#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kru s MET 3 N 0.00 3.00 0.08 3.52 -2.45 -1.26 -4.89 119.30 117.30 1kru s MET 3 Ca 0.00 1.21 -0.37 0.00 -1.25 0.00 0.00 55.69 55.28 1kru s MET 3 Cb 0.00 -1.99 -0.17 0.00 1.25 0.00 0.00 34.83 33.92 1kru s MET 3 CO 0.00 -1.07 1.25 -2.30 1.05 0.00 0.00 175.02 173.95 1kru n PRO 4 N -2.47 0.88 -0.27 4.11 -0.02 -1.26 -4.75 135.00 131.22 1kru n PRO 4 Ca 0.09 0.32 0.08 0.00 -2.02 0.00 0.00 63.50 61.97 1kru n PRO 4 Cb 0.53 -1.90 0.23 0.00 -0.02 0.00 0.00 33.50 32.33 1kru n PRO 4 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1kru h MET 5 N 4.03 0.31 -0.36 -0.52 2.86 -1.93 -0.63 114.93 118.70 1kru h MET 5 Ca -0.48 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.09 1kru h MET 5 Cb 1.36 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.93 1kru h MET 5 CO 0.74 0.21 -0.03 1.79 1.06 0.00 0.00 176.91 180.68 1kru h THR 6 N 0.32 1.21 -0.36 2.22 1.35 -1.93 -1.69 112.91 114.03 1kru h THR 6 Ca 0.47 -0.88 -0.04 0.00 -0.55 0.00 0.00 66.41 65.42 1kru h THR 6 Cb 0.84 0.97 -0.02 0.00 -1.73 0.00 0.00 68.15 68.21 1kru h THR 6 CO -0.52 0.30 0.07 -0.08 -0.25 0.00 0.00 175.52 175.04 1kru h GLU 7 N 0.54 0.53 -0.09 4.72 4.81 -1.46 -2.35 114.58 121.29 1kru h GLU 7 Ca 0.11 -0.09 -0.18 0.00 -0.13 0.00 0.00 59.36 59.07 1kru h GLU 7 Cb 0.39 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1kru h GLU 7 CO 0.02 0.51 -0.71 0.00 -0.73 0.00 0.00 179.01 178.10 1kru h ARG 8 N 0.52 0.41 -0.20 1.92 3.08 -0.89 -2.98 114.38 116.23 1kru h ARG 8 Ca 0.12 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 59.85 1kru h ARG 8 Cb 0.23 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1kru h ARG 8 CO -0.00 0.96 0.11 0.82 -1.07 0.00 0.00 179.97 180.79 1kru h ILE 9 N 0.28 1.09 0.00 2.04 2.04 -0.87 -1.27 117.51 120.82 1kru h ILE 9 Ca -0.03 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1kru h ILE 9 Cb 1.28 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 38.26 1kru h ILE 9 CO 0.12 0.09 -0.07 0.03 0.00 0.00 0.00 178.15 178.32 1kru h ARG 10 N 0.22 0.00 0.00 2.37 -0.00 -1.50 -2.88 114.38 112.59 1kru h ARG 10 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.55 1kru h ARG 10 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.02 1kru h ARG 10 CO -0.01 0.07 -1.05 0.00 0.00 0.00 0.00 179.97 178.98 1kru n ALA 11 N -2.21 3.13 -0.90 0.04 0.00 -0.82 -4.97 120.51 114.78 1kru n ALA 11 Ca -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1kru n ALA 11 Cb 0.21 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1kru n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kru n GLY 12 N 1.32 0.79 3.95 0.00 0.00 -0.58 -5.07 105.19 105.60 1kru n GLY 12 Ca 0.01 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 1kru n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kru s LYS 13 N -1.99 3.46 0.59 1.61 1.02 -0.61 -4.89 119.74 118.93 1kru s LYS 13 Ca 0.00 -0.56 -0.19 0.00 0.02 0.00 0.00 55.97 55.24 1kru s LYS 13 Cb 0.00 -2.89 -0.04 0.00 -0.52 0.00 0.00 37.83 34.38 1kru s LYS 13 CO 0.00 0.44 1.22 -0.51 -0.92 0.00 0.00 175.35 175.58 1kru s LEU 14 N -3.53 3.69 0.00 3.17 1.43 -1.26 -4.50 118.68 117.67 1kru s LEU 14 Ca 0.36 2.43 -0.14 0.00 -1.03 0.00 0.00 54.13 55.75 1kru s LEU 14 Cb -0.10 -4.57 0.05 0.00 0.03 0.00 0.00 46.19 41.60 1kru s LEU 14 CO 0.29 -1.60 0.72 2.22 0.23 0.00 0.00 176.35 178.21 1kru n PHE 15 N -1.53 -1.84 -4.20 0.29 1.16 -0.80 -4.92 117.46 105.62 1kru n PHE 15 Ca 0.13 -1.38 -0.12 0.00 -1.87 0.00 0.00 57.45 54.22 1kru n PHE 15 Cb 0.49 0.68 -0.10 0.00 -1.61 0.00 0.00 39.48 38.95 1kru n PHE 15 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1kru s THR 16 N -2.22 0.35 -0.35 1.97 -4.23 -1.26 -1.33 115.64 108.57 1kru s THR 16 Ca 0.15 -1.95 0.12 0.00 -1.18 0.00 0.00 61.69 58.83 1kru s THR 16 Cb -0.04 -2.13 0.45 0.00 1.34 0.00 0.00 72.50 72.12 1kru s THR 16 CO 0.08 -0.42 1.08 -0.90 -0.54 0.00 0.00 174.62 173.92 1kru n ASP 17 N -0.18 3.38 -1.61 3.99 5.75 -1.26 -4.80 116.55 121.81 1kru n ASP 17 Ca -0.05 -3.20 -0.14 0.00 -0.01 0.00 0.00 54.79 51.39 1kru n ASP 17 Cb 0.64 -0.46 0.17 0.00 -1.03 0.00 0.00 41.12 40.43 1kru n ASP 17 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1kru n MET 18 N -0.42 2.16 -2.63 0.11 2.81 -1.26 -4.02 117.12 113.87 1kru n MET 18 Ca 0.27 -3.25 -0.06 0.00 -1.81 0.00 0.00 57.70 52.85 1kru n MET 18 Cb 0.78 -1.99 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 1kru n MET 18 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1kru n GLU 20 N -0.29 -1.40 -0.96 0.00 1.02 -1.26 -1.04 120.64 116.70 1kru n GLU 20 Ca -0.03 0.88 0.00 0.00 -0.02 0.00 0.00 57.16 57.99 1kru n GLU 20 Cb 0.31 -5.19 0.00 0.00 -0.02 0.00 0.00 31.44 26.54 1kru n GLU 20 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kru n GLY 21 N -0.34 0.48 0.09 0.62 0.00 -1.26 -4.94 105.19 99.84 1kru n GLY 21 Ca -0.15 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 1kru n GLY 21 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1kru h LEU 22 N 0.00 0.16 -1.74 0.99 3.38 -1.38 -2.58 115.31 114.15 1kru h LEU 22 Ca 0.00 -0.42 0.24 0.00 0.09 0.00 0.00 57.88 57.79 1kru h LEU 22 Cb 0.00 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1kru h LEU 22 CO 0.00 0.55 0.63 -0.65 0.09 0.00 0.00 178.44 179.06 1kru h PRO 23 N -0.23 0.20 0.00 1.13 0.11 -1.77 0.17 132.00 131.60 1kru h PRO 23 Ca 0.02 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 1kru h PRO 23 Cb 0.49 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 1kru h PRO 23 CO 0.01 0.13 -0.50 1.05 -0.21 0.00 0.00 178.00 178.48 1kru h GLU 24 N 0.20 0.00 0.00 1.05 9.09 -1.92 -2.72 114.58 120.29 1kru h GLU 24 Ca 0.46 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.76 1kru h GLU 24 Cb 1.48 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.57 1kru h GLU 24 CO -0.11 0.14 -0.54 -0.22 0.05 0.00 0.00 179.01 178.34 1kru h LYS 25 N 0.00 0.00 0.02 1.06 3.64 -0.29 -1.81 116.57 119.19 1kru h LYS 25 Ca -0.02 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.15 1kru h LYS 25 Cb 1.15 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 1kru h LYS 25 CO 0.02 0.54 -0.95 0.00 -2.27 0.00 0.00 179.45 176.79 1kru h ARG 26 N 0.00 0.21 -0.16 1.90 3.08 -1.32 -2.54 114.38 115.55 1kru h ARG 26 Ca -0.01 -0.26 -0.16 0.00 0.07 0.00 0.00 59.98 59.63 1kru h ARG 26 Cb 1.13 0.08 0.01 0.00 0.08 0.00 0.00 29.97 31.27 1kru h ARG 26 CO 0.07 1.01 -0.53 1.25 -1.07 0.00 0.00 179.97 180.70 1kru h LEU 27 N 0.10 0.74 -1.50 3.04 5.85 -1.31 0.68 115.31 122.91 1kru h LEU 27 Ca -0.06 -0.60 -0.00 0.00 0.84 0.00 0.00 57.88 58.06 1kru h LEU 27 Cb 1.61 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.40 1kru h LEU 27 CO 0.15 1.21 0.25 -0.09 -0.34 0.00 0.00 178.44 179.62 1kru h ARG 28 N 0.31 0.59 0.18 1.25 2.43 -1.37 -2.13 114.38 115.64 1kru h ARG 28 Ca -0.02 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1kru h