#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 1.89 3.43 -5.12 0.00 -1.26 -4.91 105.19 99.22 2kru n GLY 2 Ca 0.00 -1.05 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 2kru n GLY 2 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kru s GLU 3 N 5.40 2.60 0.40 1.61 2.56 -1.26 -4.99 118.70 125.02 2kru s GLU 3 Ca 0.61 -0.73 0.03 0.00 0.00 0.00 0.00 54.97 54.89 2kru s GLU 3 Cb 0.03 -2.37 -0.03 0.00 2.00 0.00 0.00 34.13 33.76 2kru s GLU 3 CO 0.10 0.54 0.09 -0.51 -0.56 0.00 0.00 175.26 174.93 2kru s LEU 4 N -0.52 2.10 -0.70 2.70 1.43 -1.26 -5.09 118.68 117.33 2kru s LEU 4 Ca 0.07 -1.58 -0.25 0.00 -1.03 0.00 0.00 54.13 51.34 2kru s LEU 4 Cb -0.12 -0.28 0.05 0.00 0.03 0.00 0.00 46.19 45.88 2kru s LEU 4 CO 0.01 -0.82 1.12 -0.44 0.23 0.00 0.00 176.35 176.45 2kru s SER 5 N -3.61 6.17 -0.01 2.29 0.01 -0.27 -4.94 113.70 113.34 2kru s SER 5 Ca 0.25 -0.74 -0.16 0.00 1.31 0.00 0.00 55.95 56.61 2kru s SER 5 Cb 0.04 -2.49 -0.06 0.00 0.21 0.00 0.00 66.02 63.73 2kru s SER 5 CO 0.13 -1.63 0.44 0.26 0.41 0.00 0.00 173.24 172.85 2kru s TRP 6 N 4.87 3.70 0.26 2.43 0.52 -1.26 0.45 118.94 129.90 2kru s TRP 6 Ca 0.29 1.00 0.02 0.00 0.02 0.00 0.00 56.10 57.43 2kru s TRP 6 Cb -0.12 -2.36 -0.03 0.00 -1.15 0.00 0.00 33.47 29.80 2kru s TRP 6 CO 0.12 0.55 0.42 0.95 0.02 0.00 0.00 176.95 179.01 2kru s THR 7 N -0.76 5.20 0.41 2.01 -4.23 -0.59 -4.94 115.64 112.74 2kru s THR 7 Ca 0.25 -0.64 0.18 0.00 -1.18 0.00 0.00 61.69 60.30 2kru s THR 7 Cb -0.17 -3.82 0.19 0.00 1.34 0.00 0.00 72.50 70.05 2kru s THR 7 CO 0.13 -0.35 1.97 0.00 -0.54 0.00 0.00 174.62 175.84 2kru h ALA 8 N 1.31 1.48 -0.65 3.99 0.00 -1.98 -1.73 119.26 121.68 2kru h ALA 8 Ca -0.50 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 2kru h ALA 8 Cb 1.21 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 2kru h ALA 8 CO 0.63 0.26 0.29 0.93 0.00 0.00 0.00 179.25 181.37 2kru h GLU 9 N 0.00 0.95 -0.17 0.00 4.39 -1.94 -1.49 114.58 116.33 2kru h GLU 9 Ca -0.00 -0.15 -0.20 0.00 0.34 0.00 0.00 59.36 59.34 2kru h GLU 9 Cb 0.42 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2kru h GLU 9 CO 0.03 0.78 -0.70 0.00 -1.16 0.00 0.00 179.01 177.96 2kru h ALA 10 N 1.13 0.45 -0.14 3.43 0.00 -1.66 -3.18 119.26 119.30 2kru h ALA 10 Ca 0.22 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 2kru h ALA 10 Cb 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2kru h ALA 10 CO -0.02 0.70 -0.09 0.93 0.00 0.00 0.00 179.25 180.76 2kru h GLU 11 N 0.50 0.21 -0.68 0.00 5.08 -1.06 0.25 114.58 118.88 2kru h GLU 11 Ca -0.03 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 2kru h GLU 11 Cb 1.30 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 2kru h GLU 11 CO 0.14 0.31 0.21 0.87 -1.00 0.00 0.00 179.01 179.54 