#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nkh s GLU 2 N 0.00 3.02 0.00 -2.82 2.02 -1.26 -2.44 118.70 117.21 1nkh s GLU 2 Ca 0.00 0.25 0.00 0.00 0.02 0.00 0.00 54.97 55.24 1nkh s GLU 2 Cb 0.00 -4.24 0.00 0.00 0.10 0.00 0.00 34.13 29.99 1nkh s GLU 2 CO 0.00 -2.30 0.00 1.28 0.02 0.00 0.00 175.26 174.26 1nkh n LEU 3 N 10.63 0.00 -4.28 1.80 4.77 -0.19 -4.99 117.00 124.74 1nkh n LEU 3 Ca 0.12 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.95 1nkh n LEU 3 Cb 0.50 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.49 1nkh n LEU 3 CO 0.71 -0.50 -0.33 0.42 -1.33 0.00 0.00 177.39 176.36 1nkh s THR 4 N -0.73 0.83 0.20 -5.08 -4.23 -1.26 -4.85 115.64 100.52 1nkh s THR 4 Ca 0.00 -2.01 -0.21 0.00 -1.18 0.00 0.00 61.69 58.30 1nkh s THR 4 Cb 0.00 -2.21 0.15 0.00 1.34 0.00 0.00 72.50 71.78 1nkh s THR 4 CO 0.00 -0.41 1.56 0.50 -0.54 0.00 0.00 174.62 175.73 1nkh h LYS 5 N 2.60 -0.07 -0.16 3.99 3.64 -1.97 0.97 116.57 125.57 1nkh h LYS 5 Ca -0.37 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 58.97 1nkh h LYS 5 Cb 1.21 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1nkh h LYS 5 CO 0.63 -0.05 -0.07 0.00 -2.27 0.00 0.00 179.45 177.70 1nkh h LYS 7 N 0.00 -0.03 -0.35 0.00 1.57 -1.84 0.27 116.57 116.20 1nkh h LYS 7 Ca 0.04 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.88 1nkh h LYS 7 Cb 0.53 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.79 1nkh h LYS 7 CO 0.02 -0.02 -0.02 0.28 -0.57 0.00 0.00 179.45 179.14 1nkh h VAL 8 N -0.03 0.72 -0.98 0.50 2.07 -0.70 0.49 116.25 118.33 1nkh h VAL 8 Ca 0.15 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.68 1nkh h VAL 8 Cb 0.26 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 30.62 1nkh h VAL 8 CO -0.34 0.01 0.64 0.28 0.02 0.00 0.00 177.57 178.19 1nkh h SER 9 N 0.07 1.07 -0.07 0.57 0.02 0.30 0.47 113.55 115.98 1nkh h SER 9 Ca 0.17 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.03 1nkh h SER 9 Cb 0.24 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1nkh h SER 9 CO -0.30 0.74 -0.25 0.45 -1.14 0.00 0.00 176.83 176.33 1nkh h HIS 10 N 1.25 0.38 -0.90 3.45 -0.00 0.60 -3.14 115.15 116.78 1nkh h HIS 10 Ca 0.38 -0.16 0.01 0.00 -0.00 0.00 0.00 60.37 60.61 1nkh h HIS 10 Cb -0.02 -0.06 -0.04 0.00 -0.00 0.00 0.00 27.41 27.28 1nkh h HIS 10 CO -0.00 0.87 0.59 0.00 -0.00 0.00 0.00 177.93 179.39 1nkh h ALA 11 N 0.44 1.14 0.00 2.45 0.00 0.26 -3.00 119.26 120.55 1nkh h ALA 11 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1nkh h ALA 11 Cb 0.88 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1nkh h ALA 11 CO 0.05 0.53 0.00 -0.89 0.00 0.00 0.00 179.25 178.94 1nkh n ILE 12 N -4.46 0.12 -0.16 0.00 2.08 0.13 -4.61 119.36 112.46 1nkh n ILE 12 Ca 0.10 0.03 -0.00 0.00 0.56 0.00 0.00 62.75 63.44 1nkh n ILE 12 Cb 0.02 -0.59 0.02 0.00 -0.75 0.00 0.00 39.64 38.34 1nkh n ILE 12 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1nkh n LYS 13 N -1.26 -0.09 0.00 0.38 4.76 -1.13 -1.17 118.16 119.64 1nkh n LYS 13 Ca 0.13 0.63 0.03 0.00 -2.87 0.00 0.00 58.31 56.23 1nkh n LYS 13 Cb 0.20 -0.93 0.13 0.00 -1.84 0.00 0.00 35.03 32.59 1nkh n LYS 13 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1nkh n ASP 14 N -4.60 0.00 -0.13 4.39 8.00 -1.26 -2.36 116.55 120.58 1nkh n ASP 14 Ca 0.04 0.45 0.12 0.00 0.71 0.00 0.00 54.79 56.11 1nkh n ASP 14 Cb 0.17 -0.47 0.18 0.00 -0.02 0.00 0.00 41.12 40.98 1nkh n ASP 14 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nkh n ILE 15 N -1.47 0.00 -1.65 0.53 3.06 -0.32 -4.91 119.36 114.61 1nkh n ILE 15 Ca 0.02 -0.07 -0.49 0.00 -2.50 0.00 0.00 62.75 59.71 1nkh n ILE 15 Cb 0.07 0.56 -0.05 0.00 0.54 0.00 0.00 39.64 40.76 1nkh n ILE 15 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1nkh n ASP 16 N -1.08 2.70 0.00 9.51 -0.08 -0.99 -2.09 116.55 124.51 1nkh n ASP 16 Ca 0.08 1.08 0.00 0.00 -1.51 0.00 0.00 54.79 54.43 1nkh n ASP 16 Cb 0.35 -1.34 0.00 0.00 2.34 0.00 0.00 41.12 42.48 1nkh