#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 -0.12 1.03 4.04 1.04 -1.26 -5.15 113.70 113.27 2bs6 s SER 2 Ca 0.00 -0.48 -0.12 0.00 0.48 0.00 0.00 55.95 55.83 2bs6 s SER 2 Cb 0.00 0.45 0.21 0.00 0.10 0.00 0.00 66.02 66.78 2bs6 s SER 2 CO 0.00 -0.86 1.07 0.68 0.98 0.00 0.00 173.24 175.12 2bs6 s VAL 3 N -3.85 2.21 -0.07 5.02 -7.23 -1.26 -5.02 120.40 110.21 2bs6 s VAL 3 Ca 0.06 0.07 0.00 0.00 -1.81 0.00 0.00 61.98 60.30 2bs6 s VAL 3 Cb 0.02 -2.31 0.02 0.00 0.56 0.00 0.00 36.38 34.67 2bs6 s VAL 3 CO -0.09 -0.09 -0.05 -1.58 -0.31 0.00 0.00 175.10 172.97 2bs6 s GLN 4 N -4.70 1.09 0.27 4.82 -0.44 -0.85 -5.00 119.66 114.85 2bs6 s GLN 4 Ca 0.66 -0.14 0.09 0.00 -2.50 0.00 0.00 55.36 53.47 2bs6 s GLN 4 Cb -0.22 -1.14 -0.04 0.00 -1.64 0.00 0.00 33.01 29.97 2bs6 s GLN 4 CO 0.60 -0.16 0.00 0.95 0.50 0.00 0.00 175.29 177.19 2bs6 s THR 5 N 1.30 3.45 0.02 -0.34 -4.23 -1.26 -0.60 115.64 113.98 2bs6 s THR 5 Ca -0.04 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 2bs6 s THR 5 Cb -0.14 -2.85 -0.02 0.00 1.34 0.00 0.00 72.50 70.83 2bs6 s THR 5 CO -0.02 -0.37 -0.04 0.00 -0.54 0.00 0.00 174.62 173.65 2bs6 s ALA 6 N -2.33 0.18 0.02 3.99 0.00 -0.10 -4.97 121.76 118.55 2bs6 s ALA 6 Ca 0.32 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.71 2bs6 s ALA 6 Cb -0.06 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 2bs6 s ALA 6 CO 0.20 -0.12 -0.04 0.00 0.00 0.00 0.00 175.76 175.80 2bs6 s ALA 7 N -1.33 0.20 0.05 0.00 0.00 -1.26 -0.38 121.76 119.04 2bs6 s ALA 7 Ca -0.14 -0.53 -0.03 0.00 0.00 0.00 0.00 51.96 51.27 2bs6 s ALA 7 Cb -0.09 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 2bs6 s ALA 7 CO -0.01 -0.10 0.02 -0.08 0.00 0.00 0.00 175.76 175.59 2bs6 s THR 8 N -1.20 0.19 0.10 0.00 -1.32 -0.61 -4.89 115.64 107.91 2bs6 s THR 8 Ca -0.12 -1.52 -0.12 0.00 -1.21 0.00 0.00 61.69 58.71 2bs6 s THR 8 Cb -0.08 -1.27 0.02 0.00 -1.51 0.00 0.00 72.50 69.66 2bs6 s THR 8 CO -0.01 -0.84 0.29 -0.94 -2.21 0.00 0.00 174.62 170.92 2bs6 s SER 9 N -2.64 -0.06 0.12 8.08 1.04 -1.26 -0.82 113.70 118.17 2bs6 s SER 9 Ca 0.02 -0.48 -0.16 0.00 0.48 0.00 0.00 55.95 55.82 2bs6 s SER 9 Cb 0.04 0.40 0.03 0.00 0.10 0.00 0.00 66.02 66.60 2bs6 s SER 9 CO -0.08 -0.78 0.39 -1.66 0.98 0.00 0.00 173.24 172.08 2bs6 s TRP 10 N -3.78 -0.19 0.00 5.02 -2.14 -0.41 -4.98 118.94 112.46 2bs6 s TRP 10 Ca 0.04 -0.13 0.00 0.00 2.66 0.00 0.00 56.10 58.66 2bs6 s TRP 10 Cb 0.03 0.24 0.00 0.00 -3.10 0.00 0.00 33.47 30.65 2bs6 s TRP 10 CO -0.11 -0.69 0.00 0.41 -2.66 0.00 0.00 176.95 173.89 2bs6 n GLY 11 N -0.21 0.40 0.24 3.67 0.00 -1.26 -1.45 105.19 106.58 2bs6 n GLY 11 Ca -0.16 -0.87 0.05 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.58 0.00 0.03 2.61 -2.24 -1.26 -4.63 114.28 