#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 0.00 3.75 -5.12 0.00 -1.26 -5.14 105.19 97.41 2kru n GLY 2 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2kru n GLY 2 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kru s GLU 3 N 0.00 4.47 0.61 1.61 8.01 -1.26 -5.00 118.70 127.14 2kru s GLU 3 Ca 0.00 1.98 0.01 0.00 0.01 0.00 0.00 54.97 56.96 2kru s GLU 3 Cb 0.00 -3.19 0.07 0.00 -4.31 0.00 0.00 34.13 26.70 2kru s GLU 3 CO 0.00 -0.10 0.86 -0.51 0.01 0.00 0.00 175.26 175.52 2kru s LEU 4 N -0.72 3.15 -0.34 1.80 1.43 -1.26 -5.05 118.68 117.69 2kru s LEU 4 Ca 0.52 -0.15 -0.23 0.00 -1.03 0.00 0.00 54.13 53.23 2kru s LEU 4 Cb -0.35 -2.52 0.01 0.00 0.03 0.00 0.00 46.19 43.35 2kru s LEU 4 CO 0.41 -1.41 0.77 -0.44 0.23 0.00 0.00 176.35 175.91 2kru s SER 5 N -4.55 6.58 -0.16 2.29 0.01 -1.17 -4.92 113.70 111.79 2kru s SER 5 Ca 0.61 0.46 -0.18 0.00 1.31 0.00 0.00 55.95 58.15 2kru s SER 5 Cb -0.08 -2.39 -0.04 0.00 0.21 0.00 0.00 66.02 63.71 2kru s SER 5 CO 0.41 -0.67 0.48 0.26 0.41 0.00 0.00 173.24 174.12 2kru s TRP 6 N 3.01 3.44 0.60 2.43 0.52 -1.26 0.52 118.94 128.21 2kru s TRP 6 Ca 0.31 0.81 -0.13 0.00 0.02 0.00 0.00 56.10 57.11 2kru s TRP 6 Cb -0.14 -2.59 -0.04 0.00 -1.15 0.00 0.00 33.47 29.55 2kru s TRP 6 CO 0.15 0.04 1.03 0.95 0.02 0.00 0.00 176.95 179.14 2kru s THR 7 N 1.09 4.47 0.48 2.01 -4.23 -0.73 -4.88 115.64 113.86 2kru s THR 7 Ca 0.24 0.93 0.17 0.00 -1.18 0.00 0.00 61.69 61.85 2kru s THR 7 Cb -0.15 -3.71 0.23 0.00 1.34 0.00 0.00 72.50 70.21 2kru s THR 7 CO 0.10 -0.93 2.07 0.00 -0.54 0.00 0.00 174.62 175.32 2kru h ALA 8 N 0.00 1.74 0.27 3.99 0.00 -1.97 0.42 119.26 123.71 2kru h ALA 8 Ca -0.45 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 2kru h ALA 8 Cb 1.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2kru h ALA 8 CO 0.61 0.14 -0.13 0.93 0.00 0.00 0.00 179.25 180.80 2kru h GLU 9 N 0.00 -0.34 -0.24 0.00 3.07 -1.93 0.23 114.58 115.37 2kru h GLU 9 Ca -0.00 0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.86 2kru h GLU 9 Cb 0.20 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 2kru h GLU 9 CO 0.01 -0.21 0.05 0.00 -1.40 0.00 0.00 179.01 177.46 2kru h ALA 10 N 0.35 0.31 -0.14 3.43 0.00 -1.68 -2.61 119.26 118.93 2kru h ALA 10 Ca -0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2kru h ALA 10 Cb 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2kru h ALA 10 CO 0.06 -0.02 0.08 0.93 0.00 0.00 0.00 179.25 180.31 2kru h GLU 11 N 0.20 0.18 -0.50 0.00 4.39 -0.91 0.40 114.58 118.35 2kru h GLU 11 Ca 0.07 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2kru h GLU 11 Cb 0.31 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 2kru h GLU 11 CO 0.00 0.13 0.32 -0.22 -1.16 0.00 0.00 179.01 178.08 2kru h LYS 12 N 0.19 0.67 0.04 2.33 3.64 -0.14 0.44 116.57 123.73 2kru h LYS 12 Ca 0.05 -0.05 -0.23 0.00 -1.27 0.00 0.00 60.65 59.15 2kru h LYS 12 Cb -0.01 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 2kru h LYS 12 CO -0.01 0.47 -1.07 0.52 -2.27 0.00 0.00 179.45 177.08 2kru h MET 13 N 0.67 0.08 0.00 1.90 2.86 -1.26 -3.28 114.93 115.90 2kru h MET 13 Ca 0.18 -0.13 -0.17 0.00 -2.06 0.00 0.00 59.70 57.52 2kru h MET 13 Cb -0.04 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 2kru h MET 13 CO -0.04 1.06 -0.80 1.25 1.06 0.00 0.00 176.91 179.44 2kru h LEU 14 N 0.02 0.00 -1.50 1.22 5.85 -0.73 -3.18 115.31 116.99 2kru h LEU 14 Ca -0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2kru h LEU 14 Cb 1.83 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.86 2kru h LEU 14 CO 0.15 0.80 0.00 1.23 -0.34 0.00 0.00 178.44 180.28 2kru h GLY 15 N 2.72 0.00 2.00 3.75 0.00 -0.17 -0.74 103.07 110.63 2kru h GLY 15 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 2kru h GLY 15 CO 0.10 0.00 -0.15 1.70 0.00 0.00 0.00 176.54 178.20 2kru h LYS 16 N 0.00 0.00 -5.95 4.80 3.11 -1.66 -3.44 116.57 113.43 2kru h LYS 16 Ca 0.00 0.00 -0.57 0.00 -2.81 0.00 0.00 60.65 57.27 2kru h LYS 16 Cb 0.37 0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 31.54 2kru h LYS 16 CO 0.00 0.15 0.09 0.08 -2.81 0.00 0.00 179.45 176.96 2kru s VAL 17 N -3.34 5.05 0.30 2.00 1.01 -0.29 -5.02 120.40 120.11 2kru s VAL 17 Ca 0.04 1.37 -0.28 0.00 0.00 0.00 0.00 61.98 63.11 2kru s VAL 17 Cb 0.07 -4.01 -0.14 0.00 0.00 0.00 0.00 36.38 32.30 2kru s VAL 17 CO 0.65 0.22 1.03 -2.65 0.00 0.00 0.00 175.10 174.36 2kru n PRO 18 N 4.04 1.41 0.19 2.72 -0.02 -1.26 -4.58 135.00 137.51 2kru n PRO 18 Ca -0.01 0.50 0.06 0.00 -2.02 0.00 0.00 63.50 62.02 2kru n PRO 18 Cb 0.51 -1.89 0.53 0.00 -0.02 0.00 0.00 33.50 32.64 2kru n PRO 18 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2kru h PHE 19 N 2.01 0.11 0.15 6.00 3.57 -1.94 0.33 116.94 127.17 2kru h PHE 19 Ca -0.40 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.11 2kru h PHE 19 Cb 1.34 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 40.00 2kru h PHE 19 CO 0.48 0.15 -0.34 0.74 -2.23 0.00 0.00 178.31 177.11 2kru h PHE 20 N 0.11 -0.93 0.00 0.41 0.04 -2.01 -0.30 116.94 114.27 2kru h PHE 20 Ca 0.03 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 2kru h PHE 20 Cb 0.13 0.39 -0.00 0.00 2.20 0.00 0.00 35.95 38.67 2kru h PHE 20 CO 0.00 -0.45 -0.71 -0.39 -0.60 0.00 0.00 178.31 176.16 2kru h VAL 21 N -0.58 0.04 -0.22 -0.55 -1.51 -1.82 -3.33 116.25 108.28 2kru h VAL 21 Ca 0.02 -1.07 0.00 0.00 -1.23 0.00 0.00 66.70 64.42 2kru h VAL 21 Cb 0.60 1.69 -0.01 0.00 -2.13 0.00 0.00 31.29 31.45 2kru h VAL 21 CO -0.18 0.02 0.14 -0.09 -1.23 0.00 0.00 177.57 176.23 2kru h ARG 22 N 0.00 0.28 -0.89 5.19 2.43 -0.01 -0.75 114.38 120.64 2kru h ARG 22 Ca -0.01 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2kru h ARG 