#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 2.75 2.74 3.03 0.00 -1.26 -5.10 105.19 107.35 2kru n GLY 2 Ca 0.00 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 2kru n GLY 2 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kru n GLU 3 N 0.00 1.01 0.00 1.61 4.71 -1.26 -5.05 120.64 121.65 2kru n GLU 3 Ca 0.00 -2.80 0.00 0.00 -0.01 0.00 0.00 57.16 54.35 2kru n GLU 3 Cb 0.00 0.85 0.00 0.00 -1.01 0.00 0.00 31.44 31.28 2kru n GLU 3 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2kru n LEU 4 N 0.00 0.00 -3.15 -4.62 4.77 -1.26 -5.10 117.00 107.64 2kru n LEU 4 Ca -0.14 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 55.88 2kru n LEU 4 Cb 0.49 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.57 2kru n LEU 4 CO 0.26 0.00 0.37 -0.55 -1.33 0.00 0.00 177.39 176.14 2kru s SER 5 N -1.00 -0.93 -0.24 -1.43 0.15 -1.24 -5.01 113.70 104.01 2kru s SER 5 Ca 0.00 0.45 -0.13 0.00 0.70 0.00 0.00 55.95 56.97 2kru s SER 5 Cb 0.00 1.73 -0.04 0.00 -1.71 0.00 0.00 66.02 65.99 2kru s SER 5 CO 0.00 -0.17 0.27 0.26 1.20 0.00 0.00 173.24 174.80 2kru s TRP 6 N 2.91 3.32 0.79 3.44 0.52 -1.26 -0.11 118.94 128.54 2kru s TRP 6 Ca 0.11 0.37 -0.12 0.00 0.02 0.00 0.00 56.10 56.49 2kru s TRP 6 Cb -0.11 -2.41 0.07 0.00 -1.15 0.00 0.00 33.47 29.87 2kru s TRP 6 CO -0.18 -0.02 1.12 0.95 0.02 0.00 0.00 176.95 178.84 2kru s THR 7 N 1.35 2.84 0.28 2.01 -4.23 -0.81 -4.92 115.64 112.16 2kru s THR 7 Ca 0.12 0.27 -0.02 0.00 -1.18 0.00 0.00 61.69 60.89 2kru s THR 7 Cb -0.14 -3.13 0.16 0.00 1.34 0.00 0.00 72.50 70.73 2kru s THR 7 CO 0.07 -0.36 1.83 0.00 -0.54 0.00 0.00 174.62 175.63 2kru h ALA 8 N -1.03 1.22 -0.90 3.99 0.00 -1.98 -2.37 119.26 118.19 2kru h ALA 8 Ca -0.47 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.27 2kru h ALA 8 Cb 1.28 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 2kru h ALA 8 CO 0.62 0.55 0.59 0.93 0.00 0.00 0.00 179.25 181.94 2kru h GLU 9 N 0.85 1.15 -0.31 0.00 4.39 -1.93 -0.28 114.58 118.45 2kru h GLU 9 Ca 0.19 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.77 2kru h GLU 9 Cb 0.25 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2kru h GLU 9 CO -0.01 0.76 0.00 0.00 -1.16 0.00 0.00 179.01 178.61 2kru h ALA 10 N 1.34 0.42 -0.30 3.43 0.00 -1.72 -2.87 119.26 119.55 2kru h ALA 10 Ca 0.34 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2kru h ALA 10 Cb -0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2kru h ALA 10 CO -0.09 0.17 0.03 0.93 0.00 0.00 0.00 179.25 180.29 2kru h GLU 11 N 0.35 0.45 -0.61 0.00 4.39 -1.00 0.85 114.58 119.00 2kru h GLU 11 Ca 0.09 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 2kru h GLU 11 Cb 0.43 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 2kru h GLU 11 CO 0.02 0.45 0.35 0.87 -1.16 0.00 0.00 179.01 179.54 2kru h LYS 12 N 0.44 0.84 0.01 2.33 