#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q82 s LYS 2 N 0.00 3.14 0.10 1.61 -0.14 -1.26 -5.09 119.74 118.11 1q82 s LYS 2 Ca 0.00 -0.83 -0.08 0.00 -1.36 0.00 0.00 55.97 53.70 1q82 s LYS 2 Cb 0.00 -3.41 -0.06 0.00 -1.68 0.00 0.00 37.83 32.68 1q82 s LYS 2 CO 0.00 -0.44 0.39 -1.59 -0.76 0.00 0.00 175.35 172.95 1q82 s LYS 3 N 1.52 3.71 0.69 1.68 -2.85 -1.26 -5.10 119.74 118.12 1q82 s LYS 3 Ca 0.03 0.08 -0.02 0.00 -1.00 0.00 0.00 55.97 55.06 1q82 s LYS 3 Cb -0.17 -2.93 0.09 0.00 -2.06 0.00 0.00 37.83 32.76 1q82 s LYS 3 CO 0.03 0.52 0.96 -1.54 0.10 0.00 0.00 175.35 175.42 1q82 s SER 4 N -2.00 4.62 0.17 0.03 1.04 -1.26 -4.90 113.70 111.39 1q82 s SER 4 Ca 0.36 -0.07 -0.11 0.00 0.48 0.00 0.00 55.95 56.61 1q82 s SER 4 Cb -0.13 -0.48 0.06 0.00 0.10 0.00 0.00 66.02 65.57 1q82 s SER 4 CO 0.20 -1.67 1.69 0.50 0.98 0.00 0.00 173.24 174.94 1q82 h LYS 5 N -0.44 0.92 0.89 4.02 3.64 -1.99 -0.72 116.57 122.89 1q82 h LYS 5 Ca -0.40 -0.21 -0.04 0.00 -1.27 0.00 0.00 60.65 58.72 1q82 h LYS 5 Cb 1.28 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1q82 h LYS 5 CO 0.47 0.84 -0.43 0.00 -2.27 0.00 0.00 179.45 178.06 1q82 h ALA 6 N 1.04 -1.20 -0.86 5.00 0.00 -1.99 -1.47 119.26 119.78 1q82 h ALA 6 Ca 0.19 -0.26 0.22 0.00 0.00 0.00 0.00 54.91 55.05 1q82 h ALA 6 Cb 0.32 0.46 -0.13 0.00 0.00 0.00 0.00 17.79 18.44 1q82 h ALA 6 CO -0.00 -1.17 0.26 1.15 0.00 0.00 0.00 179.25 179.48 1q82 h THR 7 N -1.20 0.38 -0.55 0.00 2.02 -1.93 0.46 112.91 112.09 1q82 h THR 7 Ca -0.12 -0.09 -0.05 0.00 0.77 0.00 0.00 66.41 66.92 1q82 h THR 7 Cb 0.92 0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 1q82 h THR 7 CO 0.20 0.05 0.14 0.50 0.37 0.00 0.00 175.52 176.78 1q82 h LYS 8 N 0.26 0.84 -0.19 6.66 3.64 -0.81 -0.91 116.57 126.05 1q82 h LYS 8 Ca 0.53 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.74 1q82 h LYS 8 Cb 1.04 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.72 1q82 h LYS 8 CO -0.60 0.74 0.08 0.87 -2.27 0.00 0.00 179.45 178.27 1q82 h LYS 9 N 0.81 0.29 -0.44 1.90 1.57 0.93 -1.58 116.57 120.04 1q82 h LYS 9 Ca 0.18 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1q82 h LYS 9 Cb 0.28 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 1q82 h LYS 9 CO -0.00 0.34 0.27 0.00 -0.57 0.00 0.00 179.45 179.49 1q82 h ARG 10 N 0.17 0.52 -0.81 3.15 3.08 -0.76 -0.81 114.38 118.92 1q82 h ARG 10 Ca 0.06 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 1q82 h ARG 10 Cb 0.16 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 1q82 h ARG 10 CO -0.01 0.35 0.44 -0.07 -1.07 0.00 0.00 179.97 179.61 1q82 h LEU 11 N 0.54 1.01 -0.01 3.04 3.38 -1.08 -1.43 115.31 120.76 1q82 h LEU 11 Ca 0.17 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1q82 h LEU 11 Cb -0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1q82 h LEU 11 CO -0.07 0.82 -0.02 0.00 0.09 0.00 0.00 178.44 179.26 1q82 h ALA 12 N 1.35 -0.01 -0.56 1.53 0.00 -0.53 -0.61 119.26 120.44 1q82 h ALA 12 Ca 0.29 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.26 1q82 h ALA 12 Cb 0.03 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1q82 h ALA 12 CO -0.05 -0.51 0.28 -0.22 0.00 0.00 0.00 179.25 178.75 1q82 h LYS 13 N -0.03 0.51 -0.97 0.00 3.64 -0.78 -0.65 116.57 118.29 1q82 h LYS 13 Ca 0.01 -0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.45 1q82 h LYS 13 Cb 0.05 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 31.68 1q82 h LYS 13 CO -0.03 0.34 0.62 -0.07 -2.27 0.00 0.00 179.45 178.04 1q82 h LEU 14 N 0.53 0.94 -0.47 5.20 3.38 -0.86 0.83 115.31 124.86 1q82 h LEU 14 Ca 0.25 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.17 1q82 h LEU 14 Cb 0.18 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1q82 h LEU 14 CO -0.19 0.57 0.00 -0.78 0.09 0.00 0.00 178.44 178.13 1q82 h ASP 15 N 1.05 0.81 -0.62 -0.43 3.58 0.33 -2.87 116.42 118.27 1q82 h ASP 15 Ca 0.44 -0.31 -0.09 0.00 0.42 0.00 0.00 57.03 57.49 1q82 h ASP 15 Cb 0.31 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 1q82 h ASP 15 CO -0.19 0.92 0.03 -1.13 -2.88 0.00 0.00 179.24 175.99 1q82 h ASN 16 N 0.68 1.04 0.28 2.28 -0.00 -0.05 -1.46 115.58 118.36 1q82 h ASN 16 Ca 0.13 -0.29 0.00 0.00 -0.00 0.00 0.00 56.30 56.14 1q82 h ASN 16 Cb 0.50 -0.28 0.00 0.00 -0.00 0.00 0.00 38.32 38.54 1q82 h ASN 16 CO 0.02 1.08 0.00 0.00 -0.00 0.00 0.00 177.43 178.53 1q82 n GLN 17 N -4.21 0.12 -0.13 6.67 6.02 0.15 -2.23 117.38 123.77 1q82 n GLN 17 Ca 0.03 0.50 0.02 0.00 -0.01 0.00 0.00 57.00 57.55 1q82 n GLN 17 Cb 0.33 -1.80 0.08 0.00 1.02 0.00 0.00 30.24 29.87 1q82 n GLN 17 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1q82 n ASN 18 N -2.04 1.31 -4.74 1.08 4.05 -0.55 -4.80 115.26 109.57 1q82 n ASN 18 Ca 0.00 -2.08 -0.24 0.00 0.45 0.00 0.00 54.58 52.72 1q82 n ASN 18 Cb 0.10 -0.27 0.09 0.00 1.23 0.00 0.00 39.78 40.94 1q82 n ASN 18 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1q82 s SER 19 N -0.70 4.54 0.21 1.20 1.04 -0.95 -4.89 113.70 114.16 1q82 s SER 19 Ca 0.11 -0.13 0.02 0.00 0.48 0.00 0.00 55.95 56.44 1q82 s SER 19 Cb 0.07 -0.38 -0.04 0.00 0.10 0.00 0.00 66.02 65.77 1q82 s SER 19 CO 0.06 -1.72 0.37 -0.60 0.98 0.00 0.00 173.24 172.33 1q82 s ARG 20 N -5.12 3.47 -0.02 4.02 3.52 -1.26 -4.97 118.95 118.59 1q82 s ARG 20 Ca 0.64 -0.52 -0.30 0.00 -0.13 0.00 0.00 55.73 55.42 1q82 s ARG 20 Cb -0.07 -2.87 -0.08 0.00 -1.56 0.00 0.00 34.95 30.37 1q82 s ARG 20 CO 0.44 0.42 1.95 0.08 -0.81 0.00 0.00 175.30 177.37 1q82 s VAL 21 N -1.91 3.12 0.35 7.11 1.01 -1.26 -4.89 120.40 123.93 1q82 s VAL 21 Ca 0.36 0.14 -0.27 0.00 0.00 0.00 0.00 61.98 62.21 1q82 s VAL 21 Cb -0.10 -3.10 -0.12 0.00 0.00 0.00 0.00 36.38 33.06 1q82 s VAL 21 CO 0.30 -0.02 1.14 -0.81 0.00 0.00 0.00 175.10 175.71 1q82 n PRO 22 N 7.68 1.71 -0.29 2.72 -0.04 -1.26 -4.88 135.00 140.64 1q82 n PRO 22 Ca 0.21 0.60 0.12 0.00 -0.04 0.00 0.00 63.50 64.39 1q82 n PRO 22 Cb 0.42 -2.13 0.27 0.00 -0.04 0.00 0.00 33.50 32.03 1q82 n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1q82 h ALA 23 N 2.11 1.27 -0.01 0.55 0.00 -2.02 -0.93 119.26 120.24 1q82 h ALA 23 Ca -0.44 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1q82 h ALA 23 Cb 1.31 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 1q82 h ALA 23 CO 0.60 -0.39 -0.01 0.11 0.00 0.00 0.00 179.25 179.56 