#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jkv s PHE 2 N 0.00 2.37 0.13 1.12 0.40 -1.26 -5.15 117.98 115.59 1jkv s PHE 2 Ca 0.00 -0.33 0.07 0.00 -0.60 0.00 0.00 56.93 56.07 1jkv s PHE 2 Cb 0.00 -1.17 -0.04 0.00 0.51 0.00 0.00 43.02 42.32 1jkv s PHE 2 CO 0.00 0.50 -0.15 0.15 0.70 0.00 0.00 175.22 176.42 1jkv s LYS 3 N -2.69 1.10 -0.02 0.44 -0.14 -1.26 -5.17 119.74 112.00 1jkv s LYS 3 Ca 0.21 -1.29 0.06 0.00 -1.36 0.00 0.00 55.97 53.59 1jkv s LYS 3 Cb -0.08 -1.03 -0.01 0.00 -1.68 0.00 0.00 37.83 35.02 1jkv s LYS 3 CO 0.11 0.20 -0.20 -1.58 -0.76 0.00 0.00 175.35 173.12 1jkv s HIS 4 N -2.11 1.82 0.02 3.18 5.65 -1.26 -5.14 115.29 117.45 1jkv s HIS 4 Ca 0.11 -0.39 0.06 0.00 0.25 0.00 0.00 55.06 55.09 1jkv s HIS 4 Cb -0.05 -1.19 -0.03 0.00 -1.18 0.00 0.00 32.58 30.13 1jkv s HIS 4 CO 0.04 -0.07 -0.16 -0.08 -0.65 0.00 0.00 174.74 173.82 1jkv s THR 5 N -0.35 2.91 0.24 0.89 -1.32 -1.26 -5.03 115.64 111.72 1jkv s THR 5 Ca 0.05 -1.05 0.35 0.00 -1.21 0.00 0.00 61.69 59.83 1jkv s THR 5 Cb -0.09 -2.21 0.39 0.00 -1.51 0.00 0.00 72.50 69.08 1jkv s THR 5 CO 0.00 0.40 2.06 0.03 -2.21 0.00 0.00 174.62 174.90 1jkv h ARG 6 N 4.71 0.00 -6.54 7.08 2.47 -2.09 -3.43 114.38 116.58 1jkv h ARG 6 Ca -0.47 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 57.72 1jkv h ARG 6 Cb 1.15 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.49 1jkv h ARG 6 CO 0.49 0.02 0.64 0.15 0.56 0.00 0.00 179.97 181.83 1jkv s LYS 7 N -3.80 4.38 0.57 0.04 1.02 -1.26 -5.02 119.74 115.68 1jkv s LYS 7 Ca -0.00 1.94 -0.18 0.00 0.02 0.00 0.00 55.97 57.75 1jkv s LYS 7 Cb 0.10 -3.28 -0.04 0.00 -0.52 0.00 0.00 37.83 34.09 1jkv s LYS 7 CO 0.52 -0.32 1.10 -0.51 -0.92 0.00 0.00 175.35 175.22 1jkv s LEU 8 N 0.87 3.62 0.21 3.17 1.43 -1.26 -4.96 118.68 121.76 1jkv s LEU 8 Ca 0.61 2.02 -0.09 0.00 -1.03 0.00 0.00 54.13 55.63 1jkv s LEU 8 Cb -0.34 -4.56 0.25 0.00 0.03 0.00 0.00 46.19 41.57 1jkv s LEU 8 CO 0.31 -1.25 1.79 -0.61 0.23 0.00 0.00 176.35 176.82 1jkv h GLN 9 N 0.80 0.59 -3.73 1.70 4.15 -1.95 -3.45 115.11 113.22 1jkv h GLN 9 Ca -0.48 -0.04 -0.08 0.00 0.77 0.00 0.00 58.65 58.82 1jkv h GLN 9 Cb 1.24 -0.13 -0.13 0.00 0.21 0.00 0.00 27.48 28.67 1jkv h GLN 9 CO 0.57 0.39 -0.28 -0.47 -1.93 0.00 0.00 178.83 177.11 1jkv s TYR 10 N -6.09 0.16 0.30 3.99 5.04 -1.26 -5.14 117.35 114.34 1jkv s TYR 10 Ca -0.13 -0.54 -0.28 0.00 -2.44 0.00 0.00 57.07 53.68 1jkv s TYR 10 Cb 0.16 0.02 -0.14 0.00 0.35 0.00 0.00 41.96 42.36 1jkv s TYR 10 CO 0.75 -0.65 1.07 0.09 -1.34 0.00 0.00 175.55 175.47 1jkv n ASN 11 N -0.16 1.57 -2.77 4.32 3.02 -1.26 -4.95 115.26 115.04 1jkv n ASN 11 Ca -0.12 1.18 -0.03 0.00 -0.03 0.00 0.00 54.58 55.58 1jkv n ASN 11 Cb 0.63 -1.32 0.05 0.00 -0.61 0.00 0.00 39.78 38.53 1jkv n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jkv n ALA 12 N 0.29 2.80 -3.42 5.41 0.00 -1.26 -4.42 120.51 119.91 1jkv n ALA 12 Ca 0.09 -2.68 -0.32 0.00 0.00 0.00 0.00 53.44 50.53 1jkv n ALA 12 Cb 0.33 -0.90 -0.17 0.00 0.00 0.00 0.00 19.45 18.71 1jkv n ALA 12 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1jkv s LYS 13 N -3.16 3.04 0.58 0.00 2.20 -1.26 -3.52 119.74 117.62 1jkv s LYS 13 Ca 0.25 -0.86 -0.13 0.00 -0.36 0.00 0.00 55.97 54.87 1jkv s LYS 13 Cb 0.37 -2.37 -0.05 0.00 -1.51 0.00 0.00 37.83 34.27 1jkv s LYS 13 CO -0.02 0.09 1.01 -1.25 -0.36 0.00 0.00 175.35 174.82 1jkv s PRO 14 N 0.55 3.73 0.35 4.03 0.04 -1.26 -4.23 135.00 138.21 1jkv s PRO 14 Ca -0.13 0.84 0.09 0.00 0.04 0.00 0.00 61.00 61.83 1jkv s PRO 14 Cb -0.17 -2.10 0.66 0.00 0.04 0.00 0.00 34.50 32.93 1jkv s PRO 14 CO 0.04 -0.46 1.83 -0.44 0.04 0.00 0.00 177.00 178.01 1jkv h ASP 15 N 0.17 0.20 -5.08 6.66 3.32 -1.91 -3.47 116.42 116.31 1jkv h ASP 15 Ca -0.45 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 56.51 1jkv h ASP 15 Cb 1.19 -0.05 -0.11 0.00 0.22 0.00 0.00 39.33 40.57 1jkv h ASP 15 CO 0.62 0.47 0.00 0.00 -1.72 0.00 0.00 179.24 178.61 1jkv s ARG 16 N -4.43 1.28 0.70 3.56 1.70 -1.26 -5.07 118.95 115.42 1jkv s ARG 16 Ca -0.05 -0.80 -0.13 0.00 -0.47 0.00 0.00 55.73 54.29 1jkv s ARG 16 Cb 0.15 0.51 0.02 0.00 -0.57 0.00 0.00 34.95 35.05 1jkv s ARG 16 CO 0.74 -0.53 1.10 -1.54 -1.08 0.00 0.00 175.30 173.99 1jkv s SER 17 N -2.85 4.90 -0.32 -2.89 1.04 -1.26 -4.84 113.70 107.48 1jkv s SER 17 Ca 0.07 1.91 -0.07 0.00 0.48 0.00 0.00 55.95 58.33 1jkv s SER 17 Cb -0.00 -2.54 0.19 0.00 0.10 0.00 0.00 66.02 63.77 1jkv s SER 17 CO -0.06 -1.77 0.97 -0.62 0.98 0.00 0.00 173.24 172.74 1jkv s ASP 18 N -2.97 -0.57 0.31 7.02 -1.08 -0.29 -5.05 116.67 114.05 1jkv s ASP 18 Ca 0.64 -0.12 0.26 0.00 -0.52 0.00 0.00 52.55 52.81 1jkv s ASP 18 Cb -0.19 1.01 1.01 0.00 -1.46 0.00 0.00 42.92 43.29 1jkv s ASP 18 CO 0.48 -0.08 1.77 1.55 0.52 0.00 0.00 175.17 179.40 1jkv h PRO 19 N 6.46 0.00 -0.07 4.34 0.13 -1.93 -1.78 132.00 139.16 1jkv h PRO 19 Ca -0.05 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.94 1jkv h PRO 19 Cb 1.20 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 1jkv h PRO 19 CO -0.05 0.00 -0.50 0.82 -0.23 0.00 0.00 178.00 178.04 1jkv h ILE 20 N 0.00 1.39 -0.43 -3.56 1.08 -1.90 -2.33 117.51 111.77 1jkv h ILE 20 Ca 0.00 -1.89 -0.07 0.00 -0.39 0.00 0.00 64.86 62.51 1jkv h ILE 20 Cb 0.47 2.34 -0.02 0.00 -3.07 0.00 0.00 36.82 36.55 1jkv h ILE 20 CO 0.00 0.56 -0.02 -0.03 -0.69 0.00 0.00 178.15 177.97 1jkv h MET 21 N 0.01 0.70 -0.54 2.37 4.05 -1.85 -1.69 114.93 117.97 1jkv h MET 21 Ca -0.04 -0.19 0.05 0.00 -0.28 0.00 0.00 59.70 59.24 1jkv h MET 21 Cb 1.17 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 31.84 1jkv h MET 21 CO 0.10 0.73 0.27 0.00 0.23 0.00 0.00 176.91 178.24 1jkv h ALA 22 N 1.32 0.70 -0.57 0.39 0.00 -1.28 -1.05 119.26 118.77 1jkv h ALA 22 Ca 0.13 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1jkv h ALA 22 Cb 0.44 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1jkv h ALA 22 CO 0.02 -0.09 0.30 -0.09 0.00 0.00 0.00 179.25 179.39 1jkv h ARG 23 N 0.51 0.81 -0.57 0.00 2.43 -1.00 -2.73 114.38 113.83 1jkv h ARG 23 Ca 0.25 -0.10 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 1jkv h ARG 23 Cb 0.18 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 1jkv h ARG 23 CO -0.18 0.64 0.34 0.00 -1.51 0.00 0.00 179.97 179.25 1jkv h ARG 24 N 0.78 0.64 0.00 0.20 3.08 -0.80 -2.48 114.38 115.79 1jkv h ARG 24 Ca 0.20 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1jkv h ARG 24 Cb 0.07 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1jkv h ARG 24 CO -0.03 0.42 0.00 -0.07 -1.07 0.00 0.00 179.97 179.22 1jkv h LEU 25 N 0.66 0.00 -2.23 3.04 3.38 -0.93 -1.18 115.31 118.05 1jkv h LEU 25 Ca 0.24 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.26 1jkv h LEU 25 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1jkv h LEU 25 CO -0.12 0.00 0.19 1.56 0.09 0.00 0.00 178.44 180.16 1jkv h GLN 26 N 0.00 0.00 -0.74 1.13 1.08 -1.15 -1.16 115.11 114.27 1jkv h GLN 26 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1jkv h GLN 26 Cb 0.26 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.65 1jkv h GLN 26 CO 0.00 0.00 0.46 1.49 -0.95 0.00 0.00 178.83 179.83 1jkv h GLU 27 N 0.00 0.99 0.00 1.46 4.57 -1.38 0.11 114.58 120.34 1jkv h GLU 27 Ca 0.08 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1jkv h GLU 27 Cb 0.46 -0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1jkv h GLU 27 CO -0.00 0.69 -0.10 0.77 -1.18 0.00 0.00 179.01 179.19 1jkv h SER 28 N 1.01 0.00 0.00 1.04 0.02 -1.41 -0.83 113.55 113.37 1jkv h SER 28 Ca 0.27 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.21 1jkv h SER 28 Cb -0.06 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 1jkv h SER 28 CO -0.05 0.10 -0.60 -0.11 -1.14 0.00 0.00 176.83 175.03 1jkv n LEU 29 N -3.20 1.82 -0.81 5.07 7.94 -1.02 -0.52 117.00 126.29 1jkv n LEU 29 Ca 0.01 0.60 0.09 0.00 -1.11 0.00 0.00 56.01 55.60 1jkv n LEU 29 Cb 0.41 -0.86 0.14 0.00 0.53 0.00 0.00 43.42 43.63 1jkv n LEU 29 CO 0.31 -0.42 0.59 0.61 -1.11 0.00 0.00 177.39 177.37 1jkv n GLY 30 N 1.59 1.24 3.93 -3.96 0.00 0.37 -3.63 105.19 104.74 1jkv n GLY 30 Ca -0.09 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.15 1jkv n GLY 30 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jkv s GLY 31 N -1.26 1.68 0.23 -0.02 0.00 -0.32 -3.68 107.32 103.96 1jkv s GLY 31 Ca 0.26 -0.91 -0.16 0.00 0.00 0.00 0.00 44.72 43.91 1jkv s GLY 31 CO 0.23 -0.55 1.58 -1.61 0.00 0.00 0.00 173.10 172.74 1jkv h GLN 32 N -0.42 -0.05 -0.43 2.90 4.15 -1.96 -2.25 115.11 117.06 1jkv h GLN 32 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.98 1jkv h GLN 32 Cb 1.30 0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.00 1jkv h GLN 32 CO 0.59 -0.03 0.00 0.91 -1.93 0.00 0.00 178.83 178.37 1jkv n TRP 33 N -5.49 1.10 -1.08 3.99 7.02 -1.26 -4.78 117.44 116.93 1jkv n TRP 33 Ca 0.09 -0.69 0.00 0.00 -1.02 0.00 0.00 57.50 55.88 1jkv n TRP 33 Cb 0.40 -0.24 0.00 0.00 -2.42 0.00 0.00 31.31 29.05 1jkv n TRP 33 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1jkv n GLY 34 N 0.34 -0.89 0.18 6.99 0.00 -0.85 -4.34 105.19 106.62 1jkv n GLY 34 Ca 0.21 -1.70 0.01 0.00 0.00 0.00 0.00 46.02 44.54 1jkv n GLY 34 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jkv h GLU 35 N 0.00 0.05 -0.42 1.61 4.39 -1.00 -1.96 114.58 117.25 1jkv h GLU 35 Ca 