ARG 28 Cb 1.15 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 1kru h ARG 28 CO 0.11 0.42 -0.09 0.78 -1.51 0.00 0.00 179.97 179.69 1kru h GLY 29 N 0.65 -0.26 2.00 2.80 0.00 -1.10 -2.98 103.07 104.18 1kru h GLY 29 Ca 0.16 0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 1kru h GLY 29 CO -0.03 -0.09 -0.04 0.50 0.00 0.00 0.00 176.54 176.88 1kru h LYS 30 N -0.77 0.00 0.38 4.80 1.79 -0.80 -1.35 116.57 120.62 1kru h LYS 30 Ca -0.03 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.43 1kru h LYS 30 Cb 0.51 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1kru h LYS 30 CO 0.04 0.04 -0.18 1.15 -1.08 0.00 0.00 179.45 179.41 1kru h THR 31 N 0.00 0.45 -0.95 -0.16 2.02 -1.39 0.20 112.91 113.09 1kru h THR 31 Ca -0.00 -0.63 0.05 0.00 0.77 0.00 0.00 66.41 66.60 1kru h THR 31 Cb 0.12 0.69 -0.06 0.00 -1.74 0.00 0.00 68.15 67.16 1kru h THR 31 CO 0.00 0.09 0.61 -0.07 0.37 0.00 0.00 175.52 176.53 1kru h LEU 32 N -0.95 1.00 -0.10 2.58 4.07 -1.32 -1.66 115.31 118.94 1kru h LEU 32 Ca -0.05 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.91 1kru h LEU 32 Cb 0.54 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 42.06 1kru h LEU 32 CO 0.09 0.66 0.05 -0.03 -1.08 0.00 0.00 178.44 178.13 1kru h MET 33 N 1.15 0.14 -0.96 1.13 1.85 -1.23 -1.50 114.93 115.51 1kru h MET 33 Ca 0.40 -0.02 0.11 0.00 -0.61 0.00 0.00 59.70 59.58 1kru h MET 33 Cb 0.09 -0.03 -0.07 0.00 0.43 0.00 0.00 31.60 32.02 1kru h MET 33 CO -0.15 0.17 0.61 -0.92 -0.40 0.00 0.00 176.91 176.22 1kru h TYR 34 N 0.07 1.06 -0.59 1.39 3.20 0.10 0.67 116.97 122.87 1kru h TYR 34 Ca 0.03 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.83 1kru h TYR 34 Cb 0.07 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 37.98 1kru h TYR 34 CO -0.05 0.46 -0.03 0.93 -1.64 0.00 0.00 178.16 177.83 1kru h GLU 35 N 0.96 1.07 -0.33 1.82 5.08 -0.94 -2.07 114.58 120.17 1kru h GLU 35 Ca 0.45 -0.36 -0.11 0.00 -1.00 0.00 0.00 59.36 58.34 1kru h GLU 35 Cb 0.43 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1kru h GLU 35 CO -0.21 1.06 -0.23 0.35 -1.00 0.00 0.00 179.01 178.98 1kru h PHE 36 N 0.97 0.86 0.00 4.33 3.57 -0.14 -2.17 116.94 124.37 1kru h PHE 36 Ca 0.16 -0.24 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 1kru h PHE 36 Cb 0.60 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 1kru h PHE 36 CO 0.04 0.98 -0.11 -0.91 -2.23 0.00 0.00 178.31 176.09 1kru h ASN 37 N 0.50 0.00 -0.02 0.41 -0.26 -0.87 -3.06 115.58 112.29 1kru h ASN 37 Ca 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 1kru h ASN 37 Cb 0.79 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.05 1kru h ASN 37 CO 0.06 0.11 -0.41 1.41 -1.06 0.00 0.00 177.43 177.54 1kru n HIS 38 N -3.26 0.00 -1.69 1.19 8.25 -0.79 -4.87 115.22 114.06 1kru n HIS 38 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 1kru n HIS 38 Cb 0.36 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.53 1kru n HIS 38 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1kru s SER 39 N -2.35 4.76 0.24 0.41 1.04 -0.82 -4.99 113.70 111.98 1kru s SER 39 Ca 0.19 2.22 -0.29 0.00 0.48 0.00 0.00 55.95 58.55 1kru s SER 39 Cb 0.18 -2.58 -0.09 0.00 0.10 0.00 0.00 66.02 63.63 1kru s SER 39 CO 0.52 -1.87 0.92 -2.28 0.98 0.00 0.00 173.24 171.51 1kru s HIS 40 N -2.04 3.97 0.24 5.02 2.46 -1.26 -4.90 115.29 118.77 1kru s HIS 40 Ca 0.72 1.88 0.21 0.00 0.47 0.00 0.00 55.06 58.34 1kru s HIS 40 Cb -0.26 -2.96 1.12 0.00 -0.13 0.00 0.00 32.58 30.35 1kru s HIS 40 CO 0.41 0.45 1.58 -1.00 -2.47 0.00 0.00 174.74 173.71 1kru h PRO 41 N 4.11 0.00 0.00 2.88 0.13 -1.99 0.43 132.00 137.57 1kru h PRO 41 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1kru h PRO 41 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1kru h PRO 41 CO 0.68 0.00 -0.61 0.66 -0.23 0.00 0.00 178.00 178.50 1kru h SER 42 N 0.00 0.00 -0.59 1.44 4.64 -2.03 -3.38 113.55 113.63 1kru h SER 42 Ca 0.00 -0.19 -0.51 0.00 -0.47 0.00 0.00 61.79 60.62 1kru h SER 42 Cb 0.55 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.54 1kru h SER 42 CO 0.00 0.10 1.35 -0.62 -0.87 0.00 0.00 176.83 176.78 1kru n GLU 43 N -2.15 3.07 -0.32 4.77 1.02 0.15 -4.70 120.64 122.48 1kru n GLU 43 Ca 0.03 -2.22 0.15 0.00 -0.02 0.00 0.00 57.16 55.10 1kru n GLU 43 Cb 0.44 -2.35 0.38 0.00 -0.02 0.00 0.00 31.44 29.90 1kru n GLU 43 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1kru h VAL 44 N 2.34 0.70 -0.14 2.62 2.07 -1.79 -1.29 116.25 120.75 1kru h VAL 44 Ca 0.51 -0.22 -0.18 0.00 0.82 0.00 0.00 66.70 67.62 1kru h VAL 44 Cb 0.75 -0.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1kru h VAL 44 CO 1.02 0.12 -0.62 -0.33 0.02 0.00 0.00 177.57 177.78 1kru h GLU 45 N 0.65 0.67 -0.22 1.57 3.07 -1.97 -1.28 114.58 117.07 1kru h GLU 45 Ca 0.55 -0.53 -0.06 0.00 -0.50 0.00 0.00 59.36 58.81 1kru h GLU 45 Cb 0.99 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 29.00 1kru h GLU 45 CO -0.31 1.15 -0.13 -0.22 -1.40 0.00 0.00 179.01 178.10 1kru h LYS 46 N 0.34 0.37 0.12 2.33 3.64 -1.79 -1.92 116.57 119.66 1kru h LYS 46 Ca -0.04 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1kru h LYS 46 Cb 1.26 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1kru h LYS 46 CO 0.13 0.50 -0.06 0.00 -2.27 0.00 0.00 179.45 177.75 1kru h ARG 47 N 0.34 -0.16 -0.74 1.90 3.08 -1.22 -1.38 114.38 116.21 1kru h ARG 47 Ca 0.07 0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.25 1kru h ARG 47 Cb 0.44 0.04 -0.09 0.00 0.08 0.00 0.00 29.97 30.44 1kru h ARG 47 CO 0.03 0.29 0.33 0.93 -1.07 0.00 0.00 179.97 180.47 1kru h GLU 48 N -0.71 0.49 0.00 0.04 5.08 -1.08 -0.44 114.58 117.95 1kru h GLU 48 Ca -0.02 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1kru h GLU 48 Cb 0.53 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1kru h GLU 48 CO 0.03 0.32 -0.20 1.03 -1.00 0.00 0.00 179.01 179.19 1kru h SER 49 N 0.51 0.00 0.11 1.42 0.87 -1.40 -3.26 113.55 111.79 1kru h SER 49 Ca 0.39 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.77 1kru h SER 49 Cb 0.54 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1kru h SER 49 CO -0.35 0.20 -0.69 -0.07 -0.53 0.00 0.00 176.83 175.39 1kru h LEU 50 N 0.00 0.62 -1.11 2.23 3.38 0.08 -3.05 115.31 117.46 1kru h LEU 50 Ca -0.00 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.53 1kru h LEU 50 Cb 1.