#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bt9 s VAL 3 N 0.00 2.25 -0.09 -3.33 -7.23 -1.26 -5.02 120.40 105.72 2bt9 s VAL 3 Ca 0.00 0.08 0.04 0.00 -1.81 0.00 0.00 61.98 60.29 2bt9 s VAL 3 Cb 0.00 -2.20 0.00 0.00 0.56 0.00 0.00 36.38 34.74 2bt9 s VAL 3 CO 0.00 -0.10 -0.22 -1.58 -0.31 0.00 0.00 175.10 172.89 2bt9 s GLN 4 N -4.66 2.71 0.30 4.82 -0.44 -0.78 -4.97 119.66 116.63 2bt9 s GLN 4 Ca 0.66 -0.79 0.09 0.00 -2.50 0.00 0.00 55.36 52.82 2bt9 s GLN 4 Cb -0.22 -2.09 -0.06 0.00 -1.64 0.00 0.00 33.01 29.00 2bt9 s GLN 4 CO 0.59 0.17 -0.10 0.95 0.50 0.00 0.00 175.29 177.40 2bt9 s THR 5 N 0.34 2.01 -0.01 -0.34 -4.23 -1.26 -0.31 115.64 111.84 2bt9 s THR 5 Ca -0.16 -2.21 -0.05 0.00 -1.18 0.00 0.00 61.69 58.09 2bt9 s THR 5 Cb -0.17 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.21 2bt9 s THR 5 CO 0.07 -0.30 0.11 0.00 -0.54 0.00 0.00 174.62 173.96 2bt9 s ALA 6 N -2.78 -0.25 0.02 3.99 0.00 -0.24 -4.92 121.76 117.59 2bt9 s ALA 6 Ca 0.30 -0.00 0.02 0.00 0.00 0.00 0.00 51.96 52.27 2bt9 s ALA 6 Cb 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 2bt9 s ALA 6 CO 0.14 -0.14 -0.06 0.00 0.00 0.00 0.00 175.76 175.70 2bt9 s ALA 7 N -0.79 0.43 0.10 0.00 0.00 -1.26 -0.37 121.76 119.85 2bt9 s ALA 7 Ca -0.09 -0.52 -0.02 0.00 0.00 0.00 0.00 51.96 51.33 2bt9 s ALA 7 Cb -0.05 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 2bt9 s ALA 7 CO 0.01 0.00 0.05 -0.08 0.00 0.00 0.00 175.76 175.74 2bt9 s THR 8 N -0.90 0.15 0.13 0.00 -1.32 -0.44 -4.87 115.64 108.39 2bt9 s THR 8 Ca -0.06 -1.75 -0.14 0.00 -1.21 0.00 0.00 61.69 58.52 2bt9 s THR 8 Cb -0.07 -1.74 0.02 0.00 -1.51 0.00 0.00 72.50 69.21 2bt9 s THR 8 CO 0.00 -0.69 0.37 -0.94 -2.21 0.00 0.00 174.62 171.15 2bt9 s SER 9 N -2.97 -0.16 0.05 8.08 1.04 -1.26 -1.00 113.70 117.49 2bt9 s SER 9 Ca 0.14 -0.43 -0.13 0.00 0.48 0.00 0.00 55.95 56.01 2bt9 s SER 9 Cb 0.07 0.46 0.02 0.00 0.10 0.00 0.00 66.02 66.67 2bt9 s SER 9 CO -0.05 -0.86 0.30 -1.66 0.98 0.00 0.00 173.24 171.95 2bt9 s TRP 10 N -3.83 -0.08 0.00 5.02 -2.14 -0.36 -4.96 118.94 112.58 2bt9 s TRP 10 Ca 0.05 -0.10 0.00 0.00 2.66 0.00 0.00 56.10 58.71 2bt9 s TRP 10 Cb 0.02 0.09 0.00 0.00 -3.10 0.00 0.00 33.47 30.48 2bt9 s TRP 10 CO -0.10 -0.52 0.00 0.41 -2.66 0.00 0.00 176.95 174.08 2bt9 n GLY 11 N 0.45 -0.10 0.05 3.67 0.00 -1.26 -1.76 105.19 106.24 2bt9 n GLY 11 Ca -0.18 -1.03 0.03 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.02 0.00 0.02 2.61 -2.24 -1.26 -4.68 114.28 108.70 2bt9 n THR 12 Ca 0.00 -0.38 -0.10 0.00 -2.27 0.00 0.00 64.05 61.30 2bt9 n THR 12 Cb 0.00 1.03 -0.05 0.00 -2.10 0.00 0.00 70.33 69.21 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 0.24 0.85 -2.02 2.28 2.07 -1.98 -3.48 116.25 114.21 2bt9 h VAL 13 Ca 