#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1krv s MET 3 N 0.00 0.55 0.61 -3.83 -1.94 -1.26 -5.17 119.30 108.27 1krv s MET 3 Ca 0.00 0.84 -0.19 0.00 -1.71 0.00 0.00 55.69 54.63 1krv s MET 3 Cb 0.00 0.41 -0.02 0.00 2.01 0.00 0.00 34.83 37.22 1krv s MET 3 CO 0.00 -0.75 1.30 -0.35 -0.01 0.00 0.00 175.02 175.20 1krv n PRO 4 N 5.42 1.29 -0.30 2.03 -0.04 -1.26 -4.82 135.00 137.32 1krv n PRO 4 Ca 0.01 0.49 0.14 0.00 -0.04 0.00 0.00 63.50 64.10 1krv n PRO 4 Cb 0.52 -2.53 0.31 0.00 -0.04 0.00 0.00 33.50 31.76 1krv n PRO 4 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1krv h MET 5 N 0.81 0.22 0.00 0.54 2.86 -1.97 0.20 114.93 117.58 1krv h MET 5 Ca -0.51 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.12 1krv h MET 5 Cb 1.33 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.94 1krv h MET 5 CO 0.54 0.14 0.00 1.79 1.06 0.00 0.00 176.91 180.44 1krv h THR 6 N 0.22 0.00 0.00 2.22 1.35 -1.91 -2.63 112.91 112.16 1krv h THR 6 Ca 0.57 -0.22 -0.27 0.00 -0.55 0.00 0.00 66.41 65.94 1krv h THR 6 Cb 1.18 0.95 -0.05 0.00 -1.73 0.00 0.00 68.15 68.50 1krv h THR 6 CO -0.65 0.00 -1.64 -0.33 -0.25 0.00 0.00 175.52 172.65 1krv h GLU 7 N 0.00 0.00 -0.45 4.72 5.08 -0.95 -3.26 114.58 119.72 1krv h GLU 7 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1krv h GLU 7 Cb 0.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1krv h GLU 7 CO 0.00 0.49 -0.21 0.00 -1.00 0.00 0.00 179.01 178.29 1krv h ARG 8 N 0.00 0.90 -0.14 2.33 2.47 -1.20 -1.78 114.38 116.96 1krv h ARG 8 Ca -0.26 -0.37 0.04 0.00 -1.26 0.00 0.00 59.98 58.13 1krv h ARG 8 Cb 1.95 -0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 30.19 1krv h ARG 8 CO 0.08 1.02 -0.14 0.82 0.56 0.00 0.00 179.97 182.31 1krv h ILE 9 N 0.78 0.61 0.00 2.04 2.04 -1.59 0.18 117.51 121.58 1krv h ILE 9 Ca 0.11 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.93 1krv h ILE 9 Cb 0.76 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1krv h ILE 9 CO 0.06 0.00 -0.18 0.03 0.00 0.00 0.00 178.15 178.06 1krv h ARG 10 N -0.17 0.00 -0.01 2.37 3.08 -1.58 -2.18 114.38 115.88 1krv h ARG 10 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1krv h ARG 10 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1krv h ARG 10 CO -0.24 0.18 -0.11 0.00 -1.07 0.00 0.00 179.97 178.73 1krv n ALA 11 N -2.23 2.80 -2.52 0.04 0.00 -0.48 -4.94 120.51 113.18 1krv n ALA 11 Ca -0.00 -0.38 -0.12 0.00 0.00 0.00 0.00 53.44 52.94 1krv n ALA 11 Cb 0.36 -1.21 0.01 0.00 0.00 0.00 0.00 19.45 18.62 1krv n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1krv n GLY 12 N 1.24 0.00 3.85 0.00 0.00 0.40 -5.03 105.19 105.65 1krv n GLY 12 Ca 0.16 -0.34 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 1krv n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1krv s LYS 13 N -4.96 2.72 0.43 1.61 1.02 0.18 -4.84 119.74 115.89 1krv s LYS 13 Ca 0.11 -1.29 -0.25 0.00 0.02 0.00 0.00 55.97 54.56 1krv s LYS 13 Cb -0.05 -2.47 -0.08 0.00 -0.52 0.00 0.00 37.83 34.71 1krv s LYS 13 CO 0.14 0.11 1.28 -0.51 -0.92 0.00 0.00 175.35 175.45 1krv s LEU 14 N -3.98 4.15 0.29 3.17 1.43 -1.26 -4.38 118.68 118.11 1krv s LEU 14 Ca 0.40 2.61 -0.15 0.00 -1.03 0.00 0.00 54.13 55.96 1krv s LEU 14 Cb -0.06 -3.99 0.02 0.00 0.03 0.00 0.00 46.19 42.19 1krv s LEU 14 CO 0.26 -0.92 0.62 0.72 0.23 0.00 0.00 176.35 177.26 1krv s PHE 15 N -1.31 0.21 0.25 0.29 -0.71 -0.07 -4.88 117.98 111.76 1krv s PHE 15 Ca 0.59 -0.65 0.04 0.00 -1.04 0.00 0.00 56.93 55.86 1krv s PHE 15 Cb -0.37 0.45 -0.05 0.00 -1.21 0.00 0.00 43.02 41.84 1krv s PHE 15 CO 0.46 -1.20 0.01 0.95 -1.34 0.00 0.00 175.22 174.11 1krv s THR 16 N -3.56 1.06 -0.19 -4.49 -4.23 -1.26 -1.38 115.64 101.58 1krv s THR 16 Ca 0.18 -2.03 0.18 0.00 -1.18 0.00 0.00 61.69 58.85 1krv s THR 16 Cb -0.03 -2.44 0.47 0.00 1.34 0.00 0.00 72.50 71.83 1krv s THR 16 CO 0.10 -0.25 1.16 -0.90 -0.54 0.00 0.00 174.62 174.19 1krv n ASP 17 N -0.47 2.19 -2.33 3.99 5.68 -1.26 -4.81 116.55 119.53 1krv n ASP 17 Ca -0.04 -2.67 -0.35 0.00 -0.50 0.00 0.00 54.79 51.23 1krv n ASP 17 Cb 0.64 -0.41 0.08 0.00 -1.14 0.00 0.00 41.12 40.29 1krv n ASP 17 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1krv n MET 18 N -0.42 2.69 -3.83 0.11 2.81 -1.26 -3.87 117.12 113.36 1krv n MET 18 Ca 0.17 -3.29 -0.05 0.00 -1.81 0.00 0.00 57.70 52.72 1krv n MET 18 Cb 0.91 -2.29 0.01 0.00 -0.71 0.00 0.00 33.22 31.14 1krv n MET 18 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1krv n GLU 20 N -0.58 -1.52 -0.33 0.00 1.02 -1.26 -1.86 120.64 116.10 1krv n GLU 20 Ca -0.05 1.06 0.00 0.00 -0.02 0.00 0.00 57.16 58.15 1krv n GLU 20 Cb 0.60 -5.58 0.00 0.00 -0.02 0.00 0.00 31.44 26.44 1krv n GLU 20 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1krv n GLY 21 N -0.83 1.82 0.26 0.62 0.00 -1.26 -4.90 105.19 100.90 1krv n GLY 21 Ca -0.22 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.82 1krv n GLY 21 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1krv h LEU 22 N 0.00 0.34 -0.47 0.99 3.38 -1.63 0.11 115.31 118.03 1krv h LEU 22 Ca 0.00 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1krv h LEU 22 Cb 0.00 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1krv h LEU 22 CO 0.00 0.18 0.29 -0.65 0.09 0.00 0.00 178.44 178.34 1krv h PRO 23 N 0.50 0.56 -0.30 1.13 0.11 -1.78 -2.13 132.00 130.09 1krv h PRO 23 Ca 0.36 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.45 1krv h PRO 23 Cb 0.46 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 1krv h PRO 23 CO -0.33 0.37 0.16 0.93 -0.21 0.00 0.00 178.00 178.93 1krv h GLU 24 N 0.57 0.33 -0.57 1.05 3.07 -1.60 -1.86 114.58 115.58 1krv h GLU 24 Ca 0.18 -0.02 0.09 0.00 -0.50 0.00 0.00 59.36 59.11 1krv h GLU 24 Cb -0.00 -0.07 -0.07 0.00 -0.84 0.00 0.00 28.75 27.76 1krv h GLU 24 CO -0.08 0.22 0.19 0.87 -1.40 0.00 0.00 179.01 178.82 1krv h LYS 25 N 0.34 0.36 -0.63 2.33 1.57 -0.42 -0.24 116.57 119.88 1krv h LYS 25 Ca 0.12 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1krv h LYS 25 Cb 0.01 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1krv h LYS 25 CO -0.06 0.24 0.31 0.00 -0.57 0.00 0.00 179.45 179.37 1krv h ARG 26 N 0.37 0.88 -0.80 3.15 3.08 -1.03 -1.51 114.38 118.51 1krv h ARG 26 Ca 0.28 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 60.18 1krv h ARG 26 Cb 0.34 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 1krv h ARG 26 CO -0.30 0.67 0.32 1.25 -1.07 0.00 0.00 179.97 180.84 1krv h LEU 27 N 0.88 1.11 0.10 3.04 5.85 -0.23 0.81 115.31 126.87 1krv h LEU 27 Ca 0.22 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1krv h LEU 27 Cb 0.07 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 40.82 1krv h LEU 27 CO -0.03 0.98 -0.05 0.03 -0.34 0.00 0.00 178.44 179.03 1krv h ARG 28 N 1.17 -0.14 -0.14 1.25 2.47 -0.86 -1.89 114.38 116.24 1krv h ARG 28 Ca 0.27 0.01 0.04 0.00 -1.26 0.00 0.00 59.98 59.03 1krv h ARG 28 Cb 0.22 