#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 1.26 3.80 -5.12 0.00 -1.26 -5.12 105.19 98.75 2kru n GLY 2 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 3.54 0.02 1.61 2.02 -1.26 -4.97 118.70 119.66 2kru s GLU 3 Ca 0.00 1.24 -0.00 0.00 0.02 0.00 0.00 54.97 56.23 2kru s GLU 3 Cb 0.00 -2.06 0.00 0.00 0.10 0.00 0.00 34.13 32.17 2kru s GLU 3 CO 0.00 -0.63 0.02 1.28 0.02 0.00 0.00 175.26 175.95 2kru n LEU 4 N -1.62 0.00 -4.49 1.80 4.77 -1.26 -5.02 117.00 111.19 2kru n LEU 4 Ca 0.09 -0.04 -0.43 0.00 -0.03 0.00 0.00 56.01 55.59 2kru n LEU 4 Cb 0.53 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.56 2kru n LEU 4 CO 0.44 -0.51 0.69 -0.55 -1.33 0.00 0.00 177.39 176.13 2kru s SER 5 N -1.09 6.28 -0.12 -1.43 0.15 -0.95 -4.95 113.70 111.59 2kru s SER 5 Ca 0.01 -0.61 -0.14 0.00 0.70 0.00 0.00 55.95 55.91 2kru s SER 5 Cb -0.00 -2.41 -0.05 0.00 -1.71 0.00 0.00 66.02 61.85 2kru s SER 5 CO 0.01 -1.23 0.32 0.26 1.20 0.00 0.00 173.24 173.80 2kru s TRP 6 N 3.78 3.53 0.71 3.44 0.52 -1.26 -0.10 118.94 129.56 2kru s TRP 6 Ca 0.26 0.70 -0.04 0.00 0.02 0.00 0.00 56.10 57.04 2kru s TRP 6 Cb -0.15 -2.32 0.10 0.00 -1.15 0.00 0.00 33.47 29.95 2kru s TRP 6 CO 0.16 0.36 0.99 0.95 0.02 0.00 0.00 176.95 179.43 2kru s THR 7 N 0.04 2.27 0.23 2.01 -4.23 -1.10 -4.89 115.64 109.97 2kru s THR 7 Ca 0.19 -0.44 -0.06 0.00 -1.18 0.00 0.00 61.69 60.21 2kru s THR 7 Cb -0.14 -2.84 0.14 0.00 1.34 0.00 0.00 72.50 71.00 2kru s THR 7 CO 0.07 0.00 1.77 0.00 -0.54 0.00 0.00 174.62 175.91 2kru h ALA 8 N -0.56 1.06 -0.51 3.99 0.00 -1.98 -1.12 119.26 120.14 2kru h ALA 8 Ca -0.41 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.23 2kru h ALA 8 Cb 1.28 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2kru h ALA 8 CO 0.49 0.63 0.14 1.05 0.00 0.00 0.00 179.25 181.56 2kru h GLU 9 N 0.99 0.76 0.03 0.00 4.11 -1.94 0.87 114.58 119.41 2kru h GLU 9 Ca 0.21 -0.14 -0.00 0.00 0.07 0.00 0.00 59.36 59.50 2kru h GLU 9 Cb 0.32 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2kru h GLU 9 CO -0.00 0.67 -0.02 0.00 0.07 0.00 0.00 179.01 179.74 2kru h ALA 10 N 1.42 -0.04 -0.08 1.06 0.00 -1.72 -2.92 119.26 116.98 2kru h ALA 10 Ca 0.17 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2kru h ALA 10 Cb 0.24 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2kru h ALA 10 CO -0.01 -0.20 -0.13 0.93 0.00 0.00 0.00 179.25 179.85 2kru h GLU 11 N -0.70 0.12 -0.38 0.00 4.39 -1.11 0.23 114.58 117.14 2kru h GLU 11 Ca -0.00 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 2kru h GLU 11 Cb 0.62 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 2kru h GLU 11 CO 0.01 0.26 -0.19 -0.22 -1.16 0.00 0.00 179.01 177.70 2kru h LYS 12 N 0.12 0.73 0.17 2.33 3.64 -0.86 0.16 116.57 122.85 2kru h LYS 12 Ca 0.02 -0.27 -0.30 0.00 -1.27 0.00 0.00 60.65 