#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 2.29 0.11 1.12 0.40 -1.26 -5.15 117.98 115.48 1jkv s PHE 2 Ca 0.00 -0.36 0.04 0.00 -0.60 0.00 0.00 56.93 56.01 1jkv s PHE 2 Cb 0.00 -1.11 -0.04 0.00 0.51 0.00 0.00 43.02 42.38 1jkv s PHE 2 CO 0.00 0.52 -0.11 0.15 0.70 0.00 0.00 175.22 176.48 1jkv s LYS 3 N -2.78 0.90 -0.01 0.44 -0.14 -1.26 -5.17 119.74 111.73 1jkv s LYS 3 Ca 0.22 -1.19 0.05 0.00 -1.36 0.00 0.00 55.97 53.69 1jkv s LYS 3 Cb -0.07 -0.63 -0.01 0.00 -1.68 0.00 0.00 37.83 35.43 1jkv s LYS 3 CO 0.10 0.10 -0.17 -1.58 -0.76 0.00 0.00 175.35 173.05 1jkv s HIS 4 N -2.40 1.54 0.01 3.18 5.65 -1.26 -5.14 115.29 116.87 1jkv s HIS 4 Ca 0.07 -0.30 0.05 0.00 0.25 0.00 0.00 55.06 55.13 1jkv s HIS 4 Cb -0.03 -0.98 -0.03 0.00 -1.18 0.00 0.00 32.58 30.35 1jkv s HIS 4 CO 0.01 -0.02 -0.13 -0.08 -0.65 0.00 0.00 174.74 173.86 1jkv s THR 5 N -0.44 3.13 0.32 0.89 -1.32 -1.26 -5.03 115.64 111.93 1jkv s THR 5 Ca 0.06 -0.95 0.32 0.00 -1.21 0.00 0.00 61.69 59.92 1jkv s THR 5 Cb -0.07 -2.31 0.35 0.00 -1.51 0.00 0.00 72.50 68.96 1jkv s THR 5 CO -0.00 0.41 2.06 0.03 -2.21 0.00 0.00 174.62 174.91 1jkv h ARG 6 N 4.71 0.00 -6.61 7.08 2.47 -2.08 -3.43 114.38 116.51 1jkv h ARG 6 Ca -0.48 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 57.72 1jkv h ARG 6 Cb 1.16 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.50 1jkv h ARG 6 CO 0.50 0.07 0.65 0.15 0.56 0.00 0.00 179.97 181.91 1jkv s LYS 7 N -3.93 4.39 0.59 0.04 1.02 -1.26 -5.01 119.74 115.57 1jkv s LYS 7 Ca -0.01 2.00 -0.17 0.00 0.02 0.00 0.00 55.97 57.80 1jkv s LYS 7 Cb 0.11 -3.24 -0.04 0.00 -0.52 0.00 0.00 37.83 34.15 1jkv s LYS 7 CO 0.55 -0.29 1.10 -0.51 -0.92 0.00 0.00 175.35 175.27 1jkv s LEU 8 N 0.41 3.58 0.18 3.17 1.43 -1.26 -4.96 118.68 121.23 1jkv s LEU 8 Ca 0.59 2.02 -0.13 0.00 -1.03 0.00 0.00 54.13 55.58 1jkv s LEU 8 Cb -0.35 -4.56 0.13 0.00 0.03 0.00 0.00 46.19 41.44 1jkv s LEU 8 CO 0.34 -1.31 1.78 -0.61 0.23 0.00 0.00 176.35 176.78 1jkv h GLN 9 N 0.68 0.45 -3.81 1.70 4.15 -1.95 -3.45 115.11 112.88 1jkv h GLN 9 Ca -0.48 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 58.82 1jkv h GLN 9 Cb 1.24 -0.10 -0.15 0.00 0.21 0.00 0.00 27.48 28.69 1jkv h GLN 9 CO 0.56 0.30 -0.40 -0.47 -1.93 0.00 0.00 178.83 176.89 1jkv s TYR 10 N -6.13 0.17 0.29 3.99 5.04 -1.26 -5.14 117.35 114.31 1jkv s TYR 10 Ca -0.13 -0.58 -0.28 0.00 -2.44 0.00 0.00 57.07 53.64 1jkv s TYR 10 Cb 0.13 -0.08 -0.14 0.00 0.35 0.00 0.00 41.96 42.22 1jkv s TYR 10 CO 0.73 -0.51 1.08 0.09 -1.34 0.00 0.00 175.55 175.60 1jkv n ASN 11 N 0.08 1.63 -2.71 4.32 3.02 -1.26 -4.94 115.26 115.40 1jkv n ASN 11 Ca -0.16 1.18 -0.06 0.00 -0.03 0.00 0.00 54.58 55.51 1jkv n ASN 11 Cb 0.62 -1.33 0.05 0.00 -0.61 0.00 0.00 39.78 38.51 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 0.34 2.98 -3.59 5.41 0.00 -1.26 -4.40 120.51 119.99 1jkv n ALA 12 Ca 0.09 -2.77 -0.28 0.00 0.00 0.00 0.00 53.44 50.47 1jkv n ALA 12 Cb 0.32 -0.93 -0.17 0.00 0.00 0.00 0.00 19.45 18.68 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 -2.81 2.18 0.58 0.00 2.20 -1.26 -3.55 119.74 117.08 1jkv s LYS 13 Ca 0.26 -0.56 -0.11 0.00 -0.36 0.00 0.00 55.97 55.20 1jkv s LYS 13 Cb 0.42 -1.83 -0.05 0.00 -1.51 0.00 0.00 37.83 34.86 1jkv s LYS 13 CO 0.00 -0.03 0.98 -1.25 -0.36 0.00 0.00 175.35 174.69 1jkv s PRO 14 N 0.89 3.65 0.25 4.03 0.04 -1.26 -4.29 135.00 138.31 1jkv s PRO 14 Ca -0.09 0.69 0.01 0.00 0.04 0.00 0.00 61.00 61.65 1jkv s PRO 14 Cb -0.15 -2.14 0.29 0.00 0.04 0.00 0.00 34.50 32.53 1jkv s PRO 14 CO 0.00 -0.45 1.62 -0.44 0.04 0.00 0.00 177.00 177.77 1jkv h ASP 15 N -0.00 0.46 -5.10 6.66 3.32 -1.91 -3.46 116.42 116.39 1jkv h ASP 15 Ca -0.45 -0.21 -0.13 0.00 0.02 0.00 0.00 57.03 56.27 1jkv h ASP 15 Cb 1.19 -0.13 -0.17 0.00 0.22 0.00 0.00 39.33 40.44 1jkv h ASP 15 CO 0.62 0.83 -0.55 -0.13 -1.72 0.00 0.00 179.24 178.29 1jkv s ARG 16 N -4.17 0.58 0.58 3.56 0.52 -1.26 -5.08 118.95 113.68 1jkv s ARG 16 Ca -0.06 -0.80 -0.17 0.00 -0.52 0.00 0.00 55.73 54.17 1jkv s ARG 16 Cb 0.13 0.22 -0.04 0.00 0.52 0.00 0.00 34.95 35.78 1jkv s ARG 16 CO 0.81 -0.14 1.09 -1.54 0.02 0.00 0.00 175.30 175.54 1jkv s SER 17 N -2.19 5.64 -0.30 0.23 1.04 -1.26 -4.83 113.70 112.02 1jkv s SER 17 Ca -0.04 1.98 -0.04 0.00 0.48 0.00 0.00 55.95 58.33 1jkv s SER 17 Cb -0.01 -2.55 0.19 0.00 0.10 0.00 0.00 66.02 63.75 1jkv s SER 17 CO -0.05 -1.27 0.86 -0.62 0.98 0.00 0.00 173.24 173.14 1jkv s ASP 18 N -2.35 -0.91 0.19 7.02 -1.08 -0.31 -5.05 116.67 114.18 1jkv s ASP 18 Ca 0.67 0.03 0.25 0.00 -0.52 0.00 0.00 52.55 52.98 1jkv s ASP 18 Cb -0.19 1.51 0.90 0.00 -1.46 0.00 0.00 42.92 43.68 1jkv s ASP 18 CO 0.33 -0.16 1.75 -0.81 0.52 0.00 0.00 175.17 176.80 1jkv n PRO 19 N 5.06 0.19 -0.03 4.34 -0.04 -1.20 -1.76 135.00 141.57 1jkv n PRO 19 Ca 0.08 0.27 -0.16 0.00 -0.04 0.00 0.00 63.50 63.65 1jkv n PRO 19 Cb 0.57 -1.78 -0.09 0.00 -0.04 0.00 0.00 33.50 32.16 1jkv n PRO 19 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1jkv h ILE 20 N 0.00 1.39 -0.32 0.52 1.08 -1.90 -2.35 117.51 115.93 1jkv h ILE 20 Ca 0.00 -1.82 -0.09 0.00 -0.39 0.00 0.00 64.86 62.56 1jkv h ILE 20 Cb 0.55 2.26 -0.02 0.00 -3.07 0.00 0.00 36.82 36.54 1jkv h ILE 20 CO 0.00 0.54 -0.18 -0.03 -0.69 0.00 0.00 178.15 177.79 1jkv h MET 21 N 0.03 0.59 -0.36 2.37 4.05 -1.87 -1.73 114.93 118.01 1jkv h MET 21 Ca -0.03 -0.20 0.06 0.00 -0.28 0.00 0.00 59.70 59.24 1jkv h MET 21 Cb 1.12 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 31.82 1jkv h MET 21 CO 0.10 0.74 0.03 0.00 0.23 0.00 0.00 176.91 178.01 1jkv h ALA 22 N 1.28 0.36 -0.61 0.39 0.00 -1.33 -0.93 119.26 118.42 1jkv h ALA 22 Ca 0.09 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1jkv h ALA 22 Cb 0.61 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1jkv h ALA 22 CO 0.04 -0.37 0.38 -0.09 0.00 0.00 0.00 179.25 179.21 1jkv h ARG 23 N 0.14 0.73 -0.47 0.00 2.43 -1.03 -2.75 114.38 113.43 1jkv h ARG 23 Ca 0.18 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1jkv h ARG 23 Cb 0.23 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1jkv h ARG 23 CO -0.27 0.49 0.27 0.00 -1.51 0.00 0.00 179.97 178.95 1jkv h ARG 24 N 0.76 0.53 0.00 0.20 3.08 -0.80 -2.41 114.38 115.72 1jkv h ARG 24 Ca 0.24 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1jkv h ARG 24 Cb -0.01 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.92 1jkv h ARG 24 CO -0.09 0.35 0.00 -0.07 -1.07 0.00 0.00 179.97 179.09 1jkv h LEU 25 N 0.54 0.00 -2.67 3.04 3.38 -0.93 -1.40 115.31 117.26 1jkv h LEU 25 Ca 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1jkv h LEU 25 Cb 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1jkv h LEU 25 CO -0.09 0.00 -0.01 1.56 0.09 0.00 0.00 178.44 179.99 1jkv h GLN 26 N 0.00 0.00 -0.76 1.13 1.08 -1.15 -0.84 115.11 114.57 1jkv h GLN 26 Ca 0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1jkv h GLN 26 Cb 0.14 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.54 1jkv h GLN 26 CO 0.00 0.01 0.40 1.49 -0.95 0.00 0.00 178.83 179.78 1jkv h GLU 27 N 0.00 1.07 0.00 1.46 4.57 -1.42 0.51 114.58 120.77 1jkv h GLU 27 Ca -0.00 -0.14 -0.03 0.00 -1.18 0.00 0.00 59.36 58.02 1jkv h GLU 27 Cb 0.03 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 28.42 1jkv h GLU 27 CO 0.00 0.81 -0.12 0.77 -1.18 0.00 0.00 179.01 179.29 1jkv h SER 28 N 1.05 0.00 0.00 1.04 0.02 -1.35 -0.84 113.55 113.48 1jkv h SER 28 Ca 0.26 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.16 1jkv h SER 28 Cb 0.06 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1jkv h SER 28 CO -0.04 0.12 -0.86 -0.11 -1.14 0.00 0.00 176.83 174.80 1jkv n LEU 29 N -3.21 1.86 -0.75 5.07 7.94 -1.05 -0.43 117.00 126.43 1jkv n LEU 29 Ca 0.01 0.51 0.08 0.00 -1.11 0.00 0.00 56.01 55.50 1jkv n LEU 29 Cb 0.42 -0.85 0.14 0.00 0.53 0.00 0.00 43.42 43.67 1jkv n LEU 29 CO 0.32 -0.26 0.59 0.61 -1.11 0.00 0.00 177.39 177.53 1jkv n GLY 30 N 1.53 1.48 3.92 -3.96 0.00 0.15 -3.56 105.19 104.75 1jkv n GLY 30 Ca -0.15 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.13 1.67 0.23 -0.02 0.00 -0.32 -3.68 107.32 104.07 1jkv s GLY 31 Ca 0.25 -0.86 -0.15 0.00 0.00 0.00 0.00 44.72 43.96 1jkv s GLY 31 CO 0.20 -0.46 1.58 -1.61 0.00 0.00 0.00 173.10 172.82 1jkv h GLN 32 N -0.61 -0.05 -0.42 2.90 4.15 -1.95 -2.24 115.11 116.90 1jkv h GLN 32 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.98 1jkv h GLN 32 Cb 1.31 0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.01 1jkv h GLN 32 CO 0.61 -0.03 0.00 0.91 -1.93 0.00 0.00 178.83 178.39 1jkv n TRP 33 N -5.50 0.94 -1.04 3.99 7.02 -1.26 -4.79 117.44 116.80 1jkv n TRP 33 Ca 0.09 -0.65 -0.02 0.00 -1.02 0.00 0.00 57.50 55.90 1jkv n TRP 33 Cb 0.40 -0.18 0.02 0.00 -2.42 0.00 0.00 31.31 29.12 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 0.39 -1.24 0.18 6.99 0.00 -0.84 -4.33 105.19 106.33 1jkv n GLY 34 Ca 0.19 -1.66 0.03 0.00 0.00 0.00 0.00 46.02 44.58 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 0.00 -0.39 1.61 4.39 -0.94 -2.00 114.58 117.24 