#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kru h GLY 2 N 0.00 0.00 -2.00 3.03 0.00 -2.06 -3.46 103.07 98.58 2kru h GLY 2 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 2kru h GLY 2 CO 0.00 0.00 -0.66 -0.54 0.00 0.00 0.00 176.54 175.34 2kru s GLU 3 N -2.98 1.92 0.53 4.80 2.02 -1.26 -4.95 118.70 118.78 2kru s GLU 3 Ca 0.02 -1.87 0.07 0.00 0.02 0.00 0.00 54.97 53.21 2kru s GLU 3 Cb 0.08 -1.79 0.04 0.00 0.10 0.00 0.00 34.13 32.56 2kru s GLU 3 CO 0.76 0.14 0.51 -0.51 0.02 0.00 0.00 175.26 176.18 2kru s LEU 4 N -3.65 2.95 -0.51 1.80 1.43 -1.26 -5.07 118.68 114.37 2kru s LEU 4 Ca 0.33 -1.04 -0.21 0.00 -1.03 0.00 0.00 54.13 52.19 2kru s LEU 4 Cb 0.02 -1.49 0.05 0.00 0.03 0.00 0.00 46.19 44.79 2kru s LEU 4 CO 0.18 -1.08 0.72 -0.44 0.23 0.00 0.00 176.35 175.95 2kru s SER 5 N -4.36 6.27 0.05 2.29 0.01 -1.06 -4.92 113.70 111.98 2kru s SER 5 Ca 0.44 -0.65 -0.24 0.00 1.31 0.00 0.00 55.95 56.81 2kru s SER 5 Cb -0.03 -2.34 -0.06 0.00 0.21 0.00 0.00 66.02 63.80 2kru s SER 5 CO 0.27 -0.96 0.74 0.26 0.41 0.00 0.00 173.24 173.96 2kru s TRP 6 N 3.03 3.75 0.58 2.43 0.52 -1.26 0.28 118.94 128.27 2kru s TRP 6 Ca 0.21 1.44 -0.06 0.00 0.02 0.00 0.00 56.10 57.71 2kru s TRP 6 Cb -0.16 -2.77 -0.00 0.00 -1.15 0.00 0.00 33.47 29.38 2kru s TRP 6 CO 0.15 0.32 0.90 0.95 0.02 0.00 0.00 176.95 179.29 2kru s THR 7 N -0.21 3.98 0.58 2.01 -4.23 -0.23 -4.88 115.64 112.66 2kru s THR 7 Ca 0.37 0.14 0.27 0.00 -1.18 0.00 0.00 61.69 61.28 2kru s THR 7 Cb -0.20 -3.57 0.34 0.00 1.34 0.00 0.00 72.50 70.41 2kru s THR 7 CO 0.22 -0.60 2.23 0.00 -0.54 0.00 0.00 174.62 175.93 2kru h ALA 8 N -0.14 1.63 0.07 3.99 0.00 -1.97 0.29 119.26 123.14 2kru h ALA 8 Ca -0.46 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.47 2kru h ALA 8 Cb 1.24 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2kru h ALA 8 CO 0.61 -0.01 -0.13 0.93 0.00 0.00 0.00 179.25 180.65 2kru h GLU 9 N 0.00 -0.25 -0.20 0.00 5.08 -1.92 0.84 114.58 118.13 2kru h GLU 9 Ca 0.00 0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 2kru h GLU 9 Cb 0.02 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2kru h GLU 9 CO -0.00 -0.16 -0.30 0.00 -1.00 0.00 0.00 179.01 177.55 2kru h ALA 10 N 0.64 0.31 -0.28 3.43 0.00 -1.45 -2.94 119.26 118.98 2kru h ALA 10 Ca 0.02 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.55 2kru h ALA 10 Cb 0.27 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2kru h ALA 10 CO -0.08 0.32 0.19 0.93 0.00 0.00 0.00 179.25 180.61 2kru h GLU 11 N 0.23 0.26 0.02 0.00 4.39 -0.95 0.24 114.58 118.77 2kru h GLU 11 Ca 0.02 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kru h GLU 11 Cb 0.87 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 2kru h GLU 11 CO 0.07 0.18 -0.01 -0.22 -1.16 0.00 0.00 179.01 177.86 2kru h LYS 12 N 0.27 -0.02 -0.05 2.33 1.63 -0.66 0.70 116.57 120.77 2kru h LYS 12 Ca 0.11 0.00 -0.17 0.00 -0.85 0.00 0.00 60.65 59.75 2kru h LYS 12 Cb 0.12 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 2kru h LYS 12 CO -0.02 0.20 -0.70 0.52 -3.45 0.00 0.00 179.45 176.00 2kru h MET 13 N -0.24 0.25 0.00 1.90 2.86 -1.25 -2.76 114.93 115.69 2kru h MET 13 Ca -0.00 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 2kru h MET 13 Cb 0.23 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.94 2kru h MET 13 CO 0.00 0.85 0.00 1.25 1.06 0.00 0.00 176.91 180.08 2kru h LEU 14 N 0.17 0.00 -1.75 1.22 5.85 -0.51 -2.89 115.31 117.40 2kru h LEU 14 Ca -0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 2kru h LEU 14 Cb 1.25 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 2kru h LEU 14 CO 0.11 0.00 -0.04 1.23 -0.34 0.00 0.00 178.44 179.40 2kru h GLY 15 N 3.43 0.00 1.90 3.75 0.00 -0.54 -0.92 103.07 110.69 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 0.00 0.00 -0.09 0.50 0.00 0.00 0.00 176.54 176.95 2kru h LYS 16 N 0.00 0.00 -5.88 4.80 1.57 -1.59 -3.45 116.57 112.02 2kru h LYS 16 Ca -0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 2kru h LYS 16 Cb 0.42 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.66 2kru h LYS 16 CO 0.00 0.00 0.26 0.08 -0.57 0.00 0.00 179.45 179.22 2kru s VAL 17 N -3.19 4.95 0.39 0.50 1.01 -0.35 -5.02 120.40 118.69 2kru s VAL 17 Ca 0.07 1.47 -0.26 0.00 0.00 0.00 0.00 61.98 63.26 2kru s VAL 17 Cb 0.07 -4.07 -0.11 0.00 0.00 0.00 0.00 36.38 32.28 2kru s VAL 17 CO 0.66 0.09 1.22 -2.65 0.00 0.00 0.00 175.10 174.42 2kru n PRO 18 N 4.92 1.86 0.16 2.72 -0.02 -1.26 -4.62 135.00 138.75 2kru n PRO 18 Ca 0.02 0.66 0.19 0.00 -2.02 0.00 0.00 63.50 62.34 2kru n PRO 18 Cb 0.49 -2.28 0.79 0.00 -0.02 0.00 0.00 33.50 32.48 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 2.12 0.00 0.16 6.00 -0.00 -1.95 0.30 116.94 123.57 2kru h PHE 19 Ca -0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.50 2kru h PHE 19 Cb 1.30 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 37.25 2kru h PHE 19 CO 0.48 0.00 -0.12 0.74 -0.00 0.00 0.00 178.31 179.41 2kru h PHE 20 N 0.00 -0.33 0.00 6.09 0.04 -2.02 -3.02 116.94 117.70 2kru h PHE 20 Ca 0.14 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.91 2kru h PHE 20 Cb 0.79 0.12 0.00 0.00 2.20 0.00 0.00 35.95 39.07 2kru h PHE 20 CO 0.00 -0.17 -0.18 1.33 -0.60 0.00 0.00 178.31 178.68 2kru n VAL 21 N -3.00 0.19 -0.10 -0.55 0.24 -0.88 -3.46 118.33 110.78 2kru n VAL 21 Ca -0.03 -0.11 -0.09 0.00 -2.04 0.00 0.00 64.34 62.07 2kru n VAL 21 Cb 0.12 -0.32 -0.02 0.00 -1.47 0.00 0.00 33.84 32.15 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 0.45 -0.87 7.34 2.43 -0.43 0.24 114.38 123.55 2kru h ARG 22 Ca 0.00 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2kru