0.00 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.56 1jkv h GLU 35 Cb 0.00 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1jkv h GLU 35 CO 0.00 0.48 -0.21 1.15 -1.16 0.00 0.00 179.01 179.27 1jkv h THR 36 N 0.04 1.28 -0.50 1.13 2.02 -1.77 0.03 112.91 115.15 1jkv h THR 36 Ca 0.00 -1.36 0.04 0.00 0.77 0.00 0.00 66.41 65.86 1jkv h THR 36 Cb 0.79 1.26 -0.04 0.00 -1.74 0.00 0.00 68.15 68.42 1jkv h THR 36 CO 0.06 0.46 0.27 0.74 0.37 0.00 0.00 175.52 177.41 1jkv h THR 37 N 0.70 0.99 -0.23 3.16 2.02 -1.64 -0.85 112.91 117.05 1jkv h THR 37 Ca 0.09 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1jkv h THR 37 Cb 0.77 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1jkv h THR 37 CO 0.06 0.10 0.10 1.23 0.37 0.00 0.00 175.52 177.38 1jkv h GLY 38 N 0.52 0.36 0.48 2.16 0.00 -1.18 -0.65 103.07 104.76 1jkv h GLY 38 Ca 0.21 -0.19 0.03 0.00 0.00 0.00 0.00 47.33 47.38 1jkv h GLY 38 CO -0.13 0.18 -0.25 1.98 0.00 0.00 0.00 176.54 178.31 1jkv h MET 39 N 0.24 -0.40 -0.15 4.80 -1.53 -0.84 -0.76 114.93 116.29 1jkv h MET 39 Ca 0.08 0.03 -0.16 0.00 -3.44 0.00 0.00 59.70 56.21 1jkv h MET 39 Cb 0.14 0.09 -0.01 0.00 -0.55 0.00 0.00 31.60 31.27 1jkv h MET 39 CO -0.01 -0.27 -0.57 0.52 0.14 0.00 0.00 176.91 176.72 1jkv h MET 40 N -0.42 0.47 -0.17 0.39 2.86 -1.15 -1.89 114.93 115.02 1jkv h MET 40 Ca 0.05 -0.30 -0.02 0.00 -2.06 0.00 0.00 59.70 57.36 1jkv h MET 40 Cb 0.48 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 1jkv h MET 40 CO -0.19 0.91 0.02 0.77 1.06 0.00 0.00 176.91 179.48 1jkv h SER 41 N 0.36 0.27 -0.18 1.22 0.02 -0.94 -1.60 113.55 112.70 1jkv h SER 41 Ca 0.00 -0.27 -0.22 0.00 -0.84 0.00 0.00 61.79 60.47 1jkv h SER 41 Cb 1.11 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 63.58 1jkv h SER 41 CO 0.10 0.47 -0.73 1.88 -1.14 0.00 0.00 176.83 177.41 1jkv h TYR 42 N 0.06 1.08 -0.50 3.45 0.05 -1.11 -1.06 116.97 118.94 1jkv h TYR 42 Ca 0.05 -0.46 -0.02 0.00 0.05 0.00 0.00 58.73 58.35 1jkv h TYR 42 Cb 0.32 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.86 1jkv h TYR 42 CO 0.02 1.29 0.22 -0.07 -1.05 0.00 0.00 178.16 178.58 1jkv h LEU 43 N 0.57 0.67 -0.17 3.88 3.38 -1.42 -0.20 115.31 122.02 1jkv h LEU 43 Ca -0.04 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1jkv h LEU 43 Cb 1.36 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1jkv h LEU 43 CO 0.15 0.63 0.11 0.28 0.09 0.00 0.00 178.44 179.70 1jkv h SER 44 N 0.67 0.20 -0.78 -0.43 0.02 -1.13 0.06 113.55 112.16 1jkv h SER 44 Ca 0.17 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.08 1jkv h SER 44 Cb 0.15 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.61 1jkv h SER 44 CO -0.02 0.15 0.37 1.56 -1.14 0.00 0.00 176.83 177.75 1jkv h GLN 45 N 0.23 1.12 -0.24 3.45 4.20 -1.13 -1.61 115.11 121.13 1jkv h GLN 45 Ca 0.06 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 1jkv h GLN 45 Cb -0.02 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 1jkv h GLN 45 CO -0.01 0.87 0.03 0.78 -0.67 0.00 0.00 178.83 179.83 1jkv h GLY 46 N 1.10 0.44 1.41 3.46 0.00 -0.74 -1.94 103.07 106.80 1jkv h GLY 46 Ca 0.27 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 1jkv h GLY 46 CO -0.03 0.28 0.27 1.49 0.00 0.00 0.00 176.54 178.54 1jkv h TRP 47 N 0.21 0.75 0.00 5.60 6.55 -0.89 -2.87 115.95 125.30 1jkv h TRP 47 Ca 0.07 -0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.89 1jkv h TRP 47 Cb 0.34 -0.24 0.00 0.00 -0.86 0.00 0.00 29.16 28.40 1jkv h TRP 47 CO 0.02 0.55 0.00 0.00 -1.05 0.00 0.00 178.44 177.97 1jkv n ALA 48 N -2.45 2.27 -2.46 1.49 0.00 -0.61 -4.85 120.51 113.89 1jkv n ALA 48 Ca 0.05 -0.10 -0.41 0.00 0.00 0.00 0.00 53.44 52.98 1jkv n ALA 48 Cb 0.12 -1.45 -0.04 0.00 0.00 0.00 0.00 19.45 18.08 1jkv n ALA 48 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jkv s SER 49 N -2.96 7.34 -0.05 0.00 0.15 -0.75 -4.91 113.70 112.51 1jkv s SER 49 Ca 0.15 1.61 0.13 0.00 0.70 0.00 0.00 55.95 58.54 1jkv s SER 49 Cb 0.18 -2.54 0.40 0.00 -1.71 0.00 0.00 66.02 62.35 1jkv s SER 49 CO 0.49 -0.10 1.33 0.35 1.20 0.00 0.00 173.24 176.51 1jkv n THR 50 N 3.19 1.38 -1.37 6.45 -2.24 -1.26 -5.03 114.28 115.39 1jkv n THR 50 Ca 0.02 -1.23 0.00 0.00 -2.27 0.00 0.00 64.05 60.56 1jkv n THR 50 Cb 0.50 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 1jkv n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jkv n GLY 51 N 0.33 2.27 3.66 3.38 0.00 -1.26 -5.03 105.19 108.53 1jkv n GLY 51 Ca 0.15 -1.93 -0.46 0.00 0.00 0.00 0.00 46.02 43.78 1jkv n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jkv n ALA 52 N -3.00 0.91 0.27 4.61 0.00 -1.26 -4.81 120.51 117.23 1jkv n ALA 52 Ca 0.00 0.44 0.12 0.00 0.00 0.00 0.00 53.44 53.99 1jkv n ALA 52 Cb 0.00 -2.27 0.76 0.00 0.00 0.00 0.00 19.45 17.93 1jkv n ALA 52 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1jkv h GLU 53 N 4.92 0.00 -0.53 0.00 4.39 -1.98 -1.99 114.58 119.39 1jkv h GLU 53 Ca -0.45 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.33 1jkv h GLU 53 Cb 1.28 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.86 1jkv h GLU 53 CO 0.81 0.05 0.17 -0.22 -1.16 0.00 0.00 179.01 178.66 1jkv h LYS 54 N 0.00 0.33 0.20 2.33 3.64 -1.99 -0.20 116.57 120.87 1jkv h LYS 54 Ca -0.00 -0.02 -0.34 0.00 -1.27 0.00 0.00 60.65 59.02 1jkv h LYS 54 Cb 0.10 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1jkv h LYS 54 CO 0.01 0.22 -1.68 1.88 -2.27 0.00 0.00 179.45 177.61 1jkv h TYR 55 N 0.34 0.75 -0.06 1.91 0.05 -1.81 -2.76 116.97 115.40 1jkv h TYR 55 Ca 0.26 -0.55 0.02 0.00 0.05 0.00 0.00 58.73 58.51 1jkv h TYR 55 Cb 0.31 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.01 1jkv h TYR 55 CO -0.18 1.65 -0.03 -0.22 -1.05 0.00 0.00 178.16 178.33 1jkv h LYS 56 N 0.08 -0.02 -0.70 4.88 3.64 -1.30 -1.35 116.57 121.80 1jkv h LYS 56 Ca -0.33 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.03 1jkv h LYS 56 Cb 2.09 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.88 1jkv h LYS 56 CO 0.19 -0.02 0.32 0.22 -2.27 0.00 0.00 179.45 177.89 1jkv h ASP 57 N -0.02 0.93 -0.69 4.20 3.58 -1.18 -2.25 116.42 120.99 1jkv h ASP 57 Ca 0.04 -0.15 0.08 0.00 0.42 0.00 0.00 57.03 57.42 1jkv h ASP 57 Cb 0.08 -0.24 -0.07 0.00 1.72 0.00 0.00 39.33 40.82 1jkv h ASP 57 CO -0.08 0.82 0.35 0.25 -2.88 0.00 0.00 179.24 177.70 1jkv h LEU 58 N 0.98 0.48 -0.50 2.28 5.85 -1.18 0.11 115.31 123.33 1jkv h LEU 58 Ca 0.24 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 1jkv h LEU 58 Cb 0.15 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1jkv h LEU 58 CO -0.03 0.28 0.20 -0.07 -0.34 0.00 0.00 178.44 178.49 1jkv h LEU 59 N 0.62 0.68 -0.40 2.25 3.38 -1.04 -0.93 115.31 119.87 1jkv h LEU 59 Ca 0.33 -0.17 -0.18 0.00 0.09 0.00 0.00 57.88 57.96 1jkv h LEU 59 Cb 0.31 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1jkv h LEU 59 CO -0.24 0.66 -0.61 -0.07 0.09 0.00 0.00 178.44 178.27 1jkv h LEU 60 N 0.66 0.73 -0.22 1.67 3.38 -1.06 0.85 115.31 121.33 1jkv h LEU 60 Ca 0.17 -0.42 0.03 0.00 0.09 0.00 0.00 57.88 57.75 1jkv h LEU 60 Cb 0.19 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1jkv h LEU 60 CO -0.01 1.17 0.03 0.44 0.09 0.00 0.00 178.44 180.16 1jkv h ASP 61 N 0.48 -0.02 -0.02 -0.43 3.32 -0.66 -2.08 116.42 117.02 1jkv h ASP 61 Ca -0.00 0.04 -0.26 0.00 0.02 0.00 0.00 57.03 56.83 1jkv h ASP 61 Cb 1.18 0.06 0.02 0.00 0.22 0.00 0.00 39.33 40.81 1jkv h ASP 61 CO 0.12 0.02 -0.98 0.74 -1.72 0.00 0.00 179.24 177.42 1jkv h THR 62 N 0.12 1.28 -0.98 0.35 2.02 -1.02 -2.02 112.91 112.65 1jkv h THR 62 Ca 0.10 -2.19 0.04 0.00 0.77 0.00 0.00 66.41 65.13 1jkv h THR 62 Cb 0.11 2.29 -0.06 0.00 -1.74 0.00 0.00 68.15 68.75 1jkv h THR 62 CO -0.15 0.68 0.64 1.23 0.37 0.00 0.00 175.52 178.30 1jkv h GLY 63 N 0.48 1.43 1.01 2.16 0.00 -0.83 0.13 103.07 107.46 1jkv h GLY 63 Ca -0.11 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 46.64 1jkv h GLY 63 CO 0.19 0.42 -0.08 -0.84 0.00 0.00 0.00 176.54 176.24 1jkv h THR 64 N 1.25 1.27 -0.78 4.70 2.02 -1.28 -2.70 112.91 117.39 1jkv h THR 64 Ca 0.39 -1.18 0.06 0.00 0.77 0.00 0.00 66.41 66.45 1jkv h THR 64 Cb -0.01 1.10 -0.06 0.00 -1.74 0.00 0.00 68.15 67.44 1jkv h THR 64 CO -0.12 0.40 0.47 -0.08 0.37 0.00 0.00 175.52 176.56 1jkv h GLU 65 N 0.70 0.83 0.00 6.66 4.81 -0.83 -2.37 114.58 124.38 1jkv h GLU 65 Ca 0.12 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1jkv h GLU 65 Cb 0.61 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 1jkv h GLU 65 CO 0.04 0.55 -0.08 0.93 -0.73 0.00 0.00 179.01 179.72 1jkv h GLU 66 N 0.85 0.00 -0.66 1.92 4.39 -0.68 0.06 114.58 120.47 1jkv h GLU 66 Ca 0.34 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.02 1jkv h GLU 66 Cb 0.18 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 1jkv h GLU 66 CO -0.18 0.08 0.33 0.52 -1.16 0.00 0.00 179.01 178.60 1jkv h MET 67 N 0.00 0.92 -0.54 2.33 2.86 -1.14 0.01 114.93 119.36 1jkv h MET 67 Ca -0.00 -0.11 -0.04 0.00 -2.06 0.00 0.00 59.70 57.48 1jkv h MET 67 Cb 0.15 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 1jkv h MET 67 CO 0.01 0.70 0.16 0.00 1.06 0.00 0.00 176.91 178.84 1jkv h ALA 68 N 1.44 1.26 -0.36 6.32 0.00 -0.97 -1.80 119.26 125.15 1jkv h ALA 68 Ca 0.23 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1jkv h ALA 68 Cb 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1jkv