#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 2.85 5.21 -5.12 0.00 -1.26 -5.06 105.19 101.82 2kru n GLY 2 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 0.00 1.61 -0.58 -1.26 -4.94 120.64 115.47 2kru n GLU 3 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2kru n GLU 3 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2kru n GLU 3 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2kru n LEU 4 N 0.00 0.00 -3.71 -4.62 4.77 -1.26 -4.83 117.00 107.35 2kru n LEU 4 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 2kru n LEU 4 Cb 0.00 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 40.93 2kru n LEU 4 CO 0.00 -1.13 -0.31 -0.55 -1.33 0.00 0.00 177.39 174.07 2kru s SER 5 N -4.00 0.56 -0.18 -1.43 0.15 0.12 -5.00 113.70 103.92 2kru s SER 5 Ca 0.00 0.15 -0.07 0.00 0.70 0.00 0.00 55.95 56.73 2kru s SER 5 Cb 0.00 0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.28 2kru s SER 5 CO 0.00 -0.20 0.06 0.26 1.20 0.00 0.00 173.24 174.56 2kru s TRP 6 N 1.72 3.25 0.50 3.44 0.52 -1.26 0.36 118.94 127.47 2kru s TRP 6 Ca -0.02 0.07 -0.10 0.00 0.02 0.00 0.00 56.10 56.07 2kru s TRP 6 Cb -0.12 -2.07 -0.05 0.00 -1.15 0.00 0.00 33.47 30.08 2kru s TRP 6 CO -0.04 0.16 0.87 0.95 0.02 0.00 0.00 176.95 178.91 2kru s THR 7 N 0.33 4.77 0.33 2.01 -4.23 -0.78 -4.95 115.64 113.11 2kru s THR 7 Ca 0.03 0.64 0.02 0.00 -1.18 0.00 0.00 61.69 61.20 2kru s THR 7 Cb -0.12 -3.81 0.20 0.00 1.34 0.00 0.00 72.50 70.10 2kru s THR 7 CO 0.00 -0.81 1.91 0.00 -0.54 0.00 0.00 174.62 175.18 2kru h ALA 8 N 0.48 1.39 -0.57 3.99 0.00 -1.98 -1.29 119.26 121.28 2kru h ALA 8 Ca -0.46 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.36 2kru h ALA 8 Cb 1.19 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 2kru h ALA 8 CO 0.62 0.46 0.30 0.93 0.00 0.00 0.00 179.25 181.56 2kru h GLU 9 N 0.71 0.55 -0.46 0.00 4.39 -1.93 0.11 114.58 117.96 2kru h GLU 9 Ca 0.17 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.73 2kru h GLU 9 Cb 0.17 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 2kru h GLU 9 CO -0.01 0.37 -0.15 0.00 -1.16 0.00 0.00 179.01 178.06 2kru h ALA 10 N 1.31 0.63 -0.22 3.43 0.00 -1.71 -2.92 119.26 119.78 2kru h ALA 10 Ca 0.26 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2kru h ALA 10 Cb 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2kru h ALA 10 CO -0.17 0.56 0.06 0.93 0.00 0.00 0.00 179.25 180.63 2kru h GLU 11 N 0.75 0.31 -0.61 0.00 4.39 -0.60 0.13 114.58 118.95 2kru h GLU 11 Ca 0.11 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.70 2kru h GLU 11 Cb 0.70 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 2kru h GLU 11 CO 0.05 0.29 0.07 0.87 -1.16 0.00 0.00 179.01 179.13 2kru h LYS 12 N 0.31 1.02 0.08 2.33 1.57 -0.61 0.35 116.57 121.63 2kru h LYS 