 3fwn h GLN 195 CO 0.04 0.91 0.23 -0.07 -2.65 0.00 0.00 178.83 177.29 3fwn h LEU 196 N 0.71 0.56 -1.00 -2.39 3.38 -0.90 -0.34 115.31 115.33 3fwn h LEU 196 Ca 0.11 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3fwn h LEU 196 Cb 0.67 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 3fwn h LEU 196 CO 0.05 0.51 0.43 0.40 0.09 0.00 0.00 178.44 179.92 3fwn h ILE 197 N 0.57 1.24 -0.76 1.22 2.04 -1.01 -1.44 117.51 119.37 3fwn h ILE 197 Ca 0.15 -0.62 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 3fwn h ILE 197 Cb 0.09 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.30 3fwn h ILE 197 CO -0.02 0.28 0.31 0.00 0.00 0.00 0.00 178.15 178.71 3fwn h ALA 198 N 1.33 1.11 -0.54 1.87 0.00 -0.37 0.07 119.26 122.74 3fwn h ALA 198 Ca 0.28 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3fwn h ALA 198 Cb 0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3fwn h ALA 198 CO -0.04 0.64 -0.05 0.93 0.00 0.00 0.00 179.25 180.73 3fwn h GLU 199 N 1.10 0.99 -0.59 0.00 5.08 -0.69 -0.03 114.58 120.44 3fwn h GLU 199 Ca 0.25 -0.34 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3fwn h GLU 199 Cb 0.20 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 3fwn h GLU 199 CO -0.02 1.01 0.39 0.00 -1.00 0.00 0.00 179.01 179.39 3fwn h ALA 200 N 0.94 0.75 -0.27 3.43 0.00 -0.75 -0.46 119.26 122.90 3fwn h ALA 200 Ca 0.15 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3fwn h ALA 200 Cb 0.60 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3fwn h ALA 200 CO 0.04 0.17 0.12 -0.92 0.00 0.00 0.00 179.25 178.66 3fwn h TYR 201 N 0.79 0.21 -0.55 0.00 3.20 -0.74 0.04 116.97 119.92 3fwn h TYR 201 Ca 0.22 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.20 3fwn h TYR 201 Cb -0.08 -0.06 -0.08 0.00 1.54 0.00 0.00 36.73 38.05 3fwn h TYR 201 CO -0.04 0.11 0.09 0.77 -1.64 0.00 0.00 178.16 177.45 3fwn h SER 202 N 0.25 -0.06 -0.15 -2.11 0.02 -0.45 -0.69 113.55 110.36 3fwn h SER 202 Ca 0.11 0.11 -0.11 0.00 -0.84 0.00 0.00 61.79 61.06 3fwn h SER 202 Cb 0.06 0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.76 3fwn h SER 202 CO -0.10 -0.01 -0.34 -0.07 -1.14 0.00 0.00 176.83 175.17 3fwn h LEU 203 N 0.22 0.56 -0.71 5.07 3.38 -0.87 0.17 115.31 123.13 3fwn h LEU 203 Ca 0.29 -0.57 -0.11 0.00 0.09 0.00 0.00 57.88 57.58 3fwn h LEU 203 Cb 0.42 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3fwn h LEU 203 CO -0.39 1.03 -0.17 -0.07 0.09 0.00 0.00 178.44 178.92 3fwn h LEU 204 N 0.13 0.82 -0.01 1.67 3.38 -0.76 0.31 115.31 120.84 3fwn h LEU 204 Ca 0.00 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 3fwn h LEU 204 Cb 0.94 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.48 3fwn h LEU 204 CO 0.08 0.98 -0.28 0.50 0.09 0.00 0.00 178.44 179.81 3fwn h LYS 205 N 0.72 0.22 0.00 1.13 3.64 -1.15 -2.15 116.57 118.98 3fwn h LYS 205 Ca 0.11 -0.21 -0.21 0.00 -1.27 0.00 0.00 60.65 59.06 3fwn h LYS 205 Cb 0.68 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.53 3fwn h LYS 205 CO 0.05 0.92 -1.03 0.78 -2.27 0.00 0.00 179.45 177.90 3fwn h GLY 206 N -0.41 0.00 0.57 5.01 0.00 -0.70 -1.51 103.07 106.04 3fwn h GLY 206 Ca -0.03 -0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.95 3fwn h GLY 206 CO 0.06 0.00 -1.86 -1.33 0.00 0.00 0.00 176.54 173.41 3fwn h GLY 207 N 3.02 0.29 -0.84 4.60 0.00 -0.51 -3.40 103.07 106.22 3fwn h GLY 207 Ca -0.02 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.58 3fwn h GLY 207 CO 0.13 0.64 -0.27 1.04 0.00 0.00 0.00 176.54 178.08 3fwn n LEU 208 N -3.63 1.76 -3.87 3.11 4.77 -0.84 -4.58 117.00 113.73 3fwn n LEU 208 Ca -0.31 -0.81 -0.28 0.00 -0.03 0.00 0.00 56.01 54.58 3fwn n LEU 208 Cb 1.00 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 42.12 3fwn n LEU 208 CO 0.41 0.33 0.07 0.59 -1.33 0.00 0.00 177.39 177.47 3fwn n ASN 209 N 0.08 -4.10 -4.77 -1.43 3.02 -0.57 -4.94 115.26 102.55 3fwn n ASN 209 Ca 0.07 -0.79 -0.38 0.00 -0.03 0.00 0.00 54.58 53.45 3fwn n ASN 209 Cb 0.35 -3.93 -0.02 0.00 -0.61 0.00 0.00 39.78 35.58 3fwn n ASN 209 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fwn s LEU 210 N -7.17 4.17 0.80 3.41 1.43 -1.04 -4.99 118.68 115.29 3fwn s LEU 210 Ca 0.53 2.37 -0.12 0.00 -1.03 0.00 0.00 54.13 55.88 3fwn s LEU 210 Cb -0.26 -4.05 0.07 0.00 0.03 0.00 0.00 46.19 41.98 3fwn s LEU 210 CO 0.83 -0.73 1.15 0.42 0.23 0.00 0.00 176.35 178.25 3fwn s THR 211 N -1.42 2.37 0.36 5.49 -4.23 -1.26 -4.67 115.64 112.27 3fwn s THR 211 Ca 0.58 0.12 0.03 0.00 -1.18 0.00 0.00 61.69 61.24 3fwn s THR 211 Cb -0.31 -3.08 0.24 0.00 1.34 0.00 0.00 72.50 70.68 3fwn s THR 211 CO 0.39 -0.16 1.98 0.78 -0.54 0.00 0.00 174.62 177.08 3fwn h ASN 212 N -1.02 0.63 -0.64 3.99 2.35 -1.96 0.12 115.58 119.06 3fwn h ASN 212 Ca -0.46 -0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.17 3fwn h ASN 212 Cb 1.31 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.50 3fwn h ASN 212 CO 0.65 0.51 0.09 -0.33 -1.65 0.00 0.00 177.43 176.70 3fwn h GLU 213 N 0.72 1.07 -0.14 0.81 4.39 -1.93 -0.12 114.58 119.38 3fwn h GLU 213 Ca 0.19 -0.30 -0.09 0.00 0.34 0.00 0.00 59.36 59.50 3fwn h GLU 213 Cb 0.02 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 3fwn h GLU 213 CO -0.03 1.00 -0.31 0.93 -1.16 0.00 0.00 179.01 179.44 3fwn h GLU 214 N 0.98 0.27 -0.27 2.33 5.08 -1.66 -1.50 114.58 119.82 3fwn h GLU 214 Ca 0.19 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 3fwn h GLU 214 Cb 0.46 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3fwn h GLU 214 CO 0.02 0.56 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.49 3fwn h LEU 215 N 0.24 0.50 -0.76 1.33 3.38 -0.37 -0.58 115.31 119.05 3fwn h LEU 215 Ca 0.03 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3fwn h LEU 215 Cb 0.67 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 3fwn h LEU 215 CO 0.05 0.71 0.45 0.00 0.09 0.00 0.00 178.44 179.74 3fwn h ALA 216 N 0.80 0.97 -0.37 1.53 0.00 -0.79 0.15 119.26 121.55 3fwn h ALA 216 Ca 0.07 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3fwn h ALA 216 Cb 0.48 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3fwn h ALA 216 CO 0.02 0.45 0.21 1.96 0.00 0.00 0.00 179.25 181.89 3fwn h GLN 217 N 1.04 0.50 -0.07 0.00 4.20 -1.10 0.31 115.11 119.99 3fwn h GLN 217 Ca 0.27 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.93 3fwn h GLN 217 Cb -0.02 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.66 3fwn h GLN 217 CO -0.05 0.39 0.03 1.15 -0.67 0.00 0.00 178.83 179.69 3fwn h THR 218 N 0.47 1.14 -0.40 -0.54 2.02 -0.70 -0.66 112.91 114.24 3fwn h THR 218 Ca 0.13 -0.41 -0.05 0.00 0.77 0.00 0.00 66.41 66.85 3fwn h THR 218 Cb 0.03 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 3fwn h THR 218 CO -0.02 0.12 0.04 -0.26 0.37 0.00 0.00 175.52 175.76 3fwn h PHE 219 N -0.04 0.64 -0.73 3.16 0.04 -0.84 -0.23 116.94 118.93 3fwn h PHE 219 Ca 0.02 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 3fwn h PHE 219 Cb 0.16 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.09 3fwn h PHE 219 CO -0.02 0.59 0.38 1.15 -0.60 0.00 0.00 178.31 179.81 3fwn h THR 220 N 0.59 1.23 -0.51 -1.55 2.02 -0.59 -0.25 112.91 113.85 3fwn h THR 220 Ca 0.13 -0.61 -0.12 0.00 0.77 0.00 0.00 66.41 66.58 3fwn h THR 220 Cb 0.31 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 3fwn h THR 220 CO 0.01 0.26 -0.16 -0.08 0.37 0.00 0.00 175.52 175.92 3fwn h GLU 221 N 1.01 0.99 -0.52 6.66 4.81 -0.41 -2.67 114.58 124.47 3fwn h GLU 221 Ca 0.25 -0.39 -0.07 0.00 -0.13 0.00 0.00 59.36 59.02 3fwn h GLU 221 Cb 0.07 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3fwn h GLU 221 CO -0.04 1.07 0.04 -1.49 -0.73 0.00 0.00 179.01 177.86 3fwn h TRP 222 N 0.87 0.89 0.00 0.92 6.55 -0.80 -2.25 115.95 122.12 3fwn h TRP 222 Ca 0.13 -0.11 0.00 0.00 0.95 0.00 0.00 58.89 59.85 3fwn h TRP 222 Cb 0.73 -0.25 0.00 0.00 -0.86 0.00 0.00 29.16 28.78 3fwn h TRP 222 CO 0.05 0.79 0.00 -0.97 -1.05 0.00 0.00 178.44 177.26 3fwn h ASN 223 N 0.79 0.00 0.86 -3.49 -1.24 -0.71 -2.46 115.58 109.33 3fwn h ASN 223 Ca 0.16 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 57.06 3fwn h ASN 223 Cb 0.42 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.45 3fwn h ASN 223 CO 0.01 0.00 -0.54 -1.13 -1.29 0.00 0.00 177.43 174.49 3fwn h ASN 224 N 0.00 0.00 0.00 1.15 -1.24 -1.20 -3.32 115.58 110.98 3fwn h ASN 224 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3fwn h ASN 224 Cb 0.23 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.28 3fwn h ASN 224 CO 0.00 0.54 0.00 0.61 -1.29 0.00 0.00 177.43 177.29 3fwn n GLY 225 N 0.47 1.76 0.32 1.57 0.00 -0.93 -4.86 105.19 103.53 3fwn n GLY 225 Ca -0.00 -1.82 0.20 0.00 0.00 0.00 0.00 46.02 44.39 3fwn n GLY 225 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3fwn h GLU 226 N 0.00 0.00 0.00 1.61 4.11 -1.90 -1.91 114.58 116.48 3fwn h GLU 226 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3fwn h GLU 226 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3fwn h GLU 226 CO 0.00 0.01 0.00 1.28 0.07 0.00 0.00 179.01 180.37 3fwn n LEU 227 N -3.34 0.00 -3.39 3.06 4.77 -1.26 -4.52 117.00 112.33 3fwn n LEU 227 Ca -0.03 0.46 -0.48 0.00 -0.03 0.00 0.00 56.01 55.93 3fwn n LEU 227 Cb 0.10 -0.46 -0.07 0.00 -2.33 0.00 0.00 43.42 40.65 3fwn n LEU 227 CO 0.23 -0.08 0.88 -0.24 -1.33 0.00 0.00 177.39 176.85 3fwn n SER 228 N -1.46 0.83 -3.48 -1.43 2.88 -0.72 -4.85 113.62 105.39 3fwn n SER 228 Ca 0.07 0.82 -0.12 0.00 -1.33 0.00 0.00 58.87 58.30 3fwn n SER 228 Cb 0.27 -0.64 -0.03 0.00 -0.75 0.00 0.00 64.21 63.06 3fwn n SER 228 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3fwn s SER 229 N 2.43 -0.51 0.20 -3.46 1.04 -1.26 -2.41 113.70 109.72 3fwn s SER 229 Ca 0.77 0.20 -0.11 0.00 0.48 0.00 0.00 55.95 57.30 3fwn s SER 229 Cb -1.08 0.49 0.14 0.00 0.10 0.00 0.00 66.02 65.66 3fwn s SER 229 CO 0.58 -0.72 1.86 0.22 0.98 0.00 0.00 173.24 176.16 3fwn h TYR 230 N 2.28 0.91 -0.26 5.02 3.20 -1.60 -1.49 116.97 125.04 3fwn h TYR 230 Ca -0.27 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.55 3fwn h TYR 230 Cb 1.24 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 3fwn h TYR 230 CO 0.28 0.59 -0.12 -0.07 -1.64 0.00 0.00 178.16 177.21 3fwn h LEU 231 N 0.97 0.41 -0.48 2.82 3.38 -1.80 -0.61 115.31 119.99 3fwn h LEU 231 Ca 0.26 -0.10 -0.17 0.00 0.09 0.00 0.00 57.88 57.96 3fwn h LEU 231 Cb -0.08 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3fwn h LEU 231 CO -0.05 0.56 -0.70 0.40 0.09 0.00 0.00 178.44 178.74 3fwn h ILE 232 N 0.40 1.39 -0.10 1.22 2.04 -1.83 -1.98 117.51 118.66 3fwn h ILE 232 Ca 0.08 -2.12 0.01 0.00 1.00 0.00 0.00 64.86 63.82 3fwn h ILE 232 Cb 0.45 2.