108.21 2bs6 n THR 12 Ca 0.00 -0.41 -0.10 0.00 -2.27 0.00 0.00 64.05 61.26 2bs6 n THR 12 Cb 0.00 1.13 -0.05 0.00 -2.10 0.00 0.00 70.33 69.31 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 1.20 0.75 -1.82 2.28 2.07 -1.98 -3.48 116.25 115.27 2bs6 h VAL 13 Ca 0.00 0.00 -0.48 0.00 0.82 0.00 0.00 66.70 67.04 2bs6 h VAL 13 Cb 0.34 0.75 0.08 0.00 -1.52 0.00 0.00 31.29 30.94 2bs6 h VAL 13 CO 0.00 0.00 0.09 -2.16 0.02 0.00 0.00 177.57 175.52 2bs6 s PRO 14 N -6.17 1.62 0.01 1.57 0.04 -1.26 -4.90 135.00 125.91 2bs6 s PRO 14 Ca -0.14 -1.28 -0.11 0.00 0.04 0.00 0.00 61.00 59.51 2bs6 s PRO 14 Cb 0.09 -2.36 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 2bs6 s PRO 14 CO 0.67 -1.49 0.35 -1.12 0.04 0.00 0.00 177.00 175.45 2bs6 s SER 15 N -4.79 6.65 0.00 6.66 0.01 -0.53 -4.06 113.70 117.65 2bs6 s SER 15 Ca 0.67 0.78 0.04 0.00 1.31 0.00 0.00 55.95 58.75 2bs6 s SER 15 Cb -0.04 -2.18 -0.01 0.00 0.21 0.00 0.00 66.02 64.00 2bs6 s SER 15 CO 0.44 0.28 -0.12 -0.63 0.41 0.00 0.00 173.24 173.63 2bs6 s ILE 16 N -1.21 0.92 -0.08 1.44 1.01 0.04 -1.29 121.20 122.04 2bs6 s ILE 16 Ca 0.26 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.33 2bs6 s ILE 16 Cb -0.15 -0.79 0.01 0.00 0.01 0.00 0.00 42.46 41.54 2bs6 s ILE 16 CO 0.14 0.18 -0.15 -0.13 0.00 0.00 0.00 174.94 174.99 2bs6 s ARG 17 N -0.47 2.03 -0.19 2.79 1.81 0.00 -1.08 118.95 123.85 2bs6 s ARG 17 Ca 0.03 -0.52 -0.01 0.00 -1.72 0.00 0.00 55.73 53.51 2bs6 s ARG 17 Cb -0.05 -1.67 -0.00 0.00 -0.45 0.00 0.00 34.95 32.78 2bs6 s ARG 17 CO -0.00 0.02 -0.11 0.08 -0.68 0.00 0.00 175.30 174.61 2bs6 s VAL 18 N 0.72 2.90 -0.14 3.52 1.01 0.35 -1.57 120.40 127.18 2bs6 s VAL 18 Ca -0.13 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.12 2bs6 s VAL 18 Cb -0.16 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2bs6 s VAL 18 CO 0.03 0.48 0.06 -0.31 0.00 0.00 0.00 175.10 175.37 2bs6 s TYR 19 N 1.15 3.31 -0.11 5.22 2.02 0.49 -0.67 117.35 128.76 2bs6 s TYR 19 Ca 0.01 0.21 0.01 0.00 -0.37 0.00 0.00 57.07 56.93 2bs6 s TYR 19 Cb -0.14 -1.97 0.02 0.00 -0.40 0.00 0.00 41.96 39.46 2bs6 s TYR 19 CO -0.04 0.37 -0.12 0.99 -1.57 0.00 0.00 175.55 175.18 2bs6 s THR 20 N -0.27 1.31 -0.19 -0.71 2.01 -0.37 -0.93 115.64 116.49 2bs6 s THR 20 Ca 0.08 -0.51 -0.22 0.00 0.31 0.00 0.00 61.69 61.36 2bs6 s THR 20 Cb -0.12 -1.23 -0.02 0.00 0.01 0.00 0.00 72.50 71.13 2bs6 s THR 20 CO 0.02 0.41 0.68 0.00 -0.69 0.00 0.00 174.62 175.04 2bs6 s ALA 21 N 1.24 3.54 -0.21 7.40 0.00 0.24 -1.38 121.76 132.58 2bs6 s ALA 21 Ca -0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 51.96 51.71 2bs6 s ALA 21 Cb -0.14 -3.04 0.10 0.00 0.00 0.00 0.00 23.12 20.04 2bs6 s ALA 21 CO -0.04 -0.58 0.26 1.21 0.00 0.00 0.00 175.76 176.60 2bs6 s ASN 22 N 1.19 