#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 2.70 3.02 3.03 0.00 -1.26 -5.17 105.19 107.51 2kru n GLY 2 Ca 0.00 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.53 0.17 1.11 1.61 2.12 -1.26 -5.04 118.70 116.88 2kru s GLU 3 Ca 0.00 0.61 -0.16 0.00 0.36 0.00 0.00 54.97 55.77 2kru s GLU 3 Cb 0.00 -0.10 0.24 0.00 0.26 0.00 0.00 34.13 34.53 2kru s GLU 3 CO 0.00 -0.21 1.12 -0.51 -0.54 0.00 0.00 175.26 175.11 2kru s LEU 4 N 1.73 1.13 -0.66 2.70 1.43 -1.26 -4.95 118.68 118.80 2kru s LEU 4 Ca -0.05 0.81 -0.23 0.00 -1.03 0.00 0.00 54.13 53.63 2kru s LEU 4 Cb -0.11 -2.73 0.07 0.00 0.03 0.00 0.00 46.19 43.45 2kru s LEU 4 CO -0.08 -3.67 0.97 -0.44 0.23 0.00 0.00 176.35 173.36 2kru s SER 5 N -3.80 6.17 -0.02 2.29 0.01 -0.90 -4.92 113.70 112.53 2kru s SER 5 Ca 0.69 -0.97 -0.29 0.00 1.31 0.00 0.00 55.95 56.68 2kru s SER 5 Cb -0.13 -2.42 -0.03 0.00 0.21 0.00 0.00 66.02 63.65 2kru s SER 5 CO 0.56 -1.46 0.96 0.26 0.41 0.00 0.00 173.24 173.98 2kru s TRP 6 N 4.12 3.64 0.62 2.43 0.52 -1.26 -0.34 118.94 128.67 2kru s TRP 6 Ca 0.22 1.65 -0.02 0.00 0.02 0.00 0.00 56.10 57.98 2kru s TRP 6 Cb -0.17 -3.10 0.05 0.00 -1.15 0.00 0.00 33.47 29.11 2kru s TRP 6 CO 0.10 -0.02 0.88 0.95 0.02 0.00 0.00 176.95 178.88 2kru s THR 7 N 1.09 2.48 0.39 2.01 -4.23 -0.54 -4.91 115.64 111.93 2kru s THR 7 Ca 0.50 -0.53 0.09 0.00 -1.18 0.00 0.00 61.69 60.58 2kru s THR 7 Cb -0.20 -2.95 0.18 0.00 1.34 0.00 0.00 72.50 70.86 2kru s THR 7 CO 0.26 0.00 1.94 0.00 -0.54 0.00 0.00 174.62 176.29 2kru h ALA 8 N -0.22 1.55 -0.13 3.99 0.00 -1.97 -1.55 119.26 120.92 2kru h ALA 8 Ca -0.42 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.33 2kru h ALA 8 Cb 1.30 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2kru h ALA 8 CO 0.53 0.33 0.07 0.93 0.00 0.00 0.00 179.25 181.11 2kru h GLU 9 N 0.30 0.15 -0.17 0.00 3.07 -1.94 -0.03 114.58 115.96 2kru h GLU 9 Ca 0.07 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.88 2kru h GLU 9 Cb 0.28 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 2kru h GLU 9 CO 0.01 0.10 -0.04 0.00 -1.40 0.00 0.00 179.01 177.68 2kru h ALA 10 N 1.06 0.23 0.00 3.43 0.00 -1.66 -3.02 119.26 119.31 2kru h ALA 10 Ca 0.05 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2kru h ALA 10 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2kru h ALA 10 CO -0.03 0.00 -0.28 0.93 0.00 0.00 0.00 179.25 179.87 2kru h GLU 11 N 0.04 0.00 -0.77 0.00 5.08 -1.25 0.71 114.58 118.38 2kru h GLU 11 Ca 0.04 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.48 2kru h GLU 11 Cb 0.48 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.67 2kru h GLU 11 CO 0.02 0.28 0.44 -0.22 -1.00 0.00 0.00 179.01 178.52 2kru h LYS 12 N 0.00 0.75 0.04 2.33 3.64 -0.86 0.47 116.57 122.94 2kru h LYS 12 Ca -0.00 -0.04 -0.24 0.00 -1.27 0.00 