1.57 -0.85 0.81 116.57 121.73 2kru h LYS 12 Ca 0.10 -0.09 -0.21 0.00 -1.87 0.00 0.00 60.65 58.58 2kru h LYS 12 Cb 0.24 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2kru h LYS 12 CO 0.00 0.62 -1.01 0.52 -0.57 0.00 0.00 179.45 179.01 2kru h MET 13 N 0.83 0.03 0.00 3.15 2.86 -1.30 -3.18 114.93 117.32 2kru h MET 13 Ca 0.22 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.74 2kru h MET 13 Cb 0.01 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2kru h MET 13 CO -0.04 1.01 -0.30 1.25 1.06 0.00 0.00 176.91 179.89 2kru h LEU 14 N 0.01 0.00 -1.84 1.22 5.85 -0.48 -1.30 115.31 118.77 2kru h LEU 14 Ca -0.02 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 2kru h LEU 14 Cb 1.76 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.79 2kru h LEU 14 CO 0.14 0.30 -0.00 1.23 -0.34 0.00 0.00 178.44 179.76 2kru h GLY 15 N 1.17 0.00 2.00 3.75 0.00 -0.82 -1.12 103.07 108.05 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 0.04 0.00 0.00 0.50 0.00 0.00 0.00 176.54 177.08 2kru h LYS 16 N 0.00 0.00 -5.65 4.80 1.79 -1.32 -3.43 116.57 112.76 2kru h LYS 16 Ca -0.00 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.88 2kru h LYS 16 Cb 0.39 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 30.95 2kru h LYS 16 CO 0.00 0.00 -0.09 0.08 -1.08 0.00 0.00 179.45 178.36 2kru s VAL 17 N -3.29 5.15 0.41 0.50 1.01 -0.42 -5.04 120.40 118.71 2kru s VAL 17 Ca 0.06 0.96 -0.25 0.00 0.00 0.00 0.00 61.98 62.75 2kru s VAL 17 Cb 0.09 -3.83 -0.11 0.00 0.00 0.00 0.00 36.38 32.53 2kru s VAL 17 CO 0.55 0.25 1.16 -2.65 0.00 0.00 0.00 175.10 174.41 2kru n PRO 18 N 4.22 1.69 -0.29 2.72 -0.02 -1.26 -4.54 135.00 137.52 2kru n PRO 18 Ca -0.06 0.60 0.27 0.00 -2.02 0.00 0.00 63.50 62.29 2kru n PRO 18 Cb 0.51 -2.21 0.62 0.00 -0.02 0.00 0.00 33.50 32.39 2kru n PRO 18 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 2kru h PHE 19 N 1.91 0.34 -0.62 6.00 0.04 -1.93 0.27 116.94 122.95 2kru h PHE 19 Ca -0.46 0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.37 2kru h PHE 19 Cb 1.31 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 39.33 2kru h PHE 19 CO 0.46 0.04 0.41 0.74 -0.60 0.00 0.00 178.31 179.36 2kru h PHE 20 N 0.21 0.66 0.00 -0.55 0.04 -2.03 -3.03 116.94 112.25 2kru h PHE 20 Ca 0.54 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.33 2kru h PHE 20 Cb 1.73 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 39.66 2kru h PHE 20 CO -0.00 0.38 0.00 1.33 -0.60 0.00 0.00 178.31 179.41 2kru n VAL 21 N -4.47 0.00 -0.02 -0.55 0.24 -0.36 -4.69 118.33 108.48 2kru n VAL 21 Ca 0.08 -0.44 -0.11 0.00 -2.04 0.00 0.00 64.34 61.83 2kru n VAL 21 Cb 0.17 1.11 -0.05 0.00 -1.47 0.00 0.00 33.84 33.60 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 0.00 0.18 -0.56 7.34 2.43 -0.41 0.23 114.38 123.59 2kru h ARG 22 Ca 0.00 