#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kkh s LEU 3 N 0.00 4.55 -0.00 0.00 2.01 -1.26 -5.00 118.68 118.98 2kkh s LEU 3 Ca 0.00 1.70 -0.30 0.00 0.01 0.00 0.00 54.13 55.54 2kkh s LEU 3 Cb 0.00 -3.42 -0.06 0.00 0.01 0.00 0.00 46.19 42.72 2kkh s LEU 3 CO 0.00 0.09 1.44 -1.10 1.01 0.00 0.00 176.35 177.79 2kkh s GLN 4 N -0.63 4.26 -0.22 1.70 -1.52 -1.26 -4.99 119.66 117.01 2kkh s GLN 4 Ca 0.40 2.01 -0.04 0.00 -1.95 0.00 0.00 55.36 55.77 2kkh s GLN 4 Cb -0.23 -3.61 0.08 0.00 -0.22 0.00 0.00 33.01 29.03 2kkh s GLN 4 CO 0.28 -0.62 0.13 1.21 -0.25 0.00 0.00 175.29 176.04 2kkh s ASN 5 N 2.04 2.56 0.00 5.90 2.47 -1.26 -4.83 114.94 121.82 2kkh s ASN 5 Ca 0.65 -0.78 0.00 0.00 0.42 0.00 0.00 52.86 53.15 2kkh s ASN 5 Cb -0.32 -0.16 0.00 0.00 -1.45 0.00 0.00 41.25 39.32 2kkh s ASN 5 CO 0.27 -0.38 0.00 0.29 -3.72 0.00 0.00 177.10 173.56 2kkh n LYS 6 N 5.28 -1.47 0.28 0.43 5.02 -1.26 -4.71 118.16 121.73 2kkh n LYS 6 Ca -0.06 0.26 0.19 0.00 -2.02 0.00 0.00 58.31 56.68 2kkh n LYS 6 Cb 0.47 -4.08 0.90 0.00 -0.02 0.00 0.00 35.03 32.30 2kkh n LYS 6 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2kkh h GLU 7 N 0.00 0.00 0.00 1.97 5.08 -1.89 -1.79 114.58 117.95 2kkh h GLU 7 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2kkh h GLU 7 Cb 0.53 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 2kkh h GLU 7 CO 0.00 0.00 -0.04 0.93 -1.00 0.00 0.00 179.01 178.90 2kkh h GLU 8 N 0.00 0.00 -0.42 2.33 5.08 -1.97 -1.91 114.58 117.70 2kkh h GLU 8 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 2kkh h GLU 8 Cb 0.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2kkh h GLU 8 CO 0.00 0.04 -0.05 1.49 -1.00 0.00 0.00 179.01 179.49 2kkh h GLU 9 N 0.00 0.70 -1.75 2.33 4.81 -1.70 -3.41 114.58 115.56 2kkh h GLU 9 Ca -0.00 -0.20 -0.16 0.00 -0.13 0.00 0.00 59.36 58.87 2kkh h GLU 9 Cb 0.19 -0.08 -0.29 0.00 0.63 0.00 0.00 28.75 29.21 2kkh h GLU 9 CO 0.01 0.75 -0.50 -1.59 -0.73 0.00 0.00 179.01 176.95 2kkh s LYS 10 N -4.88 0.39 0.09 1.92 -2.85 -0.72 -5.03 119.74 108.66 2kkh s LYS 10 Ca -0.09 0.34 -0.20 0.00 -1.00 0.00 0.00 55.97 55.02 2kkh s LYS 10 Cb 0.15 -0.34 -0.09 0.00 -2.06 0.00 0.00 37.83 35.49 2kkh s LYS 10 CO 0.80 -0.85 1.59 -0.22 0.10 0.00 0.00 175.35 176.77 2kkh h LYS 11 N 8.16 0.32 -3.43 1.78 1.63 -1.79 -3.46 116.57 119.78 2kkh h LYS 11 Ca -0.14 -0.07 -0.14 0.00 -0.85 0.00 0.00 60.65 59.45 2kkh h LYS 11 Cb 1.14 -0.05 -0.21 0.00 -0.60 0.00 0.00 32.23 32.52 2kkh h LYS 11 CO 0.27 0.42 -0.45 -1.59 -3.45 0.00 0.00 179.45 174.64 2kkh s LYS 12 N -5.38 0.51 0.41 1.90 -2.85 -1.26 -5.04 119.74 108.04 2kkh s LYS 12 Ca -0.14 -0.36 0.14 0.00 -1.00 0.00 0.00 55.97 54.61 2kkh s LYS 12 Cb 0.07 0.22 0.85 0.00 -2.06 0.00 0.00 37.83 36.91 2kkh s LYS 12 CO 0.72 -0.13 1.90 -0.24 0.10 0.00 0.00 175.35 177.70 2kkh h VAL 13 N 4.21 1.20 -4.44 1.79 3.04 -1.95 -3.48 116.25 116.61 2kkh h VAL 13 Ca -0.31 -0.97 0.00 0.00 -1.01 0.00 0.00 66.70 64.41 2kkh h VAL 13 Cb 1.19 1.52 0.00 0.00 -2.01 0.00 0.00 31.29 32.00 2kkh h VAL 13 CO 0.40 0.28 -0.86 1.17 -1.01 0.00 0.00 177.57 177.55 2kkh n LYS 14 N -4.20 -4.83 -1.12 4.17 3.00 -1.26 -4.87 118.16 109.05 2kkh n LYS 14 Ca -0.02 3.44 0.12 