58.83 2kru h LYS 12 Cb 0.30 -0.04 0.02 0.00 -0.41 0.00 0.00 32.23 32.09 2kru h LYS 12 CO 0.02 0.87 -1.36 0.52 -2.27 0.00 0.00 179.45 177.22 2kru h MET 13 N 0.65 0.37 0.00 1.90 2.86 -1.16 -3.24 114.93 116.31 2kru h MET 13 Ca 0.10 -0.63 0.00 0.00 -2.06 0.00 0.00 59.70 57.11 2kru h MET 13 Cb 0.67 0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.57 2kru h MET 13 CO 0.05 1.29 0.00 1.25 1.06 0.00 0.00 176.91 180.56 2kru h LEU 14 N 0.10 0.00 -2.65 1.22 5.85 -0.50 -3.16 115.31 116.17 2kru h LEU 14 Ca -0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2kru h LEU 14 Cb 2.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.08 2kru h LEU 14 CO 0.23 0.00 0.00 1.23 -0.34 0.00 0.00 178.44 179.56 2kru h GLY 15 N 3.59 0.00 2.00 3.75 0.00 -0.70 -0.13 103.07 111.58 2kru h GLY 15 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2kru h GLY 15 CO 0.00 0.00 -0.12 0.50 0.00 0.00 0.00 176.54 176.92 2kru h LYS 16 N 0.00 0.00 -6.12 4.80 1.79 -1.74 -3.42 116.57 111.88 2kru h LYS 16 Ca 0.00 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.90 2kru h LYS 16 Cb 0.11 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.70 2kru h LYS 16 CO 0.00 0.12 0.67 0.08 -1.08 0.00 0.00 179.45 179.24 2kru s VAL 17 N -4.15 4.74 0.83 0.50 1.01 -0.06 -5.03 120.40 118.25 2kru s VAL 17 Ca -0.03 1.98 -0.12 0.00 0.00 0.00 0.00 61.98 63.82 2kru s VAL 17 Cb 0.13 -4.29 0.10 0.00 0.00 0.00 0.00 36.38 32.31 2kru s VAL 17 CO 0.58 -0.09 1.16 -2.84 0.00 0.00 0.00 175.10 173.90 2kru s PRO 18 N 2.68 1.59 0.00 2.72 0.02 -1.26 -4.65 135.00 136.10 2kru s PRO 18 Ca 0.45 1.55 0.16 0.00 0.02 0.00 0.00 61.00 63.18 2kru s PRO 18 Cb -0.16 -1.79 0.72 0.00 0.02 0.00 0.00 34.50 33.29 2kru s PRO 18 CO 0.11 -2.21 1.50 0.34 -0.33 0.00 0.00 177.00 176.41 2kru n PHE 19 N -3.62 0.00 -0.07 6.54 7.35 -1.26 -0.58 117.46 125.81 2kru n PHE 19 Ca 0.12 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.70 2kru n PHE 19 Cb 0.52 -0.43 -0.04 0.00 0.35 0.00 0.00 39.48 39.88 2kru n PHE 19 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 2kru h PHE 20 N 0.00 0.37 -0.01 -5.13 0.04 -2.03 -3.32 116.94 106.86 2kru h PHE 20 Ca 0.00 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.73 2kru h PHE 20 Cb 0.23 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.28 2kru h PHE 20 CO 0.00 0.43 0.00 1.33 -0.60 0.00 0.00 178.31 179.47 2kru n VAL 21 N -4.77 0.86 -0.13 -0.55 0.24 -0.95 -4.75 118.33 108.28 2kru n VAL 21 Ca -0.03 -0.93 -0.04 0.00 -2.04 0.00 0.00 64.34 61.29 2kru n VAL 21 Cb 0.15 0.57 0.04 0.00 -1.47 0.00 0.00 33.84 33.13 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 0.08 0.25 -0.20 7.34 9.65 -0.94 0.11 114.38 130.66 2kru h ARG 22 Ca 0.00 -0.02 -0.17 0.00 -1.10 0.00 0.00 59.98 58.70 2kru h ARG 22 Cb 0.44 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 