#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q81 s GLN 2 N 0.00 2.81 -0.16 2.12 1.03 -1.26 -1.07 119.66 123.13 1q81 s GLN 2 Ca 0.00 -0.65 0.01 0.00 0.04 0.00 0.00 55.36 54.76 1q81 s GLN 2 Cb 0.00 -2.69 0.02 0.00 0.03 0.00 0.00 33.01 30.37 1q81 s GLN 2 CO 0.00 0.60 -0.15 0.00 -2.54 0.00 0.00 175.29 173.20 1q81 s ALA 3 N -1.21 1.98 -0.56 2.60 0.00 0.47 -4.67 121.76 120.36 1q81 s ALA 3 Ca 0.23 -1.02 -0.28 0.00 0.00 0.00 0.00 51.96 50.90 1q81 s ALA 3 Cb -0.12 -1.12 0.03 0.00 0.00 0.00 0.00 23.12 21.92 1q81 s ALA 3 CO 0.15 -0.44 1.15 0.99 0.00 0.00 0.00 175.76 177.61 1q81 s THR 4 N 1.43 4.09 0.38 0.00 2.01 -1.26 -0.35 115.64 121.94 1q81 s THR 4 Ca 0.04 0.85 -0.25 0.00 0.31 0.00 0.00 61.69 62.64 1q81 s THR 4 Cb -0.13 -4.69 -0.09 0.00 0.01 0.00 0.00 72.50 67.60 1q81 s THR 4 CO -0.11 -1.27 1.06 -0.63 -0.69 0.00 0.00 174.62 172.98 1q81 s ILE 5 N 4.75 3.69 0.03 1.82 1.01 -1.16 -4.34 121.20 127.00 1q81 s ILE 5 Ca 0.42 1.34 0.08 0.00 0.00 0.00 0.00 60.65 62.49 1q81 s ILE 5 Cb -0.08 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 1q81 s ILE 5 CO 0.25 0.05 -0.23 -0.31 0.00 0.00 0.00 174.94 174.70 1q81 s TYR 6 N -1.60 2.03 0.66 3.97 1.51 -1.04 -1.68 117.35 121.21 1q81 s TYR 6 Ca 0.56 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 56.19 1q81 s TYR 6 Cb -0.23 -1.24 0.06 0.00 -0.11 0.00 0.00 41.96 40.44 1q81 s TYR 6 CO 0.29 0.07 0.94 0.16 -1.11 0.00 0.00 175.55 175.91 1q81 s ASP 7 N -1.04 4.89 0.00 2.29 -4.77 -1.09 -1.10 116.67 115.85 1q81 s ASP 7 Ca 0.09 0.25 0.04 0.00 -3.30 0.00 0.00 52.55 49.63 1q81 s ASP 7 Cb -0.09 -0.94 0.21 0.00 -1.09 0.00 0.00 42.92 41.01 1q81 s ASP 7 CO 0.01 -1.50 0.55 0.18 0.70 0.00 0.00 175.17 175.11 1q81 n LEU 8 N -2.75 0.00 -0.00 2.11 4.77 -1.26 -1.03 117.00 118.83 1q81 n LEU 8 Ca 0.09 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.14 1q81 n LEU 8 Cb 0.60 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.59 1q81 n LEU 8 CO 0.49 0.00 -0.39 0.47 -1.33 0.00 0.00 177.39 176.63 1q81 n ASP 9 N -0.75 1.13 0.00 -1.43 8.00 -1.26 -4.76 116.55 117.49 1q81 n ASP 9 Ca 0.03 -0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.14 1q81 n ASP 9 Cb 0.01 1.39 0.00 0.00 -0.02 0.00 0.00 41.12 42.50 1q81 n ASP 9 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q81 n GLY 10 N 1.50 0.96 3.70 0.44 0.00 -0.20 -4.91 105.19 106.68 1q81 n GLY 10 Ca -0.00 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1q81 n GLY 10 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1q81 s ASN 11 N -2.01 6.06 0.31 1.61 0.01 -1.26 -4.86 114.94 114.80 1q81 s ASN 11 Ca 0.00 0.18 -0.22 0.00 -0.71 0.00 0.00 52.86 52.11 1q81 s ASN 11 Cb 0.00 -2.06 -0.15 0.00 0.41 0.00 0.00 41.25 39.45 1q81 s ASN 11 CO 0.00 0.16 0.21 0.35 -1.51 0.00 0.00 177.10 176.31 1q81 n THR 12 N 3.63 1.00 -2.82 1.60 -2.24 -1.26 -2.66 114.28 111.53 1q81 n THR 12 Ca -0.16 -0.46 -0.11 0.00 -2.27 0.00 0.00 64.05 61.05 1q81 n THR 12 Cb 0.52 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.81 1q81 n THR 12 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1q81 n ASP 13 N 2.06 -0.97 0.00 3.42 -0.08 -0.67 -4.77 116.55 115.55 1q81 n ASP 13 Ca 0.12 -3.12 0.00 0.00 -1.51 0.00 0.00 54.79 50.28 1q81 n ASP 13 Cb 0.32 0.78 0.00 0.00 2.34 0.00 0.00 41.12 44.56 1q81 n ASP 13 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1q81 n GLY 14 N 0.06 -1.53 3.63 0.27 0.00 -1.26 -4.71 105.19 101.66 1q81 n GLY 14 Ca 0.09 -1.77 -0.04 0.00 0.00 0.00 0.00 46.02 44.30 1q81 n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1q81 s GLU 15 N 0.00 0.16 0.39 1.61 -1.05 -1.26 -2.99 118.70 115.56 1q81 s GLU 15 Ca 0.00 0.08 0.08 0.00 -0.15 0.00 0.00 54.97 54.98 1q81 s GLU 15 Cb 0.00 0.08 -0.07 0.00 -0.44 0.00 0.00 34.13 33.70 1q81 s GLU 15 CO 0.00 -0.04 0.01 0.08 0.95 0.00 0.00 175.26 176.26 1q81 s VAL 16 N -0.67 2.17 -0.09 1.83 1.01 0.52 -4.86 120.40 120.31 1q81 s VAL 16 Ca 0.07 -2.00 -0.28 0.00 0.00 0.00 0.00 61.98 59.77 1q81 s VAL 16 Cb -0.02 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 1q81 s VAL 16 CO -0.09 -0.07 0.93 -1.81 0.00 0.00 0.00 175.10 174.06 1q81 s ASP 17 N -3.72 7.18 -0.49 3.32 1.01 -1.26 0.18 116.67 122.89 1q81 s ASP 17 Ca 0.35 1.44 -0.27 0.00 0.71 0.00 0.00 52.55 54.78 1q81 s ASP 17 Cb 0.06 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.45 1q81 s ASP 17 CO 0.18 -0.36 1.87 -0.22 0.21 0.00 0.00 175.17 176.85 1q81 s LEU 18 N 1.69 3.39 0.81 1.23 2.96 -0.23 -4.85 118.68 123.68 1q81 s LEU 18 Ca 0.46 0.79 -0.16 0.00 -0.22 0.00 0.00 54.13 55.00 1q81 s LEU 18 Cb -0.18 -2.94 -0.14 0.00 0.50 0.00 0.00 46.19 43.43 1q81 s LEU 18 CO 0.19 -2.13 -0.60 -0.81 -1.32 0.00 0.00 176.35 171.68 1q81 n PRO 19 N 8.84 0.00 -0.19 0.98 -0.04 -1.26 -3.84 135.00 139.49 1q81 n PRO 19 Ca 0.22 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.64 1q81 n PRO 19 Cb 0.50 -0.91 0.06 0.00 -0.04 0.00 0.00 33.50 33.11 1q81 n PRO 19 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1q81 h ASP 20 N -0.71 0.50 -1.16 3.54 3.32 -1.92 -3.07 116.42 116.93 1q81 h ASP 20 Ca -0.39 0.02 0.41 0.00 0.02 0.00 0.00 57.03 57.08 1q81 h ASP 20 Cb 1.21 -0.08 -0.15 0.00 0.22 0.00 0.00 39.33 40.52 1q81 h ASP 20 CO 0.25 0.34 0.70 -0.37 -1.72 0.00 0.00 179.24 178.43 1q81 h VAL 21 N 0.62 0.12 0.00 -1.35 -1.51 -1.89 1.11 116.25 113.36 1q81 h VAL 21 Ca 0.24 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.67 1q81 h VAL 21 Cb 0.09 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.25 1q81 h VAL 21 CO -0.13 0.02 0.00 0.49 -1.23 0.00 0.00 177.57 176.72 1q81 n PHE 22 N -4.94 0.00 0.19 5.19 3.01 -1.16 -0.39 117.46 119.36 1q81 n PHE 22 Ca 0.36 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.85 1q81 n PHE 22 Cb 1.29 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 40.80 1q81 n PHE 22 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1q81 n GLU 23 N -0.58 0.25 -2.02 -1.08 1.02 0.38 -4.61 120.64 114.00 1q81 n GLU 23 Ca 0.02 -0.98 -0.41 0.00 -0.02 0.00 0.00 57.16 55.77 1q81 n GLU 23 Cb 0.01 -1.12 -0.02 0.00 -0.02 0.00 0.00 31.44 30.30 1q81 n GLU 23 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1q81 s THR 24 N -0.56 2.54 0.28 2.62 2.01 0.48 -4.92 115.64 118.09 1q81 s THR 24 Ca 0.08 0.53 -0.30 0.00 0.31 0.00 0.00 61.69 62.31 1q81 s THR 24 Cb 0.05 -3.34 -0.11 0.00 0.01 0.00 0.00 72.50 69.11 1q81 s THR 24 CO 0.07 0.12 1.55 -2.16 -0.69 0.00 0.00 174.62 173.51 1q81 s PRO 25 N -1.69 4.16 -0.35 4.92 0.04 -1.26 -4.72 135.00 136.10 1q81 s PRO 25 Ca 0.51 2.50 -0.29 0.00 0.04 0.00 0.00 61.00 63.76 1q81 s PRO 25 Cb -0.42 -3.05 -0.00 0.00 0.04 0.00 0.00 34.50 31.08 1q81 s PRO 25 CO 0.54 -0.57 1.46 0.08 0.04 0.00 0.00 177.00 178.55 1q81 s VAL 26 N -0.04 3.88 -0.84 -0.36 1.01 -1.26 -4.76 120.40 118.03 1q81 s VAL 26 Ca 0.62 0.93 -0.01 0.00 0.00 0.00 0.00 61.98 63.53 1q81 s VAL 26 Cb -0.46 -4.06 0.21 0.00 0.00 0.00 0.00 36.38 32.07 1q81 s VAL 26 CO 0.47 -0.59 0.71 -0.60 0.00 0.00 0.00 175.10 175.09 1q81 s ARG 27 N 4.80 3.09 0.61 2.72 6.06 -1.26 -4.90 118.95 130.08 1q81 s ARG 27 Ca 0.64 -3.23 0.34 0.00 -2.50 0.00 0.00 55.73 50.97 1q81 s ARG 27 Cb -0.17 -3.85 1.98 0.00 0.06 0.00 0.00 34.95 32.97 1q81 s ARG 27 CO 0.30 -1.26 2.28 0.66 -2.50 0.00 0.00 175.30 174.78 1q81 h SER 28 N 5.99 0.00 -0.30 -2.12 4.64 -1.93 -1.12 113.55 118.71 1q81 h SER 28 Ca 0.14 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.36 1q81 h SER 28 Cb 0.81 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 1q81 h SER 28 CO 0.82 0.00 -0.22 -2.24 -0.87 0.00 0.00 176.83 174.32 1q81 h ASP 29 N 0.00 0.72 0.28 4.97 2.03 -1.93 0.67 116.42 123.16 1q81 h ASP 29 Ca 0.01 -0.44 -0.18 0.00 -0.73 0.00 0.00 57.03 55.68 1q81 h ASP 29 Cb 0.04 -0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 38.34 1q81 h ASP 29 CO -0.00 1.01 -0.73 -0.07 -1.03 0.00 0.00 179.24 178.42 1q81 h LEU 30 N 0.44 0.46 0.56 0.15 3.38 -1.71 -2.60 115.31 116.00 1q81 h LEU 30 Ca 0.06 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 1q81 h LEU 30 Cb 0.77 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1q81 h LEU 30 CO 0.06 1.05 -0.33 0.40 0.09 0.00 0.00 178.44 179.71 1q81 h ILE 31 N 0.26 0.33 -0.78 1.22 2.04 -1.17 -2.04 117.51 117.36 1q81 h ILE 31 Ca -0.03 0.00 0.16 0.00 1.00 0.00 0.00 64.86 65.99 1q81 h ILE 31 Cb 1.31 0.33 -0.11 0.00 -0.74 0.00 0.00 36.82 37.61 1q81 h ILE 31 CO 0.12 0.00 0.29 1.23 0.00 0.00 0.00 178.15 179.80 1q81 h GLY 32 N -0.84 1.20 0.93 5.37 0.00 -0.84 0.43 103.07 109.33 1q81 h GLY 32 Ca -0.07 -0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.16 1q81 h GLY 32 CO 0.08 -0.16 0.66 1.70 0.00 0.00 0.00 176.54 178.82 1q81 h LYS 33 N 0.39 1.26 -0.06 4.80 3.64 -1.15 0.24 116.57 125.70 1q81 h LYS 33 Ca 0.45 -0.08 -0.16 0.00 -1.27 0.00 0.00 60.65 59.59 1q81 h LYS 33 Cb 0.74 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1q81 h LYS 33 CO -0.46 0.84 -0.68 0.00 -2.27 0.00 0.00 179.45 176.88 1q81 h ALA 34 N 1.40 0.73 -0.22 5.00 0.00 -0.27 -1.81 119.26 124.09 1q81 h ALA 34 Ca 0.39 -0.59 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 1q81 h ALA 34 Cb -0.