0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.53 1krv h ARG 28 CO -0.02 0.20 -0.10 0.78 0.56 0.00 0.00 179.97 181.40 1krv h GLY 29 N -0.49 0.02 2.00 0.04 0.00 -1.05 -0.29 103.07 103.31 1krv h GLY 29 Ca -0.01 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1krv h GLY 29 CO 0.02 -0.11 0.00 0.50 0.00 0.00 0.00 176.54 176.95 1krv h LYS 30 N -0.10 0.00 0.22 4.80 6.56 0.65 -1.77 116.57 126.93 1krv h LYS 30 Ca 0.09 0.00 -0.29 0.00 -1.06 0.00 0.00 60.65 59.38 1krv h LYS 30 Cb 0.23 0.00 0.03 0.00 -0.57 0.00 0.00 32.23 31.92 1krv h LYS 30 CO -0.21 0.00 -1.29 1.15 -2.06 0.00 0.00 179.45 177.04 1krv h THR 31 N 0.00 1.34 -0.41 -0.16 2.02 -0.21 -2.52 112.91 112.98 1krv h THR 31 Ca 0.00 -2.64 -0.14 0.00 0.77 0.00 0.00 66.41 64.40 1krv h THR 31 Cb 0.10 3.09 -0.01 0.00 -1.74 0.00 0.00 68.15 69.58 1krv h THR 31 CO 0.00 0.78 -0.30 -0.07 0.37 0.00 0.00 175.52 176.31 1krv h LEU 32 N -0.01 0.92 -0.79 2.58 3.38 -0.94 -2.41 115.31 118.04 1krv h LEU 32 Ca -0.23 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.37 1krv h LEU 32 Cb 2.01 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 42.47 1krv h LEU 32 CO 0.24 1.15 0.52 -0.03 0.09 0.00 0.00 178.44 180.40 1krv h MET 33 N 0.75 1.05 -0.66 1.13 4.05 -1.41 -0.64 114.93 119.20 1krv h MET 33 Ca 0.08 -0.07 -0.04 0.00 -0.28 0.00 0.00 59.70 59.40 1krv h MET 33 Cb 0.86 -0.23 -0.03 0.00 -0.80 0.00 0.00 31.60 31.40 1krv h MET 33 CO 0.08 0.70 0.27 -0.92 0.23 0.00 0.00 176.91 177.26 1krv h TYR 34 N 1.08 1.00 -0.46 1.39 5.03 -1.13 -0.30 116.97 123.56 1krv h TYR 34 Ca 0.29 -0.07 -0.06 0.00 2.58 0.00 0.00 58.73 61.46 1krv h TYR 34 Cb -0.11 -0.30 -0.02 0.00 1.55 0.00 0.00 36.73 37.85 1krv h TYR 34 CO -0.02 0.78 0.03 0.93 -1.32 0.00 0.00 178.16 178.56 1krv h GLU 35 N 0.93 0.75 0.05 1.82 5.08 -0.95 -1.41 114.58 120.85 1krv h GLU 35 Ca 0.22 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1krv h GLU 35 Cb 0.20 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1krv h GLU 35 CO -0.02 0.74 -0.03 0.35 -1.00 0.00 0.00 179.01 179.05 1krv h PHE 36 N 0.71 -0.07 -0.09 4.33 3.57 -0.74 -2.50 116.94 122.14 1krv h PHE 36 Ca 0.14 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 1krv h PHE 36 Cb 0.39 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 1krv h PHE 36 CO 0.02 0.35 -0.14 -0.91 -2.23 0.00 0.00 178.31 175.40 1krv h ASN 37 N -0.51 0.13 -0.01 0.41 -0.26 -0.95 -2.32 115.58 112.08 1krv h ASN 37 Ca -0.01 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 1krv h ASN 37 Cb 0.45 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.67 1krv h ASN 37 CO 0.01 0.29 -0.01 1.41 -1.06 0.00 0.00 177.43 178.07 1krv n HIS 38 N -4.30 0.00 -2.16 1.19 8.25 -0.54 -4.88 115.22 112.78 1krv n HIS 38 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.03 1krv n HIS 38 Cb 0.25 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.33 1krv n HIS 38 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1krv s SER 39 N -2.02 6.83 0.43 0.41 1.04 -0.88 -5.00 113.70 114.52 1krv s SER 39 Ca 0.35 2.49 -0.25 0.00 0.48 0.00 0.00 55.95 59.02 1krv s SER 39 Cb 0.21 -2.62 -0.08 0.00 0.10 0.00 0.00 66.02 63.63 1krv s SER 39 CO 0.34 -0.56 1.30 -2.28 0.98 0.00 0.00 173.24 173.02 1krv s HIS 40 N -0.08 2.74 0.38 5.02 2.46 -1.26 -4.92 115.29 119.62 1krv s HIS 40 Ca 0.56 1.41 0.18 0.00 0.47 0.00 0.00 55.06 57.68 1krv s HIS 40 Cb -0.38 -3.67 1.12 0.00 -0.13 0.00 0.00 32.58 29.52 1krv s HIS 40 CO 0.41 -2.18 1.71 -1.35 -2.47 0.00 0.00 174.74 170.85 1krv h PRO 41 N 2.45 0.34 -0.09 2.88 0.11 -1.99 -1.10 132.00 134.60 1krv h PRO 41 Ca -0.50 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.44 1krv h PRO 41 Cb 1.25 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1krv h PRO 41 CO 0.62 0.23 -0.59 0.66 -0.21 0.00 0.00 178.00 178.71 1krv h SER 42 N 0.35 0.34 0.00 -2.05 4.64 -2.04 -3.37 113.55 111.42 1krv h SER 42 Ca 0.69 -0.19 -0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1krv h SER 42 Cb 1.70 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 1krv h SER 42 CO -0.44 0.85 0.91 -0.62 -0.87 0.00 0.00 176.83 176.66 1krv n GLU 43 N -3.90 0.00 -0.18 4.77 1.02 -0.42 -4.54 120.64 117.40 1krv n GLU 43 Ca -0.03 -0.41 -0.07 0.00 -0.02 0.00 0.00 57.16 56.64 1krv n GLU 43 Cb 0.61 -1.91 0.09 0.00 -0.02 0.00 0.00 31.44 30.21 1krv n GLU 43 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1krv h VAL 44 N 3.81 1.26 -0.09 2.62 2.07 -1.82 -1.26 116.25 122.84 1krv h VAL 44 Ca 0.00 -1.05 -0.08 0.00 0.82 0.00 0.00 66.70 66.40 1krv h VAL 44 Cb 0.00 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1krv h VAL 44 CO 0.91 0.38 -0.24 -0.33 0.02 0.00 0.00 177.57 178.31 1krv h GLU 45 N 0.90 0.32 -0.56 1.57 3.07 -1.97 -0.87 114.58 117.05 1krv h GLU 45 Ca 0.17 -0.22 0.08 0.00 -0.50 0.00 0.00 59.36 58.89 1krv h GLU 45 Cb 0.47 0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 28.35 1krv h GLU 45 CO 0.02 0.84 0.21 -0.22 -1.40 0.00 0.00 179.01 178.45 1krv h LYS 46 N -0.14 0.38 -0.59 2.33 3.64 -1.92 -0.54 116.57 119.72 1krv h LYS 46 Ca -0.00 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1krv h LYS 46 Cb 0.85 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.55 1krv h LYS 46 CO 0.05 0.25 0.30 0.00 -2.27 0.00 0.00 179.45 177.79 1krv h ARG 47 N 0.39 0.85 -0.35 1.90 3.08 -1.20 0.68 114.38 119.73 1krv h ARG 47 Ca 0.28 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.18 1krv h ARG 47 Cb 0.31 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1krv h ARG 47 CO -0.27 0.67 0.07 0.93 -1.07 0.00 0.00 179.97 180.29 1krv h GLU 48 N 0.81 0.52 0.05 0.04 5.08 0.32 -2.26 114.58 119.14 1krv h GLU 48 Ca 0.21 -0.09 -0.26 0.00 -1.00 0.00 0.00 59.36 58.21 1krv h GLU 48 Cb 0.09 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1krv h GLU 48 CO -0.03 0.49 -1.34 0.66 -1.00 0.00 0.00 179.01 177.79 1krv h SER 49 N 0.51 0.17 -0.62 1.42 4.64 -0.90 -3.21 113.55 115.56 1krv h SER 49 Ca 0.12 -0.22 0.01 0.00 -0.47 0.00 0.00 61.79 61.22 1krv h SER 49 Cb 0.23 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.23 1krv h SER 49 CO -0.00 1.18 0.41 -0.07 -0.87 0.00 0.00 176.83 177.48 1krv h LEU 50 N 0.03 0.70 -1.07 5.97 3.38 -0.52 -0.44 115.31 123.36 1krv h LEU 50 Ca -0.15 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 1krv h LEU 50 Cb 1.92 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 1krv h LEU 50 CO 0.14 0.51 -0.42 0.16 0.09 0.00 0.00 178.44 178.91 1krv h ILE 51 N 0.83 1.31 -0.05 1.22 3.07 -1.52 0.20 117.51 122.58 1krv h ILE 51 Ca 0.23 -1.49 -0.09 0.00 1.55 0.00 0.00 64.86 65.06 1krv h ILE 51 Cb -0.08 1.75 -0.01 0.00 -0.27 0.00 0.00 36.82 38.21 1krv h ILE 51 CO -0.06 0.43 -0.39 0.11 -1.05 0.00 0.00 178.15 177.20 1krv h LYS 52 N 0.07 0.10 0.00 0.16 1.57 -1.31 -2.70 116.57 114.47 1krv h LYS 52 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1krv h LYS 52 Cb 0.78 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1krv