#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k85 n GLN 6 N 0.00 2.74 0.00 4.33 0.00 -1.26 -2.19 117.38 121.00 2k85 n GLN 6 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 57.00 54.91 2k85 n GLN 6 Cb 0.00 -2.88 0.00 0.00 0.00 0.00 0.00 30.24 27.36 2k85 n GLN 6 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 2k85 n GLN 7 N 5.00 0.00 0.16 2.61 -0.06 -1.26 -4.94 117.38 118.89 2k85 n GLN 7 Ca 0.59 0.00 0.12 0.00 -2.00 0.00 0.00 57.00 55.71 2k85 n GLN 7 Cb 0.28 0.00 0.65 0.00 -4.06 0.00 0.00 30.24 27.11 2k85 n GLN 7 CO 0.00 0.00 0.00 0.82 -0.20 0.00 0.00 177.06 177.68 2k85 h ILE 8 N 0.00 0.91 0.00 1.69 2.04 -1.87 0.14 117.51 120.42 2k85 h ILE 8 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2k85 h ILE 8 Cb 0.00 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 2k85 h ILE 8 CO 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 178.15 177.96 2k85 h ALA 9 N 1.90 0.00 -0.57 1.87 0.00 -1.92 -3.23 119.26 117.30 2k85 h ALA 9 Ca 0.10 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2k85 h ALA 9 Cb 0.36 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2k85 h ALA 9 CO -0.00 0.19 0.14 1.79 0.00 0.00 0.00 179.25 181.37 2k85 h THR 10 N -0.88 1.23 -0.55 0.00 1.35 -1.85 0.45 112.91 112.67 2k85 h THR 10 Ca 0.00 -0.84 -0.10 0.00 -0.55 0.00 0.00 66.41 64.92 2k85 h THR 10 Cb 0.19 0.64 -0.02 0.00 -1.73 0.00 0.00 68.15 67.23 2k85 h THR 10 CO 0.00 0.32 -0.06 0.00 -0.25 0.00 0.00 175.52 175.52 2k85 h ALA 11 N 1.30 0.85 -0.34 6.62 0.00 -0.91 0.21 119.26 126.98 2k85 h ALA 11 Ca 0.19 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 2k85 h ALA 11 Cb 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2k85 h ALA 11 CO -0.00 0.66 -0.02 -0.22 0.00 0.00 0.00 179.25 179.67 2k85 h LYS 12 N 0.90 0.61 -0.09 0.00 3.64 -1.45 0.20 116.57 120.39 2k85 h LYS 12 Ca 0.15 -0.21 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 2k85 h LYS 12 Cb 0.61 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.34 2k85 h LYS 12 CO 0.04 0.75 -0.14 0.22 -2.27 0.00 0.00 179.45 178.05 2k85 h ASP 13 N 0.41 -0.42 -0.08 4.20 3.58 0.20 0.86 116.42 125.18 2k85 h ASP 13 Ca 0.09 0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.61 2k85 h ASP 13 Cb 0.49 0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.73 2k85 h ASP 13 CO 0.02 -0.18 0.04 0.11 -2.88 0.00 0.00 179.24 176.34 2k85 h LYS 14 N -0.19 0.11 -0.78 0.28 6.56 -0.56 -2.19 116.57 119.80 2k85 h LYS 14 Ca 0.08 -0.02 0.13 0.00 -1.06 0.00 0.00 60.65 59.78 2k85 h LYS 14 Cb 0.30 -0.02 -0.09 0.00 -0.57 0.00 0.00 32.23 31.85 2k85 h LYS 14 CO -0.20 0.21 0.38 -0.92 -2.06 0.00 0.00 179.45 176.85 2k85 h TYR 15 N -0.01 0.66 -0.95 -1.35 3.20 -0.14 0.75 116.97 119.13 2k85 h TYR 15 Ca 0.03 0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.03 2k85 h TYR 15 Cb 0.13 -0.18 -0.08 0.00 1.54 0.00 0.00 36.73 38.15 2k85 h TYR 15 CO -0.03 0.17 0.58 0.93 -1.64 0.00 0.00 178.16 178.18 2k85 h GLU 16 N 0.58 0.94 -0.33 1.82 5.08 0.93 0.18 114.58 123.77 2k85 h