#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bs6 s SER 2 N 0.00 0.20 1.07 4.04 1.04 -1.26 -5.15 113.70 113.64 2bs6 s SER 2 Ca 0.00 -0.85 -0.12 0.00 0.48 0.00 0.00 55.95 55.45 2bs6 s SER 2 Cb 0.00 0.33 0.23 0.00 0.10 0.00 0.00 66.02 66.68 2bs6 s SER 2 CO 0.00 -0.75 1.06 0.68 0.98 0.00 0.00 173.24 175.22 2bs6 s VAL 3 N -3.93 2.11 -0.07 5.02 -7.23 -1.26 -5.02 120.40 110.02 2bs6 s VAL 3 Ca 0.11 0.04 0.01 0.00 -1.81 0.00 0.00 61.98 60.33 2bs6 s VAL 3 Cb 0.05 -2.26 0.02 0.00 0.56 0.00 0.00 36.38 34.75 2bs6 s VAL 3 CO -0.06 -0.05 -0.08 -1.58 -0.31 0.00 0.00 175.10 173.02 2bs6 s GLN 4 N -4.67 1.33 0.33 4.82 -0.44 -0.85 -4.99 119.66 115.18 2bs6 s GLN 4 Ca 0.67 -0.24 0.09 0.00 -2.50 0.00 0.00 55.36 53.38 2bs6 s GLN 4 Cb -0.22 -1.27 -0.05 0.00 -1.64 0.00 0.00 33.01 29.83 2bs6 s GLN 4 CO 0.61 -0.11 0.02 0.95 0.50 0.00 0.00 175.29 177.26 2bs6 s THR 5 N 1.12 2.77 -0.00 -0.34 -4.23 -1.26 -0.53 115.64 113.18 2bs6 s THR 5 Ca -0.07 -1.95 -0.05 0.00 -1.18 0.00 0.00 61.69 58.44 2bs6 s THR 5 Cb -0.14 -2.80 -0.00 0.00 1.34 0.00 0.00 72.50 70.89 2bs6 s THR 5 CO -0.01 -0.23 0.10 0.00 -0.54 0.00 0.00 174.62 173.93 2bs6 s ALA 6 N -2.48 -0.22 0.03 3.99 0.00 -0.03 -4.97 121.76 118.08 2bs6 s ALA 6 Ca 0.34 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.17 2bs6 s ALA 6 Cb -0.01 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 2bs6 s ALA 6 CO 0.20 -0.17 -0.06 0.00 0.00 0.00 0.00 175.76 175.73 2bs6 s ALA 7 N -1.12 0.41 0.06 0.00 0.00 -1.26 -0.15 121.76 119.69 2bs6 s ALA 7 Ca -0.12 -0.64 -0.06 0.00 0.00 0.00 0.00 51.96 51.14 2bs6 s ALA 7 Cb -0.07 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 2bs6 s ALA 7 CO 0.01 -0.05 0.11 -0.08 0.00 0.00 0.00 175.76 175.75 2bs6 s THR 8 N -1.24 0.15 0.06 0.00 -1.32 -0.30 -4.89 115.64 108.09 2bs6 s THR 8 Ca -0.10 -1.22 -0.15 0.00 -1.21 0.00 0.00 61.69 59.01 2bs6 s THR 8 Cb -0.09 -1.14 0.02 0.00 -1.51 0.00 0.00 72.50 69.78 2bs6 s THR 8 CO -0.00 -0.68 0.33 -0.94 -2.21 0.00 0.00 174.62 171.13 2bs6 s SER 9 N -2.48 -0.15 0.07 8.08 1.04 -1.26 -0.89 113.70 118.10 2bs6 s SER 9 Ca 0.00 -0.21 -0.12 0.00 0.48 0.00 0.00 55.95 56.10 2bs6 s SER 9 Cb 0.02 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.55 2bs6 s SER 9 CO -0.07 -0.67 0.27 -1.66 0.98 0.00 0.00 173.24 172.08 2bs6 s TRP 10 N -2.85 -0.02 0.00 5.02 -2.14 -0.43 -4.99 118.94 113.53 2bs6 s TRP 10 Ca -0.03 -0.25 0.00 0.00 2.66 0.00 0.00 56.10 58.48 2bs6 s TRP 10 Cb 0.00 0.06 0.00 0.00 -3.10 0.00 0.00 33.47 30.43 2bs6 s TRP 10 CO -0.05 -0.54 0.00 0.41 -2.66 0.00 0.00 176.95 174.11 2bs6 n GLY 11 N 0.25 -0.33 0.18 3.67 0.00 -1.26 -1.60 105.19 106.10 2bs6 n GLY 11 Ca -0.17 -1.03 0.03 0.00 0.00 0.00 0.00 46.02 44.85 2bs6 n GLY 11 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bs6 n THR 12 N -0.49 0.00 0.05 2.61 -2.24 -1.26 -4.70 114.28 