#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yj9 s LYS 2 N 0.00 4.17 0.43 1.61 -0.14 -1.26 -5.06 119.74 119.50 1yj9 s LYS 2 Ca 0.00 0.77 0.02 0.00 -1.36 0.00 0.00 55.97 55.39 1yj9 s LYS 2 Cb 0.00 -3.63 -0.00 0.00 -1.68 0.00 0.00 37.83 32.52 1yj9 s LYS 2 CO 0.00 -0.42 0.64 -1.59 -0.76 0.00 0.00 175.35 173.22 1yj9 s LYS 3 N 2.51 3.03 0.36 1.68 -2.85 -1.26 -5.12 119.74 118.10 1yj9 s LYS 3 Ca 0.31 -0.63 0.07 0.00 -1.00 0.00 0.00 55.97 54.73 1yj9 s LYS 3 Cb -0.16 -2.61 -0.02 0.00 -2.06 0.00 0.00 37.83 32.99 1yj9 s LYS 3 CO 0.09 -0.24 0.37 -1.54 0.10 0.00 0.00 175.35 174.13 1yj9 s SER 4 N -4.23 5.37 0.47 0.03 1.04 -1.26 -4.94 113.70 110.17 1yj9 s SER 4 Ca 0.48 -0.51 0.12 0.00 0.48 0.00 0.00 55.95 56.53 1yj9 s SER 4 Cb -0.10 -0.88 1.07 0.00 0.10 0.00 0.00 66.02 66.22 1yj9 s SER 4 CO 0.36 -0.48 2.09 0.50 0.98 0.00 0.00 173.24 176.69 1yj9 h LYS 5 N 1.07 0.27 -0.01 4.02 3.64 -1.99 0.75 116.57 124.33 1yj9 h LYS 5 Ca -0.44 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.92 1yj9 h LYS 5 Cb 1.26 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1yj9 h LYS 5 CO 0.56 0.18 -0.02 0.00 -2.27 0.00 0.00 179.45 177.90 1yj9 h ALA 6 N 1.86 0.01 -0.17 5.00 0.00 -2.00 -2.55 119.26 121.42 1yj9 h ALA 6 Ca 0.09 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.73 1yj9 h ALA 6 Cb 0.04 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1yj9 h ALA 6 CO -0.02 -0.17 -0.07 1.15 0.00 0.00 0.00 179.25 180.14 1yj9 h THR 7 N -0.55 0.77 -0.66 0.00 2.02 -1.84 -1.04 112.91 111.61 1yj9 h THR 7 Ca -0.00 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.31 1yj9 h THR 7 Cb 0.62 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 1yj9 h THR 7 CO 0.00 0.00 0.45 0.50 0.37 0.00 0.00 175.52 176.84 1yj9 h LYS 8 N -0.04 0.34 0.01 6.66 3.64 -0.90 -0.19 116.57 126.09 1yj9 h LYS 8 Ca 0.09 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1yj9 h LYS 8 Cb 0.18 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1yj9 h LYS 8 CO -0.20 0.22 -0.00 0.87 -2.27 0.00 0.00 179.45 178.07 1yj9 h LYS 9 N 0.35 -0.01 -0.44 1.90 1.57 -0.78 -2.08 116.57 117.08 1yj9 h LYS 9 Ca 0.32 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 59.17 1yj9 h LYS 9 Cb 0.76 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.01 1yj9 h LYS 9 CO -0.08 0.51 0.07 0.00 -0.57 0.00 0.00 179.45 179.37 1yj9 h ARG 10 N -0.54 0.19 -0.45 3.15 3.08 -0.38 -0.29 114.38 119.14 1yj9 h ARG 10 Ca -0.00 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.09 1yj9 h ARG 10 Cb 0.53 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.49 1yj9 h ARG 10 CO 0.00 0.12 0.17 -0.07 -1.07 0.00 0.00 179.97 179.12 1yj9 h LEU 11 N 0.19 0.19 -0.62 3.04 3.38 -1.10 -0.38 115.31 120.01 1yj9 h LEU 11 Ca 0.22 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.32 1yj9 h LEU 11 Cb 0.28 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 1yj9 h LEU 11 CO -0.30 0.14 0.27 0.00 0.09 0.00 0.00 178.44 178.64 1yj9 h ALA 12 N 1.28 0.81 -0.02 1.53 0.00 -0.42 0.17 119.26 122.61 1yj9 h ALA 12 Ca 0.21 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1yj9 h ALA 12 Cb 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1yj9 h ALA 12 CO -0.20 -0.13 0.01 -0.22 0.00 0.00 0.00 179.25 178.71 1yj9 h LYS 13 N 0.48 0.02 -0.67 0.00 3.64 -0.34 -1.91 116.57 117.79 1yj9 h LYS 13 Ca 0.30 -0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.78 1yj9 h LYS 13 Cb 0.33 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.07 1yj9 h LYS 13 CO -0.27 0.03 0.30 -0.07 -2.27 0.00 0.00 179.45 177.17 1yj9 h LEU 14 N 0.01 0.35 -1.04 5.20 3.38 -0.06 0.84 115.31 123.99 1yj9 h LEU 14 Ca 0.01 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1yj9 h LEU 14 Cb 0.01 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 1yj9 h LEU 14 CO -0.00 0.20 0.59 -0.78 0.09 0.00 0.00 178.44 178.54 1yj9 h ASP 15 N 0.51 1.09 -0.25 -0.43 3.58 -0.38 -2.66 116.42 117.88 1yj9 h ASP 15 Ca 0.34 -0.04 -0.15 0.00 0.42 0.00 0.00 57.03 57.59 1yj9 h ASP 15 Cb 0.39 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 1yj9 h ASP 15 CO -0.29 0.81 -0.39 -1.13 -2.88 0.00 0.00 179.24 175.36 1yj9 h ASN 16 N 1.27 0.84 0.42 2.28 -0.00 -0.26 -2.64 115.58 117.50 1yj9 h ASN 16 Ca 0.34 -0.38 0.00 0.00 -0.00 0.00 0.00 56.30 56.26 1yj9 h ASN 16 Cb -0.11 -0.24 0.00 0.00 -0.00 0.00 0.00 38.32 37.97 1yj9 h ASN 16 CO -0.07 1.13 0.00 1.56 -0.00 0.00 0.00 177.43 180.05 1yj9 h GLN 17 N 0.65 0.00 -2.10 6.67 4.20 -0.59 -3.15 115.11 120.79 1yj9 h GLN 17 Ca 0.06 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.25 1yj9 h GLN 17 Cb 0.94 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 28.56 1yj9 h GLN 17 CO 0.09 0.00 0.65 -1.71 -0.67 0.00 0.00 178.83 177.19 1yj9 n ASN 18 N -2.64 6.63 -4.26 1.46 4.05 -1.00 -4.88 115.26 114.62 1yj9 n ASN 18 Ca -0.00 -3.14 -0.17 0.00 0.45 0.00 0.00 54.58 51.72 1yj9 n ASN 18 Cb 0.15 -1.27 -0.11 0.00 1.23 0.00 0.00 39.78 39.79 1yj9 n ASN 18 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1yj9 s SER 19 N 0.50 2.07 0.98 1.20 1.04 -1.19 -4.97 113.70 113.32 1yj9 s SER 19 Ca 0.59 -0.89 -0.12 0.00 0.48 0.00 0.00 55.95 56.01 1yj9 s SER 19 Cb 0.35 -0.07 0.12 0.00 0.10 0.00 0.00 66.02 66.52 1yj9 s SER 19 CO -0.19 -0.19 0.76 -2.11 0.98 0.00 0.00 173.24 172.49 1yj9 n ARG 20 N 0.21 -0.75 -2.81 4.02 1.85 -1.26 -4.91 116.66 113.02 1yj9 n ARG 20 Ca -0.13 -0.17 -0.43 0.00 -1.00 0.00 0.00 57.85 