#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jj2 s LYS 2 N 0.00 2.47 0.22 1.61 -0.14 -1.26 -5.10 119.74 117.54 1jj2 s LYS 2 Ca 0.00 -1.25 -0.13 0.00 -1.36 0.00 0.00 55.97 53.22 1jj2 s LYS 2 Cb 0.00 -3.25 -0.08 0.00 -1.68 0.00 0.00 37.83 32.82 1jj2 s LYS 2 CO 0.00 -0.64 0.60 -1.59 -0.76 0.00 0.00 175.35 172.97 1jj2 s LYS 3 N 1.29 3.96 0.70 1.68 -2.85 -1.26 -5.08 119.74 118.17 1jj2 s LYS 3 Ca -0.04 0.50 -0.03 0.00 -1.00 0.00 0.00 55.97 55.40 1jj2 s LYS 3 Cb -0.20 -2.74 0.10 0.00 -2.06 0.00 0.00 37.83 32.94 1jj2 s LYS 3 CO -0.00 0.35 0.98 -1.54 0.10 0.00 0.00 175.35 175.24 1jj2 s SER 4 N -2.03 4.54 0.20 0.03 1.04 -1.26 -4.89 113.70 111.33 1jj2 s SER 4 Ca 0.45 -0.07 -0.10 0.00 0.48 0.00 0.00 55.95 56.71 1jj2 s SER 4 Cb -0.13 -0.44 0.14 0.00 0.10 0.00 0.00 66.02 65.69 1jj2 s SER 4 CO 0.20 -1.72 1.80 0.50 0.98 0.00 0.00 173.24 175.00 1jj2 h LYS 5 N -0.50 1.06 -0.34 4.02 3.64 -1.99 -0.89 116.57 121.58 1jj2 h LYS 5 Ca -0.40 -0.14 -0.09 0.00 -1.27 0.00 0.00 60.65 58.75 1jj2 h LYS 5 Cb 1.28 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1jj2 h LYS 5 CO 0.47 0.81 -0.15 0.00 -2.27 0.00 0.00 179.45 178.31 1jj2 h ALA 6 N 1.19 0.47 -0.74 5.00 0.00 -1.99 -1.76 119.26 121.43 1jj2 h ALA 6 Ca 0.26 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1jj2 h ALA 6 Cb 0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1jj2 h ALA 6 CO -0.04 0.37 0.43 1.15 0.00 0.00 0.00 179.25 181.17 1jj2 h THR 7 N 0.47 1.21 -0.97 0.00 2.02 -1.90 -1.27 112.91 112.48 1jj2 h THR 7 Ca 0.08 -0.49 0.02 0.00 0.77 0.00 0.00 66.41 66.79 1jj2 h THR 7 Cb 0.68 0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 67.24 1jj2 h THR 7 CO 0.05 0.23 0.64 0.50 0.37 0.00 0.00 175.52 177.30 1jj2 h LYS 8 N 1.01 1.23 -0.25 6.66 3.64 -1.01 -0.46 116.57 127.40 1jj2 h LYS 8 Ca 0.26 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1jj2 h LYS 8 Cb -0.02 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 31.52 1jj2 h LYS 8 CO -0.05 0.81 0.10 0.87 -2.27 0.00 0.00 179.45 178.91 1jj2 h LYS 9 N 1.27 0.38 -0.65 1.90 1.57 -0.39 -1.08 116.57 119.57 1jj2 h LYS 9 Ca 0.37 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1jj2 h LYS 9 Cb -0.08 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1jj2 h LYS 9 CO -0.10 0.43 0.42 0.00 -0.57 0.00 0.00 179.45 179.63 1jj2 h ARG 10 N 0.26 0.86 -0.22 3.15 3.08 -0.59 -1.19 114.38 119.72 1jj2 h ARG 10 Ca 0.08 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 1jj2 h ARG 10 Cb 0.19 