#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q81 n SER 2 N 0.00 0.73 -3.67 2.55 3.41 -1.26 -4.86 113.62 110.52 1q81 n SER 2 Ca 0.00 0.50 -0.11 0.00 -0.26 0.00 0.00 58.87 59.00 1q81 n SER 2 Cb 0.00 -0.63 -0.05 0.00 -0.26 0.00 0.00 64.21 63.26 1q81 n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1q81 s SER 3 N -4.35 -0.19 -0.28 4.04 1.04 -1.26 -5.09 113.70 107.61 1q81 s SER 3 Ca 0.10 -0.31 0.08 0.00 0.48 0.00 0.00 55.95 56.31 1q81 s SER 3 Cb 0.13 0.44 0.46 0.00 0.10 0.00 0.00 66.02 67.15 1q81 s SER 3 CO 0.61 -0.80 1.19 -3.20 0.98 0.00 0.00 173.24 172.02 1q81 n ASN 4 N -0.05 4.48 -4.84 7.02 5.15 -1.26 -4.93 115.26 120.83 1q81 n ASN 4 Ca -0.16 -3.62 -0.29 0.00 -0.60 0.00 0.00 54.58 49.90 1q81 n ASN 4 Cb 0.63 -0.36 0.10 0.00 -0.53 0.00 0.00 39.78 39.61 1q81 n ASN 4 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1q81 s GLY 5 N -3.59 1.60 0.34 8.20 0.00 -1.26 -4.95 107.32 107.66 1q81 s GLY 5 Ca 0.48 -0.44 0.01 0.00 0.00 0.00 0.00 44.72 44.77 1q81 s GLY 5 CO 0.03 0.03 1.99 -2.55 0.00 0.00 0.00 173.10 172.59 1q81 h PRO 6 N -1.12 0.87 -0.67 2.90 0.11 -2.05 -2.36 132.00 129.68 1q81 h PRO 6 Ca -0.47 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1q81 h PRO 6 Cb 1.30 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1q81 h PRO 6 CO 0.63 0.60 0.00 1.28 -0.21 0.00 0.00 178.00 180.29 1q81 n LEU 7 N -4.42 2.54 -4.73 2.35 4.77 -1.26 -4.69 117.00 111.57 1q81 n LEU 7 Ca 0.07 -1.28 -0.42 0.00 -0.03 0.00 0.00 56.01 54.34 1q81 n LEU 7 Cb 0.05 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.65 1q81 n LEU 7 CO 0.36 0.40 1.21 -0.70 -1.33 0.00 0.00 177.39 177.34 1q81 s GLU 8 N -1.68 4.21 -1.54 3.23 -6.30 -0.89 -2.63 118.70 113.10 1q81 s GLU 8 Ca 0.22 2.38 -0.05 0.00 -2.50 0.00 0.00 54.97 55.01 1q81 s GLU 8 Cb 0.15 -3.13 0.01 0.00 0.00 0.00 0.00 34.13 31.16 1q81 s GLU 8 CO 0.09 -0.58 0.68 0.41 0.02 0.00 0.00 175.26 175.88 1q81 n GLY 9 N 3.37 -0.53 0.23 -1.50 0.00 -1.26 -4.90 105.19 100.61 1q81 n GLY 9 Ca 0.12 0.15 0.04 0.00 0.00 0.00 0.00 46.02 46.33 1q81 n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1q81 n THR 10 N -4.58 1.23 -0.24 2.61 -2.24 -1.08 -4.73 114.28 105.25 1q81 n THR 10 Ca -0.10 -1.26 0.05 0.00 -2.27 0.00 0.00 64.05 60.47 1q81 n THR 10 Cb 0.61 0.33 0.17 0.00 -2.10 0.00 0.00 70.33 69.35 1q81 n THR 10 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1q81 h ARG 11 N 0.63 0.33 0.40 -0.78 2.43 -1.91 -1.71 114.38 113.77 1q81 h ARG 11 Ca 0.00 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1q81 h ARG 11 Cb 0.70 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1q81 h ARG 11 CO 0.02 0.22 -0.19 0.78 -1.51 0.00 0.00 179.97 179.28 1q81 h GLY 12 N 0.34 -0.56 2.00 2.80 0.00 -1.94 -3.28 103.07 102.43 1q81 h GLY 12 Ca 0.40 0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.91 1q81 h GLY 12 CO -0.45 -0.20 -0.11 0.07 0.00 0.00 0.00 176.54 175.85 1q81 h LYS 13 N -0.99 0.00 -0.55 4.80 2.10 -1.86 -2.98 116.57 117.10 1q81 h LYS 13 Ca -0.05 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.32 1q81 h LYS 13 Cb 0.54 0.00 -0.16 0.00 -0.90 0.00 0.00 32.23 31.71 1q81 h LYS 