h LYS 52 CO 0.06 0.48 -0.93 1.49 -0.57 0.00 0.00 179.45 179.98 1krv h GLU 53 N 0.09 0.00 0.00 3.15 4.57 -0.65 -3.38 114.58 118.35 1krv h GLU 53 Ca 0.01 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 58.00 1krv h GLU 53 Cb 0.73 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.29 1krv h GLU 53 CO 0.05 0.00 -1.74 0.00 -1.18 0.00 0.00 179.01 176.15 1krv n MET 54 N -2.51 0.64 -3.86 1.92 0.00 0.02 -4.91 117.12 108.42 1krv n MET 54 Ca 0.01 0.10 -0.33 0.00 0.00 0.00 0.00 57.70 57.48 1krv n MET 54 Cb 0.52 -1.69 -0.05 0.00 0.00 0.00 0.00 33.22 32.00 1krv n MET 54 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 1krv s PHE 55 N -2.92 3.55 0.37 3.17 0.08 -1.03 -3.69 117.98 117.51 1krv s PHE 55 Ca -0.05 0.41 0.04 0.00 0.12 0.00 0.00 56.93 57.45 1krv s PHE 55 Cb 0.09 -1.87 0.71 0.00 -0.57 0.00 0.00 43.02 41.38 1krv s PHE 55 CO 0.83 0.62 2.01 0.00 -0.10 0.00 0.00 175.22 178.59 1krv h ALA 56 N 3.71 1.58 -2.67 5.36 0.00 -1.01 -3.43 119.26 122.80 1krv h ALA 56 Ca -0.49 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.25 1krv h ALA 56 Cb 1.19 -0.22 -0.27 0.00 0.00 0.00 0.00 17.79 18.49 1krv h ALA 56 CO 0.69 0.37 -0.33 0.99 0.00 0.00 0.00 179.25 180.98 1krv s THR 57 N -5.58 -0.10 -0.00 0.00 2.01 -1.12 -5.00 115.64 105.84 1krv s THR 57 Ca -0.09 0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.04 1krv s THR 57 Cb 0.17 -0.59 -0.01 0.00 0.01 0.00 0.00 72.50 72.09 1krv s THR 57 CO 0.75 0.05 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.98 1krv s VAL 58 N 1.53 0.45 0.58 3.82 1.01 -1.24 0.76 120.40 127.31 1krv s VAL 58 Ca -0.08 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 61.66 1krv s VAL 58 Cb -0.09 -0.39 0.08 0.00 0.00 0.00 0.00 36.38 35.97 1krv s VAL 58 CO -0.12 0.10 0.80 -0.83 0.00 0.00 0.00 175.10 175.04 1krv s GLY 59 N -0.22 1.79 0.66 4.51 0.00 0.07 -4.96 107.32 109.18 1krv s GLY 59 Ca 0.01 -1.83 -0.17 0.00 0.00 0.00 0.00 44.72 42.73 1krv s GLY 59 CO -0.00 -1.42 1.26 1.85 0.00 0.00 0.00 173.10 174.79 1krv s GLU 60 N -4.75 2.53 -1.18 2.90 2.12 -1.26 -3.79 118.70 115.26 1krv s GLU 60 Ca 0.61 1.95 -0.07 0.00 0.36 0.00 0.00 54.97 57.82 1krv s GLU 60 Cb -0.07 -1.86 -0.02 0.00 0.26 0.00 0.00 34.13 32.44 1krv s GLU 60 CO 0.39 -1.59 0.82 0.09 -0.54 0.00 0.00 175.26 174.43 1krv n ASN 61 N -2.05 -3.74 -4.88 -1.70 5.03 -1.26 -0.51 115.26 106.15 1krv n ASN 61 Ca 0.15 -0.81 -0.36 0.00 0.87 0.00 0.00 54.58 54.43 1krv n ASN 61 Cb 0.49 -4.34 -0.06 0.00 -1.02 0.00 0.00 39.78 34.85 1krv n ASN 61 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1krv s ALA 62 N -3.51 3.89 -0.07 5.41 0.00 -1.25 -2.89 121.76 123.34 1krv s ALA 62 Ca 0.24 -0.68 -0.03 0.00 0.00 0.00 0.00 51.96 51.49 1krv s ALA 62 Cb -0.06 -1.93 0.04 0.00 0.00 0.00 0.00 23.12 21.17 1krv s ALA 62 CO 0.79 0.66 0.16 -0.46 0.00 0.00 0.00 175.76 176.91 1krv s TRP 63 N -1.12 -0.18 -0.21 0.00 -0.11 0.90 -4.92 118.94 113.30 1krv s TRP 63 Ca 0.19 0.54 -0.01 0.00 1.22 0.00 0.00 56.10 58.04 1krv s TRP 63 Cb -0.12 -0.14 0.06 0.00 -1.50 0.00 0.00 33.47 31.76 1krv s TRP 63 CO 0.08 -0.21 -0.03 0.08 -4.62 0.00 0.00 176.95 172.26 1krv s VAL 64 N 1.59 1.14 -0.41 5.86 1.01 -1.26 -1.43 120.40 126.90 1krv s VAL 64 Ca -0.05 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 60.75 1krv s VAL 64 Cb -0.12 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.81 1krv s VAL 64 CO -0.06 -0.08 1.47 -0.70 0.00 0.00 0.00 175.10 175.73 1krv s GLU 65 N 1.58 3.51 0.71 2.72 2.56 -0.45 -5.00 118.70 124.34 1krv s GLU 65 Ca -0.03 0.98 -0.15 0.00 0.00 0.00 0.00 54.97 55.76 1krv s GLU 65 Cb -0.18 -4.06 0.03 0.00 2.00 0.00 0.00 34.13 31.92 1krv s GLU 65 CO -0.07 -1.64 1.21 -2.14 -0.56 0.00 0.00 175.26 172.06 1krv s PRO 66 N 5.09 2.23 0.35 4.30 0.02 -1.26 -3.72 135.00 142.02 1krv s PRO 66 Ca 0.64 1.79 -0.20 0.00 0.02 0.00 0.00 61.00 63.24 1krv s PRO 66 Cb -0.15 -1.84 -0.10 0.00 0.02 0.00 0.00 34.50 32.43 1krv s PRO 66 CO 0.32 -1.77 0.87 -1.25 -0.33 0.00 0.00 177.00 174.84 1krv s PRO 67 N -3.83 4.26 0.11 5.54 0.04 -1.26 -4.68 135.00 135.18 1krv s PRO 67 Ca 0.75 1.02 0.10 0.00 0.04 0.00 0.00 61.00 62.91 1krv s PRO 67 Cb -0.30 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 31.74 1krv s PRO 67 CO 0.44 0.14 -0.24 0.54 0.04 0.00 0.00 177.00 177.91 1krv s VAL 68 N -1.92 2.01 -0.01 -0.36 0.11 -1.26 -1.00 120.40 117.96 1krv s VAL 68 Ca 0.55 -1.64 0.01 0.00 -2.93 0.00 0.00 61.98 57.97 1krv s VAL 68 Cb -0.12 -1.79 0.01 0.00 -1.53 0.00 0.00 36.38 32.94 1krv s VAL 68 CO 0.17 0.04 -0.01 -0.31 -3.33 0.00 0.00 175.10 171.66 1krv s TYR 69 N -1.09 0.23 0.33 1.54 2.02 -0.35 -4.92 117.35 115.10 1krv s TYR 69 Ca 0.11 -0.02 -0.14 0.00 -0.37 0.00 0.00 57.07 56.65 1krv s TYR 69 Cb -0.10 -0.22 0.03 0.00 -0.40 0.00 0.00 41.96 41.26 1krv s TYR 69 CO 0.05 -0.05 0.65 -0.59 -1.57 0.00 0.00 175.55 174.05 1krv s PHE 70 N 0.34 0.28 -0.16 2.71 -0.12 -1.26 0.58 117.98 120.35 1krv s PHE 70 Ca -0.03 -0.76 -0.01 0.00 -0.05 0.00 0.00 56.93 56.08 1krv s PHE 70 Cb -0.06 0.50 -0.23 0.00 -0.63 0.00 0.00 43.02 42.61 1krv s PHE 70 CO -0.01 -1.30 0.19 0.43 -0.05 0.00 0.00 175.22 174.48 1krv n SER 71 N -0.99 1.89 0.03 1.98 7.64 -1.15 -4.86 113.62 118.17 1krv n SER 71 Ca -0.04 0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1krv n SER 71 Cb 0.60 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 1krv n SER 71 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1krv n TYR 72 N -3.35 -0.40 0.00 1.43 4.02 -1.26 -4.51 117.16 113.09 1krv n TYR 72 Ca -0.35 0.07 0.00 0.00 -0.01 0.00 0.00 57.90 57.61 1krv n TYR 72 Cb 1.03 0.24 0.00 0.00 -0.02 0.00 0.00 39.34 40.59 1krv n TYR 72 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1krv n GLY 73 N 2.43 3.29 0.65 2.72 0.00 -1.26 -4.32 105.19 108.69 1krv n GLY 73 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1krv n GLY 73 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1krv n SER 74 N 0.04 1.90 -0.15 1.61 3.41 -1.24 -2.31 113.62 116.89 1krv n SER 74 Ca 0.00 -1.93 0.03 0.00 -0.26 0.00 0.00 58.87 56.71 1krv n SER 74 Cb 0.00 -0.21 0.06 0.00 -0.26 0.00 0.00 64.21 63.79 1krv n SER 74 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1krv n ASN 75 N 0.52 2.28 -4.42 4.04 3.02 -1.26 -4.48 115.26 114.96 1krv n ASN 75 Ca 0.13 -2.23 -0.35 0.00 -0.03 0.00 0.00 54.58 52.10 1krv n ASN 75 Cb 0.32 -0.13 -0.13 0.00 -0.61 0.00 0.00 39.78 39.23 1krv n ASN 75 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1krv s ILE 76 N -1.40 3.85 -0.21 2.41 1.01 -1.21 -0.92 121.20 124.74 1krv s ILE 76 Ca 0.11 -0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.43 1krv s ILE 76 Cb 0.08 -2.75 0.04 0.00 0.01 0.00 0.00 42.46 39.84 1krv s ILE 76 CO 0.03 0.42 -0.14 -1.00 0.00 0.00 0.00 174.94 174.25 1krv s HIS 77 N 1.15 2.77 -0.01 3.97 3.76 -0.05 -2.16 115.29 124.72 1krv s HIS 77 Ca 0.03 -1.79 0.04 0.00 -0.15 0.00 0.00 55.06 