#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kru n MET 3 N 0.00 -0.08 -1.68 3.52 0.00 -1.26 -5.11 117.12 112.52 1kru n MET 3 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.70 57.29 1kru n MET 3 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 33.22 33.24 1kru n MET 3 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1kru n PRO 4 N -0.09 1.72 -0.11 2.12 -0.04 -1.26 -4.88 135.00 132.46 1kru n PRO 4 Ca 0.00 0.62 -0.09 0.00 -0.04 0.00 0.00 63.50 63.99 1kru n PRO 4 Cb 0.00 -2.30 -0.01 0.00 -0.04 0.00 0.00 33.50 31.15 1kru n PRO 4 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1kru h MET 5 N 1.84 0.48 0.00 0.54 2.86 -1.98 -2.36 114.93 116.30 1kru h MET 5 Ca -0.47 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.13 1kru h MET 5 Cb 1.31 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.87 1kru h MET 5 CO 0.59 0.36 0.00 1.79 1.06 0.00 0.00 176.91 180.70 1kru h THR 6 N 0.46 0.00 0.00 2.22 1.35 -1.93 -1.95 112.91 113.06 1kru h THR 6 Ca 0.13 -0.31 -0.16 0.00 -0.55 0.00 0.00 66.41 65.52 1kru h THR 6 Cb 0.00 1.23 -0.02 0.00 -1.73 0.00 0.00 68.15 67.63 1kru h THR 6 CO -0.02 0.00 -0.75 -0.08 -0.25 0.00 0.00 175.52 174.42 1kru h GLU 7 N 0.00 0.00 0.19 4.72 4.81 -1.78 -3.09 114.58 119.42 1kru h GLU 7 Ca 0.00 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.93 1kru h GLU 7 Cb 0.33 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.73 1kru h GLU 7 CO 0.00 0.75 -1.36 0.00 -0.73 0.00 0.00 179.01 177.67 1kru h ARG 8 N 0.00 0.40 -0.33 1.92 3.08 -1.25 -3.16 114.38 115.05 1kru h ARG 8 Ca -0.01 -0.68 0.05 0.00 0.07 0.00 0.00 59.98 59.41 1kru h ARG 8 Cb 1.36 0.25 -0.05 0.00 0.08 0.00 0.00 29.97 31.61 1kru h ARG 8 CO 0.10 1.33 0.02 0.82 -1.07 0.00 0.00 179.97 181.16 1kru h ILE 9 N 0.11 0.78 -0.01 2.04 2.04 -1.47 -0.48 117.51 120.52 1kru h ILE 9 Ca -0.19 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1kru h ILE 9 Cb 2.07 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 38.80 1kru h ILE 9 CO 0.24 0.02 -0.05 0.03 0.00 0.00 0.00 178.15 178.39 1kru h ARG 10 N 0.11 0.01 -0.01 2.37 -0.00 -1.60 -2.77 114.38 112.50 1kru h ARG 10 Ca 0.16 -0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.64 1kru h ARG 10 Cb 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.17 1kru h ARG 10 CO -0.25 0.07 -0.54 0.00 0.00 0.00 0.00 179.97 179.25 1kru n ALA 11 N -2.53 3.70 -1.65 0.04 0.00 -0.81 -4.97 120.51 114.30 1kru n ALA 11 Ca -0.03 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1kru n ALA 11 Cb 0.14 -0.93 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 1.43 0.75 3.86 0.00 0.00 -0.33 -5.07 105.19 105.82 1kru n GLY 12 Ca 0.08 -0.68 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.48 3.09 0.63 1.61 1.02 -0.36 -4.90 119.74 117.36 1kru s LYS 13 Ca 0.00 -0.86 -0.18 0.00 0.02 0.00 0.00 55.97 54.95 1kru s LYS 13 Cb 0.00 -2.72 -0.02 0.00 -0.52 0.00 0.00 37.83 34.58 1kru s LYS 13 CO 0.00 0.46 1.27 -0.51 -0.92 0.00 0.00 175.35 175.65 1kru s LEU 14 N -3.49 3.60 0.32 3.17 1.43 -1.26 -4.39 118.68 118.07 1kru s LEU 14 Ca 0.33 2.57 -0.18 0.00 -1.03 0.00 0.00 54.13 55.81 1kru s LEU 14 Cb -0.09 -4.61 0.06 0.00 0.03 0.00 0.00 46.19 41.58 1kru s LEU 14 CO 0.26 -1.89 0.86 0.72 0.23 0.00 0.00 176.35 176.53 1kru s PHE 15 N -1.44 0.09 0.03 0.29 -0.12 -0.50 -4.88 117.98 111.45 1kru s PHE 15 Ca 0.81 -0.68 -0.00 0.00 -0.05 0.00 0.00 56.93 57.01 1kru s PHE 15 Cb -0.36 0.79 -0.03 0.00 -0.63 0.00 0.00 43.02 42.80 1kru s PHE 15 CO 0.38 -1.36 -0.03 0.95 -0.05 0.00 0.00 175.22 175.11 1kru s THR 16 N -2.33 0.15 -0.34 -4.49 -4.23 -1.26 -0.94 115.64 102.18 1kru s THR 16 Ca 0.17 -1.16 0.06 0.00 -1.18 0.00 0.00 61.69 59.59 1kru s THR 16 Cb -0.04 -0.61 0.46 0.00 1.34 0.00 0.00 72.50 73.65 1kru s THR 16 CO 0.09 -0.63 1.38 -0.90 -0.54 0.00 0.00 174.62 174.02 1kru n ASP 17 N 1.19 4.59 -2.41 3.99 5.75 -1.26 -4.78 116.55 123.62 1kru n ASP 17 Ca -0.21 -3.78 -0.35 0.00 -0.01 0.00 0.00 54.79 50.44 1kru n ASP 17 Cb 0.57 -0.52 0.07 0.00 -1.03 0.00 0.00 41.12 40.21 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 -0.86 2.64 -2.87 0.11 2.81 -1.26 -3.89 117.12 113.80 1kru n MET 18 Ca 0.43 -3.20 -0.01 0.00 -1.81 0.00 0.00 57.70 53.10 1kru n MET 18 Cb 0.90 -2.24 0.01 0.00 -0.71 0.00 0.00 33.22 31.18 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 -0.44 -2.03 -0.95 0.00 1.02 -1.26 -0.82 120.64 116.15 1kru n GLU 20 Ca -0.00 0.75 0.00 0.00 -0.02 0.00 0.00 57.16 57.89 1kru n GLU 20 Cb 0.33 -5.37 0.00 0.00 -0.02 0.00 0.00 31.44 26.38 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 -0.88 0.42 0.24 0.62 0.00 -1.26 -4.88 105.19 99.45 1kru n GLY 21 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 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 0.80 -2.65 0.99 3.38 -1.25 -2.14 115.31 114.44 1kru h LEU 22 Ca 0.00 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1kru h LEU 22 Cb 0.25 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1kru h LEU 22 CO 0.00 0.96 0.02 -0.65 0.09 0.00 0.00 178.44 178.86 1kru h PRO 23 N 0.62 0.00 0.00 1.13 0.11 -1.75 -1.99 132.00 130.13 1kru h PRO 23 Ca 0.11 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.95 1kru h PRO 23 Cb 0.59 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.65 1kru h PRO 23 CO 0.04 0.00 -1.82 -0.85 -0.21 0.00 0.00 178.00 175.15 1kru n GLU 24 N -3.52 0.64 0.19 1.05 0.00 -1.09 -3.09 120.64 114.82 1kru n GLU 24 Ca -0.03 0.18 0.04 0.00 0.00 0.00 0.00 57.16 57.35 1kru n GLU 24 Cb 0.10 -1.72 0.42 0.00 0.00 0.00 0.00 31.44 30.25 1kru n GLU 24 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1kru h LYS 25 N 0.00 0.05 0.07 3.44 3.64 -0.70 -0.50 116.57 122.57 1kru h LYS 25 Ca -0.31 -0.01 -0.29 0.00 -1.27 0.00 0.00 60.65 58.77 1kru h LYS 25 Cb 1.93 -0.01 0.03 0.00 -0.41 0.00 0.00 32.23 33.76 1kru h LYS 25 CO 0.05 0.30 -1.16 0.00 -2.27 0.00 0.00 179.45 176.37 1kru h ARG 26 N 0.05 0.65 -0.54 1.90 3.08 -1.54 -2.61 114.38 115.37 1kru h ARG 26 Ca 0.01 -0.79 -0.03 0.00 0.07 0.00 0.00 59.98 59.23 1kru h ARG 26 Cb 0.46 0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 1kru h ARG 26 CO 0.03 1.35 0.20 1.25 -1.07 0.00 0.00 179.97 181.74 1kru h LEU 27 N 0.33 0.76 -1.24 3.04 5.85 -1.39 0.54 115.31 123.20 1kru h LEU 27 Ca -0.16 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.40 1kru h LEU 27 Cb 1.82 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.61 1kru h LEU 27 CO 0.22 0.73 0.52 -0.09 -0.34 0.00 0.00 178.44 179.49 1kru h ARG 28 N 0.74 0.99 -0.07 1.25 2.43 -1.15 -1.54 114.38 117.04 1kru h ARG 28 Ca 0.18 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1kru h ARG 28 Cb 0.22 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1kru