#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kru n GLY 2 N 0.00 1.68 3.08 3.03 0.00 -1.26 -4.77 105.19 106.94 2kru n GLY 2 Ca 0.00 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 2kru n GLY 2 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kru s GLU 3 N -1.73 0.23 0.73 1.61 1.03 -1.26 -5.07 118.70 114.24 2kru s GLU 3 Ca 0.24 0.44 -0.04 0.00 0.03 0.00 0.00 54.97 55.64 2kru s GLU 3 Cb 0.17 -0.02 0.10 0.00 -0.80 0.00 0.00 34.13 33.58 2kru s GLU 3 CO 0.10 -0.11 1.02 -0.51 -1.33 0.00 0.00 175.26 174.42 2kru s LEU 4 N 0.80 2.94 -0.57 1.83 1.43 -1.26 -5.01 118.68 118.83 2kru s LEU 4 Ca -0.06 0.02 -0.28 0.00 -1.03 0.00 0.00 54.13 52.79 2kru s LEU 4 Cb -0.07 -2.49 0.02 0.00 0.03 0.00 0.00 46.19 43.68 2kru s LEU 4 CO -0.05 -1.81 1.29 -0.44 0.23 0.00 0.00 176.35 175.57 2kru s SER 5 N -4.65 6.31 -0.21 2.29 0.01 -1.20 -4.90 113.70 111.35 2kru s SER 5 Ca 0.64 0.18 -0.21 0.00 1.31 0.00 0.00 55.95 57.87 2kru s SER 5 Cb -0.07 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.58 2kru s SER 5 CO 0.45 -1.58 0.66 0.26 0.41 0.00 0.00 173.24 173.44 2kru s TRP 6 N 5.42 3.35 0.89 2.43 0.52 -1.26 0.11 118.94 130.40 2kru s TRP 6 Ca 0.47 0.94 -0.12 0.00 0.02 0.00 0.00 56.10 57.40 2kru s TRP 6 Cb -0.09 -2.85 0.13 0.00 -1.15 0.00 0.00 33.47 29.51 2kru s TRP 6 CO 0.25 -0.24 1.16 0.95 0.02 0.00 0.00 176.95 179.09 2kru s THR 7 N 2.16 1.99 0.25 2.01 -4.23 -0.68 -4.83 115.64 112.30 2kru s THR 7 Ca 0.29 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.78 2kru s THR 7 Cb -0.16 -2.83 0.08 0.00 1.34 0.00 0.00 72.50 70.93 2kru s THR 7 CO 0.10 0.00 1.71 0.00 -0.54 0.00 0.00 174.62 175.88 2kru h ALA 8 N -1.40 1.02 -0.41 3.99 0.00 -1.97 -0.53 119.26 119.97 2kru h ALA 8 Ca -0.49 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.03 2kru h ALA 8 Cb 1.33 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2kru h ALA 8 CO 0.62 0.59 -0.02 0.93 0.00 0.00 0.00 179.25 181.36 2kru h GLU 9 N 0.65 0.74 0.01 0.00 3.07 -1.93 0.16 114.58 117.28 2kru h GLU 9 Ca 0.11 -0.25 -0.00 0.00 -0.50 0.00 0.00 59.36 58.72 2kru h GLU 9 Cb 0.60 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 2kru h GLU 9 CO 0.04 0.83 -0.01 0.00 -1.40 0.00 0.00 179.01 178.47 2kru h ALA 10 N 0.88 -0.02 -0.15 3.43 0.00 -1.76 -2.39 119.26 119.25 2kru h ALA 10 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2kru h ALA 10 Cb 0.51 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2kru h ALA 10 CO 0.03 -0.42 0.09 0.93 0.00 0.00 0.00 179.25 179.88 2kru h GLU 11 N -0.21 0.20 0.01 0.00 4.39 -1.06 -0.54 114.58 117.36 2kru h GLU 11 Ca -0.00 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 2kru h GLU 11 Cb 0.20 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2kru h GLU 11 CO 0.00 0.14 -0.00 -0.22 -1.16 0.00 0.00 179.01 177.77 2kru h LYS 12 N 0.20 -0.01 -0.19 2.33 3.64 -0.31 