#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 2.39 0.10 1.12 0.40 -1.26 -5.16 117.98 115.58 1jkv s PHE 2 Ca 0.00 -0.31 0.04 0.00 -0.60 0.00 0.00 56.93 56.06 1jkv s PHE 2 Cb 0.00 -1.13 -0.04 0.00 0.51 0.00 0.00 43.02 42.37 1jkv s PHE 2 CO 0.00 0.58 -0.11 0.15 0.70 0.00 0.00 175.22 176.53 1jkv s LYS 3 N -3.03 0.89 -0.02 0.44 1.02 -1.26 -5.17 119.74 112.61 1jkv s LYS 3 Ca 0.25 -1.15 0.05 0.00 0.02 0.00 0.00 55.97 55.13 1jkv s LYS 3 Cb -0.07 -0.65 -0.01 0.00 -0.52 0.00 0.00 37.83 36.58 1jkv s LYS 3 CO 0.13 0.11 -0.16 -1.58 -0.92 0.00 0.00 175.35 172.94 1jkv s HIS 4 N -2.24 1.51 0.03 3.18 5.65 -1.26 -5.14 115.29 117.02 1jkv s HIS 4 Ca 0.05 -0.35 0.06 0.00 0.25 0.00 0.00 55.06 55.08 1jkv s HIS 4 Cb -0.04 -0.99 -0.03 0.00 -1.18 0.00 0.00 32.58 30.33 1jkv s HIS 4 CO 0.01 -0.08 -0.14 -0.08 -0.65 0.00 0.00 174.74 173.80 1jkv s THR 5 N -0.19 3.07 -0.08 0.89 -1.32 -1.26 -5.03 115.64 111.73 1jkv s THR 5 Ca 0.02 -1.04 0.31 0.00 -1.21 0.00 0.00 61.69 59.76 1jkv s THR 5 Cb -0.08 -2.31 0.34 0.00 -1.51 0.00 0.00 72.50 68.94 1jkv s THR 5 CO 0.00 0.36 1.90 0.03 -2.21 0.00 0.00 174.62 174.71 1jkv h ARG 6 N 4.55 0.00 -6.62 7.08 2.47 -2.08 -3.43 114.38 116.34 1jkv h ARG 6 Ca -0.48 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 57.72 1jkv h ARG 6 Cb 1.16 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.49 1jkv h ARG 6 CO 0.50 0.00 0.53 0.15 0.56 0.00 0.00 179.97 181.71 1jkv s LYS 7 N -3.56 4.51 0.57 0.04 1.02 -1.26 -5.01 119.74 116.03 1jkv s LYS 7 Ca 0.02 1.80 -0.18 0.00 0.02 0.00 0.00 55.97 57.63 1jkv s LYS 7 Cb 0.09 -3.28 -0.05 0.00 -0.52 0.00 0.00 37.83 34.08 1jkv s LYS 7 CO 0.48 -0.08 1.11 -0.51 -0.92 0.00 0.00 175.35 175.43 1jkv s LEU 8 N 0.04 3.65 0.21 3.17 1.43 -1.26 -4.96 118.68 120.97 1jkv s LEU 8 Ca 0.53 2.07 -0.09 0.00 -1.03 0.00 0.00 54.13 55.61 1jkv s LEU 8 Cb -0.31 -4.57 0.26 0.00 0.03 0.00 0.00 46.19 41.61 1jkv s LEU 8 CO 0.34 -1.25 1.80 -0.61 0.23 0.00 0.00 176.35 176.85 1jkv h GLN 9 N 0.90 0.62 -3.58 1.70 4.15 -1.95 -3.45 115.11 113.51 1jkv h GLN 9 Ca -0.49 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 58.80 1jkv h GLN 9 Cb 1.25 -0.14 -0.16 0.00 0.21 0.00 0.00 27.48 28.64 1jkv h GLN 9 CO 0.57 0.41 -0.34 -0.47 -1.93 0.00 0.00 178.83 177.07 1jkv s TYR 10 N -6.09 0.04 0.21 3.99 5.04 -1.26 -5.14 117.35 114.14 1jkv s TYR 10 Ca -0.13 -0.32 -0.30 0.00 -2.44 0.00 0.00 57.07 53.89 1jkv s TYR 10 Cb 0.17 0.00 -0.16 0.00 0.35 0.00 0.00 41.96 42.32 1jkv s TYR 10 CO 0.76 -0.50 0.91 0.09 -1.34 0.00 0.00 175.55 175.47 1jkv n ASN 11 N 0.37 0.46 -2.74 4.32 3.02 -1.26 -4.94 115.26 114.49 1jkv n ASN 11 Ca -0.17 1.15 -0.05 0.00 -0.03 0.00 0.00 54.58 55.48 1jkv n ASN 11 Cb 0.60 -1.14 0.04 0.00 -0.61 0.00 0.00 39.78 38.67 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 0.60 3.01 -3.50 5.41 0.00 -1.26 -4.38 120.51 120.39 1jkv n ALA 12 Ca 0.14 -2.89 -0.31 0.00 0.00 0.00 0.00 53.44 50.38 1jkv n ALA 12 Cb 0.26 -0.91 -0.17 0.00 0.00 0.00 0.00 19.45 18.63 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 -3.28 2.84 0.53 0.00 2.20 -1.26 -3.60 119.74 117.17 1jkv s LYS 13 Ca 0.27 -0.80 -0.13 0.00 -0.36 0.00 0.00 55.97 54.95 1jkv s LYS 13 Cb 0.40 -2.25 -0.06 0.00 -1.51 0.00 0.00 37.83 34.41 1jkv s LYS 13 CO 0.00 0.05 0.95 -1.25 -0.36 0.00 0.00 175.35 174.74 1jkv s PRO 14 N 0.66 3.78 0.32 4.03 0.04 -1.26 -4.29 135.00 138.28 1jkv s PRO 14 Ca -0.12 0.76 0.10 0.00 0.04 0.00 0.00 61.00 61.78 1jkv s PRO 14 Cb -0.16 -2.17 0.54 0.00 0.04 0.00 0.00 34.50 32.74 1jkv s PRO 14 CO 0.02 -0.33 1.73 -0.44 0.04 0.00 0.00 177.00 178.02 1jkv h ASP 15 N 0.50 0.08 -5.16 6.66 3.32 -1.91 -3.47 116.42 116.45 1jkv h ASP 15 Ca -0.46 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 56.49 1jkv h ASP 15 Cb 1.19 -0.02 -0.12 0.00 0.22 0.00 0.00 39.33 40.59 1jkv h ASP 15 CO 0.62 0.52 -0.19 0.00 -1.72 0.00 0.00 179.24 178.47 1jkv s ARG 16 N -4.03 1.13 0.60 3.56 1.70 -1.26 -5.08 118.95 115.56 1jkv s ARG 16 Ca -0.03 -0.95 -0.17 0.00 -0.47 0.00 0.00 55.73 54.11 1jkv s ARG 16 Cb 0.14 0.42 -0.03 0.00 -0.57 0.00 0.00 34.95 34.91 1jkv s ARG 16 CO 0.75 -0.43 1.10 -1.54 -1.08 0.00 0.00 175.30 174.11 1jkv s SER 17 N -2.89 5.51 -0.34 -2.89 1.04 -1.26 -4.84 113.70 108.04 1jkv s SER 17 Ca 0.10 2.02 -0.02 0.00 0.48 0.00 0.00 55.95 58.53 1jkv s SER 17 Cb 0.02 -2.56 0.19 0.00 0.10 0.00 0.00 66.02 63.77 1jkv s SER 17 CO -0.06 -1.36 0.86 -0.62 0.98 0.00 0.00 173.24 173.04 1jkv s ASP 18 N -2.30 -0.90 0.15 7.02 -1.08 -0.12 -5.05 116.67 114.40 1jkv s ASP 18 Ca 0.68 -0.23 0.23 0.00 -0.52 0.00 0.00 52.55 52.71 1jkv s ASP 18 Cb -0.21 1.30 0.90 0.00 -1.46 0.00 0.00 42.92 43.46 1jkv s ASP 18 CO 0.34 -0.13 1.71 -0.81 0.52 0.00 0.00 175.17 176.81 1jkv n PRO 19 N 4.49 0.14 -0.02 4.34 -0.04 -1.18 -1.72 135.00 141.01 1jkv n PRO 19 Ca 0.08 0.27 -0.16 0.00 -0.04 0.00 0.00 63.50 63.64 1jkv n PRO 19 Cb 0.59 -1.72 -0.10 0.00 -0.04 0.00 0.00 33.50 32.23 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 1.41 -0.41 0.52 1.08 -1.90 -2.43 117.51 115.78 1jkv h ILE 20 Ca 0.00 -1.88 -0.07 0.00 -0.39 0.00 0.00 64.86 62.53 1jkv h ILE 20 Cb 0.46 2.37 -0.02 0.00 -3.07 0.00 0.00 36.82 36.56 1jkv h ILE 20 CO 0.00 0.55 -0.02 -0.03 -0.69 0.00 0.00 178.15 177.96 1jkv h MET 21 N -0.04 0.67 -0.45 2.37 4.05 -1.86 -1.59 114.93 118.08 1jkv h MET 21 Ca -0.04 -0.17 0.05 0.00 -0.28 0.00 0.00 59.70 59.26 1jkv h MET 21 Cb 1.14 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 31.81 1jkv h MET 21 CO 0.10 0.70 0.18 0.00 0.23 0.00 0.00 176.91 178.11 1jkv h ALA 22 N 1.35 0.55 -0.59 0.39 0.00 -1.30 -0.77 119.26 118.88 1jkv h ALA 22 Ca 0.13 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1jkv h ALA 22 Cb 0.42 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1jkv h ALA 22 CO 0.02 -0.21 0.39 -0.09 0.00 0.00 0.00 179.25 179.36 1jkv h ARG 23 N 0.36 0.76 -0.57 0.00 2.43 -1.01 -2.75 114.38 113.60 1jkv h ARG 23 Ca 0.21 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.35 1jkv h ARG 23 Cb 0.18 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 1jkv h ARG 23 CO -0.20 0.51 0.36 0.00 -1.51 0.00 0.00 179.97 179.13 1jkv h ARG 24 N 0.79 0.70 0.00 0.20 3.08 -0.75 -2.42 114.38 115.98 1jkv h ARG 24 Ca 0.22 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1jkv h ARG 24 Cb -0.07 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.82 1jkv h ARG 24 CO -0.06 0.47 0.00 1.28 -1.07 0.00 0.00 179.97 180.59 1jkv n LEU 25 N -4.72 0.59 0.25 3.04 4.77 -0.35 -1.39 117.00 119.19 1jkv n LEU 25 Ca 0.04 0.70 0.15 0.00 -0.03 0.00 0.00 56.01 56.87 1jkv n LEU 25 Cb 0.05 -0.68 0.84 0.00 -2.33 0.00 0.00 43.42 41.29 1jkv n LEU 25 CO 0.34 -0.72 1.13 1.56 -1.33 0.00 0.00 177.39 178.36 1jkv h GLN 26 N 0.00 0.00 -0.97 3.23 1.08 -1.15 -1.10 115.11 116.20 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 0.19 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.58 1jkv h GLN 26 CO 0.00 0.00 0.62 1.49 -0.95 0.00 0.00 178.83 179.99 1jkv h GLU 27 N 0.00 1.29 0.00 1.46 4.57 -1.40 0.84 114.58 121.34 1jkv h GLU 27 Ca 0.04 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1jkv h GLU 27 Cb 0.20 -0.28 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 1jkv h GLU 27 CO -0.00 0.88 0.00 0.77 -1.18 0.00 0.00 179.01 179.48 1jkv h SER 28 N 1.33 0.00 0.00 1.04 0.02 -1.40 -1.33 113.55 113.21 1jkv h SER 28 Ca 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1jkv h SER 28 Cb -0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.43 1jkv h SER 28 CO -0.07 0.00 -0.63 -0.11 -1.14 0.00 0.00 176.83 174.88 1jkv n LEU 29 N -3.03 1.80 -0.77 5.07 7.94 -1.00 -0.56 117.00 126.45 1jkv n LEU 29 Ca 0.03 0.54 0.07 0.00 -1.11 0.00 0.00 56.01 55.54 1jkv n LEU 29 Cb 0.43 -0.83 0.19 0.00 0.53 0.00 0.00 43.42 43.74 1jkv n LEU 29 CO 0.31 -0.42 0.66 0.61 -1.11 0.00 0.00 177.39 177.44 1jkv n GLY 30 N 1.57 2.81 3.93 -3.96 0.00 0.25 -3.64 105.19 106.16 1jkv n GLY 30 Ca -0.09 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.06 1.65 0.25 -0.02 0.00 -0.50 -3.73 107.32 103.91 1jkv s GLY 31 Ca 0.28 -0.82 -0.13 0.00 0.00 0.00 0.00 44.72 44.05 1jkv s GLY 31 CO 0.18 -0.50 1.57 -1.61 0.00 0.00 0.00 173.10 172.74 1jkv h GLN 32 N -0.29 -0.02 -0.41 2.90 4.15 -1.96 -2.18 115.11 117.31 1jkv h GLN 32 Ca -0.45 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.97 1jkv h GLN 32 Cb 1.28 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.97 1jkv h GLN 32 CO 0.60 -0.01 0.00 0.91 -1.93 0.00 0.00 178.83 178.40 1jkv n TRP 33 N -5.54 0.83 -1.01 3.99 7.02 -1.26 -4.78 117.44 116.69 1jkv n TRP 33 Ca 0.12 -0.62 0.00 0.00 -1.02 0.00 0.00 57.50 55.98 1jkv n TRP 33 Cb 0.43 -0.14 0.00 0.00 -2.42 0.00 0.00 31.31 29.18 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 0.46 -0.89 0.19 6.99 0.00 -0.82 -4.33 105.19 106.79 1jkv n GLY 34 Ca 0.18 -1.70 -0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 0.14 -0.58 1.61 4.39 -1.03 -1.80 114.58 117.31 1jkv h GLU 35 Ca 0.00 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.53 