h ARG 28 CO -0.01 0.66 -0.17 0.78 -1.51 0.00 0.00 179.97 179.71 1kru h GLY 29 N 1.02 0.26 2.00 2.80 0.00 -0.82 -3.01 103.07 105.33 1kru h GLY 29 Ca 0.30 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1kru h GLY 29 CO -0.08 0.29 0.00 0.50 0.00 0.00 0.00 176.54 177.25 1kru h LYS 30 N -0.26 0.00 0.00 4.80 1.79 0.13 -2.14 116.57 120.89 1kru h LYS 30 Ca -0.00 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.24 1kru h LYS 30 Cb 0.78 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.43 1kru h LYS 30 CO 0.04 0.00 -0.94 1.15 -1.08 0.00 0.00 179.45 178.62 1kru h THR 31 N 0.00 1.41 0.00 -0.16 2.02 -1.23 -0.99 112.91 113.96 1kru h THR 31 Ca 0.00 -2.47 -0.19 0.00 0.77 0.00 0.00 66.41 64.52 1kru h THR 31 Cb 0.42 2.43 -0.03 0.00 -1.74 0.00 0.00 68.15 69.24 1kru h THR 31 CO 0.00 0.74 -0.89 -0.07 0.37 0.00 0.00 175.52 175.67 1kru h LEU 32 N 0.22 0.00 -0.17 2.58 4.07 -1.33 -3.08 115.31 117.60 1kru h LEU 32 Ca -0.08 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.71 1kru h LEU 32 Cb 1.58 0.00 0.01 0.00 1.08 0.00 0.00 40.66 43.32 1kru h LEU 32 CO 0.16 0.89 -0.57 -0.03 -1.08 0.00 0.00 178.44 177.81 1kru h MET 33 N 0.00 0.68 0.00 1.13 1.85 -1.35 -2.57 114.93 114.67 1kru h MET 33 Ca -0.01 -0.51 -0.03 0.00 -0.61 0.00 0.00 59.70 58.54 1kru h MET 33 Cb 1.60 0.09 -0.00 0.00 0.43 0.00 0.00 31.60 33.72 1kru h MET 33 CO 0.12 1.13 -0.13 -0.92 -0.40 0.00 0.00 176.91 176.70 1kru h TYR 34 N 0.37 0.00 0.01 1.39 3.20 -1.22 0.19 116.97 120.91 1kru h TYR 34 Ca -0.02 0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.64 1kru h TYR 34 Cb 1.20 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.44 1kru h TYR 34 CO 0.09 0.13 -0.96 0.93 -1.64 0.00 0.00 178.16 176.71 1kru h GLU 35 N 0.00 0.03 0.10 1.82 5.08 -1.44 -2.87 114.58 117.30 1kru h GLU 35 Ca -0.00 -0.04 -0.26 0.00 -1.00 0.00 0.00 59.36 58.06 1kru h GLU 35 Cb 0.30 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1kru h GLU 35 CO 0.02 0.96 -1.18 0.35 -1.00 0.00 0.00 179.01 178.16 1kru h PHE 36 N 0.01 0.42 0.00 4.33 3.57 -0.90 -2.77 116.94 121.60 1kru h PHE 36 Ca -0.02 -0.30 -0.07 0.00 3.53 0.00 0.00 57.97 61.11 1kru h PHE 36 Cb 1.68 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.39 1kru h PHE 36 CO 0.01 1.22 -0.32 -0.91 -2.23 0.00 0.00 178.31 176.08 1kru h ASN 37 N 0.07 0.00 -0.02 0.41 -0.26 -1.06 -3.19 115.58 111.54 1kru h ASN 37 Ca -0.11 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.63 1kru h ASN 37 Cb 1.90 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.16 1kru h ASN 37 CO 0.19 0.32 -0.23 1.41 -1.06 0.00 0.00 177.43 178.06 1kru n HIS 38 N -3.26 0.00 -2.07 1.19 8.25 -1.08 -4.88 115.22 113.37 1kru n HIS 38 Ca 0.02 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.07 1kru n HIS 38 Cb 0.59 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.68 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 -2.01 6.64 0.30 0.41 1.04 -1.05 -4.95 113.70 114.08 1kru s SER 39 Ca 0.20 2.72 -0.29 0.00 0.48 0.00 0.00 55.95 59.06 1kru s SER 39 Cb 0.17 -2.65 -0.10 0.00 0.10 0.00 0.00 66.02 63.53 1kru s SER 39 CO 0.39 -0.63 1.36 -2.28 0.98 0.00 0.00 173.24 173.06 1kru s HIS 40 N -1.16 3.02 0.59 5.02 2.46 -1.26 -4.89 115.29 119.07 1kru s HIS 40 Ca 0.51 1.27 0.29 0.00 0.47 0.00 0.00 55.06 57.60 1kru s HIS 40 Cb -0.40 -3.74 1.40 0.00 -0.13 0.00 0.00 32.58 29.71 1kru s HIS 40 CO 0.53 -2.18 1.80 -1.00 -2.47 0.00 0.00 174.74 171.42 1kru h PRO 41 N 3.96 0.00 0.00 2.88 0.13 -1.98 0.15 132.00 137.14 1kru h PRO 41 Ca -0.48 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.58 1kru h PRO 41 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1kru h PRO 41 CO 0.70 0.00 -0.39 0.66 -0.23 0.00 0.00 178.00 178.74 1kru h SER 42 N 0.00 0.00 0.00 1.44 4.64 -2.03 -3.38 113.55 114.22 1kru h SER 42 Ca 0.27 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.25 1kru h SER 42 Cb 1.51 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.62 1kru h SER 42 CO -0.00 0.31 2.36 -0.62 -0.87 0.00 0.00 176.83 178.01 1kru n GLU 43 N -3.15 1.73 -0.27 4.77 1.02 0.54 -4.57 120.64 120.72 1kru n GLU 43 Ca 0.02 -1.35 -0.05 0.00 -0.02 0.00 0.00 57.16 55.77 1kru n GLU 43 Cb 0.66 -2.42 0.10 0.00 -0.02 0.00 0.00 31.44 29.76 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 3.61 1.25 0.10 2.62 2.07 -1.81 -0.69 116.25 123.40 1kru h VAL 44 Ca 0.42 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 1kru h VAL 44 Cb 0.18 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1kru h VAL 44 CO 1.43 0.32 -0.05 -0.33 0.02 0.00 0.00 177.57 178.96 1kru h GLU 45 N 1.11 -0.13 -0.70 1.57 3.07 -1.97 0.26 114.58 117.78 1kru h GLU 45 Ca 0.26 0.01 0.15 0.00 -0.50 0.00 0.00 59.36 59.28 1kru h GLU 45 Cb 0.18 0.03 -0.11 0.00 -0.84 0.00 0.00 28.75 28.02 1kru h GLU 45 CO -0.02 0.33 0.15 -0.22 -1.40 0.00 0.00 179.01 177.84 1kru h LYS 46 N -0.64 0.25 0.19 2.33 3.64 -1.92 0.35 116.57 120.76 1kru h LYS 46 Ca -0.01 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1kru h LYS 46 Cb 0.51 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1kru h LYS 46 CO 0.02 0.16 -0.09 0.00 -2.27 0.00 0.00 179.45 177.27 1kru h ARG 47 N 0.25 -0.25 -0.53 1.90 3.08 -1.01 0.81 114.38 118.64 1kru h ARG 47 Ca 0.39 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.58 1kru h ARG 47 Cb 0.65 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 1kru h ARG 47 CO -0.50 -0.02 0.37 0.93 -1.07 0.00 0.00 179.97 179.68 1kru h GLU 48 N -0.44 0.17 0.04 0.04 5.08 0.65 -1.75 114.58 118.37 1kru h GLU 48 Ca -0.03 -0.01 -0.29 0.00 -1.00 0.00 0.00 59.36 58.03 1kru h GLU 48 Cb 0.34 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 1kru h GLU 48 CO 0.04 0.11 -1.60 0.66 -1.00 0.00 0.00 179.01 177.22 1kru h SER 49 N 0.18 0.12 -0.54 1.42 4.64 -0.79 -3.33 113.55 115.24 1kru h SER 49 Ca 0.25 -0.21 -0.04 0.00 -0.47 0.00 0.00 61.79 61.33 1kru h SER 49 Cb 0.75 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.78 1kru h SER 49 CO -0.04 1.18 0.21 -0.07 -0.87 0.00 0.00 176.83 177.25 1kru h LEU 50 N 0.02 0.78 -0.52 5.97 3.38 0.01 -1.36 115.31 123.59 1kru h LEU 50 Ca -0.25 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1kru h LEU 50 Cb 1.98 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 42.53 1kru h LEU 50 CO 0.10 0.71 0.00 -0.29 0.09 0.00 0.00 178.44 179.05 1kru h ILE 51 N 0.83 0.00 0.06 1.22 2.10 -1.52 0.13 117.51 120.34 1kru h ILE 51 Ca 0.20 -0.35 -0.24 0.00 1.08 0.00 0.00 64.86 65.55 1kru h ILE 51 Cb 0.19 1.19 -0.01 0.00 -1.09 0.00 0.00 36.82 37.09 1kru h ILE 51 CO -0.02 0.00 -1.14 0.11 -1.08 0.00 0.00 178.15 176.03 1kru h LYS 52 N 0.00 0.13 0.22 2.19 1.57 -1.37 -3.14 116.57 