2kru h LYS 12 N 0.20 1.07 0.00 2.33 1.57 -1.25 -0.91 116.57 119.57 2kru h LYS 12 Ca 0.04 -0.23 -0.15 0.00 -1.87 0.00 0.00 60.65 58.44 2kru h LYS 12 Cb 0.30 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2kru h LYS 12 CO 0.02 0.93 -0.70 0.52 -0.57 0.00 0.00 179.45 179.64 2kru h MET 13 N 1.00 0.00 0.00 3.15 2.86 -1.45 -2.99 114.93 117.51 2kru h MET 13 Ca 0.22 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.81 2kru h MET 13 Cb 0.31 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 2kru h MET 13 CO -0.01 0.70 -0.24 1.25 1.06 0.00 0.00 176.91 179.68 2kru h LEU 14 N 0.00 0.00 -0.27 1.22 5.85 -0.68 -2.55 115.31 118.88 2kru h LEU 14 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2kru h LEU 14 Cb 1.49 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.52 2kru h LEU 14 CO 0.09 0.24 0.00 0.61 -0.34 0.00 0.00 178.44 179.04 2kru n GLY 15 N -0.08 -1.09 0.09 3.75 0.00 -0.37 -1.38 105.19 106.11 2kru n GLY 15 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.78 0.19 -3.57 1.61 5.02 -0.96 -4.68 118.16 113.99 2kru n LYS 16 Ca 0.03 0.23 -0.37 0.00 -2.02 0.00 0.00 58.31 56.18 2kru n LYS 16 Cb 0.19 -1.75 -0.09 0.00 -0.02 0.00 0.00 35.03 33.35 2kru n LYS 16 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2kru s VAL 17 N -3.13 5.30 0.42 -0.18 1.01 -0.48 -5.06 120.40 118.28 2kru s VAL 17 Ca 0.09 0.34 -0.25 0.00 0.00 0.00 0.00 61.98 62.16 2kru s VAL 17 Cb 0.12 -3.57 -0.10 0.00 0.00 0.00 0.00 36.38 32.83 2kru s VAL 17 CO 0.51 0.30 1.25 -2.65 0.00 0.00 0.00 175.10 174.52 2kru n PRO 18 N 4.46 1.88 0.12 2.72 -0.02 -1.26 -4.60 135.00 138.30 2kru n PRO 18 Ca -0.13 0.67 0.15 0.00 -2.02 0.00 0.00 63.50 62.17 2kru n PRO 18 Cb 0.52 -2.36 0.67 0.00 -0.02 0.00 0.00 33.50 32.31 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 2.04 0.00 -0.79 6.00 3.57 -1.94 0.28 116.94 126.09 2kru h PHE 19 Ca -0.48 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.10 2kru h PHE 19 Cb 1.30 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.97 2kru h PHE 19 CO 0.48 0.00 0.46 0.74 -2.23 0.00 0.00 178.31 177.75 2kru h PHE 20 N 0.00 0.84 -0.01 0.41 0.04 -2.04 -2.97 116.94 113.22 2kru h PHE 20 Ca 0.13 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.93 2kru h PHE 20 Cb 0.54 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.43 2kru h PHE 20 CO 0.00 0.38 -0.11 1.33 -0.60 0.00 0.00 178.31 179.31 2kru n VAL 21 N -4.73 0.00 -0.17 -0.55 0.24 -0.53 -4.57 118.33 108.03 2kru n VAL 21 Ca 0.12 -0.44 0.02 0.00 -2.04 0.00 0.00 64.34 61.99 2kru n VAL 21 Cb 0.23 1.13 0.29 0.00 -1.47 0.00 0.00 33.84 34.02 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 1.20 0.87 -0.83 7.34 2.43 -0.33 -0.79 114.38 124.27 2kru h ARG 22 Ca 0.00 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2kru