#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q86 n HIS 11 N 0.00 -1.73 0.00 2.97 1.44 -1.26 -3.64 115.22 113.00 1q86 n HIS 11 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1q86 n HIS 11 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1q86 n HIS 11 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1q86 n GLU 12 N -1.48 0.00 -0.69 -1.40 2.13 -1.26 -4.16 120.64 113.78 1q86 n GLU 12 Ca 0.00 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.90 1q86 n GLU 12 Cb 0.00 -0.11 0.35 0.00 0.27 0.00 0.00 31.44 31.95 1q86 n GLU 12 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 1q86 n MET 13 N 0.00 4.08 0.00 5.31 2.81 -1.24 -4.13 117.12 123.95 1q86 n MET 13 Ca 0.00 -2.98 0.00 0.00 -1.81 0.00 0.00 57.70 52.91 1q86 n MET 13 Cb 0.00 -2.04 0.00 0.00 -0.71 0.00 0.00 33.22 30.47 1q86 n MET 13 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1q86 n ARG 14 N 0.47 4.16 -2.33 0.03 5.12 -1.26 -4.47 116.66 118.39 1q86 n ARG 14 Ca 0.25 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.75 1q86 n ARG 14 Cb 1.02 -0.62 -0.03 0.00 -1.16 0.00 0.00 32.46 31.67 1q86 n ARG 14 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1q86 s GLU 15 N -0.56 4.35 1.01 5.56 -1.05 -1.26 -4.83 118.70 121.92 1q86 s GLU 15 Ca 0.00 1.85 -0.25 0.00 -0.15 0.00 0.00 54.97 56.42 1q86 s GLU 15 Cb 0.00 -3.46 -0.15 0.00 -0.44 0.00 0.00 34.13 30.08 1q86 s GLU 15 CO 0.00 -0.43 -1.23 -2.30 0.95 0.00 0.00 175.26 172.25 1q86 n PRO 16 N 4.72 -0.19 -3.56 -4.83 -0.02 -1.26 -4.57 135.00 125.28 1q86 n PRO 16 Ca 0.11 -0.05 -0.09 0.00 -2.02 0.00 0.00 63.50 61.45 1q86 n PRO 16 Cb 0.45 -1.10 -0.04 0.00 -0.02 0.00 0.00 33.50 32.79 1q86 n PRO 16 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1q86 s ARG 17 N -2.20 0.62 -0.23 -0.52 1.70 -0.97 -4.96 118.95 112.39 1q86 s ARG 17 Ca 0.39 -0.03 -0.21 0.00 -0.47 0.00 0.00 55.73 55.41 1q86 s ARG 17 Cb 0.03 0.29 -0.02 0.00 -0.57 0.00 0.00 34.95 34.68 1q86 s ARG 17 CO 0.69 -0.23 0.65 0.42 -1.08 0.00 0.00 175.30 175.75 1q86 s ILE 18 N -1.90 4.98 -0.31 4.99 1.01 -1.26 -2.69 121.20 126.01 1q86 s ILE 18 Ca 0.02 1.20 -0.00 0.00 0.00 0.00 0.00 60.65 61.87 1q86 s ILE 18 Cb -0.01 -3.96 0.07 0.00 0.01 0.00 0.00 42.46 38.57 1q86 s ILE 18 CO -0.03 0.05 0.00 -0.70 0.00 0.00 0.00 174.94 174.27 1q86 s GLU 19 N 2.31 2.23 0.52 2.79 2.12 -0.31 -4.61 118.70 123.74 1q86 s GLU 19 Ca 0.28 -1.42 0.00 0.00 0.36 0.00 0.00 54.97 54.19 1q86 s GLU 19 Cb -0.16 -3.16 0.00 0.00 0.26 0.00 0.00 34.13 31.07 1q86 s GLU 19 CO 0.09 -0.70 0.00 0.36 -0.54 0.00 0.00 175.26 174.47 1q86 n LYS 20 N 4.53 -4.27 -3.71 4.30 2.85 -1.20 -3.78 118.16 116.88 1q86 n LYS 20 Ca -0.10 3.21 -0.28 0.00 -1.05 0.00 0.00 58.31 60.09 1q86 n LYS 20 Cb 0.43 -3.76 -0.16 0.00 -0.65 0.00 0.00 35.03 30.89 1q86 n LYS 20 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1q86 s VAL 21 N -3.90 0.51 -0.30 0.58 1.01 0.43 -2.45 120.40 116.28 1q86 s VAL 21 Ca 0.00 -0.77 -0.22 0.00 0.00 0.00 0.00 61.98 60.99 1q86 s VAL 21 Cb 0.00 -1.16 -0.00 0.00 0.00 0.00 0.00 36.38 35.22 1q86 s VAL 21 CO 0.00 -0.39 0.73 -0.69 0.00 0.00 0.00 175.10 174.75 1q86 s VAL 22 N 1.84 4.84 -0.33 2.92 1.01 -0.61 -2.23 120.40 127.85 1q86 s VAL 22 Ca 0.03 1.08 -0.06 0.00 0.00 0.00 0.00 61.98 63.04 1q86 s VAL 22 Cb -0.17 -4.09 0.04 0.00 0.00 0.00 0.00 36.38 32.15 1q86 s VAL 22 CO -0.16 -0.21 0.08 0.68 0.00 0.00 0.00 175.10 175.50 1q86 s VAL 23 N 2.83 3.64 0.05 2.92 -7.23 -0.39 -0.76 120.40 121.46 1q86 s VAL 23 Ca 0.30 -1.12 0.04 0.00 -1.81 0.00 0.00 61.98 59.39 1q86 s VAL 23 Cb -0.14 -3.04 -0.02 0.00 0.56 0.00 0.00 36.38 33.73 1q86 s VAL 23 CO 0.12 -0.13 -0.12 -2.28 -0.31 0.00 0.00 175.10 172.38 1q86 s HIS 24 N 1.39 1.08 -0.41 2.82 5.04 -0.74 -1.66 115.29 122.82 1q86 s HIS 24 Ca -0.02 -0.39 -0.02 0.00 -1.54 0.00 0.00 55.06 53.09 1q86 s HIS 24 Cb -0.19 -0.63 0.11 0.00 0.04 0.00 0.00 32.58 31.91 1q86 s HIS 24 CO 0.02 0.02 0.20 -1.64 -2.34 0.00 0.00 174.74 170.99 1q86 s MET 25 N -1.31 1.97 -1.17 2.88 -1.94 -0.79 -1.45 119.30 117.48 1q86 s MET 25 Ca -0.01 -1.85 -0.21 0.00 -1.71 0.00 0.00 55.69 51.91 1q86 s MET 25 Cb -0.08 -3.55 -0.00 0.00 2.01 0.00 0.00 34.83 33.20 1q86 s MET 25 CO 0.01 -1.06 1.79 0.20 -0.01 0.00 0.00 175.02 175.95 1q86 s GLY 26 N 1.71 0.90 0.32 -0.03 0.00 -1.26 -3.44 107.32 105.51 1q86 s GLY 26 Ca 0.09 -2.39 -0.04 0.00 0.00 0.00 0.00 44.72 42.38 1q86 s GLY 26 CO -0.05 3.10 0.44 1.39 0.00 0.00 0.00 173.10 177.98 1q86 n ILE 27 N 7.13 0.00 -1.24 0.90 5.41 -1.16 -5.01 119.36 125.40 1q86 n ILE 27 Ca 0.44 -0.42 0.08 0.00 1.00 0.00 0.00 62.75 63.85 1q86 n ILE 27 Cb 0.47 -1.61 0.17 0.00 -0.71 0.00 0.00 39.64 37.96 1q86 n ILE 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1q86 n GLY 28 N 2.00 4.91 0.00 7.39 0.00 -1.26 -4.57 105.19 113.66 1q86 n GLY 28 Ca 0.06 