1.11 -1.48 0.00 3.84 -0.11 -2.00 114.94 117.49 2bs6 s ASN 22 Ca 0.31 -0.11 -0.09 0.00 0.21 0.00 0.00 52.86 53.18 2bs6 s ASN 22 Cb -0.16 0.54 0.06 0.00 -0.55 0.00 0.00 41.25 41.15 2bs6 s ASN 22 CO 0.11 -0.32 0.83 -3.20 -2.79 0.00 0.00 177.10 171.73 2bs6 n ASN 23 N 5.33 -3.23 0.00 -4.21 5.15 -1.26 -1.86 115.26 115.17 2bs6 n ASN 23 Ca -0.05 -0.83 0.00 0.00 -0.60 0.00 0.00 54.58 53.09 2bs6 n ASN 23 Cb 0.50 -3.74 0.00 0.00 -0.53 0.00 0.00 39.78 36.00 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 -1.67 0.70 3.15 8.20 0.00 -1.25 -5.02 105.19 109.30 2bs6 n GLY 24 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.14 1.70 -0.19 1.61 -0.14 -0.78 -0.92 119.74 120.89 2bs6 s LYS 25 Ca 0.00 -0.63 -0.06 0.00 -1.36 0.00 0.00 55.97 53.92 2bs6 s LYS 25 Cb 0.00 -1.52 -0.04 0.00 -1.68 0.00 0.00 37.83 34.59 2bs6 s LYS 25 CO 0.00 0.29 0.04 0.42 -0.76 0.00 0.00 175.35 175.34 2bs6 s ILE 26 N -0.11 4.50 0.41 2.17 1.01 0.69 -0.93 121.20 128.93 2bs6 s ILE 26 Ca -0.00 -0.14 0.04 0.00 0.00 0.00 0.00 60.65 60.55 2bs6 s ILE 26 Cb -0.10 -3.02 -0.05 0.00 0.01 0.00 0.00 42.46 39.29 2bs6 s ILE 26 CO 0.01 0.45 0.05 0.42 0.00 0.00 0.00 174.94 175.87 2bs6 s THR 27 N 0.56 1.29 -0.03 2.92 -4.23 -0.48 -1.97 115.64 113.71 2bs6 s THR 27 Ca 0.02 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.53 2bs6 s THR 27 Cb -0.13 -2.62 0.02 0.00 1.34 0.00 0.00 72.50 71.10 2bs6 s THR 27 CO 0.02 0.00 -0.02 -0.70 -0.54 0.00 0.00 174.62 173.37 2bs6 s GLU 28 N -3.80 0.45 -0.04 3.99 2.12 -1.22 -1.23 118.70 118.96 2bs6 s GLU 28 Ca 0.27 -0.04 0.05 0.00 0.36 0.00 0.00 54.97 55.61 2bs6 s GLU 28 Cb 0.06 -0.53 -0.02 0.00 0.26 0.00 0.00 34.13 33.90 2bs6 s GLU 28 CO 0.13 -0.06 -0.19 1.03 -0.54 0.00 0.00 175.26 175.64 2bs6 s ARG 29 N 0.68 2.39 -0.01 4.30 1.81 0.16 -0.63 118.95 127.65 2bs6 s ARG 29 Ca -0.07 -0.79 0.04 0.00 -1.72 0.00 0.00 55.73 53.19 2bs6 s ARG 29 Cb -0.11 -2.25 -0.01 0.00 -0.45 0.00 0.00 34.95 32.13 2bs6 s ARG 29 CO -0.01 0.58 -0.14 0.00 -0.68 0.00 0.00 175.30 175.05 2bs6 s TRP 31 N -0.37 1.49 -0.09 0.00 -0.11 -0.24 -1.34 118.94 118.29 2bs6 s TRP 31 Ca 0.05 -0.62 0.12 0.00 1.22 0.00 0.00 56.10 56.88 2bs6 s TRP 31 Cb -0.06 -1.13 0.21 0.00 -1.50 0.00 0.00 33.47 30.99 2bs6 s TRP 31 CO -0.00 -0.35 1.11 -0.25 -4.62 0.00 0.00 176.95 172.83 2bs6 n ASP 32 N 4.13 1.46 0.00 5.86 8.00 -1.26 -0.78 116.55 133.96 2bs6 n ASP 32 Ca -0.20 -2.74 0.00 0.00 0.71 0.00 0.00 54.79 52.56 2bs6 n ASP 32 Cb 0.51 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 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 -0.85 1.07 2.77 0.44 0.00 -1.26 -4.88 105.19 102.48 2bs6 n GLY 33 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.76 1.50 0.00 1.61 4.81 -1.26 -5.11 118.16 118.95 2bs6 n