53.18 1krv s HIS 77 Cb -0.14 -1.82 -0.03 0.00 1.11 0.00 0.00 32.58 31.69 1krv s HIS 77 CO 0.01 -0.80 -0.10 0.42 -0.85 0.00 0.00 174.74 173.42 1krv s ILE 78 N 1.28 3.39 0.00 0.60 1.01 0.23 -0.42 121.20 127.28 1krv s ILE 78 Ca -0.01 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.84 1krv s ILE 78 Cb -0.16 -2.43 0.00 0.00 0.01 0.00 0.00 42.46 39.88 1krv s ILE 78 CO -0.09 0.45 0.00 0.61 0.00 0.00 0.00 174.94 175.91 1krv n GLY 79 N 1.79 0.91 3.94 6.18 0.00 -0.45 -2.12 105.19 115.44 1krv n GLY 79 Ca -0.16 -1.41 -0.27 0.00 0.00 0.00 0.00 46.02 44.18 1krv n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1krv s ARG 80 N 0.08 3.47 -1.34 1.61 0.52 -1.26 -0.75 118.95 121.27 1krv s ARG 80 Ca 0.00 -0.50 -0.02 0.00 -0.52 0.00 0.00 55.73 54.69 1krv s ARG 80 Cb 0.00 -2.93 0.01 0.00 0.52 0.00 0.00 34.95 32.55 1krv s ARG 80 CO 0.00 0.49 0.70 0.09 0.02 0.00 0.00 175.30 176.60 1krv n ASN 81 N -0.50 -1.46 -4.74 0.23 5.03 0.33 -0.23 115.26 113.93 1krv n ASN 81 Ca -0.06 -0.83 -0.40 0.00 0.87 0.00 0.00 54.58 54.15 1krv n ASN 81 Cb 0.54 -3.93 -0.05 0.00 -1.02 0.00 0.00 39.78 35.31 1krv n ASN 81 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1krv s PHE 82 N -3.66 3.76 -0.06 3.10 5.36 -1.14 -3.96 117.98 121.39 1krv s PHE 82 Ca 0.07 1.57 -0.01 0.00 -0.96 0.00 0.00 56.93 57.61 1krv s PHE 82 Cb -0.04 -2.88 0.03 0.00 -0.34 0.00 0.00 43.02 39.79 1krv s PHE 82 CO 0.82 0.26 -0.00 -0.47 -1.46 0.00 0.00 175.22 174.37 1krv s TYR 83 N -0.08 0.60 -0.02 10.12 5.04 -0.91 -0.07 117.35 132.03 1krv s TYR 83 Ca 0.41 -0.13 0.03 0.00 -2.44 0.00 0.00 57.07 54.95 1krv s TYR 83 Cb -0.21 -0.70 -0.00 0.00 0.35 0.00 0.00 41.96 41.39 1krv s TYR 83 CO 0.25 -0.27 -0.12 0.00 -1.34 0.00 0.00 175.55 174.07 1krv s ALA 84 N 1.65 1.05 0.60 3.97 0.00 -0.51 -0.42 121.76 128.10 1krv s ALA 84 Ca -0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 1krv s ALA 84 Cb -0.13 -0.32 0.06 0.00 0.00 0.00 0.00 23.12 22.73 1krv s ALA 84 CO -0.04 0.21 0.42 -1.71 0.00 0.00 0.00 175.76 174.65 1krv n ASN 85 N 3.03 0.46 -4.48 0.00 2.85 0.24 -1.34 115.26 116.01 1krv n ASN 85 Ca -0.16 -1.41 -0.38 0.00 -0.11 0.00 0.00 54.58 52.52 1krv n ASN 85 Cb 0.55 -0.28 0.04 0.00 1.24 0.00 0.00 39.78 41.32 1krv n ASN 85 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1krv n PHE 86 N -2.09 -0.55 -3.92 1.20 3.01 -1.24 -3.79 117.46 110.07 1krv n PHE 86 Ca 0.07 0.44 -0.27 0.00 1.01 0.00 0.00 57.45 58.70 1krv n PHE 86 Cb 0.23 -1.97 0.00 0.00 -0.01 0.00 0.00 39.48 37.73 1krv n PHE 86 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1krv n ASN 87 N 0.39 -1.75 -4.77 4.37 3.02 -0.17 -1.36 115.26 114.99 1krv n ASN 87 Ca 0.12 -0.92 -0.38 0.00 -0.03 0.00 0.00 54.58 53.37 1krv n ASN 87 Cb 0.47 -3.42 -0.04 0.00 -0.61 0.00 0.00 39.78 36.19 1krv n ASN 87 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1krv s LEU 88 N -6.99 4.27 -0.07 3.41 2.96 -1.21 -3.53 118.68 117.50 1krv s LEU 88 Ca 0.23 2.11 -0.01 0.00 -0.22 0.00 0.00 54.13 56.24 1krv s LEU 88 Cb -0.12 -4.01 0.03 0.00 0.50 0.00 0.00 46.19 42.59 1krv s LEU 88 CO 0.86 -0.39 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.59 1krv s THR 89 N -1.50 0.53 -0.22 3.68 2.01 -0.55 -1.21 115.64 118.38 1krv s THR 89 Ca 0.54 -0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.54 1krv s THR 89 Cb -0.25 -0.64 0.06 0.00 0.01 0.00 0.00 72.50 71.68 1krv s THR 89 CO 0.32 0.27 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.84 1krv s ILE 90 N 1.72 1.43 -0.76 1.82 1.01 0.20 -0.44 121.20 126.17 1krv s ILE 90 Ca 0.02 -1.11 -0.21 0.00 0.00 0.00 0.00 60.65 59.35 1krv s ILE 90 Cb -0.13 -1.69 0.09 0.00 0.01 0.00 0.00 42.46 40.74 1krv s ILE 90 CO -0.05 -0.08 1.02 -0.69 0.00 0.00 0.00 174.94 175.15 1krv s VAL 91 N 1.45 4.49 -0.91 2.92 1.01 0.46 -2.93 120.40 126.89 1krv s VAL 91 Ca -0.05 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1krv s VAL 91 Cb -0.18 -4.72 0.31 0.00 0.00 0.00 0.00 36.38 31.79 1krv s VAL 91 CO -0.07 -1.47 1.37 -0.90 0.00 0.00 0.00 175.10 174.04 1krv n ASP 92 N 7.23 5.93 0.00 3.32 5.75 -1.26 -2.34 116.55 135.18 1krv n ASP 92 Ca 0.07 -3.55 0.11 0.00 -0.01 0.00 0.00 54.79 51.42 1krv n ASP 92 Cb 0.47 -1.02 0.63 0.00 -1.03 0.00 0.00 41.12 40.17 1krv n ASP 92 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1krv n ASP 93 N 0.57 0.00 -3.08 -1.12 8.00 -1.26 -4.53 116.55 115.14 1krv n ASP 93 Ca 0.34 -0.33 -0.08 0.00 0.71 0.00 0.00 54.79 55.43 1krv n ASP 93 Cb 0.33 -0.17 0.02 0.00 -0.02 0.00 0.00 41.12 41.28 1krv n ASP 93 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1krv s TYR 94 N -2.34 0.08 0.06 1.24 5.04 -1.26 -5.04 117.35 115.13 1krv s TYR 94 Ca 0.27 -0.70 -0.37 0.00 -2.44 0.00 0.00 57.07 53.83 1krv s TYR 94 Cb 0.16 0.81 -0.17 0.00 0.35 0.00 0.00 41.96 43.11 1krv s TYR 94 CO 0.32 -1.47 1.31 2.41 -1.34 0.00 0.00 175.55 176.78 1krv n THR 95 N -0.54 0.01 -3.76 4.34 -1.04 -1.26 -4.82 114.28 107.21 1krv n THR 95 Ca -0.07 -0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.69 1krv n THR 95 Cb 0.60 -0.71 -0.17 0.00 -1.82 0.00 0.00 70.33 68.22 1krv n THR 95 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1krv s VAL 96 N 0.51 0.42 -0.18 12.58 1.01 -0.09 -2.42 120.40 132.22 1krv s VAL 96 Ca 0.86 -0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.74 1krv s VAL 96 Cb -1.00 -0.70 0.01 0.00 0.00 0.00 0.00 36.38 34.69 1krv s VAL 96 CO 0.49 0.10 -0.16 -0.89 0.00 0.00 0.00 175.10 174.65 1krv s THR 97 N 1.94 2.48 -0.18 3.92 2.01 -0.36 -0.87 115.64 124.58 1krv s THR 97 Ca 0.03 -0.81 -0.04 0.00 0.31 0.00 0.00 61.69 61.18 1krv s THR 97 Cb -0.14 -2.07 -0.02 0.00 0.01 0.00 0.00 72.50 70.28 1krv s THR 97 CO -0.06 0.51 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.73 1krv s ILE 98 N 1.22 3.86 0.00 1.82 1.01 0.44 -0.06 121.20 129.49 1krv s ILE 98 Ca 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.32 1krv s ILE 98 Cb -0.14 -2.72 0.00 0.00 0.01 0.00 0.00 42.46 39.61 1krv s ILE 98 CO -0.08 0.45 0.00 0.61 0.00 0.00 0.00 174.94 175.93 1krv n GLY 99 N 4.03 -1.77 3.86 6.18 0.00 0.48 -1.34 105.19 116.62 1krv n GLY 99 Ca -0.17 -1.30 -0.35 0.00 0.00 0.00 0.00 46.02 44.19 1krv n GLY 99 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1krv s ASP 100 N -1.55 6.71 -1.33 1.61 1.01 -1.26 -2.65 116.67 119.20 1krv s ASP 100 Ca 0.00 0.88 -0.04 0.00 0.71 0.00 0.00 52.55 54.10 1krv s ASP 100 Cb 0.00 -2.21 -0.00 0.00 1.01 0.00 0.00 42.92 41.71 1krv s ASP 100 CO 0.00 0.18 0.54 0.59 0.21 0.00 0.00 175.17 176.69 1krv n ASN 101 N 1.01 -1.46 -4.86 0.27 4.13 0.69 0.85 115.26 115.88 1krv n ASN 101 Ca -0.08 -0.98 -0.36 0.00 1.68 0.00 0.00 54.58 54.84 1krv n ASN 101 Cb 0.52 -3.29 -0.06 0.00 -1.54 0.00 0.00 39.78 35.41 1krv n ASN 101 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1krv s VAL 102 N -3.81 5.18 -0.13 2.41 1.01 -1.25 -3.08 120.40 120.74 1krv s VAL 102 Ca 0.10 0.48 0.03 0.00 0.00 