#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bf5 s ASN 12 N 0.00 7.38 0.12 1.20 -0.87 -1.26 -0.60 114.94 120.92 2bf5 s ASN 12 Ca 0.00 1.69 0.04 0.00 -1.57 0.00 0.00 52.86 53.01 2bf5 s ASN 12 Cb 0.00 -2.57 -0.04 0.00 -0.02 0.00 0.00 41.25 38.62 2bf5 s ASN 12 CO 0.00 -0.24 -0.09 0.68 -2.57 0.00 0.00 177.10 174.88 2bf5 s VAL 13 N 0.86 0.99 0.00 1.60 -7.23 0.10 -4.63 120.40 112.10 2bf5 s VAL 13 Ca 0.51 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.78 2bf5 s VAL 13 Cb -0.22 -1.66 0.00 0.00 0.56 0.00 0.00 36.38 35.07 2bf5 s VAL 13 CO 0.28 -0.71 0.00 0.61 -0.31 0.00 0.00 175.10 174.97 2bf5 n GLY 14 N 0.08 1.04 3.86 2.32 0.00 -0.37 -1.61 105.19 110.51 2bf5 n GLY 14 Ca -0.12 -1.97 -0.31 0.00 0.00 0.00 0.00 46.02 43.61 2bf5 n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bf5 s PRO 15 N -1.01 3.85 -0.15 1.61 0.04 -1.13 -1.08 135.00 137.14 2bf5 s PRO 15 Ca 0.00 0.66 0.02 0.00 0.04 0.00 0.00 61.00 61.72 2bf5 s PRO 15 Cb 0.00 -2.29 0.01 0.00 0.04 0.00 0.00 34.50 32.26 2bf5 s PRO 15 CO 0.00 -0.12 -0.20 0.42 0.04 0.00 0.00 177.00 177.14 2bf5 s ILE 16 N -2.46 2.22 -0.02 0.56 1.01 -0.18 -1.37 121.20 120.95 2bf5 s ILE 16 Ca 0.54 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 60.31 2bf5 s ILE 16 Cb -0.10 -1.90 -0.01 0.00 0.01 0.00 0.00 42.46 40.46 2bf5 s ILE 16 CO 0.31 0.54 -0.14 -0.63 0.00 0.00 0.00 174.94 175.02 2bf5 s ILE 17 N 0.85 1.12 0.49 2.92 1.01 -0.06 -0.87 121.20 126.64 2bf5 s ILE 17 Ca -0.06 -0.58 -0.24 0.00 0.00 0.00 0.00 60.65 59.78 2bf5 s ILE 17 Cb -0.15 -0.95 -0.07 0.00 0.01 0.00 0.00 42.46 41.30 2bf5 s ILE 17 CO -0.02 0.32 1.38 -0.60 0.00 0.00 0.00 174.94 176.02 2bf5 s ARG 18 N -0.13 3.48 0.17 2.79 3.52 -1.26 -0.77 118.95 126.76 2bf5 s ARG 18 Ca 0.01 2.30 -0.33 0.00 -0.13 0.00 0.00 55.73 57.59 2bf5 s ARG 18 Cb -0.08 -2.49 -0.16 0.00 -1.56 0.00 0.00 34.95 30.67 2bf5 s ARG 18 CO 0.00 -0.94 1.11 0.00 -0.81 0.00 0.00 175.30 174.66 2bf5 n ALA 19 N -0.53 -1.04 0.00 6.12 0.00 -0.46 -4.71 120.51 119.90 2bf5 n ALA 19 Ca 0.07 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.98 2bf5 n ALA 19 Cb 0.43 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.90 2bf5 n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bf5 n GLY 20 N 1.93 -0.19 0.00 0.00 0.00 -1.26 -4.97 105.19 100.70 2bf5 n GLY 20 Ca 0.15 -1.40 0.14 0.00 0.00 0.00 0.00 46.02 44.90 2bf5 n GLY 20 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bf5 n ASP 21 N 0.99 0.02 0.13 1.61 9.92 -1.26 -2.22 116.55 125.73 2bf5 n ASP 21 Ca 0.00 0.50 0.12 0.00 -0.53 0.00 0.00 54.79 54.88 2bf5 n ASP 21 Cb 0.00 -0.51 0.23 0.00 -0.64 0.00 0.00 41.12 40.21 2bf5 n ASP 21 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2bf5 h LEU 22 N 0.00 0.00 0.25 0.64 3.38 -1.93 -3.40 115.31 114.24 2bf5 h LEU 22 Ca 0.00 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2bf5 h LEU 22 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2bf5 h LEU 22 CO 0.00 0.02 -0.12 0.58 0.09 0.00 0.00 178.44 179.01 2bf5 h VAL 23 N 0.00 0.81 -0.49 1.22 2.07 -1.73 -1.66 116.25 116.48 2bf5 h VAL 23 Ca 0.00 -0.52 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 2bf5 h VAL 