0.00 -0.00 0.00 0.00 58.31 61.85 2kkh n LYS 14 Cb 0.33 -4.02 -0.04 0.00 0.00 0.00 0.00 35.03 31.29 2kkh n LYS 14 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2kkh n LYS 15 N 1.91 -2.03 -1.16 1.64 4.81 -1.26 -4.94 118.16 117.12 2kkh n LYS 15 Ca 0.00 1.52 0.13 0.00 -0.87 0.00 0.00 58.31 59.08 2kkh n LYS 15 Cb 0.00 -2.61 -0.05 0.00 0.02 0.00 0.00 35.03 32.39 2kkh n LYS 15 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2kkh n LEU 16 N -3.49 -0.64 -3.48 3.14 7.99 -1.26 -4.91 117.00 114.36 2kkh n LEU 16 Ca -0.03 1.46 -0.18 0.00 -0.01 0.00 0.00 56.01 57.26 2kkh n LEU 16 Cb 0.62 -3.42 -0.12 0.00 -0.11 0.00 0.00 43.42 40.39 2kkh n LEU 16 CO 0.02 -1.92 -0.20 -1.58 -1.51 0.00 0.00 177.39 172.20 2kkh s GLN 17 N -3.56 0.21 0.16 3.23 0.74 -0.80 -4.91 119.66 114.74 2kkh s GLN 17 Ca 0.00 0.15 -0.30 0.00 0.05 0.00 0.00 55.36 55.26 2kkh s GLN 17 Cb 0.00 -1.12 -0.07 0.00 1.10 0.00 0.00 33.01 32.92 2kkh s GLN 17 CO 0.00 -0.71 1.00 0.21 -0.55 0.00 0.00 175.29 175.24 2kkh s LYS 18 N 2.33 4.70 -0.00 1.67 2.20 -1.26 -3.82 119.74 125.56 2kkh s LYS 18 Ca 0.07 1.55 -0.02 0.00 -0.36 0.00 0.00 55.97 57.22 2kkh s LYS 18 Cb -0.16 -3.32 -0.00 0.00 -1.51 0.00 0.00 37.83 32.84 2kkh s LYS 18 CO -0.16 0.24 0.03 0.45 -0.36 0.00 0.00 175.35 175.55 2kkh s SER 19 N -0.32 0.06 -0.12 1.43 0.15 -1.19 -5.07 113.70 108.65 2kkh s SER 19 Ca 0.46 -0.14 -0.03 0.00 0.70 0.00 0.00 55.95 56.94 2kkh s SER 19 Cb -0.26 0.11 -0.03 0.00 -1.71 0.00 0.00 66.02 64.12 2kkh s SER 19 CO 0.32 -0.15 0.01 -0.31 1.20 0.00 0.00 173.24 174.32 2kkh s TYR 20 N -0.63 3.18 -0.05 3.44 2.02 -1.26 -3.34 117.35 120.71 2kkh s TYR 20 Ca -0.07 0.11 0.05 0.00 -0.37 0.00 0.00 57.07 56.79 2kkh s TYR 20 Cb -0.04 -1.88 -0.01 0.00 -0.40 0.00 0.00 41.96 39.63 2kkh s TYR 20 CO -0.00 0.34 -0.21 -0.06 -1.57 0.00 0.00 175.55 174.05 2kkh s PHE 21 N -0.45 2.07 -0.37 2.71 0.40 -0.84 -3.09 117.98 118.40 2kkh s PHE 21 Ca 0.08 -0.58 -0.07 0.00 -0.60 0.00 0.00 56.93 55.76 2kkh s PHE 21 Cb -0.12 -1.37 0.06 0.00 0.51 0.00 0.00 43.02 42.10 2kkh s PHE 21 CO 0.02 -0.17 0.17 0.34 0.70 0.00 0.00 175.22 176.28 2kkh s ASP 22 N -0.11 5.44 -0.65 1.36 -1.08 0.13 -2.11 116.67 119.64 2kkh s ASP 22 Ca -0.02 -1.33 -0.16 0.00 -0.52 0.00 0.00 52.55 50.52 2kkh s ASP 22 Cb -0.12 -1.91 0.15 0.00 -1.46 0.00 0.00 42.92 39.58 2kkh s ASP 22 CO 0.03 -0.42 0.65 0.68 0.52 0.00 0.00 175.17 176.63 2kkh s VAL 23 N 1.40 5.23 0.18 1.11 -7.23 -1.26 -1.25 120.40 118.57 2kkh s VAL 23 Ca 0.01 -1.69 -0.11 0.00 -1.81 0.00 0.00 61.98 58.39 2kkh s VAL 23 Cb -0.21 -4.43 0.08 0.00 0.56 0.00 0.00 36.38 32.38 2kkh s VAL 23 CO 0.02 -1.00 1.71 0.25 -0.31 0.00 0.00 175.10 175.77 2kkh h LEU 24 N 8.86 0.92 -3.06 1.32 5.85 -1.96 -2.90 115.31 124.34 2kkh h LEU 24 Ca -0.16 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.35 2kkh h LEU 24 Cb 1.08 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.87 2kkh h LEU 24 CO 0.97 0.88 0.00 0.61 -0.34 0.00 0.00 178.44 180.57 2kkh n GLY 25 N -0.72 1.29 3.73 3.75 0.00 -1.26 -4.79 105.19 107.20 2kkh n GLY 25 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 2kkh n GLY 25 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2kkh s ILE 