LYS 34 Ca 0.00 -3.19 0.00 0.00 -0.87 0.00 0.00 58.31 54.25 2bs6 n LYS 34 Cb 0.00 -1.28 0.00 0.00 0.02 0.00 0.00 35.03 33.77 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 -0.51 2.57 3.74 3.14 0.00 -1.26 -5.03 105.19 107.85 2bs6 n GLY 35 Ca 0.05 -1.83 -0.40 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.45 3.72 0.11 1.61 0.52 -1.26 -4.33 118.94 116.86 2bs6 s TRP 36 Ca 0.00 1.44 0.02 0.00 0.02 0.00 0.00 56.10 57.58 2bs6 s TRP 36 Cb 0.00 -2.81 -0.04 0.00 -1.15 0.00 0.00 33.47 29.47 2bs6 s TRP 36 CO 0.00 0.26 -0.05 1.52 0.02 0.00 0.00 176.95 178.69 2bs6 s TYR 37 N 0.04 0.92 -0.16 -1.98 -0.85 -0.45 -4.93 117.35 109.94 2bs6 s TYR 37 Ca 0.38 -0.94 -0.29 0.00 -0.52 0.00 0.00 57.07 55.70 2bs6 s TYR 37 Cb -0.20 -0.54 -0.00 0.00 0.38 0.00 0.00 41.96 41.60 2bs6 s TYR 37 CO 0.22 -0.17 1.07 0.99 -1.52 0.00 0.00 175.55 176.14 2bs6 s THR 38 N -3.65 4.63 0.84 -3.49 2.01 -1.26 -0.67 115.64 114.06 2bs6 s THR 38 Ca 0.14 1.94 -0.12 0.00 0.31 0.00 0.00 61.69 63.95 2bs6 s THR 38 Cb 0.06 -4.25 0.12 0.00 0.01 0.00 0.00 72.50 68.43 2bs6 s THR 38 CO -0.04 -0.09 1.20 -0.83 -0.69 0.00 0.00 174.62 174.17 2bs6 s GLY 39 N 1.28 1.67 0.50 4.40 0.00 0.20 -4.93 107.32 110.43 2bs6 s GLY 39 Ca 0.48 -0.88 0.26 0.00 0.00 0.00 0.00 44.72 44.58 2bs6 s GLY 39 CO 0.13 -0.31 1.99 0.00 0.00 0.00 0.00 173.10 174.90 2bs6 h ALA 40 N -1.18 1.18 -2.26 3.20 0.00 -1.96 -3.44 119.26 114.81 2bs6 h ALA 40 Ca -0.45 -0.14 -0.55 0.00 0.00 0.00 0.00 54.91 53.76 2bs6 h ALA 40 Cb 1.30 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2bs6 h ALA 40 CO 0.56 0.20 0.87 0.12 0.00 0.00 0.00 179.25 181.00 2bs6 s PHE 41 N -4.00 2.77 -0.27 0.00 5.36 -1.26 -4.97 117.98 115.61 2bs6 s PHE 41 Ca -0.02 0.86 -0.00 0.00 -0.96 0.00 0.00 56.93 56.81 2bs6 s PHE 41 Cb 0.12 -3.60 0.15 0.00 -0.34 0.00 0.00 43.02 39.35 2bs6 s PHE 41 CO 0.60 -2.19 0.42 1.21 -1.46 0.00 0.00 175.22 173.81 2bs6 s ASN 42 N 2.07 0.07 0.07 6.13 3.84 -1.26 -3.44 114.94 122.43 2bs6 s ASN 42 Ca 0.60 0.02 -0.11 0.00 0.21 0.00 0.00 52.86 53.58 2bs6 s ASN 42 Cb -0.27 1.25 0.01 0.00 -0.55 0.00 0.00 41.25 41.69 2bs6 s ASN 42 CO 0.22 -0.32 0.24 -1.61 -2.79 0.00 0.00 177.10 172.84 2bs6 s GLU 43 N 2.59 0.81 0.40 0.43 0.41 -0.83 -5.00 118.70 117.51 2bs6 s GLU 43 Ca 0.12 -0.71 -0.25 0.00 -0.41 0.00 0.00 54.97 53.72 2bs6 s GLU 43 Cb -0.14 0.34 -0.08 0.00 -1.78 0.00 0.00 34.13 32.47 2bs6 s GLU 43 CO -0.23 -0.26 1.14 -1.25 -0.49 0.00 0.00 175.26 174.17 2bs6 s PRO 44 N -3.12 4.07 0.00 0.39 0.04 -1.26 -0.22 135.00 134.90 2bs6 s PRO 44 Ca -0.01 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.79 2bs6 s PRO 44 Cb 0.01 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.91 2bs6 s PRO 44 CO -0.07 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.09 