#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 1.49 3.75 -5.12 0.00 -1.26 -5.08 105.19 98.97 2kru n GLY 2 Ca 0.00 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.61 2.74 0.91 1.61 8.01 -1.26 -5.13 118.70 124.98 2kru s GLU 3 Ca 0.11 -0.88 -0.14 0.00 0.01 0.00 0.00 54.97 54.07 2kru s GLU 3 Cb 0.11 -2.58 0.17 0.00 -4.31 0.00 0.00 34.13 27.52 2kru s GLU 3 CO -0.02 0.50 1.27 -0.51 0.01 0.00 0.00 175.26 176.51 2kru s LEU 4 N -2.83 2.70 -0.22 1.80 1.43 -1.26 -5.03 118.68 115.27 2kru s LEU 4 Ca 0.29 0.31 -0.23 0.00 -1.03 0.00 0.00 54.13 53.47 2kru s LEU 4 Cb -0.10 -2.46 -0.02 0.00 0.03 0.00 0.00 46.19 43.64 2kru s LEU 4 CO 0.21 -2.51 0.73 -0.44 0.23 0.00 0.00 176.35 174.57 2kru s SER 5 N -4.82 6.75 -0.15 2.29 0.01 -0.30 -4.95 113.70 112.53 2kru s SER 5 Ca 0.71 0.93 -0.05 0.00 1.31 0.00 0.00 55.95 58.85 2kru s SER 5 Cb -0.05 -2.39 -0.03 0.00 0.21 0.00 0.00 66.02 63.75 2kru s SER 5 CO 0.52 -0.40 0.01 0.26 0.41 0.00 0.00 173.24 174.04 2kru s TRP 6 N 2.40 3.15 0.23 2.43 0.52 -1.26 0.34 118.94 126.74 2kru s TRP 6 Ca 0.32 -0.05 0.02 0.00 0.02 0.00 0.00 56.10 56.41 2kru s TRP 6 Cb -0.16 -1.97 -0.03 0.00 -1.15 0.00 0.00 33.47 30.16 2kru s TRP 6 CO 0.09 0.15 0.39 0.95 0.02 0.00 0.00 176.95 178.55 2kru s THR 7 N 0.09 5.23 0.55 2.01 -4.23 -1.03 -4.98 115.64 113.28 2kru s THR 7 Ca 0.02 -0.68 0.29 0.00 -1.18 0.00 0.00 61.69 60.15 2kru s THR 7 Cb -0.13 -3.80 0.34 0.00 1.34 0.00 0.00 72.50 70.25 2kru s THR 7 CO 0.02 -0.28 2.22 0.00 -0.54 0.00 0.00 174.62 176.03 2kru h ALA 8 N 1.50 1.47 -0.22 3.99 0.00 -1.98 -1.42 119.26 122.60 2kru h ALA 8 Ca -0.50 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 2kru h ALA 8 Cb 1.21 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2kru h ALA 8 CO 0.64 0.03 -0.00 0.93 0.00 0.00 0.00 179.25 180.86 2kru h GLU 9 N 0.00 0.39 -0.17 0.00 5.08 -1.94 -0.11 114.58 117.84 2kru h GLU 9 Ca -0.00 -0.12 -0.16 0.00 -1.00 0.00 0.00 59.36 58.07 2kru h GLU 9 Cb 0.07 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2kru h GLU 9 CO 0.00 0.58 -0.52 0.00 -1.00 0.00 0.00 179.01 178.07 2kru h ALA 10 N 0.80 0.29 -0.03 3.43 0.00 -1.64 -3.20 119.26 118.91 2kru h ALA 10 Ca 0.06 -0.51 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 2kru h ALA 10 Cb 0.40 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2kru h ALA 10 CO 0.01 0.49 -0.33 0.93 0.00 0.00 0.00 179.25 180.35 2kru h GLU 11 N 0.33 0.05 -0.53 0.00 5.08 -1.28 -1.42 114.58 116.81 2kru h GLU 11 Ca -0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2kru h GLU 11 Cb 1.15 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 2kru h GLU 11 CO 0.11 0.37 0.33 -0.22 -1.00 0.00 0.00 179.01 178.61 2kru h LYS 12 N 0.04 0.70 0.14 2.33 3.64 -1.00 0.27 116.57 122.70 2kru h LYS 12 Ca 0.00 -0.05 -0.28 0.00 -1.27 0.00 0.00 60.65 