#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bt9 s SER 2 N 0.00 0.34 0.98 -3.46 0.01 -1.26 -5.14 113.70 105.17 2bt9 s SER 2 Ca 0.00 -0.70 -0.11 0.00 1.31 0.00 0.00 55.95 56.45 2bt9 s SER 2 Cb 0.00 0.15 0.18 0.00 0.21 0.00 0.00 66.02 66.56 2bt9 s SER 2 CO 0.00 -0.43 1.11 0.68 0.41 0.00 0.00 173.24 175.01 2bt9 s VAL 3 N -2.50 2.09 -0.06 3.43 -7.23 -1.26 -5.01 120.40 109.86 2bt9 s VAL 3 Ca -0.06 0.03 0.03 0.00 -1.81 0.00 0.00 61.98 60.17 2bt9 s VAL 3 Cb -0.02 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.85 2bt9 s VAL 3 CO -0.05 -0.04 -0.15 -1.58 -0.31 0.00 0.00 175.10 172.97 2bt9 s GLN 4 N -4.61 1.82 0.28 4.82 -0.44 -0.88 -4.98 119.66 115.67 2bt9 s GLN 4 Ca 0.67 -0.53 0.09 0.00 -2.50 0.00 0.00 55.36 53.10 2bt9 s GLN 4 Cb -0.23 -1.51 -0.05 0.00 -1.64 0.00 0.00 33.01 29.57 2bt9 s GLN 4 CO 0.60 0.13 -0.13 0.95 0.50 0.00 0.00 175.29 177.34 2bt9 s THR 5 N 0.36 2.08 0.01 -0.34 -4.23 -1.26 -0.45 115.64 111.80 2bt9 s THR 5 Ca -0.10 -2.25 -0.03 0.00 -1.18 0.00 0.00 61.69 58.13 2bt9 s THR 5 Cb -0.14 -2.36 -0.01 0.00 1.34 0.00 0.00 72.50 71.33 2bt9 s THR 5 CO 0.03 -0.37 0.04 0.00 -0.54 0.00 0.00 174.62 173.79 2bt9 s ALA 6 N -2.75 -0.08 0.02 3.99 0.00 -0.31 -4.94 121.76 117.70 2bt9 s ALA 6 Ca 0.29 -0.31 -0.00 0.00 0.00 0.00 0.00 51.96 51.94 2bt9 s ALA 6 Cb -0.00 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 2bt9 s ALA 6 CO 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 175.76 175.72 2bt9 s ALA 7 N -1.18 0.09 0.10 0.00 0.00 -1.26 -0.43 121.76 119.08 2bt9 s ALA 7 Ca -0.13 -0.49 -0.05 0.00 0.00 0.00 0.00 51.96 51.28 2bt9 s ALA 7 Cb -0.08 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 2bt9 s ALA 7 CO 0.00 -0.14 0.12 -0.08 0.00 0.00 0.00 175.76 175.66 2bt9 s THR 8 N -1.27 0.15 0.11 0.00 -1.32 -0.50 -4.87 115.64 107.95 2bt9 s THR 8 Ca -0.14 -1.50 -0.14 0.00 -1.21 0.00 0.00 61.69 58.70 2bt9 s THR 8 Cb -0.09 -1.57 0.03 0.00 -1.51 0.00 0.00 72.50 69.36 2bt9 s THR 8 CO -0.01 -0.67 0.35 -0.94 -2.21 0.00 0.00 174.62 171.14 2bt9 s SER 9 N -2.92 -0.14 0.08 8.08 1.04 -1.26 -1.10 113.70 117.48 2bt9 s SER 9 Ca 0.10 -0.40 -0.21 0.00 0.48 0.00 0.00 55.95 55.93 2bt9 s SER 9 Cb 0.06 0.44 0.05 0.00 0.10 0.00 0.00 66.02 66.67 2bt9 s SER 9 CO -0.07 -0.82 0.50 -1.66 0.98 0.00 0.00 173.24 172.18 2bt9 s TRP 10 N -3.79 -0.39 0.00 5.02 -2.14 -0.33 -4.97 118.94 112.34 2bt9 s TRP 10 Ca 0.03 0.32 0.00 0.00 2.66 0.00 0.00 56.10 59.11 2bt9 s TRP 10 Cb 0.03 0.35 0.00 0.00 -3.10 0.00 0.00 33.47 30.75 2bt9 s TRP 10 CO -0.12 -0.68 0.00 0.41 -2.66 0.00 0.00 176.95 173.90 2bt9 n GLY 11 N 0.16 -0.63 0.50 3.67 0.00 -1.26 -1.56 105.19 106.06 2bt9 n GLY 11 Ca -0.18 -1.08 0.06 0.00 0.00 0.00 0.00 46.02 44.83 2bt9 n GLY 11 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bt9 n THR 12 N -0.62 0.00 -0.02 2.61 -2.24 -1.26 -4.54 114.28 