#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 0.06 0.10 4.33 6.02 -1.26 -3.41 117.38 123.22 2k85 n GLN 6 Ca 0.00 0.12 0.17 0.00 -0.01 0.00 0.00 57.00 57.28 2k85 n GLN 6 Cb 0.00 -1.50 0.71 0.00 1.02 0.00 0.00 30.24 30.47 2k85 n GLN 6 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 2k85 h GLN 7 N 0.00 0.00 -0.04 -1.09 5.75 -2.02 0.16 115.11 117.87 2k85 h GLN 7 Ca 0.00 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.51 2k85 h GLN 7 Cb 0.34 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.88 2k85 h GLN 7 CO 0.00 0.00 0.07 0.82 -2.65 0.00 0.00 178.83 177.07 2k85 h ILE 8 N 0.00 0.34 0.00 2.39 2.04 -2.00 -2.09 117.51 118.19 2k85 h ILE 8 Ca 0.16 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.89 2k85 h ILE 8 Cb 0.69 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 2k85 h ILE 8 CO -0.00 0.00 -1.32 0.00 0.00 0.00 0.00 178.15 176.82 2k85 n ALA 9 N -2.23 2.36 0.04 1.87 0.00 0.33 -4.61 120.51 118.26 2k85 n ALA 9 Ca -0.02 -0.36 -0.03 0.00 0.00 0.00 0.00 53.44 53.03 2k85 n ALA 9 Cb 0.16 0.34 0.21 0.00 0.00 0.00 0.00 19.45 20.16 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 -0.34 1.27 -0.34 0.00 1.35 -0.92 0.46 112.91 114.39 2k85 h THR 10 Ca -0.20 -1.32 -0.02 0.00 -0.55 0.00 0.00 66.41 64.32 2k85 h THR 10 Cb 1.06 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 68.90 2k85 h THR 10 CO -0.12 0.41 0.12 0.00 -0.25 0.00 0.00 175.52 175.68 2k85 h ALA 11 N 1.33 0.44 0.39 6.62 0.00 -1.58 0.20 119.26 126.66 2k85 h ALA 11 Ca 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2k85 h ALA 11 Cb 0.70 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2k85 h ALA 11 CO 0.05 0.05 -0.19 -0.22 0.00 0.00 0.00 179.25 178.95 2k85 h LYS 12 N 0.39 -0.50 -0.88 0.00 3.64 -1.61 0.38 116.57 118.00 2k85 h LYS 12 Ca 0.11 0.03 0.18 0.00 -1.27 0.00 0.00 60.65 59.70 2k85 h LYS 12 Cb 0.21 0.11 -0.11 0.00 -0.41 0.00 0.00 32.23 32.03 2k85 h LYS 12 CO -0.01 -0.21 0.43 0.22 -2.27 0.00 0.00 179.45 177.61 2k85 h ASP 13 N -0.76 0.47 -0.22 4.20 3.58 -0.02 0.99 116.42 124.66 2k85 h ASP 13 Ca -0.05 0.12 -0.19 0.00 0.42 0.00 0.00 57.03 57.33 2k85 h ASP 13 Cb 0.52 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.63 2k85 h ASP 13 CO 0.09 0.14 -0.59 0.50 -2.88 0.00 0.00 179.24 176.50 2k85 h LYS 14 N 0.54 0.78 -0.89 0.28 3.64 -0.56 -2.07 116.57 118.30 2k85 h LYS 14 Ca 0.51 -0.55 0.11 0.00 -1.27 0.00 0.00 60.65 59.45 2k85 h LYS 14 Cb 0.83 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.66 2k85 h LYS 14 CO -0.43 1.17 0.52 -0.92 -2.27 0.00 0.00 179.45 177.53 2k85 h TYR 15 N 0.52 0.94 -0.21 1.91 3.20 0.12 0.32 116.97 123.78 2k85 h TYR 15 Ca -0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2k85 h TYR 15 Cb 1.21 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 2k85 h TYR 15 CO 0.08 0.36 0.14 0.93 -1.64 0.00 0.00 178.16 178.04 2k85 h GLU 16 N 0.84 0.27 -0.06 1.82 5.08 0.13 0.32 114.58 122.98 2k85 h GLU 16 Ca 0.44 