#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 7.47 0.05 0.53 0.01 -1.26 -1.19 114.94 120.54 2bf5 s ASN 12 Ca 0.00 2.09 -0.01 0.00 -0.71 0.00 0.00 52.86 54.23 2bf5 s ASN 12 Cb 0.00 -2.62 -0.03 0.00 0.41 0.00 0.00 41.25 39.01 2bf5 s ASN 12 CO 0.00 0.02 -0.02 0.68 -1.51 0.00 0.00 177.10 176.27 2bf5 s VAL 13 N -1.13 0.19 0.00 1.60 -7.23 -0.17 -4.51 120.40 109.15 2bf5 s VAL 13 Ca 0.43 -1.60 0.00 0.00 -1.81 0.00 0.00 61.98 58.99 2bf5 s VAL 13 Cb -0.29 -1.27 0.00 0.00 0.56 0.00 0.00 36.38 35.38 2bf5 s VAL 13 CO 0.36 -0.89 0.00 0.61 -0.31 0.00 0.00 175.10 174.87 2bf5 n GLY 14 N 0.38 1.34 3.85 2.32 0.00 -0.58 -1.34 105.19 111.16 2bf5 n GLY 14 Ca -0.16 -1.68 -0.32 0.00 0.00 0.00 0.00 46.02 43.86 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 -1.56 3.80 -0.21 1.61 0.04 -1.15 -0.83 135.00 136.69 2bf5 s PRO 15 Ca 0.00 0.92 0.02 0.00 0.04 0.00 0.00 61.00 61.98 2bf5 s PRO 15 Cb 0.00 -2.11 0.04 0.00 0.04 0.00 0.00 34.50 32.47 2bf5 s PRO 15 CO 0.00 -0.40 -0.15 0.42 0.04 0.00 0.00 177.00 176.91 2bf5 s ILE 16 N -2.76 2.04 -0.16 0.56 1.01 -0.61 -1.14 121.20 120.14 2bf5 s ILE 16 Ca 0.58 -1.21 -0.13 0.00 0.00 0.00 0.00 60.65 59.89 2bf5 s ILE 16 Cb -0.11 -2.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.32 2bf5 s ILE 16 CO 0.38 0.27 0.26 -0.63 0.00 0.00 0.00 174.94 175.22 2bf5 s ILE 17 N 1.23 5.32 -0.15 2.92 -1.09 0.18 -0.42 121.20 129.19 2bf5 s ILE 17 Ca -0.01 0.48 0.02 0.00 -2.23 0.00 0.00 60.65 58.91 2bf5 s ILE 17 Cb -0.16 -3.60 -0.23 0.00 -1.58 0.00 0.00 42.46 36.89 2bf5 s ILE 17 CO -0.09 0.42 0.22 -1.14 -1.23 0.00 0.00 174.94 173.12 2bf5 n ARG 18 N 3.41 0.70 -2.83 2.79 3.00 -0.68 -1.64 116.66 121.40 2bf5 n ARG 18 Ca -0.13 0.20 -0.42 0.00 -0.00 0.00 0.00 57.85 57.50 2bf5 n ARG 18 Cb 0.52 -1.65 -0.04 0.00 0.00 0.00 0.00 32.46 31.29 2bf5 n ARG 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2bf5 s ALA 19 N -2.55 3.43 0.34 5.13 0.00 -1.25 -4.47 121.76 122.40 2bf5 s ALA 19 Ca -0.21 -0.46 0.08 0.00 0.00 0.00 0.00 51.96 51.37 2bf5 s ALA 19 Cb 0.07 -3.50 0.78 0.00 0.00 0.00 0.00 23.12 20.48 2bf5 s ALA 19 CO 0.74 -1.54 1.86 0.78 0.00 0.00 0.00 175.76 177.59 2bf5 h GLY 20 N 9.96 1.30 2.00 0.00 0.00 -1.97 -1.70 103.07 112.67 2bf5 h GLY 20 Ca -0.23 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.78 2bf5 h GLY 20 CO 0.96 0.08 0.00 2.09 0.00 0.00 0.00 176.54 179.68 2bf5 n ASP 21 N -4.58 0.42 0.00 0.19 5.75 -1.26 -2.48 116.55 114.59 2bf5 n ASP 21 Ca 0.18 0.59 0.11 0.00 -0.01 0.00 0.00 54.79 55.66 2bf5 n ASP 21 Cb 0.47 -0.68 0.03 0.00 -1.03 0.00 0.00 41.12 39.91 2bf5 n ASP 21 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2bf5 n LEU 22 N -1.94 0.74 0.20 -2.12 4.77 -0.64 -4.62 117.00 113.39 2bf5 n LEU 22 Ca 0.03 -0.24 -0.15 0.00 -0.03 0.00 0.00 56.01 55.63 2bf5 n LEU 22 Cb 0.25 -0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.17 2bf5 n LEU 22 CO 0.20 0.17 0.70 0.58 -1.33 0.00 0.00 177.39 177.71 2bf5 h VAL 23 N 0.00 0.47 -0.20 4.08 2.07 -1.48 -1.15 116.25 120.04 2bf5 h VAL 23 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 