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1q81 h ALA 34 CO -0.11 0.77 -0.48 0.28 0.00 0.00 0.00 179.25 179.72 1q81 h VAL 35 N 0.19 1.31 -0.09 0.00 2.07 -0.47 -2.35 116.25 116.90 1q81 h VAL 35 Ca -0.02 -1.69 0.04 0.00 0.82 0.00 0.00 66.70 65.84 1q81 h VAL 35 Cb 1.23 1.81 -0.04 0.00 -1.52 0.00 0.00 31.29 32.77 1q81 h VAL 35 CO 0.11 0.53 -0.14 -0.09 0.02 0.00 0.00 177.57 178.00 1q81 h ARG 36 N 0.43 -0.19 -0.32 1.57 2.43 -0.42 -1.68 114.38 116.20 1q81 h ARG 36 Ca 0.00 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.25 1q81 h ARG 36 Cb 1.09 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.62 1q81 h ARG 36 CO 0.11 -0.13 -0.09 0.00 -1.51 0.00 0.00 179.97 178.35 1q81 h ALA 37 N 0.83 0.19 -0.69 2.80 0.00 -1.32 -1.11 119.26 119.96 1q81 h ALA 37 Ca 0.08 0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.21 1q81 h ALA 37 Cb 0.31 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 1q81 h ALA 37 CO -0.21 -0.48 0.33 0.00 0.00 0.00 0.00 179.25 178.90 1q81 h ALA 38 N 1.29 0.95 -0.03 0.00 0.00 -0.99 0.12 119.26 120.59 1q81 h ALA 38 Ca 0.15 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 1q81 h ALA 38 Cb 0.25 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1q81 h ALA 38 CO -0.34 -0.07 -0.58 1.96 0.00 0.00 0.00 179.25 180.22 1q81 h GLN 39 N 0.57 0.09 0.07 0.00 4.20 -0.64 -3.07 115.11 116.33 1q81 h GLN 39 Ca 0.34 -0.06 -0.26 0.00 0.06 0.00 0.00 58.65 58.73 1q81 h GLN 39 Cb 0.37 0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.17 1q81 h GLN 39 CO -0.27 0.65 -1.11 0.00 -0.67 0.00 0.00 178.83 177.43 1q81 h ALA 40 N 1.34 0.20 0.00 3.87 0.00 -0.63 -3.23 119.26 120.81 1q81 h ALA 40 Ca -0.00 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1q81 h ALA 40 Cb 1.04 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1q81 h ALA 40 CO 0.08 0.84 0.00 -0.91 0.00 0.00 0.00 179.25 179.26 1q81 h ASN 41 N 0.19 0.00 -0.33 0.00 2.35 -0.89 -1.18 115.58 115.72 1q81 h ASN 41 Ca -0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1q81 h ASN 41 Cb 1.78 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.15 1q81 h ASN 41 CO 0.19 0.00 0.00 -2.11 -1.65 0.00 0.00 177.43 173.86 1q81 n ARG 42 N -2.69 2.25 -2.65 0.81 1.85 -1.21 -4.95 116.66 110.08 1q81 n ARG 42 Ca -0.01 -2.07 -0.40 0.00 -1.00 0.00 0.00 57.85 54.38 1q81 n ARG 42 Cb 0.11 -1.42 -0.05 0.00 -1.05 0.00 0.00 32.46 30.05 1q81 n ARG 42 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1q81 s LYS 43 N -1.28 4.71 0.14 2.89 3.01 -0.45 -5.03 119.74 123.73 1q81 s LYS 43 Ca 0.32 1.58 -0.14 0.00 -1.01 0.00 0.00 55.97 56.72 1q81 s LYS 43 Cb 0.18 -3.15 -0.07 0.00 -1.01 0.00 0.00 37.83 33.79 1q81 s LYS 43 CO 0.26 0.35 0.54 -0.65 0.51 0.00 0.00 175.35 176.35 1q81 s GLN 44 N -1.45 3.96 0.31 1.68 -0.21 -1.26 -4.99 119.66 117.70 1q81 s GLN 44 Ca 0.44 0.46 -0.29 0.00 0.02 0.00 0.00 55.36 56.00 1q81 s GLN 44 Cb -0.27 -2.93 -0.10 0.00 1.00 0.00 0.00 33.01 30.71 1q81 s GLN 44 CO 0.34 0.48 1.25 -0.51 -2.12 0.00 0.00 175.29 174.73 1q81 s ASP 45 N -1.73 6.91 0.22 5.90 -0.00 -1.26 -5.04 116.67 121.67 1q81 s ASP 45 Ca 0.38 2.56 -0.07 0.00 -0.00 0.00 0.00 52.55 55.42 1q81 s ASP 45 Cb -0.15 -2.64 -0.02 0.00 -0.00 0.00 0.00 42.92 40.11 1q81 s ASP 45 CO 0.19 -0.43 0.30 -0.72 -0.00 0.00 0.00 175.17 174.51 1q81 s TYR 46 N -1.06 0.78 0.00 4.23 -0.85 -1.26 -5.01 117.35 114.17 1q81 s TYR 46 Ca 0.48 -1.06 0.00 0.00 -0.52 0.00 0.00 57.07 55.97 1q81 s TYR 46 Cb -0.37 -0.20 0.00 0.00 0.38 0.00 0.00 41.96 41.76 1q81 s TYR 46 CO 0.49 -0.81 0.00 0.41 -1.52 0.00 0.00 175.55 174.12 1q81 n GLY 47 N -0.32 2.08 3.76 5.49 0.00 -1.26 -2.28 105.19 112.66 1q81 n GLY 47 Ca 0.00 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 1q81 n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1q81 s SER 48 N 0.00 3.45 0.19 1.61 1.04 -1.18 -4.85 113.70 113.96 1q81 s SER 48 Ca 0.00 1.07 -0.31 0.00 0.48 0.00 0.00 55.95 57.19 1q81 s SER 48 Cb 0.00 -1.69 -0.10 0.00 0.10 0.00 0.00 66.02 64.33 1q81 s SER 48 CO 0.00 -2.60 1.59 -0.62 0.98 0.00 0.00 173.24 172.59 1q81 s ASP 49 N -3.87 6.54 0.38 7.02 -1.08 -1.26 -4.89 116.67 119.50 1q81 s ASP 49 Ca 0.64 2.69 0.12 0.00 -0.52 0.00 0.00 52.55 55.48 1q81 s ASP 49 Cb -0.16 -2.60 0.92 0.00 -1.46 0.00 0.00 42.92 39.63 1q81 s ASP 49 CO 0.54 -0.85 1.86 -0.33 0.52 0.00 0.00 175.17 176.91 1q81 h GLU 50 N 6.51 0.56 -0.02 4.34 4.39 -1.98 -1.90 114.58 126.48 1q81 h GLU 50 Ca -0.43 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1q81 h GLU 50 Cb 1.21 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1q81 h GLU 50 CO 0.90 0.37 -0.33 0.66 -1.16 0.00 0.00 179.01 179.45 1q81 n TYR 51 N -4.56 0.00 -1.50 4.33 4.02 -1.26 -4.94 117.16 113.25 1q81 n TYR 51 Ca 0.19 0.00 -0.56 0.00 -0.01 0.00 0.00 57.90 57.52 1q81 n TYR 51 Cb 0.57 -0.01 -0.08 0.00 -0.02 0.00 0.00 39.34 39.80 1q81 n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1q81 n ALA 52 N 0.22 0.38 0.00 -0.72 0.00 -0.72 0.18 120.51 119.86 1q81 n ALA 52 Ca 0.11 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1q81 n ALA 52 Cb 0.48 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.62 1q81 n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q81 n GLY 53 N 5.89 1.26 1.07 0.00 0.00 -1.26 -4.24 105.19 107.91 1q81 n GLY 53 Ca 0.39 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.52 1q81 n GLY 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q81 n LEU 54 N 0.00 3.34 -3.73 0.99 4.77 0.13 -3.51 117.00 118.99 1q81 n LEU 54 Ca 0.00 -1.50 -0.42 0.00 -0.03 0.00 0.00 56.01 54.06 1q81 n LEU 54 Cb 0.00 -0.23 -0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1q81 n LEU 54 CO 0.00 0.72 2.43 0.54 -1.33 0.00 0.00 177.39 179.75 1q81 n ARG 55 N 1.37 3.39 -3.59 3.23 1.74 -1.23 -4.86 116.66 116.72 1q81 n ARG 55 Ca 0.18 -3.02 -0.05 0.00 -0.77 0.00 0.00 57.85 54.19 1q81 n ARG 55 Cb 0.57 -3.04 -0.02 0.00 -1.02 0.00 0.00 32.46 28.95 1q81 n ARG 55 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1q81 s THR 56 N 1.58 0.00 -1.41 0.55 -1.32 -1.26 -5.03 115.64 108.75 1q81 s THR 56 Ca 0.46 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 61.13 1q81 s THR 56 Cb 0.13 -1.00 0.66 0.00 -1.51 0.00 0.00 72.50 70.78 1q81 s THR 56 CO -0.05 0.00 1.56 -0.81 -2.21 0.00 0.00 174.62 173.11 1q81 n PRO 57 N -0.04 3.29 -1.33 7.08 -0.04 -1.26 -5.02 135.00 137.68 1q81 n PRO 57 Ca -0.01 -2.62 -0.42 0.00 -0.04 0.00 0.00 63.50 60.41 1q81 n PRO 57 Cb 0.59 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 1q81 n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1q81 n ALA 58 N 1.18 -2.62 -2.67 0.55 0.00 -1.26 -5.00 120.51 110.69 1q81 n ALA 58 Ca 0.24 0.11 -0.09 0.00 0.00 0.00 0.00 53.44 53.70 1q81 n ALA 58 Cb 0.77 -1.55 -0.07 0.00 0.00 0.00 0.00 19.45 18.60 1q81 n ALA 58 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1q81 s GLU 59 N -1.16 1.03 -0.14 0.00 2.02 -0.65 -4.69 118.70 115.10 1q81 s GLU 59 Ca 0.60 -1.07 -0.15 0.00 0.02 0.00 0.00 54.97 54.37 1q81 s GLU 59 Cb -0.62 0.37 -0.04 0.00 0.10 0.00 0.00 34.13 33.94 1q81 s GLU 59 CO 0.62 -0.36 0.37 0.45 0.02 0.00 0.00 175.26 176.35 1q81 s SER 60 N -2.92 6.54 0.12 -0.19 0.15 -1.26 0.66 113.70 116.80 1q81 s SER 60 Ca 0.12 0.64 0.21 0.00 0.70 0.00 0.00 55.95 57.62 1q81 s SER 60 Cb 0.04 -2.22 0.86 0.00 -1.71 0.00 0.00 66.02 62.98 1q81 s SER 60 CO -0.05 0.07 1.66 0.49 1.20 0.00 0.00 173.24 176.61 1q81 n PHE 61 N 3.52 0.40 -4.17 3.44 3.01 -1.26 -4.99 117.46 117.41 1q81 n PHE 61 Ca -0.10 0.14 0.00 0.00 1.01 0.00 0.00 57.45 58.50 1q81 n PHE 61 Cb 0.52 -0.73 0.00 0.00 -0.01 0.00 0.00 39.48 39.26 1q81 n PHE 61 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1q81 n GLY 62 N 0.38 -0.24 3.88 1.37 0.00 -1.26 -4.83 105.19 104.49 1q81 n GLY 62 Ca 0.04 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 1q81 n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q81 s SER 63 N -4.00 5.81 0.00 1.61 0.01 -1.26 -4.65 113.70 111.22 1q81 s SER 63 Ca 0.00 1.26 0.00 0.00 1.31 0.00 0.00 55.95 58.52 1q81 s SER 63 Cb 0.00 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 