h ARG 22 Cb 0.31 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 2kru h ARG 22 CO 0.00 0.58 0.55 0.87 -1.51 0.00 0.00 179.97 180.45 2kru h LYS 23 N 0.90 1.10 -0.18 0.20 1.79 -1.81 0.15 116.57 118.72 2kru h LYS 23 Ca 0.26 -0.07 -0.20 0.00 -2.18 0.00 0.00 60.65 58.46 2kru h LYS 23 Cb -0.06 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 30.34 2kru h LYS 23 CO -0.06 0.73 -0.68 0.87 -1.08 0.00 0.00 179.45 179.23 2kru h LYS 24 N 1.13 0.71 -0.55 3.15 1.57 -1.52 0.66 116.57 121.71 2kru h LYS 24 Ca 0.30 -0.52 -0.06 0.00 -1.87 0.00 0.00 60.65 58.51 2kru h LYS 24 Cb -0.12 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 2kru h LYS 24 CO -0.07 1.14 0.12 0.28 -0.57 0.00 0.00 179.45 180.36 2kru h VAL 25 N 0.51 1.25 -0.79 0.50 2.07 -0.96 0.15 116.25 118.96 2kru h VAL 25 Ca -0.02 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 2kru h VAL 25 Cb 1.28 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 2kru h VAL 25 CO 0.14 0.33 0.47 -0.09 0.02 0.00 0.00 177.57 178.44 2kru h ARG 26 N 0.78 1.08 -0.35 1.57 2.43 -0.54 0.40 114.38 119.76 2kru h ARG 26 Ca 0.17 -0.10 -0.10 0.00 -0.81 0.00 0.00 59.98 59.14 2kru h ARG 26 Cb 0.36 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 2kru h ARG 26 CO 0.00 0.76 -0.20 -0.22 -1.51 0.00 0.00 179.97 178.81 2kru h LYS 27 N 1.10 0.66 -0.44 0.20 3.64 -0.36 0.80 116.57 122.16 2kru h LYS 27 Ca 0.28 -0.25 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 2kru h LYS 27 Cb -0.03 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 2kru h LYS 27 CO -0.05 0.82 -0.02 -0.91 -2.27 0.00 0.00 179.45 177.02 2kru h ASN 28 N 0.59 0.78 -0.10 4.20 -0.26 0.30 -1.60 115.58 119.50 2kru h ASN 28 Ca 0.09 -0.32 -0.09 0.00 -0.56 0.00 0.00 56.30 55.42 2kru h ASN 28 Cb 0.66 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.70 2kru h ASN 28 CO 0.05 0.91 -0.22 0.71 -1.06 0.00 0.00 177.43 177.82 2kru h THR 29 N 0.64 1.26 -0.58 2.81 1.35 -0.80 0.10 112.91 117.70 2kru h THR 29 Ca 0.12 -1.23 0.07 0.00 -0.55 0.00 0.00 66.41 64.83 2kru h THR 29 Cb 0.52 1.29 -0.06 0.00 -1.73 0.00 0.00 68.15 68.17 2kru h THR 29 CO 0.03 0.39 0.25 -0.78 -0.25 0.00 0.00 175.52 175.16 2kru h ASP 30 N 0.46 0.31 0.50 5.36 3.58 -0.53 0.52 116.42 126.63 2kru h ASP 30 Ca 0.07 0.05 -0.15 0.00 0.42 0.00 0.00 57.03 57.43 2kru h ASP 30 Cb 0.64 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 2kru h ASP 30 CO 0.05 0.20 -0.65 0.78 -2.88 0.00 0.00 179.24 176.74 2kru h ASN 31 N 0.47 0.16 -0.08 2.28 2.35 -0.90 -2.58 115.58 117.28 2kru h ASN 31 Ca 0.27 -0.10 -0.11 0.00 -0.55 0.00 0.00 56.30 55.82 2kru h ASN 31 Cb 0.27 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.59 2kru h ASN 31 CO -0.24 0.77 -0.37 0.22 -1.65 0.00 0.00 177.43 