0.00 0.00 -0.47 0.00 0.82 0.00 0.00 66.70 67.05 2bt9 h VAL 13 Cb 0.17 0.85 0.08 0.00 -1.52 0.00 0.00 31.29 30.87 2bt9 h VAL 13 CO 0.00 0.00 0.08 -2.16 0.02 0.00 0.00 177.57 175.51 2bt9 s PRO 14 N -6.19 1.75 0.02 1.57 0.04 -1.26 -4.90 135.00 126.04 2bt9 s PRO 14 Ca -0.13 -1.16 -0.14 0.00 0.04 0.00 0.00 61.00 59.61 2bt9 s PRO 14 Cb 0.08 -2.37 -0.06 0.00 0.04 0.00 0.00 34.50 32.20 2bt9 s PRO 14 CO 0.67 -1.38 0.41 -1.12 0.04 0.00 0.00 177.00 175.63 2bt9 s SER 15 N -4.72 6.78 0.02 6.66 0.01 -0.72 -4.00 113.70 117.72 2bt9 s SER 15 Ca 0.66 0.93 0.05 0.00 1.31 0.00 0.00 55.95 58.90 2bt9 s SER 15 Cb -0.05 -2.24 -0.02 0.00 0.21 0.00 0.00 66.02 63.92 2bt9 s SER 15 CO 0.44 0.28 -0.15 -0.63 0.41 0.00 0.00 173.24 173.59 2bt9 s ILE 16 N -1.17 1.22 -0.06 1.44 1.01 -0.00 -1.23 121.20 122.41 2bt9 s ILE 16 Ca 0.26 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 60.06 2bt9 s ILE 16 Cb -0.16 -1.06 0.01 0.00 0.01 0.00 0.00 42.46 41.26 2bt9 s ILE 16 CO 0.15 0.17 -0.12 -0.13 0.00 0.00 0.00 174.94 175.01 2bt9 s ARG 17 N -0.80 1.64 -0.14 2.79 1.81 -0.17 -1.19 118.95 122.88 2bt9 s ARG 17 Ca 0.04 -0.41 0.02 0.00 -1.72 0.00 0.00 55.73 53.67 2bt9 s ARG 17 Cb -0.07 -1.37 0.01 0.00 -0.45 0.00 0.00 34.95 33.07 2bt9 s ARG 17 CO 0.01 0.04 -0.21 0.08 -0.68 0.00 0.00 175.30 174.53 2bt9 s VAL 18 N 0.61 2.01 -0.14 3.52 1.01 -0.20 -1.32 120.40 125.90 2bt9 s VAL 18 Ca -0.13 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 60.86 2bt9 s VAL 18 Cb -0.15 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 2bt9 s VAL 18 CO 0.03 0.54 0.01 -0.31 0.00 0.00 0.00 175.10 175.38 2bt9 s TYR 19 N 0.91 3.16 -0.12 5.22 2.02 0.50 -0.89 117.35 128.15 2bt9 s TYR 19 Ca -0.05 0.03 0.01 0.00 -0.37 0.00 0.00 57.07 56.69 2bt9 s TYR 19 Cb -0.15 -1.93 0.02 0.00 -0.40 0.00 0.00 41.96 39.50 2bt9 s TYR 19 CO -0.04 0.24 -0.14 0.99 -1.57 0.00 0.00 175.55 175.03 2bt9 s THR 20 N -0.16 1.46 -0.21 -0.71 2.01 -0.19 -1.08 115.64 116.76 2bt9 s THR 20 Ca 0.05 -0.61 -0.18 0.00 0.31 0.00 0.00 61.69 61.26 2bt9 s THR 20 Cb -0.12 -1.35 -0.03 0.00 0.01 0.00 0.00 72.50 71.00 2bt9 s THR 20 CO 0.02 0.44 0.52 0.00 -0.69 0.00 0.00 174.62 174.90 2bt9 s ALA 21 N 1.13 3.55 -0.15 7.40 0.00 0.58 -1.48 121.76 132.79 2bt9 s ALA 21 Ca -0.04 -0.44 -0.04 0.00 0.00 0.00 0.00 51.96 51.44 2bt9 s ALA 21 Cb -0.14 -2.82 0.06 0.00 0.00 0.00 0.00 23.12 20.22 2bt9 s ALA 21 CO -0.04 -0.50 0.14 1.21 0.00 0.00 0.00 175.76 176.57 2bt9 s ASN 22 N 1.22 1.67 -1.48 0.00 3.84 0.02 -1.87 114.94 118.34 2bt9 s ASN 22 Ca 0.23 -0.27 -0.07 0.00 0.21 0.00 0.00 52.86 52.96 2bt9 s ASN 22 Cb -0.15 0.03 0.05 0.00 -0.55 0.00 0.00 41.25 40.63 2bt9 s ASN 22 CO 0.09 -0.31 0.70 -3.20 -2.79 0.00 0.00 177.10 171.59 2bt9 n ASN 23 N 5.30 -2.23 0.00 -4.21 5.15 -1.26 -1.85 115.26 116.16 2bt9 n ASN 23 Ca -0.06 -0.91 0.00 0.00 -0.60 0.00 0.00 54.58 53.01 2bt9 n ASN 23 Cb 0.49 -3.42 0.00 0.00 -0.53 0.00 0.00 39.78 36.32 2bt9 n ASN 23 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bt9 n GLY 24 N -1.71 0.80 3.25 8.20 0.00 -1.25 -5.03 105.19 109.45 2bt9 n GLY 24 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.24 2.62 -0.17 1.61 1.02 -0.77 -1.15 119.74 122.65 2bt9 s LYS 25 Ca 0.00 -0.88 -0.06 0.00 0.02 0.00 0.00 55.97 55.06 2bt9 s LYS 25 Cb 0.00 -2.15 -0.03 0.00 -0.52 0.00 0.00 37.83 35.12 2bt9 s LYS 25 CO 0.00 0.32 0.02 0.42 -0.92 0.00 0.00 175.35 175.19 2bt9 s ILE 26 N -0.02 4.37 0.39 2.17 1.01 0.32 -0.80 121.20 128.64 2bt9 s ILE 26 Ca -0.08 -0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.43 2bt9 s ILE 26 Cb -0.15 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 2bt9 s ILE 26 CO 0.05 0.47 0.07 0.42 0.00 0.00 0.00 174.94 175.95 2bt9 s THR 27 N 0.39 1.06 -0.03 2.92 -4.23 -0.55 -2.09 115.64 113.12 2bt9 s THR 27 Ca -0.00 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 2bt9 s THR 27 Cb -0.13 -2.57 0.02 0.00 1.34 0.00 0.00 72.50 71.15 2bt9 s THR 27 CO 0.01 0.00 -0.04 -0.70 -0.54 0.00 0.00 174.62 173.36 2bt9 s GLU 28 N -3.81 0.60 0.03 3.99 2.12 -1.23 -1.03 118.70 119.36 2bt9 s GLU 28 Ca 0.28 -0.10 0.07 0.00 0.36 0.00 0.00 54.97 55.58 2bt9 s GLU 28 Cb 0.06 -0.63 -0.03 0.00 0.26 0.00 0.00 34.13 33.78 2bt9 s GLU 28 CO 0.14 -0.03 -0.18 1.03 -0.54 0.00 0.00 175.26 175.68 2bt9 s ARG 29 N 0.61 2.13 -0.01 4.30 1.81 -0.07 -0.79 118.95 126.93 2bt9 s ARG 29 Ca -0.07 -0.94 0.03 0.00 -1.72 0.00 0.00 55.73 53.03 2bt9 s ARG 29 Cb -0.11 -2.21 -0.01 0.00 -0.45 0.00 0.00 34.95 32.17 2bt9 s ARG 29 CO -0.00 0.55 -0.11 0.00 -0.68 0.00 0.00 175.30 175.06 2bt9 s TRP 31 N -0.25 1.82 -0.15 0.00 -0.11 -0.33 -1.10 118.94 118.81 2bt9 s TRP 31 Ca 0.04 -0.82 0.14 0.00 1.22 0.00 0.00 56.10 56.68 2bt9 s TRP 31 Cb -0.05 -1.33 0.35 0.00 -1.50 0.00 0.00 33.47 30.94 2bt9 s TRP 31 CO -0.00 -0.43 1.18 -0.25 -4.62 0.00 0.00 176.95 172.82 2bt9 n ASP 32 N 4.18 1.75 0.00 5.86 8.00 -1.26 -0.82 116.55 134.26 2bt9 n ASP 32 Ca -0.19 -3.31 0.00 0.00 0.71 0.00 0.00 54.79 52.00 2bt9 n ASP 32 Cb 0.51 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 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 -1.01 0.70 1.63 0.44 0.00 -1.26 -4.88 105.19 100.82 2bt9 n GLY 33 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.21 2bt9 n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bt9 n LYS 34 N -1.32 0.18 0.00 1.61 5.02 -1.26 -5.10 118.16 117.29 2bt9 n LYS 34 Ca 0.00 -2.13 0.00 0.00 -2.02 0.00 0.00 58.31 54.16 2bt9 n LYS 34 Cb 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.86 2bt9 n LYS 34 