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1q86 n GLY 28 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1q86 n HIS 29 N -1.27 0.00 -3.76 1.61 -0.00 -1.26 -4.97 115.22 105.57 1q86 n HIS 29 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.90 1q86 n HIS 29 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.68 1q86 n HIS 29 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1q86 n ALA 35 N 0.00 0.00 0.13 1.59 0.00 -1.26 -4.71 120.51 116.26 1q86 n ALA 35 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1q86 n ALA 35 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 1q86 n ALA 35 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1q86 n ASN 36 N 2.07 0.10 0.15 0.00 6.94 -1.26 0.29 115.26 123.55 1q86 n ASN 36 Ca 0.00 0.31 -0.00 0.00 -0.02 0.00 0.00 54.58 54.87 1q86 n ASN 36 Cb 0.00 -0.17 0.23 0.00 -2.36 0.00 0.00 39.78 37.48 1q86 n ASN 36 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1q86 h ALA 37 N 0.44 1.10 -0.81 -2.53 0.00 -2.01 -3.26 119.26 112.19 1q86 h ALA 37 Ca 0.00 -0.49 0.19 0.00 0.00 0.00 0.00 54.91 54.61 1q86 h ALA 37 Cb 1.09 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.65 1q86 h ALA 37 CO 0.00 0.68 0.01 0.93 0.00 0.00 0.00 179.25 180.87 1q86 h GLU 38 N 0.00 0.09 -0.95 0.00 5.08 -0.60 -2.01 114.58 116.19 1q86 h GLU 38 Ca -0.01 -0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.50 1q86 h GLU 38 Cb 0.96 -0.02 -0.16 0.00 0.50 0.00 0.00 28.75 30.04 1q86 h GLU 38 CO 0.07 0.06 -0.37 -0.44 -1.00 0.00 0.00 179.01 177.33 1q86 h ASP 39 N 0.09 -1.35 0.01 1.42 3.32 -1.78 0.49 116.42 118.62 1q86 h ASP 39 Ca 0.45 0.30 -0.10 0.00 0.02 0.00 0.00 57.03 57.71 1q86 h ASP 39 Cb 0.83 0.72 -0.01 0.00 0.22 0.00 0.00 39.33 41.09 1q86 h ASP 39 CO -0.72 -0.29 -0.29 0.16 -1.72 0.00 0.00 179.24 176.38 1q86 h ILE 40 N -0.02 1.27 -0.55 0.35 3.07 -1.60 -2.62 117.51 117.40 1q86 h ILE 40 Ca 0.35 -1.31 -0.08 0.00 1.55 0.00 0.00 64.86 65.37 1q86 h ILE 40 Cb 0.60 1.42 -0.02 0.00 -0.27 0.00 0.00 36.82 38.55 1q86 h ILE 40 CO -0.95 0.41 0.02 -0.07 -1.05 0.00 0.00 178.15 176.51 1q86 h LEU 41 N 0.37 0.93 -0.28 0.16 3.38 -0.91 0.20 115.31 119.16 1q86 h LEU 41 Ca 0.05 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.76 1q86 h LEU 41 Cb 0.69 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1q86 h LEU 41 CO 0.05 1.00 0.09 1.23 0.09 0.00 0.00 178.44 180.90 1q86 h GLY 42 N 0.83 0.34 1.27 0.83 0.00 -0.86 -0.11 103.07 105.39 1q86 h GLY 42 Ca 0.16 -0.06 -0.18 0.00 0.00 0.00 0.00 47.33 47.25 1q86 h GLY 42 CO 0.02 0.03 -0.55 0.83 0.00 0.00 0.00 176.54 176.87 1q86 h GLU 43 N 0.22 0.76 0.00 4.80 5.08 -1.33 0.14 114.58 124.25 1q86 h GLU 43 Ca 0.12 -0.48 -0.06 0.00 -1.00 0.00 0.00 59.36 57.93 1q86 h GLU 43 Cb 0.09 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1q86 h GLU 43 CO -0.13 1.11 -0.30 0.97 -1.00 0.00 0.00 179.01 179.66 1q86 h ILE 44 N 0.58 1.03 0.00 3.13 2.10 -0.33 -3.37 117.51 120.65 1q86 h ILE 44 Ca 0.01 -1.11 0.00 0.00 1.08 0.00 0.00 64.86 64.84 1q86 h ILE 44 Cb 1.14 1.63 0.00 0.00 -1.09 0.00 0.00 36.82 38.50 1q86 h ILE 44 CO 0.12 0.30 -0.46 0.35 -1.08 0.00 0.00 178.15 177.37 1q86 n THR 45 N -3.91 0.77 0.00 2.19 -2.24 -0.08 -4.94 114.28 106.07 1q86 n THR 45 Ca -0.02 0.30 0.00 0.00 -2.27 0.00 0.00 64.05 62.06 1q86 n THR 45 Cb 0.38 -1.87 0.00 0.00 -2.10 0.00 0.00 70.33 66.74 1q86 n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1q86 n GLY 46 N 1.73 -0.26 3.26 3.38 0.00 0.49 -4.92 105.19 108.88 1q86 n GLY 46 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 1q86 n GLY 46 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1q86 s GLN 47 N 0.00 0.89 0.39 1.61 -2.07 -1.23 -5.03 119.66 114.22 1q86 s GLN 47 Ca 0.00 -0.63 -0.24 0.00 -1.82 0.00 0.00 55.36 52.67 1q86 s GLN 47 Cb 0.00 0.38 -0.12 0.00 -1.09 0.00 0.00 33.01 32.18 1q86 s GLN 47 CO 0.00 -0.30 0.84 -1.33 -1.32 0.00 0.00 175.29 173.17 1q86 n MET 48 N 0.26 1.03 -2.54 9.60 2.81 -1.26 -4.42 117.12 122.60 1q86 n MET 48 Ca -0.17 0.37 -0.22 0.00 -1.81 0.00 0.00 57.70 55.86 1q86 n MET 48 Cb 0.61 -1.79 0.04 0.00 -0.71 0.00 0.00 33.22 31.38 1q86 n MET 48 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1q86 s PRO 49 N -1.76 2.45 -0.04 0.03 0.05 -1.26 -4.86 135.00 129.61 1q86 s PRO 49 Ca 0.63 -0.67 0.05 0.00 0.05 0.00 0.00 61.00 61.06 1q86 s PRO 49 Cb -0.61 -2.41 -0.01 0.00 0.05 0.00 0.00 34.50 31.52 1q86 s PRO 49 CO 0.58 -0.84 -0.21 0.08 0.05 0.00 0.00 177.00 176.65 1q86 s VAL 50 N -2.88 1.71 0.85 -0.36 1.01 0.10 -4.90 120.40 115.93 1q86 s VAL 50 Ca 0.58 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 61.54 1q86 s VAL 50 Cb -0.10 -1.45 0.06 0.00 0.00 0.00 0.00 36.38 34.88 1q86 s VAL 50 CO 0.40 0.48 0.85 0.54 0.00 0.00 0.00 175.10 177.37 1q86 n ARG 51 N 2.96 -0.02 -3.68 2.72 5.12 -1.26 -1.60 116.66 120.89 1q86 n