1jkv h GLU 35 Cb 0.00 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1jkv h GLU 35 CO 0.00 0.54 -0.06 1.15 -1.16 0.00 0.00 179.01 179.47 1jkv h THR 36 N 0.12 1.27 -0.46 1.13 2.02 -1.77 -0.10 112.91 115.12 1jkv h THR 36 Ca 0.01 -1.22 0.03 0.00 0.77 0.00 0.00 66.41 66.00 1jkv h THR 36 Cb 0.79 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 1jkv h THR 36 CO 0.06 0.44 0.25 0.74 0.37 0.00 0.00 175.52 177.38 1jkv h THR 37 N 0.95 1.00 -0.06 3.16 2.02 -1.61 -0.75 112.91 117.62 1jkv h THR 37 Ca 0.16 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 1jkv h THR 37 Cb 0.63 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1jkv h THR 37 CO 0.04 0.09 0.02 1.23 0.37 0.00 0.00 175.52 177.28 1jkv h GLY 38 N 0.50 0.09 0.22 2.16 0.00 -1.21 -0.55 103.07 104.29 1jkv h GLY 38 Ca 0.19 -0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.51 1jkv h GLY 38 CO -0.12 0.05 -0.31 1.98 0.00 0.00 0.00 176.54 178.15 1jkv h MET 39 N -0.07 -0.39 -0.12 4.80 -1.53 -0.89 -0.46 114.93 116.27 1jkv h MET 39 Ca 0.02 0.03 -0.17 0.00 -3.44 0.00 0.00 59.70 56.14 1jkv h MET 39 Cb 0.17 0.09 -0.01 0.00 -0.55 0.00 0.00 31.60 31.30 1jkv h MET 39 CO -0.00 -0.26 -0.64 0.52 0.14 0.00 0.00 176.91 176.67 1jkv h MET 40 N -0.40 0.44 -0.02 0.39 2.86 -1.13 -1.96 114.93 115.11 1jkv h MET 40 Ca 0.09 -0.32 -0.00 0.00 -2.06 0.00 0.00 59.70 57.41 1jkv h MET 40 Cb 0.53 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.25 1jkv h MET 40 CO -0.32 0.94 0.00 0.77 1.06 0.00 0.00 176.91 179.36 1jkv h SER 41 N 0.32 0.03 -0.48 1.22 0.02 -0.89 -1.59 113.55 112.19 1jkv h SER 41 Ca -0.01 -0.25 -0.14 0.00 -0.84 0.00 0.00 61.79 60.56 1jkv h SER 41 Cb 1.19 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 1jkv h SER 41 CO 0.11 0.27 -0.24 1.88 -1.14 0.00 0.00 176.83 177.72 1jkv h TYR 42 N -0.21 1.15 -0.50 3.45 0.05 -1.07 -0.99 116.97 118.85 1jkv h TYR 42 Ca 0.01 -0.29 -0.08 0.00 0.05 0.00 0.00 58.73 58.42 1jkv h TYR 42 Cb 0.25 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.71 1jkv h TYR 42 CO 0.01 1.12 -0.01 -0.07 -1.05 0.00 0.00 178.16 178.16 1jkv h LEU 43 N 0.86 0.88 -0.06 3.88 3.38 -1.42 -0.28 115.31 122.54 1jkv h LEU 43 Ca 0.11 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.77 1jkv h LEU 43 Cb 0.82 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1jkv h LEU 43 CO 0.07 0.98 0.01 0.28 0.09 0.00 0.00 178.44 179.87 1jkv h SER 44 N 0.75 0.01 -0.80 -0.43 0.02 -1.13 -0.34 113.55 111.63 1jkv h SER 44 Ca 0.14 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1jkv h SER 44 Cb 0.54 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.05 1jkv h SER 44 CO 0.03 0.02 0.50 1.56 -1.14 0.00 0.00 176.83 177.79 1jkv h GLN 45 N 0.04 1.08 -0.10 3.45 4.20 -1.10 -1.46 115.11 121.23 1jkv h GLN 45 Ca 0.03 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1jkv h GLN 45 Cb 0.02 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.56 1jkv h GLN 45 CO -0.03 0.75 0.01 0.78 -0.67 0.00 0.00 178.83 179.67 1jkv h GLY 46 N 1.10 0.18 1.55 3.46 0.00 -0.75 -2.11 103.07 106.50 1jkv h GLY 46 Ca 0.29 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 1jkv h GLY 46 CO -0.06 0.11 0.22 1.49 0.00 0.00 0.00 176.54 178.31 1jkv h TRP 47 N -0.08 0.58 -0.00 5.60 6.55 -1.00 -2.79 115.95 124.82 1jkv h TRP 47 Ca 0.03 -0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.86 1jkv h TRP 47 Cb 0.30 -0.19 0.00 0.00 -0.86 0.00 0.00 29.16 28.42 1jkv h TRP 47 CO 0.02 0.42 -0.05 0.00 -1.05 0.00 0.00 178.44 177.78 1jkv n ALA 48 N -2.47 2.54 -2.47 1.49 0.00 -0.56 -4.85 120.51 114.19 1jkv n ALA 48 Ca 0.03 -0.16 -0.41 0.00 0.00 0.00 0.00 53.44 52.90 1jkv n ALA 48 Cb 0.11 -1.43 -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 -2.76 7.40 -0.08 0.00 0.15 -0.82 -4.91 113.70 112.69 1jkv s SER 49 Ca 0.22 1.68 0.13 0.00 0.70 0.00 0.00 55.95 58.68 1jkv s SER 49 Cb 0.20 -2.56 0.40 0.00 -1.71 0.00 0.00 66.02 62.35 1jkv s SER 49 CO 0.51 -0.14 1.33 0.35 1.20 0.00 0.00 173.24 176.49 1jkv n THR 50 N 3.27 1.57 -1.32 6.45 -2.24 -1.26 -5.03 114.28 115.72 1jkv n THR 50 Ca 0.03 -1.39 0.00 0.00 -2.27 0.00 0.00 64.05 60.43 1jkv n THR 50 Cb 0.50 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 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 0.06 2.29 3.70 3.38 0.00 -1.26 -5.03 105.19 108.32 1jkv n GLY 51 Ca 0.16 -1.92 -0.44 0.00 0.00 0.00 0.00 46.02 43.82 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 1.67 0.25 4.61 0.00 -1.26 -4.83 120.51 117.95 1jkv n ALA 52 Ca 0.00 0.40 0.07 0.00 0.00 0.00 0.00 53.44 53.92 1jkv n ALA 52 Cb 0.00 -2.35 0.60 0.00 0.00 0.00 0.00 19.45 17.70 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 4.71 0.00 -0.61 0.00 4.39 -1.98 -2.09 114.58 118.99 1jkv h GLU 53 Ca -0.45 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.36 1jkv h GLU 53 Cb 1.25 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.81 1jkv h GLU 53 CO 0.79 0.09 0.11 -0.22 -1.16 0.00 0.00 179.01 178.62 1jkv h LYS 54 N 0.00 0.23 0.14 2.33 3.64 -1.99 0.09 116.57 121.01 1jkv h LYS 54 Ca -0.00 -0.01 -0.35 0.00 -1.27 0.00 0.00 60.65 59.02 1jkv h LYS 54 Cb 0.16 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1jkv h LYS 54 CO 0.01 0.15 -1.81 1.88 -2.27 0.00 0.00 179.45 177.41 1jkv h TYR 55 N 0.23 0.55 -0.13 1.91 0.05 -1.82 -2.76 116.97 115.01 1jkv h TYR 55 Ca 0.32 -0.40 0.01 0.00 0.05 0.00 0.00 58.73 58.72 1jkv h TYR 55 Cb 0.50 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.20 1jkv h TYR 55 CO -0.27 1.63 0.03 -0.22 -1.05 0.00 0.00 178.16 178.28 1jkv h LYS 56 N 0.08 0.08 -0.59 4.88 3.64 -1.28 -1.14 116.57 122.24 1jkv h LYS 56 Ca -0.36 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.96 1jkv h LYS 56 Cb 2.06 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.84 1jkv h LYS 56 CO 0.14 0.05 0.14 0.22 -2.27 0.00 0.00 179.45 177.74 1jkv h ASP 57 N 0.08 0.89 -0.69 4.20 3.58 -1.12 -2.09 116.42 121.27 1jkv h ASP 57 Ca 0.06 -0.23 0.09 0.00 0.42 0.00 0.00 57.03 57.37 1jkv h ASP 57 Cb 0.04 -0.24 -0.07 0.00 1.72 0.00 0.00 39.33 40.79 1jkv h ASP 57 CO -0.07 0.89 0.33 0.25 -2.88 0.00 0.00 179.24 177.76 1jkv h LEU 58 N 0.85 0.42 -0.41 2.28 5.85 -1.17 0.17 115.31 123.30 1jkv h LEU 58 Ca 0.18 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 1jkv h LEU 58 Cb 0.35 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1jkv h LEU 58 CO 0.00 0.24 0.12 -0.07 -0.34 0.00 0.00 178.44 178.40 1jkv h LEU 59 N 0.56 0.60 -0.49 2.25 3.38 -1.02 -1.11 115.31 119.49 1jkv h LEU 59 Ca 0.34 -0.21 -0.16 0.00 0.09 0.00 0.00 57.88 57.94 1jkv h LEU 59 Cb 0.37 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1jkv h LEU 59 CO -0.27 0.65 -0.50 -0.07 0.09 0.00 0.00 178.44 178.34 1jkv h LEU 60 N 0.52 0.73 -0.18 1.67 3.38 -0.95 0.81 115.31 121.29 1jkv h LEU 60 Ca 0.13 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.77 1jkv h LEU 60 Cb 0.27 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1jkv h LEU 60 CO -0.00 1.10 -0.01 0.44 0.09 0.00 0.00 178.44 180.05 1jkv h ASP 61 N 0.52 -0.10 0.09 -0.43 3.32 -0.55 -2.10 116.42 117.18 1jkv h ASP 61 Ca 0.02 0.04 -0.27 0.00 0.02 0.00 0.00 57.03 56.84 1jkv h ASP 61 Cb 1.05 0.08 0.02 0.00 0.22 0.00 0.00 39.33 40.70 1jkv h ASP 61 CO 0.10 -0.02 -1.10 0.74 -1.72 0.00 0.00 179.24 177.23 1jkv h THR 62 N 0.04 1.30 -0.92 0.35 2.02 -1.04 -1.59 112.91 113.07 1jkv h THR 62 Ca 0.09 -2.35 0.07 0.00 0.77 0.00 0.00 66.41 64.99 1jkv h THR 62 Cb 0.11 2.49 -0.07 0.00 -1.74 0.00 0.00 68.15 68.95 1jkv h THR 62 CO -0.16 0.72 0.57 1.23 0.37 0.00 0.00 175.52 178.26 1jkv h GLY 63 N 0.49 1.41 1.10 2.16 0.00 -0.85 0.56 103.07 107.93 1jkv h GLY 63 Ca -0.14 -0.41 -0.12 0.00 0.00 0.00 0.00 47.33 46.65 1jkv h GLY 63 CO 0.21 0.26 -0.15 -0.84 0.00 0.00 0.00 176.54 176.02 1jkv h THR 64 N 1.02 1.27 -0.68 4.70 2.02 -1.24 -2.68 112.91 117.32 1jkv h THR 64 Ca 0.41 -1.31 0.03 0.00 0.77 0.00 0.00 66.41 66.31 1jkv h THR 64 Cb 0.23 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 1jkv h THR 64 CO -0.19 0.46 0.42 -0.08 0.37 0.00 0.00 175.52 176.50 1jkv h GLU 65 N 0.90 0.80 0.00 6.66 4.81 -0.61 -2.35 114.58 124.79 1jkv h GLU 65 Ca 0.13 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1jkv h GLU 65 Cb 0.72 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 1jkv h GLU 65 CO 0.06 0.53 -0.01 0.93 -0.73 0.00 0.00 179.01 179.78 1jkv h GLU 66 N 0.82 0.00 -0.74 1.92 4.39 -0.62 0.14 114.58 120.50 1jkv h GLU 66 Ca 0.28 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.99 1jkv h GLU 66 Cb 0.03 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 1jkv h GLU 66 CO -0.11 0.01 0.49 1.98 -1.16 0.00 0.00 179.01 180.22 1jkv h MET 67 N 0.00 0.93 -0.69 2.33 4.05 -1.10 0.13 114.93 120.59 1jkv h MET 67 Ca -0.00 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.34 1jkv h MET 67 Cb 0.02 -0.21 -0.03 0.00 -0.80 0.00 0.00 31.60 30.58 1jkv h MET 67 CO 0.00 0.62 0.34 0.00 0.23 0.00 0.00 176.91 178.10 1jkv h ALA 68 N 1.55 1.30 -0.27 0.39 0.00 -0.96 -1.95 119.26 119.32 1jkv h ALA 68 Ca 0.28 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.88 1jkv h ALA 68 Cb -0.06 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 1jkv h ALA 68 CO -0.07 0.55 -0.54 0.45 0.00 0.00 0.00 179.25 179.64 1jkv h HIS 69 N 0.97 1.02 -0.43 0.00 -0.00 -0.85 -1.07 115.15 114.78 1jkv h HIS 69 Ca 0.24 -0.36 0.07 0.00 -0.00 0.00 0.00 60.37 60.32 1jkv h HIS 69 Cb 0.08 -0.19 -0.06 0.00 -0.00 0.00 0.00 27.41 27.24 1jkv h HIS 69 CO 0.01 1.17 0.05 0.28 -0.00 0.00 0.00 177.93 179.44 1jkv h VAL 70 N 0.62 0.73 -0.53 2.45 2.07 -0.88 -0.12 116.25 120.59 1jkv h VAL 70 Ca 0.01 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1jkv h VAL 70 Cb 1.14 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1jkv h VAL 70 CO 0.12 0.03 0.34 -0.08 0.02 0.00 0.00 177.57 178.00 1jkv h GLU 71 N 0.17 0.66 -0.19 1.57 4.81 -1.16 -1.10 114.58 119.35 1jkv h GLU 71 Ca 0.21 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1jkv h GLU 71 Cb 0.29 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1jkv h GLU 71 CO -0.31 0.44 0.11 0.52 -0.73 0.00 0.00 179.01 179.04 1jkv h MET 72 N 0.68 0.26 -0.56 1.92 2.86 -0.72 -1.27 114.93 118.10 1jkv h MET 72 Ca 0.20 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.75 1jkv h MET 72 Cb -0.04 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 1jkv h MET 72 CO -0.07 0.24 0.07 0.82 1.06 0.00 0.00 176.91 179.04 1jkv h ILE 73 N 0.21 1.26 -0.26 -1.22 1.08 -0.83 -0.15 117.51 117.60 1jkv h ILE 73 Ca 0.07 -1.00 0.05 0.00 -0.39 0.00 0.00 64.86 63.59 1jkv h ILE 73 Cb 0.05 0.81 -0.05 0.00 -3.07 0.00 0.00 36.82 34.56 1jkv h ILE 73 CO -0.01 0.36 -0.08 0.28 -0.69 0.00 0.00 178.15 178.01 1jkv h SER 74 N 0.83 -0.29 -0.38 1.72 0.02 -1.17 -0.82 113.55 113.46 1jkv h SER 74 Ca 0.17 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1jkv h SER 74 Cb 0.44 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 1jkv h SER 74 CO 0.01 -0.10 0.25 0.74 -1.14 0.00 0.00 176.83 176.58 1jkv h THR 75 N -0.02 1.11 -0.51 -2.27 2.02 -0.94 -1.17 112.91 111.12 1jkv h THR 75 Ca 0.13 -0.22 0.03 0.00 0.77 0.00 0.00 66.41 67.12 1jkv h THR 75 Cb 0.22 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 1jkv h THR 75 CO -0.28 0.11 0.29 -0.03 0.37 0.00 0.00 175.52 175.98 1jkv h MET 76 N 0.51 0.56 -0.42 6.66 -1.53 -0.74 -1.05 114.93 118.93 1jkv h MET 76 Ca 0.14 -0.03 0.01 0.00 -3.44 0.00 0.00 59.70 56.38 1jkv h MET 76 Cb -0.04 -0.13 -0.02 0.00 -0.55 0.00 0.00 31.60 30.86 1jkv h MET 76 CO -0.03 0.37 0.26 0.82 0.14 0.00 0.00 176.91 178.47 1jkv h ILE 77 N 0.58 1.07 -0.51 1.77 2.04 -0.91 -0.40 117.51 121.15 1jkv h ILE 77 Ca 0.21 -0.18 0.04 0.00 1.00 0.00 0.00 64.86 65.93 1jkv h ILE 77 Cb 0.05 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 1jkv h ILE 77 CO -0.11 0.10 0.26 1.23 0.00 0.00 0.00 178.15 179.62 1jkv h GLY 78 N 0.53 0.71 1.11 5.37 0.00 -0.58 -1.23 103.07 108.98 1jkv h GLY 78 Ca 0.16 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.25 1jkv h GLY 78 CO -0.06 0.12 0.22 -0.97 0.00 0.00 0.00 176.54 175.85 1jkv h TYR 79 N 0.51 1.15 0.00 5.60 0.05 -1.00 -2.76 116.97 120.52 1jkv h TYR 79 Ca 0.22 -0.11 -0.03 0.00 0.05 0.00 0.00 58.73 58.86 1jkv h TYR 79 Cb 0.12 -0.33 -0.00 0.00 1.01 0.00 0.00 36.73 37.52 1jkv h TYR 79 CO -0.10 0.91 -0.14 -0.07 -1.05 0.00 0.00 178.16 177.71 1jkv h LEU 80 N 1.07 0.00 -0.42 3.88 3.38 -0.51 -2.43 115.31 120.28 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 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1jkv h LEU 80 CO -0.01 0.14 -0.11 0.18 0.09 0.00 0.00 178.44 178.73 1jkv n LEU 81 N -3.45 0.76 -4.70 1.67 4.77 -0.52 -0.94 117.00 114.59 1jkv n LEU 81 Ca -0.01 -0.16 -0.44 0.00 -0.03 0.00 0.00 56.01 55.38 1jkv n LEU 81 Cb 0.31 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 1jkv n LEU 81 CO 0.30 0.14 1.12 -0.62 -1.33 0.00 0.00 177.39 177.00 1jkv n GLU 82 N -0.66 2.31 -1.37 3.23 1.02 -0.92 -2.00 120.64 122.25 1jkv n GLU 82 Ca 0.16 0.82 -0.13 0.00 -0.02 0.00 0.00 57.16 57.99 1jkv n GLU 82 Cb 0.29 -2.53 -0.05 0.00 -0.02 0.00 0.00 31.44 29.12 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 2.25 -5.52 -4.76 1.62 8.00 -1.26 -4.81 116.55 112.07 1jkv n ASP 83 Ca 0.11 0.32 -0.39 0.00 0.71 0.00 0.00 54.79 55.54 1jkv n ASP 83 Cb 0.33 -4.14 0.02 0.00 -0.02 0.00 0.00 41.12 37.31 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 -2.15 3.01 0.31 2.24 0.00 -0.84 -4.96 121.76 119.38 1jkv s ALA 84 Ca 0.00 1.33 -0.28 0.00 0.00 0.00 0.00 51.96 53.01 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 -1.19 1.05 -1.25 0.00 0.00 0.00 175.76 174.37 1jkv s PRO 85 N -2.67 4.54 0.00 0.00 0.04 -1.26 -4.94 135.00 130.71 1jkv s PRO 85 Ca 0.66 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.33 1jkv s PRO 85 Cb -0.40 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1jkv s PRO 85 CO 0.49 0.17 0.00 1.97 0.04 0.00 0.00 177.00 179.67 1jkv n PHE 86 N 0.83 0.00 -3.56 0.56 1.16 -1.26 -4.81 117.46 110.39 1jkv n PHE 86 Ca 0.01 0.00 -0.06 0.00 -1.87 0.00 0.00 57.45 55.53 1jkv n PHE 86 Cb 0.47 0.01 0.02 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 1.28 0.39 4.97 0.00 -1.26 -5.05 105.19 105.51 1jkv n GLY 87 Ca 0.00 -1.18 0.16 0.00 0.00 0.00 0.00 46.02 45.00 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 0.52 -0.77 1.61 0.11 -2.01 -1.11 132.00 130.34 1jkv h PRO 88 Ca -0.23 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.85 1jkv h PRO 88 Cb 0.86 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.82 1jkv h PRO 88 CO 0.30 0.34 0.50 0.93 -0.21 0.00 0.00 178.00 179.86 1jkv h GLU 89 N 0.54 1.02 -0.43 1.05 5.08 -2.00 -1.34 114.58 118.50 1jkv h GLU 89 Ca 0.49 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.65 1jkv h GLU 89 Cb 1.03 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1jkv h GLU 89 CO -0.22 0.68 -0.26 -0.44 -1.00 0.00 0.00 179.01 177.77 1jkv h ASP 90 N 1.05 0.94 0.35 1.42 3.32 -1.61 -2.54 116.42 119.35 1jkv h ASP 90 Ca 0.28 -0.37 -0.10 0.00 0.02 0.00 0.00 57.03 56.86 1jkv h ASP 90 Cb -0.11 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.17 1jkv h ASP 90 CO -0.06 1.14 -0.43 -0.07 -1.72 0.00 0.00 179.24 178.11 1jkv h LEU 91 N 0.78 0.11 -0.63 1.55 3.38 -1.30 -1.90 115.31 117.31 1jkv h LEU 91 Ca 0.09 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1jkv h LEU 91 Cb 0.82 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1jkv h LEU 91 CO 0.07 0.53 -0.29 0.50 0.09 0.00 0.00 178.44 179.34 1jkv h LYS 92 N 0.09 0.77 -0.48 1.13 3.64 -1.11 -1.61 116.57 119.01 1jkv h LYS 92 Ca 0.01 -0.34 -0.10 0.00 -1.27 0.00 0.00 60.65 58.95 1jkv h LYS 92 Cb 0.80 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 1jkv h LYS 92 CO 0.06 0.96 -0.09 -0.09 -2.27 0.00 0.00 179.45 178.02 1jkv h ARG 93 N 0.65 0.86 -1.10 1.90 2.43 -1.09 -3.42 114.38 114.62 1jkv h ARG 93 Ca 0.08 -0.29 -0.04 0.00 -0.81 0.00 0.00 59.98 58.92 1jkv h ARG 93 Cb 0.82 -0.07 -0.21 0.00 -0.42 0.00 0.00 29.97 30.08 1jkv h ARG 93 CO 0.07 0.92 -0.43 0.34 -1.51 0.00 0.00 179.97 179.36 1jkv s ASP 94 N -6.67 -1.31 0.62 -3.80 -1.08 -0.75 -5.04 116.67 98.64 1jkv s ASP 94 Ca -0.10 -0.28 0.32 0.00 -0.52 0.00 0.00 52.55 51.97 1jkv s ASP 94 Cb 0.14 1.87 1.76 0.00 -1.46 0.00 0.00 42.92 45.23 1jkv s ASP 94 CO 0.83 -0.26 2.07 -0.65 0.52 0.00 0.00 175.17 177.69 1jkv h PRO 95 N 7.62 0.00 0.00 4.34 0.11 -1.55 -1.22 132.00 141.30 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 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1jkv h PRO 95 CO 0.14 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.59 1jkv h SER 96 N 0.00 0.00 0.29 -2.05 4.64 -1.95 -2.46 113.55 112.02 1jkv h SER 96 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1jkv h SER 96 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1jkv h SER 96 CO -0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1jkv n LEU 97 N -2.50 0.32 -0.17 5.97 4.77 -0.46 -2.14 117.00 122.80 1jkv n LEU 97 Ca 0.01 0.62 0.05 0.00 -0.03 0.00 0.00 56.01 56.65 1jkv n LEU 97 Cb 0.21 -0.61 0.33 0.00 -2.33 0.00 0.00 43.42 41.02 1jkv n LEU 97 CO 0.20 -0.59 1.22 0.00 -1.33 0.00 0.00 177.39 176.89 1jkv h ALA 98 N 2.17 1.64 -0.35 -1.18 0.00 -1.66 -0.57 119.26 119.32 1jkv h ALA 98 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1jkv h ALA 98 Cb 0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1jkv h ALA 98 CO 0.00 0.28 0.05 1.15 0.00 0.00 0.00 179.25 180.72 1jkv h THR 99 N 0.80 1.24 -0.05 0.00 2.02 -1.69 -1.13 112.91 114.10 1jkv h THR 99 Ca 0.28 -0.86 0.01 0.00 0.77 0.00 0.00 66.41 66.62 1jkv h THR 99 Cb 0.12 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1jkv h THR 99 CO -0.08 0.29 -0.03 0.74 0.37 0.00 0.00 175.52 176.80 1jkv h THR 100 N 0.41 0.90 -0.84 3.16 2.02 -1.60 -2.75 112.91 114.21 1jkv h THR 100 Ca 0.10 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.34 1jkv h THR 100 Cb 0.37 0.90 -0.06 0.00 -1.74 0.00 0.00 68.15 67.62 1jkv h THR 100 CO 0.01 0.00 0.52 0.24 0.37 0.00 0.00 