0.00 0.00 61.98 62.58 1krv s VAL 102 Cb -0.04 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.74 1krv s VAL 102 CO 0.87 0.45 -0.21 -0.76 0.00 0.00 0.00 175.10 175.46 1krv s LEU 103 N -1.47 2.02 -0.19 3.92 1.43 -0.18 -2.13 118.68 122.08 1krv s LEU 103 Ca 0.26 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1krv s LEU 103 Cb -0.14 -1.36 0.03 0.00 0.03 0.00 0.00 46.19 44.75 1krv s LEU 103 CO 0.14 0.08 -0.15 -0.63 0.23 0.00 0.00 176.35 176.02 1krv s ILE 104 N 0.78 1.88 1.09 -0.59 1.01 0.43 -1.34 121.20 124.47 1krv s ILE 104 Ca -0.09 -1.03 -0.16 0.00 0.00 0.00 0.00 60.65 59.38 1krv s ILE 104 Cb -0.16 -1.83 0.23 0.00 0.01 0.00 0.00 42.46 40.71 1krv s ILE 104 CO -0.00 0.32 1.11 0.00 0.00 0.00 0.00 174.94 176.37 1krv s ALA 105 N 1.32 0.86 0.67 9.38 0.00 -0.75 -0.59 121.76 132.65 1krv s ALA 105 Ca 0.01 -0.67 -0.17 0.00 0.00 0.00 0.00 51.96 51.13 1krv s ALA 105 Cb -0.15 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1krv s ALA 105 CO -0.10 -3.15 1.24 -2.30 0.00 0.00 0.00 175.76 171.45 1krv n PRO 106 N -4.41 0.93 -3.87 0.00 -0.02 -1.26 -4.08 135.00 122.28 1krv n PRO 106 Ca 0.09 0.38 -0.39 0.00 -2.02 0.00 0.00 63.50 61.56 1krv n PRO 106 Cb 0.58 -2.48 0.03 0.00 -0.02 0.00 0.00 33.50 31.62 1krv n PRO 106 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1krv n ASN 107 N -2.01 -4.78 -4.79 2.55 3.02 -0.47 -2.00 115.26 106.78 1krv n ASN 107 Ca 0.15 -1.14 -0.29 0.00 -0.03 0.00 0.00 54.58 53.27 1krv n ASN 107 Cb 0.48 -2.49 -0.06 0.00 -0.61 0.00 0.00 39.78 37.11 1krv n ASN 107 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1krv s VAL 108 N -3.46 4.58 -0.09 2.41 1.01 -1.23 -2.01 120.40 121.60 1krv s VAL 108 Ca 0.46 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 1krv s VAL 108 Cb -0.21 -3.24 0.03 0.00 0.00 0.00 0.00 36.38 32.95 1krv s VAL 108 CO 0.92 0.07 -0.03 -0.89 0.00 0.00 0.00 175.10 175.16 1krv s THR 109 N -1.49 0.65 -0.14 3.92 2.01 -0.76 -1.47 115.64 118.35 1krv s THR 109 Ca 0.30 -0.07 -0.03 0.00 0.31 0.00 0.00 61.69 62.20 1krv s THR 109 Cb -0.12 -0.76 -0.03 0.00 0.01 0.00 0.00 72.50 71.61 1krv s THR 109 CO 0.23 0.29 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.65 1krv s LEU 110 N 1.86 3.24 -0.10 4.42 1.02 0.41 -1.29 118.68 128.24 1krv s LEU 110 Ca 0.05 -0.11 -0.04 0.00 0.02 0.00 0.00 54.13 54.05 1krv s LEU 110 Cb -0.12 -1.77 0.05 0.00 0.02 0.00 0.00 46.19 44.37 1krv s LEU 110 CO -0.07 0.20 0.18 -0.55 0.02 0.00 0.00 176.35 176.14 1krv s SER 111 N 0.16 0.78 0.00 2.29 0.15 -0.74 -0.40 113.70 115.94 1krv s SER 111 Ca -0.02 0.31 0.26 0.00 0.70 0.00 0.00 55.95 57.20 1krv s SER 111 Cb -0.14 0.34 0.69 0.00 -1.71 0.00 0.00 66.02 65.19 1krv s SER 111 CO 0.03 -0.25 1.53 1.33 1.20 0.00 0.00 173.24 177.08 1krv n VAL 112 N 5.33 0.00 -3.85 4.45 0.24 -0.99 -1.39 118.33 122.13 1krv n VAL 112 Ca -0.05 -0.02 -0.37 0.00 -2.04 0.00 0.00 64.34 61.86 1krv n VAL 112 Cb 0.50 0.16 -0.06 0.00 -1.47 0.00 0.00 33.84 32.96 1krv n VAL 112 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1krv s THR 113 N -2.89 5.47 0.22 3.34 2.01 -1.26 -0.96 115.64 121.58 1krv s THR 113 Ca 0.15 0.24 -0.00 0.00 0.31 0.00 0.00 61.69 62.39 1krv s THR 113 Cb 0.18 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 1krv s THR 113 CO 0.64 0.60 0.12 -0.83 -0.69 0.00 0.00 174.62 174.46 1krv s GLY 114 N -1.08 1.57 0.00 4.40 0.00 -0.69 -4.75 107.32 106.76 1krv s GLY 114 Ca 0.16 -1.76 0.07 0.00 0.00 0.00 0.00 44.72 43.19 1krv s GLY 114 CO 0.06 -1.47 -0.23 0.30 0.00 0.00 0.00 173.10 171.75 1krv s HIS 115 N -4.00 2.06 0.41 1.90 3.76 -1.26 -1.93 115.29 116.23 1krv s HIS 115 Ca 0.39 -0.39 -0.27 0.00 -0.15 0.00 0.00 55.06 54.64 1krv s HIS 115 Cb 0.07 -1.30 -0.10 0.00 1.11 0.00 0.00 32.58 32.37 1krv s HIS 115 CO 0.13 0.01 1.48 -0.35 -0.85 0.00 0.00 174.74 175.15 1krv n PRO 116 N 2.30 2.53 -0.14 8.40 -0.04 -1.26 -4.90 135.00 141.89 1krv n PRO 116 Ca -0.16 0.89 -0.08 0.00 -0.04 0.00 0.00 63.50 64.11 1krv n PRO 116 Cb 0.52 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 1krv n PRO 116 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1krv h VAL 117 N 2.69 1.16 -2.86 0.52 2.07 -1.99 -3.42 116.25 114.41 1krv h VAL 117 Ca -0.51 -0.40 -0.57 0.00 0.82 0.00 0.00 66.70 66.04 1krv h VAL 117 Cb 1.25 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 1krv h VAL 117 CO 0.63 0.17 1.10 -2.28 0.02 0.00 0.00 177.57 177.20 1krv s HIS 118 N -5.86 2.23 0.44 1.57 5.65 -1.26 -4.85 115.29 113.20 1krv s HIS 118 Ca -0.13 0.62 0.15 0.00 0.25 0.00 0.00 55.06 55.95 1krv s HIS 118 Cb 0.11 -3.98 0.83 0.00 -1.18 0.00 0.00 32.58 28.35 1krv s HIS 118 CO 0.74 -2.64 1.41 1.12 -0.65 0.00 0.00 174.74 174.72 1krv h HIS 119 N 10.49 0.00 0.62 3.88 -0.00 -1.95 0.06 115.15 128.25 1krv h HIS 119 Ca -0.32 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.02 1krv h HIS 119 Cb 1.14 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.56 1krv h HIS 119 CO 0.91 0.00 -0.30 1.49 -0.00 0.00 0.00 177.93 180.03 1krv h GLU 120 N 0.00 -0.81 -0.08 5.12 4.57 -1.93 -3.05 114.58 118.40 1krv h GLU 120 Ca 0.00 0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.26 1krv h GLU 120 Cb 1.03 0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1krv h GLU 120 CO 0.00 -0.54 0.20 -0.07 -1.18 0.00 0.00 179.01 177.42 1krv h LEU 121 N -1.20 0.00 -3.47 1.64 3.38 -1.34 -2.42 115.31 111.91 1krv h LEU 121 Ca -0.09 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.60 1krv h LEU 121 Cb 0.64 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.22 1krv h LEU 121 CO 0.14 0.00 -0.13 -2.11 0.09 0.00 0.00 178.44 176.43 1krv n ARG 122 N -3.28 2.19 -0.01 1.13 1.85 -1.19 -4.58 116.66 112.76 1krv n ARG 122 Ca -0.01 -3.37 0.11 0.00 -1.00 0.00 0.00 57.85 53.59 1krv n ARG 122 Cb 0.29 -1.93 0.54 0.00 -1.05 0.00 0.00 32.46 30.30 1krv n ARG 122 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 1krv h LYS 123 N 1.28 0.31 -0.32 2.89 1.57 -1.32 -2.06 116.57 118.92 1krv h LYS 123 Ca 0.28 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1krv h LYS 123 Cb 1.56 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.80 1krv h LYS 123 CO 0.55 0.20 0.00 0.09 -0.57 0.00 0.00 179.45 179.73 1krv n ASN 124 N -4.47 3.90 0.00 0.86 5.03 -1.26 -4.93 115.26 114.39 1krv n ASN 124 Ca 0.07 -2.81 0.00 0.00 0.87 0.00 0.00 54.58 52.72 1krv n ASN 124 Cb 0.32 -0.50 0.00 0.00 -1.02 0.00 0.00 39.78 38.58 1krv n ASN 124 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1krv n GLY 125 N -0.17 0.50 3.32 7.41 0.00 -0.77 -5.01 105.19 110.46 1krv n GLY 125 Ca 0.20 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 1krv n GLY 125 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1krv n GLU 126 N -2.90 0.18 -3.94 1.61 4.71 -1.26 -4.95 120.64 114.09 1krv n GLU 126 Ca 0.00 0.07 -0.10 0.00 -0.01 0.00 0.00 57.16 57.13 1krv n GLU 126 Cb 0.00 -1.28 -0.06 0.00 -1.01 0.00 0.00 31.44 29.09 1krv n