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.64 2k85 h GLU 16 Cb 0.44 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.64 2k85 h GLU 16 CO -0.27 0.18 -0.53 2.35 -1.00 0.00 0.00 179.01 179.74 2k85 h TRP 17 N 0.28 0.65 -0.53 4.33 7.01 -0.22 -2.44 115.95 125.02 2k85 h TRP 17 Ca 0.08 -0.31 0.11 0.00 2.11 0.00 0.00 58.89 60.87 2k85 h TRP 17 Cb -0.02 -0.09 -0.11 0.00 -2.10 0.00 0.00 29.16 26.85 2k85 h TRP 17 CO -0.00 1.10 -0.20 -0.07 -2.79 0.00 0.00 178.44 176.48 2k85 h LEU 18 N 0.01 -0.71 -1.07 0.65 -0.00 0.19 1.52 115.31 115.90 2k85 h LEU 18 Ca -0.05 0.18 -0.07 0.00 -0.00 0.00 0.00 57.88 57.94 2k85 h LEU 18 Cb 1.21 0.41 -0.02 0.00 -0.00 0.00 0.00 40.66 42.25 2k85 h LEU 18 CO 0.11 -0.23 -0.06 1.62 -0.00 0.00 0.00 178.44 179.88 2k85 h VAL 19 N -0.08 1.23 0.00 1.22 3.04 -0.57 -1.67 116.25 119.42 2k85 h VAL 19 Ca 0.25 -0.96 -0.02 0.00 -1.01 0.00 0.00 66.70 64.96 2k85 h VAL 19 Cb 0.46 1.02 -0.00 0.00 -2.01 0.00 0.00 31.29 30.76 2k85 h VAL 19 CO -0.58 0.32 -0.11 0.77 -1.01 0.00 0.00 177.57 176.96 2k85 h SER 20 N 0.55 0.00 1.67 3.17 4.64 -0.23 0.39 113.55 123.74 2k85 h SER 20 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2k85 h SER 20 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2k85 h SER 20 CO 0.02 0.11 -0.28 0.08 -0.87 0.00 0.00 176.83 175.89 2k85 h ARG 21 N 0.00 0.00 0.00 4.77 0.11 0.29 -3.38 114.38 116.17 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 0.96 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.04 2k85 h ARG 21 CO 0.01 0.00 -0.34 -0.89 0.10 0.00 0.00 179.97 178.86 2k85 n ILE 22 N -2.91 0.53 -2.04 0.08 2.08 -0.80 -4.95 119.36 111.36 2k85 n ILE 22 Ca 0.03 0.36 -0.42 0.00 0.56 0.00 0.00 62.75 63.28 2k85 n ILE 22 Cb 0.53 -1.77 -0.03 0.00 -0.75 0.00 0.00 39.64 37.62 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 -1.66 3.32 0.00 1.39 1.01 0.12 -4.85 120.40 119.73 2k85 s VAL 23 Ca -0.10 0.73 0.00 0.00 0.00 0.00 0.00 61.98 62.61 2k85 s VAL 23 Cb 0.01 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.93 2k85 s VAL 23 CO 0.14 -0.01 0.00 1.17 0.00 0.00 0.00 175.10 176.41 2k85 n LYS 24 N 5.62 0.00 0.00 2.72 3.00 -1.26 -4.43 118.16 123.81 2k85 n LYS 24 Ca 0.15 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.58 2k85 n LYS 24 Cb 0.42 -0.64 0.12 0.00 0.00 0.00 0.00 35.03 34.93 2k85 n LYS 24 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2k85 n ASN 25 N -2.26 2.25 0.00 3.14 2.85 -1.26 -4.92 115.26 115.06 2k85 n ASN 25 Ca 0.00 -1.63 0.00 0.00 -0.11 0.00 0.00 54.58 52.84 2k85 n ASN 25 Cb 0.28 0.22 0.00 0.00 1.24 0.00 0.00 39.78 41.52 2k85 n ASN 25 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k85 n HIS 26 N 0.45 0.00 -0.42 1.20 1.44 -1.26 -4.73 115.22 111.90 2k85 n HIS 26 Ca 0.12 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.88 2k85 n HIS 26 Cb 0.50 -1.30 0.30 0.00 0.12 0.00 0.00 29.99 29.61 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 4.55 -4.72 4.39 3.02 -1.26 -4.88 115.26 116.36 