ARG 51 Ca -0.17 0.06 -0.29 0.00 -1.93 0.00 0.00 57.85 55.51 1q86 n ARG 51 Cb 0.52 -2.16 -0.13 0.00 -1.16 0.00 0.00 32.46 29.54 1q86 n ARG 51 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1q86 s THR 52 N -2.23 1.19 0.92 0.55 2.01 0.25 -4.76 115.64 113.56 1q86 s THR 52 Ca 0.66 -2.32 -0.12 0.00 0.31 0.00 0.00 61.69 60.23 1q86 s THR 52 Cb -0.27 -1.84 0.14 0.00 0.01 0.00 0.00 72.50 70.54 1q86 s THR 52 CO 0.58 -0.88 1.09 -0.54 -0.69 0.00 0.00 174.62 174.18 1q86 s LYS 53 N 0.59 1.08 0.20 4.92 1.02 -1.25 -1.12 119.74 125.17 1q86 s LYS 53 Ca 0.17 0.76 0.07 0.00 0.02 0.00 0.00 55.97 56.99 1q86 s LYS 53 Cb -0.24 -1.79 -0.05 0.00 -0.52 0.00 0.00 37.83 35.23 1q86 s LYS 53 CO -0.02 -2.35 -0.12 0.00 -0.92 0.00 0.00 175.35 171.94 1q86 s ALA 54 N -2.94 1.90 0.11 5.17 0.00 -1.17 -4.86 121.76 119.98 1q86 s ALA 54 Ca 0.64 -1.64 0.07 0.00 0.00 0.00 0.00 51.96 51.02 1q86 s ALA 54 Cb -0.18 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 1q86 s ALA 54 CO 0.57 0.01 -0.08 0.15 0.00 0.00 0.00 175.76 176.41 1q86 s LYS 55 N -3.68 2.21 0.20 0.00 1.02 -1.26 -4.24 119.74 113.99 1q86 s LYS 55 Ca 0.22 -1.01 0.00 0.00 0.02 0.00 0.00 55.97 55.20 1q86 s LYS 55 Cb 0.01 -2.34 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 1q86 s LYS 55 CO 0.06 0.51 0.00 0.54 -0.92 0.00 0.00 175.35 175.54 1q86 n ARG 56 N 0.61 -1.69 -3.13 1.68 1.74 -1.26 -4.96 116.66 109.64 1q86 n ARG 56 Ca -0.13 1.27 -0.39 0.00 -0.77 0.00 0.00 57.85 57.84 1q86 n ARG 56 Cb 0.52 -1.46 -0.06 0.00 -1.02 0.00 0.00 32.46 30.44 1q86 n ARG 56 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1q86 s THR 57 N -2.97 4.66 0.09 0.55 2.01 -1.26 -4.73 115.64 113.99 1q86 s THR 57 Ca 0.00 1.43 -0.06 0.00 0.31 0.00 0.00 61.69 63.37 1q86 s THR 57 Cb 0.00 -4.01 -0.01 0.00 0.01 0.00 0.00 72.50 68.49 1q86 s THR 57 CO 0.00 0.49 0.14 -0.69 -0.69 0.00 0.00 174.62 173.87 1q86 s VAL 58 N -0.78 0.15 0.52 3.82 1.01 0.96 -4.91 120.40 121.17 1q86 s VAL 58 Ca 0.33 -1.41 0.18 0.00 0.00 0.00 0.00 61.98 61.07 1q86 s VAL 58 Cb -0.20 -1.49 0.30 0.00 0.00 0.00 0.00 36.38 34.98 1q86 s VAL 58 CO 0.21 -0.69 2.12 1.23 0.00 0.00 0.00 175.10 177.97 1q86 h GLY 59 N 2.84 0.01 -4.54 4.51 0.00 -1.98 -2.58 103.07 101.34 1q86 h GLY 59 Ca -0.34 -0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.91 1q86 h GLY 59 CO 0.58 0.00 0.12 -1.84 0.00 0.00 0.00 176.54 175.40 1q86 n GLU 60 N -4.51 0.82 -3.05 4.80 0.28 -1.26 -4.46 120.64 113.27 1q86 n GLU 60 Ca -0.00 -0.40 -0.13 0.00 -0.16 0.00 0.00 57.16 56.46 1q86 n GLU 60 Cb 0.19 -1.69 -0.02 0.00 1.43 0.00 0.00 31.44 31.35 1q86 n GLU 60 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1q86 n PHE 61 N 2.75 -1.65 -3.48 -1.84 -0.00 -1.22 -4.80 117.46 107.22 1q86 n PHE 61 Ca 0.17 0.21 -0.30 0.00 -0.00 0.00 0.00 57.45 57.54 1q86 n PHE 61 Cb 0.38 -1.22 -0.08 0.00 -0.00 0.00 0.00 39.48 38.57 1q86 n PHE 61 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1q86 n ASP 62 N -1.71 3.98 -0.03 -2.13 2.03 -0.97 -4.77 116.55 112.94 1q86 n ASP 62 Ca 0.04 -3.38 0.03 0.00 0.52 0.00 0.00 54.79 51.99 1q86 n ASP 62 Cb 0.46 -0.78 -0.15 0.00 -0.72 0.00 0.00 41.12 39.92 1q86 n ASP 62 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1q86 n ILE 63 N 1.21 0.61 -1.77 5.18 -5.35 -1.25 -0.03 119.36 117.96 1q86 n ILE 63 Ca 0.27 -0.64 -0.42 0.00 -0.27 0.00 0.00 62.75 61.69 1q86 n ILE 63 Cb 0.39 -0.23 -0.03 0.00 -1.74 0.00 0.00 39.64 38.03 1q86 n ILE 63 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1q86 s ARG 64 N -3.10 4.15 0.00 6.28 3.52 -1.26 -4.26 118.95 124.28 1q86 s ARG 64 Ca -0.08 2.50 0.00 0.00 -0.13 0.00 0.00 55.73 58.02 1q86 s ARG 64 Cb 0.11 -3.99 0.00 0.00 -1.56 0.00 0.00 34.95 29.51 1q86 s ARG 64 CO 0.87 -0.90 0.38 -1.91 -0.81 0.00 0.00 175.30 172.94 1q86 n GLU 65 N 7.00 0.00 -2.38 5.12 2.13 -1.26 -4.48 120.64 126.76 1q86 n GLU 65 Ca 0.19 0.09 -0.43 0.00 0.66 0.00 0.00 57.16 57.67 1q86 n GLU 65 Cb 0.41 -0.91 -0.02 0.00 0.27 0.00 0.00 31.44 31.18 1q86 n GLU 65 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1q86 s GLY 66 N -0.53 1.47 -0.30 8.31 0.00 -1.26 -3.04 107.32 111.97 1q86 s GLY 66 Ca 0.00 0.29 -0.16 0.00 0.00 0.00 0.00 44.72 44.85 1q86 s GLY 66 CO 0.00 2.61 1.11 0.51 0.00 0.00 0.00 173.10 177.33 1q86 s ASP 67 N 2.65 -0.31 0.06 1.64 -4.77 -1.26 -4.95 116.67 109.73 1q86 s ASP 67 Ca 0.58 0.48 -0.34 0.00 -3.30 0.00 0.00 52.55 49.97 1q86 s ASP 67 Cb -0.20 1.19 -0.13 0.00 -1.09 0.00 0.00 42.92 42.69 1q86 s ASP 67 CO 0.21 -0.07 1.71 -2.65 0.70 0.00 0.00 175.17 175.06 1q86 n PRO 68 N 3.74 2.19 -1.33 2.11 -0.02 -1.26 -3.62 135.00 136.80 1q86 n PRO 68 Ca -0.16 0.80 0.01 0.00 -2.02 0.00 0.00 63.50 62.13 1q86 n PRO 68 Cb 0.56 -2.60 -0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1q86 n PRO 68 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1q86 