#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q86 s ARG 8 N 0.00 1.35 -0.17 5.31 1.70 -0.50 -4.99 118.95 121.65 1q86 s ARG 8 Ca 0.00 -0.71 -0.07 0.00 -0.47 0.00 0.00 55.73 54.48 1q86 s ARG 8 Cb 0.00 0.48 -0.04 0.00 -0.57 0.00 0.00 34.95 34.82 1q86 s ARG 8 CO 0.00 -0.62 0.04 0.08 -1.08 0.00 0.00 175.30 173.73 1q86 s VAL 9 N -3.50 4.63 0.05 4.99 1.01 -1.26 -1.63 120.40 124.69 1q86 s VAL 9 Ca 0.10 -0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.04 1q86 s VAL 9 Cb -0.03 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 1q86 s VAL 9 CO 0.02 0.48 -0.14 -0.69 0.00 0.00 0.00 175.10 174.76 1q86 s VAL 10 N 0.27 1.10 -0.39 2.92 1.01 0.15 -4.95 120.40 120.52 1q86 s VAL 10 Ca 0.02 -1.10 -0.13 0.00 0.00 0.00 0.00 61.98 60.78 1q86 s VAL 10 Cb -0.13 -1.02 0.02 0.00 0.00 0.00 0.00 36.38 35.25 1q86 s VAL 10 CO 0.01 -0.07 0.25 -0.89 0.00 0.00 0.00 175.10 174.40 1q86 s THR 11 N -0.99 4.97 -0.20 3.92 2.01 -1.26 0.11 115.64 124.20 1q86 s THR 11 Ca 0.00 -0.70 -0.17 0.00 0.31 0.00 0.00 61.69 61.13 1q86 s THR 11 Cb -0.09 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 1q86 s THR 11 CO 0.02 -0.25 0.45 -0.63 -0.69 0.00 0.00 174.62 173.52 1q86 s ILE 12 N 1.63 5.16 -0.06 1.82 -1.09 0.09 -4.91 121.20 123.83 1q86 s ILE 12 Ca 0.04 0.81 -0.23 0.00 -2.23 0.00 0.00 60.65 59.04 1q86 s ILE 12 Cb -0.19 -3.78 -0.04 0.00 -1.58 0.00 0.00 42.46 36.87 1q86 s ILE 12 CO 0.09 0.22 0.70 -2.16 -1.23 0.00 0.00 174.94 172.56 1q86 s PRO 13 N 1.46 4.44 -0.31 2.79 0.04 -1.26 -1.87 135.00 140.29 1q86 s PRO 13 Ca 0.21 0.89 0.08 0.00 0.04 0.00 0.00 61.00 62.22 1q86 s PRO 13 Cb -0.15 -3.44 0.47 0.00 0.04 0.00 0.00 34.50 31.41 1q86 s PRO 13 CO 0.09 0.08 1.36 1.28 0.04 0.00 0.00 177.00 179.85 1q86 n LEU 14 N 3.72 4.40 0.18 -3.56 4.77 0.12 -4.67 117.00 121.97 1q86 n LEU 14 Ca -0.01 -4.21 0.05 0.00 -0.03 0.00 0.00 56.01 51.81 1q86 n LEU 14 Cb 0.51 -0.54 0.32 0.00 -2.33 0.00 0.00 43.42 41.39 1q86 n LEU 14 CO 0.47 1.62 0.66 0.08 -1.33 0.00 0.00 177.39 178.89 1q86 h ARG 15 N 1.51 0.00 0.00 3.23 0.11 -1.91 -3.01 114.38 114.31 1q86 h ARG 15 Ca 0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.34 1q86 h ARG 15 Cb 1.39 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.47 1q86 h ARG 15 CO 0.54 0.41 0.00 -0.25 0.10 0.00 0.00 179.97 180.76 1q86 n ASP 16 N -3.61 0.00 -0.06 0.08 8.00 -1.26 -2.88 116.55 116.81 1q86 n ASP 16 Ca -0.01 -0.89 0.14 0.00 0.71 0.00 0.00 54.79 54.74 1q86 n ASP 16 Cb 0.51 -0.00 0.58 0.00 -0.02 0.00 0.00 41.12 42.19 1q86 n ASP 16 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q86 n ALA 17 N -1.00 2.75 0.78 2.24 0.00 -1.14 -3.05 120.51 121.09 1q86 n ALA 17 Ca 0.21 -0.23 0.13 0.00 0.00 0.00 0.00 53.44 53.56 1q86 n ALA 17 Cb 0.10 -1.35 0.48 0.00 0.00 0.00 0.00 19.45 18.68 1q86 n ALA 