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1kru h LEU 50 CO 0.03 1.13 -0.27 -0.29 0.09 0.00 0.00 178.44 179.13 1kru h ILE 51 N 0.38 0.68 0.00 1.22 2.10 -1.43 0.18 117.51 120.64 1kru h ILE 51 Ca -0.02 -1.22 -0.04 0.00 1.08 0.00 0.00 64.86 64.66 1kru h ILE 51 Cb 1.27 1.79 -0.01 0.00 -1.09 0.00 0.00 36.82 38.78 1kru h ILE 51 CO 0.13 0.26 -0.20 0.11 -1.08 0.00 0.00 178.15 177.37 1kru h LYS 52 N 0.00 0.00 0.08 2.19 1.57 -1.60 -2.81 116.57 115.99 1kru h LYS 52 Ca -0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.53 1kru h LYS 52 Cb 0.77 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 1kru h LYS 52 CO 0.04 0.20 -1.27 1.49 -0.57 0.00 0.00 179.45 179.34 1kru h GLU 53 N 0.00 0.17 0.06 3.15 4.81 -1.25 -3.40 114.58 118.12 1kru h GLU 53 Ca -0.00 -0.28 0.03 0.00 -0.13 0.00 0.00 59.36 58.97 1kru h GLU 53 Cb 0.92 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.36 1kru h GLU 53 CO 0.03 1.14 -0.29 0.52 -0.73 0.00 0.00 179.01 179.67 1kru h MET 54 N -0.51 -0.46 -6.30 1.92 2.86 -0.66 -3.44 114.93 108.34 1kru h MET 54 Ca -0.29 0.03 -0.55 0.00 -2.06 0.00 0.00 59.70 56.83 1kru h MET 54 Cb 1.60 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 33.34 1kru h MET 54 CO -0.01 -0.30 -0.25 -0.06 1.06 0.00 0.00 176.91 177.35 1kru s PHE 55 N -6.03 3.47 0.10 -0.22 2.99 -1.07 -2.95 117.98 114.28 1kru s PHE 55 Ca -0.16 0.56 -0.30 0.00 0.00 0.00 0.00 56.93 57.04 1kru s PHE 55 Cb 0.08 -2.02 -0.11 0.00 0.00 0.00 0.00 43.02 40.97 1kru s PHE 55 CO 0.65 0.33 1.61 0.00 -0.00 0.00 0.00 175.22 177.81 1kru h ALA 56 N 2.26 -0.65 -3.71 5.36 0.00 -1.41 -3.43 119.26 117.67 1kru h ALA 56 Ca -0.47 -0.08 -0.37 0.00 0.00 0.00 0.00 54.91 53.99 1kru h ALA 56 Cb 1.18 0.53 -0.31 0.00 0.00 0.00 0.00 17.79 19.19 1kru h ALA 56 CO 0.69 -0.92 -0.76 0.99 0.00 0.00 0.00 179.25 179.25 1kru s THR 57 N -6.00 0.47 -0.04 0.00 2.01 -1.18 -5.02 115.64 105.88 1kru s THR 57 Ca -0.16 -0.17 0.01 0.00 0.31 0.00 0.00 61.69 61.68 1kru s THR 57 Cb 0.07 -0.45 0.02 0.00 0.01 0.00 0.00 72.50 72.15 1kru s THR 57 CO 0.64 0.17 -0.04 -0.69 -0.69 0.00 0.00 174.62 174.01 1kru s VAL 58 N 0.38 0.51 0.75 3.82 1.01 -1.25 -0.16 120.40 125.46 1kru s VAL 58 Ca -0.05 -0.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.71 1kru s VAL 58 Cb -0.08 -0.54 0.05 0.00 0.00 0.00 0.00 36.38 35.81 1kru s VAL 58 CO -0.00 0.22 1.12 -0.83 0.00 0.00 0.00 175.10 175.61 1kru s GLY 59 N 0.87 1.61 0.48 4.51 0.00 -0.10 -4.97 107.32 109.71 1kru s GLY 59 Ca -0.12 -0.60 -0.22 0.00 0.00 0.00 0.00 44.72 43.79 1kru s GLY 59 CO 0.00 -0.16 1.16 -1.83 0.00 0.00 0.00 173.10 172.27 1kru s GLU 60 N -5.44 3.67 -0.43 2.90 1.03 -1.26 -3.78 118.70 115.39 1kru s GLU 60 Ca 0.60 1.76 -0.02 0.00 0.03 0.00 0.00 54.97 57.34 1kru s GLU 60 Cb -0.11 -2.33 0.00 0.00 -0.80 0.00 0.00 34.13 30.89 1kru s GLU 60 CO 0.49 -0.62 0.29 -1.71 -1.33 0.00 0.00 175.26 172.38 1kru n ASN 61 N -0.65 -3.15 -4.88 0.83 2.85 -1.26 -1.44 115.26 107.57 1kru n ASN 61 Ca 0.08 -0.13 -0.32 0.00 -0.11 0.00 0.00 54.58 54.10 1kru n ASN 61 Cb 0.48 -1.84 -0.05 0.00 1.24 0.00 0.00 39.78 39.61 1kru n ASN 61 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1kru s ALA 62 N -2.95 3.65 -0.05 5.20 0.00 -1.25 -3.20 121.76 123.15 1kru s ALA 62 Ca 0.14 -0.36 -0.04 0.00 0.00 0.00 0.00 51.96 51.70 1kru s ALA 62 Cb -0.06 -2.33 0.02 0.00 0.00 0.00 0.00 23.12 20.75 1kru s ALA 62 CO 0.18 0.56 0.13 -0.46 0.00 0.00 0.00 175.76 176.17 1kru s TRP 63 N -1.71 -0.14 -0.13 0.00 -0.11 -0.06 -4.91 118.94 111.87 1kru s TRP 63 Ca 0.44 0.38 -0.04 0.00 1.22 0.00 0.00 56.10 58.10 1kru s TRP 63 Cb -0.12 0.00 0.05 0.00 -1.50 0.00 0.00 33.47 31.90 1kru s TRP 63 CO 0.22 -0.10 0.07 0.08 -4.62 0.00 0.00 176.95 172.60 1kru s VAL 64 N 0.41 0.03 -0.15 5.86 1.01 -1.26 -2.23 120.40 124.06 1kru s VAL 64 Ca -0.03 -0.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.64 1kru s VAL 64 Cb -0.04 -0.51 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 1kru s VAL 64 CO -0.02 -0.09 1.19 -0.70 0.00 0.00 0.00 175.10 175.48 1kru s GLU 65 N 2.10 4.27 0.61 2.72 2.56 -0.47 -5.01 118.70 125.49 1kru s GLU 65 Ca 0.03 1.59 -0.17 0.00 0.00 0.00 0.00 54.97 56.41 1kru s GLU 65 Cb -0.15 -3.69 -0.02 0.00 2.00 0.00 0.00 34.13 32.27 1kru s GLU 65 CO -0.07 -0.62 1.16 -2.14 -0.56 0.00 0.00 175.26 173.03 1kru s PRO 66 N 3.11 2.94 0.35 4.30 0.02 -1.26 -4.17 135.00 140.29 1kru s PRO 66 Ca 0.52 1.63 -0.09 0.00 0.02 0.00 0.00 61.00 63.08 1kru s PRO 66 Cb -0.21 -1.95 -0.06 0.00 0.02 0.00 0.00 34.50 32.30 1kru s PRO 66 CO 0.14 -1.18 0.68 -1.25 -0.33 0.00 0.00 177.00 175.06 1kru s PRO 67 N -3.60 3.75 0.07 5.54 0.04 -1.26 -4.63 135.00 134.91 1kru s PRO 67 Ca 0.73 0.32 0.09 0.00 0.04 0.00 0.00 61.00 62.18 1kru s PRO 67 Cb -0.25 -2.49 -0.03 0.00 0.04 0.00 0.00 34.50 31.76 1kru s PRO 67 CO 0.35 0.08 -0.25 0.08 0.04 0.00 0.00 177.00 177.30 1kru s VAL 68 N -2.21 2.07 -0.01 -0.36 1.01 -1.26 -1.58 120.40 118.06 1kru s VAL 68 Ca 0.49 -1.49 0.02 0.00 0.00 0.00 0.00 61.98 61.00 1kru s VAL 68 Cb -0.10 -1.80 -0.00 0.00 0.00 0.00 0.00 36.38 34.47 1kru s VAL 68 CO 0.29 0.23 -0.07 -0.31 0.00 0.00 0.00 175.10 175.23 1kru s TYR 69 N -0.91 0.67 0.21 5.22 1.51 -0.37 -4.92 117.35 118.77 1kru s TYR 69 Ca 0.11 -0.13 -0.21 0.00 -1.01 0.00 0.00 57.07 55.83 1kru s TYR 69 Cb -0.10 -0.44 0.04 0.00 -0.11 0.00 0.00 41.96 41.35 1kru s TYR 69 CO 0.03 -0.02 0.63 -0.59 -1.11 0.00 0.00 175.55 174.49 1kru s PHE 70 N -0.12 -0.30 -0.13 2.71 -0.71 -1.26 -0.58 117.98 117.59 1kru s PHE 70 Ca 0.02 -0.03 -0.18 0.00 -1.04 0.00 0.00 56.93 55.70 1kru s PHE 70 Cb -0.03 0.58 -0.16 0.00 -1.21 0.00 0.00 43.02 42.19 1kru s PHE 70 CO -0.00 -1.02 0.48 0.77 -1.34 0.00 0.00 175.22 174.11 1kru h SER 71 N 2.05 0.00 -4.38 1.98 0.02 -1.86 -3.46 113.55 107.90 1kru h SER 71 Ca -0.27 -0.62 -0.40 0.00 -0.84 0.00 0.00 61.79 59.66 1kru h SER 71 Cb 1.28 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.58 1kru h SER 71 CO 0.32 0.82 -0.78 -0.31 -1.14 0.00 0.00 176.83 175.74 1kru s TYR 72 N -1.97 1.05 -0.11 3.45 1.51 -1.26 -4.59 117.35 115.43 1kru s TYR 72 Ca -0.12 -0.37 -0.27 0.00 -1.01 0.00 0.00 57.07 55.30 1kru s TYR 72 Cb -0.02 -0.62 -0.28 0.00 -0.11 0.00 0.00 41.96 40.93 1kru s TYR 72 CO 0.43 0.01 0.80 0.78 -1.11 0.00 0.00 175.55 176.47 1kru h GLY 73 N 4.88 0.10 0.00 0.71 0.00 -1.85 -3.37 103.07 103.54 1kru h GLY 73 Ca -0.37 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 46.70 1kru h GLY 73 CO 0.43 0.23 0.81 -1.14 0.00 0.00 0.00 176.54 176.86 1kru n SER 74 N -4.47 0.00 -0.78 0.19 3.41 -1.15 -1.78 113.62 109.04 1kru n SER 74 Ca -0.11 0.33 0.12 0.00 -0.26 0.00 0.00 58.87 58.95 1kru n SER 74 Cb 0.58 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.83 1kru n SER 74 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1kru n ASN 75 N -1.95 2.40 -4.58 4.04 3.02 -1.26 -3.94 115.26 112.99 1kru n ASN 75 Ca 0.00 -1.80 -0.35 0.00 -0.03 0.00 0.00 54.58 52.40 1kru n ASN 75 Cb 0.81 -0.06 -0.11 0.00 -0.61 0.00 0.00 39.78 39.81 1kru n ASN 75 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1kru s ILE 76 N -1.88 4.58 -0.09 2.41 1.01 -0.73 -1.74 121.20 124.75 1kru s ILE 76 Ca 0.34 -0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.91 1kru s ILE 76 Cb 0.20 -3.07 -0.02 0.00 0.01 0.00 0.00 42.46 39.59 1kru s ILE 76 CO 0.31 0.44 -0.17 -1.00 0.00 0.00 0.00 174.94 174.52 1kru s HIS 77 N 0.61 2.68 0.01 3.97 3.76 -0.20 -1.58 115.29 124.53 1kru s HIS 77 Ca 0.02 -0.58 0.03 0.00 -0.15 