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 2kru h ARG 22 Cb 0.05 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 2kru h ARG 22 CO 0.00 0.20 -0.00 -0.22 -1.51 0.00 0.00 179.97 178.44 2kru h LYS 23 N 0.11 0.99 0.00 0.20 3.64 -1.85 -0.05 116.57 119.61 2kru h LYS 23 Ca 0.04 -0.32 0.02 0.00 -1.27 0.00 0.00 60.65 59.13 2kru h LYS 23 Cb 0.08 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 2kru h LYS 23 CO -0.01 0.99 -0.12 -0.22 -2.27 0.00 0.00 179.45 177.83 2kru h LYS 24 N 0.88 -0.20 -0.43 1.90 3.64 -1.76 -0.24 116.57 120.36 2kru h LYS 24 Ca 0.16 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 2kru h LYS 24 Cb 0.55 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 2kru h LYS 24 CO 0.03 -0.13 0.09 0.28 -2.27 0.00 0.00 179.45 177.45 2kru h VAL 25 N -0.20 1.24 -0.06 2.00 2.07 -0.44 -2.48 116.25 118.37 2kru h VAL 25 Ca 0.04 -0.83 0.03 0.00 0.82 0.00 0.00 66.70 66.76 2kru h VAL 25 Cb 0.26 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 2kru h VAL 25 CO -0.12 0.29 -0.15 -0.09 0.02 0.00 0.00 177.57 177.53 2kru h ARG 26 N 0.56 -0.21 -0.51 1.57 2.43 -0.78 -1.23 114.38 116.21 2kru h ARG 26 Ca 0.13 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.42 2kru h ARG 26 Cb 0.34 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 2kru h ARG 26 CO 0.00 -0.14 0.35 -0.22 -1.51 0.00 0.00 179.97 178.46 2kru h LYS 27 N -0.22 0.24 -0.00 0.20 3.64 -0.95 -0.04 116.57 119.44 2kru h LYS 27 Ca 0.07 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.27 2kru h LYS 27 Cb 0.31 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 2kru h LYS 27 CO -0.19 0.16 -0.78 -0.91 -2.27 0.00 0.00 179.45 175.46 2kru h ASN 28 N 0.25 0.07 0.38 4.20 2.35 -0.79 -3.02 115.58 119.02 2kru h ASN 28 Ca 0.24 -0.06 -0.22 0.00 -0.55 0.00 0.00 56.30 55.71 2kru h ASN 28 Cb 0.62 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.97 2kru h ASN 28 CO -0.05 0.82 -0.94 0.74 -1.65 0.00 0.00 177.43 176.35 2kru h THR 29 N 0.03 1.42 -0.67 2.81 2.02 -0.11 0.10 112.91 118.52 2kru h THR 29 Ca -0.02 -2.49 0.00 0.00 0.77 0.00 0.00 66.41 64.68 2kru h THR 29 Cb 1.37 2.44 -0.03 0.00 -1.74 0.00 0.00 68.15 70.19 2kru h THR 29 CO 0.11 0.74 0.43 0.44 0.37 0.00 0.00 175.52 177.60 2kru h ASP 30 N 0.21 0.78 1.38 4.18 3.32 -1.38 0.29 116.42 125.20 2kru h ASP 30 Ca -0.08 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 56.87 2kru h ASP 30 Cb 1.58 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.92 2kru h ASP 30 CO 0.16 0.58 -0.34 0.78 -1.72 0.00 0.00 179.24 178.70 2kru h ASN 31 N 0.91 0.00 0.18 6.45 2.35 -1.37 -2.74 115.58 121.36 2kru h ASN 31 Ca 0.24 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 2kru h ASN 31 Cb -0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.29 2kru h ASN 31 CO -0.05 0.34 -0.09 0.22 -1.65 0.00 0.00 177.43 176.20 2kru h TYR 32 N 0.00 -0.23 -0.55 1.19 3.20 0.11 -2.76 116.97 117.93 2kru h TYR 32 Ca -0.00 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 2kru h TYR 32 Cb 1.12 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.45 2kru h TYR 32 CO 0.00 0.16 -0.00 0.00 -1.64 0.00 0.00 178.16 176.68 2kru h ALA 33 N -0.46 0.96 -0.10 1.82 0.00 -0.62 -1.82 119.26 119.04 2kru h ALA 33 Ca -0.03 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 2kru h ALA 33 Cb 0.49 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2kru h ALA 33 CO 0.04 0.63 -0.14 -0.09 0.00 0.00 0.00 179.25 179.69 2kru h ARG 34 N 0.87 0.16 -0.13 0.00 2.43 -1.61 0.62 114.38 116.71 2kru h ARG 34 Ca 0.16 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 2kru h ARG 34 Cb 0.51 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 2kru h ARG 34 CO 0.03 0.31 0.03 1.49 -1.51 0.00 0.00 179.97 180.31 2kru h GLU 35 N 0.15 0.22 0.00 0.20 4.57 -1.04 -3.22 114.58 115.46 2kru h GLU 35 Ca 0.03 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2kru h GLU 35 Cb 0.35 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 2kru h GLU 35 CO 0.02 0.38 -0.46 -0.84 -1.18 0.00 0.00 179.01 176.93 2kru h ILE 36 N 0.01 0.00 0.00 2.32 3.07 -1.01 -3.47 117.51 118.43 2kru h ILE 36 Ca 0.04 -0.93 0.00 0.00 1.55 0.00 0.00 64.86 65.52 2kru h ILE 36 Cb 0.26 1.69 0.00 0.00 -0.27 0.00 0.00 36.82 38.50 2kru h ILE 36 CO 0.00 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.71 2kru n GLY 37 N 1.16 1.55 3.28 0.16 0.00 0.64 -5.09 105.19 106.90 2kru n GLY 37 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 2kru n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kru s GLU 38 N -0.50 2.61 0.43 1.61 2.56 0.18 -4.96 118.70 120.64 2kru s GLU 38 Ca 0.00 -1.27 0.23 0.00 0.00 0.00 0.00 54.97 53.93 2kru s GLU 38 Cb 0.00 -3.59 0.54 0.00 2.00 0.00 0.00 34.13 33.07 2kru s GLU 38 CO 0.00 -0.77 1.67 -1.35 -0.56 0.00 0.00 175.26 174.25 2kru h PRO 39 N 8.29 0.00 -4.79 4.30 0.11 -1.97 -3.35 132.00 134.59 2kru h PRO 39 Ca -0.23 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.24 2kru h PRO 39 Cb 1.08 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 31.83 2kru h PRO 39 CO 0.66 0.12 -0.82 0.08 -0.21 0.00 0.00 178.00 177.83 2kru s VAL 40 N -3.30 1.89 -0.60 3.15 1.01 -1.26 -3.62 120.40 117.67 2kru s VAL 40 Ca 0.05 -1.13 -0.25 0.00 0.00 0.00 0.00 61.98 60.65 2kru s VAL 40 Cb 0.07 -1.88 0.04 0.00 0.00 0.00 0.00 36.38 34.61 2kru s VAL 40 CO 0.66 0.24 1.04 -0.69 0.00 0.00 0.00 175.10 176.34 2kru s VAL 41 N 1.30 4.22 0.40 2.92 1.01 0.84 -4.94 120.40 126.15 2kru s VAL 41 Ca -0.01 0.29 0.06 0.00 0.00 0.00 0.00 61.98 62.31 2kru s VAL 41 Cb -0.16 -4.65 0.07 0.00 0.00 0.00 0.00 36.38 31.64 2kru s VAL 41 CO -0.09 -1.32 0.55 0.35 0.00 0.00 0.00 175.10 174.59 2kru n THR 42 N 6.25 0.00 0.02 3.92 -2.24 -1.26 -1.92 114.28 119.05 