26 N 0.89 5.07 -0.13 -0.61 2.07 -1.10 -4.82 121.20 122.58 2kkh s ILE 26 Ca 0.00 1.16 0.01 0.00 -1.41 0.00 0.00 60.65 60.42 2kkh s ILE 26 Cb 0.00 -3.91 -0.01 0.00 0.13 0.00 0.00 42.46 38.68 2kkh s ILE 26 CO 0.00 0.34 -0.17 0.00 -1.91 0.00 0.00 174.94 173.20 2kkh n THR 29 N -0.01 0.00 1.02 0.00 -1.04 -1.26 -4.44 114.28 108.56 2kkh n THR 29 Ca 0.00 -0.42 0.12 0.00 -2.04 0.00 0.00 64.05 61.71 2kkh n THR 29 Cb 0.00 1.13 0.57 0.00 -1.82 0.00 0.00 70.33 70.21 2kkh n THR 29 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2kkh n SER 30 N -0.10 0.00 -0.71 8.00 3.41 -1.26 -2.58 113.62 120.39 2kkh n SER 30 Ca 0.04 0.15 0.07 0.00 -0.26 0.00 0.00 58.87 58.88 2kkh n SER 30 Cb 0.21 -0.37 0.22 0.00 -0.26 0.00 0.00 64.21 64.01 2kkh n SER 30 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2kkh n GLU 31 N -1.37 1.89 -0.26 4.33 4.71 -1.26 -4.21 120.64 124.49 2kkh n GLU 31 Ca 0.09 -1.38 -0.06 0.00 -0.01 0.00 0.00 57.16 55.80 2kkh n GLU 31 Cb 0.23 -1.33 0.05 0.00 -1.01 0.00 0.00 31.44 29.37 2kkh n GLU 31 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2kkh h VAL 32 N 2.35 1.23 -0.56 2.62 2.07 -1.82 -2.33 116.25 119.81 2kkh h VAL 32 Ca 0.00 -0.67 0.02 0.00 0.82 0.00 0.00 66.70 66.87 2kkh h VAL 32 Cb 0.53 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 2kkh h VAL 32 CO 0.00 0.28 0.35 -0.65 0.02 0.00 0.00 177.57 177.57 2kkh h PRO 33 N 0.99 0.68 -0.47 1.57 0.11 -1.86 -0.90 132.00 132.12 2kkh h PRO 33 Ca 0.24 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.27 2kkh h PRO 33 Cb 0.13 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.07 2kkh h PRO 33 CO -0.03 0.45 0.12 0.82 -0.21 0.00 0.00 178.00 179.15 2kkh h ILE 34 N 0.70 1.23 -0.45 4.15 2.04 -1.81 0.57 117.51 123.94 2kkh h ILE 34 Ca 0.22 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 2kkh h ILE 34 Cb -0.01 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 2kkh h ILE 34 CO -0.08 0.29 0.21 0.40 0.00 0.00 0.00 178.15 178.97 2kkh h ILE 35 N 0.63 1.18 -0.20 -0.67 2.04 -1.09 -2.25 117.51 117.15 2kkh h ILE 35 Ca 0.15 -0.53 -0.10 0.00 1.00 0.00 0.00 64.86 65.38 2kkh h ILE 35 Cb 0.32 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 2kkh h ILE 35 CO 0.00 0.20 -0.29 -0.33 0.00 0.00 0.00 178.15 177.74 2kkh h GLU 36 N 0.58 0.40 -0.85 2.37 5.08 -1.02 -2.85 114.58 118.29 2kkh h GLU 36 Ca 0.15 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2kkh h GLU 36 Cb 0.13 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 2kkh h GLU 36 CO -0.02 0.65 0.48 -0.97 -1.00 0.00 0.00 179.01 178.15 2kkh h ASN 37 N 0.35 1.04 -0.48 1.42 -0.73 -0.43 -1.68 115.58 115.08 2kkh h ASN 37 Ca 0.05 -0.08 -0.02 0.00 1.87 0.00 0.00 56.30 58.11 2kkh h ASN 37 Cb 0.69 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.99 2kkh h ASN 37 CO 0.05 0.83 0.21 0.40 -0.37 0.00 0.00 177.43 178.55 2kkh h ILE 38 N 1.18 1.20 -0.73 2.57 2.04 -1.18 -2.48 117.51 120.11 2kkh h ILE 38 Ca 0.30 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.52 2kkh h ILE 38 Cb 0.01 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 2kkh h ILE 38 CO -0.05 0.23 0.28 -0.07 0.00 0.00 0.00 178.15 178.54 2kkh h LEU 39 N 0.63 1.00 -0.92 1.44 4.07 -1.40 -2.50 115.31 117.63 2kkh h LEU 39 Ca 0.16 -0.15 0.03 0.00 0.08 0.00 0.00 57.88 58.00 2kkh h LEU 39 Cb 0.16 -0.26 -0.05 0.00 1.08 0.00 0.00 40.66 41.59 2kkh h LEU 39 CO -0.02 0.89 0.60 0.11 -1.08 0.00 0.00 178.44 178.94 2kkh h LYS 40 N 1.06 1.13 -0.23 1.13 1.57 -0.96 -1.01 116.57 119.26 2kkh h LYS 40 Ca 0.24 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.93 2kkh h LYS 40 Cb 0.21 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2kkh h LYS 40 CO -0.02 0.75 0.01 0.66 -0.57 0.00 0.00 179.45 180.28 2kkh h SER 41 N 1.16 0.30 -3.97 0.86 4.64 -1.02 -3.42 113.55 112.11 2kkh h SER 41 Ca 0.36 -0.04 -0.49 0.00 -0.47 0.00 0.00 61.79 61.15 2kkh h SER 41 Cb -0.01 -0.08 0.03 0.00 -0.31 0.00 0.00 62.40 62.03 2kkh h SER 41 CO -0.11 0.36 0.43 -0.76 -0.87 0.00 0.00 176.83 175.88 2kkh s LEU 42 N -9.04 4.11 -0.05 5.97 1.43 -0.38 -5.04 118.68 115.67 2kkh s LEU 42 Ca -0.06 2.12 -0.03 0.00 -1.03 0.00 0.00 54.13 55.13 2kkh s LEU 42 Cb 0.16 -4.19 -0.04 0.00 0.03 0.00 0.00 46.19 42.15 2kkh s LEU 42 CO 0.73 -0.61 0.09 -1.81 0.23 0.00 0.00 176.35 174.98 2kkh s ASP 43 N -1.49 5.81 0.00 2.29 1.01 -1.26 -4.37 116.67 118.65 2kkh s ASP 43 Ca 0.59 0.24 0.00 0.00 0.71 0.00 0.00 52.55 54.09 2kkh s ASP 43 Cb -0.24 -1.73 0.00 0.00 1.01 0.00 0.00 42.92 41.96 2kkh s ASP 43 CO 0.30 0.33 0.00 0.61 0.21 0.00 0.00 175.17 176.62 2kkh n GLY 44 N 1.59 2.24 3.72 0.21 0.00 -1.26 -4.40 105.19 107.29 2kkh n GLY 44 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 2kkh n GLY 44 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kkh s VAL 45 N -2.50 3.87 -0.23 1.61 -7.23 -1.26 -3.01 120.40 111.64 2kkh s VAL 45 Ca 0.00 1.43 -0.16 0.00 -1.81 0.00 0.00 61.98 61.44 2kkh s VAL 45 Cb 0.00 -3.91 -0.11 0.00 0.56 0.00 0.00 36.38 32.92 2kkh s VAL 45 CO 0.00 0.16 -0.28 0.29 -0.31 0.00 0.00 175.10 174.96 2kkh n LYS 46 N 3.33 0.56 -3.65 4.82 4.76 0.96 -4.98 118.16 123.96 2kkh n LYS 46 Ca 0.07 0.30 -0.11 0.00 -2.87 0.00 0.00 58.31 55.70 2kkh n LYS 46 Cb 0.46 -1.52 -0.05 0.00 -1.84 0.00 0.00 35.03 32.08 2kkh n LYS 46 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2kkh s GLU 47 N -2.59 1.03 0.17 1.97 -1.05 -1.21 -5.01 118.70 112.02 2kkh s GLU 47 Ca -0.33 -0.68 -0.23 0.00 -0.15 0.00 0.00 54.97 53.58 2kkh s GLU 47 Cb 0.10 0.45 0.06 0.00 -0.44 0.00 0.00 34.13 34.30 2kkh s GLU 47 CO 0.47 -0.39 0.67 1.52 0.95 0.00 0.00 175.26 178.47 2kkh s TYR 48 N -3.62 -0.43 -0.15 4.83 -0.85 -1.26 -0.14 117.35 115.73 2kkh s TYR 48 Ca 0.02 0.17 -0.12 0.00 -0.52 0.00 0.00 57.07 56.62 2kkh s TYR 48 Cb 0.02 0.59 0.04 0.00 0.38 0.00 0.00 41.96 42.99 2kkh s TYR 48 CO -0.11 -0.91 0.38 0.45 -1.52 0.00 0.00 175.55 173.85 2kkh s SER 49 N -2.77 -0.42 -0.34 -0.18 0.15 0.09 -4.99 113.70 105.24 2kkh s SER 49 Ca 0.04 0.78 -0.14 0.00 0.70 0.00 0.00 55.95 57.33 2kkh s SER 49 Cb -0.02 0.75 -0.02 0.00 -1.71 0.00 0.00 66.02 65.03 2kkh s SER 49 CO -0.08 -0.15 0.31 -0.69 1.20 0.00 0.00 173.24 173.83 2kkh s VAL 50 N 0.57 5.22 -0.45 4.45 1.01 -1.26 -2.39 120.40 127.55 2kkh s VAL 50 Ca -0.03 -0.05 -0.07 0.00 0.00 0.00 0.00 61.98 61.83 2kkh s VAL 50 Cb -0.05 -3.77 0.12 0.00 0.00 0.00 0.00 36.38 32.68 2kkh s VAL 50 CO -0.03 -0.04 0.29 -0.63 