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1q86 n ARG 18 N -1.17 0.15 0.19 0.00 1.74 -1.14 -2.78 116.66 113.65 1q86 n ARG 18 Ca 0.12 0.12 0.06 0.00 -0.77 0.00 0.00 57.85 57.38 1q86 n ARG 18 Cb 0.29 -1.67 0.29 0.00 -1.02 0.00 0.00 32.46 30.35 1q86 n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1q86 h ALA 19 N 2.72 0.92 -2.56 7.54 0.00 -1.78 -3.44 119.26 122.67 1q86 h ALA 19 Ca 0.00 -0.33 -0.53 0.00 0.00 0.00 0.00 54.91 54.05 1q86 h ALA 19 Cb 0.64 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1q86 h ALA 19 CO 0.00 0.45 0.07 -2.00 0.00 0.00 0.00 179.25 177.77 1q86 s GLU 20 N -3.46 4.23 0.13 0.00 2.56 -1.12 -4.99 118.70 116.05 1q86 s GLU 20 Ca 0.01 0.82 -0.35 0.00 0.00 0.00 0.00 54.97 55.46 1q86 s GLU 20 Cb 0.10 -2.93 -0.16 0.00 2.00 0.00 0.00 34.13 33.14 1q86 s GLU 20 CO 0.69 0.43 1.29 -0.35 -0.56 0.00 0.00 175.26 176.76 1q86 n PRO 21 N 0.85 1.28 -0.28 4.30 -0.04 -1.26 -4.81 135.00 135.03 1q86 n PRO 21 Ca -0.03 0.46 0.01 0.00 -0.04 0.00 0.00 63.50 63.89 1q86 n PRO 21 Cb 0.51 -2.06 0.07 0.00 -0.04 0.00 0.00 33.50 31.99 1q86 n PRO 21 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1q86 h ASN 22 N 4.18 -0.95 0.00 3.54 2.35 -1.89 -0.24 115.58 122.57 1q86 h ASN 22 Ca -0.46 0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1q86 h ASN 22 Cb 1.33 0.56 0.00 0.00 0.05 0.00 0.00 38.32 40.26 1q86 h ASN 22 CO 0.75 -0.28 0.00 0.00 -1.65 0.00 0.00 177.43 176.25 1q86 n HIS 23 N -5.50 0.00 -2.23 1.19 1.44 -1.26 -1.90 115.22 106.96 1q86 n HIS 23 Ca 0.10 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.85 1q86 n HIS 23 Cb 0.40 0.00 0.08 0.00 0.12 0.00 0.00 29.99 30.59 1q86 n HIS 23 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1q86 n LYS 24 N -0.83 0.54 0.20 -1.40 5.02 -0.10 -4.49 118.16 117.11 1q86 n LYS 24 Ca 0.00 -2.44 -0.14 0.00 -2.02 0.00 0.00 58.31 53.71 1q86 n LYS 24 Cb 0.00 -0.54 -0.08 0.00 -0.02 0.00 0.00 35.03 34.39 1q86 n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1q86 h ARG 25 N 1.03 -0.49 -0.68 1.97 3.08 -0.64 -3.17 114.38 115.49 1q86 h ARG 25 Ca -0.15 0.03 0.06 0.00 0.07 0.00 0.00 59.98 59.99 1q86 h ARG 25 Cb 1.61 0.11 -0.08 0.00 0.08 0.00 0.00 29.97 31.69 1q86 h ARG 25 CO 0.08 -0.21 -0.40 0.00 -1.07 0.00 0.00 179.97 178.36 1q86 n ALA 26 N -2.44 -0.43 0.00 0.04 0.00 -0.20 -0.26 120.51 117.22 1q86 n ALA 26 Ca -0.10 0.58 -0.10 0.00 0.00 0.00 0.00 53.44 53.81 1q86 n ALA 26 Cb 0.27 -0.05 -0.04 0.00 0.00 0.00 0.00 19.45 19.64 1q86 n ALA 26 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1q86 h ASP 27 N 0.00 -0.89 -0.96 0.00 3.45 -1.84 0.37 116.42 116.55 1q86 h ASP 27 Ca 0.11 0.14 0.04 0.00 0.43 0.00 0.00 57.03 57.75 1q86 h ASP 27 Cb 0.28 0.39 -0.06 0.00 -0.56 0.00 0.00 39.33 39.38 1q86 h ASP 27 CO -0.64 -0.33 0.63 0.50 -1.57 0.00 0.00 179.24 177.83 1q86 h LYS 28 N -0.36 1.16 0.53 3.56 1.63 -0.83 -1.50 116.57 120.76 1q86 h LYS 28 Ca 0.10 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.80 1q86 h LYS 28 Cb 0.51 -0.26 0.01 0.00 -0.60 0.00 0.00 32.23 31.88 1q86 h LYS 28 CO -0.33 0.77 -0.26 0.00 -3.45 0.00 0.00 179.45 176.18 1q86 h ALA 29 N 1.41 -0.72 -1.05 5.00 0.00 0.02 0.04 119.26 123.95 1q86 h ALA 29 Ca 0.39 -0.16 0.29 0.00 0.00 0.00 0.00 54.91 55.43 1q86 h ALA 29 Cb 0.04 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1q86 h ALA 29 CO -0.13 -0.90 0.73 1.98 0.00 0.00 0.00 179.25 180.93 1q86 h MET 30 N -0.72 0.12 -0.01 0.00 1.85 -0.35 0.32 114.93 116.14 1q86 h MET 30 Ca -0.07 -0.01 -0.15 0.00 -0.61 0.00 0.00 59.70 58.86 1q86 h MET 30 Cb 0.55 -0.03 0.01 0.00 0.43 0.00 0.00 31.60 32.57 1q86 h MET 30 CO 0.12 0.08 -0.57 0.82 -0.40 0.00 0.00 176.91 176.96 1q86 h ILE 31 N 0.13 1.43 -0.69 1.77 2.04 -0.33 -3.13 117.51 118.73 1q86 h ILE 31 Ca 0.53 -2.06 0.10 0.00 1.00 0.00 0.00 64.86 64.43 1q86 h ILE 31 Cb 1.84 2.58 -0.07 0.00 -0.74 0.00 0.00 36.82 40.43 1q86 h ILE 31 CO -0.09 0.60 0.32 -0.07 0.00 0.00 0.00 178.15 178.90 1q86 h LEU 32 N -0.11 0.39 -0.20 1.44 3.38 0.15 -0.59 115.31 119.77 1q86 h LEU 32 Ca -0.07 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1q86 h LEU 32 Cb 1.29 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.99 1q86 h LEU 32 CO 0.11 0.22 -0.11 0.40 0.09 0.00 0.00 178.44 179.15 1q86 h ILE 33 N 0.54 0.65 -0.53 1.22 2.04 -1.16 0.23 117.51 120.51 1q86 h ILE 33 Ca 0.34 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.16 1q86 h ILE 33 Cb 0.39 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1q86 h ILE 33 CO -0.29 0.00 0.16 -0.09 0.00 0.00 0.00 178.15 177.93 1q86 h ARG 34 N -0.10 0.79 -0.14 2.37 2.43 -1.31 -1.72 114.38 116.69 1q86 h ARG 34 Ca 0.11 -0.14 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 1q86 h ARG 34 Cb 0.27 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1q86 h ARG 34 CO -0.26 0.69 -0.45 0.93 -1.51 0.00 0.00 179.97 179.37 1q86 h GLU 35 N 0.77 0.34 0.04 0.20 5.08 -0.12 -2.12 114.58 118.77 1q86 h GLU 35 Ca 0.18 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1q86 h GLU 35 Cb 0.24 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1q86 h GLU 35 CO -0.01 0.73 -0.02 1.25 -1.00 0.00 0.00 179.01 179.96 1q86 h HIS 36 N 0.28 -0.05 -0.49 4.33 2.76 -0.03 -2.66 115.15 119.30 1q86 h HIS 36 Ca 0.02 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 1q86 h HIS 36 Cb 0.91 0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.86 1q86 h HIS 36 CO 0.02 0.31 0.27 -0.07 -1.30 0.00 0.00 177.93 177.16 1q86 h LEU 37 N -0.41 0.61 -1.36 0.26 3.38 -1.33 -0.63 115.31 115.83 1q86 h LEU 37 Ca -0.01 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 57.92 1q86 h LEU 37 Cb 0.38 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1q86 