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1jj2 h ARG 10 CO -0.01 0.58 -0.24 -0.07 -1.07 0.00 0.00 179.97 179.17 1jj2 h LEU 11 N 0.88 0.41 -0.29 3.04 3.38 -0.96 -1.23 115.31 120.53 1jj2 h LEU 11 Ca 0.24 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1jj2 h LEU 11 Cb -0.08 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1jj2 h LEU 11 CO -0.05 0.65 0.18 0.00 0.09 0.00 0.00 178.44 179.31 1jj2 h ALA 12 N 1.38 0.37 -0.53 1.53 0.00 -0.61 -0.93 119.26 120.48 1jj2 h ALA 12 Ca 0.06 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1jj2 h ALA 12 Cb 0.62 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1jj2 h ALA 12 CO 0.04 -0.13 0.34 -0.22 0.00 0.00 0.00 179.25 179.28 1jj2 h LYS 13 N 0.38 0.66 -0.61 0.00 3.64 -0.78 -1.09 116.57 118.75 1jj2 h LYS 13 Ca 0.10 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1jj2 h LYS 13 Cb 0.00 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 1jj2 h LYS 13 CO -0.02 0.43 0.40 -0.07 -2.27 0.00 0.00 179.45 177.92 1jj2 h LEU 14 N 0.68 0.71 -0.46 5.20 3.38 -0.89 0.19 115.31 124.11 1jj2 h LEU 14 Ca 0.20 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 1jj2 h LEU 14 Cb -0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1jj2 h LEU 14 CO -0.07 0.52 -0.21 -0.78 0.09 0.00 0.00 178.44 178.00 1jj2 h ASP 15 N 0.83 0.98 -0.55 -0.43 3.58 -0.50 -2.68 116.42 117.65 1jj2 h ASP 15 Ca 0.22 -0.40 -0.11 0.00 0.42 0.00 0.00 57.03 57.17 1jj2 h ASP 15 Cb -0.08 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.68 1jj2 h ASP 15 CO -0.05 1.16 -0.07 -1.13 -2.88 0.00 0.00 179.24 176.28 1jj2 h ASN 16 N 0.80 1.02 0.45 2.28 -0.00 -0.19 -2.08 115.58 117.85 1jj2 h ASN 16 Ca 0.11 -0.34 0.00 0.00 -0.00 0.00 0.00 56.30 56.07 1jj2 h ASN 16 Cb 0.78 -0.28 0.00 0.00 -0.00 0.00 0.00 38.32 38.82 1jj2 h ASN 16 CO 0.06 1.11 0.00 0.00 -0.00 0.00 0.00 177.43 178.61 1jj2 n GLN 17 N -4.18 0.12 -0.12 6.67 6.02 0.56 -2.49 117.38 123.96 1jj2 n GLN 17 Ca 0.02 0.44 0.02 0.00 -0.01 0.00 0.00 57.00 57.47 1jj2 n GLN 17 Cb 0.38 -1.78 0.08 0.00 1.02 0.00 0.00 30.24 29.94 1jj2 n GLN 17 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1jj2 n ASN 18 N -2.02 1.28 -4.82 1.08 4.05 -0.78 -4.80 115.26 109.24 1jj2 n ASN 18 Ca 0.01 -2.07 -0.24 0.00 0.45 0.00 0.00 54.58 52.73 1jj2 n ASN 18 Cb 0.15 -0.26 0.08 0.00 1.23 0.00 0.00 39.78 40.97 1jj2 n ASN 18 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1jj2 s SER 19 N -0.70 4.71 0.40 1.20 1.04 -1.04 -4.89 113.70 114.42 1jj2 s SER 19 Ca 0.11 