1q82 h TRP 24 N 0.30 0.01 -0.06 0.00 5.08 -2.01 -0.71 115.95 118.55 1q82 h TRP 24 Ca 0.53 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 60.42 1q82 h TRP 24 Cb 1.01 -0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.15 1q82 h TRP 24 CO -0.21 0.02 -0.33 0.28 -1.28 0.00 0.00 178.44 176.92 1q82 h VAL 25 N 0.01 1.26 -0.15 0.12 2.07 -1.51 -0.41 116.25 117.64 1q82 h VAL 25 Ca 0.00 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.27 1q82 h VAL 25 Cb 0.03 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1q82 h VAL 25 CO 0.00 0.37 0.10 0.24 0.02 0.00 0.00 177.57 178.30 1q82 h MET 26 N 0.11 0.20 -0.38 1.57 2.86 -1.15 -0.55 114.93 117.59 1q82 h MET 26 Ca 0.01 -0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.51 1q82 h MET 26 Cb 0.65 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 1q82 h MET 26 CO 0.05 0.14 -0.28 -0.07 1.06 0.00 0.00 176.91 177.81 1q82 h LEU 27 N 0.19 0.82 -1.08 1.22 3.38 -1.36 -0.11 115.31 118.37 1q82 h LEU 27 Ca 0.05 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1q82 h LEU 27 Cb -0.01 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1q82 h LEU 27 CO -0.01 1.05 -0.14 0.50 0.09 0.00 0.00 178.44 179.93 1q82 h LYS 28 N 0.68 0.00 -0.09 1.13 3.64 -0.91 -3.04 116.57 117.99 1q82 h LYS 28 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1q82 h LYS 28 Cb 0.81 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1q82 h LYS 28 CO 0.07 0.14 0.00 0.25 -2.27 0.00 0.00 179.45 177.64 1q82 n THR 29 N -3.26 0.17 -2.57 1.00 -2.24 -0.23 -4.95 114.28 102.20 1q82 n THR 29 Ca 0.01 -0.59 -0.16 0.00 -2.27 0.00 0.00 64.05 61.04 1q82 n THR 29 Cb 0.41 1.15 -0.00 0.00 -2.10 0.00 0.00 70.33 69.78 1q82 n THR 29 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1q82 n ASP 30 N 0.76 -4.36 -1.02 3.42 8.00 -0.18 -5.05 116.55 118.13 1q82 n ASP 30 Ca 0.09 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.66 1q82 n ASP 30 Cb 0.36 -3.66 0.00 0.00 -0.02 0.00 0.00 41.12 37.80 1q82 n ASP 30 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1q82 n GLU 31 N -3.02 -2.94 0.00 -1.24 1.02 -0.48 -5.03 120.64 108.95 1q82 n GLU 31 Ca -0.15 2.19 0.00 0.00 -0.02 0.00 0.00 57.16 59.18 1q82 n GLU 31 Cb 0.62 -2.47 0.00 0.00 -0.02 0.00 0.00 31.44 29.57 1q82 n GLU 31 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1q82 n ARG 35 N -0.92 0.00 -3.71 3.49 1.74 -1.26 -5.06 116.66 110.93 1q82 n ARG 35 Ca 0.00 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.70 1q82 n ARG 35 Cb 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.33 1q82 n ARG 35 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1q82 s ASN 36 N 0.00 5.38 0.00 0.55 3.84 -1.26 -4.93 114.94 118.52 1q82 s ASN 36 Ca 0.00 -1.71 0.22 0.00 0.21 0.00 0.00 52.86 51.58 1q82 s ASN 36 Cb 0.00 -1.89 1.32 0.00 -0.55 0.00 0.00 41.25 40.13 1q82 s ASN 36 CO 0.00 -0.51 1.74 1.41 -2.79 0.00 0.00 177.10 176.95 1q82 n HIS 37 N 4.75 0.00 -1.18 0.43 8.25 -1.26 -3.29 115.22 122.91 1q82 n HIS 37 Ca -0.07 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.43 1q82 n HIS 37 Cb 0.42 0.00 0.22 0.00 1.12 0.00 0.00 29.99 31.75 1q82 n HIS 37 