h LEU 37 CO 0.01 0.52 0.47 0.00 0.09 0.00 0.00 178.44 179.53 1q86 h ALA 38 N 1.11 1.66 0.05 1.53 0.00 -1.40 0.34 119.26 122.55 1q86 h ALA 38 Ca 0.17 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1q86 h ALA 38 Cb 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1q86 h ALA 38 CO -0.03 0.25 -0.02 -0.22 0.00 0.00 0.00 179.25 179.22 1q86 h LYS 39 N 0.80 -0.07 0.00 0.00 3.64 -1.09 0.48 116.57 120.33 1q86 h LYS 39 Ca 0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1q86 h LYS 39 Cb 0.17 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1q86 h LYS 39 CO -0.09 0.39 0.00 0.45 -2.27 0.00 0.00 179.45 177.92 1q86 h HIS 40 N -0.97 0.00 -0.22 1.91 3.86 -1.05 -2.40 115.15 116.28 1q86 h HIS 40 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1q86 h HIS 40 Cb 0.48 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.95 1q86 h HIS 40 CO 0.12 0.00 0.00 1.19 0.86 0.00 0.00 177.93 180.10 1q86 n PHE 41 N -2.36 0.38 -3.73 2.45 3.01 0.10 -5.01 117.46 112.30 1q86 n PHE 41 Ca 0.00 -0.58 -0.28 0.00 1.01 0.00 0.00 57.45 57.60 1q86 n PHE 41 Cb 0.16 -0.08 0.02 0.00 -0.01 0.00 0.00 39.48 39.57 1q86 n PHE 41 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1q86 n SER 42 N -0.01 -5.23 -4.06 4.37 7.64 -0.90 -4.99 113.62 110.44 1q86 n SER 42 Ca 0.10 -0.94 -0.10 0.00 1.01 0.00 0.00 58.87 58.94 1q86 n SER 42 Cb 0.46 -2.63 -0.08 0.00 -1.01 0.00 0.00 64.21 60.95 1q86 n SER 42 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1q86 s VAL 43 N -3.24 0.03 0.15 0.44 1.01 0.14 -4.98 120.40 113.94 1q86 s VAL 43 Ca 0.25 -1.62 -0.21 0.00 0.00 0.00 0.00 61.98 60.39 1q86 s VAL 43 Cb -0.11 -2.14 -0.08 0.00 0.00 0.00 0.00 36.38 34.05 1q86 s VAL 43 CO 0.88 -0.15 0.68 -1.81 0.00 0.00 0.00 175.10 174.70 1q86 s ASP 44 N -3.04 7.15 0.37 3.32 1.11 -1.26 -4.47 116.67 119.84 1q86 s ASP 44 Ca 0.25 1.42 0.22 0.00 0.18 0.00 0.00 52.55 54.63 1q86 s ASP 44 Cb 0.04 -2.42 1.22 0.00 1.07 0.00 0.00 42.92 42.83 1q86 s ASP 44 CO 0.06 0.17 1.67 -0.33 1.18 0.00 0.00 175.17 177.92 1q86 h GLU 45 N 4.08 0.00 0.00 8.23 5.08 -1.91 0.44 114.58 130.51 1q86 h GLU 45 Ca -0.48 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.74 1q86 h GLU 45 Cb 1.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 1q86 h GLU 45 CO 0.65 0.00 -0.68 -0.44 -1.00 0.00 0.00 179.01 177.54 1q86 h ASP 46 N 0.00 0.00 0.58 1.42 3.32 -1.97 -3.27 116.42 116.50 1q86 h ASP 46 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1q86 h ASP 46 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1q86 h ASP 46 CO 0.00 0.68 -0.49 0.00 -1.72 0.00 0.00 179.24 177.71 1q86 n ALA 47 N -2.29 3.39 -2.64 3.45 0.00 0.15 -4.86 120.51 117.71 1q86 n ALA 47 Ca 0.01 -0.32 -0.42 0.00 0.00 0.00 0.00 53.44 52.71 1q86 n ALA 47 Cb 0.78 -1.15 -0.04 0.00 0.00 0.00 0.00 