#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1t n LYS 2 N 0.00 0.69 -1.89 2.12 4.81 -1.26 -4.92 118.16 117.71 3i1t n LYS 2 Ca 0.00 0.22 -0.30 0.00 -0.87 0.00 0.00 58.31 57.36 3i1t n LYS 2 Cb 0.00 -2.01 0.05 0.00 0.02 0.00 0.00 35.03 33.09 3i1t n LYS 2 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3i1t s ARG 3 N 5.20 2.86 0.00 1.64 1.81 -1.26 -4.92 118.95 124.28 3i1t s ARG 3 Ca 1.09 0.46 0.14 0.00 -1.72 0.00 0.00 55.73 55.70 3i1t s ARG 3 Cb -1.16 -2.02 0.82 0.00 -0.45 0.00 0.00 34.95 32.14 3i1t s ARG 3 CO 0.61 -1.03 1.24 0.25 -0.68 0.00 0.00 175.30 175.69 3i1t n THR 4 N -3.01 0.00 -3.95 0.02 -2.24 -1.26 -4.36 114.28 99.48 3i1t n THR 4 Ca 0.07 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.54 3i1t n THR 4 Cb 0.57 -0.74 -0.15 0.00 -2.10 0.00 0.00 70.33 67.91 3i1t n THR 4 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3i1t s PHE 5 N -2.00 2.56 -0.41 4.78 5.99 -1.26 -5.07 117.98 122.57 3i1t s PHE 5 Ca 0.21 -1.90 0.02 0.00 0.00 0.00 0.00 56.93 55.26 3i1t s PHE 5 Cb 0.09 -1.70 0.12 0.00 0.00 0.00 0.00 43.02 41.53 3i1t s PHE 5 CO 0.16 -0.80 0.18 -0.65 -0.00 0.00 0.00 175.22 174.11 3i1t s GLN 6 N 1.34 1.38 0.42 10.12 -1.52 -1.26 -5.11 119.66 125.03 3i1t s GLN 6 Ca -0.05 -1.95 -0.24 0.00 -1.95 0.00 0.00 55.36 51.17 3i1t s GLN 6 Cb -0.19 -2.69 -0.11 0.00 -0.22 0.00 0.00 33.01 29.81 3i1t s GLN 6 CO -0.07 -1.07 0.96 -0.35 -0.25 0.00 0.00 175.29 174.51 3i1t n PRO 7 N 3.83 1.25 -3.05 2.91 -0.04 -1.26 -5.02 135.00 133.62 3i1t n PRO 7 Ca 0.05 0.45 0.02 0.00 -0.04 0.00 0.00 63.50 63.98 3i1t n PRO 7 Cb 0.37 -1.98 -0.00 0.00 -0.04 0.00 0.00 33.50 31.84 3i1t n PRO 7 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3i1t s SER 8 N -0.78 -0.99 0.28 3.54 1.04 -1.26 -5.06 113.70 110.46 3i1t s SER 8 Ca 0.64 -0.31 0.01 0.00 0.48 0.00 0.00 55.95 56.76 3i1t s SER 8 Cb -0.56 1.37 0.55 0.00 0.10 0.00 0.00 66.02 67.48 3i1t s SER 8 CO 0.57 -0.13 1.83 1.62 0.98 0.00 0.00 173.24 178.10 3i1t h VAL 9 N 4.57 0.90 -0.65 5.02 3.04 -1.97 0.30 116.25 127.46 3i1t h VAL 9 Ca -0.01 -0.33 0.07 0.00 -1.01 0.00 0.00 66.70 65.42 3i1t h VAL 9 Cb 1.20 -0.14 -0.06 0.00 -2.01 0.00 0.00 31.29 30.28 3i1t h VAL 9 CO 0.02 0.18 0.33 0.25 -1.01 0.00 0.00 177.57 177.34 3i1t h LEU 10 N 0.96 0.45 0.03 3.16 6.46 -1.99 -1.33 115.31 123.05 3i1t h LEU 10 Ca 0.49 0.05 -0.15 0.00 -0.12 0.00 0.00 57.88 58.15 3i1t h LEU 10 Cb 0.50 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.38 3i1t h LEU 10 CO -0.27 0.28 -0.76 0.50 -0.62 0.00 0.00 178.44 177.57 3i1t h LYS 11 N 0.59 0.06 -1.16 1.25 3.64 -1.63 -1.88 116.57 117.44 3i1t h LYS 11 Ca 0.31 -0.11 0.41 0.00 -1.27 0.00 0.00 60.65 59.99 3i1t h LYS 11 Cb 0.26 0.04 -0.15 0.00 -0.41 0.00 0.00 32.23 31.97 3i1t h LYS 11 CO -0.22 1.05 0.70 -0.09 -2.27 0.00 0.00 179.45 178.62 3i1t h ARG 12 N -0.83 0.09 0.07 1.90 2.43 -0.40 -0.84 114.38 116.80 3i1t h ARG 12 Ca -0.19 -0.01 -0.22 0.00 -0.81 0.00 0.00 59.98 58.76 3i1t h ARG 12 Cb 1.29 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 3i1t h ARG 12 CO -0.06 0.06 -1.12 -0.97 -1.51 