175.52 176.66 1jkv h MET 101 N -0.03 0.92 -0.46 6.66 2.86 -0.95 -2.04 114.93 121.89 1jkv h MET 101 Ca 0.03 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1jkv h MET 101 Cb 0.08 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 1jkv h MET 101 CO -0.08 0.61 0.31 0.00 1.06 0.00 0.00 176.91 178.81 1jkv h ALA 102 N 1.40 1.71 -0.00 6.32 0.00 -0.93 -2.34 119.26 125.40 1jkv h ALA 102 Ca 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1jkv h ALA 102 Cb 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1jkv h ALA 102 CO -0.17 0.26 -0.26 0.41 0.00 0.00 0.00 179.25 179.49 1jkv n GLY 103 N -1.47 -0.91 3.87 0.00 0.00 -0.80 -4.96 105.19 100.92 1jkv n GLY 103 Ca 0.04 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.65 3.19 -0.30 1.61 1.00 -0.88 -4.89 119.30 116.38 1jkv s MET 104 Ca 0.21 0.62 -0.29 0.00 0.00 0.00 0.00 55.69 56.24 1jkv s MET 104 Cb 0.19 -2.05 0.01 0.00 0.00 0.00 0.00 34.83 32.98 1jkv s MET 104 CO 0.55 -0.83 1.17 0.34 0.00 0.00 0.00 175.02 176.25 1jkv s ASP 105 N -4.24 6.85 0.54 3.03 -1.08 -1.26 -4.93 116.67 115.58 1jkv s ASP 105 Ca 0.57 1.15 0.25 0.00 -0.52 0.00 0.00 52.55 54.00 1jkv s ASP 105 Cb -0.11 -2.54 1.43 0.00 -1.46 0.00 0.00 42.92 40.23 1jkv s ASP 105 CO 0.53 -0.94 2.01 -0.65 0.52 0.00 0.00 175.17 176.64 1jkv h PRO 106 N 8.50 0.00 0.00 4.34 0.11 -1.95 -1.68 132.00 141.32 1jkv h PRO 106 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1jkv h PRO 106 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1jkv h PRO 106 CO 1.03 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.75 1jkv h GLU 107 N 0.00 0.00 -0.59 1.05 5.08 -1.97 -2.86 114.58 115.28 1jkv h GLU 107 Ca 0.22 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.67 1jkv h GLU 107 Cb 0.92 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.10 1jkv h GLU 107 CO -0.00 0.00 0.22 0.45 -1.00 0.00 0.00 179.01 178.68 1jkv h HIS 108 N 0.00 0.39 0.00 4.33 3.86 -1.60 -1.29 115.15 120.83 1jkv h HIS 108 Ca 0.00 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1jkv h HIS 108 Cb 0.78 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 29.16 1jkv h HIS 108 CO 0.00 0.10 -0.01 0.66 0.86 0.00 0.00 177.93 179.54 1jkv h SER 109 N 0.40 0.00 -0.41 2.45 4.64 -1.74 0.25 113.55 119.15 1jkv h SER 109 Ca 0.30 -0.55 -0.07 0.00 -0.47 0.00 0.00 61.79 61.00 1jkv h SER 109 Cb 0.36 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 1jkv h SER 109 CO -0.30 0.78 -0.00 0.25 -0.87 0.00 0.00 176.83 176.69 1jkv h LEU 110 N -1.00 0.71 0.07 5.97 5.85 -1.49 -1.84 115.31 123.57 1jkv h LEU 110 Ca -0.00 -0.31 -0.31 0.00 0.84 0.00 0.00 57.88 58.10 1jkv h LEU 110 Cb 0.56 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1jkv h LEU 110 CO -0.00 0.84 -1.71 0.52 -0.34 0.00 0.00 178.44 177.75 1jkv n VAL 111 N -4.43 1.66 0.74 1.05 0.31 -0.53 -4.64 118.33 112.49 1jkv n VAL 111 Ca -0.01 -0.37 0.09 0.00 -0.01 0.00 0.00 64.34 64.03 1jkv n VAL 111 Cb 0.29 -1.87 0.04 0.00 -0.91 0.00 0.00 33.84 31.39 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 -3.91 0.00 -3.04 3.52 8.25 -0.97 -5.00 115.22 114.07 1jkv n HIS 112 Ca -0.33 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.01 1jkv n HIS 112 Cb 0.88 0.00 0.04 0.00 1.12 0.00 0.00 29.99 32.03 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 1.07 0.18 3.23 -1.41 0.00 -0.69 -3.31 105.19 104.25 1jkv n GLY 113 Ca 0.09 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.78 -5.00 -4.14 0.99 4.77 0.86 -4.96 117.00 106.74 1jkv n LEU 114 Ca 0.00 -0.65 -0.09 0.00 -0.03 0.00 0.00 56.01 55.24 1jkv n LEU 114 Cb 0.53 -3.08 -0.10 0.00 -2.33 0.00 0.00 43.42 38.44 1jkv n LEU 114 CO 0.33 0.18 -0.34 0.20 -1.33 0.00 0.00 177.39 176.44 1jkv s ASN 115 N -3.68 0.57 0.64 -1.43 0.01 -1.21 -4.84 114.94 105.00 1jkv s ASN 115 Ca 0.30 -1.09 -0.18 0.00 -0.71 0.00 0.00 52.86 51.17 1jkv s ASN 115 Cb -0.04 0.21 -0.01 0.00 0.41 0.00 0.00 41.25 41.82 1jkv s ASN 115 CO 0.71 -0.63 1.29 0.00 -1.51 0.00 0.00 177.10 176.96 1jkv s ALA 116 N -3.91 2.42 0.51 0.60 0.00 -1.26 -4.76 121.76 115.36 1jkv s ALA 116 Ca 0.15 1.21 0.08 0.00 0.00 0.00 0.00 51.96 53.41 1jkv s ALA 116 Cb 0.07 -3.55 0.05 0.00 0.00 0.00 0.00 23.12 19.69 1jkv s ALA 116 CO -0.04 -1.56 0.62 -1.54 0.00 0.00 0.00 175.76 173.24 1jkv s SER 117 N -1.38 5.13 -0.44 0.00 1.04 -1.26 -4.97 113.70 111.81 1jkv s SER 117 Ca 0.82 -0.82 0.04 0.00 0.48 0.00 0.00 55.95 56.47 1jkv s SER 117 Cb -0.37 0.00 0.55 0.00 0.10 0.00 0.00 66.02 66.30 1jkv s SER 117 CO 0.40 -1.08 1.76 0.18 0.98 0.00 0.00 173.24 175.47 1jkv n LEU 118 N -1.98 6.09 -4.80 2.42 4.77 -1.26 -4.75 117.00 117.49 1jkv n LEU 118 Ca 0.09 -3.93 -0.23 0.00 -0.03 0.00 0.00 56.01 51.91 1jkv n LEU 118 Cb 0.62 -0.77 -0.05 0.00 -2.33 0.00 0.00 43.42 40.88 1jkv n LEU 118 CO 0.40 1.31 -0.08 0.20 -1.33 0.00 0.00 177.39 177.89 1jkv s ASN 119 N -1.98 4.69 0.96 -1.43 0.01 -1.26 -1.93 114.94 113.99 1jkv s ASN 119 Ca 0.55 -0.96 -0.13 0.00 -0.71 0.00 0.00 52.86 51.61 1jkv s ASN 119 Cb 0.46 -0.46 0.19 0.00 0.41 0.00 0.00 41.25 41.85 1jkv s ASN 119 CO 0.04 -0.62 1.16 -0.46 -1.51 0.00 0.00 177.10 175.71 1jkv n ASN 120 N -1.39 0.26 0.30 -1.22 0.23 -0.50 -3.60 115.26 109.34 1jkv n ASN 120 Ca 0.01 -1.52 0.19 0.00 -0.53 0.00 0.00 54.58 52.72 1jkv n ASN 120 Cb 0.63 -0.87 1.02 0.00 -2.08 0.00 0.00 39.78 38.48 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 -0.72 -0.53 0.11 -1.79 -1.52 132.00 127.55 1jkv h PRO 121 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1jkv h PRO 121 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1jkv h PRO 121 CO 0.28 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.16 1jkv n ASN 122 N -3.42 4.29 0.00 -2.05 3.02 -1.26 -4.87 115.26 110.97 1jkv n ASN 122 Ca -0.02 -2.16 0.00 0.00 -0.03 0.00 0.00 54.58 52.37 1jkv n ASN 122 Cb 0.16 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 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 1.51 0.62 3.68 7.41 0.00 -0.57 -5.00 105.19 112.84 1jkv n GLY 123 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.44 3.44 0.35 4.61 0.00 -1.26 -4.76 121.76 121.70 1jkv s ALA 124 Ca 0.00 0.33 -0.29 0.00 0.00 0.00 0.00 51.96 52.01 1jkv s ALA 124 Cb 0.00 -3.44 -0.11 0.00 0.00 0.00 0.00 23.12 19.57 1jkv s ALA 124 CO 0.00 -0.65 1.51 0.00 0.00 0.00 0.00 175.76 176.61 1jkv s ALA 125 N 2.14 3.61 0.41 0.00 0.00 -1.26 -1.41 121.76 125.26 1jkv s ALA 125 Ca 0.47 1.56 -0.26 0.00 0.00 0.00 0.00 51.96 53.73 1jkv s ALA 125 Cb -0.18 -3.61 -0.10 0.00 0.00 0.00 0.00 23.12 19.23 1jkv s ALA 125 CO 0.16 -1.02 1.40 1.87 0.00 0.00 0.00 175.76 178.17 1jkv n TRP 126 N 0.90 2.63 -3.91 0.00 -0.00 -0.81 -4.89 117.44 111.35 1jkv n TRP 126 Ca 0.03 0.47 -0.09 0.00 -0.00 0.00 0.00 57.50 57.91 1jkv n TRP 126 Cb 0.39 -2.46 -0.08 0.00 -0.00 0.00 0.00 31.31 29.16 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 -0.36 0.18 0.30 5.87 2.20 -1.26 -5.04 114.94 116.83 1jkv s ASN 127 Ca 0.58 -0.66 0.24 0.00 -0.94 0.00 0.00 52.86 52.08 1jkv s ASN 127 Cb -0.48 0.29 1.10 0.00 -2.00 0.00 0.00 41.25 40.15 1jkv s ASN 127 CO 0.60 -0.65 1.72 0.00 -2.94 0.00 0.00 177.10 175.83 1jkv h ALA 128 N 3.06 1.00 0.00 3.54 0.00 -1.97 -1.89 119.26 122.99 1jkv h ALA 128 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1jkv h ALA 128 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1jkv h ALA 128 CO 0.56 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.22 1jkv n GLY 129 N -0.47 -1.00 0.08 0.00 0.00 -1.26 -1.37 105.19 101.17 1jkv n GLY 129 Ca 0.01 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.18 0.58 -3.70 1.61 4.01 -0.71 -4.86 117.16 111.91 1jkv n TYR 130 Ca 0.00 0.20 -0.37 0.00 -0.16 0.00 0.00 57.90 57.57 1jkv n TYR 130 Cb 0.11 -0.82 -0.06 0.00 -0.31 0.00 0.00 39.34 38.26 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 -3.14 5.33 -0.13 -0.72 1.01 -0.47 -5.00 120.40 117.29 1jkv s VAL 131 Ca 0.09 0.44 0.03 0.00 0.00 0.00 0.00 61.98 62.53 1jkv s VAL 131 Cb 0.12 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.98 1jkv s VAL 131 CO 0.47 0.54 -0.22 -0.89 0.00 0.00 0.00 175.10 175.00 1jkv s THR 132 N -0.57 2.03 -0.29 3.92 2.01 -1.26 -5.06 115.64 116.42 1jkv s THR 132 Ca 0.17 -0.96 -0.00 0.00 0.31 0.00 0.00 61.69 61.20 1jkv s THR 132 Cb -0.13 -1.79 0.14 0.00 0.01 0.00 0.00 72.50 70.73 1jkv s THR 132 CO 0.06 0.54 0.32 -0.55 -0.69 0.00 0.00 174.62 174.30 1jkv s SER 133 N 0.77 1.39 0.00 3.53 0.15 -1.26 -4.77 113.70 113.51 1jkv s SER 133 Ca -0.08 -0.64 0.22 0.00 0.70 0.00 0.00 55.95 56.15 1jkv s SER 133 Cb -0.16 0.63 -0.23 0.00 -1.71 0.00 0.00 66.02 64.55 1jkv s SER 133 CO -0.01 -0.38 0.71 -1.54 1.20 0.00 0.00 173.24 173.22 1jkv n SER 134 N 5.32 0.41 0.00 5.45 3.41 -1.26 -4.98 113.62 121.97 1jkv n SER 134 Ca -0.02 -0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 1jkv n SER 134 Cb 0.47 1.46 0.00 0.00 -0.26 0.00 0.00 64.21 65.88 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 2.67 3.29 5.00 0.00 -1.26 -5.04 105.19 111.18 