22 Cb 1.03 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.47 2kru h ARG 22 CO 0.00 0.19 0.59 -0.22 -1.51 0.00 0.00 179.97 179.02 2kru h LYS 23 N 0.29 1.13 0.36 0.20 3.64 -1.16 0.24 116.57 121.27 2kru h LYS 23 Ca 0.08 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 2kru h LYS 23 Cb -0.03 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.54 2kru h LYS 23 CO -0.02 0.75 -0.17 0.87 -2.27 0.00 0.00 179.45 178.60 2kru h LYS 24 N 1.16 -0.47 -0.67 1.90 1.79 -1.57 -2.31 116.57 116.40 2kru h LYS 24 Ca 0.34 0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.81 2kru h LYS 24 Cb -0.06 0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 30.66 2kru h LYS 24 CO -0.09 -0.20 0.29 0.28 -1.08 0.00 0.00 179.45 178.66 2kru h VAL 25 N -0.69 1.24 0.10 0.50 2.07 -0.84 -2.25 116.25 116.39 2kru h VAL 25 Ca -0.05 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 66.78 2kru h VAL 25 Cb 0.48 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 2kru h VAL 25 CO 0.08 0.28 -0.19 -0.09 0.02 0.00 0.00 177.57 177.67 2kru h ARG 26 N 0.95 -0.36 -0.09 1.57 2.43 -0.52 -0.51 114.38 117.85 2kru h ARG 26 Ca 0.23 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2kru h ARG 26 Cb 0.17 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2kru h ARG 26 CO -0.02 -0.24 0.06 -0.22 -1.51 0.00 0.00 179.97 178.04 2kru h LYS 27 N -0.37 0.12 0.00 0.20 3.64 -1.26 -0.95 116.57 117.96 2kru h LYS 27 Ca 0.03 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.26 2kru h LYS 27 Cb 0.39 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 2kru h LYS 27 CO -0.11 0.08 -0.68 -0.91 -2.27 0.00 0.00 179.45 175.56 2kru h ASN 28 N 0.12 0.00 0.67 4.20 2.35 -0.65 -3.12 115.58 119.15 2kru h ASN 28 Ca 0.04 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.54 2kru h ASN 28 Cb -0.01 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2kru h ASN 28 CO -0.01 0.68 -1.09 0.74 -1.65 0.00 0.00 177.43 176.10 2kru h THR 29 N 0.00 1.53 -0.45 2.81 2.02 0.21 -0.13 112.91 118.90 2kru h THR 29 Ca -0.01 -2.99 0.06 0.00 0.77 0.00 0.00 66.41 64.24 2kru h THR 29 Cb 1.28 2.78 -0.05 0.00 -1.74 0.00 0.00 68.15 70.42 2kru h THR 29 CO 0.09 0.87 0.16 0.44 0.37 0.00 0.00 175.52 177.45 2kru h ASP 30 N 0.08 0.18 1.05 4.18 5.19 -1.35 0.55 116.42 126.30 2kru h ASP 30 Ca -0.09 0.05 -0.06 0.00 -0.62 0.00 0.00 57.03 56.31 2kru h ASP 30 Cb 1.80 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 41.33 2kru h ASP 30 CO 0.17 0.13 -0.29 0.78 -3.12 0.00 0.00 179.24 176.92 2kru h ASN 31 N 0.34 0.00 -0.18 6.45 2.35 -1.52 -2.93 115.58 120.09 2kru h ASN 31 Ca 0.21 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.85 2kru h ASN 31 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 2kru h ASN 31 CO -0.21 0.29 -0.33 0.22 -1.65 0.00 0.00 177.43 175.75 2kru h TYR 32 N 0.00 0.68 -0.18 1.19 3.20 