h ALA 68 CO -0.03 0.53 -0.39 0.45 0.00 0.00 0.00 179.25 179.80 1jkv h HIS 69 N 0.79 1.04 -0.51 0.00 -0.00 -0.88 -1.31 115.15 114.30 1jkv h HIS 69 Ca 0.18 -0.31 0.08 0.00 -0.00 0.00 0.00 60.37 60.31 1jkv h HIS 69 Cb 0.25 -0.22 -0.06 0.00 -0.00 0.00 0.00 27.41 27.38 1jkv h HIS 69 CO 0.01 1.12 0.16 0.28 -0.00 0.00 0.00 177.93 179.50 1jkv h VAL 70 N 0.71 0.79 -0.60 2.45 2.07 -0.86 0.09 116.25 120.90 1jkv h VAL 70 Ca 0.06 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1jkv h VAL 70 Cb 0.97 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1jkv h VAL 70 CO 0.09 0.06 0.38 -0.08 0.02 0.00 0.00 177.57 178.04 1jkv h GLU 71 N 0.32 0.80 -0.28 1.57 4.81 -1.15 -0.88 114.58 119.77 1jkv h GLU 71 Ca 0.25 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1jkv h GLU 71 Cb 0.29 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1jkv h GLU 71 CO -0.27 0.54 0.13 0.52 -0.73 0.00 0.00 179.01 179.20 1jkv h MET 72 N 0.81 0.40 -0.48 1.92 2.86 -0.71 -1.31 114.93 118.42 1jkv h MET 72 Ca 0.22 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.74 1jkv h MET 72 Cb -0.07 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 1jkv h MET 72 CO -0.04 0.40 0.10 0.82 1.06 0.00 0.00 176.91 179.25 1jkv h ILE 73 N 0.31 1.24 -0.41 -1.22 1.08 -0.81 0.16 117.51 117.87 1jkv h ILE 73 Ca 0.09 -0.86 0.07 0.00 -0.39 0.00 0.00 64.86 63.77 1jkv h ILE 73 Cb 0.14 0.89 -0.06 0.00 -3.07 0.00 0.00 36.82 34.72 1jkv h ILE 73 CO -0.01 0.31 0.06 -1.28 -0.69 0.00 0.00 178.15 176.53 1jkv h SER 74 N 0.65 -0.05 -0.11 1.72 0.87 -1.10 -0.45 113.55 115.09 1jkv h SER 74 Ca 0.15 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1jkv h SER 74 Cb 0.35 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1jkv h SER 74 CO 0.00 0.01 0.07 0.74 -0.53 0.00 0.00 176.83 177.12 1jkv h THR 75 N 0.18 1.07 -0.57 2.23 2.02 -0.92 -1.70 112.91 115.22 1jkv h THR 75 Ca 0.20 -0.19 0.06 0.00 0.77 0.00 0.00 66.41 67.25 1jkv h THR 75 Cb 0.26 1.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.61 1jkv h THR 75 CO -0.28 0.07 0.28 -0.03 0.37 0.00 0.00 175.52 175.92 1jkv h MET 76 N 0.11 0.51 -0.57 6.66 -1.53 -0.72 -0.82 114.93 118.56 1jkv h MET 76 Ca 0.04 -0.03 0.00 0.00 -3.44 0.00 0.00 59.70 56.27 1jkv h MET 76 Cb 0.05 -0.12 -0.03 0.00 -0.55 0.00 0.00 31.60 30.95 1jkv h MET 76 CO -0.01 0.34 0.37 0.82 0.14 0.00 0.00 176.91 178.57 1jkv h ILE 77 N 0.53 1.16 -0.62 1.77 2.04 -0.88 -0.40 117.51 121.10 1jkv h ILE 77 Ca 0.26 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1jkv h ILE 77 Cb 0.21 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 1jkv h ILE 77 CO -0.20 0.15 0.40 1.23 0.00 0.00 0.00 178.15 179.73 1jkv h GLY 78 N 0.77 0.89 1.00 5.37 0.00 -0.65 -1.26 103.07 109.19 1jkv h GLY 78 Ca 0.21 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 1jkv h GLY 78 CO -0.04 0.34 0.37 -0.97 0.00 0.00 0.00 176.54 176.23 1jkv h TYR 79 N 0.84 0.85 0.00 5.60 0.05 -0.95 -2.85 116.97 120.51 1jkv h TYR 79 Ca 0.23 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.97 1jkv h TYR 79 Cb -0.07 -0.28 -0.00 0.00 1.01 0.00 0.00 36.73 37.39 1jkv h TYR 79 CO -0.03 0.59 -0.14 -0.07 -1.05 0.00 0.00 178.16 177.47 1jkv h LEU 80 N 0.86 0.00 -0.27 3.88 3.38 -0.50 -2.15 115.31 120.52 1jkv h LEU 80 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1jkv h LEU 80 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1jkv h LEU 80 CO -0.04 0.14 -0.06 0.18 0.09 0.00 0.00 178.44 178.74 1jkv n LEU 81 N -3.63 0.48 -4.73 1.67 4.77 -0.53 -1.13 117.00 113.90 1jkv n LEU 81 Ca -0.02 -0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.50 1jkv n LEU 81 Cb 0.26 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 1jkv n LEU 81 CO 0.31 0.08 1.25 -0.62 -1.33 0.00 0.00 177.39 177.08 1jkv n GLU 82 N -0.83 2.65 -1.42 3.23 1.02 -0.81 -1.88 120.64 122.60 1jkv n GLU 82 Ca 0.17 0.94 -0.14 0.00 -0.02 0.00 0.00 57.16 58.11 1jkv n GLU 82 Cb 0.25 -2.73 -0.06 0.00 -0.02 0.00 0.00 31.44 28.88 1jkv n GLU 82 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1jkv n ASP 83 N 2.54 -5.15 -4.77 1.62 8.00 -1.26 -4.81 116.55 112.72 1jkv n ASP 83 Ca 0.10 0.35 -0.40 0.00 0.71 0.00 0.00 54.79 55.56 1jkv n ASP 83 Cb 0.36 -3.91 -0.01 0.00 -0.02 0.00 0.00 41.12 37.54 1jkv n ASP 83 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jkv s ALA 84 N -2.39 3.28 0.33 2.24 0.00 -0.79 -4.96 121.76 119.47 1jkv s ALA 84 Ca 0.00 1.24 -0.27 0.00 0.00 0.00 0.00 51.96 52.93 1jkv s ALA 84 Cb 0.00 -3.49 -0.09 0.00 0.00 0.00 0.00 23.12 19.54 1jkv s ALA 84 CO 0.00 -0.82 1.10 -1.25 0.00 0.00 0.00 175.76 174.79 1jkv s PRO 85 N -2.22 4.41 0.00 0.00 0.04 -1.26 -4.93 135.00 131.04 1jkv s PRO 85 Ca 0.56 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.35 1jkv s PRO 85 Cb -0.38 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1jkv s PRO 85 CO 0.49 0.02 0.00 1.97 0.04 0.00 0.00 177.00 179.53 1jkv n PHE 86 N 0.67 0.00 -3.81 0.56 1.16 -1.26 -4.82 117.46 109.96 1jkv n PHE 86 Ca 0.01 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.50 1jkv n PHE 86 Cb 0.46 0.01 0.03 0.00 -1.61 0.00 0.00 39.48 38.37 1jkv n PHE 86 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 1jkv s GLY 87 N 0.00 0.43 0.33 4.97 0.00 -1.26 -5.05 107.32 106.74 1jkv s GLY 87 Ca 0.00 -0.80 0.12 0.00 0.00 0.00 0.00 44.72 44.04 1jkv s GLY 87 CO 0.00 -0.34 1.72 -2.55 0.00 0.00 0.00 173.10 171.93 1jkv h PRO 88 N 2.00 0.49 0.00 2.90 0.11 -2.01 -1.75 132.00 133.73 1jkv h PRO 88 Ca -0.33 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.70 1jkv h PRO 88 Cb 1.25 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1jkv h PRO 88 CO 0.42 0.32 -0.23 0.93 -0.21 0.00 0.00 178.00 179.23 1jkv h GLU 89 N 0.50 0.00 -0.24 1.05 4.39 -2.00 -2.24 114.58 116.05 1jkv h GLU 89 Ca 0.66 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 60.20 1jkv h GLU 89 Cb 1.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.02 1jkv h GLU 89 CO -0.49 0.23 -0.49 -0.44 -1.16 0.00 0.00 179.01 176.67 1jkv h ASP 90 N 0.00 0.84 0.39 1.42 3.32 -1.72 -3.01 116.42 117.66 1jkv h ASP 90 Ca -0.00 -0.55 -0.07 0.00 0.02 0.00 0.00 57.03 56.43 1jkv h ASP 90 Cb 0.44 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1jkv h ASP 90 CO 0.03 1.23 -0.35 -0.07 -1.72 0.00 0.00 179.24 178.36 1jkv h LEU 91 N 0.48 0.00 -0.34 1.55 3.38 -1.42 -2.33 115.31 116.63 1jkv h LEU 91 Ca 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1jkv h LEU 91 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1jkv h LEU 91 CO 0.11 0.35 -0.10 0.50 0.09 0.00 0.00 178.44 179.39 1jkv h LYS 92 N 0.00 0.68 0.00 1.13 3.64 -1.33 -0.29 116.57 120.40 1jkv h LYS 92 Ca -0.00 -0.27 -0.05 0.00 -1.27 0.00 0.00 60.65 59.06 1jkv h LYS 92 Cb 0.64 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1jkv h LYS 92 CO 0.05 0.85 -0.23 -0.09 -2.27 0.00 0.00 179.45 177.77 1jkv h ARG 93 N 0.46 0.00 -0.98 1.90 1.12 -1.40 -3.41 114.38 112.08 1jkv h ARG 93 Ca 0.08 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.92 1jkv h ARG 93 Cb 0.62 0.00 -0.19 0.00 -0.01 0.00 0.00 29.97 30.38 1jkv h ARG 93 CO 0.04 0.23 -0.42 0.34 -3.11 0.00 0.00 179.97 177.04 1jkv s ASP 94 N -6.28 -1.53 0.67 -3.80 -1.08 -0.89 -5.06 116.67 98.71 1jkv s ASP 94 Ca -0.01 -0.55 0.43 0.00 -0.52 0.00 0.00 52.55 51.90 1jkv s ASP 94 Cb 0.12 1.94 2.34 0.00 -1.46 0.00 0.00 42.92 45.86 1jkv s ASP 94 CO 0.63 -0.19 2.32 -0.65 0.52 0.00 0.00 175.17 177.80 1jkv h PRO 95 N 7.18 0.00 0.00 4.34 0.11 -1.29 -2.29 132.00 140.05 1jkv h PRO 95 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1jkv h PRO 95 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1jkv h PRO 95 CO 0.11 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.77 1jkv n SER 96 N -3.07 0.00 0.00 -2.05 3.41 -1.26 -2.88 113.62 107.77 1jkv n SER 96 Ca -0.03 0.18 0.13 0.00 -0.26 0.00 0.00 58.87 58.90 1jkv n SER 96 Cb 0.11 -0.34 0.69 0.00 -0.26 0.00 0.00 64.21 64.41 1jkv n SER 96 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1jkv n LEU 97 N -1.34 0.00 -0.26 1.04 4.77 -0.86 -3.94 117.00 116.40 1jkv n LEU 97 Ca 0.06 0.26 -0.05 0.00 -0.03 0.00 0.00 56.01 56.26 1jkv n LEU 97 Cb 0.13 -0.26 0.06 0.00 -2.33 0.00 0.00 43.42 41.02 1jkv n LEU 97 CO 0.12 -0.03 1.17 0.00 -1.33 0.00 0.00 177.39 177.32 1jkv h ALA 98 N 3.31 0.92 -0.64 -1.18 0.00 -1.78 -1.09 119.26 118.80 1jkv h ALA 98 Ca 0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1jkv h ALA 98 Cb 0.23 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1jkv h ALA 98 CO 0.00 0.36 0.15 1.15 0.00 0.00 0.00 179.25 180.91 1jkv h THR 99 N 0.99 1.26 -0.25 0.00 2.02 -1.87 -1.55 112.91 113.51 1jkv h THR 99 Ca 0.26 -0.94 0.04 0.00 0.77 0.00 0.00 66.41 66.54 1jkv h THR 99 Cb -0.09 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 66.92 1jkv h THR 99 CO -0.06 0.36 0.03 0.74 0.37 0.00 0.00 175.52 176.96 1jkv h THR 100 N 0.95 0.86 -0.90 3.16 2.02 -1.66 -2.66 112.91 114.68 1jkv h THR 100 Ca 0.20 -0.04 0.03 0.00 0.77 0.00 0.00 66.41 67.37 1jkv h THR 100 Cb 0.37 0.73 -0.05 0.00 -1.74 0.00 0.00 68.15 67.45 1jkv h THR 100 CO 0.00 0.02 0.58 0.24 0.37 0.00 0.00 175.52 176.74 1jkv h MET 101 N 0.12 1.10 -0.51 6.66 2.86 -0.98 -2.12 114.93 122.08 1jkv h MET 101 Ca 0.12 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.72 