#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q86 n LYS 2 N 0.00 0.39 -2.29 4.33 2.85 -1.26 -4.81 118.16 117.37 1q86 n LYS 2 Ca 0.00 -0.04 -0.43 0.00 -1.05 0.00 0.00 58.31 56.79 1q86 n LYS 2 Cb 0.00 -1.59 -0.02 0.00 -0.65 0.00 0.00 35.03 32.77 1q86 n LYS 2 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1q86 s GLN 3 N -3.28 4.24 0.31 -1.58 -0.21 -1.26 -4.94 119.66 112.94 1q86 s GLN 3 Ca 0.01 1.84 0.08 0.00 0.02 0.00 0.00 55.36 57.31 1q86 s GLN 3 Cb 0.14 -3.76 0.84 0.00 1.00 0.00 0.00 33.01 31.23 1q86 s GLN 3 CO 0.84 -0.69 1.74 -1.35 -2.12 0.00 0.00 175.29 173.71 1q86 h PRO 4 N 8.38 0.62 -0.57 2.91 0.11 -1.99 -1.72 132.00 139.74 1q86 h PRO 4 Ca -0.32 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1q86 h PRO 4 Cb 1.14 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 1q86 h PRO 4 CO 0.95 0.41 0.38 -0.44 -0.21 0.00 0.00 178.00 179.08 1q86 h ASP 5 N 0.64 0.66 0.18 -2.05 5.19 -2.00 -1.27 116.42 117.77 1q86 h ASP 5 Ca 0.63 -0.02 -0.18 0.00 -0.62 0.00 0.00 57.03 56.84 1q86 h ASP 5 Cb 1.12 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 40.46 1q86 h ASP 5 CO -0.45 0.48 -0.68 0.11 -3.12 0.00 0.00 179.24 175.58 1q86 h LYS 6 N 0.77 0.46 0.43 3.56 1.57 -1.75 -1.90 116.57 119.70 1q86 h LYS 6 Ca 0.21 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1q86 h LYS 6 Cb -0.08 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1q86 h LYS 6 CO -0.04 0.97 -0.21 1.96 -0.57 0.00 0.00 179.45 181.56 1q86 h GLN 7 N 0.32 -0.55 -0.86 3.15 1.08 -1.04 -1.23 115.11 115.99 1q86 h GLN 7 Ca -0.02 0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.23 1q86 h GLN 7 Cb 1.25 0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 28.76 1q86 h GLN 7 CO 0.12 -0.35 0.57 0.00 -0.95 0.00 0.00 178.83 178.22 1q86 h ARG 8 N -0.60 1.13 0.43 1.46 3.08 -1.29 -2.56 114.38 116.04 1q86 h ARG 8 Ca -0.06 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 1q86 h ARG 8 Cb 0.45 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1q86 h ARG 8 CO 0.10 0.75 -0.39 -0.22 -1.07 0.00 0.00 179.97 179.14 1q86 h LYS 9 N 1.17 -0.78 -0.84 0.04 3.64 -1.08 -1.16 116.57 117.56 1q86 h LYS 9 Ca 0.32 0.05 0.20 0.00 -1.27 0.00 0.00 60.65 59.95 1q86 h LYS 9 Cb -0.13 0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 31.81 1q86 h LYS 9 CO -0.07 -0.52 0.57 0.66 -2.27 0.00 0.00 179.45 177.82 1q86 h SER 10 N -0.81 0.26 0.13 4.20 4.64 -1.17 0.55 113.55 121.36 1q86 h SER 10 Ca -0.06 0.03 -0.17 0.00 -0.47 0.00 0.00 61.79 61.12 1q86 h SER 10 Cb 0.69 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.75 1q86 h SER 10 CO -0.02 0.11 -0.62 1.56 -0.87 0.00 0.00 176.83 176.98 1q86 h GLN 11 N 0.26 0.48 0.00 4.77 4.20 -1.03 -2.14 115.11 121.66 1q86 h GLN 11 Ca 0.42 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1q86 h GLN 11 Cb 1.24 0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.07 1q86 h GLN 11 CO -0.11 0.95 -0.34 0.00 -0.67 0.00 0.00 178.83 178.66 1q86 h ARG 12 N 0.35 0.00 -0.07 1.46 3.08 0.28 -3.34 114.38 116.15 1q86 h ARG 12 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1q86 h ARG 12 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1q86 h ARG 12 CO 0.11 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.55 1q86 n ARG 13 N -2.30 2.81 -1.94 0.04 1.74 -0.14 -5.04 116.66 111.84 1q86 n ARG 13 Ca 0.04 -1.57 -0.42 0.00 -0.77 0.00 0.00 57.85 55.14 1q86 n ARG 13 Cb 0.45 -1.05 -0.02 0.00 -1.02 0.00 0.00 32.46 30.81 1q86 n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1q86 s ALA 14 N -0.96 3.70 0.72 7.54 0.00 -0.81 -4.96 121.76 126.99 1q86 s ALA 14 Ca 0.05 1.39 -0.16 0.00 0.00 0.00 0.00 51.96 53.24 1q86 s ALA 14 Cb 0.02 -3.60 0.02 0.00 0.00 0.00 0.00 23.12 19.57 1q86 s ALA 14 CO 0.03 -0.80 1.09 -2.30 0.00 0.00 0.00 175.76 173.77 1q86 n PRO 15 N 2.78 0.56 -0.31 0.00 -0.02 -1.26 -4.70 135.00 132.06 1q86 n PRO 15 Ca 0.09 0.25 0.02 0.00 -2.02 0.00 0.00 63.50 61.84 1q86 n PRO 15 Cb 0.39 -2.33 0.07 0.00 -0.02 0.00 0.00 33.50 31.61 1q86 n PRO 15 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1q86 n LEU 16 N -2.06 -0.42 0.27 2.45 