116.17 1kru h LYS 52 Ca 0.00 -0.23 -0.33 0.00 -1.87 0.00 0.00 60.65 58.22 1kru h LYS 52 Cb 0.51 0.09 0.03 0.00 0.08 0.00 0.00 32.23 32.93 1kru h LYS 52 CO 0.00 1.10 -1.49 0.93 -0.57 0.00 0.00 179.45 179.42 1kru h GLU 53 N 0.04 0.46 -0.11 3.15 5.08 -1.03 -3.38 114.58 118.79 1kru h GLU 53 Ca -0.08 -0.78 -0.00 0.00 -1.00 0.00 0.00 59.36 57.50 1kru h GLU 53 Cb 1.87 0.29 -0.01 0.00 0.50 0.00 0.00 28.75 31.41 1kru h GLU 53 CO 0.17 1.37 0.06 0.52 -1.00 0.00 0.00 179.01 180.13 1kru h MET 54 N 0.12 0.15 -6.20 2.33 2.86 -0.83 -3.45 114.93 109.92 1kru h MET 54 Ca -0.25 -0.02 -0.55 0.00 -2.06 0.00 0.00 59.70 56.82 1kru h MET 54 Cb 2.12 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 33.73 1kru h MET 54 CO 0.24 0.17 -0.33 -0.06 1.06 0.00 0.00 176.91 177.99 1kru s PHE 55 N -5.91 3.48 0.28 -0.22 2.99 -1.19 -3.54 117.98 113.88 1kru s PHE 55 Ca -0.13 0.39 0.03 0.00 0.00 0.00 0.00 56.93 57.21 1kru s PHE 55 Cb 0.07 -1.89 0.42 0.00 0.00 0.00 0.00 43.02 41.62 1kru s PHE 55 CO 0.68 0.40 1.72 0.00 -0.00 0.00 0.00 175.22 178.02 1kru h ALA 56 N 2.22 1.11 -2.92 5.36 0.00 -1.44 -3.43 119.26 120.16 1kru h ALA 56 Ca -0.47 -0.34 -0.19 0.00 0.00 0.00 0.00 54.91 53.91 1kru h ALA 56 Cb 1.18 -0.12 -0.30 0.00 0.00 0.00 0.00 17.79 18.56 1kru h ALA 56 CO 0.69 0.55 -0.47 0.99 0.00 0.00 0.00 179.25 181.02 1kru s THR 57 N -4.49 -0.13 -0.05 0.00 2.01 -1.12 -5.01 115.64 106.85 1kru s THR 57 Ca -0.07 0.17 -0.02 0.00 0.31 0.00 0.00 61.69 62.08 1kru s THR 57 Cb 0.14 -0.43 0.03 0.00 0.01 0.00 0.00 72.50 72.25 1kru s THR 57 CO 0.79 0.07 0.04 -0.69 -0.69 0.00 0.00 174.62 174.14 1kru s VAL 58 N 1.55 0.02 0.92 3.82 1.01 -1.25 -0.07 120.40 126.40 1kru s VAL 58 Ca -0.07 0.35 -0.12 0.00 0.00 0.00 0.00 61.98 62.13 1kru s VAL 58 Cb -0.10 -0.25 0.14 0.00 0.00 0.00 0.00 36.38 36.17 1kru s VAL 58 CO -0.09 0.20 1.13 -0.83 0.00 0.00 0.00 175.10 175.51 1kru s GLY 59 N 2.11 1.57 0.67 4.51 0.00 -0.68 -4.99 107.32 110.51 1kru s GLY 59 Ca 0.05 -0.51 -0.15 0.00 0.00 0.00 0.00 44.72 44.11 1kru s GLY 59 CO -0.04 0.06 1.13 -1.83 0.00 0.00 0.00 173.10 172.42 1kru s GLU 60 N -5.25 2.66 -0.76 2.90 1.03 -1.26 -3.90 118.70 114.12 1kru s GLU 60 Ca 0.64 1.49 -0.05 0.00 0.03 0.00 0.00 54.97 57.08 1kru s GLU 60 Cb -0.15 -1.92 0.01 0.00 -0.80 0.00 0.00 34.13 31.26 1kru s GLU 60 CO 0.54 -1.38 0.66 -1.71 -1.33 0.00 0.00 175.26 172.04 1kru n ASN 61 N -2.45 -4.45 -4.85 0.83 2.85 -1.26 -1.91 115.26 104.02 1kru n ASN 61 Ca 0.11 -0.30 -0.37 0.00 -0.11 0.00 0.00 54.58 53.91 1kru n ASN 61 Cb 0.52 -3.02 -0.06 0.00 1.24 0.00 0.00 39.78 38.45 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 -3.18 3.72 -0.02 5.20 0.00 -1.25 -3.22 121.76 123.01 1kru s ALA 62 Ca 0.33 -0.31 -0.00 0.00 0.00 0.00 0.00 51.96 51.97 1kru s ALA 62 Cb -0.14 -2.31 0.03 0.00 0.00 0.00 0.00 23.12 20.70 1kru s ALA 62 CO 0.40 0.52 0.04 -0.46 0.00 0.00 0.00 175.76 176.27 1kru s TRP 63 N -1.18 0.00 -0.15 0.00 -0.11 0.63 -4.95 118.94 113.18 1kru s TRP 63 Ca 0.26 0.16 -0.02 0.00 1.22 0.00 0.00 56.10 57.72 1kru s TRP 63 Cb -0.15 -0.19 0.05 0.00 -1.50 0.00 0.00 33.47 31.67 1kru s TRP 63 CO 0.14 -0.09 0.01 0.08 -4.62 0.00 0.00 176.95 172.47 1kru s VAL 64 N 0.95 0.60 -0.36 5.86 1.01 -1.26 -1.02 120.40 126.18 1kru s VAL 64 Ca -0.08 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.25 1kru s VAL 64 Cb -0.11 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.34 1kru s VAL 64 CO -0.03 0.00 1.35 -0.70 0.00 0.00 0.00 175.10 175.72 1kru s GLU 65 N 1.85 3.76 0.73 2.72 2.56 -0.02 -4.98 118.70 125.31 1kru s GLU 65 Ca 0.01 1.08 -0.16 0.00 0.00 0.00 0.00 54.97 55.91 1kru s GLU 65 Cb -0.15 -3.95 0.02 0.00 2.00 0.00 0.00 34.13 32.05 1kru s GLU 65 CO -0.07 -1.33 1.07 -2.30 -0.56 0.00 0.00 175.26 172.07 1kru n PRO 66 N 7.68 0.53 -3.07 4.30 -0.02 -1.26 -3.86 135.00 139.30 1kru n PRO 66 Ca 0.15 0.24 -0.29 0.00 -2.02 0.00 0.00 63.50 61.58 1kru n PRO 66 Cb 0.47 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 1kru n PRO 66 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1kru s PRO 67 N -3.52 3.71 0.10 0.52 0.04 -1.26 -4.62 135.00 129.98 1kru s PRO 67 Ca 0.75 0.26 0.10 0.00 0.04 0.00 0.00 61.00 62.14 1kru s PRO 67 Cb -0.34 -2.51 -0.04 0.00 0.04 0.00 0.00 34.50 31.66 1kru s PRO 67 CO 0.49 0.08 -0.25 0.08 0.04 0.00 0.00 177.00 177.44 1kru s VAL 68 N -2.24 2.04 -0.02 -0.36 1.01 -1.26 -2.05 120.40 117.51 1kru s VAL 68 Ca 0.48 -1.60 0.01 0.00 0.00 0.00 0.00 61.98 60.86 1kru s VAL 68 Cb -0.10 -1.80 0.02 0.00 0.00 0.00 0.00 36.38 34.49 1kru s VAL 68 CO 0.31 0.09 -0.01 -0.31 0.00 0.00 0.00 175.10 175.18 1kru s TYR 69 N -1.04 0.30 0.29 5.22 1.51 -0.27 -4.95 117.35 118.41 1kru s TYR 69 Ca 0.11 -0.02 -0.13 0.00 -1.01 0.00 0.00 57.07 56.02 1kru s TYR 69 Cb -0.10 -0.33 0.01 0.00 -0.11 0.00 0.00 41.96 41.43 1kru s TYR 69 CO 0.05 -0.09 0.56 -0.59 -1.11 0.00 0.00 175.55 174.37 1kru s PHE 70 N 0.66 0.37 -0.14 2.71 -0.71 -1.26 -0.14 117.98 119.47 1kru s PHE 70 Ca -0.07 -0.77 -0.09 0.00 -1.04 0.00 0.00 56.93 54.96 1kru s PHE 70 Cb -0.10 0.32 -0.05 0.00 -1.21 0.00 0.00 43.02 41.98 1kru s PHE 70 CO -0.01 -1.15 -0.07 0.77 -1.34 0.00 0.00 175.22 173.42 1kru h SER 71 N 2.15 0.00 -4.27 1.98 0.02 -1.87 -3.47 113.55 108.10 1kru h SER 71 Ca -0.26 -0.08 -0.51 0.00 -0.84 0.00 0.00 61.79 60.10 1kru h SER 71 Cb 1.25 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 63.51 1kru h SER 71 CO 0.35 0.78 -0.82 -0.31 -1.14 0.00 0.00 176.83 175.69 1kru s TYR 72 N -2.10 1.40 -0.18 3.45 1.51 -1.26 -4.58 117.35 115.59 1kru s TYR 72 Ca -0.13 -0.29 0.17 0.00 -1.01 0.00 0.00 57.07 55.82 1kru s TYR 72 Cb 0.02 -0.88 -0.01 0.00 -0.11 0.00 0.00 41.96 40.98 1kru s TYR 72 CO 0.22 -0.00 1.14 0.78 -1.11 0.00 0.00 175.55 176.58 1kru h GLY 73 N 5.55 0.00 0.39 0.71 0.00 -1.86 -3.36 103.07 104.50 1kru h GLY 73 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1kru h GLY 73 CO 0.47 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.87 1kru n SER 74 N -2.99 0.00 -0.49 0.19 3.41 -1.23 -2.31 113.62 110.19 1kru n SER 74 Ca -0.03 -0.54 0.05 0.00 -0.26 0.00 0.00 58.87 58.09 1kru n SER 74 Cb 0.73 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.78 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 -0.70 2.38 -4.47 4.04 3.02 -1.26 -4.48 115.26 113.79 1kru n ASN 75 Ca 0.03 -1.74 -0.37 0.00 -0.03 0.00 0.00 54.58 52.47 1kru n ASN 75 Cb 0.01 -0.11 -0.12 0.00 -0.61 0.00 0.00 39.78 38.95 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 -0.92 4.57 -0.28 2.41 1.01 -0.98 -1.52 121.20 125.50 1kru s ILE 76 Ca 0.17 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.68 1kru s ILE 76 Cb 0.10 -3.18 0.06 0.00 0.01 0.00 0.00 42.46 39.44 1kru s