28.96 2kru h ARG 22 CO 0.00 0.17 -0.56 -0.22 2.80 0.00 0.00 179.97 182.16 2kru h LYS 23 N 0.26 0.61 -0.09 0.20 3.64 -1.85 -1.51 116.57 117.83 2kru h LYS 23 Ca 0.20 -0.39 -0.01 0.00 -1.27 0.00 0.00 60.65 59.18 2kru h LYS 23 Cb 0.23 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2kru h LYS 23 CO -0.24 1.01 0.02 -0.22 -2.27 0.00 0.00 179.45 177.75 2kru h LYS 24 N 0.47 0.15 -0.55 1.90 3.64 -1.68 0.24 116.57 120.74 2kru h LYS 24 Ca 0.01 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 2kru h LYS 24 Cb 1.12 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 2kru h LYS 24 CO 0.11 0.34 0.21 0.28 -2.27 0.00 0.00 179.45 178.12 2kru h VAL 25 N -0.06 1.22 -0.36 2.00 2.07 -0.84 -1.30 116.25 118.99 2kru h VAL 25 Ca 0.03 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 66.86 2kru h VAL 25 Cb 0.25 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 2kru h VAL 25 CO 0.00 0.27 0.20 -0.09 0.02 0.00 0.00 177.57 177.97 2kru h ARG 26 N 0.75 0.39 -0.17 1.57 2.43 -1.07 -2.00 114.38 116.28 2kru h ARG 26 Ca 0.18 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 2kru h ARG 26 Cb 0.21 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2kru h ARG 26 CO -0.01 0.26 -0.04 -0.22 -1.51 0.00 0.00 179.97 178.45 2kru h LYS 27 N 0.40 0.25 -0.56 0.20 3.64 -0.24 0.18 116.57 120.45 2kru h LYS 27 Ca 0.15 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 2kru h LYS 27 Cb 0.03 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 2kru h LYS 27 CO -0.09 0.31 0.16 -0.91 -2.27 0.00 0.00 179.45 176.66 2kru h ASN 28 N 0.25 0.83 -0.05 4.20 2.35 -0.53 -0.83 115.58 121.79 2kru h ASN 28 Ca 0.06 -0.22 -0.19 0.00 -0.55 0.00 0.00 56.30 55.41 2kru h ASN 28 Cb 0.23 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 2kru h ASN 28 CO 0.01 0.83 -0.64 0.71 -1.65 0.00 0.00 177.43 176.69 2kru h THR 29 N 0.79 1.31 -0.11 2.81 1.35 -0.75 -0.37 112.91 117.94 2kru h THR 29 Ca 0.18 -1.89 0.03 0.00 -0.55 0.00 0.00 66.41 64.18 2kru h THR 29 Cb 0.30 1.85 -0.03 0.00 -1.73 0.00 0.00 68.15 68.54 2kru h THR 29 CO -0.00 0.59 -0.07 0.44 -0.25 0.00 0.00 175.52 176.23 2kru h ASP 30 N 0.49 -0.23 0.50 5.36 3.32 -0.51 0.45 116.42 125.79 2kru h ASP 30 Ca -0.01 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 2kru h ASP 30 Cb 1.22 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.89 2kru h ASP 30 CO 0.13 -0.10 -0.22 0.78 -1.72 0.00 0.00 179.24 178.11 2kru h ASN 31 N -0.07 0.00 -0.10 6.45 2.35 -1.12 0.20 115.58 123.29 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 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 2kru h ASN 31 CO -0.16 0.22 -0.25 0.22 -1.65 0.00 0.00 177.43 175.82 2kru h TYR 32 N 0.00 0.43 -0.32 1.19 3.20 0.23 -1.91 116.97 119.78 2kru h TYR 32 Ca -0.00 -0.17 -0.12 0.00 3.14 0.00 0.00 58.73 61.59 2kru h