#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 0.00 -0.68 1.43 5.75 -2.06 -2.37 115.11 117.19 2k85 h GLN 6 Ca 0.00 0.00 0.07 0.00 -0.15 0.00 0.00 58.65 58.57 2k85 h GLN 6 Cb 0.00 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.51 2k85 h GLN 6 CO 0.00 0.00 0.45 0.37 -2.65 0.00 0.00 178.83 177.00 2k85 h GLN 7 N 0.00 0.63 0.00 1.69 5.75 -2.04 -0.40 115.11 120.74 2k85 h GLN 7 Ca 0.04 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.48 2k85 h GLN 7 Cb 0.22 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 28.63 2k85 h GLN 7 CO -0.00 0.41 -0.13 0.82 -2.65 0.00 0.00 178.83 177.28 2k85 h ILE 8 N 0.64 0.58 0.00 2.39 2.04 -1.86 -0.42 117.51 120.88 2k85 h ILE 8 Ca 0.30 -0.60 -0.19 0.00 1.00 0.00 0.00 64.86 65.37 2k85 h ILE 8 Cb 0.33 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 2k85 h ILE 8 CO -0.10 0.13 -1.09 0.00 0.00 0.00 0.00 178.15 177.09 2k85 h ALA 9 N 1.87 0.22 -0.26 1.87 0.00 -1.27 -3.31 119.26 118.38 2k85 h ALA 9 Ca -0.00 -1.08 -0.16 0.00 0.00 0.00 0.00 54.91 53.67 2k85 h ALA 9 Cb 0.38 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2k85 h ALA 9 CO 0.02 0.63 -0.47 1.79 0.00 0.00 0.00 179.25 181.22 2k85 h THR 10 N -1.00 1.30 -0.62 0.00 1.35 -1.31 0.37 112.91 112.99 2k85 h THR 10 Ca -0.29 -1.67 -0.04 0.00 -0.55 0.00 0.00 66.41 63.86 2k85 h THR 10 Cb 1.19 1.60 -0.03 0.00 -1.73 0.00 0.00 68.15 69.18 2k85 h THR 10 CO -0.17 0.53 0.21 0.00 -0.25 0.00 0.00 175.52 175.84 2k85 h ALA 11 N 0.93 0.81 -0.18 6.62 0.00 -1.28 0.28 119.26 126.44 2k85 h ALA 11 Ca 0.03 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 2k85 h ALA 11 Cb 1.02 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2k85 h ALA 11 CO 0.10 0.46 -0.16 -0.22 0.00 0.00 0.00 179.25 179.43 2k85 h LYS 12 N 0.88 0.42 -0.29 0.00 3.64 -1.60 0.93 116.57 120.55 2k85 h LYS 12 Ca 0.20 -0.22 0.04 0.00 -1.27 0.00 0.00 60.65 59.40 2k85 h LYS 12 Cb 0.26 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 2k85 h LYS 12 CO -0.01 0.78 0.07 0.22 -2.27 0.00 0.00 179.45 178.24 2k85 h ASP 13 N 0.08 0.04 -0.06 4.20 1.82 -0.04 0.44 116.42 122.90 2k85 h ASP 13 Ca 0.03 0.04 -0.16 0.00 -0.39 0.00 0.00 57.03 56.55 2k85 h ASP 13 Cb 0.69 0.05 -0.00 0.00 0.68 0.00 0.00 39.33 40.74 2k85 h ASP 13 CO 0.04 0.06 -0.53 0.50 -1.61 0.00 0.00 179.24 177.70 2k85 h LYS 14 N 0.18 0.64 -0.98 0.28 3.64 -0.48 -2.45 116.57 117.40 2k85 h LYS 14 Ca 0.13 -0.40 0.06 0.00 -1.27 0.00 0.00 60.65 59.17 2k85 h LYS 14 Cb 0.13 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.92 2k85 h LYS 14 CO -0.16 1.01 0.63 -0.92 -2.27 0.00 0.00 179.45 177.74 2k85 h TYR 15 N 0.50 1.18 -0.46 1.91 3.20 -0.08 0.67 116.97 123.90 2k85 h TYR 15 Ca 0.01 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.92 2k85 h TYR 15 Cb 1.09 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 2k85 h TYR 15 CO 0.05 0.62 0.30 0.93 -1.64 0.00 0.00 178.16 178.43 2k85 h GLU 16 N 1.17 0.58 -0.15 1.82 5.08 0.16 0.22 114.58 123.46 2k85 h GLU 16 Ca 0.42 -0.04 -0.21 0.00 -1.00 0.00 0.00 59.36 58.53 2k85 h GLU 16 Cb 0.13 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.26 2k85 h GLU 16 CO -0.16 0.39 -0.74 2.35 -1.00 0.00 0.00 179.01 179.85 2k85 h TRP 17 N 0.60 1.03 -0.63 4.33 7.01 -0.33 -2.54 115.95 125.42 2k85 h TRP 17 Ca 0.17 -0.45 0.13 0.00 2.11 0.00 0.00 58.89 60.85 2k85 h TRP 17 Cb -0.04 -0.16 -0.10 0.00 -2.10 0.00 0.00 29.16 26.76 2k85 h TRP 17 CO -0.00 1.28 0.08 -0.07 -2.79 0.00 0.00 178.44 176.94 2k85 h LEU 18 N 0.48 -0.12 -0.16 0.65 -0.00 0.22 1.32 115.31 117.70 2k85 h LEU 18 Ca -0.05 0.14 0.02 0.00 -0.00 0.00 0.00 57.88 57.99 2k85 h LEU 18 Cb 1.37 0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 42.22 2k85 h LEU 18 CO 0.15 -0.06 0.04 0.58 -0.00 0.00 0.00 178.44 179.15 2k85 h VAL 19 N 0.19 0.94 0.00 1.22 2.07 -0.73 -1.53 116.25 118.42 2k85 h VAL 19 Ca 0.34 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.82 2k85 h VAL 19 Cb 0.54 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2k85 h VAL 19 CO -0.48 0.02 0.00 0.77 0.02 0.00 0.00 177.57 177.90 2k85 h SER 20 N 0.10 0.00 1.36 0.57 4.64 -0.10 0.79 113.55 120.91 2k85 h SER 20 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2k85 h SER 20 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2k85 h SER 20 CO -0.09 0.00 -0.58 0.08 -0.87 0.00 0.00 176.83 175.37 2k85 h ARG 21 N 0.00 0.00 0.00 4.77 0.11 0.20 -3.41 114.38 116.05 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 0.44 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.52 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 0.55 -2.29 0.08 2.08 -0.62 -4.93 119.36 111.45 2k85 n ILE 22 Ca 0.02 0.27 -0.42 0.00 0.56 0.00 0.00 62.75 63.18 2k85 n ILE 22 Cb 0.53 -1.57 -0.02 0.00 -0.75 0.00 0.00 39.64 37.82 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 3.76 -0.03 1.39 1.01 0.27 -4.81 120.40 120.38 2k85 s VAL 23 Ca -0.06 0.71 -0.03 0.00 0.00 0.00 0.00 61.98 62.59 2k85 s VAL 23 Cb 0.01 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 2k85 s VAL 23 CO 0.10 -0.87 -0.07 1.17 0.00 0.00 0.00 175.10 175.42 2k85 n LYS 24 N 8.43 0.12 -0.13 2.72 3.00 -1.26 -4.13 118.16 126.90 2k85 n LYS 24 Ca 0.16 0.05 0.07 0.00 -0.00 0.00 0.00 58.31 58.59 2k85 n LYS 24 Cb 0.49 -0.70 0.23 0.00 0.00 0.00 0.00 35.03 35.04 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 -3.39 1.63 0.00 3.14 0.23 -1.26 -4.89 115.26 110.72 2k85 n ASN 25 Ca -0.09 -1.88 0.00 0.00 -0.53 0.00 0.00 54.58 52.07 2k85 n ASN 25 Cb 0.45 -0.17 0.00 0.00 -2.08 0.00 0.00 39.78 37.98 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 0.35 0.00 0.05 -2.53 1.44 -1.26 -4.75 115.22 108.52 2k85 n HIS 26 Ca 0.13 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.77 2k85 n HIS 26 Cb 0.28 -0.71 0.04 0.00 0.12 0.00 0.00 29.99 29.71 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 4.13 -4.40 4.39 