0.28 116.57 122.51 2kru h LYS 12 Ca 0.05 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.32 2kru h LYS 12 Cb -0.01 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2kru h LYS 12 CO -0.01 0.14 -0.38 0.52 -2.27 0.00 0.00 179.45 177.45 2kru h MET 13 N -0.16 0.42 0.00 1.90 2.86 -1.08 -2.07 114.93 116.80 2kru h MET 13 Ca -0.00 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.41 2kru h MET 13 Cb 0.15 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 2kru h MET 13 CO 0.00 0.74 -0.17 1.25 1.06 0.00 0.00 176.91 179.80 2kru h LEU 14 N 0.35 0.00 -0.58 1.22 5.85 -0.85 -2.31 115.31 118.99 2kru h LEU 14 Ca 0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2kru h LEU 14 Cb 0.83 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.86 2kru h LEU 14 CO 0.07 0.17 0.00 1.23 -0.34 0.00 0.00 178.44 179.56 2kru h GLY 15 N 1.28 0.00 2.00 3.75 0.00 0.31 -1.92 103.07 108.49 2kru h GLY 15 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kru h GLY 15 CO 0.02 0.00 0.00 1.70 0.00 0.00 0.00 176.54 178.26 2kru h LYS 16 N 0.00 0.00 -5.56 4.80 3.64 -1.42 -3.44 116.57 114.60 2kru h LYS 16 Ca 0.00 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.79 2kru h LYS 16 Cb 0.46 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.18 2kru h LYS 16 CO 0.00 0.00 -0.20 0.08 -2.27 0.00 0.00 179.45 177.06 2kru s VAL 17 N -3.12 5.21 0.49 2.00 1.01 -0.72 -5.05 120.40 120.22 2kru s VAL 17 Ca 0.10 0.77 -0.24 0.00 0.00 0.00 0.00 61.98 62.62 2kru s VAL 17 Cb 0.11 -3.75 -0.07 0.00 0.00 0.00 0.00 36.38 32.68 2kru s VAL 17 CO 0.61 0.30 1.33 -0.81 0.00 0.00 0.00 175.10 176.53 2kru n PRO 18 N 4.00 1.87 0.15 2.72 -0.04 -1.26 -4.69 135.00 137.75 2kru n PRO 18 Ca -0.08 0.67 0.18 0.00 -0.04 0.00 0.00 63.50 64.23 2kru n PRO 18 Cb 0.51 -2.51 0.78 0.00 -0.04 0.00 0.00 33.50 32.24 2kru n PRO 18 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2kru h PHE 19 N 1.80 0.00 0.38 0.54 3.57 -1.94 -0.79 116.94 120.49 2kru h PHE 19 Ca -0.50 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 60.99 2kru h PHE 19 Cb 1.30 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.02 2kru h PHE 19 CO 0.47 0.00 -0.38 0.74 -2.23 0.00 0.00 178.31 176.91 2kru h PHE 20 N 0.00 -1.05 -0.19 0.41 0.04 -2.03 -2.99 116.94 111.14 2kru h PHE 20 Ca 0.13 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.90 2kru h PHE 20 Cb 0.65 0.41 0.00 0.00 2.20 0.00 0.00 35.95 39.21 2kru h PHE 20 CO 0.00 -0.50 0.00 1.33 -0.60 0.00 0.00 178.31 178.54 2kru n VAL 21 N -4.69 0.23 -0.13 -0.55 0.24 -1.04 -4.20 118.33 108.19 2kru n VAL 21 Ca -0.09 -0.49 -0.02 0.00 -2.04 0.00 0.00 64.34 61.70 2kru n VAL 21 Cb 0.35 0.82 0.22 0.00 -1.47 0.00 0.00 33.84 33.76 2kru n VAL 21 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 2kru h ARG 22 N 3.49 0.83 -0.49 7.34 2.43 -0.99 -1.44 114.38 125.54 2kru h ARG 22 Ca 