4.77 -1.26 0.02 117.00 120.76 1q86 n LEU 16 Ca 0.14 1.44 0.14 0.00 -0.03 0.00 0.00 56.01 57.70 1q86 n LEU 16 Cb 0.49 -0.38 0.71 0.00 -2.33 0.00 0.00 43.42 41.92 1q86 n LEU 16 CO 0.48 -1.34 0.96 1.12 -1.33 0.00 0.00 177.39 177.29 1q86 h HIS 17 N 0.00 0.00 -0.07 -1.77 2.07 -2.01 -1.37 115.15 112.00 1q86 h HIS 17 Ca 0.34 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.86 1q86 h HIS 17 Cb 0.55 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.53 1q86 h HIS 17 CO -0.69 0.10 0.00 0.39 -3.07 0.00 0.00 177.93 174.67 1q86 n GLU 18 N -3.40 1.42 0.04 5.12 1.02 0.10 -3.39 120.64 121.55 1q86 n GLU 18 Ca -0.01 -0.62 0.11 0.00 -0.02 0.00 0.00 57.16 56.62 1q86 n GLU 18 Cb 0.28 -1.40 0.06 0.00 -0.02 0.00 0.00 31.44 30.36 1q86 n GLU 18 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1q86 n ARG 19 N -0.19 0.30 -0.25 3.49 1.74 -0.52 -4.08 116.66 117.16 1q86 n ARG 19 Ca 0.17 0.02 -0.01 0.00 -0.77 0.00 0.00 57.85 57.26 1q86 n ARG 19 Cb 0.23 -1.62 0.11 0.00 -1.02 0.00 0.00 32.46 30.17 1q86 n ARG 19 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1q86 h HIS 20 N 0.00 0.72 0.00 -1.55 3.86 -1.66 0.18 115.15 116.70 1q86 h HIS 20 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1q86 h HIS 20 Cb 0.74 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1q86 h HIS 20 CO 0.00 0.34 0.00 0.36 0.86 0.00 0.00 177.93 179.49 1q86 n LYS 21 N -4.77 0.11 0.00 2.45 2.85 -1.26 -1.34 118.16 116.20 1q86 n LYS 21 Ca 0.10 0.20 0.12 0.00 -1.05 0.00 0.00 58.31 57.68 1q86 n LYS 21 Cb 0.19 -1.50 0.14 0.00 -0.65 0.00 0.00 35.03 33.22 1q86 n LYS 21 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1q86 n GLN 22 N -1.27 1.39 -1.61 -1.58 6.02 0.64 -4.12 117.38 116.85 1q86 n GLN 22 Ca 0.04 -1.07 -0.11 0.00 -0.01 0.00 0.00 57.00 55.85 1q86 n GLN 22 Cb 0.06 -1.48 0.08 0.00 1.02 0.00 0.00 30.24 29.92 1q86 n GLN 22 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1q86 n VAL 23 N 0.13 2.18 -3.54 5.09 0.24 -0.45 -4.77 118.33 117.21 1q86 n VAL 23 Ca 0.12 -3.62 -0.31 0.00 -2.04 0.00 0.00 64.34 58.49 1q86 n VAL 23 Cb 0.46 -0.52 -0.05 0.00 -1.47 0.00 0.00 33.84 32.26 1q86 n VAL 23 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1q86 s ARG 24 N -3.31 3.67 0.01 7.34 0.52 -1.25 -1.79 118.95 124.15 1q86 s ARG 24 Ca 0.44 0.02 -0.01 0.00 -0.52 0.00 0.00 55.73 55.66 1q86 s ARG 24 Cb 0.39 -2.75 -0.01 0.00 0.52 0.00 0.00 34.95 33.09 1q86 s ARG 24 CO -0.01 0.37 -0.00 0.00 0.02 0.00 0.00 175.30 175.68 1q86 s ALA 25 N -1.80 0.04 0.73 2.13 0.00 0.18 -4.15 121.76 118.89 1q86 s ALA 25 Ca 0.43 -0.43 -0.16 0.00 0.00 0.00 0.00 51.96 51.80 1q86 s ALA 25 Cb -0.11 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.15 1q86 s ALA 25 CO 0.25 -0.14 1.16 -2.37 0.00 0.00 0.00 175.76 174.65 1q86 n THR 26 N 1.80 3.29 -4.01 0.00 5.66 -1.24 -0.57 114.28 119.22 1q86 n THR 26 Ca -0.22 -0.36 -0.32 0.00 -3.05 0.00 0.00 64.05 60.10 1q86 n THR 26 Cb 0.56 -1.27 -0.06 0.00 -1.55 0.00 0.00 70.33 68.01 1q86 n THR 26 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1q86 s LEU 27 N -4.36 4.06 1.17 1.09 1.43 0.11 -1.74 118.68 120.44 1q86 s LEU 27 Ca 0.77 0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 53.87 1q86 s LEU 27 Cb -0.34 -2.57 0.23 0.00 0.03 0.00 0.00 46.19 43.55 1q86 s LEU 27 CO 0.47 0.21 0.65 -1.54 0.23 0.00 0.00 176.35 176.38 1q86 n SER 28 N 0.69 -2.06 -0.17 2.29 3.41 -1.01 -4.63 113.62 112.14 1q86 n SER 28 Ca -0.09 -0.18 -0.08 0.00 -0.26 0.00 0.00 58.87 58.26 1q86 n SER 28 Cb 0.52 -1.14 0.01 0.00 -0.26 0.00 0.00 64.21 63.34 1q86 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1q86 h ALA 29 N -2.52 0.63 -0.24 7.33 0.00 -1.99 -1.88 119.26 120.59 1q86 h ALA 29 Ca -0.60 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.21 1q86 h ALA 29 Cb 1.35 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1q86 h ALA 29 CO 0.46 0.21 0.04 -0.44 0.00 0.00 0.00 179.25 179.51 1q86 h ASP 30 N 0.64 -0.01 -0.21 0.00 3.32 -1.99 -1.75 116.42 116.43 1q86 h ASP 30 Ca 0.17 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.16 1q86 h ASP 30 Cb 0.15 