13 CO 0.09 0.11 0.15 1.28 -2.00 0.00 0.00 179.45 179.08 1q81 n LEU 14 N -3.51 4.96 -4.19 7.07 4.77 -0.66 -4.84 117.00 120.61 1q81 n LEU 14 Ca -0.01 -3.68 -0.24 0.00 -0.03 0.00 0.00 56.01 52.05 1q81 n LEU 14 Cb 0.25 -0.70 -0.14 0.00 -2.33 0.00 0.00 43.42 40.50 1q81 n LEU 14 CO 0.29 1.16 -0.50 -0.75 -1.33 0.00 0.00 177.39 176.26 1q81 s LYS 15 N -3.24 1.28 0.17 3.23 2.20 -1.13 -4.80 119.74 117.45 1q81 s LYS 15 Ca 0.49 -0.78 -0.06 0.00 -0.36 0.00 0.00 55.97 55.26 1q81 s LYS 15 Cb 0.43 -1.31 -0.06 0.00 -1.51 0.00 0.00 37.83 35.38 1q81 s LYS 15 CO 0.04 0.34 0.43 -0.80 -0.36 0.00 0.00 175.35 175.00 1q81 s ASN 16 N -0.88 6.52 0.29 1.43 0.02 -1.26 -4.94 114.94 116.12 1q81 s ASN 16 Ca 0.06 0.68 -0.29 0.00 -1.02 0.00 0.00 52.86 52.28 1q81 s ASN 16 Cb -0.08 -2.13 -0.10 0.00 0.02 0.00 0.00 41.25 38.97 1q81 s ASN 16 CO 0.01 0.01 1.15 -0.54 0.02 0.00 0.00 177.10 177.75 1q81 s LYS 17 N -2.75 4.56 0.29 -0.60 3.01 -1.26 -4.89 119.74 118.10 1q81 s LYS 17 Ca 0.43 1.91 0.09 0.00 -1.01 0.00 0.00 55.97 57.39 1q81 s LYS 17 Cb -0.12 -3.16 0.89 0.00 -1.01 0.00 0.00 37.83 34.43 1q81 s LYS 17 CO 0.24 0.10 1.36 -2.30 0.51 0.00 0.00 175.35 175.26 1q81 n PRO 18 N 1.10 -0.06 0.18 -1.68 -0.02 -1.26 -0.91 135.00 132.36 1q81 n PRO 18 Ca -0.01 1.25 0.05 0.00 -2.02 0.00 0.00 63.50 62.77 1q81 n PRO 18 Cb 0.44 -2.10 0.32 0.00 -0.02 0.00 0.00 33.50 32.15 1q81 n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q81 h ARG 19 N 0.00 0.00 -0.58 -0.52 3.08 -2.05 -2.93 114.38 111.38 1q81 h ARG 19 Ca 0.62 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.67 1q81 h ARG 19 Cb 1.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.52 1q81 h ARG 19 CO -0.75 0.39 0.00 -0.25 -1.07 0.00 0.00 179.97 178.30 1q81 n ASP 20 N -3.56 2.35 -4.80 7.04 8.00 -0.09 -4.93 116.55 120.57 1q81 n ASP 20 Ca -0.00 -2.20 -0.32 0.00 0.71 0.00 0.00 54.79 52.98 1q81 n ASP 20 Cb 0.51 -0.40 0.05 0.00 -0.02 0.00 0.00 41.12 41.27 1q81 n ASP 20 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1q81 s ARG 21 N -1.67 2.81 0.00 -1.24 3.00 -1.11 -4.86 118.95 115.89 1q81 s ARG 21 Ca 0.22 1.11 0.00 0.00 -1.00 0.00 0.00 55.73 56.06 1q81 s ARG 21 Cb 0.14 -1.97 0.00 0.00 0.00 0.00 0.00 34.95 33.12 1q81 s ARG 21 CO 0.10 -1.21 0.00 0.41 0.00 0.00 0.00 175.30 174.60 1q81 n GLY 22 N -1.40 -2.48 1.96 8.12 0.00 -1.26 -4.96 105.19 105.17 1q81 n GLY 22 Ca 0.08 -1.44 -0.31 0.00 0.00 0.00 0.00 46.02 44.35 1q81 n GLY 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1q81 n THR 23 N -1.77 0.40 -2.41 2.61 -1.04 -1.26 -4.91 114.28 105.89 1q81 n THR 23 Ca 0.00 -0.10 -0.27 0.00 -2.04 0.00 0.00 64.05 61.64 1q81 n THR 23 Cb 0.00 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.53 1q81 n THR 23 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1q81 s SER 24 N -0.20 5.80 0.37 8.00 0.01 -1.26 -5.04 113.70 121.38 1q81 s SER 24 Ca 0.46 0.83 -0.28 0.00 1.31 0.00 0.00 55.95 58.27 1q81 s SER 24 Cb -0.65 -1.90 -0.10 0.00 0.21 0.00 0.00 66.02 63.58 1q81 s SER 24 CO 0.32 -0.93 1.35 -2.84 0.41 0.00 0.00 173.24 171.55 1q81 s PRO 25 N -4.95 4.16 0.26 12.44 0.02 -1.26 -4.96 135.00 140.71 1q81 s PRO 