108.21 2bt9 n THR 12 Ca 0.00 -0.49 -0.11 0.00 -2.27 0.00 0.00 64.05 61.18 2bt9 n THR 12 Cb 0.00 1.26 -0.06 0.00 -2.10 0.00 0.00 70.33 69.43 2bt9 n THR 12 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2bt9 h VAL 13 N 2.44 1.12 -2.51 2.28 2.07 -1.98 -3.48 116.25 116.19 2bt9 h VAL 13 Ca 0.00 -0.35 -0.46 0.00 0.82 0.00 0.00 66.70 66.71 2bt9 h VAL 13 Cb 0.53 1.16 0.09 0.00 -1.52 0.00 0.00 31.29 31.54 2bt9 h VAL 13 CO 0.00 0.11 0.14 -2.16 0.02 0.00 0.00 177.57 175.67 2bt9 s PRO 14 N -5.70 1.67 0.11 1.57 0.04 -1.26 -4.91 135.00 126.52 2bt9 s PRO 14 Ca -0.14 -0.94 -0.14 0.00 0.04 0.00 0.00 61.00 59.82 2bt9 s PRO 14 Cb 0.06 -2.28 -0.07 0.00 0.04 0.00 0.00 34.50 32.26 2bt9 s PRO 14 CO 0.69 -1.48 0.51 -1.12 0.04 0.00 0.00 177.00 175.64 2bt9 s SER 15 N -4.71 6.83 0.01 6.66 0.01 -0.60 -4.23 113.70 117.66 2bt9 s SER 15 Ca 0.66 1.04 0.04 0.00 1.31 0.00 0.00 55.95 59.00 2bt9 s SER 15 Cb -0.06 -2.28 -0.01 0.00 0.21 0.00 0.00 66.02 63.88 2bt9 s SER 15 CO 0.45 0.16 -0.13 -0.63 0.41 0.00 0.00 173.24 173.50 2bt9 s ILE 16 N -1.36 1.01 -0.06 1.44 1.01 -0.21 -1.18 121.20 121.84 2bt9 s ILE 16 Ca 0.34 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 60.32 2bt9 s ILE 16 Cb -0.16 -0.88 0.01 0.00 0.01 0.00 0.00 42.46 41.45 2bt9 s ILE 16 CO 0.18 0.17 -0.14 -0.13 0.00 0.00 0.00 174.94 175.02 2bt9 s ARG 17 N -0.61 1.80 -0.14 2.79 1.81 -0.26 -1.18 118.95 123.16 2bt9 s ARG 17 Ca 0.03 -0.48 0.02 0.00 -1.72 0.00 0.00 55.73 53.58 2bt9 s ARG 17 Cb -0.06 -1.48 0.01 0.00 -0.45 0.00 0.00 34.95 32.97 2bt9 s ARG 17 CO 0.00 0.08 -0.19 0.08 -0.68 0.00 0.00 175.30 174.59 2bt9 s VAL 18 N 0.51 1.90 -0.12 3.52 1.01 -0.21 -1.40 120.40 125.60 2bt9 s VAL 18 Ca -0.13 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 60.94 2bt9 s VAL 18 Cb -0.15 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 2bt9 s VAL 18 CO 0.04 0.52 0.02 -0.31 0.00 0.00 0.00 175.10 175.37 2bt9 s TYR 19 N 1.01 3.20 -0.10 5.22 2.02 0.43 -0.90 117.35 128.23 2bt9 s TYR 19 Ca -0.03 0.12 0.01 0.00 -0.37 0.00 0.00 57.07 56.80 2bt9 s TYR 19 Cb -0.15 -1.90 0.02 0.00 -0.40 0.00 0.00 41.96 39.53 2bt9 s TYR 19 CO -0.05 0.34 -0.13 0.99 -1.57 0.00 0.00 175.55 175.13 2bt9 s THR 20 N -0.40 1.32 -0.18 -0.71 2.01 -0.28 -1.16 115.64 116.24 2bt9 s THR 20 Ca 0.08 -0.52 -0.16 0.00 0.31 0.00 0.00 61.69 61.39 2bt9 s THR 20 Cb -0.12 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.12 2bt9 s THR 20 CO 0.02 0.41 0.41 0.00 -0.69 0.00 0.00 174.62 174.77 2bt9 s ALA 21 N 1.12 3.54 -0.22 7.40 0.00 0.40 -1.62 121.76 132.39 2bt9 s ALA 21 Ca -0.05 -0.45 -0.03 0.00 0.00 0.00 0.00 51.96 51.44 2bt9 s ALA 21 Cb -0.14 -2.63 0.11 0.00 0.00 0.00 0.00 23.12 20.46 2bt9 s ALA 21 CO -0.03 -0.22 0.28 1.21 0.00 0.00 0.00 175.76 177.00 2bt9 s ASN 22 N 0.92 1.04 -1.57 0.00 3.84 -0.15 -2.07 114.94 116.95 2bt9 s ASN 22 Ca 0.20 -0.13 -0.10 0.00 0.21 0.00 0.00 52.86 53.04 2bt9 s ASN 22 Cb -0.15 0.63 0.08 0.00 -0.55 0.00 0.00 41.25 41.26 2bt9 s ASN 22 CO 0.08 -0.32 0.58 0.59 -2.79 0.00 0.00 177.10 175.23 2bt9 n ASN 23 N 5.33 -1.77 0.00 -4.21 5.03 -1.26 -2.00 115.26 116.38 2bt9 n ASN 23 Ca -0.05 -1.03 0.00 0.00 0.87 0.00 0.00 54.58 54.38 2bt9 n ASN 23 Cb 0.49 -2.80 0.00 0.00 -1.02 0.00 0.00 39.78 36.45 2bt9 n ASN 23 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bt9 n GLY 24 N -1.73 0.78 3.25 7.41 0.00 -1.25 -5.03 105.19 108.62 2bt9 n GLY 24 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 2bt9 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bt9 s LYS 25 N -0.37 3.12 -0.18 1.61 1.02 -0.85 -0.71 119.74 123.38 2bt9 s LYS 25 Ca 0.00 -0.83 -0.06 0.00 0.02 0.00 0.00 55.97 55.10 2bt9 s LYS 25 Cb 0.00 -2.40 -0.04 0.00 -0.52 0.00 0.00 37.83 34.88 2bt9 s LYS 25 CO 0.00 0.16 0.03 0.42 -0.92 0.00 0.00 175.35 175.03 2bt9 s ILE 26 N 0.42 4.46 0.37 2.17 1.01 0.15 -0.97 121.20 128.81 2bt9 s ILE 26 Ca -0.15 -0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.38 2bt9 s ILE 26 Cb -0.17 -3.00 -0.05 0.00 0.01 0.00 0.00 42.46 39.26 2bt9 s ILE 26 CO 0.07 0.47 0.08 0.42 0.00 0.00 0.00 174.94 175.97 2bt9 s THR 27 N 0.43 0.97 -0.02 2.92 -4.23 -0.64 -2.17 115.64 112.90 2bt9 s THR 27 Ca 0.01 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.53 2bt9 s THR 27 Cb -0.13 -2.59 0.01 0.00 1.34 0.00 0.00 72.50 71.13 2bt9 s THR 27 CO 0.01 0.00 -0.03 -0.70 -0.54 0.00 0.00 174.62 173.36 2bt9 s GLU 28 N -3.83 0.47 0.04 3.99 2.12 -1.24 -1.13 118.70 119.13 2bt9 s GLU 28 Ca 0.30 -0.09 0.09 0.00 0.36 0.00 0.00 54.97 55.62 2bt9 s GLU 28 Cb 0.06 -0.51 -0.03 0.00 0.26 0.00 0.00 34.13 33.91 2bt9 s GLU 28 CO 0.14 0.00 -0.24 1.03 -0.54 0.00 0.00 175.26 175.65 2bt9 s ARG 29 N 0.41 1.89 -0.01 4.30 1.81 -0.08 -0.81 118.95 126.46 2bt9 s ARG 29 Ca -0.04 -1.07 0.03 0.00 -1.72 0.00 0.00 55.73 52.93 2bt9 s ARG 29 Cb -0.08 -2.04 -0.01 0.00 -0.45 0.00 0.00 34.95 32.37 2bt9 s ARG 29 CO -0.00 0.52 -0.10 0.00 -0.68 0.00 0.00 175.30 175.03 2bt9 s TRP 31 N -0.19 1.93 -0.10 0.00 -0.11 -0.33 -1.14 118.94 119.01 2bt9 s TRP 31 Ca 0.03 -0.83 0.14 0.00 1.22 0.00 0.00 56.10 56.66 2bt9 s TRP 31 Cb -0.05 -1.37 0.24 0.00 -1.50 0.00 0.00 33.47 30.79 2bt9 s TRP 31 CO -0.00 -0.41 1.12 -0.25 -4.62 0.00 0.00 176.95 172.79 2bt9 n ASP 32 N 3.96 1.67 0.00 5.86 8.00 -1.26 -1.05 116.55 133.73 2bt9 n ASP 32 Ca -0.20 -2.87 0.00 0.00 0.71 0.00 0.00 54.79 52.43 2bt9 n ASP 32 Cb 0.52 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 2bt9 n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bt9 n GLY 33 N -0.99 1.57 0.14 0.44 0.00 -1.26 -4.90 105.19 100.19 2bt9 n GLY 33 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.15 2bt9 n GLY 33 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2bt9 n LYS 