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1q86 h ASP 30 CO -0.02 0.03 -0.19 -0.07 -1.72 0.00 0.00 179.24 177.27 1q86 h LEU 31 N 0.13 0.64 -0.75 1.55 3.38 -1.88 -0.16 115.31 118.23 1q86 h LEU 31 Ca 0.11 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1q86 h LEU 31 Cb 0.12 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1q86 h LEU 31 CO -0.16 0.84 0.24 0.03 0.09 0.00 0.00 178.44 179.48 1q86 h ARG 32 N 0.58 1.15 0.16 1.13 3.08 -1.09 -1.24 114.38 118.15 1q86 h ARG 32 Ca 0.09 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 1q86 h ARG 32 Cb 0.65 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1q86 h ARG 32 CO 0.05 0.98 -0.08 1.49 -1.07 0.00 0.00 179.97 181.34 1q86 h GLU 33 N 1.11 -0.21 -0.01 0.04 4.57 -0.97 0.28 114.58 119.39 1q86 h GLU 33 Ca 0.24 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.40 1q86 h GLU 33 Cb 0.30 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 1q86 h GLU 33 CO -0.01 -0.02 -0.16 1.49 -1.18 0.00 0.00 179.01 179.13 1q86 h GLU 34 N -0.36 0.02 0.00 1.92 4.81 -0.80 -3.32 114.58 116.86 1q86 h GLU 34 Ca -0.02 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1q86 h GLU 34 Cb 0.28 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1q86 h GLU 34 CO 0.04 0.19 0.00 0.66 -0.73 0.00 0.00 179.01 179.16 1q86 n TYR 35 N -4.33 0.00 -3.26 0.92 4.02 -0.49 -5.03 117.16 109.00 1q86 n TYR 35 Ca -0.02 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.69 1q86 n TYR 35 Cb 0.24 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.61 1q86 n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1q86 n GLY 36 N 0.19 -0.15 3.01 2.72 0.00 0.09 -4.78 105.19 106.26 1q86 n GLY 36 Ca 0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1q86 n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1q86 s GLN 37 N -5.91 0.36 0.00 1.61 -0.21 -1.22 -5.06 119.66 109.24 1q86 s GLN 37 Ca 0.41 -0.59 0.12 0.00 0.02 0.00 0.00 55.36 55.32 1q86 s GLN 37 Cb -0.18 0.14 -0.21 0.00 1.00 0.00 0.00 33.01 33.76 1q86 s GLN 37 CO 0.51 -0.07 0.80 -0.09 -2.12 0.00 0.00 175.29 174.32 1q86 h ARG 38 N 4.49 0.00 0.00 2.91 2.43 -1.95 -3.38 114.38 118.88 1q86 h ARG 38 Ca -0.32 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.61 1q86 h ARG 38 Cb 1.20 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.69 1q86 h ARG 38 CO 0.42 0.54 -0.17 0.27 -1.51 0.00 0.00 179.97 179.52 1q86 n ASN 39 N -3.07 -0.81 -3.45 -3.80 6.94 -1.26 0.08 115.26 109.89 1q86 n ASN 39 Ca -0.13 -2.39 -0.13 0.00 -0.02 0.00 0.00 54.58 51.91 1q86 n ASN 39 Cb 1.00 1.59 -0.03 0.00 -2.36 0.00 0.00 39.78 39.97 1q86 n ASN 39 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1q86 s VAL 40 N -2.78 0.00 -0.62 3.53 0.11 0.26 -4.81 120.40 116.10 1q86 s VAL 40 Ca 0.23 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 59.01 1q86 s VAL 40 Cb -0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1q86 s VAL 40 CO 0.16 0.00 1.56 -0.60 -3.33 0.00 0.00 175.10 172.89 1q86 s ARG 41 N -3.02 3.02 0.13 1.54 3.52 -1.15 -0.64 118.95 122.35 1q86 s ARG 41 Ca -0.02 0.35 -0.34 0.00 -0.13 0.00 0.00 55.73 55.59 1q86 s ARG 41 Cb -0.01 -4.24 -0.17 0.00 -1.56 0.00 0.00 34.95 28.97 1q86 s ARG 41 CO -0.07 -2.29 1.06 0.28 -0.81 0.00 0.00 175.30 173.47 1q86 n VAL 42 N 6.88 0.80 -4.41 7.11 0.31 -0.74 -4.96 118.33 123.31 1q86 n VAL 42 Ca 0.13 -0.20 -0.26 0.00 -0.01 0.00 0.00 64.34 64.00 1q86 n VAL 42 Cb 0.50 -0.53 -0.11 0.00 -0.91 0.00 0.00 33.84 32.80 1q86 n VAL 42 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1q86 s ASN 43 N -0.12 3.63 0.00 4.52 0.01 -1.26 -4.96 114.94 116.76 1q86 s ASN 43 Ca 0.77 -0.86 0.00 0.00 -0.71 0.00 0.00 52.86 52.05 1q86 s ASN 43 Cb -0.96 -0.35 0.00 0.00 0.41 0.00 0.00 41.25 40.34 1q86 s ASN 43 CO 0.53 0.09 0.24 0.00 -1.51 0.00 0.00 177.10 176.45 1q86 n ALA 44 N -0.05 1.66 -0.02 0.60 0.00 -1.26 -1.79 120.51 119.66 1q86 n ALA 44 Ca -0.10 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.32 1q86 n ALA 44 Cb 0.57 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.99 1q86 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q86 n GLY 45 N -0.02 -0.19 