n ASP 16 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1nkh n GLY 17 N 3.34 2.76 3.67 0.27 0.00 0.11 -4.96 105.19 110.38 1nkh n GLY 17 Ca 0.19 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.72 1nkh n GLY 17 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1nkh n TYR 18 N -1.93 2.17 -1.84 1.61 9.36 -0.89 0.11 117.16 125.75 1nkh n TYR 18 Ca 0.00 0.25 -0.21 0.00 3.32 0.00 0.00 57.90 61.26 1nkh n TYR 18 Cb 0.00 -2.55 -0.07 0.00 -0.63 0.00 0.00 39.34 36.10 1nkh n TYR 18 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 1nkh n GLN 19 N 4.51 -1.53 -1.01 2.98 -0.06 -1.26 -2.53 117.38 118.48 1nkh n GLN 19 Ca 0.20 1.17 -0.00 0.00 -2.00 0.00 0.00 57.00 56.36 1nkh n GLN 19 Cb 0.26 -5.64 -0.00 0.00 -4.06 0.00 0.00 30.24 20.80 1nkh n GLN 19 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1nkh n GLY 20 N -0.58 0.45 3.72 1.69 0.00 0.30 -5.01 105.19 105.77 1nkh n GLY 20 Ca -0.22 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 1nkh n GLY 20 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nkh s ILE 21 N -1.89 5.39 0.84 -0.61 -1.09 -1.05 -4.87 121.20 117.92 1nkh s ILE 21 Ca 0.00 0.23 -0.08 0.00 -2.23 0.00 0.00 60.65 58.57 1nkh s ILE 21 Cb 0.00 -3.49 0.17 0.00 -1.58 0.00 0.00 42.46 37.56 1nkh s ILE 21 CO 0.00 0.42 1.16 -0.94 -1.23 0.00 0.00 174.94 174.35 1nkh s SER 22 N 0.45 3.70 0.35 3.58 1.04 -1.26 0.07 113.70 121.62 1nkh s SER 22 Ca 0.09 -0.15 0.17 0.00 0.48 0.00 0.00 55.95 56.55 1nkh s SER 22 Cb -0.11 -0.04 0.53 0.00 0.10 0.00 0.00 66.02 66.50 1nkh s SER 22 CO -0.01 -2.32 1.66 -0.07 0.98 0.00 0.00 173.24 173.49 1nkh h LEU 23 N -1.07 0.00 -0.00 2.42 3.38 -1.95 -2.38 115.31 115.71 1nkh h LEU 23 Ca -0.39 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.58 1nkh h LEU 23 Cb 1.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 1nkh h LEU 23 CO 0.37 0.43 0.00 -0.07 0.09 0.00 0.00 178.44 179.26 1nkh h LEU 24 N 0.00 0.00 -0.99 1.67 3.38 -1.91 0.03 115.31 117.49 1nkh h LEU 24 Ca -0.00 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1nkh h LEU 24 Cb 1.02 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1nkh h LEU 24 CO 0.06 0.12 0.02 -0.33 0.09 0.00 0.00 178.44 178.40 1nkh h GLU 25 N -0.11 0.75 -0.36 1.13 5.08 -1.89 -2.07 114.58 117.11 1nkh h GLU 25 Ca 0.00 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.11 1nkh h GLU 25 Cb 0.11 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1nkh h GLU 25 CO -0.00 0.75 -0.03 -1.49 -1.00 0.00 0.00 179.01 177.24 1nkh h TRP 26 N 0.71 0.72 -0.52 4.33 -0.00 -1.15 0.36 115.95 120.40 1nkh h TRP 26 Ca 0.14 -0.14 0.01 0.00 -0.00 0.00 0.00 58.89 58.91 1nkh h TRP 26 Cb 0.40 -0.18 -0.03 0.00 -0.00 0.00 0.00 29.16 29.35 1nkh h TRP 26 CO 0.02 0.77 0.34 0.00 -0.00 0.00 0.00 178.44 179.57 1nkh h ALA 27 N 0.85 0.66 -0.09 1.49 0.00 -0.86 0.27 119.26 121.58 1nkh h ALA 27 Ca 0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1nkh h ALA 27 Cb 0.51 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1nkh h ALA 27 CO 0.02 0.09 0.06 0.00 0.00 0.00 0.00 179.25 179.42 1nkh h VAL 29 N 0.10 1.26 -0.05 0.00 2.07 0.20 -2.95 116.25 116.88 1nkh h VAL 29 Ca 0.03 -0.94 -0.11 0.00 0.82 0.00 0.00 66.70 66.50 1nkh h VAL 29 Cb 0.02 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1nkh h VAL 29 CO -0.01 0.36 -0.47 -0.07 0.02 0.00 0.00 177.57 177.40 1nkh h LEU 30 N 0.98 0.13 0.06 2.57 3.38 -0.34 0.85 115.31 122.93 1nkh h LEU 30 Ca 0.21 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1nkh h LEU 30 Cb 0.36 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1nkh h LEU 30 CO 0.00 0.58 -0.03 0.15 0.09 0.00 0.00 178.44 179.24 1nkh h PHE 31 N 0.10 -0.07 0.00 1.13 3.57 -1.19 0.94 116.94 121.41 1nkh h PHE 31 Ca 0.00 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 1nkh h PHE 31 Cb 0.87 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 1nkh h PHE 31 CO 0.01 0.14 -0.25 0.45 -2.23 0.00 0.00 178.31 176.42 1nkh h HIS 32 N -0.28 0.00 0.01 0.41 3.86 -1.40 -0.17 115.15 117.58 1nkh h HIS 32 Ca -0.01 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 1nkh h HIS 32 Cb 0.