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 3fwn h ILE 232 CO 0.03 0.63 0.05 -0.78 0.00 0.00 0.00 178.15 178.08 3fwn h ASP 233 N 0.23 0.07 0.75 1.72 3.58 -0.66 -1.59 116.42 120.52 3fwn h ASP 233 Ca -0.02 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.33 3fwn h ASP 233 Cb 1.25 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.28 3fwn h ASP 233 CO 0.11 0.06 -0.47 0.16 -2.88 0.00 0.00 179.24 176.22 3fwn h ILE 234 N 0.11 1.11 -0.63 2.25 3.07 -1.13 -2.81 117.51 119.48 3fwn h ILE 234 Ca 0.04 -1.76 -0.07 0.00 1.55 0.00 0.00 64.86 64.62 3fwn h ILE 234 Cb 0.00 2.01 -0.03 0.00 -0.27 0.00 0.00 36.82 38.54 3fwn h ILE 234 CO -0.03 0.46 0.12 0.74 -1.05 0.00 0.00 178.15 178.40 3fwn h THR 235 N 0.00 1.26 -0.01 0.16 2.02 -0.75 0.06 112.91 115.64 3fwn h THR 235 Ca -0.00 -0.98 -0.09 0.00 0.77 0.00 0.00 66.41 66.10 3fwn h THR 235 Cb 0.98 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 3fwn h THR 235 CO 0.06 0.37 -0.44 0.07 0.37 0.00 0.00 175.52 175.95 3fwn h LYS 236 N 0.95 0.03 -0.36 6.66 5.09 -1.13 -2.24 116.57 125.57 3fwn h LYS 236 Ca 0.19 -0.01 -0.05 0.00 0.09 0.00 0.00 60.65 60.87 3fwn h LYS 236 Cb 0.41 -0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.72 3fwn h LYS 236 CO 0.01 0.46 0.05 -0.44 -2.09 0.00 0.00 179.45 177.44 3fwn h ASP 237 N 0.02 0.58 -0.76 7.07 3.32 -1.20 -3.03 116.42 122.43 3fwn h ASP 237 Ca -0.00 -0.27 0.04 0.00 0.02 0.00 0.00 57.03 56.82 3fwn h ASP 237 Cb 0.79 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.14 3fwn h ASP 237 CO 0.06 0.71 0.50 0.40 -1.72 0.00 0.00 179.24 179.18 3fwn h ILE 238 N 0.44 1.09 0.00 0.35 2.04 -0.55 -2.17 117.51 118.71 3fwn h ILE 238 Ca 0.11 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.66 3fwn h ILE 238 Cb 0.38 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 3fwn h ILE 238 CO 0.01 0.16 0.00 0.49 0.00 0.00 0.00 178.15 178.81 3fwn n PHE 239 N -4.46 0.17 0.00 1.37 3.72 -0.88 -2.54 117.46 114.83 3fwn n PHE 239 Ca 0.10 0.06 0.01 0.00 -0.05 0.00 0.00 57.45 57.58 3fwn n PHE 239 Cb 0.15 -0.60 0.03 0.00 -0.94 0.00 0.00 39.48 38.11 3fwn n PHE 239 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3fwn n THR 240 N -1.65 0.70 -2.23 4.37 -2.24 -0.84 -4.47 114.28 107.92 3fwn n THR 240 Ca 0.04 -0.85 -0.42 0.00 -2.27 0.00 0.00 64.05 60.54 3fwn n THR 240 Cb 0.20 0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 69.07 3fwn n THR 240 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3fwn s LYS 241 N -0.77 4.24 0.11 -0.78 2.47 -1.05 -5.00 119.74 118.95 3fwn s LYS 241 Ca 0.05 1.92 0.03 0.00 -1.56 0.00 0.00 55.97 56.41 3fwn s LYS 241 Cb 0.03 -3.76 -0.04 0.00 -1.46 0.00 0.00 37.83 32.60 3fwn s LYS 241 CO 0.04 -0.69 0.14 0.15 0.16 0.00 0.00 175.35 175.15 3fwn s LYS 242 N 3.23 3.04 1.14 4.03 1.02 -1.26 -2.27 119.74 128.67 3fwn s LYS 242 Ca 0.63 -0.70 -0.19 0.00 0.02 0.00 0.00 55.97 55.73 3fwn s LYS 242 Cb -0.29 -2.78 0.28 0.00 -0.52 0.00 0.00 37.83 34.53 3fwn s LYS 242 CO 0.23 0.54 1.11 -3.47 -0.92 0.00 0.00 175.35 172.84 3fwn n ASP 243 N 0.03 -1.62 0.14 2.83 4.64 0.69 -4.78 116.55 118.48 3fwn n ASP 243 Ca -0.08 -1.21 -0.13 0.00 -1.38 0.00 0.00 54.79 51.99 3fwn n ASP 243 Cb 0.53 -0.97 -0.06 0.00 -1.04 0.00 0.00 41.12 39.57 3fwn n ASP 243 CO 0.00 0.00 0.00 -0.08 -0.82 0.00 0.00 177.20 176.30 3fwn h GLU 244 N 0.00 -0.43 -0.56 -0.67 4.57 -2.00 -0.52 114.58 114.97 3fwn h GLU 244 Ca -0.40 0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 57.72 3fwn h GLU 244 Cb 1.20 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.87 3fwn h GLU 244 CO 0.27 -0.29 0.03 -0.44 -1.18 0.00 0.00 179.01 177.40 3fwn h ASP 245 N -0.44 0.95 0.00 1.04 3.32 -2.05 -3.46 116.42 115.77 3fwn h ASP 245 Ca 0.00 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.76 3fwn h ASP 245 Cb 0.43 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3fwn h ASP 245 CO -0.06 1.01 0.00 0.61 -1.72 0.00 0.00 179.24 179.07 3fwn n GLY 246 N -0.45 1.94 3.96 2.75 0.00 -0.20 -5.13 105.19 108.06 3fwn n GLY 246 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 3fwn n GLY 246 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fwn s ASN 247 N -2.00 6.33 -0.02 1.61 0.01 -1.26 -4.42 114.94 115.19 3fwn s ASN 247 Ca 0.00 0.16 -0.30 0.00 -0.71 0.00 0.00 52.86 52.01 3fwn s ASN 247 Cb 0.00 -1.90 -0.06 0.00 0.41 0.00 0.00 41.25 39.69 3fwn s ASN 247 CO 0.00 -0.06 1.67 -0.31 -1.51 0.00 0.00 177.10 176.89 3fwn s TYR 248 N -1.95 2.05 0.24 2.20 2.02 -1.26 0.25 117.35 120.90 3fwn s TYR 248 Ca 0.35 0.19 -0.06 0.00 -0.37 0.00 0.00 57.07 57.18 3fwn s TYR 248 Cb -0.10 -3.95 0.28 0.00 -0.40 0.00 0.00 41.96 37.80 3fwn s TYR 248 CO 0.30 -3.96 1.90 1.25 -1.57 0.00 0.00 175.55 173.47 3fwn h LEU 249 N 9.81 1.03 -2.22 -1.29 5.85 -1.76 -1.95 115.31 124.78 3fwn h LEU 249 Ca -0.41 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.33 3fwn h LEU 249 Cb 1.19 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 3fwn h LEU 249 CO 0.94 0.72 0.10 1.62 -0.34 0.00 0.00 178.44 181.48 3fwn h VAL 250 N 1.20 0.66 -0.00 1.05 3.04 -1.80 -1.45 116.25 118.96 3fwn h VAL 250 Ca 0.36 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.05 3fwn h VAL 250 Cb -0.04 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 30.17 3fwn h VAL 250 CO -0.11 0.00 -0.02 0.47 -1.01 0.00 0.00 177.57 176.90 3fwn n ASP 251 N -4.08 0.04 -0.56 3.17 8.00 -0.73 -3.42 116.55 118.96 3fwn n ASP 251 Ca -0.00 0.16 0.05 0.00 0.71 0.00 0.00 54.79 55.70 3fwn n ASP 251 Cb 0.21 -0.36 0.13 0.00 -0.02 0.00 0.00 41.12 41.07 3fwn n ASP 251 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3fwn n VAL 252 N -1.38 0.88 -3.14 2.53 0.24 -0.55 -4.98 118.33 111.92 3fwn n VAL 252 Ca 0.10 -0.94 -0.39 0.00 -2.04 0.00 0.00 64.34 61.07 3fwn n VAL 252 Cb 0.30 0.59 -0.06 0.00 -1.47 0.00 0.00 33.84 33.20 3fwn n VAL 252 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3fwn s ILE 253 N -0.98 4.73 0.18 1.34 1.01 -1.18 -5.01 121.20 121.30 3fwn s ILE 253 Ca 0.20 1.40 -0.31 0.00 0.00 0.00 0.00 60.65 61.94 3fwn s ILE 253 Cb 0.11 -4.00 -0.10 0.00 0.01 0.00 0.00 42.46 38.48 3fwn s ILE 253 CO 0.14 0.46 1.52 -0.22 0.00 0.00 0.00 174.94 176.84 3fwn s LEU 254 N -0.57 4.37 -1.27 2.97 2.96 -1.26 -4.89 118.68 120.99 3fwn s LEU 254 Ca 0.33 2.61 -0.07 0.00 -0.22 0.00 0.00 54.13 56.78 3fwn s LEU 254 Cb -0.20 -3.60 -0.00 0.00 0.50 0.00 0.00 46.19 42.89 3fwn s LEU 254 CO 0.20 -0.78 2.75 -0.90 -1.32 0.00 0.00 176.35 176.31 3fwn n ASP 255 N 3.52 8.01 -3.91 3.68 5.75 -1.26 -4.77 116.55 127.57 3fwn n ASP 255 Ca 0.12 -2.86 -0.30 0.00 -0.01 0.00 0.00 54.79 51.73 3fwn n ASP 255 Cb 0.39 -1.44 -0.15 0.00 -1.03 0.00 0.00 41.12 38.89 3fwn n ASP 255 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3fwn s GLU 256 N 0.32 1.30 -0.22 0.11 2.02 -1.26 -4.64 118.70 116.32 3fwn s GLU 256 Ca 0.62 -1.35 -0.25 0.00 0.02 0.00 0.00 54.97 54.01 3fwn s GLU 256 Cb 0.21 -2.64 -0.01 0.00 0.10 0.00 0.00 34.13 31.79 3fwn s GLU 256 CO -0.08 -0.85 0.83 0.00 0.02 0.00 0.00 175.26 175.18 3fwn s ALA 257 N 1.27 3.62 0.78 5.21 0.00 -1.26 -4.93 121.76 126.45 3fwn s ALA 257 Ca 0.05 -0.09 -0.06 0.00 0.00 0.00 0.00 51.96 51.86 3fwn s ALA 257 Cb -0.18 -3.27 0.13 0.00 0.00 0.00 0.00 23.12 19.80 3fwn s ALA 257 CO -0.13 -0.86 1.08 0.00 0.00 0.00 0.00 175.76 175.86 3fwn s ALA 258 N 2.67 3.22 0.04 0.00 0.00 -1.26 -4.64 121.76 121.78 3fwn s ALA 258 Ca 0.36 -1.44 -0.25 0.00 0.00 0.00 0.00 51.96 50.63 3fwn s ALA 258 Cb -0.16 -2.32 0.06 0.00 0.00 0.00 0.00 23.12 20.71 3fwn s ALA 258 CO 0.08 -1.68 0.58 0.54 0.00 0.00 0.00 175.76 175.28 3fwn s ASN 259 N -4.73 -0.52 -0.27 0.00 4.22 -1.26 -5.05 114.94 107.32 3fwn s ASN 259 Ca 0.67 0.31 0.11 0.00 -2.14 0.00 0.00 52.86 51.81 3fwn s ASN 259 Cb -0.06 0.52 0.52 0.00 1.28 0.00 0.00 41.25 43.52 3fwn s ASN 259 CO 0.47 -0.72 1.49 0.29 -2.04 0.00 0.00 177.10 176.58 3fwn n LYS 260 N 0.44 2.15 0.00 3.55 4.76 -1.26 -5.02 118.16 122.79 3fwn n LYS 260 Ca -0.18 -3.08 0.00 0.00 -2.87 0.00 0.00 58.31 52.17 3fwn n LYS 260 Cb 0.60 -1.85 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 3fwn n LYS 260 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3fwn n GLY 261 N -0.97 2.87 0.29 0.72 0.00 -1.26 -4.94 105.19 101.90 3fwn n GLY 261 Ca 0.32 -0.46 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 3fwn n GLY 261 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3fwn h THR 262 N 0.00 1.20 -0.14 2.61 1.35 -1.95 0.16 112.91 116.14 3fwn h THR 262 Ca 0.00 -0.72 -0.02 0.00 -0.55 0.00 0.00 66.41 65.12 3fwn h THR 262 Cb 0.00 0.75 -0.01 0.00 -1.73 0.00 0.00 68.15 67.17 3fwn h THR 262 CO 0.00 0.26 0.02 1.23 -0.25 0.00 0.00 175.52 176.78 3fwn h GLY 263 N 0.87 0.26 0.82 5.82 0.00 -1.85 0.14 103.07 109.13 3fwn h GLY 263 Ca 0.15 -0.17 0.04 0.00 0.00 0.00 0.00 47.33 47.34 3fwn h GLY 263 CO -0.00 0.16 0.44 1.70 0.00 0.00 0.00 176.54 178.84 