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1q82 n LYS 38 N -0.92 2.24 -2.10 -0.41 5.02 -1.26 -5.01 118.16 115.72 1q82 n LYS 38 Ca 0.17 -2.93 -0.42 0.00 -2.02 0.00 0.00 58.31 53.10 1q82 n LYS 38 Cb 0.08 -1.77 -0.03 0.00 -0.02 0.00 0.00 35.03 33.29 1q82 n LYS 38 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1q82 s ARG 39 N -2.99 4.25 -0.14 1.97 0.52 -1.21 -4.78 118.95 116.57 1q82 s ARG 39 Ca 0.41 2.13 -0.00 0.00 -0.52 0.00 0.00 55.73 57.74 1q82 s ARG 39 Cb 0.35 -3.53 0.03 0.00 0.52 0.00 0.00 34.95 32.33 1q82 s ARG 39 CO 0.04 -0.62 -0.07 0.50 0.02 0.00 0.00 175.30 175.18 1q82 s ARG 40 N 2.28 1.50 0.13 3.54 3.52 -1.26 -5.07 118.95 123.58 1q82 s ARG 40 Ca 0.68 -0.40 -0.20 0.00 -0.13 0.00 0.00 55.73 55.68 1q82 s ARG 40 Cb -0.36 -1.83 -0.07 0.00 -1.56 0.00 0.00 34.95 31.14 1q82 s ARG 40 CO 0.29 -0.35 0.63 -1.58 -0.81 0.00 0.00 175.30 173.48 1q82 s HIS 41 N 1.66 3.77 0.36 5.12 5.65 -1.26 -4.96 115.29 125.63 1q82 s HIS 41 Ca 0.03 1.33 0.03 0.00 0.25 0.00 0.00 55.06 56.70 1q82 s HIS 41 Cb -0.14 -2.55 0.66 0.00 -1.18 0.00 0.00 32.58 29.37 1q82 s HIS 41 CO -0.08 0.51 2.01 0.11 -0.65 0.00 0.00 174.74 176.63 1q82 h TRP 42 N 4.14 0.74 0.00 3.88 5.08 -2.00 0.14 115.95 127.93 1q82 h TRP 42 Ca -0.49 0.01 -0.14 0.00 1.08 0.00 0.00 58.89 59.35 1q82 h TRP 42 Cb 1.21 -0.25 -0.02 0.00 -3.00 0.00 0.00 29.16 27.10 1q82 h TRP 42 CO 0.66 0.48 -0.86 -0.09 -1.28 0.00 0.00 178.44 177.35 1q82 h ARG 43 N 0.79 0.00 0.00 0.12 2.43 -2.05 -3.39 114.38 112.29 1q82 h ARG 43 Ca 0.21 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.29 1q82 h ARG 43 Cb -0.06 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1q82 h ARG 43 CO -0.04 0.80 -0.42 0.00 -1.51 0.00 0.00 179.97 178.80 1q82 h ARG 44 N -1.00 0.00 -6.03 0.20 2.47 -1.98 -3.45 114.38 104.59 1q82 h ARG 44 Ca -0.22 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 57.97 1q82 h ARG 44 Cb 1.07 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.33 1q82 h ARG 44 CO -0.13 0.42 -0.43 -0.80 0.56 0.00 0.00 179.97 179.59 1q82 s ASN 45 N -6.71 4.74 -0.04 7.04 0.01 0.48 -4.96 114.94 115.49 1q82 s ASN 45 Ca -0.02 -0.93 0.01 0.00 -0.71 0.00 0.00 52.86 51.21 1q82 s ASN 45 Cb 0.13 -0.46 0.02 0.00 0.41 0.00 0.00 41.25 41.35 1q82 s ASN 45 CO 0.71 -0.64 -0.03 -0.62 -1.51 0.00 0.00 177.10 175.02 1q82 s ASP 46 N -4.04 0.86 0.91 -1.22 -1.08 -1.26 -4.68 116.67 106.17 1q82 s ASP 46 Ca 0.44 -0.09 -0.13 0.00 -0.52 0.00 0.00 52.55 52.25 1q82 s ASP 46 Cb 0.00 -0.38 0.18 0.00 -1.46 0.00 0.00 42.92 41.27 1q82 s ASP 46 CO 0.25 -0.08 1.26 0.42 0.52 0.00 0.00 175.17 177.54 1q82 s THR 47 N 1.07 2.02 0.73 1.71 -4.23 -1.26 -5.09 115.64 110.60 1q82 s THR 47 Ca -0.09 -0.10 -0.02 0.00 -1.18 0.00 0.00 61.69 60.30 1q82 s THR 47 Cb -0.14 -2.92 0.13 0.00 1.34 0.00 0.00 72.50 70.91 1q82 s THR 47 CO -0.01 0.00 1.01 -1.81 -0.54 0.00 0.00 174.62 173.27 1q82 s ASP 48 N -4.85 4.29 0.00 3.99 -0.00 -1.26 -5.28 116.67 113.56 1q82 s ASP 48 Ca 0.72 -0.29 0.00 0.00 -0.00 0.00 0.00 52.55 52.98 1q82 s ASP 48 Cb -0.04 -0.08 0.00 0.00 -0.00 0.00 0.00 42.92 42.79 1q82 s ASP 48 CO 0.51 -1.90 0.00 -0.62 -0.00 0.00 0.00 175.17 173.16