h ARG 22 Cb 0.59 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.01 2kru h ARG 22 CO 0.00 0.39 0.53 -0.22 -1.51 0.00 0.00 179.97 179.16 2kru h LYS 23 N 0.39 1.18 -0.40 0.20 3.64 -1.56 0.23 116.57 120.25 2kru h LYS 23 Ca 0.11 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2kru h LYS 23 Cb 0.08 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 2kru h LYS 23 CO -0.02 0.82 0.11 -0.22 -2.27 0.00 0.00 179.45 177.88 2kru h LYS 24 N 1.19 0.63 -0.14 1.90 3.64 -1.53 -2.71 116.57 119.56 2kru h LYS 24 Ca 0.31 -0.14 -0.18 0.00 -1.27 0.00 0.00 60.65 59.37 2kru h LYS 24 Cb -0.05 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 31.69 2kru h LYS 24 CO -0.06 0.64 -0.60 0.28 -2.27 0.00 0.00 179.45 177.43 2kru h VAL 25 N 0.50 1.33 0.24 2.00 2.07 -0.24 -2.84 116.25 119.32 2kru h VAL 25 Ca 0.13 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.78 2kru h VAL 25 Cb 0.28 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 2kru h VAL 25 CO -0.00 0.58 -0.21 -0.09 0.02 0.00 0.00 177.57 177.86 2kru h ARG 26 N 0.31 -0.46 0.00 1.57 2.43 -0.51 0.10 114.38 117.82 2kru h ARG 26 Ca -0.04 0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 2kru h ARG 26 Cb 1.24 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.89 2kru h ARG 26 CO 0.13 -0.30 -0.24 -0.22 -1.51 0.00 0.00 179.97 177.83 2kru h LYS 27 N -0.47 0.00 -0.40 0.20 3.64 -1.59 0.17 116.57 118.12 2kru h LYS 27 Ca -0.01 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 2kru h LYS 27 Cb 0.43 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2kru h LYS 27 CO -0.03 0.24 -0.20 -0.97 -2.27 0.00 0.00 179.45 176.22 2kru h ASN 28 N 0.00 0.87 0.37 4.20 -0.73 -1.12 -1.82 115.58 117.35 2kru h ASN 28 Ca -0.00 -0.41 -0.19 0.00 1.87 0.00 0.00 56.30 57.57 2kru h ASN 28 Cb 0.42 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.77 2kru h ASN 28 CO 0.03 1.08 -0.80 0.74 -0.37 0.00 0.00 177.43 178.11 2kru h THR 29 N 0.65 1.41 -0.68 -3.57 2.02 -0.35 0.13 112.91 112.53 2kru h THR 29 Ca 0.09 -2.31 0.08 0.00 0.77 0.00 0.00 66.41 65.03 2kru h THR 29 Cb 0.76 2.26 -0.06 0.00 -1.74 0.00 0.00 68.15 69.37 2kru h THR 29 CO 0.06 0.69 0.35 0.44 0.37 0.00 0.00 175.52 177.43 2kru h ASP 30 N 0.21 0.48 1.35 4.18 3.32 -0.49 0.40 116.42 125.88 2kru h ASP 30 Ca -0.04 0.05 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 2kru h ASP 30 Cb 1.39 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.89 2kru h ASP 30 CO 0.13 0.29 -0.38 0.78 -1.72 0.00 0.00 179.24 178.35 2kru h ASN 31 N 0.62 0.00 -0.10 6.45 2.35 -1.21 -2.98 115.58 120.71 2kru h ASN 31 Ca 0.32 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.03 2kru h ASN 31 Cb 0.28 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 2kru h ASN 31 CO -0.23 0.38 -0.11 0.22 -1.65 0.00 0.00 