3.62 0.00 0.00 -1.26 -4.56 105.19 102.78 1q86 n GLY 45 Ca 0.00 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 1q86 n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q86 n ASP 46 N -2.13 -0.13 -4.63 1.61 8.00 -0.74 -4.45 116.55 114.08 1q86 n ASP 46 Ca -0.06 0.32 -0.31 0.00 0.71 0.00 0.00 54.79 55.44 1q86 n ASP 46 Cb 0.61 -1.43 -0.09 0.00 -0.02 0.00 0.00 41.12 40.19 1q86 n ASP 46 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1q86 s THR 47 N -2.59 3.80 0.06 -3.53 2.01 0.06 -1.07 115.64 114.38 1q86 s THR 47 Ca 0.67 -0.88 -0.09 0.00 0.31 0.00 0.00 61.69 61.70 1q86 s THR 47 Cb -0.23 -2.72 0.00 0.00 0.01 0.00 0.00 72.50 69.56 1q86 s THR 47 CO 0.60 0.27 0.19 -0.69 -0.69 0.00 0.00 174.62 174.30 1q86 s VAL 48 N -1.13 0.12 -0.07 3.82 1.01 0.77 -1.44 120.40 123.48 1q86 s VAL 48 Ca 0.21 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 61.22 1q86 s VAL 48 Cb -0.11 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 1q86 s VAL 48 CO 0.12 -0.56 -0.19 -1.83 0.00 0.00 0.00 175.10 172.64 1q86 s GLU 49 N -3.07 2.68 -0.30 2.72 -1.05 0.15 -1.05 118.70 118.78 1q86 s GLU 49 Ca -0.01 -0.79 -0.28 0.00 -0.15 0.00 0.00 54.97 53.73 1q86 s GLU 49 Cb 0.01 -2.32 0.01 0.00 -0.44 0.00 0.00 34.13 31.40 1q86 s GLU 49 CO -0.07 0.44 1.04 0.08 0.95 0.00 0.00 175.26 177.70 1q86 s VAL 50 N -0.27 4.57 -1.19 1.83 1.01 0.40 -1.12 120.40 125.63 1q86 s VAL 50 Ca 0.01 1.73 0.21 0.00 0.00 0.00 0.00 61.98 63.92 1q86 s VAL 50 Cb -0.13 -4.37 -0.18 0.00 0.00 0.00 0.00 36.38 31.70 1q86 s VAL 50 CO 0.03 -0.41 0.92 0.18 0.00 0.00 0.00 175.10 175.82 1q86 n LEU 51 N 6.71 1.20 0.00 3.92 4.77 -0.10 0.17 117.00 133.67 1q86 n LEU 51 Ca 0.11 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 1q86 n LEU 51 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1q86 n LEU 51 CO 0.57 0.27 -0.13 0.54 -1.33 0.00 0.00 177.39 177.31 1q86 n ARG 52 N -1.18 0.00 0.00 3.23 5.12 -1.20 -4.82 116.66 117.81 1q86 n ARG 52 Ca 0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 1q86 n ARG 52 Cb 0.35 -0.55 0.00 0.00 -1.16 0.00 0.00 32.46 31.10 1q86 n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1q86 n GLY 53 N 2.01 -3.10 0.08 -0.13 0.00 -1.26 -4.56 105.19 98.23 1q86 n GLY 53 Ca 0.00 -1.05 0.12 0.00 0.00 0.00 0.00 46.02 45.09 1q86 n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q86 n ASP 54 N -0.19 0.54 -1.09 1.61 10.43 -1.26 -2.17 116.55 124.42 1q86 n ASP 54 Ca 0.00 0.58 0.10 0.00 2.57 0.00 0.00 54.79 58.04 1q86 n ASP 54 Cb 0.00 -0.72 0.26 0.00 1.84 0.00 0.00 41.12 42.50 1q86 n ASP 54 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1q86 n PHE 55 N -2.04 0.76 -1.63 1.24 3.01 -1.26 -5.00 117.46 112.54 1q86 n PHE 55 Ca 0.04 -0.47 -0.45 0.00 1.01 0.00 0.00 57.45 57.58 1q86 n PHE 55 Cb 0.32 -0.01 -0.02 0.00 -0.01 0.00 0.00 39.48 39.76 1q86 n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1q86 n ALA 56 N 1.25 0.36 0.00 4.37 0.00 -0.92 -1.57 120.51 124.00 1q86 n ALA 56 Ca 0.20 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1q86 n ALA 56 Cb 0.55 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1q86 n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q86 n GLY 57 N 1.60 2.42 3.82 0.00 0.00 0.46 -4.96 105.19 108.53 1q86 n GLY 57 Ca 0.10 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1q86 n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q86 s GLU 58 N 0.00 3.83 0.12 1.61 2.02 -0.61 -4.77 118.70 120.91 1q86 s GLU 58 Ca 0.00 1.12 0.08 0.00 0.02 0.00 0.00 54.97 56.19 1q86 s GLU 58 Cb 0.00 -2.11 -0.04 0.00 0.10 0.00 0.00 34.13 32.08 1q86 s GLU 58 CO 0.00 -0.38 -0.19 -1.21 0.02 0.00 0.00 175.26 173.51 1q86 s GLU 59 N -3.74 1.13 0.06 1.61 2.02 -1.26 -0.45 118.70 118.07 1q86 s GLU 59 Ca 0.62 -1.22 -0.27 0.00 0.02 0.00 0.00 54.97 54.12 1q86 s GLU 59 Cb -0.12 -1.27 0.09 0.00 0.10 0.00 0.00 34.13 32.93 1q86 s GLU 59 CO 0.27 0.28 1.18 0.20 0.02 0.00 0.00 175.26 177.20 1q86 s GLY 60 N -2.17 -0.18 -0.13 -1.39 0.00 -0.21 -4.97 107.32 98.25 1q86 s GLY 60 Ca 0.09 0.18 -0.15 0.00 0.00 0.00 0.00 44.72 44.84 1q86 s GLY 60 CO 0.05 2.10 0.36 