3fwn h LYS 264 N 0.01 0.82 -0.65 4.80 3.64 -1.89 -1.44 116.57 121.85 3fwn h LYS 264 Ca 0.04 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 3fwn h LYS 264 Cb 0.31 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 3fwn h LYS 264 CO 0.00 0.54 0.10 -1.49 -2.27 0.00 0.00 179.45 176.33 3fwn h TRP 265 N 0.84 1.14 -0.20 1.91 6.55 -0.33 -0.04 115.95 125.82 3fwn h TRP 265 Ca 0.29 -0.16 0.03 0.00 0.95 0.00 0.00 58.89 60.01 3fwn h TRP 265 Cb 0.06 -0.31 -0.03 0.00 -0.86 0.00 0.00 29.16 28.02 3fwn h TRP 265 CO -0.05 0.96 0.03 1.15 -1.05 0.00 0.00 178.44 179.48 3fwn h THR 266 N 1.01 0.90 -0.49 1.49 2.02 -0.50 -0.70 112.91 116.64 3fwn h THR 266 Ca 0.20 -0.04 -0.07 0.00 0.77 0.00 0.00 66.41 67.28 3fwn h THR 266 Cb 0.44 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 3fwn h THR 266 CO 0.01 0.02 0.03 0.28 0.37 0.00 0.00 175.52 176.24 3fwn h SER 267 N 0.11 0.75 0.25 4.18 0.02 -0.94 -0.84 113.55 117.08 3fwn h SER 267 Ca 0.09 -0.17 -0.09 0.00 -0.84 0.00 0.00 61.79 60.78 3fwn h SER 267 Cb 0.09 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 3fwn h SER 267 CO -0.13 0.79 -0.37 1.56 -1.14 0.00 0.00 176.83 177.54 3fwn h GLN 268 N 0.74 0.17 -0.18 3.45 4.20 -0.62 -1.31 115.11 121.56 3fwn h GLN 268 Ca 0.15 -0.07 -0.21 0.00 0.06 0.00 0.00 58.65 58.58 3fwn h GLN 268 Cb 0.40 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.18 3fwn h GLN 268 CO 0.01 0.52 -0.71 1.03 -0.67 0.00 0.00 178.83 179.02 3fwn h SER 269 N 0.15 0.87 -0.86 1.46 0.87 -0.70 -0.42 113.55 114.92 3fwn h SER 269 Ca 0.02 -0.54 0.06 0.00 -1.23 0.00 0.00 61.79 60.09 3fwn h SER 269 Cb 0.73 -0.26 -0.06 0.00 -0.44 0.00 0.00 62.40 62.37 3fwn h SER 269 CO 0.05 1.33 0.54 0.00 -0.53 0.00 0.00 176.83 178.22 3fwn h ALA 270 N 0.67 1.18 -0.44 6.23 0.00 -0.81 0.12 119.26 126.20 3fwn h ALA 270 Ca -0.03 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3fwn h ALA 270 Cb 1.32 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3fwn h ALA 270 CO 0.14 0.31 0.05 -0.07 0.00 0.00 0.00 179.25 179.69 3fwn h LEU 271 N 1.00 0.72 -1.35 0.00 3.38 -0.93 -0.91 115.31 117.22 3fwn h LEU 271 Ca 0.37 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 3fwn h LEU 271 Cb 0.13 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3fwn h LEU 271 CO -0.16 0.81 -0.15 0.44 0.09 0.00 0.00 178.44 179.47 3fwn h ASP 272 N 0.60 0.24 0.17 -0.43 3.32 -0.10 -3.20 116.42 117.02 3fwn h ASP 272 Ca 0.13 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3fwn h ASP 272 Cb 0.41 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3fwn h ASP 272 CO 0.01 0.41 -0.27 0.18 -1.72 0.00 0.00 179.24 177.85 3fwn n LEU 273 N -4.25 1.26 0.00 1.55 4.77 0.32 -4.95 117.00 115.71 3fwn n LEU 273 Ca -0.01 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 3fwn n LEU 273 Cb 0.29 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3fwn n LEU 273 CO 0.38 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 3fwn n GLY 274 N 1.34 0.41 3.79 -0.72 0.00 -0.57 -5.03 105.19 104.41 3fwn n GLY 274 Ca 0.12 -1.02 -0.36 0.00 0.00 0.00 0.00 46.02 44.75 3fwn n GLY 274 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fwn s GLU 275 N -1.86 3.95 -1.32 1.61 0.41 -0.45 -5.00 118.70 116.03 3fwn s GLU 275 Ca 0.00 0.00 -0.13 0.00 -0.41 0.00 0.00 54.97 54.43 3fwn s GLU 275 Cb 0.00 -3.32 0.12 0.00 -1.78 0.00 0.00 34.13 29.14 3fwn s GLU 275 CO 0.00 0.48 1.87 -0.35 -0.49 0.00 0.00 175.26 176.77 3fwn n PRO 276 N 2.83 3.29 -1.90 0.39 -0.04 -1.26 -4.52 135.00 133.80 3fwn n PRO 276 Ca -0.16 -3.29 -0.40 0.00 -0.04 0.00 0.00 63.50 59.61 3fwn n PRO 276 Cb 0.53 -3.14 -0.01 0.00 -0.04 0.00 0.00 33.50 30.84 3fwn n PRO 276 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3fwn n LEU 277 N 5.54 7.86 -0.06 1.53 7.94 -1.26 -4.75 117.00 133.80 3fwn n LEU 277 Ca 0.44 -4.69 -0.07 0.00 -1.11 0.00 0.00 56.01 50.58 3fwn n LEU 277 Cb 0.40 -1.44 0.10 0.00 0.53 0.00 0.00 43.42 43.01 3fwn n LEU 277 CO 0.80 1.87 0.69 0.77 -1.11 0.00 0.00 177.39 180.41 3fwn h SER 278 N 5.00 0.73 0.27 1.96 4.64 -1.95 -2.48 113.55 121.71 3fwn h SER 278 Ca 0.67 -0.27 -0.01 0.00 -0.47 0.00 0.00 61.79 61.71 3fwn h SER 278 Cb 0.38 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3fwn h SER 278 CO 1.60 0.95 -0.13 0.25 -0.87 0.00 0.00 176.83 178.63 3fwn h LEU 279 N 0.62 -0.31 -1.04 5.97 6.46 -1.89 0.29 115.31 125.41 3fwn h LEU 279 Ca 0.08 -0.22 0.08 0.00 -0.12 0.00 0.00 57.88 57.70 3fwn h LEU 279 Cb 0.75 0.08 -0.07 0.00 -0.73 0.00 0.00 40.66 40.69 3fwn h LEU 279 CO 0.06 0.16 0.64 0.40 -0.62 0.00 0.00 178.44 179.07 3fwn h ILE 280 N -0.88 1.04 -0.71 4.05 2.04 -1.89 -0.89 117.51 120.27 3fwn h ILE 280 Ca -0.04 -0.38 -0.07 0.00 1.00 0.00 0.00 64.86 65.37 3fwn h ILE 280 Cb 0.51 -0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 3fwn h ILE 280 CO 0.06 0.20 0.17 0.74 0.00 0.00 0.00 178.15 179.33 3fwn h THR 281 N 1.11 1.26 0.00 -0.27 2.02 -1.34 -1.02 112.91 114.66 3fwn h THR 281 Ca 0.44 -0.97 -0.05 0.00 0.77 0.00 0.00 66.41 66.60 3fwn h THR 281 Cb 0.26 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3fwn h THR 281 CO -0.19 0.37 -0.22 -0.33 0.37 0.00 0.00 175.52 175.52 3fwn h GLU 282 N 1.07 0.00 -0.59 6.66 4.39 -0.49 -1.11 114.58 124.51 3fwn h GLU 282 Ca 0.22 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.83 3fwn h GLU 282 Cb 0.37 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 3fwn h GLU 282 CO 0.00 0.22 0.01 0.77 -1.16 0.00 0.00 179.01 178.85 3fwn h SER 283 N 0.00 1.00 -0.23 1.42 0.02 -0.13 0.10 113.55 115.73 3fwn h SER 283 Ca -0.00 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.64 3fwn h SER 283 Cb 0.64 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 3fwn h SER 283 CO 0.03 1.04 0.02 0.58 -1.14 0.00 0.00 176.83 177.36 3fwn h VAL 284 N 0.94 1.24 -0.00 2.27 2.07 -0.59 -2.05 116.25 120.13 3fwn h VAL 284 Ca 0.17 -0.82 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 3fwn h VAL 284 Cb 0.53 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3fwn h VAL 284 CO 0.03 0.26 -0.27 -0.26 0.02 0.00 0.00 177.57 177.34 3fwn h PHE 285 N 0.18 0.00 -0.54 1.57 0.04 -1.05 0.61 116.94 117.75 3fwn h PHE 285 Ca 0.07 -0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.75 3fwn h PHE 285 Cb 0.36 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 3fwn h PHE 285 CO 0.03 0.28 -0.00 0.00 -0.60 0.00 0.00 178.31 178.01 3fwn h ALA 286 N 1.72 0.97 -0.51 2.45 0.00 -0.56 -0.41 119.26 122.92 3fwn h ALA 286 Ca -0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 3fwn h ALA 286 Cb 0.49 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3fwn h ALA 286 CO 0.04 0.62 0.15 0.00 0.00 0.00 0.00 179.25 180.06 3fwn h ARG 287 N 0.85 0.81 -0.88 0.00 3.08 -0.57 -1.52 114.38 116.15 3fwn h ARG 287 Ca 0.16 -0.18 0.01 0.00 0.07 0.00 0.00 59.98 60.04 3fwn h ARG 287 Cb 0.51 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 3fwn h ARG 287 CO 0.03 0.75 0.58 1.88 -1.07 0.00 0.00 179.97 182.14 3fwn h TYR 288 N 0.71 1.11 0.00 3.04 0.05 -0.38 -1.23 116.97 120.26 3fwn h TYR 288 Ca 0.16 0.03 -0.12 0.00 0.05 0.00 0.00 58.73 58.85 3fwn h TYR 288 Cb 0.29 -0.37 -0.02 0.00 1.01 0.00 0.00 36.73 37.64 3fwn h TYR 288 CO 0.02 0.69 -0.57 0.97 -1.05 0.00 0.00 178.16 178.22 3fwn h ILE 289 N 1.19 1.21 -0.00 -2.88 2.10 -0.97 -1.85 117.51 116.31 3fwn h ILE 289 Ca 0.32 -2.11 -0.06 0.00 1.08 0.00 0.00 64.86 64.09 3fwn h ILE 289 Cb -0.13 2.21 -0.01 0.00 -1.09 0.00 0.00 36.82 37.80 3fwn h ILE 289 CO -0.07 0.56 -0.28 0.77 -1.08 0.00 0.00 178.15 178.05 3fwn h SER 290 N 0.00 0.01 0.31 2.19 4.64 -0.43 -1.53 113.55 118.73 3fwn h SER 290 Ca -0.01 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3fwn h SER 290 Cb 1.16 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3fwn h SER 290 CO 0.07 0.28 -0.01 -1.20 -0.87 0.00 0.00 176.83 175.11 3fwn n SER 291 N -4.21 0.08 -3.04 4.97 7.64 -0.54 -3.30 113.62 115.21 3fwn n SER 291 Ca -0.02 -0.56 -0.40 0.00 1.01 0.00 0.00 58.87 58.90 3fwn n SER 291 Cb 0.33 -0.14 0.03 0.00 -1.01 0.00 0.00 64.21 63.42 3fwn n SER 291 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3fwn n LEU 292 N -1.11 7.47 -0.10 -3.43 4.77 -0.58 -4.78 117.00 119.26 3fwn n LEU 292 Ca 0.18 -4.91 -0.07 0.00 -0.03 0.00 0.00 56.01 51.19 3fwn n LEU 292 Cb 0.19 -1.10 0.01 0.00 -2.33 0.00 0.00 43.42 40.19 3fwn n LEU 292 CO 0.21 1.81 0.94 0.50 -1.33 0.00 0.00 177.39 179.53 3fwn h LYS 293 N 3.23 0.27 -0.89 3.23 1.63 -1.73 -0.97 116.57 121.35 3fwn h LYS 293 Ca 0.56 -0.02 0.06 0.00 -0.85 0.00 0.00 60.65 60.40 3fwn h LYS 293 Cb 0.10 -0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 31.61 3fwn h LYS 293 CO 1.37 0.18 0.56 -0.44 -3.45 0.00 0.00 179.45 177.67 3fwn h ASP 294 N 0.28 0.89 -0.50 4.20 3.32 -1.92 0.61 116.42 123.30 3fwn h ASP 294 Ca 0.15 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.11 3fwn h ASP 294 Cb 0.11 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3fwn h ASP 294 CO -0.14 0.57 -0.07 1.56 -1.72 0.00 0.00 179.24 179.44 3fwn h GLN 295 N 1.02 0.96 -0.43 3.56 4.20 -1.82 -1.82 115.11 120.78 3fwn h GLN 295 Ca 0.38 -0.33 -0.09 0.00 0.06 0.00 0.00 58.65 58.68 3fwn h GLN 295 Cb 0.15 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3fwn h GLN 295 CO -0.17 0.99 -0.06 0.00 -0.67 0.00 0.00 178.83 178.92 3fwn h ARG 296 N 0.87 0.81 -0.56 1.46 3.08 -0.48 0.65 114.38 120.20 3fwn h ARG 296 Ca 0.15 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 3fwn h ARG 296 Cb 0.61 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 3fwn h ARG 296 CO 0.04 0.91 0.31 0.28 -1.07 0.00 0.00 179.97 180.44 3fwn h VAL 297 N 0.64 1.18 -0.39 2.04 2.07 -0.78 0.90 116.25 121.91 3fwn h VAL 297 Ca 0.11 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.19 3fwn h VAL 297 Cb 0.58 