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.66 1jj2 s SER 19 Cb 0.07 -0.73 -0.02 0.00 0.10 0.00 0.00 66.02 65.44 1jj2 s SER 19 CO 0.06 -1.62 0.61 -0.60 0.98 0.00 0.00 173.24 172.68 1jj2 s ARG 20 N -5.13 3.33 -0.08 4.02 3.52 -1.26 -4.98 118.95 118.36 1jj2 s ARG 20 Ca 0.62 -0.35 -0.30 0.00 -0.13 0.00 0.00 55.73 55.57 1jj2 s ARG 20 Cb -0.09 -2.60 -0.05 0.00 -1.56 0.00 0.00 34.95 30.65 1jj2 s ARG 20 CO 0.43 -0.04 1.67 0.08 -0.81 0.00 0.00 175.30 176.64 1jj2 s VAL 21 N -2.44 3.56 0.43 7.11 1.01 -1.26 -4.91 120.40 123.90 1jj2 s VAL 21 Ca 0.44 0.67 -0.24 0.00 0.00 0.00 0.00 61.98 62.86 1jj2 s VAL 21 Cb -0.10 -3.46 -0.10 0.00 0.00 0.00 0.00 36.38 32.72 1jj2 s VAL 21 CO 0.37 -0.09 0.96 -0.81 0.00 0.00 0.00 175.10 175.53 1jj2 n PRO 22 N 7.26 1.23 -0.22 2.72 -0.04 -1.26 -4.88 135.00 139.82 1jj2 n PRO 22 Ca 0.18 0.45 0.02 0.00 -0.04 0.00 0.00 63.50 64.10 1jj2 n PRO 22 Cb 0.43 -1.99 0.13 0.00 -0.04 0.00 0.00 33.50 32.03 1jj2 n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jj2 h ALA 23 N 1.40 0.88 -0.31 0.55 0.00 -2.02 -1.18 119.26 118.57 1jj2 h ALA 23 Ca -0.44 0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.63 1jj2 h ALA 23 Cb 1.35 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1jj2 h ALA 23 CO 0.56 -0.19 0.22 0.11 0.00 0.00 0.00 179.25 179.95 1jj2 h TRP 24 N 0.43 0.10 0.00 0.00 5.08 -2.01 0.53 115.95 120.09 1jj2 h TRP 24 Ca 0.34 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 60.27 1jj2 h TRP 24 Cb 0.45 -0.03 -0.01 0.00 -3.00 0.00 0.00 29.16 26.57 1jj2 h TRP 24 CO -0.17 0.05 -0.20 0.28 -1.28 0.00 0.00 178.44 177.12 1jj2 h VAL 25 N 0.10 0.59 -0.16 0.12 2.07 -1.55 -0.96 116.25 116.46 1jj2 h VAL 25 Ca 0.14 -0.95 -0.09 0.00 0.82 0.00 0.00 66.70 66.62 1jj2 h VAL 25 Cb 0.44 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1jj2 h VAL 25 CO -0.02 0.20 -0.26 0.24 0.02 0.00 0.00 177.57 177.75 1jj2 h MET 26 N 0.00 0.46 -0.53 1.57 2.86 -0.90 -2.08 114.93 116.31 1jj2 h MET 26 Ca -0.00 -0.28 -0.12 0.00 -2.06 0.00 0.00 59.70 57.24 1jj2 h MET 26 Cb 0.61 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 1jj2 h MET 26 CO 0.03 0.88 -0.13 -0.07 1.06 0.00 0.00 176.91 178.67 1jj2 h LEU 27 N 0.09 1.03 -1.37 1.22 3.38 -1.40 0.92 115.31 119.19 1jj2 h LEU 27 Ca 0.01 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 1jj2 h LEU 27 Cb 0.84 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1jj2 h LEU 27 CO 0.06 1.15 -0.16 0.50 0.09 0.00 0.00 178.44 180.09 1jj2 h LYS 28 N 0.91 0.00 -0.08 1.13 3.64 -1.18 -2.99 116.57 117.99 