12 Ca 0.08 -0.29 -0.25 0.00 -1.87 0.00 0.00 60.65 58.32 2kru h LYS 12 Cb 0.11 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2kru h LYS 12 CO -0.00 0.97 -1.15 0.52 -0.57 0.00 0.00 179.45 179.22 2kru h MET 13 N 0.93 0.18 0.00 3.15 2.86 -1.34 -3.22 114.93 117.48 2kru h MET 13 Ca 0.18 -0.30 -0.14 0.00 -2.06 0.00 0.00 59.70 57.38 2kru h MET 13 Cb 0.47 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 2kru h MET 13 CO 0.02 1.14 -0.65 1.25 1.06 0.00 0.00 176.91 179.73 2kru h LEU 14 N 0.05 0.00 -0.05 1.22 5.85 -0.66 -2.73 115.31 118.99 2kru h LEU 14 Ca -0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2kru h LEU 14 Cb 1.90 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.93 2kru h LEU 14 CO 0.18 0.65 0.00 0.61 -0.34 0.00 0.00 178.44 179.54 2kru n GLY 15 N 0.37 -1.07 0.01 3.75 0.00 0.12 -1.56 105.19 106.82 2kru n GLY 15 Ca -0.01 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.11 2kru n GLY 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kru n LYS 16 N -1.56 0.23 -4.02 1.61 4.81 -1.03 -4.75 118.16 113.44 2kru n LYS 16 Ca 0.04 -0.02 -0.35 0.00 -0.87 0.00 0.00 58.31 57.11 2kru n LYS 16 Cb 0.19 -1.50 -0.09 0.00 0.02 0.00 0.00 35.03 33.65 2kru n LYS 16 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2kru s VAL 17 N -2.79 4.82 0.29 3.15 1.01 -0.60 -5.07 120.40 121.21 2kru s VAL 17 Ca 0.21 -0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 2kru s VAL 17 Cb 0.20 -3.15 -0.13 0.00 0.00 0.00 0.00 36.38 33.29 2kru s VAL 17 CO 0.51 0.49 1.26 -2.65 0.00 0.00 0.00 175.10 174.70 2kru n PRO 18 N 3.29 1.88 0.18 2.72 -0.02 -1.26 -4.60 135.00 137.19 2kru n PRO 18 Ca -0.17 0.66 0.14 0.00 -2.02 0.00 0.00 63.50 62.11 2kru n PRO 18 Cb 0.53 -2.22 0.72 0.00 -0.02 0.00 0.00 33.50 32.51 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 3.01 0.00 -0.67 6.00 3.57 -1.94 0.18 116.94 127.09 2kru h PHE 19 Ca -0.44 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.13 2kru h PHE 19 Cb 1.30 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.98 2kru h PHE 19 CO 0.52 0.00 0.35 0.74 -2.23 0.00 0.00 178.31 177.69 2kru h PHE 20 N 0.00 0.64 -0.00 0.41 0.04 -2.03 -2.78 116.94 113.22 2kru h PHE 20 Ca 0.09 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.88 2kru h PHE 20 Cb 0.37 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.33 2kru h PHE 20 CO 0.00 0.28 -0.51 1.33 -0.60 0.00 0.00 178.31 178.81 2kru n VAL 21 N -4.83 0.00 -0.25 -0.55 0.24 -0.77 -4.57 118.33 107.60 2kru n VAL 21 Ca 0.09 -0.25 -0.04 0.00 -2.04 0.00 0.00 64.34 62.11 2kru n VAL 21 Cb 0.21 1.04 0.08 0.00 -1.47 0.00 0.00 33.84 33.69 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 0.39 0.86 0.00 7.34 2.43 -0.37 -1.02 114.38 124.00 2kru h ARG 22 Ca 0.00 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 