0.00 0.00 179.97 176.38 3i1t h ASN 13 N 0.09 0.24 0.06 -3.80 -0.73 -1.27 -3.23 115.58 106.94 3i1t h ASN 13 Ca 0.82 -0.81 -0.00 0.00 1.87 0.00 0.00 56.30 58.18 3i1t h ASN 13 Cb 2.32 -0.08 -0.00 0.00 0.27 0.00 0.00 38.32 40.83 3i1t h ASN 13 CO -0.58 1.48 -0.02 -0.09 -0.37 0.00 0.00 177.43 177.85 3i1t h ARG 14 N -0.57 0.00 -0.26 6.67 2.43 -0.30 1.02 114.38 123.36 3i1t h ARG 14 Ca -0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 3i1t h ARG 14 Cb 1.53 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.08 3i1t h ARG 14 CO -0.00 0.02 0.00 0.43 -1.51 0.00 0.00 179.97 178.91 3i1t n SER 15 N -3.80 2.94 0.00 -3.80 7.64 -0.94 -4.59 113.62 111.07 3i1t n SER 15 Ca -0.03 -2.23 0.00 0.00 1.01 0.00 0.00 58.87 57.62 3i1t n SER 15 Cb 0.11 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 3i1t n SER 15 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3i1t n HIS 16 N 0.09 0.00 -1.03 1.43 8.25 -0.72 -5.02 115.22 118.22 3i1t n HIS 16 Ca 0.12 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.29 3i1t n HIS 16 Cb 0.49 0.00 0.17 0.00 1.12 0.00 0.00 29.99 31.78 3i1t n HIS 16 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3i1t s GLY 17 N 0.00 1.59 0.10 -1.41 0.00 0.34 -4.70 107.32 103.24 3i1t s GLY 17 Ca 0.00 -0.11 -0.33 0.00 0.00 0.00 0.00 44.72 44.28 3i1t s GLY 17 CO 0.00 0.45 1.58 -2.75 0.00 0.00 0.00 173.10 172.39 3i1t h PHE 18 N -1.87 -1.23 -1.02 1.90 3.04 -1.87 -0.05 116.94 115.85 3i1t h PHE 18 Ca -0.53 0.02 0.24 0.00 3.98 0.00 0.00 57.97 61.68 3i1t h PHE 18 Cb 1.30 0.49 -0.11 0.00 2.56 0.00 0.00 35.95 40.20 3i1t h PHE 18 CO 0.36 -0.58 0.63 0.00 -2.02 0.00 0.00 178.31 176.70 3i1t h ARG 19 N -0.83 0.51 0.00 1.11 3.08 -1.93 0.83 114.38 117.14 3i1t h ARG 19 Ca -0.03 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 3i1t h ARG 19 Cb 0.76 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 3i1t h ARG 19 CO -0.12 0.34 -0.15 0.00 -1.07 0.00 0.00 179.97 178.97 3i1t h ALA 20 N 1.66 0.91 0.09 0.04 0.00 -1.71 -2.74 119.26 117.52 3i1t h ALA 20 Ca 0.60 -0.10 -0.26 0.00 0.00 0.00 0.00 54.91 55.15 3i1t h ALA 20 Cb 1.29 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.08 3i1t h ALA 20 CO -0.37 0.13 -1.15 -0.09 0.00 0.00 0.00 179.25 177.77 3i1t h ARG 21 N 0.00 0.36 -0.00 0.00 2.43 0.25 -3.23 114.38 114.19 3i1t h ARG 21 Ca -0.00 -0.51 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3i1t h ARG 21 Cb 1.08 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 3i1t h ARG 21 CO 0.01 1.20 -0.19 -0.12 -1.51 0.00 0.00 179.97 179.36 3i1t n MET 22 N -3.64 0.19 -2.25 0.20 1.56 0.28 -1.62 117.12 111.84 3i1t n MET 22 Ca -0.09 -0.06 -0.40 0.00 -0.27 0.00 0.00 57.70 56.88 3i1t n MET 22 Cb 0.96 -1.50 0.01 0.00 2.15 0.00 0.00 33.22 34.84 3i1t n MET 22 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3i1t n ALA 23 N -1.35 6.45 0.00 -5.12 0.00 -1.04 -4.78 120.51 114.67 3i1t n ALA 23 Ca 0.09 -4.27 0.00 0.00 0.00 0.00 0.00 53.44 49.26 3i1t n ALA 23 Cb 0.32 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.34 3i1t n ALA 23 