56.12 1yj9 n ARG 20 Cb 0.58 -2.10 -0.04 0.00 -1.05 0.00 0.00 32.46 29.85 1yj9 n ARG 20 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1yj9 s VAL 21 N -2.49 4.34 0.01 8.89 1.01 -1.26 -4.95 120.40 125.95 1yj9 s VAL 21 Ca 0.62 0.35 -0.11 0.00 0.00 0.00 0.00 61.98 62.84 1yj9 s VAL 21 Cb -0.22 -4.56 -0.06 0.00 0.00 0.00 0.00 36.38 31.54 1yj9 s VAL 21 CO 0.63 -1.15 0.29 -0.81 0.00 0.00 0.00 175.10 174.06 1yj9 n PRO 22 N 7.59 0.00 -0.30 2.72 -0.04 -1.26 -4.78 135.00 138.93 1yj9 n PRO 22 Ca 0.02 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.62 1yj9 n PRO 22 Cb 0.48 -0.41 0.29 0.00 -0.04 0.00 0.00 33.50 33.81 1yj9 n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1yj9 h ALA 23 N 0.79 1.27 -0.53 0.55 0.00 -2.00 -1.66 119.26 117.69 1yj9 h ALA 23 Ca -0.14 0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1yj9 h ALA 23 Cb 0.41 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1yj9 h ALA 23 CO 0.18 -0.49 0.02 0.11 0.00 0.00 0.00 179.25 179.07 1yj9 h TRP 24 N 0.17 0.93 -0.90 0.00 5.08 -2.02 -2.85 115.95 116.37 1yj9 h TRP 24 Ca 0.56 -0.13 0.23 0.00 1.08 0.00 0.00 58.89 60.63 1yj9 h TRP 24 Cb 1.14 -0.25 -0.06 0.00 -3.00 0.00 0.00 29.16 26.99 1yj9 h TRP 24 CO -0.29 0.84 0.61 0.28 -1.28 0.00 0.00 178.44 178.60 1yj9 h VAL 25 N 0.82 0.62 -0.13 0.12 2.07 -1.61 0.42 116.25 118.56 1yj9 h VAL 25 Ca 0.16 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.63 1yj9 h VAL 25 Cb 0.46 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1yj9 h VAL 25 CO 0.02 0.04 -0.05 0.24 0.02 0.00 0.00 177.57 177.84 1yj9 h MET 26 N 0.23 -0.04 -0.08 1.57 2.86 -1.58 -0.39 114.93 117.51 1yj9 h MET 26 Ca 0.45 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 58.06 1yj9 h MET 26 Cb 1.40 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 33.07 1yj9 h MET 26 CO -0.11 -0.02 -0.10 -0.07 1.06 0.00 0.00 176.91 177.66 1yj9 h LEU 27 N -0.04 0.24 -1.83 1.22 3.38 -1.11 2.09 115.31 119.26 1yj9 h LEU 27 Ca 0.07 -0.50 0.16 0.00 0.09 0.00 0.00 57.88 57.69 1yj9 h LEU 27 Cb 0.14 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1yj9 h LEU 27 CO -0.15 0.69 0.45 0.50 0.09 0.00 0.00 178.44 180.01 1yj9 h LYS 28 N -0.22 0.16 -0.51 1.13 3.64 -1.03 0.37 116.57 120.12 1yj9 h LYS 28 Ca 0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1yj9 h LYS 28 Cb 0.63 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1yj9 h LYS 28 CO 0.02 0.11 0.00 0.25 -2.27 0.00 0.00 179.45 177.56 1yj9 n THR 29 N -4.41 1.87 -3.26 1.00 -2.24 -0.17 -4.93 114.28 102.14 1yj9 n THR 29 Ca 0.12 -1.33 -0.22 0.00 -2.27 0.00 0.00 64.05 60.34 1yj9 n THR 29 Cb 0.60 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 1yj9 n THR 29 