#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1p n LYS 2 N 0.00 0.54 -2.72 2.12 4.81 -1.26 -4.91 118.16 116.75 3i1p n LYS 2 Ca 0.00 0.17 -0.32 0.00 -0.87 0.00 0.00 58.31 57.29 3i1p n LYS 2 Cb 0.00 -1.89 -0.05 0.00 0.02 0.00 0.00 35.03 33.11 3i1p n LYS 2 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3i1p s ARG 3 N 5.02 4.00 0.26 1.64 1.81 -1.26 -4.94 118.95 125.49 3i1p s ARG 3 Ca 1.10 0.86 0.13 0.00 -1.72 0.00 0.00 55.73 56.11 3i1p s ARG 3 Cb -1.24 -2.24 0.72 0.00 -0.45 0.00 0.00 34.95 31.74 3i1p s ARG 3 CO 0.64 -0.09 1.33 0.25 -0.68 0.00 0.00 175.30 176.75 3i1p n THR 4 N -1.07 0.92 -3.85 0.02 -2.24 -1.26 -4.21 114.28 102.59 3i1p n THR 4 Ca 0.05 0.70 -0.36 0.00 -2.27 0.00 0.00 64.05 62.17 3i1p n THR 4 Cb 0.54 -1.70 -0.13 0.00 -2.10 0.00 0.00 70.33 66.94 3i1p n THR 4 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3i1p s PHE 5 N -3.28 3.13 -0.39 4.78 5.99 -1.26 -5.06 117.98 121.88 3i1p s PHE 5 Ca -0.01 -1.29 0.01 0.00 0.00 0.00 0.00 56.93 55.64 3i1p s PHE 5 Cb 0.04 -2.16 0.13 0.00 0.00 0.00 0.00 43.02 41.02 3i1p s PHE 5 CO 0.12 -0.66 0.20 -0.65 -0.00 0.00 0.00 175.22 174.24 3i1p s GLN 6 N 1.41 0.98 0.48 10.12 -1.52 -1.26 -5.13 119.66 124.75 3i1p s GLN 6 Ca 0.01 -1.64 -0.22 0.00 -1.95 0.00 0.00 55.36 51.55 3i1p s GLN 6 Cb -0.17 -2.00 -0.09 0.00 -0.22 0.00 0.00 33.01 30.53 3i1p s GLN 6 CO -0.01 -1.14 0.99 -0.35 -0.25 0.00 0.00 175.29 174.54 3i1p n PRO 7 N 3.94 1.23 -2.73 2.91 -0.04 -1.26 -5.02 135.00 134.02 3i1p n PRO 7 Ca 0.07 0.45 -0.03 0.00 -0.04 0.00 0.00 63.50 63.95 3i1p n PRO 7 Cb 0.37 -2.09 0.02 0.00 -0.04 0.00 0.00 33.50 31.75 3i1p n PRO 7 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3i1p s SER 8 N -0.89 -0.68 0.32 3.54 1.04 -1.26 -5.08 113.70 110.69 3i1p s SER 8 Ca 0.67 -0.75 0.10 0.00 0.48 0.00 0.00 55.95 56.45 3i1p s SER 8 Cb -0.50 0.89 0.95 0.00 0.10 0.00 0.00 66.02 67.46 3i1p s SER 8 CO 0.54 -0.03 1.66 1.62 0.98 0.00 0.00 173.24 178.01 3i1p h VAL 9 N 3.46 0.32 -0.58 5.02 3.04 -1.96 0.11 116.25 125.66 3i1p h VAL 9 Ca 0.01 -0.10 0.02 0.00 -1.01 0.00 0.00 66.70 65.62 3i1p h VAL 9 Cb 1.16 -0.01 -0.03 0.00 -2.01 0.00 0.00 31.29 30.39 3i1p h VAL 9 CO -0.06 0.06 0.37 0.25 -1.01 0.00 0.00 177.57 177.17 3i1p h LEU 10 N 0.30 0.62 0.08 3.16 6.46 -1.99 -1.27 115.31 122.68 3i1p h LEU 10 Ca 0.67 -0.01 -0.13 0.00 -0.12 0.00 0.00 57.88 58.29 3i1p h LEU 10 Cb 1.46 -0.14 0.01 0.00 -0.73 0.00 0.00 40.66 41.26 3i1p h LEU 10 CO -0.62 0.44 -0.61 0.50 -0.62 0.00 0.00 178.44 177.53 3i1p h LYS 11 N 0.74 0.18 -0.30 1.25 3.64 -1.38 -2.07 116.57 118.62 3i1p h LYS 11 Ca 0.22 -0.30 0.09 0.00 -1.27 0.00 0.00 60.65 59.39 3i1p h LYS 11 Cb -0.04 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3i1p h LYS 11 CO -0.07 1.14 0.46 -0.09 -2.27 0.00 0.00 179.45 178.62 3i1p h ARG 12 N -0.61 0.00 0.06 1.90 2.43 -0.87 0.74 114.38 118.03 3i1p h ARG 12 Ca -0.12 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.70 3i1p h ARG 12 Cb 1.41 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.92 3i1p h ARG 12 CO 0.07 0.00 -2.08 -1.71 -1.51 0.00 0.00 179.97 174.75 3i1p n ASN 13 N -3.41 1.61 0.26 -3.80 2.85 -0.48 -4.15 115.26 108.14 3i1p n ASN 13 Ca 0.05 0.16 0.13 0.00 -0.11 0.00 0.00 54.58 54.81 3i1p n ASN 13 Cb 0.60 -0.41 0.70 0.00 