1jkv h MET 101 Cb 0.13 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 1jkv h MET 101 CO -0.17 0.73 0.34 0.00 1.06 0.00 0.00 176.91 178.87 1jkv h ALA 102 N 1.37 1.74 -0.00 6.32 0.00 -0.95 -2.51 119.26 125.22 1jkv h ALA 102 Ca 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1jkv h ALA 102 Cb -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1jkv h ALA 102 CO -0.12 0.21 -0.39 0.41 0.00 0.00 0.00 179.25 179.36 1jkv n GLY 103 N -1.48 -1.01 3.82 0.00 0.00 -0.83 -4.96 105.19 100.73 1jkv n GLY 103 Ca 0.06 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 1jkv n GLY 103 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jkv s MET 104 N -2.80 3.22 -0.32 1.61 1.00 -0.95 -4.89 119.30 116.18 1jkv s MET 104 Ca 0.16 1.03 -0.29 0.00 0.00 0.00 0.00 55.69 56.60 1jkv s MET 104 Cb 0.18 -2.03 0.00 0.00 0.00 0.00 0.00 34.83 32.99 1jkv s MET 104 CO 0.62 -0.87 1.33 0.34 0.00 0.00 0.00 175.02 176.44 1jkv s ASP 105 N -3.38 6.61 0.54 3.03 -1.08 -1.26 -4.92 116.67 116.20 1jkv s ASP 105 Ca 0.60 1.16 0.27 0.00 -0.52 0.00 0.00 52.55 54.06 1jkv s ASP 105 Cb -0.14 -2.54 1.44 0.00 -1.46 0.00 0.00 42.92 40.22 1jkv s ASP 105 CO 0.46 -1.15 1.97 -0.65 0.52 0.00 0.00 175.17 176.33 1jkv h PRO 106 N 9.58 0.00 0.00 4.34 0.11 -1.95 -1.72 132.00 142.37 1jkv h PRO 106 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1jkv h PRO 106 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1jkv h PRO 106 CO 1.04 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.76 1jkv h GLU 107 N 0.00 0.00 -0.46 1.05 5.08 -1.97 -2.76 114.58 115.52 1jkv h GLU 107 Ca 0.26 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.67 1jkv h GLU 107 Cb 1.11 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.31 1jkv h GLU 107 CO -0.00 0.00 0.20 0.45 -1.00 0.00 0.00 179.01 178.65 1jkv h HIS 108 N 0.00 0.35 0.06 4.33 3.86 -1.61 -1.27 115.15 120.87 1jkv h HIS 108 Ca 0.00 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1jkv h HIS 108 Cb 0.75 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.13 1jkv h HIS 108 CO 0.00 0.15 -0.03 0.66 0.86 0.00 0.00 177.93 179.57 1jkv h SER 109 N 0.39 -0.07 -0.32 2.45 4.64 -1.74 0.31 113.55 119.20 1jkv h SER 109 Ca 0.21 -0.41 -0.05 0.00 -0.47 0.00 0.00 61.79 61.07 1jkv h SER 109 Cb 0.17 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 1jkv h SER 109 CO -0.18 0.60 0.02 0.25 -0.87 0.00 0.00 176.83 176.65 1jkv h LEU 110 N -0.97 0.54 0.08 5.97 5.85 -1.46 -1.92 115.31 123.40 1jkv h LEU 110 Ca -0.01 -0.29 -0.32 0.00 0.84 0.00 0.00 57.88 58.10 1jkv h LEU 110 Cb 0.48 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1jkv h LEU 110 CO 0.01 0.70 -1.76 0.52 -0.34 0.00 0.00 178.44 177.57 1jkv n VAL 111 N -4.56 1.69 0.75 1.05 0.31 -0.53 -4.64 118.33 112.39 1jkv n VAL 111 Ca -0.02 -0.42 0.09 0.00 -0.01 0.00 0.00 64.34 63.97 1jkv n VAL 111 Cb 0.25 -1.84 0.03 0.00 -0.91 0.00 0.00 33.84 31.36 1jkv n VAL 111 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1jkv n HIS 112 N -3.84 0.00 -3.10 3.52 8.25 -0.92 -5.01 115.22 114.13 1jkv n HIS 112 Ca -0.33 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.00 1jkv n HIS 112 Cb 0.91 0.00 0.04 0.00 1.12 0.00 0.00 29.99 32.07 1jkv n HIS 112 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jkv n GLY 113 N 1.11 0.13 3.31 -1.41 0.00 -0.72 -3.27 105.19 104.34 1jkv n GLY 113 Ca 0.08 -0.17 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 1jkv n GLY 113 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jkv n LEU 114 N -2.97 -4.22 -4.25 0.99 4.77 0.11 -4.96 117.00 106.47 1jkv n LEU 114 Ca 0.00 -0.61 -0.14 0.00 -0.03 0.00 0.00 56.01 55.23 1jkv n LEU 114 Cb 0.53 -3.05 -0.10 0.00 -2.33 0.00 0.00 43.42 38.48 1jkv n LEU 114 CO 0.36 0.32 -0.33 0.20 -1.33 0.00 0.00 177.39 176.61 1jkv s ASN 115 N -4.16 1.29 0.64 -1.43 0.01 -1.20 -4.83 114.94 105.26 1jkv s ASN 115 Ca 0.07 -1.18 -0.18 0.00 -0.71 0.00 0.00 52.86 50.86 1jkv s ASN 115 Cb -0.01 0.10 -0.01 0.00 0.41 0.00 0.00 41.25 41.74 1jkv s ASN 115 CO 0.70 -0.56 1.26 0.00 -1.51 0.00 0.00 177.10 177.00 1jkv s ALA 116 N -3.63 2.39 0.51 0.60 0.00 -1.26 -4.78 121.76 115.60 1jkv s ALA 116 Ca 0.25 1.13 0.08 0.00 0.00 0.00 0.00 51.96 53.42 1jkv s ALA 116 Cb 0.06 -3.52 0.04 0.00 0.00 0.00 0.00 23.12 19.70 1jkv s ALA 116 CO 0.05 -1.51 0.60 -1.54 0.00 0.00 0.00 175.76 173.35 1jkv s SER 117 N -1.51 5.10 -0.41 0.00 1.04 -1.26 -4.98 113.70 111.68 1jkv s SER 117 Ca 0.80 -0.83 0.05 0.00 0.48 0.00 0.00 55.95 56.45 1jkv s SER 117 Cb -0.35 -0.01 0.56 0.00 0.10 0.00 0.00 66.02 66.33 1jkv s SER 117 CO 0.38 -1.06 1.71 -0.11 0.98 0.00 0.00 173.24 175.14 1jkv n LEU 118 N -1.95 5.72 -4.85 2.42 7.94 -1.26 -4.76 117.00 120.26 1jkv n LEU 118 Ca 0.09 -3.86 -0.21 0.00 -1.11 0.00 0.00 56.01 50.91 1jkv n LEU 118 Cb 0.62 -0.75 -0.04 0.00 0.53 0.00 0.00 43.42 43.78 1jkv n LEU 118 CO 0.40 1.27 -0.04 0.20 -1.11 0.00 0.00 177.39 178.11 1jkv s ASN 119 N -2.03 5.02 0.95 1.96 0.01 -1.26 -1.75 114.94 117.83 1jkv s ASN 119 Ca 0.53 -0.73 -0.11 0.00 -0.71 0.00 0.00 52.86 51.84 1jkv s ASN 119 Cb 0.45 -0.64 0.16 0.00 0.41 0.00 0.00 41.25 41.63 1jkv s ASN 119 CO 0.04 -0.58 0.98 -0.46 -1.51 0.00 0.00 177.10 175.58 1jkv n ASN 120 N -1.47 0.23 0.33 -1.22 0.23 -0.46 -3.67 115.26 109.22 1jkv n ASN 120 Ca 0.02 -1.45 0.21 0.00 -0.53 0.00 0.00 54.58 52.83 1jkv n ASN 120 Cb 0.62 -0.73 1.13 0.00 -2.08 0.00 0.00 39.78 38.71 1jkv n ASN 120 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 1jkv h PRO 121 N 0.00 0.00 -0.46 -0.53 0.11 -1.78 -1.86 132.00 127.48 1jkv h PRO 121 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1jkv h PRO 121 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1jkv h PRO 121 CO 0.24 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.12 1jkv n ASN 122 N -3.28 3.02 0.00 -2.05 3.02 -1.26 -4.91 115.26 109.81 1jkv n ASN 122 Ca -0.03 -1.95 0.00 0.00 -0.03 0.00 0.00 54.58 52.57 1jkv n ASN 122 Cb 0.08 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 1jkv n ASN 122 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jkv n GLY 123 N 1.42 0.71 3.69 7.41 0.00 -0.70 -5.02 105.19 112.69 1jkv n GLY 123 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1jkv n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jkv s ALA 124 N -2.61 3.42 0.33 4.61 0.00 -1.26 -4.77 121.76 121.48 1jkv s ALA 124 Ca 0.00 0.30 -0.29 0.00 0.00 0.00 0.00 51.96 51.97 1jkv s ALA 124 Cb 0.00 -3.37 -0.11 0.00 0.00 0.00 0.00 23.12 19.64 1jkv s ALA 124 CO 0.00 -0.59 1.54 0.00 0.00 0.00 0.00 175.76 176.71 1jkv s ALA 125 N 1.98 3.66 0.35 0.00 0.00 -1.26 -1.36 121.76 125.13 1jkv s ALA 125 Ca 0.46 1.57 -0.28 0.00 0.00 0.00 0.00 51.96 53.72 1jkv s ALA 125 Cb -0.18 -3.63 -0.12 0.00 0.00 0.00 0.00 23.12 19.19 1jkv s ALA 125 CO 0.17 -1.02 1.28 1.87 0.00 0.00 0.00 175.76 178.06 1jkv n TRP 126 N 1.33 2.23 -3.96 0.00 -0.00 -0.72 -4.88 117.44 111.44 1jkv n TRP 126 Ca 0.05 0.55 -0.09 0.00 -0.00 0.00 0.00 57.50 58.01 1jkv n TRP 126 Cb 0.38 -2.41 -0.09 0.00 -0.00 0.00 0.00 31.31 29.20 1jkv n TRP 126 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 1jkv s ASN 127 N -0.34 0.25 0.13 5.87 2.20 -1.26 -5.04 114.94 116.75 1jkv s ASN 127 Ca 0.56 -0.68 0.17 0.00 -0.94 0.00 0.00 52.86 51.98 1jkv s ASN 127 Cb -0.56 0.24 0.75 0.00 -2.00 0.00 0.00 41.25 39.68 1jkv s ASN 127 CO 0.62 -0.57 1.53 0.00 -2.94 0.00 0.00 177.10 175.74 1jkv n ALA 128 N 0.45 1.53 0.23 3.54 0.00 -1.26 -1.81 120.51 123.19 1jkv n ALA 128 Ca -0.17 0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.41 1jkv n ALA 128 Cb 0.60 -1.28 0.52 0.00 0.00 0.00 0.00 19.45 19.29 1jkv n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jkv n GLY 129 N -0.29 -0.97 0.03 0.00 0.00 -1.26 -1.38 105.19 101.32 1jkv n GLY 129 Ca 0.02 0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1jkv n GLY 129 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1jkv n TYR 130 N -2.19 0.23 -3.87 1.61 4.01 -0.75 -4.85 117.16 111.35 1jkv n TYR 130 Ca -0.00 0.07 -0.36 0.00 -0.16 0.00 0.00 57.90 57.45 1jkv n TYR 130 Cb 0.10 -0.62 -0.07 0.00 -0.31 0.00 0.00 39.34 38.44 1jkv n TYR 130 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1jkv s VAL 131 N -3.04 5.37 -0.14 -0.72 1.01 -0.48 -5.00 120.40 117.40 1jkv s VAL 131 Ca 0.11 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.27 1jkv s VAL 131 Cb 0.15 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.16 1jkv s VAL 131 CO 0.47 0.56 -0.19 -0.89 0.00 0.00 0.00 175.10 175.05 1jkv s THR 132 N -0.54 2.40 -0.29 3.92 2.01 -1.26 -5.06 115.64 116.82 1jkv s THR 132 Ca 0.12 -0.87 -0.00 0.00 0.31 0.00 0.00 61.69 61.25 1jkv s THR 132 Cb -0.12 -1.98 0.14 0.00 0.01 0.00 0.00 72.50 70.55 1jkv s THR 132 CO 0.02 0.53 0.30 -0.94 -0.69 0.00 0.00 174.62 173.85 1jkv s SER 133 N 0.72 1.58 -0.00 3.53 1.04 -1.26 -4.78 113.70 114.52 1jkv s SER 133 Ca -0.08 -0.72 0.22 0.00 0.48 0.00 0.00 55.95 55.85 1jkv s SER 133 Cb -0.16 0.55 -0.25 0.00 0.10 0.00 0.00 66.02 66.26 1jkv s SER 133 CO 0.01 -0.39 0.69 -1.54 0.98 0.00 0.00 173.24 172.99 1jkv n SER 134 N 5.31 0.40 0.00 7.02 3.41 -1.26 -4.98 113.62 123.52 1jkv n SER 134 Ca -0.02 -0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.27 1jkv n SER 134 Cb 0.47 1.51 0.00 0.00 -0.26 0.00 0.00 64.21 65.93 1jkv