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.71 1nkh h HIS 32 CO -0.01 0.25 -0.07 1.15 0.86 0.00 0.00 177.93 180.11 1nkh h THR 33 N 0.00 1.74 0.00 2.45 2.02 -0.57 -3.43 112.91 115.13 1nkh h THR 33 Ca -0.00 -2.28 0.00 0.00 0.77 0.00 0.00 66.41 64.90 1nkh h THR 33 Cb 0.80 3.29 0.00 0.00 -1.74 0.00 0.00 68.15 70.50 1nkh h THR 33 CO 0.03 0.60 0.00 -1.54 0.37 0.00 0.00 175.52 174.98 1nkh n SER 34 N -4.58 0.33 -0.43 4.18 3.41 0.28 -4.91 113.62 111.90 1nkh n SER 34 Ca -0.10 -0.80 -0.06 0.00 -0.26 0.00 0.00 58.87 57.65 1nkh n SER 34 Cb 0.50 0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.54 1nkh n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nkh n GLY 35 N 0.12 0.76 2.23 5.00 0.00 -0.08 -1.99 105.19 111.22 1nkh n GLY 35 Ca 0.00 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 1nkh n GLY 35 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1nkh n TYR 36 N -2.62 -0.37 -3.49 1.61 4.01 -1.21 -4.73 117.16 110.36 1nkh n TYR 36 Ca -0.06 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.26 1nkh n TYR 36 Cb 0.30 -2.36 -0.10 0.00 -0.31 0.00 0.00 39.34 36.86 1nkh n TYR 36 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1nkh s ASP 37 N -2.62 6.04 0.18 7.72 2.15 -0.84 -1.02 116.67 128.28 1nkh s ASP 37 Ca 0.00 -0.82 0.16 0.00 0.43 0.00 0.00 52.55 52.32 1nkh s ASP 37 Cb 0.00 -2.13 0.78 0.00 -0.30 0.00 0.00 42.92 41.26 1nkh s ASP 37 CO 0.00 -0.40 1.49 0.35 -0.17 0.00 0.00 175.17 176.45 1nkh n THR 38 N 5.13 1.20 -0.09 1.71 -2.24 -1.02 -1.38 114.28 117.58 1nkh n THR 38 Ca -0.11 0.48 0.07 0.00 -2.27 0.00 0.00 64.05 62.21 1nkh n THR 38 Cb 0.47 -1.43 0.17 0.00 -2.10 0.00 0.00 70.33 67.45 1nkh n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nkh n GLN 39 N -1.97 2.54 -1.66 -0.78 6.02 -1.26 -4.04 117.38 116.23 1nkh n GLN 39 Ca 0.01 -2.05 -0.47 0.00 -0.01 0.00 0.00 57.00 54.47 1nkh n GLN 39 Cb 0.10 -1.32 -0.05 0.00 1.02 0.00 0.00 30.24 29.99 1nkh n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nkh n ALA 40 N 0.76 0.93 -3.83 -1.58 0.00 -0.48 -4.71 120.51 111.60 1nkh n ALA 40 Ca 0.13 0.43 -0.26 0.00 0.00 0.00 0.00 53.44 53.75 1nkh n ALA 40 Cb 0.45 -2.33 -0.17 0.00 0.00 0.00 0.00 19.45 17.40 1nkh n ALA 40 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nkh s VAL 41 N 1.32 0.75 -0.07 0.00 1.01 -1.26 -0.45 120.40 121.70 1nkh s VAL 41 Ca 0.82 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 62.58 1nkh s VAL 41 Cb -0.73 -0.91 0.01 0.00 0.00 0.00 0.00 36.38 34.76 1nkh s VAL 41 CO 0.42 0.21 -0.12 -0.69 0.00 0.00 0.00 175.10 174.92 1nkh s VAL 42 N 1.81 1.11 0.43 2.92 1.01 -0.81 -4.98 120.40 121.88 1nkh s VAL 42 Ca 0.03 -0.45 -0.16 0.00 0.00 0.00 0.00 61.98 61.40 1nkh s VAL 42 Cb -0.13 -1.03 -0.09 0.00 0.00 0.00 0.00 36.38 35.13 1nkh s VAL 42 CO -0.07 0.35 0.88 0.20 0.00 0.00 0.00 175.10 176.46 1nkh s ASN 43 N 0.76 6.73 -0.31 3.32 0.01 -1.26 -1.36 114.94 122.82 1nkh s ASN 43 Ca -0.13 1.46 0.03 0.00 -0.71 0.00 0.00 52.86 53.51 1nkh s ASN 43 Cb -0.15 -2.45 0.16 0.00 0.41 0.00 0.00 41.25 39.22 1nkh s ASN 43 CO 0.03 -0.40 0.43 -0.62 -1.51 0.00 0.00 177.10 175.03 1nkh s ASP 44 N -2.65 0.24 -1.00 -1.22 -1.08 -0.60 -4.94 116.67 105.42 1nkh s ASP 44 Ca 0.57 -0.60 -0.16 0.00 -0.52 0.00 0.00 52.55 51.85 1nkh s ASP 44 Cb -0.10 1.14 0.02 0.00 -1.46 0.00 0.00 42.92 42.52 1nkh s ASP 44 CO 0.23 -0.32 0.65 0.59 0.52 0.00 0.00 175.17 176.84 1nkh n ASN 45 N 5.08 -4.68 0.00 -0.34 3.02 -1.26 -1.81 115.26 115.27 1nkh n ASN 45 Ca 0.04 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.50 1nkh n ASN 45 Cb 0.50 -1.88 0.00 0.00 -0.61 0.00 0.00 39.78 37.79 1nkh n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nkh n GLY 46 N -1.84 1.23 3.61 7.41 0.00 -1.26 -5.01 105.19 109.33 1nkh n GLY 46 Ca -0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 