1.24 0.00 0.00 39.78 41.91 3i1p n ASN 13 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 3i1p h ARG 14 N 0.03 0.00 0.00 1.20 2.43 -0.11 0.50 114.38 118.44 3i1p h ARG 14 Ca -0.44 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.72 3i1p h ARG 14 Cb 2.02 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.56 3i1p h ARG 14 CO 0.04 0.12 -0.31 0.43 -1.51 0.00 0.00 179.97 178.75 3i1p n SER 15 N -3.48 1.88 0.00 -3.80 7.64 -1.05 -4.62 113.62 110.18 3i1p n SER 15 Ca -0.01 -3.38 0.00 0.00 1.01 0.00 0.00 58.87 56.49 3i1p n SER 15 Cb 0.28 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 3i1p n SER 15 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3i1p n HIS 16 N -1.13 0.00 -0.99 1.43 8.25 -1.13 -5.05 115.22 116.59 3i1p n HIS 16 Ca 0.16 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.33 3i1p n HIS 16 Cb 0.69 0.00 0.17 0.00 1.12 0.00 0.00 29.99 31.97 3i1p n HIS 16 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3i1p s GLY 17 N 0.00 1.61 0.12 -1.41 0.00 0.17 -4.78 107.32 103.03 3i1p s GLY 17 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 44.72 44.45 3i1p s GLY 17 CO 0.00 0.54 1.63 -2.75 0.00 0.00 0.00 173.10 172.51 3i1p h PHE 18 N -1.84 -0.78 -0.90 1.90 3.04 -1.87 -1.23 116.94 115.27 3i1p h PHE 18 Ca -0.51 0.02 0.18 0.00 3.98 0.00 0.00 57.97 61.64 3i1p h PHE 18 Cb 1.29 0.34 -0.07 0.00 2.56 0.00 0.00 35.95 40.07 3i1p h PHE 18 CO 0.40 -0.38 0.59 0.00 -2.02 0.00 0.00 178.31 176.89 3i1p h ARG 19 N -0.45 0.51 0.00 1.11 3.08 -1.93 1.13 114.38 117.83 3i1p h ARG 19 Ca 0.05 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3i1p h ARG 19 Cb 0.52 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3i1p h ARG 19 CO -0.22 0.34 -0.37 0.00 -1.07 0.00 0.00 179.97 178.64 3i1p n ALA 20 N -2.47 2.78 0.06 0.04 0.00 -1.03 -2.73 120.51 117.16 3i1p n ALA 20 Ca 0.19 -0.19 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3i1p n ALA 20 Cb 0.61 -1.28 -0.14 0.00 0.00 0.00 0.00 19.45 18.64 3i1p n ALA 20 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i1p h ARG 21 N 0.00 0.16 -0.00 0.00 2.43 0.24 -3.28 114.38 113.92 3i1p h ARG 21 Ca 0.00 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 3i1p h ARG 21 Cb 0.68 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 3i1p h ARG 21 CO 0.00 1.02 -0.31 -0.12 -1.51 0.00 0.00 179.97 179.04 3i1p n MET 22 N -3.39 0.55 -2.69 0.20 1.56 0.56 -1.30 117.12 112.61 3i1p n MET 22 Ca -0.11 -0.31 -0.42 0.00 -0.27 0.00 0.00 57.70 56.59 3i1p n MET 22 Cb 1.02 -1.49 0.01 0.00 2.15 0.00 0.00 33.22 34.90 3i1p n MET 22 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3i1p n ALA 23 N -0.95 5.58 0.00 -5.12 0.00 -1.10 -4.80 120.51 114.11 3i1p n ALA 23 Ca 0.10 -4.60 0.00 0.00 0.00 0.00 0.00 53.44 48.94 3i1p n ALA 23 Cb 0.34 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.31 3i1p n ALA 23 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3i1p n THR 24 N 1.45 0.00 1.23 0.00 5.66 -1.26 -4.95 114.28 116.42 3i1p n THR 24 Ca 0.37 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 61.47 3i1p n THR 24 Cb 0.31 0.00 0.38 0.00 -1.55 0.00 0.00 70.33 69.47 3i1p n THR 24 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 3i1p n LYS 25 N 0.00 1.73 -0.00 1.09 4.81 -1.26 0.23 118.16 124.76 3i1p