0.00 60.65 59.10 2kru h LYS 12 Cb 0.50 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 2kru h LYS 12 CO 0.04 0.49 -1.13 0.52 -2.27 0.00 0.00 179.45 177.10 2kru h MET 13 N 0.77 0.08 0.00 1.90 2.86 -1.37 -3.26 114.93 115.91 2kru h MET 13 Ca 0.36 -0.14 -0.07 0.00 -2.06 0.00 0.00 59.70 57.79 2kru h MET 13 Cb 0.27 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 2kru h MET 13 CO -0.22 1.03 -0.33 1.25 1.06 0.00 0.00 176.91 179.70 2kru h LEU 14 N 0.02 0.00 -0.51 1.22 5.85 -0.18 -2.17 115.31 119.54 2kru h LEU 14 Ca -0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2kru h LEU 14 Cb 1.85 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.88 2kru h LEU 14 CO 0.15 0.33 0.00 0.61 -0.34 0.00 0.00 178.44 179.19 2kru n GLY 15 N -0.56 -0.99 0.19 3.75 0.00 0.16 -0.85 105.19 106.89 2kru n GLY 15 Ca -0.02 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.18 2kru n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kru h LYS 16 N 0.00 0.00 -6.46 1.61 1.79 -1.54 -3.45 116.57 108.52 2kru h LYS 16 Ca 0.00 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 2kru h LYS 16 Cb 0.20 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.83 2kru h LYS 16 CO 0.00 0.00 0.40 0.08 -1.08 0.00 0.00 179.45 178.85 2kru s VAL 17 N -3.18 4.65 0.55 0.50 1.01 -0.03 -5.01 120.40 118.89 2kru s VAL 17 Ca 0.08 1.96 -0.20 0.00 0.00 0.00 0.00 61.98 63.82 2kru s VAL 17 Cb 0.07 -4.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.14 2kru s VAL 17 CO 0.65 0.18 1.01 -2.65 0.00 0.00 0.00 175.10 174.30 2kru n PRO 18 N 3.65 1.09 0.06 2.72 -0.02 -1.26 -4.69 135.00 136.56 2kru n PRO 18 Ca 0.06 0.41 0.03 0.00 -2.02 0.00 0.00 63.50 61.98 2kru n PRO 18 Cb 0.50 -2.18 0.40 0.00 -0.02 0.00 0.00 33.50 32.20 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 0.83 0.39 -0.36 6.00 3.57 -1.95 0.11 116.94 125.53 2kru h PHE 19 Ca -0.48 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 60.95 2kru h PHE 19 Cb 1.35 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.95 2kru h PHE 19 CO 0.39 0.36 0.01 0.74 -2.23 0.00 0.00 178.31 177.59 2kru h PHE 20 N 0.39 0.58 -0.33 0.41 0.04 -2.04 -2.80 116.94 113.20 2kru h PHE 20 Ca 0.09 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.81 2kru h PHE 20 Cb 0.17 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.16 2kru h PHE 20 CO 0.00 0.56 0.00 1.33 -0.60 0.00 0.00 178.31 179.61 2kru n VAL 21 N -4.28 1.14 -0.00 -0.55 0.24 -0.77 -4.63 118.33 109.47 2kru n VAL 21 Ca 0.02 -1.10 -0.12 0.00 -2.04 0.00 0.00 64.34 61.10 2kru n VAL 21 Cb 0.24 0.42 -0.07 0.00 -1.47 0.00 0.00 33.84 32.97 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 1.93 0.10 -0.14 7.34 9.65 -0.71 -1.89 114.38 130.67 2kru h ARG 22 Ca 0.00 -0.02 -0.09 0.00 -1.10 0.00 0.00 59.98 58.77 2kru h ARG 22 Cb 0.80 