0.00 0.00 0.00 175.10 174.69 2kkh s ILE 51 N 1.89 3.87 0.09 2.22 1.01 -0.79 -4.93 121.20 124.56 2kkh s ILE 51 Ca 0.09 -1.88 -0.13 0.00 0.00 0.00 0.00 60.65 58.73 2kkh s ILE 51 Cb -0.17 -3.58 -0.21 0.00 0.01 0.00 0.00 42.46 38.51 2kkh s ILE 51 CO 0.11 -0.74 1.23 0.58 0.00 0.00 0.00 174.94 176.12 2kkh h VAL 52 N 6.22 1.29 -0.87 2.92 2.07 -1.96 -0.51 116.25 125.41 2kkh h VAL 52 Ca -0.18 -2.20 0.16 0.00 0.82 0.00 0.00 66.70 65.30 2kkh h VAL 52 Cb 1.06 2.29 -0.07 0.00 -1.52 0.00 0.00 31.29 33.06 2kkh h VAL 52 CO 0.80 0.68 0.57 -0.65 0.02 0.00 0.00 177.57 178.99 2kkh h PRO 53 N 0.42 0.57 -0.02 1.57 0.11 -1.95 -0.85 132.00 131.85 2kkh h PRO 53 Ca -0.11 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.97 2kkh h PRO 53 Cb 1.62 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.61 2kkh h PRO 53 CO 0.19 0.37 -0.05 0.45 -0.21 0.00 0.00 178.00 178.76 2kkh n SER 54 N -4.54 2.22 -3.85 -2.05 2.88 -1.24 -4.98 113.62 102.06 2kkh n SER 54 Ca 0.17 -1.61 -0.27 0.00 -1.33 0.00 0.00 58.87 55.83 2kkh n SER 54 Cb 0.53 0.07 0.03 0.00 -0.75 0.00 0.00 64.21 64.09 2kkh n SER 54 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2kkh n ARG 55 N 0.74 -5.30 -4.15 -1.46 1.74 -0.33 -4.98 116.66 102.93 2kkh n ARG 55 Ca 0.09 0.60 -0.16 0.00 -0.77 0.00 0.00 57.85 57.61 2kkh n ARG 55 Cb 0.39 -5.37 -0.12 0.00 -1.02 0.00 0.00 32.46 26.34 2kkh n ARG 55 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2kkh s THR 56 N -3.44 0.71 -0.10 0.55 2.01 -0.32 -4.71 115.64 110.36 2kkh s THR 56 Ca 0.44 -0.95 0.04 0.00 0.31 0.00 0.00 61.69 61.53 2kkh s THR 56 Cb -0.22 -0.71 -0.00 0.00 0.01 0.00 0.00 72.50 71.58 2kkh s THR 56 CO 0.83 -0.19 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.63 2kkh s VAL 57 N -1.04 2.04 -0.12 3.82 1.01 -0.90 -1.88 120.40 123.33 2kkh s VAL 57 Ca -0.04 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 60.94 2kkh s VAL 57 Cb -0.08 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 2kkh s VAL 57 CO 0.01 0.56 -0.17 -0.51 0.00 0.00 0.00 175.10 174.99 2kkh s ILE 58 N 0.30 2.72 -0.06 2.22 2.07 -1.00 -1.98 121.20 125.46 2kkh s ILE 58 Ca -0.17 -0.78 -0.05 0.00 -1.41 0.00 0.00 60.65 58.24 2kkh s ILE 58 Cb -0.18 -2.12 0.02 0.00 0.13 0.00 0.00 42.46 40.32 2kkh s ILE 58 CO 0.08 0.53 0.16 0.54 -1.91 0.00 0.00 174.94 174.35 2kkh s VAL 59 N 0.37 -0.01 -0.18 4.00 0.11 -1.21 -0.74 120.40 122.75 2kkh s VAL 59 Ca -0.13 0.03 -0.03 0.00 -2.93 0.00 0.00 61.98 58.92 2kkh s VAL 59 Cb -0.17 -0.23 -0.02 0.00 -1.53 0.00 0.00 36.38 34.44 2kkh s VAL 59 CO 0.06 0.01 -0.06 -0.69 -3.33 0.00 0.00 175.10 171.10 2kkh s VAL 60 N 0.28 3.48 0.17 2.04 1.01 0.80 -3.16 120.40 125.02 2kkh s VAL 60 Ca -0.02 -0.48 -0.15 0.00 0.00 0.00 0.00 61.98 61.33 2kkh s VAL 60 Cb -0.03 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.84 2kkh s VAL 60 CO -0.01 0.47 0.44 -1.38 0.00 0.00 0.00 175.10 174.62 2kkh s HIS 61 N 0.82 -0.03 -0.34 5.22 -3.43 -1.25 -0.03 115.29 116.25 2kkh s HIS 61 Ca -0.02 -0.31 -0.24 0.00 -0.80 0.00 0.00 55.06 53.69 2kkh s HIS 61 Cb -0.15 0.26 0.01 0.00 -1.43 0.00 0.00 32.58 31.27 2kkh s HIS 61 CO 0.01 -0.82 0.83 0.34 -2.00 0.00 0.00 174.74 173.11 2kkh s ASP 62 N -2.87 6.64 0.66 7.38 -1.08 -1.16 -1.90 116.67 124.33 2kkh s ASP 62 Ca 0.09 0.55 0.31 0.00 -0.52 0.00 0.00 52.55 52.98 2kkh s ASP 62 Cb 0.01 -2.42 1.69 0.00 -1.46 0.00 0.00 42.92 40.73 2kkh s ASP 62 CO -0.05 -0.72 1.96 -1.28 0.52 0.00 0.00 175.17 175.60 2kkh h SER 63 N 8.33 0.00 0.10 -0.34 0.87 -1.87 0.14 113.55 120.78 2kkh h SER 63 Ca -0.24 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.31 2kkh h SER 63 Cb 1.