59.05 2kru h LYS 12 Cb 0.60 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2kru h LYS 12 CO 0.04 0.48 -1.26 0.52 -2.27 0.00 0.00 179.45 176.96 2kru h MET 13 N 0.72 0.30 0.00 1.90 2.86 -1.42 -3.26 114.93 116.02 2kru h MET 13 Ca 0.19 -0.51 -0.08 0.00 -2.06 0.00 0.00 59.70 57.24 2kru h MET 13 Cb -0.05 0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 2kru h MET 13 CO -0.04 1.24 -0.39 1.25 1.06 0.00 0.00 176.91 180.03 2kru h LEU 14 N 0.08 0.00 -0.13 1.22 5.85 -0.71 -2.37 115.31 119.25 2kru h LEU 14 Ca -0.14 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2kru h LEU 14 Cb 1.99 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.02 2kru h LEU 14 CO 0.21 0.39 0.00 0.61 -0.34 0.00 0.00 178.44 179.31 2kru n GLY 15 N -0.17 -0.99 0.47 3.75 0.00 0.92 -1.13 105.19 108.03 2kru n GLY 15 Ca -0.01 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.13 2kru n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kru n LYS 16 N -1.62 1.65 -4.32 1.61 4.76 -0.89 -4.84 118.16 114.50 2kru n LYS 16 Ca 0.03 -0.94 -0.34 0.00 -2.87 0.00 0.00 58.31 54.19 2kru n LYS 16 Cb 0.16 -1.48 -0.11 0.00 -1.84 0.00 0.00 35.03 31.76 2kru n LYS 16 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2kru s VAL 17 N -2.00 4.15 0.37 -0.18 1.01 -0.28 -5.08 120.40 118.39 2kru s VAL 17 Ca 0.38 -0.27 -0.25 0.00 0.00 0.00 0.00 61.98 61.84 2kru s VAL 17 Cb 0.21 -2.82 -0.12 0.00 0.00 0.00 0.00 36.38 33.65 2kru s VAL 17 CO 0.33 0.51 0.92 -2.65 0.00 0.00 0.00 175.10 174.21 2kru n PRO 18 N 3.25 1.18 0.13 2.72 -0.02 -1.26 -4.65 135.00 136.35 2kru n PRO 18 Ca -0.17 0.42 0.16 0.00 -2.02 0.00 0.00 63.50 61.88 2kru n PRO 18 Cb 0.53 -1.85 0.71 0.00 -0.02 0.00 0.00 33.50 32.86 2kru n PRO 18 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2kru h PHE 19 N 1.55 0.00 -0.00 6.00 -0.00 -1.96 -0.38 116.94 122.15 2kru h PHE 19 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.55 2kru h PHE 19 Cb 1.35 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.30 2kru h PHE 19 CO 0.44 0.00 -0.11 1.97 -0.00 0.00 0.00 178.31 180.61 2kru n PHE 20 N -4.30 0.00 -0.03 6.09 1.16 -1.26 -3.19 117.46 115.93 2kru n PHE 20 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.62 2kru n PHE 20 Cb 0.38 -0.38 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 2kru n PHE 20 CO 0.00 0.00 0.00 1.33 -1.87 0.00 0.00 176.76 176.22 2kru n VAL 21 N -1.40 0.00 -0.32 1.97 0.24 -0.29 -4.65 118.33 113.88 2kru n VAL 21 Ca 0.09 -0.48 -0.04 0.00 -2.04 0.00 0.00 64.34 61.86 2kru n VAL 21 Cb 0.32 1.03 0.09 0.00 -1.47 0.00 0.00 33.84 33.81 2kru n VAL 21 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2kru h ARG 22 N 0.00 1.23 -0.03 7.34 3.08 -1.13 -2.54 114.38 122.33 2kru h ARG 22 Ca 0.00 -0.17 -0.11 0.00 0.07 0.00 0.00 59.98 59.77 2kru h ARG 22 Cb 0.02 