0.00 -0.14 -0.04 0.00 -0.81 0.00 0.00 59.98 58.99 2kru h ARG 22 Cb 0.76 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 2kru h ARG 22 CO 0.00 0.70 0.14 1.57 -1.51 0.00 0.00 179.97 180.86 2kru h LYS 23 N 0.81 0.72 0.09 0.20 2.10 -1.73 0.25 116.57 119.02 2kru h LYS 23 Ca 0.19 -0.13 -0.00 0.00 -2.00 0.00 0.00 60.65 58.71 2kru h LYS 23 Cb 0.20 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 2kru h LYS 23 CO -0.01 0.64 -0.04 -0.22 -2.00 0.00 0.00 179.45 177.82 2kru h LYS 24 N 0.71 -0.11 -0.18 0.07 3.64 -1.56 -2.06 116.57 117.08 2kru h LYS 24 Ca 0.16 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2kru h LYS 24 Cb 0.24 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 2kru h LYS 24 CO -0.01 0.12 0.09 0.28 -2.27 0.00 0.00 179.45 177.67 2kru h VAL 25 N -0.33 1.13 -0.46 2.00 2.07 -1.15 -0.11 116.25 119.39 2kru h VAL 25 Ca -0.01 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.18 2kru h VAL 25 Cb 0.28 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 2kru h VAL 25 CO 0.02 0.12 0.27 -0.09 0.02 0.00 0.00 177.57 177.91 2kru h ARG 26 N 0.17 0.52 -0.03 1.57 2.43 -0.95 0.15 114.38 118.24 2kru h ARG 26 Ca 0.06 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 2kru h ARG 26 Cb 0.11 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2kru h ARG 26 CO -0.01 0.34 -0.39 -0.22 -1.51 0.00 0.00 179.97 178.18 2kru h LYS 27 N 0.53 0.07 -0.05 0.20 3.64 -1.26 -1.71 116.57 117.99 2kru h LYS 27 Ca 0.19 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.44 2kru h LYS 27 Cb 0.03 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2kru h LYS 27 CO -0.09 0.45 -0.36 -0.97 -2.27 0.00 0.00 179.45 176.21 2kru h ASN 28 N 0.06 0.41 -0.01 4.20 -1.24 0.40 -2.47 115.58 116.91 2kru h ASN 28 Ca 0.00 -0.68 -0.09 0.00 0.71 0.00 0.00 56.30 56.24 2kru h ASN 28 Cb 0.73 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.64 2kru h ASN 28 CO 0.05 1.02 -0.27 0.74 -1.29 0.00 0.00 177.43 177.69 2kru h THR 29 N -0.18 1.27 -0.03 -3.57 2.02 -0.76 -0.31 112.91 111.34 2kru h THR 29 Ca -0.03 -1.27 0.03 0.00 0.77 0.00 0.00 66.41 65.91 2kru h THR 29 Cb 1.03 1.38 -0.04 0.00 -1.74 0.00 0.00 68.15 68.78 2kru h THR 29 CO 0.07 0.40 -0.23 -0.78 0.37 0.00 0.00 175.52 175.35 2kru h ASP 30 N 0.39 -0.69 0.59 4.18 1.82 -1.25 0.23 116.42 121.68 2kru h ASP 30 Ca 0.06 0.10 -0.03 0.00 -0.39 0.00 0.00 57.03 56.77 2kru h ASP 30 Cb 0.67 0.29 -0.00 0.00 0.68 0.00 0.00 39.33 40.97 2kru h ASP 30 CO 0.05 -0.30 -0.14 0.78 -1.61 0.00 0.00 179.24 178.02 2kru h ASN 31 N -0.35 0.00 -0.18 2.28 2.35 -1.22 -2.42 115.58 116.04 2kru h ASN 31 Ca 0.07 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.74 2kru h ASN 31 Cb 0.45 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 2kru h ASN 31 CO -0.23 0.14 -0.18 0.22 -1.65 0.00 0.00 177.43 175.73 2kru h TYR 32 N 0.00 0.53 -0.83 1.19 