#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k85 h GLN 6 N 0.00 0.30 -0.07 1.43 4.15 -2.05 -0.67 115.11 118.20 2k85 h GLN 6 Ca 0.00 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.42 2k85 h GLN 6 Cb 0.00 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.62 2k85 h GLN 6 CO 0.00 0.20 0.05 0.37 -1.93 0.00 0.00 178.83 177.52 2k85 h GLN 7 N 0.31 0.00 0.00 1.69 5.75 -2.03 0.16 115.11 120.98 2k85 h GLN 7 Ca 0.41 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.91 2k85 h GLN 7 Cb 0.69 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.24 2k85 h GLN 7 CO -0.48 0.00 0.00 0.82 -2.65 0.00 0.00 178.83 176.52 2k85 h ILE 8 N 0.00 0.00 0.00 2.39 2.04 -1.56 -1.59 117.51 118.79 2k85 h ILE 8 Ca 0.03 -0.34 -0.28 0.00 1.00 0.00 0.00 64.86 65.27 2k85 h ILE 8 Cb 0.14 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 2k85 h ILE 8 CO -0.00 0.00 -1.91 0.00 0.00 0.00 0.00 178.15 176.24 2k85 n ALA 9 N -2.08 1.83 0.10 1.87 0.00 -0.14 -4.53 120.51 117.57 2k85 n ALA 9 Ca -0.01 -0.70 -0.03 0.00 0.00 0.00 0.00 53.44 52.70 2k85 n ALA 9 Cb 0.23 0.26 0.17 0.00 0.00 0.00 0.00 19.45 20.10 2k85 n ALA 9 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2k85 h THR 10 N -0.64 1.37 -0.46 0.00 1.35 -1.09 0.28 112.91 113.71 2k85 h THR 10 Ca -0.42 -1.85 -0.02 0.00 -0.55 0.00 0.00 66.41 63.56 2k85 h THR 10 Cb 1.35 1.93 -0.02 0.00 -1.73 0.00 0.00 68.15 69.68 2k85 h THR 10 CO -0.26 0.54 0.20 0.00 -0.25 0.00 0.00 175.52 175.75 2k85 h ALA 11 N 1.30 0.60 0.11 6.62 0.00 -1.50 0.29 119.26 126.68 2k85 h ALA 11 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2k85 h ALA 11 Cb 1.01 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2k85 h ALA 11 CO 0.08 0.19 -0.05 -0.22 0.00 0.00 0.00 179.25 179.25 2k85 h LYS 12 N 0.60 -0.14 -0.55 0.00 3.64 -1.67 0.31 116.57 118.76 2k85 h LYS 12 Ca 0.16 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.66 2k85 h LYS 12 Cb 0.17 0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 31.93 2k85 h LYS 12 CO -0.02 0.23 -0.02 0.22 -2.27 0.00 0.00 179.45 177.59 2k85 h ASP 13 N -0.53 -0.28 -0.43 4.20 1.82 -0.34 0.79 116.42 121.66 2k85 h ASP 13 Ca -0.01 0.14 -0.11 0.00 -0.39 0.00 0.00 57.03 56.66 2k85 h ASP 13 Cb 0.43 0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.68 2k85 h ASP 13 CO 0.02 -0.10 -0.14 0.50 -1.61 0.00 0.00 179.24 177.91 2k85 h LYS 14 N 0.10 0.86 -0.80 0.28 3.64 -0.44 -2.32 116.57 117.89 2k85 h LYS 14 Ca 0.28 -0.35 0.05 0.00 -1.27 0.00 0.00 60.65 59.37 2k85 h LYS 14 Cb 0.44 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.17 2k85 h LYS 14 CO -0.48 0.98 0.49 -0.92 -2.27 0.00 0.00 179.45 177.25 2k85 h TYR 15 N 0.68 0.90 -0.69 1.91 3.20 0.62 0.30 116.97 123.90 2k85 h TYR 15 Ca 0.10 0.03 0.09 0.00 3.14 0.00 0.00 58.73 62.09 2k85 h TYR 15 Cb 0.69 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.63 2k85 h TYR 15 CO 0.05 0.47 0.45 0.93 -1.64 0.00 0.00 178.16 178.42 2k85 h GLU 16 N 0.90 0.57 -0.13 1.82 5.08 0.81 0.43 114.58 124.06 2k85 h GLU 16 Ca 0.34 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.53 2k85 h GLU 16 Cb 0.14 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.27 2k85 h GLU 16 CO -0.16 0.38 -0.47 2.35 -1.00 0.00 0.00 179.01 180.10 2k85 h TRP 17 N 0.59 0.73 -0.43 4.33 7.01 -0.51 -2.37 115.95 125.29 2k85 h TRP 17 Ca 0.31 -0.30 0.09 0.00 2.11 0.00 0.00 58.89 61.10 2k85 h TRP 17 Cb 0.45 -0.12 -0.09 0.00 -2.10 0.00 0.00 29.16 27.30 2k85 h TRP 17 CO -0.00 1.07 -0.17 -0.07 -2.79 0.00 0.00 178.44 176.48 2k85 h LEU 18 N 0.18 -0.60 -1.03 0.65 -0.00 0.19 1.47 115.31 116.17 2k85 h LEU 18 Ca -0.02 0.15 -0.06 0.00 -0.00 0.00 0.00 57.88 57.95 2k85 h LEU 18 Cb 1.10 0.34 -0.02 0.00 -0.00 0.00 0.00 40.66 42.08 2k85 h LEU 18 CO 0.10 -0.21 0.06 1.62 -0.00 0.00 0.00 178.44 180.01 2k85 h VAL 19 N -0.08 1.23 0.00 1.22 3.04 -0.34 -1.10 116.25 120.22 2k85 h VAL 19 Ca 0.21 -0.87 0.00 0.00 -1.01 0.00 0.00 66.70 65.03 2k85 h VAL 19 Cb 0.40 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 30.48 2k85 h VAL 19 CO -0.49 0.31 0.00 0.77 -1.01 0.00 0.00 177.57 177.16 2k85 h SER 20 N 0.72 0.00 1.53 3.17 4.64 -0.35 0.24 113.55 123.50 2k85 h SER 20 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2k85 h SER 20 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2k85 h SER 20 CO 0.01 0.00 -0.35 0.08 -0.87 0.00 0.00 176.83 175.70 2k85 h ARG 21 N 0.00 0.00 0.00 4.77 0.11 0.31 -3.39 114.38 116.19 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 0.84 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.92 2k85 h ARG 21 CO 0.00 0.00 -0.22 -0.89 0.10 0.00 0.00 179.97 178.96 2k85 n ILE 22 N -2.78 0.39 -1.75 0.08 2.08 -0.66 -4.95 119.36 111.76 2k85 n ILE 22 Ca 0.03 0.36 -0.42 0.00 0.56 0.00 0.00 62.75 63.27 2k85 n ILE 22 Cb 0.51 -1.63 -0.03 0.00 -0.75 0.00 0.00 39.64 37.74 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 -1.47 3.16 0.00 1.39 1.01 0.83 -4.83 120.40 120.49 2k85 s VAL 23 Ca -0.06 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.10 2k85 s VAL 23 Cb 0.01 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.26 2k85 s VAL 23 CO 0.09 -0.03 0.00 1.17 0.00 0.00 0.00 175.10 176.33 2k85 n LYS 24 N 7.64 0.00 -0.46 2.72 3.00 -1.26 -4.47 118.16 125.33 2k85 n LYS 24 Ca 0.21 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.60 2k85 n LYS 24 Cb 0.42 -0.56 0.27 0.00 0.00 0.00 0.00 35.03 35.16 2k85 n LYS 24 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 2k85 n ASN 25 N -2.86 4.04 0.00 3.14 6.94 -1.26 -4.95 115.26 120.31 2k85 n ASN 25 Ca 0.00 -2.64 0.00 0.00 -0.02 0.00 0.00 54.58 51.92 2k85 n ASN 25 Cb 0.46 -0.49 0.00 0.00 -2.36 0.00 0.00 39.78 37.39 2k85 n ASN 25 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k85 n HIS 26 N 0.22 0.00 -0.51 -2.53 1.44 -1.26 -4.73 115.22 107.84 2k85 n HIS 26 Ca 0.21 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.86 2k85 n HIS 26 Cb 0.81 -0.72 0.02 0.00 0.12 0.00 