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bt9 n GLY 35 N 0.37 3.02 3.81 0.72 0.00 -1.26 -5.05 105.19 106.79 2bt9 n GLY 35 Ca 0.05 -1.80 -0.35 0.00 0.00 0.00 0.00 46.02 43.92 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 -2.26 3.56 0.12 1.61 0.52 -1.26 -4.32 118.94 116.92 2bt9 s TRP 36 Ca 0.00 1.54 -0.09 0.00 0.02 0.00 0.00 56.10 57.57 2bt9 s TRP 36 Cb 0.00 -2.75 -0.00 0.00 -1.15 0.00 0.00 33.47 29.56 2bt9 s TRP 36 CO 0.00 0.18 0.23 1.52 0.02 0.00 0.00 176.95 178.90 2bt9 s TYR 37 N -1.74 0.24 -0.16 -1.98 -0.85 -0.26 -4.95 117.35 107.65 2bt9 s TYR 37 Ca 0.51 -0.64 -0.25 0.00 -0.52 0.00 0.00 57.07 56.16 2bt9 s TYR 37 Cb -0.15 -0.05 -0.02 0.00 0.38 0.00 0.00 41.96 42.12 2bt9 s TYR 37 CO 0.20 -0.62 0.80 0.99 -1.52 0.00 0.00 175.55 175.40 2bt9 s THR 38 N -3.90 4.91 0.85 -3.49 2.01 -1.26 -0.27 115.64 114.49 2bt9 s THR 38 Ca 0.10 1.56 -0.08 0.00 0.31 0.00 0.00 61.69 63.58 2bt9 s THR 38 Cb 0.04 -4.11 0.17 0.00 0.01 0.00 0.00 72.50 68.62 2bt9 s THR 38 CO -0.07 0.06 1.17 -0.83 -0.69 0.00 0.00 174.62 174.26 2bt9 s GLY 39 N 1.13 1.77 0.48 4.40 0.00 0.03 -4.94 107.32 110.20 2bt9 s GLY 39 Ca 0.37 -1.52 0.27 0.00 0.00 0.00 0.00 44.72 43.84 2bt9 s GLY 39 CO 0.13 -0.83 1.88 0.00 0.00 0.00 0.00 173.10 174.28 2bt9 h ALA 40 N -1.12 1.02 -2.58 3.20 0.00 -1.96 -3.43 119.26 114.38 2bt9 h ALA 40 Ca -0.40 -0.12 -0.53 0.00 0.00 0.00 0.00 54.91 53.86 2bt9 h ALA 40 Cb 1.25 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 19.05 2bt9 h ALA 40 CO 0.37 0.17 0.77 0.12 0.00 0.00 0.00 179.25 180.69 2bt9 s PHE 41 N -3.65 3.17 -0.30 0.00 5.36 -1.26 -4.97 117.98 116.32 2bt9 s PHE 41 Ca 0.01 0.87 -0.10 0.00 -0.96 0.00 0.00 56.93 56.75 2bt9 s PHE 41 Cb 0.10 -3.77 0.16 0.00 -0.34 0.00 0.00 43.02 39.17 2bt9 s PHE 41 CO 0.60 -2.71 0.77 0.54 -1.46 0.00 0.00 175.22 172.97 2bt9 s ASN 42 N 1.03 -0.97 0.05 6.13 4.22 -1.26 -3.58 114.94 120.56 2bt9 s ASN 42 Ca 0.66 1.10 -0.04 0.00 -2.14 0.00 0.00 52.86 52.43 2bt9 s ASN 42 Cb -0.39 2.01 -0.02 0.00 1.28 0.00 0.00 41.25 44.13 2bt9 s ASN 42 CO 0.32 -0.18 0.07 -1.61 -2.04 0.00 0.00 177.10 173.65 2bt9 s GLU 43 N 2.77 0.64 0.47 3.55 0.41 -0.89 -4.99 118.70 120.66 2bt9 s GLU 43 Ca 0.01 -0.94 -0.22 0.00 -0.41 0.00 0.00 54.97 53.42 2bt9 s GLU 43 Cb -0.11 0.24 -0.08 0.00 -1.78 0.00 0.00 34.13 32.41 2bt9 s GLU 43 CO -0.18 -0.16 1.10 -1.25 -0.49 0.00 0.00 175.26 174.29 2bt9 s PRO 44 N -3.23 3.76 0.00 0.39 0.04 -1.26 -0.52 135.00 134.18 2bt9 s PRO 44 Ca 0.00 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.63 2bt9 s PRO 44 Cb 0.03 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2bt9 s PRO 44 CO -0.07 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 176.87 2bt9 n GLY 45 N 0.21 2.50 0.01 0.56 0.00 -0.30 -4.68 