34 N -0.75 0.46 0.00 1.61 2.85 -1.26 -5.11 118.16 115.96 2bt9 n LYS 34 Ca 0.00 -0.89 0.00 0.00 -1.05 0.00 0.00 58.31 56.37 2bt9 n LYS 34 Cb 0.00 -0.63 0.00 0.00 -0.65 0.00 0.00 35.03 33.75 2bt9 n LYS 34 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2bt9 n GLY 35 N -0.15 4.29 3.82 2.58 0.00 -1.26 -5.12 105.19 109.35 2bt9 n GLY 35 Ca 0.01 -1.31 -0.37 0.00 0.00 0.00 0.00 46.02 44.35 2bt9 n GLY 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2bt9 s TRP 36 N -2.00 3.73 0.07 1.61 0.52 -1.26 -4.19 118.94 117.41 2bt9 s TRP 36 Ca 0.00 1.24 -0.02 0.00 0.02 0.00 0.00 56.10 57.34 2bt9 s TRP 36 Cb 0.00 -2.49 -0.03 0.00 -1.15 0.00 0.00 33.47 29.80 2bt9 s TRP 36 CO 0.00 0.50 0.02 1.52 0.02 0.00 0.00 176.95 179.00 2bt9 s TYR 37 N -1.29 0.49 -0.12 -1.98 -0.85 -0.29 -4.94 117.35 108.38 2bt9 s TYR 37 Ca 0.34 -1.01 -0.24 0.00 -0.52 0.00 0.00 57.07 55.64 2bt9 s TYR 37 Cb -0.18 -0.34 -0.03 0.00 0.38 0.00 0.00 41.96 41.79 2bt9 s TYR 37 CO 0.20 -0.42 0.77 0.99 -1.52 0.00 0.00 175.55 175.56 2bt9 s THR 38 N -3.92 4.96 0.78 -3.49 2.01 -1.26 -0.34 115.64 114.38 2bt9 s THR 38 Ca 0.08 1.54 -0.06 0.00 0.31 0.00 0.00 61.69 63.56 2bt9 s THR 38 Cb 0.07 -4.09 0.13 0.00 0.01 0.00 0.00 72.50 68.63 2bt9 s THR 38 CO -0.09 0.13 1.09 -0.83 -0.69 0.00 0.00 174.62 174.23 2bt9 s GLY 39 N 1.01 1.76 0.49 4.40 0.00 0.01 -4.93 107.32 110.06 2bt9 s GLY 39 Ca 0.38 -1.42 0.28 0.00 0.00 0.00 0.00 44.72 43.96 2bt9 s GLY 39 CO 0.15 -0.83 1.91 0.00 0.00 0.00 0.00 173.10 174.33 2bt9 h ALA 40 N -0.85 1.03 -2.45 3.20 0.00 -1.96 -3.43 119.26 114.79 2bt9 h ALA 40 Ca -0.40 -0.11 -0.54 0.00 0.00 0.00 0.00 54.91 53.86 2bt9 h ALA 40 Cb 1.27 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.05 2bt9 h ALA 40 CO 0.43 0.15 0.85 0.12 0.00 0.00 0.00 179.25 180.81 2bt9 s PHE 41 N -3.69 2.85 -0.26 0.00 5.36 -1.26 -4.97 117.98 116.00 2bt9 s PHE 41 Ca 0.01 0.71 -0.01 0.00 -0.96 0.00 0.00 56.93 56.67 2bt9 s PHE 41 Cb 0.10 -3.76 0.14 0.00 -0.34 0.00 0.00 43.02 39.15 2bt9 s PHE 41 CO 0.59 -2.87 0.34 -0.80 -1.46 0.00 0.00 175.22 171.02 2bt9 s ASN 42 N 1.78 0.81 0.07 6.13 0.01 -1.26 -3.59 114.94 118.90 2bt9 s ASN 42 Ca 0.67 -0.26 -0.06 0.00 -0.71 0.00 0.00 52.86 52.50 2bt9 s ASN 42 Cb -0.36 0.85 -0.01 0.00 0.41 0.00 0.00 41.25 42.14 2bt9 s ASN 42 CO 0.29 -0.34 0.12 -1.61 -1.51 0.00 0.00 177.10 174.05 2bt9 s GLU 43 N 2.47 0.75 0.47 -0.60 0.41 -0.92 -5.00 118.70 116.27 2bt9 s GLU 43 Ca 0.10 -1.02 -0.20 0.00 -0.41 0.00 0.00 54.97 53.44 2bt9 s GLU 43 Cb -0.14 0.29 -0.09 0.00 -1.78 0.00 0.00 34.13 32.41 2bt9 s GLU 43 CO -0.24 -0.21 1.01 -1.25 -0.49 0.00 0.00 175.26 174.08 2bt9 s PRO 44 N -3.78 3.96 0.00 0.39 0.04 -1.26 -0.67 135.00 133.67 2bt9 s PRO 44 Ca 0.05 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.36 2bt9 s PRO 44 Cb 0.05 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2bt9 