#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k73 s LYS 2 N 0.00 2.37 0.29 1.61 -0.14 -1.26 -5.10 119.74 117.51 1k73 s LYS 2 Ca 0.00 -1.34 -0.15 0.00 -1.36 0.00 0.00 55.97 53.11 1k73 s LYS 2 Cb 0.00 -3.26 -0.09 0.00 -1.68 0.00 0.00 37.83 32.81 1k73 s LYS 2 CO 0.00 -0.69 0.71 -1.59 -0.76 0.00 0.00 175.35 173.02 1k73 s LYS 3 N 1.24 4.03 0.68 1.68 -2.85 -1.26 -5.09 119.74 118.18 1k73 s LYS 3 Ca -0.03 0.67 -0.01 0.00 -1.00 0.00 0.00 55.97 55.60 1k73 s LYS 3 Cb -0.20 -2.55 0.10 0.00 -2.06 0.00 0.00 37.83 33.12 1k73 s LYS 3 CO -0.01 0.23 0.94 -1.54 0.10 0.00 0.00 175.35 175.07 1k73 s SER 4 N -2.14 4.59 0.18 0.03 1.04 -1.26 -4.91 113.70 111.23 1k73 s SER 4 Ca 0.51 -0.23 -0.11 0.00 0.48 0.00 0.00 55.95 56.60 1k73 s SER 4 Cb -0.12 -0.28 0.09 0.00 0.10 0.00 0.00 66.02 65.82 1k73 s SER 4 CO 0.18 -1.68 1.75 0.50 0.98 0.00 0.00 173.24 174.98 1k73 h LYS 5 N -0.40 0.94 -0.18 4.02 3.64 -1.99 -1.11 116.57 121.50 1k73 h LYS 5 Ca -0.38 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 58.83 1k73 h LYS 5 Cb 1.28 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1k73 h LYS 5 CO 0.44 0.77 0.06 0.00 -2.27 0.00 0.00 179.45 178.46 1k73 h ALA 6 N 1.12 0.23 -0.64 5.00 0.00 -2.00 -1.85 119.26 121.13 1k73 h ALA 6 Ca 0.22 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1k73 h ALA 6 Cb 0.16 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1k73 h ALA 6 CO -0.02 -0.16 0.39 1.15 0.00 0.00 0.00 179.25 180.60 1k73 h THR 7 N 0.12 1.06 -0.84 0.00 2.02 -1.92 -0.74 112.91 112.62 1k73 h THR 7 Ca 0.06 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 1k73 h THR 7 Cb 0.20 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 66.81 1k73 h THR 7 CO -0.00 0.14 0.51 0.50 0.37 0.00 0.00 175.52 177.04 1k73 h LYS 8 N 0.76 1.14 -0.41 6.66 3.64 -1.02 -0.55 116.57 126.79 1k73 h LYS 8 Ca 0.26 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1k73 h LYS 8 Cb 0.04 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 1k73 h LYS 8 CO -0.11 0.79 0.18 0.87 -2.27 0.00 0.00 179.45 178.91 1k73 h LYS 9 N 1.16 0.60 -0.49 1.90 1.57 -0.32 -1.61 116.57 119.38 1k73 h LYS 9 Ca 0.30 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1k73 h LYS 9 Cb -0.06 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1k73 h LYS 9 CO -0.06 0.54 0.30 0.00 -0.57 0.00 0.00 179.45 179.67 1k73 h ARG 10 N 0.52 0.66 -0.47 3.15 3.08 -0.56 -0.72 114.38 120.04 1k73 h ARG 10 Ca 0.14 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 1k73 h ARG 10 Cb 0.15 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1k73 h ARG 10 CO -0.01 0.47 0.06 -0.07 -1.07 0.00 0.00 179.97 179.35 1k73 h LEU 11 N 0.66 0.70 -0.43 3.04 3.38 -1.00 -1.16 115.31 120.50 1k73 h LEU 11 Ca 0.18 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1k73 h LEU 11 Cb -0.03 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1k73 h LEU 11 CO -0.03 0.73 0.27 0.00 0.09 0.00 0.00 178.44 179.50 1k73 h ALA 12 N 1.36 0.55 -0.42 1.53 0.00 -0.57 -0.28 119.26 121.42 1k73 h ALA 12 Ca 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1k73 h ALA 12 Cb 0.34 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1k73 