0.68 -2.93 116.97 119.61 2kru h TYR 32 Ca -0.00 -0.24 -0.04 0.00 3.14 0.00 0.00 58.73 61.58 2kru h TYR 32 Cb 0.89 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 2kru h TYR 32 CO 0.00 0.97 -0.07 0.00 -1.64 0.00 0.00 178.16 177.42 2kru h ALA 33 N 0.58 1.54 -0.56 1.82 0.00 0.05 -1.47 119.26 121.23 2kru h ALA 33 Ca 0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2kru h ALA 33 Cb 0.93 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2kru h ALA 33 CO 0.07 0.33 0.26 0.00 0.00 0.00 0.00 179.25 179.91 2kru h ARG 34 N 0.27 0.79 -0.26 0.00 3.08 -1.41 0.50 114.38 117.35 2kru h ARG 34 Ca 0.06 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 2kru h ARG 34 Cb 0.30 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2kru h ARG 34 CO 0.01 0.62 -0.18 1.49 -1.07 0.00 0.00 179.97 180.84 2kru h GLU 35 N 0.79 0.59 0.00 0.04 4.81 -1.09 -3.10 114.58 116.62 2kru h GLU 35 Ca 0.19 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2kru h GLU 35 Cb 0.10 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.47 2kru h GLU 35 CO -0.02 0.86 -0.44 -0.84 -0.73 0.00 0.00 179.01 177.83 2kru h ILE 36 N 0.31 0.00 -0.37 2.32 3.07 -1.36 -3.48 117.51 118.00 2kru h ILE 36 Ca 0.05 -0.65 0.00 0.00 1.55 0.00 0.00 64.86 65.81 2kru h ILE 36 Cb 0.71 1.39 0.00 0.00 -0.27 0.00 0.00 36.82 38.65 2kru h ILE 36 CO 0.05 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.76 2kru n GLY 37 N 1.27 0.76 3.12 0.16 0.00 0.50 -5.09 105.19 105.91 2kru n GLY 37 Ca 0.03 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.83 2.31 0.41 1.61 0.41 0.15 -4.96 118.70 117.80 2kru s GLU 38 Ca 0.00 -1.33 0.21 0.00 -0.41 0.00 0.00 54.97 53.44 2kru s GLU 38 Cb 0.00 -3.05 0.83 0.00 -1.78 0.00 0.00 34.13 30.14 2kru s GLU 38 CO 0.00 -0.61 1.80 -1.35 -0.49 0.00 0.00 175.26 174.61 2kru h PRO 39 N 7.88 0.00 -5.17 0.39 0.11 -1.97 -3.38 132.00 129.85 2kru h PRO 39 Ca -0.20 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.25 2kru h PRO 39 Cb 1.05 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 31.85 2kru h PRO 39 CO 0.50 0.30 -0.80 0.08 -0.21 0.00 0.00 178.00 177.87 2kru s VAL 40 N -3.72 2.65 -0.77 3.15 1.01 -1.26 -3.03 120.40 118.44 2kru s VAL 40 Ca -0.00 -0.77 -0.26 0.00 0.00 0.00 0.00 61.98 60.95 2kru s VAL 40 Cb 0.11 -2.13 0.04 0.00 0.00 0.00 0.00 36.38 34.41 2kru s VAL 40 CO 0.66 0.51 1.25 -0.69 0.00 0.00 0.00 175.10 176.84 2kru s VAL 41 N 0.89 3.85 0.75 2.92 1.01 0.18 -4.96 120.40 125.05 2kru s VAL 41 Ca -0.04 0.12 -0.07 0.00 0.00 0.00 0.00 61.98 61.99 2kru s VAL 41 Cb -0.15 -4.90 0.10 0.00 0.00 0.00 0.00 36.38 31.43 2kru s VAL 41 CO -0.01 -1.80 1.06 0.42 0.00 0.00 0.00 175.10 174.76 2kru s THR 42 N 5.34 2.21 0.39 3.92 -4.23 -1.26 -1.77 115.64 120.24 2kru s THR 42 Ca 0.34 -0.30 0.09 0.00 -1.18 0.00 0.00 61.69 60.64 2kru s THR 42 Cb -0.08 -2.91 0.30 0.00 1.34 