GLU 16 Ca 0.41 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.59 2k85 h GLU 16 Cb 0.55 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2k85 h GLU 16 CO -0.34 0.62 -0.30 2.35 -1.00 0.00 0.00 179.01 180.34 2k85 h TRP 17 N 0.97 0.94 -0.39 4.33 7.01 0.06 -2.49 115.95 126.38 2k85 h TRP 17 Ca 0.45 -0.27 0.08 0.00 2.11 0.00 0.00 58.89 61.26 2k85 h TRP 17 Cb 0.39 -0.20 -0.08 0.00 -2.10 0.00 0.00 29.16 27.17 2k85 h TRP 17 CO -0.02 1.05 -0.11 -0.07 -2.79 0.00 0.00 178.44 176.49 2k85 h LEU 18 N 0.56 -0.41 -0.79 0.65 -0.00 0.25 1.56 115.31 117.13 2k85 h LEU 18 Ca 0.06 0.12 0.03 0.00 -0.00 0.00 0.00 57.88 58.09 2k85 h LEU 18 Cb 0.87 0.26 -0.05 0.00 -0.00 0.00 0.00 40.66 41.74 2k85 h LEU 18 CO 0.08 -0.15 0.50 0.58 -0.00 0.00 0.00 178.44 179.45 2k85 h VAL 19 N -0.02 1.11 0.00 1.22 2.07 -0.80 -1.22 116.25 118.61 2k85 h VAL 19 Ca 0.19 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 2k85 h VAL 19 Cb 0.31 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 2k85 h VAL 19 CO -0.41 0.18 -0.08 0.77 0.02 0.00 0.00 177.57 178.05 2k85 h SER 20 N 0.97 0.00 1.62 0.57 4.64 -0.06 0.90 113.55 122.19 2k85 h SER 20 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2k85 h SER 20 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2k85 h SER 20 CO -0.12 0.08 -0.28 0.08 -0.87 0.00 0.00 176.83 175.72 2k85 h ARG 21 N 0.00 0.00 0.00 4.77 0.11 0.30 -3.39 114.38 116.16 2k85 h ARG 21 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2k85 h ARG 21 Cb 0.75 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.83 2k85 h ARG 21 CO 0.01 0.00 -0.24 -0.89 0.10 0.00 0.00 179.97 178.95 2k85 n ILE 22 N -2.82 0.54 -2.16 0.08 2.08 -0.55 -4.91 119.36 111.62 2k85 n ILE 22 Ca 0.03 0.28 -0.34 0.00 0.56 0.00 0.00 62.75 63.29 2k85 n ILE 22 Cb 0.52 -1.60 -0.04 0.00 -0.75 0.00 0.00 39.64 37.77 2k85 n ILE 22 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 2k85 s VAL 23 N -1.60 3.50 -0.04 1.39 1.01 0.31 -4.79 120.40 120.17 2k85 s VAL 23 Ca -0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 2k85 s VAL 23 Cb 0.01 -4.21 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 2k85 s VAL 23 CO 0.10 -1.15 -0.05 0.11 0.00 0.00 0.00 175.10 174.12 2k85 h LYS 24 N 12.29 0.00 -0.06 2.72 1.79 -1.79 -3.40 116.57 128.12 2k85 h LYS 24 Ca -0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2k85 h LYS 24 Cb 1.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 2k85 h LYS 24 CO 1.25 0.00 0.00 0.27 -1.08 0.00 0.00 179.45 179.89 2k85 n ASN 25 N -3.00 0.34 0.00 0.86 0.23 -1.26 -4.86 115.26 107.57 2k85 n ASN 25 Ca -0.02 -1.86 0.00 0.00 -0.53 0.00 0.00 54.58 52.17 2k85 n ASN 25 Cb 0.07 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 2k85 n ASN 25 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2k85 n HIS 26 N -0.38 0.00 -0.10 -2.53 1.44 -1.26 -4.76 115.22 107.62 2k85 n HIS 26 Ca 0.05 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.71 2k85 n HIS 26 Cb 0.07 -1.39 0.15 0.00 0.12 0.00 0.00 29.99 28.95 2k85 n