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3fwn h VAL 297 CO 0.03 0.20 0.24 0.00 0.02 0.00 0.00 177.57 178.06 3fwn h ALA 298 N 1.14 0.49 -0.34 1.67 0.00 -1.14 -2.84 119.26 118.25 3fwn h ALA 298 Ca 0.20 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3fwn h ALA 298 Cb 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3fwn h ALA 298 CO -0.03 -0.08 -0.06 0.00 0.00 0.00 0.00 179.25 179.08 3fwn h ALA 299 N 1.16 1.26 0.00 0.00 0.00 -0.57 -2.66 119.26 118.45 3fwn h ALA 299 Ca 0.15 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3fwn h ALA 299 Cb -0.03 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3fwn h ALA 299 CO -0.05 0.49 -0.01 0.66 0.00 0.00 0.00 179.25 180.34 3fwn h SER 300 N 0.52 0.00 0.61 0.00 4.64 -0.58 0.12 113.55 118.86 3fwn h SER 300 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3fwn h SER 300 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3fwn h SER 300 CO 0.02 0.01 -0.39 0.29 -0.87 0.00 0.00 176.83 175.88 3fwn n LYS 301 N -3.22 0.00 -0.02 4.77 5.02 -1.00 -4.48 118.16 119.22 3fwn n LYS 301 Ca -0.03 -0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.22 3fwn n LYS 301 Cb 0.10 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.59 3fwn n LYS 301 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3fwn n VAL 302 N -1.50 0.24 -2.81 -0.18 0.31 -0.38 -5.05 118.33 108.96 3fwn n VAL 302 Ca 0.06 -0.07 -0.37 0.00 -0.01 0.00 0.00 64.34 63.95 3fwn n VAL 302 Cb 0.34 -1.30 -0.06 0.00 -0.91 0.00 0.00 33.84 31.90 3fwn n VAL 302 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3fwn s LEU 303 N -5.95 4.37 0.37 7.52 1.43 0.28 -5.06 118.68 121.63 3fwn s LEU 303 Ca -0.06 1.81 0.03 0.00 -1.03 0.00 0.00 54.13 54.88 3fwn s LEU 303 Cb 0.02 -3.93 -0.01 0.00 0.03 0.00 0.00 46.19 42.30 3fwn s LEU 303 CO 0.08 -0.03 0.54 -0.94 0.23 0.00 0.00 176.35 176.23 3fwn s SER 304 N -1.57 6.01 0.32 2.29 1.04 -1.26 -4.85 113.70 115.68 3fwn s SER 304 Ca 0.48 0.11 -0.02 0.00 0.48 0.00 0.00 55.95 57.00 3fwn s SER 304 Cb -0.19 -1.53 0.01 0.00 0.10 0.00 0.00 66.02 64.40 3fwn s SER 304 CO 0.24 -0.46 0.46 0.61 0.98 0.00 0.00 173.24 175.07 3fwn n GLY 305 N -1.79 2.14 3.89 7.32 0.00 -1.26 -5.16 105.19 110.33 3fwn n GLY 305 Ca -0.01 -1.58 -0.30 0.00 0.00 0.00 0.00 46.02 44.13 3fwn n GLY 305 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3fwn s PRO 306 N -2.70 2.75 -0.11 1.61 0.04 -1.26 -5.05 135.00 130.28 3fwn s PRO 306 Ca 0.26 0.38 -0.25 0.00 0.04 0.00 0.00 61.00 61.43 3fwn s PRO 306 Cb -0.01 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 3fwn s PRO 306 CO 0.19 -1.08 0.80 -1.14 0.04 0.00 0.00 177.00 175.80 3fwn s GLN 307 N -5.36 4.37 0.09 4.56 0.74 -1.26 -4.90 119.66 117.90 3fwn s GLN 307 Ca 0.58 1.00 -0.35 0.00 0.05 0.00 0.00 55.36 56.65 3fwn s GLN 307 Cb -0.11 -3.52 -0.14 0.00 1.10 0.00 0.00 33.01 30.34 3fwn s GLN 307 CO 0.51 -0.15 1.56 0.00 -0.55 0.00 0.00 175.29 176.65 3fwn n ALA 308 N 4.56 0.60 -2.83 1.58 0.00 -1.26 -4.86 120.51 118.30 3fwn n ALA 308 Ca 0.02 0.44 -0.28 0.00 0.00 0.00 0.00 53.44 53.63 3fwn n ALA 308 Cb 0.50 -2.29 -0.03 0.00 0.00 0.00 0.00 19.45 17.63 3fwn n ALA 308 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3fwn s GLN 309 N 1.32 3.49 0.23 0.00 -1.52 -1.26 -5.08 119.66 116.84 3fwn s GLN 309 Ca 0.83 -0.41 -0.30 0.00 -1.95 0.00 0.00 55.36 53.53 3fwn s GLN 309 Cb -0.77 -2.90 -0.09 0.00 -0.22 0.00 0.00 33.01 29.02 3fwn s GLN 309 CO 0.43 0.47 1.36 -1.25 -0.25 0.00 0.00 175.29 176.05 3fwn s PRO 310 N -3.16 4.34 0.29 2.91 0.04 -1.26 -4.91 135.00 133.24 3fwn s PRO 310 Ca 0.37 2.17 0.15 0.00 0.04 0.00 0.00 61.00 63.73 3fwn s PRO 310 Cb -0.11 -3.15 0.24 0.00 0.04 0.00 0.00 34.50 31.51 3fwn s PRO 310 CO 0.28 -0.31 1.52 0.00 0.04 0.00 0.00 177.00 178.53 3fwn h ALA 311 N 5.08 0.74 0.00 8.56 0.00 -1.98 -3.50 119.26 128.16 3fwn h ALA 311 Ca -0.46 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 53.96 3fwn h ALA 311 Cb 1.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3fwn h ALA 311 CO 0.77 0.67 0.00 0.41 0.00 0.00 0.00 179.25 181.10 3fwn n GLY 312 N 0.89 -0.89 3.68 0.00 0.00 -1.26 -4.80 105.19 102.81 3fwn n GLY 312 Ca 0.01 -1.65 -0.45 0.00 0.00 0.00 0.00 46.02 43.93 3fwn n GLY 312 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3fwn n ASP 313 N 0.20 3.46 0.10 1.61 2.03 -1.26 -4.90 116.55 117.79 3fwn n ASP 313 Ca 0.00 1.06 -0.12 0.00 0.52 0.00 0.00 54.79 56.24 3fwn n ASP 313 Cb 0.00 -1.47 -0.05 0.00 -0.72 0.00 0.00 41.12 38.87 3fwn n ASP 313 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 3fwn h LYS 314 N 6.74 -0.34 -0.92 -0.67 3.64 -1.99 -0.99 116.57 122.03 3fwn h LYS 314 Ca -0.45 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.94 3fwn h LYS 314 Cb 1.24 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 33.09 3fwn h LYS 314 CO 0.92 -0.23 0.54 0.00 -2.27 0.00 0.00 179.45 178.41 3fwn h ALA 315 N 0.47 1.21 -0.42 5.00 0.00 -2.00 -0.68 119.26 122.85 3fwn h ALA 315 Ca 0.03 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 3fwn h ALA 315 Cb 0.38 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3fwn h ALA 315 CO -0.11 0.66 -0.15 0.93 0.00 0.00 0.00 179.25 180.58 3fwn h GLU 316 N 1.28 0.85 -0.30 0.00 5.08 -1.90 -1.19 114.58 118.40 3fwn h GLU 316 Ca 0.33 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3fwn h GLU 316 Cb -0.03 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3fwn h GLU 316 CO -0.06 0.98 0.02 0.35 -1.00 0.00 0.00 179.01 179.30 3fwn h PHE 317 N 0.67 0.55 -1.00 4.33 3.57 -0.81 -1.69 116.94 122.56 3fwn h PHE 317 Ca 0.10 -0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.55 3fwn h PHE 317 Cb 0.69 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.23 3fwn h PHE 317 CO 0.05 0.63 0.66 0.82 -2.23 0.00 0.00 178.31 178.24 3fwn h ILE 318 N 0.32 1.19 -0.20 1.41 2.04 -0.97 -1.06 117.51 120.23 3fwn h ILE 318 Ca 0.09 -0.44 -0.10 0.00 1.00 0.00 0.00 64.86 65.41 3fwn h ILE 318 Cb 0.39 -0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 3fwn h ILE 318 CO 0.01 0.23 -0.31 -0.08 0.00 0.00 0.00 178.15 178.00 3fwn h GLU 319 N 1.28 0.40 -0.48 2.37 4.57 -1.00 -0.25 114.58 121.47 3fwn h GLU 319 Ca 0.39 -0.17 -0.11 0.00 -1.18 0.00 0.00 59.36 58.30 3fwn h GLU 319 Cb -0.03 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 3fwn h GLU 319 CO -0.12 0.68 -0.12 0.87 -1.18 0.00 0.00 179.01 179.14 3fwn h LYS 320 N 0.35 0.93 -0.59 1.92 1.57 -0.38 -1.41 116.57 118.96 3fwn h LYS 320 Ca 0.05 -0.36 -0.06 0.00 -1.87 0.00 0.00 60.65 58.41 3fwn h LYS 320 Cb 0.72 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 3fwn h LYS 320 CO 0.06 1.01 0.13 0.28 -0.57 0.00 0.00 179.45 180.36 3fwn h VAL 321 N 0.78 1.24 -0.22 0.50 2.07 -0.97 -0.51 116.25 119.15 3fwn h VAL 321 Ca 0.12 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 3fwn h VAL 321 Cb 0.67 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3fwn h VAL 321 CO 0.05 0.33 0.13 -0.09 0.02 0.00 0.00 177.57 178.01 3fwn h ARG 322 N 0.88 0.30 -0.75 1.57 2.43 -0.80 -0.07 114.38 117.94 3fwn h ARG 322 Ca 0.19 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 3fwn h ARG 322 Cb 0.34 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 3fwn h ARG 322 CO 0.00 0.24 0.32 0.00 -1.51 0.00 0.00 179.97 179.02 3fwn h ARG 323 N 0.26 1.12 -0.66 0.20 3.08 -1.11 -1.49 114.38 115.78 3fwn h ARG 323 Ca 0.08 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 3fwn h ARG 323 Cb 0.03 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.86 3fwn h ARG 323 CO -0.01 0.90 0.26 0.00 -1.07 0.00 0.00 179.97 180.05 3fwn h ALA 324 N 1.16 0.86 -0.38 0.04 0.00 -0.63 -0.91 119.26 119.39 3fwn h ALA 324 Ca 0.25 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3fwn h ALA 324 Cb 0.19 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3fwn h ALA 324 CO -0.02 0.48 0.21 1.25 0.00 0.00 0.00 179.25 181.16 3fwn h LEU 325 N 0.93 0.47 -0.28 0.00 5.85 -0.68 0.16 115.31 121.77 3fwn h LEU 325 Ca 0.22 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 3fwn h LEU 325 Cb 0.21 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3fwn h LEU 325 CO -0.02 0.42 -0.00 0.22 -0.34 0.00 0.00 178.44 178.72 3fwn h TYR 326 N 0.48 0.55 -0.31 1.25 -0.00 -1.05 -0.40 116.97 117.48 3fwn h TYR 326 Ca 0.13 -0.10 -0.08 0.00 -0.00 0.00 0.00 58.73 58.68 3fwn h TYR 326 Cb 0.06 -0.14 -0.02 0.00 -0.00 0.00 0.00 36.73 36.63 3fwn h TYR 326 CO -0.03 0.65 -0.16 1.25 -0.00 0.00 0.00 178.16 179.88 3fwn h LEU 327 N 0.29 0.55 -0.59 2.82 5.85 -1.12 -1.44 115.31 121.66 3fwn h LEU 327 Ca 0.08 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 3fwn h LEU 327 Cb 0.44 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3fwn h LEU 327 CO 0.02 0.73 0.31 1.23 -0.34 0.00 0.00 178.44 180.38 3fwn h GLY 328 N 0.97 0.89 0.99 3.75 0.00 -0.46 -0.97 103.07 108.25 3fwn h GLY 328 Ca 0.09 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 3fwn h GLY 328 CO 0.04 0.40 0.33 0.50 0.00 0.00 0.00 176.54 177.81 3fwn h LYS 329 N 0.80 0.78 -0.66 4.80 1.57 -0.54 0.27 116.57 123.58 3fwn h LYS 329 Ca 0.21 -0.08 0.07 0.00 -1.87 0.00 0.00 60.65 58.98 3fwn h LYS 329 Cb 0.07 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.17 3fwn h LYS 329 CO -0.03 0.57 0.35 0.82 -0.57 0.00 0.00 179.45 180.59 3fwn h ILE 330 N 0.76 0.93 -0.54 1.86 2.04 -0.79 -0.45 117.51 121.31 3fwn h ILE 330 Ca 0.20 -0.22 -0.06 0.00 1.00 0.00 0.00 64.86 65.78 3fwn h ILE 330 Cb 0.01 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 3fwn h ILE 330 CO -0.04 0.12 0.09 0.58 0.00 0.00 0.00 178.15 178.90 3fwn h VAL 331 N 0.64 1.25 -0.73 1.67 2.07 -0.86 0.43 116.25 120.72 3fwn h VAL 331 Ca 0.31 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 3fwn h VAL 331 Cb 0.24 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3fwn