1.85 0.00 0.00 0.00 173.10 177.46 1q86 s GLU 61 N -2.39 4.25 -0.18 2.90 2.12 -1.26 -0.16 118.70 123.97 1q86 s GLU 61 Ca 0.20 0.24 -0.29 0.00 0.36 0.00 0.00 54.97 55.48 1q86 s GLU 61 Cb 0.01 -3.41 -0.06 0.00 0.26 0.00 0.00 34.13 30.93 1q86 s GLU 61 CO 0.00 0.25 2.19 0.28 -0.54 0.00 0.00 175.26 177.44 1q86 n VAL 62 N 3.47 0.40 0.06 3.70 0.31 -0.24 -1.40 118.33 124.64 1q86 n VAL 62 Ca -0.10 -0.41 0.03 0.00 -0.01 0.00 0.00 64.34 63.85 1q86 n VAL 62 Cb 0.52 -2.50 -0.05 0.00 -0.91 0.00 0.00 33.84 30.89 1q86 n VAL 62 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1q86 h ILE 63 N 6.92 0.40 -1.96 2.52 1.08 -0.30 -3.35 117.51 122.82 1q86 h ILE 63 Ca -0.42 -1.77 -0.04 0.00 -0.39 0.00 0.00 64.86 62.24 1q86 h ILE 63 Cb 1.24 1.93 -0.20 0.00 -3.07 0.00 0.00 36.82 36.73 1q86 h ILE 63 CO 0.96 0.23 0.20 0.21 -0.69 0.00 0.00 178.15 179.06 1q86 s ASN 64 N -5.73 -0.67 -0.16 1.72 2.47 -1.13 -4.95 114.94 106.49 1q86 s ASN 64 Ca -0.02 0.94 -0.02 0.00 0.42 0.00 0.00 52.86 54.18 1q86 s ASN 64 Cb 0.09 0.83 0.05 0.00 -1.45 0.00 0.00 41.25 40.77 1q86 s ASN 64 CO 0.80 -0.47 0.00 -0.69 -3.72 0.00 0.00 177.10 173.03 1q86 s VAL 65 N -0.64 0.70 -0.25 -5.21 1.01 -1.26 -0.79 120.40 113.96 1q86 s VAL 65 Ca -0.07 -0.47 -0.13 0.00 0.00 0.00 0.00 61.98 61.32 1q86 s VAL 65 Cb -0.02 -1.04 -0.05 0.00 0.00 0.00 0.00 36.38 35.28 1q86 s VAL 65 CO 0.06 -0.02 0.26 -0.62 0.00 0.00 0.00 175.10 174.78 1q86 s ASP 66 N 1.80 6.17 0.05 3.32 -1.08 0.39 -4.97 116.67 122.33 1q86 s ASP 66 Ca 0.00 0.18 -0.02 0.00 -0.52 0.00 0.00 52.55 52.19 1q86 s ASP 66 Cb -0.16 -2.15 -0.27 0.00 -1.46 0.00 0.00 42.92 38.88 1q86 s ASP 66 CO -0.07 -0.05 1.02 -0.07 0.52 0.00 0.00 175.17 176.52 1q86 h LEU 67 N 8.06 0.35 0.29 -1.34 3.38 -1.95 -0.73 115.31 123.37 1q86 h LEU 67 Ca -0.35 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.18 1q86 h LEU 67 Cb 1.17 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1q86 h LEU 67 CO 0.63 1.34 -0.14 -0.78 0.09 0.00 0.00 178.44 179.58 1q86 h ASP 68 N 0.06 -0.33 0.12 -0.43 1.82 -1.96 -2.92 116.42 112.78 1q86 h ASP 68 Ca -0.17 -0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.38 1q86 h ASP 68 Cb 1.97 0.09 0.00 0.00 0.68 0.00 0.00 39.33 42.07 1q86 h ASP 68 CO 0.17 -0.11 -0.08 0.29 -1.61 0.00 0.00 179.24 177.91 1q86 n LYS 69 N -5.19 1.20 -3.77 0.28 5.02 -1.26 -4.96 118.16 109.48 1q86 n LYS 69 Ca -0.10 -0.58 -0.33 0.00 -2.02 0.00 0.00 58.31 55.28 1q86 n LYS 69 Cb 0.22 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.77 1q86 n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1q86 n ALA 70 N -0.39 -2.48 -2.63 7.82 0.00 -0.40 -4.99 120.51 117.44 1q86 n ALA 70 Ca 0.17 -0.29 -0.09 0.00 0.00 0.00 0.00 53.44 53.23 1q86 n ALA 70 Cb 0.30 -3.56 -0.08 0.00 0.00 0.00 0.00 19.45 16.12 1q86 n ALA 70 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1q86 s VAL 71 N -3.55 0.14 0.07 0.00 1.01 -0.49 -4.69 120.40 112.89 1q86 s VAL 71 Ca 0.41 -1.12 0.05 0.00 0.00 0.00 0.00 61.98 61.31 1q86 s VAL 71 Cb -0.16 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 1q86 s VAL 71 CO 0.88 -0.62 -0.13 0.27 0.00 0.00 0.00 175.10 175.50 1q86 s ILE 72 N -3.37 1.01 -0.20 2.22 -4.36 -0.58 -0.46 121.20 115.46 1q86 s ILE 72 Ca 0.01 -1.33 -0.09 0.00 -0.26 0.00 0.00 60.65 58.99 1q86 s ILE 72 Cb 0.03 -1.05 -0.05 0.00 1.25 0.00 0.00 42.46 42.64 1q86 s ILE 72 CO -0.08 -0.30 0.10 -1.00 0.24 0.00 0.00 174.94 173.91 1q86 s HIS 73 N -1.46 3.31 -0.10 1.37 3.76 0.03 -1.50 115.29 120.70 1q86 s HIS 73 Ca -0.02 0.17 0.02 0.00 -0.15 0.00 0.00 55.06 55.08 1q86 s HIS 73 Cb -0.09 -2.15 -0.01 0.00 1.11 0.00 0.00 32.58 31.44 1q86 s HIS 73 CO 0.02 0.16 -0.16 0.08 -0.85 0.00 0.00 174.74 173.99 1q86 s VAL 74 N 0.56 2.81 0.05 -0.90 1.01 -1.26 0.40 120.40 123.06 1q86 s VAL 74 Ca 0.06 -0.77 -0.35 0.00 0.00 0.00 0.00 61.98 60.91 1q86 s VAL 74 Cb -0.12 -2.14 -0.15 0.00 0.00 0.00 0.00 36.38 33.98 1q86 s VAL 74 CO 0.00 0.55 1.57 1.21 0.00 0.00 0.00 175.10 178.43 1q86 n GLU 75 N 3.24 1.73 -0.29 2.72 2.13 -0.49 -1.60 120.64 128.08 1q86 n GLU 75 Ca -0.18 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.27 