#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k85 s GLN 6 N 0.00 4.18 0.00 1.43 -1.52 -1.26 -4.43 119.66 118.06 2k85 s GLN 6 Ca 0.00 -3.10 0.00 0.00 -1.95 0.00 0.00 55.36 50.31 2k85 s GLN 6 Cb 0.00 -4.64 0.00 0.00 -0.22 0.00 0.00 33.01 28.15 2k85 s GLN 6 CO 0.00 -1.33 0.00 0.94 -0.25 0.00 0.00 175.29 174.65 2k85 n GLN 7 N 3.22 0.00 0.15 2.91 -0.06 -1.26 -4.48 117.38 117.86 2k85 n GLN 7 Ca 0.26 0.00 0.17 0.00 -2.00 0.00 0.00 57.00 55.43 2k85 n GLN 7 Cb 0.40 -0.78 0.77 0.00 -4.06 0.00 0.00 30.24 26.56 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 0.60 0.00 1.69 5.03 -1.99 -0.93 117.51 121.90 2k85 h ILE 8 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.74 2k85 h ILE 8 Cb 0.71 0.82 0.00 0.00 -3.03 0.00 0.00 36.82 35.33 2k85 h ILE 8 CO 0.00 0.00 -0.30 0.00 -0.68 0.00 0.00 178.15 177.17 2k85 n ALA 9 N -2.44 0.27 -0.19 1.87 0.00 -1.26 -4.16 120.51 114.60 2k85 n ALA 9 Ca 0.03 -0.33 -0.09 0.00 0.00 0.00 0.00 53.44 53.06 2k85 n ALA 9 Cb 0.38 0.01 0.01 0.00 0.00 0.00 0.00 19.45 19.85 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 -0.48 1.24 -0.37 0.00 1.35 -1.78 0.88 112.91 113.76 2k85 h THR 10 Ca 0.00 -0.85 -0.07 0.00 -0.55 0.00 0.00 66.41 64.94 2k85 h THR 10 Cb 0.30 0.79 -0.02 0.00 -1.73 0.00 0.00 68.15 67.49 2k85 h THR 10 CO 0.00 0.31 -0.06 0.00 -0.25 0.00 0.00 175.52 175.52 2k85 h ALA 11 N 1.01 1.20 -0.04 6.62 0.00 -1.44 0.45 119.26 127.06 2k85 h ALA 11 Ca 0.17 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2k85 h ALA 11 Cb 0.33 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2k85 h ALA 11 CO 0.00 0.52 -0.10 -0.22 0.00 0.00 0.00 179.25 179.45 2k85 h LYS 12 N 0.58 0.14 -0.45 0.00 3.64 -1.54 -2.05 116.57 116.89 2k85 h LYS 12 Ca 0.11 -0.09 0.07 0.00 -1.27 0.00 0.00 60.65 59.47 2k85 h LYS 12 Cb 0.45 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.23 2k85 h LYS 12 CO 0.02 0.69 0.11 0.22 -2.27 0.00 0.00 179.45 178.23 2k85 h ASP 13 N -0.40 0.06 -0.06 4.20 3.58 0.12 0.66 116.42 124.58 2k85 h ASP 13 Ca -0.00 0.07 0.01 0.00 0.42 0.00 0.00 57.03 57.53 2k85 h ASP 13 Cb 0.70 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.82 2k85 h ASP 13 CO 0.02 0.07 0.01 0.50 -2.88 0.00 0.00 179.24 176.96 2k85 h LYS 14 N 0.26 0.04 -0.74 0.28 3.64 -0.19 -1.58 116.57 118.28 2k85 h LYS 14 Ca 0.22 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.62 2k85 h LYS 14 Cb 0.26 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 2k85 h LYS 14 CO -0.26 0.03 0.49 -0.92 -2.27 0.00 0.00 179.45 176.51 2k85 h TYR 15 N 0.04 0.88 0.00 1.91 3.20 -0.53 0.18 116.97 122.64 2k85 h TYR 15 Ca 0.03 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 2k85 h TYR 15 Cb 0.02 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 37.99 2k85 h TYR 15 CO -0.10 0.52 -0.18 0.93 -1.64 0.00 0.00 178.16 177.69 2k85 h GLU 16 N 0.92 0.00 -0.19 1.82 5.08 0.76 0.95 114.58 123.91 2k85 h GLU 16 Ca 0.29 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.45 