177.43 176.04 2kru h TYR 32 N 0.00 0.30 -0.13 1.19 3.20 0.11 -2.29 116.97 119.36 2kru h TYR 32 Ca -0.00 -0.09 -0.07 0.00 3.14 0.00 0.00 58.73 61.70 2kru h TYR 32 Cb 1.15 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.35 2kru h TYR 32 CO 0.00 0.68 -0.25 0.00 -1.64 0.00 0.00 178.16 176.95 2kru h ALA 33 N 0.57 1.35 -0.26 1.82 0.00 -0.36 -1.41 119.26 120.98 2kru h ALA 33 Ca 0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2kru h ALA 33 Cb 0.63 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2kru h ALA 33 CO 0.03 0.45 0.03 0.00 0.00 0.00 0.00 179.25 179.75 2kru h ARG 34 N 0.20 0.38 -0.22 0.00 3.08 -1.42 0.55 114.38 116.96 2kru h ARG 34 Ca 0.03 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 59.92 2kru h ARG 34 Cb 0.56 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 2kru h ARG 34 CO 0.04 0.39 -0.27 1.49 -1.07 0.00 0.00 179.97 180.55 2kru h GLU 35 N 0.37 0.56 -0.00 0.04 4.22 -0.67 -3.00 114.58 116.10 2kru h GLU 35 Ca 0.09 -0.32 0.00 0.00 0.08 0.00 0.00 59.36 59.21 2kru h GLU 35 Cb 0.21 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2kru h GLU 35 CO 0.00 0.91 -0.13 0.44 -2.18 0.00 0.00 179.01 178.06 2kru n ILE 36 N -4.36 0.00 -1.76 2.32 -5.35 -0.98 -4.92 119.36 104.32 2kru n ILE 36 Ca -0.05 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 2kru n ILE 36 Cb 0.45 -0.21 0.00 0.00 -1.74 0.00 0.00 39.64 38.15 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 0.92 3.06 3.28 0.00 0.09 -5.07 105.19 108.84 2kru n GLY 37 Ca 0.11 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.59 2.51 0.07 1.61 2.56 0.17 -4.99 118.70 117.04 2kru s GLU 38 Ca 0.00 -0.81 0.27 0.00 0.00 0.00 0.00 54.97 54.43 2kru s GLU 38 Cb 0.00 -2.44 0.85 0.00 2.00 0.00 0.00 34.13 34.54 2kru s GLU 38 CO 0.00 -0.30 1.69 -0.35 -0.56 0.00 0.00 175.26 175.74 2kru n PRO 39 N 4.66 0.11 -4.16 4.30 -0.04 -1.26 -3.95 135.00 134.66 2kru n PRO 39 Ca -0.18 0.07 -0.34 0.00 -0.04 0.00 0.00 63.50 63.01 2kru n PRO 39 Cb 0.48 -1.60 -0.15 0.00 -0.04 0.00 0.00 33.50 32.19 2kru n PRO 39 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2kru s VAL 40 N -3.05 2.48 -0.74 0.52 1.01 -1.26 -2.58 120.40 116.78 2kru s VAL 40 Ca 0.11 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 61.10 2kru s VAL 40 Cb 0.16 -2.07 0.12 0.00 0.00 0.00 0.00 36.38 34.60 2kru s VAL 40 CO 0.61 0.51 0.89 -0.69 0.00 0.00 0.00 175.10 176.42 2kru s VAL 41 N 1.24 4.79 0.80 2.92 1.01 0.14 -4.92 120.40 126.40 2kru s VAL 41 Ca 0.03 -1.24 -0.04 0.00 0.00 0.00 0.00 61.98 60.73 2kru s VAL 41 Cb -0.14 -4.61 0.17 0.00 0.00 0.00 0.00 36.38 31.79 2kru s VAL 41 CO -0.08 -1.30 1.10 0.35 0.00 0.00 0.00 175.10 175.17 2kru n THR 42 N 5.41 0.00 -0.10 3.92 -2.24 -1.26 -1.07 114.28 118.94 2kru n THR 42 Ca 0.05 -1.44 0.01 0.00 -2.27 0.00 0.00 64.05 60.39 