1q86 n GLU 75 Cb 0.53 -2.36 0.00 0.00 0.27 0.00 0.00 31.44 29.88 1q86 n GLU 75 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1q86 n ASP 76 N 3.87 0.00 -4.47 4.31 8.00 -1.26 -4.60 116.55 122.41 1q86 n ASP 76 Ca 0.19 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.26 1q86 n ASP 76 Cb 0.24 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.33 1q86 n ASP 76 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1q86 s VAL 77 N -3.16 4.88 0.37 2.53 1.01 -0.63 -4.96 120.40 120.45 1q86 s VAL 77 Ca 0.00 -2.26 0.04 0.00 0.00 0.00 0.00 61.98 59.76 1q86 s VAL 77 Cb 0.00 -4.89 -0.04 0.00 0.00 0.00 0.00 36.38 31.45 1q86 s VAL 77 CO 0.00 -1.61 0.09 0.42 0.00 0.00 0.00 175.10 174.00 1q86 s THR 78 N 2.08 0.89 0.01 3.92 -4.23 -1.26 -1.18 115.64 115.87 1q86 s THR 78 Ca 0.40 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.98 1q86 s THR 78 Cb -0.03 -2.55 -0.02 0.00 1.34 0.00 0.00 72.50 71.24 1q86 s THR 78 CO -0.03 0.00 -0.22 -0.76 -0.54 0.00 0.00 174.62 173.08 1q86 s LEU 79 N -3.56 2.09 -0.45 4.79 1.43 0.49 -4.76 118.68 118.72 1q86 s LEU 79 Ca 0.29 -0.45 -0.26 0.00 -1.03 0.00 0.00 54.13 52.68 1q86 s LEU 79 Cb 0.05 -1.08 0.03 0.00 0.03 0.00 0.00 46.19 45.22 1q86 s LEU 79 CO 0.14 0.23 0.94 -0.70 0.23 0.00 0.00 176.35 177.19 1q86 s GLU 80 N -0.79 3.59 1.09 1.70 2.56 -1.26 -0.83 118.70 124.76 1q86 s GLU 80 Ca 0.08 0.24 -0.17 0.00 0.00 0.00 0.00 54.97 55.13 1q86 s GLU 80 Cb -0.09 -3.91 0.24 0.00 2.00 0.00 0.00 34.13 32.37 1q86 s GLU 80 CO 0.00 -1.20 1.15 0.15 -0.56 0.00 0.00 175.26 174.81 1q86 s LYS 81 N 3.76 -0.34 0.02 4.30 1.02 0.45 -4.94 119.74 124.01 1q86 s LYS 81 Ca 0.38 -0.02 -0.25 0.00 0.02 0.00 0.00 55.97 56.10 1q86 s LYS 81 Cb -0.10 -1.70 -0.18 0.00 -0.52 0.00 0.00 37.83 35.33 1q86 s LYS 81 CO 0.26 -3.13 1.41 1.15 -0.92 0.00 0.00 175.35 174.11 1q86 h THR 82 N -2.17 1.28 0.00 2.17 2.02 -1.96 -2.94 112.91 111.30 1q86 h THR 82 Ca -0.47 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 65.88 1q86 h THR 82 Cb 1.29 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.50 1q86 h THR 82 CO 0.42 0.22 0.00 -0.90 0.37 0.00 0.00 175.52 175.63 1q86 n ASP 83 N -4.90 0.00 0.00 4.18 5.68 -1.26 -4.81 116.55 115.44 1q86 n ASP 83 Ca -0.08 0.25 0.00 0.00 -0.50 0.00 0.00 54.79 54.47 1q86 n ASP 83 Cb 0.19 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 39.85 1q86 n ASP 83 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1q86 n GLY 84 N -0.81 2.43 3.61 6.12 0.00 -1.11 -5.08 105.19 110.35 1q86 n GLY 84 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1q86 n GLY 84 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1q86 n GLU 85 N -0.59 0.44 -3.98 1.61 2.13 -1.26 -4.59 120.64 114.41 1q86 n GLU 85 Ca 0.00 0.21 -0.34 0.00 0.66 0.00 0.00 57.16 57.69 1q86 n GLU 85 Cb 0.00 -2.21 -0.14 0.00 0.27 0.00 0.00 31.44 29.36 1q86 n GLU 85 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1q86 s GLU 86 N -3.38 2.56 0.14 5.31 2.12 -1.26 -0.41 118.70 123.77 1q86 s GLU 86 Ca 0.72 -1.16 0.07 0.00 0.36 0.00 0.00 54.97 54.96 1q86 s GLU 86 Cb -0.34 -3.01 -0.04 0.00 0.26 0.00 0.00 34.13 31.00 1q86 s GLU 86 CO 0.51 -0.51 -0.04 0.14 -0.54 0.00 0.00 175.26 174.83 1q86 s VAL 87 N 1.24 3.62 0.50 3.70 -7.23 -0.01 -4.87 120.40 117.35 1q86 s VAL 87 Ca -0.04 -1.32 -0.23 0.00 -1.81 0.00 0.00 61.98 58.58 1q86 s VAL 87 Cb -0.18 -2.77 -0.06 0.00 0.56 0.00 0.00 36.38 33.93 1q86 s VAL 87 CO -0.04 -0.01 1.28 -2.16 -0.31 0.00 0.00 175.10 173.86 1q86 s PRO 88 N -2.61 3.47 -0.45 4.82 0.04 -1.26 0.19 135.00 139.20 1q86 s PRO 88 Ca 0.25 2.04 -0.09 0.00 0.04 0.00 0.00 61.00 63.25 1q86 s PRO 88 Cb -0.10 -2.37 0.10 0.00 0.04 0.00 0.00 34.50 32.18 1q86 s PRO 88 CO 0.17 -0.87 0.30 0.50 0.04 0.00 0.00 177.00 177.14 1q86 s ARG 89 N -2.76 2.48 0.42 4.56 6.06 -0.33 -4.66 118.95 124.73 1q86 s ARG 89 Ca 0.67 -1.66 -0.21 0.00 -2.50 0.00 0.00 55.73 52.03 1q86 s ARG 89 Cb -0.35 -3.84 -0.15 0.00 0.06 0.00 0.00 34.95 30.66 1q86 s ARG 89 CO 0.43 -1.10 0.14 -2.30 -2.50 0.00 0.00 175.30 169.97 1q86 n PRO 90 N 4.88 0.09 -4.14 5.12 -0.02 -1.26 -4.80 