3.20 0.49 -1.43 116.97 120.13 2kru h TYR 32 Ca -0.00 -0.16 -0.02 0.00 3.14 0.00 0.00 58.73 61.69 2kru h TYR 32 Cb 0.47 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.59 2kru h TYR 32 CO 0.00 0.81 0.43 0.00 -1.64 0.00 0.00 178.16 177.76 2kru h ALA 33 N 0.63 1.20 -0.11 1.82 0.00 -0.29 -0.62 119.26 121.89 2kru h ALA 33 Ca 0.03 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2kru h ALA 33 Cb 0.73 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2kru h ALA 33 CO 0.05 0.63 -0.16 0.00 0.00 0.00 0.00 179.25 179.76 2kru h ARG 34 N 1.16 0.17 -0.26 0.00 3.08 -1.38 0.55 114.38 117.70 2kru h ARG 34 Ca 0.29 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 60.17 2kru h ARG 34 Cb 0.06 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2kru h ARG 34 CO -0.04 0.34 -0.38 1.49 -1.07 0.00 0.00 179.97 180.30 2kru h GLU 35 N 0.16 0.61 -0.02 0.04 4.81 -0.01 -2.96 114.58 117.21 2kru h GLU 35 Ca 0.03 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2kru h GLU 35 Cb 0.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.78 2kru h GLU 35 CO 0.03 0.89 -0.00 0.44 -0.73 0.00 0.00 179.01 179.63 2kru n ILE 36 N -4.04 0.00 -0.74 2.32 -5.35 -0.68 -4.95 119.36 105.92 2kru n ILE 36 Ca -0.02 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.06 2kru n ILE 36 Cb 0.51 1.11 0.00 0.00 -1.74 0.00 0.00 39.64 39.52 2kru n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kru n GLY 37 N 1.28 0.56 3.67 3.28 0.00 0.13 -5.04 105.19 109.07 2kru n GLY 37 Ca 0.16 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 2kru n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kru s GLU 38 N -1.24 4.17 0.22 1.61 0.41 0.17 -4.95 118.70 119.08 2kru s GLU 38 Ca 0.00 0.21 0.24 0.00 -0.41 0.00 0.00 54.97 55.01 2kru s GLU 38 Cb 0.00 -3.54 0.41 0.00 -1.78 0.00 0.00 34.13 29.21 2kru s GLU 38 CO 0.00 -0.06 1.45 -1.00 -0.49 0.00 0.00 175.26 175.16 2kru h PRO 39 N 7.42 0.00 -5.11 0.39 0.14 -1.96 -3.33 132.00 129.54 2kru h PRO 39 Ca -0.36 0.00 -0.64 0.00 0.14 0.00 0.00 66.00 65.15 2kru h PRO 39 Cb 1.16 0.00 -0.33 0.00 0.14 0.00 0.00 31.00 31.97 2kru h PRO 39 CO 0.71 0.00 -0.86 0.08 0.14 0.00 0.00 178.00 178.07 2kru s VAL 40 N -3.19 1.82 -0.63 1.56 1.01 -1.26 -3.27 120.40 116.44 2kru s VAL 40 Ca 0.06 -0.87 -0.21 0.00 0.00 0.00 0.00 61.98 60.96 2kru s VAL 40 Cb 0.11 -1.60 0.09 0.00 0.00 0.00 0.00 36.38 34.98 2kru s VAL 40 CO 0.69 0.51 0.85 -0.69 0.00 0.00 0.00 175.10 176.46 2kru s VAL 41 N 0.52 4.54 0.63 2.92 1.01 0.12 -4.92 120.40 125.23 2kru s VAL 41 Ca -0.15 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.20 2kru s VAL 41 Cb -0.17 -4.60 0.09 0.00 0.00 0.00 0.00 36.38 31.70 2kru s VAL 41 CO 0.06 -1.31 0.88 0.42 0.00 0.00 0.00 175.10 175.14 2kru s THR 42 N 3.45 2.31 0.31 3.92 -4.23 -1.26 -1.69 115.64 118.44 2kru s THR 42 Ca 0.17 -0.72 0.01 0.00 -1.18 0.00 