s PRO 44 CO -0.10 -0.28 0.00 0.41 0.04 0.00 0.00 177.00 177.06 2bt9 n GLY 45 N -0.40 2.79 0.01 0.56 0.00 0.11 -4.67 105.19 103.58 2bt9 n GLY 45 Ca 0.08 -0.64 0.10 0.00 0.00 0.00 0.00 46.02 45.56 2bt9 n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bt9 n ASP 46 N 0.00 0.63 -3.86 1.61 8.00 0.18 -3.27 116.55 119.83 2bt9 n ASP 46 Ca 0.00 -0.59 -0.12 0.00 0.71 0.00 0.00 54.79 54.79 2bt9 n ASP 46 Cb 0.00 1.31 -0.12 0.00 -0.02 0.00 0.00 41.12 42.29 2bt9 n ASP 46 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2bt9 s ASN 47 N -3.58 -0.05 0.00 -2.24 3.84 -1.11 -4.90 114.94 106.89 2bt9 s ASN 47 Ca 0.02 0.06 0.01 0.00 0.21 0.00 0.00 52.86 53.17 2bt9 s ASN 47 Cb 0.15 0.20 -0.00 0.00 -0.55 0.00 0.00 41.25 41.05 2bt9 s ASN 47 CO 0.88 -0.12 -0.03 0.54 -2.79 0.00 0.00 177.10 175.57 2bt9 s VAL 48 N -0.36 0.22 0.18 -5.21 0.11 -1.26 -1.08 120.40 113.00 2bt9 s VAL 48 Ca -0.04 -0.20 0.01 0.00 -2.93 0.00 0.00 61.98 58.82 2bt9 s VAL 48 Cb -0.03 -0.21 -0.05 0.00 -1.53 0.00 0.00 36.38 34.57 2bt9 s VAL 48 CO 0.00 0.01 0.01 -0.94 -3.33 0.00 0.00 175.10 170.86 2bt9 s SER 49 N -0.20 1.13 0.01 3.54 1.04 -0.65 -4.53 113.70 114.04 2bt9 s SER 49 Ca -0.00 -1.19 -0.14 0.00 0.48 0.00 0.00 55.95 55.09 2bt9 s SER 49 Cb -0.02 0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.26 2bt9 s SER 49 CO -0.00 -0.60 0.30 0.54 0.98 0.00 0.00 173.24 174.46 2bt9 s VAL 50 N -3.70 0.07 0.08 5.02 0.11 -1.26 -0.64 120.40 120.09 2bt9 s VAL 50 Ca 0.25 -0.58 -0.07 0.00 -2.93 0.00 0.00 61.98 58.65 2bt9 s VAL 50 Cb 0.06 -0.74 -0.01 0.00 -1.53 0.00 0.00 36.38 34.16 2bt9 s VAL 50 CO 0.05 -0.32 0.14 0.28 -3.33 0.00 0.00 175.10 171.92 2bt9 s THR 51 N -1.84 0.16 0.14 5.04 -1.32 -0.45 -4.89 115.64 112.47 2bt9 s THR 51 Ca -0.10 -1.35 -0.14 0.00 -1.21 0.00 0.00 61.69 58.89 2bt9 s THR 51 Cb -0.03 -1.42 0.02 0.00 -1.51 0.00 0.00 72.50 69.55 2bt9 s THR 51 CO 0.01 -0.71 0.38 -0.94 -2.21 0.00 0.00 174.62 171.15 2bt9 s SER 52 N -2.88 -0.14 -0.01 8.08 1.04 -1.26 -0.84 113.70 117.69 2bt9 s SER 52 Ca 0.06 -0.50 -0.18 0.00 0.48 0.00 0.00 55.95 55.81 2bt9 s SER 52 Cb 0.06 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.68 2bt9 s SER 52 CO -0.10 -0.89 0.38 -1.66 0.98 0.00 0.00 173.24 171.95 2bt9 s TRP 53 N -3.86 -0.26 -0.01 5.02 -2.14 -0.37 -5.00 118.94 112.32 2bt9 s TRP 53 Ca 0.07 0.38 -0.13 0.00 2.66 0.00 0.00 56.10 59.08 2bt9 s TRP 53 Cb 0.02 0.16 -0.05 0.00 -3.10 0.00 0.00 33.47 30.49 2bt9 s TRP 53 CO -0.07 -0.45 0.36 -0.51 -2.66 0.00 0.00 176.95 173.62 2bt9 s LEU 54 N -1.43 4.45 -0.40 -4.66 1.43 -1.26 -0.97 118.68 115.84 2bt9 s LEU 54 Ca -0.12 0.86 0.03 0.00 -1.03 0.00 0.00 54.13 53.88 2bt9 s LEU 54 Cb -0.04 -2.55 0.11 0.00 0.03 0.00 0.00 46.19 43.74 2bt9 s LEU 54 CO 0.04 0.32 0.12 -0.69 0.23 0.00 0.00 176.35 176.37 2bt9 s VAL 55 N -1.11 2.48 0.00 -1.59 1.01 -0.04 -4.97 120.40 116.19 2bt9 s VAL 55 Ca 0.23 -2.56 0.00 0.00 0.00 0.00 0.00 61.98 59.65 2bt9 s VAL 55 Cb -0.16 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.44 2bt9 s VAL 55 CO 0.13 -0.66 0.00 0.61 0.00 0.00 0.00 175.10 175.17 2bt9 n GLY 56 N 4.00 3.17 0.58 4.51 0.00 -1.26 -1.73 105.19 114.47 2bt9 n GLY 56 Ca 0.04 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.02 2bt9 n GLY 56 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2bt9 n SER 57 N 7.14 1.98 -4.69 1.61 7.64 -1.26 -4.92 113.62 121.11 2bt9 n SER 57 Ca 0.00 -1.53 -0.39 0.00 1.01 0.00 0.00 58.87 57.96 2bt9 n SER 57 Cb 0.00 0.14 -0.06 0.00 -1.01 0.00 0.00 64.21 63.29 2bt9 n SER 57 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bt9 s ALA 58 N -2.22 3.47 0.13 -0.43 0.00 -0.70 -5.05 121.76 116.96 2bt9 s ALA 58 Ca 0.28 -0.15 -0.18 0.00 0.00 0.00 0.00 51.96 51.91 2bt9 s ALA 58 Cb 0.20 -2.90 -0.07 0.00 0.00 0.00 0.00 23.12 20.35 2bt9 s ALA 58 CO 0.42 -0.32 0.60 -1.50 0.00 0.00 0.00 175.76 174.96 2bt9 s ILE 59 N 1.34 4.73 -0.08 0.00 1.10 -1.26 -0.86 121.20 126.18 2bt9 s ILE 59 Ca 0.30 1.12 0.03 0.00 -0.51 0.00 0.00 60.65 61.59 2bt9 s ILE 59 Cb -0.16 -3.85 0.01 0.00 0.15 0.00 0.00 42.46 38.61 2bt9 s ILE 59 CO 0.12 0.38 -0.16 -1.00 -2.11 0.00 0.00 174.94 172.18 2bt9 s HIS 60 N -1.31 1.83 -0.01 3.50 3.76 -0.14 -4.32 115.29 118.60 2bt9 s HIS 60 Ca 0.35 -0.74 0.07 0.00 -0.15 0.00 0.00 55.06 54.59 2bt9 s HIS 60 Cb -0.18 -1.30 -0.02 0.00 1.11 0.00 0.00 32.58 32.20 2bt9 s HIS 60 CO 0.20 -0.35 -0.21 0.42 -0.85 0.00 0.00 174.74 173.95 2bt9 s ILE 61 N 0.64 1.67 -0.12 0.60 1.01 -0.32 -1.24 121.20 123.44 2bt9 s ILE 61 Ca -0.14 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.59 2bt9 s ILE 61 Cb -0.16 -1.39 0.02 0.00 0.01 0.00 0.00 42.46 40.93 2bt9 s ILE 61 CO 0.04 0.45 -0.13 -0.13 0.00 0.00 0.00 174.94 175.17 2bt9 s ARG 62 N -0.55 2.09 -0.13 2.79 1.81 -0.02 -1.13 118.95 123.81 2bt9 s ARG 62 Ca 0.08 -0.50 -0.01 0.00 -1.72 0.00 0.00 55.73 53.58 2bt9 s ARG 62 Cb -0.08 -1.86 -0.02 0.00 -0.45 0.00 0.00 34.95 32.53 2bt9 s ARG 62 CO -0.01 -0.14 -0.09 0.08 -0.68 0.00 0.00 175.30 174.46 2bt9 s VAL 63 N 1.23 3.43 -0.32 3.52 1.01 -0.16 -1.35 120.40 127.76 2bt9 s VAL 63 Ca -0.02 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 2bt9 s VAL 63 Cb -0.14 -2.46 0.05 0.00 0.00 0.00 0.00 36.38 33.83 2bt9 s VAL 63 CO -0.05 0.52 0.06 -0.31 0.00 0.00 0.00 175.10 175.33 2bt9 s TYR 64 N 0.18 3.27 -0.18 5.22 2.02 0.19 -0.42 117.35 127.63 2bt9 s TYR 64 Ca -0.05 -1.66 -0.05 0.00 -0.37 0.00 0.00 57.07 54.94 2bt9 s TYR 64 Cb -0.15 -2.24 -0.03 0.00 -0.40 0.00 0.00 41.96 39.14 2bt9 s TYR 64 CO 0.04 -0.77 0.00 0.00 -1.57 0.00 0.00 175.55 173.25 2bt9 s ALA 65 N 1.33 3.12 -0.02 3.71 0.00 0.13 -1.64 121.76 128.39 2bt9 s ALA 65 Ca -0.03 -0.86 0.08 0.00 0.00 0.00 0.00 51.96 51.15 