h VAL 331 CO -0.21 0.34 0.29 -1.28 0.02 0.00 0.00 177.57 176.74 3fwn h SER 332 N 0.78 1.00 0.13 0.57 0.87 -0.28 -1.15 113.55 115.47 3fwn h SER 332 Ca 0.16 -0.17 -0.17 0.00 -1.23 0.00 0.00 61.79 60.39 3fwn h SER 332 Cb 0.40 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 3fwn h SER 332 CO 0.01 0.90 -0.62 1.88 -0.53 0.00 0.00 176.83 178.47 3fwn h TYR 333 N 1.04 0.62 -0.65 2.24 -1.99 -1.00 0.03 116.97 117.26 3fwn h TYR 333 Ca 0.24 -0.24 0.02 0.00 2.00 0.00 0.00 58.73 60.75 3fwn h TYR 333 Cb 0.21 -0.11 -0.04 0.00 2.00 0.00 0.00 36.73 38.79 3fwn h TYR 333 CO 0.02 0.97 0.41 0.00 -0.00 0.00 0.00 178.16 179.56 3fwn h ALA 334 N 0.97 0.83 -0.61 3.88 0.00 -0.61 0.13 119.26 123.85 3fwn h ALA 334 Ca -0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3fwn h ALA 334 Cb 1.17 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 3fwn h ALA 334 CO 0.11 0.18 0.17 1.96 0.00 0.00 0.00 179.25 181.67 3fwn h GLN 335 N 0.81 0.97 -0.37 0.00 4.20 -0.93 -1.84 115.11 117.96 3fwn h GLN 335 Ca 0.25 -0.22 -0.13 0.00 0.06 0.00 0.00 58.65 58.60 3fwn h GLN 335 Cb -0.02 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 3fwn h GLN 335 CO -0.09 0.88 -0.29 0.78 -0.67 0.00 0.00 178.83 179.44 3fwn h GLY 336 N 0.89 0.92 1.90 3.46 0.00 -0.45 -1.65 103.07 108.14 3fwn h GLY 336 Ca 0.20 -0.90 -0.12 0.00 0.00 0.00 0.00 47.33 46.51 3fwn h GLY 336 CO -0.00 0.82 -0.51 0.74 0.00 0.00 0.00 176.54 177.58 3fwn h PHE 337 N 0.64 0.13 -0.42 5.60 -1.00 -0.74 -0.63 116.94 120.53 3fwn h PHE 337 Ca 0.07 -0.04 -0.06 0.00 2.81 0.00 0.00 57.97 60.74 3fwn h PHE 337 Cb 0.87 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 40.38 3fwn h PHE 337 CO 0.06 0.60 -0.01 1.03 -1.61 0.00 0.00 178.31 178.39 3fwn h SER 338 N 0.09 0.64 -0.42 2.17 0.87 -1.13 -1.50 113.55 114.26 3fwn h SER 338 Ca 0.00 -0.14 -0.13 0.00 -1.23 0.00 0.00 61.79 60.29 3fwn h SER 338 Cb 0.93 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 3fwn h SER 338 CO 0.07 0.71 -0.21 -0.61 -0.53 0.00 0.00 176.83 176.27 3fwn h GLN 339 N 0.63 0.93 -0.98 2.24 4.15 -0.69 -1.04 115.11 120.36 3fwn h GLN 339 Ca 0.13 -0.39 0.06 0.00 0.77 0.00 0.00 58.65 59.22 3fwn h GLN 339 Cb 0.41 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.99 3fwn h GLN 339 CO 0.02 1.04 0.63 -0.07 -1.93 0.00 0.00 178.83 178.52 3fwn h LEU 340 N 0.81 1.02 -0.44 -2.39 3.38 -0.67 0.82 115.31 117.84 3fwn h LEU 340 Ca 0.11 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 3fwn h LEU 340 Cb 0.77 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3fwn h LEU 340 CO 0.06 0.67 0.01 -0.09 0.09 0.00 0.00 178.44 179.18 3fwn h ARG 341 N 1.17 0.77 -0.45 1.13 2.43 -0.81 0.14 114.38 118.77 3fwn h ARG 341 Ca 0.41 -0.24 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 3fwn h ARG 341 Cb 0.12 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 3fwn h ARG 341 CO -0.16 0.83 0.10 0.00 -1.51 0.00 0.00 179.97 179.23 3fwn h ALA 342 N 0.91 1.34 -0.17 2.80 0.00 -0.67 -1.99 119.26 121.48 3fwn h ALA 342 Ca 0.13 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 3fwn h ALA 342 Cb 0.48 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3fwn h ALA 342 CO 0.02 0.47 -0.65 0.00 0.00 0.00 0.00 179.25 179.09 3fwn h ALA 343 N 1.46 0.54 -0.76 0.00 0.00 -0.62 -1.46 119.26 118.41 3fwn h ALA 343 Ca 0.15 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 3fwn h ALA 343 Cb 0.26 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3fwn h ALA 343 CO -0.00 0.71 0.45 1.03 0.00 0.00 0.00 179.25 181.43 3fwn h SER 344 N 0.46 0.92 -0.36 0.00 0.87 -0.67 0.90 113.55 115.67 3fwn h SER 344 Ca -0.02 -0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 60.37 3fwn h SER 344 Cb 1.23 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.95 3fwn h SER 344 CO 0.13 0.73 -0.17 -0.08 -0.53 0.00 0.00 176.83 176.90 3fwn h GLU 345 N 1.05 0.76 -0.44 2.24 4.81 -1.22 -0.69 114.58 121.09 3fwn h GLU 345 Ca 0.27 -0.33 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 3fwn h GLU 345 Cb -0.02 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3fwn h GLU 345 CO -0.05 0.94 -0.07 1.49 -0.73 0.00 0.00 179.01 180.59 3fwn h GLU 346 N 0.55 0.83 -0.48 1.92 4.57 -0.74 -3.23 114.58 117.99 3fwn h GLU 346 Ca 0.08 -0.30 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 3fwn h GLU 346 Cb 0.71 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 3fwn h GLU 346 CO 0.05 0.93 0.00 0.66 -1.18 0.00 0.00 179.01 179.47 3fwn n TYR 347 N -4.31 0.63 -3.36 0.92 4.01 0.26 -4.99 117.16 110.32 3fwn n TYR 347 Ca -0.00 -0.32 -0.16 0.00 -0.16 0.00 0.00 57.90 57.26 3fwn n TYR 347 Cb 0.35 -0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.46 3fwn n TYR 347 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3fwn n ASN 348 N 1.54 -3.86 -0.00 7.72 3.02 -0.36 -4.98 115.26 118.35 3fwn n ASN 348 Ca 0.21 -0.66 0.08 0.00 -0.03 0.00 0.00 54.58 54.18 3fwn n ASN 348 Cb 0.61 -5.15 -0.12 0.00 -0.61 0.00 0.00 39.78 34.52 3fwn n ASN 348 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 3fwn n TRP 349 N -3.78 0.00 -3.99 3.10 8.01 -0.66 -4.86 117.44 115.26 3fwn n TRP 349 Ca -0.20 0.00 -0.27 0.00 -1.31 0.00 0.00 57.50 55.71 3fwn n TRP 349 Cb 0.65 -0.22 -0.03 0.00 -2.01 0.00 0.00 31.31 29.70 3fwn n TRP 349 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 3fwn n ASP 350 N -1.79 -0.61 -4.73 -0.99 2.03 -1.26 -4.66 116.55 104.53 3fwn n ASP 350 Ca -0.00 -1.06 -0.38 0.00 0.52 0.00 0.00 54.79 53.86 3fwn n ASP 350 Cb 0.37 -2.81 0.04 0.00 -0.72 0.00 0.00 41.12 38.00 3fwn n ASP 350 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3fwn n LEU 351 N -4.44 5.45 -4.17 -2.67 4.77 -1.26 -4.97 117.00 109.72 3fwn n LEU 351 Ca -0.29 0.96 -0.38 0.00 -0.03 0.00 0.00 56.01 56.27 3fwn n LEU 351 Cb 0.68 -1.56 -0.10 0.00 -2.33 0.00 0.00 43.42 40.10 3fwn n LEU 351 CO 0.76 -0.68 -0.11 0.21 -1.33 0.00 0.00 177.39 176.24 3fwn s ASN 352 N -0.95 5.45 0.25 -1.43 3.84 -1.26 -4.97 114.94 115.86 3fwn s ASN 352 Ca 0.72 -1.94 -0.02 0.00 0.21 0.00 0.00 52.86 51.83 3fwn s ASN 352 Cb -0.42 -1.91 0.30 0.00 -0.55 0.00 0.00 41.25 38.67 3fwn s ASN 352 CO 0.49 -0.60 1.72 1.88 -2.79 0.00 0.00 177.10 177.79 3fwn h TYR 353 N 8.23 0.83 -0.36 0.43 0.05 -1.93 -1.29 116.97 122.93 3fwn h TYR 353 Ca -0.17 -0.14 -0.09 0.00 0.05 0.00 0.00 58.73 58.38 3fwn h TYR 353 Cb 1.06 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 38.57 3fwn h TYR 353 CO 0.59 0.82 -0.15 0.78 -1.05 0.00 0.00 178.16 179.14 3fwn h GLY 354 N 0.97 0.71 1.55 3.88 0.00 -1.90 -0.01 103.07 108.28 3fwn h GLY 354 Ca 0.12 -0.54 -0.15 0.00 0.00 0.00 0.00 47.33 46.77 3fwn h GLY 354 CO 0.03 0.50 -0.52 0.83 0.00 0.00 0.00 176.54 177.37 3fwn h GLU 355 N 0.59 0.47 -0.31 4.80 5.08 -1.79 -1.09 114.58 122.33 3fwn h GLU 355 Ca 0.10 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 3fwn h GLU 355 Cb 0.60 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3fwn h GLU 355 CO 0.04 0.88 0.11 0.82 -1.00 0.00 0.00 179.01 179.86 3fwn h ILE 356 N 0.37 1.20 -0.95 3.13 2.04 -0.99 -2.02 117.51 120.29 3fwn h ILE 356 Ca 0.01 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.25 3fwn h ILE 356 Cb 1.04 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 38.09 3fwn h ILE 356 CO 0.09 0.21 0.59 0.00 0.00 0.00 0.00 178.15 179.05 3fwn h ALA 357 N 0.95 1.26 -0.85 1.87 0.00 -0.84 -2.40 119.26 119.24 3fwn h ALA 357 Ca 0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3fwn h ALA 357 Cb 0.22 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3fwn h ALA 357 CO -0.01 0.65 0.45 0.87 0.00 0.00 0.00 179.25 181.22 3fwn h LYS 358 N 1.30 1.19 0.00 0.00 1.57 -0.86 -1.70 116.57 118.07 3fwn h LYS 358 Ca 0.34 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3fwn h LYS 358 Cb -0.09 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 31.98 3fwn h LYS 358 CO -0.07 0.88 0.00 0.44 -0.57 0.00 0.00 179.45 180.13 3fwn n ILE 359 N -4.33 0.16 0.82 1.86 -5.35 -0.79 -2.42 119.36 109.31 3fwn n ILE 359 Ca 0.09 0.04 0.11 0.00 -0.27 0.00 0.00 62.75 62.72 3fwn n ILE 359 Cb 0.11 -0.62 0.29 0.00 -1.74 0.00 0.00 39.64 37.67 3fwn n ILE 359 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3fwn n PHE 360 N -1.24 0.32 0.23 4.28 3.72 -0.65 -4.24 117.46 119.88 3fwn n PHE 360 Ca 0.13 -0.16 0.12 0.00 -0.05 0.00 0.00 57.45 57.50 3fwn n PHE 360 Cb 0.18 0.00 0.42 0.00 -0.94 0.00 0.00 39.48 39.14 3fwn n PHE 360 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3fwn h ARG 361 N 3.36 0.00 -3.73 -1.08 3.08 -1.42 -3.32 114.38 111.27 3fwn h ARG 361 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 3fwn h ARG 361 Cb 0.74 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.70 3fwn h ARG 361 CO 0.00 0.11 -0.13 0.00 -1.07 0.00 0.00 179.97 178.87 3fwn s ALA 362 N -3.46 -0.06 0.00 0.04 0.00 -1.26 -4.03 121.76 112.99 3fwn s ALA 362 Ca 0.03 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.99 3fwn s ALA 362 Cb 0.08 1.08 0.00 0.00 0.00 0.00 0.00 23.12 24.28 3fwn s ALA 362 CO 0.62 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.95 3fwn n GLY 363 N -0.41 1.21 3.80 0.00 0.00 -1.26 -4.51 105.19 104.02 3fwn n GLY 363 Ca -0.01 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 3fwn n GLY 363 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwn h ILE 365 N -1.27 1.32 -0.25 0.00 1.08 -1.92 -2.70 117.51 113.77 3fwn h ILE 365 Ca -0.49 -1.57 0.00 0.00 -0.39 0.00 0.00 64.86 62.41 3fwn h ILE 365 Cb 1.30 1.72 0.00 0.00 -3.07 0.00 0.00 36.82 36.77 3fwn h ILE 365 CO 0.61 0.47 0.00 2.30 -0.69 0.00 0.00 178.15 180.84 3fwn n ILE 366 N -4.01 0.38 -1.61 -0.67 -5.35 -1.26 -4.26 119.36 102.59 3fwn n ILE 366 Ca -0.02 -0.35 -0.45 0.00 -0.27 0.00 0.00 62.75 61.66 3fwn n ILE 366 Cb 0.49 0.13 -0.02 