0.00 0.00 72.50 71.15 2kru s THR 42 CO 0.11 0.00 1.99 0.00 -0.54 0.00 0.00 174.62 176.18 2kru h ALA 43 N -0.75 1.80 -0.44 3.99 0.00 -1.92 -1.81 119.26 120.12 2kru h ALA 43 Ca -0.43 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.34 2kru h ALA 43 Cb 1.29 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2kru h ALA 43 CO 0.52 0.10 -0.23 0.22 0.00 0.00 0.00 179.25 179.86 2kru h ASP 44 N 0.61 0.92 -0.12 0.00 3.58 -1.97 0.53 116.42 119.96 2kru h ASP 44 Ca 0.26 -0.34 -0.02 0.00 0.42 0.00 0.00 57.03 57.35 2kru h ASP 44 Cb 0.27 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.06 2kru h ASP 44 CO -0.08 1.10 0.00 0.58 -2.88 0.00 0.00 179.24 177.96 2kru h VAL 45 N 0.77 1.25 -0.20 2.25 2.07 -1.77 -1.60 116.25 119.03 2kru h VAL 45 Ca 0.10 -0.80 -0.08 0.00 0.82 0.00 0.00 66.70 66.74 2kru h VAL 45 Cb 0.78 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 2kru h VAL 45 CO 0.06 0.23 -0.22 0.15 0.02 0.00 0.00 177.57 177.82 2kru h PHE 46 N -0.06 0.39 -0.28 1.57 3.57 -1.29 -0.25 116.94 120.58 2kru h PHE 46 Ca 0.03 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 2kru h PHE 46 Cb 0.35 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2kru h PHE 46 CO 0.03 0.55 0.12 -0.09 -2.23 0.00 0.00 178.31 176.70 2kru h ARG 47 N 0.32 0.42 -0.19 1.11 2.43 -0.74 -2.12 114.38 115.61 2kru h ARG 47 Ca 0.05 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.07 2kru h ARG 47 Cb 0.56 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 2kru h ARG 47 CO 0.04 0.43 -0.24 0.87 -1.51 0.00 0.00 179.97 179.56 2kru h LYS 48 N 0.32 0.34 -0.47 0.20 1.57 -0.99 -2.80 116.57 114.74 2kru h LYS 48 Ca 0.10 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2kru h LYS 48 Cb 0.16 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 2kru h LYS 48 CO -0.01 0.56 0.26 0.00 -0.57 0.00 0.00 179.45 179.69 2kru h ALA 49 N 1.45 1.58 -0.37 3.86 0.00 -0.59 -1.79 119.26 123.38 2kru h ALA 49 Ca 0.05 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.92 2kru h ALA 49 Cb 0.59 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2kru h ALA 49 CO 0.04 0.36 0.25 0.87 0.00 0.00 0.00 179.25 180.77 2kru h LYS 50 N 0.64 0.35 0.08 0.00 1.57 -1.11 0.47 116.57 118.57 2kru h LYS 50 Ca 0.17 -0.02 -0.27 0.00 -1.87 0.00 0.00 60.65 58.66 2kru h LYS 50 Cb 0.01 -0.08 0.02 0.00 0.08 0.00 0.00 32.23 32.26 2kru h LYS 50 CO -0.03 0.23 -1.14 0.93 -0.57 0.00 0.00 179.45 178.87 2kru h GLU 51 N 0.36 0.51 0.04 3.15 5.08 -1.44 0.33 114.58 122.60 2kru h GLU 51 Ca 0.16 -0.65 -0.24 0.00 -1.00 0.00 0.00 59.36 57.63 2kru h GLU 51 Cb 0.17 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2kru h GLU 51 CO -0.04 1.27 -1.15 1.25 -1.00 0.00 0.00 179.01 179.34 2kru h HIS 52 N 0.24 0.15 -0.21 4.33 2.76 -0.87 -3.27 115.15 118.27 2kru h HIS 52 Ca -0.14 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 