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 2kru h ARG 22 CO 0.00 0.93 -0.49 0.87 -1.07 0.00 0.00 179.97 180.21 2kru h LYS 23 N 1.23 0.07 -0.42 0.04 1.79 -1.83 0.34 116.57 117.79 2kru h LYS 23 Ca 0.30 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.72 2kru h LYS 23 Cb 0.09 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.72 2kru h LYS 23 CO -0.04 0.55 0.24 -0.22 -1.08 0.00 0.00 179.45 178.89 2kru h LYS 24 N 0.06 0.59 0.01 3.15 3.64 -1.75 -1.32 116.57 120.96 2kru h LYS 24 Ca -0.00 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2kru h LYS 24 Cb 0.89 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 2kru h LYS 24 CO 0.07 0.46 -0.01 0.28 -2.27 0.00 0.00 179.45 177.98 2kru h VAL 25 N 0.55 1.52 -0.64 2.00 2.07 -1.16 -3.07 116.25 117.51 2kru h VAL 25 Ca 0.15 -1.78 -0.01 0.00 0.82 0.00 0.00 66.70 65.88 2kru h VAL 25 Cb 0.04 2.70 -0.03 0.00 -1.52 0.00 0.00 31.29 32.48 2kru h VAL 25 CO -0.02 0.45 0.37 -0.09 0.02 0.00 0.00 177.57 178.29 2kru h ARG 26 N -0.81 0.89 -0.19 1.57 2.43 -0.34 0.22 114.38 118.15 2kru h ARG 26 Ca -0.00 -0.09 -0.14 0.00 -0.81 0.00 0.00 59.98 58.94 2kru h ARG 26 Cb 0.75 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 2kru h ARG 26 CO 0.00 0.65 -0.47 -0.22 -1.51 0.00 0.00 179.97 178.43 2kru h LYS 27 N 0.88 0.48 -0.25 0.20 3.64 -1.40 -0.77 116.57 119.34 2kru h LYS 27 Ca 0.23 -0.26 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 2kru h LYS 27 Cb 0.01 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2kru h LYS 27 CO -0.04 0.85 -0.08 -0.97 -2.27 0.00 0.00 179.45 176.94 2kru h ASN 28 N 0.38 0.49 -0.34 4.20 -0.73 -1.22 -1.85 115.58 116.52 2kru h ASN 28 Ca 0.02 -0.38 -0.05 0.00 1.87 0.00 0.00 56.30 57.76 2kru h ASN 28 Cb 0.97 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 39.40 2kru h ASN 28 CO 0.08 0.76 0.05 0.71 -0.37 0.00 0.00 177.43 178.66 2kru h THR 29 N 0.22 1.21 -0.29 -3.57 1.35 -0.54 0.23 112.91 111.52 2kru h THR 29 Ca 0.06 -0.81 0.03 0.00 -0.55 0.00 0.00 66.41 65.13 2kru h THR 29 Cb 0.55 0.84 -0.03 0.00 -1.73 0.00 0.00 68.15 67.78 2kru h THR 29 CO 0.03 0.29 0.12 -0.78 -0.25 0.00 0.00 175.52 174.93 2kru h ASP 30 N 0.63 0.16 0.44 5.36 1.82 -0.85 0.16 116.42 124.14 2kru h ASP 30 Ca 0.14 0.02 -0.12 0.00 -0.39 0.00 0.00 57.03 56.68 2kru h ASP 30 Cb 0.33 -0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.32 2kru h ASP 30 CO 0.01 0.13 -0.52 0.78 -1.61 0.00 0.00 179.24 178.03 2kru h ASN 31 N 0.26 0.10 -0.06 2.28 -0.26 -0.90 -2.87 115.58 114.14 2kru h ASN 31 Ca 0.12 -0.05 -0.02 0.00 -0.56 0.00 0.00 56.30 55.80 2kru h ASN 31 Cb 0.07 -0.03 -0.00 0.00 -1.06 0.00 0.00 38.32 37.30 2kru h ASN 31 CO -0.11 0.60 -0.04 0.22 -1.06 0.00 0.00 177.43 177.04 2kru h TYR 32 N 0.07 0.14 -0.75 1.19 3.20 0.32 -1.40 116.97 119.74 2kru h TYR 32 Ca -0.00 