108.24 2bs6 n THR 12 Ca 0.00 -0.48 -0.11 0.00 -2.27 0.00 0.00 64.05 61.19 2bs6 n THR 12 Cb 0.00 1.09 -0.05 0.00 -2.10 0.00 0.00 70.33 69.28 2bs6 n THR 12 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2bs6 h VAL 13 N 0.89 0.68 -1.60 2.28 2.07 -1.98 -3.48 116.25 115.12 2bs6 h VAL 13 Ca 0.00 0.00 -0.47 0.00 0.82 0.00 0.00 66.70 67.05 2bs6 h VAL 13 Cb 0.21 0.68 0.06 0.00 -1.52 0.00 0.00 31.29 30.72 2bs6 h VAL 13 CO 0.00 0.00 0.01 -2.16 0.02 0.00 0.00 177.57 175.44 2bs6 s PRO 14 N -6.15 1.96 -0.04 1.57 0.04 -1.26 -4.92 135.00 126.20 2bs6 s PRO 14 Ca -0.14 -1.32 -0.13 0.00 0.04 0.00 0.00 61.00 59.45 2bs6 s PRO 14 Cb 0.08 -2.47 -0.05 0.00 0.04 0.00 0.00 34.50 32.10 2bs6 s PRO 14 CO 0.67 -1.18 0.34 -1.12 0.04 0.00 0.00 177.00 175.74 2bs6 s SER 15 N -4.70 6.68 0.01 6.66 0.01 -0.63 -4.01 113.70 117.73 2bs6 s SER 15 Ca 0.64 0.80 0.05 0.00 1.31 0.00 0.00 55.95 58.76 2bs6 s SER 15 Cb -0.06 -2.20 -0.02 0.00 0.21 0.00 0.00 66.02 63.95 2bs6 s SER 15 CO 0.42 0.32 -0.16 -0.63 0.41 0.00 0.00 173.24 173.60 2bs6 s ILE 16 N -0.90 1.28 -0.08 1.44 1.01 0.01 -1.32 121.20 122.64 2bs6 s ILE 16 Ca 0.21 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 60.01 2bs6 s ILE 16 Cb -0.15 -1.10 0.01 0.00 0.01 0.00 0.00 42.46 41.23 2bs6 s ILE 16 CO 0.10 0.22 -0.14 -0.13 0.00 0.00 0.00 174.94 174.99 2bs6 s ARG 17 N -0.76 1.92 -0.16 2.79 1.81 -0.07 -1.52 118.95 122.95 2bs6 s ARG 17 Ca 0.05 -0.47 0.01 0.00 -1.72 0.00 0.00 55.73 53.59 2bs6 s ARG 17 Cb -0.07 -1.60 0.01 0.00 -0.45 0.00 0.00 34.95 32.84 2bs6 s ARG 17 CO 0.00 0.00 -0.18 0.08 -0.68 0.00 0.00 175.30 174.53 2bs6 s VAL 18 N 0.77 2.37 -0.11 3.52 1.01 -0.10 -1.15 120.40 126.70 2bs6 s VAL 18 Ca -0.12 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 60.96 2bs6 s VAL 18 Cb -0.16 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 2bs6 s VAL 18 CO 0.02 0.52 0.03 -0.31 0.00 0.00 0.00 175.10 175.37 2bs6 s TYR 19 N 1.02 3.24 -0.10 5.22 2.02 0.78 -0.73 117.35 128.81 2bs6 s TYR 19 Ca -0.02 0.19 0.00 0.00 -0.37 0.00 0.00 57.07 56.87 2bs6 s TYR 19 Cb -0.15 -1.88 0.02 0.00 -0.40 0.00 0.00 41.96 39.56 2bs6 s TYR 19 CO -0.05 0.42 -0.08 0.99 -1.57 0.00 0.00 175.55 175.26 2bs6 s THR 20 N -0.59 0.98 -0.25 -0.71 2.01 -0.21 -0.86 115.64 116.00 2bs6 s THR 20 Ca 0.10 -0.29 -0.22 0.00 0.31 0.00 0.00 61.69 61.60 2bs6 s THR 20 Cb -0.12 -0.99 -0.01 0.00 0.01 0.00 0.00 72.50 71.39 2bs6 s THR 20 CO 0.02 0.35 0.69 0.00 -0.69 0.00 0.00 174.62 174.99 2bs6 s ALA 21 N 1.52 3.62 -0.14 7.40 0.00 0.31 -1.67 121.76 132.79 2bs6 s ALA 21 Ca 0.01 -0.36 -0.04 0.00 0.00 0.00 0.00 51.96 51.57 2bs6 s ALA 21 Cb -0.13 -3.11 0.06 0.00 0.00 0.00 0.00 23.12 19.93 2bs6 s ALA 21 CO -0.06 -0.86 0.10 1.21 0.00 0.00 0.00 175.76 176.15 2bs6 s ASN 22 N 1.44 1.87 -1.38 0.00 3.84 0.22 -2.00 114.94 118.93 2bs6 s ASN 22 Ca 0.29 -0.36 -0.02 0.00 0.21 0.00 0.00 52.86 52.98 2bs6 s ASN 22 Cb -0.15 -0.12 0.02 0.00 -0.55 0.00 0.00 41.25 40.44 2bs6 s ASN 22 CO 0.08 -0.32 0.63 -3.20 -2.79 0.00 0.00 177.10 171.51 2bs6 n ASN 23 N 5.29 -1.34 0.00 -4.21 5.15 -1.26 -1.84 115.26 117.05 2bs6 n ASN 23 Ca -0.06 -0.89 0.00 0.00 -0.60 0.00 0.00 54.58 53.03 2bs6 n ASN 23 Cb 0.49 -3.63 0.00 0.00 -0.53 0.00 0.00 39.78 36.11 2bs6 n ASN 23 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bs6 n GLY 24 N -1.72 0.65 3.13 8.20 0.00 -1.25 -5.02 105.19 109.17 2bs6 n GLY 24 Ca -0.25 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 2bs6 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bs6 s LYS 25 N -0.08 1.52 -0.18 1.61 1.02 -0.77 -0.79 119.74 122.08 2bs6 s LYS 25 Ca 0.00 -0.58 -0.05 0.00 0.02 0.00 0.00 55.97 55.36 2bs6 s LYS 25 Cb 0.00 -1.39 -0.03 0.00 -0.52 0.00 0.00 37.83 35.89 2bs6 s LYS 25 CO 0.00 0.28 0.01 0.42 -0.92 0.00 0.00 175.35 175.14 2bs6 s ILE 26 N -0.13 4.17 0.37 2.17 1.01 0.55 -0.61 121.20 128.73 2bs6 s ILE 26 Ca 0.01 -0.25 0.04 0.00 0.00 0.00 0.00 60.65 60.44 2bs6 s ILE 26 Cb -0.09 -2.86 -0.05 0.00 0.01 0.00 0.00 42.46 39.46 2bs6 s ILE 26 CO 0.01 0.46 0.06 0.42 0.00 0.00 0.00 174.94 175.89 2bs6 s THR 27 N 0.63 1.15 -0.03 2.92 -4.23 -0.67 -1.74 115.64 113.67 2bs6 s THR 27 Ca -0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 2bs6 s THR 27 Cb -0.14 -2.65 0.03 0.00 1.34 0.00 0.00 72.50 71.07 2bs6 s THR 27 CO 0.02 0.00 -0.00 -0.70 -0.54 0.00 0.00 174.62 173.40 2bs6 s GLU 28 N -3.83 0.29 0.00 3.99 2.12 -1.22 -1.05 118.70 119.00 2bs6 s GLU 28 Ca 0.30 0.07 0.05 0.00 0.36 0.00 0.00 54.97 55.75 2bs6 s GLU 28 Cb 0.07 -0.46 -0.03 0.00 0.26 0.00 0.00 34.13 33.97 2bs6 s GLU 28 CO 0.14 -0.12 -0.16 1.03 -0.54 0.00 0.00 175.26 175.61 2bs6 s ARG 29 N 0.95 2.28 -0.01 4.30 1.81 0.09 -0.91 118.95 127.47 2bs6 s ARG 29 Ca -0.10 -0.85 0.03 0.00 -1.72 0.00 0.00 55.73 53.09 2bs6 s ARG 29 Cb -0.13 -2.28 -0.00 0.00 -0.45 0.00 0.00 34.95 32.08 2bs6 s ARG 29 CO -0.02 0.58 -0.10 0.00 -0.68 0.00 0.00 175.30 175.08 2bs6 s TRP 31 N -0.12 1.70 -0.16 0.00 -0.11 -0.57 -0.74 118.94 118.94 2bs6 s TRP 31 Ca 0.02 -0.87 0.16 0.00 1.22 0.00 0.00 56.10 56.63 2bs6 s TRP 31 Cb -0.05 -1.33 0.34 0.00 -1.50 0.00 0.00 33.47 30.93 2bs6 s TRP 31 CO -0.00 -0.54 1.18 -0.25 -4.62 0.00 0.00 176.95 172.72 2bs6 n ASP 32 N 4.79 2.11 0.00 5.86 8.00 -1.26 -0.81 116.55 135.24 2bs6 n ASP 32 Ca -0.15 -3.41 0.00 0.00 0.71 0.00 0.00 54.79 51.95 2bs6 n ASP 32 Cb 0.50 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 2bs6 n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bs6 n GLY 33 N -1.31 0.59 2.69 0.44 0.00 -1.26 -4.87 105.19 101.48 2bs6 n GLY 33 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 2bs6 n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2bs6 n LYS 34 N -1.41 1.24 0.00 