2bt9 s ALA 65 Cb -0.20 -1.74 -0.02 0.00 0.00 0.00 0.00 23.12 21.17 2bt9 s ALA 65 CO 0.01 0.07 -0.26 -1.12 0.00 0.00 0.00 175.76 174.46 2bt9 s SER 66 N 0.61 3.00 -0.06 0.00 0.01 -0.24 -0.26 113.70 116.75 2bt9 s SER 66 Ca -0.00 -0.46 -0.01 0.00 1.31 0.00 0.00 55.95 56.79 2bt9 s SER 66 Cb -0.14 -0.35 0.03 0.00 0.21 0.00 0.00 66.02 65.76 2bt9 s SER 66 CO 0.02 0.31 -0.01 -0.89 0.41 0.00 0.00 173.24 173.08 2bt9 s THR 67 N -0.58 0.44 0.00 1.44 2.01 -0.60 -0.65 115.64 117.70 2bt9 s THR 67 Ca 0.09 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.13 2bt9 s THR 67 Cb -0.10 -0.56 0.00 0.00 0.01 0.00 0.00 72.50 71.85 2bt9 s THR 67 CO -0.01 0.25 0.00 0.61 -0.69 0.00 0.00 174.62 174.78 2bt9 n GLY 68 N 4.81 3.30 1.14 4.40 0.00 -1.26 -1.44 105.19 116.13 2bt9 n GLY 68 Ca -0.13 -0.23 0.10 0.00 0.00 0.00 0.00 46.02 45.76 2bt9 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bt9 n THR 69 N 0.00 0.80 -3.61 2.61 -2.24 -1.26 -4.88 114.28 105.69 2bt9 n THR 69 Ca 0.00 -0.82 -0.38 0.00 -2.27 0.00 0.00 64.05 60.58 2bt9 n THR 69 Cb 0.00 0.45 -0.11 0.00 -2.10 0.00 0.00 70.33 68.57 2bt9 n THR 69 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2bt9 s THR 70 N -1.20 5.10 -0.19 4.28 2.01 -0.52 -4.87 115.64 120.24 2bt9 s THR 70 Ca 0.41 0.04 -0.06 0.00 0.31 0.00 0.00 61.69 62.39 2bt9 s THR 70 Cb 0.22 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.24 2bt9 s THR 70 CO 0.29 0.22 0.02 -0.89 -0.69 0.00 0.00 174.62 173.57 2bt9 s THR 71 N 1.72 4.26 -0.16 -0.82 2.01 -1.26 -1.55 115.64 119.84 2bt9 s THR 71 Ca 0.07 -0.21 -0.05 0.00 0.31 0.00 0.00 61.69 61.80 2bt9 s THR 71 Cb -0.16 -2.92 -0.03 0.00 0.01 0.00 0.00 72.50 69.39 2bt9 s THR 71 CO 0.09 0.44 0.01 -0.89 -0.69 0.00 0.00 174.62 173.58 2bt9 s THR 72 N 0.75 4.33 -0.07 -0.82 2.01 0.64 -4.58 115.64 117.91 2bt9 s THR 72 Ca 0.01 -0.20 -0.17 0.00 0.31 0.00 0.00 61.69 61.65 2bt9 s THR 72 Cb -0.14 -2.92 -0.05 0.00 0.01 0.00 0.00 72.50 69.40 2bt9 s THR 72 CO 0.02 0.48 0.45 -0.70 -0.69 0.00 0.00 174.62 174.18 2bt9 s GLU 73 N 0.30 4.18 -0.07 4.92 2.12 -1.26 -0.69 118.70 128.21 2bt9 s GLU 73 Ca -0.00 0.43 0.05 0.00 0.36 0.00 0.00 54.97 55.81 2bt9 s GLU 73 Cb -0.13 -3.35 -0.01 0.00 0.26 0.00 0.00 34.13 30.90 2bt9 s GLU 73 CO 0.02 0.38 -0.21 -1.58 -0.54 0.00 0.00 175.26 173.33 2bt9 s TRP 74 N -0.10 2.54 -0.12 5.30 0.52 0.44 -0.58 118.94 126.93 2bt9 s TRP 74 Ca 0.25 -0.58 0.03 0.00 0.02 0.00 0.00 56.10 55.81 2bt9 s TRP 74 Cb -0.16 -1.64 0.01 0.00 -1.15 0.00 0.00 33.47 30.53 2bt9 s TRP 74 CO 0.11 -0.13 -0.22 0.00 0.02 0.00 0.00 176.95 176.73 2bt9 s TRP 76 N 0.62 3.05 -0.05 0.00 -0.11 -0.28 -1.13 118.94 121.03 2bt9 s TRP 76 Ca -0.12 -0.49 0.20 0.00 1.22 0.00 0.00 56.10 56.91 2bt9 s TRP 76 Cb -0.16 -2.15 0.38 0.00 -1.50 0.00 0.00 33.47 30.04 2bt9 s TRP 76 CO 0.03 -0.32 1.17 -0.25 -4.62 0.00 0.00 176.95 