0.00 0.00 55.06 54.39 1kru s HIS 77 Cb -0.13 -1.72 -0.01 0.00 1.11 0.00 0.00 32.58 31.82 1kru s HIS 77 CO 0.02 -0.13 -0.10 0.42 -0.85 0.00 0.00 174.74 174.10 1kru s ILE 78 N -0.04 0.77 0.00 0.60 1.01 0.77 -1.58 121.20 122.72 1kru s ILE 78 Ca -0.04 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.02 1kru s ILE 78 Cb -0.14 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.65 1kru s ILE 78 CO 0.04 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.68 1kru n GLY 79 N 2.50 1.01 3.89 6.18 0.00 -0.90 -0.92 105.19 116.95 1kru n GLY 79 Ca -0.15 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.07 1kru n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kru s ARG 80 N 0.47 3.38 -1.02 1.61 0.52 -1.26 -1.20 118.95 121.45 1kru s ARG 80 Ca 0.00 0.45 -0.18 0.00 -0.52 0.00 0.00 55.73 55.48 1kru s ARG 80 Cb 0.00 -2.18 0.03 0.00 0.52 0.00 0.00 34.95 33.31 1kru s ARG 80 CO 0.00 -0.55 0.35 0.09 0.02 0.00 0.00 175.30 175.21 1kru n ASN 81 N -2.63 -1.84 -4.79 0.23 5.03 -0.52 -1.62 115.26 109.13 1kru n ASN 81 Ca 0.04 -1.00 -0.38 0.00 0.87 0.00 0.00 54.58 54.11 1kru n ASN 81 Cb 0.55 -1.21 -0.06 0.00 -1.02 0.00 0.00 39.78 38.04 1kru n ASN 81 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1kru s PHE 82 N -3.94 3.82 -0.12 3.10 5.36 -1.20 -4.04 117.98 120.97 1kru s PHE 82 Ca 0.25 1.48 -0.04 0.00 -0.96 0.00 0.00 56.93 57.67 1kru s PHE 82 Cb -0.14 -2.66 0.05 0.00 -0.34 0.00 0.00 43.02 39.93 1kru s PHE 82 CO 0.75 0.49 0.11 -0.47 -1.46 0.00 0.00 175.22 174.64 1kru s TYR 83 N -1.23 0.04 -0.09 10.12 5.04 -1.00 -0.88 117.35 129.35 1kru s TYR 83 Ca 0.36 0.07 0.03 0.00 -2.44 0.00 0.00 57.07 55.09 1kru s TYR 83 Cb -0.21 -0.52 0.01 0.00 0.35 0.00 0.00 41.96 41.59 1kru s TYR 83 CO 0.23 -0.38 -0.18 0.00 -1.34 0.00 0.00 175.55 173.87 1kru s ALA 84 N 2.19 1.79 0.97 3.97 0.00 -0.95 0.05 121.76 129.79 1kru s ALA 84 Ca 0.04 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1kru s ALA 84 Cb -0.14 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.23 1kru s ALA 84 CO -0.07 0.15 0.00 -1.71 0.00 0.00 0.00 175.76 174.13 1kru n ASN 85 N 3.77 0.00 -4.65 0.00 2.85 -0.57 -1.36 115.26 115.30 1kru n ASN 85 Ca -0.20 -0.12 -0.38 0.00 -0.11 0.00 0.00 54.58 53.77 1kru n ASN 85 Cb 0.52 0.00 0.05 0.00 1.24 0.00 0.00 39.78 41.59 1kru n ASN 85 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1kru n PHE 86 N -0.24 1.26 -3.95 1.20 3.01 -1.26 -4.01 117.46 113.47 1kru n PHE 86 Ca 0.00 0.44 -0.42 0.00 1.01 0.00 0.00 57.45 58.48 1kru n PHE 86 Cb 0.00 -2.20 0.03 0.00 -0.01 0.00 0.00 39.48 37.30 1kru n PHE 86 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1kru n ASN 87 N -0.91 -4.54 -4.81 4.37 3.02 -0.61 -0.80 115.26 110.99 1kru n ASN 87 Ca 0.13 -1.20 -0.38 0.00 -0.03 0.00 0.00 54.58 53.10 1kru n ASN 87 Cb 0.46 -2.16 -0.06 0.00 -0.61 0.00 0.00 39.78 37.41 1kru n ASN 87 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1kru s LEU 88 N -7.07 4.47 -0.10 3.41 2.96 -1.19 -3.34 118.68 117.82 1kru s LEU 88 Ca 0.47 1.41 -0.00 0.00 -0.22 0.00 0.00 54.13 55.78 1kru s LEU 88 Cb -0.23 -3.27 0.02 0.00 0.50 0.00 0.00 46.19 43.21 1kru s LEU 88 CO 0.94 0.16 -0.07 -0.89 -1.32 0.00 0.00 176.35 175.17 1kru s THR 89 N -1.29 0.95 -0.26 3.68 2.01 -0.36 -1.23 115.64 119.15 1kru s THR 89 Ca 0.36 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 62.12 1kru s THR 89 Cb -0.19 -0.97 0.06 0.00 0.01 0.00 0.00 72.50 71.41 1kru s THR 89 CO 0.22 0.35 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.80 1kru s ILE 90 N 1.58 1.87 -0.95 1.82 1.09 0.25 -0.31 121.20 126.55 1kru s ILE 90 Ca 0.02 -1.51 -0.19 0.00 -1.10 0.00 0.00 60.65 57.87 1kru s ILE 90 Cb -0.13 -2.09 0.13 0.00 -1.06 0.00 0.00 42.46 39.31 1kru s ILE 90 CO -0.06 -0.12 1.16 -0.69 -0.10 0.00 0.00 174.94 175.13 1kru s VAL 91 N 1.22 4.69 -1.02 2.92 1.01 0.77 -3.23 120.40 126.76 1kru s VAL 91 Ca -0.06 -1.57 -0.03 0.00 0.00 0.00 0.00 61.98 60.33 1kru s VAL 91 Cb -0.19 -4.81 0.30 0.00 0.00 0.00 0.00 36.38 31.68 1kru s VAL 91 CO -0.06 -1.54 1.43 -0.90 0.00 0.00 0.00 175.10 174.02 1kru n ASP 92 N 6.67 6.20 0.07 3.32 5.75 -1.26 -2.04 116.55 135.25 1kru n ASP 92 Ca 0.25 -3.44 0.10 0.00 -0.01 0.00 0.00 54.79 51.69 1kru n ASP 92 Cb 0.49 -1.19 0.42 0.00 -1.03 0.00 0.00 41.12 39.81 1kru n ASP 92 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1kru n ASP 93 N 1.14 0.39 -2.23 -1.12 8.00 -1.26 -4.40 116.55 117.07 1kru n ASP 93 Ca 0.28 0.59 -0.10 0.00 0.71 0.00 0.00 54.79 56.27 1kru n ASP 93 Cb 0.33 -0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 40.73 1kru n ASP 93 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kru n TYR 94 N -1.92 -0.80 -1.72 1.24 9.36 -1.26 -5.06 117.16 117.00 1kru n TYR 94 Ca 0.03 -1.49 -0.42 0.00 3.32 0.00 0.00 57.90 59.33 1kru n TYR 94 Cb 0.23 0.26 -0.01 0.00 -0.63 0.00 0.00 39.34 39.19 1kru n TYR 94 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1kru n THR 95 N -0.35 1.74 -3.75 2.97 -1.04 -1.26 -4.81 114.28 107.77 1kru n THR 95 Ca 0.02 -0.43 -0.22 0.00 -2.04 0.00 0.00 64.05 61.38 1kru n THR 95 Cb 0.35 -1.69 -0.18 0.00 -1.82 0.00 0.00 70.33 66.99 1kru n THR 95 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1kru s VAL 96 N -0.82 0.23 -0.11 12.58 1.01 -0.71 -2.67 120.40 129.90 1kru s VAL 96 Ca 0.58 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.79 1kru s VAL 96 Cb -0.55 -0.41 0.01 0.00 0.00 0.00 0.00 36.38 35.42 1kru s VAL 96 CO 0.59 0.23 -0.21 -0.89 0.00 0.00 0.00 175.10 174.82 1kru s THR 97 N 1.97 1.92 -0.07 3.92 2.01 -0.26 -1.04 115.64 124.10 1kru s THR 97 Ca 0.04 -0.92 0.05 0.00 0.31 0.00 0.00 61.69 61.18 1kru s THR 97 Cb -0.12 -1.69 -0.01 0.00 0.01 0.00 0.00 72.50 70.69 1kru s THR 97 CO -0.04 0.53 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.54 1kru s ILE 98 N 0.62 2.03 0.00 1.82 1.01 -0.62 -0.62 121.20 125.45 1kru s ILE 98 Ca -0.13 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.49 1kru s ILE 98 Cb -0.17 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.58 1kru s ILE 98 CO 0.03 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.14 1kru n GLY 99 N 3.15 -0.62 3.84 6.18 0.00 0.97 -2.11 105.19 116.60 1kru n GLY 99 Ca -0.18 -1.54 -0.34 0.00 0.00 0.00 0.00 46.02 43.96 1kru n GLY 99 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kru s ASP 100 N -1.11 6.82 -1.46 1.61 1.01 -1.26 -3.06 116.67 119.22 1kru s ASP 100 Ca 0.00 1.17 -0.04 0.00 0.71 0.00 0.00 52.55 54.39 1kru s ASP 100 Cb 0.00 -2.33 0.02 0.00 1.01 0.00 0.00 42.92 41.62 1kru s ASP 100 CO 0.00 -0.03 0.37 0.59 0.21 0.00 0.00 175.17 176.31 1kru n ASN 101 N 0.29 -5.21 -4.75 0.27 5.03 -0.64 0.71 115.26 110.97 1kru n ASN 101 Ca -0.01 -0.18 -0.40 0.00 0.87 0.00 0.00 54.58 54.86 1kru n ASN 101 Cb 0.52 -4.28 -0.05 0.00 -1.02 0.00 0.00 39.78 34.95 1kru n ASN 101 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1kru s VAL 102 N -3.01 4.61 -0.14 2.41 1.01 -1.26 -3.93 120.40 120.09 1kru s VAL 102 Ca 0.22 1.75 0.02 0.00 0.00 0.00 0.00 61.98 63.97 1kru s VAL 102 Cb -0.10 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.11 1kru s VAL 102 CO 0.27 0.38 -0.21 -0.22 0.00 0.00 0.00 175.10 175.32 1kru s LEU 103 N -0.23 2.19 -0.11 3.92 0.20 -0.43 -2.38 118.68 121.83 1kru s LEU 103 Ca 0.40 -0.57 0.03 0.00 0.69 0.00 0.00 54.13 54.68 1kru s LEU 103 Cb -0.22 -1.47 0.01 0.00 -0.43 0.00 0.00 46.19 44.08 1kru s LEU 103 CO 0.25 0.09 -0.21 -0.63 -0.29 0.00 0.00 176.35 175.56 1kru s ILE 104 N 0.74 1.91 1.00 6.68 1.01 0.11 -1.33 121.20 131.32 1kru s ILE 104 Ca -0.08 -0.91 -0.13 0.00 0.00 0.00 0.00 60.65 59.53 1kru s ILE 104 Cb -0.16 -1.68 0.19 0.00 0.01 0.00 0.00 42.46 40.82 1kru s ILE 104 CO -0.00 0.52 1.11 0.00 0.00 0.00 0.00 174.94 176.57 1kru s ALA 105 N 0.64 1.10 0.61 9.38 0.00 -0.32 -1.51 121.76 131.66 1kru s ALA 105 Ca -0.12 -0.46 -0.18 0.00 0.00 0.00 0.00 51.96 51.20 1kru s ALA 105 Cb -0.16 -3.08 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 1kru s ALA 105 CO 0.03 -2.77 1.17 -2.14 0.00 0.00 0.00 175.76 172.05 1kru s PRO 106 N -5.08 2.92 -1.09 0.00 0.02 -1.26 -4.11 135.00 126.40 1kru s PRO 106 Ca 0.65 1.70 -0.11 0.00 0.02 0.00 0.00 61.00 63.26 1kru s PRO 106 Cb -0.17 -1.94 -0.05 0.00 0.02 0.00 0.00 34.50 32.37 1kru s PRO 106 CO 0.56 -1.21 0.87 0.09 -0.33 0.00 0.00 177.00 176.98 1kru n ASN 107 N -1.81 -5.93 -4.57 2.53 3.02 0.02 -2.78 115.26 105.74 1kru n ASN 107 Ca 0.13 -0.82 -0.33 0.00 -0.03 0.00 0.00 54.58 53.53 1kru n ASN 107 Cb 0.50 -4.54 -0.11 0.00 -0.61 0.00 0.00 39.78 35.02 1kru n ASN 107 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1kru s VAL 108 N -3.42 3.57 -0.14 2.41 1.01 -1.21 -1.32 120.40 121.30 1kru s VAL 108 Ca 0.44 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1kru s VAL 108 Cb -0.10 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.81 1kru s VAL 108 CO 0.78 0.50 -0.12 -0.89 0.00 0.00 0.00 175.10 175.38 1kru s THR 109 N -0.88 1.41 -0.13 3.92 2.01 0.27 -1.22 115.64 121.01 1kru s THR 109 Ca 0.14 -0.54 -0.01 0.00 0.31 0.00 0.00 61.69 61.59 1kru s THR 109 Cb -0.11 -1.35 -0.02 0.00 0.01 0.00 0.00 72.50 71.03 1kru s THR 109 CO 0.04 0.42 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.54 1kru s LEU 110 N 1.55 2.98 -0.04 4.42 1.02 0.58 -0.93 118.68 128.26 1kru s LEU 110 Ca 0.05 -0.21 -0.02 0.00 0.02 0.00 0.00 54.13 53.97 1kru s LEU 110 Cb -0.13 -1.69 0.03 0.00 0.02 0.00 0.00 46.19 44.43 1kru s LEU 110 CO -0.10 0.19 0.06 -0.55 0.02 0.00 0.00 176.35 175.97 1kru s SER 111 N 0.20 0.80 0.17 2.29 0.15 -0.64 -0.16 113.70 116.51 1kru s SER 111 Ca -0.05 0.09 0.23 0.00 0.70 0.00 0.00 55.95 56.92 1kru s SER 111 Cb -0.15 -0.09 0.11 0.00 -1.71 0.00 0.00 66.02 64.19 1kru s SER 111 CO 0.04 -0.22 1.14 -0.37 1.20 0.00 0.00 173.24 175.03 1kru h VAL 112 N 6.39 0.00 -3.07 4.45 -1.51 -1.67 -1.66 116.25 119.18 1kru h VAL 112 Ca -0.22 -0.81 -0.60 0.00 -1.23 0.00 0.00 66.70 63.85 1kru h VAL 112 Cb 1.12 1.33 -0.04 0.00 -2.13 0.00 0.00 31.29 31.56 1kru h VAL 112 CO 0.24 0.00 -0.30 -0.89 -1.23 0.00 0.00 177.57 175.40 1kru s THR 113 N -3.29 5.16 0.27 7.19 2.01 -1.26 -1.20 115.64 124.53 1kru s THR 113 Ca 0.02 0.29 -0.07 0.00 0.31 0.00 0.00 61.69 62.24 1kru s THR 113 Cb 0.11 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 68.99 1kru s THR 113 CO 0.77 0.25 0.41 -0.83 -0.69 0.00 0.00 174.62 174.53 1kru s GLY 114 N -1.89 1.06 0.14 4.40 0.00 -0.69 -4.74 107.32 105.60 1kru s GLY 114 Ca 0.33 -1.27 0.09 0.00 0.00 0.00 0.00 44.72 43.87 1kru s GLY 114 CO 0.19 -0.91 -0.20 0.30 0.00 0.00 0.00 173.10 172.48 1kru s HIS 115 N -3.69 1.85 0.46 1.90 3.76 -1.26 -1.82 115.29 116.49 1kru s HIS 115 Ca 0.29 -0.44 -0.25 0.00 -0.15 0.00 0.00 55.06 54.51 1kru s HIS 115 Cb 0.01 -0.97 -0.08 0.00 1.11 0.00 0.00 32.58 32.65 1kru s HIS 115 CO 0.14 0.29 1.36 -2.30 -0.85 0.00 0.00 174.74 173.38 1kru n PRO 116 N 0.65 2.05 -0.11 8.40 -0.02 -1.26 -4.90 135.00 139.81 1kru n PRO 116 Ca -0.16 0.73 -0.12 0.00 -2.02 0.00 0.00 63.50 61.93 1kru n PRO 116 Cb 0.55 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.47 1kru n PRO 116 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1kru h VAL 117 N 2.09 1.29 -2.79 -1.45 2.07 -1.99 -3.43 116.25 112.05 1kru h VAL 117 Ca -0.50 -1.36 -0.56 0.00 0.82 0.00 0.00 66.70 65.11 1kru h VAL 117 Cb 1.28 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.49 1kru h VAL 117 CO 0.60 0.44 1.01 -2.28 0.02 0.00 0.00 177.57 177.36 1kru s HIS 118 N -4.51 2.41 0.60 1.57 5.65 -1.26 -4.87 115.29 114.88 1kru s HIS 118 Ca -0.12 0.63 0.29 0.00 0.25 0.00 0.00 55.06 56.10 1kru s HIS 118 Cb 0.09 -3.74 1.49 0.00 -1.18 0.00 0.00 32.58 29.23 1kru s HIS 118 CO 0.82 -2.69 1.89 1.12 -0.65 0.00 0.00 174.74 175.24 1kru h HIS 119 N 9.09 0.00 0.00 3.88 -0.00 -1.98 0.12 115.15 126.26 1kru h HIS 119 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.05 1kru h HIS 119 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.55 1kru h HIS 119 CO 0.85 0.00 0.00 1.49 -0.00 0.00 0.00 177.93 180.27 1kru h GLU 120 N 0.00 0.00 -0.01 5.12 4.81 -1.95 -2.96 114.58 119.59 1kru h GLU 120 Ca 0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1kru h GLU 120 Cb 1.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1kru h GLU 120 CO -0.00 0.00 -0.09 1.28 -0.73 0.00 0.00 179.01 179.47 1kru n LEU 121 N -2.95 1.46 -0.95 1.64 4.32 0.43 -4.19 117.00 116.75 1kru n LEU 121 Ca 0.02 -0.47 0.05 0.00 -0.02 0.00 0.00 56.01 55.59 1kru n LEU 121 Cb 0.36 -0.04 0.09 0.00 -1.62 0.00 0.00 43.42 42.21 1kru n LEU 121 CO 0.28 0.25 0.23 -2.11 -1.22 0.00 0.00 177.39 174.82 1kru n ARG 122 N -0.01 0.62 -0.35 3.23 1.85 -1.12 -4.39 116.66 116.49 1kru n ARG 122 Ca 0.16 -2.33 0.11 0.00 -1.00 0.00 0.00 57.85 54.79 1kru n ARG 122 Cb 0.37 -0.71 0.30 0.00 -1.05 0.00 0.00 32.46 31.37 1kru n ARG 122 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 1kru h LYS 123 N 0.78 0.77 -0.64 2.89 1.57 -1.72 -1.54 116.57 118.68 1kru h LYS 123 Ca -0.11 -0.05 -0.33 0.00 -1.87 0.00 0.00 60.65 58.30 1kru h LYS 123 Cb 1.47 -0.17 -0.20 0.00 0.08 0.00 0.00 32.23 33.41 1kru h LYS 123 CO 0.05 0.51 0.24 0.09 -0.57 0.00 0.00 179.45 179.77 1kru n ASN 124 N -4.75 3.03 -2.12 0.86 4.13 -1.26 -4.92 115.26 110.23 1kru n ASN 124 Ca 0.22 -3.71 -0.12 0.00 1.68 0.00 0.00 54.58 52.64 1kru n ASN 124 Cb 0.52 -0.73 0.04 0.00 -1.54 0.00 0.00 39.78 38.08 1kru n ASN 124 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1kru n GLY 125 N -1.13 0.17 3.77 7.41 0.00 -0.58 -4.95 105.19 109.88 1kru n GLY 125 Ca 0.45 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 1kru n GLY 125 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1kru s GLU 126 N -5.67 4.24 0.15 1.61 8.01 -1.26 -4.73 118.70 121.05 1kru s GLU 126 Ca 0.30 2.37 -0.04 0.00 0.01 0.00 0.00 54.97 57.62 1kru s GLU 126 Cb -0.13 -3.04 -0.03 0.00 -4.31 0.00 0.00 34.13 