1nkh n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nkh s SER 47 N -3.09 3.39 -0.02 1.61 1.04 -0.75 -5.06 113.70 110.83 1nkh s SER 47 Ca 0.00 -1.55 0.01 0.00 0.48 0.00 0.00 55.95 54.88 1nkh s SER 47 Cb 0.00 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.36 1nkh s SER 47 CO 0.00 -0.75 -0.02 -0.89 0.98 0.00 0.00 173.24 172.56 1nkh s THR 48 N -3.01 0.27 -0.08 2.02 2.01 -1.26 -1.55 115.64 114.03 1nkh s THR 48 Ca 0.22 -0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.15 1nkh s THR 48 Cb 0.05 -0.28 -0.03 0.00 0.01 0.00 0.00 72.50 72.24 1nkh s THR 48 CO 0.11 0.12 -0.02 -1.61 -0.69 0.00 0.00 174.62 172.53 1nkh s GLU 49 N 0.41 2.94 0.06 4.92 2.02 -0.47 -0.94 118.70 127.64 1nkh s GLU 49 Ca -0.04 -0.45 0.08 0.00 0.02 0.00 0.00 54.97 54.59 1nkh s GLU 49 Cb -0.07 -2.74 -0.03 0.00 0.10 0.00 0.00 34.13 31.38 1nkh s GLU 49 CO -0.01 0.68 -0.22 0.71 0.02 0.00 0.00 175.26 176.45 1nkh s TYR 50 N -0.83 2.45 0.00 1.61 1.51 0.12 -1.92 117.35 120.29 1nkh s TYR 50 Ca 0.13 -0.32 0.00 0.00 -1.01 0.00 0.00 57.07 55.86 1nkh s TYR 50 Cb -0.11 -1.41 0.00 0.00 -0.11 0.00 0.00 41.96 40.33 1nkh s TYR 50 CO 0.02 0.23 0.00 0.41 -1.11 0.00 0.00 175.55 175.10 1nkh n GLY 51 N 1.51 -0.13 0.29 0.71 0.00 0.40 -1.43 105.19 106.54 1nkh n GLY 51 Ca -0.17 -0.90 0.09 0.00 0.00 0.00 0.00 46.02 45.04 1nkh n GLY 51 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1nkh h LEU 52 N 0.00 -0.09 -0.16 0.99 5.85 -1.72 -0.99 115.31 119.20 1nkh h LEU 52 Ca 0.00 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1nkh h LEU 52 Cb 0.00 0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1nkh h LEU 52 CO 0.00 -0.12 -0.30 0.49 -0.34 0.00 0.00 178.44 178.16 1nkh n PHE 53 N -5.24 0.00 -3.58 1.25 3.72 -1.26 -4.25 117.46 108.10 1nkh n PHE 53 Ca 0.17 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.31 1nkh n PHE 53 Cb 0.56 -0.24 0.04 0.00 -0.94 0.00 0.00 39.48 38.90 1nkh n PHE 53 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1nkh n GLN 54 N -1.20 -1.35 -2.92 -1.08 1.13 -0.38 -4.92 117.38 106.66 1nkh n GLN 54 Ca 0.09 0.64 -0.41 0.00 -1.94 0.00 0.00 57.00 55.38 1nkh n GLN 54 Cb 0.33 -4.30 -0.04 0.00 0.11 0.00 0.00 30.24 26.33 1nkh n GLN 54 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1nkh s ILE 55 N -3.36 4.96 0.30 5.09 1.01 -0.73 -4.46 121.20 124.01 1nkh s ILE 55 Ca 0.38 1.66 -0.27 0.00 0.00 0.00 0.00 60.65 62.41 1nkh s ILE 55 Cb -0.13 -4.14 -0.10 0.00 0.01 0.00 0.00 42.46 38.11 1nkh s ILE 55 CO 0.84 0.18 0.97 -0.55 0.00 0.00 0.00 174.94 176.38 1nkh s SER 56 N 0.93 7.37 0.00 3.58 0.15 -1.26 0.14 113.70 124.61 1nkh s SER 56 Ca 0.42 1.93 0.29 0.00 0.70 0.00 0.00 55.95 59.28 1nkh s SER 56 Cb -0.18 -2.59 1.20 0.00 -1.71 0.00 0.00 66.02 62.74 1nkh s SER 56 CO 0.20 -0.05 1.84 -0.90 1.20 0.00 0.00 173.24 175.53 1nkh n ASP 57 N 0.83 0.56 0.04 5.45 5.75 -0.12 -2.41 116.55 126.65 1nkh n ASP 57 Ca 0.01 -0.68 -0.01 0.00 -0.01 0.00 0.00 54.79 54.10 1nkh n ASP 57 Cb 0.49 -0.05 0.28 0.00 -1.03 0.00 0.00 41.12 40.81 1nkh n ASP 57 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 1nkh h ARG 58 N 0.71 0.43 0.00 0.11 2.43 -1.83 -3.41 114.38 112.82 1nkh h ARG 58 Ca 0.00 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1nkh h ARG 58 Cb 0.36 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1nkh h ARG 58 CO 0.00 0.57 0.00 1.19 -1.51 0.00 0.00 179.97 180.22 1nkh n PHE 59 N -4.21 0.00 -0.03 2.20 3.72 -1.25 -4.30 117.46 113.60 1nkh n PHE 59 Ca 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.40 1nkh n PHE 59 Cb 0.32 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.73 1nkh n PHE 59 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 1nkh n TRP 60 N -0.22 0.35 -3.95 1.38 7.02 -1.01 -0.57 117.44 120.44 1nkh n TRP 60 Ca 0.00 0.11 -0.09 0.00 -1.02 0.00 0.00 57.50 56.51 1nkh n TRP 60 Cb 0.00 -0.89 -0.09 0.00 -2.42 0.00 0.00 31.31 27.91 1nkh n TRP 60 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1nkh