2k85 n ASN 27 Ca 0.00 -2.70 -0.26 0.00 -0.03 0.00 0.00 54.58 51.59 2k85 n ASN 27 Cb 0.00 -0.64 0.10 0.00 -0.61 0.00 0.00 39.78 38.63 2k85 n ASN 27 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2k85 s GLU 28 N -2.32 1.79 -0.07 3.52 8.01 -1.26 -5.11 118.70 123.25 2k85 s GLU 28 Ca 0.41 -0.48 0.03 0.00 0.01 0.00 0.00 54.97 54.94 2k85 s GLU 28 Cb 0.31 -2.15 0.01 0.00 -4.31 0.00 0.00 34.13 27.99 2k85 s GLU 28 CO 0.12 -1.50 -0.16 -0.80 0.01 0.00 0.00 175.26 172.93 2k85 s ASN 29 N -4.64 2.17 0.21 -0.19 0.01 -1.26 -5.05 114.94 106.20 2k85 s ASN 29 Ca 0.64 -0.37 -0.16 0.00 -0.71 0.00 0.00 52.86 52.25 2k85 s ASN 29 Cb -0.08 -0.93 0.21 0.00 0.41 0.00 0.00 41.25 40.86 2k85 s ASN 29 CO 0.46 0.09 1.60 -0.25 -1.51 0.00 0.00 177.10 177.48 2k85 h TRP 30 N 6.77 -0.66 -0.49 2.20 2.91 -1.97 0.23 115.95 124.94 2k85 h TRP 30 Ca -0.28 0.07 -0.01 0.00 1.13 0.00 0.00 58.89 59.80 2k85 h TRP 30 Cb 1.20 0.39 -0.02 0.00 -0.51 0.00 0.00 29.16 30.22 2k85 h TRP 30 CO 0.47 -0.35 0.26 -0.07 -1.03 0.00 0.00 178.44 177.73 2k85 h LEU 31 N -0.08 0.63 -0.81 0.65 -0.00 -1.98 0.57 115.31 114.29 2k85 h LEU 31 Ca 0.29 -0.10 -0.08 0.00 -0.00 0.00 0.00 57.88 57.99 2k85 h LEU 31 Cb 0.54 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 41.02 2k85 h LEU 31 CO -0.72 0.55 0.02 0.28 -0.00 0.00 0.00 178.44 178.56 2k85 h SER 32 N 0.66 0.88 1.35 -0.43 0.02 -1.68 -0.08 113.55 114.27 2k85 h SER 32 Ca 0.17 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2k85 h SER 32 Cb 0.07 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.37 2k85 h SER 32 CO -0.03 0.93 0.00 -0.37 -1.14 0.00 0.00 176.83 176.22 2k85 h VAL 33 N 0.85 0.00 -0.17 2.27 -1.51 0.41 -1.98 116.25 116.11 2k85 h VAL 33 Ca 0.16 -0.66 -0.20 0.00 -1.23 0.00 0.00 66.70 64.78 2k85 h VAL 33 Cb 0.48 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 2k85 h VAL 33 CO 0.02 0.00 -0.68 0.28 -1.23 0.00 0.00 177.57 175.96 2k85 h SER 34 N 0.00 0.78 -0.28 4.19 0.02 0.63 0.40 113.55 119.29 2k85 h SER 34 Ca 0.00 -0.47 0.05 0.00 -0.84 0.00 0.00 61.79 60.53 2k85 h SER 34 Cb 0.67 -0.23 -0.08 0.00 0.14 0.00 0.00 62.40 62.91 2k85 h SER 34 CO 0.00 1.24 -0.49 0.03 -1.14 0.00 0.00 176.83 176.48 2k85 h ARG 35 N 0.48 -0.43 0.33 3.45 2.47 -0.38 0.25 114.38 120.56 2k85 h ARG 35 Ca -0.02 0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 2k85 h ARG 35 Cb 1.28 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 29.68 2k85 h ARG 35 CO 0.13 -0.29 -0.33 0.87 0.56 0.00 0.00 179.97 180.92 2k85 h LYS 36 N -0.45 -0.64 0.00 0.04 1.57 -1.33 -3.15 116.57 112.62 2k85 h LYS 36 Ca 0.08 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2k85 h LYS 36 Cb 0.62 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2k85 h LYS 36 CO -0.51 -0.43 0.00 0.52 -0.57 0.00 0.00 179.45 178.46 2k85 h MET 37 N -0.66 0.00 0.00 3.15 2.86 0.00 -2.71 114.93 117.57 2k85 h MET 37 Ca -0.04 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2k85 h MET 37 Cb 0.57 