ILE 76 CO 0.13 0.27 -0.07 -1.00 0.00 0.00 0.00 174.94 174.27 1kru s HIS 77 N 1.64 3.28 0.05 3.97 3.76 -0.42 -2.05 115.29 125.52 1kru s HIS 77 Ca 0.06 -2.19 0.03 0.00 -0.15 0.00 0.00 55.06 52.81 1kru s HIS 77 Cb -0.16 -2.01 -0.04 0.00 1.11 0.00 0.00 32.58 31.48 1kru s HIS 77 CO 0.06 -0.86 -0.00 0.42 -0.85 0.00 0.00 174.74 173.51 1kru s ILE 78 N 1.15 4.05 0.00 0.60 1.01 0.89 -0.59 121.20 128.31 1kru s ILE 78 Ca -0.07 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.75 1kru s ILE 78 Cb -0.20 -2.88 0.00 0.00 0.01 0.00 0.00 42.46 39.40 1kru s ILE 78 CO -0.04 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.74 1kru n GLY 79 N 0.93 1.27 3.91 6.18 0.00 -0.02 -1.69 105.19 115.77 1kru n GLY 79 Ca -0.12 -1.56 -0.27 0.00 0.00 0.00 0.00 46.02 44.06 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 1.64 3.57 -1.64 1.61 0.52 -1.26 -1.68 118.95 121.71 1kru s ARG 80 Ca 0.00 0.12 -0.14 0.00 -0.52 0.00 0.00 55.73 55.19 1kru s ARG 80 Cb 0.00 -2.46 0.12 0.00 0.52 0.00 0.00 34.95 33.13 1kru s ARG 80 CO 0.00 -0.07 0.63 0.09 0.02 0.00 0.00 175.30 175.97 1kru n ASN 81 N -1.90 -2.20 -4.73 0.23 5.03 -0.80 -0.42 115.26 110.47 1kru n ASN 81 Ca -0.00 -1.05 -0.41 0.00 0.87 0.00 0.00 54.58 53.98 1kru n ASN 81 Cb 0.55 -2.63 -0.04 0.00 -1.02 0.00 0.00 39.78 36.64 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 -3.52 3.71 -0.10 3.10 5.36 -1.20 -4.17 117.98 121.16 1kru s PHE 82 Ca 0.53 1.70 -0.02 0.00 -0.96 0.00 0.00 56.93 58.18 1kru s PHE 82 Cb -0.29 -3.16 0.04 0.00 -0.34 0.00 0.00 43.02 39.26 1kru s PHE 82 CO 0.93 -0.20 0.02 -0.47 -1.46 0.00 0.00 175.22 174.04 1kru s TYR 83 N -0.07 0.70 -0.04 10.12 5.04 -0.93 -0.27 117.35 131.90 1kru s TYR 83 Ca 0.48 -0.32 0.06 0.00 -2.44 0.00 0.00 57.07 54.86 1kru s TYR 83 Cb -0.26 -0.84 -0.01 0.00 0.35 0.00 0.00 41.96 41.20 1kru s TYR 83 CO 0.32 -0.40 -0.23 0.00 -1.34 0.00 0.00 175.55 173.90 1kru s ALA 84 N 1.96 2.00 0.65 3.97 0.00 -0.19 -0.42 121.76 129.74 1kru s ALA 84 Ca 0.04 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 51.00 1kru s ALA 84 Cb -0.14 -0.60 0.10 0.00 0.00 0.00 0.00 23.12 22.48 1kru s ALA 84 CO -0.06 0.41 0.65 -1.71 0.00 0.00 0.00 175.76 175.05 1kru n ASN 85 N 2.87 0.76 -4.41 0.00 2.85 -0.29 -0.84 115.26 116.19 1kru n ASN 85 Ca -0.17 -1.67 -0.41 0.00 -0.11 0.00 0.00 54.58 52.22 1kru n ASN 85 Cb 0.52 -0.43 0.01 0.00 1.24 0.00 0.00 39.78 41.12 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 -2.41 -0.97 -3.98 1.20 3.01 -1.25 -3.78 117.46 109.28 1kru n PHE 86 Ca 0.10 0.57 -0.26 0.00 1.01 0.00 0.00 57.45 58.88 1kru n PHE 86 Cb 0.37 -1.93 -0.03 0.00 -0.01 0.00 0.00 39.48 37.89 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 1.42 -0.23 -4.74 4.37 3.02 -0.87 -1.04 115.26 117.19 1kru n ASN 87 Ca 0.11 -1.02 -0.41 0.00 -0.03 0.00 0.00 54.58 53.23 1kru n ASN 87 Cb 0.41 -2.96 -0.05 0.00 -0.61 0.00 0.00 39.78 36.58 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 -6.99 4.53 -0.16 3.41 2.96 -1.22 -3.63 118.68 117.58 1kru s LEU 88 Ca 0.01 1.95 0.00 0.00 -0.22 0.00 0.00 54.13 55.86 1kru s LEU 88 Cb -0.00 -3.60 0.03 0.00 0.50 0.00 0.00 46.19 43.12 1kru s LEU 88 CO 0.90 -0.06 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.87 1kru s THR 89 N -0.41 1.41 -0.33 3.68 2.01 -0.07 -1.12 115.64 120.81 1kru s THR 89 Ca 0.46 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 61.81 1kru s THR 89 Cb -0.26 -1.43 0.09 0.00 0.01 0.00 0.00 72.50 70.90 1kru s THR 89 CO 0.32 0.30 0.03 -0.63 -0.69 0.00 0.00 174.62 173.95 1kru s ILE 90 N 1.53 2.39 -0.85 1.82 1.09 0.81 0.78 121.20 128.77 1kru s ILE 90 Ca 0.02 -2.12 -0.22 0.00 -1.10 0.00 0.00 60.65 57.23 1kru s ILE 90 Cb -0.14 -2.66 0.07 0.00 -1.06 0.00 0.00 42.46 38.67 1kru s ILE 90 CO -0.09 -0.46 1.20 -0.69 -0.10 0.00 0.00 174.94 174.80 1kru s VAL 91 N 0.99 4.21 -0.87 2.92 1.01 0.22 -3.45 120.40 125.43 1kru s VAL 91 Ca 0.06 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1kru s VAL 91 Cb -0.20 -4.86 0.30 0.00 0.00 0.00 0.00 36.38 31.63 1kru s VAL 91 CO -0.07 -1.68 1.29 -0.90 0.00 0.00 0.00 175.10 173.74 1kru n ASP 92 N 8.03 5.64 0.00 3.32 5.75 -1.26 -1.71 116.55 136.31 1kru n ASP 92 Ca 0.15 -3.54 0.09 0.00 -0.01 0.00 0.00 54.79 51.48 1kru n ASP 92 Cb 0.49 -0.96 0.52 0.00 -1.03 0.00 0.00 41.12 40.13 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 0.57 0.00 -3.47 -1.12 8.00 -1.26 -4.42 116.55 114.86 1kru n ASP 93 Ca 0.33 -0.88 -0.05 0.00 0.71 0.00 0.00 54.79 54.90 1kru n ASP 93 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 1kru n ASP 93 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1kru s TYR 94 N -2.00 -0.02 -0.22 1.24 5.04 -1.26 -5.01 117.35 115.12 1kru s TYR 94 Ca 0.26 -0.42 -0.41 0.00 -2.44 0.00 0.00 57.07 54.06 1kru s TYR 94 Cb 0.12 0.71 -0.19 0.00 0.35 0.00 0.00 41.96 42.95 1kru s TYR 94 CO 0.20 -1.08 1.25 2.41 -1.34 0.00 0.00 175.55 176.99 1kru n THR 95 N -0.55 0.00 -3.83 4.34 -1.04 -1.26 -4.86 114.28 107.08 1kru n THR 95 Ca -0.05 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.68 1kru n THR 95 Cb 0.60 -0.22 -0.16 0.00 -1.82 0.00 0.00 70.33 68.73 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 1.31 0.90 -0.18 12.58 1.01 -0.57 -2.59 120.40 132.85 1kru s VAL 96 Ca 0.92 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 62.25 1kru s VAL 96 Cb -1.30 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 33.86 1kru s VAL 96 CO 0.65 -0.03 -0.12 -0.89 0.00 0.00 0.00 175.10 174.71 1kru s THR 97 N 1.70 2.78 -0.17 3.92 2.01 -0.26 -1.31 115.64 124.32 1kru s THR 97 Ca -0.01 -0.71 -0.01 0.00 0.31 0.00 0.00 61.69 61.27 1kru s THR 97 Cb -0.16 -2.21 -0.01 0.00 0.01 0.00 0.00 72.50 70.13 1kru s THR 97 CO -0.07 0.49 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.60 1kru s ILE 98 N 1.17 2.96 0.00 1.82 1.01 0.24 -0.20 121.20 128.20 1kru s ILE 98 Ca 0.01 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.00 1kru s ILE 98 Cb -0.14 -2.28 0.00 0.00 0.01 0.00 0.00 42.46 40.05 1kru s ILE 98 CO -0.05 0.49 0.00 0.61 0.00 0.00 0.00 174.94 176.00 1kru n GLY 99 N 4.16 -1.91 3.79 6.18 0.00 0.66 -0.84 105.19 117.23 1kru n GLY 99 Ca -0.19 -1.50 -0.34 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.35 6.06 -1.48 1.61 1.01 -1.26 -3.50 116.67 117.76 1kru s ASP 100 Ca 0.00 1.95 -0.01 0.00 0.71 0.00 0.00 52.55 55.20 1kru s ASP 100 Cb 0.00 -2.56 0.01 0.00 1.01 0.00 0.00 42.92 41.38 1kru s ASP 100 CO 0.00 -0.98 0.28 0.59 0.21 0.00 0.00 175.17 175.28 1kru n ASN 101 N -1.32 0.01 -4.86 0.27 5.03 0.44 0.67 115.26 115.49 1kru n ASN 101 Ca 0.10 -1.11 -0.36 0.00 0.87 0.00 0.00 54.58 54.08 1kru n ASN 101 Cb 0.52 -2.49 -0.06 0.00 -1.02 0.00 0.00 39.78 36.74 