1.61 4.81 -1.26 -5.12 118.16 118.03 2bs6 n LYS 34 Ca 0.00 -2.76 0.00 0.00 -0.87 0.00 0.00 58.31 54.68 2bs6 n LYS 34 Cb 0.00 -0.85 0.00 0.00 0.02 0.00 0.00 35.03 34.20 2bs6 n LYS 34 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2bs6 n GLY 35 N -0.37 2.68 3.71 3.14 0.00 -1.26 -5.03 105.19 108.06 2bs6 n GLY 35 Ca 0.04 -1.77 -0.40 0.00 0.00 0.00 0.00 46.02 43.88 2bs6 n GLY 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2bs6 s TRP 36 N -2.15 3.57 0.16 1.61 0.52 -1.25 -4.25 118.94 117.15 2bs6 s TRP 36 Ca 0.00 1.29 0.03 0.00 0.02 0.00 0.00 56.10 57.44 2bs6 s TRP 36 Cb 0.00 -2.85 -0.05 0.00 -1.15 0.00 0.00 33.47 29.42 2bs6 s TRP 36 CO 0.00 0.05 -0.04 1.52 0.02 0.00 0.00 176.95 178.50 2bs6 s TYR 37 N 0.93 1.25 -0.24 -1.98 -0.85 0.08 -4.92 117.35 111.62 2bs6 s TYR 37 Ca 0.39 -0.90 -0.29 0.00 -0.52 0.00 0.00 57.07 55.75 2bs6 s TYR 37 Cb -0.18 -0.69 0.01 0.00 0.38 0.00 0.00 41.96 41.48 2bs6 s TYR 37 CO 0.19 -0.07 1.03 0.99 -1.52 0.00 0.00 175.55 176.17 2bs6 s THR 38 N -3.50 4.67 0.80 -3.49 2.01 -1.26 -0.48 115.64 114.40 2bs6 s THR 38 Ca 0.20 1.97 -0.11 0.00 0.31 0.00 0.00 61.69 64.07 2bs6 s THR 38 Cb 0.05 -4.31 0.09 0.00 0.01 0.00 0.00 72.50 68.34 2bs6 s THR 38 CO 0.02 -0.20 1.15 -0.83 -0.69 0.00 0.00 174.62 174.07 2bs6 s GLY 39 N 1.25 1.65 0.51 4.40 0.00 -0.08 -4.95 107.32 110.10 2bs6 s GLY 39 Ca 0.44 -0.83 0.29 0.00 0.00 0.00 0.00 44.72 44.61 2bs6 s GLY 39 CO 0.07 -0.33 1.98 0.00 0.00 0.00 0.00 173.10 174.82 2bs6 h ALA 40 N -0.99 1.08 -2.30 3.20 0.00 -1.96 -3.44 119.26 114.85 2bs6 h ALA 40 Ca -0.45 -0.11 -0.55 0.00 0.00 0.00 0.00 54.91 53.80 2bs6 h ALA 40 Cb 1.31 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 2bs6 h ALA 40 CO 0.60 0.15 0.73 0.12 0.00 0.00 0.00 179.25 180.84 2bs6 s PHE 41 N -3.83 3.14 -0.29 0.00 5.36 -1.26 -4.97 117.98 116.12 2bs6 s PHE 41 Ca -0.01 1.17 0.03 0.00 -0.96 0.00 0.00 56.93 57.17 2bs6 s PHE 41 Cb 0.11 -3.44 0.17 0.00 -0.34 0.00 0.00 43.02 39.52 2bs6 s PHE 41 CO 0.58 -1.41 0.46 1.21 -1.46 0.00 0.00 175.22 174.61 2bs6 s ASN 42 N 1.55 -0.21 0.08 6.13 3.84 -1.26 -3.45 114.94 121.62 2bs6 s ASN 42 Ca 0.56 -0.21 -0.09 0.00 0.21 0.00 0.00 52.86 53.33 2bs6 s ASN 42 Cb -0.25 1.38 -0.00 0.00 -0.55 0.00 0.00 41.25 41.83 2bs6 s ASN 42 CO 0.21 -0.34 0.19 -1.61 -2.79 0.00 0.00 177.10 172.77 2bs6 s GLU 43 N 2.63 0.82 0.43 0.43 0.41 -0.71 -4.99 118.70 117.72 2bs6 s GLU 43 Ca 0.10 -0.90 -0.25 0.00 -0.41 0.00 0.00 54.97 53.51 2bs6 s GLU 43 Cb -0.12 0.34 -0.08 0.00 -1.78 0.00 0.00 34.13 32.49 2bs6 s GLU 43 CO -0.29 -0.26 1.21 -1.25 -0.49 0.00 0.00 175.26 174.19 2bs6 s PRO 44 N -3.65 3.89 0.00 0.39 0.04 -1.26 -0.33 135.00 134.08 2bs6 s PRO 44 Ca 0.03 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.00 2bs6 s PRO 44 Cb 0.04 -2.59 0.00 0.00 0.04 0.00 0.00 34.50 31.98 2bs6 s PRO 44 CO -0.10 