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.23 2k85 h MET 37 CO -0.04 0.00 -0.12 -0.56 1.06 0.00 0.00 176.91 177.25 2k85 h GLN 38 N 0.00 0.00 -1.00 1.72 -0.00 -0.46 -0.68 115.11 114.70 2k85 h GLN 38 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2k85 h GLN 38 Cb 0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.55 2k85 h GLN 38 CO 0.00 0.12 0.01 0.00 -0.00 0.00 0.00 178.83 178.95 2k85 n ALA 39 N -2.24 2.54 -3.72 0.06 0.00 -1.02 -4.69 120.51 111.44 2k85 n ALA 39 Ca -0.01 -0.05 -0.20 0.00 0.00 0.00 0.00 53.44 53.18 2k85 n ALA 39 Cb 0.26 -1.01 -0.17 0.00 0.00 0.00 0.00 19.45 18.54 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 0.41 1.08 0.32 0.00 0.01 -0.26 -5.03 113.70 110.22 2k85 s SER 40 Ca 0.01 -0.03 0.05 0.00 1.31 0.00 0.00 55.95 57.30 2k85 s SER 40 Cb 0.01 -0.30 0.69 0.00 0.21 0.00 0.00 66.02 66.63 2k85 s SER 40 CO 0.00 -0.17 1.86 1.55 0.41 0.00 0.00 173.24 176.89 2k85 h PRO 41 N 7.96 0.82 -0.48 12.44 0.13 -1.84 -2.40 132.00 148.64 2k85 h PRO 41 Ca -0.26 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 64.78 2k85 h PRO 41 Cb 1.13 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 32.05 2k85 h PRO 41 CO 0.31 0.54 0.14 0.93 -0.23 0.00 0.00 178.00 179.69 2k85 h GLU 42 N 0.84 0.75 -0.53 0.86 3.07 -1.96 0.32 114.58 117.93 2k85 h GLU 42 Ca 0.46 -0.16 -0.00 0.00 -0.50 0.00 0.00 59.36 59.16 2k85 h GLU 42 Cb 0.58 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.36 2k85 h GLU 42 CO -0.23 0.71 0.33 -0.92 -1.40 0.00 0.00 179.01 177.50 2k85 h TYR 43 N 0.64 0.69 0.50 4.33 3.20 -1.68 -0.16 116.97 124.49 2k85 h TYR 43 Ca 0.15 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 2k85 h TYR 43 Cb 0.28 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 2k85 h TYR 43 CO 0.02 0.47 -0.34 1.96 -1.64 0.00 0.00 178.16 178.63 2k85 h GLN 44 N 0.71 -0.76 -0.57 1.82 1.08 -1.01 -1.71 115.11 114.66 2k85 h GLN 44 Ca 0.19 0.05 0.12 0.00 -1.45 0.00 0.00 58.65 57.56 2k85 h GLN 44 Cb -0.03 0.17 -0.10 0.00 -0.05 0.00 0.00 27.48 27.48 2k85 h GLN 44 CO -0.04 -0.51 -0.01 -0.44 -0.95 0.00 0.00 178.83 176.89 2k85 h ASP 45 N -0.79 -0.27 -0.26 1.46 3.32 -0.32 0.82 116.42 120.39 2k85 h ASP 45 Ca -0.07 0.14 -0.11 0.00 0.02 0.00 0.00 57.03 57.01 2k85 h ASP 45 Cb 0.65 0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 2k85 h ASP 45 CO 0.05 -0.10 -0.24 0.22 -1.72 0.00 0.00 179.24 177.45 2k85 h TYR 46 N 0.11 0.84 0.00 4.55 3.20 -1.01 0.08 116.97 124.74 2k85 h TYR 46 Ca 0.29 -0.19 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 2k85 h TYR 46 Cb 0.46 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 2k85 h TYR 46 CO -0.35 0.90 -0.07 0.28 -1.64 0.00 0.00 178.16 177.28 2k85 h VAL 47 N 0.64 0.15 -0.01 1.81 2.07 -0.60 -0.29 116.25 120.02 2k85 h VAL 47 Ca 0.09 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 2k85 h VAL 47 Cb 0.74 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 2k85 h VAL 47 CO 0.06 0.07 -0.03 0.22 0.02 0.00 0.00 177.57 