19.45 19.04 1q86 n ALA 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1q86 s VAL 48 N -3.02 4.78 -0.21 0.00 1.01 -1.13 -2.99 120.40 118.84 1q86 s VAL 48 Ca 0.10 1.66 -0.05 0.00 0.00 0.00 0.00 61.98 63.69 1q86 s VAL 48 Cb 0.17 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 1q86 s VAL 48 CO 0.69 -0.13 0.01 -0.60 0.00 0.00 0.00 175.10 175.07 1q86 s ARG 49 N 2.97 3.61 -0.33 2.72 3.52 -0.38 -5.00 118.95 126.07 1q86 s ARG 49 Ca 0.37 -0.52 -0.11 0.00 -0.13 0.00 0.00 55.73 55.34 1q86 s ARG 49 Cb -0.15 -3.11 -0.01 0.00 -1.56 0.00 0.00 34.95 30.12 1q86 s ARG 49 CO 0.08 -0.03 0.19 -0.51 -0.81 0.00 0.00 175.30 174.22 1q86 s LEU 50 N 1.12 4.32 0.34 -0.88 1.43 -1.26 -1.36 118.68 122.39 1q86 s LEU 50 Ca 0.03 -0.52 -0.29 0.00 -1.03 0.00 0.00 54.13 52.32 1q86 s LEU 50 Cb -0.14 -2.06 -0.11 0.00 0.03 0.00 0.00 46.19 43.90 1q86 s LEU 50 CO 0.02 -0.23 1.51 -0.67 0.23 0.00 0.00 176.35 177.21 1q86 n ASP 51 N 5.03 3.68 -0.26 2.29 -0.08 0.11 -4.81 116.55 122.51 1q86 n ASP 51 Ca -0.13 1.19 0.32 0.00 -1.51 0.00 0.00 54.79 54.66 1q86 n ASP 51 Cb 0.49 -1.59 0.61 0.00 2.34 0.00 0.00 41.12 42.97 1q86 n ASP 51 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1q86 h PRO 52 N 3.67 0.00 -0.08 -0.67 0.11 -1.97 0.11 132.00 133.17 1q86 h PRO 52 Ca -0.49 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.66 1q86 h PRO 52 Cb 1.24 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.29 1q86 h PRO 52 CO 0.70 0.00 -0.45 0.66 -0.21 0.00 0.00 178.00 178.70 1q86 h SER 53 N 0.00 -1.41 -0.44 -2.05 4.64 -1.93 0.21 113.55 112.58 1q86 h SER 53 Ca 0.52 0.18 0.09 0.00 -0.47 0.00 0.00 61.79 62.11 1q86 h SER 53 Cb 2.64 0.56 -0.09 0.00 -0.31 0.00 0.00 62.40 65.20 1q86 h SER 53 CO -0.01 -0.46 -0.17 0.40 -0.87 0.00 0.00 176.83 175.73 1q86 h ILE 54 N -0.55 0.45 0.00 0.95 2.04 -1.10 0.80 117.51 120.10 1q86 h ILE 54 Ca 0.05 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.95 1q86 h ILE 54 Cb 0.66 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 1q86 h ILE 54 CO -0.38 0.00 -0.31 -1.13 0.00 0.00 0.00 178.15 176.33 1q86 h ASN 55 N -0.08 -0.92 -0.04 1.72 -1.24 -1.24 -0.80 115.58 112.99 1q86 h ASN 55 Ca 0.21 0.12 0.00 0.00 0.71 0.00 0.00 56.30 57.34 1q86 h ASN 55 Cb 0.40 0.37 -0.00 0.00 0.73 0.00 0.00 38.32 39.82 1q86 h ASN 55 CO -0.49 -0.37 0.03 -0.33 -1.29 0.00 0.00 177.43 174.97 1q86 h GLU 56 N -0.46 0.05 -0.27 6.67 5.08 0.18 -1.60 114.58 124.23 1q86 h GLU 56 Ca 0.06 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1q86 h GLU 56 Cb 0.54 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1q86 h GLU 56 CO -0.26 0.03 0.05 0.00 -1.00 0.00 0.00 179.01 177.84 1q86 h ALA 57 N 1.97 0.35 0.00 3.43 0.00 0.50 -0.40 119.26 125.12 1q86 h ALA 57 Ca 0.02 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1q86 h ALA 57 Cb -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1q86 h ALA 57 CO -0.00 0.03 -0.44 0.00 0.00 0.00 0.00 179.25 178.83 1q86 h ALA 58 N 0.87 1.16 -0.15 0.00 0.00 -0.50 -2.92 119.26 117.73 1q86 h ALA 58 Ca 0.08 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1q86 h ALA 58 Cb 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1q86 h ALA 58 CO 0.00 0.55 0.00 0.91 0.00 0.00 0.00 179.25 180.72 1q86 n TRP 59 N -3.85 0.17 -0.36 0.00 7.02 -0.68 -4.53 117.44 115.21 1q86 n TRP 59 Ca -0.01 -0.08 0.07 0.00 -1.02 0.00 0.00 57.50 56.45 1q86 n TRP 59 Cb 0.49 0.00 0.16 0.00 -2.42 0.00 0.00 31.31 29.54 1q86 n TRP 59 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1q86 h ALA 60 N 4.53 0.72 -0.80 6.99 0.00 -0.86 -0.67 119.26 129.17 1q86 h ALA 60 Ca 0.00 0.38 -0.46 0.00 0.00 0.00 0.00 54.91 54.83 1q86 h ALA 60 Cb 0.86 0.74 -0.26 0.00 0.00 0.00 0.00 17.79 19.13 1q86 h ALA 60 CO 0.00 -0.41 0.38 0.54 0.00 0.00 0.00 179.25 179.77 1q86 n ARG 61 N -5.61 2.32 0.00 0.00 1.74 -1.26 -5.06 116.66 108.79 1q86 n ARG 61 Ca 0.17 -3.21 0.00 0.00 -0.77 0.00 0.00 57.85 54.04 1q86 n ARG 61 Cb 0.53 -2.11 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 1q86 n ARG 61 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q86 n GLY 62 N -1.07 0.58 0.22 -0.13 0.00 -0.26 -4.03 105.19 100.51 1q86 n GLY 62 Ca 0.52 -2.08 0.12 0.00 0.00 0.00 0.00 46.02 44.58 1q86 n GLY 62 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1q86 h ARG 63 N 0.00 0.00 -0.01 1.61 2.43 -1.89 -3.30 114.38 113.22 1q86 h ARG 63 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1q86 h ARG 63 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1q86 h ARG 63 CO 0.00 0.04 -0.52 0.00 -1.51 0.00 0.00 179.97 177.99 1q86 n ALA 64 N -2.11 3.59 -3.20 2.80 0.00 -1.26 -1.03 120.51 119.30 1q86 n ALA 64 Ca 0.03 -0.53 -0.30 0.00 0.00 0.00 0.00 53.44 52.64 1q86 n ALA 64 Cb 0.50 -0.61 -0.05 0.00 0.00 0.00 0.00 19.45 19.30 1q86 n ALA 64 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1q86 n ASN 65 N -0.58 4.56 -4.76 0.00 3.02 -1.24 -4.78 115.26 111.47 1q86 n ASN 65 Ca 0.06 -3.52 -0.40 0.00 -0.03 0.00 0.00 54.58 50.69 1q86 n ASN 65 Cb 0.33 -0.76 -0.06 0.00 -0.61 0.00 0.00 39.78 38.68 1q86 n ASN 65 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1q86 s THR 66 N -3.12 4.60 0.62 3.41 2.01 -1.26 -4.29 115.64 117.61 1q86 s THR 66 Ca 0.41 1.60 -0.18 0.00 0.31 0.00 0.00 61.69 63.83 1q86 s THR 66 Cb 0.17 -4.10 -0.02 0.00 0.01 0.00 0.00 72.50 68.56 1q86 s THR 66 CO -0.03 0.44 1.26 -2.16 -0.69 0.00 0.00 174.62 173.44 1q86 s PRO 67 N -0.57 2.75 0.50 4.92 0.04 -1.26 -4.93 135.00 136.46 1q86 s PRO 67 Ca 0.36 1.96 0.26 0.00 0.04 0.00 0.00 61.00 63.62 1q86 s PRO 67 Cb -0.21 -1.89 1.33 0.00 0.04 0.00 0.00 34.50 33.77 1q86 s PRO 67 CO 0.24 -1.41 2.02 0.66 0.04 0.00 0.00 177.00 