0.00 -1.74 0.00 0.00 39.64 38.51 3fwn n ILE 366 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 3fwn n ARG 367 N 0.25 1.50 -3.60 6.28 1.85 -1.02 -4.82 116.66 117.10 3fwn n ARG 367 Ca 0.09 0.53 -0.04 0.00 -1.00 0.00 0.00 57.85 57.42 3fwn n ARG 367 Cb 0.24 -1.99 -0.03 0.00 -1.05 0.00 0.00 32.46 29.64 3fwn n ARG 367 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3fwn s ALA 368 N -0.76 -2.07 0.48 2.89 0.00 -1.26 -1.71 121.76 119.34 3fwn s ALA 368 Ca 0.62 1.64 0.29 0.00 0.00 0.00 0.00 51.96 54.52 3fwn s ALA 368 Cb -0.71 -0.36 1.63 0.00 0.00 0.00 0.00 23.12 23.69 3fwn s ALA 368 CO 0.57 -0.52 2.15 -0.56 0.00 0.00 0.00 175.76 177.40 3fwn h GLN 369 N 2.05 0.00 -1.01 0.00 3.07 -1.79 -2.18 115.11 115.25 3fwn h GLN 369 Ca -0.09 0.00 0.24 0.00 0.09 0.00 0.00 58.65 58.88 3fwn h GLN 369 Cb 1.17 0.00 -0.10 0.00 0.08 0.00 0.00 27.48 28.63 3fwn h GLN 369 CO 0.23 0.07 0.63 0.35 0.09 0.00 0.00 178.83 180.21 3fwn h PHE 370 N 0.00 0.80 0.00 0.06 3.57 -1.79 -0.09 116.94 119.49 3fwn h PHE 370 Ca -0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 3fwn h PHE 370 Cb 0.21 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.71 3fwn h PHE 370 CO 0.00 0.12 -0.12 -0.07 -2.23 0.00 0.00 178.31 176.01 3fwn h LEU 371 N 0.52 0.00 -0.82 0.59 -0.00 -1.75 -0.42 115.31 113.43 3fwn h LEU 371 Ca 0.58 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 58.34 3fwn h LEU 371 Cb 1.27 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.92 3fwn h LEU 371 CO -0.33 0.12 -0.48 -0.61 -0.00 0.00 0.00 178.44 177.14 3fwn h GLN 372 N 0.00 0.27 -0.35 1.13 5.75 -1.19 -0.41 115.11 120.31 3fwn h GLN 372 Ca -0.00 -0.14 -0.08 0.00 -0.15 0.00 0.00 58.65 58.28 3fwn h GLN 372 Cb 0.29 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.83 3fwn h GLN 372 CO 0.02 0.69 -0.11 0.87 -2.65 0.00 0.00 178.83 177.64 3fwn h LYS 373 N 0.21 0.59 -0.19 1.69 1.79 -1.15 0.23 116.57 119.74 3fwn h LYS 373 Ca 0.01 -0.18 -0.11 0.00 -2.18 0.00 0.00 60.65 58.19 3fwn h LYS 373 Cb 0.92 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.51 3fwn h LYS 373 CO 0.08 0.70 -0.32 0.82 -1.08 0.00 0.00 179.45 179.64 3fwn h ILE 374 N 0.55 1.34 -0.44 1.86 2.04 -1.30 -2.01 117.51 119.55 3fwn h ILE 374 Ca 0.10 -1.54 0.05 0.00 1.00 0.00 0.00 64.86 64.47 3fwn h ILE 374 Cb 0.51 1.87 -0.05 0.00 -0.74 0.00 0.00 36.82 38.42 3fwn h ILE 374 CO 0.03 0.47 0.18 0.74 0.00 0.00 0.00 178.15 179.57 3fwn h THR 375 N 0.21 0.89 -0.86 -0.27 2.02 -0.73 -2.12 112.91 112.06 3fwn h THR 375 Ca 0.01 -0.12 0.02 0.00 0.77 0.00 0.00 66.41 67.09 3fwn h THR 375 Cb 0.90 0.50 -0.05 0.00 -1.74 0.00 0.00 68.15 67.77 3fwn h THR 375 CO 0.07 0.07 0.56 0.44 0.37 0.00 0.00 175.52 177.03 3fwn h ASP 376 N 0.36 0.96 -0.72 4.18 3.32 -0.46 -0.78 116.42 123.28 3fwn h ASP 376 Ca 0.20 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.24 3fwn h ASP 376 Cb 0.17 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 3fwn h ASP 376 CO -0.19 0.68 0.47 0.00 -1.72 0.00 0.00 179.24 178.48 3fwn h ALA 377 N 1.33 0.91 0.00 3.45 0.00 -0.76 -2.10 119.26 122.09 3fwn h ALA 377 Ca 0.32 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 3fwn h ALA 377 Cb -0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 3fwn h ALA 377 CO -0.09 0.34 -0.67 1.88 0.00 0.00 0.00 179.25 180.71 3fwn h TYR 378 N 0.97 0.00 -0.65 0.00 -1.99 -1.06 -1.35 116.97 112.90 3fwn h TYR 378 Ca 0.26 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.96 3fwn h TYR 378 Cb -0.10 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.60 3fwn h TYR 378 CO -0.02 0.67 0.29 0.00 -0.00 0.00 0.00 178.16 179.10 3fwn h ALA 379 N 1.33 1.29 0.06 3.88 0.00 -0.54 -1.23 119.26 124.05 3fwn h ALA 379 Ca -0.01 -0.15 -0.24 0.00 0.00 0.00 0.00 54.91 54.52 3fwn h ALA 379 Cb 1.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3fwn h ALA 379 CO 0.09 0.54 -1.11 1.49 0.00 0.00 0.00 179.25 180.26 3fwn h GLU 380 N 0.92 0.14 -1.79 0.00 4.57 -1.27 -3.42 114.58 113.72 3fwn h GLU 380 Ca 0.22 -0.23 -0.38 0.00 -1.18 0.00 0.00 59.36 57.79 3fwn h GLU 380 Cb 0.13 0.08 -0.29 0.00 -0.16 0.00 0.00 28.75 28.52 3fwn h GLU 380 CO -0.03 1.10 -0.74 1.21 -1.18 0.00 0.00 179.01 179.38 3fwn s ASN 381 N -6.93 0.37 0.52 1.04 3.84 -0.52 -5.01 114.94 108.25 3fwn s ASN 381 Ca -0.02 -2.22 0.22 0.00 0.21 0.00 0.00 52.86 51.06 3fwn s ASN 381 Cb 0.09 0.62 1.33 0.00 -0.55 0.00 0.00 41.25 42.73 3fwn s ASN 381 CO 0.85 -0.15 2.02 -0.65 -2.79 0.00 0.00 177.10 176.38 3fwn h PRO 382 N 5.82 0.05 -0.56 0.43 0.11 -1.47 -2.08 132.00 134.29 3fwn h PRO 382 Ca 0.14 -0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.08 3fwn h PRO 382 Cb 1.02 -0.01 -0.10 0.00 0.11 0.00 0.00 31.00 32.02 3fwn h PRO 382 CO 0.20 0.03 0.15 1.04 -0.21 0.00 0.00 178.00 179.22 3fwn n GLN 383 N -4.42 3.19 -1.69 1.05 1.13 -1.26 -4.85 117.38 110.53 3fwn n GLN 383 Ca 0.07 -3.05 -0.41 0.00 -1.94 0.00 0.00 57.00 51.67 3fwn n GLN 383 Cb 0.49 -2.06 0.01 0.00 0.11 0.00 0.00 30.24 28.78 3fwn n GLN 383 CO 0.00 0.00 0.00 1.51 -1.44 0.00 0.00 177.06 177.13 3fwn n ILE 384 N -0.43 2.39 0.08 5.09 3.06 -0.78 -4.88 119.36 123.88 3fwn n ILE 384 Ca 0.35 -0.50 -0.08 0.00 -2.50 0.00 0.00 62.75 60.02 3fwn n ILE 384 Cb 1.22 -1.52 0.03 0.00 0.54 0.00 0.00 39.64 39.91 3fwn n ILE 384 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3fwn h ALA 385 N 2.16 0.61 -2.15 1.51 0.00 -1.94 -3.45 119.26 116.00 3fwn h ALA 385 Ca -0.47 -0.65 -0.04 0.00 0.00 0.00 0.00 54.91 53.75 3fwn h ALA 385 Cb 1.30 -0.07 -0.22 0.00 0.00 0.00 0.00 17.79 18.80 3fwn h ALA 385 CO 0.60 0.82 0.03 1.21 0.00 0.00 0.00 179.25 181.91 3fwn s ASN 386 N -6.94 -0.73 0.61 0.00 3.84 -1.26 -4.75 114.94 105.71 3fwn s ASN 386 Ca -0.04 1.34 0.32 0.00 0.21 0.00 0.00 52.86 54.69 3fwn s ASN 386 Cb 0.11 1.32 1.85 0.00 -0.55 0.00 0.00 41.25 43.98 3fwn s ASN 386 CO 0.82 -0.23 2.20 -0.07 -2.79 0.00 0.00 177.10 177.04 3fwn h LEU 387 N 5.62 0.00 -2.39 3.21 3.38 -1.88 -1.68 115.31 121.58 3fwn h LEU 387 Ca -0.29 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 3fwn h LEU 387 Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 3fwn h LEU 387 CO 0.12 0.00 -0.02 -0.07 0.09 0.00 0.00 178.44 178.55 3fwn h LEU 388 N 0.00 0.00 -0.18 1.67 3.38 -1.93 -1.76 115.31 116.49 3fwn h LEU 388 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3fwn h LEU 388 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3fwn h LEU 388 CO -0.00 0.02 0.00 0.18 0.09 0.00 0.00 178.44 178.73 3fwn n LEU 389 N -3.79 0.64 -4.76 1.67 4.77 -0.63 -3.40 117.00 111.49 3fwn n LEU 389 Ca -0.03 0.59 -0.40 0.00 -0.03 0.00 0.00 56.01 56.14 3fwn n LEU 389 Cb 0.11 -0.41 -0.04 0.00 -2.33 0.00 0.00 43.42 40.75 3fwn n LEU 389 CO 0.28 -0.26 0.81 0.00 -1.33 0.00 0.00 177.39 176.89 3fwn s ALA 390 N -3.14 3.34 0.30 -1.18 0.00 -0.66 -4.84 121.76 115.58 3fwn s ALA 390 Ca 0.09 0.92 0.05 0.00 0.00 0.00 0.00 51.96 53.03 3fwn s ALA 390 Cb 0.12 -3.34 0.76 0.00 0.00 0.00 0.00 23.12 20.66 3fwn s ALA 390 CO 0.52 -0.27 1.73 -1.35 0.00 0.00 0.00 175.76 176.40 3fwn h PRO 391 N 3.44 0.55 -0.33 0.00 0.11 -1.89 -1.01 132.00 132.87 3fwn h PRO 391 Ca -0.47 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 3fwn h PRO 391 Cb 1.22 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3fwn h PRO 391 CO 0.66 0.36 0.02 -0.92 -0.21 0.00 0.00 178.00 177.91 3fwn h TYR 392 N 0.56 0.62 -0.09 0.65 3.20 -1.93 -1.51 116.97 118.47 3fwn h TYR 392 Ca 0.58 -0.10 -0.16 0.00 3.14 0.00 0.00 58.73 62.19 3fwn h TYR 392 Cb 1.03 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 3fwn h TYR 392 CO -0.06 0.67 -0.63 0.74 -1.64 0.00 0.00 178.16 177.25 3fwn h PHE 393 N 0.39 0.44 -0.63 -3.82 0.04 -1.64 -1.63 116.94 110.09 3fwn h PHE 393 Ca 0.10 -0.17 -0.03 0.00 2.80 0.00 0.00 57.97 60.66 3fwn h PHE 393 Cb 0.41 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.46 3fwn h PHE 393 CO 0.03 0.88 0.27 0.87 -0.60 0.00 0.00 178.31 179.76 3fwn h LYS 394 N 0.25 0.93 -0.54 1.51 1.57 -1.14 -0.41 116.57 118.73 3fwn h LYS 394 Ca -0.01 -0.16 -0.12 0.00 -1.87 0.00 0.00 60.65 58.50 3fwn h LYS 394 Cb 1.16 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 3fwn h LYS 394 CO 0.10 0.77 -0.12 0.37 -0.57 0.00 0.00 179.45 180.00 3fwn h GLN 395 N 0.88 1.04 -0.72 3.15 5.75 -1.06 0.99 115.11 125.14 3fwn h GLN 395 Ca 0.21 -0.39 -0.05 0.00 -0.15 0.00 0.00 58.65 58.27 3fwn h GLN 395 Cb 0.17 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.63 3fwn h GLN 395 CO -0.02 1.08 0.26 0.82 -2.65 0.00 0.00 178.83 178.32 3fwn h ILE 396 N 0.92 1.25 -0.51 2.39 1.08 -0.97 -0.76 117.51 120.92 3fwn h ILE 396 Ca 0.14 -0.83 -0.07 0.00 -0.39 0.00 0.00 64.86 63.70 3fwn h ILE 396 Cb 0.69 0.45 -0.02 0.00 -3.07 0.00 0.00 36.82 34.87 3fwn h ILE 396 CO 0.05 0.33 0.03 0.00 -0.69 0.00 0.00 178.15 177.87 3fwn h ALA 397 N 1.12 1.09 -0.79 1.87 0.00 -0.77 0.23 119.26 122.02 3fwn h ALA 397 Ca 0.24 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3fwn h ALA 397 Cb 0.25 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3fwn h ALA 397 CO -0.01 0.58 0.52 -0.44 0.00 0.00 0.00 179.25 179.89 3fwn h ASP 398 N 0.78 0.88 0.75 0.00 3.45 -0.35 -2.10 116.42 119.84 3fwn h ASP 398 Ca 0.16 -0.02 -0.25 0.00 0.43 0.00 0.00 57.03 57.35 3fwn h ASP 398 Cb 0.43 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 38.97 3fwn h ASP 398 CO 0.02 0.63 -1.22 0.44 -1.57 0.00 0.00 179.24 177.53 3fwn h ASP 399 N 1.04 0.19 -0.01 6.45 3.32 -0.40 -3.38 116.42 123.64 3fwn h ASP 399 Ca 0.30 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3fwn h ASP 399 Cb -0.09 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.40 3fwn h ASP 399 CO -0.08 1.18 -0.58 -1.22 -1.72 0.00 0.00 179.24 176.82 3fwn n TYR 400 N -3.39 0.00 0.18 4.55 4.02 0.73 -4.52 117.16 118.73 3fwn n TYR 