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3i1t n THR 24 N 0.75 0.00 1.61 0.00 5.66 -1.26 -4.97 114.28 116.07 3i1t n THR 24 Ca 0.54 0.00 0.15 0.00 -3.05 0.00 0.00 64.05 61.69 3i1t n THR 24 Cb 0.27 0.00 0.82 0.00 -1.55 0.00 0.00 70.33 69.87 3i1t n THR 24 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 3i1t n LYS 25 N 0.00 0.62 -0.00 1.09 4.81 -1.26 0.11 118.16 123.53 3i1t n LYS 25 Ca 0.00 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.51 3i1t n LYS 25 Cb 0.00 -1.50 -0.09 0.00 0.02 0.00 0.00 35.03 33.46 3i1t n LYS 25 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3i1t n ASN 26 N -1.19 1.00 -0.09 3.14 4.05 -1.26 -4.33 115.26 116.59 3i1t n ASN 26 Ca 0.17 -0.56 -0.18 0.00 0.45 0.00 0.00 54.58 54.46 3i1t n ASN 26 Cb 0.20 1.22 -0.06 0.00 1.23 0.00 0.00 39.78 42.36 3i1t n ASN 26 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3i1t n GLY 27 N 1.45 -0.29 0.40 8.20 0.00 -0.78 -4.35 105.19 109.81 3i1t n GLY 27 Ca 0.01 -0.10 0.20 0.00 0.00 0.00 0.00 46.02 46.13 3i1t n GLY 27 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3i1t h ARG 28 N -0.63 0.41 0.00 1.61 0.11 0.18 0.74 114.38 116.79 3i1t h ARG 28 Ca -0.42 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.63 3i1t h ARG 28 Cb 1.35 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.33 3i1t h ARG 28 CO -0.26 0.27 0.15 0.94 0.10 0.00 0.00 179.97 181.17 3i1t n GLN 29 N -4.55 0.00 0.08 0.08 7.27 -1.26 1.00 117.38 120.00 3i1t n GLN 29 Ca 0.21 0.34 -0.10 0.00 0.07 0.00 0.00 57.00 57.53 3i1t n GLN 29 Cb 0.75 -1.65 -0.01 0.00 2.41 0.00 0.00 30.24 31.74 3i1t n GLN 29 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3i1t h VAL 30 N 0.00 1.47 0.00 1.69 2.07 0.27 -3.10 116.25 118.65 3i1t h VAL 30 Ca 0.00 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 64.98 3i1t h VAL 30 Cb 0.29 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 3i1t h VAL 30 CO 0.00 0.75 0.00 0.18 0.02 0.00 0.00 177.57 178.52 3i1t n LEU 31 N -3.69 0.00 -0.06 2.57 4.77 0.28 -1.76 117.00 119.11 3i1t n LEU 31 Ca -0.04 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.72 3i1t n LEU 31 Cb 0.80 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.77 3i1t n LEU 31 CO 0.48 0.00 -0.64 0.00 -1.33 0.00 0.00 177.39 175.90 3i1t n ALA 32 N -0.62 0.83 0.28 -1.18 0.00 -1.17 -2.53 120.51 116.12 3i1t n ALA 32 Ca 0.04 -0.53 0.14 0.00 0.00 0.00 0.00 53.44 53.08 3i1t n ALA 32 Cb 0.02 -0.60 0.38 0.00 0.00 0.00 0.00 19.45 19.25 3i1t n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1t h ARG 33 N -0.61 0.00 -0.06 0.00 -0.00 -1.68 -1.52 114.38 110.51 3i1t h ARG 33 Ca -0.38 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.08 3i1t h ARG 33 Cb 1.58 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.55 3i1t h ARG 33 CO -0.10 0.00 -0.02 0.00 0.00 0.00 0.00 179.97 179.85 3i1t h ARG 34 N 0.00 0.12 0.00 0.04 2.47 -1.45 -2.77 114.38 112.78 3i1t h ARG 34 Ca 0.00 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 3i1t h ARG 34 Cb 0.79 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.10 3i1t h ARG 34 CO 0.00 0.46 -0.26 0.00 