2bf5 h VAL 23 Cb 0.55 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2bf5 h VAL 23 CO 0.00 0.00 -0.07 -0.08 0.02 0.00 0.00 177.57 177.44 2bf5 h GLU 24 N -0.57 0.39 -0.94 1.57 4.57 -1.82 -0.25 114.58 117.54 2bf5 h GLU 24 Ca -0.02 -0.16 0.14 0.00 -1.18 0.00 0.00 59.36 58.14 2bf5 h GLU 24 Cb 0.50 -0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 29.00 2bf5 h GLU 24 CO -0.02 0.66 0.60 -1.35 -1.18 0.00 0.00 179.01 177.72 2bf5 h PRO 25 N 0.10 0.77 -0.10 0.92 0.11 -1.81 -0.57 132.00 131.41 2bf5 h PRO 25 Ca 0.05 -0.05 -0.20 0.00 0.11 0.00 0.00 66.00 65.91 2bf5 h PRO 25 Cb 0.53 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 31.48 2bf5 h PRO 25 CO 0.02 0.51 -0.72 0.28 -0.21 0.00 0.00 178.00 177.88 2bf5 h VAL 26 N 0.79 1.32 -0.18 3.15 2.07 -0.85 -0.89 116.25 121.65 2bf5 h VAL 26 Ca 0.48 -1.98 0.04 0.00 0.82 0.00 0.00 66.70 66.06 2bf5 h VAL 26 Cb 0.67 2.16 -0.04 0.00 -1.52 0.00 0.00 31.29 32.57 2bf5 h VAL 26 CO -0.24 0.61 -0.08 0.40 0.02 0.00 0.00 177.57 178.28 2bf5 h ILE 27 N 0.33 0.74 -0.67 4.57 2.04 -0.67 0.82 117.51 124.68 2bf5 h ILE 27 Ca -0.06 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.74 2bf5 h ILE 27 Cb 1.36 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 38.16 2bf5 h ILE 27 CO 0.15 0.00 0.20 -0.33 0.00 0.00 0.00 178.15 178.16 2bf5 h GLU 28 N -0.05 1.03 -0.57 2.37 4.39 -1.08 -1.68 114.58 118.99 2bf5 h GLU 28 Ca 0.10 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.59 2bf5 h GLU 28 Cb 0.19 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 2bf5 h GLU 28 CO -0.22 0.88 0.37 1.15 -1.16 0.00 0.00 179.01 180.04 2bf5 h THR 29 N 0.99 1.15 -0.84 1.13 2.02 -0.87 -0.83 112.91 115.66 2bf5 h THR 29 Ca 0.22 -0.30 0.09 0.00 0.77 0.00 0.00 66.41 67.19 2bf5 h THR 29 Cb 0.30 0.33 -0.07 0.00 -1.74 0.00 0.00 68.15 66.97 2bf5 h THR 29 CO -0.01 0.15 0.49 0.00 0.37 0.00 0.00 175.52 176.53 2bf5 h ALA 30 N 1.20 1.19 -0.38 6.16 0.00 -0.37 -0.23 119.26 126.84 2bf5 h ALA 30 Ca 0.21 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 2bf5 h ALA 30 Cb -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2bf5 h ALA 30 CO -0.04 0.14 -0.13 0.93 0.00 0.00 0.00 179.25 180.15 2bf5 h GLU 31 N 0.84 0.76 -0.04 0.00 4.39 -0.78 -2.44 114.58 117.30 2bf5 h GLU 31 Ca 0.40 -0.31 -0.11 0.00 0.34 0.00 0.00 59.36 59.68 2bf5 h GLU 31 Cb 0.33 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2bf5 h GLU 31 CO -0.23 0.92 -0.42 0.82 -1.16 0.00 0.00 179.01 178.94 2bf5 h ILE 32 N 0.56 1.43 -0.01 3.13 2.04 -0.94 -3.26 117.51 120.47 2bf5 h ILE 32 Ca 0.09 -1.87 0.00 0.00 1.00 0.00 0.00 64.86 64.08 2bf5 h ILE 32 Cb 0.66 2.45 0.00 0.00 -0.74 0.00 0.00 36.82 39.19 2bf5 h ILE 32 CO 0.04 0.54 -0.06 0.47 0.00 0.00 0.00 178.15 179.14 2bf5 n ASP 33 N -4.35 0.78 -3.19 1.72 8.00 -0.12 -4.00 116.55 115.39 2bf5 n ASP 33 Ca -0.09 -1.02 -0.23 0.00 0.71 0.00 0.00 54.79 54.16 2bf5 n ASP 33 Cb 0.56 -0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.60 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 -0.54 1.55 -4.77 -2.24 3.02 -0.92 -4.74 115.26 106.62 2bf5 n ASN 