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 -1.37 4.82 0.20 1.61 3.84 -1.26 -4.99 114.94 117.78 1jkv s ASN 136 Ca 0.00 -0.77 0.26 0.00 0.21 0.00 0.00 52.86 52.56 1jkv s ASN 136 Cb 0.00 -1.80 0.73 0.00 -0.55 0.00 0.00 41.25 39.63 1jkv s ASN 136 CO 0.00 -0.17 1.70 0.18 -2.79 0.00 0.00 177.10 176.03 1jkv n LEU 137 N 4.79 0.81 0.01 3.21 4.77 -1.26 -1.49 117.00 127.83 1jkv n LEU 137 Ca -0.15 0.52 -0.12 0.00 -0.03 0.00 0.00 56.01 56.23 1jkv n LEU 137 Cb 0.48 -0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 41.19 1jkv n LEU 137 CO 0.30 -0.16 0.77 0.58 -1.33 0.00 0.00 177.39 177.54 1jkv h VAL 138 N 0.00 1.18 -0.25 4.08 2.07 -1.94 0.15 116.25 121.54 1jkv h VAL 138 Ca 0.00 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 1jkv h VAL 138 Cb 0.74 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1jkv h VAL 138 CO 0.00 0.14 0.13 0.00 0.02 0.00 0.00 177.57 177.86 1jkv h ALA 139 N 0.79 0.33 0.00 1.67 0.00 -1.99 -3.04 119.26 117.02 1jkv h ALA 139 Ca 0.01 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 1jkv h ALA 139 Cb 0.22 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1jkv h ALA 139 CO -0.00 -0.14 -0.72 -0.44 0.00 0.00 0.00 179.25 177.96 1jkv h ASP 140 N 0.29 0.00 -0.13 0.00 3.32 -1.20 -0.88 116.42 117.82 1jkv h ASP 140 Ca 0.09 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.04 1jkv h ASP 140 Cb 0.08 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1jkv h ASP 140 CO -0.01 0.72 -0.22 0.24 -1.72 0.00 0.00 179.24 178.24 1jkv h MET 141 N 0.00 0.56 -0.39 3.56 2.86 -1.02 -0.09 114.93 120.42 1jkv h MET 141 Ca -0.01 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 1jkv h MET 141 Cb 1.36 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.96 1jkv h MET 141 CO 0.09 0.75 0.21 0.00 1.06 0.00 0.00 176.91 179.02 1jkv h ARG 142 N 0.50 0.54 -0.68 1.72 3.08 -1.32 -1.40 114.38 116.82 1jkv h ARG 142 Ca 0.08 -0.06 0.09 0.00 0.07 0.00 0.00 59.98 60.16 1jkv h ARG 142 Cb 0.66 -0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.53 1jkv h ARG 142 CO 0.05 0.44 0.32 0.35 -1.07 0.00 0.00 179.97 180.05 1jkv h PHE 143 N 0.50 0.56 -0.53 3.04 3.57 -0.61 -1.79 116.94 121.68 1jkv h PHE 143 Ca 0.14 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.58 1jkv h PHE 143 Cb 0.06 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 1jkv h PHE 143 CO -0.03 0.19 -0.02 -0.91 -2.23 0.00 0.00 178.31 175.31 1jkv h ASN 144 N 0.54 0.88 -0.50 0.41 2.35 -0.57 0.18 115.58 118.87 1jkv h ASN 144 Ca 0.34 -0.24 0.03 0.00 -0.55 0.00 0.00 56.30 55.88 1jkv h ASN 144 Cb 0.38 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.48 1jkv h ASN 144 CO -0.28 0.95 0.28 0.58 -1.65 0.00 0.00 177.43 177.31 1jkv h VAL 145 N 0.83 1.02 -0.59 2.81 2.07 -0.78 -1.91 116.25 119.70 1jkv h VAL 145 Ca 0.15 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1jkv h VAL 145 Cb 0.52 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1jkv h VAL 145 CO 0.03 0.10 0.29 0.58 0.02 0.00 0.00 177.57 178.59 1jkv h VAL 146 N 0.56 1.21 -0.54 2.57 2.07 -0.60 -0.65 116.25 120.87 1jkv h VAL 146 Ca 0.21 -0.57 0.05 0.00 0.82 0.00 0.00 66.70 67.20 1jkv h VAL 146 Cb 0.05 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 1jkv h VAL 146 CO -0.11 0.23 0.27 -0.09 0.02 0.00 0.00 177.57 177.89 1jkv h ARG 147 N 0.80 0.50 0.00 1.57 1.12 -0.37 0.67 114.38 118.67 1jkv h ARG 147 Ca 0.20 -0.03 -0.09 0.00 -1.11 0.00 0.00 59.98 58.95 1jkv h ARG 147 Cb 0.11 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 29.94 1jkv h ARG 147 CO -0.03 0.33 -0.43 0.93 -3.11 0.00 0.00 179.97 177.66 1jkv h GLU 148 N 0.52 0.00 -0.04 0.20 4.39 -1.16 -1.41 114.58 117.08 1jkv h GLU 148 Ca 0.24 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.91 1jkv h GLU 148 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1jkv h GLU 148 CO -0.18 0.43 -0.09 0.77 -1.16 0.00 0.00 179.01 178.79 1jkv h SER 149 N 0.00 0.14 -0.58 1.42 0.02 -0.18 -1.24 113.55 113.12 1jkv h SER 149 Ca -0.00 -0.58 -0.06 0.00 -0.84 0.00 0.00 61.79 60.31 1jkv h SER 149 Cb 1.04 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.52 1jkv h SER 149 CO 0.06 0.70 0.15 -0.33 -1.14 0.00 0.00 176.83 176.26 1jkv h GLU 150 N -0.41 0.93 -0.33 3.45 4.39 -0.91 -1.36 114.58 120.34 1jkv h GLU 150 Ca 0.00 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.46 1jkv h GLU 150 Cb 0.68 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1jkv h GLU 150 CO 0.02 0.86 0.14 0.00 -1.16 0.00 0.00 179.01 178.87 1jkv h ALA 151 N 1.03 0.43 -0.11 3.43 0.00 -1.31 -2.20 119.26 120.53 1jkv h ALA 151 Ca 0.18 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1jkv h ALA 151 Cb 0.34 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1jkv h ALA 151 CO 0.00 0.02 -0.34 -0.09 0.00 0.00 0.00 179.25 178.84 1jkv h ARG 152 N 0.39 0.23 -0.44 0.00 2.43 -1.10 0.05 114.38 115.94 1jkv h ARG 152 Ca 0.11 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1jkv h ARG 152 Cb 0.16 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1jkv h ARG 152 CO -0.01 0.54 0.25 1.25 -1.51 0.00 0.00 179.97 180.49 1jkv h LEU 153 N 0.20 0.54 -0.42 3.80 5.85 -1.12 -0.45 115.31 123.71 1jkv h LEU 153 Ca 0.02 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1jkv h LEU 153 Cb 0.70 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1jkv h LEU 153 CO 0.05 0.45 0.13 1.56 -0.34 0.00 0.00 178.44 180.29 1jkv h GLN 154 N 0.57 0.66 -0.90 1.25 4.20 -0.68 -1.47 115.11 118.75 1jkv h GLN 154 Ca 0.16 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1jkv h GLN 154 Cb 0.03 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.67 1jkv h GLN 154 CO -0.03 0.65 0.54 0.28 -0.67 0.00 0.00 178.83 179.60 1jkv h VAL 155 N 0.54 1.25 -0.48 -0.54 2.07 -0.91 0.27 116.25 118.45 1jkv h VAL 155 Ca 0.13 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1jkv h VAL 155 Cb 0.27 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 1jkv h VAL 155 CO -0.00 0.26 0.30 0.28 0.02 0.00 0.00 177.57 178.43 1jkv h SER 156 N 1.24 0.56 -0.47 0.57 0.02 -0.84 -1.44 113.55 113.20 1jkv h SER 156 Ca 0.32 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 1jkv h SER 156 Cb -0.05 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 1jkv h SER 156 CO -0.06 0.43 0.24 0.03 -1.14 0.00 0.00 176.83 176.32 1jkv h ARG 157 N 0.64 0.66 -0.75 3.45 3.08 -0.77 -2.80 114.38 117.89 1jkv h ARG 157 Ca 0.17 -0.09 0.10 0.00 0.07 0.00 0.00 59.98 60.23 1jkv h ARG 157 Cb -0.05 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 29.83 1jkv h ARG 157 CO -0.04 0.54 0.49 -0.07 -1.07 0.00 0.00 179.97 179.83 1jkv h LEU 158 N 0.61 0.60 -1.58 3.04 3.38 -0.60 -0.69 115.31 120.07 1jkv h LEU 158 Ca 0.16 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.21 1jkv h LEU 158 Cb 0.09 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1jkv h LEU 158 CO -0.02 0.36 0.38 0.22 0.09 0.00 0.00 178.44 179.46 1jkv h TYR 159 N 0.66 0.52 -0.38 1.13 5.03 -0.99 -0.74 116.97 122.20 1jkv h TYR 159 Ca 0.34 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.67 1jkv h TYR 159 Cb 0.46 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 38.57 1jkv h TYR 159 CO -0.00 0.27 0.00 0.43 -1.32 0.00 0.00 178.16 177.54 1jkv n SER 160 N -4.47 2.22 -0.51 -2.11 7.64 -0.29 -3.93 113.62 112.17 1jkv n SER 160 Ca 0.08 -1.94 0.05 0.00 1.01 0.00 0.00 58.87 58.07 1jkv n SER 160 Cb 0.26 -0.25 0.10 0.00 -1.01 0.00 0.00 64.21 63.31 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 0.70 1.75 -3.93 1.43 2.81 -0.29 -4.98 117.12 114.61 1jkv n MET 161 Ca 0.15 -1.60 -0.09 0.00 -1.81 0.00 0.00 57.70 54.35 1jkv n MET 161 Cb 0.37 -1.23 -0.09 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 -0.93 0.15 -0.57 2.03 -1.32 -1.21 -4.95 115.64 108.84 1jkv s THR 162 Ca 0.17 -1.21 0.06 0.00 -1.21 0.00 0.00 61.69 59.50 1jkv s THR 162 Cb 0.10 -1.10 0.15 0.00 -1.51 0.00 0.00 72.50 70.14 1jkv s THR 162 CO 0.14 -0.67 1.07 -0.62 -2.21 0.00 0.00 174.62 172.33 1jkv n GLU 163 N 0.46 2.43 -2.57 7.08 1.02 -1.26 -4.94 120.64 122.86 1jkv n GLU 163 Ca -0.17 -1.66 -0.43 0.00 -0.02 0.00 0.00 57.16 54.88 1jkv n GLU 163 Cb 0.60 -1.15 -0.02 0.00 -0.02 0.00 0.00 31.44 30.85 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 -0.92 6.95 0.45 1.62 -1.08 -1.26 -4.92 116.67 117.52 1jkv s ASP 164 Ca 0.12 1.31 0.25 0.00 -0.52 0.00 0.00 52.55 53.71 1jkv s ASP 164 Cb 0.07 -2.54 0.91 0.00 -1.46 0.00 0.00 42.92 39.90 1jkv s ASP 164 CO 0.09 -0.81 1.82 -0.33 0.52 0.00 0.00 175.17 176.45 1jkv h GLU 165 N 8.07 0.00 -0.18 4.34 4.39 -1.98 -0.36 114.58 128.86 1jkv h GLU 165 Ca -0.22 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.42 1jkv h GLU 165 Cb 1.07 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1jkv h GLU 165 CO 1.00 0.18 -0.14 0.78 -1.16 0.00 0.00 179.01 179.68 1jkv h GLY 166 N 2.29 0.44 0.98 -3.84 0.00 -1.91 -0.40 103.07 100.63 1jkv h GLY 166 Ca -0.00 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 46.91 1jkv h GLY 166 CO 0.02 0.39 0.27 -2.08 0.00 0.00 0.00 176.54 175.14 