TYR 32 Cb 0.53 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 2kru h TYR 32 CO 0.00 0.86 -0.25 0.00 -1.64 0.00 0.00 178.16 177.13 2kru h ALA 33 N 0.49 0.46 -0.77 1.82 0.00 0.11 -2.71 119.26 118.67 2kru h ALA 33 Ca -0.00 -0.39 0.10 0.00 0.00 0.00 0.00 54.91 54.62 2kru h ALA 33 Cb 0.85 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 2kru h ALA 33 CO 0.05 0.45 0.51 0.00 0.00 0.00 0.00 179.25 180.26 2kru h ARG 34 N 0.50 0.67 -0.17 0.00 3.08 -0.66 0.11 114.38 117.90 2kru h ARG 34 Ca 0.06 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.94 2kru h ARG 34 Cb 0.81 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 2kru h ARG 34 CO 0.07 0.44 -0.43 1.49 -1.07 0.00 0.00 179.97 180.47 2kru h GLU 35 N 0.69 0.41 -0.51 0.04 4.57 -1.04 -2.89 114.58 115.84 2kru h GLU 35 Ca 0.36 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 2kru h GLU 35 Cb 0.47 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 2kru h GLU 35 CO -0.13 0.77 0.00 0.44 -1.18 0.00 0.00 179.01 178.90 2kru n ILE 36 N -4.01 0.69 0.00 2.32 -5.35 -0.69 -4.95 119.36 107.38 2kru n ILE 36 Ca -0.02 -0.85 0.00 0.00 -0.27 0.00 0.00 62.75 61.62 2kru n ILE 36 Cb 0.51 0.80 0.00 0.00 -1.74 0.00 0.00 39.64 39.22 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 1.54 3.26 3.62 3.28 0.00 0.01 -5.01 105.19 111.89 2kru n GLY 37 Ca 0.21 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.77 2kru n GLY 37 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kru n GLU 38 N -1.36 2.09 0.12 1.61 -0.58 0.15 -4.86 120.64 117.81 2kru n GLU 38 Ca 0.00 0.71 0.06 0.00 -0.42 0.00 0.00 57.16 57.50 2kru n GLU 38 Cb 0.00 -2.83 0.02 0.00 -0.57 0.00 0.00 31.44 28.06 2kru n GLU 38 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2kru h PRO 39 N 11.37 0.00 -5.09 3.49 0.13 -1.95 -3.30 132.00 136.64 2kru h PRO 39 Ca -0.44 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.02 2kru h PRO 39 Cb 1.27 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.07 2kru h PRO 39 CO 0.96 0.23 -0.82 0.08 -0.23 0.00 0.00 178.00 178.21 2kru s VAL 40 N -3.10 2.43 -0.44 1.56 1.01 -1.26 -2.24 120.40 118.37 2kru s VAL 40 Ca 0.02 -0.83 -0.22 0.00 0.00 0.00 0.00 61.98 60.95 2kru s VAL 40 Cb 0.08 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.45 2kru s VAL 40 CO 0.76 0.51 0.70 -0.69 0.00 0.00 0.00 175.10 176.38 2kru s VAL 41 N 1.17 4.76 0.59 2.92 1.01 0.86 -4.98 120.40 126.73 2kru s VAL 41 Ca 0.02 0.25 0.06 0.00 0.00 0.00 0.00 61.98 62.31 2kru s VAL 41 Cb -0.14 -4.25 0.09 0.00 0.00 0.00 0.00 36.38 32.08 2kru s VAL 41 CO -0.07 -0.63 0.82 0.42 0.00 0.00 0.00 175.10 175.63 2kru s THR 42 N 3.00 2.28 0.39 3.92 -4.23 -1.26 -2.70 115.64 117.03 2kru s THR 42 Ca 0.25 -0.87 0.06 0.00 -1.18 0.00 0.00 61.69 59.95 2kru s THR 42 Cb -0.13 -2.41 0.25 0.00 1.34 0.00 0.00 72.50 71.55 