n ILE 69 N 4.14 0.00 0.00 4.25 5.41 -0.27 -4.28 119.36 128.60 1q86 n ILE 69 Ca 0.19 -0.73 0.00 0.00 1.00 0.00 0.00 62.75 63.21 1q86 n ILE 69 Cb 0.29 0.86 0.00 0.00 -0.71 0.00 0.00 39.64 40.08 1q86 n ILE 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1q86 n GLY 70 N 0.36 3.09 3.31 7.39 0.00 -1.25 -2.96 105.19 115.14 1q86 n GLY 70 Ca -0.02 -1.78 -0.17 0.00 0.00 0.00 0.00 46.02 44.05 1q86 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q86 s ALA 71 N -1.98 1.77 0.20 4.61 0.00 -1.22 0.87 121.76 126.00 1q86 s ALA 71 Ca 0.00 -1.79 -0.11 0.00 0.00 0.00 0.00 51.96 50.05 1q86 s ALA 71 Cb 0.00 1.14 -0.00 0.00 0.00 0.00 0.00 23.12 24.26 1q86 s ALA 71 CO 0.00 -0.50 0.38 -1.59 0.00 0.00 0.00 175.76 174.06 1q86 s LYS 72 N -3.95 1.32 -0.15 0.00 -2.85 -0.63 -1.89 119.74 111.61 1q86 s LYS 72 Ca 0.37 -1.16 -0.06 0.00 -1.00 0.00 0.00 55.97 54.12 1q86 s LYS 72 Cb 0.06 0.43 0.06 0.00 -2.06 0.00 0.00 37.83 36.33 1q86 s LYS 72 CO 0.15 -0.52 0.32 0.08 0.10 0.00 0.00 175.35 175.48 1q86 s VAL 73 N -3.97 -0.30 -0.40 1.79 1.01 -0.66 -0.72 120.40 117.15 1q86 s VAL 73 Ca 0.18 0.19 -0.14 0.00 0.00 0.00 0.00 61.98 62.21 1q86 s VAL 73 Cb 0.01 -0.51 0.03 0.00 0.00 0.00 0.00 36.38 35.91 1q86 s VAL 73 CO 0.03 0.08 0.27 0.42 0.00 0.00 0.00 175.10 175.90 1q86 s THR 74 N 1.98 5.01 -0.14 3.92 -4.23 -1.26 -1.26 115.64 119.66 1q86 s THR 74 Ca -0.04 -0.76 -0.07 0.00 -1.18 0.00 0.00 61.69 59.64 1q86 s THR 74 Cb -0.11 -3.81 -0.04 0.00 1.34 0.00 0.00 72.50 69.88 1q86 s THR 74 CO -0.10 -0.30 0.10 -0.76 -0.54 0.00 0.00 174.62 173.02 1q86 s LEU 75 N 1.63 4.14 0.12 4.79 1.43 -0.95 -4.87 118.68 124.97 1q86 s LEU 75 Ca 0.04 0.31 0.06 0.00 -1.03 0.00 0.00 54.13 53.51 1q86 s LEU 75 Cb -0.19 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 1q86 s LEU 75 CO 0.09 0.32 -0.15 -0.13 0.23 0.00 0.00 176.35 176.71 1q86 s ARG 76 N -0.49 1.01 6.08 1.70 0.52 -1.26 -0.43 118.95 126.08 1q86 s ARG 76 Ca 0.11 -1.20 0.00 0.00 -0.52 0.00 0.00 55.73 54.12 1q86 s ARG 76 Cb -0.12 -0.93 0.00 0.00 0.52 0.00 0.00 34.95 34.42 1q86 s ARG 76 CO 0.02 0.19 0.00 -0.25 0.02 0.00 0.00 175.30 175.27 1q86 n ASP 77 N 0.66 0.00 -0.32 0.23 8.00 -1.26 -3.00 116.55 120.86 1q86 n ASP 77 Ca -0.16 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.36 1q86 n ASP 77 Cb 0.56 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.83 1q86 n ASP 77 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1q86 h GLU 78 N 0.00 0.94 -0.86 -1.24 5.08 -1.98 -0.19 114.58 116.32 1q86 h GLU 78 Ca 0.00 -0.06 0.20 0.00 -1.00 0.00 0.00 59.36 58.50 1q86 h GLU 78 Cb 0.00 -0.21 -0.06 0.00 0.50 0.00 0.00 28.75 28.98 1q86 h GLU 78 CO 0.00 0.62 0.58 0.52 -1.00 0.00 0.00 179.01 179.73 1q86 h MET 79 N 0.96 0.34 0.16 2.33 2.86 -1.93 0.28 114.93 119.93 1q86 h MET 79 Ca 0.41 -0.02 -0.28 0.00 -2.06 0.00 0.00 59.70 57.75 1q86 h MET 79 Cb 0.26 -0.08 0.03 0.00 0.06 0.00 0.00 31.60 31.87 1q86 h MET 79 CO -0.20 0.22 -1.19 0.00 1.06 0.00 0.00 176.91 176.80 1q86 h ALA 80 N 1.61 -0.07 0.52 6.32 0.00 -1.09 -3.17 119.26 123.39 1q86 h ALA 80 Ca 0.44 -0.77 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1q86 h ALA 80 Cb 1.18 0.13 0.01 0.00 0.00 0.00 0.00 17.79 19.10 1q86 h ALA 80 CO -0.14 0.60 -0.25 0.93 0.00 0.00 0.00 179.25 180.38 1q86 h GLU 81 N 0.08 -0.68 -0.06 0.00 5.08 -0.63 -1.20 114.58 117.17 1q86 h GLU 81 Ca -0.19 0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1q86 h GLU 81 Cb 1.90 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 31.30 1q86 h GLU 81 CO 0.23 -0.45 0.79 0.93 -1.00 0.00 0.00 179.01 179.50 1q86 h GLU 82 N -1.00 0.00 0.00 2.33 5.08 -0.66 0.89 114.58 121.23 1q86 h GLU 82 Ca -0.07 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.06 1q86 h GLU 82 Cb 0.54 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 1q86 h GLU 82 CO 0.12 0.00 -1.24 0.35 -1.00 0.00 0.00 179.01 177.24 1q86 h PHE 83 N 0.00 0.02 0.00 4.33 3.57 -1.49 -3.36 116.94 120.01 1q86 h PHE 83 Ca 0.03 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1q86 h PHE 83 Cb 1.60 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.34 1q86 h PHE 83 CO 0.00 1.48 -0.04 -0.07 -2.23 0.00 0.00 178.31 177.45 1q86 h LEU 84 N -0.97 0.00 -0.35 0.59 3.38 0.18 -0.90 115.31 117.24 1q86 h LEU 84 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1q86 h LEU 84 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1q86 h LEU 84 CO -0.19 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.38 1q86 n GLN 85 N -3.79 0.39 0.00 1.13 6.02 0.13 -1.69 117.38 119.58 1q86 n GLN 85 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1q86 n GLN 85 Cb 0.13 -1.07 0.00 0.00 1.02 0.00 0.00 30.24 30.32 1q86 n GLN 85 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1q86 n THR 86 N -0.22 0.00 0.26 5.09 -2.24 -0.84 -4.85 114.28 111.49 1q86 n THR 