25 Ca 0.52 2.29 0.06 0.00 0.02 0.00 0.00 61.00 63.90 1q81 s PRO 25 Cb -0.11 -2.94 0.32 0.00 0.02 0.00 0.00 34.50 31.80 1q81 s PRO 25 CO 0.46 -0.38 1.61 -1.35 -0.33 0.00 0.00 177.00 177.00 1q81 h PRO 26 N 3.04 0.20 -1.41 5.54 0.11 -2.00 -3.31 132.00 134.18 1q81 h PRO 26 Ca -0.50 -0.13 0.45 0.00 0.11 0.00 0.00 66.00 65.94 1q81 h PRO 26 Cb 1.24 0.01 -0.12 0.00 0.11 0.00 0.00 31.00 32.24 1q81 h PRO 26 CO 0.64 0.70 0.93 0.37 -0.21 0.00 0.00 178.00 180.43 1q81 h GLN 27 N 0.15 0.06 -0.00 1.05 5.75 -2.00 0.55 115.11 120.68 1q81 h GLN 27 Ca -0.00 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1q81 h GLN 27 Cb 1.02 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.56 1q81 h GLN 27 CO 0.08 0.04 -0.56 2.89 -2.65 0.00 0.00 178.83 178.63 1q81 n ARG 28 N -4.58 0.31 0.00 1.69 1.85 -1.25 -3.05 116.66 111.63 1q81 n ARG 28 Ca 0.38 -0.21 0.12 0.00 -1.00 0.00 0.00 57.85 57.14 1q81 n ARG 28 Cb 1.52 -1.50 0.24 0.00 -1.05 0.00 0.00 32.46 31.67 1q81 n ARG 28 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1q81 n ALA 29 N -1.16 3.58 0.34 2.89 0.00 0.19 -3.09 120.51 123.26 1q81 n ALA 29 Ca 0.07 -0.36 0.05 0.00 0.00 0.00 0.00 53.44 53.20 1q81 n ALA 29 Cb 0.35 -1.11 -0.06 0.00 0.00 0.00 0.00 19.45 18.63 1q81 n ALA 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1q81 n VAL 30 N -1.48 0.00 -1.44 0.00 0.31 -0.95 -4.26 118.33 110.51 1q81 n VAL 30 Ca 0.06 -0.26 -0.48 0.00 -0.01 0.00 0.00 64.34 63.64 1q81 n VAL 30 Cb 0.34 0.83 -0.03 0.00 -0.91 0.00 0.00 33.84 34.06 1q81 n VAL 30 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1q81 n GLU 31 N -1.37 0.24 -4.35 5.55 4.07 -1.17 -4.95 120.64 118.65 1q81 n GLU 31 Ca 0.01 0.08 -0.34 0.00 -0.06 0.00 0.00 57.16 56.85 1q81 n GLU 31 Cb 0.17 -1.20 -0.11 0.00 -0.06 0.00 0.00 31.44 30.24 1q81 n GLU 31 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1q81 s GLU 32 N -0.97 3.60 0.11 5.31 0.41 -1.26 -4.80 118.70 121.10 1q81 s GLU 32 Ca 0.66 -0.48 0.10 0.00 -0.41 0.00 0.00 54.97 54.84 1q81 s GLU 32 Cb -0.92 -2.93 -0.04 0.00 -1.78 0.00 0.00 34.13 28.46 1q81 s GLU 32 CO 0.56 0.32 -0.22 -0.06 -0.49 0.00 0.00 175.26 175.37 1q81 s PHE 33 N 0.16 2.43 0.01 1.61 0.40 -1.26 -5.14 117.98 116.19 1q81 s PHE 33 Ca -0.00 -0.32 0.01 0.00 -0.60 0.00 0.00 56.93 56.02 1q81 s PHE 33 Cb -0.13 -1.32 -0.04 0.00 0.51 0.00 0.00 43.02 42.04 1q81 s PHE 33 CO 0.02 0.34 0.04 -0.51 0.70 0.00 0.00 175.22 175.81 1q81 s ASP 34 N -1.99 5.34 0.13 1.36 1.01 -1.26 -5.04 116.67 116.21 1q81 s ASP 34 Ca 0.16 0.03 -0.35 0.00 0.71 0.00 0.00 52.55 53.10 1q81 s ASP 34 Cb -0.10 -1.44 -0.16 0.00 1.01 0.00 0.00 42.92 42.23 1q81 s ASP 34 CO 0.07 0.26 1.38 0.47 0.21 0.00 0.00 175.17 177.56 1q81 n ASP 35 N 1.16 2.03 0.00 0.27 9.92 -1.26 -1.13 116.55 127.55 1q81 n ASP 35 Ca -0.13 1.11 0.00 0.00 -0.53 0.00 0.00 54.79 55.24 1q81 n ASP 35 Cb 0.52 -1.27 0.00 0.00 -0.64 0.00 0.00 41.12 39.74 1q81 n ASP 35 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1q81 n GLY 36 N 2.65 1.37 3.73 0.44 0.00 0.27 -4.97 105.19 108.68 1q81 n GLY 36 Ca 0.17 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1q81 