176.16 2kru h TYR 32 N 0.10 0.52 -0.79 1.19 3.20 0.21 -0.05 116.97 121.36 2kru h TYR 32 Ca -0.01 -0.23 -0.02 0.00 3.14 0.00 0.00 58.73 61.61 2kru h TYR 32 Cb 1.17 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 39.32 2kru h TYR 32 CO 0.01 0.97 0.40 0.00 -1.64 0.00 0.00 178.16 177.91 2kru h ALA 33 N 0.45 1.01 0.00 1.82 0.00 -0.05 -0.63 119.26 121.85 2kru h ALA 33 Ca -0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2kru h ALA 33 Cb 1.01 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2kru h ALA 33 CO 0.08 0.55 -0.16 0.00 0.00 0.00 0.00 179.25 179.72 2kru h ARG 34 N 1.10 0.00 -0.27 0.00 3.08 -1.46 0.14 114.38 116.98 2kru h ARG 34 Ca 0.27 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.14 2kru h ARG 34 Cb 0.08 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 2kru h ARG 34 CO -0.04 0.16 -0.56 1.49 -1.07 0.00 0.00 179.97 179.95 2kru h GLU 35 N 0.00 0.82 -0.01 0.04 4.81 0.46 -3.10 114.58 117.61 2kru h GLU 35 Ca -0.00 -0.53 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 2kru h GLU 35 Cb 0.68 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.12 2kru h GLU 35 CO 0.02 1.16 -0.33 0.44 -0.73 0.00 0.00 179.01 179.57 2kru n ILE 36 N -4.00 0.00 -0.76 2.32 -5.35 -0.54 -4.94 119.36 106.10 2kru n ILE 36 Ca -0.04 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 2kru n ILE 36 Cb 0.63 0.51 0.00 0.00 -1.74 0.00 0.00 39.64 39.04 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 1.37 0.64 3.50 3.28 0.00 0.03 -5.02 105.19 108.99 2kru n GLY 37 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.24 3.25 0.00 1.61 0.41 0.28 -4.94 118.70 119.07 2kru s GLU 38 Ca 0.00 -0.80 0.30 0.00 -0.41 0.00 0.00 54.97 54.06 2kru s GLU 38 Cb 0.00 -3.89 1.74 0.00 -1.78 0.00 0.00 34.13 30.20 2kru s GLU 38 CO 0.00 -0.60 2.13 -2.30 -0.49 0.00 0.00 175.26 173.99 2kru n PRO 39 N 5.17 1.04 -4.17 0.39 -0.02 -1.26 -4.27 135.00 131.88 2kru n PRO 39 Ca -0.11 -0.06 -0.33 0.00 -2.02 0.00 0.00 63.50 60.97 2kru n PRO 39 Cb 0.48 -1.47 -0.16 0.00 -0.02 0.00 0.00 33.50 32.34 2kru n PRO 39 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2kru s VAL 40 N -2.00 2.17 -0.56 -1.45 1.01 -1.26 -1.12 120.40 117.19 2kru s VAL 40 Ca 0.45 -0.91 -0.18 0.00 0.00 0.00 0.00 61.98 61.34 2kru s VAL 40 Cb 0.21 -1.91 0.10 0.00 0.00 0.00 0.00 36.38 34.78 2kru s VAL 40 CO 0.35 0.53 0.63 -0.69 0.00 0.00 0.00 175.10 175.92 2kru s VAL 41 N 1.24 4.94 0.58 2.92 1.01 0.17 -4.89 120.40 126.37 2kru s VAL 41 Ca 0.04 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 60.98 2kru s VAL 41 Cb -0.13 -4.41 0.11 0.00 0.00 0.00 0.00 36.38 31.94 2kru s VAL 41 CO -0.11 -1.00 0.80 0.35 0.00 0.00 0.00 175.10 175.14 2kru n THR 42 N 5.47 0.00 0.14 3.92 -2.24 -1.26 -1.55 114.28 118.75 2kru n THR 