26.62 1kru s GLU 126 CO 0.38 -0.36 0.15 0.00 0.01 0.00 0.00 175.26 175.44 1kru s MET 127 N -1.68 1.03 0.05 1.61 0.23 -0.44 -4.32 119.30 115.79 1kru s MET 127 Ca 0.52 -1.33 0.03 0.00 -1.03 0.00 0.00 55.69 53.88 1kru s MET 127 Cb -0.43 0.30 -0.03 0.00 -1.53 0.00 0.00 34.83 33.14 1kru s MET 127 CO 0.55 -0.33 -0.10 1.52 -2.03 0.00 0.00 175.02 174.63 1kru s TYR 128 N -4.02 0.86 -0.03 3.16 -0.85 -0.76 -1.91 117.35 113.81 1kru s TYR 128 Ca 0.22 -0.50 0.02 0.00 -0.52 0.00 0.00 57.07 56.28 1kru s TYR 128 Cb 0.06 -0.50 0.01 0.00 0.38 0.00 0.00 41.96 41.91 1kru s TYR 128 CO 0.01 -0.04 -0.06 -1.12 -1.52 0.00 0.00 175.55 172.83 1kru s SER 129 N -1.70 0.98 -0.08 -0.18 0.01 -1.26 -1.71 113.70 109.76 1kru s SER 129 Ca -0.06 -0.14 -0.02 0.00 1.31 0.00 0.00 55.95 57.04 1kru s SER 129 Cb -0.09 -0.38 0.03 0.00 0.21 0.00 0.00 66.02 65.79 1kru s SER 129 CO 0.01 -0.00 0.01 -0.36 0.41 0.00 0.00 173.24 173.31 1kru s PHE 130 N 0.57 0.63 0.59 2.43 0.40 -0.34 -4.60 117.98 117.66 1kru s PHE 130 Ca -0.08 -0.19 -0.18 0.00 -0.60 0.00 0.00 56.93 55.88 1kru s PHE 130 Cb -0.11 -0.79 -0.13 0.00 0.51 0.00 0.00 43.02 42.50 1kru s PHE 130 CO 0.00 -0.35 0.01 -2.30 0.70 0.00 0.00 175.22 173.29 1kru n PRO 131 N 5.16 0.14 -4.28 0.24 -0.02 -1.26 -1.53 135.00 133.44 1kru n PRO 131 Ca -0.07 0.06 -0.31 0.00 -2.02 0.00 0.00 63.50 61.16 1kru n PRO 131 Cb 0.50 -1.23 -0.16 0.00 -0.02 0.00 0.00 33.50 32.58 1kru n PRO 131 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1kru s ILE 132 N -1.93 1.76 -0.22 4.25 1.01 -1.09 -2.94 121.20 122.04 1kru s ILE 132 Ca 0.59 -0.77 -0.04 0.00 0.00 0.00 0.00 60.65 60.42 1kru s ILE 132 Cb -0.44 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.41 1kru s ILE 132 CO 0.64 0.49 -0.03 -0.89 0.00 0.00 0.00 174.94 175.16 1kru s THR 133 N 1.18 3.53 -0.29 2.92 2.01 -0.84 -1.11 115.64 123.06 1kru s THR 133 Ca -0.00 -0.44 -0.03 0.00 0.31 0.00 0.00 61.69 61.52 1kru s THR 133 Cb -0.14 -2.60 0.03 0.00 0.01 0.00 0.00 72.50 69.80 1kru s THR 133 CO -0.07 0.42 0.00 -0.63 -0.69 0.00 0.00 174.62 173.65 1kru s ILE 134 N 1.36 3.17 0.92 1.82 1.01 0.21 -0.26 121.20 129.44 1kru s ILE 134 Ca 0.04 -1.14 -0.13 0.00 0.00 0.00 0.00 60.65 59.42 1kru s ILE 134 Cb -0.14 -2.72 0.21 0.00 0.01 0.00 0.00 42.46 39.81 1kru s ILE 134 CO -0.01 0.01 0.47 0.61 0.00 0.00 0.00 174.94 176.02 1kru n GLY 135 N 4.69 -2.74 3.83 6.18 0.00 0.89 -0.02 105.19 118.02 1kru n GLY 135 Ca -0.14 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.66 1kru n GLY 135 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kru s ASN 136 N -2.29 6.88 -1.54 1.61 0.01 -1.26 -3.71 114.94 114.63 1kru s ASN 136 Ca 0.36 1.56 -0.11 0.00 -0.71 0.00 0.00 52.86 53.96 1kru s ASN 136 Cb -0.06 -2.49 0.08 0.00 0.41 0.00 0.00 41.25 39.19 1kru s ASN 136 CO 0.31 -0.32 0.75 0.59 -1.51 0.00 0.00 177.10 176.91 1kru n ASN 137 N -0.59 -2.82 -4.91 -1.22 4.13 0.22 -0.12 115.26 109.94 1kru n ASN 137 Ca 0.06 -0.92 -0.31 0.00 1.68 0.00 0.00 54.58 55.09 1kru n ASN 137 Cb 0.54 -3.31 -0.04 0.00 -1.54 0.00 0.00 39.78 35.43 1kru n ASN 137 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1kru s VAL 138 N -3.50 5.32 -0.16 2.41 1.01 -1.26 -3.81 120.40 120.41 1kru s VAL 138 Ca 0.46 -0.23 -0.00 0.00 0.00 0.00 0.00 61.98 62.22 1kru s VAL 138 Cb -0.24 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.55 1kru s VAL 138 CO 0.88 0.12 -0.08 0.86 0.00 0.00 0.00 175.10 176.88 1kru s TRP 139 N -1.54 1.89 -0.21 5.22 -0.00 -0.86 -1.31 118.94 122.11 1kru s TRP 139 Ca 0.36 -1.16 -0.09 0.00 -0.00 0.00 0.00 56.10 55.21 1kru s TRP 139 Cb -0.13 -1.41 -0.04 0.00 -0.00 0.00 0.00 33.47 31.89 1kru s TRP 139 CO 0.26 -0.64 0.10 0.42 -0.00 0.00 0.00 176.95 177.10 1kru s ILE 140 N 1.57 4.93 1.10 5.86 1.01 -0.44 -0.83 121.20 134.39 1kru s ILE 140 Ca 0.01 0.02 -0.18 0.00 0.00 0.00 0.00 60.65 60.51 1kru s ILE 140 Cb -0.15 -3.26 0.25 0.00 0.01 0.00 0.00 42.46 39.31 1kru s ILE 140 CO -0.08 0.40 1.20 -0.83 0.00 0.00 0.00 174.94 175.63 1kru s GLY 141 N 0.83 1.67 0.31 6.18 0.00 0.57 -1.17 107.32 115.71 1kru s GLY 141 Ca 0.05 -1.06 -0.29 0.00 0.00 0.00 0.00 44.72 43.43 1kru s GLY 141 CO 0.02 -0.22 1.25 -0.56 0.00 0.00 0.00 173.10 173.59 1kru s SER 142 N -4.33 6.91 -1.30 1.64 0.01 -1.26 -3.61 113.70 111.76 1kru s SER 142 Ca 0.72 2.57 -0.08 0.00 1.31 0.00 0.00 55.95 60.47 1kru s SER 142 Cb -0.07 -2.64 0.01 0.00 0.21 0.00 0.00 66.02 63.53 1kru s SER 142 CO 0.55 -0.43 1.02 1.41 0.41 0.00 0.00 173.24 176.20 1kru n HIS 143 N 0.97 -2.56 -3.63 2.43 8.25 -0.44 0.10 115.22 120.34 1kru n HIS 143 Ca -0.00 0.87 -0.31 0.00 -0.26 0.00 0.00 57.72 58.02 1kru n HIS 143 Cb 0.43 -4.69 -0.05 0.00 1.12 0.00 0.00 29.99 26.80 1kru n HIS 143 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1kru s VAL 144 N -3.27 5.13 -0.14 1.59 1.01 -1.23 -3.36 120.40 120.12 1kru s VAL 144 Ca 0.51 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.56 1kru s VAL 144 Cb -0.22 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.57 1kru s VAL 144 CO 0.63 0.01 -0.05 -0.69 0.00 0.00 0.00 175.10 174.99 1kru s VAL 145 N -1.69 1.02 -0.31 2.92 1.01 -0.76 -0.56 120.40 122.03 1kru s VAL 145 Ca 0.42 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.82 1kru s VAL 145 Cb -0.12 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 1kru s VAL 145 CO 0.24 0.20 0.19 -0.63 0.00 0.00 0.00 175.10 175.11 1kru s ILE 146 N 1.68 5.04 0.91 2.22 1.01 -0.11 -1.09 121.20 130.87 1kru s ILE 146 Ca 0.02 -0.16 -0.14 0.00 0.00 0.00 0.00 60.65 60.37 1kru s ILE 146 Cb -0.14 -3.51 0.15 0.00 0.01 0.00 0.00 42.46 38.97 1kru s ILE 146 CO -0.08 0.11 1.24 0.20 0.00 0.00 0.00 174.94 176.41 1kru s ASN 147 N 1.70 3.55 0.57 3.58 0.02 -0.40 -1.61 114.94 122.34 1kru s ASN 147 Ca 0.06 0.54 -0.21 0.00 -1.02 0.00 0.00 52.86 52.24 1kru s ASN 147 Cb -0.17 -0.81 -0.04 0.00 0.02 0.00 0.00 41.25 40.25 1kru s ASN 147 CO 0.09 -2.48 1.34 -2.65 0.02 0.00 0.00 177.10 173.41 1kru n PRO 148 N -3.65 1.53 -1.95 -0.60 -0.02 -0.63 -3.21 135.00 126.47 1kru n PRO 148 Ca 0.12 0.57 -0.20 0.00 -2.02 0.00 0.00 63.50 61.97 1kru n PRO 148 Cb 0.60 -2.56 -0.05 0.00 -0.02 0.00 0.00 33.50 31.47 1kru n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kru n GLY 149 N 0.81 0.81 3.85 -1.23 0.00 -0.58 -4.96 105.19 103.88 1kru n GLY 149 Ca 0.12 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1kru n GLY 149 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kru s VAL 150 N -2.85 5.13 -0.11 1.61 1.01 -1.20 -4.84 120.40 119.15 1kru s VAL 150 Ca 0.00 0.67 0.03 0.00 0.00 0.00 0.00 61.98 62.68 1kru s VAL 150 Cb 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1kru s VAL 150 CO 0.00 0.55 -0.23 -0.89 0.00 0.00 0.00 175.10 174.54 1kru s THR 151 N -1.11 2.11 -0.22 3.92 2.01 -1.26 -1.98 115.64 119.11 1kru s THR 151 Ca 0.23 -0.99 -0.07 0.00 0.31 0.00 0.00 61.69 61.17 1kru s THR 151 Cb -0.15 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 