1jkv h GLU 35 Ca -0.04 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.54 1jkv h GLU 35 Cb 0.10 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1jkv h GLU 35 CO 0.02 0.42 -0.24 1.15 -1.16 0.00 0.00 179.01 179.20 1jkv h THR 36 N 0.00 1.27 -0.58 1.13 2.02 -1.76 0.21 112.91 115.21 1jkv h THR 36 Ca -0.00 -1.37 0.02 0.00 0.77 0.00 0.00 66.41 65.83 1jkv h THR 36 Cb 0.79 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 68.40 1jkv h THR 36 CO 0.05 0.46 0.36 0.74 0.37 0.00 0.00 175.52 177.51 1jkv h THR 37 N 0.69 1.10 -0.10 3.16 2.02 -1.65 -0.49 112.91 117.63 1jkv h THR 37 Ca 0.09 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 1jkv h THR 37 Cb 0.76 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1jkv h THR 37 CO 0.06 0.13 0.01 1.23 0.37 0.00 0.00 175.52 177.32 1jkv h GLY 38 N 0.73 0.19 0.24 2.16 0.00 -1.10 -0.76 103.07 104.53 1jkv h GLY 38 Ca 0.22 -0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.46 1jkv h GLY 38 CO -0.08 0.12 -0.30 1.98 0.00 0.00 0.00 176.54 178.27 1jkv h MET 39 N -0.08 -0.38 -0.06 4.80 -1.53 -0.81 -1.09 114.93 115.79 1jkv h MET 39 Ca 0.03 0.03 -0.15 0.00 -3.44 0.00 0.00 59.70 56.16 1jkv h MET 39 Cb 0.32 0.09 -0.01 0.00 -0.55 0.00 0.00 31.60 31.45 1jkv h MET 39 CO 0.00 -0.25 -0.64 0.52 0.14 0.00 0.00 176.91 176.68 1jkv h MET 40 N -0.39 0.24 0.10 0.39 2.86 -1.07 -2.02 114.93 115.03 1jkv h MET 40 Ca 0.09 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1jkv h MET 40 Cb 0.52 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1jkv h MET 40 CO -0.31 0.80 -0.05 0.77 1.06 0.00 0.00 176.91 179.18 1jkv h SER 41 N 0.17 -0.12 -0.41 1.22 0.02 -0.95 -1.25 113.55 112.24 1jkv h SER 41 Ca -0.01 -0.25 -0.15 0.00 -0.84 0.00 0.00 61.79 60.54 1jkv h SER 41 Cb 1.16 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 1jkv h SER 41 CO 0.10 0.19 -0.34 1.88 -1.14 0.00 0.00 176.83 177.52 1jkv h TYR 42 N -0.43 1.13 -0.31 3.45 0.05 -1.20 -0.66 116.97 119.00 1jkv h TYR 42 Ca -0.01 -0.32 -0.02 0.00 0.05 0.00 0.00 58.73 58.42 1jkv h TYR 42 Cb 0.36 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 1jkv h TYR 42 CO 0.02 1.15 0.11 -0.07 -1.05 0.00 0.00 178.16 178.32 1jkv h LEU 43 N 0.79 0.45 -0.43 3.88 3.38 -1.45 0.12 115.31 122.05 1jkv h LEU 43 Ca 0.08 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1jkv h LEU 43 Cb 0.93 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1jkv h LEU 43 CO 0.09 0.51 0.28 0.77 0.09 0.00 0.00 178.44 180.19 1jkv h SER 44 N 0.35 0.50 -0.70 -0.43 4.64 -1.07 -0.12 113.55 116.73 1jkv h SER 44 Ca 0.10 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.35 1jkv h SER 44 Cb 0.22 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.15 1jkv h SER 44 CO -0.01 0.37 0.23 1.56 -0.87 0.00 0.00 176.83 178.11 1jkv h GLN 45 N 0.59 1.07 -0.31 4.77 4.20 -1.04 -1.38 115.11 123.00 1jkv h GLN 45 Ca 0.16 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1jkv h GLN 45 Cb -0.06 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 1jkv h GLN 45 CO -0.03 0.92 0.13 0.78 -0.67 0.00 0.00 178.83 179.95 1jkv h GLY 46 N 1.01 0.49 1.50 3.46 0.00 -0.65 -1.83 103.07 107.04 1jkv h GLY 46 Ca 0.23 -0.26 -0.07 0.00 0.00 0.00 0.00 47.33 47.23 1jkv h GLY 46 CO -0.01 0.24 -0.04 1.49 0.00 0.00 0.00 176.54 178.22 1jkv h TRP 47 N 0.35 0.65 0.00 5.60 6.55 -0.91 -2.78 115.95 125.42 1jkv h TRP 47 Ca 0.10 -0.09 0.00 0.00 0.95 0.00 0.00 58.89 59.86 1jkv h TRP 47 Cb 0.16 -0.18 0.00 0.00 -0.86 0.00 0.00 29.16 28.28 1jkv h TRP 47 CO -0.01 0.65 0.00 0.00 -1.05 0.00 0.00 178.44 178.03 1jkv n ALA 48 N -2.48 2.12 -2.47 1.49 0.00 -0.53 -4.85 120.51 113.79 1jkv n ALA 48 Ca 0.02 -0.04 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 1jkv n ALA 48 Cb 0.29 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 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 -3.64 7.28 -0.01 0.00 0.15 -0.71 -4.91 113.70 111.86 1jkv s SER 49 Ca 0.11 1.85 0.13 0.00 0.70 0.00 0.00 55.95 58.73 1jkv s SER 49 Cb 0.14 -2.58 0.38 0.00 -1.71 0.00 0.00 66.02 62.25 1jkv s SER 49 CO 0.49 -0.30 1.32 0.35 1.20 0.00 0.00 173.24 176.30 1jkv n THR 50 N 3.57 1.10 -1.22 6.45 -2.24 -1.26 -5.03 114.28 115.65 1jkv n THR 50 Ca 0.06 -1.06 0.00 0.00 -2.27 0.00 0.00 64.05 60.78 1jkv n THR 50 Cb 0.49 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 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 0.63 2.10 3.64 3.38 0.00 -1.26 -5.02 105.19 108.66 1jkv n GLY 51 Ca 0.14 -1.92 -0.48 0.00 0.00 0.00 0.00 46.02 43.77 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 0.57 0.25 4.61 0.00 -1.26 -4.81 120.51 116.87 1jkv n ALA 52 Ca 0.00 0.47 0.08 0.00 0.00 0.00 0.00 53.44 53.99 1jkv n ALA 52 Cb 0.00 -2.25 0.62 0.00 0.00 0.00 0.00 19.45 17.82 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 5.39 0.02 -0.71 0.00 4.39 -1.98 -2.06 114.58 119.63 1jkv h GLU 53 Ca -0.46 -0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.38 1jkv h GLU 53 Cb 1.28 -0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.83 1jkv h GLU 53 CO 0.85 0.02 0.24 -0.22 -1.16 0.00 0.00 179.01 178.74 1jkv h LYS 54 N 0.02 0.36 0.16 2.33 3.64 -1.99 -0.10 116.57 120.98 1jkv h LYS 54 Ca 0.01 -0.02 -0.35 0.00 -1.27 0.00 0.00 60.65 59.01 1jkv h LYS 54 Cb 0.02 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1jkv h LYS 54 CO 0.00 0.24 -1.82 1.88 -2.27 0.00 0.00 179.45 177.47 1jkv h TYR 55 N 0.37 0.62 -0.33 1.91 0.05 -1.79 -2.79 116.97 115.00 1jkv h TYR 55 Ca 0.39 -0.45 0.03 0.00 0.05 0.00 0.00 58.73 58.75 1jkv h TYR 55 Cb 0.61 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.29 1jkv h TYR 55 CO -0.20 1.72 0.14 -0.22 -1.05 0.00 0.00 178.16 178.55 1jkv h LYS 56 N 0.07 0.29 -0.53 4.88 3.64 -1.31 -1.04 116.57 122.58 1jkv h LYS 56 Ca -0.37 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 58.87 1jkv h LYS 56 Cb 2.06 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.79 1jkv h LYS 56 CO 0.14 0.19 -0.15 0.22 -2.27 0.00 0.00 179.45 177.59 1jkv h ASP 57 N 0.30 1.03 -0.68 4.20 3.58 -1.16 -1.99 116.42 121.71 1jkv h ASP 57 Ca 0.14 -0.36 0.10 0.00 0.42 0.00 0.00 57.03 57.34 1jkv h ASP 57 Cb 0.09 -0.28 -0.08 0.00 1.72 0.00 0.00 39.33 40.78 1jkv h ASP 57 CO -0.12 1.16 0.29 0.25 -2.88 0.00 0.00 179.24 177.94 1jkv h LEU 58 N 0.90 0.33 -0.40 2.28 5.85 -1.19 0.24 115.31 123.33 1jkv h LEU 58 Ca 0.13 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.86 1jkv h LEU 58 Cb 0.72 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 1jkv h LEU 58 CO 0.06 0.18 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.25 1jkv h LEU 59 N 0.49 0.72 -0.50 2.25 3.38 -0.88 -1.15 115.31 119.62 1jkv h LEU 59 Ca 0.34 -0.32 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 1jkv h LEU 59 Cb 0.42 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1jkv h LEU 59 CO -0.31 0.86 -0.35 -0.07 0.09 0.00 0.00 178.44 178.67 1jkv h LEU 60 N 0.55 0.89 -0.13 1.67 3.38 -1.01 0.84 115.31 121.51 1jkv h LEU 60 Ca 0.11 -0.39 0.04 0.00 0.09 0.00 0.00 57.88 57.73 1jkv h LEU 60 Cb 0.51 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1jkv h LEU 60 CO 0.02 1.15 -0.13 0.44 0.09 0.00 0.00 178.44 180.01 1jkv h ASP 61 N 0.70 -0.42 -0.11 -0.43 3.32 -0.44 -2.04 116.42 117.00 1jkv h ASP 61 Ca 0.07 0.08 -0.23 0.00 0.02 0.00 0.00 57.03 56.97 1jkv h ASP 61 Cb 0.91 0.20 0.01 0.00 0.22 0.00 0.00 39.33 40.68 1jkv h ASP 61 CO 0.08 -0.18 -0.81 0.74 -1.72 0.00 0.00 179.24 177.35 1jkv h THR 62 N -0.16 1.29 -1.00 0.35 2.02 -1.04 -1.90 112.91 112.47 1jkv h THR 62 Ca 0.09 -2.02 0.04 0.00 0.77 0.00 0.00 66.41 65.29 1jkv h THR 62 Cb 0.29 2.10 -0.06 0.00 -1.74 0.00 0.00 68.15 68.74 1jkv h THR 62 CO -0.23 0.63 0.65 1.23 0.37 0.00 0.00 175.52 178.18 1jkv h GLY 63 N 0.47 1.47 1.08 2.16 0.00 -0.84 0.90 103.07 108.30 1jkv h GLY 63 Ca -0.07 -0.50 -0.10 0.00 0.00 0.00 0.00 47.33 46.66 1jkv h GLY 63 CO 0.17 0.41 -0.06 -0.84 0.00 0.00 0.00 176.54 176.22 1jkv h THR 64 N 1.25 1.27 -0.72 4.70 2.02 -1.26 -2.62 112.91 117.55 1jkv h THR 64 Ca 0.40 -1.20 0.04 0.00 0.77 0.00 0.00 66.41 66.42 1jkv h THR 64 Cb 0.02 0.92 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 1jkv h THR 64 CO -0.13 0.43 0.45 -0.08 0.37 0.00 0.00 175.52 176.55 1jkv h GLU 65 N 0.90 0.83 -0.08 6.66 4.81 -0.59 -2.53 114.58 124.58 1jkv h GLU 65 Ca 0.15 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1jkv h GLU 65 Cb 0.62 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1jkv h GLU 65 CO 0.04 0.55 -0.04 0.93 -0.73 0.00 0.00 179.01 179.76 1jkv h GLU 66 N 0.86 0.12 -1.00 1.92 4.39 -0.50 0.18 114.58 120.55 1jkv h GLU 66 Ca 0.30 -0.01 0.10 0.00 0.34 0.00 0.00 59.36 60.08 1jkv h GLU 66 Cb 0.06 -0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 28.61 1jkv h GLU 66 CO -0.13 0.17 0.64 1.98 -1.16 0.00 0.00 179.01 180.51 1jkv h MET 67 N 0.12 1.03 -0.43 2.33 4.05 -1.14 -0.02 114.93 120.87 1jkv h MET 67 Ca 0.03 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.35 1jkv h MET 67 Cb 0.15 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 30.70 