105.19 103.49 2bt9 n GLY 45 Ca 0.08 -0.68 0.11 0.00 0.00 0.00 0.00 46.02 45.53 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 0.22 -3.98 1.61 8.00 0.26 -3.09 116.55 119.57 2bt9 n ASP 46 Ca 0.00 -0.19 -0.12 0.00 0.71 0.00 0.00 54.79 55.19 2bt9 n ASP 46 Cb 0.00 1.75 -0.12 0.00 -0.02 0.00 0.00 41.12 42.72 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 -4.24 0.45 -0.04 -2.24 3.84 -1.04 -4.84 114.94 106.83 2bt9 s ASN 47 Ca -0.05 -0.32 -0.05 0.00 0.21 0.00 0.00 52.86 52.65 2bt9 s ASN 47 Cb 0.14 0.02 0.01 0.00 -0.55 0.00 0.00 41.25 40.88 2bt9 s ASN 47 CO 0.90 -0.13 0.13 0.54 -2.79 0.00 0.00 177.10 175.75 2bt9 s VAL 48 N -0.85 0.01 0.20 -5.21 0.11 -1.26 -1.39 120.40 112.01 2bt9 s VAL 48 Ca -0.07 -0.11 0.02 0.00 -2.93 0.00 0.00 61.98 58.89 2bt9 s VAL 48 Cb -0.06 -0.23 -0.05 0.00 -1.53 0.00 0.00 36.38 34.51 2bt9 s VAL 48 CO -0.00 -0.06 0.03 -0.94 -3.33 0.00 0.00 175.10 170.79 2bt9 s SER 49 N -0.15 1.26 -0.00 3.54 1.04 -0.67 -4.52 113.70 114.19 2bt9 s SER 49 Ca -0.02 -1.23 -0.16 0.00 0.48 0.00 0.00 55.95 55.02 2bt9 s SER 49 Cb -0.02 0.12 0.03 0.00 0.10 0.00 0.00 66.02 66.25 2bt9 s SER 49 CO 0.00 -0.60 0.33 0.54 0.98 0.00 0.00 173.24 174.49 2bt9 s VAL 50 N -3.66 0.06 0.07 5.02 0.11 -1.26 -0.71 120.40 120.02 2bt9 s VAL 50 Ca 0.28 -0.48 -0.05 0.00 -2.93 0.00 0.00 61.98 58.79 2bt9 s VAL 50 Cb 0.06 -0.70 -0.02 0.00 -1.53 0.00 0.00 36.38 34.19 2bt9 s VAL 50 CO 0.07 -0.26 0.09 0.28 -3.33 0.00 0.00 175.10 171.95 2bt9 s THR 51 N -1.56 0.17 0.12 5.04 -1.32 -0.45 -4.89 115.64 112.75 2bt9 s THR 51 Ca -0.12 -1.42 -0.14 0.00 -1.21 0.00 0.00 61.69 58.80 2bt9 s THR 51 Cb -0.04 -1.37 0.02 0.00 -1.51 0.00 0.00 72.50 69.61 2bt9 s THR 51 CO 0.03 -0.78 0.35 -0.94 -2.21 0.00 0.00 174.62 171.07 2bt9 s SER 52 N -2.82 -0.14 0.02 8.08 1.04 -1.26 -0.78 113.70 117.84 2bt9 s SER 52 Ca 0.05 -0.42 -0.18 0.00 0.48 0.00 0.00 55.95 55.88 2bt9 s SER 52 Cb 0.06 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.65 2bt9 s SER 52 CO -0.10 -0.83 0.39 -1.66 0.98 0.00 0.00 173.24 172.02 2bt9 s TRP 53 N -3.82 -0.25 -0.02 5.02 -2.14 -0.37 -5.01 118.94 112.35 2bt9 s TRP 53 Ca 0.04 0.29 -0.10 0.00 2.66 0.00 0.00 56.10 58.99 2bt9 s TRP 53 Cb 0.03 0.18 -0.05 0.00 -3.10 0.00 0.00 33.47 30.52 2bt9 s TRP 53 CO -0.11 -0.51 0.30 -0.51 -2.66 0.00 0.00 176.95 173.47 2bt9 s LEU 54 N -1.71 4.41 -0.36 -4.66 1.43 -1.26 -1.11 118.68 115.42 2bt9 s LEU 54 Ca -0.09 0.71 0.02 0.00 -1.03 0.00 0.00 54.13 53.75 2bt9 s LEU 54 Cb -0.02 -2.53 0.10 0.00 0.03 0.00 0.00 46.19 43.77 2bt9 s LEU 54 CO 0.01 0.31 0.10 -0.69 0.23 0.00 0.00 176.35 176.30 2bt9 s VAL 55 N -1.17 2.57 0.00 -1.59 1.01 -0.12 -4.97 120.40 116.13 2bt9 s VAL 55 Ca 0.24 -2.28 0.00 0.00 0.00 0.00 0.00 61.98 59.94 2bt9 s VAL 55 