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.79 2kru h TYR 32 Cb 0.94 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.14 2kru h TYR 32 CO 0.01 0.54 0.31 0.00 -1.64 0.00 0.00 178.16 177.38 2kru h ALA 33 N 0.59 1.14 -0.53 1.82 0.00 -0.74 -1.26 119.26 120.28 2kru h ALA 33 Ca 0.01 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 2kru h ALA 33 Cb 0.50 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2kru h ALA 33 CO 0.01 0.63 0.05 0.00 0.00 0.00 0.00 179.25 179.93 2kru h ARG 34 N 1.08 0.86 -0.69 0.00 3.08 -1.47 0.64 114.38 117.89 2kru h ARG 34 Ca 0.25 -0.22 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 2kru h ARG 34 Cb 0.18 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 2kru h ARG 34 CO -0.02 0.83 0.24 1.49 -1.07 0.00 0.00 179.97 181.44 2kru h GLU 35 N 0.81 1.05 0.00 0.04 4.81 -0.36 -2.74 114.58 118.19 2kru h GLU 35 Ca 0.16 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2kru h GLU 35 Cb 0.42 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2kru h GLU 35 CO 0.01 0.89 -0.41 -0.84 -0.73 0.00 0.00 179.01 177.94 2kru h ILE 36 N 0.99 0.00 -0.15 2.32 3.07 -0.98 -3.48 117.51 119.30 2kru h ILE 36 Ca 0.23 -0.64 0.00 0.00 1.55 0.00 0.00 64.86 65.99 2kru h ILE 36 Cb 0.26 1.39 0.00 0.00 -0.27 0.00 0.00 36.82 38.20 2kru h ILE 36 CO -0.01 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.70 2kru n GLY 37 N 1.27 1.13 3.07 0.16 0.00 0.47 -5.09 105.19 106.21 2kru n GLY 37 Ca 0.04 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.04 2.35 0.45 1.61 2.56 0.20 -4.99 118.70 119.84 2kru s GLU 38 Ca 0.00 -1.16 0.25 0.00 0.00 0.00 0.00 54.97 54.06 2kru s GLU 38 Cb 0.00 -2.75 0.81 0.00 2.00 0.00 0.00 34.13 34.19 2kru s GLU 38 CO 0.00 -0.48 1.78 -1.35 -0.56 0.00 0.00 175.26 174.65 2kru h PRO 39 N 7.84 0.00 -4.92 4.30 0.11 -1.96 -3.34 132.00 134.03 2kru h PRO 39 Ca -0.26 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.18 2kru h PRO 39 Cb 1.07 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 31.83 2kru h PRO 39 CO 0.50 0.17 -0.80 0.08 -0.21 0.00 0.00 178.00 177.74 2kru s VAL 40 N -3.48 2.31 -0.53 3.15 1.01 -1.26 -1.15 120.40 120.44 2kru s VAL 40 Ca 0.02 -1.35 -0.28 0.00 0.00 0.00 0.00 61.98 60.37 2kru s VAL 40 Cb 0.09 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 34.25 2kru s VAL 40 CO 0.63 0.14 1.34 -0.69 0.00 0.00 0.00 175.10 176.53 2kru s VAL 41 N 1.19 3.89 0.36 2.92 1.01 0.15 -4.92 120.40 125.01 2kru s VAL 41 Ca -0.04 0.81 0.06 0.00 0.00 0.00 0.00 61.98 62.81 2kru s VAL 41 Cb -0.18 -4.47 0.06 0.00 0.00 0.00 0.00 36.38 31.79 2kru s VAL 41 CO -0.07 -1.12 0.48 0.35 0.00 0.00 0.00 175.10 174.74 2kru n THR 42 N 6.86 0.00 -0.06 3.92 -2.24 -1.26 -2.46 114.28 119.03 2kru n THR 42 Ca 0.12 -1.23 -0.04 0.00 -2.27 0.00 0.00 64.05 60.64 2kru n THR 42 Cb 0.49 -0.65 