1jkv h MET 67 CO 0.01 0.68 0.12 0.00 0.23 0.00 0.00 176.91 177.95 1jkv h ALA 68 N 1.51 1.41 -0.20 0.39 0.00 -0.94 -1.93 119.26 119.51 1jkv h ALA 68 Ca 0.47 -0.16 -0.21 0.00 0.00 0.00 0.00 54.91 55.02 1jkv h ALA 68 Cb 0.37 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1jkv h ALA 68 CO -0.23 0.43 -0.70 0.45 0.00 0.00 0.00 179.25 179.20 1jkv h HIS 69 N 0.62 1.07 -0.47 0.00 -0.00 -0.88 -1.15 115.15 114.34 1jkv h HIS 69 Ca 0.15 -0.44 0.09 0.00 -0.00 0.00 0.00 60.37 60.16 1jkv h HIS 69 Cb 0.21 -0.18 -0.07 0.00 -0.00 0.00 0.00 27.41 27.37 1jkv h HIS 69 CO 0.01 1.28 0.03 0.28 -0.00 0.00 0.00 177.93 179.53 1jkv h VAL 70 N 0.58 0.67 -0.75 2.45 2.07 -0.91 -0.31 116.25 120.05 1jkv h VAL 70 Ca -0.03 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1jkv h VAL 70 Cb 1.32 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 1jkv h VAL 70 CO 0.15 0.03 0.47 -0.08 0.02 0.00 0.00 177.57 178.16 1jkv h GLU 71 N 0.15 1.00 -0.23 1.57 4.81 -1.17 -1.19 114.58 119.52 1jkv h GLU 71 Ca 0.24 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1jkv h GLU 71 Cb 0.34 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1jkv h GLU 71 CO -0.36 0.69 0.10 0.52 -0.73 0.00 0.00 179.01 179.23 1jkv h MET 72 N 1.02 0.33 -0.36 1.92 2.86 -0.67 -0.90 114.93 119.14 1jkv h MET 72 Ca 0.27 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.83 1jkv h MET 72 Cb -0.07 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 1jkv h MET 72 CO -0.05 0.36 0.13 0.82 1.06 0.00 0.00 176.91 179.23 1jkv h ILE 73 N 0.22 1.19 -0.43 -1.22 1.08 -0.89 0.16 117.51 117.64 1jkv h ILE 73 Ca 0.08 -0.61 0.07 0.00 -0.39 0.00 0.00 64.86 64.01 1jkv h ILE 73 Cb 0.15 0.93 -0.06 0.00 -3.07 0.00 0.00 36.82 34.77 1jkv h ILE 73 CO -0.01 0.21 0.05 0.28 -0.69 0.00 0.00 178.15 178.00 1jkv h SER 74 N 0.43 -0.07 -0.30 1.72 0.02 -1.16 -0.99 113.55 113.19 1jkv h SER 74 Ca 0.12 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 1jkv h SER 74 Cb 0.21 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1jkv h SER 74 CO -0.01 -0.00 0.16 0.74 -1.14 0.00 0.00 176.83 176.58 1jkv h THR 75 N 0.17 1.14 -0.66 -2.27 2.02 -0.83 -1.57 112.91 110.90 1jkv h THR 75 Ca 0.21 -0.37 0.03 0.00 0.77 0.00 0.00 66.41 67.04 1jkv h THR 75 Cb 0.28 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 1jkv h THR 75 CO -0.31 0.14 0.41 -0.03 0.37 0.00 0.00 175.52 176.11 1jkv h MET 76 N 0.36 0.79 -0.60 6.66 -1.53 -0.67 -1.29 114.93 118.67 1jkv h MET 76 Ca 0.11 -0.05 0.01 0.00 -3.44 0.00 0.00 59.70 56.33 1jkv h MET 76 Cb 0.08 -0.18 -0.03 0.00 -0.55 0.00 0.00 31.60 30.92 1jkv h MET 76 CO -0.02 0.53 0.40 0.82 0.14 0.00 0.00 176.91 178.77 1jkv h ILE 77 N 0.82 1.15 -0.59 1.77 2.04 -0.96 -0.10 117.51 121.62 1jkv h ILE 77 Ca 0.26 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1jkv h ILE 77 Cb 0.00 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.33 1jkv h ILE 77 CO -0.10 0.15 0.34 1.23 0.00 0.00 0.00 178.15 179.77 1jkv h GLY 78 N 0.81 0.87 1.01 5.37 0.00 -0.75 -1.09 103.07 109.29 1jkv h GLY 78 Ca 0.22 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 1jkv h GLY 78 CO -0.05 0.37 0.29 -0.97 0.00 0.00 0.00 176.54 176.17 1jkv h TYR 79 N 0.80 1.02 0.00 5.60 0.05 -1.00 -2.81 116.97 120.63 1jkv h TYR 79 Ca 0.21 -0.07 -0.02 0.00 0.05 0.00 0.00 58.73 58.90 1jkv h TYR 79 Cb 0.01 -0.31 -0.00 0.00 1.01 0.00 0.00 36.73 37.44 1jkv h TYR 79 CO -0.02 0.78 -0.11 -0.07 -1.05 0.00 0.00 178.16 177.69 1jkv h LEU 80 N 0.96 0.00 -0.35 3.88 3.38 -0.41 -2.15 115.31 120.63 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 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1jkv h LEU 80 CO -0.02 0.11 -0.14 0.18 0.09 0.00 0.00 178.44 178.66 1jkv n LEU 81 N -3.63 0.69 -4.66 1.67 4.77 -0.47 -1.16 117.00 114.21 1jkv n LEU 81 Ca -0.02 -0.10 -0.46 0.00 -0.03 0.00 0.00 56.01 55.40 1jkv n LEU 81 Cb 0.23 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1jkv n LEU 81 CO 0.30 0.13 1.02 -0.62 -1.33 0.00 0.00 177.39 176.89 1jkv n GLU 82 N -0.79 1.93 -1.32 3.23 1.02 -0.81 -1.88 120.64 122.02 1jkv n GLU 82 Ca 0.14 0.69 -0.11 0.00 -0.02 0.00 0.00 57.16 57.86 1jkv n GLU 82 Cb 0.30 -2.36 -0.05 0.00 -0.02 0.00 0.00 31.44 29.31 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 2.48 -5.40 -4.77 1.62 8.00 -1.26 -4.79 116.55 112.42 1jkv n ASP 83 Ca 0.14 0.27 -0.40 0.00 0.71 0.00 0.00 54.79 55.50 1jkv n ASP 83 Cb 0.29 -3.86 -0.00 0.00 -0.02 0.00 0.00 41.12 37.53 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 -2.04 3.39 0.32 2.24 0.00 -0.79 -4.96 121.76 119.92 1jkv s ALA 84 Ca 0.00 1.40 -0.27 0.00 0.00 0.00 0.00 51.96 53.08 1jkv s ALA 84 Cb 0.00 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.48 1jkv s ALA 84 CO 0.00 -0.95 1.08 -1.25 0.00 0.00 0.00 175.76 174.64 1jkv s PRO 85 N -2.17 4.47 0.00 0.00 0.04 -1.26 -4.93 135.00 131.14 1jkv s PRO 85 Ca 0.55 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1jkv s PRO 85 Cb -0.42 -2.96 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1jkv s PRO 85 CO 0.56 0.09 0.00 1.97 0.04 0.00 0.00 177.00 179.66 1jkv n PHE 86 N 0.74 0.00 -3.69 0.56 1.16 -1.26 -4.82 117.46 110.15 1jkv n PHE 86 Ca 0.01 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.51 1jkv n PHE 86 Cb 0.47 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 0.41 -1.87 0.00 0.00 176.76 175.30 1jkv n GLY 87 N 0.00 1.11 0.40 4.97 0.00 -1.26 -5.05 105.19 105.36 1jkv n GLY 87 Ca 0.00 -1.23 0.19 0.00 0.00 0.00 0.00 46.02 44.98 1jkv n GLY 87 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jkv h PRO 88 N 0.00 0.41 -0.03 1.61 0.11 -2.01 -1.18 132.00 130.91 1jkv h PRO 88 Ca -0.29 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.73 1jkv h PRO 88 Cb 1.08 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1jkv h PRO 88 CO 0.37 0.27 -0.27 1.49 -0.21 0.00 0.00 178.00 179.65 1jkv h GLU 89 N 0.42 0.05 -0.29 1.05 4.57 -1.99 -0.26 114.58 118.13 1jkv h GLU 89 Ca 0.47 -0.02 -0.16 0.00 -1.18 0.00 0.00 59.36 58.48 1jkv h GLU 89 Cb 1.15 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 1jkv h GLU 89 CO -0.18 0.32 -0.46 -0.44 -1.18 0.00 0.00 179.01 177.07 1jkv h ASP 90 N 0.05 0.83 0.53 1.04 3.32 -1.62 -2.30 116.42 118.26 1jkv h ASP 90 Ca 0.01 -0.40 -0.12 0.00 0.02 0.00 0.00 57.03 56.53 1jkv h ASP 90 Cb 0.51 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1jkv h ASP 90 CO 0.04 1.16 -0.56 -0.07 -1.72 0.00 0.00 179.24 178.08 1jkv h LEU 91 N 0.61 0.04 -0.72 1.55 3.38 -1.30 -1.19 115.31 117.67 1jkv h LEU 91 Ca 0.04 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1jkv h LEU 91 Cb 1.03 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 1jkv h LEU 91 CO 0.10 0.59 0.24 0.50 0.09 0.00 0.00 178.44 179.96 1jkv h LYS 92 N 0.03 1.11 -0.31 1.13 3.64 -0.94 -2.05 116.57 119.17 1jkv h LYS 92 Ca -0.00 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.12 1jkv h LYS 92 Cb 1.00 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 1jkv h LYS 92 CO 0.07 0.95 0.10 -0.09 -2.27 0.00 0.00 179.45 178.21 1jkv h ARG 93 N 1.06 0.49 -1.61 1.90 2.43 -1.12 -3.42 114.38 114.11 1jkv h ARG 93 Ca 0.23 -0.10 -0.23 0.00 -0.81 0.00 0.00 59.98 59.07 1jkv h ARG 93 Cb 0.29 -0.07 -0.27 0.00 -0.42 0.00 0.00 29.97 29.50 1jkv h ARG 93 CO -0.01 0.53 -0.57 0.34 -1.51 0.00 0.00 179.97 178.75 1jkv s ASP 94 N -5.82 0.18 0.62 -3.80 -1.08 -0.48 -5.02 116.67 101.27 1jkv s ASP 94 Ca -0.13 -0.96 0.32 0.00 -0.52 0.00 0.00 52.55 51.26 1jkv s ASP 94 Cb 0.09 1.12 1.79 0.00 -1.46 0.00 0.00 42.92 44.46 1jkv s ASP 94 CO 0.74 -0.27 2.10 -0.65 0.52 0.00 0.00 175.17 177.61 1jkv h PRO 95 N 7.42 0.00 0.00 4.34 0.11 -1.61 -1.51 132.00 140.75 1jkv h PRO 95 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1jkv h PRO 95 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1jkv h PRO 95 CO 0.19 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.85 1jkv n SER 96 N -3.45 0.57 0.00 -2.05 3.41 -1.26 -2.25 113.62 108.58 1jkv n SER 96 Ca 0.00 0.65 0.06 0.00 -0.26 0.00 0.00 58.87 59.33 1jkv n SER 96 Cb 0.31 -0.77 0.30 0.00 -0.26 0.00 0.00 64.21 63.79 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 -2.14 0.00 -0.35 1.04 4.77 -0.57 -3.24 117.00 116.52 1jkv n LEU 97 Ca 0.02 0.40 0.03 0.00 -0.03 0.00 0.00 56.01 56.44 1jkv n LEU 97 Cb 0.20 -0.40 0.20 0.00 -2.33 0.00 0.00 43.42 41.09 1jkv n LEU 97 CO 0.18 -0.22 1.26 0.00 -1.33 0.00 0.00 177.39 177.27 1jkv h ALA 98 N 2.53 1.45 -0.50 -1.18 0.00 -1.68 -0.82 119.26 119.06 1jkv h ALA 98 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1jkv h ALA 98 Cb 0.18 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1jkv h ALA 98 CO 0.00 0.40 0.17 1.15 0.00 0.00 0.00 179.25 180.97 1jkv h THR 99 N 1.11 1.23 -0.22 0.00 2.02 -1.83 -1.48 112.91 113.74 1jkv h THR 99 Ca 0.42 -0.74 0.01 0.00 0.77 0.00 0.00 66.41 66.87 1jkv h THR 99 Cb 0.20 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 1jkv h THR 99 CO -0.17 0.27 0.11 0.74 0.37 0.00 0.00 175.52 176.84 1jkv h THR 100 N 0.68 0.99 -0.79 3.16 2.02 -1.60 -2.60 112.91 