3.02 -1.26 -4.83 115.26 116.31 2k85 n ASN 27 Ca 0.00 -2.52 -0.23 0.00 -0.03 0.00 0.00 54.58 51.80 2k85 n ASN 27 Cb 0.00 -0.76 0.12 0.00 -0.61 0.00 0.00 39.78 38.53 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 0.37 -0.18 -3.90 3.52 -0.58 -1.26 -5.10 120.64 113.50 2k85 n GLU 28 Ca 0.15 -2.56 -0.29 0.00 -0.42 0.00 0.00 57.16 54.04 2k85 n GLU 28 Cb 0.71 -0.70 -0.16 0.00 -0.57 0.00 0.00 31.44 30.72 2k85 n GLU 28 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2k85 s ASN 29 N -4.98 3.11 0.23 1.62 0.01 -1.26 -5.05 114.94 108.63 2k85 s ASN 29 Ca 0.64 -0.81 -0.11 0.00 -0.71 0.00 0.00 52.86 51.87 2k85 s ASN 29 Cb -0.03 -0.98 0.31 0.00 0.41 0.00 0.00 41.25 40.95 2k85 s ASN 29 CO 0.43 -0.20 1.38 1.87 -1.51 0.00 0.00 177.10 179.07 2k85 n TRP 30 N 4.82 0.17 0.05 2.20 -0.00 -1.26 -0.46 117.44 122.96 2k85 n TRP 30 Ca -0.12 1.09 -0.12 0.00 -0.00 0.00 0.00 57.50 58.35 2k85 n TRP 30 Cb 0.47 -0.92 -0.07 0.00 -0.00 0.00 0.00 31.31 30.78 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 -0.03 -1.03 5.87 -0.00 -1.98 0.24 115.31 118.39 2k85 h LEU 31 Ca 0.37 -0.05 -0.00 0.00 -0.00 0.00 0.00 57.88 58.20 2k85 h LEU 31 Cb 0.59 0.01 -0.04 0.00 -0.00 0.00 0.00 40.66 41.21 2k85 h LEU 31 CO -0.90 0.03 0.56 0.28 -0.00 0.00 0.00 178.44 178.41 2k85 h SER 32 N -0.08 1.08 1.11 -0.43 0.02 -1.20 0.13 113.55 114.18 2k85 h SER 32 Ca -0.00 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 2k85 h SER 32 Cb 0.07 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.34 2k85 h SER 32 CO 0.01 0.82 -0.03 -0.37 -1.14 0.00 0.00 176.83 176.11 2k85 h VAL 33 N 1.25 0.08 0.05 2.27 -1.51 -0.27 -1.76 116.25 116.37 2k85 h VAL 33 Ca 0.33 -0.66 -0.23 0.00 -1.23 0.00 0.00 66.70 64.91 2k85 h VAL 33 Cb -0.08 1.60 -0.01 0.00 -2.13 0.00 0.00 31.29 30.68 2k85 h VAL 33 CO -0.06 0.03 -1.03 0.28 -1.23 0.00 0.00 177.57 175.56 2k85 h SER 34 N 0.00 0.33 -0.13 4.19 0.02 0.75 0.42 113.55 119.13 2k85 h SER 34 Ca -0.00 -0.31 0.04 0.00 -0.84 0.00 0.00 61.79 60.68 2k85 h SER 34 Cb 0.60 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.98 2k85 h SER 34 CO 0.00 1.17 -0.18 0.03 -1.14 0.00 0.00 176.83 176.71 2k85 h ARG 35 N 0.11 -0.22 0.25 3.45 2.47 -0.15 0.60 114.38 120.88 2k85 h ARG 35 Ca -0.08 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.65 2k85 h ARG 35 Cb 1.71 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 30.07 2k85 h ARG 35 CO 0.16 -0.14 -0.20 0.87 0.56 0.00 0.00 179.97 181.22 2k85 h LYS 36 N -0.23 -0.42 -0.04 0.04 1.79 -1.34 -3.27 116.57 113.11 2k85 h LYS 36 Ca 0.10 0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.61 2k85 h LYS 36 Cb 0.37 0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.11 2k85 h LYS 36 CO -0.26 -0.28 0.05 0.52 -1.08 0.00 0.00 179.45 178.40 2k85 h MET 37 N -0.43 0.00 0.00 3.15 2.86 0.00 -2.52 114.93 117.99 2k85 h MET 37 Ca -0.03 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2k85 h MET 37 Cb 