0.00 29.99 30.22 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 0.00 5.49 -4.45 4.39 3.02 -1.26 -4.81 115.26 117.64 2k85 n ASN 27 Ca 0.00 -2.62 -0.20 0.00 -0.03 0.00 0.00 54.58 51.73 2k85 n ASN 27 Cb 0.00 -1.04 0.09 0.00 -0.61 0.00 0.00 39.78 38.22 2k85 n ASN 27 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2k85 n GLU 28 N 0.97 0.17 -3.97 3.52 -0.58 -1.26 -5.11 120.64 114.38 2k85 n GLU 28 Ca 0.11 -2.62 -0.30 0.00 -0.42 0.00 0.00 57.16 53.94 2k85 n GLU 28 Cb 0.55 -0.48 -0.16 0.00 -0.57 0.00 0.00 31.44 30.77 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 -4.59 3.13 0.27 1.62 2.47 -1.26 -5.03 114.94 111.55 2k85 s ASN 29 Ca 0.59 -0.77 -0.05 0.00 0.42 0.00 0.00 52.86 53.06 2k85 s ASN 29 Cb -0.04 -1.14 0.52 0.00 -1.45 0.00 0.00 41.25 39.14 2k85 s ASN 29 CO 0.39 -0.14 1.48 1.87 -3.72 0.00 0.00 177.10 176.97 2k85 n TRP 30 N 4.75 0.41 0.01 0.43 -0.00 -1.26 -0.15 117.44 121.63 2k85 n TRP 30 Ca -0.14 1.15 -0.12 0.00 -0.00 0.00 0.00 57.50 58.39 2k85 n TRP 30 Cb 0.47 -1.09 -0.07 0.00 -0.00 0.00 0.00 31.31 30.62 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 0.06 0.03 5.87 -0.00 -1.98 0.32 115.31 119.61 2k85 h LEU 31 Ca 0.49 -0.12 0.03 0.00 -0.00 0.00 0.00 57.88 58.27 2k85 h LEU 31 Cb 0.83 -0.01 -0.04 0.00 -0.00 0.00 0.00 40.66 41.44 2k85 h LEU 31 CO -0.95 0.16 -0.21 0.28 -0.00 0.00 0.00 178.44 177.72 2k85 h SER 32 N -0.05 -0.61 0.29 -0.43 0.02 -0.97 -1.33 113.55 110.47 2k85 h SER 32 Ca 0.01 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2k85 h SER 32 Cb 0.12 0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.91 2k85 h SER 32 CO -0.00 -0.28 0.00 -0.37 -1.14 0.00 0.00 176.83 175.04 2k85 h VAL 33 N -0.35 0.00 0.02 2.27 -1.51 -0.23 -0.83 116.25 115.63 2k85 h VAL 33 Ca 0.05 -0.14 -0.25 0.00 -1.23 0.00 0.00 66.70 65.13 2k85 h VAL 33 Cb 0.41 1.12 0.01 0.00 -2.13 0.00 0.00 31.29 30.70 2k85 h VAL 33 CO -0.17 0.00 -1.02 0.28 -1.23 0.00 0.00 177.57 175.43 2k85 h SER 34 N 0.00 0.65 -0.23 4.19 0.02 0.51 0.28 113.55 118.96 2k85 h SER 34 Ca 0.00 -0.54 0.02 0.00 -0.84 0.00 0.00 61.79 60.43 2k85 h SER 34 Cb 0.15 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 2k85 h SER 34 CO 0.00 1.35 0.09 0.03 -1.14 0.00 0.00 176.83 177.15 2k85 h ARG 35 N 0.26 0.19 0.20 3.45 3.08 -0.10 0.73 114.38 122.20 2k85 h ARG 35 Ca -0.11 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 2k85 h ARG 35 Cb 1.67 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.66 2k85 h ARG 35 CO 0.18 0.13 -0.33 0.87 -1.07 0.00 0.00 179.97 179.75 2k85 h LYS 36 N 0.20 -0.54 -0.03 0.04 1.57 -1.41 -3.16 116.57 113.23 2k85 h LYS 36 Ca 0.10 0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2k85 h LYS 36 Cb 0.06 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 2k85 h LYS 36 CO -0.10 -0.36 0.02 0.52 -0.57 0.00 0.00 179.45 178.96 2k85 h MET 37 N -0.56 0.04 0.00 3.15 2.86 -0.26 -2.78 114.93 117.39 2k85 h MET 37 Ca -0.02 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2k85 