n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q81 s GLU 37 N 0.00 4.38 0.07 1.61 2.02 -0.28 -4.65 118.70 121.84 1q81 s GLU 37 Ca 0.00 2.01 -0.30 0.00 0.02 0.00 0.00 54.97 56.70 1q81 s GLU 37 Cb 0.00 -3.24 -0.05 0.00 0.10 0.00 0.00 34.13 30.94 1q81 s GLU 37 CO 0.00 -0.30 1.09 0.15 0.02 0.00 0.00 175.26 176.22 1q81 s LYS 38 N 0.44 4.53 0.04 1.61 -0.14 -1.26 -0.90 119.74 124.06 1q81 s LYS 38 Ca 0.59 1.62 0.03 0.00 -1.36 0.00 0.00 55.97 56.85 1q81 s LYS 38 Cb -0.35 -3.37 -0.02 0.00 -1.68 0.00 0.00 37.83 32.40 1q81 s LYS 38 CO 0.34 -0.08 -0.09 0.14 -0.76 0.00 0.00 175.35 174.90 1q81 s VAL 39 N 0.68 0.70 -0.18 3.17 -7.23 0.13 -1.55 120.40 116.11 1q81 s VAL 39 Ca 0.54 -1.05 -0.11 0.00 -1.81 0.00 0.00 61.98 59.55 1q81 s VAL 39 Cb -0.26 -0.72 -0.05 0.00 0.56 0.00 0.00 36.38 35.91 1q81 s VAL 39 CO 0.30 -0.27 0.17 -1.00 -0.31 0.00 0.00 175.10 173.98 1q81 s HIS 40 N -1.21 3.44 -0.22 2.82 3.76 0.34 -0.28 115.29 123.94 1q81 s HIS 40 Ca -0.06 0.41 -0.17 0.00 -0.15 0.00 0.00 55.06 55.09 1q81 s HIS 40 Cb -0.09 -2.18 -0.03 0.00 1.11 0.00 0.00 32.58 31.39 1q81 s HIS 40 CO 0.01 0.33 0.45 -0.51 -0.85 0.00 0.00 174.74 174.17 1q81 s LEU 41 N 0.23 4.13 -0.27 0.89 1.02 0.77 -2.61 118.68 122.83 1q81 s LEU 41 Ca 0.11 0.55 -0.04 0.00 0.02 0.00 0.00 54.13 54.77 1q81 s LEU 41 Cb -0.12 -2.59 0.15 0.00 0.02 0.00 0.00 46.19 43.66 1q81 s LEU 41 CO -0.00 -0.15 0.53 -0.75 0.02 0.00 0.00 176.35 176.00 1q81 s LYS 42 N 1.64 0.49 0.32 1.70 2.47 -1.07 -0.53 119.74 124.75 1q81 s LYS 42 Ca 0.21 0.97 -0.29 0.00 -1.56 0.00 0.00 55.97 55.29 1q81 s LYS 42 Cb -0.15 0.32 -0.10 0.00 -1.46 0.00 0.00 37.83 36.43 1q81 s LYS 42 CO 0.09 -0.51 1.40 0.42 0.16 0.00 0.00 175.35 176.90 1q81 s ILE 43 N 2.76 2.52 -0.35 5.43 1.01 -1.26 -4.53 121.20 126.77 1q81 s ILE 43 Ca 0.12 0.50 -0.20 0.00 0.00 0.00 0.00 60.65 61.07 1q81 s ILE 43 Cb -0.14 -3.32 -0.00 0.00 0.01 0.00 0.00 42.46 39.01 1q81 s ILE 43 CO -0.18 0.11 0.60 -0.62 0.00 0.00 0.00 174.94 174.84 1q81 s ASP 44 N -0.14 6.40 0.57 3.58 -1.08 -1.26 -4.93 116.67 119.81 1q81 s ASP 44 Ca 0.53 0.11 0.27 0.00 -0.52 0.00 0.00 52.55 52.94 1q81 s ASP 44 Cb -0.42 -2.31 1.54 0.00 -1.46 0.00 0.00 42.92 40.27 1q81 s ASP 44 CO 0.52 -0.55 2.05 -0.65 0.52 0.00 0.00 175.17 177.07 1q81 h PRO 45 N 8.44 0.00 0.03 4.34 0.11 -1.88 -1.05 132.00 141.99 1q81 h PRO 45 Ca -0.27 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.63 1q81 h PRO 45 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1q81 h PRO 45 CO 0.81 0.00 -0.98 0.77 -0.21 0.00 0.00 178.00 178.40 1q81 h SER 46 N 0.00 0.25 -2.59 -2.05 0.02 -1.91 -3.43 113.55 103.83 1q81 h SER 46 Ca 0.14 -0.23 -0.66 0.00 -0.84 0.00 0.00 61.79 60.20 1q81 h SER 46 Cb 0.67 -0.08 -0.16 0.00 0.14 0.00 0.00 62.40 62.97 1q81 h SER 46 CO -0.00 1.08 0.59 -0.69 -1.14 0.00 0.00 176.83 176.67 1q81 s VAL 47 N -3.00 4.51 0.15 2.27 1.01 -0.40 -4.89 120.40 120.05 1q81 s VAL 47 Ca -0.02 -0.84 -0.23 0.00 0.00 0.00 0.00 61.98 60.89 1q81 s VAL 47 Cb 0.09 -4.69 0.03 0.00 0.00 0.00 0.00 36.38 31.80 1q81 s VAL 47 CO 0.84 -1.44 1.63 -0.65 0.00 0.00 0.00 175.10 175.48 1q81 h PRO 48 N 9.28 -0.25 -7.77 2.72 0.11 -1.83 -3.43 