Cb -0.14 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.39 2bt9 s VAL 55 CO 0.12 -0.63 0.00 0.61 0.00 0.00 0.00 175.10 175.21 2bt9 n GLY 56 N 4.34 4.23 0.75 4.51 0.00 -1.26 -1.36 105.19 116.40 2bt9 n GLY 56 Ca 0.02 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.31 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 8.25 2.32 -4.71 1.61 7.64 -1.26 -4.93 113.62 122.55 2bt9 n SER 57 Ca 0.00 -1.77 -0.38 0.00 1.01 0.00 0.00 58.87 57.73 2bt9 n SER 57 Cb 0.00 -0.03 -0.07 0.00 -1.01 0.00 0.00 64.21 63.10 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 -1.94 3.52 0.13 -0.43 0.00 -0.46 -5.07 121.76 117.52 2bt9 s ALA 58 Ca 0.33 -0.34 -0.17 0.00 0.00 0.00 0.00 51.96 51.78 2bt9 s ALA 58 Cb 0.20 -2.59 -0.07 0.00 0.00 0.00 0.00 23.12 20.66 2bt9 s ALA 58 CO 0.31 -0.07 0.59 -1.50 0.00 0.00 0.00 175.76 175.10 2bt9 s ILE 59 N 0.80 4.75 -0.06 0.00 1.10 -1.26 -0.94 121.20 125.59 2bt9 s ILE 59 Ca 0.22 1.08 0.03 0.00 -0.51 0.00 0.00 60.65 61.47 2bt9 s ILE 59 Cb -0.14 -3.83 0.01 0.00 0.15 0.00 0.00 42.46 38.64 2bt9 s ILE 59 CO 0.08 0.37 -0.14 -1.00 -2.11 0.00 0.00 174.94 172.14 2bt9 s HIS 60 N -1.33 1.50 0.00 3.50 3.76 -0.27 -4.36 115.29 118.10 2bt9 s HIS 60 Ca 0.35 -0.51 0.05 0.00 -0.15 0.00 0.00 55.06 54.81 2bt9 s HIS 60 Cb -0.17 -1.07 -0.02 0.00 1.11 0.00 0.00 32.58 32.43 2bt9 s HIS 60 CO 0.20 -0.23 -0.17 0.42 -0.85 0.00 0.00 174.74 174.10 2bt9 s ILE 61 N 0.44 1.32 -0.11 0.60 1.01 -0.47 -1.24 121.20 122.76 2bt9 s ILE 61 Ca -0.11 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 59.74 2bt9 s ILE 61 Cb -0.14 -1.12 0.02 0.00 0.01 0.00 0.00 42.46 41.23 2bt9 s ILE 61 CO 0.03 0.29 -0.12 -0.13 0.00 0.00 0.00 174.94 175.02 2bt9 s ARG 62 N -0.60 1.92 -0.14 2.79 1.81 0.04 -1.05 118.95 123.71 2bt9 s ARG 62 Ca 0.06 -0.44 -0.02 0.00 -1.72 0.00 0.00 55.73 53.62 2bt9 s ARG 62 Cb -0.07 -1.74 -0.02 0.00 -0.45 0.00 0.00 34.95 32.68 2bt9 s ARG 62 CO -0.00 -0.14 -0.09 0.08 -0.68 0.00 0.00 175.30 174.47 2bt9 s VAL 63 N 1.23 3.38 -0.34 3.52 1.01 -0.33 -1.34 120.40 127.52 2bt9 s VAL 63 Ca -0.03 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 2bt9 s VAL 63 Cb -0.14 -2.45 0.04 0.00 0.00 0.00 0.00 36.38 33.83 2bt9 s VAL 63 CO -0.04 0.51 0.10 -0.31 0.00 0.00 0.00 175.10 175.36 2bt9 s TYR 64 N 0.39 3.25 -0.20 5.22 2.02 0.11 -0.44 117.35 127.71 2bt9 s TYR 64 Ca -0.08 -1.42 -0.07 0.00 -0.37 0.00 0.00 57.07 55.14 2bt9 s TYR 64 Cb -0.15 -2.28 -0.03 0.00 -0.40 0.00 0.00 41.96 39.10 2bt9 s TYR 64 CO 0.04 -0.73 0.05 0.00 -1.57 0.00 0.00 175.55 173.34 2bt9 s ALA 65 N 1.40 3.25 -0.06 3.71 0.00 0.02 -1.67 121.76 128.41 2bt9 s ALA 65 Ca -0.02 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.11 2bt9 s ALA 65 Cb -0.19 -1.91 -0.01 0.00 0.00 0.00 0.00 