0.36 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.02 2k85 h MET 37 CO 0.00 0.00 -0.06 -0.56 1.06 0.00 0.00 176.91 177.35 2k85 h GLN 38 N 0.00 0.00 0.00 1.72 -0.00 0.16 0.30 115.11 117.29 2k85 h GLN 38 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.67 2k85 h GLN 38 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.59 2k85 h GLN 38 CO -0.00 0.06 0.00 0.00 -0.00 0.00 0.00 178.83 178.89 2k85 n ALA 39 N -2.32 2.29 -3.67 0.06 0.00 -0.95 -4.62 120.51 111.31 2k85 n ALA 39 Ca -0.02 -0.07 -0.33 0.00 0.00 0.00 0.00 53.44 53.01 2k85 n ALA 39 Cb 0.15 -1.19 -0.16 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.65 3.32 0.31 0.00 0.01 0.11 -5.01 113.70 110.79 2k85 s SER 40 Ca 0.17 -0.56 0.03 0.00 1.31 0.00 0.00 55.95 56.90 2k85 s SER 40 Cb 0.08 -1.50 0.61 0.00 0.21 0.00 0.00 66.02 65.43 2k85 s SER 40 CO 0.13 0.07 1.87 1.55 0.41 0.00 0.00 173.24 177.27 2k85 h PRO 41 N 7.44 0.90 -0.73 12.44 0.13 -1.82 -1.99 132.00 148.37 2k85 h PRO 41 Ca -0.35 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 64.68 2k85 h PRO 41 Cb 1.18 -0.20 -0.03 0.00 0.13 0.00 0.00 31.00 32.08 2k85 h PRO 41 CO 0.57 0.60 0.25 0.93 -0.23 0.00 0.00 178.00 180.12 2k85 h GLU 42 N 0.93 1.10 0.54 0.86 4.39 -1.95 0.58 114.58 121.03 2k85 h GLU 42 Ca 0.45 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.92 2k85 h GLU 42 Cb 0.45 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 2k85 h GLU 42 CO -0.21 0.92 -0.39 -0.92 -1.16 0.00 0.00 179.01 177.25 2k85 h TYR 43 N 1.07 -1.04 0.00 4.33 3.20 -1.61 -2.58 116.97 120.34 2k85 h TYR 43 Ca 0.24 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.08 2k85 h TYR 43 Cb 0.26 0.38 -0.00 0.00 1.54 0.00 0.00 36.73 38.91 2k85 h TYR 43 CO 0.02 -0.57 -0.13 -0.56 -1.64 0.00 0.00 178.16 175.29 2k85 h GLN 44 N -0.90 0.00 -0.34 1.82 3.07 -1.10 -1.91 115.11 115.76 2k85 h GLN 44 Ca -0.06 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.62 2k85 h GLN 44 Cb 0.75 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.30 2k85 h GLN 44 CO 0.02 0.13 -0.01 -0.44 0.09 0.00 0.00 178.83 178.63 2k85 h ASP 45 N 0.00 0.60 -0.24 0.06 3.32 0.16 0.14 116.42 120.45 2k85 h ASP 45 Ca -0.00 -0.31 -0.10 0.00 0.02 0.00 0.00 57.03 56.63 2k85 h ASP 45 Cb 0.97 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.34 2k85 h ASP 45 CO 0.02 0.76 -0.20 0.22 -1.72 0.00 0.00 179.24 178.33 2k85 h TYR 46 N 0.41 0.77 0.00 4.55 3.20 -1.14 -1.68 116.97 123.09 2k85 h TYR 46 Ca 0.10 -0.16 -0.06 0.00 3.14 0.00 0.00 58.73 61.74 2k85 h TYR 46 Cb 0.46 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 2k85 h TYR 46 CO 0.04 0.83 -0.30 0.28 -1.64 0.00 0.00 178.16 177.37 2k85 h VAL 47 N 0.61 0.66 -0.01 1.81 2.07 -1.23 0.52 116.25 120.68 2k85 h VAL 47 Ca 0.09 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.17 2k85 h VAL 47 Cb 0.67 1.95 -0.00 0.00 -1.52 0.00 0.00 31.29 32.39 2k85 h VAL 47 CO 0.05 0.30 -0.02 0.22 0.02 0.00 0.00 