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 176.87 2bs6 n GLY 45 N 0.60 2.36 0.00 0.56 0.00 0.03 -4.65 105.19 104.09 2bs6 n GLY 45 Ca 0.05 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.04 2bs6 n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bs6 n ASP 46 N 0.00 0.63 -3.80 1.61 8.00 0.38 -2.69 116.55 120.68 2bs6 n ASP 46 Ca 0.00 -0.42 -0.12 0.00 0.71 0.00 0.00 54.79 54.95 2bs6 n ASP 46 Cb 0.00 0.46 -0.11 0.00 -0.02 0.00 0.00 41.12 41.45 2bs6 n ASP 46 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2bs6 s ASN 47 N -3.07 -0.18 0.01 -2.24 3.84 -0.81 -4.91 114.94 107.58 2bs6 s ASN 47 Ca 0.10 0.25 0.00 0.00 0.21 0.00 0.00 52.86 53.42 2bs6 s ASN 47 Cb 0.17 0.40 -0.01 0.00 -0.55 0.00 0.00 41.25 41.26 2bs6 s ASN 47 CO 0.75 -0.23 -0.02 0.54 -2.79 0.00 0.00 177.10 175.34 2bs6 s VAL 48 N -0.54 0.14 0.16 -5.21 0.11 -1.26 -1.17 120.40 112.65 2bs6 s VAL 48 Ca -0.06 -0.29 -0.00 0.00 -2.93 0.00 0.00 61.98 58.69 2bs6 s VAL 48 Cb -0.04 -0.17 -0.04 0.00 -1.53 0.00 0.00 36.38 34.60 2bs6 s VAL 48 CO 0.01 -0.10 0.06 -0.94 -3.33 0.00 0.00 175.10 170.80 2bs6 s SER 49 N -0.41 0.62 -0.03 3.54 1.04 -0.76 -4.56 113.70 113.13 2bs6 s SER 49 Ca -0.03 -1.24 -0.18 0.00 0.48 0.00 0.00 55.95 54.98 2bs6 s SER 49 Cb -0.03 0.25 0.03 0.00 0.10 0.00 0.00 66.02 66.37 2bs6 s SER 49 CO -0.00 -0.70 0.38 0.54 0.98 0.00 0.00 173.24 174.44 2bs6 s VAL 50 N -3.93 0.04 0.07 5.02 0.11 -1.26 -0.60 120.40 119.85 2bs6 s VAL 50 Ca 0.27 -0.37 -0.05 0.00 -2.93 0.00 0.00 61.98 58.91 2bs6 s VAL 50 Cb 0.07 -0.68 -0.02 0.00 -1.53 0.00 0.00 36.38 34.22 2bs6 s VAL 50 CO 0.05 -0.20 0.09 0.28 -3.33 0.00 0.00 175.10 171.99 2bs6 s THR 51 N -1.22 0.17 0.07 5.04 -1.32 -0.67 -4.90 115.64 112.81 2bs6 s THR 51 Ca -0.12 -1.43 -0.15 0.00 -1.21 0.00 0.00 61.69 58.77 2bs6 s THR 51 Cb -0.04 -1.37 0.03 0.00 -1.51 0.00 0.00 72.50 69.61 2bs6 s THR 51 CO 0.05 -0.79 0.36 -0.94 -2.21 0.00 0.00 174.62 171.08 2bs6 s SER 52 N -2.81 -0.18 0.01 8.08 1.04 -1.26 -1.05 113.70 117.53 2bs6 s SER 52 Ca 0.05 -0.22 -0.09 0.00 0.48 0.00 0.00 55.95 56.16 2bs6 s SER 52 Cb 0.06 0.41 0.01 0.00 0.10 0.00 0.00 66.02 66.59 2bs6 s SER 52 CO -0.10 -0.72 0.18 -1.66 0.98 0.00 0.00 173.24 171.93 2bs6 s TRP 53 N -3.08 -0.00 -0.04 5.02 -2.14 -0.35 -5.00 118.94 113.36 2bs6 s TRP 53 Ca -0.01 -0.07 -0.12 0.00 2.66 0.00 0.00 56.10 58.55 2bs6 s TRP 53 Cb 0.01 -0.01 -0.05 0.00 -3.10 0.00 0.00 33.47 30.31 2bs6 s TRP 53 CO -0.07 -0.33 0.33 -0.51 -2.66 0.00 0.00 176.95 173.71 2bs6 s LEU 54 N -1.50 4.45 -0.32 -4.66 1.43 -1.26 -0.60 118.68 116.22 2bs6 s LEU 54 Ca -0.13 0.82 0.02 0.00 -1.03 0.00 0.00 54.13 53.81 2bs6 s LEU 54 Cb -0.06 -2.44 0.08 0.00 0.03 0.00 0.00 46.19 43.81 2bs6 s LEU 54 CO 0.01 0.35 0.02 -0.69 0.23 0.00 0.00 176.35 176.27 2bs6 s VAL 55 N -1.06 2.52 0.00 -1.59 1.01 -0.27 -4.97 120.40 116.04 