1kru s THR 151 CO 0.12 0.55 0.06 -0.63 -0.69 0.00 0.00 174.62 174.03 1kru s ILE 152 N 0.49 4.42 0.74 1.82 -1.09 0.64 -0.50 121.20 127.73 1kru s ILE 152 Ca -0.15 -0.15 -0.12 0.00 -2.23 0.00 0.00 60.65 58.01 1kru s ILE 152 Cb -0.17 -3.03 0.04 0.00 -1.58 0.00 0.00 42.46 37.72 1kru s ILE 152 CO 0.05 0.39 1.10 -0.83 -1.23 0.00 0.00 174.94 174.42 1kru s GLY 153 N 1.13 1.79 0.59 6.18 0.00 0.79 -0.07 107.32 117.72 1kru s GLY 153 Ca 0.04 0.33 -0.18 0.00 0.00 0.00 0.00 44.72 44.91 1kru s GLY 153 CO 0.03 0.68 0.92 1.22 0.00 0.00 0.00 173.10 175.95 1kru n ASP 154 N -3.26 0.60 -0.96 1.64 10.43 -1.26 -2.90 116.55 120.84 1kru n ASP 154 Ca 0.09 0.80 -0.10 0.00 2.57 0.00 0.00 54.79 58.16 1kru n ASP 154 Cb 0.53 -1.37 -0.04 0.00 1.84 0.00 0.00 41.12 42.08 1kru n ASP 154 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1kru n ASN 155 N -0.62 -4.16 -4.91 -2.24 4.13 0.83 -0.63 115.26 107.66 1kru n ASN 155 Ca 0.13 0.25 -0.27 0.00 1.68 0.00 0.00 54.58 56.38 1kru n ASN 155 Cb 0.47 -3.36 0.01 0.00 -1.54 0.00 0.00 39.78 35.36 1kru n ASN 155 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1kru s SER 156 N -2.02 6.02 -0.03 6.41 0.01 -1.14 -4.15 113.70 118.81 1kru s SER 156 Ca 0.00 0.83 0.05 0.00 1.31 0.00 0.00 55.95 58.13 1kru s SER 156 Cb 0.00 -2.04 -0.01 0.00 0.21 0.00 0.00 66.02 64.19 1kru s SER 156 CO 0.00 -0.74 -0.17 -0.69 0.41 0.00 0.00 173.24 172.05 1kru s VAL 157 N -2.81 1.39 -0.33 3.43 1.01 0.41 -2.04 120.40 121.46 1kru s VAL 157 Ca 0.50 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 1kru s VAL 157 Cb -0.10 -1.17 0.07 0.00 0.00 0.00 0.00 36.38 35.18 1kru s VAL 157 CO 0.45 0.40 0.04 -0.63 0.00 0.00 0.00 175.10 175.36 1kru s ILE 158 N -0.21 2.93 0.97 2.22 -1.09 -0.01 -0.92 121.20 125.09 1kru s ILE 158 Ca 0.02 -1.64 -0.14 0.00 -2.23 0.00 0.00 60.65 56.65 1kru s ILE 158 Cb -0.09 -2.81 -0.03 0.00 -1.58 0.00 0.00 42.46 37.96 1kru s ILE 158 CO 0.00 -0.28 -0.03 0.61 -1.23 0.00 0.00 174.94 174.02 1kru n GLY 159 N 4.57 -2.91 3.78 6.18 0.00 0.99 -0.31 105.19 117.49 1kru n GLY 159 Ca -0.09 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.81 1kru n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kru s ALA 160 N -2.26 2.92 -0.27 4.61 0.00 -1.26 -3.58 121.76 121.91 1kru s ALA 160 Ca 0.51 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.29 1kru s ALA 160 Cb -0.19 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1kru s ALA 160 CO 0.72 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.34 1kru n GLY 161 N 0.27 0.50 3.89 0.00 0.00 0.28 -4.79 105.19 105.34 1kru n GLY 161 Ca 0.08 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 1kru n GLY 161 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kru s SER 162 N -2.24 6.46 -0.44 1.61 1.04 -1.23 -4.77 113.70 114.12 1kru s SER 162 Ca 0.00 1.03 -0.01 0.00 0.48 0.00 0.00 55.95 57.45 1kru s SER 162 Cb 0.00 -2.28 0.12 0.00 0.10 0.00 0.00 66.02 63.96 1kru s SER 162 CO 0.00 -0.41 0.22 -0.63 0.98 0.00 0.00 173.24 173.40 1kru s ILE 163 N -2.41 3.07 -0.24 -1.02 -1.09 -0.85 -1.83 121.20 116.83 1kru s ILE 163 Ca 0.49 -2.41 -0.29 0.00 -2.23 0.00 0.00 60.65 56.22 1kru s ILE 163 Cb -0.10 -3.11 0.01 0.00 -1.58 0.00 0.00 42.46 37.67 1kru s ILE 163 CO 0.34 -0.71 1.13 -0.69 -1.23 0.00 0.00 174.94 173.77 1kru s VAL 164 N 0.73 4.49 0.00 2.92 1.01 -0.25 -1.84 120.40 127.47 1kru s VAL 164 Ca 0.11 1.78 0.00 0.00 0.00 0.00 0.00 61.98 63.87 1kru s VAL 164 Cb -0.22 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 31.92 1kru s VAL 164 CO -0.05 -0.27 0.04 0.35 0.00 0.00 0.00 175.10 175.18 1kru n THR 165 N 5.55 0.00 -4.11 3.92 -2.24 -1.26 -1.28 114.28 114.85 1kru n THR 165 Ca 0.13 -0.43 -0.13 0.00 -2.27 0.00 0.00 64.05 61.35 1kru n THR 165 Cb 0.46 1.01 -0.11 0.00 -2.10 0.00 0.00 70.33 69.59 1kru n THR 165 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1kru s LYS 166 N -0.78 0.67 0.52 -0.78 1.02 -1.26 -4.95 119.74 114.19 1kru s LYS 166 Ca 0.00 -0.99 -0.21 0.00 0.02 0.00 0.00 55.97 54.80 1kru s LYS 166 Cb 0.00 -0.33 -0.08 0.00 -0.52 0.00 0.00 37.83 36.91 1kru s LYS 166 CO 0.00 0.04 0.88 -0.25 -0.92 0.00 0.00 175.35 175.10 1kru n ASP 167 N 0.90 0.52 -4.31 2.83 9.92 -1.26 -4.79 116.55 120.35 1kru n ASP 167 Ca -0.19 0.88 -0.34 0.00 -0.53 0.00 0.00 54.79 54.61 1kru n ASP 167 Cb 0.57 -1.32 -0.15 0.00 -0.64 0.00 0.00 41.12 39.58 1kru n ASP 167 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1kru s ILE 168 N -1.47 3.00 0.91 0.53 -1.09 0.34 -4.95 121.20 118.47 1kru s ILE 168 Ca 0.69 -0.65 -0.11 0.00 -2.23 0.00 0.00 60.65 58.36 1kru s ILE 168 Cb -0.48 -2.30 0.14 0.00 -1.58 0.00 0.00 42.46 38.24 1kru s ILE 168 CO 0.52 0.49 1.11 -2.16 -1.23 0.00 0.00 174.94 173.67 1kru s PRO 169 N 0.90 1.11 0.79 2.79 0.04 -1.26 -0.15 135.00 139.23 1kru s PRO 169 Ca -0.03 1.22 -0.11 0.00 0.04 0.00 0.00 61.00 62.12 1kru s PRO 169 Cb -0.15 -1.76 0.07 0.00 0.04 0.00 0.00 34.50 32.70 1kru s PRO 169 CO -0.00 -2.46 1.10 -1.25 0.04 0.00 0.00 177.00 174.43 1kru s PRO 170 N -4.74 2.11 -1.61 0.56 0.04 -1.26 -4.07 135.00 126.03 1kru s PRO 170 Ca 0.65 0.61 -0.03 0.00 0.04 0.00 0.00 61.00 62.27 1kru s PRO 170 Cb -0.21 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.42 1kru s PRO 170 CO 0.58 -1.60 0.36 0.09 0.04 0.00 0.00 177.00 176.48 1kru n ASN 171 N -3.41 -5.87 -4.39 6.66 5.03 0.20 -4.90 115.26 108.57 1kru n ASN 171 Ca 0.07 -0.18 -0.19 0.00 0.87 0.00 0.00 54.58 55.15 1kru n ASN 171 Cb 0.56 -4.80 -0.10 0.00 -1.02 0.00 0.00 39.78 34.42 1kru n ASN 171 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1kru s VAL 172 N -3.10 1.21 -0.20 2.41 -7.23 -1.26 -0.98 120.40 111.25 1kru s VAL 172 Ca 0.19 -2.04 -0.01 0.00 -1.81 0.00 0.00 61.98 58.30 1kru s VAL 172 Cb -0.09 -2.53 0.01 0.00 0.56 0.00 0.00 36.38 34.34 1kru s VAL 172 CO 0.23 -0.20 -0.12 -0.69 -0.31 0.00 0.00 175.10 174.01 1kru s VAL 173 N -3.29 2.72 0.16 1.32 1.01 -0.70 -0.44 120.40 121.17 1kru s VAL 173 Ca 0.32 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.66 1kru s VAL 173 Cb 0.06 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1kru s VAL 173 CO 0.12 0.47 -0.18 0.00 0.00 0.00 0.00 175.10 175.51 1kru s ALA 174 N 1.38 1.97 0.05 5.51 0.00 -0.10 -1.21 121.76 129.36 1kru s ALA 174 Ca 0.05 -1.45 -0.28 0.00 0.00 0.00 0.00 51.96 50.28 1kru s ALA 174 Cb -0.14 -0.19 0.10 0.00 0.00 0.00 0.00 23.12 22.89 1kru s ALA 174 CO -0.08 0.25 1.12 0.00 0.00 0.00 0.00 175.76 177.05 1kru s ALA 175 N -1.93 -1.96 0.00 0.00 0.00 -0.78 -0.01 121.76 117.09 1kru s ALA 175 Ca 0.14 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1kru s ALA 175 Cb -0.06 0.46 0.00 0.00 0.00 0.00 0.00 23.12 23.52 1kru s ALA 175 CO 0.06 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.22 1kru n GLY 176 N -0.45 1.70 2.69 0.00 0.00 -1.26 -1.48 105.19 106.39 1kru n GLY 176 Ca -0.07 -2.17 -0.30 0.00 0.00 0.00 0.00 46.02 43.48 1kru