34 Ca 0.18 -3.05 -0.41 0.00 -0.03 0.00 0.00 54.58 51.27 2bf5 n ASN 34 Cb 0.28 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.82 2bf5 n ASN 34 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2bf5 s PRO 35 N -2.12 4.01 0.00 3.52 0.04 -1.25 -2.50 135.00 136.70 2bf5 s PRO 35 Ca 0.39 2.49 0.00 0.00 0.04 0.00 0.00 61.00 63.93 2bf5 s PRO 35 Cb 0.24 -2.89 0.00 0.00 0.04 0.00 0.00 34.50 31.89 2bf5 s PRO 35 CO -0.09 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 176.78 2bf5 n GLY 36 N 0.52 2.88 3.75 0.56 0.00 -1.26 -4.99 105.19 106.65 2bf5 n GLY 36 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 4.81 0.17 1.61 1.02 -1.04 -4.99 119.74 121.32 2bf5 s LYS 37 Ca 0.00 1.56 -0.32 0.00 0.02 0.00 0.00 55.97 57.23 2bf5 s LYS 37 Cb 0.00 -3.26 -0.11 0.00 -0.52 0.00 0.00 37.83 33.94 2bf5 s LYS 37 CO 0.00 0.45 1.67 -2.00 -0.92 0.00 0.00 175.35 174.55 2bf5 s GLU 38 N -1.24 4.17 -0.16 1.68 2.12 -1.26 -5.00 118.70 119.01 2bf5 s GLU 38 Ca 0.42 2.49 -0.02 0.00 0.36 0.00 0.00 54.97 58.22 2bf5 s GLU 38 Cb -0.27 -3.19 -0.01 0.00 0.26 0.00 0.00 34.13 30.91 2bf5 s GLU 38 CO 0.34 -0.70 -0.10 0.42 -0.54 0.00 0.00 175.26 174.68 2bf5 s ILE 39 N 1.41 3.18 -0.11 -3.70 -1.09 -1.26 -4.45 121.20 115.18 2bf5 s ILE 39 Ca 0.73 -0.60 -0.00 0.00 -2.23 0.00 0.00 60.65 58.56 2bf5 s ILE 39 Cb -0.46 -2.38 -0.02 0.00 -1.58 0.00 0.00 42.46 38.02 2bf5 s ILE 39 CO 0.32 0.49 -0.09 -0.89 -1.23 0.00 0.00 174.94 173.54 2bf5 s THR 40 N 0.73 3.43 -0.10 2.92 2.01 -0.15 -4.96 115.64 119.52 2bf5 s THR 40 Ca -0.05 -0.55 0.04 0.00 0.31 0.00 0.00 61.69 61.45 2bf5 s THR 40 Cb -0.15 -2.43 -0.00 0.00 0.01 0.00 0.00 72.50 69.92 2bf5 s THR 40 CO 0.02 0.55 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.57 2bf5 s VAL 41 N -0.10 2.10 -0.36 3.82 1.01 -1.26 -1.01 120.40 124.60 2bf5 s VAL 41 Ca -0.00 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 2bf5 s VAL 41 Cb -0.13 -1.80 0.08 0.00 0.00 0.00 0.00 36.38 34.53 2bf5 s VAL 41 CO 0.03 0.56 0.11 -1.61 0.00 0.00 0.00 175.10 174.20 2bf5 s GLU 42 N 0.27 2.21 -0.34 2.72 2.02 -0.11 -4.98 118.70 120.49 2bf5 s GLU 42 Ca -0.17 -1.55 -0.22 0.00 0.02 0.00 0.00 54.97 53.05 2bf5 s GLU 42 Cb -0.17 -3.41 0.00 0.00 0.10 0.00 0.00 34.13 30.65 2bf5 s GLU 42 CO 0.08 -0.86 0.73 0.34 0.02 0.00 0.00 175.26 175.57 2bf5 s ASP 43 N 1.54 6.54 -0.07 -0.19 -1.08 -1.26 -2.07 116.67 120.08 2bf5 s ASP 43 Ca 0.02 0.39 -0.04 0.00 -0.52 0.00 0.00 52.55 52.40 2bf5 s ASP 43 Cb -0.21 -2.37 0.03 0.00 -1.46 0.00 0.00 42.92 38.90 2bf5 s ASP 43 CO -0.02 -0.64 0.16 -0.60 0.52 0.00 0.00 175.17 174.58 2bf5 s ARG 44 N 2.92 0.14 -0.03 4.34 3.00 -1.25 -5.05 118.95 123.02 2bf5 s ARG 44 Ca 0.29 0.32 -0.37 0.00 -1.00 0.00 0.00 55.73 54.97 2bf5 s ARG 44 Cb -0.14 -0.06 -0.15 0.00 0.00 0.00 0.00 34.95 34.60 2bf5 s ARG 44 CO 0.15 -0.10 1.56 -2.13 0.00 0.00 0.00 175.30 174.78 2bf5 n ARG 45 N 3.68 1.44 -1.67 5.12 0.63 -1.26 -1.44 116.66 123.16 2bf5 n ARG 45 Ca -0.20 0.52 -0.21 0.00 -0.92 0.00 0.00 57.85 57.05 2bf5 n ARG 45 Cb 0.55 -2.22 -0.08 0.00 0.45 0.00 0.00 32.46 31.16 2bf5 n ARG 45 