s LYS 62 N -3.13 4.37 0.06 0.00 2.20 -0.01 -4.58 119.74 118.66 1nkh s LYS 62 Ca -0.01 0.66 0.05 0.00 -0.36 0.00 0.00 55.97 56.32 1nkh s LYS 62 Cb 0.02 -3.42 -0.03 0.00 -1.51 0.00 0.00 37.83 32.89 1nkh s LYS 62 CO -0.07 0.17 -0.14 -1.54 -0.36 0.00 0.00 175.35 173.41 1nkh s SER 63 N 0.51 1.66 0.59 1.43 1.04 -1.26 0.03 113.70 117.69 1nkh s SER 63 Ca 0.31 -0.58 0.28 0.00 0.48 0.00 0.00 55.95 56.44 1nkh s SER 63 Cb -0.17 -0.06 1.71 0.00 0.10 0.00 0.00 66.02 67.61 1nkh s SER 63 CO 0.15 -0.06 2.18 0.28 0.98 0.00 0.00 173.24 176.76 1nkh h SER 64 N 4.42 0.00 0.00 7.02 0.02 -2.01 -3.13 113.55 119.87 1nkh h SER 64 Ca -0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1nkh h SER 64 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1nkh h SER 64 CO 0.41 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.48 1nkh n GLU 65 N -3.87 0.00 -3.75 3.45 1.02 -1.26 -4.47 120.64 111.76 1nkh n GLU 65 Ca -0.01 0.02 -0.36 0.00 -0.02 0.00 0.00 57.16 56.79 1nkh n GLU 65 Cb 0.20 -0.61 -0.11 0.00 -0.02 0.00 0.00 31.44 30.90 1nkh n GLU 65 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1nkh s PHE 66 N -0.22 3.54 -0.07 -0.32 -0.00 -1.19 -4.95 117.98 114.77 1nkh s PHE 66 Ca 0.00 -2.47 0.26 0.00 -0.00 0.00 0.00 56.93 54.72 1nkh s PHE 66 Cb 0.00 -3.23 1.37 0.00 -0.00 0.00 0.00 43.02 41.16 1nkh s PHE 66 CO 0.00 -0.94 1.79 -1.35 -0.00 0.00 0.00 175.22 174.72 1nkh h PRO 67 N 7.81 0.00 0.00 1.99 0.11 -1.77 -2.89 132.00 137.25 1nkh h PRO 67 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1nkh h PRO 67 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1nkh h PRO 67 CO 0.71 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.65 1nkh n GLU 68 N -2.41 0.17 -1.51 1.05 0.00 -1.26 -4.84 120.64 111.84 1nkh n GLU 68 Ca -0.01 0.43 -0.46 0.00 0.00 0.00 0.00 57.16 57.12 1nkh n GLU 68 Cb 0.06 -1.85 -0.02 0.00 0.00 0.00 0.00 31.44 29.63 1nkh n GLU 68 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1nkh n SER 69 N -2.18 0.25 0.08 -1.84 2.88 -1.09 -4.79 113.62 106.93 1nkh n SER 69 Ca 0.02 1.15 0.07 0.00 -1.33 0.00 0.00 58.87 58.77 1nkh n SER 69 Cb 0.21 -1.15 0.33 0.00 -0.75 0.00 0.00 64.21 62.84 1nkh n SER 69 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1nkh n GLU 70 N 0.82 0.08 -4.05 -1.46 4.71 -1.26 -4.84 120.64 114.63 1nkh n GLU 70 Ca 0.13 0.52 -0.36 0.00 -0.01 0.00 0.00 57.16 57.44 1nkh n GLU 70 Cb 0.30 -1.73 -0.02 0.00 -1.01 0.00 0.00 31.44 28.97 1nkh n GLU 70 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1nkh n ASN 71 N -1.90 -1.95 -0.33 1.62 4.05 -1.06 -4.80 115.26 110.90 1nkh n ASN 71 Ca -0.00 -1.12 0.09 0.00 0.45 0.00 0.00 54.58 53.99 1nkh n ASN 71 Cb 0.06 -1.36 0.29 0.00 1.23 0.00 0.00 39.78 39.99 1nkh n ASN 71 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1nkh h ILE 72 N -1.70 0.90 0.00 -1.44 2.04 -0.77 0.19 117.51 116.72 1nkh h ILE 72 Ca -0.60 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 64.95 1nkh h ILE 72 Cb 1.21 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1nkh h ILE 72 CO 0.51 0.16 0.00 0.00 0.00 0.00 0.00 178.15 178.82 1nkh n GLY 74 N 1.22 -0.43 3.11 0.00 0.00 0.66 -4.97 105.19 104.77 1nkh n GLY 74 Ca 0.06 0.16 -0.08 0.00 0.00 0.00 0.00 46.02 46.16 1nkh n GLY 74 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1nkh s ILE 75 N -3.35 0.16 -0.06 -0.61 -4.36 -1.26 -5.04 121.20 106.69 1nkh s ILE 75 Ca 0.23 -1.34 -0.30 0.00 -0.26 0.00 0.00 60.65 58.99 1nkh s ILE 75 Cb -0.10 -1.12 -0.02 0.00 1.25 0.00 0.00 42.46 42.47 1nkh s ILE 75 CO 0.73 -0.74 0.99 -0.55 0.24 0.00 0.00 174.94 175.62 1nkh s SER 76 N -2.45 7.30 0.41 4.36 0.15 -1.26 -0.83 113.70 121.38 1nkh s SER 76 Ca -0.00 1.59 0.22 0.00 0.70 0.00 0.00 55.95 58.46 1nkh s SER 76 Cb 0.02 -2.56 1.22 0.00 -1.71 0.00 0.00 66.02 62.99 1nkh s SER 76 CO -0.07 -0.36 1.71 0.00 1.20 0.00 0.00 173.24 175.72 1nkh h ASP 78 N 0.27 0.00 0.11 0.00 3.32 -1.92 -0.64 116.42 117.56 1nkh h ASP 78 Ca 0.69 