2bs6 s VAL 55 Ca 0.21 -1.96 0.00 0.00 0.00 0.00 0.00 61.98 60.23 2bs6 s VAL 55 Cb -0.15 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.55 2bs6 s VAL 55 CO 0.11 -0.38 0.00 0.61 0.00 0.00 0.00 175.10 175.43 2bs6 n GLY 56 N 4.41 4.09 1.00 4.51 0.00 -1.26 -1.61 105.19 116.34 2bs6 n GLY 56 Ca -0.04 0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.16 2bs6 n GLY 56 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bs6 n SER 57 N 8.99 3.12 -4.66 1.61 3.41 -1.26 -4.93 113.62 119.89 2bs6 n SER 57 Ca 0.00 -1.97 -0.38 0.00 -0.26 0.00 0.00 58.87 56.26 2bs6 n SER 57 Cb 0.00 -0.09 -0.08 0.00 -0.26 0.00 0.00 64.21 63.78 2bs6 n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bs6 s ALA 58 N -1.75 3.56 0.14 7.33 0.00 -0.63 -5.06 121.76 125.35 2bs6 s ALA 58 Ca 0.31 -0.60 -0.24 0.00 0.00 0.00 0.00 51.96 51.43 2bs6 s ALA 58 Cb 0.20 -2.62 -0.08 0.00 0.00 0.00 0.00 23.12 20.62 2bs6 s ALA 58 CO 0.30 -0.35 0.75 -1.50 0.00 0.00 0.00 175.76 174.95 2bs6 s ILE 59 N 1.42 4.45 -0.08 0.00 1.10 -1.26 -1.11 121.20 125.72 2bs6 s ILE 59 Ca 0.18 1.63 0.05 0.00 -0.51 0.00 0.00 60.65 61.99 2bs6 s ILE 59 Cb -0.15 -4.10 -0.00 0.00 0.15 0.00 0.00 42.46 38.35 2bs6 s ILE 59 CO 0.08 0.51 -0.24 -1.00 -2.11 0.00 0.00 174.94 172.19 2bs6 s HIS 60 N -1.04 2.43 0.00 3.50 3.76 0.23 -4.36 115.29 119.81 2bs6 s HIS 60 Ca 0.35 -0.88 0.04 0.00 -0.15 0.00 0.00 55.06 54.43 2bs6 s HIS 60 Cb -0.22 -1.61 -0.01 0.00 1.11 0.00 0.00 32.58 31.84 2bs6 s HIS 60 CO 0.25 -0.32 -0.14 0.42 -0.85 0.00 0.00 174.74 174.09 2bs6 s ILE 61 N 0.15 1.12 -0.11 0.60 1.01 -0.37 -1.21 121.20 122.38 2bs6 s ILE 61 Ca -0.12 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 59.84 2bs6 s ILE 61 Cb -0.16 -0.95 0.02 0.00 0.01 0.00 0.00 42.46 41.38 2bs6 s ILE 61 CO 0.06 0.24 -0.13 -0.13 0.00 0.00 0.00 174.94 174.98 2bs6 s ARG 62 N -0.52 2.05 -0.16 2.79 1.81 -0.21 -1.07 118.95 123.63 2bs6 s ARG 62 Ca 0.05 -0.49 -0.01 0.00 -1.72 0.00 0.00 55.73 53.56 2bs6 s ARG 62 Cb -0.06 -1.81 -0.00 0.00 -0.45 0.00 0.00 34.95 32.63 2bs6 s ARG 62 CO -0.00 -0.11 -0.13 0.08 -0.68 0.00 0.00 175.30 174.46 2bs6 s VAL 63 N 1.14 2.85 -0.39 3.52 1.01 -0.23 -1.67 120.40 126.63 2bs6 s VAL 63 Ca -0.04 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.13 2bs6 s VAL 63 Cb -0.14 -2.22 0.04 0.00 0.00 0.00 0.00 36.38 34.06 2bs6 s VAL 63 CO -0.03 0.50 0.22 -0.31 0.00 0.00 0.00 175.10 175.48 2bs6 s TYR 64 N 0.84 3.27 -0.22 5.22 2.02 0.23 -0.52 117.35 128.18 2bs6 s TYR 64 Ca -0.04 -1.15 -0.06 0.00 -0.37 0.00 0.00 57.07 55.45 2bs6 s TYR 64 Cb -0.15 -2.57 -0.03 0.00 -0.40 0.00 0.00 41.96 38.81 2bs6 s TYR 64 CO 0.00 -0.71 0.03 0.00 -1.57 0.00 0.00 175.55 173.30 2bs6 s ALA 65 N 1.51 3.11 -0.03 3.71 0.00 -0.08 -1.83 121.76 128.14 2bs6 s ALA 65 Ca 0.02 -1.03 0.06 0.00 0.00 0.00 0.00 51.96 51.01 2bs6 s ALA 65 Cb -0.20 -1.90 -0.01 0.00 0.00 0.00 0.00 23.12 21.00 2bs6 s ALA 65 CO 0.05 -0.26 -0.21 -1.12 0.00 0.00 0.00 175.76 174.22 2bs6 s SER 66 N 1.20 2.59 -0.05 0.00 0.01 -0.31 0.16 113.70 117.29 2bs6 s SER 66 Ca 0.04 -0.41 0.01 0.00 1.31 0.00 0.00 55.95 56.90 2bs6 s SER 66 Cb -0.14 -0.51 0.02 0.00 0.21 0.00 0.00 66.02 65.60 2bs6 s SER 66 CO 0.02 0.23 -0.06 -0.89 0.41 0.00 0.00 173.24 172.95 2bs6 s THR 67 N -0.28 0.66 0.00 1.44 2.01 -0.50 -0.47 115.64 118.51 2bs6 s THR 67 Ca 0.02 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.82 2bs6 s THR 67 Cb -0.11 -0.66 0.00 0.00 0.01 0.00 0.00 72.50 71.74 2bs6 s THR 67 CO 0.01 0.25 0.00 0.61 -0.69 0.00 0.00 174.62 174.80 2bs6 n GLY 68 N 3.95 3.90 1.21 4.40 0.00 -1.26 -1.02 105.19 116.37 2bs6 n GLY 68 Ca -0.25 0.03 0.10 0.00 0.00 0.00 0.00 46.02 45.90 2bs6 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bs6 n THR 69 N 0.00 1.19 -3.76 2.61 -2.24 -1.26 -4.95 114.28 105.88 2bs6 n THR 69 Ca 0.00 -1.06 -0.36 0.00 -2.27 0.00 0.00 64.05 60.36 2bs6 n THR 69 Cb 0.00 0.41 -0.10 0.00 -2.10 0.00 0.00 70.33 68.54 2bs6 n THR 69 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2bs6 s THR 70 N -1.21 5.13 -0.16 4.28 2.01 -0.19 -4.91 115.64 120.59 2bs6 s THR 70 Ca 0.43 0.10 -0.01 0.00 0.31 0.00 0.00 61.69 62.52 2bs6 s THR 70 Cb 0.24 -3.37 -0.01 0.00 0.01 0.00 0.00 72.50 69.37 2bs6 s THR 70 CO 0.27 0.38 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.57 2bs6 s THR 71 N 0.86 2.93 -0.17 -0.82 2.01 -1.26 -1.40 115.64 117.78 2bs6 s THR 71 Ca 0.06 -0.68 -0.06 0.00 0.31 0.00 0.00 61.69 61.32 2bs6 s THR 71 Cb -0.13 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 2bs6 s THR 71 CO 0.03 0.50 0.02 -0.89 -0.69 0.00 0.00 174.62 173.59 2bs6 s THR 72 N 0.76 4.42 -0.23 -0.82 2.01 0.12 -4.36 115.64 117.55 2bs6 s THR 72 Ca -0.05 -0.17 -0.18 0.00 0.31 0.00 0.00 61.69 61.60 2bs6 s THR 72 Cb -0.15 -2.97 -0.03 0.00 0.01 0.00 0.00 72.50 69.36 2bs6 s THR 72 CO 0.01 0.47 0.51 -0.70 -0.69 0.00 0.00 174.62 174.22 2bs6 s GLU 73 N 0.39 4.13 -0.13 4.92 2.12 -1.26 -0.90 118.70 127.96 2bs6 s GLU 73 Ca 0.00 0.35 -0.04 0.00 0.36 0.00 0.00 54.97 55.64 2bs6 s GLU 73 Cb -0.13 -3.61 -0.03 0.00 0.26 0.00 0.00 34.13 30.62 2bs6 s GLU 73 CO 0.01 -0.24 0.01 -1.58 -0.54 0.00 0.00 175.26 172.92 2bs6 s TRP 74 N 1.95 3.15 -0.11 5.30 0.52 0.32 -1.08 118.94 128.99 2bs6 s TRP 74 Ca 0.22 0.01 0.03 0.00 0.02 0.00 0.00 56.10 56.38 2bs6 s TRP 74 Cb -0.15 -1.92 -0.00 0.00 -1.15 0.00 0.00 33.47 30.24 2bs6 s TRP 74 CO 0.09 0.23 -0.21 0.00 0.02 0.00 0.00 176.95 177.08 2bs6 s TRP 76 N 0.43 2.75 -0.10 0.00 -0.11 -0.23 -1.73 118.94 119.95 2bs6 s TRP 76 Ca -0.15 -1.43 0.14 0.00 1.22 0.00 0.00 56.10 55.87 2bs6 s TRP 76 Cb -0.17 -1.89 0.28 0.00 -1.50 0.00 0.00 33.47 30.19 2bs6 s TRP 76 CO 0.06 -0.69 1.14 0.41 -4.62 0.00 0.00 176.95 173.26 