2k85 h GLU 16 Cb 0.02 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.28 2k85 h GLU 16 CO -0.08 0.18 -0.67 2.35 -1.00 0.00 0.00 179.01 179.79 2k85 h TRP 17 N 0.00 1.04 -0.60 4.33 7.01 0.21 -2.20 115.95 125.74 2k85 h TRP 17 Ca -0.00 -0.43 0.11 0.00 2.11 0.00 0.00 58.89 60.68 2k85 h TRP 17 Cb 0.31 -0.17 -0.08 0.00 -2.10 0.00 0.00 29.16 27.12 2k85 h TRP 17 CO 0.00 1.26 0.15 -0.07 -2.79 0.00 0.00 178.44 176.98 2k85 h LEU 18 N 0.53 0.04 -0.19 0.65 -0.00 0.15 1.54 115.31 118.03 2k85 h LEU 18 Ca -0.03 0.11 0.03 0.00 -0.00 0.00 0.00 57.88 57.98 2k85 h LEU 18 Cb 1.29 0.14 -0.03 0.00 -0.00 0.00 0.00 40.66 42.06 2k85 h LEU 18 CO 0.14 0.03 0.03 0.58 -0.00 0.00 0.00 178.44 179.22 2k85 h VAL 19 N 0.28 0.90 0.00 1.22 2.07 -1.04 -1.56 116.25 118.12 2k85 h VAL 19 Ca 0.31 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.80 2k85 h VAL 19 Cb 0.45 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2k85 h VAL 19 CO -0.38 0.02 0.00 0.77 0.02 0.00 0.00 177.57 177.99 2k85 h SER 20 N 0.10 0.00 1.12 0.57 4.64 0.18 0.86 113.55 121.02 2k85 h SER 20 Ca 0.09 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.27 2k85 h SER 20 Cb 0.09 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 2k85 h SER 20 CO -0.12 0.00 -0.93 0.08 -0.87 0.00 0.00 176.83 174.99 2k85 h ARG 21 N 0.00 0.00 0.00 4.77 0.11 0.25 -3.40 114.38 116.11 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 0.45 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.53 2k85 h ARG 21 CO 0.00 0.42 -0.53 -0.89 0.10 0.00 0.00 179.97 179.07 2k85 n ILE 22 N -3.07 0.94 -2.32 0.08 2.08 -0.64 -4.90 119.36 111.54 2k85 n ILE 22 Ca -0.03 0.27 -0.41 0.00 0.56 0.00 0.00 62.75 63.13 2k85 n ILE 22 Cb 0.79 -1.93 -0.03 0.00 -0.75 0.00 0.00 39.64 37.72 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 -2.13 3.68 -0.10 1.39 1.01 0.29 -4.84 120.40 119.70 2k85 s VAL 23 Ca -0.15 0.55 -0.10 0.00 0.00 0.00 0.00 61.98 62.28 2k85 s VAL 23 Cb 0.02 -4.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 2k85 s VAL 23 CO 0.23 -1.14 -0.19 0.29 0.00 0.00 0.00 175.10 174.29 2k85 n LYS 24 N 8.81 0.29 -0.14 2.72 4.76 -1.26 -4.15 118.16 129.18 2k85 n LYS 24 Ca 0.14 0.14 0.04 0.00 -2.87 0.00 0.00 58.31 55.76 2k85 n LYS 24 Cb 0.50 -1.04 0.12 0.00 -1.84 0.00 0.00 35.03 32.77 2k85 n LYS 24 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2k85 n ASN 25 N -3.58 1.48 0.00 4.39 0.23 -1.26 -4.89 115.26 111.62 2k85 n ASN 25 Ca -0.07 -2.01 0.00 0.00 -0.53 0.00 0.00 54.58 51.97 2k85 n ASN 25 Cb 0.28 -0.19 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 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 0.29 0.00 0.89 -2.53 1.44 -1.26 -4.75 115.22 109.30 2k85 n HIS 26 Ca 0.09 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.88 2k85 n HIS 26 Cb 0.24 -0.79 0.45 0.00 0.12 0.00 0.00 29.99 30.00 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 0.00 -3.84 4.39 5.03 -1.26 -4.71 115.26 114.87 2k85 n ASN 27 Ca 0.00 -0.18 -0.30 0.00 0.87 0.00 0.00 54.58 54.97 2k85 n ASN 27 Cb 0.00 -0.17 0.25 0.00 -1.02 0.00 0.00 39.78 38.84 2k85 n ASN 27 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2k85 s GLU 28 N -2.34 -1.48 -0.08 3.52 0.41 -1.26 -5.07 118.70 112.39 2k85 s GLU 28 Ca 0.19 0.07 0.01 0.00 -0.41 0.00 0.00 54.97 54.83 2k85 s GLU 28 Cb 0.11 -1.55 0.02 0.00 -1.78 0.00 0.00 34.13 30.93 2k85 s GLU 28 CO 0.23 -3.91 -0.08 1.21 -0.49 0.00 0.00 175.26 172.21 2k85 s ASN 29 N -3.62 1.71 0.23 -0.19 3.84 -1.26 -5.06 114.94 110.60 2k85 s ASN 29 Ca 0.70 -0.25 -0.11 0.00 0.21 0.00 0.00 52.86 53.41 2k85 s ASN 29 Cb -0.12 -0.72 0.33 0.00 -0.55 0.00 0.00 41.25 40.18 2k85 s ASN 29 CO 0.57 -0.05 1.41 1.87 -2.79 0.00 0.00 177.10 178.11 2k85 n TRP 30 N 4.32 0.19 0.18 0.43 -0.00 -1.26 -1.41 117.44 119.89 2k85 n TRP 30 Ca -0.19 1.11 -0.14 0.00 -0.00 0.00 0.00 57.50 58.28 2k85 n TRP 30 Cb 0.51 -0.94 -0.07 0.00 -0.00 0.00 0.00 31.31 30.81 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 -0.45 -1.28 5.87 -0.00 -1.98 0.44 115.31 117.91 2k85 h LEU 31 Ca 0.38 0.03 0.08 0.00 -0.00 0.00 0.00 57.88 58.37 2k85 h LEU 31 Cb 0.61 0.14 -0.05 0.00 -0.00 0.00 0.00 40.66 41.35 2k85 h LEU 31 CO -0.92 -0.28 0.53 0.28 -0.00 0.00 0.00 178.44 178.05 2k85 h SER 32 N -0.44 0.74 1.19 -0.43 0.02 -1.67 0.95 113.55 113.91 2k85 h SER 32 Ca -0.02 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.82 2k85 h SER 32 Cb 0.37 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 2k85 h SER 32 CO 0.02 0.46 -0.54 -0.37 -1.14 0.00 0.00 176.83 175.26 2k85 h VAL 33 N 0.84 1.01 0.00 2.27 -1.51 -0.43 -2.32 116.25 116.11 2k85 h VAL 33 Ca 0.36 -2.18 -0.13 0.00 -1.23 0.00 0.00 66.70 63.52 2k85 h VAL 33 Cb 0.32 2.33 -0.02 0.00 -2.13 0.00 0.00 31.29 31.79 2k85 h VAL 33 CO -0.14 0.53 -0.63 0.77 -1.23 0.00 0.00 177.57 176.87 2k85 h SER 34 N 0.00 0.00 0.16 4.19 4.64 0.68 0.49 113.55 123.72 2k85 h SER 34 Ca -0.01 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.33 2k85 h SER 34 Cb 1.28 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.33 2k85 h SER 34 CO 0.07 0.63 -0.40 0.03 -0.87 0.00 0.00 176.83 176.29 2k85 h ARG 35 N 0.00 -0.64 0.01 4.77 2.47 -0.61 0.34 114.38 120.72 2k85 h ARG 35 Ca -0.01 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 2k85 h ARG 35 Cb 1.33 0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 29.79 2k85 h ARG 35 CO 0.08 -0.43 -0.03 0.87 0.56 0.00 0.00 179.97 181.02 2k85 h LYS 36 N -0.66 -0.05 -1.03 0.04 1.79 -1.30 -3.22 116.57 112.14 2k85 h LYS 36 Ca 0.01 0.00 0.27 0.00 -2.18 0.00 0.00 60.65 58.76 2k85 h LYS 36 Cb 0.67 0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 31.26 2k85 h LYS 36 CO -0.21 -0.03 0.70 0.52 -1.08 0.00 0.00 179.45 179.35 2k85 h MET 37 N -0.05 0.23 0.00 3.15 2.86 0.02 -1.91 114.93 119.23 2k85 h MET 37 Ca -0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2k85 h MET 37 Cb 0.05 