114.77 1jkv h THR 100 Ca 0.16 -0.08 0.05 0.00 0.77 0.00 0.00 66.41 67.31 1jkv h THR 100 Cb 0.25 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 67.35 1jkv h THR 100 CO -0.01 0.04 0.49 0.24 0.37 0.00 0.00 175.52 176.65 1jkv h MET 101 N 0.23 0.89 -0.21 6.66 2.86 -1.00 -2.02 114.93 122.35 1jkv h MET 101 Ca 0.09 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1jkv h MET 101 Cb 0.02 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 1jkv h MET 101 CO -0.06 0.59 0.08 0.00 1.06 0.00 0.00 176.91 178.58 1jkv h ALA 102 N 1.36 1.76 -0.00 6.32 0.00 -0.89 -2.49 119.26 125.31 1jkv h ALA 102 Ca 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1jkv h ALA 102 Cb 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1jkv h ALA 102 CO -0.15 0.20 -0.34 0.41 0.00 0.00 0.00 179.25 179.38 1jkv n GLY 103 N -1.35 -0.94 3.84 0.00 0.00 -0.80 -4.96 105.19 100.99 1jkv n GLY 103 Ca 0.00 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.73 3.27 -0.32 1.61 1.00 -0.94 -4.89 119.30 116.30 1jkv s MET 104 Ca 0.19 0.86 -0.29 0.00 0.00 0.00 0.00 55.69 56.44 1jkv s MET 104 Cb 0.19 -2.03 0.01 0.00 0.00 0.00 0.00 34.83 32.99 1jkv s MET 104 CO 0.59 -0.84 1.15 0.34 0.00 0.00 0.00 175.02 176.27 1jkv s ASP 105 N -3.97 6.84 0.55 3.03 -1.08 -1.26 -4.93 116.67 115.85 1jkv s ASP 105 Ca 0.57 1.09 0.27 0.00 -0.52 0.00 0.00 52.55 53.96 1jkv s ASP 105 Cb -0.13 -2.54 1.45 0.00 -1.46 0.00 0.00 42.92 40.24 1jkv s ASP 105 CO 0.54 -0.95 1.97 -0.65 0.52 0.00 0.00 175.17 176.60 1jkv h PRO 106 N 8.49 0.00 0.00 4.34 0.11 -1.95 -1.78 132.00 141.21 1jkv h PRO 106 Ca -0.22 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.88 1jkv h PRO 106 Cb 1.07 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1jkv h PRO 106 CO 1.04 0.00 -0.05 0.93 -0.21 0.00 0.00 178.00 179.71 1jkv h GLU 107 N 0.00 0.00 -0.53 1.05 5.08 -1.97 -2.71 114.58 115.51 1jkv h GLU 107 Ca 0.26 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.70 1jkv h GLU 107 Cb 1.11 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.30 1jkv h GLU 107 CO -0.00 0.05 0.18 0.45 -1.00 0.00 0.00 179.01 178.69 1jkv h HIS 108 N 0.00 0.32 0.03 4.33 3.86 -1.62 -1.18 115.15 120.88 1jkv h HIS 108 Ca -0.00 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1jkv h HIS 108 Cb 0.81 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.22 1jkv h HIS 108 CO 0.00 0.09 -0.01 0.66 0.86 0.00 0.00 177.93 179.53 1jkv h SER 109 N 0.36 -0.03 -0.42 2.45 4.64 -1.75 0.26 113.55 119.06 1jkv h SER 109 Ca 0.26 -0.39 -0.05 0.00 -0.47 0.00 0.00 61.79 61.13 1jkv h SER 109 Cb 0.29 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 1jkv h SER 109 CO -0.27 0.65 0.05 0.25 -0.87 0.00 0.00 176.83 176.64 1jkv h LEU 110 N -0.99 0.68 0.08 5.97 5.85 -1.45 -1.91 115.31 123.53 1jkv h LEU 110 Ca -0.00 -0.27 -0.30 0.00 0.84 0.00 0.00 57.88 58.14 1jkv h LEU 110 Cb 0.42 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1jkv h LEU 110 CO 0.01 0.78 -1.61 0.58 -0.34 0.00 0.00 178.44 177.86 1jkv h VAL 111 N 0.55 0.82 -0.01 1.05 2.07 -1.47 -3.42 116.25 115.83 1jkv h VAL 111 Ca 0.12 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.34 1jkv h VAL 111 Cb 0.40 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1jkv h VAL 111 CO 0.01 0.66 -0.25 1.41 0.02 0.00 0.00 177.57 179.41 1jkv n HIS 112 N -3.91 0.00 -3.12 1.57 8.25 -0.94 -5.01 115.22 112.06 1jkv n HIS 112 Ca -0.30 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.02 1jkv n HIS 112 Cb 0.89 0.00 0.05 0.00 1.12 0.00 0.00 29.99 32.05 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 1.10 0.07 3.36 -1.41 0.00 -0.72 -3.31 105.19 104.28 1jkv n GLY 113 Ca 0.07 -0.13 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.12 -4.86 -4.16 0.99 4.77 0.90 -4.96 117.00 106.57 1jkv n LEU 114 Ca -0.01 -0.71 -0.10 0.00 -0.03 0.00 0.00 56.01 55.17 1jkv n LEU 114 Cb 0.54 -3.11 -0.10 0.00 -2.33 0.00 0.00 43.42 38.42 1jkv n LEU 114 CO 0.38 0.22 -0.32 0.20 -1.33 0.00 0.00 177.39 176.54 1jkv s ASN 115 N -3.73 0.60 0.65 -1.43 0.01 -1.21 -4.84 114.94 105.00 1jkv s ASN 115 Ca 0.30 -1.14 -0.17 0.00 -0.71 0.00 0.00 52.86 51.14 1jkv s ASN 115 Cb -0.05 0.22 -0.00 0.00 0.41 0.00 0.00 41.25 41.83 1jkv s ASN 115 CO 0.75 -0.65 1.24 0.00 -1.51 0.00 0.00 177.10 176.94 1jkv s ALA 116 N -3.90 2.36 0.52 0.60 0.00 -1.26 -4.78 121.76 115.28 1jkv s ALA 116 Ca 0.19 1.06 0.08 0.00 0.00 0.00 0.00 51.96 53.29 1jkv s ALA 116 Cb 0.07 -3.50 0.04 0.00 0.00 0.00 0.00 23.12 19.74 1jkv s ALA 116 CO -0.01 -1.54 0.59 -1.54 0.00 0.00 0.00 175.76 173.26 1jkv s SER 117 N -1.64 5.06 -0.44 0.00 1.04 -1.26 -4.98 113.70 111.48 1jkv s SER 117 Ca 0.79 -0.86 0.04 0.00 0.48 0.00 0.00 55.95 56.40 1jkv s SER 117 Cb -0.33 0.03 0.55 0.00 0.10 0.00 0.00 66.02 66.37 1jkv s SER 117 CO 0.39 -1.07 1.74 -0.11 0.98 0.00 0.00 173.24 175.17 1jkv n LEU 118 N -1.94 6.01 -4.84 2.42 7.94 -1.26 -4.75 117.00 120.57 1jkv n LEU 118 Ca 0.08 -3.94 -0.22 0.00 -1.11 0.00 0.00 56.01 50.82 1jkv n LEU 118 Cb 0.62 -0.76 -0.04 0.00 0.53 0.00 0.00 43.42 43.76 1jkv n LEU 118 CO 0.40 1.32 -0.05 0.20 -1.11 0.00 0.00 177.39 178.16 1jkv s ASN 119 N -2.03 4.91 0.95 1.96 0.01 -1.26 -1.84 114.94 117.63 1jkv s ASN 119 Ca 0.55 -0.81 -0.11 0.00 -0.71 0.00 0.00 52.86 51.78 1jkv s ASN 119 Cb 0.46 -0.58 0.17 0.00 0.41 0.00 0.00 41.25 41.71 1jkv s ASN 119 CO 0.04 -0.60 1.03 -0.46 -1.51 0.00 0.00 177.10 175.60 1jkv n ASN 120 N -1.45 0.24 0.34 -1.22 0.23 -0.43 -3.65 115.26 109.32 1jkv n ASN 120 Ca 0.02 -1.47 0.22 0.00 -0.53 0.00 0.00 54.58 52.82 1jkv n ASN 120 Cb 0.62 -0.77 1.18 0.00 -2.08 0.00 0.00 39.78 38.73 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 -0.71 -0.53 0.11 -1.78 -1.88 132.00 127.21 1jkv h PRO 121 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1jkv h PRO 121 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1jkv h PRO 121 CO 0.25 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.13 1jkv n ASN 122 N -3.14 3.86 0.00 -2.05 3.02 -1.26 -4.89 115.26 110.80 1jkv n ASN 122 Ca -0.03 -2.04 0.00 0.00 -0.03 0.00 0.00 54.58 52.48 1jkv n ASN 122 Cb 0.09 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 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 1.58 0.67 3.69 7.41 0.00 -0.71 -5.01 105.19 112.83 1jkv n GLY 123 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.64 3.42 0.32 4.61 0.00 -1.26 -4.77 121.76 121.44 1jkv s ALA 124 Ca 0.00 0.42 -0.29 0.00 0.00 0.00 0.00 51.96 52.09 1jkv s ALA 124 Cb 0.00 -3.45 -0.11 0.00 0.00 0.00 0.00 23.12 19.56 1jkv s ALA 124 CO 0.00 -0.63 1.54 0.00 0.00 0.00 0.00 175.76 176.66 1jkv s ALA 125 N 2.05 3.67 0.34 0.00 0.00 -1.26 -1.31 121.76 125.24 1jkv s ALA 125 Ca 0.50 1.55 -0.28 0.00 0.00 0.00 0.00 51.96 53.72 1jkv s ALA 125 Cb -0.19 -3.62 -0.12 0.00 0.00 0.00 0.00 23.12 19.18 1jkv s ALA 125 CO 0.19 -0.98 1.30 1.87 0.00 0.00 0.00 175.76 178.13 1jkv n TRP 126 N 1.53 2.30 -3.95 0.00 -0.00 -0.77 -4.89 117.44 111.67 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 -2.42 -0.09 0.00 -0.00 0.00 0.00 31.31 29.18 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 -0.28 0.23 0.32 5.87 2.20 -1.26 -5.04 114.94 116.97 1jkv s ASN 127 Ca 0.56 -0.66 0.25 0.00 -0.94 0.00 0.00 52.86 52.07 1jkv s ASN 127 Cb -0.57 0.25 1.13 0.00 -2.00 0.00 0.00 41.25 40.06 1jkv s ASN 127 CO 0.62 -0.58 1.74 0.00 -2.94 0.00 0.00 177.10 175.95 1jkv h ALA 128 N 3.35 1.00 0.00 3.54 0.00 -1.97 -1.92 119.26 123.27 1jkv h ALA 128 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1jkv h ALA 128 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1jkv h ALA 128 CO 0.55 0.00 0.00 0.78 0.00 0.00 0.00 179.25 180.58 1jkv h GLY 129 N 1.46 0.00 2.00 0.00 0.00 -2.00 -1.25 103.07 103.27 1jkv h GLY 129 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jkv h GLY 129 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.82 1jkv n TYR 130 N -2.32 0.89 -3.66 5.60 4.01 -0.72 -4.86 117.16 116.10 1jkv n TYR 130 Ca -0.01 0.30 -0.37 0.00 -0.16 0.00 0.00 57.90 57.66 1jkv n TYR 130 Cb 0.08 -0.98 -0.06 0.00 -0.31 0.00 0.00 39.34 38.07 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 -3.20 5.30 -0.11 -0.72 1.01 -0.48 -5.00 120.40 117.19 1jkv s VAL 131 Ca 0.08 0.50 0.03 0.00 0.00 0.00 0.00 61.98 62.59 1jkv s VAL 131 Cb 0.11 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1jkv s VAL 131 CO 0.51 0.53 -0.22 -0.89 0.00 0.00 0.00 175.10 175.03 1jkv s THR 132 N -0.54 2.19 -0.27 3.92 2.01 -1.26 -5.06 115.64 116.62 1jkv s THR 132 Ca 0.18 -0.96 -0.01 0.00 0.31 0.00 0.00 61.69 61.21 1jkv s THR 132 Cb -0.14 -1.86 0.13 0.00 0.01 0.00 0.00 72.50 70.65 1jkv s THR 132 CO 0.07 0.55 0.30 -0.55 -0.69 0.00 0.00 174.62 174.29 1jkv s SER 133 N 0.47 1.47 -0.02 3.53 0.15 -1.26 -4.79 113.70 113.24 1jkv s SER 133 Ca -0.15 -0.58 0.22 0.00 0.70 0.00 0.00 55.95 56.13 1jkv s SER 133 Cb -0.17 0.56 -0.32 0.00 -1.71 0.00 0.00 66.02 64.38 1jkv s SER 133 CO 0.06 -0.37 0.55 -1.54 1.20 0.00 0.00 173.24 173.14 1jkv n SER 134 N 5.32 0.17 0.00 5.45 3.41 -1.26 -4.98 113.62 