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2bf5 n ALA 46 N 3.99 -0.34 -2.75 5.13 0.00 -1.26 -4.83 120.51 120.45 2bf5 n ALA 46 Ca 0.21 0.32 -0.09 0.00 0.00 0.00 0.00 53.44 53.88 2bf5 n ALA 46 Cb 0.20 -2.05 0.07 0.00 0.00 0.00 0.00 19.45 17.68 2bf5 n ALA 46 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2bf5 n TYR 47 N -2.55 -3.08 -3.24 0.00 9.36 -0.52 -4.29 117.16 112.85 2bf5 n TYR 47 Ca -0.21 -1.97 -0.42 0.00 3.32 0.00 0.00 57.90 58.62 2bf5 n TYR 47 Cb 0.67 1.58 -0.08 0.00 -0.63 0.00 0.00 39.34 40.89 2bf5 n TYR 47 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2bf5 s VAL 48 N 0.45 4.99 -0.03 2.97 1.01 -0.65 -3.97 120.40 125.17 2bf5 s VAL 48 Ca 0.27 0.04 -0.26 0.00 0.00 0.00 0.00 61.98 62.03 2bf5 s VAL 48 Cb 0.26 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 2bf5 s VAL 48 CO -0.15 -0.38 0.80 -0.13 0.00 0.00 0.00 175.10 175.24 2bf5 s ARG 49 N 2.41 4.49 -0.12 2.72 0.52 -0.88 -0.65 118.95 127.44 2bf5 s ARG 49 Ca 0.17 1.09 0.01 0.00 -0.52 0.00 0.00 55.73 56.48 2bf5 s ARG 49 Cb -0.16 -3.44 0.02 0.00 0.52 0.00 0.00 34.95 31.89 2bf5 s ARG 49 CO 0.15 0.05 -0.13 0.42 0.02 0.00 0.00 175.30 175.81 2bf5 s ILE 50 N 0.77 1.43 0.02 1.52 1.01 -0.29 -0.93 121.20 124.73 2bf5 s ILE 50 Ca 0.43 -0.57 -0.06 0.00 0.00 0.00 0.00 60.65 60.45 2bf5 s ILE 50 Cb -0.19 -1.34 -0.01 0.00 0.01 0.00 0.00 42.46 40.94 2bf5 s ILE 50 CO 0.22 0.43 0.10 0.00 0.00 0.00 0.00 174.94 175.69 2bf5 s ALA 51 N 1.27 -0.15 0.07 9.38 0.00 -0.18 -2.93 121.76 129.22 2bf5 s ALA 51 Ca -0.01 -0.39 -0.04 0.00 0.00 0.00 0.00 51.96 51.52 2bf5 s ALA 51 Cb -0.14 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 2bf5 s ALA 51 CO -0.06 -0.26 0.05 0.00 0.00 0.00 0.00 175.76 175.50 2bf5 s ALA 52 N -2.00 0.29 0.09 0.00 0.00 -0.45 -0.98 121.76 118.71 2bf5 s ALA 52 Ca -0.10 -1.04 -0.30 0.00 0.00 0.00 0.00 51.96 50.52 2bf5 s ALA 52 Cb -0.05 0.39 -0.06 0.00 0.00 0.00 0.00 23.12 23.40 2bf5 s ALA 52 CO -0.02 -0.43 1.17 -1.21 0.00 0.00 0.00 175.76 175.28 2bf5 s GLU 53 N -3.91 4.47 0.00 0.00 2.02 -1.26 -1.00 118.70 119.02 2bf5 s GLU 53 Ca 0.08 1.76 0.00 0.00 0.02 0.00 0.00 54.97 56.82 2bf5 s GLU 53 Cb 0.07 -3.33 0.00 0.00 0.10 0.00 0.00 34.13 30.97 2bf5 s GLU 53 CO -0.09 -0.17 0.00 0.41 0.02 0.00 0.00 175.26 175.43 2bf5 n GLY 54 N 2.87 1.62 3.44 -1.39 0.00 -0.34 -4.80 105.19 106.60 2bf5 n GLY 54 Ca 0.07 -0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2bf5 n GLY 54 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bf5 s GLU 55 N 0.00 0.74 -0.13 1.61 2.12 -1.26 -1.22 118.70 120.57 2bf5 s GLU 55 Ca 0.00 0.52 -0.04 0.00 0.36 0.00 0.00 54.97 55.81 2bf5 s GLU 55 Cb 0.00 0.36 0.06 0.00 0.26 0.00 0.00 34.13 34.80 2bf5 s GLU 55 CO 0.00 -0.15 0.12 -1.17 -0.54 0.00 0.00 175.26 173.52 2bf5 s LEU 56 N -0.28 0.12 -0.09 2.70 0.20 0.08 -4.76 118.68 116.65 2bf5 s LEU 56 Ca -0.04 -0.17 -0.09 0.00 0.69 0.00 0.00 54.13 54.52 2bf5 s LEU 56 Cb -0.03 0.01 -0.04 0.00 -0.43 0.00 0.00 46.19 45.70 2bf5 s LEU 56 CO 0.03 -0.30 0.21 -0.63 -0.29 0.00 0.00 176.35 175.37 2bf5 s ILE 57 N 2.22 5.39 -0.18 