n GLY 176 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kru s VAL 177 N -1.64 0.85 0.87 1.61 1.01 -1.26 -2.02 120.40 119.82 1kru s VAL 177 Ca 0.00 -1.62 -0.13 0.00 0.00 0.00 0.00 61.98 60.23 1kru s VAL 177 Cb 0.00 -1.63 0.12 0.00 0.00 0.00 0.00 36.38 34.87 1kru s VAL 177 CO 0.00 -0.75 1.21 -2.16 0.00 0.00 0.00 175.10 173.40 1kru s PRO 178 N 1.34 1.46 0.52 2.72 0.04 -1.26 -5.03 135.00 134.80 1kru s PRO 178 Ca 0.12 -0.01 -0.21 0.00 0.04 0.00 0.00 61.00 60.94 1kru s PRO 178 Cb -0.19 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.39 1kru s PRO 178 CO -0.18 -1.92 1.21 0.00 0.04 0.00 0.00 177.00 176.15 1kru s ARG 180 N -2.97 0.69 0.04 0.00 1.70 -0.55 -4.89 118.95 112.97 1kru s ARG 180 Ca 0.70 0.18 -0.30 0.00 -0.47 0.00 0.00 55.73 55.83 1kru s ARG 180 Cb -0.31 0.32 -0.08 0.00 -0.57 0.00 0.00 34.95 34.31 1kru s ARG 180 CO 0.36 -0.17 1.74 0.08 -1.08 0.00 0.00 175.30 176.23 1kru s VAL 181 N -0.74 3.10 -0.17 4.99 1.01 -1.26 -1.86 120.40 125.46 1kru s VAL 181 Ca -0.08 0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.31 1kru s VAL 181 Cb -0.04 -3.25 -0.22 0.00 0.00 0.00 0.00 36.38 32.87 1kru s VAL 181 CO 0.04 -0.02 0.15 2.30 0.00 0.00 0.00 175.10 177.58 1kru n ILE 182 N 5.08 1.60 -3.78 2.22 -5.35 -0.35 -4.96 119.36 113.83 1kru n ILE 182 Ca 0.17 -0.67 -0.04 0.00 -0.27 0.00 0.00 62.75 61.94 1kru n ILE 182 Cb 0.41 -1.35 -0.01 0.00 -1.74 0.00 0.00 39.64 36.95 1kru n ILE 182 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1kru s ARG 183 N -2.54 1.28 -0.03 6.28 1.70 -1.15 -5.04 118.95 119.46 1kru s ARG 183 Ca -0.23 -0.72 -0.03 0.00 -0.47 0.00 0.00 55.73 54.28 1kru s ARG 183 Cb 0.08 0.43 -0.04 0.00 -0.57 0.00 0.00 34.95 34.84 1kru s ARG 183 CO 0.73 -0.59 0.17 -2.00 -1.08 0.00 0.00 175.30 172.53 1kru s GLU 184 N -3.23 3.44 -0.45 3.89 2.12 -1.26 -1.72 118.70 121.48 1kru s GLU 184 Ca 0.13 -0.29 -0.27 0.00 0.36 0.00 0.00 54.97 54.90 1kru s GLU 184 Cb -0.02 -3.11 0.03 0.00 0.26 0.00 0.00 34.13 31.29 1kru s GLU 184 CO 0.03 0.69 1.02 0.42 -0.54 0.00 0.00 175.26 176.88 1kru s ILE 185 N -1.27 4.38 0.00 -3.70 1.01 -0.15 -4.90 121.20 116.56 1kru s ILE 185 Ca 0.25 1.03 0.00 0.00 0.00 0.00 0.00 60.65 61.93 1kru s ILE 185 Cb -0.13 -4.49 0.00 0.00 0.01 0.00 0.00 42.46 37.85 1kru s ILE 185 CO 0.16 -0.86 0.00 -0.46 0.00 0.00 0.00 174.94 173.78 1kru n ASN 186 N 7.38 1.15 0.10 3.58 2.04 -1.26 -4.96 115.26 123.28 1kru n ASN 186 Ca 0.09 -0.04 0.12 0.00 -0.44 0.00 0.00 54.58 54.31 1kru n ASN 186 Cb 0.49 0.00 0.45 0.00 -2.53 0.00 0.00 39.78 38.19 1kru n ASN 186 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 1kru n ASP 187 N -0.07 0.59 0.06 0.53 8.00 -1.26 -2.48 116.55 121.91 1kru n ASP 187 Ca 0.00 0.61 -0.02 0.00 0.71 0.00 0.00 54.79 56.09 1kru n ASP 187 Cb 0.00 -0.75 0.24 0.00 -0.02 0.00 0.00 41.12 40.59 1kru n ASP 187 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1kru h ARG 188 N 0.00 0.36 0.00 -1.24 1.12 -1.96 -1.42 114.38 111.25 1kru h ARG 188 Ca 0.00 -0.14 0.00 0.00 -1.11 0.00 0.00 59.98 58.73 1kru h ARG 188 Cb 0.48 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.42 1kru h ARG 188 CO 0.00 0.62 0.00 -0.25 -3.11 0.00 0.00 179.97 177.23 1kru n ASP 189 N -4.11 0.00 -0.01 -3.80 8.00 -1.04 -0.97 116.55 114.63 1kru n ASP 189 Ca -0.01 0.35 0.13 0.00 0.71 0.00 0.00 54.79 55.97 1kru n ASP 189 Cb 0.41 -0.44 0.47 0.00 -0.02 0.00 0.00 41.12 41.54 1kru n ASP 189 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1kru n LYS 190 N -1.44 0.03 -0.01 -1.24 5.02 -0.53 -4.25 118.16 115.74 1kru n LYS 190 Ca 0.07 -0.01 -0.01 0.00 -2.02 0.00 0.00 58.31 56.33 1kru n LYS 190 Cb 0.23 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.73 1kru n LYS 190 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1kru n HIS 191 N -1.47 0.00 -3.48 2.13 8.25 -0.64 -4.91 115.22 115.11 1kru n HIS 191 Ca 0.07 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.10 1kru n HIS 191 Cb 0.33 -0.06 -0.10 0.00 1.12 0.00 0.00 29.99 31.28 1kru n HIS 191 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1kru s TYR 192 N -2.03 3.24 -0.14 4.41 1.51 -0.14 -0.25 117.35 123.95 1kru s TYR 192 Ca -0.02 -0.65 0.17 0.00 -1.01 0.00 0.00 57.07 55.56 1kru s TYR 192 Cb 0.01 -2.58 -0.10 0.00 -0.11 0.00 0.00 41.96 39.17 1kru s TYR 192 CO 0.04 -0.60 0.90 0.10 -1.11 0.00 0.00 175.55 174.88 1kru h TYR 193 N 8.61 0.00 -1.43 2.71 -0.00 -1.72 -3.41 116.97 121.74 1kru h TYR 193 Ca -0.27 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.46 1kru h TYR 193 Cb 1.12 0.00 -0.24 0.00 0.00 0.00 0.00 36.73 37.60 1kru h TYR 193 CO 0.55 0.50 -0.34 0.12 -0.00 0.00 0.00 178.16 179.00 1kru s PHE 194 N -2.98 -1.29 0.00 0.10 5.36 -1.23 -5.05 117.98 112.89 1kru s PHE 194 Ca -0.02 1.43 0.00 0.00 -0.96 0.00 0.00 56.93 57.38 1kru s PHE 194 Cb 0.09 0.38 0.00 0.00 -0.34 0.00 0.00 43.02 43.15 1kru s PHE 194 CO 0.80 -0.80 0.00 1.63 -1.46 0.00 0.00 175.22 175.40 1kru n LYS 195 N 5.41 0.00 -0.66 10.12 5.02 -1.26 -1.22 118.16 135.57 1kru n LYS 195 Ca -0.03 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.34 1kru n LYS 195 Cb 0.51 0.00 0.33 0.00 -0.02 0.00 0.00 35.03 35.84 1kru n LYS 195 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1kru n ASP 196 N 9.97 4.71 -4.51 4.39 5.68 -1.26 -4.92 116.55 130.61 1kru n ASP 196 Ca 0.00 -3.00 -0.39 0.00 -0.50 0.00 0.00 54.79 50.90 1kru n ASP 196 Cb 0.00 -0.61 -0.11 0.00 -1.14 0.00 0.00 41.12 39.26 1kru n ASP 196 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1kru s TYR 197 N -2.82 3.21 -0.11 2.11 1.51 -0.35 -5.07 117.35 115.83 1kru s TYR 197 Ca 0.48 -0.29 -0.06 0.00 -1.01 0.00 0.00 57.07 56.18 1kru s TYR 197 Cb 0.38 -2.42 -0.04 0.00 -0.11 0.00 0.00 41.96 39.77 1kru s TYR 197 CO 0.12 -0.37 0.13 -1.59 -1.11 0.00 0.00 175.55 172.73 1kru s LYS 198 N 1.69 3.40 -0.75 -0.62 0.00 -1.26 -2.34 119.74 119.85 1kru s LYS 198 Ca 0.06 -0.17 -0.26 0.00 0.00 0.00 0.00 55.97 55.60 1kru s LYS 198 Cb -0.17 -3.15 0.02 0.00 0.00 0.00 0.00 37.83 34.53 1kru s LYS 198 CO 0.09 0.77 1.48 0.54 0.00 0.00 0.00 175.35 178.22 1kru s VAL 199 N -1.04 3.64 -0.67 1.79 0.11 0.65 -4.87 120.40 120.02 1kru s VAL 199 Ca 0.16 0.19 -0.24 0.00 -2.93 0.00 0.00 61.98 59.16 1kru s VAL 199 Cb -0.12 -4.64 -0.20 0.00 -1.53 0.00 0.00 36.38 29.89 1kru s VAL 199 CO 0.05 -1.59 1.87 -0.62 -3.33 0.00 0.00 175.10 171.48 1kru n GLU 200 N 9.25 1.20 -1.51 1.54 1.02 -1.26 -4.88 120.64 126.00 1kru n GLU 200 Ca 0.13 -1.74 -0.59 0.00 -0.02 0.00 0.00 57.16 54.94 1kru n GLU 200 Cb 0.50 -2.93 -0.08 0.00 -0.02 0.00 0.00 31.44 28.90 1kru n GLU 200 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1kru n SER 201 N 8.64 0.34 -0.89 1.62 3.41 -1.26 -5.30 113.62 120.19 1kru n SER 201 Ca 0.49 1.12 0.12 0.00 -0.26 0.00 0.00 58.87 60.34 1kru n SER 201 Cb 0.41 -0.87 0.17 0.00 -0.26 0.00 0.00 64.21 63.66 1kru n SER 201 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68