2kru n THR 42 Cb 0.46 -1.04 0.29 0.00 -2.10 0.00 0.00 70.33 67.93 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 -0.91 1.46 -0.45 6.98 0.00 -1.92 -0.92 119.26 123.50 2kru h ALA 43 Ca -0.36 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2kru h ALA 43 Cb 1.23 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2kru h ALA 43 CO 0.35 0.44 0.23 0.22 0.00 0.00 0.00 179.25 180.48 2kru h ASP 44 N 0.76 0.58 -0.62 0.00 3.58 -1.99 0.13 116.42 118.87 2kru h ASP 44 Ca 0.19 -0.12 -0.08 0.00 0.42 0.00 0.00 57.03 57.44 2kru h ASP 44 Cb 0.06 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 2kru h ASP 44 CO -0.03 0.53 0.07 0.58 -2.88 0.00 0.00 179.24 177.51 2kru h VAL 45 N 0.59 1.26 -0.32 2.25 2.07 -1.81 -1.56 116.25 118.73 2kru h VAL 45 Ca 0.16 -1.06 -0.08 0.00 0.82 0.00 0.00 66.70 66.53 2kru h VAL 45 Cb 0.10 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 2kru h VAL 45 CO -0.02 0.39 -0.13 0.15 0.02 0.00 0.00 177.57 177.98 2kru h PHE 46 N 0.95 0.60 -0.17 1.57 3.57 -0.84 -0.05 116.94 122.57 2kru h PHE 46 Ca 0.18 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 2kru h PHE 46 Cb 0.48 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 2kru h PHE 46 CO 0.04 0.66 0.08 0.00 -2.23 0.00 0.00 178.31 176.86 2kru h ARG 47 N 0.51 0.25 -0.45 1.11 2.47 -0.43 -2.11 114.38 115.73 2kru h ARG 47 Ca 0.09 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.75 2kru h ARG 47 Cb 0.53 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.78 2kru h ARG 47 CO 0.03 0.29 0.17 0.87 0.56 0.00 0.00 179.97 181.89 2kru h LYS 48 N 0.15 0.65 -0.33 0.04 1.57 -0.86 -2.38 116.57 115.40 2kru h LYS 48 Ca 0.06 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2kru h LYS 48 Cb 0.12 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 2kru h LYS 48 CO -0.01 0.54 0.20 0.00 -0.57 0.00 0.00 179.45 179.62 2kru h ALA 49 N 1.55 0.42 -0.89 3.86 0.00 -0.76 0.15 119.26 123.59 2kru h ALA 49 Ca 0.16 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2kru h ALA 49 Cb 0.15 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2kru h ALA 49 CO -0.01 -0.09 0.59 0.87 0.00 0.00 0.00 179.25 180.61 2kru h LYS 50 N 0.43 1.18 -0.11 0.00 1.57 -0.89 0.11 116.57 118.86 2kru h LYS 50 Ca 0.12 -0.07 -0.20 0.00 -1.87 0.00 0.00 60.65 58.62 2kru h LYS 50 Cb -0.00 -0.26 0.01 0.00 0.08 0.00 0.00 32.23 32.05 2kru h LYS 50 CO -0.02 0.78 -0.72 0.93 -0.57 0.00 0.00 179.45 179.85 2kru h GLU 51 N 1.21 0.69 -0.42 3.15 3.07 -1.27 0.30 114.58 121.31 2kru h GLU 51 Ca 0.33 -0.59 -0.03 0.00 -0.50 0.00 0.00 59.36 58.57 2kru h GLU 51 Cb -0.13 0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 2kru h GLU 51 CO -0.07 1.20 0.15 1.25 -1.40 0.00 0.00 179.01 180.14 2kru h HIS 52 N 0.36 0.67 -0.19 4.33 2.76 -0.37 -2.95 115.15 119.76 2kru h HIS 52 Ca -0.06 -0.06 -0.12 0.00 -2.20 0.00 0.00 60.37 57.93 2kru h HIS 52 Cb 1.36 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 30.13 2kru h HIS 52 CO 0.10 0.60 -0.35 -0.07 -1.30 0.00 0.00 177.93 176.91 2kru h LEU 53 N 0.54 0.64 0.00 0.26 3.38 -0.86 -3.47 115.31 115.80 2kru h LEU 53 Ca 0.14 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2kru h LEU 53 Cb 0.24 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2kru h LEU 53 CO -0.01 1.06 0.00 0.61 0.09 0.00 0.00 178.44 180.20 2kru n GLY 54 N 0.39 2.13 0.00 0.83 0.00 0.09 -4.86 105.19 103.77 2kru n GLY 54 Ca -0.06 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 2.05 0.13 -0.02 0.00 -1.26 -4.84 105.19 101.25 2kru n GLY 55 Ca 0.00 -1.47 -0.20 0.00 0.00 0.00 0.00 46.02 44.35 2kru n GLY 55 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2kru n LEU 56 N 0.00 2.76 -4.49 0.99 0.00 -1.26 -4.81 117.00 110.19 2kru n LEU 56 Ca 0.00 0.06 -0.37 0.00 0.00 0.00 0.00 56.01 55.70 2kru n LEU 56 Cb 0.00 -1.02 -0.12 0.00 0.00 0.00 0.00 43.42 42.29 2kru n LEU 56 CO 0.00 0.87 -0.24 -1.61 0.00 0.00 0.00 177.39 176.42 2kru s GLU 57 N -2.54 3.70 -0.36 1.96 2.02 -1.26 -5.03 118.70 117.19 2kru s GLU 57 Ca -0.29 -0.46 -0.27 0.00 0.02 0.00 0.00 54.97 53.97 2kru s GLU 57 Cb 0.08 -3.46 -0.05 0.00 0.10 0.00 0.00 34.13 30.80 2kru s GLU 57 CO 0.68 -0.22 2.22 -1.58 0.02 0.00 0.00 175.26 176.39 2kru s HIS 58 N 1.66 1.23 -0.18 1.61 5.65 -1.26 -4.92 115.29 119.08 2kru s HIS 58 Ca 0.06 0.97 -0.04 0.00 0.25 0.00 0.00 55.06 56.30 2kru s HIS 58 Cb -0.16 -3.83 0.06 0.00 -1.18 0.00 0.00 32.58 27.48 2kru s HIS 58 CO 0.06 -3.23 0.08 -1.01 -0.65 0.00 0.00 174.74 169.99 2kru s HIS 59 N 9.74 0.39 0.00 3.88 3.76 -1.26 -5.12 115.29 126.68 2kru s HIS 59 Ca 0.95 -0.46 -0.00 0.00 -0.15 0.00 0.00 55.06 55.40 2kru s HIS 59 Cb -0.24 -0.78 -0.00 0.00 1.11 0.00 0.00 32.58 32.67 2kru s HIS 59 CO 0.30 -0.54 -0.00 -1.01 -0.85 0.00 0.00 174.74 172.64 2kru s HIS 60 N 2.07 0.03 -0.11 1.40 3.76 -1.26 -5.04 115.29 116.15 2kru s HIS 60 Ca 0.02 -0.06 -0.07 0.00 -0.15 0.00 0.00 55.06 54.80 2kru s HIS 60 Cb -0.16 -0.02 -0.05 0.00 1.11 0.00 0.00 32.58 33.45 2kru s HIS 60 CO -0.10 -0.02 -0.17 0.72 -0.85 0.00 0.00 174.74 174.32 2kru n HIS 61 N 2.90 0.00 0.00 1.40 8.25 -1.26 -5.10 115.22 121.41 2kru n HIS 61 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 2kru n HIS 61 Cb 0.59 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 31.29 2kru n HIS 61 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kru n HIS 62 N -3.65 0.00 0.00 4.41 -0.00 -1.26 -5.38 115.22 109.33 2kru n HIS 62 Ca -0.22 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.96 2kru n HIS 62 Cb 0.59 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.46 2kru n HIS 62 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41