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 -4.08 5.19 -0.13 2.41 1.01 -1.26 -3.27 120.40 120.29 1kru s VAL 102 Ca 0.05 0.45 0.02 0.00 0.00 0.00 0.00 61.98 62.50 1kru s VAL 102 Cb -0.03 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.76 1kru s VAL 102 CO 0.93 0.44 -0.20 -0.22 0.00 0.00 0.00 175.10 176.06 1kru s LEU 103 N -1.51 1.97 -0.17 3.92 0.20 -0.57 -2.18 118.68 120.34 1kru s LEU 103 Ca 0.26 -0.54 -0.00 0.00 0.69 0.00 0.00 54.13 54.54 1kru s LEU 103 Cb -0.14 -1.32 0.00 0.00 -0.43 0.00 0.00 46.19 44.31 1kru s LEU 103 CO 0.14 0.06 -0.15 -0.63 -0.29 0.00 0.00 176.35 175.48 1kru s ILE 104 N 0.85 2.55 0.98 6.68 1.01 0.44 -1.71 121.20 132.00 1kru s ILE 104 Ca -0.08 -0.79 -0.14 0.00 0.00 0.00 0.00 60.65 59.64 1kru s ILE 104 Cb -0.15 -2.09 0.18 0.00 0.01 0.00 0.00 42.46 40.41 1kru s ILE 104 CO -0.01 0.51 1.16 0.00 0.00 0.00 0.00 174.94 176.60 1kru s ALA 105 N 1.07 1.55 0.63 9.38 0.00 -0.48 -1.14 121.76 132.79 1kru s ALA 105 Ca -0.00 -0.71 -0.17 0.00 0.00 0.00 0.00 51.96 51.07 1kru s ALA 105 Cb -0.14 -2.97 -0.01 0.00 0.00 0.00 0.00 23.12 20.00 1kru s ALA 105 CO -0.05 -2.61 1.18 -2.14 0.00 0.00 0.00 175.76 172.14 1kru s PRO 106 N -5.38 2.78 -1.23 0.00 0.02 -1.26 -4.07 135.00 125.85 1kru s PRO 106 Ca 0.67 1.70 -0.05 0.00 0.02 0.00 0.00 61.00 63.34 1kru s PRO 106 Cb -0.12 -1.92 -0.01 0.00 0.02 0.00 0.00 34.50 32.47 1kru s PRO 106 CO 0.54 -1.33 0.76 0.09 -0.33 0.00 0.00 177.00 176.73 1kru n ASN 107 N -2.00 -2.80 -4.75 2.53 3.02 -0.20 -1.95 115.26 109.11 1kru n ASN 107 Ca 0.13 -0.84 -0.36 0.00 -0.03 0.00 0.00 54.58 53.48 1kru n ASN 107 Cb 0.50 -4.11 -0.08 0.00 -0.61 0.00 0.00 39.78 35.48 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 -3.58 4.78 -0.14 2.41 1.01 -1.24 -2.40 120.40 121.23 1kru s VAL 108 Ca 0.16 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.10 1kru s VAL 108 Cb -0.04 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.30 1kru s VAL 108 CO 0.81 0.60 -0.21 -0.89 0.00 0.00 0.00 175.10 175.41 1kru s THR 109 N -0.85 2.10 -0.14 3.92 2.01 -0.25 -0.89 115.64 121.55 1kru s THR 109 Ca 0.13 -0.96 0.00 0.00 0.31 0.00 0.00 61.69 61.17 1kru s THR 109 Cb -0.12 -1.84 -0.01 0.00 0.01 0.00 0.00 72.50 70.54 1kru s THR 109 CO 0.03 0.55 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.59 1kru s LEU 110 N 0.86 2.54 -0.05 4.42 1.02 0.23 -1.03 118.68 126.68 1kru s LEU 110 Ca -0.06 -0.42 -0.02 0.00 0.02 0.00 0.00 54.13 53.65 1kru s LEU 110 Cb -0.15 -1.57 0.03 0.00 0.02 0.00 0.00 46.19 44.52 1kru s LEU 110 CO -0.03 0.12 0.08 -0.55 0.02 0.00 0.00 176.35 175.99 1kru s SER 111 N 0.60 0.53 0.02 2.29 0.15 -0.80 0.70 113.70 117.19 1kru s SER 111 Ca -0.09 0.15 0.24 0.00 0.70 0.00 0.00 55.95 56.95 1kru s SER 111 Cb -0.16 0.01 0.37 0.00 -1.71 0.00 0.00 66.02 64.53 1kru s SER 111 CO 0.03 -0.19 1.31 1.33 1.20 0.00 0.00 173.24 176.92 1kru n VAL 112 N 4.78 0.07 -3.85 4.45 0.24 -0.70 -1.54 118.33 121.78 1kru n VAL 112 Ca -0.15 -0.06 -0.36 0.00 -2.04 0.00 0.00 64.34 61.73 1kru n VAL 112 Cb 0.50 0.26 -0.07 0.00 -1.47 0.00 0.00 33.84 33.06 1kru n VAL 112 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1kru s THR 113 N -3.04 5.34 0.10 3.34 2.01 -1.26 -0.85 115.64 121.27 1kru s THR 113 Ca 0.09 0.15 0.02 0.00 0.31 0.00 0.00 61.69 62.27 1kru s THR 113 Cb 0.16 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 1kru s THR 113 CO 0.73 0.52 -0.07 -0.83 -0.69 0.00 0.00 174.62 174.28 1kru s GLY 114 N -0.24 0.79 0.22 4.40 0.00 -0.75 -4.82 107.32 106.90 1kru s GLY 114 Ca 0.10 -1.31 0.08 0.00 0.00 0.00 0.00 44.72 43.59 1kru s GLY 114 CO 0.01 -1.41 0.01 0.30 0.00 0.00 0.00 173.10 172.00 1kru s HIS 115 N -3.35 2.79 0.29 1.90 3.76 -1.26 -1.57 115.29 117.85 1kru s HIS 115 Ca 0.10 -0.17 -0.29 0.00 -0.15 0.00 0.00 55.06 54.55 1kru s HIS 115 Cb 0.03 -1.30 -0.10 0.00 1.11 0.00 0.00 32.58 32.32 1kru s HIS 115 CO -0.04 0.56 1.39 -2.14 -0.85 0.00 0.00 174.74 173.66 1kru s PRO 116 N -3.29 4.29 0.13 8.40 0.02 -1.26 -4.93 135.00 138.36 1kru s PRO 116 Ca 0.29 2.29 -0.19 0.00 0.02 0.00 0.00 61.00 63.40 1kru s PRO 116 Cb -0.08 -3.09 -0.06 0.00 0.02 0.00 0.00 34.50 31.29 1kru s PRO 116 CO 0.19 -0.34 1.78 0.28 -0.33 0.00 0.00 177.00 178.59 1kru h VAL 117 N 3.31 1.06 -2.59 3.83 2.07 -1.98 -3.41 116.25 118.54 1kru h VAL 117 Ca -0.47 -0.10 -0.54 0.00 0.82 0.00 0.00 66.70 66.40 1kru h VAL 117 Cb 1.22 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1kru h VAL 117 CO 0.72 0.05 1.10 -2.28 0.02 0.00 0.00 177.57 177.18 1kru s HIS 118 N -6.17 1.91 0.11 1.57 5.65 -1.26 -4.83 115.29 112.27 1kru s HIS 118 Ca -0.13 0.12 0.22 0.00 0.25 0.00 0.00 55.06 55.52 1kru s HIS 118 Cb 0.09 -3.96 1.20 0.00 -1.18 0.00 0.00 32.58 28.72 1kru s HIS 118 CO 0.70 -4.07 1.63 1.12 -0.65 0.00 0.00 174.74 173.47 1kru h HIS 119 N 9.60 0.00 0.00 3.88 -0.00 -1.98 -0.40 115.15 126.25 1kru h HIS 119 Ca -0.41 0.00 -0.16 0.00 -0.00 0.00 0.00 60.37 59.80 1kru h HIS 119 Cb 1.19 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.57 1kru h HIS 119 CO 0.89 0.00 -0.75 1.49 -0.00 0.00 0.00 177.93 179.56 1kru h GLU 120 N 0.00 0.00 -0.01 5.12 4.81 -1.92 -3.23 114.58 119.35 1kru h GLU 120 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1kru h GLU 120 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1kru h GLU 120 CO 0.00 0.75 -0.00 1.28 -0.73 0.00 0.00 179.01 180.31 1kru n LEU 121 N -3.32 0.65 -1.58 1.64 4.32 -0.16 -3.95 117.00 114.60 1kru n LEU 121 Ca 0.01 -0.22 0.02 0.00 -0.02 0.00 0.00 56.01 55.80 1kru n LEU 121 Cb 0.82 -0.00 0.06 0.00 -1.62 0.00 0.00 43.42 42.69 1kru n LEU 121 CO 0.44 0.11 0.11 -2.11 -1.22 0.00 0.00 177.39 174.72 1kru n ARG 122 N -0.49 0.81 -0.24 3.23 1.85 -1.22 -4.46 116.66 116.14 1kru n ARG 122 Ca 0.22 -2.64 0.08 0.00 -1.00 0.00 0.00 57.85 54.51 1kru n ARG 122 Cb 0.22 -0.72 0.33 0.00 -1.05 0.00 0.00 32.46 31.24 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 1.34 0.77 -0.68 2.89 1.57 -1.68 -2.37 116.57 118.41 1kru h LYS 123 Ca -0.13 -0.05 -0.44 0.00 -1.87 0.00 0.00 60.65 58.16 1kru h LYS 123 Cb 1.60 -0.17 -0.26 0.00 0.08 0.00 0.00 32.23 33.47 1kru h LYS 123 CO 0.13 0.51 0.02 0.09 -0.57 0.00 0.00 179.45 179.63 1kru n ASN 124 N -4.51 4.58 -2.56 0.86 4.13 -1.26 -4.93 115.26 111.57 1kru n ASN 124 Ca 0.14 -3.77 -0.17 0.00 1.68 0.00 0.00 54.58 52.46 1kru n ASN 124 Cb 0.31 -0.66 0.04 0.00 -1.54 0.00 0.00 39.78 37.94 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 -0.96 -0.20 3.74 7.41 0.00 -0.89 -4.96 105.19 109.33 1kru n GLY 125 Ca 0.46 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 46.07 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 -5.68 2.94 0.13 1.61 8.01 -1.26 -4.76 118.70 119.69 1kru s GLU 