172.96 2bt9 n ASP 77 N 4.56 1.13 0.00 5.86 8.00 -1.26 -1.17 116.55 133.66 2bt9 n ASP 77 Ca -0.17 -2.50 0.00 0.00 0.71 0.00 0.00 54.79 52.84 2bt9 n ASP 77 Cb 0.51 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 2bt9 n ASP 77 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bt9 n GLY 78 N -0.00 1.69 2.75 0.44 0.00 -1.26 -4.98 105.19 103.83 2bt9 n GLY 78 Ca 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.05 2bt9 n GLY 78 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2bt9 n ASN 79 N 0.00 -3.13 0.00 1.61 5.15 -1.26 -5.13 115.26 112.50 2bt9 n ASN 79 Ca 0.00 -3.15 0.00 0.00 -0.60 0.00 0.00 54.58 50.83 2bt9 n ASN 79 Cb 0.00 1.81 0.00 0.00 -0.53 0.00 0.00 39.78 41.06 2bt9 n ASN 79 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bt9 n GLY 80 N 2.16 0.48 3.70 8.20 0.00 -1.26 -4.96 105.19 113.52 2bt9 n GLY 80 Ca 0.13 -1.89 -0.36 0.00 0.00 0.00 0.00 46.02 43.89 2bt9 n GLY 80 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2bt9 s TRP 81 N -1.89 3.40 0.12 1.61 0.52 -1.26 -4.19 118.94 117.25 2bt9 s TRP 81 Ca 0.00 0.44 0.10 0.00 0.02 0.00 0.00 56.10 56.66 2bt9 s TRP 81 Cb 0.00 -2.32 -0.04 0.00 -1.15 0.00 0.00 33.47 29.96 2bt9 s TRP 81 CO 0.00 0.16 -0.24 0.95 0.02 0.00 0.00 176.95 177.84 2bt9 s THR 82 N 0.76 2.01 0.49 2.01 -4.23 -0.29 -4.89 115.64 111.49 2bt9 s THR 82 Ca 0.13 -1.68 -0.22 0.00 -1.18 0.00 0.00 61.69 58.74 2bt9 s THR 82 Cb -0.13 -1.80 -0.07 0.00 1.34 0.00 0.00 72.50 71.84 2bt9 s THR 82 CO 0.03 0.00 1.18 -0.75 -0.54 0.00 0.00 174.62 174.55 2bt9 s LYS 83 N -2.04 3.60 0.42 3.99 2.20 -1.26 0.04 119.74 126.70 2bt9 s LYS 83 Ca 0.11 1.81 0.08 0.00 -0.36 0.00 0.00 55.97 57.60 2bt9 s LYS 83 Cb -0.10 -2.32 -0.01 0.00 -1.51 0.00 0.00 37.83 33.89 2bt9 s LYS 83 CO 0.05 -0.69 0.42 0.20 -0.36 0.00 0.00 175.35 174.97 2bt9 s GLY 84 N -1.38 2.11 0.00 5.54 0.00 0.25 -4.77 107.32 109.07 2bt9 s GLY 84 Ca 0.66 -1.84 0.27 0.00 0.00 0.00 0.00 44.72 43.81 2bt9 s GLY 84 CO 0.35 -1.67 1.92 0.00 0.00 0.00 0.00 173.10 173.70 2bt9 n ALA 85 N -1.61 2.33 -1.02 3.20 0.00 -1.26 -4.68 120.51 117.47 2bt9 n ALA 85 Ca 0.04 -0.12 -0.34 0.00 0.00 0.00 0.00 53.44 53.02 2bt9 n ALA 85 Cb 0.61 -1.44 0.11 0.00 0.00 0.00 0.00 19.45 18.73 2bt9 n ALA 85 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2bt9 n TYR 86 N -1.35 -0.53 -3.74 0.00 9.36 -1.26 -5.07 117.16 114.57 2bt9 n TYR 86 Ca 0.11 0.32 -0.12 0.00 3.32 0.00 0.00 57.90 61.53 2bt9 n TYR 86 Cb 0.25 -1.91 -0.07 0.00 -0.63 0.00 0.00 39.34 36.97 2bt9 n TYR 86 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 2bt9 s THR 87 N -2.18 0.07 -2.94 2.97 -1.32 -1.26 -4.65 115.64 106.33 2bt9 s THR 87 Ca 0.64 -0.58 0.24 0.00 -1.21 0.00 0.00 61.69 60.78 2bt9 s THR 87 Cb -0.28 -0.86 0.19 0.00 -1.51 0.00 0.00 72.50 70.04 2bt9 s THR 87 CO 0.60 -0.32 1.25 -1.54 -2.21 0.00 0.00 174.62 172.40