2kru s THR 42 CO 0.20 0.00 2.03 0.00 -0.54 0.00 0.00 174.62 176.31 2kru h ALA 43 N 0.04 1.63 -0.09 3.99 0.00 -1.93 -0.75 119.26 122.16 2kru h ALA 43 Ca -0.33 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2kru h ALA 43 Cb 1.28 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2kru h ALA 43 CO 0.42 0.33 0.04 0.22 0.00 0.00 0.00 179.25 180.25 2kru h ASP 44 N 0.62 0.11 -0.56 0.00 3.58 -1.96 0.12 116.42 118.33 2kru h ASP 44 Ca 0.16 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2kru h ASP 44 Cb -0.02 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 40.97 2kru h ASP 44 CO -0.03 0.21 0.36 0.58 -2.88 0.00 0.00 179.24 177.47 2kru h VAL 45 N 0.01 1.15 -0.60 2.25 2.07 -1.81 -0.68 116.25 118.65 2kru h VAL 45 Ca 0.03 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 2kru h VAL 45 Cb 0.12 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 2kru h VAL 45 CO -0.00 0.15 0.30 0.15 0.02 0.00 0.00 177.57 178.19 2kru h PHE 46 N 0.75 0.86 -0.34 1.57 3.57 -0.95 -1.57 116.94 120.83 2kru h PHE 46 Ca 0.20 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 2kru h PHE 46 Cb -0.06 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.40 2kru h PHE 46 CO -0.03 0.64 0.03 -0.09 -2.23 0.00 0.00 178.31 176.63 2kru h ARG 47 N 0.82 0.58 -0.29 1.11 2.43 -0.41 -2.02 114.38 116.59 2kru h ARG 47 Ca 0.21 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2kru h ARG 47 Cb 0.10 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 2kru h ARG 47 CO -0.03 0.68 0.09 0.87 -1.51 0.00 0.00 179.97 180.07 2kru h LYS 48 N 0.40 0.42 -0.40 0.20 1.57 -0.98 -1.83 116.57 115.95 2kru h LYS 48 Ca 0.10 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 2kru h LYS 48 Cb 0.40 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2kru h LYS 48 CO 0.01 0.38 0.03 0.00 -0.57 0.00 0.00 179.45 179.29 2kru h ALA 49 N 1.69 0.53 -0.96 3.86 0.00 -0.96 0.78 119.26 124.19 2kru h ALA 49 Ca 0.10 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2kru h ALA 49 Cb 0.14 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 2kru h ALA 49 CO -0.01 0.29 0.64 0.87 0.00 0.00 0.00 179.25 181.04 2kru h LYS 50 N 0.52 1.24 -0.10 0.00 1.57 -0.62 0.13 116.57 119.31 2kru h LYS 50 Ca 0.12 -0.07 -0.21 0.00 -1.87 0.00 0.00 60.65 58.61 2kru h LYS 50 Cb 0.43 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2kru h LYS 50 CO 0.02 0.82 -0.80 0.93 -0.57 0.00 0.00 179.45 179.85 2kru h GLU 51 N 1.28 0.61 -0.52 3.15 4.39 -1.25 -2.39 114.58 119.84 2kru h GLU 51 Ca 0.36 -0.52 -0.03 0.00 0.34 0.00 0.00 59.36 59.51 2kru h GLU 51 Cb -0.11 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 2kru h GLU 51 CO -0.09 1.14 0.23 1.25 -1.16 0.00 0.00 179.01 180.38 2kru h HIS 52 N 0.40 0.78 0.00 4.33 2.76 -0.29 -1.96 115.15 121.17 2kru h HIS 52 Ca -0.05 