0.56 0.00 0.00 179.97 180.73 3i1t h ARG 35 N -0.23 0.00 0.00 0.04 3.08 -1.48 -2.38 114.38 113.41 3i1t h ARG 35 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3i1t h ARG 35 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 3i1t h ARG 35 CO 0.01 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.91 3i1t h ALA 36 N 2.36 1.00 -0.02 0.04 0.00 -1.27 -1.85 119.26 119.52 3i1t h ALA 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i1t h ALA 36 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3i1t h ALA 36 CO 0.00 0.00 -0.13 1.63 0.00 0.00 0.00 179.25 180.75 3i1t n LYS 37 N -2.71 1.66 0.00 0.00 5.02 -1.05 -5.00 118.16 116.08 3i1t n LYS 37 Ca 0.02 -1.41 0.00 0.00 -2.02 0.00 0.00 58.31 54.90 3i1t n LYS 37 Cb 0.31 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 3i1t n LYS 37 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1t n GLY 38 N 1.16 0.91 1.96 0.72 0.00 -0.70 -4.85 105.19 104.38 3i1t n GLY 38 Ca 0.10 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.71 3i1t n GLY 38 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i1t n ARG 39 N 0.00 -4.45 0.00 1.61 3.00 -1.26 -4.38 116.66 111.18 3i1t n ARG 39 Ca 0.00 3.28 0.00 0.00 -0.00 0.00 0.00 57.85 61.13 3i1t n ARG 39 Cb 0.00 -3.76 0.00 0.00 0.00 0.00 0.00 32.46 28.70 3i1t n ARG 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i1t n ALA 40 N 1.54 -0.05 -2.75 5.13 0.00 -1.26 -3.84 120.51 119.27 3i1t n ALA 40 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3i1t n ALA 40 Cb 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 19.45 19.60 3i1t n ALA 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i1t s ARG 41 N -1.50 3.43 0.64 0.00 0.52 -1.26 -4.88 118.95 115.89 3i1t s ARG 41 Ca 0.00 -1.16 0.40 0.00 -0.52 0.00 0.00 55.73 54.46 3i1t s ARG 41 Cb 0.00 -4.79 2.17 0.00 0.52 0.00 0.00 34.95 32.85 3i1t s ARG 41 CO 0.00 -1.96 2.30 1.25 0.02 0.00 0.00 175.30 176.91 3i1t h LEU 42 N 11.67 0.00 0.00 2.53 5.85 -1.87 -3.31 115.31 130.18 3i1t h LEU 42 Ca 0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3i1t h LEU 42 Cb 1.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.06 3i1t h LEU 42 CO 1.24 0.01 0.00 1.07 -0.34 0.00 0.00 178.44 180.42 3i1t n THR 43 N -3.22 0.00 -3.48 1.05 5.66 -1.26 -5.03 114.28 108.00 3i1t n THR 43 Ca -0.02 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.78 3i1t n THR 43 Cb 0.11 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.84 3i1t n THR 43 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 3i1t n VAL 44 N 0.00 -0.46 0.86 1.08 0.24 -1.25 -4.72 118.33 114.08 3i1t n VAL 44 Ca 0.00 -0.23 0.04 0.00 -2.04 0.00 0.00 64.34 62.11 3i1t n VAL 44 Cb 0.38 -0.52 0.13 0.00 -1.47 0.00 0.00 33.84 32.36 3i1t n VAL 44 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3i1t n SER 45 N -1.44 1.87 -0.25 -1.34 3.41 -1.26 -5.04 113.62 109.57 3i1t n SER 45 Ca -0.14 -2.12 0.03 0.00 -0.26 0.00 0.00 58.87 56.39 3i1t n SER 45 Cb 0.37 -0.32 0.03 0.00 -0.26 0.00 0.00 64.21 64.03 3i1t n SER 45 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17