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2k85 h MET 37 CO -0.02 0.15 0.00 -0.56 1.06 0.00 0.00 176.91 177.54 2k85 h GLN 38 N 0.24 0.00 -0.75 1.72 3.07 -0.33 0.37 115.11 119.42 2k85 h GLN 38 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.28 2k85 h GLN 38 Cb 1.67 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.23 2k85 h GLN 38 CO -0.16 0.00 0.00 0.00 0.09 0.00 0.00 178.83 178.76 2k85 n ALA 39 N -2.07 2.49 -3.70 0.06 0.00 -0.72 -4.68 120.51 111.89 2k85 n ALA 39 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.22 2k85 n ALA 39 Cb 0.16 -1.00 -0.17 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.25 0.99 0.59 0.00 0.01 0.12 -5.01 113.70 110.16 2k85 s SER 40 Ca 0.00 -0.07 0.29 0.00 1.31 0.00 0.00 55.95 57.48 2k85 s SER 40 Cb 0.00 -0.36 1.60 0.00 0.21 0.00 0.00 66.02 67.47 2k85 s SER 40 CO 0.00 -0.12 2.02 1.55 0.41 0.00 0.00 173.24 177.10 2k85 h PRO 41 N 7.63 0.00 0.26 12.44 0.13 -1.83 -1.83 132.00 148.80 2k85 h PRO 41 Ca -0.32 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2k85 h PRO 41 Cb 1.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 2k85 h PRO 41 CO 0.39 0.00 -0.33 0.93 -0.23 0.00 0.00 178.00 178.76 2k85 h GLU 42 N 0.00 -0.58 -0.79 0.86 3.07 -1.95 0.27 114.58 115.46 2k85 h GLU 42 Ca 0.13 0.04 0.03 0.00 -0.50 0.00 0.00 59.36 59.06 2k85 h GLU 42 Cb 0.74 0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 28.73 2k85 h GLU 42 CO -0.00 -0.38 0.51 -0.92 -1.40 0.00 0.00 179.01 176.81 2k85 h TYR 43 N -0.60 0.95 0.52 4.33 5.03 -1.55 -2.50 116.97 123.16 2k85 h TYR 43 Ca -0.03 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.29 2k85 h TYR 43 Cb 0.54 -0.32 -0.01 0.00 1.55 0.00 0.00 36.73 38.49 2k85 h TYR 43 CO -0.24 0.55 -0.43 1.96 -1.32 0.00 0.00 178.16 178.68 2k85 h GLN 44 N 1.00 -0.89 -0.54 1.82 1.08 -1.29 -0.78 115.11 115.50 2k85 h GLN 44 Ca 0.31 0.06 0.11 0.00 -1.45 0.00 0.00 58.65 57.68 2k85 h GLN 44 Cb -0.00 0.20 -0.11 0.00 -0.05 0.00 0.00 27.48 27.52 2k85 h GLN 44 CO -0.11 -0.59 -0.21 0.22 -0.95 0.00 0.00 178.83 177.19 2k85 h ASP 45 N -0.92 -0.74 -0.64 1.46 3.58 -0.34 0.50 116.42 119.32 2k85 h ASP 45 Ca -0.07 0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 2k85 h ASP 45 Cb 0.78 0.42 -0.03 0.00 1.72 0.00 0.00 39.33 42.22 2k85 h ASP 45 CO -0.00 -0.24 0.32 0.22 -2.88 0.00 0.00 179.24 176.66 2k85 h TYR 46 N -0.08 0.91 0.00 0.28 3.20 -1.37 -0.18 116.97 119.73 2k85 h TYR 46 Ca 0.25 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 2k85 h TYR 46 Cb 0.47 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 2k85 h TYR 46 CO -0.51 0.68 -0.24 0.28 -1.64 0.00 0.00 178.16 176.72 2k85 h VAL 47 N 0.87 0.57 -0.02 1.81 2.07 0.19 0.15 116.25 121.90 2k85 h VAL 47 Ca 0.22 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 2k85 h VAL 47 Cb 0.10 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2k85 h VAL 47 CO -0.03 0.24 -0.03 0.22 0.02 0.00 0.00 177.57 177.99 2k85 h TYR 48 N 0.00 