121.72 1jkv n SER 134 Ca -0.03 -0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1jkv n SER 134 Cb 0.47 1.82 0.00 0.00 -0.26 0.00 0.00 64.21 66.25 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 1.30 2.35 3.30 5.00 0.00 -1.26 -5.05 105.19 110.82 1jkv n GLY 135 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.45 4.87 0.12 1.61 3.84 -1.26 -5.00 114.94 117.67 1jkv s ASN 136 Ca 0.00 -0.77 0.26 0.00 0.21 0.00 0.00 52.86 52.57 1jkv s ASN 136 Cb 0.00 -1.81 0.82 0.00 -0.55 0.00 0.00 41.25 39.71 1jkv s ASN 136 CO 0.00 -0.17 1.71 0.18 -2.79 0.00 0.00 177.10 176.03 1jkv n LEU 137 N 4.80 0.55 -0.06 3.21 4.77 -1.26 -1.23 117.00 127.78 1jkv n LEU 137 Ca -0.15 0.45 -0.12 0.00 -0.03 0.00 0.00 56.01 56.16 1jkv n LEU 137 Cb 0.48 -0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 41.17 1jkv n LEU 137 CO 0.30 -0.09 0.74 0.58 -1.33 0.00 0.00 177.39 177.59 1jkv h VAL 138 N 0.00 1.26 -0.19 4.08 2.07 -1.94 0.11 116.25 121.64 1jkv h VAL 138 Ca 0.00 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.60 1jkv h VAL 138 Cb 0.66 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1jkv h VAL 138 CO 0.00 0.27 -0.00 0.00 0.02 0.00 0.00 177.57 177.86 1jkv h ALA 139 N 0.76 0.26 -0.01 1.67 0.00 -1.98 -3.06 119.26 116.90 1jkv h ALA 139 Ca 0.05 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 1jkv h ALA 139 Cb 0.41 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1jkv h ALA 139 CO 0.01 -0.02 -0.70 -0.44 0.00 0.00 0.00 179.25 178.10 1jkv h ASP 140 N 0.10 0.08 -0.41 0.00 3.32 -1.13 -1.10 116.42 117.28 1jkv h ASP 140 Ca 0.05 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1jkv h ASP 140 Cb 0.39 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1jkv h ASP 140 CO 0.01 0.75 0.04 0.24 -1.72 0.00 0.00 179.24 178.56 1jkv h MET 141 N 0.04 0.78 -0.33 3.56 2.86 -0.85 0.34 114.93 121.33 1jkv h MET 141 Ca -0.01 -0.19 -0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1jkv h MET 141 Cb 1.23 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.77 1jkv h MET 141 CO 0.10 0.76 0.21 0.00 1.06 0.00 0.00 176.91 179.03 1jkv h ARG 142 N 0.74 0.45 -0.86 1.72 3.08 -1.33 -1.35 114.38 116.83 1jkv h ARG 142 Ca 0.15 -0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.28 1jkv h ARG 142 Cb 0.39 -0.10 -0.08 0.00 0.08 0.00 0.00 29.97 30.26 1jkv h ARG 142 CO 0.01 0.33 0.48 0.35 -1.07 0.00 0.00 179.97 180.07 1jkv h PHE 143 N 0.44 0.87 -0.38 3.04 3.57 -0.66 -1.55 116.94 122.27 1jkv h PHE 143 Ca 0.12 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.54 1jkv h PHE 143 Cb -0.01 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 1jkv h PHE 143 CO -0.04 0.31 -0.23 -0.91 -2.23 0.00 0.00 178.31 175.21 1jkv h ASN 144 N 0.77 0.76 -0.55 0.41 2.35 -0.46 0.16 115.58 119.02 1jkv h ASN 144 Ca 0.43 -0.27 0.03 0.00 -0.55 0.00 0.00 56.30 55.94 1jkv h ASN 144 Cb 0.47 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.60 1jkv h ASN 144 CO -0.28 0.97 0.33 0.58 -1.65 0.00 0.00 177.43 177.37 1jkv h VAL 145 N 0.65 1.05 -0.29 2.81 2.07 -0.79 -1.75 116.25 120.01 1jkv h VAL 145 Ca 0.09 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1jkv h VAL 145 Cb 0.73 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1jkv h VAL 145 CO 0.06 0.12 0.17 0.58 0.02 0.00 0.00 177.57 178.51 1jkv h VAL 146 N 0.65 1.11 -0.51 2.57 2.07 -0.44 -0.51 116.25 121.19 1jkv h VAL 146 Ca 0.22 -0.28 0.09 0.00 0.82 0.00 0.00 66.70 67.55 1jkv h VAL 146 Cb 0.03 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 30.51 1jkv h VAL 146 CO -0.10 0.11 0.09 -0.09 0.02 0.00 0.00 177.57 177.60 1jkv h ARG 147 N 0.36 0.22 0.00 1.57 1.12 -0.44 0.36 114.38 117.56 1jkv h ARG 147 Ca 0.10 -0.01 -0.10 0.00 -1.11 0.00 0.00 59.98 58.86 1jkv h ARG 147 Cb 0.04 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 29.93 1jkv h ARG 147 CO -0.02 0.15 -0.47 0.93 -3.11 0.00 0.00 179.97 177.45 1jkv h GLU 148 N 0.23 0.00 -0.05 0.20 4.39 -1.12 -1.58 114.58 116.66 1jkv h GLU 148 Ca 0.26 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.93 1jkv h GLU 148 Cb 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 1jkv h GLU 148 CO -0.35 0.47 -0.10 0.77 -1.16 0.00 0.00 179.01 178.64 1jkv h SER 149 N 0.00 0.16 -0.62 1.42 0.02 -0.22 -1.10 113.55 113.20 1jkv h SER 149 Ca -0.00 -0.58 -0.07 0.00 -0.84 0.00 0.00 61.79 60.30 1jkv h SER 149 Cb 0.92 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.39 1jkv h SER 149 CO 0.06 0.71 0.10 -0.33 -1.14 0.00 0.00 176.83 176.23 1jkv h GLU 150 N -0.38 1.03 -0.18 3.45 4.39 -0.96 -1.40 114.58 120.53 1jkv h GLU 150 Ca 0.00 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.41 1jkv h GLU 150 Cb 0.68 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1jkv h GLU 150 CO 0.02 0.96 0.06 0.00 -1.16 0.00 0.00 179.01 178.90 1jkv h ALA 151 N 1.03 0.24 -0.09 3.43 0.00 -1.35 -2.01 119.26 120.51 1jkv h ALA 151 Ca 0.19 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1jkv h ALA 151 Cb 0.43 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1jkv h ALA 151 CO 0.01 -0.16 -0.24 -0.09 0.00 0.00 0.00 179.25 178.77 1jkv h ARG 152 N 0.13 0.15 -0.29 0.00 2.43 -1.07 0.56 114.38 116.28 1jkv h ARG 152 Ca 0.06 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1jkv h ARG 152 Cb 0.20 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1jkv h ARG 152 CO -0.00 0.39 0.18 1.25 -1.51 0.00 0.00 179.97 180.28 1jkv h LEU 153 N 0.14 0.35 -0.53 3.80 5.85 -1.13 -0.18 115.31 123.60 1jkv h LEU 153 Ca 0.02 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1jkv h LEU 153 Cb 0.51 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1jkv h LEU 153 CO 0.04 0.29 0.21 1.56 -0.34 0.00 0.00 178.44 180.20 1jkv h GLN 154 N 0.38 0.80 -0.92 1.25 4.20 -0.59 -1.50 115.11 118.72 1jkv h GLN 154 Ca 0.11 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1jkv h GLN 154 Cb 0.00 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.61 1jkv h GLN 154 CO -0.02 0.70 0.53 0.28 -0.67 0.00 0.00 178.83 179.65 1jkv h VAL 155 N 0.72 1.26 -0.80 -0.54 2.07 -0.78 0.39 116.25 118.57 1jkv h VAL 155 Ca 0.18 -0.60 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1jkv h VAL 155 Cb 0.20 -0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 29.92 1jkv h VAL 155 CO -0.01 0.28 0.47 0.28 0.02 0.00 0.00 177.57 178.61 1jkv h SER 156 N 1.27 0.97 -0.26 0.57 0.02 -0.79 -1.60 113.55 113.72 1jkv h SER 156 Ca 0.33 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.18 1jkv h SER 156 Cb -0.02 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 1jkv h SER 156 CO -0.06 0.76 0.05 0.03 -1.14 0.00 0.00 176.83 176.47 1jkv h ARG 157 N 1.10 0.43 -0.82 3.45 3.08 -0.63 -2.69 114.38 118.30 1jkv h ARG 157 Ca 0.29 -0.11 0.16 0.00 0.07 0.00 0.00 59.98 60.38 1jkv h ARG 157 Cb -0.03 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 29.91 1jkv h ARG 157 CO -0.05 0.54 0.54 -0.07 -1.07 0.00 0.00 179.97 179.86 1jkv h LEU 158 N 0.25 0.47 -1.52 3.04 3.38 -0.60 -1.18 115.31 119.15 1jkv h LEU 158 Ca 0.08 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1jkv h LEU 158 Cb 0.31 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1jkv h LEU 158 CO 0.00 0.23 0.36 0.22 0.09 0.00 0.00 178.44 179.34 1jkv h TYR 159 N 0.49 0.61 -0.40 1.13 3.20 -0.95 -0.52 116.97 120.54 1jkv h TYR 159 Ca 0.41 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.30 1jkv h TYR 159 Cb 0.88 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.95 1jkv h TYR 159 CO -0.00 0.36 0.00 0.43 -1.64 0.00 0.00 178.16 177.30 1jkv n SER 160 N -4.47 2.15 -0.53 -2.11 7.64 -0.47 -3.90 113.62 111.94 1jkv n SER 160 Ca 0.06 -2.01 0.05 0.00 1.01 0.00 0.00 58.87 57.98 1jkv n SER 160 Cb 0.13 -0.27 0.11 0.00 -1.01 0.00 0.00 64.21 63.17 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 0.66 1.96 -3.76 1.43 2.81 -0.20 -4.99 117.12 115.03 1jkv n MET 161 Ca 0.13 -1.68 -0.10 0.00 -1.81 0.00 0.00 57.70 54.24 1jkv n MET 161 Cb 0.34 -1.23 -0.07 0.00 -0.71 0.00 0.00 33.22 31.56 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 -0.95 0.10 -0.61 2.03 -1.32 -1.22 -4.97 115.64 108.70 1jkv s THR 162 Ca 0.18 -0.81 0.06 0.00 -1.21 0.00 0.00 61.69 59.91 1jkv s THR 162 Cb 0.10 -1.11 0.13 0.00 -1.51 0.00 0.00 72.50 70.11 1jkv s THR 162 CO 0.14 -0.45 0.98 -0.62 -2.21 0.00 0.00 174.62 172.46 1jkv n GLU 163 N 0.21 1.82 -2.16 7.08 1.02 -1.26 -4.93 120.64 122.43 1jkv n GLU 163 Ca -0.17 -1.47 -0.43 0.00 -0.02 0.00 0.00 57.16 55.08 1jkv n GLU 163 Cb 0.61 -1.14 -0.02 0.00 -0.02 0.00 0.00 31.44 30.87 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 -0.82 6.68 0.40 1.62 -1.08 -1.26 -4.90 116.67 117.31 1jkv s ASP 164 Ca 0.11 1.93 0.20 0.00 -0.52 0.00 0.00 52.55 54.26 1jkv s ASP 164 Cb 0.06 -2.53 0.81 0.00 -1.46 0.00 0.00 42.92 39.79 1jkv s ASP 164 CO 0.08 -0.96 1.79 -0.33 0.52 0.00 0.00 175.17 176.28 1jkv h GLU 165 N 9.42 0.00 -0.26 4.34 4.39 -1.98 -0.82 114.58 129.67 1jkv h GLU 165 Ca -0.34 0.00 -0.10 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 29.79 1jkv h GLU 165 CO 0.97 0.32 -0.24 0.78 -1.16 0.00 0.00 179.01 179.69 1jkv h GLY 166 N 1.84 0.68 0.98 -3.84 0.00 -1.91 -0.40 103.07 100.42 1jkv h GLY 166 Ca -0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 46.63 1jkv h GLY 166 CO 0.04 0.62 0.27 -2.08 0.00 0.00 0.00 176.54 175.40 1jkv h VAL 167 N 0.35 1.17 -0.58 4.60 2.07 -1.69 -2.90 116.25 119.28 1jkv h VAL 167 Ca 0.04 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 1jkv h VAL 167 Cb 0.79 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1jkv h VAL 167 CO 0.06 0.18 0.19 0.03 0.02 0.00 0.00 177.57 178.06 1jkv h ARG 168 N 0.67 0.86 -0.45 1.57 3.08 -1.09 -1.74 114.38 117.26 1jkv h ARG 168 Ca 0.18 -0.15 0.03 0.00 0.07 0.00 0.00 59.98 60.11 1jkv h ARG 168 Cb 0.05 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 1jkv h ARG 168 CO -0.03 0.73 0.24 0.22 -1.07 0.00 0.00 179.97 180.06 1jkv h ASP 169 N 0.84 0.35 -0.34 7.04 3.58 -0.87 0.30 116.42 127.32 1jkv h ASP 169 Ca 0.19 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.66 1jkv h ASP 169 Cb 0.23 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 1jkv h ASP 169 CO -0.01 0.25 0.21 -0.03 -2.88 0.00 0.00 179.24 176.78 1jkv h MET 170 N 0.47 0.45 -0.77 0.28 4.05 -1.26 -2.67 114.93 115.47 1jkv h MET 170 Ca 0.19 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.58 1jkv h MET 170 Cb 0.08 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 30.75 1jkv h MET 170 CO -0.12 0.33 0.49 -0.07 0.23 0.00 0.00 176.91 177.77 1jkv h LEU 171 N 0.44 0.90 -1.08 3.39 3.38 -0.81 -1.78 115.31 119.75 1jkv h LEU 171 Ca 0.12 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1jkv h LEU 171 Cb -0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1jkv h LEU 171 CO -0.02 0.67 0.03 0.11 0.09 0.00 0.00 178.44 179.31 1jkv h LYS 172 N 1.06 0.68 -0.11 1.13 1.57 -0.75 0.58 116.57 120.73 1jkv h LYS 172 Ca 0.28 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1jkv h LYS 172 Cb -0.09 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.12 1jkv h LYS 172 CO -0.06 0.68 -0.01 0.35 -0.57 0.00 0.00 179.45 179.84 1jkv h PHE 173 N 0.65 0.22 -0.75 -1.35 3.57 -1.08 -2.90 116.94 115.30 1jkv h PHE 173 Ca 0.14 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 1jkv h PHE 173 Cb 0.36 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1jkv h PHE 173 CO 0.02 0.46 0.31 -0.07 -2.23 0.00 0.00 178.31 176.80 1jkv h LEU 174 N -0.09 1.02 -0.75 0.59 3.38 -0.96 -1.37 115.31 117.14 1jkv h LEU 174 Ca 0.03 -0.14 0.08 0.00 0.09 0.00 0.00 57.88 57.94 1jkv h LEU 174 Cb 0.38 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 1jkv h LEU 174 CO 0.01 0.90 0.41 -0.07 0.09 0.00 0.00 178.44 179.78 1jkv h LEU 175 N 1.09 0.59 -0.45 1.67 3.38 -0.92 0.54 115.31 121.21 1jkv h LEU 175 Ca 0.25 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.17 1jkv h LEU 175 Cb 0.19 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1jkv h LEU 175 CO -0.02 0.35 -0.11 0.00 0.09 0.00 0.00 178.44 178.75 1jkv h ALA 176 N 1.41 0.62 -0.49 1.53 0.00 -1.15 -1.38 119.26 119.80 1jkv h ALA 176 Ca 0.35 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1jkv h ALA 176 Cb 0.29 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1jkv h ALA 176 CO -0.23 0.51 -0.01 0.00 0.00 0.00 0.00 179.25 179.52 1jkv h ARG 177 N 0.70 0.82 -0.09 0.00 2.47 -0.85 -1.95 114.38 115.48 1jkv h ARG 177 Ca 0.11 -0.23 -0.07 0.00 -1.26 0.00 0.00 59.98 58.54 1jkv h ARG 177 Cb 0.65 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.86 1jkv h ARG 177 CO 0.04 0.83 -0.25 0.93 0.56 0.00 0.00 179.97 182.08 1jkv h GLU 178 N 0.76 0.16 -0.08 0.04 5.08 -0.71 0.58 114.58 120.42 1jkv h GLU 178 Ca 0.15 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1jkv h GLU 178 Cb 0.47 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1jkv h GLU 178 CO 0.02 0.41 0.03 1.15 -1.00 0.00 0.00 179.01 179.62 1jkv h THR 179 N 0.15 1.14 -0.65 1.13 2.02 -0.75 0.12 112.91 116.06 1jkv h THR 179 Ca 0.02 -0.40 0.02 0.00 0.77 0.00 0.00 66.41 66.83 1jkv h THR 179 Cb 0.53 1.26 -0.04 0.00 -1.74 0.00 0.00 68.15 68.16 1jkv h THR 179 CO 0.04 0.12 0.41 -0.61 0.37 0.00 0.00 175.52 175.84 1jkv h GLN 180 N -0.03 0.79 -0.38 6.66 5.75 -1.05 -0.85 115.11 126.01 1jkv h GLN 180 Ca 0.03 -0.05 -0.11 0.00 -0.15 0.00 0.00 58.65 58.36 1jkv h GLN 180 Cb 0.16 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 1jkv h GLN 180 CO -0.00 0.52 -0.21 0.45 -2.65 0.00 0.00 178.83 176.94 1jkv h HIS 181 N 0.81 0.94 -0.37 3.99 3.86 -0.74 0.54 115.15 124.18 1jkv h HIS 181 Ca 0.26 -0.24 0.07 0.00 -1.16 0.00 0.00 60.37 59.30 1jkv h HIS 181 Cb -0.00 -0.21 -0.06 0.00 1.06 0.00 0.00 27.41 28.19 1jkv h HIS 181 CO -0.04 1.00 -0.02 1.96 0.86 0.00 0.00 177.93 181.69 1jkv h GLN 182 N 0.61 0.08 -0.41 2.45 4.20 -0.74 -1.42 115.11 119.89 1jkv h GLN 182 Ca 0.08 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 1jkv h GLN 182 Cb 0.77 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.51 1jkv h GLN 182 CO 0.06 0.05 0.07 -0.07 -0.67 0.00 0.00 178.83 178.27 1jkv h LEU 183 N 0.08 0.64 -0.73 1.46 3.38 -0.78 -0.53 115.31 118.82 1jkv h LEU 183 Ca 0.18 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1jkv h LEU 183 Cb 0.26 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1jkv h LEU 183 CO -0.32 0.73 0.04 0.06 0.09 0.00 0.00 178.44 179.04 1jkv h GLN 184 N 0.52 1.01 -0.08 1.13 3.07 -0.79 -1.04 115.11 118.93 1jkv h GLN 184 Ca 0.12 -0.29 -0.13 0.00 0.09 0.00 0.00 58.65 58.45 1jkv h GLN 184 Cb 0.36 -0.11 -0.01 0.00 0.08 0.00 0.00 27.48 27.80 1jkv h GLN 184 CO 0.01 0.96 -0.52 0.74 0.09 0.00 0.00 178.83 180.11 1jkv h PHE 185 N 0.93 0.28 -0.50 0.06 0.04 -1.13 -1.64 116.94 114.98 1jkv h PHE 185 Ca 0.18 -0.09 -0.10 0.00 2.80 0.00 0.00 57.97 60.75 1jkv h PHE 185 Cb 0.49 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.56 1jkv h PHE 185 CO 0.03 0.70 -0.10 0.52 -0.60 0.00 0.00 178.31 178.86 1jkv h MET 186 N 0.18 0.93 -0.34 1.51 2.86 -0.82 0.64 114.93 119.89 1jkv h MET 186 Ca 0.00 -0.33 -0.03 0.00 -2.06 0.00 0.00 59.70 57.28 1jkv h MET 186 Cb 0.98 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.56 1jkv h MET 186 CO 0.08 0.98 0.08 -0.22 1.06 0.00 0.00 176.91 178.89 1jkv h LYS 187 N 0.83 0.54 -0.42 1.72 1.63 -0.96 -0.75 116.57 119.16 1jkv h LYS 187 Ca 0.13 -0.13 0.02 0.00 -0.85 0.00 0.00 60.65 59.83 1jkv h LYS 187 Cb 0.64 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.16 1jkv h LYS 187 CO 0.04 0.60 0.24 0.00 -3.45 0.00 0.00 179.45 176.88 1jkv h ALA 188 N 0.92 0.53 -0.36 5.00 0.00 -1.18 -1.42 119.26 122.76 1jkv h ALA 188 Ca 0.11 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1jkv h ALA 188 Cb 0.30 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 1jkv h ALA 188 CO 0.00 -0.10 -0.13 0.37 0.00 0.00 0.00 179.25 179.40 1jkv h GLN 189 N 0.48 -0.06 -0.53 0.00 4.15 -0.69 0.24 115.11 118.71 1jkv h GLN 189 Ca 0.17 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.50 1jkv h GLN 189 Cb 0.03 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 1jkv h GLN 189 CO -0.09 -0.04 -0.06 0.93 -1.93 0.00 0.00 178.83 177.64 1jkv h GLU 190 N -0.06 0.95 -0.50 1.69 5.08 -0.79 0.41 114.58 121.37 1jkv h GLU 190 Ca 0.18 -0.31 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 1jkv h GLU 190 Cb 0.33 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1jkv h GLU 190 CO -0.40 0.97 0.15 0.93 -1.00 0.00 0.00 179.01 179.67 1jkv h GLU 191 N 0.86 0.77 -0.32 2.33 5.08 -0.94 -1.21 114.58 121.15 1jkv h GLU 191 Ca 0.15 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 1jkv h GLU 191 Cb 0.59 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1jkv h GLU 191 CO 0.04 0.72 -0.19 -0.07 -1.00 0.00 0.00 179.01 178.51 1jkv h LEU 192 N 0.67 0.59 -0.75 1.33 3.38 -0.64 -1.82 115.31 118.07 1jkv h LEU 192 Ca 0.16 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1jkv h LEU 192 Cb 0.27 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1jkv h LEU 192 CO -0.00 0.78 -0.09 -0.33 0.09 0.00 0.00 178.44 178.89 1jkv h GLU 193 N 0.53 0.86 -0.55 1.13 5.08 -0.69 -0.44 114.58 120.51 1jkv h GLU 193 Ca 0.09 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 58.11 1jkv h GLU 193 Cb 0.62 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1jkv h GLU 193 CO 0.04 0.92 0.13 1.05 -1.00 0.00 0.00 179.01 180.15 1jkv h GLU 194 N 0.78 0.84 -0.11 2.33 4.11 -0.88 0.75 114.58 122.40 1jkv h GLU 194 Ca 0.13 -0.17 -0.10 0.00 0.07 0.00 0.00 59.36 59.29 1jkv h GLU 194 Cb 0.60 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1jkv h GLU 194 CO 0.04 0.76 -0.33 -0.22 0.07 0.00 0.00 179.01 179.33 1jkv h LYS 195 N 0.81 0.43 0.00 1.06 3.64 -0.99 -3.39 116.57 118.12 1jkv h LYS 195 Ca 0.18 -0.30 -0.04 0.00 -1.27 0.00 0.00 60.65 59.22 1jkv h LYS 195 Cb 0.30 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1jkv h LYS 195 CO -0.00 0.92 -1.56 0.66 -2.27 0.00 0.00 179.45 177.20 1jkv n TYR 196 N -4.38 0.00 0.00 1.91 4.01 -0.20 -5.11 117.16 113.38 1jkv n TYR 196 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1jkv n TYR 196 