2bs6 n GLY 77 N 4.36 3.36 0.00 5.86 0.00 -1.26 -1.23 105.19 116.28 2bs6 n GLY 77 Ca -0.20 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 44.93 2bs6 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bs6 n GLY 78 N -0.73 0.92 0.02 -0.02 0.00 -1.26 -4.95 105.19 99.17 2bs6 n GLY 78 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.14 2bs6 n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bs6 n ASN 79 N 0.00 1.35 0.00 1.61 3.02 -1.26 -5.11 115.26 114.87 2bs6 n ASN 79 Ca 0.00 -1.75 0.00 0.00 -0.03 0.00 0.00 54.58 52.80 2bs6 n ASN 79 Cb 0.00 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 2bs6 n ASN 79 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bs6 n GLY 80 N -0.38 2.31 3.61 7.41 0.00 -1.26 -5.08 105.19 111.80 2bs6 n GLY 80 Ca 0.01 -2.03 -0.36 0.00 0.00 0.00 0.00 46.02 43.64 2bs6 n GLY 80 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2bs6 s TRP 81 N -1.72 3.24 0.06 1.61 0.52 -1.26 -4.16 118.94 117.23 2bs6 s TRP 81 Ca 0.00 0.05 0.05 0.00 0.02 0.00 0.00 56.10 56.22 2bs6 s TRP 81 Cb 0.00 -2.21 -0.03 0.00 -1.15 0.00 0.00 33.47 30.08 2bs6 s TRP 81 CO 0.00 -0.00 -0.15 0.95 0.02 0.00 0.00 176.95 177.77 2bs6 s THR 82 N 1.00 1.17 0.07 2.01 -4.23 -0.70 -4.91 115.64 110.05 2bs6 s THR 82 Ca 0.06 -1.17 -0.20 0.00 -1.18 0.00 0.00 61.69 59.19 2bs6 s THR 82 Cb -0.14 -1.09 -0.07 0.00 1.34 0.00 0.00 72.50 72.55 2bs6 s THR 82 CO 0.04 -0.09 0.60 -1.59 -0.54 0.00 0.00 174.62 173.04 2bs6 s LYS 83 N -1.45 4.27 0.67 3.99 -2.85 -1.26 -0.35 119.74 122.75 2bs6 s LYS 83 Ca 0.01 0.79 -0.01 0.00 -1.00 0.00 0.00 55.97 55.76 2bs6 s LYS 83 Cb -0.09 -3.26 0.13 0.00 -2.06 0.00 0.00 37.83 32.56 2bs6 s LYS 83 CO 0.02 0.59 0.91 -1.13 0.10 0.00 0.00 175.35 175.84 2bs6 n SER 84 N 1.87 1.14 -0.25 0.03 3.41 -0.24 -4.97 113.62 114.61 2bs6 n SER 84 Ca -0.09 -1.98 0.09 0.00 -0.26 0.00 0.00 58.87 56.63 2bs6 n SER 84 Cb 0.50 -0.60 0.42 0.00 -0.26 0.00 0.00 64.21 64.28 2bs6 n SER 84 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bs6 n ALA 85 N -2.97 2.56 -1.60 7.33 0.00 -1.26 -4.70 120.51 119.86 2bs6 n ALA 85 Ca -0.15 -0.29 -0.55 0.00 0.00 0.00 0.00 53.44 52.44 2bs6 n ALA 85 Cb 0.53 -1.18 -0.07 0.00 0.00 0.00 0.00 19.45 18.73 2bs6 n ALA 85 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2bs6 n TYR 86 N -0.27 1.45 -3.51 0.00 9.36 -1.26 -4.98 117.16 117.95 2bs6 n TYR 86 Ca 0.14 0.73 -0.20 0.00 3.32 0.00 0.00 57.90 61.89 2bs6 n TYR 86 Cb 0.18 -2.30 -0.14 0.00 -0.63 0.00 0.00 39.34 36.45 2bs6 n TYR 86 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 2bs6 s THR 87 N 1.07 -0.27 -1.11 2.97 -4.23 -1.26 -4.54 115.64 108.27 2bs6 s THR 87 Ca 0.89 -0.17 0.00 0.00 -1.18 0.00 0.00 61.69 61.24 2bs6 s THR 87 Cb -1.07 -0.68 0.00 0.00 1.34 0.00 0.00 72.50 72.09 2bs6 s THR 87 CO 0.54 -0.25 0.28 0.00 -0.54 0.00 0.00 174.62 174.64