n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jkv n GLY 135 N 1.34 2.53 3.27 5.00 0.00 -1.26 -5.04 105.19 111.03 1jkv n GLY 135 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1jkv n GLY 135 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jkv s ASN 136 N -1.47 4.86 0.15 1.61 3.84 -1.26 -5.00 114.94 117.67 1jkv s ASN 136 Ca 0.00 -0.89 0.26 0.00 0.21 0.00 0.00 52.86 52.44 1jkv s ASN 136 Cb 0.00 -1.79 0.76 0.00 -0.55 0.00 0.00 41.25 39.67 1jkv s ASN 136 CO 0.00 -0.20 1.68 0.18 -2.79 0.00 0.00 177.10 175.98 1jkv n LEU 137 N 4.77 0.66 0.05 3.21 4.77 -1.26 -1.21 117.00 127.99 1jkv n LEU 137 Ca -0.15 0.46 -0.13 0.00 -0.03 0.00 0.00 56.01 56.17 1jkv n LEU 137 Cb 0.47 -0.31 -0.08 0.00 -2.33 0.00 0.00 43.42 41.16 1jkv n LEU 137 CO 0.29 -0.11 0.75 0.58 -1.33 0.00 0.00 177.39 177.57 1jkv h VAL 138 N 0.00 1.05 -0.15 4.08 2.07 -1.94 0.05 116.25 121.42 1jkv h VAL 138 Ca 0.00 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 1jkv h VAL 138 Cb 0.69 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1jkv h VAL 138 CO 0.00 0.11 0.09 0.00 0.02 0.00 0.00 177.57 177.78 1jkv h ALA 139 N 0.62 0.19 -0.03 1.67 0.00 -1.98 -3.05 119.26 116.67 1jkv h ALA 139 Ca -0.01 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 1jkv h ALA 139 Cb 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1jkv h ALA 139 CO 0.02 -0.29 -0.70 -0.44 0.00 0.00 0.00 179.25 177.84 1jkv h ASP 140 N 0.15 0.20 -0.34 0.00 3.32 -1.12 -1.32 116.42 117.32 1jkv h ASP 140 Ca 0.05 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 1jkv h ASP 140 Cb 0.05 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1jkv h ASP 140 CO -0.01 0.84 0.03 0.24 -1.72 0.00 0.00 179.24 178.62 1jkv h MET 141 N 0.12 0.68 -0.58 3.56 2.86 -1.05 0.27 114.93 120.78 1jkv h MET 141 Ca -0.02 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1jkv h MET 141 Cb 1.25 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.78 1jkv h MET 141 CO 0.10 0.67 0.38 0.00 1.06 0.00 0.00 176.91 179.13 1jkv h ARG 142 N 0.65 0.77 -0.79 1.72 3.08 -1.34 -1.21 114.38 117.26 1jkv h ARG 142 Ca 0.14 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.17 1jkv h ARG 142 Cb 0.36 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 30.18 1jkv h ARG 142 CO 0.01 0.52 0.50 0.35 -1.07 0.00 0.00 179.97 180.28 1jkv h PHE 143 N 0.79 0.93 -0.58 3.04 3.57 -0.64 -1.91 116.94 122.14 1jkv h PHE 143 Ca 0.21 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.65 1jkv h PHE 143 Cb -0.08 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.33 1jkv h PHE 143 CO -0.03 0.52 -0.01 -0.91 -2.23 0.00 0.00 178.31 175.65 1jkv h ASN 144 N 0.96 0.99 -0.51 0.41 2.35 -0.47 0.15 115.58 119.45 1jkv h ASN 144 Ca 0.32 -0.28 0.06 0.00 -0.55 0.00 0.00 56.30 55.85 1jkv h ASN 144 Cb 0.05 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.10 1jkv h ASN 144 CO -0.13 1.04 0.22 0.58 -1.65 0.00 0.00 177.43 177.50 1jkv h VAL 145 N 0.92 0.89 -0.54 2.81 2.07 -0.80 -1.92 116.25 119.68 1jkv h VAL 145 Ca 0.17 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 1jkv h VAL 145 Cb 0.55 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1jkv h VAL 145 CO 0.03 0.08 0.21 0.58 0.02 0.00 0.00 177.57 178.48 1jkv h VAL 146 N 0.43 1.22 -0.46 2.57 2.07 -0.64 -0.74 116.25 120.70 1jkv h VAL 146 Ca 0.23 -0.71 0.05 0.00 0.82 0.00 0.00 66.70 67.10 1jkv h VAL 146 Cb 0.20 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 1jkv h VAL 146 CO -0.20 0.27 0.19 -0.09 0.02 0.00 0.00 177.57 177.76 1jkv h ARG 147 N 0.74 0.37 0.00 1.57 1.12 -0.43 0.74 114.38 118.49 1jkv h ARG 147 Ca 0.18 -0.02 -0.07 0.00 -1.11 0.00 0.00 59.98 58.95 1jkv h ARG 147 Cb 0.22 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.08 1jkv h ARG 147 CO -0.01 0.25 -0.35 0.93 -3.11 0.00 0.00 179.97 177.67 1jkv h GLU 148 N 0.39 0.00 0.05 0.20 4.39 -1.16 -1.56 114.58 116.89 1jkv h GLU 148 Ca 0.21 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.91 1jkv h GLU 148 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1jkv h GLU 148 CO -0.19 0.35 -0.03 0.77 -1.16 0.00 0.00 179.01 178.76 1jkv h SER 149 N 0.00 -0.06 -0.68 1.42 0.02 -0.19 -1.42 113.55 112.64 1jkv h SER 149 Ca -0.00 -0.56 -0.01 0.00 -0.84 0.00 0.00 61.79 60.37 1jkv h SER 149 Cb 0.85 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.38 1jkv h SER 149 CO 0.05 0.57 0.38 -0.33 -1.14 0.00 0.00 176.83 176.36 1jkv h GLU 150 N -0.73 0.95 -0.31 3.45 4.39 -0.90 -1.29 114.58 120.14 1jkv h GLU 150 Ca -0.01 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 1jkv h GLU 150 Cb 0.62 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1jkv h GLU 150 CO 0.01 0.71 0.14 0.00 -1.16 0.00 0.00 179.01 178.71 1jkv h ALA 151 N 1.19 0.39 -0.03 3.43 0.00 -1.36 -2.03 119.26 120.86 1jkv h ALA 151 Ca 0.24 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1jkv h ALA 151 Cb 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1jkv h ALA 151 CO -0.04 -0.04 -0.38 -0.09 0.00 0.00 0.00 179.25 178.70 1jkv h ARG 152 N 0.36 0.07 -0.38 0.00 2.43 -1.11 0.37 114.38 116.12 1jkv h ARG 152 Ca 0.10 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1jkv h ARG 152 Cb 0.13 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1jkv h ARG 152 CO -0.01 0.44 0.23 1.25 -1.51 0.00 0.00 179.97 180.37 1jkv h LEU 153 N 0.06 0.46 -0.44 3.80 5.85 -1.10 -0.73 115.31 123.22 1jkv h LEU 153 Ca 0.00 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1jkv h LEU 153 Cb 0.70 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 1jkv h LEU 153 CO 0.05 0.39 0.13 1.56 -0.34 0.00 0.00 178.44 180.23 1jkv h GLN 154 N 0.50 0.69 -0.92 1.25 4.20 -0.58 -0.95 115.11 119.30 1jkv h GLN 154 Ca 0.14 -0.15 0.01 0.00 0.06 0.00 0.00 58.65 58.70 1jkv h GLN 154 Cb 0.01 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.65 1jkv h GLN 154 CO -0.03 0.68 0.60 0.28 -0.67 0.00 0.00 178.83 179.69 1jkv h VAL 155 N 0.57 1.24 -0.57 -0.54 2.07 -0.84 0.11 116.25 118.29 1jkv h VAL 155 Ca 0.14 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 1jkv h VAL 155 Cb 0.28 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 29.92 1jkv h VAL 155 CO -0.00 0.23 0.22 0.28 0.02 0.00 0.00 177.57 178.33 1jkv h SER 156 N 1.25 0.79 -0.40 0.57 0.02 -0.81 -1.48 113.55 113.49 1jkv h SER 156 Ca 0.34 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1jkv h SER 156 Cb -0.13 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.19 1jkv h SER 156 CO -0.07 0.75 0.22 0.03 -1.14 0.00 0.00 176.83 176.62 1jkv h ARG 157 N 0.79 0.56 -0.75 3.45 3.08 -0.66 -2.82 114.38 118.03 1jkv h ARG 157 Ca 0.19 -0.07 0.12 0.00 0.07 0.00 0.00 59.98 60.29 1jkv h ARG 157 Cb 0.21 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.10 1jkv h ARG 157 CO -0.01 0.46 0.50 -0.07 -1.07 0.00 0.00 179.97 179.77 1jkv h LEU 158 N 0.52 0.51 -1.65 3.04 3.38 -0.59 -0.94 115.31 119.57 1jkv h LEU 158 Ca 0.14 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.18 1jkv h LEU 158 Cb 0.06 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1jkv h LEU 158 CO -0.02 0.28 0.31 0.22 0.09 0.00 0.00 178.44 179.32 1jkv h TYR 159 N 0.55 0.44 -0.41 1.13 5.03 -1.01 -0.46 116.97 122.24 1jkv h TYR 159 Ca 0.36 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.68 1jkv h TYR 159 Cb 0.64 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.78 1jkv h TYR 159 CO -0.00 0.25 0.00 0.43 -1.32 0.00 0.00 178.16 177.51 1jkv n SER 160 N -4.48 2.45 -0.57 -2.11 7.64 -0.38 -3.98 113.62 112.19 1jkv n SER 160 Ca 0.06 -1.94 0.06 0.00 1.01 0.00 0.00 58.87 58.05 1jkv n SER 160 Cb 0.20 -0.27 0.11 0.00 -1.01 0.00 0.00 64.21 63.24 1jkv n SER 160 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1jkv n MET 161 N 0.83 1.91 -3.79 1.43 2.81 -0.18 -4.99 117.12 115.14 1jkv n MET 161 Ca 0.16 -1.69 -0.10 0.00 -1.81 0.00 0.00 57.70 54.26 1jkv n MET 161 Cb 0.40 -1.25 -0.07 0.00 -0.71 0.00 0.00 33.22 31.59 1jkv n MET 161 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 1jkv s THR 162 N -0.98 0.10 -0.76 2.03 -1.32 -1.21 -4.96 115.64 108.54 1jkv s THR 162 Ca 0.19 -0.86 0.07 0.00 -1.21 0.00 0.00 61.69 59.89 1jkv s THR 162 Cb 0.11 -1.07 0.14 0.00 -1.51 0.00 0.00 72.50 70.18 1jkv s THR 162 CO 0.15 -0.47 0.98 -0.62 -2.21 0.00 0.00 174.62 172.46 1jkv n GLU 163 N 0.34 1.67 -2.15 7.08 1.02 -1.26 -4.93 120.64 122.40 1jkv n GLU 163 Ca -0.17 -1.47 -0.43 0.00 -0.02 0.00 0.00 57.16 55.07 1jkv n GLU 163 Cb 0.61 -1.17 -0.02 0.00 -0.02 0.00 0.00 31.44 30.84 1jkv n GLU 163 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1jkv s ASP 164 N -0.84 6.56 0.45 1.62 -1.08 -1.26 -4.90 116.67 117.22 1jkv s ASP 164 Ca 0.13 1.77 0.25 0.00 -0.52 0.00 0.00 52.55 54.18 1jkv s ASP 164 Cb 0.07 -2.53 0.95 0.00 -1.46 0.00 0.00 42.92 39.95 1jkv s ASP 164 CO 0.10 -1.08 1.84 -0.33 0.52 0.00 0.00 175.17 176.22 1jkv h GLU 165 N 9.94 0.00 -0.15 4.34 4.39 -1.98 0.06 114.58 131.18 1jkv h GLU 165 Ca -0.34 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.26 1jkv h GLU 165 Cb 1.