400 Ca -0.07 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.85 3fwn n TYR 400 Cb 0.99 0.00 0.38 0.00 -0.02 0.00 0.00 39.34 40.69 3fwn n TYR 400 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 176.86 175.29 3fwn h GLN 401 N 0.84 0.05 -0.53 -0.72 3.07 -1.55 -2.20 115.11 114.07 3fwn h GLN 401 Ca 0.00 -0.02 -0.08 0.00 0.09 0.00 0.00 58.65 58.65 3fwn h GLN 401 Cb 0.47 -0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.00 3fwn h GLN 401 CO 0.00 0.35 0.02 0.37 0.09 0.00 0.00 178.83 179.66 3fwn h GLN 402 N 0.05 0.89 -0.69 0.06 5.75 -1.85 0.60 115.11 119.92 3fwn h GLN 402 Ca 0.00 -0.25 -0.03 0.00 -0.15 0.00 0.00 58.65 58.23 3fwn h GLN 402 Cb 0.56 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.98 3fwn h GLN 402 CO 0.04 0.88 0.30 0.00 -2.65 0.00 0.00 178.83 177.40 3fwn h ALA 403 N 1.19 0.89 -0.59 3.38 0.00 -1.70 -0.07 119.26 122.35 3fwn h ALA 403 Ca 0.16 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3fwn h ALA 403 Cb 0.47 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3fwn h ALA 403 CO 0.02 0.48 0.26 1.25 0.00 0.00 0.00 179.25 181.26 3fwn h LEU 404 N 0.97 0.79 -0.67 0.00 5.85 -0.93 0.59 115.31 121.90 3fwn h LEU 404 Ca 0.23 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 3fwn h LEU 404 Cb 0.16 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3fwn h LEU 404 CO -0.02 0.72 0.29 0.03 -0.34 0.00 0.00 178.44 179.11 3fwn h ARG 405 N 0.81 0.99 -0.58 1.25 3.08 -0.61 -0.61 114.38 118.71 3fwn h ARG 405 Ca 0.20 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 3fwn h ARG 405 Cb 0.16 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 3fwn h ARG 405 CO -0.02 0.81 0.16 -0.44 -1.07 0.00 0.00 179.97 179.42 3fwn h ASP 406 N 0.95 0.82 -0.19 7.04 3.32 -0.55 -0.97 116.42 126.84 3fwn h ASP 406 Ca 0.23 -0.14 -0.10 0.00 0.02 0.00 0.00 57.03 57.04 3fwn h ASP 406 Cb 0.17 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 3fwn h ASP 406 CO -0.02 0.79 -0.27 0.58 -1.72 0.00 0.00 179.24 178.60 3fwn h VAL 407 N 0.85 1.34 -0.45 -1.35 2.07 -0.50 -0.87 116.25 117.34 3fwn h VAL 407 Ca 0.19 -1.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.23 3fwn h VAL 407 Cb 0.27 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 3fwn h VAL 407 CO -0.01 0.45 0.26 0.58 0.02 0.00 0.00 177.57 178.88 3fwn h VAL 408 N 0.17 1.15 -0.67 2.57 2.07 -1.05 -0.23 116.25 120.25 3fwn h VAL 408 Ca 0.02 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 3fwn h VAL 408 Cb 0.84 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3fwn h VAL 408 CO 0.06 0.15 0.23 0.00 0.02 0.00 0.00 177.57 178.03 3fwn h ALA 409 N 1.11 1.13 -0.26 1.67 0.00 -1.07 -0.79 119.26 121.06 3fwn h ALA 409 Ca 0.16 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3fwn h ALA 409 Cb 0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3fwn h ALA 409 CO -0.03 0.61 -0.05 -0.92 0.00 0.00 0.00 179.25 178.86 3fwn h TYR 410 N 0.99 0.55 -0.70 0.00 5.03 -0.95 -1.90 116.97 119.99 3fwn h TYR 410 Ca 0.22 -0.11 -0.03 0.00 2.58 0.00 0.00 58.73 61.39 3fwn h TYR 410 Cb 0.25 -0.14 -0.03 0.00 1.55 0.00 0.00 36.73 38.36 3fwn h TYR 410 CO 0.02 0.70 0.32 0.00 -1.32 0.00 0.00 178.16 177.88 3fwn h ALA 411 N 0.78 0.91 -0.45 1.82 0.00 -0.73 -0.90 119.26 120.69 3fwn h ALA 411 Ca 0.07 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3fwn h ALA 411 Cb 0.51 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3fwn h ALA 411 CO 0.02 0.49 -0.03 0.28 0.00 0.00 0.00 179.25 180.01 3fwn h VAL 412 N 0.99 1.24 -0.06 0.00 2.07 -1.09 0.23 116.25 119.63 3fwn h VAL 412 Ca 0.24 -1.02 -0.14 0.00 0.82 0.00 0.00 66.70 66.60 3fwn h VAL 412 Cb 0.14 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3fwn h VAL 412 CO -0.03 0.36 -0.59 1.56 0.02 0.00 0.00 177.57 178.89 3fwn h GLN 413 N 0.70 0.21 -0.01 1.57 1.08 -0.53 -3.19 115.11 114.94 3fwn h GLN 413 Ca 0.13 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3fwn h GLN 413 Cb 0.47 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 3fwn h GLN 413 CO 0.02 0.74 -0.42 0.44 -0.95 0.00 0.00 178.83 178.66 3fwn n ILE 414 N -3.88 0.00 -0.52 2.54 -5.35 -0.42 -4.80 119.36 106.94 3fwn n ILE 414 Ca -0.02 -0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 3fwn n ILE 414 Cb 0.61 0.76 0.00 0.00 -1.74 0.00 0.00 39.64 39.27 3fwn n ILE 414 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fwn n GLY 415 N 1.40 0.70 3.64 3.28 0.00 -0.01 -4.68 105.19 109.51 3fwn n GLY 415 Ca 0.10 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 3fwn n GLY 415 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fwn s ILE 416 N -2.00 5.11 0.22 -0.61 1.01 -0.71 -5.02 121.20 119.20 3fwn s ILE 416 Ca 0.00 0.85 -0.30 0.00 0.00 0.00 0.00 60.65 61.20 3fwn s ILE 416 Cb 0.00 -3.81 -0.09 0.00 0.01 0.00 0.00 42.46 38.57 3fwn s ILE 416 CO 0.00 0.14 1.33 -2.16 0.00 0.00 0.00 174.94 174.25 3fwn s PRO 417 N 1.96 4.37 -0.44 2.79 0.04 -1.26 -4.39 135.00 138.07 3fwn s PRO 417 Ca 0.21 2.10 0.08 0.00 0.04 0.00 0.00 61.00 63.44 3fwn s PRO 417 Cb -0.15 -3.17 0.28 0.00 0.04 0.00 0.00 34.50 31.49 3fwn s PRO 417 CO 0.09 -0.27 0.63 1.33 0.04 0.00 0.00 177.00 178.82 3fwn n VAL 418 N 2.44 0.17 -0.33 -0.36 0.24 -1.26 -4.93 118.33 114.30 3fwn n VAL 418 Ca 0.06 -4.44 -0.01 0.00 -2.04 0.00 0.00 64.34 57.90 3fwn n VAL 418 Cb 0.42 -1.57 0.12 0.00 -1.47 0.00 0.00 33.84 31.35 3fwn n VAL 418 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 3fwn h PRO 419 N 3.74 1.10 0.09 7.34 0.13 -1.95 -0.04 132.00 142.40 3fwn h PRO 419 Ca 0.10 -0.07 -0.27 0.00 -0.87 0.00 0.00 66.00 64.89 3fwn h PRO 419 Cb 0.84 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 3fwn h PRO 419 CO 0.55 0.73 -1.32 1.79 -0.23 0.00 0.00 178.00 179.53 3fwn h THR 420 N 1.13 1.39 -0.64 1.56 1.35 -1.90 -0.46 112.91 115.35 3fwn h THR 420 Ca 0.36 -3.03 -0.05 0.00 -0.55 0.00 0.00 66.41 63.14 3fwn h THR 420 Cb 0.01 2.83 -0.03 0.00 -1.73 0.00 0.00 68.15 69.22 3fwn h THR 420 CO -0.12 0.86 0.19 -0.26 -0.25 0.00 0.00 175.52 175.93 3fwn h PHE 421 N 0.05 1.01 -0.40 4.73 0.04 -1.93 -0.49 116.94 119.95 3fwn h PHE 421 Ca -0.15 -0.09 -0.02 0.00 2.80 0.00 0.00 57.97 60.50 3fwn h PHE 421 Cb 1.94 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 39.78 3fwn h PHE 421 CO 0.04 0.82 0.16 0.77 -0.60 0.00 0.00 178.31 179.50 3fwn h SER 422 N 0.95 0.56 -0.15 2.17 0.02 -0.98 -2.48 113.55 113.64 3fwn h SER 422 Ca 0.21 -0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 60.92 3fwn h SER 422 Cb 0.29 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 3fwn h SER 422 CO -0.01 0.58 -0.08 0.00 -1.14 0.00 0.00 176.83 176.18 3fwn h ALA 423 N 1.00 1.31 -0.45 3.77 0.00 -0.74 -1.75 119.26 122.40 3fwn h ALA 423 Ca 0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3fwn h ALA 423 Cb 0.20 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3fwn h ALA 423 CO -0.01 0.46 0.20 0.00 0.00 0.00 0.00 179.25 179.90 3fwn h ALA 424 N 1.47 0.58 -0.43 0.00 0.00 -0.82 -0.89 119.26 119.17 3fwn h ALA 424 Ca 0.09 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 3fwn h ALA 424 Cb 0.43 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3fwn h ALA 424 CO 0.02 0.16 -0.23 0.28 0.00 0.00 0.00 179.25 179.48 3fwn h VAL 425 N 0.58 1.27 -0.41 0.00 2.07 -1.16 -1.29 116.25 117.32 3fwn h VAL 425 Ca 0.15 -1.39 -0.09 0.00 0.82 0.00 0.00 66.70 66.20 3fwn h VAL 425 Cb 0.15 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3fwn h VAL 425 CO -0.02 0.47 -0.11 0.00 0.02 0.00 0.00 177.57 177.94 3fwn h ALA 426 N 0.83 1.06 -0.12 1.67 0.00 -1.22 -0.43 119.26 121.05 3fwn h ALA 426 Ca 0.09 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 3fwn h ALA 426 Cb 0.81 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3fwn h ALA 426 CO 0.07 0.58 -0.14 -0.92 0.00 0.00 0.00 179.25 178.84 3fwn h TYR 427 N 0.65 0.37 -0.67 0.00 3.20 -1.02 -0.76 116.97 118.74 3fwn h TYR 427 Ca 0.11 -0.12 0.04 0.00 3.14 0.00 0.00 58.73 61.90 3fwn h TYR 427 Cb 0.56 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 3fwn h TYR 427 CO 0.03 0.73 0.41 -0.92 -1.64 0.00 0.00 178.16 176.77 3fwn h TYR 428 N -0.10 0.76 0.00 -3.82 3.20 -1.01 0.18 116.97 116.19 3fwn h TYR 428 Ca 0.02 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3fwn h TYR 428 Cb 0.68 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.70 3fwn h TYR 428 CO 0.09 0.42 0.00 -0.44 -1.64 0.00 0.00 178.16 176.60 3fwn h ASP 429 N 0.79 0.00 0.27 -2.11 3.32 -1.03 -2.62 116.42 115.04 3fwn h ASP 429 Ca 0.28 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.99 3fwn h ASP 429 Cb 0.