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.35 2kru h ARG 22 CO 0.02 0.21 -0.33 -0.22 2.80 0.00 0.00 179.97 182.45 2kru h LYS 23 N -0.03 0.27 -0.14 0.20 3.64 -1.82 0.74 116.57 119.43 2kru h LYS 23 Ca 0.02 -0.11 0.03 0.00 -1.27 0.00 0.00 60.65 59.33 2kru h LYS 23 Cb 0.15 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 2kru h LYS 23 CO -0.00 0.58 -0.07 -0.22 -2.27 0.00 0.00 179.45 177.46 2kru h LYS 24 N 0.24 -0.06 -0.11 1.90 3.11 -1.76 0.10 116.57 119.99 2kru h LYS 24 Ca 0.03 0.00 -0.21 0.00 -2.81 0.00 0.00 60.65 57.67 2kru h LYS 24 Cb 0.71 0.01 0.01 0.00 -1.00 0.00 0.00 32.23 31.96 2kru h LYS 24 CO 0.05 -0.04 -0.74 0.28 -2.81 0.00 0.00 179.45 176.19 2kru h VAL 25 N -0.07 1.30 -0.16 2.00 2.07 -1.08 -1.59 116.25 118.73 2kru h VAL 25 Ca 0.08 -1.98 0.02 0.00 0.82 0.00 0.00 66.70 65.64 2kru h VAL 25 Cb 0.19 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 2kru h VAL 25 CO -0.18 0.62 0.05 -0.09 0.02 0.00 0.00 177.57 177.98 2kru h ARG 26 N 0.40 0.12 0.00 1.57 2.43 -0.64 0.58 114.38 118.83 2kru h ARG 26 Ca -0.06 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 58.99 2kru h ARG 26 Cb 1.39 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.89 2kru h ARG 26 CO 0.15 0.08 -0.53 -0.22 -1.51 0.00 0.00 179.97 177.95 2kru h LYS 27 N 0.12 0.00 -0.15 0.20 3.64 -0.86 -1.63 116.57 117.89 2kru h LYS 27 Ca 0.07 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.31 2kru h LYS 27 Cb 0.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2kru h LYS 27 CO -0.08 0.53 -0.45 -0.97 -2.27 0.00 0.00 179.45 176.21 2kru h ASN 28 N 0.00 0.65 0.47 4.20 -1.24 -0.47 0.42 115.58 119.61 2kru h ASN 28 Ca -0.01 -0.59 -0.13 0.00 0.71 0.00 0.00 56.30 56.28 2kru h ASN 28 Cb 0.94 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.79 2kru h ASN 28 CO 0.07 1.13 -0.57 0.74 -1.29 0.00 0.00 177.43 177.51 2kru h THR 29 N 0.21 1.40 0.23 -3.57 2.02 -0.93 0.99 112.91 113.25 2kru h THR 29 Ca -0.01 -1.94 0.00 0.00 0.77 0.00 0.00 66.41 65.23 2kru h THR 29 Cb 1.07 2.01 -0.02 0.00 -1.74 0.00 0.00 68.15 69.47 2kru h THR 29 CO 0.10 0.56 -0.23 -0.78 0.37 0.00 0.00 175.52 175.53 2kru h ASP 30 N 0.08 -0.63 0.28 4.18 1.82 -1.00 0.66 116.42 121.81 2kru h ASP 30 Ca -0.00 0.06 -0.03 0.00 -0.39 0.00 0.00 57.03 56.67 2kru h ASP 30 Cb 1.03 0.22 -0.00 0.00 0.68 0.00 0.00 39.33 41.26 2kru h ASP 30 CO 0.08 -0.34 -0.14 0.78 -1.61 0.00 0.00 179.24 178.01 2kru h ASN 31 N -0.50 0.00 -0.09 2.28 -0.26 -0.76 -1.88 115.58 114.37 2kru h ASN 31 Ca -0.00 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.64 2kru h ASN 31 Cb 0.47 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.73 2kru h ASN 31 CO -0.05 0.14 -0.32 0.22 -1.06 0.00 0.00 177.43 176.35 2kru h TYR 32 N 0.00 0.51 -0.31 1.19 3.20 0.15 -2.83 116.97 118.88 2kru h TYR 32 Ca -0.00 -0.21 -0.09 