Cb 0.50 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 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 1.95 3.72 0.22 2.72 0.00 0.26 -4.06 105.19 110.00 1jkv n GLY 197 Ca -0.05 -1.69 0.10 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 1.00 0.43 -2.87 -0.61 6.09 -1.94 -3.40 117.51 116.22 1jkv h ILE 198 Ca 0.00 -1.19 -0.64 0.00 -1.37 0.00 0.00 64.86 61.66 1jkv h ILE 198 Cb 0.00 1.87 -0.09 0.00 0.47 0.00 0.00 36.82 39.08 1jkv h ILE 198 CO 0.00 0.20 -0.47 -0.63 -3.07 0.00 0.00 178.15 174.17 1jkv s ILE 199 N -3.47 5.46 -0.20 2.19 -1.09 -1.26 -5.07 121.20 117.77 1jkv s ILE 199 Ca 0.02 0.23 -0.09 0.00 -2.23 0.00 0.00 60.65 58.58 1jkv s ILE 199 Cb 0.09 -3.44 -0.05 0.00 -1.58 0.00 0.00 42.46 37.48 1jkv s ILE 199 CO 0.64 0.56 0.11 -0.69 -1.23 0.00 0.00 174.94 174.33 1jkv s VAL 200 N -0.55 5.21 0.61 2.92 1.01 -1.26 -1.76 120.40 126.59 1jkv s VAL 200 Ca 0.13 0.12 -0.13 0.00 0.00 0.00 0.00 61.98 62.09 1jkv s VAL 200 Cb -0.12 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 1jkv s VAL 200 CO 0.02 0.44 1.04 -2.84 0.00 0.00 0.00 175.10 173.76 1jkv s PRO 201 N 0.38 3.39 0.00 2.72 0.02 -1.26 -5.07 135.00 135.19 1jkv s PRO 201 Ca 0.06 0.98 0.31 0.00 0.02 0.00 0.00 61.00 62.37 1jkv s PRO 201 Cb -0.11 -2.05 1.72 0.00 0.02 0.00 0.00 34.50 34.07 1jkv s PRO 201 CO -0.01 -0.73 2.13 0.41 -0.33 0.00 0.00 177.00 178.46 1jkv n GLY 202 N -1.80 -0.84 1.19 0.52 0.00 -0.72 -4.09 105.19 99.45 1jkv n GLY 202 Ca 0.07 -0.24 -0.04 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.82 2.55 -0.05 1.61 5.75 -1.26 -4.62 116.55 119.72 1jkv n ASP 203 Ca 0.22 -3.75 0.03 0.00 -0.01 0.00 0.00 54.79 51.28 1jkv n ASP 203 Cb 0.16 -0.64 0.04 0.00 -1.03 0.00 0.00 41.12 39.65 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 -1.10 2.01 -0.25 0.11 2.81 -1.26 -4.81 117.12 114.63 1jkv n MET 204 Ca 0.34 -1.62 -0.05 0.00 -1.81 0.00 0.00 57.70 54.56 1jkv n MET 204 Cb 1.05 -1.04 0.10 0.00 -0.71 0.00 0.00 33.22 32.63 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 1.10 -0.27 0.03 3.64 -1.89 -1.87 116.57 117.32 1jkv h LYS 205 Ca 0.00 -0.20 -0.12 0.00 -1.27 0.00 0.00 60.65 59.07 1jkv h LYS 205 Cb 0.74 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1jkv h LYS 205 CO 0.00 0.90 -0.32 0.93 -2.27 0.00 0.00 179.45 178.69 1jkv h GLU 206 N 1.08 0.56 -0.13 1.90 5.08 -1.98 -3.26 114.58 117.83 1jkv h GLU 206 Ca 0.25 -0.25 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 1jkv h GLU 206 Cb 0.22 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.46 1jkv h GLU 206 CO -0.02 0.81 -0.58 0.82 -1.00 0.00 0.00 179.01 179.04 1jkv h ILE 207 N 0.48 1.33 -4.23 3.13 2.04 -1.80 -3.46 117.51 115.00 1jkv h ILE 207 Ca 0.06 -1.85 -0.52 0.00 1.00 0.00 0.00 64.86 63.55 1jkv h ILE 207 Cb 0.79 2.08 0.15 0.00 -0.74 0.00 0.00 36.82 39.10 1jkv h ILE 207 CO 0.06 0.57 0.33 -1.83 0.00 0.00 0.00 178.15 177.29 1jkv s GLU 208 N -3.75 2.03 -1.02 2.37 -1.05 -0.74 -4.89 118.70 111.64 1jkv s GLU 208 Ca -0.12 1.52 -0.23 0.00 -0.15 0.00 0.00 54.97 55.99 1jkv s GLU 208 Cb 0.07 -1.84 0.04 0.00 -0.44 0.00 0.00 34.13 31.96 1jkv s GLU 208 CO 0.85 -1.87 1.49 -1.01 0.95 0.00 0.00 175.26 175.68 1jkv s HIS 209 N -2.40 2.49 0.57 4.83 3.76 -1.26 -4.85 115.29 118.44 1jkv s HIS 209 Ca 0.68 -0.78 0.27 0.00 -0.15 0.00 0.00 55.06 55.08 1jkv s HIS 209 Cb -0.23 -4.66 1.57 0.00 1.11 0.00 0.00 32.58 30.36 1jkv s HIS 209 CO 0.50 -1.92 2.08 0.77 -0.85 0.00 0.00 174.74 175.32 1jkv h SER 210 N 9.81 0.00 -1.04 1.40 0.02 -1.90 -1.57 113.55 120.26 1jkv h SER 210 Ca 0.20 0.00 0.28 0.00 -0.84 0.00 0.00 61.79 61.43 1jkv h SER 210 Cb 1.00 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.47 1jkv h SER 210 CO 1.42 0.00 0.71 -0.08 -1.14 0.00 0.00 176.83 177.73 1jkv h GLU 211 N 0.00 0.22 -0.29 3.45 4.81 -2.01 -2.06 114.58 118.70 1jkv h GLU 211 Ca 0.11 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1jkv h GLU 211 Cb 0.55 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1jkv h GLU 211 CO -0.00 0.14 0.00 1.19 -0.73 0.00 0.00 179.01 179.61 1jkv n PHE 212 N -4.44 0.38 0.53 0.92 3.72 -0.59 -4.64 117.46 113.34 1jkv n PHE 212 Ca 0.24 -0.28 0.13 0.00 -0.05 0.00 0.00 57.45 57.48 1jkv n PHE 212 Cb 0.97 -0.01 0.41 0.00 -0.94 0.00 0.00 39.48 39.92 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 2.99 0.00 0.00 4.37 4.64 -1.48 -3.32 113.55 120.75 1jkv h SER 213 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1jkv h SER 213 Cb 0.76 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.83 1jkv h SER 213 CO 0.00 0.00 -0.32 1.41 -0.87 0.00 0.00 176.83 177.05 1jkv n HIS 214 N -2.37 0.00 -3.61 4.77 8.25 -1.26 -5.05 115.22 115.95 1jkv n HIS 214 Ca 0.04 -0.54 -0.39 0.00 -0.26 0.00 0.00 57.72 56.58 1jkv n HIS 214 Cb 0.39 -0.11 -0.11 0.00 1.12 0.00 0.00 29.99 31.28 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 -1.41 5.02 -0.22 1.59 1.01 -1.25 -1.07 120.40 124.07 1jkv s VAL 215 Ca 0.18 -0.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 1jkv s VAL 215 Cb 0.16 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1jkv s VAL 215 CO -0.00 0.14 1.11 -0.22 0.00 0.00 0.00 175.10 176.13 1jkv s LEU 216 N 1.70 4.11 -0.24 3.92 0.20 0.09 -4.94 118.68 123.52 1jkv s LEU 216 Ca 0.06 1.46 -0.08 0.00 0.69 0.00 0.00 54.13 56.26 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 0.09 -0.71 0.08 -0.04 -0.29 0.00 0.00 176.35 175.48 1jkv s MET 217 N 3.32 3.73 -1.16 1.98 -1.94 -1.26 -1.02 119.30 122.95 1jkv s MET 217 Ca 0.47 -0.44 -0.17 0.00 -1.71 0.00 0.00 55.69 53.84 1jkv s MET 217 Cb -0.17 -3.35 0.11 0.00 2.01 0.00 0.00 34.83 33.44 1jkv s MET 217 CO 0.09 -0.12 1.48 1.21 -0.01 0.00 0.00 175.02 177.67 1jkv s ASN 218 N 1.45 6.83 0.22 3.03 2.47 -0.72 -4.80 114.94 123.42 1jkv s ASN 218 Ca 0.06 -2.40 0.23 0.00 0.42 0.00 0.00 52.86 51.16 1jkv s ASN 218 Cb -0.15 -2.49 0.07 0.00 -1.45 0.00 0.00 41.25 37.24 1jkv s ASN 218 CO 0.04 -1.06 1.14 -0.26 -3.72 0.00 0.00 177.10 173.24 1jkv h PHE 219 N 8.02 0.00 -3.85 0.43 0.04 -1.89 -3.42 116.94 116.27 1jkv h PHE 219 Ca 0.31 0.00 -0.69 0.00 2.80 0.00 0.00 57.97 60.40 1jkv h PHE 219 Cb 0.92 0.00 -0.22 0.00 2.20 0.00 0.00 35.95 38.85 1jkv h PHE 219 CO 1.25 0.00 -0.74 0.45 -0.60 0.00 0.00 178.31 178.67 1jkv s SER 220 N -5.34 4.25 0.00 2.17 0.15 -1.26 -5.04 113.70 108.63 1jkv s SER 220 Ca 0.01 -0.14 0.16 0.00 0.70 0.00 0.00 55.95 56.67 1jkv s SER 220 Cb 0.09 -1.02 0.75 0.00 -1.71 0.00 0.00 66.02 64.13 1jkv s SER 220 CO 0.77 0.34 1.46 -0.90 1.20 0.00 0.00 173.24 176.11 1jkv n ASP 221 N 2.38 0.00 -4.72 5.45 5.75 -1.26 -4.69 116.55 119.45 1jkv n ASP 221 Ca -0.17 0.20 -0.35 0.00 -0.01 0.00 0.00 54.79 54.46 1jkv n ASP 221 Cb 0.52 -0.36 0.09 0.00 -1.03 0.00 0.00 41.12 40.35 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 -2.71 2.57 -0.08 6.12 0.00 -1.26 -4.95 107.32 107.00 1jkv s GLY 222 Ca 0.12 1.05 0.13 0.00 0.00 0.00 0.00 44.72 46.03 1jkv s GLY 222 CO 0.25 1.48 1.32 2.09 0.00 0.00 0.00 173.10 178.24 1jkv n ASP 223 N -2.46 3.31 -0.36 1.64 5.75 -1.26 -4.71 116.55 118.45 1jkv n ASP 223 Ca 0.15 -2.49 0.04 0.00 -0.01 0.00 0.00 54.79 52.48 1jkv n ASP 223 Cb 0.49 -0.37 0.21 0.00 -1.03 0.00 0.00 41.12 40.42 1jkv n ASP 223 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1jkv h GLY 224 N 1.79 1.55 2.00 6.12 0.00 -1.94 -1.99 103.07 110.60 1jkv h GLY 224 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1jkv h GLY 224 CO 0.10 0.27 0.00 -1.14 0.00 0.00 0.00 176.54 175.77 1jkv n SER 225 N -4.54 0.11 0.31 0.19 3.41 -1.26 -2.56 113.62 109.27 1jkv n SER 225 Ca 0.17 0.53 0.20 0.00 -0.26 0.00 0.00 58.87 59.50 1jkv n SER 225 Cb 0.25 -0.55 0.97 0.00 -0.26 0.00 0.00 64.21 64.62 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 -0.06 4.33 3.64 -1.72 -1.22 116.57 121.55 1jkv h LYS 226 Ca 0.00 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1jkv h LYS 226 Cb 0.29 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1jkv h LYS 226 CO 0.00 0.00 0.07 0.00 -2.27 0.00 0.00 179.45 177.26 1jkv h ALA 227 N 2.00 1.54 0.00 5.00 0.00 -1.69 -0.10 119.26 126.00 1jkv h ALA 227 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jkv h ALA 227 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1jkv h ALA 227 CO 0.00 -0.10 0.00 0.74 0.00 0.00 0.00 179.25 179.89 1jkv h PHE 228 N 0.00 0.00 -2.42 0.00 0.04 -1.47 -3.45 116.94 109.65 1jkv h PHE 228 Ca 0.03 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.24 1jkv h PHE 228 Cb 0.17 0.00 0.05 0.00 2.20 0.00 0.00 35.95 38.37 1jkv h PHE 228 CO 0.00 0.00 0.99 -1.91 -0.60 0.00 0.00 178.31 176.79 1jkv n GLU 229 N -2.87 2.53 -0.14 1.51 2.13 -0.05 -1.64 120.64 122.11 1jkv n GLU 229 Ca 0.02 0.92 0.00 0.00 0.66 0.00 0.00 57.16 58.76 1jkv n GLU 229 Cb 0.35 -2.76 0.00 0.00 0.27 0.00 0.00 31.44 29.31 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 3.93 1.98 3.78 8.31 0.00 -0.34 -5.00 105.19 117.86 1jkv n GLY 230 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.26 3.94 -0.20 1.61 -0.21 -0.65 -4.72 119.66 119.17 1jkv s GLN 231 Ca 0.00 1.52 -0.24 0.00 0.02 0.00 0.00 55.36 56.66 1jkv s GLN 231 Cb 0.00 -2.36 -0.01 0.00 1.00 0.00 0.00 33.01 31.63 1jkv s GLN 231 CO 0.00 -0.34 0.78 0.08 -2.12 0.00 0.00 175.29 173.70 1jkv s VAL 232 N -1.73 4.90 0.87 1.09 1.01 -1.26 -1.44 120.40 123.83 1jkv s VAL 232 Ca 0.62 1.50 -0.12 0.00 0.00 0.00 0.00 61.98 63.99 1jkv s VAL 232 Cb -0.22 -4.09 0.11 0.00 0.00 0.00 0.00 36.38 32.19 1jkv s VAL 232 CO 0.27 0.01 1.12 0.00 0.00 0.00 0.00 175.10 176.49 1jkv s ALA 233 N 2.36 1.92 0.55 5.51 0.00 -0.14 -4.90 121.76 127.06 1jkv s ALA 233 Ca 0.35 -0.36 0.36 0.00 0.00 0.00 0.00 51.96 52.31 1jkv s ALA 233 Cb -0.16 -3.08 1.99 0.00 0.00 0.00 0.00 23.12 21.87 1jkv s ALA 233 CO 0.10 -2.09 2.25 -0.22 0.00 0.00 0.00 175.76 175.81 1jkv h LYS 234 N -1.35 0.00 -0.12 0.00 3.64 -1.97 0.09 116.57 116.86 1jkv h LYS 234 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1jkv h LYS 234 Cb 1.