h ALA 12 CO 0.01 0.02 0.23 -0.22 0.00 0.00 0.00 179.25 179.29 1k73 h LYS 13 N 0.58 0.59 -0.67 0.00 3.64 -0.43 -1.16 116.57 119.12 1k73 h LYS 13 Ca 0.16 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1k73 h LYS 13 Cb -0.04 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 1k73 h LYS 13 CO -0.03 0.48 0.44 -0.07 -2.27 0.00 0.00 179.45 178.00 1k73 h LEU 14 N 0.55 0.75 -0.63 5.20 3.38 -0.67 0.73 115.31 124.61 1k73 h LEU 14 Ca 0.15 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 1k73 h LEU 14 Cb 0.06 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1k73 h LEU 14 CO -0.02 0.54 -0.07 -0.78 0.09 0.00 0.00 178.44 178.20 1k73 h ASP 15 N 0.88 0.99 -0.53 -0.43 3.58 -0.20 -2.63 116.42 118.09 1k73 h ASP 15 Ca 0.25 -0.31 -0.11 0.00 0.42 0.00 0.00 57.03 57.29 1k73 h ASP 15 Cb -0.06 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.70 1k73 h ASP 15 CO -0.06 1.08 -0.10 -1.13 -2.88 0.00 0.00 179.24 176.16 1k73 h ASN 16 N 0.90 1.00 0.38 2.28 -0.00 -0.10 -2.34 115.58 117.71 1k73 h ASN 16 Ca 0.15 -0.35 0.00 0.00 -0.00 0.00 0.00 56.30 56.10 1k73 h ASN 16 Cb 0.62 -0.27 0.00 0.00 -0.00 0.00 0.00 38.32 38.67 1k73 h ASN 16 CO 0.04 1.11 0.00 0.00 -0.00 0.00 0.00 177.43 178.58 1k73 n GLN 17 N -4.18 0.12 -0.16 6.67 6.02 0.14 -2.21 117.38 123.78 1k73 n GLN 17 Ca 0.01 0.47 0.03 0.00 -0.01 0.00 0.00 57.00 57.49 1k73 n GLN 17 Cb 0.39 -1.79 0.09 0.00 1.02 0.00 0.00 30.24 29.96 1k73 n GLN 17 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1k73 n ASN 18 N -2.03 1.57 -4.90 1.08 4.05 -0.88 -4.80 115.26 109.35 1k73 n ASN 18 Ca 0.01 -2.11 -0.23 0.00 0.45 0.00 0.00 54.58 52.70 1k73 n ASN 18 Cb 0.13 -0.32 0.06 0.00 1.23 0.00 0.00 39.78 40.89 1k73 n ASN 18 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1k73 s SER 19 N -0.65 4.93 0.37 1.20 1.04 -0.94 -4.89 113.70 114.77 1k73 s SER 19 Ca 0.14 0.15 -0.02 0.00 0.48 0.00 0.00 55.95 56.69 1k73 s SER 19 Cb 0.09 -0.86 -0.04 0.00 0.10 0.00 0.00 66.02 65.31 1k73 s SER 19 CO 0.07 -1.45 0.62 -0.60 0.98 0.00 0.00 173.24 172.86 1k73 s ARG 20 N -5.03 3.54 -0.04 4.02 3.52 -1.26 -4.98 118.95 118.72 1k73 s ARG 20 Ca 0.60 -0.10 -0.30 0.00 -0.13 0.00 0.00 55.73 55.81 1k73 s ARG 20 Cb -0.10 -2.57 -0.06 0.00 -1.56 0.00 0.00 34.95 30.66 1k73 s ARG 20 CO 0.42 0.06 1.74 0.08 -0.81 0.00 0.00 175.30 176.79 1k73 s VAL 21 N -2.39 3.44 0.46 7.11 1.01 -1.26 -4.91 120.40 123.87 1k73 s VAL 21 Ca 0.43 0.53 -0.23 0.00 0.00 0.00 0.00 61.98 62.71 1k73 s VAL 21 Cb -0.10 -3.35 -0.09 0.00 0.00 0.00 0.00 36.38 32.84 1k73 s VAL 21 CO 0.37 -0.06 0.96 -0.81 0.00 0.00 0.00 175.10 175.56 1k73 n PRO 22 N 7.29 1.20 -0.18 2.72 -0.04 -1.26 -4.88 135.00 139.85 1k73 n PRO 22 Ca 0.18 0.44 -0.02 0.00 -0.04 0.00 0.00 63.50 64.06 1k73 n PRO 22 Cb 0.42 -2.03 0.08 0.00 -0.04 0.00 0.00 33.50 31.93 1k73 n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k73 h ALA 23 N 1.25 0.67 -0.71 0.55 0.00 -2.02 -1.56 119.26 117.44 1k73 h ALA 23 Ca -0.45 0.08 0.17 0.00 0.00 0.00 0.00 54.91 54.71 1k73 h ALA 23 Cb 1.35 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 1k73 h ALA 23 CO 0.55 -0.23 