6.68 1.01 -1.26 -0.93 121.20 134.12 2bf5 s ILE 57 Ca 0.04 0.34 0.00 0.00 0.00 0.00 0.00 60.65 61.04 2bf5 s ILE 57 Cb -0.14 -3.48 0.04 0.00 0.01 0.00 0.00 42.46 38.89 2bf5 s ILE 57 CO -0.07 0.60 -0.09 -0.76 0.00 0.00 0.00 174.94 174.61 2bf5 s LEU 58 N -1.08 2.02 0.19 2.97 1.43 -0.06 -4.62 118.68 119.53 2bf5 s LEU 58 Ca 0.18 -0.78 -0.12 0.00 -1.03 0.00 0.00 54.13 52.38 2bf5 s LEU 58 Cb -0.13 -1.14 -0.07 0.00 0.03 0.00 0.00 46.19 44.88 2bf5 s LEU 58 CO 0.07 -0.14 0.55 0.42 0.23 0.00 0.00 176.35 177.48 2bf5 s THR 59 N 1.47 4.89 0.21 5.49 -4.23 -1.26 -1.24 115.64 120.97 2bf5 s THR 59 Ca 0.00 0.67 -0.10 0.00 -1.18 0.00 0.00 61.69 61.08 2bf5 s THR 59 Cb -0.16 -3.68 0.15 0.00 1.34 0.00 0.00 72.50 70.16 2bf5 s THR 59 CO -0.08 0.09 1.86 -0.09 -0.54 0.00 0.00 174.62 175.86 2bf5 h ARG 60 N 3.07 0.89 -0.36 3.99 2.43 -1.23 -1.72 114.38 121.46 2bf5 h ARG 60 Ca -0.48 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 58.67 2bf5 h ARG 60 Cb 1.18 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.50 2bf5 h ARG 60 CO 0.67 0.59 0.17 0.87 -1.51 0.00 0.00 179.97 180.76 2bf5 h LYS 61 N 0.92 0.34 -0.42 0.20 1.57 -1.94 -0.40 116.57 116.84 2bf5 h LYS 61 Ca 0.29 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.93 2bf5 h LYS 61 Cb -0.02 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2bf5 h LYS 61 CO -0.10 0.23 -0.20 1.15 -0.57 0.00 0.00 179.45 179.96 2bf5 h THR 62 N 0.35 1.28 -0.82 -0.16 2.02 -1.91 -1.91 112.91 111.77 2bf5 h THR 62 Ca 0.15 -1.35 -0.01 0.00 0.77 0.00 0.00 66.41 65.98 2bf5 h THR 62 Cb 0.08 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.69 2bf5 h THR 62 CO -0.12 0.45 0.46 -0.07 0.37 0.00 0.00 175.52 176.62 2bf5 h LEU 63 N 0.71 1.01 -0.56 2.58 3.38 -1.03 -0.07 115.31 121.33 2bf5 h LEU 63 Ca 0.10 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2bf5 h LEU 63 Cb 0.76 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2bf5 h LEU 63 CO 0.06 0.80 0.23 -0.08 0.09 0.00 0.00 178.44 179.54 2bf5 h GLU 64 N 1.13 0.84 -0.58 1.13 4.81 -0.91 -0.80 114.58 120.21 2bf5 h GLU 64 Ca 0.29 -0.15 -0.10 0.00 -0.13 0.00 0.00 59.36 59.27 2bf5 h GLU 64 Cb 0.01 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 2bf5 h GLU 64 CO -0.05 0.73 -0.01 0.93 -0.73 0.00 0.00 179.01 179.87 2bf5 h GLU 65 N 0.77 1.02 -0.56 1.92 5.08 -0.95 0.27 114.58 122.13 2bf5 h GLU 65 Ca 0.19 -0.32 -0.05 0.00 -1.00 0.00 0.00 59.36 58.17 2bf5 h GLU 65 Cb 0.20 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 2bf5 h GLU 65 CO -0.02 1.01 0.14 1.96 -1.00 0.00 0.00 179.01 181.10 2bf5 h GLN 66 N 0.93 0.87 0.00 2.33 1.08 -0.66 -3.11 115.11 116.55 2bf5 h GLN 66 Ca 0.17 -0.18 -0.16 0.00 -1.45 0.00 0.00 58.65 57.02 2bf5 h GLN 66 Cb 0.56 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 2bf5 h GLN 66 CO 0.03 0.78 -0.79 -0.07 -0.95 0.00 0.00 178.83 177.83 2bf5 h LEU 67 N 0.83 0.00 0.17 1.46 3.38 -0.78 -3.48 115.31 116.90 2bf5 h LEU 67 Ca 0.18 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 2bf5 h LEU 67 Cb 0.30 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2bf5 h LEU 67 