0.06 0.40 1.57 3.20 0.72 -2.83 116.97 120.08 2k85 h TYR 48 Ca -0.00 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 2k85 h TYR 48 Cb 0.79 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.05 2k85 h TYR 48 CO 0.00 0.58 -0.19 -0.07 -1.64 0.00 0.00 178.16 176.84 2k85 h LEU 49 N -0.49 -0.46 0.00 2.82 3.38 -0.87 -3.43 115.31 116.26 2k85 h LEU 49 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2k85 h LEU 49 Cb 0.58 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2k85 h LEU 49 CO 0.01 -0.24 0.00 -0.62 0.09 0.00 0.00 178.44 177.68 2k85 n GLU 50 N -3.97 0.00 0.00 1.13 -0.58 0.50 -5.10 120.64 112.62 2k85 n GLU 50 Ca -0.07 0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 2k85 n GLU 50 Cb 0.21 -0.66 0.00 0.00 -0.57 0.00 0.00 31.44 30.42 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 2.16 3.12 0.18 0.62 0.00 -1.07 -4.94 105.19 105.25 2k85 n GLY 51 Ca 0.00 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 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 1.37 -0.01 2.61 2.02 -1.91 -1.07 112.91 116.95 2k85 h THR 52 Ca 0.00 -2.21 -0.18 0.00 0.77 0.00 0.00 66.41 64.79 2k85 h THR 52 Cb 0.00 2.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 2k85 h THR 52 CO 0.00 0.67 -0.80 1.56 0.37 0.00 0.00 175.52 177.32 2k85 h GLN 53 N 0.31 0.17 -0.05 6.66 4.20 -1.96 0.39 115.11 124.82 2k85 h GLN 53 Ca -0.05 -0.16 -0.15 0.00 0.06 0.00 0.00 58.65 58.35 2k85 h GLN 53 Cb 1.41 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.22 2k85 h GLN 53 CO 0.14 0.88 -0.63 -0.22 -0.67 0.00 0.00 178.83 178.33 2k85 h LYS 54 N 0.10 0.18 -0.20 1.46 3.64 -1.92 0.58 116.57 120.42 2k85 h LYS 54 Ca -0.03 -0.13 -0.17 0.00 -1.27 0.00 0.00 60.65 59.06 2k85 h LYS 54 Cb 1.39 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.23 2k85 h LYS 54 CO 0.12 0.75 -0.56 0.00 -2.27 0.00 0.00 179.45 177.49 2k85 h ALA 55 N 1.22 0.65 0.57 5.00 0.00 -0.89 0.59 119.26 126.41 2k85 h ALA 55 Ca -0.01 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 2k85 h ALA 55 Cb 1.13 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2k85 h ALA 55 CO 0.09 0.69 -0.43 -0.22 0.00 0.00 0.00 179.25 179.38 2k85 h LYS 56 N 0.46 -0.93 -0.97 0.00 3.64 -0.02 0.53 116.57 119.28 2k85 h LYS 56 Ca 0.01 0.06 0.24 0.00 -1.27 0.00 0.00 60.65 59.69 2k85 h LYS 56 Cb 1.11 0.21 -0.13 0.00 -0.41 0.00 0.00 32.23 33.02 2k85 h LYS 56 CO 0.11 -0.62 0.53 -0.22 -2.27 0.00 0.00 179.45 176.97 2k85 h LYS 57 N -0.97 0.49 -0.32 1.90 1.63 0.30 0.64 116.57 120.25 2k85 h LYS 57 Ca -0.07 -0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 59.64 2k85 h LYS 57 Cb 0.81 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.32 2k85 h LYS 57 CO 0.02 0.32 -0.04 1.25 -3.45 0.00 0.00 179.45 177.55 2k85 h LEU 58 N 0.51 0.58 -0.17 5.20 5.85 0.60 -0.86 115.31 127.02 2k85 h LEU 58 Ca 0.63 -0.34 0.05 0.00 0.84 0.00 0.00 57.88 59.05 2k85 h LEU 58 Cb 1.21 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 