132.00 130.83 1q81 h PRO 48 Ca -0.14 0.02 -0.44 0.00 0.11 0.00 0.00 66.00 65.55 1q81 h PRO 48 Cb 1.06 0.06 0.17 0.00 0.11 0.00 0.00 31.00 32.40 1q81 h PRO 48 CO 1.15 -0.17 0.37 -0.80 -0.21 0.00 0.00 178.00 178.34 1q81 s ASN 49 N -5.03 2.57 -1.16 -2.05 0.01 -1.26 -4.35 114.94 103.68 1q81 s ASN 49 Ca -0.15 0.28 0.00 0.00 -0.71 0.00 0.00 52.86 52.28 1q81 s ASN 49 Cb 0.12 -0.31 0.00 0.00 0.41 0.00 0.00 41.25 41.47 1q81 s ASN 49 CO 0.68 -3.07 0.00 0.61 -1.51 0.00 0.00 177.10 173.80 1q81 n GLY 50 N -3.29 0.49 2.50 0.66 0.00 -1.26 -4.91 105.19 99.38 1q81 n GLY 50 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 1q81 n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q81 n ARG 51 N -2.17 -1.62 -4.09 1.61 1.74 -1.26 -2.66 116.66 108.21 1q81 n ARG 51 Ca -0.13 -1.29 -0.11 0.00 -0.77 0.00 0.00 57.85 55.55 1q81 n ARG 51 Cb 0.47 -1.01 -0.07 0.00 -1.02 0.00 0.00 32.46 30.83 1q81 n ARG 51 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1q81 s PHE 52 N -2.67 0.77 0.04 -1.55 -0.12 -1.26 -4.65 117.98 108.54 1q81 s PHE 52 Ca 0.50 -1.06 -0.30 0.00 -0.05 0.00 0.00 56.93 56.02 1q81 s PHE 52 Cb -0.03 -0.14 -0.08 0.00 -0.63 0.00 0.00 43.02 42.15 1q81 s PHE 52 CO 0.36 -0.88 1.65 -1.58 -0.05 0.00 0.00 175.22 174.72 1q81 s HIS 53 N -3.93 2.33 0.40 3.49 5.65 -1.26 -4.84 115.29 117.13 1q81 s HIS 53 Ca 0.30 0.30 0.30 0.00 0.25 0.00 0.00 55.06 56.21 1q81 s HIS 53 Cb 0.02 -3.95 1.35 0.00 -1.18 0.00 0.00 32.58 28.83 1q81 s HIS 53 CO 0.12 -3.84 1.40 -2.30 -0.65 0.00 0.00 174.74 169.47 1q81 n PRO 54 N 5.90 -0.03 0.31 2.88 -0.02 -1.26 -0.17 135.00 142.61 1q81 n PRO 54 Ca 0.16 1.11 0.19 0.00 -2.02 0.00 0.00 63.50 62.94 1q81 n PRO 54 Cb 0.41 -2.22 0.98 0.00 -0.02 0.00 0.00 33.50 32.66 1q81 n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q81 h ARG 55 N 0.00 0.00 -0.01 -0.52 3.08 -1.89 -0.90 114.38 114.15 1q81 h ARG 55 Ca 0.79 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.84 1q81 h ARG 55 Cb 2.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.66 1q81 h ARG 55 CO -0.39 0.00 -0.42 1.19 -1.07 0.00 0.00 179.97 179.29 1q81 n PHE 56 N -3.16 0.00 -1.62 3.04 3.72 0.76 -4.90 117.46 115.30 1q81 n PHE 56 Ca -0.02 0.00 -0.49 0.00 -0.05 0.00 0.00 57.45 56.89 1q81 n PHE 56 Cb 0.25 -0.13 -0.05 0.00 -0.94 0.00 0.00 39.48 38.61 1q81 n PHE 56 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1q81 n ASP 57 N -0.86 2.09 0.00 4.37 2.03 -0.34 -1.22 116.55 122.61 1q81 n ASP 57 Ca 0.09 1.11 0.00 0.00 0.52 0.00 0.00 54.79 56.52 1q81 n ASP 57 Cb 0.36 -1.28 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 1q81 n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1q81 n GLY 58 N 2.66 0.90 3.82 0.27 0.00 0.31 -5.01 105.19 108.12 1q81 n GLY 58 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1q81 n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1q81 s GLN 59 N -0.87 3.66 -0.31 1.61 -1.52 -0.36 -4.83 119.66 117.05 1q81 s GLN 59 Ca 0.00 1.15 0.02 0.00 -1.95 0.00 0.00 55.36 54.58 1q81 s GLN 59 Cb 0.00 -2.08 0.09 0.00 -0.22 0.00 0.00 33.01 30.80 1q81 s GLN 59 CO 0.00 -0.53 0.04 0.99 -0.25 0.00 0.00 175.29 175.54 1q81 s