HIS 26 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 2k85 n ASN 27 N 0.49 3.46 -4.08 4.39 5.03 -1.26 -4.89 115.26 118.41 2k85 n ASN 27 Ca 0.00 -2.69 -0.19 0.00 0.87 0.00 0.00 54.58 52.57 2k85 n ASN 27 Cb 0.27 -0.64 0.10 0.00 -1.02 0.00 0.00 39.78 38.49 2k85 n ASN 27 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2k85 n GLU 28 N -0.05 0.01 -3.75 3.52 -0.58 -1.26 -5.12 120.64 113.41 2k85 n GLU 28 Ca 0.24 -2.22 -0.23 0.00 -0.42 0.00 0.00 57.16 54.54 2k85 n GLU 28 Cb 0.96 -0.55 -0.18 0.00 -0.57 0.00 0.00 31.44 31.10 2k85 n GLU 28 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2k85 s ASN 29 N -4.34 1.56 0.19 1.62 3.84 -1.26 -5.07 114.94 111.48 2k85 s ASN 29 Ca 0.54 -0.09 -0.19 0.00 0.21 0.00 0.00 52.86 53.34 2k85 s ASN 29 Cb -0.03 -0.38 0.13 0.00 -0.55 0.00 0.00 41.25 40.42 2k85 s ASN 29 CO 0.36 -0.21 1.37 1.87 -2.79 0.00 0.00 177.10 177.69 2k85 n TRP 30 N 5.18 -0.09 0.20 0.43 -0.00 -1.26 -0.87 117.44 121.03 2k85 n TRP 30 Ca -0.06 1.09 -0.15 0.00 -0.00 0.00 0.00 57.50 58.38 2k85 n TRP 30 Cb 0.50 -0.76 -0.08 0.00 -0.00 0.00 0.00 31.31 30.97 2k85 n TRP 30 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 2k85 h LEU 31 N 0.00 -0.38 -1.55 5.87 -0.00 -1.98 0.25 115.31 117.52 2k85 h LEU 31 Ca 0.26 -0.03 0.09 0.00 -0.00 0.00 0.00 57.88 58.20 2k85 h LEU 31 Cb 0.48 0.10 -0.04 0.00 -0.00 0.00 0.00 40.66 41.20 2k85 h LEU 31 CO -0.86 -0.21 0.43 0.28 -0.00 0.00 0.00 178.44 178.07 2k85 h SER 32 N -0.52 0.46 0.57 -0.43 0.02 -1.74 0.43 113.55 112.34 2k85 h SER 32 Ca -0.05 0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 60.79 2k85 h SER 32 Cb 0.39 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 2k85 h SER 32 CO 0.08 0.28 -0.59 0.58 -1.14 0.00 0.00 176.83 176.04 2k85 h VAL 33 N 0.51 1.42 -0.16 2.27 2.07 -0.06 -2.11 116.25 120.18 2k85 h VAL 33 Ca 0.29 -2.02 -0.11 0.00 0.82 0.00 0.00 66.70 65.69 2k85 h VAL 33 Cb 0.47 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 2k85 h VAL 33 CO -0.09 0.58 -0.38 0.28 0.02 0.00 0.00 177.57 177.97 2k85 h SER 34 N 0.02 0.37 0.02 0.57 0.02 0.15 0.82 113.55 115.51 2k85 h SER 34 Ca -0.01 -0.15 0.02 0.00 -0.84 0.00 0.00 61.79 60.82 2k85 h SER 34 Cb 1.05 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.45 2k85 h SER 34 CO 0.08 0.73 -0.18 0.03 -1.14 0.00 0.00 176.83 176.34 2k85 h ARG 35 N 0.30 -0.30 0.51 3.45 2.47 -0.68 0.52 114.38 120.65 2k85 h ARG 35 Ca 0.03 0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 2k85 h ARG 35 Cb 0.81 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.18 2k85 h ARG 35 CO 0.07 -0.20 -0.49 0.87 0.56 0.00 0.00 179.97 180.77 2k85 h LYS 36 N -0.31 -0.96 0.00 0.04 1.57 -1.02 -3.28 116.57 112.61 2k85 h LYS 36 Ca 0.05 0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 2k85 h LYS 36 Cb 0.37 0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 2k85 h LYS 36 CO -0.16 -0.64 -0.03 0.52 -0.57 0.00 0.00 179.45 178.57 2k85 h MET 37 N -1.00 0.00 -0.61 3.15 2.86 0.87 -3.28 114.93 116.91 2k85 h MET 37 Ca -0.06 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.65 2k85 h MET 37 Cb 0.87 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.49 2k85 h MET 37 CO -0.05 0.03 0.41 -0.56 1.06 0.00 0.00 176.91 177.80 2k85 h GLN 38 N 0.00 0.53 -2.01 1.72 -0.00 -0.01 -1.92 115.11 113.42 2k85 h GLN 38 Ca -0.00 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.65 58.58 2k85 h GLN 38 Cb 0.44 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.48 27.78 2k85 h GLN 38 CO 0.00 0.35 -0.08 0.00 -0.00 0.00 0.00 178.83 179.10 2k85 n ALA 39 N -2.49 4.47 -3.73 0.06 0.00 -1.24 -4.64 120.51 112.95 2k85 n ALA 39 Ca 0.09 -0.41 -0.15 0.00 0.00 0.00 0.00 53.44 52.97 2k85 n ALA 39 Cb 0.28 -1.32 -0.15 0.00 0.00 0.00 0.00 19.45 18.26 2k85 n ALA 39 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2k85 s SER 40 N 2.01 0.21 0.38 0.00 0.01 -0.72 -5.04 113.70 110.55 2k85 s SER 40 Ca 0.15 0.21 0.09 0.00 1.31 0.00 0.00 55.95 57.71 2k85 s SER 40 Cb 0.07 0.10 0.86 0.00 0.21 0.00 0.00 66.02 67.26 2k85 s SER 40 CO 0.00 -0.17 1.94 1.55 0.41 0.00 0.00 173.24 176.97 2k85 h PRO 41 N 7.57 0.61 -0.19 12.44 0.13 -1.87 -1.68 132.00 149.01 2k85 h PRO 41 Ca -0.36 -0.04 -0.21 0.00 -0.87 0.00 0.00 66.00 64.52 2k85 h PRO 41 Cb 1.13 -0.14 0.01 0.00 0.13 0.00 0.00 31.00 32.13 2k85 h PRO 41 CO 0.36 0.40 -0.72 0.93 -0.23 0.00 0.00 178.00 178.75 2k85 h GLU 42 N 0.62 0.82 -0.00 0.86 4.39 -1.95 0.10 114.58 119.43 2k85 h GLU 42 Ca 0.34 -0.63 0.00 0.00 0.34 0.00 0.00 59.36 59.41 2k85 h GLU 42 Cb 0.49 0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2k85 h GLU 42 CO -0.12 1.24 0.00 -0.92 -1.16 0.00 0.00 179.01 178.06 2k85 h TYR 43 N 0.58 0.00 0.64 4.33 3.20 -1.66 -2.07 116.97 121.99 2k85 h TYR 43 Ca -0.04 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.80 2k85 h TYR 43 Cb 1.34 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.62 2k85 h TYR 43 CO 0.08 0.02 -0.33 1.96 -1.64 0.00 0.00 178.16 178.25 2k85 h GLN 44 N -0.01 -0.86 -0.54 1.82 1.08 -1.24 -1.44 115.11 113.92 2k85 h GLN 44 Ca 0.00 0.06 0.08 0.00 -1.45 0.00 0.00 58.65 57.34 2k85 h GLN 44 Cb 0.02 0.20 -0.10 0.00 -0.05 0.00 0.00 27.48 27.54 2k85 h GLN 44 CO -0.00 -0.57 -0.48 0.22 -0.95 0.00 0.00 178.83 177.05 2k85 h ASP 45 N -0.89 -1.63 -0.72 1.46 1.82 -0.84 0.39 116.42 116.01 2k85 h ASP 45 Ca -0.09 0.25 -0.03 0.00 -0.39 0.00 0.00 57.03 56.77 2k85 h ASP 45 Cb 0.69 0.71 -0.03 0.00 0.68 0.00 0.00 39.33 41.38 2k85 h ASP 45 CO 0.13 -0.35 0.34 0.22 -1.61 0.00 0.00 179.24 177.96 2k85 h TYR 46 N -0.27 1.05 0.00 0.28 3.20 -1.42 -1.91 116.97 117.89 2k85 h TYR 46 Ca 0.14 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.96 2k85 h TYR 46 Cb 0.57 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.52 2k85 h TYR 46 CO -0.72 0.78 0.00 0.28 -1.64 0.00 0.00 178.16 176.86 2k85 h VAL 47 N 1.01 0.00 0.41 1.81 2.07 -0.49 -1.23 116.25 119.83 2k85 h VAL 47 Ca 0.25 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 2k85 h VAL 47 Cb 0.14 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2k85 