64.05 1q81 s SER 63 CO 0.00 -1.12 0.00 0.61 0.41 0.00 0.00 173.24 173.14 1q81 n GLY 64 N -2.89 1.84 0.25 3.44 0.00 -1.26 -4.95 105.19 101.62 1q81 n GLY 64 Ca 0.06 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.12 1q81 n GLY 64 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1q81 n ARG 65 N 0.00 0.69 -2.68 1.61 1.85 -1.26 -4.99 116.66 111.88 1q81 n ARG 65 Ca 0.00 -1.50 -0.19 0.00 -1.00 0.00 0.00 57.85 55.15 1q81 n ARG 65 Cb 0.00 -0.87 0.01 0.00 -1.05 0.00 0.00 32.46 30.55 1q81 n ARG 65 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1q81 n GLY 66 N -0.52 -0.39 3.45 2.89 0.00 -1.26 -5.00 105.19 104.36 1q81 n GLY 66 Ca 0.05 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1q81 n GLY 66 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1q81 s GLN 67 N -5.28 1.64 0.36 1.61 0.74 -1.26 -5.11 119.66 112.35 1q81 s GLN 67 Ca 0.15 -1.40 -0.26 0.00 0.05 0.00 0.00 55.36 53.90 1q81 s GLN 67 Cb -0.07 -1.95 -0.09 0.00 1.10 0.00 0.00 33.01 32.00 1q81 s GLN 67 CO 0.19 0.43 1.06 0.00 -0.55 0.00 0.00 175.29 176.41 1q81 s ALA 68 N -1.49 3.19 -1.01 1.58 0.00 -1.26 -4.86 121.76 117.92 1q81 s ALA 68 Ca 0.20 0.76 -0.25 0.00 0.00 0.00 0.00 51.96 52.66 1q81 s ALA 68 Cb -0.09 -3.29 -0.14 0.00 0.00 0.00 0.00 23.12 19.60 1q81 s ALA 68 CO 0.10 -0.18 2.11 -1.01 0.00 0.00 0.00 175.76 176.79 1q81 s HIS 69 N -1.49 1.47 -0.02 0.00 0.09 -1.26 -4.85 115.29 109.23 1q81 s HIS 69 Ca 0.53 1.52 0.05 0.00 -0.00 0.00 0.00 55.06 57.15 1q81 s HIS 69 Cb -0.25 -3.63 -0.01 0.00 -0.00 0.00 0.00 32.58 28.69 1q81 s HIS 69 CO 0.32 -1.19 -0.17 0.08 -0.00 0.00 0.00 174.74 173.78 1q81 s VAL 70 N 13.91 1.33 0.23 -0.90 1.01 -1.26 -5.02 120.40 129.70 1q81 s VAL 70 Ca 0.79 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 1q81 s VAL 70 Cb -0.06 -1.12 -0.10 0.00 0.00 0.00 0.00 36.38 35.10 1q81 s VAL 70 CO 0.11 0.38 1.43 -2.84 0.00 0.00 0.00 175.10 174.18 1q81 s PRO 71 N -0.28 4.29 0.11 2.72 0.02 -1.26 -4.27 135.00 136.32 1q81 s PRO 71 Ca 0.04 2.26 0.03 0.00 0.02 0.00 0.00 61.00 63.35 1q81 s PRO 71 Cb -0.08 -3.13 -0.04 0.00 0.02 0.00 0.00 34.50 31.27 1q81 s PRO 71 CO -0.00 -0.41 -0.08 0.15 -0.33 0.00 0.00 177.00 176.33 1q81 s LYS 72 N -0.18 0.87 -0.15 5.54 1.02 0.21 -1.30 119.74 125.75 1q81 s LYS 72 Ca 0.60 -1.28 -0.10 0.00 0.02 0.00 0.00 55.97 55.21 1q81 s LYS 72 Cb -0.41 -0.40 0.05 0.00 -0.52 0.00 0.00 37.83 36.55 1q81 s LYS 72 CO 0.41 0.03 0.38 -1.17 -0.92 0.00 0.00 175.35 174.09 1q81 s LEU 73 N -2.82 0.17 -1.13 3.17 2.96 0.18 -1.64 118.68 119.56 1q81 s LEU 73 Ca 0.10 0.80 -0.05 0.00 -0.22 0.00 0.00 54.13 54.76 1q81 s LEU 73 Cb 0.02 1.25 0.04 0.00 0.50 0.00 0.00 46.19 48.00 1q81 s LEU 73 CO -0.02 -0.17 0.29 0.47 -1.32 0.00 0.00 176.35 175.60 1q81 n ASP 74 N 3.83 -3.68 -1.13 3.68 8.00 -1.26 -0.17 116.55 125.82 1q81 n ASP 74 Ca -0.20 -0.13 -0.14 0.00 0.71 0.00 0.00 54.79 55.03 1q81 n ASP 74 Cb 0.56 -3.08 -0.05 0.00 -0.02 0.00 0.00 41.12 38.52 1q81 n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q81 n GLY 75 N -1.01 1.13 3.11 0.44 0.00 -1.26 -5.00 105.19 102.59 1q81 n GLY 75 Ca -0.06 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 1q81 n GLY 75 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1q81 s ARG 76 N -3.43 2.50 0.55 1.61 3.52 0.77 -5.10 118.95 119.37 1q81 s ARG 76 Ca 0.00 -0.67 -0.20 0.00 -0.13 0.00 0.00 55.73 54.72 1q81 s ARG 76 Cb 0.00 -2.03 -0.05 0.00 -1.56 0.00 0.00 34.95 31.31 1q81 s ARG 76 CO 0.00 0.01 1.22 0.00 -0.81 0.00 0.00 175.30 175.72 1q81 s ALA 77 N 0.77 2.72 0.28 6.12 0.00 -1.26 -0.65 121.76 129.73 1q81 s ALA 77 Ca -0.10 1.04 -0.11 0.00 0.00 0.00 0.00 51.96 52.78 1q81 s ALA 77 Cb -0.16 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1q81 s ALA 77 CO 0.01 -1.05 0.51 1.03 0.00 0.00 0.00 175.76 176.27 1q81 s ARG 78 N -3.09 1.68 0.00 0.00 0.52 -0.42 -4.83 118.95 112.82 1q81 s ARG 78 Ca 0.73 -1.35 0.00 0.00 -0.52 0.00 0.00 55.73 54.58 1q81 s ARG 78 Cb -0.31 0.48 0.00 0.00 0.52 0.00 0.00 34.95 35.64 1q81 s ARG 78 CO 0.36 -0.71 0.00 -2.13 0.02 0.00 0.00 175.30 172.84 1q81 n ARG 79 N -0.43 0.00 -1.55 3.54 0.63 -1.23 -4.53 116.66 113.08 1q81 n ARG 79 Ca -0.02 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.51 1q81 n ARG 79 Cb 0.62 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.55 1q81 n ARG 79 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1q81 n VAL 80 N 0.00 2.53 -0.30 5.15 0.24 -1.26 0.46 118.33 125.15 1q81 n VAL 80 Ca 0.00 -0.50 0.14 0.00 -2.04 0.00 0.00 64.34 61.94 1q81 n VAL 80 Cb 0.00 -0.95 0.39 0.00 -1.47 0.00 0.00 33.84 31.81 1q81 n VAL 80 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 1q81 h PRO 81 N 0.94 0.64 -0.11 7.34 0.11 -1.90 -1.66 132.00 137.36 1q81 h PRO 81 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1q81 h PRO 81 Cb 1.37 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1q81 h PRO 81 CO 0.53 0.43 0.00 0.00 -0.21 0.00 0.00 178.00 178.74 1q81 n GLN 82 N -4.61 1.37 -4.32 1.05 0.00 -1.26 -4.80 117.38 104.80 1q81 n GLN 82 Ca 0.20 -0.56 -0.34 0.00 0.00 0.00 0.00 57.00 56.30 1q81 n GLN 82 Cb 0.56 -1.26 -0.11 0.00 0.00 0.00 0.00 30.24 29.43 1q81 n GLN 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1q81 s ALA 83 N -1.85 3.16 0.24 2.61 0.00 -0.62 -5.04 121.76 120.25 1q81 s ALA 83 Ca 0.23 -0.80 -0.31 0.00 0.00 0.00 0.00 51.96 51.07 1q81 s ALA 83 Cb 0.12 -1.60 -0.12 0.00 0.00 0.00 0.00 23.12 21.51 1q81 s ALA 83 CO 0.18 0.31 1.59 0.28 0.00 0.00 0.00 175.76 178.12 1q81 n VAL 84 N 3.13 0.60 -0.82 0.00 0.31 -1.26 0.52 118.33 120.82 1q81 n VAL 84 Ca -0.18 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1q81 n VAL 84 Cb 0.53 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 1q81 n VAL 84 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1q81 n LYS 85 N 2.76 0.00 -2.02 5.55 4.76 -1.26 -4.80 118.16 123.15 1q81 n LYS 85 Ca 0.12 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.28 1q81 n LYS 85 Cb 0.34 -2.25 0.14 0.00 -1.84 0.00 0.00 35.03 31.42 1q81 n LYS 85 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1q81 s GLY 86 N -1.91 1.72 0.84 0.72 0.00 0.18 -4.45 107.32 104.42 1q81 s GLY 86 Ca 0.00 -1.09 -0.11 0.00 0.00 0.00 0.00 44.72 43.52 1q81 s GLY 86 CO 0.00 -0.45 1.09 1.09 0.00 0.00 0.00 173.10 174.83 1q81 s ARG 87 N -5.66 1.75 -0.35 2.90 1.70 0.17 -4.63 118.95 114.84 1q81 s ARG 87 Ca 0.69 0.98 -0.18 0.00 -0.47 0.00 0.00 55.73 56.75 1q81 s ARG 87 Cb -0.07 -1.85 -0.00 0.00 -0.57 0.00 0.00 34.95 32.46 1q81 s ARG 87 CO 0.50 -1.95 0.51 0.45 -1.08 0.00 0.00 175.30 173.74 1q81 s SER 88 N -3.42 6.32 0.00 -2.89 0.15 -1.26 -3.98 113.70 108.62 1q81 s SER 88 Ca 0.62 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 57.27 1q81 s SER 88 Cb -0.17 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 1q81 s SER 88 CO 0.56 -0.47 0.62 0.00 1.20 0.00 0.00 173.24 175.16 1q81 n ALA 89 N 5.73 0.00 -3.89 5.45 0.00 -1.26 -3.86 120.51 122.68 1q81 n ALA 89 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.09 1q81 n ALA 89 Cb 0.49 0.31 -0.14 0.00 0.00 0.00 0.00 19.45 20.11 1q81 n ALA 89 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1q81 s HIS 90 N -2.38 2.86 0.54 0.00 3.76 -1.26 -5.12 115.29 113.70 1q81 s HIS 90 Ca 0.00 -2.65 0.03 0.00 -0.15 0.00 0.00 55.06 52.29 1q81 s HIS 90 Cb 0.00 -2.45 0.05 0.00 1.11 0.00 0.00 32.58 31.29 1q81 s HIS 90 CO 0.00 -0.86 0.75 -1.25 -0.85 0.00 0.00 174.74 172.53 1q81 s PRO 91 N 0.72 2.47 0.56 8.40 0.04 -1.25 -5.08 135.00 140.87 1q81 s PRO 91 Ca 0.13 -1.02 -0.20 0.00 0.04 0.00 0.00 61.00 59.94 1q81 s PRO 91 Cb -0.21 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 31.74 1q81 s PRO 91 CO -0.09 -0.72 1.27 -2.14 0.04 0.00 0.00 177.00 175.37 1q81 s PRO 92 N -4.70 3.09 -0.05 0.56 0.02 -1.26 -4.95 135.00 127.71 1q81 s PRO 92 Ca 0.58 2.01 0.03 0.00 0.02 0.00 0.00 61.00 63.64 1q81 s PRO 92 Cb -0.09 -2.11 0.00 0.00 0.02 0.00 0.00 34.50 32.32 1q81 s PRO 92 CO 0.38 -1.16 -0.13 0.15 -0.33 0.00 0.00 177.00 175.90 1q81 s LYS 93 N -3.08 1.53 0.15 5.54 1.02 -1.24 -3.08 119.74 120.57 1q81 s LYS 93 Ca 0.74 -0.46 -0.17 0.00 0.02 0.00 0.00 55.97 56.10 1q81 s LYS 93 Cb -0.35 -1.32 0.04 0.00 -0.52 0.00 0.00 37.83 35.68 1q81 s LYS 93 CO 0.40 0.13 1.73 1.15 -0.92 0.00 0.00 175.35 177.84 1q81 h THR 94 N 5.54 0.85 -1.17 2.17 2.02 -1.78 -2.78 112.91 117.76 1q81 h THR 94 Ca -0.32 -0.06 0.33 0.00 0.77 0.00 0.00 66.41 67.13 1q81 h THR 94 Cb 1.18 0.66 -0.07 0.00 -1.74 0.00 0.00 68.15 68.18 1q81 h THR 94 CO 0.48 0.03 0.81 -0.33 0.37 0.00 0.00 175.52 176.89 1q81 h GLU 95 N 0.18 0.11 -6.81 6.66 3.07 -1.95 -3.44 114.58 112.40 1q81 h GLU 95 Ca 0.15 -0.01 -0.56 0.00 -0.50 0.00 0.00 59.36 58.44 1q81 h GLU 95 Cb 0.15 -0.02 0.12 0.00 -0.84 0.00 0.00 28.75 28.16 1q81 h GLU 95 CO -0.19 0.07 0.52 1.17 -1.40 0.00 0.00 179.01 179.18 1q81 n LYS 96 N -4.33 2.07 -3.12 2.33 4.81 -1.05 -4.94 118.16 113.93 1q81 n LYS 96 Ca 0.26 0.73 -0.43 0.00 -0.87 0.00 0.00 58.31 58.00 1q81 n LYS 96 Cb 1.17 -2.39 -0.07 0.00 0.02 0.00 0.00 35.03 33.77 1q81 n LYS 96 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1q81 s ASP 97 N -0.42 6.31 -0.13 3.14 3.68 -1.26 -4.91 116.67 123.08 1q81 s ASP 97 Ca 0.58 -0.38 0.17 0.00 2.13 0.00 0.00 52.55 55.05 1q81 s ASP 97 Cb -0.53 -2.31 0.71 0.00 -1.45 0.00 0.00 42.92 39.34 1q81 s ASP 97 CO 0.60 -0.78 1.62 0.54 0.13 0.00 0.00 175.17 177.29 1q81 n ARG 98 N 6.23 3.85 -3.52 4.34 1.74 -1.26 -4.97 116.66 123.08 1q81 n ARG 98 Ca -0.02 -2.90 -0.22 0.00 -0.77 0.00 0.00 57.85 53.94 1q81 n ARG 98 Cb 0.48 -1.93 -0.01 0.00 -1.02 0.00 0.00 32.46 29.98 1q81 n ARG 98 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1q81 s SER 99 N -0.97 6.15 -0.05 0.55 1.04 -1.26 -4.52 113.70 114.64 1q81 s SER 99 Ca 0.50 0.16 0.04 0.00 0.48 0.00 0.00 55.95 57.14 1q81 s SER 99 Cb 0.34 -1.72 -0.00 0.00 0.10 0.00 0.00 66.02 64.74 1q81 s SER 99 CO 0.22 -0.33 -0.18 -0.76 0.98 0.00 0.00 173.24 173.17 1q81 s LEU 100 N -4.22 1.93 0.02 2.42 1.43 -1.26 -5.00 118.68 114.00 1q81 s LEU 100 Ca 0.41 -0.38 -0.16 0.00 -1.03 0.00 0.00 54.13 52.97 1q81 s LEU 100 Cb -0.09 -1.03 -0.06 0.00 0.03 0.00 0.00 46.19 45.03 1q81 s LEU 100 CO 0.33 0.16 0.45 -1.81 0.23 0.00 0.00 176.35 175.71 1q81 s ASP 101 N 0.06 6.87 -0.13 2.29 1.11 -1.26 -4.92 116.67 120.69 1q81 s ASP 101 Ca -0.05 1.04 -0.05 0.00 0.18 0.00 0.00 52.55 53.66 1q81 s ASP 101 Cb -0.12 -2.28 0.06 0.00 1.07 0.00 0.00 42.92 41.65 1q81 s ASP 101 CO 0.03 0.30 0.27 -0.22 1.18 0.00 0.00 175.17 176.73 1q81 s LEU 102 N -1.13 -0.11 0.13 1.23 2.96 -1.26 -5.08 118.68 115.41 1q81 s LEU 102 Ca 0.26 0.60 -0.35 0.00 -0.22 0.00 0.00 54.13 54.42 1q81 s LEU 102 Cb -0.17 0.76 -0.14 0.00 0.50 0.00 0.00 46.19 47.14 1q81 s LEU 102 CO 0.15 -0.22 1.54 0.59 -1.32 0.00 0.00 176.35 177.10 1q81 n ASN 103 N 5.01 2.80 -0.20 3.68 4.13 -1.26 -4.77 115.26 124.64 1q81 n ASN 103 Ca -0.12 1.09 0.01 0.00 1.68 0.00 0.00 54.58 57.23 1q81 n ASN 103 Cb 0.51 -1.37 0.10 0.00 -1.54 0.00 0.00 39.78 37.47 1q81 n ASN 103 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 1q81 h ASP 104 N 5.81 -0.30 0.21 6.41 3.32 -2.00 0.44 116.42 130.31 1q81 h ASP 104 Ca -0.46 0.16 0.01 0.00 0.02 0.00 0.00 57.03 56.76 1q81 h ASP 104 Cb 1.27 0.28 -0.03 0.00 0.22 0.00 0.00 39.33 41.07 1q81 h ASP 104 CO 0.87 -0.12 -0.34 0.11 -1.72 0.00 0.00 179.24 178.04 1q81 h LYS 105 N 0.10 -0.60 -0.93 3.56 1.57 -1.99 0.21 116.57 118.49 1q81 h LYS 105 Ca 0.32 0.04 0.18 0.00 -1.87 0.00 0.00 60.65 59.32 1q81 h LYS 105 Cb 0.52 0.14 -0.08 0.00 0.08 0.00 0.00 32.23 32.88 1q81 h LYS 105 CO -0.54 -0.40 0.60 1.49 -0.57 0.00 0.00 179.45 180.03 1q81 h GLU 106 N -0.62 0.59 -0.01 3.15 4.81 -1.37 0.87 114.58 122.00 1q81 h GLU 106 Ca 0.01 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 1q81 h GLU 106 Cb 0.61 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1q81 h GLU 106 CO -0.14 0.39 -0.23 -0.09 -0.73 0.00 0.00 179.01 178.21 1q81 h ARG 107 N 0.60 0.18 -0.23 1.92 2.43 0.85 -2.93 114.38 117.20 1q81 h ARG 107 Ca 0.49 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.47 1q81 h ARG 107 Cb 0.94 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 1q81 h ARG 107 CO -0.24 0.89 0.05 1.96 -1.51 0.00 0.00 179.97 181.12 1q81 h GLN 108 N -0.46 0.32 -0.59 0.20 4.20 -0.11 -0.44 115.11 118.23 1q81 h GLN 108 Ca -0.03 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 1q81 h GLN 108 Cb 0.96 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.65 1q81 h GLN 108 CO 0.05 0.30 0.13 1.25 -0.67 0.00 0.00 178.83 179.89 1q81 h LEU 109 N 0.32 0.91 -1.71 1.46 5.85 -0.88 -2.33 115.31 118.93 1q81 h LEU 109 Ca 0.08 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 1q81 h LEU 109 Cb 0.13 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1q81 h LEU 109 CO -0.00 0.92 -0.17 0.00 -0.34 0.00 0.00 178.44 178.84 1q81 h ALA 110 N 1.03 1.57 -0.07 1.25 0.00 -0.91 -0.69 119.26 121.44 1q81 h ALA 110 Ca 0.18 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1q81 h ALA 110 Cb 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1q81 h ALA 110 CO 0.00 0.22 -0.22 0.28 0.00 0.00 0.00 179.25 179.53 1q81 h VAL 111 N 0.00 1.43 -0.74 0.00 2.07 -0.84 -1.17 116.25 116.99 1q81 h VAL 111 Ca -0.00 -1.61 -0.03 0.00 0.82 0.00 0.00 66.70 65.88 1q81 h VAL 111 Cb 0.34 2.29 -0.03 0.00 -1.52 0.00 0.00 31.29 32.36 1q81 h VAL 111 CO 0.02 0.46 0.34 0.03 0.02 0.00 0.00 177.57 178.44 1q81 h ARG 112 N -0.23 1.08 -0.21 1.57 3.08 -1.21 0.65 114.38 119.11 1q81 h ARG 112 Ca -0.01 -0.17 -0.09 0.00 0.07 0.00 0.00 59.98 59.78 1q81 h ARG 112 Cb 0.85 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1q81 h ARG 112 CO 0.05 0.85 -0.26 1.03 -1.07 0.00 0.00 179.97 180.57 1q81 h SER 113 N 1.05 0.39 -0.00 7.04 0.87 -1.12 0.14 113.55 121.92 1q81 h SER 113 Ca 0.25 -0.13 -0.15 0.00 -1.23 0.00 0.00 61.79 60.53 1q81 h SER 113 Cb 0.14 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1q81 h SER 113 CO -0.03 0.65 -0.50 0.00 -0.53 0.00 0.00 176.83 176.42 1q81 h ALA 114 N 1.38 0.74 0.37 6.23 0.00 -0.68 -2.18 119.26 125.13 1q81 h ALA 114 Ca 0.05 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1q81 h ALA 114 Cb 0.65 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1q81 h ALA 114 CO 0.05 0.68 -0.23 1.25 0.00 0.00 0.00 179.25 180.99 1q81 h LEU 115 N 0.44 -0.57 -0.58 0.00 5.85 -0.01 -2.75 115.31 117.68 1q81 h LEU 115 Ca 0.02 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.87 1q81 h LEU 115 Cb 1.03 0.17 -0.08 0.00 0.37 0.00 0.00 40.66 42.16 1q81 h LEU 115 CO 0.10 -0.36 0.17 0.00 -0.34 0.00 0.00 178.44 178.00 1q81 h ALA 116 N 0.03 0.71 -0.03 1.25 0.00 -0.65 0.19 119.26 120.76 1q81 h ALA 116 Ca -0.04 0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1q81 h ALA 116 Cb 0.47 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1q81 h ALA 116 CO 0.04 -0.26 0.05 0.00 0.00 0.00 0.00 179.25 179.08 1q81 h ALA 117 N 1.43 1.35 0.00 0.00 0.00 -1.12 -0.85 119.26 120.07 1q81 h ALA 117 Ca 0.30 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1q81 h ALA 117 Cb 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1q81 h ALA 117 CO -0.35 -0.06 -0.16 1.15 0.00 0.00 0.00 179.25 179.84 1q81 h THR 118 N 0.00 0.60 -0.29 0.00 2.02 -0.68 -2.87 112.91 111.69 1q81 h THR 118 Ca 0.01 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.50 1q81 h THR 118 Cb 0.11 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1q81 h THR 118 CO -0.00 0.15 0.00 0.00 0.37 0.00 0.00 175.52 176.04 1q81 n ALA 119 N -2.28 2.46 -3.65 6.16 0.00 -0.33 -3.52 120.51 119.35 1q81 n ALA 119 Ca -0.01 -0.52 -0.39 0.00 0.00 0.00 0.00 53.44 52.52 1q81 n ALA 119 Cb 0.29 -0.98 -0.09 0.00 0.00 0.00 0.00 19.45 18.66 1q81 n ALA 119 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1q81 s ASP 120 N -1.03 5.51 0.56 0.00 -1.08 -1.08 -4.62 116.67 114.92 1q81 s ASP 120 Ca 0.21 -2.38 0.40 0.00 -0.52 0.00 0.00 52.55 50.25 1q81 s ASP 120 Cb 0.11 -1.92 1.57 0.00 -1.46 0.00 0.00 42.92 41.21 1q81 s ASP 120 CO 0.14 -0.52 1.70 0.00 0.52 0.00 0.00 175.17 177.02 1q81 h ALA 121 N 7.73 3.31 0.00 3.66 0.00 -1.85 0.63 119.26 132.74 1q81 h ALA 121 Ca -0.08 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1q81 h ALA 121 Cb 1.02 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1q81 h ALA 121 CO 0.75 -1.76 -0.21 -0.44 0.00 0.00 0.00 179.25 177.59 1q81 h ASP 122 N 0.00 0.18 -0.25 0.00 3.32 -1.96 -2.43 116.42 115.29 1q81 h ASP 122 Ca 0.66 -0.79 0.02 0.00 0.02 0.00 0.00 57.03 56.95 1q81 h ASP 122 Cb 2.74 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 42.21 1q81 h ASP 122 CO -0.01 0.95 0.09 -0.07 -1.72 0.00 0.00 179.24 178.48 1q81 h LEU 123 N -0.56 0.10 -1.87 1.55 3.38 -1.25 0.88 115.31 117.53 1q81 h LEU 123 Ca -0.03 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1q81 h LEU 123 Cb 0.98 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1q81 h LEU 123 CO 0.04 0.09 -0.13 0.58 0.09 0.00 0.00 178.44 179.11 1q81 h VAL 124 N 0.20 0.82 0.02 1.22 2.07 -1.33 0.33 116.25 119.59 1q81 h VAL 124 Ca 0.11 -0.49 -0.23 0.00 0.82 0.00 0.00 66.70 66.92 1q81 h VAL 124 Cb 0.07 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1q81 h VAL 124 CO -0.11 0.13 -1.09 