2kru n THR 42 Ca 0.02 -1.26 0.02 0.00 -2.27 0.00 0.00 64.05 60.56 2kru n THR 42 Cb 0.48 -0.73 0.36 0.00 -2.10 0.00 0.00 70.33 68.34 2kru n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kru h ALA 43 N 0.13 1.52 -0.66 6.98 0.00 -1.94 -2.52 119.26 122.77 2kru h ALA 43 Ca -0.19 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 2kru h ALA 43 Cb 0.83 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2kru h ALA 43 CO 0.25 0.36 0.14 -0.44 0.00 0.00 0.00 179.25 179.57 2kru h ASP 44 N 0.48 1.02 -0.66 0.00 3.32 -1.97 -1.79 116.42 116.82 2kru h ASP 44 Ca 0.11 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 2kru h ASP 44 Cb 0.18 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 2kru h ASP 44 CO -0.00 1.00 0.36 0.58 -1.72 0.00 0.00 179.24 179.45 2kru h VAL 45 N 0.99 1.21 -0.54 -1.35 2.07 -1.82 -0.73 116.25 116.08 2kru h VAL 45 Ca 0.21 -0.53 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 2kru h VAL 45 Cb 0.39 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 2kru h VAL 45 CO 0.01 0.23 0.11 0.15 0.02 0.00 0.00 177.57 178.08 2kru h PHE 46 N 0.90 0.87 -0.26 1.57 3.57 -1.22 0.17 116.94 122.54 2kru h PHE 46 Ca 0.23 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 2kru h PHE 46 Cb 0.05 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 2kru h PHE 46 CO -0.01 0.74 0.09 -0.09 -2.23 0.00 0.00 178.31 176.81 2kru h ARG 47 N 0.80 0.40 -0.07 1.11 9.65 -0.68 -3.01 114.38 122.58 2kru h ARG 47 Ca 0.17 -0.08 -0.14 0.00 -1.10 0.00 0.00 59.98 58.83 2kru h ARG 47 Cb 0.33 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.83 2kru h ARG 47 CO 0.00 0.45 -0.58 0.87 2.80 0.00 0.00 179.97 183.52 2kru h LYS 48 N 0.26 0.22 -0.91 0.20 1.57 -0.85 -3.12 116.57 113.95 2kru h LYS 48 Ca 0.08 -0.15 0.08 0.00 -1.87 0.00 0.00 60.65 58.80 2kru h LYS 48 Cb 0.22 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.48 2kru h LYS 48 CO -0.00 0.74 0.59 0.00 -0.57 0.00 0.00 179.45 180.21 2kru h ALA 49 N 1.23 1.55 -0.74 3.86 0.00 -0.54 -2.29 119.26 122.33 2kru h ALA 49 Ca -0.00 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.98 2kru h ALA 49 Cb 1.07 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 2kru h ALA 49 CO 0.09 0.30 0.39 0.87 0.00 0.00 0.00 179.25 180.89 2kru h LYS 50 N 0.99 0.64 -0.41 0.00 1.79 -1.46 0.23 116.57 118.34 2kru h LYS 50 Ca 0.41 -0.04 -0.08 0.00 -2.18 0.00 0.00 60.65 58.75 2kru h LYS 50 Cb 0.28 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 2kru h LYS 50 CO -0.16 0.42 -0.09 0.93 -1.08 0.00 0.00 179.45 179.47 2kru h GLU 51 N 0.66 0.72 0.21 3.15 5.08 -1.55 -0.03 114.58 122.81 2kru h GLU 51 Ca 0.36 -0.22 -0.33 0.00 -1.00 0.00 0.00 59.36 58.17 2kru h GLU 51 Cb 0.35 -0.07 0.02 0.00 0.50 0.00 0.00 28.75 29.56 2kru h GLU 51 CO -0.26 0.79 -1.49 1.25 -1.00 0.00 0.00 179.01 178.31 2kru h HIS 52 N 0.66 