177.57 178.14 2k85 h TYR 48 N 0.00 0.04 0.32 1.57 3.20 -0.28 -2.13 116.97 119.69 2k85 h TYR 48 Ca -0.00 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 2k85 h TYR 48 Cb 0.93 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.20 2k85 h TYR 48 CO 0.00 0.56 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.86 2k85 h LEU 49 N -0.49 -0.37 0.00 2.82 3.38 -1.24 -3.42 115.31 115.98 2k85 h LEU 49 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2k85 h LEU 49 Cb 0.56 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2k85 h LEU 49 CO 0.00 -0.21 0.00 -0.62 0.09 0.00 0.00 178.44 177.71 2k85 n GLU 50 N -3.48 0.00 0.00 1.13 -0.58 0.17 -5.11 120.64 112.77 2k85 n GLU 50 Ca -0.05 0.33 0.00 0.00 -0.42 0.00 0.00 57.16 57.02 2k85 n GLU 50 Cb 0.17 -0.81 0.00 0.00 -0.57 0.00 0.00 31.44 30.23 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 1.98 3.18 0.20 0.62 0.00 -0.80 -4.92 105.19 105.44 2k85 n GLY 51 Ca 0.00 -1.37 -0.03 0.00 0.00 0.00 0.00 46.02 44.62 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 1.00 1.32 -0.27 2.61 2.02 -1.91 -2.18 112.91 115.49 2k85 h THR 52 Ca 0.00 -1.58 -0.08 0.00 0.77 0.00 0.00 66.41 65.53 2k85 h THR 52 Cb 0.00 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 2k85 h THR 52 CO 0.00 0.48 -0.12 1.56 0.37 0.00 0.00 175.52 177.80 2k85 h GLN 53 N 0.24 0.57 -0.56 6.66 4.20 -1.96 0.22 115.11 124.49 2k85 h GLN 53 Ca 0.02 -0.24 -0.09 0.00 0.06 0.00 0.00 58.65 58.39 2k85 h GLN 53 Cb 0.86 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.60 2k85 h GLN 53 CO 0.07 0.81 -0.02 0.87 -0.67 0.00 0.00 178.83 179.88 2k85 h LYS 54 N 0.31 0.97 -0.66 1.46 1.57 -1.91 -1.31 116.57 117.01 2k85 h LYS 54 Ca 0.06 -0.31 -0.04 0.00 -1.87 0.00 0.00 60.65 58.50 2k85 h LYS 54 Cb 0.63 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 2k85 h LYS 54 CO 0.04 0.97 0.25 0.00 -0.57 0.00 0.00 179.45 180.14 2k85 h ALA 55 N 1.07 1.21 0.32 3.86 0.00 -1.18 0.21 119.26 124.75 2k85 h ALA 55 Ca 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2k85 h ALA 55 Cb 0.55 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2k85 h ALA 55 CO 0.03 0.57 -0.15 -0.22 0.00 0.00 0.00 179.25 179.48 2k85 h LYS 56 N 0.95 -0.42 -0.68 0.00 3.64 -0.09 0.41 116.57 120.38 2k85 h LYS 56 Ca 0.22 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.72 2k85 h LYS 56 Cb 0.20 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 2k85 h LYS 56 CO -0.02 -0.25 0.45 0.87 -2.27 0.00 0.00 179.45 178.24 2k85 h LYS 57 N -0.48 0.55 -0.40 1.90 1.57 -0.97 0.46 116.57 119.20 2k85 h LYS 57 Ca -0.04 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.60 2k85 h LYS 57 Cb 0.36 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2k85 h LYS 57 CO 0.07 0.36 -0.15 1.25 -0.57 0.00 0.00 179.45 180.41 2k85 h LEU 58 N 0.57 0.83 0.00 2.94 5.85 -0.24 0.01 115.31 125.27 2k85 h LEU 58 Ca 0.31 -0.39 0.03 0.00 0.84 0.00 0.00 57.88 58.67 2k85 h