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1yj9 n ASP 30 N 0.62 -3.99 -0.36 3.42 8.00 0.12 -1.36 116.55 123.01 1yj9 n ASP 30 Ca 0.23 -0.34 -0.05 0.00 0.71 0.00 0.00 54.79 55.34 1yj9 n ASP 30 Cb 0.84 -3.29 -0.02 0.00 -0.02 0.00 0.00 41.12 38.63 1yj9 n ASP 30 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1yj9 n ARG 31 N -3.70 -0.90 0.00 -1.24 1.74 0.70 -4.88 116.66 108.39 1yj9 n ARG 31 Ca -0.03 0.53 0.09 0.00 -0.77 0.00 0.00 57.85 57.66 1yj9 n ARG 31 Cb 0.55 -4.37 0.40 0.00 -1.02 0.00 0.00 32.46 28.02 1yj9 n ARG 31 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1yj9 n GLU 32 N -1.72 0.01 -3.86 5.56 1.02 -0.46 -4.41 120.64 116.77 1yj9 n GLU 32 Ca -0.05 0.18 -0.29 0.00 -0.02 0.00 0.00 57.16 56.98 1yj9 n GLU 32 Cb 0.30 -1.50 -0.16 0.00 -0.02 0.00 0.00 31.44 30.06 1yj9 n GLU 32 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1yj9 s VAL 33 N -2.98 1.15 0.00 2.62 1.01 -1.26 -4.96 120.40 115.98 1yj9 s VAL 33 Ca 0.09 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1yj9 s VAL 33 Cb 0.12 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 35.00 1yj9 s VAL 33 CO 0.34 -0.14 0.00 0.00 0.00 0.00 0.00 175.10 175.30 1yj9 n GLN 34 N 4.81 0.00 -3.22 2.72 6.02 -1.26 -4.30 117.38 122.15 1yj9 n GLN 34 Ca -0.11 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.49 1yj9 n GLN 34 Cb 0.45 -0.55 -0.06 0.00 1.02 0.00 0.00 30.24 31.11 1yj9 n GLN 34 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1yj9 s ARG 35 N -1.52 4.31 -0.89 -1.09 3.00 -1.26 -4.60 118.95 116.90 1yj9 s ARG 35 Ca 0.00 0.70 -0.21 0.00 0.00 0.00 0.00 55.73 56.22 1yj9 s ARG 35 Cb 0.00 -3.35 0.10 0.00 0.00 0.00 0.00 34.95 31.69 1yj9 s ARG 35 CO 0.00 0.34 1.17 1.21 0.00 0.00 0.00 175.30 178.02 1yj9 s ASN 36 N -0.08 6.50 0.00 0.23 3.84 -1.26 -4.85 114.94 119.32 1yj9 s ASN 36 Ca 0.31 -1.67 0.00 0.00 0.21 0.00 0.00 52.86 51.71 1yj9 s ASN 36 Cb -0.18 -2.45 0.00 0.00 -0.55 0.00 0.00 41.25 38.08 1yj9 s ASN 36 CO 0.16 -1.26 0.11 1.41 -2.79 0.00 0.00 177.10 174.73 1yj9 n HIS 37 N 7.37 0.00 -2.66 0.43 8.25 -1.26 -2.48 115.22 124.86 1yj9 n HIS 37 Ca 0.20 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.65 1yj9 n HIS 37 Cb 0.49 -0.01 0.04 0.00 1.12 0.00 0.00 29.99 31.63 1yj9 n HIS 37 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1yj9 n LYS 38 N 0.22 1.45 -2.59 -0.41 5.02 -1.26 -5.08 118.16 115.50 1yj9 n LYS 38 Ca 0.00 -3.19 -0.42 0.00 -2.02 0.00 0.00 58.31 52.68 1yj9 n LYS 38 Cb 0.03 -1.27 -0.03 0.00 -0.02 0.00 0.00 35.03 33.75 1yj9 n LYS 38 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1yj9 s ARG 39 N -2.86 4.42 -0.27 1.97 0.52 -1.03 -4.74 118.95 116.96 1yj9 s ARG 39 Ca 0.31 1.53 0.01 0.00 -0.52 0.00 