GLU 126 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1krv s MET 127 N -1.53 1.27 0.09 3.49 0.23 -0.48 -4.46 119.30 117.91 1krv s MET 127 Ca 0.60 -1.15 0.04 0.00 -1.03 0.00 0.00 55.69 54.15 1krv s MET 127 Cb -0.45 0.41 -0.03 0.00 -1.53 0.00 0.00 34.83 33.23 1krv s MET 127 CO 0.63 -0.49 -0.10 1.52 -2.03 0.00 0.00 175.02 174.54 1krv s TYR 128 N -3.97 1.05 -0.06 3.16 -0.85 -0.81 -0.90 117.35 114.97 1krv s TYR 128 Ca 0.18 -0.62 0.00 0.00 -0.52 0.00 0.00 57.07 56.11 1krv s TYR 128 Cb 0.02 -0.58 0.02 0.00 0.38 0.00 0.00 41.96 41.80 1krv s TYR 128 CO 0.02 0.00 -0.04 -1.12 -1.52 0.00 0.00 175.55 172.89 1krv s SER 129 N -2.29 1.30 -0.14 -0.18 0.01 -1.26 -1.71 113.70 109.43 1krv s SER 129 Ca 0.03 -0.15 -0.00 0.00 1.31 0.00 0.00 55.95 57.14 1krv s SER 129 Cb -0.04 -0.51 0.03 0.00 0.21 0.00 0.00 66.02 65.70 1krv s SER 129 CO 0.00 -0.09 -0.08 -0.36 0.41 0.00 0.00 173.24 173.12 1krv s PHE 130 N 1.25 1.76 0.23 2.43 0.08 -0.13 -4.60 117.98 119.00 1krv s PHE 130 Ca -0.05 -1.01 -0.30 0.00 0.12 0.00 0.00 56.93 55.69 1krv s PHE 130 Cb -0.14 -1.36 -0.15 0.00 -0.57 0.00 0.00 43.02 40.80 1krv s PHE 130 CO -0.02 -0.59 0.97 -0.35 -0.10 0.00 0.00 175.22 175.12 1krv n PRO 131 N 4.87 1.00 -4.19 0.24 -0.04 -1.26 0.26 135.00 135.88 1krv n PRO 131 Ca -0.13 0.35 -0.36 0.00 -0.04 0.00 0.00 63.50 63.32 1krv n PRO 131 Cb 0.49 -1.70 -0.08 0.00 -0.04 0.00 0.00 33.50 32.17 1krv n PRO 131 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1krv s ILE 132 N -0.74 4.75 -0.12 0.52 1.01 -1.02 -3.44 121.20 122.16 1krv s ILE 132 Ca 0.65 -0.08 -0.01 0.00 0.00 0.00 0.00 60.65 61.21 1krv s ILE 132 Cb -0.81 -3.03 0.04 0.00 0.01 0.00 0.00 42.46 38.67 1krv s ILE 132 CO 0.57 0.61 -0.01 -0.89 0.00 0.00 0.00 174.94 175.21 1krv s THR 133 N -0.88 0.62 -0.20 2.92 2.01 -0.83 -1.22 115.64 118.06 1krv s THR 133 Ca 0.13 -0.20 -0.07 0.00 0.31 0.00 0.00 61.69 61.86 1krv s THR 133 Cb -0.12 -0.83 -0.04 0.00 0.01 0.00 0.00 72.50 71.53 1krv s THR 133 CO 0.03 0.16 0.07 -0.63 -0.69 0.00 0.00 174.62 173.55 1krv s ILE 134 N 1.86 4.64 0.33 1.82 -1.09 0.91 -0.98 121.20 128.69 1krv s ILE 134 Ca 0.03 -0.08 -0.06 0.00 -2.23 0.00 0.00 60.65 58.32 1krv s ILE 134 Cb -0.14 -3.11 0.08 0.00 -1.58 0.00 0.00 42.46 37.71 1krv s ILE 134 CO -0.07 0.42 0.32 0.61 -1.23 0.00 0.00 174.94 174.99 1krv n GLY 135 N 3.99 -2.21 3.85 6.18 0.00 0.42 -0.39 105.19 117.04 1krv n GLY 135 Ca -0.16 -1.52 -0.31 0.00 0.00 0.00 0.00 46.02 44.03 1krv n GLY 135 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1krv s ASN 136 N -2.34 6.56 -1.50 1.61 0.01 -1.26 -3.65 114.94 114.37 1krv s ASN 136 Ca 0.20 1.42 -0.13 0.00 -0.71 0.00 0.00 52.86 53.65 1krv s ASN 136 Cb -0.02 -2.45 0.09 0.00 0.41 0.00 0.00 41.25 39.29 1krv s ASN 136 CO 0.15 -0.55 0.79 0.59 -1.51 0.00 0.00 177.10 176.57 1krv n ASN 137 N -1.59 -4.38 -4.84 -1.22 5.03 0.25 -0.52 115.26 107.99 1krv n ASN 137 Ca 0.05 -0.67 -0.37 0.00 0.87 0.00 0.00 54.58 54.46 1krv n ASN 137 Cb 0.54 -3.54 -0.06 0.00 -1.02 0.00 0.00 39.78 35.70 1krv n ASN 137 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1krv s VAL 138 N -3.18 5.26 -0.18 2.41 1.01 -1.24 -3.87 120.40 120.61 1krv s VAL 138 Ca 0.58 0.55 0.01 0.00 0.00 0.00 0.00 61.98 63.13 1krv s VAL 138 Cb -0.30 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.52 1krv s VAL 138 CO 0.72 0.57 -0.20 0.86 0.00 0.00 0.00 175.10 177.05 1krv s TRP 139 N -0.86 2.75 -0.22 5.22 -0.00 -0.86 -1.01 118.94 123.96 1krv s TRP 139 Ca 0.19 -1.61 -0.06 0.00 -0.00 0.00 0.00 56.10 54.62 1krv s TRP 139 Cb -0.14 -1.90 -0.03 0.00 -0.00 0.00 0.00 33.47 31.40 1krv s TRP 139 CO 0.08 -0.79 0.04 0.42 -0.00 0.00 0.00 176.95 176.71 1krv s ILE 140 N 1.25 4.20 1.28 5.86 1.01 -0.45 -1.07 121.20 133.27 1krv s ILE 140 Ca 0.04 -0.22 -0.21 0.00 0.00 0.00 0.00 60.65 60.25 1krv s ILE 140 Cb -0.13 -2.93 0.32 0.00 0.01 0.00 0.00 42.46 39.73 1krv s ILE 140 CO -0.12 0.39 0.93 0.61 0.00 0.00 0.00 174.94 176.75 1krv n GLY 141 N 4.52 -3.33 3.80 6.18 0.00 0.10 -1.82 105.19 114.64 1krv n GLY 141 Ca -0.17 -1.39 -0.34 0.00 0.00 0.00 0.00 46.02 44.12 1krv n GLY 141 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1krv s SER 142 N -3.70 6.50 -1.94 1.61 0.01 -1.26 -3.88 113.70 111.03 1krv s SER 142 Ca 0.65 1.93 0.00 0.00 1.31 0.00 0.00 55.95 59.84 1krv s SER 142 Cb -0.09 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.58 1krv s SER 142 CO 0.52 -0.67 0.00 1.41 0.41 0.00 0.00 173.24 174.91 1krv n HIS 143 N -0.74 -0.45 -1.81 2.43 8.25 -0.85 0.17 115.22 122.22 1krv n HIS 143 Ca 0.08 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.23 1krv n HIS 143 Cb 0.52 -3.54 0.03 0.00 1.12 0.00 0.00 29.99 28.12 1krv n HIS 143 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1krv s VAL 144 N -2.80 4.15 -0.06 1.59 1.01 -1.25 -4.02 120.40 119.02 1krv s VAL 144 Ca 0.00 0.80 -0.01 0.00 0.00 0.00 0.00 61.98 62.78 1krv s VAL 144 Cb 0.00 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.89 1krv s VAL 144 CO 0.00 -0.81 -0.01 -0.69 0.00 0.00 0.00 175.10 173.59 1krv s VAL 145 N -2.89 0.38 -0.20 2.92 1.01 -0.68 -1.83 120.40 119.11 1krv s VAL 145 Ca 0.59 0.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.59 1krv s VAL 145 Cb -0.13 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 1krv s VAL 145 CO 0.48 0.24 -0.03 -0.63 0.00 0.00 0.00 175.10 175.16 1krv s ILE 146 N 1.61 3.64 0.63 2.22 1.01 -0.41 -0.55 121.20 129.36 1krv s ILE 146 Ca -0.01 -0.42 -0.03 0.00 0.00 0.00 0.00 60.65 60.20 1krv s ILE 146 Cb -0.13 -2.64 0.05 0.00 0.01 0.00 0.00 42.46 39.75 1krv s ILE 146 CO -0.04 0.44 0.90 0.20 0.00 0.00 0.00 174.94 176.45 1krv s ASN 147 N 1.04 5.03 0.38 3.58 0.02 -0.55 -1.80 114.94 122.65 1krv s ASN 147 Ca 0.01 0.24 -0.25 0.00 -1.02 0.00 0.00 52.86 51.84 1krv s ASN 147 Cb -0.15 -1.00 -0.12 0.00 0.02 0.00 0.00 41.25 40.00 1krv s ASN 147 CO 0.01 -1.38 0.97 -2.65 0.02 0.00 0.00 177.10 174.06 1krv n PRO 148 N -2.65 1.29 -1.08 -0.60 -0.02 -0.48 -2.99 135.00 128.46 1krv n PRO 148 Ca 0.08 0.46 -0.03 0.00 -2.02 0.00 0.00 63.50 61.99 1krv n PRO 148 Cb 0.60 -1.94 -0.01 0.00 -0.02 0.00 0.00 33.50 32.13 1krv n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1krv n GLY 149 N 1.24 0.42 3.84 -1.23 0.00 0.14 -4.93 105.19 104.67 1krv n GLY 149 Ca 0.10 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1krv n GLY 149 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1krv s VAL 150 N -1.55 4.55 -0.12 1.61 1.01 -1.16 -4.87 120.40 119.87 1krv s VAL 150 Ca 0.00 1.17 -0.02 0.00 0.00 0.00 0.00 61.98 63.13 1krv s VAL 150 Cb 0.00 -3.66 0.04 0.00 0.00 0.00 0.00 36.38 32.76 1krv s VAL 150 CO 0.00 -0.44 0.01 -0.89 0.00 0.00 0.00 175.10 173.78 1krv s THR 151 N -2.31 0.43 -0.35 3.92 2.01 -1.26 -1.96 115.64 116.12 1krv s THR 151 Ca 0.58 -0.12 -0.15 0.00 0.31 0.00 0.00 61.69 62.31 1krv s THR 151 Cb -0.10 -0.71 -0.01 0.00 0.01 0.00 0.00 72.50 71.70 1krv s