177.91 2k85 h TYR 48 N 0.00 0.04 0.06 1.57 3.20 -0.02 -2.22 116.97 119.60 2k85 h TYR 48 Ca -0.00 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 2k85 h TYR 48 Cb 0.78 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.04 2k85 h TYR 48 CO 0.00 0.69 -0.03 -0.07 -1.64 0.00 0.00 178.16 177.11 2k85 h LEU 49 N -0.62 -0.07 0.00 2.82 3.38 -0.90 -3.41 115.31 116.51 2k85 h LEU 49 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2k85 h LEU 49 Cb 0.70 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2k85 h LEU 49 CO 0.01 -0.05 -0.48 -0.33 0.09 0.00 0.00 178.44 177.68 2k85 h GLU 50 N -0.09 0.00 0.00 1.13 4.39 -1.21 -3.51 114.58 115.28 2k85 h GLU 50 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2k85 h GLU 50 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2k85 h GLU 50 CO 0.01 0.47 0.00 0.41 -1.16 0.00 0.00 179.01 178.74 2k85 n GLY 51 N 1.61 3.36 0.22 -3.84 0.00 -0.83 -4.84 105.19 100.87 2k85 n GLY 51 Ca -0.13 -1.75 0.10 0.00 0.00 0.00 0.00 46.02 44.24 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 0.85 0.63 0.38 2.61 2.02 -1.90 -2.73 112.91 114.77 2k85 h THR 52 Ca 0.00 -1.06 -0.02 0.00 0.77 0.00 0.00 66.41 66.10 2k85 h THR 52 Cb 0.00 1.70 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 2k85 h THR 52 CO 0.00 0.23 -0.18 1.56 0.37 0.00 0.00 175.52 177.49 2k85 h GLN 53 N 0.00 -0.50 0.00 6.66 7.50 -1.94 0.23 115.11 127.06 2k85 h GLN 53 Ca -0.00 0.03 -0.02 0.00 0.50 0.00 0.00 58.65 59.16 2k85 h GLN 53 Cb 0.68 0.11 -0.00 0.00 0.05 0.00 0.00 27.48 28.32 2k85 h GLN 53 CO 0.03 -0.26 -0.11 0.87 -1.50 0.00 0.00 178.83 177.86 2k85 h LYS 54 N -1.08 0.00 -0.10 1.46 1.57 -1.88 0.92 116.57 117.45 2k85 h LYS 54 Ca -0.05 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.55 2k85 h LYS 54 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 2k85 h LYS 54 CO 0.09 0.11 -0.67 0.00 -0.57 0.00 0.00 179.45 178.40 2k85 h ALA 55 N 1.89 0.65 0.17 3.86 0.00 -1.49 0.67 119.26 125.01 2k85 h ALA 55 Ca -0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 2k85 h ALA 55 Cb 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2k85 h ALA 55 CO 0.01 0.74 -0.08 -0.22 0.00 0.00 0.00 179.25 179.70 2k85 h LYS 56 N 0.29 -0.22 -0.94 0.00 3.64 0.11 0.10 116.57 119.56 2k85 h LYS 56 Ca -0.02 0.01 0.17 0.00 -1.27 0.00 0.00 60.65 59.54 2k85 h LYS 56 Cb 1.23 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 33.02 2k85 h LYS 56 CO 0.12 0.14 0.60 0.87 -2.27 0.00 0.00 179.45 178.91 2k85 h LYS 57 N -0.62 0.66 -0.44 1.90 6.56 0.78 0.20 116.57 125.61 2k85 h LYS 57 Ca -0.02 -0.04 -0.06 0.00 -1.06 0.00 0.00 60.65 59.47 2k85 h LYS 57 Cb 0.46 -0.15 -0.02 0.00 -0.57 0.00 0.00 32.23 31.95 2k85 h LYS 57 CO 0.04 0.44 0.05 1.25 -2.06 0.00 0.00 179.45 179.16 2k85 h LEU 58 N 0.68 0.73 -0.39 2.94 5.85 0.57 -0.74 115.31 124.95 2k85 h LEU 58 Ca 0.50 -0.28 0.08 0.00 0.84 0.00 0.00 57.88 59.02 2k85 h LEU 58 Cb 0.86 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.61 