2kru h ARG 22 Cb 0.34 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 2kru h ARG 22 CO 0.00 0.57 -0.21 1.57 -1.51 0.00 0.00 179.97 180.38 2kru h LYS 23 N 0.88 0.00 0.00 0.20 5.09 -1.80 -0.72 116.57 120.23 2kru h LYS 23 Ca 0.28 0.00 -0.25 0.00 0.09 0.00 0.00 60.65 60.77 2kru h LYS 23 Cb -0.00 0.00 0.01 0.00 0.10 0.00 0.00 32.23 32.34 2kru h LYS 23 CO -0.10 0.21 -1.00 -0.22 -2.09 0.00 0.00 179.45 176.26 2kru h LYS 24 N 0.00 0.56 -0.59 0.07 3.64 -1.51 -1.84 116.57 116.90 2kru h LYS 24 Ca -0.00 -0.61 -0.06 0.00 -1.27 0.00 0.00 60.65 58.71 2kru h LYS 24 Cb 0.59 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 2kru h LYS 24 CO 0.03 1.22 0.14 0.28 -2.27 0.00 0.00 179.45 178.85 2kru h VAL 25 N 0.31 1.25 0.14 2.00 2.07 -0.84 -2.06 116.25 119.13 2kru h VAL 25 Ca -0.11 -0.92 0.01 0.00 0.82 0.00 0.00 66.70 66.51 2kru h VAL 25 Cb 1.64 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 2kru h VAL 25 CO 0.19 0.34 -0.18 -0.09 0.02 0.00 0.00 177.57 177.84 2kru h ARG 26 N 0.86 -0.36 -0.32 1.57 2.43 -1.06 -0.94 114.38 116.57 2kru h ARG 26 Ca 0.19 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.42 2kru h ARG 26 Cb 0.36 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 2kru h ARG 26 CO 0.00 -0.24 0.21 -0.22 -1.51 0.00 0.00 179.97 178.22 2kru h LYS 27 N -0.37 0.27 -0.16 0.20 3.64 -1.26 0.27 116.57 119.17 2kru h LYS 27 Ca 0.01 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2kru h LYS 27 Cb 0.37 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2kru h LYS 27 CO -0.07 0.18 -0.00 -0.97 -2.27 0.00 0.00 179.45 176.32 2kru h ASN 28 N 0.28 0.28 -0.25 4.20 -0.73 -0.70 -2.58 115.58 116.08 2kru h ASN 28 Ca 0.13 -0.31 -0.10 0.00 1.87 0.00 0.00 56.30 57.89 2kru h ASN 28 Cb 0.18 -0.08 -0.02 0.00 0.27 0.00 0.00 38.32 38.68 2kru h ASN 28 CO -0.03 0.52 -0.17 0.71 -0.37 0.00 0.00 177.43 178.10 2kru h THR 29 N 0.03 1.26 -0.65 -3.57 1.35 0.01 -0.74 112.91 110.59 2kru h THR 29 Ca 0.05 -1.22 0.08 0.00 -0.55 0.00 0.00 66.41 64.77 2kru h THR 29 Cb 0.38 1.16 -0.07 0.00 -1.73 0.00 0.00 68.15 67.90 2kru h THR 29 CO 0.01 0.41 0.31 0.44 -0.25 0.00 0.00 175.52 176.43 2kru h ASP 30 N 0.62 0.40 1.10 5.36 3.32 -0.40 0.25 116.42 127.06 2kru h ASP 30 Ca 0.10 0.06 -0.12 0.00 0.02 0.00 0.00 57.03 57.08 2kru h ASP 30 Cb 0.63 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 2kru h ASP 30 CO 0.04 0.24 -0.58 0.78 -1.72 0.00 0.00 179.24 178.00 2kru h ASN 31 N 0.55 0.00 -0.03 6.45 2.35 -1.25 -1.58 115.58 122.07 2kru h ASN 31 Ca 0.32 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.06 2kru h ASN 31 Cb 0.32 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.69 2kru h ASN 31 CO -0.26 0.58 -0.02 0.22 -1.65 0.00 0.00 177.43 176.31 2kru h TYR 32 N 0.00 0.07 -0.47 1.19 3.20 