h VAL 47 CO -0.03 0.00 -0.20 0.22 0.02 0.00 0.00 177.57 177.58 2k85 h TYR 48 N 0.00 -0.51 0.10 1.57 3.20 0.52 -2.87 116.97 118.98 2k85 h TYR 48 Ca 0.00 -0.01 -0.27 0.00 3.14 0.00 0.00 58.73 61.59 2k85 h TYR 48 Cb 0.77 0.17 0.01 0.00 1.54 0.00 0.00 36.73 39.22 2k85 h TYR 48 CO 0.00 -0.28 -1.17 1.37 -1.64 0.00 0.00 178.16 176.44 2k85 h LEU 49 N -1.12 0.53 0.00 2.82 8.10 -1.48 -3.41 115.31 120.76 2k85 h LEU 49 Ca -0.06 -0.52 0.00 0.00 0.11 0.00 0.00 57.88 57.42 2k85 h LEU 49 Cb 0.46 -0.17 0.00 0.00 -0.44 0.00 0.00 40.66 40.51 2k85 h LEU 49 CO 0.09 1.37 0.00 -0.62 -4.11 0.00 0.00 178.44 175.17 2k85 n GLU 50 N -3.64 0.00 0.00 0.17 -0.58 -0.47 -5.12 120.64 111.01 2k85 n GLU 50 Ca -0.09 0.16 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 2k85 n GLU 50 Cb 0.97 -0.56 0.00 0.00 -0.57 0.00 0.00 31.44 31.28 2k85 n GLU 50 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k85 n GLY 51 N 2.05 3.63 0.23 0.62 0.00 -1.08 -4.95 105.19 105.69 2k85 n GLY 51 Ca 0.00 -0.89 0.13 0.00 0.00 0.00 0.00 46.02 45.26 2k85 n GLY 51 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2k85 h THR 52 N 2.77 0.23 0.41 2.61 2.02 -1.91 -2.84 112.91 116.20 2k85 h THR 52 Ca 0.00 -0.97 -0.02 0.00 0.77 0.00 0.00 66.41 66.19 2k85 h THR 52 Cb 0.00 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 2k85 h THR 52 CO 0.00 0.11 -0.20 1.56 0.37 0.00 0.00 175.52 177.36 2k85 h GLN 53 N 0.00 -0.53 -0.94 6.66 4.20 -1.94 0.84 115.11 123.40 2k85 h GLN 53 Ca -0.00 0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.81 2k85 h GLN 53 Cb 0.79 0.12 -0.06 0.00 0.30 0.00 0.00 27.48 28.62 2k85 h GLN 53 CO 0.01 -0.35 0.61 0.87 -0.67 0.00 0.00 178.83 179.30 2k85 h LYS 54 N -1.01 1.06 -0.78 1.46 1.57 -1.93 0.21 116.57 117.14 2k85 h LYS 54 Ca -0.06 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 2k85 h LYS 54 Cb 0.42 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 2k85 h LYS 54 CO 0.09 0.70 0.44 0.00 -0.57 0.00 0.00 179.45 180.11 2k85 h ALA 55 N 1.49 1.30 -0.33 3.86 0.00 -1.53 0.61 119.26 124.65 2k85 h ALA 55 Ca 0.40 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 2k85 h ALA 55 Cb 0.17 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2k85 h ALA 55 CO -0.15 0.58 0.01 -0.22 0.00 0.00 0.00 179.25 179.47 2k85 h LYS 56 N 1.09 0.57 -0.69 0.00 3.64 0.80 0.19 116.57 122.16 2k85 h LYS 56 Ca 0.28 -0.18 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 2k85 h LYS 56 Cb 0.00 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 2k85 h LYS 56 CO -0.05 0.69 0.46 0.87 -2.27 0.00 0.00 179.45 179.15 2k85 h LYS 57 N 0.38 0.88 -0.56 1.90 1.79 -0.63 -0.38 116.57 119.94 2k85 h LYS 57 Ca 0.09 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.46 2k85 h LYS 57 Cb 0.43 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.86 2k85 h LYS 57 CO 0.01 0.58 0.17 1.25 -1.08 0.00 0.00 179.45 180.38 2k85 h LEU 58 N 0.90 0.83 -0.33 2.94 5.85 0.89 0.80 115.31 127.20 2k85 h LEU 58 Ca 0.26 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.83 