2bs6 n GLY 45 N 0.57 2.00 0.01 0.56 0.00 -0.10 -4.71 105.19 103.52 2bs6 n GLY 45 Ca 0.05 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 0.68 -3.79 1.61 8.00 0.92 -2.84 116.55 121.13 2bs6 n ASP 46 Ca 0.00 -0.46 -0.13 0.00 0.71 0.00 0.00 54.79 54.92 2bs6 n ASP 46 Cb 0.00 0.68 -0.10 0.00 -0.02 0.00 0.00 41.12 41.68 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 -3.33 -0.21 -0.00 -2.24 3.84 -0.85 -4.90 114.94 107.25 2bs6 s ASN 47 Ca 0.07 0.32 0.01 0.00 0.21 0.00 0.00 52.86 53.47 2bs6 s ASN 47 Cb 0.16 0.44 0.00 0.00 -0.55 0.00 0.00 41.25 41.30 2bs6 s ASN 47 CO 0.79 -0.22 -0.02 0.54 -2.79 0.00 0.00 177.10 175.40 2bs6 s VAL 48 N -0.45 0.15 0.20 -5.21 0.11 -1.26 -0.60 120.40 113.34 2bs6 s VAL 48 Ca -0.06 -0.07 0.02 0.00 -2.93 0.00 0.00 61.98 58.94 2bs6 s VAL 48 Cb -0.04 -0.15 -0.05 0.00 -1.53 0.00 0.00 36.38 34.62 2bs6 s VAL 48 CO 0.01 0.05 0.02 -0.94 -3.33 0.00 0.00 175.10 170.92 2bs6 s SER 49 N 0.03 1.28 0.01 3.54 1.04 -0.66 -4.56 113.70 114.39 2bs6 s SER 49 Ca 0.00 -1.23 -0.16 0.00 0.48 0.00 0.00 55.95 55.04 2bs6 s SER 49 Cb -0.02 0.12 0.03 0.00 0.10 0.00 0.00 66.02 66.25 2bs6 s SER 49 CO -0.00 -0.60 0.34 0.54 0.98 0.00 0.00 173.24 174.50 2bs6 s VAL 50 N -3.65 0.06 0.04 5.02 0.11 -1.26 -0.72 120.40 120.00 2bs6 s VAL 50 Ca 0.28 -0.52 -0.10 0.00 -2.93 0.00 0.00 61.98 58.71 2bs6 s VAL 50 Cb 0.06 -0.80 0.01 0.00 -1.53 0.00 0.00 36.38 34.12 2bs6 s VAL 50 CO 0.07 -0.29 0.21 0.28 -3.33 0.00 0.00 175.10 172.05 2bs6 s THR 51 N -1.93 0.10 0.07 5.04 -1.32 -0.60 -4.90 115.64 112.11 2bs6 s THR 51 Ca -0.09 -0.84 -0.10 0.00 -1.21 0.00 0.00 61.69 59.44 2bs6 s THR 51 Cb -0.03 -0.90 0.01 0.00 -1.51 0.00 0.00 72.50 70.07 2bs6 s THR 51 CO 0.01 -0.47 0.22 -0.94 -2.21 0.00 0.00 174.62 171.23 2bs6 s SER 52 N -2.05 0.04 -0.01 8.08 1.04 -1.26 -1.21 113.70 118.34 2bs6 s SER 52 Ca -0.05 -0.47 -0.10 0.00 0.48 0.00 0.00 55.95 55.81 2bs6 s SER 52 Cb -0.01 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.45 2bs6 s SER 52 CO -0.03 -0.66 0.19 -1.66 0.98 0.00 0.00 173.24 172.06 2bs6 s TRP 53 N -3.20 -0.04 0.03 5.02 -2.14 -0.43 -5.00 118.94 113.17 2bs6 s TRP 53 Ca -0.00 0.03 -0.13 0.00 2.66 0.00 0.00 56.10 58.67 2bs6 s TRP 53 Cb 0.02 0.00 -0.06 0.00 -3.10 0.00 0.00 33.47 30.33 2bs6 s TRP 53 CO -0.07 -0.31 0.39 -0.51 -2.66 0.00 0.00 176.95 173.79 2bs6 s LEU 54 N -1.27 4.42 -0.30 -4.66 1.43 -1.26 -1.07 118.68 115.97 2bs6 s LEU 54 Ca -0.13 0.88 0.03 0.00 -1.03 0.00 0.00 54.13 53.87 2bs6 s LEU 54 Cb -0.06 -2.71 0.08 0.00 0.03 0.00 0.00 46.19 43.53 2bs6 s LEU 54 CO 0.02 0.27 0.01 -0.69 0.23 0.00 0.00 176.35 176.19 2bs6 s VAL 55 N -1.20 1.92 0.00 -1.59 1.01 -0.33 -4.98 120.40 115.23 2bs6 s VAL 55 Ca 0.27 -1.87 0.00 0.00 0.00 0.00 0.00 61.98 