0.28 -0.04 116.97 121.20 2kru h TYR 32 Ca -0.01 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 2kru h TYR 32 Cb 1.29 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.53 2kru h TYR 32 CO 0.00 0.49 0.11 0.00 -1.64 0.00 0.00 178.16 177.13 2kru h ALA 33 N 0.56 0.62 -0.92 1.82 0.00 -0.62 -1.84 119.26 118.88 2kru h ALA 33 Ca 0.00 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.77 2kru h ALA 33 Cb 0.48 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 2kru h ALA 33 CO 0.00 0.31 0.60 -0.09 0.00 0.00 0.00 179.25 180.08 2kru h ARG 34 N 0.63 1.04 -0.19 0.00 2.43 -1.27 0.29 114.38 117.32 2kru h ARG 34 Ca 0.15 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.14 2kru h ARG 34 Cb 0.33 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2kru h ARG 34 CO 0.00 0.69 -0.31 1.49 -1.51 0.00 0.00 179.97 180.33 2kru h GLU 35 N 1.07 0.54 0.00 0.20 4.81 -0.61 -3.09 114.58 117.50 2kru h GLU 35 Ca 0.39 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2kru h GLU 35 Cb 0.17 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2kru h GLU 35 CO -0.15 0.94 0.00 -0.84 -0.73 0.00 0.00 179.01 178.23 2kru h ILE 36 N 0.20 0.00 0.00 2.32 3.07 -1.09 -3.47 117.51 118.54 2kru h ILE 36 Ca 0.01 -0.60 0.00 0.00 1.55 0.00 0.00 64.86 65.82 2kru h ILE 36 Cb 0.90 1.58 0.00 0.00 -0.27 0.00 0.00 36.82 39.03 2kru h ILE 36 CO 0.07 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.78 2kru n GLY 37 N 1.08 1.05 3.50 0.16 0.00 0.22 -5.07 105.19 106.12 2kru n GLY 37 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.29 3.35 0.40 1.61 0.41 0.78 -4.95 118.70 120.00 2kru s GLU 38 Ca 0.00 -0.75 0.22 0.00 -0.41 0.00 0.00 54.97 54.03 2kru s GLU 38 Cb 0.00 -3.81 0.59 0.00 -1.78 0.00 0.00 34.13 29.13 2kru s GLU 38 CO 0.00 -0.51 1.68 -1.00 -0.49 0.00 0.00 175.26 174.94 2kru h PRO 39 N 8.50 0.00 -4.97 0.39 0.13 -1.95 -3.34 132.00 130.76 2kru h PRO 39 Ca -0.30 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.17 2kru h PRO 39 Cb 1.15 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.02 2kru h PRO 39 CO 0.65 0.26 -0.69 0.08 -0.23 0.00 0.00 178.00 178.08 2kru s VAL 40 N -3.37 3.69 -0.67 1.56 1.01 -1.26 -0.70 120.40 120.67 2kru s VAL 40 Ca 0.03 -0.42 -0.23 0.00 0.00 0.00 0.00 61.98 61.36 2kru s VAL 40 Cb 0.08 -2.72 0.07 0.00 0.00 0.00 0.00 36.38 33.82 2kru s VAL 40 CO 0.67 0.37 0.98 -0.69 0.00 0.00 0.00 175.10 176.43 2kru s VAL 41 N 1.52 4.30 0.74 2.92 1.01 0.16 -4.95 120.40 126.09 2kru s VAL 41 Ca 0.06 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 2kru s VAL 41 Cb -0.15 -4.70 0.13 0.00 0.00 0.00 0.00 36.38 31.67 2kru s VAL 41 CO -0.01 -1.48 1.01 0.42 0.00 0.00 0.00 175.10 175.05 2kru s THR 42 N 4.14 2.12 0.37 3.92 -4.23 -1.26 -1.86 115.64 118.84 2kru s THR 42 Ca 0.23 -0.57 0.08 0.00 -1.18 0.00 0.00 61.69 60.25 2kru s THR 42 Cb -0.16 -2.55 0.16 0.00 1.34 0.00 0.00 72.50 71.29 2kru s THR 42 CO 0.10 0.00 1.91 0.00 -0.54 0.00 0.00 174.62 176.09 2kru h ALA 43 N -0.59 1.48 0.25 3.99 0.00 -1.93 0.40 119.26 122.85 2kru h ALA 43 Ca -0.37 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 2kru h ALA 43 Cb 1.