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2kkh h SER 63 CO 0.92 0.00 -0.05 -0.07 -0.53 0.00 0.00 176.83 177.10 2kkh h LEU 64 N 0.00 -0.12 -0.48 2.23 3.38 -2.00 -3.36 115.31 114.97 2kkh h LEU 64 Ca 0.01 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 2kkh h LEU 64 Cb 0.64 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 2kkh h LEU 64 CO -0.00 0.49 0.11 -0.07 0.09 0.00 0.00 178.44 179.06 2kkh h LEU 65 N -0.98 0.73 -7.52 1.67 3.38 -1.68 -3.44 115.31 107.46 2kkh h LEU 65 Ca -0.01 -0.24 -0.18 0.00 0.09 0.00 0.00 57.88 57.54 2kkh h LEU 65 Cb 0.40 -0.19 -0.26 0.00 0.09 0.00 0.00 40.66 40.69 2kkh h LEU 65 CO 0.02 0.78 -0.49 -0.51 0.09 0.00 0.00 178.44 178.33 2kkh s ILE 66 N -5.29 -0.00 0.32 1.22 2.07 0.39 -4.93 121.20 114.98 2kkh s ILE 66 Ca -0.13 0.01 0.04 0.00 -1.41 0.00 0.00 60.65 59.17 2kkh s ILE 66 Cb 0.11 -0.29 -0.02 0.00 0.13 0.00 0.00 42.46 42.40 2kkh s ILE 66 CO 0.79 0.01 0.47 -0.94 -1.91 0.00 0.00 174.94 173.35 2kkh s SER 67 N 0.20 6.14 0.39 4.50 1.04 -1.26 -3.36 113.70 121.35 2kkh s SER 67 Ca -0.01 0.09 0.10 0.00 0.48 0.00 0.00 55.95 56.61 2kkh s SER 67 Cb -0.02 -1.65 0.88 0.00 0.10 0.00 0.00 66.02 65.33 2kkh s SER 67 CO -0.00 -0.30 1.95 -0.65 0.98 0.00 0.00 173.24 175.22 2kkh h PRO 68 N 0.91 0.57 -0.90 4.02 0.11 -1.95 -2.09 132.00 132.68 2kkh h PRO 68 Ca -0.49 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.64 2kkh h PRO 68 Cb 1.24 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 32.16 2kkh h PRO 68 CO 0.58 0.38 0.57 0.74 -0.21 0.00 0.00 178.00 180.06 2kkh h PHE 69 N 0.59 1.06 -0.56 0.65 0.04 -1.99 0.07 116.94 116.81 2kkh h PHE 69 Ca 0.32 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 61.07 2kkh h PHE 69 Cb 0.46 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 2kkh h PHE 69 CO -0.00 0.58 0.16 0.37 -0.60 0.00 0.00 178.31 178.81 2kkh h GLN 70 N 1.07 0.88 -0.40 1.51 4.15 -1.78 0.13 115.11 120.68 2kkh h GLN 70 Ca 0.38 -0.20 -0.04 0.00 0.77 0.00 0.00 58.65 59.56 2kkh h GLN 70 Cb 0.09 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 2kkh h GLN 70 CO -0.15 0.82 0.11 0.82 -1.93 0.00 0.00 178.83 178.50 2kkh h ILE 71 N 0.79 1.22 -0.53 2.39 2.04 -1.30 -0.11 117.51 122.02 2kkh h ILE 71 Ca 0.18 -0.76 -0.09 0.00 1.00 0.00 0.00 64.86 65.20 2kkh h ILE 71 Cb 0.31 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 2kkh h ILE 71 CO -0.00 0.26 -0.00 0.00 0.00 0.00 0.00 178.15 178.41 2kkh h ALA 72 N 0.96 0.71 -0.61 1.87 0.00 -0.84 -2.41 119.26 118.94 2kkh h ALA 72 Ca 0.13 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 2kkh h ALA 72 Cb 0.29 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2kkh h ALA 72 CO -0.00 0.54 0.13 -0.22 0.00 0.00 0.00 179.25 179.70 2kkh h LYS 73 N 0.81 0.96 -0.68 0.00 3.64 -0.58 -2.29 