0.00 0.02 0.00 0.00 177.57 176.52 1q81 h ALA 125 N 1.87 0.33 0.04 1.67 0.00 -0.78 -3.05 119.26 119.33 1q81 h ALA 125 Ca -0.00 -0.94 -0.26 0.00 0.00 0.00 0.00 54.91 53.72 1q81 h ALA 125 Cb 0.27 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1q81 h ALA 125 CO 0.02 1.22 -1.06 -0.44 0.00 0.00 0.00 179.25 178.98 1q81 h ASP 126 N 0.01 0.67 -0.15 0.00 3.32 0.57 -3.10 116.42 117.75 1q81 h ASP 126 Ca -0.05 -0.57 0.04 0.00 0.02 0.00 0.00 57.03 56.47 1q81 h ASP 126 Cb 1.82 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 41.16 1q81 h ASP 126 CO 0.14 1.39 0.20 -0.09 -1.72 0.00 0.00 179.24 179.15 1q81 h ARG 127 N 0.26 0.00 0.00 3.56 2.43 -0.49 -3.45 114.38 116.69 1q81 h ARG 127 Ca -0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1q81 h ARG 127 Cb 1.72 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.27 1q81 h ARG 127 CO 0.19 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.06 1q81 n GLY 128 N -1.35 1.35 3.77 2.80 0.00 -1.17 -5.10 105.19 105.49 1q81 n GLY 128 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1q81 n GLY 128 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1q81 s HIS 129 N -1.34 2.68 -0.28 1.61 3.76 -1.15 -5.01 115.29 115.56 1q81 s HIS 129 Ca 0.00 1.16 -0.12 0.00 -0.15 0.00 0.00 55.06 55.95 1q81 s HIS 129 Cb 0.00 -3.97 -0.04 0.00 1.11 0.00 0.00 32.58 29.68 1q81 s HIS 129 CO 0.00 -2.87 0.25 -1.21 -0.85 0.00 0.00 174.74 170.05 1q81 s GLU 130 N -1.84 3.94 -0.18 1.40 0.41 -1.26 -4.67 118.70 116.50 1q81 s GLU 130 Ca 0.53 -0.24 -0.30 0.00 -0.41 0.00 0.00 54.97 54.55 1q81 s GLU 130 Cb -0.45 -3.67 0.14 0.00 -1.78 0.00 0.00 34.13 28.37 1q81 s GLU 130 CO 0.60 -0.23 1.08 -0.59 -0.49 0.00 0.00 175.26 175.63 1q81 s PHE 131 N 1.85 -0.28 -0.67 1.61 -0.12 -1.26 -1.35 117.98 117.76 1q81 s PHE 131 Ca 0.09 0.44 0.05 0.00 -0.05 0.00 0.00 56.93 57.46 1q81 s PHE 131 Cb -0.16 0.47 0.23 0.00 -0.63 0.00 0.00 43.02 42.93 1q81 s PHE 131 CO 0.11 -0.28 0.71 -0.25 -0.05 0.00 0.00 175.22 175.45 1q81 n ASP 132 N 0.55 3.68 -4.15 1.98 8.00 -0.84 -5.04 116.55 120.73 1q81 n ASP 132 Ca -0.07 -3.39 -0.10 0.00 0.71 0.00 0.00 54.79 51.95 1q81 n ASP 132 Cb 0.58 -0.71 -0.10 0.00 -0.02 0.00 0.00 41.12 40.87 1q81 n ASP 132 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1q81 s ARG 133 N -2.23 0.84 -0.10 -1.24 3.52 -1.26 -4.79 118.95 113.68 1q81 s ARG 133 Ca 0.36 -1.37 0.03 0.00 -0.13 0.00 0.00 55.73 54.61 1q81 s ARG 133 Cb 0.10 0.07 -0.08 0.00 -1.56 0.00 0.00 34.95 33.48 1q81 s ARG 133 CO -0.05 -0.15 -0.07 -0.25 -0.81 0.00 0.00 175.30 173.97 1q81 n ASP 134 N -0.05 3.08 -4.87 -2.12 8.00 -1.26 -5.01 116.55 114.32 1q81 n ASP 134 Ca -0.09 -0.05 -0.32 0.00 0.71 0.00 0.00 54.79 55.04 1q81 n ASP 134 Cb 0.62 0.04 -0.05 0.00 -0.02 0.00 0.00 41.12 41.71 1q81 n ASP 134 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1q81 s GLU 135 N -2.22 3.86 -0.27 -1.24 2.02 -1.26 -4.76 118.70 114.84 1q81 s GLU 135 Ca -0.12 0.41 -0.26 0.00 0.02 0.00 0.00 54.97 55.02 1q81 s GLU 135 Cb 0.04 -2.56 0.13 0.00 0.10 0.00 0.00 34.13 31.83 1q81 s GLU 135 CO 0.28 0.24 1.05 0.54 0.02 0.00 0.00 175.26 177.39 1q81 s VAL 136 N -1.91 0.00 0.66 2.63 0.11 -1.26 -4.64 120.40 116.00 1q81 s VAL 136 Ca 0.50 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.40 1q81 s VAL 136 Cb -0.11 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.74 1q81 s VAL 136 CO 0.20 0.00 1.11 -2.16 -3.33 0.00 0.00 175.10 170.93 1q81 s PRO 137 N 0.04 2.77 -0.18 1.54 0.04 -1.23 -4.32 135.00 133.66 1q81 s PRO 137 Ca 0.03 1.39 -0.29 0.00 0.04 0.00 0.00 61.00 62.17 1q81 s PRO 137 Cb -0.04 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.53 1q81 s PRO 137 CO -0.06 -1.27 1.32 0.08 0.04 0.00 0.00 177.00 177.11 1q81 s VAL 138 N -2.34 4.18 -0.11 -0.36 1.01 -0.55 -4.90 120.40 117.32 1q81 s VAL 138 Ca 0.67 1.40 -0.05 0.00 0.00 0.00 0.00 61.98 64.01 1q81 s VAL 138 Cb -0.21 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1q81 s VAL 138 CO 0.42 -0.20 0.06 -0.69 0.00 0.00 0.00 175.10 174.69 1q81 s VAL 139 N 3.78 4.80 0.10 2.92 1.01 -1.26 -0.26 120.40 131.49 1q81 s VAL 139 Ca 0.57 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.53 1q81 s VAL 139 Cb -0.22 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1q81 s VAL 139 CO 0.18 0.58 -0.09 -0.69 0.00 0.00 0.00 175.10 175.09 1q81 s VAL 140 N -0.71 0.86 0.80 2.92 1.01 -0.89 -2.51 120.40 121.89 1q81 s VAL 140 Ca 0.12 -1.80 -0.14 0.00 0.00 0.00 0.00 61.98 60.16 1q81 s VAL 140 Cb -0.12 -1.54 0.07 0.00 0.00 0.00 0.00 36.38 34.80 1q81 s VAL 140 CO 0.02 -0.71 1.16 -1.54 0.00 0.00 0.00 175.10 174.03 1q81 n SER 141 N 0.23 0.91 0.10 3.32 3.41 -0.26 0.14 113.62 121.47 1q81 n SER 141 Ca -0.14 0.60 0.09 0.00 -0.26 0.00 0.00 58.87 59.16 1q81 n SER 141 Cb 0.59 -1.49 0.42 0.00 -0.26 0.00 0.00 64.21 63.47 1q81 n SER 141 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1q81 n ASP 142 N -2.99 0.43 0.00 4.04 9.92 -1.26 -2.29 116.55 124.40 1q81 n ASP 142 Ca 0.13 0.64 0.05 0.00 -0.53 0.00 0.00 54.79 55.09 1q81 n ASP 142 Cb 0.50 -0.72 0.23 0.00 -0.64 0.00 0.00 41.12 40.49 1q81 n ASP 142 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1q81 n ASP 143 N -2.02 0.00 -0.35 -2.24 8.00 -1.26 -2.23 116.55 116.45 1q81 n ASP 143 Ca 0.01 0.46 -0.01 0.00 0.71 0.00 0.00 54.79 55.95 1q81 n ASP 143 Cb 0.13 -0.48 0.12 0.00 -0.02 0.00 0.00 41.12 40.87 1q81 n ASP 143 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1q81 h PHE 144 N 0.00 1.16 0.00 1.24 3.57 -1.81 -2.04 116.94 119.05 1q81 h PHE 144 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1q81 h PHE 144 Cb 0.17 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 38.52 1q81 h PHE 144 CO 0.00 0.69 0.00 0.39 -2.23 0.00 0.00 178.31 177.16 1q81 n GLU 145 N -4.47 0.02 -0.00 1.11 1.02 -0.95 -1.40 120.64 115.97 1q81 n GLU 145 Ca 0.12 0.49 0.10 0.00 -0.02 0.00 0.00 57.16 57.85 1q81 n GLU 145 Cb 0.07 -1.55 -0.14 0.00 -0.02 0.00 0.00 31.44 29.79 1q81 n GLU 145 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1q81 n ASP 146 N -1.59 0.60 -4.44 1.62 8.00 -0.77 -4.95 116.55 115.02 1q81 n ASP 146 Ca 0.00 -0.59 -0.35 0.00 0.71 0.00 0.00 54.79 54.56 1q81 n ASP 146 Cb 0.02 1.41 0.09 0.00 -0.02 0.00 0.00 41.12 42.62 1q81 n ASP 146 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1q81 n LEU 147 N -1.81 0.33 0.00 0.64 4.77 -0.49 -4.90 117.00 115.53 1q81 n LEU 147 Ca 0.01 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1q81 n LEU 147 Cb 0.43 -1.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.31 1q81 n LEU 147 CO 0.44 -3.35 -0.09 0.52 -1.33 0.00 0.00 177.39 173.58 1q81 n VAL 148 N -2.78 0.00 -3.57 4.08 0.31 -1.26 -4.68 118.33 110.43 1q81 n VAL 148 Ca 0.09 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 64.04 1q81 n VAL 148 Cb 0.51 -0.15 -0.06 0.00 -0.91 0.00 0.00 33.84 33.23 1q81 n VAL 148 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1q81 s LYS 149 N -1.07 3.92 0.06 5.55 -0.14 -1.26 -4.53 119.74 122.28 1q81 s LYS 149 Ca 0.00 0.25 -0.27 0.00 -1.36 0.00 0.00 55.97 54.59 1q81 s LYS 149 Cb 0.00 -3.27 -0.17 0.00 -1.68 0.00 0.00 37.83 32.71 1q81 s LYS 149 CO 0.00 0.58 1.58 1.15 -0.76 0.00 0.00 175.35 177.90 1q81 h THR 150 N 4.02 0.75 -1.56 2.17 2.02 -1.91 -2.57 112.91 115.82 1q81 h THR 150 Ca -0.49 -0.18 0.46 0.00 0.77 0.00 0.00 66.41 66.97 1q81 h THR 150 Cb 1.21 0.85 -0.08 0.00 -1.74 0.00 0.00 68.15 68.38 1q81 h THR 150 CO 0.65 0.04 1.10 1.56 0.37 0.00 0.00 175.52 179.23 1q81 h GLN 151 N -0.47 0.04 -0.04 6.66 1.08 -1.94 0.65 115.11 121.09 1q81 h GLN 151 Ca -0.04 -0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 56.97 1q81 h GLN 151 Cb 0.36 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 1q81 h GLN 151 CO 0.06 0.02 -0.79 0.93 -0.95 0.00 0.00 178.83 178.11 1q81 h GLU 152 N 0.04 0.32 -0.02 1.46 5.08 -1.85 -2.75 114.58 116.85 1q81 h GLU 152 Ca 0.79 -0.29 -0.10 0.00 -1.00 0.00 0.00 59.36 58.77 1q81 h GLU 152 Cb 2.97 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 32.27 1q81 h GLU 152 CO -0.11 0.95 -0.44 0.28 -1.00 0.00 0.00 179.01 178.69 1q81 h VAL 153 N 0.20 1.32 0.24 3.13 2.07 0.31 -2.34 116.25 121.18 1q81 h VAL 153 Ca -0.04 -1.52 -0.01 0.00 0.82 0.00 0.00 66.70 65.95 1q81 h VAL 153 Cb 1.38 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1q81 h VAL 153 CO 0.13 0.44 -0.12 0.58 0.02 0.00 0.00 177.57 178.62 1q81 h VAL 154 N 0.05 0.80 -0.46 2.57 2.07 -1.13 0.26 116.25 120.40 1q81 h VAL 154 Ca 0.00 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.33 1q81 h VAL 154 Cb 0.79 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1q81 h VAL 154 CO 0.06 0.05 0.23 0.28 0.02 0.00 0.00 177.57 178.21 1q81 h SER 155 N -0.43 0.33 -0.80 0.57 0.02 -1.39 0.26 113.55 112.11 1q81 h SER 155 Ca -0.03 0.02 0.07 0.00 -0.84 0.00 0.00 61.79 61.01 1q81 h SER 155 Cb 0.33 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.78 1q81 h SER 155 CO 0.05 0.24 0.53 0.25 -1.14 0.00 0.00 176.83 176.76 1q81 h LEU 156 N 0.46 0.77 -0.53 5.07 5.85 -1.14 0.12 115.31 125.91 1q81 h LEU 156 Ca 0.20 0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.76 1q81 h LEU 156 Cb 0.10 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1q81 h LEU 156 CO -0.14 0.49 -0.72 -0.07 -0.34 0.00 0.00 178.44 177.66 1q81 h LEU 157 N 0.87 0.14 -0.47 2.25 3.38 0.13 -2.08 115.31 119.53 1q81 h LEU 157 Ca 0.35 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 58.09 1q81 h LEU 157 Cb 0.24 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1q81 h LEU 157 CO -0.12 0.81 -0.61 -0.33 0.09 0.00 0.00 178.44 178.28 1q81 h GLU 158 N 0.08 0.00 -0.02 1.13 5.08 0.42 -0.99 114.58 120.28 1q81 h GLU 158 Ca -0.02 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.16 1q81 h GLU 158 Cb 1.