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.74 1nkh h ASP 78 Cb 1.91 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.46 1nkh h ASP 78 CO -0.37 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.44 1nkh n LYS 79 N -3.74 0.63 -0.41 3.56 4.01 0.85 -1.76 118.16 121.31 1nkh n LYS 79 Ca -0.00 0.02 0.09 0.00 -0.51 0.00 0.00 58.31 57.91 1nkh n LYS 79 Cb 0.23 -1.50 0.28 0.00 -0.51 0.00 0.00 35.03 33.53 1nkh n LYS 79 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1nkh n LEU 80 N -1.07 3.94 -0.46 -0.35 4.77 -0.25 -4.17 117.00 119.41 1nkh n LEU 80 Ca 0.16 -2.24 0.04 0.00 -0.03 0.00 0.00 56.01 53.94 1nkh n LEU 80 Cb 0.11 -0.45 0.11 0.00 -2.33 0.00 0.00 43.42 40.86 1nkh n LEU 80 CO 0.14 0.83 0.60 0.18 -1.33 0.00 0.00 177.39 177.81 1nkh n LEU 81 N 0.97 2.70 0.00 2.23 4.77 -0.72 -3.22 117.00 123.73 1nkh n LEU 81 Ca 0.21 -2.05 -0.11 0.00 -0.03 0.00 0.00 56.01 54.03 1nkh n LEU 81 Cb 0.68 -0.18 0.01 0.00 -2.33 0.00 0.00 43.42 41.60 1nkh n LEU 81 CO 0.17 0.67 0.05 -0.90 -1.33 0.00 0.00 177.39 176.04 1nkh n ASP 82 N 0.18 1.65 -0.99 -1.43 5.68 -1.26 -4.54 116.55 115.83 1nkh n ASP 82 Ca 0.09 -1.82 0.10 0.00 -0.50 0.00 0.00 54.79 52.66 1nkh n ASP 82 Cb 0.40 -0.04 0.27 0.00 -1.14 0.00 0.00 41.12 40.60 1nkh n ASP 82 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1nkh n ASP 83 N -2.05 2.92 -4.48 -1.12 9.92 -1.26 -4.77 116.55 115.72 1nkh n ASP 83 Ca 0.00 -1.94 -0.43 0.00 -0.53 0.00 0.00 54.79 51.89 1nkh n ASP 83 Cb 0.28 -0.29 -0.09 0.00 -0.64 0.00 0.00 41.12 40.38 1nkh n ASP 83 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1nkh s GLU 84 N -1.42 3.06 0.00 -1.24 2.02 -1.26 -4.95 118.70 114.91 1nkh s GLU 84 Ca 0.37 -0.85 0.28 0.00 0.02 0.00 0.00 54.97 54.79 1nkh s GLU 84 Cb 0.20 -3.97 1.03 0.00 0.10 0.00 0.00 34.13 31.49 1nkh s GLU 84 CO 0.28 -0.81 1.74 1.28 0.02 0.00 0.00 175.26 177.76 1nkh n LEU 85 N 5.44 0.61 -0.20 1.80 4.32 -1.26 -4.37 117.00 123.35 1nkh n LEU 85 Ca -0.09 -0.04 0.01 0.00 -0.02 0.00 0.00 56.01 55.86 1nkh n LEU 85 Cb 0.47 -0.19 0.11 0.00 -1.62 0.00 0.00 43.42 42.19 1nkh n LEU 85 CO 0.44 0.12 0.91 0.44 -1.22 0.00 0.00 177.39 178.08 1nkh h ASP 86 N 0.67 -0.01 0.57 -1.43 5.19 -1.93 0.30 116.42 119.79 1nkh h ASP 86 Ca 0.00 0.11 -0.16 0.00 -0.62 0.00 0.00 57.03 56.36 1nkh h ASP 86 Cb 0.42 0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.07 1nkh h ASP 86 CO 0.00 0.00 -0.73 -2.24 -3.12 0.00 0.00 179.24 173.16 1nkh h ASP 87 N 0.25 0.15 -0.03 6.45 3.04 -1.93 -0.32 116.42 124.04 1nkh h ASP 87 Ca 0.31 -0.11 -0.00 0.00 -3.24 0.00 0.00 57.03 54.00 1nkh h ASP 87 Cb 0.46 -0.05 -0.00 0.00 -1.04 0.00 0.00 39.33 38.71 1nkh h ASP 87 CO -0.40 0.82 0.02 0.44 -2.04 0.00 0.00 179.24 178.08 1nkh h ASP 88 N 0.08 0.04 -0.90 4.15 3.45 -1.51 0.29 116.42 122.02 1nkh h ASP 88 Ca -0.02 -0.05 -0.02 0.00 0.43 0.00 0.00 57.03 57.37 1nkh h ASP 88 Cb 1.28 -0.01 -0.04 0.00 -0.56 0.00 0.00 39.33 40.00 1nkh h ASP 88 CO 0.10 0.08 0.49 0.40 -1.57 0.00 0.00 179.24 178.74 1nkh h ILE 89 N -0.01 1.26 -0.62 0.35 2.04 -0.36 0.20 117.51 120.37 1nkh h ILE 89 Ca 0.01 -0.65 -0.04 0.00 1.00 0.00 0.00 64.86 65.18 1nkh h ILE 89 Cb 0.05 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.15 1nkh h ILE 89 CO -0.00 0.30 0.23 0.00 0.00 0.00 0.00 178.15 178.68 1nkh h ALA 90 N 1.27 0.81 -0.39 1.87 0.00 -0.63 -0.81 119.26 121.38 1nkh h ALA 90 Ca 0.32 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1nkh h ALA 90 Cb 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1nkh h ALA 90 CO -0.05 0.44 -0.34 0.00 0.00 0.00 0.00 179.25 179.30 1nkh h ALA 92 N 0.78 1.56 -0.79 0.00 0.00 -0.32 -0.95 119.26 119.55 1nkh h ALA 92 Ca 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1nkh h ALA 92 Cb 0.93 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1nkh h ALA 92 CO 0.09 0.33 0.42 0.87 0.00 0.00 0.00 179.25 180.97 1nkh h LYS 93 N 0.93 1.11 -0.35 0.00 1.57 -0.79 -0.97 116.57 118.07 1nkh h LYS 93 Ca 0.33 