23 Cb 0.85 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 2bf5 h VAL 23 CO 0.00 0.11 0.16 -0.08 0.02 0.00 0.00 177.57 177.78 2bf5 h GLU 24 N -0.61 0.76 -0.90 1.57 4.57 -1.79 -0.28 114.58 117.91 2bf5 h GLU 24 Ca -0.03 -0.16 0.15 0.00 -1.18 0.00 0.00 59.36 58.13 2bf5 h GLU 24 Cb 0.44 -0.11 -0.09 0.00 -0.16 0.00 0.00 28.75 28.82 2bf5 h GLU 24 CO 0.06 0.71 0.50 -1.35 -1.18 0.00 0.00 179.01 177.74 2bf5 h PRO 25 N 0.66 0.69 -0.40 0.92 0.11 -1.77 -0.42 132.00 131.79 2bf5 h PRO 25 Ca 0.16 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.08 2bf5 h PRO 25 Cb 0.26 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 2bf5 h PRO 25 CO -0.01 0.46 -0.33 0.28 -0.21 0.00 0.00 178.00 178.19 2bf5 h VAL 26 N 0.71 1.27 -0.22 3.15 2.07 -0.63 0.01 116.25 122.62 2bf5 h VAL 26 Ca 0.48 -1.49 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 2bf5 h VAL 26 Cb 0.66 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 2bf5 h VAL 26 CO -0.35 0.50 0.13 0.40 0.02 0.00 0.00 177.57 178.28 2bf5 h ILE 27 N 0.74 1.08 -0.51 4.57 2.04 -0.73 0.54 117.51 125.25 2bf5 h ILE 27 Ca 0.07 -0.19 -0.09 0.00 1.00 0.00 0.00 64.86 65.65 2bf5 h ILE 27 Cb 0.91 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 2bf5 h ILE 27 CO 0.08 0.08 -0.04 -0.33 0.00 0.00 0.00 178.15 177.94 2bf5 h GLU 28 N 0.27 0.94 -0.76 2.37 4.39 -1.03 -1.95 114.58 118.81 2bf5 h GLU 28 Ca 0.08 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.46 2bf5 h GLU 28 Cb 0.01 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.55 2bf5 h GLU 28 CO -0.01 0.98 0.48 1.15 -1.16 0.00 0.00 179.01 180.45 2bf5 h THR 29 N 0.80 1.21 -0.54 1.13 2.02 -0.81 0.11 112.91 116.82 2bf5 h THR 29 Ca 0.14 -0.41 0.02 0.00 0.77 0.00 0.00 66.41 66.93 2bf5 h THR 29 Cb 0.58 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 2bf5 h THR 29 CO 0.04 0.21 0.34 0.00 0.37 0.00 0.00 175.52 176.47 2bf5 h ALA 30 N 1.26 0.70 -0.16 6.16 0.00 -0.54 0.16 119.26 126.84 2bf5 h ALA 30 Ca 0.28 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 2bf5 h ALA 30 Cb -0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2bf5 h ALA 30 CO -0.06 0.07 -0.02 0.93 0.00 0.00 0.00 179.25 180.17 2bf5 h GLU 31 N 0.67 0.30 -0.15 0.00 5.08 -0.95 -2.91 114.58 116.63 2bf5 h GLU 31 Ca 0.21 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2bf5 h GLU 31 Cb -0.01 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2bf5 h GLU 31 CO -0.08 0.55 0.02 0.82 -1.00 0.00 0.00 179.01 179.32 2bf5 h ILE 32 N 0.03 1.22 -0.04 3.13 2.04 -0.58 -3.23 117.51 120.07 2bf5 h ILE 32 Ca 0.04 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.19 2bf5 h ILE 32 Cb 0.42 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 2bf5 h ILE 32 CO 0.01 0.21 0.00 0.47 0.00 0.00 0.00 178.15 178.85 2bf5 n ASP 33 N -4.80 1.12 -3.13 1.72 8.00 0.56 -4.02 116.55 116.00 2bf5 n ASP 33 Ca -0.05 -1.44 -0.23 0.00 0.71 0.00 0.00 54.79 53.78 2bf5 n ASP 33 Cb 0.18 -0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.21 2bf5 n ASP 33 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2bf5 n ASN 34 N -0.10 2.49 -4.74 -2.24 3.02 -1.10 -4.75 115.26 107.84 2bf5 n ASN 34 Ca 0.19 -3.27 -0.41 0.00 -0.03 0.00 0.00 54.58 51.06 2bf5 n ASN 34 Cb 0.28 -0.61 0.01 0.00 -0.61 0.00 0.00 39.78 38.85 2bf5 n ASN 34 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2bf5 n PRO 35 N 0.33 2.16 -1.70 3.52 -0.04 -1.26 -2.49 135.00 135.52 2bf5 n PRO 35 Ca 0.27 0.77 -0.10 0.00 -0.04 0.00 0.00 63.50 64.40 2bf5 n PRO 35 Cb 0.51 -2.52 -0.03 0.00 -0.04 0.00 0.00 33.50 31.42 2bf5 n PRO 35 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bf5 n GLY 36 N 0.67 0.60 3.00 0.55 0.00 -1.26 -5.01 105.19 103.74 2bf5 n GLY 36 Ca 0.05 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 45.34 2bf5 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bf5 s LYS 37 N -3.60 0.99 0.12 1.61 1.02 -1.04 -5.13 119.74 113.71 2bf5 s LYS 37 Ca 0.00 -0.30 -0.30 0.00 0.02 0.00 0.00 55.97 55.39 2bf5 s LYS 37 Cb 0.00 -0.92 -0.07 0.00 -0.52 0.00 0.00 37.83 36.32 2bf5 s LYS 37 CO 0.00 0.10 1.13 -1.21 -0.92 0.00 0.00 175.35 174.45 2bf5 s GLU 38 N 0.26 4.52 -0.17 1.68 2.02 -1.26 -4.99 118.70 120.76 2bf5 s GLU 38 Ca -0.04 1.72 -0.05 0.00 0.02 0.00 0.00 54.97 56.61 2bf5 s GLU 38 Cb -0.09 -3.32 -0.03 0.00 0.10 0.00 0.00 34.13 30.79 2bf5 s GLU 38 CO 0.01 -0.07 0.01 0.42 0.02 0.00 0.00 175.26 175.65 2bf5 s ILE 39 N 0.35 4.28 -0.19 -1.63 -1.09 -1.26 -4.55 121.20 117.10 2bf5 s ILE 39 Ca 0.53 -0.21 -0.10 0.00 -2.23 0.00 0.00 60.65 58.64 2bf5 s ILE 39 Cb -0.29 -2.91 -0.05 0.00 -1.58 0.00 0.00 42.46 37.63 2bf5 s ILE 39 CO 0.32 0.47 0.14 -0.89 -1.23 0.00 0.00 174.94 173.75 2bf5 s THR 40 N 0.49 5.41 -0.23 2.92 2.01 0.37 -4.95 115.64 121.65 2bf5 s THR 40 Ca -0.00 0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.22 2bf5 s THR 40 Cb -0.14 -3.47 0.04 0.00 0.01 0.00 0.00 72.50 68.94 2bf5 s THR 40 CO 0.02 0.45 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.57 2bf5 s VAL 41 N 0.31 2.21 -0.38 3.82 1.01 -1.26 -0.65 120.40 125.46 2bf5 s VAL 41 Ca 0.09 -1.36 -0.09 0.00 0.00 0.00 0.00 61.98 60.61 2bf5 s VAL 41 Cb -0.11 -2.17 0.05 0.00 0.00 0.00 0.00 36.38 34.15 2bf5 s VAL 41 CO -0.01 0.17 0.20 -0.70 0.00 0.00 0.00 175.10 174.75 2bf5 s GLU 42 N 1.18 2.66 -0.56 2.72 2.12 0.88 -4.96 118.70 122.74 2bf5 s GLU 42 Ca -0.04 -1.28 -0.20 0.00 0.36 0.00 0.00 54.97 53.82 2bf5 s GLU 42 Cb -0.18 -3.68 0.08 0.00 0.26 0.00 0.00 34.13 30.62 2bf5 s GLU 42 CO -0.07 -0.81 0.70 0.34 -0.54 0.00 0.00 175.26 174.88 2bf5 s ASP 43 N 1.75 6.21 -0.06 -1.70 -1.08 -1.26 -0.89 116.67 119.64 2bf5 s ASP 43 Ca 0.01 -1.13 0.10 0.00 -0.52 0.00 0.00 52.55 51.02 2bf5 s ASP 43 Cb -0.21 -2.31 0.40 0.00 -1.46 0.00 0.00 42.92 39.34 2bf5 s ASP 43 CO 0.04 -1.05 1.25 0.54 0.52 0.00 0.00 175.17 176.46 2bf5 n ARG 44 N 6.43 2.51 0.00 4.34 1.74 0.03 -4.95 116.66 126.77 2bf5 n ARG 44 Ca -0.07 -1.60 0.00 0.00 -0.77 0.00 0.00 57.85 55.41 2bf5 n ARG 44 Cb 0.44 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 2bf5 n ARG 44 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2bf5 n ARG 45 N 0.54 0.00 0.04 5.56 5.12 -1.26 -4.25 116.66 122.41 2bf5 n ARG 45 Ca 0.14 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 56.00 2bf5 n ARG 45 Cb 0.54 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 31.73 2bf5 