0.49 0.11 0.00 0.00 0.00 179.25 180.17 1k73 h TRP 24 N 0.35 0.28 0.00 0.00 5.08 -2.01 -0.38 115.95 119.27 1k73 h TRP 24 Ca 0.27 0.01 -0.04 0.00 1.08 0.00 0.00 58.89 60.21 1k73 h TRP 24 Cb 0.32 -0.09 -0.01 0.00 -3.00 0.00 0.00 29.16 26.39 1k73 h TRP 24 CO -0.18 0.10 -0.18 0.28 -1.28 0.00 0.00 178.44 177.17 1k73 h VAL 25 N 0.23 0.62 -0.15 0.12 2.07 -1.63 -1.33 116.25 116.18 1k73 h VAL 25 Ca 0.35 -0.83 -0.09 0.00 0.82 0.00 0.00 66.70 66.95 1k73 h VAL 25 Cb 1.03 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1k73 h VAL 25 CO -0.07 0.18 -0.26 0.24 0.02 0.00 0.00 177.57 177.68 1k73 h MET 26 N 0.00 0.45 -0.49 1.57 2.86 -1.10 -1.75 114.93 116.46 1k73 h MET 26 Ca -0.00 -0.27 -0.12 0.00 -2.06 0.00 0.00 59.70 57.24 1k73 h MET 26 Cb 0.52 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1k73 h MET 26 CO 0.02 0.87 -0.17 -0.07 1.06 0.00 0.00 176.91 178.62 1k73 h LEU 27 N 0.07 1.00 -1.53 1.22 3.38 -1.44 0.82 115.31 118.83 1k73 h LEU 27 Ca 0.01 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1k73 h LEU 27 Cb 0.84 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1k73 h LEU 27 CO 0.06 1.16 -0.07 0.50 0.09 0.00 0.00 178.44 180.18 1k73 h LYS 28 N 0.84 0.00 -0.08 1.13 3.64 -1.24 -2.87 116.57 118.00 1k73 h LYS 28 Ca 0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1k73 h LYS 28 Cb 0.75 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1k73 h LYS 28 CO 0.06 0.07 0.00 0.25 -2.27 0.00 0.00 179.45 177.56 1k73 n THR 29 N -3.22 0.21 -2.84 1.00 -2.24 -0.66 -4.96 114.28 101.57 1k73 n THR 29 Ca -0.00 -0.60 -0.18 0.00 -2.27 0.00 0.00 64.05 60.99 1k73 n THR 29 Cb 0.31 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 1k73 n THR 29 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1k73 n ASP 30 N 0.56 -4.43 -0.93 3.42 8.00 0.14 -5.04 116.55 118.26 1k73 n ASP 30 Ca 0.07 -0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.47 1k73 n ASP 30 Cb 0.29 -3.69 0.00 0.00 -0.02 0.00 0.00 41.12 37.71 1k73 n ASP 30 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1k73 n GLU 31 N -3.35 -2.68 0.00 -1.24 1.02 -0.34 -5.03 120.64 109.02 1k73 n GLU 31 Ca -0.11 2.00 0.00 0.00 -0.02 0.00 0.00 57.16 59.03 1k73 n GLU 31 Cb 0.60 -2.25 0.00 0.00 -0.02 0.00 0.00 31.44 29.77 1k73 n GLU 31 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1k73 n ARG 35 N -0.90 0.00 -3.67 3.49 1.74 -1.26 -5.05 116.66 111.01 1k73 n ARG 35 Ca 0.00 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.69 1k73 n ARG 35 Cb 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.34 1k73 n ARG 35 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1k73 s ASN 36 N 0.00 5.47 0.00 0.55 3.84 -1.26 -4.93 114.94 118.61 1k73 s ASN 36 Ca 0.00 -1.83 0.22 0.00 0.21 0.00 0.00 52.86 51.46 1k73 s ASN 36 Cb 0.00 -1.92 1.15 0.00 -0.55 0.00 0.00 41.25 39.93 1k73 s ASN 36 CO 0.00 -0.58 1.69 1.41 -2.79 0.00 0.00 177.10 176.83 1k73 n HIS 37 N 4.77 0.00 -1.01 0.43 8.25 -1.26 -3.09 115.22 123.31 1k73 n HIS 37 Ca -0.06 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.45 1k73 n HIS 37 Cb 0.42 -0.21 0.30 0.00 1.12 0.00 0.00 29.99 31.62 1k73 n HIS 37 