1jkv h VAL 167 N 0.07 1.09 -0.46 4.60 2.07 -1.67 -2.84 116.25 119.12 1jkv h VAL 167 Ca 0.03 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.31 1jkv h VAL 167 Cb 0.65 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1jkv h VAL 167 CO 0.04 0.10 0.05 0.03 0.02 0.00 0.00 177.57 177.81 1jkv h ARG 168 N 0.55 0.72 -0.46 1.57 3.08 -1.01 -1.80 114.38 117.03 1jkv h ARG 168 Ca 0.16 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 60.08 1jkv h ARG 168 Cb -0.05 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 29.87 1jkv h ARG 168 CO -0.04 0.70 0.24 0.22 -1.07 0.00 0.00 179.97 180.01 1jkv h ASP 169 N 0.69 0.35 -0.25 7.04 3.58 -0.84 0.83 116.42 127.83 1jkv h ASP 169 Ca 0.15 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.62 1jkv h ASP 169 Cb 0.35 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 1jkv h ASP 169 CO 0.01 0.25 0.16 -0.03 -2.88 0.00 0.00 179.24 176.74 1jkv h MET 170 N 0.47 0.34 -0.80 0.28 4.05 -1.25 -2.76 114.93 115.25 1jkv h MET 170 Ca 0.20 -0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.61 1jkv h MET 170 Cb 0.09 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 30.78 1jkv h MET 170 CO -0.13 0.26 0.53 -0.07 0.23 0.00 0.00 176.91 177.73 1jkv h LEU 171 N 0.32 0.90 -1.29 3.39 3.38 -0.82 -1.74 115.31 119.45 1jkv h LEU 171 Ca 0.09 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1jkv h LEU 171 Cb 0.00 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1jkv h LEU 171 CO -0.02 0.64 0.10 0.11 0.09 0.00 0.00 178.44 179.36 1jkv h LYS 172 N 1.05 0.59 -0.14 1.13 1.57 -0.63 0.19 116.57 120.33 1jkv h LYS 172 Ca 0.30 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.95 1jkv h LYS 172 Cb -0.06 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 1jkv h LYS 172 CO -0.08 0.53 -0.08 0.35 -0.57 0.00 0.00 179.45 179.61 1jkv h PHE 173 N 0.57 0.35 -0.71 -1.35 3.57 -1.14 -2.99 116.94 115.24 1jkv h PHE 173 Ca 0.13 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 1jkv h PHE 173 Cb 0.21 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 1jkv h PHE 173 CO 0.01 0.65 0.28 -0.07 -2.23 0.00 0.00 178.31 176.94 1jkv h LEU 174 N -0.05 0.98 -0.75 0.59 3.38 -0.93 -1.42 115.31 117.11 1jkv h LEU 174 Ca 0.03 -0.17 0.11 0.00 0.09 0.00 0.00 57.88 57.94 1jkv h LEU 174 Cb 0.56 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.98 1jkv h LEU 174 CO 0.02 0.89 0.37 -0.07 0.09 0.00 0.00 178.44 179.74 1jkv h LEU 175 N 1.01 0.45 -0.38 1.67 3.38 -1.02 0.04 115.31 120.47 1jkv h LEU 175 Ca 0.24 0.07 -0.10 0.00 0.09 0.00 0.00 57.88 58.18 1jkv h LEU 175 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1jkv h LEU 175 CO -0.02 0.24 -0.17 0.00 0.09 0.00 0.00 178.44 178.58 1jkv h ALA 176 N 1.47 0.53 -0.62 1.53 0.00 -1.24 -1.43 119.26 119.50 1jkv h ALA 176 Ca 0.38 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1jkv h ALA 176 Cb 0.46 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1jkv h ALA 176 CO -0.31 0.46 0.19 0.00 0.00 0.00 0.00 179.25 179.60 1jkv h ARG 177 N 0.58 0.93 -0.11 0.00 2.47 -0.87 -1.87 114.38 115.51 1jkv h ARG 177 Ca 0.09 -0.18 -0.09 0.00 -1.26 0.00 0.00 59.98 58.54 1jkv h ARG 177 Cb 0.71 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.87 1jkv h ARG 177 CO 0.05 0.80 -0.33 0.93 0.56 0.00 0.00 179.97 181.98 1jkv h GLU 178 N 0.91 0.23 0.24 0.04 5.08 -0.80 0.51 114.58 120.78 1jkv h GLU 178 Ca 0.20 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1jkv h GLU 178 Cb 0.26 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1jkv h GLU 178 CO -0.01 0.54 -0.14 1.15 -1.00 0.00 0.00 179.01 179.55 1jkv h THR 179 N 0.20 0.71 -0.54 1.13 2.02 -0.93 0.27 112.91 115.77 1jkv h THR 179 Ca 0.03 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.27 1jkv h THR 179 Cb 0.69 0.71 -0.06 0.00 -1.74 0.00 0.00 68.15 67.75 1jkv h THR 179 CO 0.05 0.00 0.22 -0.61 0.37 0.00 0.00 175.52 175.55 1jkv h GLN 180 N -0.36 0.41 -0.44 6.66 5.75 -1.05 -0.95 115.11 125.14 1jkv h GLN 180 Ca -0.02 -0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 58.38 1jkv h GLN 180 Cb 0.30 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 1jkv h GLN 180 CO 0.03 0.27 -0.00 0.45 -2.65 0.00 0.00 178.83 176.93 1jkv h HIS 181 N 0.43 0.85 -0.43 3.99 3.86 -0.77 -0.16 115.15 122.92 1jkv h HIS 181 Ca 0.26 -0.15 0.07 0.00 -1.16 0.00 0.00 60.37 59.39 1jkv h HIS 181 Cb 0.25 -0.22 -0.06 0.00 1.06 0.00 0.00 27.41 28.44 1jkv h HIS 181 CO -0.14 0.83 0.08 1.96 0.86 0.00 0.00 177.93 181.52 1jkv h GLN 182 N 0.62 0.20 -0.33 2.45 4.20 -0.66 -1.39 115.11 120.21 1jkv h GLN 182 Ca 0.13 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.74 1jkv h GLN 182 Cb 0.49 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1jkv h GLN 182 CO 0.02 0.13 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.12 1jkv h LEU 183 N 0.21 0.68 -0.65 1.46 3.38 -0.81 -0.71 115.31 118.88 1jkv h LEU 183 Ca 0.21 -0.39 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 1jkv h LEU 183 Cb 0.27 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1jkv h LEU 183 CO -0.28 0.92 -0.08 0.06 0.09 0.00 0.00 178.44 179.15 1jkv h GLN 184 N 0.44 0.98 -0.12 1.13 3.07 -0.92 -1.02 115.11 118.67 1jkv h GLN 184 Ca 0.08 -0.34 -0.14 0.00 0.09 0.00 0.00 58.65 58.34 1jkv h GLN 184 Cb 0.65 -0.08 -0.01 0.00 0.08 0.00 0.00 27.48 28.13 1jkv h GLN 184 CO 0.04 1.01 -0.52 0.74 0.09 0.00 0.00 178.83 180.19 1jkv h PHE 185 N 0.88 0.40 -0.66 0.06 0.04 -1.16 -1.82 116.94 114.68 1jkv h PHE 185 Ca 0.14 -0.13 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 1jkv h PHE 185 Cb 0.62 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.66 1jkv h PHE 185 CO 0.04 0.77 0.16 0.52 -0.60 0.00 0.00 178.31 179.20 1jkv h MET 186 N 0.26 1.04 -0.37 1.51 2.86 -0.85 0.40 114.93 119.78 1jkv h MET 186 Ca 0.01 -0.24 -0.06 0.00 -2.06 0.00 0.00 59.70 57.36 1jkv h MET 186 Cb 1.00 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.50 1jkv h MET 186 CO 0.08 0.92 0.01 -0.22 1.06 0.00 0.00 176.91 178.76 1jkv h LYS 187 N 0.99 0.64 -0.36 1.72 1.63 -0.95 -0.57 116.57 119.67 1jkv h LYS 187 Ca 0.21 -0.20 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1jkv h LYS 187 Cb 0.35 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.90 1jkv h LYS 187 CO 0.00 0.74 0.17 0.00 -3.45 0.00 0.00 179.45 176.91 1jkv h ALA 188 N 0.87 0.46 -0.27 5.00 0.00 -1.21 -1.28 119.26 122.84 1jkv h ALA 188 Ca 0.10 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1jkv h ALA 188 Cb 0.45 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 1jkv h ALA 188 CO 0.02 0.02 -0.20 0.37 0.00 0.00 0.00 179.25 179.46 1jkv h GLN 189 N 0.44 -0.18 -0.74 0.00 4.15 -0.72 -0.36 115.11 117.70 1jkv h GLN 189 Ca 0.12 0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.50 1jkv h GLN 189 Cb 0.12 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 1jkv h GLN 189 CO -0.02 -0.12 0.24 0.93 -1.93 0.00 0.00 178.83 177.94 1jkv h GLU 190 N -0.18 1.13 -0.40 1.69 5.08 -0.79 0.12 114.58 121.23 1jkv h GLU 190 Ca 0.15 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1jkv h GLU 190 Cb 0.41 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1jkv h GLU 190 CO -0.38 0.96 0.19 0.93 -1.00 0.00 0.00 179.01 179.71 1jkv h GLU 191 N 1.09 0.57 -0.37 2.33 5.08 -0.93 -1.82 114.58 120.54 1jkv h GLU 191 Ca 0.24 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.42 1jkv h GLU 191 Cb 0.29 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1jkv h GLU 191 CO -0.01 0.50 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.28 1jkv h LEU 192 N 0.50 0.66 -0.98 1.33 3.38 -0.81 -1.80 115.31 117.59 1jkv h LEU 192 Ca 0.14 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1jkv h LEU 192 Cb 0.12 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1jkv h LEU 192 CO -0.02 0.83 0.41 -0.33 0.09 0.00 0.00 178.44 179.42 1jkv h GLU 193 N 0.60 1.13 -0.56 1.13 5.08 -0.81 -0.55 114.58 120.61 1jkv h GLU 193 Ca 0.10 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 1jkv h GLU 193 Cb 0.60 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1jkv h GLU 193 CO 0.04 0.85 -0.04 1.49 -1.00 0.00 0.00 179.01 180.35 1jkv h GLU 194 N 1.13 1.02 -0.23 2.33 4.81 -0.99 0.19 114.58 122.84 1jkv h GLU 194 Ca 0.28 -0.35 -0.06 0.00 -0.13 0.00 0.00 59.36 59.10 1jkv h GLU 194 Cb 0.07 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1jkv h GLU 194 CO -0.04 1.03 -0.10 -0.22 -0.73 0.00 0.00 179.01 178.95 1jkv h LYS 195 N 0.90 0.48 0.00 1.92 3.64 -0.98 -3.39 116.57 119.14 1jkv h LYS 195 Ca 0.15 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1jkv h LYS 195 Cb 0.60 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1jkv h LYS 195 CO 0.04 0.74 -1.60 0.66 -2.27 0.00 0.00 179.45 177.02 1jkv n TYR 196 N -4.52 0.00 0.00 1.91 4.01 -0.25 -5.11 117.16 113.20 1jkv n TYR 196 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 1jkv n TYR 196 Cb 0.33 -0.32 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 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 