0.00 61.69 59.98 2kru s THR 42 Cb -0.20 -2.59 0.28 0.00 1.34 0.00 0.00 72.50 71.33 2kru s THR 42 CO 0.08 0.00 1.91 0.00 -0.54 0.00 0.00 174.62 176.07 2kru h ALA 43 N -0.18 1.54 -0.14 3.99 0.00 -1.94 -1.54 119.26 120.99 2kru h ALA 43 Ca -0.36 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 2kru h ALA 43 Cb 1.28 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2kru h ALA 43 CO 0.43 0.32 0.03 0.22 0.00 0.00 0.00 179.25 180.24 2kru h ASP 44 N 1.00 0.22 -0.58 0.00 3.58 -1.97 0.18 116.42 118.85 2kru h ASP 44 Ca 0.39 -0.25 0.05 0.00 0.42 0.00 0.00 57.03 57.64 2kru h ASP 44 Cb 0.24 -0.06 -0.05 0.00 1.72 0.00 0.00 39.33 41.19 2kru h ASP 44 CO -0.15 0.41 0.31 0.58 -2.88 0.00 0.00 179.24 177.51 2kru h VAL 45 N 0.01 0.98 -0.33 2.25 2.07 -1.84 0.22 116.25 119.60 2kru h VAL 45 Ca 0.04 -0.21 -0.11 0.00 0.82 0.00 0.00 66.70 67.25 2kru h VAL 45 Cb 0.29 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 2kru h VAL 45 CO 0.00 0.11 -0.24 0.15 0.02 0.00 0.00 177.57 177.61 2kru h PHE 46 N 0.60 0.75 -0.33 1.57 3.57 -1.19 -0.66 116.94 121.25 2kru h PHE 46 Ca 0.25 -0.17 -0.08 0.00 3.53 0.00 0.00 57.97 61.50 2kru h PHE 46 Cb 0.13 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 2kru h PHE 46 CO -0.09 0.84 -0.12 -0.09 -2.23 0.00 0.00 178.31 176.62 2kru h ARG 47 N 0.58 0.66 -0.06 1.11 2.43 -0.17 -2.85 114.38 116.08 2kru h ARG 47 Ca 0.08 -0.27 -0.09 0.00 -0.81 0.00 0.00 59.98 58.88 2kru h ARG 47 Cb 0.72 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 2kru h ARG 47 CO 0.05 0.86 -0.39 0.87 -1.51 0.00 0.00 179.97 179.85 2kru h LYS 48 N 0.44 0.12 -0.94 0.20 1.57 -0.48 -2.11 116.57 115.37 2kru h LYS 48 Ca 0.08 -0.05 0.11 0.00 -1.87 0.00 0.00 60.65 58.92 2kru h LYS 48 Cb 0.64 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.86 2kru h LYS 48 CO 0.04 0.50 0.57 0.00 -0.57 0.00 0.00 179.45 179.99 2kru h ALA 49 N 1.50 1.40 -0.61 3.86 0.00 -0.90 0.14 119.26 124.65 2kru h ALA 49 Ca 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2kru h ALA 49 Cb 0.74 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2kru h ALA 49 CO 0.06 0.17 0.32 0.87 0.00 0.00 0.00 179.25 180.66 2kru h LYS 50 N 0.91 0.84 -0.09 0.00 1.57 -1.16 0.35 116.57 118.98 2kru h LYS 50 Ca 0.47 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 59.12 2kru h LYS 50 Cb 0.46 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 2kru h LYS 50 CO -0.27 0.63 -0.05 0.93 -0.57 0.00 0.00 179.45 180.12 2kru h GLU 51 N 0.85 0.20 -0.07 3.15 5.08 -1.03 -1.17 114.58 121.59 2kru h GLU 51 Ca 0.22 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 2kru h GLU 51 Cb 0.04 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.29 2kru h GLU 51 CO -0.03 0.57 -0.41 1.25 -1.00 0.00 0.00 179.01 179.39 2kru h HIS 52 N -0.17 0.54 -0.36 4.33 2.76 -0.71 -3.28 115.15 118.26 2kru h HIS 52 Ca 0.02 -0.25 -0.15 0.00 -2.20 0.00 0.00 60.37 57.80 2kru h HIS 52 Cb 0.52 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 2kru h HIS 52 CO 0.07 1.01 -0.35 -0.07 -1.30 0.00 0.00 177.93 177.29 2kru h LEU 53 N -0.08 0.93 -0.21 0.26 3.38 -0.43 -3.49 115.31 115.67 2kru h LEU 53 Ca -0.03 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2kru h LEU 53 Cb 1.07 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2kru h LEU 53 CO 0.08 1.20 0.00 0.61 0.09 0.00 0.00 178.44 180.43 2kru n GLY 54 N 0.14 0.69 0.00 0.83 0.00 -0.54 -5.07 105.19 101.23 2kru n GLY 54 Ca -0.03 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.33 2kru n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kru n GLY 55 N -0.05 1.57 2.54 -0.02 0.00 -0.64 -4.95 105.19 103.64 2kru n GLY 55 Ca 0.00 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.67 2kru n GLY 55 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2kru n LEU 56 N 0.00 7.81 -4.83 0.99 0.00 -1.26 -4.90 117.00 114.81 2kru n LEU 56 Ca 0.00 -4.41 -0.23 0.00 0.00 0.00 0.00 56.01 51.37 2kru n LEU 56 Cb 0.00 -1.55 -0.04 0.00 0.00 0.00 0.00 43.42 41.83 2kru n LEU 56 CO 0.00 1.69 -0.05 -1.61 0.00 0.00 0.00 177.39 177.42 2kru s GLU 57 N 1.74 2.40 0.15 1.96 0.41 -1.26 -5.15 118.70 118.95 2kru s GLU 57 Ca 0.57 -1.69 0.05 0.00 -0.41 0.00 0.00 54.97 53.48 2kru s GLU 57 Cb 0.16 -2.21 -0.04 0.00 -1.78 0.00 0.00 34.13 30.25 2kru s GLU 57 CO -0.07 -0.21 -0.11 -1.01 -0.49 0.00 0.00 175.26 173.37 2kru s HIS 58 N -2.55 1.30 -0.90 1.61 3.76 -1.26 -5.08 115.29 112.17 2kru s HIS 58 Ca 0.44 -0.74 -0.23 0.00 -0.15 0.00 0.00 55.06 54.38 2kru s HIS 58 Cb -0.01 -0.66 0.06 0.00 1.11 0.00 0.00 32.58 33.09 2kru s HIS 58 CO 0.25 0.10 1.29 -1.58 -0.85 0.00 0.00 174.74 173.96 2kru s HIS 59 N -3.26 2.60 0.52 1.40 2.46 -1.26 -4.98 115.29 112.75 2kru s HIS 59 Ca 0.17 -0.72 -0.04 0.00 0.47 0.00 0.00 55.06 54.94 2kru s HIS 59 Cb 0.02 -4.56 -0.01 0.00 -0.13 0.00 0.00 32.58 27.91 2kru s HIS 59 CO 0.01 -1.86 0.79 -1.01 -2.47 0.00 0.00 174.74 170.21 2kru s HIS 60 N 4.63 3.32 0.11 3.88 3.76 -1.26 -5.05 115.29 124.67 2kru s HIS 60 Ca 0.38 0.55 -0.30 0.00 -0.15 0.00 0.00 55.06 55.54 2kru s HIS 60 Cb -0.05 -2.49 -0.06 0.00 1.11 0.00 0.00 32.58 31.10 2kru s HIS 60 CO -0.02 -0.53 1.12 -1.01 -0.85 0.00 0.00 174.74 173.45 2kru s HIS 61 N -2.78 3.55 0.20 1.40 3.76 -1.26 -5.02 115.29 115.14 2kru s HIS 61 Ca 0.50 1.50 0.02 0.00 -0.15 0.00 0.00 55.06 56.93 2kru s HIS 61 Cb -0.10 -3.30 -0.01 0.00 1.11 0.00 0.00 32.58 30.28 2kru s HIS 61 CO 0.43 -0.76 0.07 -2.39 -0.85 0.00 0.00 174.74 171.23 2kru n HIS 62 N 3.19 0.09 1.52 1.40 -0.00 -1.26 -5.30 115.22 114.86 2kru n HIS 62 Ca 0.06 -1.29 0.14 0.00 -0.00 0.00 0.00 57.72 56.62 2kru n HIS 62 Cb 0.47 -0.01 0.54 0.00 -0.00 0.00 0.00 29.99 30.99 2kru n HIS 62 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06