THR 60 N -2.40 1.72 0.50 -0.19 2.01 -1.26 -0.16 115.64 115.84 1q81 s THR 60 Ca 0.63 -1.83 0.08 0.00 0.31 0.00 0.00 61.69 60.87 1q81 s THR 60 Cb -0.14 -2.20 0.03 0.00 0.01 0.00 0.00 72.50 70.20 1q81 s THR 60 CO 0.31 -0.51 0.57 -0.83 -0.69 0.00 0.00 174.62 173.46 1q81 s GLY 61 N 1.21 2.00 -0.22 4.40 0.00 0.61 -4.84 107.32 110.49 1q81 s GLY 61 Ca 0.07 -1.81 -0.04 0.00 0.00 0.00 0.00 44.72 42.94 1q81 s GLY 61 CO -0.13 -1.69 -0.03 -1.59 0.00 0.00 0.00 173.10 169.66 1q81 s THR 62 N -2.57 3.54 0.06 0.90 2.01 -0.97 0.19 115.64 118.80 1q81 s THR 62 Ca 0.52 -0.44 -0.31 0.00 0.31 0.00 0.00 61.69 61.77 1q81 s THR 62 Cb -0.05 -2.61 -0.08 0.00 0.01 0.00 0.00 72.50 69.76 1q81 s THR 62 CO 0.32 0.42 1.62 -0.69 -0.69 0.00 0.00 174.62 175.59 1q81 s VAL 63 N 1.41 3.15 -0.46 3.82 1.01 -0.08 -1.62 120.40 127.63 1q81 s VAL 63 Ca 0.05 0.58 0.04 0.00 0.00 0.00 0.00 61.98 62.64 1q81 s VAL 63 Cb -0.14 -3.37 0.16 0.00 0.00 0.00 0.00 36.38 33.03 1q81 s VAL 63 CO -0.02 -0.00 0.35 -1.61 0.00 0.00 0.00 175.10 173.82 1q81 s GLU 64 N 2.63 1.17 0.00 2.72 0.41 0.26 0.98 118.70 126.87 1q81 s GLU 64 Ca 0.72 -2.25 0.00 0.00 -0.41 0.00 0.00 54.97 53.03 1q81 s GLU 64 Cb -0.38 -1.81 0.00 0.00 -1.78 0.00 0.00 34.13 30.15 1q81 s GLU 64 CO 0.31 -1.34 0.00 0.41 -0.49 0.00 0.00 175.26 174.15 1q81 n GLY 65 N 2.84 -1.40 3.25 -1.39 0.00 -1.26 -4.60 105.19 102.64 1q81 n GLY 65 Ca 0.25 -1.55 -0.10 0.00 0.00 0.00 0.00 46.02 44.62 1q81 n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q81 s LYS 66 N -1.37 1.05 -0.32 1.61 -2.85 -1.26 -1.26 119.74 115.34 1q81 s LYS 66 Ca 0.00 -1.29 -0.01 0.00 -1.00 0.00 0.00 55.97 53.66 1q81 s LYS 66 Cb 0.00 0.32 0.11 0.00 -2.06 0.00 0.00 37.83 36.19 1q81 s LYS 66 CO 0.00 -0.35 0.13 -1.14 0.10 0.00 0.00 175.35 174.09 1q81 s GLN 67 N -4.00 0.58 2.72 1.78 0.74 0.21 -4.85 119.66 116.84 1q81 s GLN 67 Ca 0.20 -1.00 0.00 0.00 0.05 0.00 0.00 55.36 54.62 1q81 s GLN 67 Cb 0.05 -1.71 0.00 0.00 1.10 0.00 0.00 33.01 32.45 1q81 s GLN 67 CO 0.01 -1.03 0.00 0.41 -0.55 0.00 0.00 175.29 174.13 1q81 n GLY 68 N 4.81 0.34 0.16 2.59 0.00 -1.26 -2.98 105.19 108.85 1q81 n GLY 68 Ca -0.01 -1.17 0.07 0.00 0.00 0.00 0.00 46.02 44.90 1q81 n GLY 68 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1q81 h ASP 69 N 6.34 0.00 -4.01 1.61 3.32 -2.01 -3.46 116.42 118.22 1q81 h ASP 69 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 1q81 h ASP 69 Cb 0.00 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.65 1q81 h ASP 69 CO 0.00 0.26 0.59 0.00 -1.72 0.00 0.00 179.24 178.37 1q81 s ALA 70 N -3.10 3.01 0.21 3.45 0.00 -1.16 -4.83 121.76 119.33 1q81 s ALA 70 Ca 0.04 1.22 -0.02 0.00 0.00 0.00 0.00 51.96 53.19 1q81 s ALA 70 Cb 0.07 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 1q81 s ALA 70 CO 0.73 -1.04 0.42 0.71 0.00 0.00 0.00 175.76 176.58 1q81 s TYR 71 N -1.35 3.48 -0.26 0.00 1.51 0.24 0.67 117.35 121.64 1q81 s TYR 71 Ca 0.65 0.43 -0.05 0.00 -1.01 0.00 0.00 57.07 57.09 1q81 s TYR 71 Cb -0.37 -1.92 0.01 0.00 -0.11 0.00 0.00 41.96 39.56 1q81 s TYR 71 CO 0.45 0.35 0.02 0.15 -1.11 0.00 0.00 175.55 175.41 1q81 s LYS 72 N -3.27 3.14 -0.14 -0.62 1.02 -0.39 -1.02 119.74 118.46 1q81 s LYS 72 Ca 0.40 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.59 1q81 s LYS 72 Cb -0.11 -3.20 -0.01 0.00 -0.52 0.00 0.00 37.83 33.99 1q81 s LYS 72 CO 0.29 -0.36 -0.15 0.08 -0.92 0.00 0.00 175.35 174.29 1q81 s VAL 73 N 1.46 2.82 -0.15 3.17 1.01 -0.66 -0.57 120.40 127.48 1q81 s VAL 73 Ca 0.03 -0.73 -0.19 0.00 0.00 0.00 0.00 61.98 61.09 1q81 s VAL 73 Cb -0.16 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1q81 s VAL 73 CO -0.00 0.52 0.52 -1.81 0.00 0.00 0.00 175.10 174.33 1q81 s ASP 74 N 0.55 6.67 0.32 3.32 1.01 -0.64 0.49 116.67 128.39 1q81 s ASP 74 Ca -0.09 0.80 0.03 0.00 0.71 0.00 0.00 52.55 54.00 1q81 s ASP 74 Cb -0.16 -2.30 -0.06 0.00 1.01 0.00 0.00 42.92 41.41 1q81 s ASP 74 CO 0.04 -0.10 0.07 0.27 0.21 0.00 0.00 175.17 175.67 1q81 s ILE 75 N 1.11 0.98 -0.32 0.77 -4.36 0.97 -2.29 121.20 118.07 1q81 s ILE 75 Ca 0.26 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.68 1q81 s ILE 75 Cb -0.15 -2.72 0.09 0.00 1.25 0.00 0.00 42.46 40.93 1q81 s ILE 75 CO 0.11 0.00 0.04 -0.69 0.24 0.00 0.00 174.94 174.64 1q81 s VAL 76 N -3.40 1.82 -0.27 8.37 1.01 -1.26 -0.16 120.40 126.51 1q81 s VAL 76 Ca 0.36 -1.94 -0.29 0.00 0.00 0.00 0.00 61.98 60.11 1q81 s VAL 76 Cb 0.08 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 34.17 1q81 s VAL 76 CO 0.15 -0.54 1.17 -0.62 0.00 0.00 0.00 175.10 175.26 1q81 s ASP 77 N 1.16 6.88 1.62 3.32 2.15 0.38 -4.69 116.67 127.49 1q81 s ASP 77 Ca 0.08 1.25 0.00 0.00 0.43 0.00 0.00 52.55 54.31 1q81 s ASP 77 Cb -0.19 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.89 1q81 s ASP 77 CO -0.12 -0.89 0.00 0.61 -0.17 0.00 0.00 175.17 174.60 1q81 n GLY 78 N 3.87 1.04 0.00 2.66 0.00 -1.26 0.18 105.19 111.68 1q81 n GLY 78 Ca 0.13 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.64 1q81 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q81 n GLY 79 N 0.00 0.95 3.87 -0.02 0.00 -1.26 -5.02 105.19 103.71 1q81 n GLY 79 Ca 0.00 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1q81 n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1q81 s LYS 80 N -0.55 3.73 -0.04 1.61 2.20 0.47 -5.08 119.74 122.08 1q81 s LYS 80 Ca 0.00 0.13 -0.17 0.00 -0.36 0.00 0.00 55.97 55.57 1q81 s LYS 80 Cb 0.00 -2.92 -0.05 0.00 -1.51 0.00 0.00 37.83 33.34 1q81 s LYS 80 CO 0.00 0.51 0.46 -2.00 -0.36 0.00 0.00 175.35 173.96 1q81 s GLU 81 N -2.18 4.15 0.01 4.03 2.12 -1.26 0.14 118.70 125.71 1q81 s GLU 81 Ca 0.36 0.47 -0.10 0.00 0.36 0.00 0.00 54.97 56.07 1q81 s GLU 81 Cb -0.13 -3.32 0.01 0.00 0.26 0.00 0.00 34.13 30.94 1q81 s GLU 81 CO 0.20 0.44 0.20 0.15 -0.54 0.00 0.00 175.26 175.71 1q81 s LYS 82 N -0.31 0.59 -0.24 4.30 1.02 0.78 -4.88 119.74 121.01 1q81 s LYS 82 Ca 0.25 -0.41 -0.04 0.00 0.02 0.00 0.00 55.97 55.79 1q81 s LYS 82 Cb -0.16 0.25 -0.00 0.00 -0.52 0.00 0.00 37.83 37.39 1q81 s LYS 82 CO 0.13 -0.16 -0.02 0.99 -0.92 0.00 0.00 175.35 175.37 1q81 s THR 83 N -1.70 3.48 -0.25 2.17 2.01 -1.26 -0.02 115.64 120.06 1q81 s THR 83 Ca -0.12 -0.56 -0.07 0.00 0.31 0.00 0.00 61.69 61.26 1q81 s THR 83 Cb -0.05 -2.64 -0.02 0.00 0.01 0.00 0.00 72.50 69.80 