n ARG 45 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2bf5 h ALA 46 N 0.00 0.52 -2.51 7.54 0.00 -1.97 -3.43 119.26 119.42 2bf5 h ALA 46 Ca 0.00 -1.02 -0.13 0.00 0.00 0.00 0.00 54.91 53.76 2bf5 h ALA 46 Cb 0.00 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 17.71 2bf5 h ALA 46 CO 0.00 1.27 -0.48 1.52 0.00 0.00 0.00 179.25 181.55 2bf5 s TYR 47 N -2.72 0.56 -0.04 0.00 -0.85 -1.26 -1.35 117.35 111.69 2bf5 s TYR 47 Ca -0.01 -0.95 0.02 0.00 -0.52 0.00 0.00 57.07 55.61 2bf5 s TYR 47 Cb 0.09 -0.25 0.02 0.00 0.38 0.00 0.00 41.96 42.20 2bf5 s TYR 47 CO 0.81 -0.59 -0.07 0.08 -1.52 0.00 0.00 175.55 174.26 2bf5 s VAL 48 N -3.98 0.66 -0.20 -3.49 1.01 0.05 -0.79 120.40 113.66 2bf5 s VAL 48 Ca 0.18 -0.23 -0.09 0.00 0.00 0.00 0.00 61.98 61.84 2bf5 s VAL 48 Cb 0.05 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 2bf5 s VAL 48 CO -0.01 0.24 0.10 -0.60 0.00 0.00 0.00 175.10 174.82 2bf5 s ARG 49 N 0.65 4.03 -0.14 2.72 3.52 -0.07 -0.89 118.95 128.77 2bf5 s ARG 49 Ca -0.10 -0.31 0.01 0.00 -0.13 0.00 0.00 55.73 55.20 2bf5 s ARG 49 Cb -0.13 -3.34 -0.01 0.00 -1.56 0.00 0.00 34.95 29.92 2bf5 s ARG 49 CO 0.01 0.21 -0.16 0.42 -0.81 0.00 0.00 175.30 174.97 2bf5 s ILE 50 N 0.59 2.70 0.04 4.11 1.09 -0.47 -0.09 121.20 129.17 2bf5 s ILE 50 Ca 0.05 -0.77 -0.10 0.00 -1.10 0.00 0.00 60.65 58.73 2bf5 s ILE 50 Cb -0.12 -2.13 0.01 0.00 -1.06 0.00 0.00 42.46 39.15 2bf5 s ILE 50 CO 0.01 0.52 0.21 0.00 -0.10 0.00 0.00 174.94 175.58 2bf5 s ALA 51 N 0.63 -0.43 0.05 9.38 0.00 0.18 -2.83 121.76 128.74 2bf5 s ALA 51 Ca -0.09 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.67 2bf5 s ALA 51 Cb -0.16 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 2bf5 s ALA 51 CO 0.03 -0.36 -0.04 0.00 0.00 0.00 0.00 175.76 175.38 2bf5 s ALA 52 N -2.48 0.51 0.06 0.00 0.00 -0.63 -0.48 121.76 118.74 2bf5 s ALA 52 Ca -0.06 -1.03 -0.31 0.00 0.00 0.00 0.00 51.96 50.57 2bf5 s ALA 52 Cb -0.01 0.19 -0.06 0.00 0.00 0.00 0.00 23.12 23.24 2bf5 s ALA 52 CO -0.03 -0.25 1.30 -1.21 0.00 0.00 0.00 175.76 175.57 2bf5 s GLU 53 N -3.02 4.36 0.00 0.00 2.02 -1.26 -0.72 118.70 120.08 2bf5 s GLU 53 Ca 0.00 1.90 0.00 0.00 0.02 0.00 0.00 54.97 56.89 2bf5 s GLU 53 Cb 0.01 -3.38 0.00 0.00 0.10 0.00 0.00 34.13 30.86 2bf5 s GLU 53 CO -0.06 -0.39 0.00 0.41 0.02 0.00 0.00 175.26 175.24 2bf5 n GLY 54 N 3.40 1.88 3.38 -1.39 0.00 0.24 -4.80 105.19 107.91 2bf5 n GLY 54 Ca 0.11 -0.21 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 2bf5 n GLY 54 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2bf5 s GLU 55 N 0.00 0.93 -0.06 1.61 -1.05 -1.26 -1.39 118.70 117.49 2bf5 s GLU 55 Ca 0.00 -0.10 -0.03 0.00 -0.15 0.00 0.00 54.97 54.70 2bf5 s GLU 55 Cb 0.00 0.43 0.04 0.00 -0.44 0.00 0.00 34.13 34.16 2bf5 s GLU 55 CO 0.00 -0.30 0.09 -1.17 0.95 0.00 0.00 175.26 174.83 2bf5 s LEU 56 N -1.58 0.08 -0.14 1.83 2.96 -0.02 -4.72 118.68 117.09 2bf5 s LEU 56 Ca -0.09 0.12 -0.06 0.00 -0.22 0.00 0.00 54.13 53.88 2bf5 s LEU 56 Cb -0.02 -0.01 -0.04 0.00 0.50 0.00 0.00 46.19 46.63 2bf5 s LEU 56 CO 0.03 -0.25 0.08 -0.63 -1.32 0.00 0.00 176.35 174.26 2bf5 s ILE 57 N 2.21 5.01 -0.17 6.68 1.01 -1.26 -0.92 121.20 133.76 2bf5 s ILE 57 Ca 0.04 0.03 -0.00 0.00 0.00 0.00 0.00 60.65 60.72 2bf5 s ILE 57 Cb -0.12 -3.20 0.04 0.00 0.01 0.00 0.00 42.46 39.19 2bf5 s ILE 57 CO -0.04 0.55 -0.07 -0.76 0.00 0.00 0.00 174.94 174.63 2bf5 s LEU 58 N -0.46 1.74 0.22 2.97 1.43 -0.18 -4.64 118.68 119.77 2bf5 s LEU 58 Ca 0.10 -0.70 -0.14 0.00 -1.03 0.00 0.00 54.13 52.37 2bf5 s LEU 58 Cb -0.12 -0.98 -0.08 0.00 0.03 0.00 0.00 46.19 45.04 2bf5 s LEU 58 CO 0.02 -0.17 0.62 0.42 0.23 0.00 0.00 176.35 177.46 2bf5 s THR 59 N 1.58 4.80 0.22 5.49 -4.23 -1.26 -1.09 115.64 121.14 2bf5 s THR 59 Ca 0.01 0.82 -0.09 0.00 -1.18 0.00 0.00 61.69 61.25 2bf5 s THR 59 Cb -0.15 -3.69 0.16 0.00 1.34 0.00 0.00 72.50 70.16 2bf5 s THR 59 CO -0.08 0.05 1.83 -0.09 -0.54 0.00 0.00 174.62 175.80 2bf5 h ARG 60 N 2.96 0.80 -0.35 3.99 2.43 -1.30 -1.96 114.38 120.96 2bf5 h ARG 60 Ca -0.48 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 58.62 2bf5 h ARG 60 Cb 1.18 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 2bf5 h ARG 60 CO 0.67 0.53 0.12 -0.22 -1.51 0.00 0.00 179.97 179.56 2bf5 h LYS 61 N 0.83 0.54 -0.53 0.20 3.64 -1.93 -0.25 116.57 119.07 2bf5 h LYS 61 Ca 0.31 -0.11 -0.07 0.00 -1.27 0.00 0.00 60.65 59.52 2bf5 h LYS 61 Cb 0.12 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 2bf5 h LYS 61 CO -0.15 0.55 0.06 1.15 -2.27 0.00 0.00 179.45 178.79 2bf5 h THR 62 N 0.42 1.26 -0.70 1.00 2.02 -1.93 -1.45 112.91 113.53 2bf5 h THR 62 Ca 0.12 -0.99 -0.00 0.00 0.77 0.00 0.00 66.41 66.30 2bf5 h THR 62 Cb 0.22 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 2bf5 h THR 62 CO -0.01 0.36 0.44 -0.07 0.37 0.00 0.00 175.52 176.61 2bf5 h LEU 63 N 0.78 0.82 -0.60 2.58 3.38 -1.11 -1.00 115.31 120.17 2bf5 h LEU 63 Ca 0.16 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2bf5 h LEU 63 Cb 0.44 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2bf5 h LEU 63 CO 0.01 0.63 0.23 -0.08 0.09 0.00 0.00 178.44 179.32 2bf5 h GLU 64 N 0.95 0.90 -0.37 1.13 4.81 -0.86 -1.07 114.58 120.07 2bf5 h GLU 64 Ca 0.25 -0.17 0.03 0.00 -0.13 0.00 0.00 59.36 59.34 2bf5 h GLU 64 Cb -0.06 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 2bf5 h GLU 64 CO -0.05 0.78 0.25 0.93 -0.73 0.00 0.00 179.01 180.19 2bf5 h GLU 65 N 0.83 0.37 0.08 1.92 5.08 -0.73 0.93 114.58 123.07 2bf5 h GLU 65 Ca 0.20 -0.02 -0.25 0.00 -1.00 0.00 0.00 59.36 58.29 2bf5 h GLU 65 Cb 0.22 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2bf5 h GLU 65 CO -0.01 0.25 -1.14 1.96 -1.00 0.00 0.00 179.01 179.06 2bf5 h GLN 66 N 0.38 0.19 0.06 2.33 1.08 -0.54 -3.33 115.11 115.28 2bf5 h GLN 66 Ca 0.15 -0.31 -0.24 0.00 -1.45 0.00 0.00 58.65 56.81 2bf5 h GLN 66 Cb 0.13 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 2bf5 h GLN 66 CO -0.03 1.13 -1.10 -0.07 -0.95 0.00 0.00 178.83 177.81 2bf5 h LEU 67 N 0.06 0.21 0.27 1.46 3.38 -0.81 -3.46 115.31 116.41 2bf5 h LEU 67 Ca -0.09 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.56 2bf5 h LEU 67 Cb 1.87 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 42.52 2bf5 h LEU 67 CO 0.18 1.16 -0.09 0.61 0.09 0.00 0.00 178.44 180.38 2bf5 n GLY 68 N 1.40 0.71 3.35 0.83 0.00 0.28 -5.02 105.19 106.74 2bf5 n GLY 68 Ca -0.04 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 45.05 2bf5 n GLY 68 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2bf5 s ARG 69 N -2.56 1.12 0.19 1.61 1.70 -1.25 -5.09 118.95 114.67 2bf5 s ARG 69 Ca 0.00 -0.94 -0.33 0.00 -0.47 0.00 0.00 55.73 54.00 2bf5 s ARG 69 Cb 0.00 0.43 -0.14 0.00 -0.57 0.00 0.00 34.95 34.66 2bf5 s ARG 69 CO 0.00 -0.43 1.38 -2.30 -1.08 0.00 0.00 175.30 172.87 2bf5 n PRO 70 N -0.21 1.77 -3.80 3.89 -0.02 -1.26 -4.78 135.00 130.58 2bf5 n PRO 70 Ca -0.12 0.63 -0.14 0.00 -2.02 0.00 0.00 63.50 61.85 2bf5 n PRO 70 Cb 0.63 -2.27 -0.15 0.00 -0.02 0.00 0.00 33.50 31.68 2bf5 n PRO 70 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2bf5 s PHE 71 N 0.16 0.02 0.24 6.00 5.36 -1.26 -5.06 117.98 123.43 2bf5 s PHE 71 Ca 0.73 0.09 0.07 0.00 -0.96 0.00 0.00 56.93 56.85 2bf5 s PHE 71 Cb -0.73 -0.16 -0.05 0.00 -0.34 0.00 0.00 43.02 41.73 2bf5 s PHE 71 CO 0.48 -0.06 -0.09 -0.80 -1.46 0.00 0.00 175.22 173.29 2bf5 s ASN 72 N 0.73 2.53 0.51 6.13 0.01 -1.26 -4.85 114.94 118.75 2bf5 s ASN 72 Ca -0.06 -1.12 0.23 0.00 -0.71 0.00 0.00 52.86 51.20 2bf5 s ASN 72 Cb -0.09 -0.13 1.36 0.00 0.41 0.00 0.00 41.25 42.81 2bf5 s ASN 72 CO -0.02 -0.30 2.08 0.24 -1.51 0.00 0.00 177.10 177.60 2bf5 h MET 73 N 2.43 0.00 0.00 -0.60 2.86 -1.89 -2.07 114.93 115.66 2bf5 h MET 73 Ca -0.39 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.25 2bf5 h MET 73 Cb 1.23 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.88 2bf5 h MET 73 CO 0.65 0.11 -0.02 -0.56 1.06 0.00 0.00 176.91 178.15 2bf5 h GLN 74 N 0.00 0.00 -0.62 1.72 -0.00 -1.97 -1.64 115.11 112.60 2bf5 h GLN 74 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.61 2bf5 h GLN 74 Cb 0.25 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.71 2bf5 h GLN 74 CO 0.01 0.02 0.22 1.49 -0.00 0.00 0.00 178.83 180.57 2bf5 h GLU 75 N 0.00 0.95 -0.10 0.06 4.81 -1.81 0.06 114.58 118.56 2bf5 h GLU 75 Ca -0.00 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.03 2bf5 h GLU 75 Cb 0.03 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 2bf5 h GLU 75 CO 0.00 0.83 0.01 1.25 -0.73 0.00 0.00 179.01 180.37 2bf5 h LEU 76 N 0.88 0.16 -0.70 1.64 5.85 -1.53 -3.01 115.31 118.60 2bf5 h LEU 76 Ca 0.20 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 2bf5 h LEU 76 Cb 0.25 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2bf5 h LEU 76 CO -0.01 0.39 0.24 -0.33 -0.34 0.00 0.00 178.44 178.39 2bf5 h GLU 77 N -0.08 1.07 0.00 1.25 5.08 -1.08 -1.60 114.58 119.23 2bf5 h GLU 77 Ca 0.03 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.11 2bf5 h GLU 77 Cb 0.30 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2bf5 h GLU 77 CO 0.00 0.91 -0.32 0.82 -1.00 0.00 0.00 179.01 179.42 2bf5 h ILE 78 N 1.02 1.01 -0.54 3.13 2.04 -1.07 -2.52 117.51 120.58 2bf5 h ILE 78 Ca 0.23 -1.18 0.00 0.00 1.00 0.00 0.00 64.86 64.91 2bf5 h ILE 78 Cb 0.27 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 2bf5 h ILE 78 CO -0.01 0.31 0.00 0.59 0.00 0.00 0.00 178.15 179.04 2bf5 n ASN 79 N -3.85 4.33 -4.59 1.72 3.02 -0.66 -4.81 115.26 110.43 2bf5 n ASN 79 Ca -0.01 -2.48 -0.42 0.00 -0.03 0.00 0.00 54.58 51.64 2bf5 n ASN 79 Cb 0.40 -0.56 -0.02 0.00 -0.61 0.00 0.00 39.78 38.98 2bf5 n ASN 79 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2bf5 s LEU 80 N -1.80 3.50 0.27 3.41 1.43 -0.84 -4.47 118.68 120.19 2bf5 s LEU 80 Ca 0.44 0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 54.05 2bf5 s LEU 80 Cb 0.30 -3.32 0.37 0.00 0.03 0.00 0.00 46.19 43.57 2bf5 s LEU 80 CO 0.19 -1.54 1.78 0.00 0.23 0.00 0.00 176.35 177.01 2bf5 h ALA 81 N 10.69 1.14 -2.99 4.21 0.00 -1.32 -3.47 119.26 127.53 2bf5 h ALA 81 Ca -0.27 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 2bf5 h ALA 81 Cb 1.09 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2bf5 h ALA 81 CO 1.13 0.56 0.28 0.45 0.00 0.00 0.00 179.25 181.67 2bf5 s SER 82 N -6.64 0.00 0.08 0.00 0.15 -1.12 -5.01 113.70 101.16 2bf5 s SER 82 Ca -0.09 -1.13 -0.26 0.00 0.70 0.00 0.00 55.95 55.17 2bf5 s SER 82 Cb 0.15 0.84 0.07 0.00 -1.71 0.00 0.00 66.02 65.38 2bf5 s SER 82 CO 0.80 -1.67 0.65 0.72 1.20 0.00 0.00 173.24 174.94 2bf5 s PHE 83 N -2.32 -0.56 -0.04 3.44 -0.12 -1.26 -1.01 117.98 116.12 2bf5 s PHE 83 Ca 0.16 0.55 0.02 0.00 -0.05 0.00 0.00 56.93 57.61 2bf5 s PHE 83 Cb -0.05 0.51 -0.03 0.00 -0.63 0.00 0.00 43.02 42.82 2bf5 s PHE 83 CO 0.11 -0.75 -0.09 0.00 -0.05 0.00 0.00 175.22 174.44 2bf5 s ALA 84 N -2.93 2.89 0.00 1.99 0.00 -0.24 -4.97 121.76 118.50 2bf5 s ALA 84 Ca -0.02 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 50.98 2bf5 s ALA 84 Cb -0.01 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 22.00 2bf5 s ALA 84 CO -0.06 0.58 0.00 0.41 0.00 0.00 0.00 175.76 176.69 2bf5 n GLY 85 N 2.05 0.88 3.91 0.00 0.00 -1.26 -1.24 105.19 109.53 2bf5 n GLY 85 Ca -0.17 -2.05 -0.27 0.00 0.00 0.00 0.00 46.02 43.53 2bf5 n GLY 85 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bf5 s GLN 86 N -1.54 3.06 -0.06 1.61 -1.52 0.44 -4.81 119.66 116.85 2bf5 s GLN 86 Ca 0.00 0.07 0.06 0.00 -1.95 0.00 0.00 55.36 53.53 2bf5 s GLN 86 Cb 0.00 -2.28 -0.01 0.00 -0.22 0.00 0.00 33.01 30.50 2bf5 s GLN 86 CO 0.00 -0.61 -0.24 0.42 -0.25 0.00 0.00 175.29 174.62 2bf5 s ILE 87 N -2.96 1.95 -0.10 1.08 1.01 -1.26 -0.73 121.20 120.20 2bf5 s ILE 87 Ca 0.53 -1.00 0.04 0.00 0.00 0.00 0.00 60.65 60.21 2bf5 s ILE 87 Cb -0.10 -1.66 -0.00 0.00 0.01 0.00 0.00 42.46 40.71 2bf5 s ILE 87 CO 0.45 0.54 -0.24 -1.10 0.00 0.00 0.00 174.94 174.60 2bf5 s GLN 88 N -0.07 3.01 -0.04 2.79 -0.21 -0.22 -5.01 119.66 119.91 2bf5 s GLN 88 Ca -0.05 -0.88 -0.08 0.00 0.02 0.00 0.00 55.36 54.37 2bf5 s GLN 88 Cb -0.14 -2.29 0.01 0.00 1.00 0.00 0.00 33.01 31.59 2bf5 s GLN 88 CO 0.04 0.20 0.19 0.00 -2.12 0.00 0.00 175.29 173.60 2bf5 s ALA 89 N 0.30 -0.47 0.00 6.09 0.00 -1.26 0.08 121.76 126.50 2bf5 s ALA 89 Ca -0.18 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.06 2bf5 s ALA 89 Cb -0.18 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.82 2bf5 s ALA 89 CO 0.09 -0.16 0.00 -0.40 0.00 0.00 0.00 175.76 175.29 2bf5 n ASP 90 N 2.21 0.00 0.18 0.00 5.68 -0.53 -5.03 116.55 119.06 2bf5 n ASP 90 Ca -0.17 -0.46 0.14 0.00 -0.50 0.00 0.00 54.79 53.80 2bf5 n ASP 90 Cb 0.57 0.00 0.57 0.00 -1.14 0.00 