h MET 37 Cb 0.52 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2k85 h MET 37 CO -0.11 0.03 0.00 -0.56 1.06 0.00 0.00 176.91 177.33 2k85 h GLN 38 N 0.04 0.00 -0.06 1.72 3.07 0.52 0.11 115.11 120.51 2k85 h GLN 38 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.75 2k85 h GLN 38 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 2k85 h GLN 38 CO -0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.83 178.92 2k85 n ALA 39 N -2.05 2.24 -3.61 0.06 0.00 -1.05 -4.65 120.51 111.46 2k85 n ALA 39 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.20 2k85 n ALA 39 Cb 0.18 -1.00 -0.17 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.18 1.56 0.54 0.00 0.01 0.38 -5.02 113.70 110.00 2k85 s SER 40 Ca 0.00 -0.23 0.24 0.00 1.31 0.00 0.00 55.95 57.27 2k85 s SER 40 Cb 0.00 -0.68 1.43 0.00 0.21 0.00 0.00 66.02 66.98 2k85 s SER 40 CO 0.00 -0.04 2.05 1.55 0.41 0.00 0.00 173.24 177.22 2k85 h PRO 41 N 7.34 0.00 0.11 12.44 0.13 -1.83 -1.77 132.00 148.41 2k85 h PRO 41 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2k85 h PRO 41 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2k85 h PRO 41 CO 0.45 0.00 -0.12 0.93 -0.23 0.00 0.00 178.00 179.03 2k85 h GLU 42 N 0.00 -0.25 -0.24 0.86 3.07 -1.95 0.41 114.58 116.48 2k85 h GLU 42 Ca 0.15 0.02 0.02 0.00 -0.50 0.00 0.00 59.36 59.05 2k85 h GLU 42 Cb 0.66 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.60 2k85 h GLU 42 CO -0.00 -0.17 0.10 -0.92 -1.40 0.00 0.00 179.01 176.62 2k85 h TYR 43 N -0.26 0.18 0.18 4.33 3.20 -1.55 -2.51 116.97 120.54 2k85 h TYR 43 Ca 0.01 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.90 2k85 h TYR 43 Cb 0.25 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 2k85 h TYR 43 CO -0.12 0.10 -0.29 1.96 -1.64 0.00 0.00 178.16 178.16 2k85 h GLN 44 N 0.22 -0.52 -0.29 1.82 1.08 -1.08 -1.54 115.11 114.80 2k85 h GLN 44 Ca 0.10 0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.37 2k85 h GLN 44 Cb 0.05 0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.56 2k85 h GLN 44 CO -0.09 -0.35 0.09 0.22 -0.95 0.00 0.00 178.83 177.75 2k85 h ASP 45 N -0.54 0.08 -0.26 1.46 3.58 -0.09 0.35 116.42 120.99 2k85 h ASP 45 Ca 0.02 0.04 -0.10 0.00 0.42 0.00 0.00 57.03 57.40 2k85 h ASP 45 Cb 0.54 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.61 2k85 h ASP 45 CO -0.13 0.08 -0.19 0.22 -2.88 0.00 0.00 179.24 176.34 2k85 h TYR 46 N 0.21 0.80 0.00 0.28 3.20 -1.37 -0.24 116.97 119.84 2k85 h TYR 46 Ca 0.13 -0.17 -0.05 0.00 3.14 0.00 0.00 58.73 61.78 2k85 h TYR 46 Cb 0.11 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 2k85 h TYR 46 CO -0.15 0.85 -0.24 0.28 -1.64 0.00 0.00 178.16 177.26 2k85 h VAL 47 N 0.63 0.46 0.15 1.81 2.07 -0.78 -1.55 116.25 119.03 2k85 h VAL 47 Ca 0.10 -1.