1.85 3.84 0.21 2.72 0.00 0.68 -4.02 105.19 110.46 1jkv n GLY 197 Ca -0.04 -1.65 0.10 0.00 0.00 0.00 0.00 46.02 44.42 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 1.28 0.39 -3.09 -0.61 6.09 -1.93 -3.40 117.51 116.23 1jkv h ILE 198 Ca 0.00 -1.30 -0.62 0.00 -1.37 0.00 0.00 64.86 61.57 1jkv h ILE 198 Cb 0.00 1.98 -0.10 0.00 0.47 0.00 0.00 36.82 39.18 1jkv h ILE 198 CO 0.00 0.20 -0.43 -0.63 -3.07 0.00 0.00 178.15 174.22 1jkv s ILE 199 N -3.33 5.39 -0.18 2.19 -1.09 -1.26 -5.07 121.20 117.84 1jkv s ILE 199 Ca 0.04 0.32 -0.13 0.00 -2.23 0.00 0.00 60.65 58.65 1jkv s ILE 199 Cb 0.08 -3.51 -0.05 0.00 -1.58 0.00 0.00 42.46 37.40 1jkv s ILE 199 CO 0.66 0.48 0.25 -0.69 -1.23 0.00 0.00 174.94 174.41 1jkv s VAL 200 N -0.07 5.33 0.63 2.92 1.01 -1.26 -1.87 120.40 127.08 1jkv s VAL 200 Ca 0.13 0.44 -0.12 0.00 0.00 0.00 0.00 61.98 62.42 1jkv s VAL 200 Cb -0.12 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1jkv s VAL 200 CO 0.02 0.39 1.04 -2.84 0.00 0.00 0.00 175.10 173.71 1jkv s PRO 201 N 0.53 3.35 0.00 2.72 0.02 -1.26 -5.07 135.00 135.29 1jkv s PRO 201 Ca 0.14 0.93 0.30 0.00 0.02 0.00 0.00 61.00 62.39 1jkv s PRO 201 Cb -0.13 -2.05 1.45 0.00 0.02 0.00 0.00 34.50 33.80 1jkv s PRO 201 CO 0.02 -0.77 1.99 0.41 -0.33 0.00 0.00 177.00 178.33 1jkv n GLY 202 N -2.01 -1.06 1.70 0.52 0.00 -0.78 -4.06 105.19 99.49 1jkv n GLY 202 Ca 0.07 -0.21 -0.16 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.06 3.85 -0.05 1.61 5.75 -1.26 -4.57 116.55 120.82 1jkv n ASP 203 Ca 0.16 -3.75 0.02 0.00 -0.01 0.00 0.00 54.79 51.21 1jkv n ASP 203 Cb 0.24 -0.70 0.03 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 -1.05 1.84 -0.02 0.11 2.81 -1.26 -4.81 117.12 114.74 1jkv n MET 204 Ca 0.45 -1.49 -0.06 0.00 -1.81 0.00 0.00 57.70 54.80 1jkv n MET 204 Cb 1.12 -0.97 0.13 0.00 -0.71 0.00 0.00 33.22 32.80 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 0.59 -0.65 0.03 3.64 -1.89 -2.16 116.57 116.14 1jkv h LYS 205 Ca 0.00 -0.25 -0.07 0.00 -1.27 0.00 0.00 60.65 59.06 1jkv h LYS 205 Cb 0.77 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.54 1jkv h LYS 205 CO 0.00 0.82 0.15 0.93 -2.27 0.00 0.00 179.45 179.08 1jkv h GLU 206 N 0.51 1.05 -0.33 1.90 5.08 -1.97 -3.26 114.58 117.56 1jkv h GLU 206 Ca 0.06 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 58.04 1jkv h GLU 206 Cb 0.77 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1jkv h GLU 206 CO 0.06 0.95 -0.26 0.82 -1.00 0.00 0.00 179.01 179.58 1jkv h ILE 207 N 0.97 1.29 -4.22 3.13 2.04 -1.82 -3.45 117.51 115.45 1jkv h ILE 207 Ca 0.20 -1.41 -0.52 0.00 1.00 0.00 0.00 64.86 64.13 1jkv h ILE 207 Cb 0.38 1.46 0.15 0.00 -0.74 0.00 0.00 36.82 38.07 1jkv h ILE 207 CO 0.00 0.46 0.34 -1.83 0.00 0.00 0.00 178.15 177.13 1jkv s GLU 208 N -4.46 2.10 -1.02 2.37 -1.05 -0.85 -4.89 118.70 110.91 1jkv s GLU 208 Ca -0.12 1.53 -0.23 0.00 -0.15 0.00 0.00 54.97 56.00 1jkv s GLU 208 Cb 0.09 -1.85 0.04 0.00 -0.44 0.00 0.00 34.13 31.97 1jkv s GLU 208 CO 0.84 -1.81 1.52 -1.01 0.95 0.00 0.00 175.26 175.74 1jkv s HIS 209 N -2.35 2.46 0.58 4.83 3.76 -1.26 -4.85 115.29 118.46 1jkv s HIS 209 Ca 0.69 -0.72 0.28 0.00 -0.15 0.00 0.00 55.06 55.16 1jkv s HIS 209 Cb -0.24 -4.63 1.59 0.00 1.11 0.00 0.00 32.58 30.41 1jkv s HIS 209 CO 0.48 -1.91 2.07 0.77 -0.85 0.00 0.00 174.74 175.31 1jkv h SER 210 N 9.83 0.00 0.18 1.40 0.02 -1.90 -2.01 113.55 121.08 1jkv h SER 210 Ca 0.20 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1jkv h SER 210 Cb 1.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.54 1jkv h SER 210 CO 1.41 0.00 -0.02 1.05 -1.14 0.00 0.00 176.83 178.12 1jkv h GLU 211 N 0.00 0.00 -0.13 3.45 4.11 -2.01 -1.90 114.58 118.10 1jkv h GLU 211 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.54 1jkv h GLU 211 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1jkv h GLU 211 CO -0.00 0.02 0.00 1.19 0.07 0.00 0.00 179.01 180.29 1jkv n PHE 212 N -3.38 0.14 0.42 2.06 3.72 -0.75 -4.61 117.46 115.06 1jkv n PHE 212 Ca -0.02 -0.07 0.13 0.00 -0.05 0.00 0.00 57.45 57.44 1jkv n PHE 212 Cb 0.13 -0.00 0.39 0.00 -0.94 0.00 0.00 39.48 39.06 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 4.61 0.00 0.00 4.37 4.64 -1.46 -3.31 113.55 122.40 1jkv h SER 213 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1jkv h SER 213 Cb 0.99 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.00 1jkv h SER 213 CO 0.00 0.00 -0.45 1.41 -0.87 0.00 0.00 176.83 176.92 1jkv n HIS 214 N -2.62 0.00 -3.57 4.77 8.25 -1.26 -5.04 115.22 115.75 1jkv n HIS 214 Ca 0.04 -0.69 -0.40 0.00 -0.26 0.00 0.00 57.72 56.41 1jkv n HIS 214 Cb 0.41 -0.14 -0.11 0.00 1.12 0.00 0.00 29.99 31.27 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 -1.51 5.12 -0.21 1.59 1.01 -1.25 -1.25 120.40 123.90 1jkv s VAL 215 Ca 0.24 -0.23 -0.29 0.00 0.00 0.00 0.00 61.98 61.70 1jkv s VAL 215 Cb 0.23 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 1jkv s VAL 215 CO -0.04 0.03 1.24 -0.76 0.00 0.00 0.00 175.10 175.58 1jkv s LEU 216 N 1.70 4.08 -0.27 3.92 1.43 0.14 -4.95 118.68 124.74 1jkv s LEU 216 Ca 0.06 1.51 -0.08 0.00 -1.03 0.00 0.00 54.13 54.59 1jkv s LEU 216 Cb -0.17 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.49 1jkv s LEU 216 CO 0.10 -0.84 0.09 -0.04 0.23 0.00 0.00 176.35 175.89 1jkv s MET 217 N 3.65 3.54 -1.21 1.70 -1.94 -1.26 -0.89 119.30 122.88 1jkv s MET 217 Ca 0.53 -0.56 -0.18 0.00 -1.71 0.00 0.00 55.69 53.77 1jkv s MET 217 Cb -0.19 -3.39 0.09 0.00 2.01 0.00 0.00 34.83 33.35 1jkv s MET 217 CO 0.16 -0.26 1.58 1.21 -0.01 0.00 0.00 175.02 177.70 1jkv s ASN 218 N 1.61 6.82 0.25 3.03 2.47 -0.73 -4.81 114.94 123.57 1jkv s ASN 218 Ca 0.06 -2.37 0.23 0.00 0.42 0.00 0.00 52.86 51.19 1jkv s ASN 218 Cb -0.16 -2.53 0.06 0.00 -1.45 0.00 0.00 41.25 37.18 1jkv s ASN 218 CO 0.04 -1.13 1.15 -0.26 -3.72 0.00 0.00 177.10 173.18 1jkv h PHE 219 N 7.94 0.00 -3.62 0.43 0.04 -1.88 -3.42 116.94 116.43 1jkv h PHE 219 Ca 0.36 0.00 -0.68 0.00 2.80 0.00 0.00 57.97 60.45 1jkv h PHE 219 Cb 0.90 0.00 -0.19 0.00 2.20 0.00 0.00 35.95 38.87 1jkv h PHE 219 CO 1.32 0.00 -0.68 0.45 -0.60 0.00 0.00 178.31 178.79 1jkv s SER 220 N -5.52 4.72 0.00 2.17 0.15 -1.26 -5.04 113.70 108.92 1jkv s SER 220 Ca 0.01 -0.00 0.19 0.00 0.70 0.00 0.00 55.95 56.84 1jkv s SER 220 Cb 0.09 -1.22 0.95 0.00 -1.71 0.00 0.00 66.02 64.13 1jkv s SER 220 CO 0.77 0.36 1.57 -0.90 1.20 0.00 0.00 173.24 176.24 1jkv n ASP 221 N 2.24 0.00 -4.71 5.45 5.75 -1.26 -4.70 116.55 119.32 1jkv n ASP 221 Ca -0.18 -0.00 -0.33 0.00 -0.01 0.00 0.00 54.79 54.27 1jkv n ASP 221 Cb 0.53 -0.27 0.11 0.00 -1.03 0.00 0.00 41.12 40.46 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 -2.55 2.10 -0.02 6.12 0.00 -1.26 -4.96 107.32 106.75 1jkv s GLY 222 Ca 0.18 0.74 0.12 0.00 0.00 0.00 0.00 44.72 45.76 1jkv s GLY 222 CO 0.28 1.15 1.30 2.09 0.00 0.00 0.00 173.10 177.92 1jkv n ASP 223 N -3.24 3.13 -0.25 1.64 5.68 -1.26 -4.70 116.55 117.54 1jkv n ASP 223 Ca 0.13 -2.10 0.10 0.00 -0.50 0.00 0.00 54.79 52.42 1jkv n ASP 223 Cb 0.51 -0.28 0.36 0.00 -1.14 0.00 0.00 41.12 40.57 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 2.21 1.15 2.00 6.12 0.00 -1.95 -1.73 103.07 110.88 1jkv h GLY 224 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1jkv h GLY 224 CO 0.02 0.13 0.00 -1.14 0.00 0.00 0.00 176.54 175.56 1jkv n SER 225 N -4.54 0.43 0.33 0.19 3.41 -1.26 -2.31 113.62 109.87 1jkv n SER 225 Ca 0.16 0.59 0.22 0.00 -0.26 0.00 0.00 58.87 59.58 1jkv n SER 225 Cb 0.40 -0.69 1.15 0.00 -0.26 0.00 0.00 64.21 64.81 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 -1.67 -1.44 116.57 121.43 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 0.38 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1jkv h LYS 226 CO 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 179.45 177.17 1jkv h ALA 227 N 2.00 1.11 0.00 5.00 0.00 -1.66 -0.97 119.26 124.74 1jkv h ALA 227 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jkv h ALA 227 Cb 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1jkv h ALA 227 CO 0.00 0.01 0.00 0.74 0.00 0.00 0.00 179.25 180.00 1jkv h PHE 228 N 0.00 0.00 -2.33 0.00 0.04 -1.51 -3.44 116.94 109.70 1jkv h PHE 228 Ca -0.00 0.00 -0.56 0.00 2.80 0.00 0.00 57.97 60.21 1jkv h PHE 228 Cb 0.09 0.00 0.04 0.00 2.20 0.00 0.00 35.95 38.29 1jkv h PHE 228 CO 0.00 0.00 1.00 -1.91 -0.60 0.00 0.00 178.31 176.80 1jkv n GLU 229 N -3.09 2.45 -0.03 1.51 2.13 -0.37 -1.54 120.64 121.70 1jkv n GLU 229 Ca 0.02 0.89 0.00 0.00 0.66 0.00 0.00 57.16 58.73 1jkv n GLU 229 Cb 0.40 -2.73 0.00 0.00 0.27 0.00 0.00 31.44 29.38 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 3.98 2.27 3.79 8.31 0.00 -0.14 -4.99 105.19 118.41 1jkv n GLY 230 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.22 3.61 -0.25 1.61 -0.21 -0.59 -4.75 119.66 118.86 1jkv s GLN 231 Ca 0.00 1.49 -0.23 0.00 0.02 0.00 0.00 55.36 56.65 1jkv s GLN 231 Cb 0.00 -2.08 -0.01 0.00 1.00 0.00 0.00 33.01 31.92 1jkv s GLN 231 CO 0.00 -0.61 0.73 0.08 -2.12 0.00 0.00 175.29 173.37 1jkv s VAL 232 N -1.86 4.91 0.93 1.09 1.01 -1.26 -1.29 120.40 123.92 1jkv s VAL 232 Ca 0.69 1.36 -0.12 0.00 0.00 0.00 0.00 61.98 63.91 1jkv s VAL 232 Cb -0.20 -4.03 0.15 0.00 0.00 0.00 0.00 36.38 32.30 1jkv s VAL 232 CO 0.24 -0.02 1.11 0.00 0.00 0.00 0.00 175.10 176.43 1jkv s ALA 233 N 2.66 1.51 0.30 5.51 0.00 -0.15 -4.89 121.76 126.71 1jkv s ALA 233 Ca 0.31 -0.39 0.37 0.00 0.00 0.00 0.00 51.96 52.25 1jkv s ALA 233 Cb -0.15 -3.08 1.82 0.00 0.00 0.00 0.00 23.12 21.70 1jkv s ALA 233 CO 0.08 -2.43 2.12 -0.22 0.00 0.00 0.00 175.76 175.31 1jkv h LYS 234 N -1.60 0.00 -0.15 0.00 3.64 -1.97 0.37 116.57 116.86 1jkv h LYS 234 Ca -0.52 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1jkv h LYS 234 Cb 1.