2k85 h LEU 58 Cb -0.05 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.70 2k85 h LEU 58 CO -0.06 0.83 -0.06 0.15 -0.34 0.00 0.00 178.44 178.95 2k85 h PHE 59 N 0.79 -0.13 -0.29 1.25 3.57 0.28 -0.40 116.94 122.01 2k85 h PHE 59 Ca 0.18 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.77 2k85 h PHE 59 Cb 0.30 0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.09 2k85 h PHE 59 CO 0.02 -0.12 -0.09 -0.07 -2.23 0.00 0.00 178.31 175.82 2k85 h LEU 60 N 0.02 -0.32 0.12 0.59 -0.00 -0.45 0.32 115.31 115.58 2k85 h LEU 60 Ca 0.16 0.09 0.02 0.00 -0.00 0.00 0.00 57.88 58.15 2k85 h LEU 60 Cb 0.24 0.20 -0.05 0.00 -0.00 0.00 0.00 40.66 41.05 2k85 h LEU 60 CO -0.32 -0.12 -0.49 1.56 -0.00 0.00 0.00 178.44 179.07 2k85 h GLN 61 N -0.02 -0.69 -0.99 1.13 1.08 -0.47 -0.24 115.11 114.89 2k85 h GLN 61 Ca 0.14 0.05 0.13 0.00 -1.45 0.00 0.00 58.65 57.52 2k85 h GLN 61 Cb 0.24 0.16 -0.09 0.00 -0.05 0.00 0.00 27.48 27.74 2k85 h GLN 61 CO -0.31 -0.46 0.62 1.25 -0.95 0.00 0.00 178.83 178.98 2k85 h HIS 62 N -0.72 1.10 -0.66 2.96 2.76 -0.76 0.56 115.15 120.39 2k85 h HIS 62 Ca 0.01 0.03 0.12 0.00 -2.20 0.00 0.00 60.37 58.33 2k85 h HIS 62 Cb 0.74 -0.35 -0.09 0.00 1.55 0.00 0.00 27.41 29.27 2k85 h HIS 62 CO -0.43 0.41 0.22 0.82 -1.30 0.00 0.00 177.93 177.65 2k85 h ILE 63 N 0.93 0.68 0.30 6.26 1.08 0.69 0.46 117.51 127.91 2k85 h ILE 63 Ca 0.50 -0.13 -0.01 0.00 -0.39 0.00 0.00 64.86 64.84 2k85 h ILE 63 Cb 0.58 0.28 -0.01 0.00 -3.07 0.00 0.00 36.82 34.60 2k85 h ILE 63 CO -0.27 0.07 -0.19 -0.74 -0.69 0.00 0.00 178.15 176.32 2k85 h HIS 64 N 0.37 -0.49 -0.61 1.37 -0.00 0.77 -1.42 115.15 115.14 2k85 h HIS 64 Ca 0.35 -0.00 0.13 0.00 -0.00 0.00 0.00 60.37 60.84 2k85 h HIS 64 Cb 0.50 0.18 -0.10 0.00 -0.00 0.00 0.00 27.41 27.98 2k85 h HIS 64 CO -0.20 -0.29 0.04 0.00 -0.00 0.00 0.00 177.93 177.48 2k85 h ARG 65 N -0.47 0.15 -0.71 5.26 3.08 -0.37 0.55 114.38 121.87 2k85 h ARG 65 Ca -0.03 -0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.15 2k85 h ARG 65 Cb 0.39 -0.03 -0.10 0.00 0.08 0.00 0.00 29.97 30.31 2k85 h ARG 65 CO 0.03 0.10 0.21 -0.07 -1.07 0.00 0.00 179.97 179.16 2k85 h LEU 66 N 0.15 0.10 -0.13 3.04 3.38 0.34 -0.40 115.31 121.79 2k85 h LEU 66 Ca 0.32 0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.38 2k85 h LEU 66 Cb 0.52 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 2k85 h LEU 66 CO -0.50 0.02 -0.06 0.11 0.09 0.00 0.00 178.44 178.10 2k85 h LYS 67 N 0.33 0.27 -0.50 1.13 1.57 -0.07 -3.45 116.57 115.85 2k85 h LYS 67 Ca 0.39 -0.12 0.16 0.00 -1.87 0.00 0.00 60.65 59.21 2k85 h LYS 67 Cb 0.62 -0.01 -0.20 0.00 0.08 0.00 0.00 32.23 32.73 2k85 h LYS 67 CO -0.45 0.61 -0.11 -3.38 -0.57 0.00 0.00 179.45 175.55 2k85 s HIS 68 N -4.56 -0.91 -2.31 -1.35 -3.43 0.18 -5.10 115.29 97.80 2k85 s HIS 68 Ca -0.14 0.58 0.30 0.00 -0.80 0.00 0.00 55.06 55.00 2k85 s HIS 68 Cb 0.05 0.18 1.38 0.00 -1.43 0.00 0.00 32.58 32.76 2k85 s HIS 68 CO 0.73 -0.53 1.93 -1.91 -2.00 0.00 0.00 174.74 172.96