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1q81 h GLU 158 CO 0.10 0.61 -0.79 0.00 -1.00 0.00 0.00 179.01 177.93 1q81 h ALA 159 N 1.39 0.62 -0.30 3.43 0.00 -0.61 -2.83 119.26 120.96 1q81 h ALA 159 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1q81 h ALA 159 Cb 1.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1q81 h ALA 159 CO 0.08 0.86 0.00 1.28 0.00 0.00 0.00 179.25 181.47 1q81 n LEU 160 N -3.72 1.76 -4.00 0.00 4.77 -0.80 -4.92 117.00 110.09 1q81 n LEU 160 Ca -0.03 -0.86 -0.28 0.00 -0.03 0.00 0.00 56.01 54.81 1q81 n LEU 160 Cb 0.75 -0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.62 1q81 n LEU 160 CO 0.47 0.43 -0.13 0.47 -1.33 0.00 0.00 177.39 177.30 1q81 n ASP 161 N 0.44 -1.67 0.00 -1.43 8.00 -1.06 -4.81 116.55 116.03 1q81 n ASP 161 Ca 0.12 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.66 1q81 n ASP 161 Cb 0.29 -3.17 0.00 0.00 -0.02 0.00 0.00 41.12 38.22 1q81 n ASP 161 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1q81 n VAL 162 N -4.42 0.00 0.34 2.53 0.31 -0.45 -1.99 118.33 114.65 1q81 n VAL 162 Ca -0.17 -0.33 0.21 0.00 -0.01 0.00 0.00 64.34 64.04 1q81 n VAL 162 Cb 0.62 0.93 1.14 0.00 -0.91 0.00 0.00 33.84 35.62 1q81 n VAL 162 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1q81 h HIS 163 N 0.00 0.00 0.00 3.52 6.17 -1.66 -2.05 115.15 121.13 1q81 h HIS 163 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 60.37 61.06 1q81 h HIS 163 Cb 0.00 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 29.93 1q81 h HIS 163 CO 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 177.93 178.55 1q81 h ALA 164 N 1.88 1.19 -0.00 5.26 0.00 -1.85 -2.10 119.26 123.64 1q81 h ALA 164 Ca 0.00 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 1q81 h ALA 164 Cb 0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1q81 h ALA 164 CO 0.00 0.12 -0.64 0.22 0.00 0.00 0.00 179.25 178.94 1q81 h ASP 165 N 0.00 0.01 1.05 0.00 3.58 -0.45 -1.45 116.42 119.15 1q81 h ASP 165 Ca -0.00 -0.01 -0.14 0.00 0.42 0.00 0.00 57.03 57.30 1q81 h ASP 165 Cb 0.34 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.37 1q81 h ASP 165 CO 0.01 0.65 -0.67 0.40 -2.88 0.00 0.00 179.24 176.75 1q81 h ILE 166 N 0.01 1.26 -0.62 2.25 2.04 -1.56 -2.63 117.51 118.26 1q81 h ILE 166 Ca -0.01 -2.49 -0.05 0.00 1.00 0.00 0.00 64.86 63.32 1q81 h ILE 166 Cb 1.14 2.43 -0.03 0.00 -0.74 0.00 0.00 36.82 39.62 1q81 h ILE 166 CO 0.08 0.66 0.20 0.44 0.00 0.00 0.00 178.15 179.53 1q81 h ASP 167 N 0.00 0.87 -0.11 1.72 3.45 -1.00 -1.91 116.42 119.45 1q81 h ASP 167 Ca -0.01 -0.14 -0.00 0.00 0.43 0.00 0.00 57.03 57.31 1q81 h ASP 167 Cb 1.38 -0.23 -0.00 0.00 -0.56 0.00 0.00 39.33 39.91 1q81 h ASP 167 CO 0.09 0.81 0.05 -0.09 -1.57 0.00 0.00 179.24 178.54 1q81 h ARG 168 N 0.91 0.15 -0.19 3.56 2.43 -0.98 -2.66 114.38 117.60 1q81 h ARG 168 Ca 0.21 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1q81 h ARG 168 Cb 0.25 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1q81 h ARG 168 CO -0.01 0.21 0.00 0.00 -1.51 0.00 0.00 179.97 178.66 1q81 n ALA 169 N -2.18 2.51 -1.62 2.80 0.00 -1.02 -4.07 120.51 116.93 1q81 n ALA 169 Ca -0.05 -0.15 -0.35 0.00 0.00 0.00 0.00 53.44 52.88 1q81 n ALA 169 Cb 0.08 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.57 1q81 n ALA 169 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1q81 n ASP 170 N -0.22 7.37 -3.72 0.00 4.64 -0.74 -4.30 116.55 119.57 1q81 n ASP 170 Ca 0.03 -3.69 -0.12 0.00 -1.38 0.00 0.00 54.79 49.64 1q81 n ASP 170 Cb 0.11 -1.07 -0.12 0.00 -1.04 0.00 0.00 41.12 39.00 1q81 n ASP 170 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 1q81 s GLU 171 N -3.53 0.31 0.15 -0.67 2.02 -1.26 -5.04 118.70 110.69 1q81 s GLU 171 Ca 0.55 0.62 0.04 0.00 0.02 0.00 0.00 54.97 56.20 1q81 s GLU 171 Cb 0.44 -0.03 -0.04 0.00 0.10 0.00 0.00 34.13 34.61 1q81 s GLU 171 CO -0.25 -0.14 0.18 0.95 0.02 0.00 0.00 175.26 176.02 1q81 s THR 172 N 1.12 4.75 -0.18 3.63 -4.23 -1.26 -4.51 115.64 114.95 1q81 s THR 172 Ca -0.08 -0.94 -0.01 0.00 -1.18 0.00 0.00 61.69 59.49 1q81 s THR 172 Cb -0.08 -3.42 0.00 0.00 1.34 0.00 0.00 72.50 70.34 1q81 s THR 172 CO -0.09 -0.09 -0.13 -0.75 -0.54 0.00 0.00 174.62 173.02 1q81 s LYS 173 N -3.09 3.22 -0.70 3.99 2.20 0.53 -4.96 119.74 120.92 1q81 s LYS 173 Ca 0.32 -0.73 -0.22 0.00 -0.36 0.00 0.00 55.97 54.98 1q81 s LYS 173 Cb -0.10 -2.72 0.08 0.00 -1.51 0.00 0.00 37.83 33.58 1q81 s LYS 173 CO 0.25 -0.08 0.97 0.42 -0.36 0.00 0.00 175.35 176.55 1q81 s ILE 174 N 1.07 4.42 1.02 5.43 1.01 -1.26 -1.20 121.20 131.70 1q81 s ILE 174 Ca -0.00 -0.61 -0.17 0.00 0.00 0.00 0.00 60.65 59.87 1q81 s ILE 174 Cb -0.15 -4.69 0.00 0.00 0.01 0.00 0.00 42.46 37.64 1q81 s ILE 174 CO -0.04 -1.44 -0.15 0.29 0.00 0.00 0.00 174.94 173.60 1q81 n LYS 175 N 7.43 -0.65 -3.67 2.79 5.02 -0.09 -4.99 118.16 124.00 1q81 n LYS 175 Ca 0.00 -0.17 -0.37 0.00 -2.02 0.00 0.00 58.31 55.75 1q81 n LYS 175 Cb 0.46 -1.57 -0.06 0.00 -0.02 0.00 0.00 35.03 33.84 1q81 n LYS 175 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1q81 s ALA 176 N -2.23 3.75 0.00 7.82 0.00 -1.26 -4.96 121.76 124.88 1q81 s ALA 176 Ca 0.51 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.03 1q81 s ALA 176 Cb -0.14 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 20.77 1q81 s ALA 176 CO 0.69 0.46 0.00 0.41 0.00 0.00 0.00 175.76 177.33 1q81 n GLY 177 N 2.20 1.29 0.00 0.00 0.00 -1.26 -4.74 105.19 102.68 1q81 n GLY 177 Ca -0.16 -2.17 0.14 0.00 0.00 0.00 0.00 46.02 43.83 1q81 n GLY 177 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1q81 n GLN 178 N -0.22 0.72 -0.26 1.61 6.02 -1.26 -3.52 117.38 120.47 1q81 n GLN 178 Ca 0.00 0.01 0.19 0.00 -0.01 0.00 0.00 57.00 57.19 1q81 n GLN 178 Cb 0.00 -1.50 0.50 0.00 1.02 0.00 0.00 30.24 30.26 1q81 n GLN 178 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1q81 h GLY 179 N 4.54 0.96 -0.79 1.08 0.00 -1.88 -0.82 103.07 106.17 1q81 h GLY 179 Ca 0.00 -0.20 0.07 0.00 0.00 0.00 0.00 47.33 47.20 1q81 h GLY 179 CO 0.00 -0.02 -0.47 -1.26 0.00 0.00 0.00 176.54 174.79 1q81 n SER 180 N -4.54 -0.84 0.23 0.19 2.88 -1.23 0.27 113.62 110.59 1q81 n SER 180 Ca 0.20 1.53 0.14 0.00 -1.33 0.00 0.00 58.87 59.41 1q81 n SER 180 Cb 0.72 -0.25 0.72 0.00 -0.75 0.00 0.00 64.21 64.66 1q81 n SER 180 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1q81 h ALA 181 N 0.27 1.11 -0.40 -1.46 0.00 -1.43 -1.79 119.26 115.55 1q81 h ALA 181 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1q81 h ALA 181 Cb 0.32 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1q81 h ALA 181 CO -0.74 -0.11 0.05 0.54 0.00 0.00 0.00 179.25 178.99 1q81 n ARG 182 N -2.51 2.85 -1.84 0.00 1.74 0.14 -4.94 116.66 112.10 1q81 n ARG 182 Ca -0.02 -2.99 -0.02 0.00 -0.77 0.00 0.00 57.85 54.05 1q81 n ARG 182 Cb 0.17 -1.93 -0.00 0.00 -1.02 0.00 0.00 32.46 29.68 1q81 n ARG 182 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q81 n GLY 183 N -0.58 0.34 1.51 -0.13 0.00 -0.67 -4.95 105.19 100.71 1q81 n GLY 183 Ca 0.29 -0.84 -0.02 0.00 0.00 0.00 0.00 46.02 45.45 1q81 n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q81 n ARG 184 N -1.54 1.58 -0.21 1.61 1.74 -0.89 -4.85 116.66 114.10 1q81 n ARG 184 Ca -0.02 -3.15 0.11 0.00 -0.77 0.00 0.00 57.85 54.01 1q81 n ARG 184 Cb 0.43 -1.30 0.40 0.00 -1.02 0.00 0.00 32.46 30.97 1q81 n ARG 184 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1q81 h LYS 185 N 1.51 0.62 -6.12 5.56 3.64 -1.73 -3.37 116.57 116.68 1q81 h LYS 185 Ca -0.01 -0.04 -0.51 0.00 -1.27 0.00 0.00 60.65 58.82 1q81 h LYS 185 Cb 1.41 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 33.05 1q81 h LYS 185 CO 0.21 0.41 -0.39 0.71 -2.27 0.00 0.00 179.45 178.13 1q81 s TYR 186 N -5.61 2.62 -0.29 1.91 1.51 -1.26 -0.91 117.35 115.32 1q81 s TYR 186 Ca -0.09 -0.53 -0.24 0.00 -1.01 0.00 0.00 57.07 55.20 1q81 s TYR 186 Cb 0.21 -2.12 0.15 0.00 -0.11 0.00 0.00 41.96 40.08 1q81 s TYR 186 CO 0.78 -0.10 1.17 -0.98 -1.11 0.00 0.00 175.55 175.30 1q81 s ARG 187 N -4.11 0.34 0.02 -0.62 1.04 -0.34 -4.82 118.95 110.46 1q81 s ARG 187 Ca 0.46 0.42 0.00 0.00 -1.04 0.00 0.00 55.73 55.58 1q81 s ARG 187 Cb -0.02 0.16 -0.02 0.00 -2.04 0.00 0.00 34.95 33.03 1q81 s ARG 187 CO 0.27 -0.04 -0.04 -0.98 -0.04 0.00 0.00 175.30 174.47 1q81 s ARG 188 N 0.26 0.32 0.47 3.89 1.70 -1.26 -0.35 118.95 123.98 1q81 s ARG 188 Ca 0.03 -0.56 -0.23 0.00 -0.47 0.00 0.00 55.73 54.51 1q81 s ARG 188 Cb -0.05 0.02 -0.09 0.00 -0.57 0.00 0.00 34.95 34.26 1q81 s ARG 188 CO -0.10 -0.02 1.08 -2.30 -1.08 0.00 0.00 175.30 172.88 1q81 n PRO 189 N 1.77 1.40 -2.94 3.89 -0.02 -1.26 -4.94 135.00 132.89 1q81 n PRO 189 Ca -0.22 0.51 -0.41 0.00 -2.02 0.00 0.00 63.50 61.35 1q81 n PRO 189 Cb 0.56 -2.19 -0.04 0.00 -0.02 0.00 0.00 33.50 31.80 1q81 n PRO 189 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q81 s ALA 190 N -1.32 3.51 0.00 3.55 0.00 -1.26 -4.60 121.76 121.64 1q81 s ALA 190 Ca 0.66 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.60 1q81 s ALA 190 Cb -0.50 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1q81 s ALA 190 CO 0.54 -0.60 0.00 -1.13 0.00 0.00 0.00 175.76 174.57 1q81 n SER 191 N 5.12 0.00 -4.76 0.00 3.41 0.91 -4.97 113.62 113.33 1q81 n SER 191 Ca 0.03 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.25 1q81 n SER 191 Cb 0.49 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.38 1q81 n SER 191 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1q81 s ILE 192 N 2.85 3.97 -0.24 -1.33 1.01 -1.26 -4.58 121.20 121.62 1q81 s ILE 192 Ca 0.00 1.82 -0.07 0.00 0.00 0.00 0.00 60.65 62.40 1q81 s ILE 192 Cb 0.00 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 1q81 s ILE 192 CO 0.00 0.31 0.08 -0.22 0.00 0.00 0.00 174.94 175.11 1q81 s LEU 193 N -1.64 3.54 -0.34 2.97 2.96 -0.76 -2.06 118.68 123.35 1q81 s LEU 193 Ca 0.46 -0.14 -0.12 0.00 -0.22 0.00 0.00 54.13 54.10 1q81 s LEU 193 Cb -0.24 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 1q81 s LEU 193 CO 0.31 0.00 0.23 -0.36 -1.32 0.00 0.00 176.35 175.21 1q81 s PHE 194 N 1.39 3.22 -0.34 5.38 0.40 -0.54 -1.10 117.98 126.40 1q81 s PHE 194 Ca 0.05 -0.25 -0.06 0.00 -0.60 0.00 0.00 56.93 56.07 1q81 s PHE 194 Cb -0.15 -2.46 0.04 0.00 0.51 0.00 0.00 43.02 40.96 1q81 s PHE 194 CO 0.04 -0.37 0.11 0.08 0.70 0.00 0.00 175.22 175.78 1q81 s VAL 195 N 1.71 3.79 0.00 -0.44 1.01 -0.42 -0.69 120.40 125.36 1q81 s VAL 195 Ca 0.06 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 60.89 1q81 s VAL 195 Cb -0.17 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1q81 s VAL 195 CO 0.10 -0.19 0.00 0.35 0.00 0.00 0.00 175.10 175.36 1q81 n THR 196 N 4.81 0.00 0.00 3.92 -2.24 -0.54 -2.12 114.28 118.11 1q81 n THR 196 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1q81 n THR 196 Cb 0.44 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 1q81 n THR 196 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1q81 n SER 197 N 0.00 2.60 -0.01 3.42 2.88 -1.26 -1.29 113.62 119.96 1q81 n SER 197 Ca 0.00 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.33 1q81 n SER 197 Cb 0.00 0.03 -0.14 0.00 -0.75 0.00 0.00 64.21 63.35 1q81 n SER 197 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1q81 n ASP 198 N -2.08 2.11 -3.45 -3.46 8.00 -1.26 -4.65 116.55 111.76 1q81 n ASP 198 Ca 0.00 0.17 -0.12 0.00 0.71 0.00 0.00 54.79 55.55 1q81 n ASP 198 Cb 0.32 -0.82 -0.02 0.00 -0.02 0.00 0.00 41.12 40.58 1q81 n ASP 198 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1q81 s GLU 199 N -2.55 1.27 -0.00 -1.24 2.02 -1.26 -5.12 118.70 111.82 1q81 s GLU 199 Ca -0.24 -0.50 -0.30 0.00 0.02 0.00 0.00 54.97 53.95 1q81 s GLU 199 Cb 0.07 0.58 -0.05 0.00 0.10 0.00 0.00 34.13 34.83 1q81 s GLU 199 CO 0.75 -0.55 1.35 -2.14 0.02 0.00 0.00 175.26 174.69 1q81 s PRO 200 N -3.76 4.31 -0.80 0.39 0.02 -1.26 -4.68 135.00 129.21 1q81 s PRO 200 Ca 0.01 1.90 -0.34 0.00 0.02 0.00 0.00 61.00 62.60 1q81 s PRO 200 Cb -0.01 -3.54 -0.19 0.00 0.02 0.00 0.00 34.50 30.78 1q81 s PRO 200 CO -0.12 -0.52 2.52 0.45 -0.33 0.00 0.00 177.00 178.99 1q81 n SER 201 N 5.18 0.66 0.25 2.53 2.88 -1.26 -4.77 113.62 119.10 1q81 n SER 201 Ca 0.12 0.26 0.16 0.00 -1.33 0.00 0.00 58.87 58.08 1q81 n SER 201 Cb 0.44 -0.99 0.58 0.00 -0.75 0.00 0.00 64.21 63.50 1q81 n SER 201 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1q81 h THR 202 N 7.69 0.00 0.02 2.46 2.02 -1.91 -1.84 112.91 121.36 1q81 h THR 202 Ca -0.09 -0.57 -0.24 0.00 0.77 0.00 0.00 66.41 66.28 1q81 h THR 202 Cb 1.33 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 69.27 1q81 h THR 202 CO 1.28 0.00 -1.18 0.00 0.37 0.00 0.00 175.52 175.99 1q81 h ALA 203 N 2.03 0.39 0.09 6.16 0.00 -1.83 -3.39 119.26 122.71 1q81 h ALA 203 Ca 0.00 -1.01 -0.36 0.00 0.00 0.00 0.00 54.91 53.53 1q81 h ALA 203 Cb 0.59 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1q81 h ALA 203 CO 0.00 1.27 -2.05 0.00 0.00 0.00 0.00 179.25 178.47 1q81 n ALA 204 N -2.42 0.99 -0.24 0.00 0.00 -1.12 -3.74 120.51 113.97 1q81 n ALA 204 Ca -0.05 -0.69 0.02 0.00 0.00 0.00 0.00 53.44 52.71 1q81 n ALA 204 Cb 0.97 -0.54 0.06 0.00 0.00 0.00 0.00 19.45 19.95 1q81 n ALA 204 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1q81 n ARG 205 N -3.54 -0.11 0.00 0.00 1.85 -0.71 0.77 116.66 114.93 1q81 n ARG 205 Ca -0.35 1.02 0.05 0.00 -1.00 0.00 0.00 57.85 57.57 1q81 n ARG 205 Cb 1.00 -1.52 0.27 0.00 -1.05 0.00 0.00 32.46 31.17 1q81 n ARG 205 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1q81 n ASN 206 N -5.02 0.00 -4.75 2.89 5.15 -1.26 -4.51 115.26 107.76 1q81 n ASN 206 Ca 0.09 0.14 -0.40 0.00 -0.60 0.00 0.00 54.58 53.80 1q81 n ASN 206 Cb 0.30 -0.29 0.02 0.00 -0.53 0.00 0.00 39.78 39.27 1q81 n ASN 206 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1q81 n LEU 207 N -1.29 4.87 -4.52 1.20 4.77 0.23 -4.76 117.00 117.50 1q81 n LEU 207 Ca 0.05 1.12 -0.33 0.00 -0.03 0.00 0.00 56.01 56.82 1q81 n LEU 207 Cb 0.09 -1.58 -0.13 0.00 -2.33 0.00 0.00 43.42 39.46 1q81 n LEU 207 CO 0.08 -0.27 2.04 0.00 -1.33 0.00 0.00 177.39 177.92 1q81 n ALA 208 N -0.21 0.59 -1.03 -1.18 0.00 -1.26 -0.53 120.51 116.89 1q81 n ALA 208 Ca 0.05 -0.67 -0.01 0.00 0.00 0.00 0.00 53.44 52.82 1q81 n ALA 208 Cb 0.41 -2.62 -0.00 0.00 0.00 0.00 0.00 19.45 17.23 1q81 n ALA 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q81 n GLY 209 N 6.21 0.49 3.88 0.00 0.00 -1.26 -4.54 105.19 109.96 1q81 n GLY 209 Ca 0.58 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1q81 n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q81 s ALA 210 N -2.00 3.57 -0.01 4.61 0.00 0.31 -0.07 121.76 128.17 1q81 s ALA 210 Ca 0.00 -0.30 0.05 0.00 0.00 0.00 0.00 51.96 51.71 1q81 s ALA 210 Cb 0.00 -2.42 -0.01 0.00 0.00 0.00 0.00 23.12 20.68 1q81 s ALA 210 CO 0.00 0.48 -0.16 -0.51 0.00 0.00 0.00 175.76 175.56 1q81 s ASP 211 N -2.45 1.92 -0.01 0.00 1.01 -0.87 -4.79 116.67 111.48 1q81 s ASP 211 Ca 0.47 -0.30 0.02 0.00 0.71 0.00 0.00 52.55 53.45 1q81 s ASP 211 Cb -0.11 -0.21 -0.03 0.00 1.01 0.00 0.00 42.92 43.57 1q81 s ASP 211 CO 0.22 0.20 -0.04 0.68 0.21 0.00 0.00 175.17 176.45 1q81 s VAL 212 N -0.39 3.90 0.19 -1.27 -7.23 -1.26 -1.47 120.40 112.87 1q81 s VAL 212 Ca 0.06 -0.63 -0.06 0.00 -1.81 0.00 0.00 61.98 59.54 1q81 s VAL 212 Cb -0.06 -2.70 -0.02 0.00 0.56 0.00 0.00 36.38 34.16 1q81 s VAL 212 CO -0.01 0.43 0.24 0.00 -0.31 0.00 0.00 175.10 175.45 1q81 s ALA 213 N -1.00 0.52 0.01 1.32 0.00 0.14 -4.94 121.76 117.80 1q81 s ALA 213 Ca 0.17 -1.28 0.04 0.00 0.00 0.00 0.00 51.96 50.89 1q81 s ALA 213 Cb -0.11 1.11 -0.03 0.00 0.00 0.00 0.00 23.12 24.08 1q81 s ALA 213 CO 0.07 -0.65 -0.10 0.99 0.00 0.00 0.00 175.76 176.07 1q81 s THR 214 N -4.06 3.37 0.31 0.00 2.01 -1.26 -1.47 115.64 114.54 1q81 s THR 214 Ca 0.28 -0.88 0.06 0.00 0.31 0.00 0.00 61.69 61.46 1q81 s THR 214 Cb 0.04 -2.44 0.30 0.00 0.01 0.00 0.00 72.50 70.41 1q81 s THR 214 CO 0.07 0.40 1.80 0.00 -0.69 0.00 0.00 174.62 176.20 1q81 h ALA 215 N 4.60 1.69 0.00 7.40 0.00 -1.46 -0.63 119.26 130.87 1q81 h ALA 215 Ca -0.48 