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1jkv h GLU 165 CO 0.99 0.21 -0.32 0.78 -1.16 0.00 0.00 179.01 179.50 1jkv h GLY 166 N 2.06 0.53 0.90 -3.84 0.00 -1.91 -0.14 103.07 100.68 1jkv h GLY 166 Ca -0.00 -0.64 0.01 0.00 0.00 0.00 0.00 47.33 46.70 1jkv h GLY 166 CO 0.03 0.57 0.05 -2.08 0.00 0.00 0.00 176.54 175.11 1jkv h VAL 167 N 0.11 0.97 -0.79 4.60 2.07 -1.66 -2.86 116.25 118.69 1jkv h VAL 167 Ca 0.00 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.52 1jkv h VAL 167 Cb 0.92 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 1jkv h VAL 167 CO 0.07 0.02 0.52 0.03 0.02 0.00 0.00 177.57 178.23 1jkv h ARG 168 N 0.12 0.95 -0.36 1.57 3.08 -0.97 -1.52 114.38 117.25 1jkv h ARG 168 Ca 0.06 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.07 1jkv h ARG 168 Cb 0.03 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 1jkv h ARG 168 CO -0.06 0.63 0.19 0.22 -1.07 0.00 0.00 179.97 179.88 1jkv h ASP 169 N 0.98 0.29 -0.31 7.04 3.58 -0.80 0.10 116.42 127.30 1jkv h ASP 169 Ca 0.31 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.78 1jkv h ASP 169 Cb 0.03 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 1jkv h ASP 169 CO -0.09 0.21 0.19 -0.03 -2.88 0.00 0.00 179.24 176.64 1jkv h MET 170 N 0.39 0.37 -0.66 0.28 4.05 -1.27 -2.68 114.93 115.40 1jkv h MET 170 Ca 0.15 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.56 1jkv h MET 170 Cb 0.04 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 30.72 1jkv h MET 170 CO -0.09 0.24 0.44 -0.07 0.23 0.00 0.00 176.91 177.66 1jkv h LEU 171 N 0.38 0.74 -1.22 3.39 3.38 -0.77 -1.70 115.31 119.53 1jkv h LEU 171 Ca 0.12 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1jkv h LEU 171 Cb -0.02 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1jkv h LEU 171 CO -0.05 0.53 -0.05 0.11 0.09 0.00 0.00 178.44 179.08 1jkv h LYS 172 N 0.88 0.48 -0.07 1.13 1.57 -0.54 0.46 116.57 120.48 1jkv h LYS 172 Ca 0.25 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1jkv h LYS 172 Cb -0.06 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 1jkv h LYS 172 CO -0.06 0.55 -0.04 0.35 -0.57 0.00 0.00 179.45 179.67 1jkv h PHE 173 N 0.46 0.19 -0.73 -1.35 3.57 -1.09 -2.96 116.94 115.03 1jkv h PHE 173 Ca 0.09 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1jkv h PHE 173 Cb 0.37 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 1jkv h PHE 173 CO 0.01 0.55 0.39 -0.07 -2.23 0.00 0.00 178.31 176.96 1jkv h LEU 174 N -0.23 0.92 -0.79 0.59 3.38 -1.03 -1.54 115.31 116.60 1jkv h LEU 174 Ca 0.02 -0.10 0.13 0.00 0.09 0.00 0.00 57.88 58.01 1jkv h LEU 174 Cb 0.50 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 40.93 1jkv h LEU 174 CO 0.01 0.76 0.39 -0.07 0.09 0.00 0.00 178.44 179.62 1jkv h LEU 175 N 1.01 0.48 -0.34 1.67 3.38 -0.95 0.12 115.31 120.67 1jkv h LEU 175 Ca 0.26 0.08 -0.11 0.00 0.09 0.00 0.00 57.88 58.20 1jkv h LEU 175 Cb 0.05 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1jkv h LEU 175 CO -0.04 0.23 -0.21 0.00 0.09 0.00 0.00 178.44 178.51 1jkv h ALA 176 N 1.51 0.48 -0.49 1.53 0.00 -1.20 -1.54 119.26 119.54 1jkv h ALA 176 Ca 0.42 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1jkv h ALA 176 Cb 0.54 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1jkv h ALA 176 CO -0.33 0.44 0.09 0.00 0.00 0.00 0.00 179.25 179.45 1jkv h ARG 177 N 0.52 0.76 -0.04 0.00 2.47 -0.86 -1.94 114.38 115.29 1jkv h ARG 177 Ca 0.07 -0.16 -0.10 0.00 -1.26 0.00 0.00 59.98 58.53 1jkv h ARG 177 Cb 0.76 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.95 1jkv h ARG 177 CO 0.06 0.71 -0.44 0.93 0.56 0.00 0.00 179.97 181.79 1jkv h GLU 178 N 0.73 0.10 -0.03 0.04 5.08 -0.81 0.20 114.58 119.89 1jkv h GLU 178 Ca 0.16 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1jkv h GLU 178 Cb 0.31 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1jkv h GLU 178 CO 0.00 0.52 0.02 1.15 -1.00 0.00 0.00 179.01 179.70 1jkv h THR 179 N 0.08 1.05 -0.46 1.13 2.02 -0.86 -0.18 112.91 115.70 1jkv h THR 179 Ca 0.00 -0.14 0.02 0.00 0.77 0.00 0.00 66.41 67.07 1jkv h THR 179 Cb 0.81 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 68.27 1jkv h THR 179 CO 0.06 0.04 0.28 -0.61 0.37 0.00 0.00 175.52 175.66 1jkv h GLN 180 N -0.01 0.54 -0.46 6.66 5.75 -0.99 -0.87 115.11 125.74 1jkv h GLN 180 Ca 0.01 -0.03 -0.09 0.00 -0.15 0.00 0.00 58.65 58.39 1jkv h GLN 180 Cb 0.05 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 1jkv h GLN 180 CO -0.00 0.36 -0.06 0.45 -2.65 0.00 0.00 178.83 176.92 1jkv h HIS 181 N 0.55 0.94 -0.37 3.99 3.86 -0.87 0.75 115.15 124.01 1jkv h HIS 181 Ca 0.18 -0.19 0.06 0.00 -1.16 0.00 0.00 60.37 59.27 1jkv h HIS 181 Cb 0.01 -0.24 -0.05 0.00 1.06 0.00 0.00 27.41 28.19 1jkv h HIS 181 CO -0.07 0.92 0.07 1.96 0.86 0.00 0.00 177.93 181.67 1jkv h GLN 182 N 0.69 0.19 -0.43 2.45 4.20 -0.79 -1.81 115.11 119.60 1jkv h GLN 182 Ca 0.12 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.76 1jkv h GLN 182 Cb 0.59 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 1jkv h GLN 182 CO 0.04 0.12 0.04 -0.07 -0.67 0.00 0.00 178.83 178.28 1jkv h LEU 183 N 0.19 0.72 -0.68 1.46 3.38 -0.78 -0.50 115.31 119.10 1jkv h LEU 183 Ca 0.18 -0.28 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 1jkv h LEU 183 Cb 0.21 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1jkv h LEU 183 CO -0.24 0.83 -0.10 0.06 0.09 0.00 0.00 178.44 179.08 1jkv h GLN 184 N 0.59 0.92 -0.16 1.13 3.07 -0.75 -1.36 115.11 118.55 1jkv h GLN 184 Ca 0.13 -0.32 -0.14 0.00 0.09 0.00 0.00 58.65 58.41 1jkv h GLN 184 Cb 0.44 -0.07 -0.01 0.00 0.08 0.00 0.00 27.48 27.92 1jkv h GLN 184 CO 0.02 0.97 -0.50 0.74 0.09 0.00 0.00 178.83 180.15 1jkv h PHE 185 N 0.82 0.51 -0.66 0.06 0.04 -1.25 -1.62 116.94 114.84 1jkv h PHE 185 Ca 0.13 -0.17 -0.06 0.00 2.80 0.00 0.00 57.97 60.67 1jkv h PHE 185 Cb 0.63 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.65 1jkv h PHE 185 CO 0.04 0.83 0.16 0.52 -0.60 0.00 0.00 178.31 179.26 1jkv h MET 186 N 0.33 1.05 -0.29 1.51 2.86 -0.84 0.11 114.93 119.66 1jkv h MET 186 Ca 0.02 -0.24 -0.04 0.00 -2.06 0.00 0.00 59.70 57.38 1jkv h MET 186 Cb 0.99 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 1jkv h MET 186 CO 0.09 0.92 0.03 -0.22 1.06 0.00 0.00 176.91 178.79 1jkv h LYS 187 N 1.00 0.48 -0.30 1.72 1.63 -1.02 -0.63 116.57 119.45 1jkv h LYS 187 Ca 0.21 -0.14 0.03 0.00 -0.85 0.00 0.00 60.65 59.90 1jkv h LYS 187 Cb 0.35 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.90 1jkv h LYS 187 CO 0.00 0.60 0.12 0.00 -3.45 0.00 0.00 179.45 176.72 1jkv h ALA 188 N 0.86 0.35 -0.44 5.00 0.00 -1.20 -1.52 119.26 122.31 1jkv h ALA 188 Ca 0.09 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.11 1jkv h ALA 188 Cb 0.36 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.07 1jkv h ALA 188 CO 0.01 -0.28 -0.11 0.37 0.00 0.00 0.00 179.25 179.23 1jkv h GLN 189 N 0.26 -0.00 -0.63 0.00 4.15 -0.78 -0.56 115.11 117.53 1jkv h GLN 189 Ca 0.13 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.48 1jkv h GLN 189 Cb 0.09 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 1jkv h GLN 189 CO -0.13 -0.00 0.12 0.93 -1.93 0.00 0.00 178.83 177.82 1jkv h GLU 190 N -0.01 1.04 -0.50 1.69 5.08 -0.82 0.36 114.58 121.43 1jkv h GLU 190 Ca 0.21 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1jkv h GLU 190 Cb 0.32 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1jkv h GLU 190 CO -0.45 0.96 0.16 0.93 -1.00 0.00 0.00 179.01 179.60 1jkv h GLU 191 N 0.96 0.78 -0.32 2.33 5.08 -0.96 -1.48 114.58 120.97 1jkv h GLU 191 Ca 0.19 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 1jkv h GLU 191 Cb 0.42 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1jkv h GLU 191 CO 0.01 0.73 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.52 1jkv h LEU 192 N 0.68 0.56 -0.91 1.33 3.38 -0.77 -1.78 115.31 117.80 1jkv h LEU 192 Ca 0.16 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1jkv h LEU 192 Cb 0.28 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1jkv h LEU 192 CO -0.00 0.75 0.00 -0.33 0.09 0.00 0.00 178.44 178.94 1jkv h GLU 193 N 0.52 0.80 -0.60 1.13 5.08 -0.69 0.49 114.58 121.31 1jkv h GLU 193 Ca 0.09 -0.22 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 1jkv h GLU 193 Cb 0.58 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1jkv h GLU 193 CO 0.04 0.81 0.05 1.49 -1.00 0.00 0.00 179.01 180.39 1jkv h GLU 194 N 0.75 1.02 -0.03 2.33 4.81 -0.87 0.13 114.58 122.71 1jkv h GLU 194 Ca 0.15 -0.29 -0.13 0.00 -0.13 0.00 0.00 59.36 58.96 1jkv h GLU 194 Cb 0.45 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.73 1jkv h GLU 194 CO 0.02 0.97 -0.48 -0.22 -0.73 0.00 0.00 179.01 178.57 1jkv h LYS 195 N 0.94 0.38 0.00 1.92 3.64 -0.98 -3.40 116.57 119.08 1jkv h LYS 195 Ca 0.18 -0.37 -0.03 0.00 -1.27 0.00 0.00 60.65 59.16 1jkv h LYS 195 Cb 0.48 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1jkv h LYS 195 CO 0.02 1.03 -1.67 0.66 -2.27 0.00 0.00 179.45 177.22 1jkv n TYR 196 N -4.30 0.00 0.00 1.91 4.01 0.13 -5.11 117.16 113.80 1jkv n TYR 196 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 1jkv n TYR 196 Cb 0.60 -0.36 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 1jkv n TYR 196 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jkv n GLY 197 N 1.78 3.66 0.23 2.72 0.00 0.44 -4.05 105.19 109.97 1jkv n GLY 197 Ca -0.05 -1.72 0.13 0.00 0.00 0.00 0.00 46.02 44.38 1jkv n GLY 197 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1jkv h ILE 198 N 0.86 0.13 -2.91 -0.61 6.09 -1.94 -3.41 117.51 115.73 1jkv h ILE 198 Ca 0.00 -0.96 -0.64 0.00 -1.37 0.00 