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1nkh h LYS 93 Cb 0.13 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1nkh h LYS 93 CO -0.11 0.83 0.10 0.87 -0.57 0.00 0.00 179.45 180.57 1nkh h LYS 94 N 1.10 0.55 -0.72 3.15 1.57 -0.87 -1.71 116.57 119.65 1nkh h LYS 94 Ca 0.28 -0.13 0.08 0.00 -1.87 0.00 0.00 60.65 59.02 1nkh h LYS 94 Cb 0.05 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.21 1nkh h LYS 94 CO -0.04 0.59 0.37 0.82 -0.57 0.00 0.00 179.45 180.62 1nkh h ILE 95 N 0.41 0.89 -0.57 1.86 2.04 -0.88 -0.09 117.51 121.17 1nkh h ILE 95 Ca 0.11 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1nkh h ILE 95 Cb 0.28 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 1nkh h ILE 95 CO -0.00 0.12 0.32 -0.07 0.00 0.00 0.00 178.15 178.52 1nkh h LEU 96 N 0.65 0.71 -0.81 1.44 3.38 -0.90 0.42 115.31 120.20 1nkh h LEU 96 Ca 0.34 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 58.10 1nkh h LEU 96 Cb 0.32 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1nkh h LEU 96 CO -0.24 0.59 -0.59 0.00 0.09 0.00 0.00 178.44 178.28 1nkh h ALA 97 N 1.15 1.01 0.00 1.53 0.00 -0.57 -2.43 119.26 119.95 1nkh h ALA 97 Ca 0.20 -0.54 -0.13 0.00 0.00 0.00 0.00 54.91 54.44 1nkh h ALA 97 Cb 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1nkh h ALA 97 CO -0.03 0.74 -1.17 -0.89 0.00 0.00 0.00 179.25 177.90 1nkh n ILE 98 N -3.84 1.48 -0.05 0.00 5.41 -0.12 -4.72 119.36 117.52 1nkh n ILE 98 Ca -0.01 0.04 -0.03 0.00 1.00 0.00 0.00 62.75 63.74 1nkh n ILE 98 Cb 0.59 -2.22 -0.15 0.00 -0.71 0.00 0.00 39.64 37.16 1nkh n ILE 98 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1nkh n LYS 99 N -4.47 0.67 0.00 0.38 4.81 0.13 -5.09 118.16 114.59 1nkh n LYS 99 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.22 1nkh n LYS 99 Cb 0.53 -1.58 0.00 0.00 0.02 0.00 0.00 35.03 34.00 1nkh n LYS 99 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nkh n GLY 100 N 1.57 0.09 0.31 3.14 0.00 -0.07 -4.57 105.19 105.65 1nkh n GLY 100 Ca -0.22 -1.92 0.15 0.00 0.00 0.00 0.00 46.02 44.04 1nkh n GLY 100 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1nkh h ILE 101 N 0.00 0.53 0.00 -0.61 6.09 -1.86 -2.69 117.51 118.98 1nkh h ILE 101 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1nkh h ILE 101 Cb 0.00 0.96 0.00 0.00 0.47 0.00 0.00 36.82 38.25 1nkh h ILE 101 CO 0.00 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 175.55 1nkh n ASP 102 N -3.87 0.00 -0.15 2.19 10.43 -1.26 -1.68 116.55 122.21 1nkh n ASP 102 Ca -0.02 -0.89 -0.10 0.00 2.57 0.00 0.00 54.79 56.35 1nkh n ASP 102 Cb 0.15 0.00 -0.01 0.00 1.84 0.00 0.00 41.12 43.10 1nkh n ASP 102 CO 0.00 0.00 0.00 0.22 -1.07 0.00 0.00 177.20 176.35 1nkh h TYR 103 N 0.00 0.81 -2.86 1.24 3.20 -1.76 -3.37 116.97 114.23 1nkh h TYR 103 Ca 0.00 -0.13 -0.55 0.00 3.14 0.00 0.00 58.73 61.19 1nkh h TYR 103 Cb 0.00 -0.22 -0.07 0.00 1.54 0.00 0.00 36.73 37.98 1nkh h TYR 103 CO 0.00 0.80 1.03 -1.58 -1.64 0.00 0.00 178.16 176.77 1nkh s TRP 104 N -5.06 2.43 -0.30 -3.82 0.51 -0.67 -4.90 118.94 107.13 1nkh s TRP 104 Ca -0.13 0.30 0.26 0.00 -2.12 0.00 0.00 56.10 54.41 1nkh s TRP 104 Cb 0.11 -4.52 1.12 0.00 -0.81 0.00 0.00 33.47 29.37 1nkh s TRP 104 CO 0.80 -1.82 1.78 0.87 -0.51 0.00 0.00 176.95 178.07 1nkh h LYS 105 N 10.06 0.00 0.00 4.98 1.57 -1.84 -2.65 116.57 128.69 1nkh h LYS 105 Ca -0.26 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.48 1nkh h LYS 105 Cb 1.