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1k73 n LYS 38 N -1.21 3.51 -1.98 -0.41 5.02 -1.26 -4.99 118.16 116.85 1k73 n LYS 38 Ca 0.12 -3.00 -0.42 0.00 -2.02 0.00 0.00 58.31 52.99 1k73 n LYS 38 Cb 0.14 -2.02 -0.03 0.00 -0.02 0.00 0.00 35.03 33.11 1k73 n LYS 38 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1k73 s ARG 39 N -2.87 4.23 -0.14 1.97 0.52 -1.18 -4.78 118.95 116.70 1k73 s ARG 39 Ca 0.48 2.31 -0.01 0.00 -0.52 0.00 0.00 55.73 57.98 1k73 s ARG 39 Cb 0.38 -3.17 0.04 0.00 0.52 0.00 0.00 34.95 32.73 1k73 s ARG 39 CO 0.11 -0.57 -0.01 0.50 0.02 0.00 0.00 175.30 175.35 1k73 s ARG 40 N 1.07 0.93 0.19 3.54 3.52 -1.26 -5.08 118.95 121.86 1k73 s ARG 40 Ca 0.69 -0.26 -0.19 0.00 -0.13 0.00 0.00 55.73 55.84 1k73 s ARG 40 Cb -0.42 -1.66 -0.08 0.00 -1.56 0.00 0.00 34.95 31.23 1k73 s ARG 40 CO 0.32 -0.44 0.69 -1.58 -0.81 0.00 0.00 175.30 173.47 1k73 s HIS 41 N 1.82 3.67 0.33 5.12 5.65 -1.26 -4.96 115.29 125.66 1k73 s HIS 41 Ca 0.02 1.35 0.02 0.00 0.25 0.00 0.00 55.06 56.69 1k73 s HIS 41 Cb -0.15 -2.58 0.56 0.00 -1.18 0.00 0.00 32.58 29.23 1k73 s HIS 41 CO -0.07 0.39 1.92 0.11 -0.65 0.00 0.00 174.74 176.43 1k73 h TRP 42 N 3.60 0.75 0.00 3.88 5.08 -2.01 -1.27 115.95 125.98 1k73 h TRP 42 Ca -0.48 -0.03 -0.10 0.00 1.08 0.00 0.00 58.89 59.36 1k73 h TRP 42 Cb 1.20 -0.24 -0.01 0.00 -3.00 0.00 0.00 29.16 27.11 1k73 h TRP 42 CO 0.64 0.58 -0.55 -0.09 -1.28 0.00 0.00 178.44 177.74 1k73 h ARG 43 N 0.75 0.00 -0.01 0.12 2.43 -2.04 -3.39 114.38 112.25 1k73 h ARG 43 Ca 0.18 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.23 1k73 h ARG 43 Cb 0.13 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1k73 h ARG 43 CO -0.02 0.87 -0.57 0.00 -1.51 0.00 0.00 179.97 178.74 1k73 h ARG 44 N -1.00 0.02 -6.17 0.20 2.47 -1.98 -3.45 114.38 104.46 1k73 h ARG 44 Ca -0.14 -0.01 -0.52 0.00 -1.26 0.00 0.00 59.98 58.05 1k73 h ARG 44 Cb 1.03 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.32 1k73 h ARG 44 CO -0.09 0.59 -0.32 -0.80 0.56 0.00 0.00 179.97 179.92 1k73 s ASN 45 N -6.87 4.95 -0.03 7.04 0.01 -0.48 -4.98 114.94 114.58 1k73 s ASN 45 Ca -0.02 -0.89 0.01 0.00 -0.71 0.00 0.00 52.86 51.25 1k73 s ASN 45 Cb 0.13 -0.18 0.02 0.00 0.41 0.00 0.00 41.25 41.62 1k73 s ASN 45 CO 0.76 -0.87 -0.04 -0.62 -1.51 0.00 0.00 177.10 174.81 1k73 s ASP 46 N -4.25 0.80 0.86 -1.22 -1.08 -1.26 -4.74 116.67 105.78 1k73 s ASP 46 Ca 0.46 -0.11 -0.08 0.00 -0.52 0.00 0.00 52.55 52.30 1k73 s ASP 46 Cb -0.03 -0.31 0.18 0.00 -1.46 0.00 0.00 42.92 41.30 1k73 s ASP 46 CO 0.28 -0.02 1.18 0.42 0.52 0.00 0.00 175.17 177.55 1k73 s THR 47 N 0.61 2.01 0.73 1.71 -4.23 -1.26 -5.10 115.64 110.11 1k73 s THR 47 Ca -0.08 -0.33 -0.02 0.00 -1.18 0.00 0.00 61.69 60.09 1k73 s THR 47 Cb -0.11 -2.68 0.15 0.00 1.34 0.00 0.00 72.50 71.20 1k73 s THR 47 CO -0.00 0.00 1.00 0.47 -0.54 0.00 0.00 174.62 175.55 1k73 n ASP 48 N -3.35 1.18 0.00 3.99 10.43 -1.26 -5.28 116.55 122.25 1k73 n ASP 48 Ca 0.17 -2.03 0.00 0.00 2.57 0.00 0.00 54.79 55.50 1k73 n ASP 48 Cb 0.60 -0.67 0.00 0.00 1.84 0.00 0.00 41.12 42.89 1k73 n ASP 48 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51