57.92 2kru h HIS 52 Cb 1.81 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.76 2kru h HIS 52 CO 0.09 1.09 0.00 1.28 -1.30 0.00 0.00 177.93 179.09 2kru n LEU 53 N -3.38 2.16 -0.56 0.26 4.77 0.16 -4.93 117.00 115.49 2kru n LEU 53 Ca -0.04 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 55.03 2kru n LEU 53 Cb 0.98 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 2kru n LEU 53 CO 0.49 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 2kru n GLY 54 N 1.23 0.89 3.55 -0.72 0.00 -1.22 -4.97 105.19 103.95 2kru n GLY 54 Ca 0.17 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 2kru n GLY 54 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kru s GLY 55 N -2.97 1.78 -0.11 -0.02 0.00 0.12 -4.96 107.32 101.15 2kru s GLY 55 Ca 0.00 -2.93 -0.29 0.00 0.00 0.00 0.00 44.72 41.49 2kru s GLY 55 CO 0.00 2.54 1.91 -2.27 0.00 0.00 0.00 173.10 175.28 2kru s LEU 56 N 3.66 4.01 0.23 0.66 0.20 -1.26 -4.79 118.68 121.40 2kru s LEU 56 Ca 0.50 2.13 -0.30 0.00 0.69 0.00 0.00 54.13 57.15 2kru s LEU 56 Cb 0.02 -3.53 -0.09 0.00 -0.43 0.00 0.00 46.19 42.16 2kru s LEU 56 CO 0.03 -1.34 1.14 -0.70 -0.29 0.00 0.00 176.35 175.20 2kru s GLU 57 N 4.98 4.57 0.26 1.98 2.56 -1.26 -4.94 118.70 126.85 2kru s GLU 57 Ca 0.85 1.83 0.16 0.00 0.00 0.00 0.00 54.97 57.81 2kru s GLU 57 Cb -0.34 -3.21 0.05 0.00 2.00 0.00 0.00 34.13 32.62 2kru s GLU 57 CO 0.35 0.07 1.38 0.45 -0.56 0.00 0.00 175.26 176.95 2kru h HIS 58 N 4.46 0.00 -5.81 5.30 3.86 -2.05 -3.48 115.15 117.44 2kru h HIS 58 Ca -0.46 0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 58.40 2kru h HIS 58 Cb 1.21 0.00 0.13 0.00 1.06 0.00 0.00 27.41 29.81 2kru h HIS 58 CO 0.60 0.48 -0.81 1.58 0.86 0.00 0.00 177.93 180.65 2kru n HIS 59 N -3.17 -2.11 -1.97 2.45 -0.00 -1.26 -4.35 115.22 104.80 2kru n HIS 59 Ca 0.01 0.87 -0.02 0.00 0.46 0.00 0.00 57.72 59.04 2kru n HIS 59 Cb 0.74 -4.66 -0.02 0.00 -0.12 0.00 0.00 29.99 25.93 2kru n HIS 59 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kru n HIS 60 N -4.08 -1.91 -1.57 1.57 -0.00 -1.26 -4.99 115.22 102.97 2kru n HIS 60 Ca -0.26 1.08 -0.36 0.00 0.46 0.00 0.00 57.72 58.64 2kru n HIS 60 Cb 0.66 -2.55 0.08 0.00 -0.12 0.00 0.00 29.99 28.06 2kru n HIS 60 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2kru s HIS 61 N -0.34 2.04 0.37 1.57 -3.43 -1.26 -5.03 115.29 109.21 2kru s HIS 61 Ca -0.11 1.55 0.07 0.00 -0.80 0.00 0.00 55.06 55.78 2kru s HIS 61 Cb 0.01 -3.58 -0.02 0.00 -1.43 0.00 0.00 32.58 27.55 2kru s HIS 61 CO 0.34 -2.78 0.36 -1.01 -2.00 0.00 0.00 174.74 169.66 2kru s HIS 62 N -1.70 2.85 -1.49 0.38 3.76 -1.26 -5.22 115.29 112.61 2kru s HIS 62 Ca 0.78 -0.37 0.12 0.00 -0.15 0.00 0.00 55.06 55.44 2kru s HIS 62 Cb -0.33 -1.99 0.09 0.00 1.11 0.00 0.00 32.58 31.46 2kru s HIS 62 CO 0.42 0.01 0.88 0.72 -0.85 0.00 0.00 174.74 175.92