86 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 1q86 n THR 86 Cb 0.03 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.21 1q86 n THR 86 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1q86 h ALA 87 N 0.00 -0.93 -0.81 6.98 0.00 -0.83 -3.02 119.26 120.65 1q86 h ALA 87 Ca 0.00 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 54.90 1q86 h ALA 87 Cb 0.00 0.26 -0.14 0.00 0.00 0.00 0.00 17.79 17.91 1q86 h ALA 87 CO 0.00 -0.88 -0.34 -0.07 0.00 0.00 0.00 179.25 177.96 1q86 h LEU 88 N -0.85 -1.22 -1.91 0.00 3.38 -1.59 0.47 115.31 113.59 1q86 h LEU 88 Ca -0.07 0.27 0.33 0.00 0.09 0.00 0.00 57.88 58.49 1q86 h LEU 88 Cb 0.52 0.65 -0.05 0.00 0.09 0.00 0.00 40.66 41.87 1q86 h LEU 88 CO 0.11 -0.29 0.81 -0.65 0.09 0.00 0.00 178.44 178.51 1q86 h PRO 89 N -0.07 0.05 -0.11 1.13 0.11 -1.73 0.59 132.00 131.97 1q86 h PRO 89 Ca 0.31 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1q86 h PRO 89 Cb 0.58 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1q86 h PRO 89 CO -0.84 0.03 0.00 1.28 -0.21 0.00 0.00 178.00 178.26 1q86 n LEU 90 N -4.25 0.97 -4.46 2.35 4.77 0.16 -4.83 117.00 111.72 1q86 n LEU 90 Ca 0.25 -0.42 -0.24 0.00 -0.03 0.00 0.00 56.01 55.56 1q86 n LEU 90 Cb 1.17 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 42.08 1q86 n LEU 90 CO 0.38 0.21 -0.49 0.00 -1.33 0.00 0.00 177.39 176.16 1q86 s ALA 91 N -1.85 2.68 0.10 -1.18 0.00 0.21 -5.02 121.76 116.69 1q86 s ALA 91 Ca 0.27 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.41 1q86 s ALA 91 Cb 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1q86 s ALA 91 CO 0.21 0.30 0.00 0.39 0.00 0.00 0.00 175.76 176.67 1q86 n GLU 92 N -0.44 0.00 -0.45 0.00 1.02 -1.26 -4.97 120.64 114.54 1q86 n GLU 92 Ca -0.07 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.90 1q86 n GLU 92 Cb 0.59 -0.43 0.02 0.00 -0.02 0.00 0.00 31.44 31.59 1q86 n GLU 92 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1q86 n LEU 93 N -3.38 -1.83 0.00 -4.62 4.77 -1.26 -4.87 117.00 105.80 1q86 n LEU 93 Ca 0.00 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1q86 n LEU 93 Cb 0.09 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1q86 n LEU 93 CO 0.00 -1.68 0.00 0.00 -1.33 0.00 0.00 177.39 174.38 1q86 n ALA 94 N -1.43 0.00 -1.31 -1.18 0.00 -1.18 -4.80 120.51 110.60 1q86 n ALA 94 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1q86 n ALA 94 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 1q86 n ALA 94 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1q86 n THR 95 N -0.15 -1.67 0.00 0.00 -2.24 -1.26 -4.22 114.28 104.74 1q86 n THR 95 Ca 0.00 0.82 0.00 0.00 -2.27 0.00 0.00 64.05 62.60 1q86 n THR 95 Cb 0.00 -1.31 0.00 0.00 -2.10 0.00 0.00 70.33 66.92 1q86 n THR 95 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1q86 n SER 96 N -2.12 0.00 -0.22 3.42 3.41 -1.26 -4.27 113.62 112.58 1q86 n SER 96 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1q86 n SER 96 Cb 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1q86 n SER 96 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1q86 n GLN 97 N 0.00 0.85 -4.13 4.33 7.27 -1.26 -4.79 117.38 119.65 1q86 n GLN 97 Ca 0.00 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.77 1q86 n GLN 97 Cb 0.00 -1.18 -0.08 0.00 2.41 0.00 0.00 30.24 31.39 1q86 n GLN 97 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 1q86 s PHE 98 N -1.57 2.99 1.06 3.69 0.40 -1.26 -4.11 117.98 119.18 1q86 s PHE 98 Ca 0.00 -0.03 -0.14 0.00 -0.60 0.00 0.00 56.93 56.16 1q86 s PHE 98 Cb 0.00 -1.53 0.22 0.00 0.51 0.00 0.00 43.02 42.22 1q86 s PHE 98 CO 0.00 0.48 1.10 0.34 0.70 0.00 0.00 175.22 177.84 1q86 s ASP 99 N -2.34 2.10 0.01 1.36 2.15 0.72 -4.91 116.67 115.77 1q86 s ASP 99 Ca 0.26 1.02 0.25 0.00 0.43 0.00 0.00 52.55 54.51 1q86 s ASP 99 Cb -0.12 -1.59 0.45 0.00 -0.30 0.00 0.00 42.92 41.36 1q86 s ASP 99 CO 0.18 -3.44 1.37 0.47 -0.17 0.00 0.00 175.17 173.59 1q86 n ASP 100 N -4.36 0.54 -0.87 -0.34 9.92 -1.26 -3.44 116.55 116.74 1q86 n ASP 100 Ca 0.07 -0.26 0.09 0.00 -0.53 0.00 0.00 54.79 54.16 1q86 n ASP 100 Cb 0.58 0.30 0.17 0.00 -0.64 0.00 0.00 41.12 41.53 1q86 n ASP 100 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1q86 n THR 101 N -1.56 0.60 -0.95 -3.53 -1.04 -1.26 -4.32 114.28 102.23 1q86 n THR 101 Ca 0.05 -0.80 0.00 0.00 -2.04 0.00 0.00 64.05 61.26 1q86 n THR 101 Cb 0.35 0.84 0.00 0.00 -1.82 0.00 0.00 70.33 69.70 1q86 n THR 101 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1q86 n GLY 102 N 1.03 0.91 3.86 3.41 0.00 -1.22 -4.23 105.19 108.95 1q86 n GLY 102 Ca 0.15 -0.56 -0.23 0.00 0.00 0.00 0.00 46.02 45.38 1q86 n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1q86 s ASN 103 N -2.58 4.85 -0.28 1.61 0.02 -1.26 -4.28 114.94 113.01 1q86 s ASN 103 Ca 0.00 -0.92 -0.25 0.00 -1.02 0.00 0.00 52.86 50.67 