2k85 h LEU 58 CO -0.26 0.82 -0.15 0.15 -0.34 0.00 0.00 178.44 178.67 2k85 h PHE 59 N 0.60 -0.36 0.08 1.25 3.57 0.96 -0.34 116.94 122.71 2k85 h PHE 59 Ca 0.13 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.69 2k85 h PHE 59 Cb 0.42 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.35 2k85 h PHE 59 CO 0.03 -0.23 -0.25 -0.07 -2.23 0.00 0.00 178.31 175.56 2k85 h LEU 60 N -0.07 -0.73 -0.48 0.59 -0.00 -0.22 0.36 115.31 114.75 2k85 h LEU 60 Ca 0.19 0.09 0.09 0.00 -0.00 0.00 0.00 57.88 58.25 2k85 h LEU 60 Cb 0.37 0.28 -0.08 0.00 -0.00 0.00 0.00 40.66 41.23 2k85 h LEU 60 CO -0.44 -0.34 0.01 1.56 -0.00 0.00 0.00 178.44 179.24 2k85 h GLN 61 N -0.44 0.12 -0.22 1.13 1.08 -0.97 -0.75 115.11 115.06 2k85 h GLN 61 Ca 0.04 -0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.18 2k85 h GLN 61 Cb 0.48 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 2k85 h GLN 61 CO -0.17 0.08 -0.08 1.25 -0.95 0.00 0.00 178.83 178.96 2k85 h HIS 62 N 0.13 0.35 -0.20 2.96 2.76 -0.34 0.13 115.15 120.95 2k85 h HIS 62 Ca 0.24 -0.04 0.05 0.00 -2.20 0.00 0.00 60.37 58.42 2k85 h HIS 62 Cb 0.36 -0.10 -0.05 0.00 1.55 0.00 0.00 27.41 29.16 2k85 h HIS 62 CO -0.30 0.43 -0.14 0.82 -1.30 0.00 0.00 177.93 177.44 2k85 h ILE 63 N 0.33 0.59 -0.46 6.26 1.08 0.11 0.39 117.51 125.81 2k85 h ILE 63 Ca 0.07 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.56 2k85 h ILE 63 Cb 0.35 0.59 -0.03 0.00 -3.07 0.00 0.00 36.82 34.66 2k85 h ILE 63 CO 0.02 0.00 0.26 -0.74 -0.69 0.00 0.00 178.15 177.00 2k85 h HIS 64 N -0.14 0.49 -0.24 1.37 -0.00 -0.19 0.22 115.15 116.66 2k85 h HIS 64 Ca 0.12 0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.54 2k85 h HIS 64 Cb 0.32 -0.15 -0.04 0.00 -0.00 0.00 0.00 27.41 27.54 2k85 h HIS 64 CO -0.29 0.27 0.01 0.00 -0.00 0.00 0.00 177.93 177.92 2k85 h ARG 65 N 0.53 0.08 -0.52 5.26 3.08 -0.07 1.14 114.38 123.87 2k85 h ARG 65 Ca 0.19 -0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.34 2k85 h ARG 65 Cb 0.04 -0.02 -0.10 0.00 0.08 0.00 0.00 29.97 29.97 2k85 h ARG 65 CO -0.10 0.05 -0.15 -0.07 -1.07 0.00 0.00 179.97 178.64 2k85 h LEU 66 N 0.08 -0.53 0.18 3.04 3.38 0.31 -1.37 115.31 120.40 2k85 h LEU 66 Ca 0.11 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 2k85 h LEU 66 Cb 0.14 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2k85 h LEU 66 CO -0.18 -0.19 -0.13 0.11 0.09 0.00 0.00 178.44 178.14 2k85 h LYS 67 N -0.02 -0.30 -0.55 1.13 1.57 0.97 -3.43 116.57 115.94 2k85 h LYS 67 Ca 0.25 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.10 2k85 h LYS 67 Cb 0.40 0.07 -0.18 0.00 0.08 0.00 0.00 32.23 32.60 2k85 h LYS 67 CO -0.55 -0.20 -0.26 -3.38 -0.57 0.00 0.00 179.45 174.50 2k85 s HIS 68 N -6.14 -0.96 -2.90 -1.35 -3.43 0.38 -5.07 115.29 95.81 2k85 s HIS 68 Ca -0.15 0.14 0.25 0.00 -0.80 0.00 0.00 55.06 54.50 2k85 s HIS 68 Cb 0.06 0.18 0.35 0.00 -1.43 0.00 0.00 32.58 31.74 2k85 s HIS 68 CO 0.65 -0.65 1.35 -1.91 -2.00 0.00 0.00 174.74 172.18