0.18 0.00 -2.10 0.00 0.00 70.33 68.26 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 0.30 1.13 -0.34 6.98 0.00 -1.93 -0.01 119.26 125.39 2kru h ALA 43 Ca -0.17 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 2kru h ALA 43 Cb 0.78 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2kru h ALA 43 CO 0.25 0.55 -0.02 0.22 0.00 0.00 0.00 179.25 180.25 2kru h ASP 44 N 0.63 0.61 -0.39 0.00 3.58 -1.97 0.66 116.42 119.55 2kru h ASP 44 Ca 0.12 -0.32 -0.03 0.00 0.42 0.00 0.00 57.03 57.21 2kru h ASP 44 Cb 0.50 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.37 2kru h ASP 44 CO 0.03 0.78 0.12 0.58 -2.88 0.00 0.00 179.24 177.87 2kru h VAL 45 N 0.41 1.21 -0.87 2.25 2.07 -1.86 -0.09 116.25 119.37 2kru h VAL 45 Ca 0.09 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 2kru h VAL 45 Cb 0.49 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 2kru h VAL 45 CO 0.02 0.25 0.51 0.15 0.02 0.00 0.00 177.57 178.51 2kru h PHE 46 N 0.48 1.16 0.12 1.57 3.04 -0.91 0.19 116.94 122.59 2kru h PHE 46 Ca 0.12 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.06 2kru h PHE 46 Cb 0.26 -0.38 0.00 0.00 2.56 0.00 0.00 35.95 38.39 2kru h PHE 46 CO 0.01 0.78 -0.06 -0.09 -2.02 0.00 0.00 178.31 176.93 2kru h ARG 47 N 1.21 -0.16 -0.82 1.11 9.65 -0.47 0.21 114.38 125.12 2kru h ARG 47 Ca 0.31 0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 59.17 2kru h ARG 47 Cb -0.02 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.56 2kru h ARG 47 CO -0.06 -0.07 0.38 0.87 2.80 0.00 0.00 179.97 183.90 2kru h LYS 48 N -0.21 1.18 -0.44 0.20 1.57 -0.66 -0.79 116.57 117.41 2kru h LYS 48 Ca -0.02 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.56 2kru h LYS 48 Cb 0.17 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 2kru h LYS 48 CO 0.03 0.92 0.17 0.00 -0.57 0.00 0.00 179.45 180.00 2kru h ALA 49 N 1.20 0.58 -0.19 3.86 0.00 -0.44 -0.15 119.26 124.13 2kru h ALA 49 Ca 0.28 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2kru h ALA 49 Cb 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2kru h ALA 49 CO -0.03 0.19 0.11 -0.22 0.00 0.00 0.00 179.25 179.29 2kru h LYS 50 N 0.57 0.26 -0.51 0.00 1.63 -0.18 0.10 116.57 118.44 2kru h LYS 50 Ca 0.15 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.91 2kru h LYS 50 Cb 0.20 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.76 2kru h LYS 50 CO -0.01 0.23 0.29 0.93 -3.45 0.00 0.00 179.45 177.44 2kru h GLU 51 N 0.21 0.70 -0.27 1.90 3.07 -1.04 0.38 114.58 119.53 2kru h GLU 51 Ca 0.07 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.36 58.77 2kru h GLU 51 Cb 0.04 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 2kru h GLU 51 CO -0.01 0.51 -0.20 1.25 -1.40 0.00 0.00 179.01 179.16 2kru h HIS 52 N 0.71 0.73 0.17 4.33 2.76 -0.28 -3.14 115.15 120.42 2kru