1q86 s ASN 103 Cb 0.00 -0.31 0.13 0.00 0.02 0.00 0.00 41.25 41.09 1q86 s ASN 103 CO 0.00 -0.75 1.07 0.72 0.02 0.00 0.00 177.10 178.15 1q86 s PHE 104 N -2.57 -0.44 -0.05 2.20 -0.12 -1.20 0.26 117.98 116.06 1q86 s PHE 104 Ca 0.44 1.07 0.06 0.00 -0.05 0.00 0.00 56.93 58.44 1q86 s PHE 104 Cb -0.02 0.37 -0.01 0.00 -0.63 0.00 0.00 43.02 42.74 1q86 s PHE 104 CO 0.26 -0.21 -0.22 0.45 -0.05 0.00 0.00 175.22 175.45 1q86 s SER 105 N 0.24 2.70 0.12 1.98 0.15 -1.26 -1.81 113.70 115.82 1q86 s SER 105 Ca 0.03 -0.44 0.01 0.00 0.70 0.00 0.00 55.95 56.25 1q86 s SER 105 Cb -0.05 -0.71 -0.04 0.00 -1.71 0.00 0.00 66.02 63.51 1q86 s SER 105 CO -0.07 0.21 -0.02 0.72 1.20 0.00 0.00 173.24 175.28 1q86 s PHE 106 N -0.12 0.94 0.00 3.44 -0.71 -0.71 -4.98 117.98 115.84 1q86 s PHE 106 Ca -0.03 -1.01 0.00 0.00 -1.04 0.00 0.00 56.93 54.85 1q86 s PHE 106 Cb -0.13 -0.55 0.00 0.00 -1.21 0.00 0.00 43.02 41.14 1q86 s PHE 106 CO 0.03 -0.25 0.00 0.41 -1.34 0.00 0.00 175.22 174.07 1q86 n GLY 107 N -0.09 0.03 0.00 1.99 0.00 -1.26 -1.12 105.19 104.73 1q86 n GLY 107 Ca -0.10 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.94 1q86 n GLY 107 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1q86 n LEU 128 N 0.00 0.00 -4.78 0.99 0.00 -1.26 -4.90 117.00 107.05 1q86 n LEU 128 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 56.01 55.70 1q86 n LEU 128 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 43.35 1q86 n LEU 128 CO 0.00 0.00 -0.26 -1.81 0.00 0.00 0.00 177.39 175.32 1q86 s ASP 129 N 0.00 5.59 -0.21 1.96 1.01 -0.53 -5.00 116.67 119.49 1q86 s ASP 129 Ca 0.00 0.04 -0.05 0.00 0.71 0.00 0.00 52.55 53.25 1q86 s ASP 129 Cb 0.00 -1.53 0.07 0.00 1.01 0.00 0.00 42.92 42.47 1q86 s ASP 129 CO 0.00 0.20 0.10 -0.69 0.21 0.00 0.00 175.17 174.99 1q86 s VAL 130 N -1.35 -0.08 0.03 -1.27 1.01 -0.28 -1.78 120.40 116.68 1q86 s VAL 130 Ca 0.28 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.90 1q86 s VAL 130 Cb -0.12 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1q86 s VAL 130 CO 0.20 -0.44 0.07 -0.89 0.00 0.00 0.00 175.10 174.05 1q86 s THR 131 N 2.12 4.58 -0.16 3.92 2.01 0.06 -1.73 115.64 126.45 1q86 s THR 131 Ca 0.04 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.47 1q86 s THR 131 Cb -0.16 -3.14 0.03 0.00 0.01 0.00 0.00 72.50 69.24 1q86 s THR 131 CO -0.19 0.26 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.18 1q86 s VAL 132 N -1.26 1.57 -0.24 3.82 1.01 -0.75 -1.57 120.40 122.97 1q86 s VAL 132 Ca 0.25 -0.68 -0.14 0.00 0.00 0.00 0.00 61.98 61.40 1q86 s VAL 132 Cb -0.12 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1q86 s VAL 132 CO 0.17 0.41 0.34 0.21 0.00 0.00 0.00 175.10 176.24 1q86 s ASN 133 N 1.48 6.28 0.06 3.32 3.04 -1.03 -3.24 114.94 124.85 1q86 s ASN 133 Ca 0.04 0.32 0.07 0.00 0.04 0.00 0.00 52.86 53.34 1q86 s ASN 133 Cb -0.13 -2.20 -0.03 0.00 -1.54 0.00 0.00 41.25 37.34 1q86 s ASN 133 CO -0.10 -0.11 -0.18 -0.76 -3.04 0.00 0.00 177.10 172.91 1q86 s LEU 134 N 1.69 2.63 0.17 3.21 1.43 -1.26 -1.16 118.68 125.39 1q86 s LEU 134 Ca 0.15 -0.45 -0.24 0.00 -1.03 0.00 0.00 54.13 52.56 1q86 s LEU 134 Cb -0.15 -1.53 0.07 0.00 0.03 0.00 0.00 46.19 44.61 1q86 s LEU 134 CO 0.09 0.24 1.00 0.54 0.23 0.00 0.00 176.35 178.44 1q86 s VAL 135 N -0.97 0.00 0.08 -1.59 0.11 -1.10 -4.81 120.40 112.12 1q86 s VAL 135 Ca 0.15 -0.63 0.03 0.00 -2.93 0.00 0.00 61.98 58.60 1q86 s VAL 135 Cb -0.11 -2.38 -0.04 0.00 -1.53 0.00 0.00 36.38 32.32 1q86 s VAL 135 CO 0.06 0.00 0.08 0.00 -3.33 0.00 0.00 175.10 171.92 1q86 s ARG 136 N -2.77 2.90 0.00 1.54 1.70 -1.26 -2.29 118.95 118.76 1q86 s ARG 136 Ca 0.16 -0.68 0.00 0.00 -0.47 0.00 0.00 55.73 54.74 1q86 s ARG 136 Cb -0.02 -2.74 0.00 0.00 -0.57 0.00 0.00 34.95 31.63 1q86 s ARG 136 CO 0.04 0.57 0.00 -2.30 -1.08 0.00 0.00 175.30 172.52 1q86 n PRO 137 N 0.46 0.00 -0.88 3.89 -0.02 -1.26 -2.51 135.00 134.68 1q86 n PRO 137 Ca -0.08 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.23 1q86 n PRO 137 Cb 0.52 0.00 0.04 0.00 -0.02 0.00 0.00 33.50 34.04 1q86 n PRO 137 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1q86 n GLY 138 N -0.68 4.07 0.11 -1.23 0.00 -1.26 -4.45 105.19 101.75 1q86 n GLY 138 Ca 0.00 -1.07 -0.06 0.00 0.00 0.00 0.00 46.02 44.89 1q86 n GLY 138 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1q86 h TYR 139 N 1.44 0.10 -0.03 1.61 3.20 -1.90 -3.14 116.97 118.24 1q86 h TYR 139 Ca 0.29 -0.05 0.01 0.00 3.14 0.00 0.00 58.73 62.11 1q86 h TYR 139 Cb 0.95 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.20 1q86 h TYR 139 CO 0.80 0.86 0.41 -0.09 -1.64 0.00 0.00 178.16 178.49 1q86 h ARG 140 N 0.04 0.00 -0.02 1.82 2.43 -1.90 0.20 114.38 116.95 1q86 h ARG 140 Ca -0.02 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1q86 h ARG 140 Cb 1.44 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.98 