0.81 0.02 4.33 2.76 -1.28 -3.37 115.15 119.08 2kru h HIS 52 Ca 0.12 -0.59 -0.17 0.00 -2.20 0.00 0.00 60.37 57.52 2kru h HIS 52 Cb 0.53 -0.03 0.02 0.00 1.55 0.00 0.00 27.41 29.48 2kru h HIS 52 CO 0.03 1.52 -0.69 -0.07 -1.30 0.00 0.00 177.93 177.41 2kru h LEU 53 N 0.12 0.57 0.00 0.26 3.38 -0.51 -3.47 115.31 115.66 2kru h LEU 53 Ca -0.25 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 56.93 2kru h LEU 53 Cb 2.11 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.69 2kru h LEU 53 CO 0.24 1.29 0.00 0.61 0.09 0.00 0.00 178.44 180.67 2kru n GLY 54 N 1.17 -0.72 0.00 0.83 0.00 -0.09 -5.08 105.19 101.29 2kru n GLY 54 Ca -0.11 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 -1.80 0.14 -0.02 0.00 -0.78 -4.84 105.19 97.89 2kru n GLY 55 Ca 0.00 0.69 -0.13 0.00 0.00 0.00 0.00 46.02 46.59 2kru n GLY 55 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kru h LEU 56 N 0.00 0.39 -8.51 0.99 3.38 -1.81 -3.35 115.31 106.40 2kru h LEU 56 Ca 0.00 -0.43 -0.22 0.00 0.09 0.00 0.00 57.88 57.32 2kru h LEU 56 Cb 0.00 -0.11 -0.15 0.00 0.09 0.00 0.00 40.66 40.49 2kru h LEU 56 CO 0.00 0.74 -0.66 -1.83 0.09 0.00 0.00 178.44 176.78 2kru s GLU 57 N -4.51 0.97 -0.52 1.13 4.04 -1.26 -5.02 118.70 113.52 2kru s GLU 57 Ca -0.14 -1.45 -0.01 0.00 0.04 0.00 0.00 54.97 53.41 2kru s GLU 57 Cb 0.06 0.00 0.14 0.00 0.02 0.00 0.00 34.13 34.35 2kru s GLU 57 CO 0.75 -0.18 0.31 -1.01 -1.84 0.00 0.00 175.26 173.29 2kru s HIS 58 N -3.85 3.44 -0.87 4.83 3.76 -1.26 -4.86 115.29 116.49 2kru s HIS 58 Ca 0.22 -2.76 -0.04 0.00 -0.15 0.00 0.00 55.06 52.33 2kru s HIS 58 Cb 0.07 -3.10 -0.02 0.00 1.11 0.00 0.00 32.58 30.63 2kru s HIS 58 CO 0.01 -0.86 0.76 1.58 -0.85 0.00 0.00 174.74 175.38 2kru n HIS 59 N 3.76 -2.67 0.00 1.40 -0.00 -1.26 -4.90 115.22 111.55 2kru n HIS 59 Ca 0.04 0.97 0.00 0.00 -0.00 0.00 0.00 57.72 58.74 2kru n HIS 59 Cb 0.38 -3.95 0.00 0.00 -0.00 0.00 0.00 29.99 26.42 2kru n HIS 59 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kru n HIS 60 N -2.47 0.00 -2.21 1.57 8.25 -1.26 -5.02 115.22 114.07 2kru n HIS 60 Ca -0.05 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.25 2kru n HIS 60 Cb 0.56 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.65 2kru n HIS 60 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kru n HIS 61 N -0.08 -0.68 -2.94 4.41 8.25 -1.26 -4.96 115.22 117.96 2kru n HIS 61 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 2kru n HIS 61 Cb 0.00 -3.23 -0.05 0.00 1.12 0.00 0.00 29.99 27.83 2kru n HIS 61 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kru s HIS 62 N -2.78 3.12 0.00 4.41 5.65 -1.26 -5.22 115.29 119.22 2kru s HIS 62 Ca 0.00 0.62 0.00 0.00 0.25 0.00 0.00 55.06 55.93 2kru s HIS 62 Cb 0.00 -3.39 0.00 0.00 -1.18 0.00 0.00 32.58 28.01 2kru s HIS 62 CO 0.00 -0.71 0.00 1.58 -0.65 0.00 0.00 174.74 174.96