1q81 s THR 83 CO 0.01 0.34 0.05 -0.63 -0.69 0.00 0.00 174.62 173.70 1q81 s ILE 84 N 1.48 4.11 -0.74 1.82 1.01 0.18 -4.89 121.20 124.17 1q81 s ILE 84 Ca 0.05 -0.31 -0.27 0.00 0.00 0.00 0.00 60.65 60.12 1q81 s ILE 84 Cb -0.15 -2.95 0.03 0.00 0.01 0.00 0.00 42.46 39.40 1q81 s ILE 84 CO -0.02 0.31 1.29 -0.63 0.00 0.00 0.00 174.94 175.89 1q81 s ILE 85 N 1.58 3.72 0.00 2.92 -1.09 -1.26 -1.66 121.20 125.41 1q81 s ILE 85 Ca 0.06 0.41 0.02 0.00 -2.23 0.00 0.00 60.65 58.91 1q81 s ILE 85 Cb -0.15 -4.90 -0.01 0.00 -1.58 0.00 0.00 42.46 35.82 1q81 s ILE 85 CO 0.02 -1.83 -0.06 0.54 -1.23 0.00 0.00 174.94 172.38 1q81 s VAL 86 N 5.80 0.48 0.43 2.92 0.11 -0.19 -4.65 120.40 125.30 1q81 s VAL 86 Ca 0.36 -0.39 -0.07 0.00 -2.93 0.00 0.00 61.98 58.95 1q81 s VAL 86 Cb -0.08 -0.43 -0.05 0.00 -1.53 0.00 0.00 36.38 34.29 1q81 s VAL 86 CO 0.15 0.05 0.75 0.42 -3.33 0.00 0.00 175.10 173.14 1q81 s THR 87 N -0.34 4.87 0.25 5.04 -4.23 -1.09 -0.59 115.64 119.55 1q81 s THR 87 Ca 0.00 0.36 -0.05 0.00 -1.18 0.00 0.00 61.69 60.82 1q81 s THR 87 Cb -0.04 -3.80 0.24 0.00 1.34 0.00 0.00 72.50 70.25 1q81 s THR 87 CO -0.00 -0.66 1.67 0.00 -0.54 0.00 0.00 174.62 175.09 1q81 h ALA 88 N 0.80 0.93 -1.62 3.99 0.00 -1.85 -1.01 119.26 120.50 1q81 h ALA 88 Ca -0.47 0.19 0.48 0.00 0.00 0.00 0.00 54.91 55.10 1q81 h ALA 88 Cb 1.20 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 19.17 1q81 h ALA 88 CO 0.63 -0.37 1.14 0.00 0.00 0.00 0.00 179.25 180.65 1q81 h ALA 89 N 1.63 3.39 -0.43 0.00 0.00 -1.72 0.90 119.26 123.03 1q81 h ALA 89 Ca 0.42 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 1q81 h ALA 89 Cb 0.73 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1q81 h ALA 89 CO -0.55 -1.92 0.00 0.72 0.00 0.00 0.00 179.25 177.51 1q81 n HIS 90 N -4.19 1.56 -4.33 0.00 -0.00 -0.39 -4.65 115.22 103.22 1q81 n HIS 90 Ca 0.38 -0.81 -0.17 0.00 -0.00 0.00 0.00 57.72 57.11 1q81 n HIS 90 Cb 1.67 -0.42 -0.10 0.00 -0.00 0.00 0.00 29.99 31.14 1q81 n HIS 90 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1q81 s LEU 91 N -2.81 2.34 -0.07 2.41 1.43 0.31 -2.60 118.68 119.69 1q81 s LEU 91 Ca 0.49 -1.16 -0.15 0.00 -1.03 0.00 0.00 54.13 52.28 1q81 s LEU 91 Cb 0.38 -0.38 0.03 0.00 0.03 0.00 0.00 46.19 46.26 1q81 s LEU 91 CO 0.12 -0.42 0.36 -0.13 0.23 0.00 0.00 176.35 176.52 1q81 s ARG 92 N -3.80 0.60 0.19 1.70 1.81 -1.07 -4.94 118.95 113.43 1q81 s ARG 92 Ca 0.26 0.14 -0.30 0.00 -1.72 0.00 0.00 55.73 54.11 1q81 s ARG 92 Cb 0.04 0.27 -0.08 0.00 -0.45 0.00 0.00 34.95 34.73 1q81 s ARG 92 CO 0.07 -0.14 1.23 1.03 -0.68 0.00 0.00 175.30 176.81 1q81 s ARG 93 N -0.67 4.46 0.25 3.54 0.52 -1.26 -0.51 118.95 125.29 1q81 s ARG 93 Ca -0.08 1.92 -0.29 0.00 -0.52 0.00 0.00 55.73 56.76 1q81 s ARG 93 Cb -0.04 -3.23 -0.09 0.00 0.52 0.00 0.00 34.95 32.11 1q81 s ARG 93 CO 0.03 -0.13 0.95 -1.14 0.02 0.00 0.00 175.30 175.03 1q81 s GLN 94 N -0.22 4.81 0.00 3.54 0.74 -0.60 -4.81 119.66 123.12 1q81 s GLN 94 Ca 0.54 1.48 0.00 0.00 0.05 0.00 0.00 55.36 57.43 1q81 s GLN 94 Cb -0.34 -3.21 0.00 0.00 1.10 0.00 0.00 33.01 30.57 1q81 s GLN 94 CO 0.37 0.47 0.00 0.39 -0.55 0.00 0.00 175.29 175.98