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 1nkh h LYS 105 CO 1.21 0.00 -0.20 0.00 -0.57 0.00 0.00 179.45 179.89 1nkh h ALA 106 N 2.18 0.91 0.10 3.86 0.00 -1.91 -3.38 119.26 121.02 1nkh h ALA 106 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1nkh h ALA 106 Cb 0.34 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1nkh h ALA 106 CO 0.00 0.25 -0.26 -0.92 0.00 0.00 0.00 179.25 178.32 1nkh h TYR 107 N 0.00 -0.74 0.39 0.00 3.20 -1.80 -1.09 116.97 116.92 1nkh h TYR 107 Ca -0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 1nkh h TYR 107 Cb 1.00 0.31 -0.02 0.00 1.54 0.00 0.00 36.73 39.56 1nkh h TYR 107 CO 0.00 -0.30 -0.35 0.87 -1.64 0.00 0.00 178.16 176.73 1nkh h LYS 108 N -0.40 -0.73 0.00 1.82 1.57 -1.80 0.47 116.57 117.50 1nkh h LYS 108 Ca -0.01 0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.72 1nkh h LYS 108 Cb 0.39 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1nkh h LYS 108 CO -0.12 -0.48 -0.46 -1.00 -0.57 0.00 0.00 179.45 176.82 1nkh h PRO 109 N -0.75 0.00 0.00 3.15 0.13 -1.77 -3.30 132.00 129.46 1nkh h PRO 109 Ca -0.03 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1nkh h PRO 109 Cb 0.67 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.80 1nkh h PRO 109 CO -0.04 0.46 -1.50 -1.33 -0.23 0.00 0.00 178.00 175.35 1nkh n MET 110 N -3.72 0.34 -0.43 0.86 2.81 -0.42 -4.70 117.12 111.87 1nkh n MET 110 Ca -0.01 -0.10 0.07 0.00 -1.81 0.00 0.00 57.70 55.86 1nkh n MET 110 Cb 0.53 -1.26 0.18 0.00 -0.71 0.00 0.00 33.22 31.96 1nkh n MET 110 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1nkh n SER 112 N -1.21 1.75 -3.55 0.00 7.64 -1.21 -4.89 113.62 112.16 1nkh n SER 112 Ca 0.18 -1.51 -0.05 0.00 1.01 0.00 0.00 58.87 58.49 1nkh n SER 112 Cb 0.68 0.04 -0.00 0.00 -1.01 0.00 0.00 64.21 63.91 1nkh n SER 112 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1nkh s GLU 113 N -2.09 1.53 -0.93 1.43 -1.05 -1.26 -5.00 118.70 111.32 1nkh s GLU 113 Ca 0.33 -0.91 -0.09 0.00 -0.15 0.00 0.00 54.97 54.15 1nkh s GLU 113 Cb 0.20 0.48 0.00 0.00 -0.44 0.00 0.00 34.13 34.38 1nkh s GLU 113 CO 0.36 -0.71 0.68 1.63 0.95 0.00 0.00 175.26 178.18 1nkh n LYS 114 N -0.53 -1.26 -0.02 -4.83 5.02 -1.26 -4.89 118.16 110.38 1nkh n LYS 114 Ca -0.05 0.76 0.01 0.00 -2.02 0.00 0.00 58.31 57.01 1nkh n LYS 114 Cb 0.60 -3.53 -0.13 0.00 -0.02 0.00 0.00 35.03 31.95 1nkh n LYS 114 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1nkh n LEU 115 N -3.12 0.33 -0.30 -0.35 4.77 -1.26 -4.38 117.00 112.69 1nkh n LEU 115 Ca -0.17 0.14 0.11 0.00 -0.03 0.00 0.00 56.01 56.06 1nkh n LEU 115 Cb 0.61 0.18 0.27 0.00 -2.33 0.00 0.00 43.42 42.15 1nkh n LEU 115 CO 0.64 0.20 1.05 -0.08 -1.33 0.00 0.00 177.39 177.87 1nkh h GLU 116 N 0.00 0.45 0.00 3.23 4.57 -1.97 0.25 114.58 121.11 1nkh h GLU 116 Ca -0.23 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 57.92 1nkh h GLU 116 Cb 1.59 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 30.08 1nkh h GLU 116 CO 0.02 0.29 -0.01 -0.56 -1.18 0.00 0.00 179.01 177.58 1nkh h GLN 117 N 0.46 0.00 -0.00 1.92 3.07 -1.98 -2.39 115.11 116.19 1nkh h GLN 117 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.26 1nkh h GLN 117 Cb 0.91 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.47 1nkh h GLN 117 CO -0.48 0.01 -0.09 0.91 0.09 0.00 0.00 178.83 179.27 1nkh n TRP 118 N -3.18 0.00 -2.26 0.06 7.02 0.88 -4.89 117.44 115.07 1nkh n TRP 118 Ca -0.03 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.07 1nkh n TRP 118 Cb 0.11 -0.25 -0.02 0.00 -2.42 0.00 0.00 31.31 28.72 1nkh n TRP 118 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1nkh s ARG 119 N -2.59 4.14 -0.23 -0.99 3.52 -0.90 -4.79 118.95 117.11 1nkh s ARG 119 Ca 0.26 1.93 -0.29 0.00 -0.13 0.00 0.00 55.73 57.50 1nkh s ARG 119 Cb 0.20 -2.79 0.00 0.00 -1.56 0.00 0.00 34.95 30.80 1nkh s ARG 119 CO 0.49 -0.27 1.14 0.00 -0.81 0.00 0.00 175.30 175.85 1nkh n GLU 121 N 6.58 2.25 -4.68 0.00 -0.58 -1.26 -4.84 120.64 118.09 1nkh n GLU 121 Ca 0.13 -1.36 -0.32 0.00 -0.42 0.00 0.00 57.16 55.19 1nkh n GLU 121 Cb 0.46 -1.52 -0.12 0.00 -0.57 0.00 0.00 31.44 29.69 1nkh n GLU 121 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1nkh s LYS 122 N -1.66 2.36 0.00 3.49 -0.14 -1.26 -5.24 119.74 117.29 1nkh s LYS 122 Ca 0.24 -0.81 0.09 0.00 -1.36 0.00 0.00 55.97 54.13 1nkh s LYS 122 Cb 0.15 -2.34 0.51 0.00 -1.68 0.00 0.00 37.83 34.48 1nkh s LYS 122 CO 0.12 0.59 0.97 -2.30 -0.76 0.00 0.00 175.35 173.97