0.00 64.86 61.89 1jkv h ILE 198 Cb 0.00 1.85 -0.09 0.00 0.47 0.00 0.00 36.82 39.05 1jkv h ILE 198 CO 0.00 0.07 -0.48 -0.63 -3.07 0.00 0.00 178.15 174.03 1jkv s ILE 199 N -3.38 5.46 -0.19 2.19 -1.09 -1.26 -5.07 121.20 117.86 1jkv s ILE 199 Ca 0.04 0.21 -0.10 0.00 -2.23 0.00 0.00 60.65 58.58 1jkv s ILE 199 Cb 0.07 -3.43 -0.05 0.00 -1.58 0.00 0.00 42.46 37.47 1jkv s ILE 199 CO 0.63 0.54 0.13 -0.69 -1.23 0.00 0.00 174.94 174.32 1jkv s VAL 200 N -0.45 5.39 0.60 2.92 1.01 -1.26 -1.67 120.40 126.93 1jkv s VAL 200 Ca 0.12 0.18 -0.14 0.00 0.00 0.00 0.00 61.98 62.15 1jkv s VAL 200 Cb -0.12 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1jkv s VAL 200 CO 0.02 0.46 1.03 -2.16 0.00 0.00 0.00 175.10 174.44 1jkv s PRO 201 N 0.24 3.50 0.00 2.72 0.05 -1.26 -5.06 135.00 135.18 1jkv s PRO 201 Ca 0.08 0.98 0.30 0.00 0.05 0.00 0.00 61.00 62.41 1jkv s PRO 201 Cb -0.11 -2.07 1.78 0.00 0.05 0.00 0.00 34.50 34.16 1jkv s PRO 201 CO -0.01 -0.65 2.15 0.41 0.05 0.00 0.00 177.00 178.95 1jkv n GLY 202 N -1.77 -0.95 1.19 0.56 0.00 -0.67 -4.12 105.19 99.44 1jkv n GLY 202 Ca 0.07 -0.20 -0.06 0.00 0.00 0.00 0.00 46.02 45.83 1jkv n GLY 202 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jkv n ASP 203 N -0.92 2.69 -0.02 1.61 5.75 -1.26 -4.64 116.55 119.76 1jkv n ASP 203 Ca 0.23 -3.81 0.01 0.00 -0.01 0.00 0.00 54.79 51.20 1jkv n ASP 203 Cb 0.12 -0.61 0.01 0.00 -1.03 0.00 0.00 41.12 39.61 1jkv n ASP 203 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1jkv n MET 204 N -1.09 2.11 -0.19 0.11 2.81 -1.26 -4.82 117.12 114.79 1jkv n MET 204 Ca 0.33 -1.37 -0.03 0.00 -1.81 0.00 0.00 57.70 54.82 1jkv n MET 204 Cb 0.97 -0.93 0.17 0.00 -0.71 0.00 0.00 33.22 32.73 1jkv n MET 204 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1jkv h LYS 205 N 0.00 0.97 -0.46 0.03 3.64 -1.89 -1.45 116.57 117.41 1jkv h LYS 205 Ca 0.00 -0.15 -0.12 0.00 -1.27 0.00 0.00 60.65 59.11 1jkv h LYS 205 Cb 0.68 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1jkv h LYS 205 CO 0.00 0.78 -0.19 0.93 -2.27 0.00 0.00 179.45 178.71 1jkv h GLU 206 N 0.95 0.91 -0.22 1.90 4.39 -1.98 -3.27 114.58 117.26 1jkv h GLU 206 Ca 0.23 -0.36 -0.09 0.00 0.34 0.00 0.00 59.36 59.47 1jkv h GLU 206 Cb 0.17 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1jkv h GLU 206 CO -0.02 1.02 -0.21 0.82 -1.16 0.00 0.00 179.01 179.45 1jkv h ILE 207 N 0.80 1.32 -4.21 3.13 2.04 -1.80 -3.46 117.51 115.34 1jkv h ILE 207 Ca 0.11 -1.37 -0.52 0.00 1.00 0.00 0.00 64.86 64.08 1jkv h ILE 207 Cb 0.73 1.71 0.15 0.00 -0.74 0.00 0.00 36.82 38.67 1jkv h ILE 207 CO 0.06 0.42 0.36 -1.83 0.00 0.00 0.00 178.15 177.16 1jkv s GLU 208 N -4.35 2.17 -0.98 2.37 -1.05 -0.59 -4.89 118.70 111.38 1jkv s GLU 208 Ca -0.13 1.58 -0.23 0.00 -0.15 0.00 0.00 54.97 56.03 1jkv s GLU 208 Cb 0.07 -1.86 0.03 0.00 -0.44 0.00 0.00 34.13 31.94 1jkv s GLU 208 CO 0.79 -1.77 1.54 -1.01 0.95 0.00 0.00 175.26 175.76 1jkv s HIS 209 N -2.26 2.38 0.55 4.83 3.76 -1.26 -4.86 115.29 118.43 1jkv s HIS 209 Ca 0.70 -0.53 0.26 0.00 -0.15 0.00 0.00 55.06 55.34 1jkv s HIS 209 Cb -0.25 -4.57 1.45 0.00 1.11 0.00 0.00 32.58 30.32 1jkv s HIS 209 CO 0.47 -1.91 2.01 0.77 -0.85 0.00 0.00 174.74 175.23 1jkv h SER 210 N 10.13 0.00 0.02 1.40 0.02 -1.90 -1.86 113.55 121.36 1jkv h SER 210 Ca 0.16 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1jkv h SER 210 Cb 1.01 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.55 1jkv h SER 210 CO 1.38 0.00 -0.00 1.05 -1.14 0.00 0.00 176.83 178.12 1jkv h GLU 211 N 0.00 0.00 -0.33 3.45 4.11 -2.00 -1.83 114.58 117.97 1jkv h GLU 211 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.63 1jkv h GLU 211 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1jkv h GLU 211 CO -0.00 0.00 0.00 1.19 0.07 0.00 0.00 179.01 180.27 1jkv n PHE 212 N -3.45 0.42 0.48 2.06 3.72 -0.70 -4.65 117.46 115.34 1jkv n PHE 212 Ca -0.03 -0.24 0.13 0.00 -0.05 0.00 0.00 57.45 57.25 1jkv n PHE 212 Cb 0.08 -0.00 0.33 0.00 -0.94 0.00 0.00 39.48 38.95 1jkv n PHE 212 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1jkv h SER 213 N 3.95 0.00 0.00 4.37 4.64 -1.45 -3.32 113.55 121.74 1jkv h SER 213 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1jkv h SER 213 Cb 0.90 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.94 1jkv h SER 213 CO 0.00 0.00 -0.38 1.41 -0.87 0.00 0.00 176.83 176.99 1jkv n HIS 214 N -2.56 0.00 -3.55 4.77 8.25 -1.26 -5.05 115.22 115.82 1jkv n HIS 214 Ca 0.05 -0.62 -0.40 0.00 -0.26 0.00 0.00 57.72 56.49 1jkv n HIS 214 Cb 0.46 -0.12 -0.11 0.00 1.12 0.00 0.00 29.99 31.34 1jkv n HIS 214 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1jkv s VAL 215 N -1.49 5.23 -0.19 1.59 1.01 -1.25 -1.18 120.40 124.11 1jkv s VAL 215 Ca 0.21 -0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.71 1jkv s VAL 215 Cb 0.20 -3.66 -0.00 0.00 0.00 0.00 0.00 36.38 32.92 1jkv s VAL 215 CO -0.02 0.03 1.18 -0.22 0.00 0.00 0.00 175.10 176.07 1jkv s LEU 216 N 1.72 4.15 -0.27 3.92 0.20 0.06 -4.94 118.68 123.51 1jkv s LEU 216 Ca 0.06 1.57 -0.09 0.00 0.69 0.00 0.00 54.13 56.36 1jkv s LEU 216 Cb -0.17 -3.54 -0.03 0.00 -0.43 0.00 0.00 46.19 42.02 1jkv s LEU 216 CO 0.10 -0.73 0.12 -0.04 -0.29 0.00 0.00 176.35 175.51 1jkv s MET 217 N 3.40 3.63 -1.21 1.98 -1.94 -1.26 -0.94 119.30 122.95 1jkv s MET 217 Ca 0.51 -0.51 -0.19 0.00 -1.71 0.00 0.00 55.69 53.79 1jkv s MET 217 Cb -0.19 -3.48 0.08 0.00 2.01 0.00 0.00 34.83 33.25 1jkv s MET 217 CO 0.11 -0.25 1.61 1.21 -0.01 0.00 0.00 175.02 177.69 1jkv s ASN 218 N 1.65 6.79 0.23 3.03 2.47 -0.75 -4.79 114.94 123.56 1jkv s ASN 218 Ca 0.06 -2.30 0.23 0.00 0.42 0.00 0.00 52.86 51.27 1jkv s ASN 218 Cb -0.16 -2.55 0.07 0.00 -1.45 0.00 0.00 41.25 37.17 1jkv s ASN 218 CO 0.06 -1.18 1.14 -0.26 -3.72 0.00 0.00 177.10 173.14 1jkv h PHE 219 N 8.03 0.00 -3.62 0.43 0.04 -1.89 -3.42 116.94 116.52 1jkv h PHE 219 Ca 0.37 0.00 -0.68 0.00 2.80 0.00 0.00 57.97 60.46 1jkv h PHE 219 Cb 0.91 0.00 -0.21 0.00 2.20 0.00 0.00 35.95 38.85 1jkv h PHE 219 CO 1.34 0.00 -0.71 0.45 -0.60 0.00 0.00 178.31 178.80 1jkv s SER 220 N -5.36 4.54 0.00 2.17 0.15 -1.26 -5.04 113.70 108.89 1jkv s SER 220 Ca 0.01 -0.09 0.16 0.00 0.70 0.00 0.00 55.95 56.74 1jkv s SER 220 Cb 0.09 -1.26 0.83 0.00 -1.71 0.00 0.00 66.02 63.97 1jkv s SER 220 CO 0.77 0.31 1.47 -0.90 1.20 0.00 0.00 173.24 176.09 1jkv n ASP 221 N 2.54 0.00 -4.72 5.45 5.75 -1.26 -4.70 116.55 119.62 1jkv n ASP 221 Ca -0.18 0.03 -0.34 0.00 -0.01 0.00 0.00 54.79 54.29 1jkv n ASP 221 Cb 0.53 -0.27 0.10 0.00 -1.03 0.00 0.00 41.12 40.45 1jkv n ASP 221 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1jkv s GLY 222 N -2.54 2.30 -0.06 6.12 0.00 -1.26 -4.95 107.32 106.92 1jkv s GLY 222 Ca 0.16 0.86 0.15 0.00 0.00 0.00 0.00 44.72 45.89 1jkv s GLY 222 CO 0.25 1.27 1.40 2.09 0.00 0.00 0.00 173.10 178.11 1jkv n ASP 223 N -2.86 3.64 -0.25 1.64 5.68 -1.26 -4.71 116.55 118.42 1jkv n ASP 223 Ca 0.13 -2.32 -0.00 0.00 -0.50 0.00 0.00 54.79 52.11 1jkv n ASP 223 Cb 0.50 -0.40 0.21 0.00 -1.14 0.00 0.00 41.12 40.30 1jkv n ASP 223 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1jkv h GLY 224 N 2.65 1.14 2.00 6.12 0.00 -1.94 -1.75 103.07 111.28 1jkv h GLY 224 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1jkv h GLY 224 CO 0.10 0.42 0.00 -1.14 0.00 0.00 0.00 176.54 175.92 1jkv n SER 225 N -4.41 0.42 0.33 0.19 3.41 -1.26 -2.33 113.62 109.97 1jkv n SER 225 Ca 0.09 0.61 0.21 0.00 -0.26 0.00 0.00 58.87 59.53 1jkv n SER 225 Cb 0.03 -0.70 1.16 0.00 -0.26 0.00 0.00 64.21 64.45 1jkv n SER 225 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1jkv h LYS 226 N 0.00 0.00 0.00 4.33 3.64 -1.68 -1.51 116.57 121.35 1jkv h LYS 226 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1jkv h LYS 226 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1jkv h LYS 226 CO 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.18 1jkv h ALA 227 N 1.96 1.00 0.00 5.00 0.00 -1.66 -1.33 119.26 124.23 1jkv h ALA 227 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1jkv h ALA 227 Cb 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1jkv h ALA 227 CO -0.00 0.00 -0.09 0.74 0.00 0.00 0.00 179.25 179.90 1jkv h PHE 228 N 0.00 0.00 -2.30 0.00 0.04 -1.52 -3.44 116.94 109.71 1jkv h PHE 228 Ca 0.00 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.20 1jkv h PHE 228 Cb 0.16 0.00 0.04 0.00 2.20 0.00 0.00 35.95 38.36 1jkv h PHE 228 CO 0.00 0.09 0.96 -1.91 -0.60 0.00 0.00 178.31 176.85 1jkv n GLU 229 N -3.15 2.36 0.00 1.51 2.13 -0.50 -1.31 120.64 121.68 1jkv n GLU 229 Ca 0.02 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.70 1jkv n GLU 229 Cb 0.47 -2.68 0.00 0.00 0.27 0.00 0.00 31.44 29.51 1jkv n GLU 229 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1jkv n GLY 230 N 3.87 2.22 3.78 8.31 0.00 -0.24 -4.99 105.19 118.15 1jkv n GLY 230 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1jkv n GLY 230 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jkv s GLN 231 N -0.27 3.71 -0.24 1.61 -0.21 -0.42 -4.74 119.66 119.09 1jkv s GLN 231 Ca 0.00 1.53 -0.24 0.00 0.02 0.00 0.00 55.36 56.67 1jkv s GLN 231 Cb 0.00 -2.18 -0.01 0.00 1.00 0.00 0.00 33.01 31.82 1jkv s GLN 231 CO 0.00 -0.54 0.79 0.08 -2.12 0.00 0.00 175.29 173.51 1jkv s VAL 232 N -1.80 4.87 0.88 1.09 1.01 -1.26 -1.32 120.40 123.87 1jkv s VAL 232 Ca 0.67 1.50 -0.12 0.00 0.00 0.00 0.00 61.98 64.03 1jkv s VAL 232 Cb -0.22 -4.09 0.12 0.00 0.00 0.00 0.00 36.38 32.20 1jkv s VAL 232 CO 0.26 -0.05 1.12 0.00 0.00 0.00 0.00 175.10 176.43 1jkv s ALA 233 N 2.72 1.87 0.48 5.51 0.00 -0.13 -4.90 121.76 127.31 1jkv s ALA 233 Ca 0.34 -0.41 0.38 0.00 0.00 0.00 0.00 51.96 52.26 1jkv s ALA 233 Cb -0.15 -3.06 1.94 0.00 0.00 0.00 0.00 23.12 21.84 1jkv s ALA 233 CO 0.08 -2.15 2.21 -0.22 0.00 0.00 0.00 175.76 175.69 1jkv h LYS 234 N -1.40 0.00 -0.20 0.00 3.64 -1.97 0.14 116.57 116.79 1jkv h LYS 234 Ca -0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1jkv h LYS 234 Cb 1.