126 Ca 0.33 2.14 -0.12 0.00 0.01 0.00 0.00 54.97 57.33 1kru s GLU 126 Cb -0.14 -2.10 0.01 0.00 -4.31 0.00 0.00 34.13 27.59 1kru s GLU 126 CO 0.41 -1.32 0.32 0.00 0.01 0.00 0.00 175.26 174.68 1kru s MET 127 N -3.09 1.06 0.07 1.61 0.23 -0.12 -4.45 119.30 114.62 1kru s MET 127 Ca 0.76 -0.92 0.05 0.00 -1.03 0.00 0.00 55.69 54.55 1kru s MET 127 Cb -0.39 0.42 -0.03 0.00 -1.53 0.00 0.00 34.83 33.30 1kru s MET 127 CO 0.44 -0.40 -0.13 1.52 -2.03 0.00 0.00 175.02 174.42 1kru s TYR 128 N -3.87 1.16 -0.02 3.16 -0.85 -0.61 -1.40 117.35 114.92 1kru s TYR 128 Ca 0.08 -0.47 0.03 0.00 -0.52 0.00 0.00 57.07 56.18 1kru s TYR 128 Cb 0.03 -0.66 -0.00 0.00 0.38 0.00 0.00 41.96 41.71 1kru s TYR 128 CO -0.08 0.04 -0.10 -1.12 -1.52 0.00 0.00 175.55 172.78 1kru s SER 129 N -1.77 1.30 -0.03 -0.18 0.01 -1.26 -1.81 113.70 109.97 1kru s SER 129 Ca -0.02 -0.20 -0.01 0.00 1.31 0.00 0.00 55.95 57.03 1kru s SER 129 Cb -0.10 -0.28 0.03 0.00 0.21 0.00 0.00 66.02 65.88 1kru s SER 129 CO 0.02 0.09 0.04 -0.36 0.41 0.00 0.00 173.24 173.45 1kru s PHE 130 N 0.03 0.07 0.27 2.43 0.40 -0.03 -4.64 117.98 116.53 1kru s PHE 130 Ca -0.01 0.17 -0.28 0.00 -0.60 0.00 0.00 56.93 56.21 1kru s PHE 130 Cb -0.07 -0.37 -0.14 0.00 0.51 0.00 0.00 43.02 42.95 1kru s PHE 130 CO 0.00 -0.14 0.96 -2.30 0.70 0.00 0.00 175.22 174.44 1kru n PRO 131 N 4.69 1.19 -4.62 0.24 -0.02 -1.26 -1.12 135.00 134.10 1kru n PRO 131 Ca -0.17 0.42 -0.33 0.00 -2.02 0.00 0.00 63.50 61.40 1kru n PRO 131 Cb 0.50 -1.75 -0.13 0.00 -0.02 0.00 0.00 33.50 32.10 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 -1.01 3.42 -0.15 4.25 1.01 -1.07 -3.25 121.20 124.41 1kru s ILE 132 Ca 0.60 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.73 1kru s ILE 132 Cb -0.73 -2.46 0.02 0.00 0.01 0.00 0.00 42.46 39.29 1kru s ILE 132 CO 0.59 0.51 -0.16 -0.89 0.00 0.00 0.00 174.94 174.99 1kru s THR 133 N 0.31 1.71 -0.27 2.92 2.01 -0.63 -1.10 115.64 120.59 1kru s THR 133 Ca -0.07 -0.73 -0.04 0.00 0.31 0.00 0.00 61.69 61.15 1kru s THR 133 Cb -0.15 -1.58 0.02 0.00 0.01 0.00 0.00 72.50 70.80 1kru s THR 133 CO 0.04 0.48 0.00 -0.63 -0.69 0.00 0.00 174.62 173.83 1kru s ILE 134 N 1.32 3.39 0.18 1.82 1.01 0.72 -0.91 121.20 128.74 1kru s ILE 134 Ca 0.02 -0.84 -0.03 0.00 0.00 0.00 0.00 60.65 59.80 1kru s ILE 134 Cb -0.13 -2.73 0.05 0.00 0.01 0.00 0.00 42.46 39.65 1kru s ILE 134 CO -0.09 0.16 0.12 0.61 0.00 0.00 0.00 174.94 175.73 1kru n GLY 135 N 4.76 -3.49 3.83 6.18 0.00 -0.24 -0.24 105.19 115.98 1kru n GLY 135 Ca -0.16 -1.28 -0.33 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.09 6.89 -1.50 1.61 0.01 -1.26 -3.55 114.94 115.06 1kru s ASN 136 Ca 0.09 1.52 -0.09 0.00 -0.71 0.00 0.00 52.86 53.66 1kru s ASN 136 Cb -0.01 -2.47 0.07 0.00 0.41 0.00 0.00 41.25 39.25 1kru s ASN 136 CO 0.07 -0.27 0.76 0.59 -1.51 0.00 0.00 177.10 176.74 1kru n ASN 137 N -0.43 -2.78 -4.91 -1.22 5.03 0.21 0.03 115.26 111.20 1kru n ASN 137 Ca 0.05 -0.89 -0.32 0.00 0.87 0.00 0.00 54.58 54.29 1kru n ASN 137 Cb 0.53 -3.47 -0.04 0.00 -1.02 0.00 0.00 39.78 35.78 1kru n ASN 137 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1kru s VAL 138 N -3.52 5.27 -0.16 2.41 1.01 -1.25 -3.72 120.40 120.44 1kru s VAL 138 Ca 0.41 -0.12 -0.00 0.00 0.00 0.00 0.00 61.98 62.27 1kru s VAL 138 Cb -0.21 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.58 1kru s VAL 138 CO 0.86 0.11 -0.08 0.86 0.00 0.00 0.00 175.10 176.86 1kru s TRP 139 N -1.56 1.89 -0.24 5.22 -0.00 -0.91 -1.51 118.94 121.83 1kru s TRP 139 Ca 0.37 -1.17 -0.08 0.00 -0.00 0.00 0.00 56.10 55.23 1kru s TRP 139 Cb -0.13 -1.41 -0.03 0.00 -0.00 0.00 0.00 33.47 31.90 1kru s TRP 139 CO 0.25 -0.64 0.08 0.42 -0.00 0.00 0.00 176.95 177.06 1kru s ILE 140 N 1.57 4.47 1.08 5.86 1.01 -0.70 -0.37 121.20 134.13 1kru s ILE 140 Ca 0.01 -0.12 -0.16 0.00 0.00 0.00 0.00 60.65 60.38 1kru s ILE 140 Cb -0.15 -3.08 0.23 0.00 0.01 0.00 0.00 42.46 39.47 1kru s ILE 140 CO -0.08 0.35 1.14 -0.83 0.00 0.00 0.00 174.94 175.52 1kru s GLY 141 N 1.39 1.60 0.48 6.18 0.00 0.01 -1.38 107.32 115.61 1kru s GLY 141 Ca 0.05 -0.79 -0.24 0.00 0.00 0.00 0.00 44.72 43.74 1kru s GLY 141 CO 0.04 -0.03 1.39 -0.56 0.00 0.00 0.00 173.10 173.94 1kru s SER 142 N -3.95 5.68 -1.60 1.64 0.01 -1.26 -3.33 113.70 110.89 1kru s SER 142 Ca 0.69 2.84 -0.01 0.00 1.31 0.00 0.00 55.95 60.78 1kru s SER 142 Cb -0.12 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.47 1kru s SER 142 CO 0.56 -1.30 0.08 1.41 0.41 0.00 0.00 173.24 174.40 1kru n HIS 143 N -0.48 -1.22 -2.99 2.43 8.25 -0.82 0.93 115.22 121.32 1kru n HIS 143 Ca 0.07 0.07 -0.32 0.00 -0.26 0.00 0.00 57.72 57.28 1kru n HIS 143 Cb 0.43 -3.76 -0.06 0.00 1.12 0.00 0.00 29.99 27.72 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 -2.97 4.61 -0.16 1.59 1.01 -1.21 -3.85 120.40 119.43 1kru s VAL 144 Ca 0.04 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.08 1kru s VAL 144 Cb -0.02 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.77 1kru s VAL 144 CO 0.05 -0.28 -0.09 -0.69 0.00 0.00 0.00 175.10 174.10 1kru s VAL 145 N -2.11 1.33 -0.26 2.92 1.01 -0.45 -1.08 120.40 121.76 1kru s VAL 145 Ca 0.56 -0.68 -0.08 0.00 0.00 0.00 0.00 61.98 61.78 1kru s VAL 145 Cb -0.10 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1kru s VAL 145 CO 0.18 0.24 0.10 -0.63 0.00 0.00 0.00 175.10 174.99 1kru s ILE 146 N 1.55 4.60 0.84 2.22 1.01 -0.19 -0.20 121.20 131.03 1kru s ILE 146 Ca 0.02 -0.07 -0.12 0.00 0.00 0.00 0.00 60.65 60.47 1kru s ILE 146 Cb -0.15 -3.16 0.11 0.00 0.01 0.00 0.00 42.46 39.27 1kru s ILE 146 CO -0.08 0.32 1.20 0.20 0.00 0.00 0.00 174.94 176.57 1kru s ASN 147 N 1.61 4.17 0.63 3.58 0.02 0.06 -1.91 114.94 123.09 1kru s ASN 147 Ca 0.06 0.59 -0.18 0.00 -1.02 0.00 0.00 52.86 52.31 1kru s ASN 147 Cb -0.15 -0.98 -0.02 0.00 0.02 0.00 0.00 41.25 40.12 1kru s ASN 147 CO 0.06 -2.09 1.24 -2.65 0.02 0.00 0.00 177.10 173.67 1kru n PRO 148 N -3.39 1.13 -1.19 -0.60 -0.02 -0.59 -3.30 135.00 127.04 1kru n PRO 148 Ca 0.10 0.44 -0.07 0.00 -2.02 0.00 0.00 63.50 61.95 1kru n PRO 148 Cb 0.61 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 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 0.97 0.65 3.82 -1.23 0.00 -0.27 -4.96 105.19 104.17 1kru n GLY 149 Ca 0.15 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.59 4.51 -0.14 1.61 1.01 -1.21 -4.89 120.40 119.70 1kru s VAL 150 Ca 0.00 1.28 -0.01 0.00 0.00 0.00 0.00 61.98 63.25 1kru s VAL 150 Cb 0.00 -3.72 0.04 0.00 0.00 0.00 0.00 36.38 32.70 1kru s VAL 150 CO 0.00 -0.09 -0.03 -0.89 0.00 0.00 0.00 175.10 174.09 1kru s THR 151 N -1.88 0.86 -0.36 3.92 2.01 -1.26 -1.61 115.64 117.33 1kru s THR 151 Ca 0.53 -0.40 -0.19 