116.57 118.44 2kkh h LYS 73 Ca 0.15 -0.22 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 2kkh h LYS 73 Cb 0.53 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 2kkh h LYS 73 CO 0.03 0.87 0.24 0.00 -2.27 0.00 0.00 179.45 178.31 2kkh h ALA 74 N 1.22 1.14 -0.61 5.00 0.00 -0.79 -2.63 119.26 122.58 2kkh h ALA 74 Ca 0.19 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2kkh h ALA 74 Cb 0.35 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2kkh h ALA 74 CO 0.00 0.61 0.01 -0.07 0.00 0.00 0.00 179.25 179.80 2kkh h LEU 75 N 0.99 1.05 -2.24 0.00 3.38 -1.06 -2.59 115.31 114.85 2kkh h LEU 75 Ca 0.23 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 2kkh h LEU 75 Cb 0.24 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2kkh h LEU 75 CO -0.01 1.10 -0.02 0.78 0.09 0.00 0.00 178.44 180.37 2kkh h ASN 76 N 0.98 0.00 -1.02 -0.43 2.35 -1.06 -2.26 115.58 114.14 2kkh h ASN 76 Ca 0.18 0.00 0.24 0.00 -0.55 0.00 0.00 56.30 56.17 2kkh h ASN 76 Cb 0.55 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.81 2kkh h ASN 76 CO 0.03 0.02 0.63 -0.33 -1.65 0.00 0.00 177.43 176.13 2kkh h GLU 77 N 0.00 0.51 -0.94 0.81 5.08 -1.24 0.98 114.58 119.78 2kkh h GLU 77 Ca -0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2kkh h GLU 77 Cb 0.04 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2kkh h GLU 77 CO 0.00 0.34 0.00 0.00 -1.00 0.00 0.00 179.01 178.35 2kkh n ALA 78 N -2.39 2.37 -1.80 3.43 0.00 -0.85 -4.74 120.51 116.53 2kkh n ALA 78 Ca 0.25 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.59 2kkh n ALA 78 Cb 0.77 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.20 2kkh n ALA 78 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2kkh n ARG 79 N 0.15 -0.76 -3.01 0.00 3.00 0.33 -5.02 116.66 111.35 2kkh n ARG 79 Ca 0.00 0.65 -0.20 0.00 -0.00 0.00 0.00 57.85 58.30 2kkh n ARG 79 Cb 0.27 -4.66 0.07 0.00 0.00 0.00 0.00 32.46 28.14 2kkh n ARG 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2kkh s LEU 80 N -2.65 3.06 -0.45 6.15 1.02 -0.89 -4.90 118.68 120.02 2kkh s LEU 80 Ca 0.00 -0.85 0.06 0.00 0.02 0.00 0.00 54.13 53.36 2kkh s LEU 80 Cb 0.00 -1.57 0.22 0.00 0.02 0.00 0.00 46.19 44.85 2kkh s LEU 80 CO 0.00 -1.42 0.49 -0.62 0.02 0.00 0.00 176.35 174.82 2kkh n GLU 81 N -2.31 0.85 -2.24 1.70 -0.58 -1.26 -4.27 120.64 112.53 2kkh n GLU 81 Ca 0.16 -3.48 -0.41 0.00 -0.42 0.00 0.00 57.16 53.02 2kkh n GLU 81 Cb 0.62 -1.56 -0.03 0.00 -0.57 0.00 0.00 31.44 29.89 2kkh n GLU 81 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kkh s ALA 82 N -0.97 3.48 -0.03 0.62 0.00 -1.25 -3.79 121.76 119.82 2kkh s ALA 82 Ca 0.34 1.12 0.02 0.00 0.00 0.00 0.00 51.96 53.44 2kkh s ALA 82 Cb 0.11 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.80 2kkh s ALA 82 CO -0.13 -0.48 -0.08 -0.80 0.00 0.00 0.00 175.76 174.26 2kkh s ASN 83 N -0.36 1.19 -0.50 0.00 0.01 -0.38 -4.85 114.94 110.05 2kkh s ASN 83 Ca 0.50 -0.18 -0.22 0.00 -0.71 0.00 0.00 52.86 52.25 2kkh s ASN 83 Cb -0.37 -0.38 0.04 0.00 0.41 0.00 0.00 41.25 40.95 2kkh s ASN 83 CO 0.46 0.04 0.76 -0.69 -1.51 0.00 0.00 177.10 176.16 2kkh s VAL 84 N 0.35 4.66 -0.13 1.60 1.01 -1.26 0.18 120.40 126.81 2kkh s VAL 84 