1jj2 h LYS 28 Ca 0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1jj2 h LYS 28 Cb 0.70 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1jj2 h LYS 28 CO 0.05 0.16 0.00 0.25 -2.27 0.00 0.00 179.45 177.64 1jj2 n THR 29 N -3.37 0.18 -2.83 1.00 -2.24 -0.78 -4.97 114.28 101.26 1jj2 n THR 29 Ca -0.00 -0.59 -0.18 0.00 -2.27 0.00 0.00 64.05 61.01 1jj2 n THR 29 Cb 0.36 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 1jj2 n THR 29 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1jj2 n ASP 30 N 0.69 -4.44 -0.81 3.42 8.00 0.19 -5.04 116.55 118.55 1jj2 n ASP 30 Ca 0.08 -0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1jj2 n ASP 30 Cb 0.33 -3.69 0.00 0.00 -0.02 0.00 0.00 41.12 37.74 1jj2 n ASP 30 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jj2 n GLU 31 N -3.34 -2.33 0.00 -1.24 1.02 -0.45 -5.03 120.64 109.26 1jj2 n GLU 31 Ca -0.11 1.74 0.00 0.00 -0.02 0.00 0.00 57.16 58.77 1jj2 n GLU 31 Cb 0.60 -1.95 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 1jj2 n GLU 31 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1jj2 n ARG 35 N -0.89 0.00 -3.72 3.49 1.74 -1.26 -5.04 116.66 110.98 1jj2 n ARG 35 Ca 0.00 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.70 1jj2 n ARG 35 Cb 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.33 1jj2 n ARG 35 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1jj2 s ASN 36 N 0.00 5.37 0.00 0.55 3.84 -1.26 -4.92 114.94 118.52 1jj2 s ASN 36 Ca 0.00 -1.83 0.22 0.00 0.21 0.00 0.00 52.86 51.46 1jj2 s ASN 36 Cb 0.00 -1.88 1.17 0.00 -0.55 0.00 0.00 41.25 39.99 1jj2 s ASN 36 CO 0.00 -0.54 1.72 1.41 -2.79 0.00 0.00 177.10 176.90 1jj2 n HIS 37 N 4.71 0.00 -0.98 0.43 8.25 -1.26 -2.99 115.22 123.39 1jj2 n HIS 37 Ca -0.06 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.46 1jj2 n HIS 37 Cb 0.42 -0.23 0.33 0.00 1.12 0.00 0.00 29.99 31.63 1jj2 n HIS 37 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1jj2 n LYS 38 N -1.23 3.90 -1.91 -0.41 5.02 -1.26 -4.98 118.16 117.28 1jj2 n LYS 38 Ca 0.12 -3.03 -0.42 0.00 -2.02 0.00 0.00 58.31 52.95 1jj2 n LYS 38 Cb 0.16 -2.08 -0.03 0.00 -0.02 0.00 0.00 35.03 33.06 1jj2 n LYS 38 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1jj2 s ARG 39 N -2.84 4.21 -0.14 1.97 0.52 -1.16 -4.79 118.95 116.72 1jj2 s ARG 39 Ca 0.50 2.40 -0.02 0.00 -0.52 0.00 0.00 55.73 58.08 1jj2 s ARG 39 Cb 0.39 -3.13 0.04 0.00 0.52 0.00 0.00 34.95 32.77 1jj2 s ARG 39 CO 0.12 -0.59 0.00 0.50 0.02 0.00 0.00 175.30 175.35 1jj2 s ARG 40 