0.00 55.73 57.06 1yj9 s ARG 39 Cb 0.34 -3.51 0.08 0.00 0.52 0.00 0.00 34.95 32.38 1yj9 s ARG 39 CO -0.07 -0.31 -0.01 0.50 0.02 0.00 0.00 175.30 175.43 1yj9 s ARG 40 N 1.80 1.50 0.40 3.54 3.52 -1.26 -5.05 118.95 123.41 1yj9 s ARG 40 Ca 0.53 -1.23 -0.23 0.00 -0.13 0.00 0.00 55.73 54.66 1yj9 s ARG 40 Cb -0.22 -2.66 -0.10 0.00 -1.56 0.00 0.00 34.95 30.41 1yj9 s ARG 40 CO 0.22 -0.73 1.00 -1.58 -0.81 0.00 0.00 175.30 173.40 1yj9 s HIS 41 N 1.29 3.33 0.19 5.12 5.65 -1.26 -4.92 115.29 124.69 1yj9 s HIS 41 Ca 0.00 1.66 -0.09 0.00 0.25 0.00 0.00 55.06 56.87 1yj9 s HIS 41 Cb -0.19 -3.01 0.11 0.00 -1.18 0.00 0.00 32.58 28.31 1yj9 s HIS 41 CO -0.09 -0.35 1.72 0.11 -0.65 0.00 0.00 174.74 175.47 1yj9 h TRP 42 N 2.37 1.13 0.00 3.88 5.08 -2.00 -1.29 115.95 125.13 1yj9 h TRP 42 Ca -0.48 -0.12 -0.06 0.00 1.08 0.00 0.00 58.89 59.30 1yj9 h TRP 42 Cb 1.20 -0.32 -0.01 0.00 -3.00 0.00 0.00 29.16 27.03 1yj9 h TRP 42 CO 0.59 0.92 -0.48 -0.09 -1.28 0.00 0.00 178.44 178.11 1yj9 h ARG 43 N 1.02 0.00 0.00 0.12 2.43 -2.05 -3.39 114.38 112.52 1yj9 h ARG 43 Ca 0.22 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 1yj9 h ARG 43 Cb 0.34 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1yj9 h ARG 43 CO -0.00 0.43 -0.15 0.00 -1.51 0.00 0.00 179.97 178.74 1yj9 h ARG 44 N -1.00 0.00 -5.81 0.20 3.08 -1.98 -3.45 114.38 105.42 1yj9 h ARG 44 Ca -0.09 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.38 1yj9 h ARG 44 Cb 0.67 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.64 1yj9 h ARG 44 CO -0.05 0.15 -0.41 -0.80 -1.07 0.00 0.00 179.97 177.78 1yj9 s ASN 45 N -6.83 4.50 -0.08 7.04 0.01 -0.48 -4.94 114.94 114.16 1yj9 s ASN 45 Ca -0.04 -1.23 -0.01 0.00 -0.71 0.00 0.00 52.86 50.88 1yj9 s ASN 45 Cb 0.15 0.07 0.03 0.00 0.41 0.00 0.00 41.25 41.91 1yj9 s ASN 45 CO 0.67 -0.84 -0.03 -0.62 -1.51 0.00 0.00 177.10 174.77 1yj9 s ASP 46 N -4.07 1.62 0.21 -1.22 -1.08 -1.26 -4.74 116.67 106.13 1yj9 s ASP 46 Ca 0.32 -0.15 -0.23 0.00 -0.52 0.00 0.00 52.55 51.98 1yj9 s ASP 46 Cb 0.00 -0.55 -0.08 0.00 -1.46 0.00 0.00 42.92 40.83 1yj9 s ASP 46 CO 0.19 -0.15 0.77 0.42 0.52 0.00 0.00 175.17 176.92 1yj9 s THR 47 N 1.69 4.45 0.90 1.71 -4.23 -1.26 -5.04 115.64 113.87 1yj9 s THR 47 Ca 0.02 1.52 -0.10 0.00 -1.18 0.00 0.00 61.69 61.94 1yj9 s THR 47 Cb -0.13 -3.99 0.14 0.00 1.34 0.00 0.00 72.50 69.86 1yj9 s THR 47 CO -0.05 0.33 1.15 -1.81 -0.54 0.00 0.00 174.62 173.70 1yj9 s ASP 48 N -1.44 3.03 0.00 3.99 -0.00 -1.26 -5.24 116.67 115.75 1yj9 s ASP 48 Ca 0.41 2.18 0.00 0.00 -0.00 0.00 0.00 52.55 55.14 1yj9 s ASP 48 Cb -0.19 -2.57 0.00 0.00 -0.00 0.00 0.00 42.92 40.16 1yj9 s ASP 48 CO 0.23 -3.04 0.00 -0.62 -0.00 0.00 0.00 175.17 171.75