0.00 3.14 0.00 0.00 58.73 61.57 2kru h TYR 32 Cb 0.31 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 2kru h TYR 32 CO 0.00 0.94 -0.18 0.00 -1.64 0.00 0.00 178.16 177.28 2kru h ALA 33 N 0.47 1.11 -0.10 1.82 0.00 0.66 -1.50 119.26 121.72 2kru h ALA 33 Ca -0.01 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 2kru h ALA 33 Cb 0.95 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2kru h ALA 33 CO 0.07 0.55 -0.17 0.00 0.00 0.00 0.00 179.25 179.70 2kru h ARG 34 N 0.51 0.16 -0.11 0.00 3.08 -1.39 0.36 114.38 117.00 2kru h ARG 34 Ca 0.08 -0.04 -0.23 0.00 0.07 0.00 0.00 59.98 59.86 2kru h ARG 34 Cb 0.60 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.64 2kru h ARG 34 CO 0.04 0.34 -0.85 1.49 -1.07 0.00 0.00 179.97 179.92 2kru h GLU 35 N 0.15 0.73 0.00 0.04 4.81 -1.04 -3.17 114.58 116.10 2kru h GLU 35 Ca 0.03 -0.64 0.00 0.00 -0.13 0.00 0.00 59.36 58.62 2kru h GLU 35 Cb 0.40 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2kru h GLU 35 CO 0.03 1.25 -0.34 -0.84 -0.73 0.00 0.00 179.01 178.37 2kru h ILE 36 N 0.48 0.00 -0.51 2.32 3.07 -1.12 -3.48 117.51 118.26 2kru h ILE 36 Ca -0.07 -0.92 0.00 0.00 1.55 0.00 0.00 64.86 65.42 2kru h ILE 36 Cb 1.48 1.75 0.00 0.00 -0.27 0.00 0.00 36.82 39.77 2kru h ILE 36 CO 0.17 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.88 2kru n GLY 37 N 1.16 0.57 2.73 0.16 0.00 0.43 -5.09 105.19 105.15 2kru n GLY 37 Ca 0.03 -0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.59 0.62 0.33 1.61 2.56 0.98 -5.00 118.70 119.21 2kru s GLU 38 Ca 0.00 -0.34 0.24 0.00 0.00 0.00 0.00 54.97 54.88 2kru s GLU 38 Cb 0.00 -1.96 0.55 0.00 2.00 0.00 0.00 34.13 34.73 2kru s GLU 38 CO 0.00 -0.60 1.68 -1.00 -0.56 0.00 0.00 175.26 174.78 2kru h PRO 39 N 8.26 0.00 -4.61 4.30 0.13 -1.97 -3.37 132.00 134.75 2kru h PRO 39 Ca -0.17 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.27 2kru h PRO 39 Cb 1.12 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.93 2kru h PRO 39 CO 0.32 0.00 -0.61 0.08 -0.23 0.00 0.00 178.00 177.57 2kru s VAL 40 N -3.16 3.31 -0.77 1.56 1.01 -1.26 -2.12 120.40 118.97 2kru s VAL 40 Ca 0.09 -1.65 -0.26 0.00 0.00 0.00 0.00 61.98 60.15 2kru s VAL 40 Cb 0.08 -3.07 0.03 0.00 0.00 0.00 0.00 36.38 33.42 2kru s VAL 40 CO 0.64 -0.40 1.36 -0.69 0.00 0.00 0.00 175.10 176.00 2kru s VAL 41 N 1.23 3.71 0.37 2.92 1.01 0.54 -4.95 120.40 125.23 2kru s VAL 41 Ca 0.02 0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.24 2kru s VAL 41 Cb -0.21 -4.85 0.07 0.00 0.00 0.00 0.00 36.38 31.39 2kru s VAL 41 CO -0.02 -1.78 0.50 0.35 0.00 0.00 0.00 175.10 174.16 2kru n THR 42 N 6.53 0.00 -0.05 3.92 -2.24 -1.26 -1.46 114.28 119.72 2kru n THR 42 Ca 0.09 -0.86 -0.10 0.00 -2.27 0.00 0.00 64.05 60.91 2kru n THR 42 Cb 0.49 -1.05 -0.04 0.00 -2.10 0.00 0.00 70.33 67.63 