N 0.77 0.80 0.22 3.54 3.52 -1.26 -5.08 118.95 121.45 1jj2 s ARG 40 Ca 0.68 -0.21 -0.21 0.00 -0.13 0.00 0.00 55.73 55.86 1jj2 s ARG 40 Cb -0.44 -1.61 -0.08 0.00 -1.56 0.00 0.00 34.95 31.25 1jj2 s ARG 40 CO 0.35 -0.45 0.75 -1.58 -0.81 0.00 0.00 175.30 173.55 1jj2 s HIS 41 N 1.86 3.69 0.39 5.12 5.65 -1.26 -4.97 115.29 125.78 1jj2 s HIS 41 Ca 0.02 1.45 0.10 0.00 0.25 0.00 0.00 55.06 56.88 1jj2 s HIS 41 Cb -0.15 -2.66 0.81 0.00 -1.18 0.00 0.00 32.58 29.40 1jj2 s HIS 41 CO -0.07 0.35 1.92 0.11 -0.65 0.00 0.00 174.74 176.41 1jj2 h TRP 42 N 3.53 0.21 0.01 3.88 5.08 -2.01 -1.40 115.95 125.26 1jj2 h TRP 42 Ca -0.48 -0.02 -0.21 0.00 1.08 0.00 0.00 58.89 59.26 1jj2 h TRP 42 Cb 1.20 -0.06 -0.03 0.00 -3.00 0.00 0.00 29.16 27.27 1jj2 h TRP 42 CO 0.64 0.35 -1.14 -0.09 -1.28 0.00 0.00 178.44 176.91 1jj2 h ARG 43 N 0.20 0.02 0.00 0.12 2.43 -2.04 -3.39 114.38 111.72 1jj2 h ARG 43 Ca 0.04 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 1jj2 h ARG 43 Cb 0.37 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 1jj2 h ARG 43 CO 0.02 1.02 -0.57 0.00 -1.51 0.00 0.00 179.97 178.93 1jj2 h ARG 44 N -0.92 0.00 -6.06 0.20 2.47 -1.98 -3.46 114.38 104.63 1jj2 h ARG 44 Ca -0.31 0.00 -0.54 0.00 -1.26 0.00 0.00 59.98 57.88 1jj2 h ARG 44 Cb 1.32 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.59 1jj2 h ARG 44 CO -0.16 0.57 -0.37 -0.80 0.56 0.00 0.00 179.97 179.77 1jj2 s ASN 45 N -6.71 4.79 -0.03 7.04 0.01 -0.53 -4.98 114.94 114.53 1jj2 s ASN 45 Ca -0.01 -0.97 0.02 0.00 -0.71 0.00 0.00 52.86 51.19 1jj2 s ASN 45 Cb 0.12 -0.22 0.01 0.00 0.41 0.00 0.00 41.25 41.57 1jj2 s ASN 45 CO 0.74 -0.79 -0.06 -0.62 -1.51 0.00 0.00 177.10 174.86 1jj2 s ASP 46 N -4.15 0.94 0.78 -1.22 -1.08 -1.26 -4.74 116.67 105.95 1jj2 s ASP 46 Ca 0.43 -0.14 -0.04 0.00 -0.52 0.00 0.00 52.55 52.27 1jj2 s ASP 46 Cb -0.02 -0.35 0.15 0.00 -1.46 0.00 0.00 42.92 41.24 1jj2 s ASP 46 CO 0.25 0.00 1.08 0.42 0.52 0.00 0.00 175.17 177.44 1jj2 s THR 47 N 0.53 2.08 0.79 1.71 -4.23 -1.26 -5.10 115.64 110.15 1jj2 s THR 47 Ca -0.07 -0.45 -0.04 0.00 -1.18 0.00 0.00 61.69 59.94 1jj2 s THR 47 Cb -0.11 -2.63 0.15 0.00 1.34 0.00 0.00 72.50 71.25 1jj2 s THR 47 CO 0.00 0.00 1.08 -1.81 -0.54 0.00 0.00 174.62 173.36 1jj2 s ASP 48 N -4.79 3.99 0.00 3.99 -0.00 -1.26 -5.28 116.67 113.32 1jj2 s ASP 48 Ca 0.68 -0.27 0.00 0.00 -0.00 0.00 0.00 52.55 52.96 1jj2 s ASP 48 Cb -0.05 0.01 0.00 0.00 -0.00 0.00 0.00 42.92 42.89 1jj2 s ASP 48 CO 0.47 -2.12 0.00 -0.62 -0.00 0.00 0.00 175.17 172.90