178.55 1q86 h SER 68 N 0.72 0.00 -3.40 6.66 4.64 -1.96 -3.43 113.55 116.78 1q86 h SER 68 Ca -0.51 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.58 1q86 h SER 68 Cb 1.32 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.35 1q86 h SER 68 CO 0.54 0.15 -0.22 0.29 -0.87 0.00 0.00 176.83 176.72 1q86 n LYS 69 N -3.65 0.24 -3.32 4.77 5.02 -1.26 0.15 118.16 120.10 1q86 n LYS 69 Ca -0.02 -1.71 0.03 0.00 -2.02 0.00 0.00 58.31 54.59 1q86 n LYS 69 Cb 0.27 1.43 -0.04 0.00 -0.02 0.00 0.00 35.03 36.67 1q86 n LYS 69 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1q86 s ILE 70 N -2.70 -0.20 0.07 -0.18 2.07 -0.78 -4.87 121.20 114.61 1q86 s ILE 70 Ca 0.20 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.15 1q86 s ILE 70 Cb 0.01 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.55 1q86 s ILE 70 CO 0.14 0.00 0.93 -0.13 -1.91 0.00 0.00 174.94 173.98 1q86 s ARG 71 N 2.06 4.63 -0.01 3.50 0.52 -1.26 -0.73 118.95 127.65 1q86 s ARG 71 Ca -0.02 1.38 0.00 0.00 -0.52 0.00 0.00 55.73 56.57 1q86 s ARG 71 Cb -0.03 -3.40 0.01 0.00 0.52 0.00 0.00 34.95 32.05 1q86 s ARG 71 CO -0.16 0.15 -0.00 0.54 0.02 0.00 0.00 175.30 175.85 1q86 s VAL 72 N 0.29 0.08 -0.22 3.52 0.11 0.30 -4.05 120.40 120.42 1q86 s VAL 72 Ca 0.47 0.03 -0.10 0.00 -2.93 0.00 0.00 61.98 59.45 1q86 s VAL 72 Cb -0.22 -0.12 -0.05 0.00 -1.53 0.00 0.00 36.38 34.46 1q86 s VAL 72 CO 0.28 0.06 0.13 -0.60 -3.33 0.00 0.00 175.10 171.64 1q86 s ARG 73 N 0.39 4.03 0.15 1.54 3.52 -0.35 0.33 118.95 128.56 1q86 s ARG 73 Ca -0.03 -0.30 0.06 0.00 -0.13 0.00 0.00 55.73 55.32 1q86 s ARG 73 Cb -0.06 -3.44 -0.04 0.00 -1.56 0.00 0.00 34.95 29.85 1q86 s ARG 73 CO -0.01 0.11 -0.12 0.00 -0.81 0.00 0.00 175.30 174.47 1q86 s ALA 74 N 0.90 1.57 0.04 6.12 0.00 -0.65 -1.08 121.76 128.66 1q86 s ALA 74 Ca 0.06 -1.46 0.03 0.00 0.00 0.00 0.00 51.96 50.59 1q86 s ALA 74 Cb -0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 1q86 s ALA 74 CO 0.03 -0.00 -0.09 0.00 0.00 0.00 0.00 175.76 175.69 1q86 s ALA 75 N -2.88 0.74 -0.06 0.00 0.00 -0.36 -1.41 121.76 117.79 1q86 s ALA 75 Ca 0.15 -0.70 0.05 0.00 0.00 0.00 0.00 51.96 51.46 1q86 s ALA 75 Cb -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 1q86 s ALA 75 CO 0.03 0.08 -0.22 0.50 0.00 0.00 0.00 175.76 176.14 1q86 s ARG 76 N -1.23 2.35 0.00 0.00 3.52 -1.26 -1.59 118.95 120.74 1q86 s ARG 76 Ca -0.04 -0.79 0.00 0.00 -0.13 0.00 0.00 55.73 54.77 1q86 s ARG 76 Cb -0.08 -1.96 0.00 0.00 -1.56 0.00 0.00 34.95 31.35 1q86 s ARG 76 CO 0.01 0.29 0.00 1.97 -0.81 0.00 0.00 175.30 176.76 1q86 n PHE 77 N 3.14 0.00 -0.21 5.12 1.16 -0.27 -4.73 117.46 121.66 1q86 n PHE 77 Ca -0.18 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.40 1q86 n PHE 77 Cb 0.52 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.39 1q86 n PHE 77 