60.38 2bs6 s VAL 55 Cb -0.15 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.93 2bs6 s VAL 55 CO 0.15 -0.41 0.00 0.61 0.00 0.00 0.00 175.10 175.45 2bs6 n GLY 56 N 4.45 4.03 1.11 4.51 0.00 -1.26 -1.41 105.19 116.61 2bs6 n GLY 56 Ca -0.03 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.23 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 7.50 3.30 -4.67 1.61 3.41 -1.26 -4.92 113.62 118.60 2bs6 n SER 57 Ca 0.00 -1.97 -0.37 0.00 -0.26 0.00 0.00 58.87 56.27 2bs6 n SER 57 Cb 0.00 -0.24 -0.09 0.00 -0.26 0.00 0.00 64.21 63.62 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 -1.52 3.59 0.14 7.33 0.00 -0.50 -5.06 121.76 125.74 2bs6 s ALA 58 Ca 0.38 -0.72 -0.23 0.00 0.00 0.00 0.00 51.96 51.39 2bs6 s ALA 58 Cb 0.22 -2.44 -0.08 0.00 0.00 0.00 0.00 23.12 20.82 2bs6 s ALA 58 CO 0.31 -0.21 0.71 -1.50 0.00 0.00 0.00 175.76 175.07 2bs6 s ILE 59 N 1.11 4.49 -0.08 0.00 1.10 -1.26 -1.19 121.20 125.38 2bs6 s ILE 59 Ca 0.12 1.53 0.04 0.00 -0.51 0.00 0.00 60.65 61.84 2bs6 s ILE 59 Cb -0.14 -4.05 -0.00 0.00 0.15 0.00 0.00 42.46 38.42 2bs6 s ILE 59 CO 0.06 0.52 -0.22 -1.00 -2.11 0.00 0.00 174.94 172.18 2bs6 s HIS 60 N -1.16 2.31 -0.02 3.50 3.76 -0.24 -4.34 115.29 119.11 2bs6 s HIS 60 Ca 0.34 -0.83 0.04 0.00 -0.15 0.00 0.00 55.06 54.45 2bs6 s HIS 60 Cb -0.22 -1.54 -0.01 0.00 1.11 0.00 0.00 32.58 31.92 2bs6 s HIS 60 CO 0.24 -0.32 -0.13 0.42 -0.85 0.00 0.00 174.74 174.10 2bs6 s ILE 61 N 0.19 1.03 -0.13 0.60 1.01 -0.24 -1.31 121.20 122.36 2bs6 s ILE 61 Ca -0.12 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 59.99 2bs6 s ILE 61 Cb -0.16 -0.87 0.02 0.00 0.01 0.00 0.00 42.46 41.46 2bs6 s ILE 61 CO 0.06 0.30 -0.16 -0.13 0.00 0.00 0.00 174.94 175.01 2bs6 s ARG 62 N -0.21 2.39 -0.15 2.79 1.81 -0.35 -1.11 118.95 124.12 2bs6 s ARG 62 Ca 0.03 -0.61 -0.02 0.00 -1.72 0.00 0.00 55.73 53.41 2bs6 s ARG 62 Cb -0.06 -2.09 -0.02 0.00 -0.45 0.00 0.00 34.95 32.33 2bs6 s ARG 62 CO -0.00 -0.14 -0.07 0.08 -0.68 0.00 0.00 175.30 174.48 2bs6 s VAL 63 N 1.21 3.53 -0.33 3.52 1.01 -0.07 -1.55 120.40 127.72 2bs6 s VAL 63 Ca -0.01 -0.48 -0.08 0.00 0.00 0.00 0.00 61.98 61.41 2bs6 s VAL 63 Cb -0.14 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 33.73 2bs6 s VAL 63 CO -0.06 0.50 0.12 -0.31 0.00 0.00 0.00 175.10 175.35 2bs6 s TYR 64 N 0.48 3.21 -0.21 5.22 2.02 0.10 -0.43 117.35 127.74 2bs6 s TYR 64 Ca -0.06 -1.11 -0.05 0.00 -0.37 0.00 0.00 57.07 55.49 2bs6 s TYR 64 Cb -0.15 -2.31 -0.02 0.00 -0.40 0.00 0.00 41.96 39.08 2bs6 s TYR 64 CO 0.03 -0.64 -0.01 0.00 -1.57 0.00 0.00 175.55 173.36 2bs6 s ALA 65 N 1.48 2.95 -0.03 3.71 0.00 -0.23 -1.65 121.76 128.00 2bs6 s ALA 65 Ca 0.01 -1.07 0.07 0.00 0.00 0.00 0.00 51.96 50.97 2bs6 s ALA 65 Cb -0.18 -1.76 -0.02 0.00 