0.00 0.31 0.00 0.00 61.69 61.94 1kru s THR 151 Cb -0.13 -1.05 -0.00 0.00 0.01 0.00 0.00 72.50 71.33 1kru s THR 151 CO 0.18 0.15 0.54 -0.63 -0.69 0.00 0.00 174.62 174.17 1kru s ILE 152 N 1.75 4.98 0.90 1.82 -1.09 -0.09 -0.72 121.20 128.75 1kru s ILE 152 Ca 0.02 0.37 -0.11 0.00 -2.23 0.00 0.00 60.65 58.70 1kru s ILE 152 Cb -0.14 -4.00 0.14 0.00 -1.58 0.00 0.00 42.46 36.88 1kru s ILE 152 CO -0.07 -0.25 1.16 -0.83 -1.23 0.00 0.00 174.94 173.71 1kru s GLY 153 N 1.78 1.76 0.69 6.18 0.00 0.13 -1.08 107.32 116.78 1kru s GLY 153 Ca 0.20 0.64 -0.17 0.00 0.00 0.00 0.00 44.72 45.39 1kru s GLY 153 CO 0.14 1.05 0.97 1.22 0.00 0.00 0.00 173.10 176.48 1kru n ASP 154 N -4.10 0.57 0.00 1.64 10.43 -1.26 -3.18 116.55 120.64 1kru n ASP 154 Ca 0.12 0.70 0.00 0.00 2.57 0.00 0.00 54.79 58.18 1kru n ASP 154 Cb 0.52 -1.41 0.00 0.00 1.84 0.00 0.00 41.12 42.07 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 -1.45 0.00 -4.71 -2.24 5.03 0.10 -1.23 115.26 110.75 1kru n ASN 155 Ca 0.13 0.00 -0.30 0.00 0.87 0.00 0.00 54.58 55.29 1kru n ASN 155 Cb 0.49 -2.08 0.14 0.00 -1.02 0.00 0.00 39.78 37.31 1kru n ASN 155 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1kru s SER 156 N -1.98 3.42 -0.00 6.41 0.01 -1.19 -4.52 113.70 115.84 1kru s SER 156 Ca 0.00 1.48 0.05 0.00 1.31 0.00 0.00 55.95 58.79 1kru s SER 156 Cb 0.00 -2.15 -0.01 0.00 0.21 0.00 0.00 66.02 64.06 1kru s SER 156 CO 0.00 -2.67 -0.16 -0.69 0.41 0.00 0.00 173.24 170.12 1kru s VAL 157 N -2.93 1.30 -0.24 3.43 1.01 -0.55 -2.14 120.40 120.27 1kru s VAL 157 Ca 0.64 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 1kru s VAL 157 Cb -0.18 -1.09 0.02 0.00 0.00 0.00 0.00 36.38 35.13 1kru s VAL 157 CO 0.57 0.31 -0.07 -0.63 0.00 0.00 0.00 175.10 175.28 1kru s ILE 158 N -0.47 2.83 0.57 2.22 -1.09 0.51 -1.88 121.20 123.88 1kru s ILE 158 Ca 0.06 -1.01 -0.19 0.00 -2.23 0.00 0.00 60.65 57.28 1kru s ILE 158 Cb -0.07 -2.42 -0.06 0.00 -1.58 0.00 0.00 42.46 38.33 1kru s ILE 158 CO -0.00 0.23 0.90 0.61 -1.23 0.00 0.00 174.94 175.44 1kru n GLY 159 N 4.66 -0.50 3.75 6.18 0.00 0.18 -0.81 105.19 118.66 1kru n GLY 159 Ca -0.17 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.51 2.96 0.00 4.61 0.00 -1.26 -2.84 121.76 123.72 1kru s ALA 160 Ca 0.73 1.41 0.00 0.00 0.00 0.00 0.00 51.96 54.09 1kru s ALA 160 Cb -0.44 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.09 1kru s ALA 160 CO 0.50 -1.35 0.00 0.41 0.00 0.00 0.00 175.76 175.32 1kru n GLY 161 N 0.68 1.60 3.81 0.00 0.00 0.26 -4.80 105.19 106.74 1kru n GLY 161 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.21 6.41 -0.41 1.61 1.04 -1.13 -4.80 113.70 113.21 1kru s SER 162 Ca 0.00 1.77 -0.06 0.00 0.48 0.00 0.00 55.95 58.14 1kru s SER 162 Cb 0.00 -2.54 0.09 0.00 0.10 0.00 0.00 66.02 63.67 1kru s SER 162 CO 0.00 -0.74 0.23 -0.63 0.98 0.00 0.00 173.24 173.08 1kru s ILE 163 N -2.27 3.81 -0.43 -1.02 -1.09 -1.02 -1.34 121.20 117.84 1kru s ILE 163 Ca 0.63 -1.65 -0.25 0.00 -2.23 0.00 0.00 60.65 57.16 1kru s ILE 163 Cb -0.13 -3.42 0.02 0.00 -1.58 0.00 0.00 42.46 37.35 1kru s ILE 163 CO 0.25 -0.55 0.89 -0.69 -1.23 0.00 0.00 174.94 173.60 1kru s VAL 164 N 1.31 4.55 -0.30 2.92 1.01 0.72 -1.34 120.40 129.27 1kru s VAL 164 Ca 0.04 0.80 0.06 0.00 0.00 0.00 0.00 61.98 62.88 1kru s VAL 164 Cb -0.23 -4.37 -0.06 0.00 0.00 0.00 0.00 36.38 31.72 1kru s VAL 164 CO -0.01 -0.71 0.27 0.35 0.00 0.00 0.00 175.10 175.01 1kru n THR 165 N 6.21 0.00 -4.28 3.92 -2.24 -1.26 -0.76 114.28 115.87 1kru n THR 165 Ca 0.05 -0.37 -0.17 0.00 -2.27 0.00 0.00 64.05 61.30 1kru n THR 165 Cb 0.48 1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 69.62 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 -1.51 1.14 0.51 -0.78 1.02 -1.26 -4.93 119.74 113.93 1kru s LYS 166 Ca 0.02 -1.44 -0.22 0.00 0.02 0.00 0.00 55.97 54.35 1kru s LYS 166 Cb 0.04 -0.87 -0.07 0.00 -0.52 0.00 0.00 37.83 36.41 1kru s LYS 166 CO 0.23 0.14 1.09 -0.25 -0.92 0.00 0.00 175.35 175.64 1kru n ASP 167 N -0.07 1.51 -4.22 2.83 9.92 -1.26 -4.68 116.55 120.58 1kru n ASP 167 Ca -0.11 0.95 -0.33 0.00 -0.53 0.00 0.00 54.79 54.78 1kru n ASP 167 Cb 0.60 -1.43 -0.16 0.00 -0.64 0.00 0.00 41.12 39.49 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 -1.35 2.30 0.98 0.53 -1.09 0.10 -4.95 121.20 117.71 1kru s ILE 168 Ca 0.69 -0.91 -0.12 0.00 -2.23 0.00 0.00 60.65 58.08 1kru s ILE 168 Cb -0.47 -1.93 0.18 0.00 -1.58 0.00 0.00 42.46 38.65 1kru s ILE 168 CO 0.52 0.54 1.08 -2.16 -1.23 0.00 0.00 174.94 173.70 1kru s PRO 169 N 0.69 0.61 0.68 2.79 0.04 -1.26 0.22 135.00 138.76 1kru s PRO 169 Ca -0.09 0.76 -0.11 0.00 0.04 0.00 0.00 61.00 61.60 1kru s PRO 169 Cb -0.16 -1.74 0.01 0.00 0.04 0.00 0.00 34.50 32.65 1kru s PRO 169 CO 0.01 -2.67 1.07 -1.25 0.04 0.00 0.00 177.00 174.20 1kru s PRO 170 N -4.85 2.93 -1.51 0.56 0.04 -1.26 -3.92 135.00 126.99 1kru s PRO 170 Ca 0.65 0.43 -0.05 0.00 0.04 0.00 0.00 61.00 62.07 1kru s PRO 170 Cb -0.20 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.31 1kru s PRO 170 CO 0.58 -0.95 0.57 0.09 0.04 0.00 0.00 177.00 177.33 1kru n ASN 171 N -2.93 -5.66 -4.36 6.66 4.13 -0.37 -4.89 115.26 107.85 1kru n ASN 171 Ca 0.06 -0.29 -0.22 0.00 1.68 0.00 0.00 54.58 55.82 1kru n ASN 171 Cb 0.57 -4.59 -0.10 0.00 -1.54 0.00 0.00 39.78 34.12 1kru n ASN 171 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1kru s VAL 172 N -3.12 0.95 -0.26 2.41 -7.23 -1.26 -1.21 120.40 110.67 1kru s VAL 172 Ca 0.31 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.48 1kru s VAL 172 Cb -0.14 -2.67 0.04 0.00 0.56 0.00 0.00 36.38 34.17 1kru s VAL 172 CO 0.38 0.00 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.42 1kru s VAL 173 N -3.36 2.71 0.13 1.32 1.01 -0.34 -1.49 120.40 120.38 1kru s VAL 173 Ca 0.34 -1.28 0.09 0.00 0.00 0.00 0.00 61.98 61.13 1kru s VAL 173 Cb 0.07 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1kru s VAL 173 CO 0.15 0.06 -0.16 0.00 0.00 0.00 0.00 175.10 175.15 1kru s ALA 174 N 1.25 2.75 0.13 5.51 0.00 -0.79 0.10 121.76 130.71 1kru s ALA 174 Ca -0.03 -1.37 -0.26 0.00 0.00 0.00 0.00 51.96 50.30 1kru s ALA 174 Cb -0.18 -0.68 0.07 0.00 0.00 0.00 0.00 23.12 22.33 1kru s ALA 174 CO -0.04 0.57 0.98 0.00 0.00 0.00 0.00 175.76 177.27 1kru s ALA 175 N -1.27 -1.71 0.00 0.00 0.00 -0.12 0.50 121.76 119.16 1kru s ALA 175 Ca 0.20 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.39 1kru s ALA 175 Cb -0.10 0.60 0.00 0.00 0.00 0.00 0.00 23.12 23.62 1kru s ALA 175 CO 0.11 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.27 1kru n GLY 176 N -0.45 1.59 2.82 0.00 0.00 -1.26 -0.96 105.19 106.92 1kru n GLY 176 Ca -0.06 -2.07 -0.30 