42 Ca -0.10 -1.46 0.05 0.00 -2.27 0.00 0.00 64.05 60.27 2kru n THR 42 Cb 0.42 -0.83 0.49 0.00 -2.10 0.00 0.00 70.33 68.31 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 -0.33 1.74 -0.30 6.98 0.00 -1.92 -1.06 119.26 124.37 2kru h ALA 43 Ca -0.27 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 2kru h ALA 43 Cb 1.06 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2kru h ALA 43 CO 0.31 0.21 -0.13 -0.44 0.00 0.00 0.00 179.25 179.20 2kru h ASP 44 N 0.23 0.63 -0.27 0.00 3.32 -1.97 0.10 116.42 118.47 2kru h ASP 44 Ca 0.06 -0.40 -0.03 0.00 0.02 0.00 0.00 57.03 56.68 2kru h ASP 44 Cb 0.12 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2kru h ASP 44 CO -0.00 0.89 0.07 0.58 -1.72 0.00 0.00 179.24 179.06 2kru h VAL 45 N 0.37 1.21 -0.34 -1.35 2.07 -1.80 -1.02 116.25 115.39 2kru h VAL 45 Ca 0.07 -0.70 -0.07 0.00 0.82 0.00 0.00 66.70 66.81 2kru h VAL 45 Cb 0.65 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 2kru h VAL 45 CO 0.04 0.23 -0.09 0.15 0.02 0.00 0.00 177.57 177.92 2kru h PHE 46 N 0.27 0.62 0.19 1.57 3.04 -1.17 -0.61 116.94 120.86 2kru h PHE 46 Ca 0.09 -0.09 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 2kru h PHE 46 Cb 0.28 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.63 2kru h PHE 46 CO 0.01 0.65 -0.09 -0.09 -2.02 0.00 0.00 178.31 176.77 2kru h ARG 47 N 0.53 -0.25 -0.23 1.11 2.43 -0.54 -2.46 114.38 114.98 2kru h ARG 47 Ca 0.10 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 2kru h ARG 47 Cb 0.48 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 2kru h ARG 47 CO 0.03 -0.16 0.04 0.87 -1.51 0.00 0.00 179.97 179.24 2kru h LYS 48 N -0.27 0.33 -0.86 0.20 1.57 -0.89 -1.43 116.57 115.20 2kru h LYS 48 Ca -0.03 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.77 2kru h LYS 48 Cb 0.21 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.40 2kru h LYS 48 CO 0.04 0.32 0.54 0.00 -0.57 0.00 0.00 179.45 179.78 2kru h ALA 49 N 1.73 1.18 -0.13 3.86 0.00 -0.72 0.47 119.26 125.65 2kru h ALA 49 Ca 0.08 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2kru h ALA 49 Cb 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2kru h ALA 49 CO -0.00 0.29 -0.25 0.87 0.00 0.00 0.00 179.25 180.16 2kru h LYS 50 N 0.98 0.24 0.08 0.00 1.79 -0.82 0.29 116.57 119.13 2kru h LYS 50 Ca 0.37 -0.08 -0.27 0.00 -2.18 0.00 0.00 60.65 58.50 2kru h LYS 50 Cb 0.16 -0.02 0.02 0.00 -1.58 0.00 0.00 32.23 30.81 2kru h LYS 50 CO -0.17 0.48 -1.15 0.93 -1.08 0.00 0.00 179.45 178.46 2kru h GLU 51 N 0.22 0.47 0.21 3.15 5.08 -0.85 -0.38 114.58 122.48 2kru h GLU 51 Ca 0.04 -0.62 -0.30 0.00 -1.00 0.00 0.00 59.36 57.47 2kru h GLU 51 Cb 0.56 0.20 0.03 0.00 0.50 0.00 0.00 28.75 30.05 2kru h GLU 51 CO 0.04 1.25 -1.38 1.25 -1.00 0.00 0.00 179.01 