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.07 2kru h HIS 52 Cb 1.41 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 30.13 2kru h HIS 52 CO 0.07 0.63 0.00 1.28 -1.30 0.00 0.00 177.93 178.61 2kru n LEU 53 N -4.55 0.00 0.00 0.26 4.77 0.39 -4.90 117.00 112.97 2kru n LEU 53 Ca 0.02 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 2kru n LEU 53 Cb 0.14 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2kru n LEU 53 CO 0.38 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2kru n GLY 54 N 1.00 1.94 5.00 -0.72 0.00 -0.74 -4.70 105.19 106.96 2kru n GLY 54 Ca 0.15 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 1.48 2.83 -0.02 0.00 -1.06 -4.73 105.19 103.69 2kru n GLY 55 Ca 0.00 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 2kru n GLY 55 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kru s LEU 56 N 0.00 1.53 0.00 0.99 0.20 -1.26 -5.14 118.68 115.00 2kru s LEU 56 Ca 0.00 -0.77 0.04 0.00 0.69 0.00 0.00 54.13 54.08 2kru s LEU 56 Cb 0.00 -0.79 0.09 0.00 -0.43 0.00 0.00 46.19 45.05 2kru s LEU 56 CO 0.00 -0.24 0.66 -0.62 -0.29 0.00 0.00 176.35 175.86 2kru n GLU 57 N 4.93 0.40 0.00 1.98 -0.58 -1.26 -4.07 120.64 122.04 2kru n GLU 57 Ca -0.10 -2.14 0.00 0.00 -0.42 0.00 0.00 57.16 54.50 2kru n GLU 57 Cb 0.47 -0.33 0.00 0.00 -0.57 0.00 0.00 31.44 31.01 2kru n GLU 57 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2kru n HIS 58 N -2.19 0.00 -3.64 -0.32 -0.00 -1.26 -4.52 115.22 103.28 2kru n HIS 58 Ca 0.12 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.27 2kru n HIS 58 Cb 0.44 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.24 2kru n HIS 58 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kru s HIS 59 N 0.00 -0.56 0.28 1.57 3.76 -1.26 -5.03 115.29 114.04 2kru s HIS 59 Ca 0.00 1.13 -0.03 0.00 -0.15 0.00 0.00 55.06 56.02 2kru s HIS 59 Cb 0.00 0.34 0.38 0.00 1.11 0.00 0.00 32.58 34.41 2kru s HIS 59 CO 0.00 -0.28 1.88 1.25 -0.85 0.00 0.00 174.74 176.74 2kru h HIS 60 N 5.89 1.00 -2.36 1.40 2.76 -1.80 -3.45 115.15 118.60 2kru h HIS 60 Ca -0.28 -0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 57.81 2kru h HIS 60 Cb 1.19 -0.31 -0.16 0.00 1.55 0.00 0.00 27.41 29.67 2kru h HIS 60 CO 0.13 0.73 0.22 -1.01 -1.30 0.00 0.00 177.93 176.70 2kru s HIS 61 N -5.58 -0.60 0.21 5.26 3.76 -1.26 -5.02 115.29 112.07 2kru s HIS 61 Ca -0.11 0.79 0.02 0.00 -0.15 0.00 0.00 55.06 55.61 2kru s HIS 61 Cb 0.17 0.47 0.17 0.00 1.11 0.00 0.00 32.58 34.50 2kru s HIS 61 CO 0.80 -0.69 1.51 1.25 -0.85 0.00 0.00 174.74 176.77 2kru h HIS 62 N 2.59 0.42 0.00 1.40 2.76 -2.01 -3.54 115.15 116.77 2kru h HIS 62 Ca -0.29 -0.17 0.00 0.00 -2.20 0.00 0.00 60.37 57.71 2kru h HIS 62 Cb 1.21 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.09 2kru h HIS 62 CO 0.32 0.87 0.00 1.58 -1.30 0.00 0.00 177.93 179.40