THR 151 CO 0.22 0.09 0.34 -0.63 -0.69 0.00 0.00 174.62 173.96 1krv s ILE 152 N 1.93 5.19 0.83 1.82 -1.09 -0.15 -1.11 121.20 128.62 1krv s ILE 152 Ca 0.03 -0.08 -0.11 0.00 -2.23 0.00 0.00 60.65 58.26 1krv s ILE 152 Cb -0.14 -3.83 0.10 0.00 -1.58 0.00 0.00 42.46 37.01 1krv s ILE 152 CO -0.06 -0.12 1.14 -0.83 -1.23 0.00 0.00 174.94 173.83 1krv s GLY 153 N 1.74 1.80 0.55 6.18 0.00 0.87 -0.43 107.32 118.02 1krv s GLY 153 Ca 0.10 0.54 -0.20 0.00 0.00 0.00 0.00 44.72 45.16 1krv s GLY 153 CO 0.12 0.93 0.89 1.22 0.00 0.00 0.00 173.10 176.25 1krv n ASP 154 N -3.72 0.53 0.00 1.64 8.00 -1.26 -3.03 116.55 118.72 1krv n ASP 154 Ca 0.11 0.85 0.00 0.00 0.71 0.00 0.00 54.79 56.47 1krv n ASP 154 Cb 0.52 -1.34 0.00 0.00 -0.02 0.00 0.00 41.12 40.29 1krv n ASP 154 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1krv n ASN 155 N -0.16 -4.04 -4.86 -2.24 5.03 0.33 -0.91 115.26 108.41 1krv n ASN 155 Ca 0.12 0.00 -0.31 0.00 0.87 0.00 0.00 54.58 55.26 1krv n ASN 155 Cb 0.45 -3.08 0.03 0.00 -1.02 0.00 0.00 39.78 36.16 1krv n ASN 155 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1krv s SER 156 N -1.92 5.70 -0.07 6.41 0.01 -1.17 -4.46 113.70 118.21 1krv s SER 156 Ca 0.00 1.39 0.03 0.00 1.31 0.00 0.00 55.95 58.68 1krv s SER 156 Cb 0.00 -2.32 0.01 0.00 0.21 0.00 0.00 66.02 63.92 1krv s SER 156 CO 0.00 -1.21 -0.17 -0.69 0.41 0.00 0.00 173.24 171.58 1krv s VAL 157 N -3.19 1.50 -0.35 3.43 1.01 -0.61 -2.04 120.40 120.16 1krv s VAL 157 Ca 0.57 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 1krv s VAL 157 Cb -0.12 -1.32 0.04 0.00 0.00 0.00 0.00 36.38 34.98 1krv s VAL 157 CO 0.54 0.43 0.13 -0.63 0.00 0.00 0.00 175.10 175.57 1krv s ILE 158 N 0.45 3.92 0.96 2.22 -1.09 -0.23 -1.27 121.20 126.16 1krv s ILE 158 Ca -0.14 -1.10 -0.12 0.00 -2.23 0.00 0.00 60.65 57.06 1krv s ILE 158 Cb -0.16 -3.22 0.10 0.00 -1.58 0.00 0.00 42.46 37.60 1krv s ILE 158 CO 0.05 -0.20 0.74 0.61 -1.23 0.00 0.00 174.94 174.91 1krv n GLY 159 N 4.84 -1.35 3.75 6.18 0.00 -0.11 0.03 105.19 118.55 1krv n GLY 159 Ca -0.12 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 1krv n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1krv s ALA 160 N -2.49 3.71 0.00 4.61 0.00 -1.26 -3.17 121.76 123.15 1krv s ALA 160 Ca 0.62 1.55 0.00 0.00 0.00 0.00 0.00 51.96 54.13 1krv s ALA 160 Cb -0.22 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.27 1krv s ALA 160 CO 0.63 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.83 1krv n GLY 161 N 1.86 0.85 3.81 0.00 0.00 0.13 -4.84 105.19 107.00 1krv n GLY 161 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1krv n GLY 161 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1krv s SER 162 N -2.77 6.86 -0.45 1.61 1.04 -1.19 -4.78 113.70 114.02 1krv s SER 162 Ca 0.00 1.77 -0.10 0.00 0.48 0.00 0.00 55.95 58.10 1krv s SER 162 Cb 0.00 -2.55 0.10 0.00 0.10 0.00 0.00 66.02 63.67 1krv s SER 162 CO 0.00 -0.41 0.32 -0.63 0.98 0.00 0.00 173.24 173.49 1krv s ILE 163 N -2.05 4.28 -0.33 -1.02 -1.09 -1.02 -1.68 121.20 118.29 1krv s ILE 163 Ca 0.61 -1.60 -0.24 0.00 -2.23 0.00 0.00 60.65 57.19 1krv s ILE 163 Cb -0.12 -3.73 0.01 0.00 -1.58 0.00 0.00 42.46 37.03 1krv s ILE 163 CO 0.16 -0.66 0.84 -0.69 -1.23 0.00 0.00 174.94 173.36 1krv s VAL 164 N 1.40 4.71 -0.20 2.92 1.01 0.29 -0.75 120.40 129.79 1krv s VAL 164 Ca 0.04 1.15 0.02 0.00 0.00 0.00 0.00 61.98 63.19 1krv s VAL 164 Cb -0.25 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 31.92 1krv s VAL 164 CO 0.01 -0.37 0.47 0.35 0.00 0.00 0.00 175.10 175.55 1krv n THR 165 N 5.71 0.00 -4.08 3.92 -2.24 -1.26 -1.48 114.28 114.86 1krv n THR 165 Ca 0.05 -0.49 -0.08 0.00 -2.27 0.00 0.00 64.05 61.25 1krv n THR 165 Cb 0.48 1.03 -0.10 0.00 -2.10 0.00 0.00 70.33 69.65 1krv n THR 165 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1krv s LYS 166 N -0.33 0.78 0.33 -0.78 1.02 -1.26 -4.94 119.74 114.56 1krv s LYS 166 Ca 0.02 -1.27 -0.29 0.00 0.02 0.00 0.00 55.97 54.45 1krv s LYS 166 Cb 0.01 0.24 -0.11 0.00 -0.52 0.00 0.00 37.83 37.46 1krv s LYS 166 CO 0.03 -0.20 1.55 -0.51 -0.92 0.00 0.00 175.35 175.31 1krv s ASP 167 N -2.96 6.34 -0.22 2.83 1.11 -1.26 -4.65 116.67 117.86 1krv s ASP 167 Ca 0.14 3.01 -0.07 0.00 0.18 0.00 0.00 52.55 55.81 1krv s ASP 167 Cb 0.07 -2.65 -0.03 0.00 1.07 0.00 0.00 42.92 41.38 1krv s ASP 167 CO -0.05 -0.91 0.05 -0.63 1.18 0.00 0.00 175.17 174.81 1krv s ILE 168 N -0.51 4.35 0.90 0.77 -1.09 -0.27 -4.94 121.20 120.40 1krv s ILE 168 Ca 0.59 -0.17 -0.11 0.00 -2.23 0.00 0.00 60.65 58.72 1krv s ILE 168 Cb -0.48 -2.99 0.13 0.00 -1.58 0.00 0.00 42.46 37.54 1krv s ILE 168 CO 0.55 0.39 1.09 -2.16 -1.23 0.00 0.00 174.94 173.59 1krv s PRO 169 N 1.10 1.25 0.64 2.79 0.04 -1.26 -0.09 135.00 139.47 1krv s PRO 169 Ca 0.04 0.92 -0.14 0.00 0.04 0.00 0.00 61.00 61.86 1krv s PRO 169 Cb -0.14 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.58 1krv s PRO 169 CO 0.03 -2.27 1.06 -1.25 0.04 0.00 0.00 177.00 174.60 1krv s PRO 170 N -4.88 3.13 -1.40 0.56 0.04 -1.26 -4.19 135.00 126.99 1krv s PRO 170 Ca 0.64 1.11 -0.05 0.00 0.04 0.00 0.00 61.00 62.74 1krv s PRO 170 Cb -0.19 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.35 1krv s PRO 170 CO 0.57 -0.95 0.63 0.09 0.04 0.00 0.00 177.00 177.38 1krv n ASN 171 N -2.49 -5.80 -4.31 6.66 4.13 -0.09 -4.92 115.26 108.45 1krv n ASN 171 Ca 0.08 -0.29 -0.16 0.00 1.68 0.00 0.00 54.58 55.89 1krv n ASN 171 Cb 0.53 -4.60 -0.10 0.00 -1.54 0.00 0.00 39.78 34.07 1krv n ASN 171 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1krv s VAL 172 N -3.15 0.89 -0.23 2.41 -7.23 -1.26 -0.83 120.40 111.00 1krv s VAL 172 Ca 0.31 -2.02 -0.03 0.00 -1.81 0.00 0.00 61.98 58.44 1krv s VAL 172 Cb -0.14 -2.33 0.01 0.00 0.56 0.00 0.00 36.38 34.48 1krv s VAL 172 CO 0.39 -0.32 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.11 1krv s VAL 173 N -3.52 3.12 0.10 1.32 1.01 0.53 -1.57 120.40 121.39 1krv s VAL 173 Ca 0.28 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.61 1krv s VAL 173 Cb 0.06 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 1krv s VAL 173 CO 0.08 0.33 -0.20 0.00 0.00 0.00 0.00 175.10 175.31 1krv s ALA 174 N 1.41 1.70 0.18 5.51 0.00 -0.39 -0.41 121.76 129.76 1krv s ALA 174 Ca 0.04 -1.20 -0.22 0.00 0.00 0.00 0.00 51.96 50.57 1krv s ALA 174 Cb -0.15 -0.22 0.08 0.00 0.00 0.00 0.00 23.12 22.82 1krv s ALA 174 CO -0.04 0.33 1.06 0.00 0.00 0.00 0.00 175.76 177.11 1krv s ALA 175 N -1.17 -1.64 0.00 0.00 0.00 0.18 -0.93 121.76 118.19 1krv s ALA 175 Ca 0.05 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1krv s ALA 175 Cb -0.10 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.81 1krv s ALA 175 CO 0.04 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.14 1krv n GLY 176 N -0.73 1.41 2.81 0.00 0.00 -1.26 0.83 105.19 108.25 1krv n GLY 176 Ca -0.02 -2.02 -0.30 0.00 0.00 0.00 0.00 46.02 43.68 1krv n GLY 176 