CO -0.00 0.77 -0.06 0.61 0.09 0.00 0.00 178.44 179.85 2bf5 n GLY 68 N 1.30 0.61 3.51 0.83 0.00 0.92 -5.00 105.19 107.35 2bf5 n GLY 68 Ca 0.01 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.37 1.36 0.29 1.61 1.04 -1.19 -5.05 118.95 114.64 2bf5 s ARG 69 Ca 0.00 -0.71 -0.29 0.00 -1.04 0.00 0.00 55.73 53.69 2bf5 s ARG 69 Cb 0.00 0.56 -0.13 0.00 -2.04 0.00 0.00 34.95 33.33 2bf5 s ARG 69 CO 0.00 -0.59 1.21 -2.30 -0.04 0.00 0.00 175.30 173.58 2bf5 n PRO 70 N -0.36 1.77 -3.74 3.89 -0.02 -1.26 -4.74 135.00 130.54 2bf5 n PRO 70 Ca -0.13 0.62 -0.12 0.00 -2.02 0.00 0.00 63.50 61.86 2bf5 n PRO 70 Cb 0.63 -2.14 -0.12 0.00 -0.02 0.00 0.00 33.50 31.85 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 -0.81 -0.37 -0.01 6.00 5.36 -1.26 -5.06 117.98 121.83 2bf5 s PHE 71 Ca 0.60 0.87 0.07 0.00 -0.96 0.00 0.00 56.93 57.52 2bf5 s PHE 71 Cb -0.65 0.11 -0.02 0.00 -0.34 0.00 0.00 43.02 42.12 2bf5 s PHE 71 CO 0.58 -0.22 -0.23 1.21 -1.46 0.00 0.00 175.22 175.10 2bf5 s ASN 72 N 0.86 3.35 0.54 6.13 3.84 -1.26 -4.88 114.94 123.52 2bf5 s ASN 72 Ca -0.06 -0.43 0.31 0.00 0.21 0.00 0.00 52.86 52.89 2bf5 s ASN 72 Cb -0.07 -0.47 1.47 0.00 -0.55 0.00 0.00 41.25 41.64 2bf5 s ASN 72 CO -0.06 0.31 1.89 0.24 -2.79 0.00 0.00 177.10 176.70 2bf5 h MET 73 N 5.25 0.00 -0.93 0.43 2.86 -1.90 -0.94 114.93 119.70 2bf5 h MET 73 Ca -0.45 0.00 0.20 0.00 -2.06 0.00 0.00 59.70 57.39 2bf5 h MET 73 Cb 1.13 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.72 2bf5 h MET 73 CO 0.47 0.00 0.61 0.37 1.06 0.00 0.00 176.91 179.42 2bf5 h GLN 74 N 0.00 0.49 -0.27 1.72 -0.00 -1.95 -1.82 115.11 113.27 2bf5 h GLN 74 Ca 0.39 -0.03 -0.10 0.00 -0.00 0.00 0.00 58.65 58.91 2bf5 h GLN 74 Cb 1.61 -0.11 -0.01 0.00 0.00 0.00 0.00 27.48 28.97 2bf5 h GLN 74 CO -0.00 0.32 -0.25 1.49 0.00 0.00 0.00 178.83 180.39 2bf5 h GLU 75 N 0.50 0.53 0.04 1.69 4.81 -1.59 -0.81 114.58 119.74 2bf5 h GLU 75 Ca 0.50 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.52 2bf5 h GLU 75 Cb 1.10 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.46 2bf5 h GLU 75 CO -0.22 0.74 -0.02 1.25 -0.73 0.00 0.00 179.01 180.03 2bf5 h LEU 76 N 0.47 -0.04 -0.99 1.64 5.85 -1.50 -3.22 115.31 117.51 2bf5 h LEU 76 Ca 0.07 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.37 2bf5 h LEU 76 Cb 0.69 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 2bf5 h LEU 76 CO 0.05 0.41 0.65 -0.33 -0.34 0.00 0.00 178.44 178.88 2bf5 h GLU 77 N -0.51 1.31 0.00 1.25 5.08 -1.10 -0.98 114.58 119.64 2bf5 h GLU 77 Ca -0.01 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2bf5 h GLU 77 Cb 0.46 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2bf5 h GLU 77 CO 0.01 0.88 0.00 1.51 -1.00 0.00 0.00 179.01 180.41 2bf5 n ILE 78 N -4.38 0.63 -0.55 3.13 3.06 -0.33 -2.78 119.36 118.14 2bf5 n ILE 78 Ca 0.12 0.05 0.07 0.00 -2.50 0.00 0.00 62.75 60.49 2bf5 n ILE 78 Cb 0.02 -0.84 0.23 0.00 0.54 0.00 0.00 39.64 39.59 2bf5 n ILE 78 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 2bf5 n ASN 79 N -1.94 3.63 -4.68 9.51 3.02 -0.41 -4.93 115.26 119.47 2bf5 n ASN 