23.12 21.01 2bt9 s ALA 65 CO 0.03 -0.04 -0.24 -1.12 0.00 0.00 0.00 175.76 174.39 2bt9 s SER 66 N 0.79 3.17 -0.07 0.00 0.01 -0.49 -0.41 113.70 116.70 2bt9 s SER 66 Ca 0.03 -0.49 -0.01 0.00 1.31 0.00 0.00 55.95 56.79 2bt9 s SER 66 Cb -0.14 -0.90 0.03 0.00 0.21 0.00 0.00 66.02 65.22 2bt9 s SER 66 CO 0.02 0.24 -0.01 -0.89 0.41 0.00 0.00 173.24 173.01 2bt9 s THR 67 N -0.16 0.44 0.00 1.44 2.01 -0.47 -0.57 115.64 118.32 2bt9 s THR 67 Ca -0.04 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.02 2bt9 s THR 67 Cb -0.14 -0.56 0.00 0.00 0.01 0.00 0.00 72.50 71.81 2bt9 s THR 67 CO 0.04 0.26 0.00 0.61 -0.69 0.00 0.00 174.62 174.83 2bt9 n GLY 68 N 4.90 3.35 0.84 4.40 0.00 -1.26 -1.64 105.19 115.78 2bt9 n GLY 68 Ca -0.11 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 0.34 -3.73 2.61 -2.24 -1.26 -4.89 114.28 105.11 2bt9 n THR 69 Ca 0.00 -0.53 -0.36 0.00 -2.27 0.00 0.00 64.05 60.88 2bt9 n THR 69 Cb 0.00 0.68 -0.11 0.00 -2.10 0.00 0.00 70.33 68.80 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 -1.66 5.00 -0.19 4.28 2.01 -0.65 -4.97 115.64 119.45 2bt9 s THR 70 Ca 0.35 0.06 -0.05 0.00 0.31 0.00 0.00 61.69 62.36 2bt9 s THR 70 Cb 0.20 -3.33 -0.02 0.00 0.01 0.00 0.00 72.50 69.35 2bt9 s THR 70 CO 0.29 0.34 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.66 2bt9 s THR 71 N 1.22 3.93 -0.14 -0.82 2.01 -1.26 -1.37 115.64 119.21 2bt9 s THR 71 Ca 0.06 -0.33 -0.04 0.00 0.31 0.00 0.00 61.69 61.70 2bt9 s THR 71 Cb -0.14 -2.76 -0.03 0.00 0.01 0.00 0.00 72.50 69.57 2bt9 s THR 71 CO 0.05 0.45 -0.01 -0.89 -0.69 0.00 0.00 174.62 173.53 2bt9 s THR 72 N 0.81 4.13 -0.06 -0.82 2.01 0.45 -4.78 115.64 117.39 2bt9 s THR 72 Ca 0.00 -0.28 -0.14 0.00 0.31 0.00 0.00 61.69 61.58 2bt9 s THR 72 Cb -0.14 -2.80 -0.05 0.00 0.01 0.00 0.00 72.50 69.52 2bt9 s THR 72 CO 0.02 0.52 0.35 -0.70 -0.69 0.00 0.00 174.62 174.12 2bt9 s GLU 73 N -0.01 3.94 -0.06 4.92 2.12 -1.26 -0.80 118.70 127.56 2bt9 s GLU 73 Ca 0.02 0.26 0.06 0.00 0.36 0.00 0.00 54.97 55.67 2bt9 s GLU 73 Cb -0.13 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 30.98 2bt9 s GLU 73 CO 0.02 0.57 -0.24 -1.58 -0.54 0.00 0.00 175.26 173.50 2bt9 s TRP 74 N -0.63 2.36 -0.13 5.30 0.52 0.42 -0.37 118.94 126.41 2bt9 s TRP 74 Ca 0.21 -0.70 0.02 0.00 0.02 0.00 0.00 56.10 55.65 2bt9 s TRP 74 Cb -0.15 -1.55 0.00 0.00 -1.15 0.00 0.00 33.47 30.62 2bt9 s TRP 74 CO 0.10 -0.21 -0.20 0.00 0.02 0.00 0.00 176.95 176.65 2bt9 s TRP 76 N 0.62 3.07 -0.06 0.00 -0.11 -0.22 -1.17 118.94 121.07 2bt9 s TRP 76 Ca -0.11 -0.43 0.23 0.00 1.22 0.00 0.00 56.10 57.01 2bt9 s TRP 76 Cb -0.16 -2.16 0.43 0.00 -1.50 0.00 0.00 33.47 30.08 2bt9 s TRP 76 CO 0.03 -0.28 1.18 -0.25 -4.62 0.00 0.00 176.95 173.00 2bt9 n ASP 77 N 4.55 1.21 0.00 5.86 