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1krv s VAL 177 N -1.95 1.40 0.54 1.61 1.01 -1.26 0.00 120.40 121.75 1krv s VAL 177 Ca 0.00 -1.92 -0.17 0.00 0.00 0.00 0.00 61.98 59.89 1krv s VAL 177 Cb 0.00 -2.03 -0.06 0.00 0.00 0.00 0.00 36.38 34.29 1krv s VAL 177 CO 0.00 -0.70 1.03 -2.16 0.00 0.00 0.00 175.10 173.27 1krv s PRO 178 N 1.14 3.61 0.16 2.72 0.04 -1.26 -5.02 135.00 136.40 1krv s PRO 178 Ca 0.12 1.18 -0.34 0.00 0.04 0.00 0.00 61.00 62.00 1krv s PRO 178 Cb -0.19 -2.08 -0.14 0.00 0.04 0.00 0.00 34.50 32.14 1krv s PRO 178 CO -0.15 -0.57 1.60 0.00 0.04 0.00 0.00 177.00 177.92 1krv s ARG 180 N 1.01 0.72 -0.03 0.00 0.52 0.24 -4.79 118.95 116.62 1krv s ARG 180 Ca 0.79 -0.93 -0.30 0.00 -0.52 0.00 0.00 55.73 54.76 1krv s ARG 180 Cb -0.66 -0.57 -0.04 0.00 0.52 0.00 0.00 34.95 34.19 1krv s ARG 180 CO 0.37 0.11 1.33 0.08 0.02 0.00 0.00 175.30 177.22 1krv s VAL 181 N -1.58 3.92 -0.19 3.52 1.01 -1.26 0.48 120.40 126.30 1krv s VAL 181 Ca -0.03 1.27 0.18 0.00 0.00 0.00 0.00 61.98 63.40 1krv s VAL 181 Cb -0.08 -3.82 -0.27 0.00 0.00 0.00 0.00 36.38 32.21 1krv s VAL 181 CO 0.01 -0.01 0.47 2.30 0.00 0.00 0.00 175.10 177.87 1krv n ILE 182 N 4.72 0.00 0.00 2.22 -5.35 0.46 -4.93 119.36 116.48 1krv n ILE 182 Ca 0.13 -0.35 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 1krv n ILE 182 Cb 0.44 0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.61 1krv n ILE 182 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 1krv n ARG 183 N -1.99 0.00 -3.53 6.28 1.85 -1.08 -5.01 116.66 113.18 1krv n ARG 183 Ca -0.02 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.48 1krv n ARG 183 Cb 0.44 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.79 1krv n ARG 183 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1krv s GLU 184 N -2.00 3.82 -0.48 2.89 2.12 -1.26 -0.35 118.70 123.44 1krv s GLU 184 Ca 0.00 0.26 -0.29 0.00 0.36 0.00 0.00 54.97 55.31 1krv s GLU 184 Cb 0.00 -3.03 0.02 0.00 0.26 0.00 0.00 34.13 31.39 1krv s GLU 184 CO 0.00 0.57 1.26 0.42 -0.54 0.00 0.00 175.26 176.97 1krv s ILE 185 N -1.35 4.05 0.00 -3.70 1.01 -0.01 -4.87 121.20 116.32 1krv s ILE 185 Ca 0.32 1.04 0.00 0.00 0.00 0.00 0.00 60.65 62.01 1krv s ILE 185 Cb -0.15 -4.48 0.00 0.00 0.01 0.00 0.00 42.46 37.85 1krv s ILE 185 CO 0.17 -0.98 0.00 -0.46 0.00 0.00 0.00 174.94 173.67 1krv n ASN 186 N 8.39 0.00 0.11 3.58 2.04 -1.26 -4.96 115.26 123.16 1krv n ASN 186 Ca 0.13 -0.54 0.13 0.00 -0.44 0.00 0.00 54.58 53.86 1krv n ASN 186 Cb 0.49 0.00 0.41 0.00 -2.53 0.00 0.00 39.78 38.15 1krv n ASN 186 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 1krv n ASP 187 N -1.62 0.83 0.18 0.53 8.00 -1.26 -3.18 116.55 120.03 1krv n ASP 187 Ca 0.00 0.59 0.03 0.00 0.71 0.00 0.00 54.79 56.12 1krv n ASP 187 Cb 0.00 -0.81 0.38 0.00 -0.02 0.00 0.00 41.12 40.67 1krv n ASP 187 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1krv h ARG 188 N 0.00 0.05 0.00 -1.24 2.43 -1.96 -0.79 114.38 112.88 1krv h ARG 188 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1krv h ARG 188 Cb 0.70 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1krv h ARG 188 CO 0.00 0.36 0.00 -0.25 -1.51 0.00 0.00 179.97 178.57 1krv n ASP 189 N -4.16 0.70 0.21 -3.80 8.00 -1.19 -0.26 116.55 116.05 1krv n ASP 189 Ca -0.02 0.69 0.11 0.00 0.71 0.00 0.00 54.79 56.28 1krv n ASP 189 Cb 0.36 -0.83 0.21 0.00 -0.02 0.00 0.00 41.12 40.85 1krv n ASP 189 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1krv h LYS 190 N 0.00 0.00 0.00 -1.24 1.79 -1.29 -3.37 116.57 112.46 1krv h LYS 190 Ca 0.00 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.16 1krv h LYS 190 Cb 0.33 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.93 1krv h LYS 190 CO 0.00 0.11 -2.09 0.72 -1.08 0.00 0.00 179.45 177.11 1krv n HIS 191 N -3.14 0.00 -3.46 -1.35 8.25 -0.17 -4.87 115.22 110.48 1krv n HIS 191 Ca 0.03 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.09 1krv n HIS 191 Cb 0.54 -0.72 -0.10 0.00 1.12 0.00 0.00 29.99 30.84 1krv n HIS 191 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1krv s TYR 192 N -2.37 3.22 -0.08 4.41 1.51 0.64 -1.02 117.35 123.66 1krv s TYR 192 Ca -0.26 -0.04 0.14 0.00 -1.01 0.00 0.00 57.07 55.89 1krv s TYR 192 Cb 0.09 -2.58 -0.22 0.00 -0.11 0.00 0.00 41.96 39.14 1krv s TYR 192 CO 0.39 -0.37 0.61 2.48 -1.11 0.00 0.00 175.55 177.55 1krv n TYR 193 N 5.26 0.86 -3.63 2.71 0.18 -0.53 -4.45 117.16 117.56 1krv n TYR 193 Ca -0.11 0.31 -0.04 0.00 1.88 0.00 0.00 57.90 59.94 1krv n TYR 193 Cb 0.50 -1.14 -0.06 0.00 -0.38 0.00 0.00 39.34 38.26 1krv n TYR 193 CO 0.00 0.00 0.00 0.12 -2.08 0.00 0.00 176.86 174.90 1krv s PHE 194 N -2.65 -1.12 0.00 -3.48 5.36 -1.25 -5.03 117.98 109.81 1krv s PHE 194 Ca -0.05 1.96 0.00 0.00 -0.96 0.00 0.00 56.93 57.88 1krv s PHE 194 Cb 0.08 0.58 0.00 0.00 -0.34 0.00 0.00 43.02 43.34 1krv s PHE 194 CO 0.82 -0.60 0.00 1.63 -1.46 0.00 0.00 175.22 175.61 1krv n LYS 195 N 5.42 0.00 -1.05 10.12 4.01 -1.26 -0.90 118.16 134.50 1krv n LYS 195 Ca -0.10 0.00 -0.14 0.00 -0.51 0.00 0.00 58.31 57.56 1krv n LYS 195 Cb 0.49 0.00 0.21 0.00 -0.51 0.00 0.00 35.03 35.23 1krv n LYS 195 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1krv n ASP 196 N 8.34 3.66 -4.54 4.39 5.75 -1.26 -4.95 116.55 127.94 1krv n ASP 196 Ca 0.00 -3.55 -0.37 0.00 -0.01 0.00 0.00 54.79 50.85 1krv n ASP 196 Cb 0.00 -0.76 -0.12 0.00 -1.03 0.00 0.00 41.12 39.22 1krv n ASP 196 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1krv s TYR 197 N -3.21 3.17 0.48 2.11 1.51 -0.08 -5.07 117.35 116.27 1krv s TYR 197 Ca 0.53 -0.09 0.04 0.00 -1.01 0.00 0.00 57.07 56.54 1krv s TYR 197 Cb 0.45 -2.31 0.02 0.00 -0.11 0.00 0.00 41.96 40.01 1krv s TYR 197 CO 0.09 -0.22 0.68 -1.59 -1.11 0.00 0.00 175.55 173.39 1krv s LYS 198 N 1.64 2.71 -0.22 -0.62 0.00 -1.26 -1.46 119.74 120.54 1krv s LYS 198 Ca 0.07 -0.95 -0.04 0.00 0.00 0.00 0.00 55.97 55.05 1krv s LYS 198 Cb -0.15 -2.61 0.07 0.00 0.00 0.00 0.00 37.83 35.14 1krv s LYS 198 CO 0.08 -0.48 0.08 0.54 0.00 0.00 0.00 175.35 175.57 1krv s VAL 199 N -2.57 0.17 0.19 1.79 0.11 -0.19 -4.83 120.40 115.07 1krv s VAL 199 Ca 0.55 -0.51 -0.32 0.00 -2.93 0.00 0.00 61.98 58.77 1krv s VAL 199 Cb -0.10 -0.89 -0.11 0.00 -1.53 0.00 0.00 36.38 33.75 1krv s VAL 199 CO 0.36 -0.39 1.70 -0.70 -3.33 0.00 0.00 175.10 172.73 1krv s GLU 200 N 2.01 4.15 0.00 1.54 -6.30 -1.26 -4.87 118.70 113.96 1krv s GLU 200 Ca 0.03 2.54 0.00 0.00 -2.50 0.00 0.00 54.97 55.05 1krv s GLU 200 Cb -0.16 -3.16 0.00 0.00 0.00 0.00 0.00 34.13 30.81 1krv s GLU 200 CO -0.16 -0.73 0.00 0.43 0.02 0.00 0.00 175.26 174.82 1krv n SER 201 N 4.20 0.00 -0.60 -1.70 7.64 -1.26 -5.22 113.62 116.68 1krv n SER 201 Ca 0.16 0.00 0.08 0.00 1.01 0.00 0.00 58.87 60.11 1krv n SER 201 Cb 0.36 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.63 1krv n SER 201 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49