1q86 h ARG 140 CO 0.11 0.00 -0.16 0.28 -1.51 0.00 0.00 179.97 178.69 1q86 h VAL 141 N 0.00 1.13 -0.02 0.20 2.07 -1.86 -1.10 116.25 116.67 1q86 h VAL 141 Ca 0.01 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1q86 h VAL 141 Cb 0.83 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1q86 h VAL 141 CO -0.00 0.18 -0.24 0.00 0.02 0.00 0.00 177.57 177.52 1q86 n ALA 142 N -2.50 3.03 -0.02 1.67 0.00 0.70 -0.31 120.51 123.08 1q86 n ALA 142 Ca -0.02 -0.63 0.01 0.00 0.00 0.00 0.00 53.44 52.80 1q86 n ALA 142 Cb 0.24 -0.85 -0.07 0.00 0.00 0.00 0.00 19.45 18.77 1q86 n ALA 142 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1q86 n LYS 143 N 0.47 1.10 -0.97 0.00 4.76 -0.96 -4.76 118.16 117.81 1q86 n LYS 143 Ca 0.12 -0.05 -0.28 0.00 -2.87 0.00 0.00 58.31 55.22 1q86 n LYS 143 Cb 0.50 -1.21 0.21 0.00 -1.84 0.00 0.00 35.03 32.69 1q86 n LYS 143 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1q86 s ARG 144 N -2.47 -0.22 -0.14 1.97 1.70 -0.45 -5.02 118.95 114.32 1q86 s ARG 144 Ca -0.03 0.53 -0.15 0.00 -0.47 0.00 0.00 55.73 55.61 1q86 s ARG 144 Cb 0.04 -1.66 -0.12 0.00 -0.57 0.00 0.00 34.95 32.64 1q86 s ARG 144 CO 0.35 -3.17 0.22 -0.44 -1.08 0.00 0.00 175.30 171.19 1q86 h ASP 145 N -2.21 0.00 -3.80 -2.89 3.45 -1.94 -3.41 116.42 105.61 1q86 h ASP 145 Ca -0.57 -0.39 -0.50 0.00 0.43 0.00 0.00 57.03 56.00 1q86 h ASP 145 Cb 1.33 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 40.11 1q86 h ASP 145 CO 0.54 0.92 0.44 -0.54 -1.57 0.00 0.00 179.24 179.03 1q86 s LYS 146 N -2.07 4.66 -0.23 3.56 1.02 -1.26 -3.84 119.74 121.58 1q86 s LYS 146 Ca -0.15 1.72 -0.03 0.00 0.02 0.00 0.00 55.97 57.53 1q86 s LYS 146 Cb 0.01 -3.17 0.03 0.00 -0.52 0.00 0.00 37.83 34.18 1q86 s LYS 146 CO 0.37 0.26 0.07 0.00 -0.92 0.00 0.00 175.35 175.13 1q86 n ALA 147 N 1.18 -0.84 -0.71 5.17 0.00 -1.26 -4.84 120.51 119.21 1q86 n ALA 147 Ca -0.01 -0.03 -0.32 0.00 0.00 0.00 0.00 53.44 53.09 1q86 n ALA 147 Cb 0.46 -0.65 0.16 0.00 0.00 0.00 0.00 19.45 19.41 1q86 n ALA 147 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1q86 n SER 148 N -1.31 -1.54 -3.47 0.00 3.41 -1.25 -5.03 113.62 104.42 1q86 n SER 148 Ca 0.01 0.21 -0.13 0.00 -0.26 0.00 0.00 58.87 58.70 1q86 n SER 148 Cb 0.40 -1.23 -0.03 0.00 -0.26 0.00 0.00 64.21 63.09 1q86 n SER 148 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1q86 s ARG 149 N -3.92 1.20 0.24 4.33 6.06 0.57 -4.99 118.95 122.44 1q86 s ARG 149 Ca 0.60 -0.32 -0.17 0.00 -2.50 0.00 0.00 55.73 53.34 1q86 s ARG 149 Cb -0.20 0.55 -0.08 0.00 0.06 0.00 0.00 34.95 35.28 1q86 s ARG 149 CO 0.65 -0.49 0.70 0.45 -2.50 0.00 0.00 175.30 174.12 1q86 s SER 150 N -2.37 6.94 0.10 -2.12 0.15 -1.26 -2.69 113.70 112.46 1q86 s SER 150 Ca -0.02 1.33 -0.31 0.00 0.70 0.00 0.00 55.95 57.65 1q86 s SER 150 Cb -0.01 -2.39 -0.07 0.00 -1.71 0.00 0.00 66.02 61.84 1q86 s SER 150 CO -0.07 -0.03 1.37 -0.63 1.20 0.00 0.00 173.24 175.07 1q86 s ILE 151 N -1.65 3.43 0.58 6.45 -1.09 -1.26 -4.97 121.20 122.68 1q86 s ILE 151 Ca 0.46 1.01 -0.21 0.00 -2.23 0.00 0.00 60.65 59.68 1q86 s ILE 151 Cb -0.15 -3.65 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 1q86 s ILE 151 CO 0.20 0.07 1.30 -2.65 -1.23 0.00 0.00 174.94 172.63 1q86 n PRO 152 N 4.06 1.47 -0.25 2.79 -0.02 -1.26 -4.82 135.00 136.96 1q86 n PRO 152 Ca 0.11 0.55 0.09 0.00 -2.02 0.00 0.00 63.50 62.24 1q86 n PRO 152 Cb 0.43 -2.52 0.35 0.00 -0.02 0.00 0.00 33.50 31.74 1q86 n PRO 152 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1q86 h THR 153 N 1.11 0.91 -0.49 3.45 1.35 -1.96 -1.67 112.91 115.61 1q86 h THR 153 Ca -0.51 -0.26 -0.05 0.00 -0.55 0.00 0.00 66.41 65.04 1q86 h THR 153 Cb 1.32 0.09 -0.02 0.00 -1.73 0.00 0.00 68.15 67.81 1q86 h THR 153 CO 0.55 0.14 0.09 0.11 -0.25 0.00 0.00 175.52 176.17 1q86 h LYS 154 N 0.75 0.76 -0.01 4.72 6.56 -2.03 -1.74 116.57 125.58 1q86 h LYS 154 Ca 0.41 -0.16 0.00 0.00 -1.06 0.00 0.00 60.65 59.84 1q86 h LYS 154 Cb 0.53 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.08 1q86 h LYS 154 CO -0.17 0.70 -0.03 1.58 -2.06 0.00 0.00 179.45 179.47 1q86 n HIS 155 N -4.27 0.00 -1.42 -1.35 -0.00 -0.69 -4.87 115.22 102.62 1q86 n HIS 155 Ca 0.03 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.92 1q86 n HIS 155 Cb 0.23 -0.02 0.14 0.00 -0.12 0.00 0.00 29.99 30.22 1q86 n HIS 155 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1q86 s ARG 156 N -2.08 1.04 -0.15 1.57 1.81 -0.65 -4.72 118.95 115.76 1q86 s ARG 156 Ca 0.38 0.42 -0.08 0.00 -1.72 0.00 0.00 55.73 54.73 1q86 s ARG 156 Cb 0.21 -1.82 -0.04 0.00 -0.45 0.00 0.00 34.95 32.85 1q86 s ARG 156 CO 0.37 -2.29 0.11 -1.17 -0.68 0.00 0.00 175.30 171.64 1q86 s LEU 157 N -6.14 4.18 0.32 2.53 2.96 -1.26 -5.01 118.68 116.26 1q86 s LEU 157 Ca 0.64 0.31 0.01 0.00 -0.22 0.00 0.00 54.13 54.86 1q86 