135.00 134.87 1q86 n PRO 90 Ca -0.08 0.03 -0.16 0.00 -2.02 0.00 0.00 63.50 61.27 1q86 n PRO 90 Cb 0.42 -1.09 -0.12 0.00 -0.02 0.00 0.00 33.50 32.68 1q86 n PRO 90 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1q86 s LEU 91 N 3.95 2.23 -0.21 2.45 1.43 -0.56 -4.94 118.68 123.03 1q86 s LEU 91 Ca 0.60 -0.52 -0.17 0.00 -1.03 0.00 0.00 54.13 53.01 1q86 s LEU 91 Cb -0.61 -0.34 -0.03 0.00 0.03 0.00 0.00 46.19 45.23 1q86 s LEU 91 CO 0.62 -0.11 0.47 -0.62 0.23 0.00 0.00 176.35 176.94 1q86 s ASP 92 N -1.45 6.48 0.48 2.29 -1.08 -1.26 -1.52 116.67 120.61 1q86 s ASP 92 Ca -0.05 0.57 0.34 0.00 -0.52 0.00 0.00 52.55 52.89 1q86 s ASP 92 Cb -0.09 -2.26 1.48 0.00 -1.46 0.00 0.00 42.92 40.58 1q86 s ASP 92 CO 0.01 -0.16 1.66 0.71 0.52 0.00 0.00 175.17 177.91 1q86 h THR 93 N 5.15 0.19 -0.58 1.71 1.35 -1.84 0.95 112.91 119.85 1q86 h THR 93 Ca -0.34 -0.03 0.11 0.00 -0.55 0.00 0.00 66.41 65.61 1q86 h THR 93 Cb 1.16 0.09 -0.03 0.00 -1.73 0.00 0.00 68.15 67.64 1q86 h THR 93 CO 0.72 0.02 0.40 -1.28 -0.25 0.00 0.00 175.52 175.12 1q86 h SER 94 N 0.09 0.28 -0.61 5.36 0.87 -1.92 0.38 113.55 118.00 1q86 h SER 94 Ca 0.78 0.01 -0.18 0.00 -1.23 0.00 0.00 61.79 61.16 1q86 h SER 94 Cb 2.66 -0.05 -0.11 0.00 -0.44 0.00 0.00 62.40 64.47 1q86 h SER 94 CO -0.25 0.16 0.23 0.59 -0.53 0.00 0.00 176.83 177.04 1q86 n ASN 95 N -4.46 4.27 -4.10 6.23 3.02 0.33 -4.92 115.26 115.64 1q86 n ASN 95 Ca 0.10 -2.98 -0.14 0.00 -0.03 0.00 0.00 54.58 51.53 1q86 n ASN 95 Cb 0.43 -0.70 -0.11 0.00 -0.61 0.00 0.00 39.78 38.78 1q86 n ASN 95 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1q86 s VAL 96 N -2.51 0.68 -0.07 2.41 1.01 0.12 -0.93 120.40 121.12 1q86 s VAL 96 Ca 0.44 -1.22 0.02 0.00 0.00 0.00 0.00 61.98 61.23 1q86 s VAL 96 Cb 0.36 -0.81 0.01 0.00 0.00 0.00 0.00 36.38 35.93 1q86 s VAL 96 CO 0.11 -0.40 -0.13 -0.60 0.00 0.00 0.00 175.10 174.08 1q86 s ARG 97 N -1.84 1.80 -0.25 2.72 3.52 -0.27 -3.67 118.95 120.96 1q86 s ARG 97 Ca -0.06 -0.44 -0.29 0.00 -0.13 0.00 0.00 55.73 54.81 1q86 s ARG 97 Cb -0.09 -1.49 0.01 0.00 -1.56 0.00 0.00 34.95 31.82 1q86 s ARG 97 CO 0.00 0.02 1.09 0.08 -0.81 0.00 0.00 175.30 175.68 1q86 s VAL 98 N 0.71 4.56 -0.76 7.11 1.01 -0.71 0.31 120.40 132.63 1q86 s VAL 98 Ca -0.13 1.85 0.18 0.00 0.00 0.00 0.00 61.98 63.88 1q86 s VAL 98 Cb -0.16 -4.30 -0.20 0.00 0.00 0.00 0.00 36.38 31.72 1q86 s VAL 98 CO 0.03 -0.28 0.73 0.35 0.00 0.00 0.00 175.10 175.93 1q86 n THR 99 N 5.54 0.00 -3.67 3.92 -2.24 -0.52 -2.40 114.28 114.90 1q86 n THR 99 Ca 0.12 -0.11 -0.14 0.00 -2.27 0.00 0.00 64.05 61.65 1q86 n THR 99 Cb 0.46 0.90 -0.08 0.00 -2.10 0.00 0.00 70.33 69.51 1q86 n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1q86 s ASP 100 N -2.84 -0.60 0.01 3.42 -1.08 -1.14 -4.96 116.67 109.48 1q86 s ASP 100 Ca 0.05 1.13 0.03 0.00 -0.52 0.00 0.00 52.55 53.24 1q86 s ASP 100 Cb 0.13 1.14 -0.03 0.00 -1.46 0.00 0.00 42.92 42.70 1q86 s ASP 100 CO 0.74 -0.23 -0.06 -0.76 0.52 0.00 0.00 175.17 175.38 1q86 s LEU 101 N 0.18 3.21 -0.43 -1.34 1.43 -1.26 -0.76 118.68 119.71 1q86 s LEU 101 Ca -0.01 -0.15 -0.16 0.00 -1.03 0.00 0.00 54.13 52.78 1q86 s LEU 101 Cb -0.04 -1.85 0.03 0.00 0.03 0.00 0.00 46.19 44.36 1q86 s LEU 101 CO 0.01 0.27 0.40 -0.62 0.23 0.00 0.00 176.35 176.64 1q86 s ASP 102 N -1.52 6.16 -0.25 2.29 -1.08 -1.26 -4.87 116.67 116.13 1q86 s ASP 102 Ca 0.18 -0.85 0.13 0.00 -0.52 0.00 0.00 52.55 51.48 1q86 s ASP 102 Cb -0.11 -2.20 0.60 0.00 -1.46 0.00 0.00 42.92 39.75 1q86 s ASP 102 CO 0.09 -0.56 1.57 0.18 0.52 0.00 0.00 175.17 176.96 1q86 n LEU 103 N 5.43 4.71 0.00 -1.34 4.77 -1.26 -4.67 117.00 124.65 1q86 n LEU 103 Ca -0.09 -3.26 0.00 0.00 -0.03 0.00 0.00 56.01 52.63 1q86 n LEU 103 Cb 0.47 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1q86 n LEU 103 CO 0.45 0.85 0.47 -0.62 -1.33 0.00 0.00 177.39 177.21 1q86 n GLU 104 N -0.52 0.00 -3.64 3.23 1.02 -1.26 -4.43 120.64 115.04 1q86 n GLU 104 Ca 0.31 0.34 -0.36 0.00 -0.02 0.00 0.00 57.16 57.43 1q86 n GLU 104 Cb 1.10 -1.61 -0.08 0.00 -0.02 0.00 0.00 31.44 30.82 1q86 n GLU 104 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1q86 