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3fwn h ASP 429 CO -0.12 0.00 -1.80 0.28 -1.72 0.00 0.00 179.24 175.88 3fwn h SER 430 N 0.00 0.39 -0.07 6.45 0.02 -0.31 -3.29 113.55 116.75 3fwn h SER 430 Ca 0.00 -0.72 -0.09 0.00 -0.84 0.00 0.00 61.79 60.14 3fwn h SER 430 Cb 0.71 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 3fwn h SER 430 CO 0.00 1.63 -0.22 0.22 -1.14 0.00 0.00 176.83 177.31 3fwn h TYR 431 N 0.07 0.53 -0.01 3.45 3.20 -0.64 -2.38 116.97 121.19 3fwn h TYR 431 Ca -0.35 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.42 3fwn h TYR 431 Cb 2.04 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 40.18 3fwn h TYR 431 CO 0.07 0.67 -0.00 2.89 -1.64 0.00 0.00 178.16 180.14 3fwn n ARG 432 N -4.14 1.56 -3.06 1.82 1.85 -0.99 -4.83 116.66 108.88 3fwn n ARG 432 Ca -0.00 -0.82 -0.42 0.00 -1.00 0.00 0.00 57.85 55.61 3fwn n ARG 432 Cb 0.39 -1.48 -0.06 0.00 -1.05 0.00 0.00 32.46 30.25 3fwn n ARG 432 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3fwn s ALA 433 N -2.00 3.50 0.32 2.89 0.00 -0.90 -4.93 121.76 120.65 3fwn s ALA 433 Ca 0.39 -0.65 0.07 0.00 0.00 0.00 0.00 51.96 51.77 3fwn s ALA 433 Cb 0.21 -3.19 0.56 0.00 0.00 0.00 0.00 23.12 20.70 3fwn s ALA 433 CO 0.34 -1.22 1.79 0.00 0.00 0.00 0.00 175.76 176.67 3fwn h ALA 434 N 8.28 1.25 -3.35 0.00 0.00 -1.88 -3.40 119.26 120.16 3fwn h ALA 434 Ca -0.26 -0.32 -0.59 0.00 0.00 0.00 0.00 54.91 53.75 3fwn h ALA 434 Cb 1.11 -0.10 -0.34 0.00 0.00 0.00 0.00 17.79 18.46 3fwn h ALA 434 CO 0.84 0.50 -0.84 0.08 0.00 0.00 0.00 179.25 179.83 3fwn s VAL 435 N -4.46 1.53 0.38 0.00 1.01 -1.26 -5.14 120.40 112.45 3fwn s VAL 435 Ca -0.05 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.31 3fwn s VAL 435 Cb 0.14 -1.36 -0.06 0.00 0.00 0.00 0.00 36.38 35.10 3fwn s VAL 435 CO 0.76 0.44 0.09 -0.76 0.00 0.00 0.00 175.10 175.63 3fwn s LEU 436 N 0.64 3.04 0.00 3.92 1.43 -1.26 -5.02 118.68 121.43 3fwn s LEU 436 Ca -0.14 -1.05 0.00 0.00 -1.03 0.00 0.00 54.13 51.91 3fwn s LEU 436 Cb -0.16 -1.36 0.00 0.00 0.03 0.00 0.00 46.19 44.70 3fwn s LEU 436 CO 0.04 -0.39 0.59 -0.81 0.23 0.00 0.00 176.35 176.02 3fwn n PRO 437 N -1.08 0.81 0.09 1.29 -0.04 -1.26 -3.39 135.00 131.42 3fwn n PRO 437 Ca -0.03 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.53 3fwn n PRO 437 Cb 0.64 -1.22 0.43 0.00 -0.04 0.00 0.00 33.50 33.30 3fwn n PRO 437 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fwn n ALA 438 N -0.18 1.62 -0.26 0.55 0.00 -1.26 -1.74 120.51 119.24 3fwn n ALA 438 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 53.44 53.46 3fwn n ALA 438 Cb 0.11 -1.33 0.14 0.00 0.00 0.00 0.00 19.45 18.38 3fwn n ALA 438 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 3fwn h ASN 439 N 0.00 1.00 -0.29 0.00 -1.07 -1.99 -0.28 115.58 112.94 3fwn h ASN 439 Ca 0.00 -0.10 -0.15 0.00 0.07 0.00 0.00 56.30 56.12 3fwn h ASN 439 Cb 0.31 -0.25 -0.01 0.00 -2.07 0.00 0.00 38.32 36.29 3fwn h ASN 439 CO 0.00 0.82 -0.37 0.25 0.07 0.00 0.00 177.43 178.20 3fwn h LEU 440 N 1.11 0.88 -0.50 6.14 5.85 -1.66 -1.36 115.31 125.77 3fwn h LEU 440 Ca 0.27 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 3fwn h LEU 440 Cb 0.07 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3fwn h LEU 440 CO -0.04 1.16 0.23 0.40 -0.34 0.00 0.00 178.44 179.85 3fwn h ILE 441 N 0.69 1.20 -0.56 4.05 2.04 -1.45 -0.32 117.51 123.16 3fwn h ILE 441 Ca 0.06 -0.57 -0.08 0.00 1.00 0.00 0.00 64.86 65.26 3fwn h ILE 441 Cb 0.94 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 3fwn h ILE 441 CO 0.09 0.22 0.02 1.56 0.00 0.00 0.00 178.15 180.04 3fwn h GLN 442 N 0.67 0.95 -0.86 2.37 1.08 -0.88 -1.11 115.11 117.33 3fwn h GLN 442 Ca 0.17 -0.27 -0.02 0.00 -1.45 0.00 0.00 58.65 57.08 3fwn h GLN 442 Cb 0.14 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.42 3fwn h GLN 442 CO -0.02 0.93 0.47 0.00 -0.95 0.00 0.00 178.83 179.26 3fwn h ALA 443 N 1.13 1.11 -0.26 3.87 0.00 -0.72 -1.18 119.26 123.22 3fwn h ALA 443 Ca 0.17 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3fwn h ALA 443 Cb 0.49 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3fwn h ALA 443 CO 0.02 0.61 -0.05 1.96 0.00 0.00 0.00 179.25 181.80 3fwn h GLN 444 N 1.20 0.48 -0.42 0.00 4.20 -0.55 0.23 115.11 120.26 3fwn h GLN 444 Ca 0.30 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 3fwn h GLN 444 Cb 0.03 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 3fwn h GLN 444 CO -0.05 0.69 0.20 0.00 -0.67 0.00 0.00 178.83 179.00 3fwn h ARG 445 N 0.24 0.57 -0.03 1.46 3.08 -1.08 0.82 114.38 119.44 3fwn h ARG 445 Ca 0.07 -0.06 -0.24 0.00 0.07 0.00 0.00 59.98 59.81 3fwn h ARG 445 Cb 0.50 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.45 3fwn h ARG 445 CO 0.02 0.45 -0.96 0.22 -1.07 0.00 0.00 179.97 178.64 3fwn h ASP 446 N 0.58 0.79 0.33 7.04 3.58 -0.73 0.30 116.42 128.31 3fwn h ASP 446 Ca 0.15 -0.61 -0.01 0.00 0.42 0.00 0.00 57.03 56.98 3fwn h ASP 446 Cb 0.07 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 40.88 3fwn h ASP 446 CO -0.02 1.40 -0.18 0.22 -2.88 0.00 0.00 179.24 177.78 3fwn h TYR 447 N 0.37 -0.47 0.00 0.28 -0.00 -0.07 -0.62 116.97 116.45 3fwn h TYR 447 Ca -0.10 -0.01 -0.12 0.00 -0.00 0.00 0.00 58.73 58.50 3fwn h TYR 447 Cb 1.60 0.16 -0.02 0.00 -0.00 0.00 0.00 36.73 38.47 3fwn h TYR 447 CO 0.08 -0.29 -1.16 0.27 -0.00 0.00 0.00 178.16 177.07 3fwn h PHE 448 N -0.47 0.00 0.00 -3.82 -5.15 -0.91 -3.39 116.94 103.19 3fwn h PHE 448 Ca -0.04 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.73 3fwn h PHE 448 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.55 3fwn h PHE 448 CO -0.07 0.45 0.00 0.41 -2.00 0.00 0.00 178.31 177.09 3fwn n GLY 449 N 1.32 0.60 3.98 6.09 0.00 0.07 -5.01 105.19 112.25 3fwn n GLY 449 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 3fwn n GLY 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fwn n ALA 450 N -0.23 -1.25 0.92 4.61 0.00 -0.24 -4.85 120.51 119.47 3fwn n ALA 450 Ca 0.00 0.13 0.10 0.00 0.00 0.00 0.00 53.44 53.68 3fwn n ALA 450 Cb 0.21 -4.13 0.51 0.00 0.00 0.00 0.00 19.45 16.04 3fwn n ALA 450 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3fwn n HIS 451 N -4.56 0.00 -0.56 0.00 8.25 -1.15 -4.96 115.22 112.25 3fwn n HIS 451 Ca 0.05 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.58 3fwn n HIS 451 Cb 0.51 -0.36 -0.04 0.00 1.12 0.00 0.00 29.99 31.23 3fwn n HIS 451 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3fwn n THR 452 N -1.36 -0.30 -3.95 1.59 -2.24 -1.26 -4.97 114.28 101.79 3fwn n THR 452 Ca 0.08 0.34 -0.09 0.00 -2.27 0.00 0.00 64.05 62.11 3fwn n THR 452 Cb 0.20 -0.52 -0.06 0.00 -2.10 0.00 0.00 70.33 67.85 3fwn n THR 452 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3fwn s TYR 453 N -3.31 0.33 0.30 4.78 1.13 0.10 -4.79 117.35 115.89 3fwn s TYR 453 Ca 0.00 -0.68 0.08 0.00 -1.41 0.00 0.00 57.07 55.06 3fwn s TYR 453 Cb 0.00 0.11 -0.04 0.00 -1.10 0.00 0.00 41.96 40.93 3fwn s TYR 453 CO 0.00 -0.87 0.12 0.15 -2.51 0.00 0.00 175.55 172.44 3fwn s LYS 454 N -3.98 2.49 0.20 -3.49 1.02 -1.26 -0.65 119.74 114.06 3fwn s LYS 454 Ca 0.19 -1.39 0.11 0.00 0.02 0.00 0.00 55.97 54.90 3fwn s LYS 454 Cb 0.01 -2.27 -0.04 0.00 -0.52 0.00 0.00 37.83 35.00 3fwn s LYS 454 CO 0.04 0.24 -0.20 1.03 -0.92 0.00 0.00 175.35 175.54 3fwn s ARG 455 N -3.81 1.68 0.07 1.68 0.52 -1.26 -4.98 118.95 112.86 3fwn s ARG 455 Ca 0.35 -1.48 0.25 0.00 -0.52 0.00 0.00 55.73 54.33 3fwn s ARG 455 Cb -0.05 -1.92 0.47 0.00 0.52 0.00 0.00 34.95 33.96 3fwn s ARG 455 CO 0.23 0.40 1.40 0.44 0.02 0.00 0.00 175.30 177.79 3fwn n ILE 456 N 0.11 0.22 0.57 1.52 -5.35 -1.26 -4.13 119.36 111.04 3fwn n ILE 456 Ca -0.11 -0.17 0.06 0.00 -0.27 0.00 0.00 62.75 62.26 3fwn n ILE 456 Cb 0.56 -0.04 -0.01 0.00 -1.74 0.00 0.00 39.64 38.41 3fwn n ILE 456 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3fwn n ASP 457 N -1.88 1.25 -3.78 7.28 3.85 -1.26 -5.02 116.55 117.00 3fwn n ASP 457 Ca 0.04 -1.12 -0.13 0.00 -0.71 0.00 0.00 54.79 52.87 3fwn n ASP 457 Cb 0.40 0.57 -0.09 0.00 -1.35 0.00 0.00 41.12 40.65 3fwn n ASP 457 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 3fwn s LYS 458 N -1.71 0.56 0.75 0.11 1.02 -1.26 -5.16 119.74 114.05 3fwn s LYS 458 Ca 0.09 -0.07 -0.12 0.00 0.02 0.00 0.00 55.97 55.89 3fwn s LYS 458 Cb 0.10 0.25 0.04 0.00 -0.52 0.00 0.00 37.83 37.71 3fwn s LYS 458 CO 0.36 -0.14 1.11 -1.21 -0.92 0.00 0.00 175.35 174.55 3fwn s GLU 459 N -0.97 2.47 0.00 1.68 0.41 -1.26 -4.14 118.70 116.89 3fwn s GLU 459 Ca -0.10 0.43 0.00 0.00 -0.41 0.00 0.00 54.97 54.89 3fwn s GLU 459 Cb -0.05 -1.98 0.00 0.00 -1.78 0.00 0.00 34.13 30.32 3fwn s GLU 459 CO 0.03 -1.30 0.00 0.41 -0.49 0.00 0.00 175.26 173.91 3fwn n GLY 460 N -2.83 1.05 3.39 -1.39 0.00 -1.26 -4.93 105.19 99.22 3fwn n GLY 460 Ca 0.07 -2.15 -0.33 0.00 0.00 0.00 0.00 46.02 43.61 3fwn n GLY 460 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fwn s VAL 461 N -1.37 2.84 0.19 1.61 1.01 -1.26 -4.33 120.40 119.09 3fwn s VAL 461 Ca 0.00 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.27 3fwn s VAL 461 Cb 0.00 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 3fwn s VAL 461 CO 0.00 0.56 -0.15 -0.36 0.00 0.00 0.00 175.10 175.16 3fwn s PHE 462 N -0.24 1.65 -0.06 5.22 0.40 0.18 -4.95 117.98 120.19 3fwn s PHE 462 Ca 0.00 -0.57 -0.05 0.00 -0.60 0.00 0.00 56.93 55.71 3fwn s PHE 462 Cb -0.13 -0.79 0.02 0.00 0.51 0.00 0.00 43.02 42.63 3fwn s PHE 462 CO 0.03 0.31 0.16 -1.58 0.70 0.00 0.00 175.22 174.84 3fwn s HIS 463 N -2.79 -0.17 0.02 0.36 2.46 -1.26 -0.72 115.29 113.18 3fwn s HIS 463 Ca 0.20 0.44 0.05 0.00 0.47 0.00 0.00 55.06 56.22 3fwn s HIS 463 Cb -0.02 0.03 -0.03 0.00 -0.13 0.00 0.00 32.58 32.44 3fwn s HIS 463 CO 0.06 -0.10 -0.14 0.99 -2.47 0.00 0.00 174.74 173.08 3fwn s THR 464 N 0.31 3.12 -0.75 0.89 2.01 -1.26 -5.05 115.64 114.91 3fwn s THR 464 Ca -0.02 -0.99 -0.20 0.00 0.31 0.00 0.00 61.69 60.79 3fwn s THR 464 Cb -0.03 -2.32 0.11 0.00 0.01 0.00 0.00 72.50 70.26 3fwn s THR 464 CO -0.01 0.38 0.95 -1.61 -0.69 0.00 0.00 174.62 173.64 3fwn s GLU 465 N -1.36 3.30 0.29 4.92 0.41 -1.26 -4.85 118.70 120.15 3fwn s GLU 465 Ca 0.15 -1.38 0.12 0.00 -0.41 0.00 0.00 54.97 53.45 3fwn s GLU 465 Cb -0.11 -4.50 0.42 0.00 -1.78 0.00 0.00 34.13 28.16 3fwn s GLU 465 CO 0.06 -1.71 1.64 -1.49 -0.49 0.00 0.00 175.26 173.27 3fwn h TRP 466 N 9.12 0.00 0.00 1.61 4.06 -1.93 -3.15 115.95 125.65 3fwn h TRP 466 Ca -0.11 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.84 3fwn h TRP 466 Cb 1.06 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.22 3fwn h TRP 466 CO 1.01 0.57 0.00 -0.07 -3.56 0.00 0.00 178.44 176.39 3fwn h LEU 467 N 0.00 0.00 -0.21 -4.49 3.38 -1.94 -3.53 115.31 108.51 3fwn h LEU 467 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3fwn h LEU 467 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3fwn h LEU 467 CO 0.07 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 177.70