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 -0.38 0.25 -0.67 6.98 0.00 -1.92 -0.63 119.26 122.89 2kru h ALA 43 Ca -0.17 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 2kru h ALA 43 Cb 0.64 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2kru h ALA 43 CO 0.19 -0.24 0.19 0.22 0.00 0.00 0.00 179.25 179.61 2kru h ASP 44 N 0.23 0.98 -0.72 0.00 3.58 -1.96 0.08 116.42 118.62 2kru h ASP 44 Ca 0.07 -0.19 -0.07 0.00 0.42 0.00 0.00 57.03 57.27 2kru h ASP 44 Cb 0.03 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.79 2kru h ASP 44 CO -0.01 0.93 0.19 0.58 -2.88 0.00 0.00 179.24 178.04 2kru h VAL 45 N 1.00 1.26 -0.49 2.25 2.07 -1.86 0.12 116.25 120.60 2kru h VAL 45 Ca 0.22 -0.96 -0.10 0.00 0.82 0.00 0.00 66.70 66.67 2kru h VAL 45 Cb 0.32 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 2kru h VAL 45 CO -0.00 0.37 -0.10 0.15 0.02 0.00 0.00 177.57 178.01 2kru h PHE 46 N 1.08 1.05 -0.05 1.57 3.57 -0.66 -2.75 116.94 120.75 2kru h PHE 46 Ca 0.23 -0.22 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 2kru h PHE 46 Cb 0.36 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 2kru h PHE 46 CO 0.03 1.00 -0.37 -0.09 -2.23 0.00 0.00 178.31 176.65 2kru h ARG 47 N 0.79 0.11 -0.42 1.11 2.43 -0.66 -1.89 114.38 115.85 2kru h ARG 47 Ca 0.13 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.32 2kru h ARG 47 Cb 0.65 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.14 2kru h ARG 47 CO 0.05 0.47 0.08 0.87 -1.51 0.00 0.00 179.97 179.93 2kru h LYS 48 N 0.09 0.21 -0.46 0.20 1.57 -0.49 0.32 116.57 118.01 2kru h LYS 48 Ca 0.01 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2kru h LYS 48 Cb 0.70 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 2kru h LYS 48 CO 0.05 0.14 0.24 0.00 -0.57 0.00 0.00 179.45 179.31 2kru h ALA 49 N 1.32 0.59 0.00 3.86 0.00 -1.16 -0.02 119.26 123.84 2kru h ALA 49 Ca 0.21 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2kru h ALA 49 Cb 0.25 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2kru h ALA 49 CO -0.27 0.13 -0.31 0.87 0.00 0.00 0.00 179.25 179.67 2kru h LYS 50 N 0.60 0.00 -0.09 0.00 1.79 -0.81 0.48 116.57 118.54 2kru h LYS 50 Ca 0.16 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.46 2kru h LYS 50 Cb 0.08 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 2kru h LYS 50 CO -0.02 0.31 -0.68 1.49 -1.08 0.00 0.00 179.45 179.46 2kru h GLU 51 N 0.00 0.37 0.04 3.15 4.81 0.09 -3.03 114.58 120.01 2kru h GLU 51 Ca -0.00 -0.29 -0.23 0.00 -0.13 0.00 0.00 59.36 58.71 2kru h GLU 51 Cb 0.60 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 2kru h GLU 51 CO 0.04 0.92 -1.02 1.25 -0.73 0.00 0.00 179.01 179.46 2kru h HIS 52 N 0.26 0.38 -2.86 0.92 2.76 0.02 -3.42 115.15 113.20 2kru h HIS 52 Ca -0.02 -0.24 -0.53 0.00 -2.20 0.00 0.00 60.37 57.39 