8.00 -1.26 -1.37 116.55 133.53 2bt9 n ASP 77 Ca -0.17 -2.42 0.00 0.00 0.71 0.00 0.00 54.79 52.91 2bt9 n ASP 77 Cb 0.52 -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 0.11 0.85 2.74 0.44 0.00 -1.26 -4.99 105.19 103.07 2bt9 n GLY 78 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.00 0.00 1.61 5.15 -1.26 -5.14 115.26 112.62 2bt9 n ASN 79 Ca 0.00 -3.16 0.00 0.00 -0.60 0.00 0.00 54.58 50.82 2bt9 n ASN 79 Cb 0.00 1.74 0.00 0.00 -0.53 0.00 0.00 39.78 40.99 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 2.07 0.86 3.63 8.20 0.00 -1.26 -4.98 105.19 113.71 2bt9 n GLY 80 Ca 0.12 -1.89 -0.35 0.00 0.00 0.00 0.00 46.02 43.90 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 -2.19 3.27 0.12 1.61 0.52 -1.26 -4.18 118.94 116.84 2bt9 s TRP 81 Ca 0.00 0.09 0.10 0.00 0.02 0.00 0.00 56.10 56.31 2bt9 s TRP 81 Cb 0.00 -2.17 -0.04 0.00 -1.15 0.00 0.00 33.47 30.11 2bt9 s TRP 81 CO 0.00 0.08 -0.25 0.95 0.02 0.00 0.00 176.95 177.75 2bt9 s THR 82 N 0.75 2.09 0.07 2.01 -4.23 -0.32 -4.86 115.64 111.15 2bt9 s THR 82 Ca 0.05 -1.70 -0.31 0.00 -1.18 0.00 0.00 61.69 58.55 2bt9 s THR 82 Cb -0.13 -1.86 -0.07 0.00 1.34 0.00 0.00 72.50 71.78 2bt9 s THR 82 CO 0.02 0.03 1.36 -0.75 -0.54 0.00 0.00 174.62 174.74 2bt9 s LYS 83 N -2.04 4.33 0.67 3.99 2.20 -1.26 -0.18 119.74 127.45 2bt9 s LYS 83 Ca 0.12 1.99 -0.04 0.00 -0.36 0.00 0.00 55.97 57.68 2bt9 s LYS 83 Cb -0.10 -3.35 0.07 0.00 -1.51 0.00 0.00 37.83 32.93 2bt9 s LYS 83 CO 0.06 -0.44 0.95 0.20 -0.36 0.00 0.00 175.35 175.75 2bt9 s GLY 84 N 1.31 1.75 0.24 5.54 0.00 0.50 -4.88 107.32 111.78 2bt9 s GLY 84 Ca 0.63 -1.19 0.24 0.00 0.00 0.00 0.00 44.72 44.41 2bt9 s GLY 84 CO 0.29 -0.78 1.73 0.00 0.00 0.00 0.00 173.10 174.34 2bt9 n ALA 85 N -2.76 1.81 -1.60 3.20 0.00 -1.26 -4.68 120.51 115.22 2bt9 n ALA 85 Ca 0.09 0.06 -0.47 0.00 0.00 0.00 0.00 53.44 53.12 2bt9 n ALA 85 Cb 0.60 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.23 1.47 -4.11 0.00 9.36 -1.26 -5.00 117.16 115.39 2bt9 n TYR 86 Ca 0.03 0.64 -0.08 0.00 3.32 0.00 0.00 57.90 61.81 2bt9 n TYR 86 Cb 0.28 -2.31 -0.10 0.00 -0.63 0.00 0.00 39.34 36.58 2bt9 n TYR 86 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 2bt9 s THR 87 N -0.37 0.21 0.11 2.97 -4.23 -1.26 -4.64 115.64 108.43 2bt9 s THR 87 Ca 0.69 -1.84 -0.11 0.00 -1.18 0.00 0.00 61.69 59.24 2bt9 s THR 87 Cb -0.77 -1.67 0.01 0.00 1.34 0.00 0.00 72.50 71.41 2bt9 s THR 87 CO 0.54 -0.85 0.28 -0.94 -0.54 0.00 0.00 174.62 173.11 2bt9 s SER 88 N -2.96 -0.02 0.00 3.99 1.04 -1.26 -5.12 113.70 109.37 2bt9 s SER 88 Ca 0.12 -0.57 0.17 0.00 0.48 0.00 0.00 55.95 56.14 2bt9 s SER 88 Cb 0.08 0.40 0.13 0.00 0.10 0.00 0.00 66.02 66.74 2bt9 s SER 88 CO -0.07 -0.80 1.03 0.35 0.98 0.00 0.00 173.24 174.73