0.00 0.00 0.00 23.12 21.15 2bs6 s ALA 65 CO 0.04 -0.28 -0.24 -1.12 0.00 0.00 0.00 175.76 174.16 2bs6 s SER 66 N 1.23 3.17 -0.04 0.00 0.01 0.23 -0.06 113.70 118.24 2bs6 s SER 66 Ca 0.03 -0.45 0.02 0.00 1.31 0.00 0.00 55.95 56.86 2bs6 s SER 66 Cb -0.15 -0.50 0.01 0.00 0.21 0.00 0.00 66.02 65.60 2bs6 s SER 66 CO 0.00 0.31 -0.06 -0.89 0.41 0.00 0.00 173.24 173.01 2bs6 s THR 67 N -0.53 0.64 0.00 1.44 2.01 -0.71 -0.05 115.64 118.44 2bs6 s THR 67 Ca 0.07 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 61.85 2bs6 s THR 67 Cb -0.11 -0.62 0.00 0.00 0.01 0.00 0.00 72.50 71.78 2bs6 s THR 67 CO 0.00 0.23 0.00 0.61 -0.69 0.00 0.00 174.62 174.77 2bs6 n GLY 68 N 3.75 3.74 1.10 4.40 0.00 -1.26 -1.15 105.19 115.78 2bs6 n GLY 68 Ca -0.23 0.04 0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 1.03 -3.63 2.61 -2.24 -1.26 -4.94 114.28 105.85 2bs6 n THR 69 Ca 0.00 -1.01 -0.38 0.00 -2.27 0.00 0.00 64.05 60.39 2bs6 n THR 69 Cb 0.00 0.48 -0.11 0.00 -2.10 0.00 0.00 70.33 68.60 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 -1.04 5.08 -0.16 4.28 2.01 -0.30 -4.83 115.64 120.70 2bs6 s THR 70 Ca 0.40 0.09 -0.03 0.00 0.31 0.00 0.00 61.69 62.46 2bs6 s THR 70 Cb 0.21 -3.41 -0.02 0.00 0.01 0.00 0.00 72.50 69.29 2bs6 s THR 70 CO 0.27 0.28 -0.07 -0.89 -0.69 0.00 0.00 174.62 173.52 2bs6 s THR 71 N 1.68 3.57 -0.13 -0.82 2.01 -1.26 -1.73 115.64 118.95 2bs6 s THR 71 Ca 0.07 -0.47 -0.02 0.00 0.31 0.00 0.00 61.69 61.58 2bs6 s THR 71 Cb -0.16 -2.55 -0.02 0.00 0.01 0.00 0.00 72.50 69.77 2bs6 s THR 71 CO 0.09 0.49 -0.07 -0.89 -0.69 0.00 0.00 174.62 173.56 2bs6 s THR 72 N 0.51 3.66 -0.25 -0.82 2.01 0.91 -4.27 115.64 117.39 2bs6 s THR 72 Ca -0.05 -0.45 -0.13 0.00 0.31 0.00 0.00 61.69 61.37 2bs6 s THR 72 Cb -0.15 -2.57 -0.04 0.00 0.01 0.00 0.00 72.50 69.75 2bs6 s THR 72 CO 0.03 0.52 0.28 -0.70 -0.69 0.00 0.00 174.62 174.07 2bs6 s GLU 73 N 0.11 4.05 -0.10 4.92 2.12 -1.26 -1.06 118.70 127.47 2bs6 s GLU 73 Ca -0.02 -0.08 -0.02 0.00 0.36 0.00 0.00 54.97 55.20 2bs6 s GLU 73 Cb -0.14 -3.60 -0.03 0.00 0.26 0.00 0.00 34.13 30.62 2bs6 s GLU 73 CO 0.03 -0.11 -0.03 -1.58 -0.54 0.00 0.00 175.26 173.04 2bs6 s TRP 74 N 1.56 3.07 -0.11 5.30 0.52 0.43 -1.12 118.94 128.59 2bs6 s TRP 74 Ca 0.12 0.01 0.03 0.00 0.02 0.00 0.00 56.10 56.28 2bs6 s TRP 74 Cb -0.15 -1.82 0.01 0.00 -1.15 0.00 0.00 33.47 30.36 2bs6 s TRP 74 CO 0.08 0.29 -0.20 0.00 0.02 0.00 0.00 176.95 177.14 2bs6 s TRP 76 N 0.65 2.74 -0.07 0.00 -0.11 -0.27 -1.73 118.94 120.15 2bs6 s TRP 76 Ca -0.13 -1.15 0.21 0.00 1.22 0.00 0.00 56.10 56.26 2bs6 s TRP 76 Cb -0.16 -1.87 0.43 0.00 -1.50 0.00 0.00 33.47 30.37 2bs6 s TRP 76 CO 0.03 -0.52 1.18 0.41 -4.62 0.00 0.00 176.95 173.43 2bs6 n GLY 77 N 4.07 2.28 0.00 5.86 0.00 -1.26 -1.08 105.19 115.06 2bs6 n GLY 77 Ca -0.19 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.01 0.87 0.00 -0.02 0.00 -1.26 -4.94 105.19 99.83 2bs6 n GLY 78 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 1.29 0.00 1.61 3.02 -1.26 -5.11 115.26 114.81 2bs6 n ASN 79 Ca 0.00 -1.64 0.00 0.00 -0.03 0.00 0.00 54.58 52.91 2bs6 n ASN 79 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 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 -0.32 2.78 3.69 7.41 0.00 -1.26 -5.07 105.19 112.42 2bs6 n GLY 80 Ca 0.00 -2.01 -0.37 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 -2.01 3.38 0.06 1.61 0.52 -1.26 -4.26 118.94 116.98 2bs6 s TRP 81 Ca 0.00 0.44 0.05 0.00 0.02 0.00 0.00 56.10 56.61 2bs6 s TRP 81 Cb 0.00 -2.35 -0.03 0.00 -1.15 0.00 0.00 33.47 29.95 2bs6 s TRP 81 CO 0.00 0.11 -0.13 0.95 0.02 0.00 0.00 176.95 177.90 2bs6 s THR 82 N 0.90 1.01 0.13 2.01 -4.23 -0.70 -4.92 115.64 109.84 2bs6 s THR 82 Ca 0.13 -1.23 -0.23 0.00 -1.18 0.00 0.00 61.69 59.19 2bs6 s THR 82 Cb -0.13 -0.98 -0.07 0.00 1.34 0.00 0.00 72.50 72.65 2bs6 s THR 82 CO 0.04 -0.22 0.69 -1.59 -0.54 0.00 0.00 174.62 173.00 2bs6 s LYS 83 N -1.64 4.41 0.48 3.99 -2.85 -1.26 -0.57 119.74 122.30 2bs6 s LYS 83 Ca -0.03 0.98 -0.01 0.00 -1.00 0.00 0.00 55.97 55.91 2bs6 s LYS 83 Cb -0.10 -3.23 0.10 0.00 -2.06 0.00 0.00 37.83 32.54 2bs6 s LYS 83 CO 0.02 0.59 0.66 -1.13 0.10 0.00 0.00 175.35 175.59 2bs6 n SER 84 N 1.58 0.86 -0.51 0.03 3.41 -0.27 -4.97 113.62 113.74 2bs6 n SER 84 Ca -0.07 -1.73 0.07 0.00 -0.26 0.00 0.00 58.87 56.88 2bs6 n SER 84 Cb 0.50 -0.43 0.25 0.00 -0.26 0.00 0.00 64.21 64.26 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 -2.96 2.49 -1.68 7.33 0.00 -1.26 -4.72 120.51 119.70 2bs6 n ALA 85 Ca -0.11 -0.49 -0.63 0.00 0.00 0.00 0.00 53.44 52.21 2bs6 n ALA 85 Cb 0.39 -1.04 -0.09 0.00 0.00 0.00 0.00 19.45 18.71 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 1.56 -4.23 0.00 9.36 -1.26 -4.96 117.16 117.91 2bs6 n TYR 86 Ca 0.12 0.98 -0.23 0.00 3.32 0.00 0.00 57.90 62.10 2bs6 n TYR 86 Cb 0.27 -2.25 -0.17 0.00 -0.63 0.00 0.00 39.34 36.56 2bs6 n TYR 86 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 2bs6 s THR 87 N 2.30 0.80 0.25 2.97 2.01 -1.26 -4.56 115.64 118.15 2bs6 s THR 87 Ca 0.99 -0.24 -0.31 0.00 0.31 0.00 0.00 61.69 62.44 2bs6 s THR 87 Cb -1.33 -0.79 -0.13 0.00 0.01 0.00 0.00 72.50 70.26 2bs6 s THR 87 CO 0.71 0.29 1.50 0.00 -0.69 0.00 0.00 174.62 176.44 2bs6 n ALA 88 N 4.20 1.72 -0.23 7.40 0.00 -1.26 -5.05 120.51 127.30 2bs6 n ALA 88 Ca -0.21 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2bs6 n ALA 88 Cb 0.51 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.60 2bs6 n ALA 88 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75