2kru h HIS 52 Cb 1.24 -0.03 -0.40 0.00 1.55 0.00 0.00 27.41 29.77 2kru h HIS 52 CO 0.04 1.11 -0.77 -0.48 -1.30 0.00 0.00 177.93 176.52 2kru s LEU 53 N -7.30 0.69 0.02 0.26 0.05 0.16 -5.03 118.68 107.52 2kru s LEU 53 Ca -0.03 -1.24 -0.27 0.00 0.05 0.00 0.00 54.13 52.65 2kru s LEU 53 Cb 0.09 -0.39 -0.16 0.00 -2.05 0.00 0.00 46.19 43.68 2kru s LEU 53 CO 0.85 -0.42 1.18 1.23 -0.55 0.00 0.00 176.35 178.64 2kru h GLY 54 N 8.38 -0.82 0.00 -3.48 0.00 -1.79 -3.38 103.07 101.98 2kru h GLY 54 Ca -0.19 0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.45 2kru h GLY 54 CO 0.42 -0.30 0.00 0.61 0.00 0.00 0.00 176.54 177.28 2kru n GLY 55 N -0.60 2.03 0.49 4.60 0.00 -1.26 -4.12 105.19 106.32 2kru n GLY 55 Ca -0.11 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 2kru n GLY 55 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kru n LEU 56 N 0.00 1.33 -1.75 0.99 4.77 -1.26 -5.02 117.00 116.05 2kru n LEU 56 Ca 0.00 0.22 -0.17 0.00 -0.03 0.00 0.00 56.01 56.03 2kru n LEU 56 Cb 0.00 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 40.54 2kru n LEU 56 CO 0.00 0.03 -0.20 -0.62 -1.33 0.00 0.00 177.39 175.27 2kru n GLU 57 N -3.86 -1.30 -2.82 3.23 1.02 -1.26 -4.99 120.64 110.66 2kru n GLU 57 Ca -0.23 0.90 -0.38 0.00 -0.02 0.00 0.00 57.16 57.43 2kru n GLU 57 Cb 0.57 -5.28 -0.06 0.00 -0.02 0.00 0.00 31.44 26.65 2kru n GLU 57 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2kru s HIS 58 N -2.78 3.78 0.54 -0.32 -3.43 -1.26 -4.99 115.29 106.83 2kru s HIS 58 Ca 0.00 1.77 -0.21 0.00 -0.80 0.00 0.00 55.06 55.82 2kru s HIS 58 Cb 0.00 -2.90 -0.05 0.00 -1.43 0.00 0.00 32.58 28.20 2kru s HIS 58 CO 0.00 0.31 1.29 -3.38 -2.00 0.00 0.00 174.74 170.96 2kru s HIS 59 N -1.46 2.40 -0.41 0.38 -3.43 -1.26 -5.01 115.29 106.49 2kru s HIS 59 Ca 0.46 1.44 0.06 0.00 -0.80 0.00 0.00 55.06 56.22 2kru s HIS 59 Cb -0.21 -3.66 0.17 0.00 -1.43 0.00 0.00 32.58 27.46 2kru s HIS 59 CO 0.26 -2.52 0.55 -1.58 -2.00 0.00 0.00 174.74 169.45 2kru s HIS 60 N -1.40 -1.12 -0.15 0.38 5.04 -1.26 -5.13 115.29 111.65 2kru s HIS 60 Ca 0.72 -0.35 -0.00 0.00 -1.54 0.00 0.00 55.06 53.89 2kru s HIS 60 Cb -0.36 0.03 -0.01 0.00 0.04 0.00 0.00 32.58 32.28 2kru s HIS 60 CO 0.42 -1.11 -0.14 -1.01 -2.34 0.00 0.00 174.74 170.56 2kru s HIS 61 N 1.47 2.80 0.08 3.88 3.76 -1.26 -4.97 115.29 121.06 2kru s HIS 61 Ca 0.19 -0.89 0.00 0.00 -0.15 0.00 0.00 55.06 54.21 2kru s HIS 61 Cb -0.07 -1.89 0.00 0.00 1.11 0.00 0.00 32.58 31.74 2kru s HIS 61 CO -0.06 -0.39 0.00 0.72 -0.85 0.00 0.00 174.74 174.17 2kru n HIS 62 N 3.92 -3.09 -0.67 1.40 8.25 -1.26 -5.36 115.22 118.41 2kru n HIS 62 Ca -0.19 1.85 0.00 0.00 -0.26 0.00 0.00 57.72 59.13 2kru n HIS 62 Cb 0.52 -3.11 0.00 0.00 1.12 0.00 0.00 29.99 28.52 2kru n HIS 62 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70