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.87 1.40 0.84 1.61 1.01 -1.26 -1.57 120.40 120.56 1kru s VAL 177 Ca 0.00 -1.87 -0.12 0.00 0.00 0.00 0.00 61.98 59.99 1kru s VAL 177 Cb 0.00 -2.04 0.10 0.00 0.00 0.00 0.00 36.38 34.44 1kru s VAL 177 CO 0.00 -0.68 1.15 -2.16 0.00 0.00 0.00 175.10 173.41 1kru s PRO 178 N 1.21 1.74 0.09 2.72 0.04 -1.26 -5.04 135.00 134.49 1kru s PRO 178 Ca 0.11 0.24 -0.31 0.00 0.04 0.00 0.00 61.00 61.09 1kru s PRO 178 Cb -0.19 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.37 1kru s PRO 178 CO -0.17 -1.78 1.27 0.00 0.04 0.00 0.00 177.00 176.37 1kru s ARG 180 N 0.95 0.81 -0.01 0.00 1.70 -0.14 -4.81 118.95 117.45 1kru s ARG 180 Ca 0.60 -1.08 -0.30 0.00 -0.47 0.00 0.00 55.73 54.48 1kru s ARG 180 Cb -0.32 -0.57 -0.05 0.00 -0.57 0.00 0.00 34.95 33.44 1kru s ARG 180 CO 0.30 0.10 1.39 0.08 -1.08 0.00 0.00 175.30 176.09 1kru s VAL 181 N -2.12 3.77 -0.13 4.99 1.01 -1.26 -0.95 120.40 125.70 1kru s VAL 181 Ca 0.03 1.13 0.19 0.00 0.00 0.00 0.00 61.98 63.33 1kru s VAL 181 Cb -0.05 -3.73 -0.26 0.00 0.00 0.00 0.00 36.38 32.34 1kru s VAL 181 CO 0.01 -0.01 0.31 2.30 0.00 0.00 0.00 175.10 177.71 1kru n ILE 182 N 4.72 0.96 -3.61 2.22 -5.35 0.11 -4.95 119.36 113.47 1kru n ILE 182 Ca 0.13 -0.73 -0.02 0.00 -0.27 0.00 0.00 62.75 61.87 1kru n ILE 182 Cb 0.44 -0.38 -0.01 0.00 -1.74 0.00 0.00 39.64 37.95 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 -2.86 0.33 0.03 6.28 1.70 -1.16 -5.01 118.95 118.26 1kru s ARG 183 Ca -0.08 -0.15 -0.10 0.00 -0.47 0.00 0.00 55.73 54.92 1kru s ARG 183 Cb 0.09 0.13 -0.05 0.00 -0.57 0.00 0.00 34.95 34.54 1kru s ARG 183 CO 0.85 -0.15 0.35 -2.00 -1.08 0.00 0.00 175.30 173.28 1kru s GLU 184 N -2.39 3.74 -0.33 3.89 2.12 -1.26 -1.20 118.70 123.26 1kru s GLU 184 Ca 0.12 0.16 -0.28 0.00 0.36 0.00 0.00 54.97 55.32 1kru s GLU 184 Cb 0.02 -3.08 0.02 0.00 0.26 0.00 0.00 34.13 31.34 1kru s GLU 184 CO -0.04 0.63 1.03 0.42 -0.54 0.00 0.00 175.26 176.76 1kru s ILE 185 N -1.27 4.54 0.00 -3.70 1.01 -0.35 -4.90 121.20 116.53 1kru s ILE 185 Ca 0.28 1.62 0.00 0.00 0.00 0.00 0.00 60.65 62.55 1kru s ILE 185 Cb -0.14 -4.38 0.00 0.00 0.01 0.00 0.00 42.46 37.94 1kru s ILE 185 CO 0.15 -0.47 0.00 -0.46 0.00 0.00 0.00 174.94 174.16 1kru n ASN 186 N 6.81 1.06 0.17 3.58 2.04 -1.26 -4.94 115.26 122.73 1kru n ASN 186 Ca 0.11 0.00 0.13 0.00 -0.44 0.00 0.00 54.58 54.37 1kru n ASN 186 Cb 0.47 0.00 0.31 0.00 -2.53 0.00 0.00 39.78 38.04 1kru n ASN 186 CO 0.00 0.00 0.00 0.44 -0.44 0.00 0.00 177.26 177.26 1kru h ASP 187 N 0.00 0.00 0.29 0.53 3.32 -2.01 -3.02 116.42 115.53 1kru h ASP 187 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1kru h ASP 187 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1kru h ASP 187 CO 0.00 0.00 -0.26 -0.09 -1.72 0.00 0.00 179.24 177.17 1kru h ARG 188 N 0.00 0.00 0.00 3.56 1.12 -1.96 -1.51 114.38 115.59 1kru h ARG 188 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1kru h ARG 188 Cb 0.83 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.79 1kru h ARG 188 CO 0.00 0.26 0.00 -0.25 -3.11 0.00 0.00 179.97 176.87 1kru n ASP 189 N -4.16 0.00 0.18 -3.80 8.00 -1.14 -1.28 116.55 114.34 1kru n ASP 189 Ca -0.02 0.34 0.12 0.00 0.71 0.00 0.00 54.79 55.94 1kru n ASP 189 Cb 0.32 -0.44 0.20 0.00 -0.02 0.00 0.00 41.12 41.17 1kru n ASP 189 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1kru h LYS 190 N 0.00 0.00 0.00 -1.24 1.57 -1.38 -3.38 116.57 112.14 1kru h LYS 190 Ca 0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 1kru h LYS 190 Cb 0.42 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 1kru h LYS 190 CO 0.00 0.00 -1.72 0.72 -0.57 0.00 0.00 179.45 177.88 1kru n HIS 191 N -2.84 0.00 -3.37 -1.35 8.25 -1.05 -4.89 115.22 109.97 1kru n HIS 191 Ca 0.04 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.05 1kru n HIS 191 Cb 0.51 -0.49 -0.07 0.00 1.12 0.00 0.00 29.99 31.06 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 -2.25 3.24 -0.13 4.41 1.51 -0.41 0.48 117.35 124.20 1kru s TYR 192 Ca -0.17 -0.94 0.17 0.00 -1.01 0.00 0.00 57.07 55.12 1kru s TYR 192 Cb 0.05 -3.24 -0.12 0.00 -0.11 0.00 0.00 41.96 38.54 1kru s TYR 192 CO 0.29 -0.83 0.85 0.10 -1.11 0.00 0.00 175.55 174.85 1kru h TYR 193 N 8.78 0.00 -2.40 2.71 -0.00 -1.77 -3.41 116.97 120.88 1kru h TYR 193 Ca -0.29 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.39 1kru h TYR 193 Cb 1.11 0.00 -0.26 0.00 0.00 0.00 0.00 36.73 37.58 1kru h TYR 193 CO 0.65 0.54 -0.31 0.12 -0.00 0.00 0.00 178.16 179.16 1kru s PHE 194 N -2.95 -0.91 0.00 0.10 5.36 -1.24 -5.06 117.98 113.27 1kru s PHE 194 Ca -0.03 1.70 0.00 0.00 -0.96 0.00 0.00 56.93 57.65 1kru s PHE 194 Cb 0.09 0.42 0.00 0.00 -0.34 0.00 0.00 43.02 43.19 1kru s PHE 194 CO 0.81 -0.52 0.00 1.63 -1.46 0.00 0.00 175.22 175.68 1kru n LYS 195 N 5.33 0.00 -1.17 10.12 5.02 -1.26 -0.68 118.16 135.52 1kru n LYS 195 Ca -0.10 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 55.98 1kru n LYS 195 Cb 0.50 0.00 0.17 0.00 -0.02 0.00 0.00 35.03 35.68 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 4.40 3.81 -4.44 4.39 5.68 -1.26 -4.92 116.55 124.21 1kru n ASP 196 Ca 0.00 -3.66 -0.34 0.00 -0.50 0.00 0.00 54.79 50.29 1kru n ASP 196 Cb 0.00 -0.81 -0.13 0.00 -1.14 0.00 0.00 41.12 39.05 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 -3.34 3.00 -0.05 2.11 1.51 0.15 -5.10 117.35 115.63 1kru s TYR 197 Ca 0.55 -0.49 -0.01 0.00 -1.01 0.00 0.00 57.07 56.10 1kru s TYR 197 Cb 0.47 -2.02 -0.04 0.00 -0.11 0.00 0.00 41.96 40.26 1kru s TYR 197 CO 0.08 -0.22 0.04 -1.59 -1.11 0.00 0.00 175.55 172.75 1kru s LYS 198 N 0.80 3.02 -1.00 -0.62 0.00 -1.26 -2.97 119.74 117.70 1kru s LYS 198 Ca -0.01 -0.44 -0.23 0.00 0.00 0.00 0.00 55.97 55.30 1kru s LYS 198 Cb -0.14 -2.83 0.06 0.00 0.00 0.00 0.00 37.83 34.91 1kru s LYS 198 CO 0.02 0.68 1.42 0.54 0.00 0.00 0.00 175.35 178.01 1kru s VAL 199 N -1.02 3.97 -0.21 1.79 0.11 0.18 -4.87 120.40 120.35 1kru s VAL 199 Ca 0.17 -0.78 -0.14 0.00 -2.93 0.00 0.00 61.98 58.31 1kru s VAL 199 Cb -0.12 -5.03 -0.15 0.00 -1.53 0.00 0.00 36.38 29.55 1kru s VAL 199 CO 0.07 -1.90 1.45 -0.62 -3.33 0.00 0.00 175.10 170.76 1kru n GLU 200 N 8.74 0.44 -1.22 1.54 1.02 -1.26 -4.87 120.64 125.03 1kru n GLU 200 Ca 0.31 -0.94 -0.40 0.00 -0.02 0.00 0.00 57.16 56.11 1kru n GLU 200 Cb 0.51 -2.33 -0.01 0.00 -0.02 0.00 0.00 31.44 29.59 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 6.51 -2.22 0.00 1.62 3.41 -1.26 -5.29 113.62 116.39 1kru n SER 201 Ca 0.27 0.83 0.00 0.00 -0.26 0.00 0.00 58.87 59.71 1kru n SER 201 Cb 0.20 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.32 1kru n SER 201 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68