s ASP 105 N -2.67 6.23 0.11 1.62 -1.08 -1.26 -4.96 116.67 114.66 1q86 s ASP 105 Ca 0.00 0.25 -0.19 0.00 -0.52 0.00 0.00 52.55 52.09 1q86 s ASP 105 Cb 0.00 -2.12 -0.06 0.00 -1.46 0.00 0.00 42.92 39.27 1q86 s ASP 105 CO 0.00 0.09 1.71 -0.33 0.52 0.00 0.00 175.17 177.16 1q86 h GLU 106 N 7.09 0.33 -0.22 4.34 5.08 -2.00 -2.03 114.58 127.17 1q86 h GLU 106 Ca -0.39 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1q86 h GLU 106 Cb 1.16 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1q86 h GLU 106 CO 0.71 0.31 0.15 0.87 -1.00 0.00 0.00 179.01 180.05 1q86 h LYS 107 N 0.27 0.29 -0.40 2.33 1.57 -1.93 0.11 116.57 118.80 1q86 h LYS 107 Ca 0.08 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1q86 h LYS 107 Cb 0.08 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1q86 h LYS 107 CO -0.01 0.19 0.22 -0.09 -0.57 0.00 0.00 179.45 179.19 1q86 h ARG 108 N 0.30 0.56 -0.64 3.15 2.43 -1.90 -1.10 114.38 117.19 1q86 h ARG 108 Ca 0.08 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1q86 h ARG 108 Cb -0.03 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 1q86 h ARG 108 CO -0.02 0.46 0.34 1.49 -1.51 0.00 0.00 179.97 180.73 1q86 h GLU 109 N 0.52 0.90 0.51 0.20 4.81 -1.19 -1.05 114.58 119.28 1q86 h GLU 109 Ca 0.14 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1q86 h GLU 109 Cb 0.06 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1q86 h GLU 109 CO -0.02 0.69 -0.48 0.00 -0.73 0.00 0.00 179.01 178.46 1q86 h ALA 110 N 1.16 -1.15 -0.62 2.92 0.00 -0.39 -1.83 119.26 119.36 1q86 h ALA 110 Ca 0.22 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 55.07 1q86 h ALA 110 Cb 0.06 0.70 -0.11 0.00 0.00 0.00 0.00 17.79 18.44 1q86 h ALA 110 CO -0.03 -1.17 -0.06 0.00 0.00 0.00 0.00 179.25 177.98 1q86 h ARG 111 N -0.99 0.06 -0.69 0.00 3.08 -1.06 -0.10 114.38 114.68 1q86 h ARG 111 Ca -0.06 -0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.10 1q86 h ARG 111 Cb 0.85 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.80 1q86 h ARG 111 CO -0.04 0.04 0.25 -0.07 -1.07 0.00 0.00 179.97 179.08 1q86 h LEU 112 N 0.06 0.23 0.07 3.04 3.38 -0.85 -3.05 115.31 118.19 1q86 h LEU 112 Ca 0.31 0.10 -0.17 0.00 0.09 0.00 0.00 57.88 58.21 1q86 h LEU 112 Cb 0.50 0.09 0.02 0.00 0.09 0.00 0.00 40.66 41.35 1q86 h LEU 112 CO -0.57 0.11 -0.71 -0.33 0.09 0.00 0.00 178.44 177.03 1q86 h GLU 113 N 0.41 0.35 -6.44 1.13 5.08 -0.39 -3.46 114.58 111.27 1q86 h GLU 113 Ca 0.37 -0.48 -0.57 0.00 -1.00 0.00 0.00 59.36 57.68 1q86 h GLU 113 Cb 0.52 0.16 0.19 0.00 0.50 0.00 0.00 28.75 30.12 1q86 h GLU 113 CO -0.37 1.17 -0.73 -1.13 -1.00 0.00 0.00 179.01 176.95 1q86 n SER 114 N -4.17 -2.29 -0.62 1.42 3.41 -0.17 -4.88 113.62 106.32 1q86 n SER 114 Ca -0.12 0.56 0.10 0.00 -0.26 0.00 0.00 58.87 59.14 1q86 n SER 114 Cb 0.75 -1.08 0.04 0.00 -0.26 0.00 0.00 64.21 63.66 1q86 n SER 114 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1q86 n GLU 115 N 0.13 1.63 -0.05 4.33 0.28 -1.26 -4.30 120.64 121.41 1q86 n GLU 115 Ca 0.08 -1.31 0.09 0.00 -0.16 0.00 0.00 57.16 55.87 1q86 n GLU 115 Cb 0.50 -1.37 0.10 0.00 1.43 0.00 0.00 31.44 32.10 1q86 n GLU 115 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1q86 n ASP 116 N 0.55 2.68 -3.86 -1.84 8.00 -1.26 -4.98 116.55 115.84 1q86 n ASP 116 Ca 0.10 -1.80 -0.11 0.00 0.71 0.00 0.00 54.79 53.69 1q86 n ASP 116 Cb 0.45 -0.06 -0.09 0.00 -0.02 0.00 0.00 41.12 41.40 1q86 n ASP 116 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1q86 s ASP 117 N -1.43 0.03 0.15 -2.24 -1.08 -1.26 -5.17 116.67 105.67 1q86 s ASP 117 Ca 0.24 -0.32 0.10 0.00 -0.52 0.00 0.00 52.55 52.05 1q86 s ASP 117 Cb 0.16 0.26 -0.04 0.00 -1.46 0.00 0.00 42.92 41.84 1q86 s ASP 117 CO 0.23 -0.50 -0.23 -0.94 0.52 0.00 0.00 175.17 174.25 1q86 s SER 118 N -1.87 3.09 0.00 -0.34 1.04 -1.26 -4.71 113.70 109.65 1q86 s SER 118 Ca -0.08 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.56 1q86 s SER 118 Cb -0.03 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.89 1q86 s SER 118 CO -0.02 0.10 0.34 0.00 0.98 0.00 0.00 173.24 174.64