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 2k85 h VAL 47 Cb 0.67 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 2k85 h VAL 47 CO 0.05 0.24 -0.07 0.22 0.02 0.00 0.00 177.57 178.03 2k85 h TYR 48 N 0.00 -0.19 0.16 1.57 3.20 0.31 -2.39 116.97 119.64 2k85 h TYR 48 Ca -0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2k85 h TYR 48 Cb 1.05 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 39.38 2k85 h TYR 48 CO 0.00 0.23 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.58 2k85 h LEU 49 N -0.69 -0.26 0.00 2.82 3.38 -1.03 -3.41 115.31 116.13 2k85 h LEU 49 Ca -0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2k85 h LEU 49 Cb 0.50 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2k85 h LEU 49 CO 0.03 -0.15 0.00 -0.62 0.09 0.00 0.00 178.44 177.79 2k85 n GLU 50 N -2.82 0.00 0.00 1.13 -0.58 -0.59 -5.11 120.64 112.68 2k85 n GLU 50 Ca -0.03 0.33 0.00 0.00 -0.42 0.00 0.00 57.16 57.04 2k85 n GLU 50 Cb 0.10 -0.83 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 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 1.84 2.39 0.16 0.62 0.00 -0.90 -4.93 105.19 104.37 2k85 n GLY 51 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 1.04 1.36 -0.15 2.61 2.02 -1.92 -2.64 112.91 115.22 2k85 h THR 52 Ca 0.00 -1.74 -0.10 0.00 0.77 0.00 0.00 66.41 65.35 2k85 h THR 52 Cb 0.00 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 2k85 h THR 52 CO 0.00 0.50 -0.29 1.56 0.37 0.00 0.00 175.52 177.66 2k85 h GLN 53 N 0.00 0.46 -0.55 6.66 4.20 -1.95 0.26 115.11 124.19 2k85 h GLN 53 Ca -0.01 -0.29 -0.07 0.00 0.06 0.00 0.00 58.65 58.34 2k85 h GLN 53 Cb 0.90 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.69 2k85 h GLN 53 CO 0.07 0.90 0.06 0.87 -0.67 0.00 0.00 178.83 180.05 2k85 h LYS 54 N 0.08 0.90 -0.43 1.46 1.57 -1.91 0.45 116.57 118.69 2k85 h LYS 54 Ca 0.01 -0.23 -0.13 0.00 -1.87 0.00 0.00 60.65 58.43 2k85 h LYS 54 Cb 0.88 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 2k85 h LYS 54 CO 0.06 0.85 -0.24 0.00 -0.57 0.00 0.00 179.45 179.56 2k85 h ALA 55 N 1.22 0.76 0.12 3.86 0.00 -1.39 0.26 119.26 124.09 2k85 h ALA 55 Ca 0.17 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2k85 h ALA 55 Cb 0.42 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2k85 h ALA 55 CO 0.01 0.66 -0.06 -0.22 0.00 0.00 0.00 179.25 179.64 2k85 h LYS 56 N 0.77 -0.16 -0.95 0.00 3.64 0.04 0.47 116.57 120.37 2k85 h LYS 56 Ca 0.10 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.61 2k85 h LYS 56 Cb 0.79 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.57 2k85 h LYS 56 CO 0.07 -0.08 0.58 -0.22 -2.27 0.00 0.00 179.45 177.53 2k85 h LYS 57 N -0.20 0.88 -0.42 1.90 1.63 0.01 0.34 116.57 120.71 2k85 h LYS 57 Ca -0.02 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.70 2k85 h LYS 57 Cb 0.16 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.57 2k85 h LYS 57 CO 0.03 0.59 0.14 1.25 -3.45 0.00 0.00 179.45 178.00 2k85 h LEU 58 N 0.91 0.61 -0.20 5.20 5.85 -0.02 -0.21 115.31 127.45 2k85 h LEU 58 Ca 0.48 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 59.06 2k85 h LEU 58 Cb 0.50 