2k85 h LEU 58 CO -0.50 0.78 -0.16 0.15 -0.34 0.00 0.00 178.44 178.37 2k85 h PHE 59 N 0.37 -0.40 -0.40 1.25 3.57 0.21 -2.26 116.94 119.29 2k85 h PHE 59 Ca 0.09 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.69 2k85 h PHE 59 Cb 0.51 0.20 -0.08 0.00 2.79 0.00 0.00 35.95 39.36 2k85 h PHE 59 CO 0.04 -0.23 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.66 2k85 h LEU 60 N -0.17 -0.56 0.02 0.59 -0.00 0.43 0.30 115.31 115.92 2k85 h LEU 60 Ca 0.11 0.14 0.01 0.00 -0.00 0.00 0.00 57.88 58.14 2k85 h LEU 60 Cb 0.34 0.32 -0.03 0.00 -0.00 0.00 0.00 40.66 41.29 2k85 h LEU 60 CO -0.27 -0.20 -0.26 1.56 -0.00 0.00 0.00 178.44 179.27 2k85 h GLN 61 N -0.08 -0.33 -0.92 1.13 1.08 -0.95 0.10 115.11 115.15 2k85 h GLN 61 Ca 0.20 0.02 0.19 0.00 -1.45 0.00 0.00 58.65 57.61 2k85 h GLN 61 Cb 0.38 0.07 -0.11 0.00 -0.05 0.00 0.00 27.48 27.78 2k85 h GLN 61 CO -0.46 -0.22 0.49 1.25 -0.95 0.00 0.00 178.83 178.94 2k85 h HIS 62 N -0.34 0.85 -0.43 2.96 2.76 -1.08 0.28 115.15 120.15 2k85 h HIS 62 Ca 0.00 0.04 0.09 0.00 -2.20 0.00 0.00 60.37 58.29 2k85 h HIS 62 Cb 0.36 -0.23 -0.08 0.00 1.55 0.00 0.00 27.41 29.00 2k85 h HIS 62 CO -0.41 0.13 -0.12 0.82 -1.30 0.00 0.00 177.93 177.05 2k85 h ILE 63 N 0.60 0.54 -0.61 6.26 1.08 0.24 0.54 117.51 126.17 2k85 h ILE 63 Ca 0.54 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 65.02 2k85 h ILE 63 Cb 0.88 0.54 -0.03 0.00 -3.07 0.00 0.00 36.82 35.14 2k85 h ILE 63 CO -0.42 0.00 0.40 -0.74 -0.69 0.00 0.00 178.15 176.70 2k85 h HIS 64 N -0.02 0.76 -0.63 1.37 2.76 0.20 0.56 115.15 120.15 2k85 h HIS 64 Ca 0.21 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.38 2k85 h HIS 64 Cb 0.33 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 29.01 2k85 h HIS 64 CO -0.39 0.48 0.33 0.00 -1.30 0.00 0.00 177.93 177.05 2k85 h ARG 65 N 0.82 0.89 -0.49 5.26 3.08 0.10 1.00 114.38 125.05 2k85 h ARG 65 Ca 0.23 -0.11 0.06 0.00 0.07 0.00 0.00 59.98 60.23 2k85 h ARG 65 Cb -0.08 -0.17 -0.06 0.00 0.08 0.00 0.00 29.97 29.74 2k85 h ARG 65 CO -0.05 0.69 0.18 -0.07 -1.07 0.00 0.00 179.97 179.65 2k85 h LEU 66 N 0.87 0.19 -0.01 3.04 3.38 0.95 -2.16 115.31 121.58 2k85 h LEU 66 Ca 0.22 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2k85 h LEU 66 Cb 0.07 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2k85 h LEU 66 CO -0.03 0.14 0.00 0.11 0.09 0.00 0.00 178.44 178.75 2k85 h LYS 67 N 0.36 0.01 -0.16 1.13 1.57 0.12 -3.45 116.57 116.15 2k85 h LYS 67 Ca 0.23 -0.00 0.20 0.00 -1.87 0.00 0.00 60.65 59.21 2k85 h LYS 67 Cb 0.24 -0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.37 2k85 h LYS 67 CO -0.23 0.03 -0.02 -3.38 -0.57 0.00 0.00 179.45 175.28 2k85 s HIS 68 N -6.12 -0.30 -2.08 -1.35 -3.43 0.34 -5.07 115.29 97.28 2k85 s HIS 68 Ca -0.13 0.13 0.31 0.00 -0.80 0.00 0.00 55.06 54.57 2k85 s HIS 68 Cb 0.06 0.05 1.77 0.00 -1.43 0.00 0.00 32.58 33.03 2k85 s HIS 68 CO 0.66 -0.19 2.15 -1.91 -2.00 0.00 0.00 174.74 173.46