LEU 58 Cb 0.46 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 2k85 h LEU 58 CO -0.10 1.03 -0.19 0.15 -0.34 0.00 0.00 178.44 178.99 2k85 h PHE 59 N 0.62 -0.49 -0.07 1.25 3.57 0.15 -1.77 116.94 120.20 2k85 h PHE 59 Ca 0.09 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.65 2k85 h PHE 59 Cb 0.70 0.22 -0.05 0.00 2.79 0.00 0.00 35.95 39.61 2k85 h PHE 59 CO 0.05 -0.27 -0.22 -0.07 -2.23 0.00 0.00 178.31 175.57 2k85 h LEU 60 N -0.31 -0.67 -0.88 0.59 -0.00 -0.00 0.24 115.31 114.28 2k85 h LEU 60 Ca 0.06 0.10 0.02 0.00 -0.00 0.00 0.00 57.88 58.06 2k85 h LEU 60 Cb 0.38 0.29 -0.05 0.00 -0.00 0.00 0.00 40.66 41.28 2k85 h LEU 60 CO -0.17 -0.28 0.58 0.06 -0.00 0.00 0.00 178.44 178.63 2k85 h GLN 61 N -0.31 1.13 -0.62 1.13 3.07 -0.95 -0.51 115.11 118.05 2k85 h GLN 61 Ca 0.08 -0.07 -0.06 0.00 0.09 0.00 0.00 58.65 58.70 2k85 h GLN 61 Cb 0.43 -0.25 -0.03 0.00 0.08 0.00 0.00 27.48 27.71 2k85 h GLN 61 CO -0.25 0.75 0.16 1.25 0.09 0.00 0.00 178.83 180.83 2k85 h HIS 62 N 1.16 1.03 -0.56 0.06 2.76 -0.89 -1.98 115.15 116.73 2k85 h HIS 62 Ca 0.33 -0.12 0.11 0.00 -2.20 0.00 0.00 60.37 58.50 2k85 h HIS 62 Cb -0.09 -0.29 -0.11 0.00 1.55 0.00 0.00 27.41 28.47 2k85 h HIS 62 CO -0.01 0.86 -0.20 0.82 -1.30 0.00 0.00 177.93 178.10 2k85 h ILE 63 N 0.90 0.34 -0.04 6.26 1.08 0.50 0.29 117.51 126.84 2k85 h ILE 63 Ca 0.20 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.70 2k85 h ILE 63 Cb 0.34 0.34 -0.04 0.00 -3.07 0.00 0.00 36.82 34.39 2k85 h ILE 63 CO -0.00 0.00 -0.21 -0.74 -0.69 0.00 0.00 178.15 176.51 2k85 h HIS 64 N -0.07 -0.56 -0.55 1.37 -0.00 -0.65 -0.25 115.15 114.44 2k85 h HIS 64 Ca 0.26 0.02 0.10 0.00 -0.00 0.00 0.00 60.37 60.76 2k85 h HIS 64 Cb 0.47 0.26 -0.08 0.00 -0.00 0.00 0.00 27.41 28.05 2k85 h HIS 64 CO -0.51 -0.30 0.08 0.00 -0.00 0.00 0.00 177.93 177.19 2k85 h ARG 65 N -0.32 0.19 -0.98 5.26 2.47 -0.60 0.60 114.38 121.00 2k85 h ARG 65 Ca 0.07 -0.01 0.18 0.00 -1.26 0.00 0.00 59.98 58.96 2k85 h ARG 65 Cb 0.42 -0.04 -0.09 0.00 -1.65 0.00 0.00 29.97 28.60 2k85 h ARG 65 CO -0.22 0.13 0.61 -0.07 0.56 0.00 0.00 179.97 180.98 2k85 h LEU 66 N 0.20 0.74 0.00 3.04 3.38 0.67 -2.03 115.31 121.30 2k85 h LEU 66 Ca 0.29 0.08 -0.21 0.00 0.09 0.00 0.00 57.88 58.12 2k85 h LEU 66 Cb 0.42 -0.06 0.02 0.00 0.09 0.00 0.00 40.66 41.13 2k85 h LEU 66 CO -0.40 0.29 -0.83 0.11 0.09 0.00 0.00 178.44 177.70 2k85 h LYS 67 N 0.73 0.56 -0.24 1.13 1.57 0.72 -3.47 116.57 117.58 2k85 h LYS 67 Ca 0.54 -0.60 0.24 0.00 -1.87 0.00 0.00 60.65 58.96 2k85 h LYS 67 Cb 0.88 0.17 -0.20 0.00 0.08 0.00 0.00 32.23 33.17 2k85 h LYS 67 CO -0.32 1.22 0.09 -3.38 -0.57 0.00 0.00 179.45 176.49 2k85 s HIS 68 N -3.25 -0.42 -2.07 -1.35 -3.43 0.19 -5.09 115.29 99.87 2k85 s HIS 68 Ca -0.12 0.33 0.31 0.00 -0.80 0.00 0.00 55.06 54.79 2k85 s HIS 68 Cb 0.05 0.10 1.78 0.00 -1.43 0.00 0.00 32.58 33.09 2k85 s HIS 68 CO 0.87 -0.24 2.16 0.39 -2.00 0.00 0.00 174.74 175.92