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.30 2k85 h LEU 58 CO -0.28 0.65 -0.32 0.15 -0.34 0.00 0.00 178.44 178.30 2k85 h PHE 59 N 0.54 -0.88 -0.45 1.25 3.57 0.14 -1.63 116.94 119.48 2k85 h PHE 59 Ca 0.14 0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.77 2k85 h PHE 59 Cb 0.25 0.42 -0.08 0.00 2.79 0.00 0.00 35.95 39.32 2k85 h PHE 59 CO 0.01 -0.39 -0.06 -0.07 -2.23 0.00 0.00 178.31 175.57 2k85 h LEU 60 N -0.35 -0.31 0.07 0.59 -0.00 0.02 0.25 115.31 115.58 2k85 h LEU 60 Ca 0.12 0.12 0.01 0.00 -0.00 0.00 0.00 57.88 58.13 2k85 h LEU 60 Cb 0.54 0.24 -0.04 0.00 -0.00 0.00 0.00 40.66 41.40 2k85 h LEU 60 CO -0.40 -0.11 -0.42 1.56 -0.00 0.00 0.00 178.44 179.07 2k85 h GLN 61 N 0.05 -0.55 -0.76 1.13 1.08 -0.74 0.19 115.11 115.52 2k85 h GLN 61 Ca 0.22 0.04 0.16 0.00 -1.45 0.00 0.00 58.65 57.62 2k85 h GLN 61 Cb 0.34 0.13 -0.05 0.00 -0.05 0.00 0.00 27.48 27.85 2k85 h GLN 61 CO -0.43 -0.37 0.51 1.25 -0.95 0.00 0.00 178.83 178.85 2k85 h HIS 62 N -0.57 0.44 -0.67 2.96 2.76 -0.79 0.26 115.15 119.54 2k85 h HIS 62 Ca -0.00 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.22 2k85 h HIS 62 Cb 0.59 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.36 2k85 h HIS 62 CO -0.44 0.16 0.41 0.82 -1.30 0.00 0.00 177.93 177.58 2k85 h ILE 63 N 0.37 1.06 -0.05 6.26 1.08 0.65 0.83 117.51 127.72 2k85 h ILE 63 Ca 0.37 -0.27 -0.00 0.00 -0.39 0.00 0.00 64.86 64.57 2k85 h ILE 63 Cb 0.92 0.21 -0.00 0.00 -3.07 0.00 0.00 36.82 34.87 2k85 h ILE 63 CO -0.11 0.14 0.03 -0.74 -0.69 0.00 0.00 178.15 176.78 2k85 h HIS 64 N 0.79 0.06 -0.82 1.37 -0.00 0.14 -2.31 115.15 114.38 2k85 h HIS 64 Ca 0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.63 2k85 h HIS 64 Cb 0.05 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 27.40 2k85 h HIS 64 CO -0.05 0.08 0.46 0.00 -0.00 0.00 0.00 177.93 178.41 2k85 h ARG 65 N 0.03 1.14 0.00 5.26 2.47 -0.31 0.32 114.38 123.29 2k85 h ARG 65 Ca 0.02 -0.13 0.00 0.00 -1.26 0.00 0.00 59.98 58.61 2k85 h ARG 65 Cb 0.03 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.13 2k85 h ARG 65 CO -0.00 0.83 0.00 1.28 0.56 0.00 0.00 179.97 182.64 2k85 n LEU 66 N -4.41 0.00 -0.04 3.04 7.99 0.28 -1.21 117.00 122.65 2k85 n LEU 66 Ca 0.08 0.74 -0.15 0.00 -0.01 0.00 0.00 56.01 56.68 2k85 n LEU 66 Cb 0.09 -0.24 -0.09 0.00 -0.11 0.00 0.00 43.42 43.06 2k85 n LEU 66 CO 0.38 -0.24 0.51 0.11 -1.51 0.00 0.00 177.39 176.64 2k85 h LYS 67 N 0.00 -0.51 -1.48 3.23 1.57 -0.98 -3.39 116.57 115.01 2k85 h LYS 67 Ca 0.00 0.03 -0.26 0.00 -1.87 0.00 0.00 60.65 58.55 2k85 h LYS 67 Cb 0.00 0.12 -0.24 0.00 0.08 0.00 0.00 32.23 32.18 2k85 h LYS 67 CO 0.00 -0.34 -0.62 -3.38 -0.57 0.00 0.00 179.45 174.54 2k85 s HIS 68 N -5.72 -0.83 -1.71 -1.35 -3.43 0.11 -5.11 115.29 97.25 2k85 s HIS 68 Ca -0.15 -0.76 0.00 0.00 -0.80 0.00 0.00 55.06 53.35 2k85 s HIS 68 Cb 0.08 -0.08 0.00 0.00 -1.43 0.00 0.00 32.58 31.14 2k85 s HIS 68 CO 0.62 -1.10 0.43 -1.91 -2.00 0.00 0.00 174.74 170.77