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 1q86 n GLU 78 N 0.00 0.00 0.00 3.97 2.13 -1.26 -1.51 120.64 123.97 1q86 n GLU 78 Ca 0.00 0.00 0.15 0.00 0.66 0.00 0.00 57.16 57.97 1q86 n GLU 78 Cb 0.00 0.00 0.77 0.00 0.27 0.00 0.00 31.44 32.48 1q86 n GLU 78 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1q86 n GLU 79 N -0.93 0.54 0.00 5.31 -0.00 -1.26 -3.46 120.64 120.84 1q86 n GLU 79 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.16 57.17 1q86 n GLU 79 Cb 0.00 -1.50 0.00 0.00 -0.00 0.00 0.00 31.44 29.94 1q86 n GLU 79 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1q86 n GLU 80 N -1.22 0.93 -0.13 3.44 2.13 -1.26 -5.11 120.64 119.42 1q86 n GLU 80 Ca 0.16 -0.18 0.00 0.00 0.66 0.00 0.00 57.16 57.80 1q86 n GLU 80 Cb 0.20 -0.60 0.00 0.00 0.27 0.00 0.00 31.44 31.32 1q86 n GLU 80 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1q86 n GLY 81 N 0.18 -3.16 3.59 8.31 0.00 -1.22 -4.99 105.19 107.89 1q86 n GLY 81 Ca 0.00 -0.94 -0.05 0.00 0.00 0.00 0.00 46.02 45.03 1q86 n GLY 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1q86 s GLU 82 N -3.77 0.62 -0.02 1.61 -1.05 -0.57 -4.84 118.70 110.68 1q86 s GLU 82 Ca 0.00 -0.27 0.02 0.00 -0.15 0.00 0.00 54.97 54.57 1q86 s GLU 82 Cb 0.00 0.26 0.00 0.00 -0.44 0.00 0.00 34.13 33.95 1q86 s GLU 82 CO 0.00 -0.28 -0.07 0.00 0.95 0.00 0.00 175.26 175.86 1q86 s ALA 83 N -2.78 0.73 -0.08 -0.84 0.00 -1.16 -1.12 121.76 116.51 1q86 s ALA 83 Ca 0.09 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 51.80 1q86 s ALA 83 Cb -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 1q86 s ALA 83 CO -0.05 0.11 -0.13 0.42 0.00 0.00 0.00 175.76 176.11 1q86 s ILE 84 N 0.20 3.12 0.08 0.00 1.01 -0.62 -1.24 121.20 123.75 1q86 s ILE 84 Ca -0.03 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 59.96 1q86 s ILE 84 Cb -0.08 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 1q86 s ILE 84 CO 0.00 0.56 -0.06 -0.69 0.00 0.00 0.00 174.94 174.76 1q86 s VAL 85 N -0.30 0.57 0.32 2.92 1.01 -0.46 -1.22 120.40 123.23 1q86 s VAL 85 Ca 0.03 -1.77 -0.11 0.00 0.00 0.00 0.00 61.98 60.12 1q86 s VAL 85 Cb -0.13 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.80 1q86 s VAL 85 CO 0.03 -0.82 0.60 -1.83 0.00 0.00 0.00 175.10 173.08 1q86 s GLU 86 N -3.49 1.91 0.31 2.72 -1.05 -0.24 0.04 118.70 118.89 1q86 s GLU 86 Ca 0.07 -1.44 -0.05 0.00 -0.15 0.00 0.00 54.97 53.40 1q86 s GLU 86 Cb 0.03 0.53 0.08 0.00 -0.44 0.00 0.00 34.13 34.33 1q86 s GLU 86 CO -0.05 -0.84 0.22 0.00 0.95 0.00 0.00 175.26 175.54 1q86 n ALA 87 N -0.49 -1.01 -1.25 -0.84 0.00 -1.26 -1.22 120.51 114.45 1q86 n ALA 87 Ca -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1q86 n ALA 87 Cb 0.61 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1q86 n ALA 87 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89