0.00 41.12 41.12 2bf5 n ASP 90 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2bf5 h GLU 91 N 0.00 0.00 0.00 0.11 9.09 -2.02 -3.22 114.58 118.54 2bf5 h GLU 91 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2bf5 h GLU 91 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2bf5 h GLU 91 CO 0.00 0.00 -1.74 -0.25 0.05 0.00 0.00 179.01 177.07 2bf5 n ASP 92 N -2.54 0.95 -3.59 3.06 8.00 -1.26 -4.63 116.55 116.54 2bf5 n ASP 92 Ca 0.02 -0.06 -0.05 0.00 0.71 0.00 0.00 54.79 55.41 2bf5 n ASP 92 Cb 0.25 1.76 -0.02 0.00 -0.02 0.00 0.00 41.12 43.09 2bf5 n ASP 92 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bf5 s GLN 93 N -3.19 0.69 -0.00 -1.24 -2.07 -1.22 -0.84 119.66 111.79 2bf5 s GLN 93 Ca -0.06 -0.30 0.08 0.00 -1.82 0.00 0.00 55.36 53.26 2bf5 s GLN 93 Cb 0.11 0.29 -0.02 0.00 -1.09 0.00 0.00 33.01 32.30 2bf5 s GLN 93 CO 0.73 -0.31 -0.25 -1.50 -1.32 0.00 0.00 175.29 172.64 2bf5 s ILE 94 N -2.87 2.02 -0.17 3.63 2.07 -0.25 -1.45 121.20 124.18 2bf5 s ILE 94 Ca 0.09 -1.15 0.01 0.00 -1.41 0.00 0.00 60.65 58.18 2bf5 s ILE 94 Cb -0.00 -1.69 0.02 0.00 0.13 0.00 0.00 42.46 40.92 2bf5 s ILE 94 CO -0.05 0.51 -0.18 -0.60 -1.91 0.00 0.00 174.94 172.71 2bf5 s ARG 95 N -0.75 2.79 -0.10 3.50 3.52 0.11 -1.01 118.95 127.02 2bf5 s ARG 95 Ca 0.10 -0.75 -0.14 0.00 -0.13 0.00 0.00 55.73 54.81 2bf5 s ARG 95 Cb -0.10 -2.44 -0.05 0.00 -1.56 0.00 0.00 34.95 30.81 2bf5 s ARG 95 CO -0.00 -0.22 0.35 -0.06 -0.81 0.00 0.00 175.30 174.56 2bf5 s PHE 96 N 1.34 3.57 -0.00 5.12 0.40 -0.10 -1.05 117.98 127.26 2bf5 s PHE 96 Ca 0.05 0.77 -0.16 0.00 -0.60 0.00 0.00 56.93 56.99 2bf5 s PHE 96 Cb -0.13 -2.32 0.03 0.00 0.51 0.00 0.00 43.02 41.10 2bf5 s PHE 96 CO -0.12 0.40 0.34 1.52 0.70 0.00 0.00 175.22 178.06 2bf5 s TYR 97 N -0.15 -0.20 -0.03 0.36 -0.85 0.09 -0.84 117.35 115.73 2bf5 s TYR 97 Ca 0.20 0.27 -0.22 0.00 -0.52 0.00 0.00 57.07 56.79 2bf5 s TYR 97 Cb -0.14 0.13 -0.05 0.00 0.38 0.00 0.00 41.96 42.28 2bf5 s TYR 97 CO 0.08 -0.44 0.66 0.12 -1.52 0.00 0.00 175.55 174.46 2bf5 s PHE 98 N -1.63 3.64 -0.22 -3.49 5.36 -0.48 -0.42 117.98 120.74 2bf5 s PHE 98 Ca -0.11 1.25 0.02 0.00 -0.96 0.00 0.00 56.93 57.13 2bf5 s PHE 98 Cb -0.04 -2.73 0.04 0.00 -0.34 0.00 0.00 43.02 39.96 2bf5 s PHE 98 CO 0.03 0.21 -0.13 0.34 -1.46 0.00 0.00 175.22 174.21 2bf5 s ASP 99 N 0.31 3.75 0.00 6.13 -1.08 -1.26 -5.00 116.67 119.52 2bf5 s ASP 99 Ca 0.35 -1.03 0.00 0.00 -0.52 0.00 0.00 52.55 51.35 2bf5 s ASP 99 Cb -0.18 -1.43 0.00 0.00 -1.46 0.00 0.00 42.92 39.85 2bf5 s ASP 99 CO 0.18 -0.12 0.00 0.29 0.52 0.00 0.00 175.17 176.04 2bf5 n LYS 100 N 4.56 0.00 -0.03 4.34 5.02 -1.26 -4.55 118.16 126.25 2bf5 n LYS 100 Ca -0.16 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.11 2bf5 n LYS 100 Cb 0.46 -0.38 -0.01 0.00 -0.02 0.00 0.00 35.03 35.08 2bf5 n LYS 100 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2bf5 n THR 101 N 0.00 0.51 0.00 -0.18 -2.24 -1.26 -5.22 114.28 105.89 2bf5 n THR 101 Ca 0.00 0.40 0.00 0.00 -2.27 0.00 0.00 64.05 62.18 2bf5 n THR 101 Cb 0.00 -1.82 0.00 0.00 -2.10 0.00 0.00 70.33 66.41 2bf5 n THR 101 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73