179.17 2kru h HIS 52 N 0.22 0.82 0.01 4.33 2.76 0.09 -2.62 115.15 120.76 2kru h HIS 52 Ca -0.14 -0.60 -0.29 0.00 -2.20 0.00 0.00 60.37 57.14 2kru h HIS 52 Cb 1.82 -0.03 -0.05 0.00 1.55 0.00 0.00 27.41 30.70 2kru h HIS 52 CO 0.09 1.53 -1.66 -0.07 -1.30 0.00 0.00 177.93 176.51 2kru h LEU 53 N -0.00 0.04 0.00 0.26 3.38 -0.56 -3.43 115.31 115.00 2kru h LEU 53 Ca -0.25 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2kru h LEU 53 Cb 2.02 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.76 2kru h LEU 53 CO 0.22 1.07 0.00 0.61 0.09 0.00 0.00 178.44 180.43 2kru n GLY 54 N 1.57 -0.17 5.00 0.83 0.00 -0.24 -4.95 105.19 107.22 2kru n GLY 54 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 2.17 1.41 0.46 -0.02 0.00 -0.67 -4.63 105.19 103.91 2kru n GLY 55 Ca 0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.40 -8.81 0.99 3.38 -1.89 -3.43 115.31 104.15 2kru h LEU 56 Ca 0.00 0.13 -0.67 0.00 0.09 0.00 0.00 57.88 57.43 2kru h LEU 56 Cb 0.00 0.49 -0.24 0.00 0.09 0.00 0.00 40.66 41.01 2kru h LEU 56 CO 0.00 -0.56 -0.87 -1.61 0.09 0.00 0.00 178.44 175.49 2kru s GLU 57 N -5.58 1.51 -0.44 1.13 2.02 -1.26 -5.08 118.70 111.00 2kru s GLU 57 Ca -0.16 -1.23 0.05 0.00 0.02 0.00 0.00 54.97 53.65 2kru s GLU 57 Cb 0.05 -1.86 0.18 0.00 0.10 0.00 0.00 34.13 32.59 2kru s GLU 57 CO 0.56 0.46 0.48 -3.38 0.02 0.00 0.00 175.26 173.39 2kru s HIS 58 N -0.97 -0.05 -0.71 1.61 -3.43 -1.26 -4.97 115.29 105.51 2kru s HIS 58 Ca 0.12 -1.51 -0.21 0.00 -0.80 0.00 0.00 55.06 52.66 2kru s HIS 58 Cb -0.10 -0.41 0.09 0.00 -1.43 0.00 0.00 32.58 30.73 2kru s HIS 58 CO 0.04 -1.01 0.97 -1.01 -2.00 0.00 0.00 174.74 171.74 2kru s HIS 59 N 0.53 2.79 -0.15 0.38 3.76 -1.26 -4.95 115.29 116.40 2kru s HIS 59 Ca 0.30 -0.76 -0.04 0.00 -0.15 0.00 0.00 55.06 54.40 2kru s HIS 59 Cb -0.00 -4.27 0.07 0.00 1.11 0.00 0.00 32.58 29.49 2kru s HIS 59 CO -0.12 -1.59 0.25 -1.58 -0.85 0.00 0.00 174.74 170.85 2kru s HIS 60 N 3.66 -0.39 -0.30 1.40 2.46 -1.26 -5.13 115.29 115.73 2kru s HIS 60 Ca 0.23 0.77 -0.18 0.00 0.47 0.00 0.00 55.06 56.36 2kru s HIS 60 Cb -0.15 -0.12 -0.02 0.00 -0.13 0.00 0.00 32.58 32.16 2kru s HIS 60 CO 0.06 -0.42 0.52 -1.58 -2.47 0.00 0.00 174.74 170.85 2kru s HIS 61 N 2.40 3.22 -0.15 3.88 2.46 -1.26 -5.03 115.29 120.81 2kru s HIS 61 Ca 0.03 0.43 -0.29 0.00 0.47 0.00 0.00 55.06 55.70 2kru s HIS 61 Cb -0.13 -2.83 -0.01 0.00 -0.13 0.00 0.00 32.58 29.49 2kru s HIS 61 CO -0.09 -0.41 1.05 -1.58 -2.47 0.00 0.00 174.74 171.24 2kru s HIS 62 N 2.37 3.38 0.00 3.88 5.04 -1.26 -5.36 115.29 123.34 2kru s HIS 62 Ca 0.20 1.48 0.00 0.00 -1.54 0.00 0.00 55.06 55.20 2kru s HIS 62 Cb -0.15 -3.26 0.00 0.00 0.04 0.00 0.00 32.58 29.21 2kru s HIS 62 CO 0.11 -0.51 0.00 1.58 -2.34 0.00 0.00 174.74 173.59