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2kru h ALA 43 CO 0.40 0.37 -0.12 -0.44 0.00 0.00 0.00 179.25 179.46 2kru h ASP 44 N 0.30 -0.28 -0.54 0.00 5.19 -1.97 0.74 116.42 119.85 2kru h ASP 44 Ca 0.06 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.44 2kru h ASP 44 Cb 0.35 0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.91 2kru h ASP 44 CO 0.02 -0.18 0.27 0.58 -3.12 0.00 0.00 179.24 176.81 2kru h VAL 45 N -0.36 1.20 -0.77 -1.35 2.07 -1.86 -1.86 116.25 113.33 2kru h VAL 45 Ca -0.03 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 2kru h VAL 45 Cb 0.28 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 2kru h VAL 45 CO 0.06 0.22 0.41 0.15 0.02 0.00 0.00 177.57 178.42 2kru h PHE 46 N 0.73 1.07 0.04 1.57 3.57 -0.75 0.11 116.94 123.27 2kru h PHE 46 Ca 0.19 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 2kru h PHE 46 Cb 0.10 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.50 2kru h PHE 46 CO -0.01 0.76 -0.02 -0.09 -2.23 0.00 0.00 178.31 176.72 2kru h ARG 47 N 1.07 -0.05 -0.92 1.11 2.43 -0.63 -1.23 114.38 116.16 2kru h ARG 47 Ca 0.27 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.50 2kru h ARG 47 Cb 0.06 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.56 2kru h ARG 47 CO -0.04 0.05 0.58 0.87 -1.51 0.00 0.00 179.97 179.92 2kru h LYS 48 N -0.13 1.05 0.47 0.20 1.57 -0.93 -1.99 116.57 116.80 2kru h LYS 48 Ca -0.01 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2kru h LYS 48 Cb 0.12 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.20 2kru h LYS 48 CO 0.01 0.69 -0.22 0.00 -0.57 0.00 0.00 179.45 179.36 2kru h ALA 49 N 1.41 -0.63 -0.73 3.86 0.00 -0.55 0.49 119.26 123.12 2kru h ALA 49 Ca 0.39 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2kru h ALA 49 Cb 0.13 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2kru h ALA 49 CO -0.16 -0.77 0.39 1.57 0.00 0.00 0.00 179.25 180.28 2kru h LYS 50 N -0.79 1.03 0.00 0.00 2.10 -1.04 0.11 116.57 117.97 2kru h LYS 50 Ca -0.06 -0.13 -0.17 0.00 -2.00 0.00 0.00 60.65 58.29 2kru h LYS 50 Cb 0.56 -0.20 -0.02 0.00 -0.90 0.00 0.00 32.23 31.66 2kru h LYS 50 CO 0.11 0.77 -0.79 0.93 -2.00 0.00 0.00 179.45 178.47 2kru h GLU 51 N 1.01 0.00 -0.65 0.07 5.08 -1.40 -0.14 114.58 118.56 2kru h GLU 51 Ca 0.26 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.54 2kru h GLU 51 Cb 0.05 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 2kru h GLU 51 CO -0.04 0.79 