h HIS 52 Ca 0.18 -0.20 -0.31 0.00 -2.20 0.00 0.00 60.37 57.84 2kru h HIS 52 Cb 0.01 -0.16 0.03 0.00 1.55 0.00 0.00 27.41 28.84 2kru h HIS 52 CO 0.00 0.90 -1.33 -0.07 -1.30 0.00 0.00 177.93 176.13 2kru h LEU 53 N 0.35 0.83 0.00 0.26 3.38 -0.52 -3.46 115.31 116.15 2kru h LEU 53 Ca 0.05 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.21 2kru h LEU 53 Cb 0.74 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2kru h LEU 53 CO 0.05 1.62 0.00 0.61 0.09 0.00 0.00 178.44 180.82 2kru n GLY 54 N 1.50 -1.90 3.26 0.83 0.00 0.12 -5.07 105.19 103.93 2kru n GLY 54 Ca -0.14 0.87 -0.43 0.00 0.00 0.00 0.00 46.02 46.32 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 3.79 0.01 -0.02 0.00 -0.49 -4.67 105.19 103.81 2kru n GLY 55 Ca 0.00 -1.98 0.11 0.00 0.00 0.00 0.00 46.02 44.15 2kru n GLY 55 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2kru n LEU 56 N 5.30 0.70 -4.77 0.99 -0.00 -1.26 -4.91 117.00 113.05 2kru n LEU 56 Ca 0.39 -0.20 -0.39 0.00 -0.00 0.00 0.00 56.01 55.82 2kru n LEU 56 Cb 0.41 -0.10 -0.01 0.00 -0.00 0.00 0.00 43.42 43.72 2kru n LEU 56 CO 0.71 0.14 0.88 -1.83 -0.00 0.00 0.00 177.39 177.28 2kru s GLU 57 N -3.08 4.03 -0.38 1.47 1.03 -1.26 -5.01 118.70 115.49 2kru s GLU 57 Ca 0.07 1.94 0.03 0.00 0.03 0.00 0.00 54.97 57.04 2kru s GLU 57 Cb 0.16 -2.71 0.11 0.00 -0.80 0.00 0.00 34.13 30.89 2kru s GLU 57 CO 0.80 -0.37 0.11 -3.38 -1.33 0.00 0.00 175.26 171.09 2kru s HIS 58 N -1.36 3.65 -0.41 4.83 -3.43 -1.26 -4.92 115.29 112.38 2kru s HIS 58 Ca 0.57 -2.98 0.09 0.00 -0.80 0.00 0.00 55.06 51.94 2kru s HIS 58 Cb -0.33 -2.94 0.30 0.00 -1.43 0.00 0.00 32.58 28.18 2kru s HIS 58 CO 0.42 -0.92 0.80 1.58 -2.00 0.00 0.00 174.74 174.62 2kru n HIS 59 N 4.08 -1.22 0.21 0.38 -0.00 -1.26 -4.97 115.22 112.44 2kru n HIS 59 Ca 0.04 -3.04 0.10 0.00 -0.00 0.00 0.00 57.72 54.82 2kru n HIS 59 Cb 0.40 0.40 0.30 0.00 -0.00 0.00 0.00 29.99 31.09 2kru n HIS 59 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2kru h HIS 60 N 3.37 0.00 -3.38 1.57 2.76 -2.05 -3.39 115.15 114.03 2kru h HIS 60 Ca 0.01 0.00 -0.76 0.00 -2.20 0.00 0.00 60.37 57.42 2kru h HIS 60 Cb 0.99 0.00 -0.27 0.00 1.55 0.00 0.00 27.41 29.68 2kru h HIS 60 CO 0.34 0.16 -0.18 -1.58 -1.30 0.00 0.00 177.93 175.38 2kru s HIS 61 N -3.34 3.45 -0.25 5.26 5.65 -1.26 -4.83 115.29 119.97 2kru s HIS 61 Ca 0.04 -1.73 -0.02 0.00 0.25 0.00 0.00 55.06 53.60 2kru s HIS 61 Cb 0.07 -3.69 -0.15 0.00 -1.18 0.00 0.00 32.58 27.63 2kru s HIS 61 CO 0.65 -0.99 -0.25 1.58 -0.65 0.00 0.00 174.74 175.08 2kru n HIS 62 N 4.67 0.00 -0.63 3.88 -0.00 -1.26 -5.26 115.22 116.62 2kru n HIS 62 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.69 2kru n HIS 62 Cb 0.42 -0.95 0.00 0.00 -0.00 0.00 0.00 29.99 29.46 2kru n HIS 62 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92