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 61.98 61.81 2kkh s VAL 84 Cb -0.10 -4.37 0.02 0.00 0.00 0.00 0.00 36.38 31.92 2kkh s VAL 84 CO 0.01 -0.87 0.19 -1.14 0.00 0.00 0.00 175.10 173.29 2kkh n ARG 85 N 6.72 -0.73 -2.48 2.72 0.63 -1.18 -4.84 116.66 117.51 2kkh n ARG 85 Ca -0.02 0.95 -0.41 0.00 -0.92 0.00 0.00 57.85 57.45 2kkh n ARG 85 Cb 0.47 -1.26 -0.04 0.00 0.45 0.00 0.00 32.46 32.09 2kkh n ARG 85 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 2kkh s VAL 86 N -1.12 3.93 -0.47 5.15 -7.23 -1.26 -4.99 120.40 114.41 2kkh s VAL 86 Ca 0.11 1.55 0.06 0.00 -1.81 0.00 0.00 61.98 61.89 2kkh s VAL 86 Cb -0.01 -3.99 0.19 0.00 0.56 0.00 0.00 36.38 33.12 2kkh s VAL 86 CO 0.25 0.21 0.56 -3.20 -0.31 0.00 0.00 175.10 172.62 2kkh n ASN 87 N 2.92 -2.00 -4.82 4.85 2.85 -1.26 -5.15 115.26 112.65 2kkh n ASN 87 Ca 0.05 -2.70 -0.30 0.00 -0.11 0.00 0.00 54.58 51.52 2kkh n ASN 87 Cb 0.46 0.67 0.08 0.00 1.24 0.00 0.00 39.78 42.23 2kkh n ASN 87 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 2kkh s GLY 88 N 0.28 1.63 0.03 8.20 0.00 -1.26 -4.99 107.32 111.21 2kkh s GLY 88 Ca 0.32 -0.22 -0.30 0.00 0.00 0.00 0.00 44.72 44.51 2kkh s GLY 88 CO -0.13 0.19 1.27 -0.54 0.00 0.00 0.00 173.10 173.89 2kkh s GLU 89 N -5.20 4.36 -0.02 2.90 2.02 -1.26 -4.96 118.70 116.54 2kkh s GLU 89 Ca 0.60 1.83 -0.01 0.00 0.02 0.00 0.00 54.97 57.41 2kkh s GLU 89 Cb -0.14 -3.44 -0.00 0.00 0.10 0.00 0.00 34.13 30.65 2kkh s GLU 89 CO 0.54 -0.40 -0.02 1.79 0.02 0.00 0.00 175.26 177.19 2kkh h THR 90 N 4.69 0.00 -2.90 3.63 1.35 -2.06 -3.50 112.91 114.12 2kkh h THR 90 Ca -0.39 -0.19 0.02 0.00 -0.55 0.00 0.00 66.41 65.29 2kkh h THR 90 Cb 1.19 0.00 -0.11 0.00 -1.73 0.00 0.00 68.15 67.50 2kkh h THR 90 CO 0.86 0.00 0.25 -0.94 -0.25 0.00 0.00 175.52 175.44 2kkh s SER 91 N -3.73 -0.48 -0.09 5.36 1.04 -1.26 -5.17 113.70 109.37 2kkh s SER 91 Ca -0.01 -0.13 -0.07 0.00 0.48 0.00 0.00 55.95 56.22 2kkh s SER 91 Cb 0.00 0.60 0.03 0.00 0.10 0.00 0.00 66.02 66.75 2kkh s SER 91 CO 0.02 -1.00 0.23 0.72 0.98 0.00 0.00 173.24 174.20 2kkh s PHE 92 N -3.70 -0.29 0.00 5.02 -0.12 -1.26 -5.09 117.98 112.54 2kkh s PHE 92 Ca 0.04 0.69 0.00 0.00 -0.05 0.00 0.00 56.93 57.61 2kkh s PHE 92 Cb -0.02 0.06 0.00 0.00 -0.63 0.00 0.00 43.02 42.43 2kkh s PHE 92 CO -0.08 -0.18 0.09 1.17 -0.05 0.00 0.00 175.22 176.17 2kkh n LYS 93 N 3.60 0.00 -2.80 1.99 3.00 -1.26 -5.03 118.16 117.66 2kkh n LYS 93 Ca -0.19 0.25 -0.00 0.00 -0.00 0.00 0.00 58.31 58.37 2kkh n LYS 93 Cb 0.56 -0.81 -0.00 0.00 0.00 0.00 0.00 35.03 34.77 2kkh n LYS 93 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2kkh n ASN 94 N -1.26 -7.13 -0.22 3.14 5.15 -1.26 -4.89 115.26 108.78 2kkh n ASN 94 Ca 0.00 1.24 -0.07 0.00 -0.60 0.00 0.00 54.58 55.15 2kkh n ASN 94 Cb 0.00 -4.60 0.03 0.00 -0.53 0.00 0.00 39.78 34.69 2kkh n ASN 94 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 2kkh h LYS 95 N 3.30 0.94 0.00 1.20 1.57 -2.09 -3.58 116.57 117.91 2kkh h LYS 95 Ca -0.05 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 2kkh h LYS 95 Cb 0.29 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2kkh h LYS 95 CO 0.07 0.80 0.00 0.91 -0.57 0.00 0.00 179.45 180.66