0.08 1.25 -1.00 0.00 0.00 179.01 180.09 2kru h HIS 52 N 0.00 1.15 -0.07 4.33 2.76 -0.42 -2.65 115.15 120.25 2kru h HIS 52 Ca -0.01 -0.16 -0.12 0.00 -2.20 0.00 0.00 60.37 57.88 2kru h HIS 52 Cb 1.48 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 30.11 2kru h HIS 52 CO 0.00 0.97 -0.50 -0.07 -1.30 0.00 0.00 177.93 177.03 2kru h LEU 53 N 1.00 0.19 0.00 0.26 3.38 -0.76 -3.47 115.31 115.91 2kru h LEU 53 Ca 0.19 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2kru h LEU 53 Cb 0.46 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2kru h LEU 53 CO 0.02 0.67 0.00 0.61 0.09 0.00 0.00 178.44 179.82 2kru n GLY 54 N 0.01 2.44 5.47 0.83 0.00 -0.08 -4.82 105.19 109.04 2kru n GLY 54 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 1.76 0.00 -0.02 0.00 -1.25 -2.78 105.19 102.90 2kru n GLY 55 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 -2.87 0.99 7.94 -1.26 -5.09 117.00 116.70 2kru n LEU 56 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 2kru n LEU 56 Cb 0.00 0.00 0.01 0.00 0.53 0.00 0.00 43.42 43.96 2kru n LEU 56 CO 0.00 0.00 -0.10 -0.62 -1.11 0.00 0.00 177.39 175.56 2kru n GLU 57 N 0.00 -2.56 -3.53 1.96 -0.58 -1.12 -5.04 120.64 109.78 2kru n GLU 57 Ca 0.00 2.20 -0.29 0.00 -0.42 0.00 0.00 57.16 58.65 2kru n GLU 57 Cb 0.00 -5.30 -0.14 0.00 -0.57 0.00 0.00 31.44 25.43 2kru n GLU 57 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2kru s HIS 58 N -2.30 0.60 -0.48 -0.32 3.76 -1.26 -4.95 115.29 110.35 2kru s HIS 58 Ca 0.20 -1.26 -0.12 0.00 -0.15 0.00 0.00 55.06 53.74 2kru s HIS 58 Cb -0.05 -0.98 0.01 0.00 1.11 0.00 0.00 32.58 32.67 2kru s HIS 58 CO 0.77 -0.83 0.59 0.72 -0.85 0.00 0.00 174.74 175.14 2kru n HIS 59 N 4.72 -3.21 -1.61 1.40 8.25 -1.26 -4.85 115.22 118.65 2kru n HIS 59 Ca 0.02 1.28 -0.43 0.00 -0.26 0.00 0.00 57.72 58.32 2kru n HIS 59 Cb 0.40 -3.97 -0.03 0.00 1.12 0.00 0.00 29.99 27.50 2kru n HIS 59 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kru n HIS 60 N -0.64 2.10 -1.93 4.41 -0.00 -1.26 -4.93 115.22 112.98 2kru n HIS 60 Ca 0.09 -0.18 -0.29 0.00 0.46 0.00 0.00 57.72 57.80 2kru n HIS 60 Cb 0.45 -2.74 0.08 0.00 -0.12 0.00 0.00 29.99 27.66 2kru n HIS 60 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kru s HIS 61 N 7.17 3.05 -0.24 1.57 3.76 -1.26 -4.97 115.29 124.38 2kru s HIS 61 Ca 0.98 0.80 0.23 0.00 -0.15 0.00 0.00 55.06 56.92 2kru s HIS 61 Cb -0.39 -3.35 -0.01 0.00 1.11 0.00 0.00 32.58 29.94 2kru s HIS 61 CO 0.38 -1.57 1.01 1.58 -0.85 0.00 0.00 174.74 175.29 2kru n HIS 62 N -3.19 0.87 -1.56 1.40 -0.00 -1.26 -5.25 115.22 106.23 2kru n HIS 62 Ca 0.08 0.25 0.00 0.00 0.46 0.00 0.00 57.72 58.51 2kru n HIS 62 Cb 0.60 -0.91 0.00 0.00 -0.12 0.00 0.00 29.99 29.56 2kru n HIS 62 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41