79 Ca 0.04 -2.45 -0.42 0.00 -0.03 0.00 0.00 54.58 51.73 2bf5 n ASN 79 Cb 0.29 -0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 39.02 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 -1.81 4.19 0.16 3.41 1.43 -0.96 -1.69 118.68 123.41 2bf5 s LEU 80 Ca 0.35 1.33 -0.04 0.00 -1.03 0.00 0.00 54.13 54.75 2bf5 s LEU 80 Cb 0.24 -3.39 0.00 0.00 0.03 0.00 0.00 46.19 43.07 2bf5 s LEU 80 CO 0.15 -0.45 1.40 0.00 0.23 0.00 0.00 176.35 177.68 2bf5 h ALA 81 N 7.25 0.52 -1.45 4.21 0.00 -1.05 -3.46 119.26 125.28 2bf5 h ALA 81 Ca -0.29 -0.62 0.01 0.00 0.00 0.00 0.00 54.91 54.02 2bf5 h ALA 81 Cb 1.13 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2bf5 h ALA 81 CO 0.86 0.75 0.03 0.45 0.00 0.00 0.00 179.25 181.35 2bf5 n SER 82 N -3.85 -0.07 -3.45 0.00 2.88 -1.21 -5.04 113.62 102.88 2bf5 n SER 82 Ca -0.05 -1.03 -0.11 0.00 -1.33 0.00 0.00 58.87 56.35 2bf5 n SER 82 Cb 0.73 0.11 -0.02 0.00 -0.75 0.00 0.00 64.21 64.28 2bf5 n SER 82 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2bf5 s PHE 83 N -4.69 -0.47 -0.04 0.66 -0.12 -1.26 -1.58 117.98 110.48 2bf5 s PHE 83 Ca 0.01 0.28 -0.01 0.00 -0.05 0.00 0.00 56.93 57.16 2bf5 s PHE 83 Cb -0.00 0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 42.91 2bf5 s PHE 83 CO 0.00 -0.77 0.05 0.00 -0.05 0.00 0.00 175.22 174.45 2bf5 s ALA 84 N -3.56 3.47 0.00 1.99 0.00 -0.01 -4.95 121.76 118.69 2bf5 s ALA 84 Ca 0.02 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.14 2bf5 s ALA 84 Cb -0.01 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.56 2bf5 s ALA 84 CO -0.11 0.64 0.00 0.41 0.00 0.00 0.00 175.76 176.70 2bf5 n GLY 85 N 1.60 -2.26 3.96 0.00 0.00 -1.26 -1.52 105.19 105.71 2bf5 n GLY 85 Ca -0.16 -1.72 -0.22 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.27 3.44 0.00 1.61 -1.52 0.39 -4.84 119.66 118.48 2bf5 s GLN 86 Ca 0.00 -0.70 0.08 0.00 -1.95 0.00 0.00 55.36 52.79 2bf5 s GLN 86 Cb 0.00 -2.88 -0.02 0.00 -0.22 0.00 0.00 33.01 29.88 2bf5 s GLN 86 CO 0.00 0.42 -0.26 0.96 -0.25 0.00 0.00 175.29 176.17 2bf5 s ILE 87 N -1.97 2.04 -0.14 1.08 -4.36 -1.26 -0.85 121.20 115.74 2bf5 s ILE 87 Ca 0.35 -1.19 0.02 0.00 -0.26 0.00 0.00 60.65 59.57 2bf5 s ILE 87 Cb -0.09 -1.71 0.00 0.00 1.25 0.00 0.00 42.46 41.91 2bf5 s ILE 87 CO 0.29 0.49 -0.20 -1.10 0.24 0.00 0.00 174.94 174.67 2bf5 s GLN 88 N -0.82 3.10 -0.00 0.37 -0.21 -0.51 -4.99 119.66 116.60 2bf5 s GLN 88 Ca 0.10 -0.82 -0.00 0.00 0.02 0.00 0.00 55.36 54.66 2bf5 s GLN 88 Cb -0.10 -2.48 -0.00 0.00 1.00 0.00 0.00 33.01 31.44 2bf5 s GLN 88 CO 0.00 0.04 0.01 0.00 -2.12 0.00 0.00 175.29 173.22 2bf5 s ALA 89 N 0.71 -0.02 0.00 6.09 0.00 -1.26 -0.58 121.76 126.69 2bf5 s ALA 89 Ca -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.85 2bf5 s ALA 89 Cb -0.16 -0.00 0.00 0.00 0.00 0.00 0.00 23.12 22.96 2bf5 s ALA 89 CO 0.01 -0.02 0.00 -0.40 0.00 0.00 0.00 175.76 175.35 2bf5 n ASP 90 N 2.93 0.00 0.16 0.00 5.68 -0.44 -5.02 116.55 119.86 2bf5 n ASP 90 Ca -0.13 -0.13 0.13 0.00 -0.50 0.00 0.00 54.79 54.16 2bf5 n ASP 90 Cb 0.59 0.00 0.43 0.00 -1.14 0.00 0.00 41.12 41.01 