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 1jkv h LYS 234 CO 0.59 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.37 1jkv n ASP 235 N -2.98 1.54 0.00 4.20 5.75 -1.26 -4.93 116.55 118.87 1jkv n ASP 235 Ca -0.01 -1.68 0.00 0.00 -0.01 0.00 0.00 54.79 53.09 1jkv n ASP 235 Cb 0.18 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 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 1.11 0.78 3.78 6.12 0.00 0.12 -5.06 105.19 112.04 1jkv n GLY 236 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.66 3.09 0.46 1.61 2.12 -1.26 -4.82 118.70 119.24 1jkv s GLU 237 Ca 0.00 -0.44 -0.21 0.00 0.36 0.00 0.00 54.97 54.68 1jkv s GLU 237 Cb 0.00 -2.88 -0.10 0.00 0.26 0.00 0.00 34.13 31.41 1jkv s GLU 237 CO 0.00 0.67 1.00 0.15 -0.54 0.00 0.00 175.26 176.54 1jkv s LYS 238 N -1.57 3.99 0.22 4.30 1.02 -1.26 -0.97 119.74 125.47 1jkv s LYS 238 Ca 0.21 1.26 -0.30 0.00 0.02 0.00 0.00 55.97 57.16 1jkv s LYS 238 Cb -0.12 -2.14 -0.08 0.00 -0.52 0.00 0.00 37.83 34.97 1jkv s LYS 238 CO 0.12 -0.25 1.07 -0.06 -0.92 0.00 0.00 175.35 175.31 1jkv s PHE 239 N -2.06 3.65 0.51 3.18 0.08 -0.41 -4.87 117.98 118.06 1jkv s PHE 239 Ca 0.65 1.68 0.09 0.00 0.12 0.00 0.00 56.93 59.47 1jkv s PHE 239 Cb -0.13 -3.23 0.05 0.00 -0.57 0.00 0.00 43.02 39.13 1jkv s PHE 239 CO 0.17 -0.42 0.65 0.95 -0.10 0.00 0.00 175.22 176.48 1jkv s THR 240 N -0.66 2.44 -0.02 0.64 -4.23 -0.38 -0.97 115.64 112.47 1jkv s THR 240 Ca 0.47 -1.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 1jkv s THR 240 Cb -0.30 -2.51 0.02 0.00 1.34 0.00 0.00 72.50 71.06 1jkv s THR 240 CO 0.36 0.00 0.00 -0.47 -0.54 0.00 0.00 174.62 173.98 1jkv s TYR 241 N -2.55 0.20 -0.30 3.99 5.04 -1.26 -0.68 117.35 121.78 1jkv s TYR 241 Ca 0.56 0.03 -0.00 0.00 -2.44 0.00 0.00 57.07 55.22 1jkv s TYR 241 Cb -0.07 -0.29 0.06 0.00 0.35 0.00 0.00 41.96 42.02 1jkv s TYR 241 CO 0.35 -0.09 -0.01 -1.14 -1.34 0.00 0.00 175.55 173.31 1jkv s GLN 242 N 0.77 2.31 0.32 4.97 0.74 -0.07 -4.94 119.66 123.76 1jkv s GLN 242 Ca -0.07 -1.35 0.03 0.00 0.05 0.00 0.00 55.36 54.02 1jkv s GLN 242 Cb -0.10 -3.13 0.53 0.00 1.10 0.00 0.00 33.01 31.41 1jkv s GLN 242 CO -0.02 -0.65 1.84 1.49 -0.55 0.00 0.00 175.29 177.40 1jkv h GLU 243 N 7.92 0.58 -2.87 1.67 4.81 -1.91 -1.94 114.58 122.84 1jkv h GLU 243 Ca -0.19 -0.14 -0.61 0.00 -0.13 0.00 0.00 59.36 58.29 1jkv h GLU 243 Cb 1.05 -0.08 -0.40 0.00 0.63 0.00 0.00 28.75 29.95 1jkv h GLU 243 CO 0.52 0.61 -0.75 -0.80 -0.73 0.00 0.00 179.01 177.87 1jkv s ASN 244 N -6.72 3.46 0.44 1.04 0.01 -1.26 -4.60 114.94 107.31 1jkv s ASN 244 Ca -0.08 -3.10 -0.24 0.00 -0.71 0.00 0.00 52.86 48.73 1jkv s ASN 244 Cb 0.15 -1.07 -0.09 0.00 0.41 0.00 0.00 41.25 40.65 1jkv s ASN 244 CO 0.78 -0.19 1.17 -2.65 -1.51 0.00 0.00 177.10 174.70 1jkv n PRO 245 N 2.90 1.65 -4.01 -0.60 -0.02 -1.26 -4.98 135.00 128.69 1jkv n PRO 245 Ca 0.17 0.59 -0.36 0.00 -2.02 0.00 0.00 63.50 61.88 1jkv n PRO 245 Cb 0.38 -2.28 -0.07 0.00 -0.02 0.00 0.00 33.50 31.51 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 -2.24 3.31 -0.61 -0.52 -1.05 -1.26 -5.05 118.70 111.27 1jkv s GLU 246 Ca 0.64 -0.24 -0.25 0.00 -0.15 0.00 0.00 54.97 54.97 1jkv s GLU 246 Cb -0.51 -3.07 0.04 0.00 -0.44 0.00 0.00 34.13 30.16 1jkv s GLU 246 CO 0.56 0.74 1.05 0.00 0.95 0.00 0.00 175.26 178.56 1jkv s ALA 247 N -1.04 3.06 -1.79 -0.84 0.00 -1.26 -4.90 121.76 114.99 1jkv s ALA 247 Ca 0.16 -1.29 0.24 0.00 0.00 0.00 0.00 51.96 51.07 1jkv s ALA 247 Cb -0.12 -3.90 0.25 0.00 0.00 0.00 0.00 23.12 19.35 1jkv s ALA 247 CO 0.06 -2.65 1.25 -1.33 0.00 0.00 0.00 175.76 173.08 1jkv n MET 248 N 7.99 0.90 -0.18 0.00 0.00 -1.26 -4.69 117.12 119.88 1jkv n MET 248 Ca 0.02 -0.68 0.12 0.00 0.00 0.00 0.00 57.70 57.16 1jkv n MET 248 Cb 0.48 -1.49 0.22 0.00 0.00 0.00 0.00 33.22 32.43 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 1.41 1.63 0.08 3.03 0.00 -1.26 -5.09 105.19 104.99 1jkv n GLY 249 Ca 0.09 -0.73 0.01 0.00 0.00 0.00 0.00 46.02 45.40 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 1.49 -1.53 3.51 -0.02 0.00 -1.26 -4.86 105.19 102.52 1jkv n GLY 250 Ca 0.19 -1.51 -0.38 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.40 4.92 0.43 -0.61 -1.09 -1.26 -5.06 121.20 117.13 1jkv s ILE 251 Ca 0.00 -0.13 -0.25 0.00 -2.23 0.00 0.00 60.65 58.04 1jkv s ILE 251 Cb 0.00 -3.42 -0.09 0.00 -1.58 0.00 0.00 42.46 37.37 1jkv s ILE 251 CO 0.00 0.17 1.33 -2.65 -1.23 0.00 0.00 174.94 172.56 1jkv n PRO 252 N 5.02 2.04 -3.25 2.79 -0.02 -1.26 -4.99 135.00 135.33 1jkv n PRO 252 Ca -0.14 0.72 -0.15 0.00 -2.02 0.00 0.00 63.50 61.92 1jkv n PRO 252 Cb 0.51 -2.47 -0.06 0.00 -0.02 0.00 0.00 33.50 31.46 1jkv n PRO 252 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1jkv s HIS 253 N -1.20 -0.40 0.25 6.00 2.46 -1.26 -5.14 115.29 115.99 1jkv s HIS 253 Ca 0.61 -0.96 -0.18 0.00 0.47 0.00 0.00 55.06 55.00 1jkv s HIS 253 Cb -0.49 -0.31 -0.08 0.00 -0.13 0.00 0.00 32.58 31.57 1jkv s HIS 253 CO 0.58 -1.02 0.72 0.42 -2.47 0.00 0.00 174.74 172.97 1jkv s ILE 254 N 1.12 4.61 0.14 0.89 1.01 -1.26 -5.02 121.20 122.70 1jkv s ILE 254 Ca 0.22 1.17 -0.31 0.00 0.00 0.00 0.00 60.65 61.73 1jkv s ILE 254 Cb -0.09 -3.79 -0.09 0.00 0.01 0.00 0.00 42.46 38.51 1jkv s ILE 254 CO -0.06 0.10 1.44 -0.75 0.00 0.00 0.00 174.94 175.67 1jkv s LYS 255 N -2.24 4.29 0.49 2.79 2.20 -1.26 -4.97 119.74 121.04 1jkv s LYS 255 Ca 0.46 2.17 -0.22 0.00 -0.36 0.00 0.00 55.97 58.01 1jkv s LYS 255 Cb -0.15 -3.21 -0.08 0.00 -1.51 0.00 0.00 37.83 32.88 1jkv s LYS 255 CO 0.20 -0.48 1.11 -2.30 -0.36 0.00 0.00 175.35 173.52 1jkv n PRO 256 N 3.81 1.40 -1.37 4.03 -0.02 -1.26 -4.98 135.00 136.62 1jkv n PRO 256 Ca 0.12 0.51 -0.30 0.00 -2.02 0.00 0.00 63.50 61.81 1jkv n PRO 256 Cb 0.41 -2.24 0.11 0.00 -0.02 0.00 0.00 33.50 31.76 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 -0.87 1.62 0.42 -1.23 0.00 -1.26 -5.00 107.32 101.01 1jkv s GLY 257 Ca 0.68 -0.10 -0.25 0.00 0.00 0.00 0.00 44.72 45.04 1jkv s GLY 257 CO 0.53 0.34 1.24 1.34 0.00 0.00 0.00 173.10 176.55 1jkv n ASP 258 N -3.64 2.39 0.06 1.64 -0.08 -1.26 -4.89 116.55 110.78 1jkv n ASP 258 Ca 0.07 1.10 0.20 0.00 -1.51 0.00 0.00 54.79 54.66 1jkv n ASP 258 Cb 0.55 -1.48 0.74 0.00 2.34 0.00 0.00 41.12 43.27 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 2.02 0.00 0.00 -0.67 0.11 -2.00 -1.54 132.00 129.91 1jkv h PRO 259 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1jkv h PRO 259 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1jkv h PRO 259 CO 0.60 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.39 1jkv h ARG 260 N 0.00 0.00 0.00 1.05 3.08 -2.04 -1.65 114.38 114.81 1jkv h ARG 260 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1jkv h ARG 260 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.06 1jkv h ARG 260 CO -0.00 0.00 -0.21 -0.07 -1.07 0.00 0.00 179.97 178.62 1jkv h LEU 261 N 0.00 0.00 -1.09 3.04 3.38 -1.63 -3.48 115.31 115.53 1jkv h LEU 261 Ca 0.00 -0.02 -0.41 0.00 0.09 0.00 0.00 57.88 57.53 1jkv h LEU 261 Cb 0.08 0.00 0.09 0.00 0.09 0.00 0.00 40.66 40.92 1jkv h LEU 261 CO 0.00 0.01 -0.73 1.41 0.09 0.00 0.00 178.44 179.22 1jkv n HIS 262 N -2.69 -2.54 -1.91 1.13 8.25 -0.62 -4.87 115.22 111.96 1jkv n HIS 262 Ca 0.04 0.96 -0.42 0.00 -0.26 0.00 0.00 57.72 58.04 1jkv n HIS 262 Cb 0.49 -4.71 0.00 0.00 1.12 0.00 0.00 29.99 26.89 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 -2.99 4.18 -4.56 0.41 3.02 -1.26 -4.93 115.26 109.12 1jkv n ASN 263 Ca -0.06 -2.90 -0.42 0.00 -0.03 0.00 0.00 54.58 51.18 1jkv n ASN 263 Cb 0.58 -1.63 -0.03 0.00 -0.61 0.00 0.00 39.78 38.09 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 2.76 2.56 -0.01 3.10 3.76 -1.26 -4.82 115.29 121.38 1jkv s HIS 264 Ca 0.46 0.25 0.01 0.00 -0.15 0.00 0.00 55.06 55.63 1jkv s HIS 264 Cb 0.12 -4.48 0.02 0.00 1.11 0.00 0.00 32.58 29.35 1jkv s HIS 264 CO -0.06 -1.66 0.96 1.04 -0.85 0.00 0.00 174.74 174.17 1jkv n GLN 265 N 8.50 2.57 -0.78 1.40 6.02 -1.26 -5.29 117.38 128.54 1jkv n GLN 265 Ca 0.06 -1.48 0.00 0.00 -0.01 0.00 0.00 57.00 55.57 1jkv n GLN 265 Cb 0.49 -0.99 0.00 0.00 1.02 0.00 0.00 30.24 30.76 1jkv n GLN 265 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46