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1jkv h LYS 234 CO 0.60 0.02 0.00 -0.40 -2.27 0.00 0.00 179.45 177.40 1jkv n ASP 235 N -3.41 1.12 0.00 4.20 5.75 -1.26 -4.92 116.55 118.03 1jkv n ASP 235 Ca -0.02 -1.64 0.00 0.00 -0.01 0.00 0.00 54.79 53.11 1jkv n ASP 235 Cb 0.12 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 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 1.00 0.80 3.88 6.12 0.00 0.02 -5.06 105.19 111.96 1jkv n GLY 236 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.72 3.51 0.44 1.61 2.12 -1.26 -4.80 118.70 119.60 1jkv s GLU 237 Ca 0.00 -0.12 -0.22 0.00 0.36 0.00 0.00 54.97 54.99 1jkv s GLU 237 Cb 0.00 -3.14 -0.09 0.00 0.26 0.00 0.00 34.13 31.16 1jkv s GLU 237 CO 0.00 0.71 1.02 0.15 -0.54 0.00 0.00 175.26 176.60 1jkv s LYS 238 N -1.46 4.05 0.16 4.30 1.02 -1.26 -0.97 119.74 125.58 1jkv s LYS 238 Ca 0.22 1.35 -0.30 0.00 0.02 0.00 0.00 55.97 57.26 1jkv s LYS 238 Cb -0.13 -2.29 -0.07 0.00 -0.52 0.00 0.00 37.83 34.82 1jkv s LYS 238 CO 0.12 -0.21 1.10 -0.06 -0.92 0.00 0.00 175.35 175.37 1jkv s PHE 239 N -1.91 3.59 0.56 3.18 0.08 -0.52 -4.88 117.98 118.08 1jkv s PHE 239 Ca 0.62 1.58 0.08 0.00 0.12 0.00 0.00 56.93 59.33 1jkv s PHE 239 Cb -0.16 -3.27 0.07 0.00 -0.57 0.00 0.00 43.02 39.09 1jkv s PHE 239 CO 0.21 -0.61 0.77 0.95 -0.10 0.00 0.00 175.22 176.43 1jkv s THR 240 N -0.07 2.37 -0.05 0.64 -4.23 -0.23 -1.20 115.64 112.86 1jkv s THR 240 Ca 0.50 -0.93 -0.02 0.00 -1.18 0.00 0.00 61.69 60.06 1jkv s THR 240 Cb -0.29 -2.44 0.03 0.00 1.34 0.00 0.00 72.50 71.15 1jkv s THR 240 CO 0.34 0.00 0.11 -0.47 -0.54 0.00 0.00 174.62 174.06 1jkv s TYR 241 N -2.66 -0.11 -0.27 3.99 5.04 -1.26 -0.73 117.35 121.35 1jkv s TYR 241 Ca 0.61 0.35 0.03 0.00 -2.44 0.00 0.00 57.07 55.61 1jkv s TYR 241 Cb -0.07 -0.08 0.06 0.00 0.35 0.00 0.00 41.96 42.22 1jkv s TYR 241 CO 0.38 -0.12 -0.09 -1.14 -1.34 0.00 0.00 175.55 173.25 1jkv s GLN 242 N 0.85 2.21 0.36 4.97 0.74 -0.19 -4.94 119.66 123.67 1jkv s GLN 242 Ca -0.07 -1.38 0.11 0.00 0.05 0.00 0.00 55.36 54.08 1jkv s GLN 242 Cb -0.09 -2.94 0.69 0.00 1.10 0.00 0.00 33.01 31.77 1jkv s GLN 242 CO -0.04 -0.60 1.82 1.49 -0.55 0.00 0.00 175.29 177.41 1jkv h GLU 243 N 7.78 0.08 -2.74 1.67 4.81 -1.91 -1.92 114.58 122.36 1jkv h GLU 243 Ca -0.18 -0.03 -0.60 0.00 -0.13 0.00 0.00 59.36 58.42 1jkv h GLU 243 Cb 1.04 -0.01 -0.40 0.00 0.63 0.00 0.00 28.75 30.02 1jkv h GLU 243 CO 0.47 0.41 -0.80 -0.80 -0.73 0.00 0.00 179.01 177.57 1jkv s ASN 244 N -6.92 3.05 0.33 1.04 0.01 -1.26 -4.61 114.94 106.58 1jkv s ASN 244 Ca -0.04 -3.08 -0.27 0.00 -0.71 0.00 0.00 52.86 48.76 1jkv s ASN 244 Cb 0.14 -0.91 -0.13 0.00 0.41 0.00 0.00 41.25 40.77 1jkv s ASN 244 CO 0.73 -0.19 1.14 -2.65 -1.51 0.00 0.00 177.10 174.63 1jkv n PRO 245 N 2.90 1.71 -3.87 -0.60 -0.02 -1.26 -4.97 135.00 128.89 1jkv n PRO 245 Ca 0.20 0.60 -0.33 0.00 -2.02 0.00 0.00 63.50 61.96 1jkv n PRO 245 Cb 0.40 -2.10 -0.05 0.00 -0.02 0.00 0.00 33.50 31.73 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 -1.78 3.47 -0.55 -0.52 -1.05 -1.26 -5.05 118.70 111.96 1jkv s GLU 246 Ca 0.58 -0.31 -0.22 0.00 -0.15 0.00 0.00 54.97 54.87 1jkv s GLU 246 Cb -0.62 -3.05 0.05 0.00 -0.44 0.00 0.00 34.13 30.07 1jkv s GLU 246 CO 0.61 0.63 0.82 0.00 0.95 0.00 0.00 175.26 178.27 1jkv s ALA 247 N -1.41 3.25 -2.26 -0.84 0.00 -1.26 -4.92 121.76 114.31 1jkv s ALA 247 Ca 0.31 -1.55 0.23 0.00 0.00 0.00 0.00 51.96 50.94 1jkv s ALA 247 Cb -0.13 -3.61 0.04 0.00 0.00 0.00 0.00 23.12 19.42 1jkv s ALA 247 CO 0.22 -2.30 1.12 -1.33 0.00 0.00 0.00 175.76 173.47 1jkv n MET 248 N 6.98 1.48 -0.16 0.00 0.00 -1.26 -4.69 117.12 119.47 1jkv n MET 248 Ca -0.03 -1.22 0.11 0.00 0.00 0.00 0.00 57.70 56.57 1jkv n MET 248 Cb 0.46 -1.47 0.19 0.00 0.00 0.00 0.00 33.22 32.40 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 1.61 0.29 3.03 0.00 -1.26 -5.09 105.19 105.16 1jkv n GLY 249 Ca 0.10 -0.71 0.04 0.00 0.00 0.00 0.00 46.02 45.45 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 1.42 -1.72 3.59 -0.02 0.00 -1.26 -4.84 105.19 102.36 1jkv n GLY 250 Ca 0.18 -1.44 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.73 5.17 0.58 -0.61 1.01 -1.26 -5.07 121.20 119.30 1jkv s ILE 251 Ca 0.00 0.41 -0.19 0.00 0.00 0.00 0.00 60.65 60.87 1jkv s ILE 251 Cb 0.00 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 1jkv s ILE 251 CO 0.00 0.08 1.19 -2.84 0.00 0.00 0.00 174.94 173.37 1jkv s PRO 252 N 2.06 3.06 -0.33 2.79 0.02 -1.26 -5.02 135.00 136.31 1jkv s PRO 252 Ca 0.14 1.77 0.02 0.00 0.02 0.00 0.00 61.00 62.95 1jkv s PRO 252 Cb -0.16 -1.95 0.15 0.00 0.02 0.00 0.00 34.50 32.57 1jkv s PRO 252 CO 0.11 -1.12 0.37 -1.01 -0.33 0.00 0.00 177.00 175.01 1jkv s HIS 253 N -1.65 -0.54 0.24 6.54 3.76 -1.26 -5.15 115.29 117.23 1jkv s HIS 253 Ca 0.76 -0.38 -0.14 0.00 -0.15 0.00 0.00 55.06 55.15 1jkv s HIS 253 Cb -0.29 -0.34 -0.08 0.00 1.11 0.00 0.00 32.58 32.98 1jkv s HIS 253 CO 0.32 -0.97 0.64 0.42 -0.85 0.00 0.00 174.74 174.30 1jkv s ILE 254 N 1.92 4.77 0.22 0.60 1.01 -1.26 -5.04 121.20 123.41 1jkv s ILE 254 Ca 0.13 0.86 -0.30 0.00 0.00 0.00 0.00 60.65 61.34 1jkv s ILE 254 Cb -0.14 -3.69 -0.10 0.00 0.01 0.00 0.00 42.46 38.55 1jkv s ILE 254 CO -0.17 0.02 1.42 -0.75 0.00 0.00 0.00 174.94 175.47 1jkv s LYS 255 N -2.49 4.29 0.26 2.79 2.20 -1.26 -4.97 119.74 120.56 1jkv s LYS 255 Ca 0.46 2.24 -0.30 0.00 -0.36 0.00 0.00 55.97 58.01 1jkv s LYS 255 Cb -0.13 -3.14 -0.13 0.00 -1.51 0.00 0.00 37.83 32.92 1jkv s LYS 255 CO 0.19 -0.41 1.36 -2.30 -0.36 0.00 0.00 175.35 173.84 1jkv n PRO 256 N 2.70 2.01 -1.51 4.03 -0.02 -1.26 -4.97 135.00 135.98 1jkv n PRO 256 Ca 0.08 0.71 -0.30 0.00 -2.02 0.00 0.00 63.50 61.97 1jkv n PRO 256 Cb 0.41 -2.34 0.08 0.00 -0.02 0.00 0.00 33.50 31.63 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 0.13 1.64 0.29 -1.23 0.00 -1.26 -5.00 107.32 101.89 1jkv s GLY 257 Ca 0.65 -0.08 -0.29 0.00 0.00 0.00 0.00 44.72 45.00 1jkv s GLY 257 CO 0.53 0.31 1.18 1.34 0.00 0.00 0.00 173.10 176.46 1jkv n ASP 258 N -3.40 2.03 0.33 1.64 -0.08 -1.26 -4.87 116.55 110.94 1jkv n ASP 258 Ca 0.07 1.18 0.20 0.00 -1.51 0.00 0.00 54.79 54.73 1jkv n ASP 258 Cb 0.55 -1.37 1.04 0.00 2.34 0.00 0.00 41.12 43.68 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 2.65 0.00 0.00 -0.67 0.11 -2.00 -0.94 132.00 131.15 1jkv h PRO 259 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1jkv h PRO 259 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1jkv h PRO 259 CO 0.64 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.43 1jkv h ARG 260 N 0.00 0.00 0.00 1.05 3.08 -2.04 -1.50 114.38 114.96 1jkv h ARG 260 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1jkv h ARG 260 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1jkv h ARG 260 CO -0.00 0.00 -0.45 -0.07 -1.07 0.00 0.00 179.97 178.38 1jkv h LEU 261 N 0.00 0.00 -1.32 3.04 3.38 -1.51 -3.48 115.31 115.42 1jkv h LEU 261 Ca 0.00 -0.07 -0.40 0.00 0.09 0.00 0.00 57.88 57.50 1jkv h LEU 261 Cb 0.16 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.00 1jkv h LEU 261 CO 0.00 0.04 -0.75 1.41 0.09 0.00 0.00 178.44 179.22 1jkv n HIS 262 N -2.49 -2.37 -1.99 1.13 8.25 -0.57 -4.88 115.22 112.31 1jkv n HIS 262 Ca 0.03 0.94 -0.42 0.00 -0.26 0.00 0.00 57.72 58.01 1jkv n HIS 262 Cb 0.48 -4.73 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 -3.03 4.35 -4.54 0.41 3.02 -1.26 -4.93 115.26 109.29 1jkv n ASN 263 Ca -0.14 -2.94 -0.42 0.00 -0.03 0.00 0.00 54.58 51.05 1jkv n ASN 263 Cb 0.61 -1.60 -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 2.24 2.45 -0.25 3.10 3.76 -1.26 -4.81 115.29 120.52 1jkv s HIS 264 Ca 0.45 -0.01 0.03 0.00 -0.15 0.00 0.00 55.06 55.37 1jkv s HIS 264 Cb 0.12 -4.51 0.09 0.00 1.11 0.00 0.00 32.58 29.38 1jkv s HIS 264 CO -0.05 -1.85 1.07 1.04 -0.85 0.00 0.00 174.74 174.11 1jkv n GLN 265 N 8.77 2.95 -0.65 1.40 6.02 -1.26 -5.29 117.38 129.32 1jkv n GLN 265 Ca 0.03 -1.66 0.00 0.00 -0.01 0.00 0.00 57.00 55.36 1jkv n GLN 265 Cb 0.48 -1.08 0.00 0.00 1.02 0.00 0.00 30.24 30.67 1jkv n GLN 265 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46