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 1q81 h ALA 215 Cb 1.16 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1q81 h ALA 215 CO 0.52 -0.02 -0.14 0.66 0.00 0.00 0.00 179.25 180.27 1q81 h SER 216 N 0.79 0.00 0.00 0.00 4.64 -1.88 -3.36 113.55 113.74 1q81 h SER 216 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 1q81 h SER 216 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1q81 h SER 216 CO -0.33 0.14 0.00 -1.84 -0.87 0.00 0.00 176.83 173.93 1q81 n GLU 217 N -3.19 1.03 -1.73 4.77 0.28 -1.01 -5.05 120.64 115.73 1q81 n GLU 217 Ca 0.02 -0.82 -0.42 0.00 -0.16 0.00 0.00 57.16 55.78 1q81 n GLU 217 Cb 0.48 -0.72 -0.02 0.00 1.43 0.00 0.00 31.44 32.61 1q81 n GLU 217 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 1q81 n VAL 218 N -0.18 0.86 -3.73 3.84 3.14 -0.27 -4.91 118.33 117.08 1q81 n VAL 218 Ca 0.00 -0.22 -0.10 0.00 -2.96 0.00 0.00 64.34 61.06 1q81 n VAL 218 Cb 0.35 -1.92 -0.00 0.00 -1.06 0.00 0.00 33.84 31.20 1q81 n VAL 218 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1q81 n ASN 219 N 2.43 1.77 0.29 6.55 0.23 -1.26 -5.01 115.26 120.26 1q81 n ASN 219 Ca 0.10 -1.73 0.17 0.00 -0.53 0.00 0.00 54.58 52.59 1q81 n ASN 219 Cb 0.36 0.01 0.87 0.00 -2.08 0.00 0.00 39.78 38.94 1q81 n ASN 219 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1q81 h THR 220 N 0.63 0.23 0.05 5.53 2.02 -1.92 -1.98 112.91 117.48 1q81 h THR 220 Ca -0.13 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 1q81 h THR 220 Cb 0.48 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1q81 h THR 220 CO 0.21 0.05 -0.02 -0.33 0.37 0.00 0.00 175.52 175.80 1q81 h GLU 221 N 0.00 -0.07 -0.11 6.66 5.08 -1.92 -0.71 114.58 123.52 1q81 h GLU 221 Ca -0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1q81 h GLU 221 Cb 0.28 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1q81 h GLU 221 CO 0.01 0.55 -0.30 0.38 -1.00 0.00 0.00 179.01 178.65 1q81 h ASP 222 N -0.87 0.21 0.78 1.42 3.04 -1.96 0.62 116.42 119.66 1q81 h ASP 222 Ca -0.01 -0.07 -0.14 0.00 -3.24 0.00 0.00 57.03 53.58 1q81 h ASP 222 Cb 0.65 -0.06 -0.02 0.00 -1.04 0.00 0.00 39.33 38.86 1q81 h ASP 222 CO 0.01 0.51 -0.65 -0.07 -2.04 0.00 0.00 179.24 176.99 1q81 h LEU 223 N 0.18 0.00 -5.34 0.15 4.07 -1.44 -3.39 115.31 109.54 1q81 h LEU 223 Ca 0.03 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.65 1q81 h LEU 223 Cb 0.63 0.00 -0.23 0.00 1.08 0.00 0.00 40.66 42.14 1q81 h LEU 223 CO 0.05 0.65 -0.70 0.00 -1.08 0.00 0.00 178.44 177.36 1q81 n ALA 224 N -2.38 -0.03 -1.59 1.53 0.00 -0.27 -3.86 120.51 113.92 1q81 n ALA 224 Ca -0.01 -2.10 -0.50 0.00 0.00 0.00 0.00 53.44 50.84 1q81 n ALA 224 Cb 0.67 -1.14 -0.05 0.00 0.00 0.00 0.00 19.45 18.94 1q81 n ALA 224 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1q81 n PRO 225 N 1.22 1.25 -0.95 0.00 -0.04 0.21 -0.19 135.00 136.50 1q81 n PRO 225 Ca 0.13 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 64.04 1q81 n PRO 225 Cb 0.62 -2.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 1q81 n PRO 225 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q81 n GLY 226 N 2.30 0.63 1.92 0.55 0.00 -1.26 -2.64 105.19 106.69 1q81 n GLY 226 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1q81 n GLY 226 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q81 n GLY 227 N -2.12 0.82 3.68 -0.02 0.00 0.73 -5.00 105.19 103.27 1q81 n GLY 227 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1q81 n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q81 s ALA 228 N -3.24 3.46 0.55 4.61 0.00 -1.08 -4.15 121.76 121.90 1q81 s ALA 228 Ca 0.00 0.10 -0.06 0.00 0.00 0.00 0.00 51.96 51.99 1q81 s ALA 228 Cb 0.00 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 1q81 s ALA 228 CO 0.00 -0.52 0.87 -2.14 0.00 0.00 0.00 175.76 173.96 1q81 s PRO 229 N 1.83 3.29 0.00 0.00 0.02 -1.26 -3.94 135.00 134.94 1q81 s PRO 229 Ca 0.39 0.19 0.00 0.00 0.02 0.00 0.00 61.00 61.61 1q81 s PRO 229 Cb -0.17 -2.29 0.00 0.00 0.02 0.00 0.00 34.50 32.06 1q81 s PRO 229 CO 0.15 -0.46 0.00 0.41 -0.33 0.00 0.00 177.00 176.76 1q81 n GLY 230 N -2.47 0.81 3.80 0.52 0.00 -1.26 -4.65 105.19 101.94 1q81 n GLY 230 Ca 0.03 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 1q81 n GLY 230 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1q81 s ARG 231 N -2.16 4.05 -0.36 1.61 3.52 -1.25 -4.06 118.95 120.30 1q81 s ARG 231 Ca 0.00 0.38 -0.27 0.00 -0.13 0.00 0.00 55.73 55.71 1q81 s ARG 231 Cb 0.00 -3.29 -0.05 0.00 -1.56 0.00 0.00 34.95 30.05 1q81 s ARG 231 CO 0.00 0.52 2.18 -1.17 -0.81 0.00 0.00 175.30 176.03 1q81 s LEU 232 N -0.52 3.42 0.18 -0.88 2.96 -1.26 -4.75 118.68 117.83 1q81 s LEU 232 Ca 0.23 1.39 0.08 0.00 -0.22 0.00 0.00 54.13 55.62 1q81 s LEU 232 Cb -0.16 -3.09 -0.04 0.00 0.50 0.00 0.00 46.19 43.40 1q81 s LEU 232 CO 0.12 -2.27 -0.07 -0.89 -1.32 0.00 0.00 176.35 171.92 1q81 s THR 233 N 9.46 3.35 -0.21 3.68 2.01 -1.26 -1.83 115.64 130.84 1q81 s THR 233 Ca 0.93 -1.59 -0.02 0.00 0.31 0.00 0.00 61.69 61.32 1q81 s THR 233 Cb -0.24 -2.67 0.07 0.00 0.01 0.00 0.00 72.50 69.66 1q81 s THR 233 CO 0.31 -0.11 0.04 0.54 -0.69 0.00 0.00 174.62 174.70 1q81 s VAL 234 N -1.72 0.66 0.77 3.82 0.11 -0.26 -1.47 120.40 122.31 1q81 s VAL 234 Ca 0.26 -0.74 -0.02 0.00 -2.93 0.00 0.00 61.98 58.55 1q81 s VAL 234 Cb -0.09 -1.19 0.15 0.00 -1.53 0.00 0.00 36.38 33.73 1q81 s VAL 234 CO 0.16 -0.27 1.06 -0.36 -3.33 0.00 0.00 175.10 172.37 1q81 s PHE 235 N 1.79 1.30 0.10 1.54 0.40 0.64 -1.30 117.98 122.44 1q81 s PHE 235 Ca 0.00 -0.30 0.07 0.00 -0.60 0.00 0.00 56.93 56.10 1q81 s PHE 235 Cb -0.17 -3.13 -0.04 0.00 0.51 0.00 0.00 43.02 40.19 1q81 s PHE 235 CO -0.11 -1.96 -0.12 -0.08 0.70 0.00 0.00 175.22 173.65 1q81 s THR 236 N -3.27 3.23 0.27 0.64 -1.32 -0.90 -2.09 115.64 112.20 1q81 s THR 236 Ca 0.69 -1.29 -0.09 0.00 -1.21 0.00 0.00 61.69 59.78 1q81 s THR 236 Cb -0.04 -2.49 0.41 0.00 -1.51 0.00 0.00 72.50 68.87 1q81 s THR 236 CO 0.46 0.14 1.52 1.21 -2.21 0.00 0.00 174.62 175.74 1q81 n GLU 237 N 0.82 -0.11 -0.01 7.08 4.07 0.38 -0.48 120.64 132.38 1q81 n GLU 237 Ca -0.14 1.52 -0.18 0.00 -0.06 0.00 0.00 57.16 58.30 1q81 n GLU 237 Cb 0.52 -2.27 -0.08 0.00 -0.06 0.00 0.00 31.44 29.55 1q81 n GLU 237 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 1q81 h SER 238 N 0.00 0.93 0.26 4.31 0.02 -1.94 -3.21 113.55 113.92 1q81 h SER 238 Ca 0.45 -0.66 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1q81 h SER 238 Cb 0.69 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 1q81 h SER 238 CO -1.00 1.44 -0.47 0.00 -1.14 0.00 0.00 176.83 175.66 1q81 h ALA 239 N 0.51 -1.03 -1.42 3.77 0.00 -1.12 -1.23 119.26 118.74 1q81 h ALA 239 Ca -0.07 -0.13 0.44 0.00 0.00 0.00 0.00 54.91 55.14 1q81 h ALA 239 Cb 1.47 0.79 -0.10 0.00 0.00 0.00 0.00 17.79 19.95 1q81 h ALA 239 CO 0.17 -1.11 0.95 1.25 0.00 0.00 0.00 179.25 180.52 1q81 h LEU 240 N -0.78 0.18 -0.03 0.00 6.46 -0.86 0.84 115.31 121.12 1q81 h LEU 240 Ca -0.03 0.09 -0.22 0.00 -0.12 0.00 0.00 57.88 57.60 1q81 h LEU 240 Cb 0.73 0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.72 1q81 h LEU 240 CO -0.17 -0.10 -1.03 0.00 -0.62 0.00 0.00 178.44 176.52 1q81 h ALA 241 N 1.45 0.33 -0.05 1.25 0.00 -1.27 -3.27 119.26 117.72 1q81 h ALA 241 Ca 0.79 -0.87 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1q81 h ALA 241 Cb 2.69 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 20.37 1q81 h ALA 241 CO -0.27 1.14 -0.30 0.93 0.00 0.00 0.00 179.25 180.75 1q81 h GLU 242 N 0.03 0.29 -0.75 0.00 5.08 0.16 -3.27 114.58 116.11 1q81 h GLU 242 Ca -0.04 -0.25 0.15 0.00 -1.00 0.00 0.00 59.36 58.22 1q81 h GLU 242 Cb 1.76 0.05 -0.14 0.00 0.50 0.00 0.00 28.75 30.92 1q81 h GLU 242 CO 0.14 0.90 -0.19 0.28 -1.00 0.00 0.00 179.01 179.15 1q81 h VAL 243 N -0.24 0.25 -1.27 3.13 2.07 -1.13 -2.01 116.25 117.05 1q81 h VAL 243 Ca -0.02 0.00 0.46 0.00 0.82 0.00 0.00 66.70 67.96 1q81 h VAL 243 Cb 0.97 0.25 -0.15 0.00 -1.52 0.00 0.00 31.29 30.83 1q81 h VAL 243 CO 0.06 0.00 0.78 0.00 0.02 0.00 0.00 177.57 178.43 1q81 n ALA 244 N -3.25 1.27 1.42 1.67 0.00 -1.23 0.29 120.51 120.68 1q81 n ALA 244 Ca 0.10 0.92 0.14 0.00 0.00 0.00 0.00 53.44 54.60 1q81 n ALA 244 Cb 0.38 -1.05 0.57 0.00 0.00 0.00 0.00 19.45 19.35 1q81 n ALA 244 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1q81 n GLU 245 N -4.90 0.86 0.00 0.00 1.02 -0.76 -4.70 120.64 112.17 1q81 n GLU 245 Ca 0.40 -0.37 0.12 0.00 -0.02 0.00 0.00 57.16 57.29 1q81 n GLU 245 Cb 1.49 -1.49 0.72 0.00 -0.02 0.00 0.00 31.44 32.14 1q81 n GLU 245 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85