s LEU 157 Cb -0.16 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 1q86 s LEU 157 CO 0.55 0.30 0.52 0.20 -1.32 0.00 0.00 176.35 176.59 1q86 s ASN 158 N -0.36 6.31 0.15 3.68 -0.87 -1.26 -3.49 114.94 119.09 1q86 s ASN 158 Ca 0.11 0.42 -0.22 0.00 -1.57 0.00 0.00 52.86 51.60 1q86 s ASN 158 Cb -0.12 -2.02 0.03 0.00 -0.02 0.00 0.00 41.25 39.12 1q86 s ASN 158 CO 0.01 -0.24 1.64 -0.65 -2.57 0.00 0.00 177.10 175.29 1q86 h PRO 159 N 0.96 -0.21 0.19 -0.60 0.11 -1.76 -1.78 132.00 128.91 1q86 h PRO 159 Ca -0.50 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1q86 h PRO 159 Cb 1.22 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1q86 h PRO 159 CO 0.62 -0.14 -0.31 0.00 -0.21 0.00 0.00 178.00 177.96 1q86 h ALA 160 N 0.86 -0.91 -0.24 -0.75 0.00 -1.94 -0.91 119.26 115.36 1q86 h ALA 160 Ca 0.14 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1q86 h ALA 160 Cb 0.43 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1q86 h ALA 160 CO -0.37 -0.95 0.68 -0.44 0.00 0.00 0.00 179.25 178.16 1q86 h ASP 161 N -0.52 0.00 0.00 0.00 3.32 -1.91 0.16 116.42 117.47 1q86 h ASP 161 Ca -0.02 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1q86 h ASP 161 Cb 0.49 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 1q86 h ASP 161 CO -0.10 0.00 -0.18 0.00 -1.72 0.00 0.00 179.24 177.24 1q86 h ALA 162 N 0.87 0.03 -0.80 3.45 0.00 -0.32 -3.18 119.26 119.31 1q86 h ALA 162 Ca 0.11 -0.51 0.16 0.00 0.00 0.00 0.00 54.91 54.67 1q86 h ALA 162 Cb 1.47 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 19.27 1q86 h ALA 162 CO -0.00 0.11 0.34 0.28 0.00 0.00 0.00 179.25 179.98 1q86 h VAL 163 N -1.00 0.63 0.45 0.00 2.07 0.56 -1.95 116.25 117.00 1q86 h VAL 163 Ca -0.05 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1q86 h VAL 163 Cb 0.86 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1q86 h VAL 163 CO -0.03 0.08 -0.51 0.00 0.02 0.00 0.00 177.57 177.14 1q86 h ALA 164 N 1.59 -1.12 -0.40 1.67 0.00 -1.47 0.39 119.26 119.91 1q86 h ALA 164 Ca 0.45 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.27 1q86 h ALA 164 Cb 0.72 0.75 -0.08 0.00 0.00 0.00 0.00 17.79 19.18 1q86 h ALA 164 CO -0.43 -1.17 -0.14 0.35 0.00 0.00 0.00 179.25 177.86 1q86 h PHE 165 N -0.97 -0.33 0.01 0.00 3.57 -1.35 0.14 116.94 118.01 1q86 h PHE 165 Ca -0.05 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1q86 h PHE 165 Cb 0.86 0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.81 1q86 h PHE 165 CO -0.28 -0.22 -0.01 0.82 -2.23 0.00 0.00 178.31 176.39 1q86 h ILE 166 N -0.06 1.48 -0.94 1.41 2.04 -1.35 -3.16 117.51 116.92 1q86 h ILE 166 Ca 0.20 -1.56 0.20 0.00 1.00 0.00 0.00 64.86 64.69 1q86 h ILE 166 Cb 0.36 2.52 -0.11 0.00 -0.74 0.00 0.00 36.82 38.84 1q86 h ILE 166 CO -0.44 0.40 0.52 -0.08 0.00 0.00 0.00 178.15 178.54 1q86 h GLU 167 N -0.70 0.60 -1.50 2.37 4.81 -0.14 0.69 114.58 120.70 1q86 h GLU 167 Ca -0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1q86 h GLU 167 Cb 0.67 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1q86 h GLU 167 CO 0.00 0.39 0.00 0.45 -0.73 0.00 0.00 179.01 179.13 1q86 n SER 168 N -4.88 2.72 -2.86 1.04 2.88 0.48 -3.87 113.62 109.12 1q86 n SER 168 Ca 0.22 -1.63 -0.12 0.00 -1.33 0.00 0.00 58.87 56.01 1q86 n SER 168 Cb 0.59 -0.51 0.03 0.00 -0.75 0.00 0.00 64.21 63.57 1q86 n SER 168 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1q86 n THR 169 N 0.95 -0.15 -2.21 2.46 -1.04 0.24 -4.98 114.28 109.55 1q86 n THR 169 Ca 0.00 -2.22 -0.03 0.00 -2.04 0.00 0.00 64.05 59.76 1q86 n THR 169 Cb 0.36 0.69 0.02 0.00 -1.82 0.00 0.00 70.33 69.57 1q86 n THR 169 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1q86 n TYR 170 N 1.26 -0.42 -3.47 -1.42 4.02 -1.25 -5.00 117.16 110.89 1q86 n TYR 170 Ca 0.12 0.17 0.00 0.00 -0.01 0.00 0.00 57.90 58.18 1q86 n TYR 170 Cb 0.63 -2.61 0.00 0.00 -0.02 0.00 0.00 39.34 37.34 1q86 n TYR 170 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1q86 n ASP 171 N -1.45 0.00 -3.96 7.72 5.68 -1.25 -4.92 116.55 118.37 1q86 n ASP 171 Ca -0.05 0.00 -0.11 0.00 -0.50 0.00 0.00 54.79 54.13 1q86 n ASP 171 Cb 0.53 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.39 1q86 n ASP 171 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1q86 s VAL 172 N -3.00 0.14 0.00 2.12 1.01 -1.26 -4.81 120.40 114.61 1q86 s VAL 172 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1q86 s VAL 172 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.15 1q86 s VAL 172 CO 0.00 -0.30 0.00 -1.84 0.00 0.00 0.00 175.10 172.96 1q86 n GLU 173 N 2.10 0.40 0.00 2.72 0.28 -1.26 -4.96 120.64 119.93 1q86 n GLU 173 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.80 1q86 n GLU 173 Cb 0.57 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.44 1q86 n GLU 173 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25