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 4.11 -2.02 -3.26 114.58 113.52 2bf5 h GLU 91 Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.23 2bf5 h GLU 91 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2bf5 h GLU 91 CO 0.00 0.00 -2.20 -0.25 0.07 0.00 0.00 179.01 176.63 2bf5 n ASP 92 N -2.51 0.07 -3.63 3.06 8.00 -1.26 -4.57 116.55 115.71 2bf5 n ASP 92 Ca 0.04 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.48 2bf5 n ASP 92 Cb 0.37 1.43 -0.02 0.00 -0.02 0.00 0.00 41.12 42.88 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 -2.93 0.97 -0.03 -1.24 -2.07 -1.23 -0.71 119.66 112.43 2bf5 s GLN 93 Ca -0.09 -0.47 0.06 0.00 -1.82 0.00 0.00 55.36 53.04 2bf5 s GLN 93 Cb 0.09 0.38 -0.01 0.00 -1.09 0.00 0.00 33.01 32.38 2bf5 s GLN 93 CO 0.85 -0.44 -0.20 -1.50 -1.32 0.00 0.00 175.29 172.68 2bf5 s ILE 94 N -3.16 1.65 -0.22 3.63 2.07 -0.37 -1.33 121.20 123.47 2bf5 s ILE 94 Ca 0.09 -0.87 0.02 0.00 -1.41 0.00 0.00 60.65 58.48 2bf5 s ILE 94 Cb -0.01 -1.39 0.04 0.00 0.13 0.00 0.00 42.46 41.23 2bf5 s ILE 94 CO -0.03 0.47 -0.16 -0.60 -1.91 0.00 0.00 174.94 172.70 2bf5 s ARG 95 N -0.28 2.66 -0.01 3.50 3.52 0.25 -0.88 118.95 127.72 2bf5 s ARG 95 Ca 0.03 -1.06 -0.24 0.00 -0.13 0.00 0.00 55.73 54.33 2bf5 s ARG 95 Cb -0.10 -2.71 -0.05 0.00 -1.56 0.00 0.00 34.95 30.53 2bf5 s ARG 95 CO 0.01 -0.37 0.71 -0.06 -0.81 0.00 0.00 175.30 174.78 2bf5 s PHE 96 N 1.21 3.66 0.05 5.12 0.40 -0.11 -1.42 117.98 126.89 2bf5 s PHE 96 Ca -0.01 1.34 -0.18 0.00 -0.60 0.00 0.00 56.93 57.48 2bf5 s PHE 96 Cb -0.16 -2.78 0.04 0.00 0.51 0.00 0.00 43.02 40.62 2bf5 s PHE 96 CO -0.09 0.21 0.42 1.52 0.70 0.00 0.00 175.22 177.98 2bf5 s TYR 97 N 0.27 -0.27 -0.10 0.36 -0.85 -0.03 -0.74 117.35 115.99 2bf5 s TYR 97 Ca 0.37 0.22 -0.18 0.00 -0.52 0.00 0.00 57.07 56.96 2bf5 s TYR 97 Cb -0.19 0.23 -0.04 0.00 0.38 0.00 0.00 41.96 42.34 2bf5 s TYR 97 CO 0.20 -0.59 0.49 0.12 -1.52 0.00 0.00 175.55 174.25 2bf5 s PHE 98 N -2.57 3.55 -0.24 -3.49 5.36 -0.36 -0.46 117.98 119.76 2bf5 s PHE 98 Ca -0.05 0.94 0.02 0.00 -0.96 0.00 0.00 56.93 56.88 2bf5 s PHE 98 Cb -0.01 -2.54 0.06 0.00 -0.34 0.00 0.00 43.02 40.19 2bf5 s PHE 98 CO -0.03 0.22 -0.08 0.34 -1.46 0.00 0.00 175.22 174.21 2bf5 s ASP 99 N 0.42 4.07 0.62 6.13 -1.08 -1.26 -5.00 116.67 120.57 2bf5 s ASP 99 Ca 0.27 -1.25 0.39 0.00 -0.52 0.00 0.00 52.55 51.44 2bf5 s ASP 99 Cb -0.16 -1.34 2.06 0.00 -1.46 0.00 0.00 42.92 42.02 2bf5 s ASP 99 CO 0.11 -0.21 2.25 0.50 0.52 0.00 0.00 175.17 178.35 2bf5 h LYS 100 N 7.88 0.00 -0.00 4.34 3.64 -2.02 -2.70 116.57 127.70 2bf5 h LYS 100 Ca -0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 2bf5 h LYS 100 Cb 1.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2bf5 h LYS 100 CO 0.44 0.01 -0.37 0.25 -2.27 0.00 0.00 179.45 177.51 2bf5 n THR 101 N -3.20 0.00 0.65 1.00 -2.24 -1.26 -5.32 114.28 103.90 2bf5 n THR 101 Ca -0.02 -0.06 0.08 0.00 -2.27 0.00 0.00 64.05 61.78 2bf5 n THR 101 Cb 0.14 0.28 0.06 0.00 -2.10 0.00 0.00 70.33 68.71 2bf5 n THR 101 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73