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1jkv h LYS 234 CO 0.61 0.02 0.00 -0.40 -2.27 0.00 0.00 179.45 177.41 1jkv n ASP 235 N -3.25 1.32 0.00 4.20 5.75 -1.26 -4.92 116.55 118.38 1jkv n ASP 235 Ca -0.02 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.92 1jkv n ASP 235 Cb 0.16 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 1jkv n ASP 235 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jkv n GLY 236 N 0.97 1.06 3.76 6.12 0.00 0.04 -5.06 105.19 112.07 1jkv n GLY 236 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1jkv n GLY 236 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jkv s GLU 237 N -0.46 3.09 0.38 1.61 2.12 -1.26 -4.82 118.70 119.37 1jkv s GLU 237 Ca 0.00 -0.39 -0.25 0.00 0.36 0.00 0.00 54.97 54.69 1jkv s GLU 237 Cb 0.00 -2.89 -0.09 0.00 0.26 0.00 0.00 34.13 31.41 1jkv s GLU 237 CO 0.00 0.70 1.08 0.15 -0.54 0.00 0.00 175.26 176.65 1jkv s LYS 238 N -1.24 4.19 0.25 4.30 1.02 -1.26 -0.96 119.74 126.04 1jkv s LYS 238 Ca 0.17 1.63 -0.30 0.00 0.02 0.00 0.00 55.97 57.50 1jkv s LYS 238 Cb -0.12 -2.66 -0.09 0.00 -0.52 0.00 0.00 37.83 34.44 1jkv s LYS 238 CO 0.07 -0.14 1.16 -0.06 -0.92 0.00 0.00 175.35 175.46 1jkv s PHE 239 N -1.53 3.46 0.53 3.18 0.08 -0.44 -4.87 117.98 118.40 1jkv s PHE 239 Ca 0.56 1.57 0.09 0.00 0.12 0.00 0.00 56.93 59.26 1jkv s PHE 239 Cb -0.25 -3.39 0.06 0.00 -0.57 0.00 0.00 43.02 38.87 1jkv s PHE 239 CO 0.32 -0.95 0.66 0.95 -0.10 0.00 0.00 175.22 176.11 1jkv s THR 240 N -0.77 2.23 -0.03 0.64 -4.23 -0.33 -1.08 115.64 112.07 1jkv s THR 240 Ca 0.48 -1.11 -0.01 0.00 -1.18 0.00 0.00 61.69 59.87 1jkv s THR 240 Cb -0.33 -2.33 0.03 0.00 1.34 0.00 0.00 72.50 71.20 1jkv s THR 240 CO 0.41 0.00 0.07 -0.47 -0.54 0.00 0.00 174.62 174.09 1jkv s TYR 241 N -2.62 -0.05 -0.29 3.99 5.04 -1.26 -0.76 117.35 121.40 1jkv s TYR 241 Ca 0.55 0.23 0.02 0.00 -2.44 0.00 0.00 57.07 55.43 1jkv s TYR 241 Cb -0.06 -0.12 0.07 0.00 0.35 0.00 0.00 41.96 42.20 1jkv s TYR 241 CO 0.34 -0.09 -0.04 -1.14 -1.34 0.00 0.00 175.55 173.28 1jkv s GLN 242 N 0.81 2.15 0.31 4.97 0.74 -0.12 -4.94 119.66 123.58 1jkv s GLN 242 Ca -0.06 -1.44 0.02 0.00 0.05 0.00 0.00 55.36 53.92 1jkv s GLN 242 Cb -0.09 -3.05 0.49 0.00 1.10 0.00 0.00 33.01 31.46 1jkv s GLN 242 CO -0.03 -0.67 1.83 1.49 -0.55 0.00 0.00 175.29 177.36 1jkv h GLU 243 N 7.82 0.65 -2.89 1.67 4.81 -1.91 -2.00 114.58 122.73 1jkv h GLU 243 Ca -0.17 -0.15 -0.61 0.00 -0.13 0.00 0.00 59.36 58.31 1jkv h GLU 243 Cb 1.04 -0.09 -0.40 0.00 0.63 0.00 0.00 28.75 29.93 1jkv h GLU 243 CO 0.50 0.65 -0.74 -0.80 -0.73 0.00 0.00 179.01 177.89 1jkv s ASN 244 N -6.68 3.49 0.52 1.04 0.01 -1.26 -4.61 114.94 107.45 1jkv s ASN 244 Ca -0.08 -3.08 -0.23 0.00 -0.71 0.00 0.00 52.86 48.76 1jkv s ASN 244 Cb 0.15 -1.08 -0.06 0.00 0.41 0.00 0.00 41.25 40.67 1jkv s ASN 244 CO 0.78 -0.19 1.38 -2.65 -1.51 0.00 0.00 177.10 174.91 1jkv n PRO 245 N 2.94 1.87 -4.24 -0.60 -0.02 -1.26 -4.99 135.00 128.70 1jkv n PRO 245 Ca 0.16 0.68 -0.33 0.00 -2.02 0.00 0.00 63.50 61.99 1jkv n PRO 245 Cb 0.38 -2.60 -0.08 0.00 -0.02 0.00 0.00 33.50 31.18 1jkv n PRO 245 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1jkv s GLU 246 N -2.75 2.88 -0.58 -0.52 -1.05 -1.26 -5.06 118.70 110.35 1jkv s GLU 246 Ca 0.68 -0.56 -0.27 0.00 -0.15 0.00 0.00 54.97 54.67 1jkv s GLU 246 Cb -0.43 -2.73 0.03 0.00 -0.44 0.00 0.00 34.13 30.56 1jkv s GLU 246 CO 0.52 0.64 1.14 0.00 0.95 0.00 0.00 175.26 178.51 1jkv s ALA 247 N -1.10 3.02 -2.08 -0.84 0.00 -1.26 -4.91 121.76 114.60 1jkv s ALA 247 Ca 0.20 -0.95 0.23 0.00 0.00 0.00 0.00 51.96 51.44 1jkv s ALA 247 Cb -0.12 -3.98 0.16 0.00 0.00 0.00 0.00 23.12 19.19 1jkv s ALA 247 CO 0.10 -2.63 1.20 -1.33 0.00 0.00 0.00 175.76 173.10 1jkv n MET 248 N 8.27 1.24 -0.11 0.00 0.00 -1.26 -4.73 117.12 120.53 1jkv n MET 248 Ca 0.07 -0.99 0.11 0.00 0.00 0.00 0.00 57.70 56.89 1jkv n MET 248 Cb 0.49 -1.48 0.16 0.00 0.00 0.00 0.00 33.22 32.39 1jkv n MET 248 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1jkv n GLY 249 N 1.40 1.35 0.24 3.03 0.00 -1.26 -5.09 105.19 104.85 1jkv n GLY 249 Ca 0.10 -0.66 0.03 0.00 0.00 0.00 0.00 46.02 45.49 1jkv n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jkv n GLY 250 N 1.31 -1.97 3.60 -0.02 0.00 -1.26 -4.84 105.19 102.02 1jkv n GLY 250 Ca 0.16 -1.44 -0.40 0.00 0.00 0.00 0.00 46.02 44.34 1jkv n GLY 250 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jkv s ILE 251 N -2.08 5.10 0.52 -0.61 1.01 -1.26 -5.06 121.20 118.83 1jkv s ILE 251 Ca 0.00 0.67 -0.22 0.00 0.00 0.00 0.00 60.65 61.10 1jkv s ILE 251 Cb 0.00 -3.80 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 1jkv s ILE 251 CO 0.00 0.06 1.31 -2.84 0.00 0.00 0.00 174.94 173.47 1jkv s PRO 252 N 2.23 3.30 -0.34 2.79 0.02 -1.26 -5.01 135.00 136.73 1jkv s PRO 252 Ca 0.18 2.11 0.01 0.00 0.02 0.00 0.00 61.00 63.32 1jkv s PRO 252 Cb -0.16 -2.29 0.14 0.00 0.02 0.00 0.00 34.50 32.21 1jkv s PRO 252 CO 0.10 -1.02 0.29 -1.01 -0.33 0.00 0.00 177.00 175.03 1jkv s HIS 253 N -1.37 -0.04 0.29 6.54 3.76 -1.26 -5.14 115.29 118.07 1jkv s HIS 253 Ca 0.69 -0.85 -0.14 0.00 -0.15 0.00 0.00 55.06 54.61 1jkv s HIS 253 Cb -0.37 -0.59 -0.09 0.00 1.11 0.00 0.00 32.58 32.64 1jkv s HIS 253 CO 0.44 -0.91 0.69 0.42 -0.85 0.00 0.00 174.74 174.53 1jkv s ILE 254 N 1.66 4.73 0.17 0.60 1.01 -1.26 -5.03 121.20 123.07 1jkv s ILE 254 Ca 0.14 0.88 -0.30 0.00 0.00 0.00 0.00 60.65 61.37 1jkv s ILE 254 Cb -0.17 -3.63 -0.08 0.00 0.01 0.00 0.00 42.46 38.59 1jkv s ILE 254 CO -0.14 -0.12 1.30 -0.75 0.00 0.00 0.00 174.94 175.24 1jkv s LYS 255 N -2.84 4.39 0.53 2.79 2.20 -1.26 -4.99 119.74 120.56 1jkv s LYS 255 Ca 0.51 2.02 -0.21 0.00 -0.36 0.00 0.00 55.97 57.93 1jkv s LYS 255 Cb -0.11 -3.22 -0.07 0.00 -1.51 0.00 0.00 37.83 32.92 1jkv s LYS 255 CO 0.18 -0.27 1.10 -2.30 -0.36 0.00 0.00 175.35 173.71 1jkv n PRO 256 N 2.95 1.30 -1.80 4.03 -0.02 -1.26 -4.99 135.00 135.20 1jkv n PRO 256 Ca 0.07 0.48 -0.30 0.00 -2.02 0.00 0.00 63.50 61.74 1jkv n PRO 256 Cb 0.43 -2.26 0.07 0.00 -0.02 0.00 0.00 33.50 31.72 1jkv n PRO 256 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1jkv s GLY 257 N -0.98 1.61 0.36 -1.23 0.00 -1.26 -5.01 107.32 100.81 1jkv s GLY 257 Ca 0.70 -0.43 -0.27 0.00 0.00 0.00 0.00 44.72 44.72 1jkv s GLY 257 CO 0.51 0.00 1.28 1.34 0.00 0.00 0.00 173.10 176.23 1jkv n ASP 258 N -3.24 2.67 0.26 1.64 -0.08 -1.26 -4.89 116.55 111.65 1jkv n ASP 258 Ca 0.07 1.18 0.18 0.00 -1.51 0.00 0.00 54.79 54.72 1jkv n ASP 258 Cb 0.58 -1.48 0.90 0.00 2.34 0.00 0.00 41.12 43.46 1jkv n ASP 258 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1jkv h PRO 259 N 2.43 0.00 0.00 -0.67 0.11 -2.00 -1.40 132.00 130.46 1jkv h PRO 259 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1jkv h PRO 259 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1jkv h PRO 259 CO 0.62 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.41 1jkv h ARG 260 N 0.00 0.00 0.00 1.05 3.08 -2.04 -1.65 114.38 114.82 1jkv h ARG 260 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1jkv h ARG 260 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1jkv h ARG 260 CO -0.00 0.00 -0.29 -0.07 -1.07 0.00 0.00 179.97 178.54 1jkv h LEU 261 N 0.00 0.00 -1.24 3.04 3.38 -1.61 -3.48 115.31 115.40 1jkv h LEU 261 Ca 0.00 -0.04 -0.40 0.00 0.09 0.00 0.00 57.88 57.53 1jkv h LEU 261 Cb 0.12 0.00 0.10 0.00 0.09 0.00 0.00 40.66 40.97 1jkv h LEU 261 CO 0.00 0.02 -0.74 1.41 0.09 0.00 0.00 178.44 179.22 1jkv n HIS 262 N -2.58 -2.43 -2.16 1.13 8.25 -0.62 -4.88 115.22 111.94 1jkv n HIS 262 Ca 0.04 0.95 -0.42 0.00 -0.26 0.00 0.00 57.72 58.02 1jkv n HIS 262 Cb 0.49 -4.74 0.00 0.00 1.12 0.00 0.00 29.99 26.86 1jkv n HIS 262 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1jkv n ASN 263 N -3.02 4.57 -4.54 0.41 3.02 -1.26 -4.93 115.26 109.51 1jkv n ASN 263 Ca -0.11 -2.97 -0.42 0.00 -0.03 0.00 0.00 54.58 51.05 1jkv n ASN 263 Cb 0.60 -1.59 -0.03 0.00 -0.61 0.00 0.00 39.78 38.15 1jkv n ASN 263 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1jkv s HIS 264 N 2.08 2.50 -0.19 3.10 3.76 -1.26 -4.82 115.29 120.46 1jkv s HIS 264 Ca 0.44 0.01 0.02 0.00 -0.15 0.00 0.00 55.06 55.38 1jkv s HIS 264 Cb 0.10 -4.47 0.05 0.00 1.11 0.00 0.00 32.58 29.37 1jkv s HIS 264 CO -0.03 -1.78 0.98 1.04 -0.85 0.00 0.00 174.74 174.11 1jkv n GLN 265 N 8.60 2.47 -0.63 1.40 6.02 -1.26 -5.29 117.38 128.69 1jkv n GLN 265 Ca 0.03 -1.47 0.00 0.00 -0.01 0.00 0.00 57.00 55.55 1jkv n GLN 265 Cb 0.48 -1.05 0.00 0.00 1.02 0.00 0.00 30.24 30.69 1jkv n GLN 265 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46