n LYS 25 Ca 0.00 -1.10 0.04 0.00 -0.87 0.00 0.00 58.31 56.39 3i1p n LYS 25 Cb 0.00 -1.40 -0.06 0.00 0.02 0.00 0.00 35.03 33.59 3i1p n LYS 25 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3i1p n ASN 26 N 0.32 2.29 -0.10 3.14 4.05 -1.26 -4.50 115.26 119.20 3i1p n ASN 26 Ca 0.16 -0.19 -0.15 0.00 0.45 0.00 0.00 54.58 54.86 3i1p n ASN 26 Cb 0.33 1.30 -0.05 0.00 1.23 0.00 0.00 39.78 42.59 3i1p n ASN 26 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3i1p n GLY 27 N 1.79 -0.51 0.37 8.20 0.00 -1.10 -4.35 105.19 109.59 3i1p n GLY 27 Ca -0.01 -0.27 0.27 0.00 0.00 0.00 0.00 46.02 46.00 3i1p n GLY 27 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3i1p h ARG 28 N -0.99 0.27 0.00 1.61 0.11 0.11 1.98 114.38 117.48 3i1p h ARG 28 Ca -0.20 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.87 3i1p h ARG 28 Cb 1.16 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.18 3i1p h ARG 28 CO -0.12 0.18 0.26 0.94 0.10 0.00 0.00 179.97 181.33 3i1p n GLN 29 N -4.91 0.01 0.09 0.08 7.27 -1.26 0.89 117.38 119.54 3i1p n GLN 29 Ca 0.32 0.28 -0.12 0.00 0.07 0.00 0.00 57.00 57.55 3i1p n GLN 29 Cb 1.07 -1.79 -0.08 0.00 2.41 0.00 0.00 30.24 31.85 3i1p n GLN 29 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3i1p h VAL 30 N 0.00 1.52 0.00 1.69 2.07 0.29 -3.17 116.25 118.65 3i1p h VAL 30 Ca 0.00 -2.89 0.00 0.00 0.82 0.00 0.00 66.70 64.63 3i1p h VAL 30 Cb 0.52 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 33.00 3i1p h VAL 30 CO 0.00 0.84 0.00 0.18 0.02 0.00 0.00 177.57 178.61 3i1p n LEU 31 N -3.58 0.00 -0.05 2.57 4.77 0.26 -1.68 117.00 119.29 3i1p n LEU 31 Ca -0.05 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.71 3i1p n LEU 31 Cb 0.92 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.88 3i1p n LEU 31 CO 0.51 0.00 -0.69 0.00 -1.33 0.00 0.00 177.39 175.87 3i1p n ALA 32 N -0.77 0.85 0.17 -1.18 0.00 -1.20 -2.28 120.51 116.10 3i1p n ALA 32 Ca 0.06 -0.56 0.04 0.00 0.00 0.00 0.00 53.44 52.98 3i1p n ALA 32 Cb 0.03 -0.60 0.29 0.00 0.00 0.00 0.00 19.45 19.17 3i1p n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1p h ARG 33 N -0.47 0.00 0.34 0.00 -0.00 -1.67 -1.89 114.38 110.69 3i1p h ARG 33 Ca -0.40 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.07 3i1p h ARG 33 Cb 1.67 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.64 3i1p h ARG 33 CO -0.07 0.44 -0.21 0.00 0.00 0.00 0.00 179.97 180.13 3i1p h ARG 34 N 0.00 -0.51 0.00 0.04 2.47 -1.43 -2.07 114.38 112.88 3i1p h ARG 34 Ca -0.00 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 3i1p h ARG 34 Cb 0.95 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.38 3i1p h ARG 34 CO 0.06 -0.34 0.00 0.00 0.56 0.00 0.00 179.97 180.25 3i1p h ARG 35 N -0.53 0.00 0.00 0.04 3.08 -1.47 -1.29 114.38 114.21 3i1p h ARG 35 Ca -0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3i1p h ARG 35 Cb 0.44 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 3i1p h ARG 35 CO 0.04 0.00 -0.04 0.00 -1.07 0.00 0.00 179.97 178.89 3i1p h ALA 36 N 2.01 1.01 -0.00 0.04 0.00 -1.28 -0.52 119.26 120.52 3i1p h ALA 36 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i1p h ALA 36 Cb 0.99 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3i1p h ALA 36 CO 0.00 0.06 -0.68 1.63 0.00 0.00 0.00 179.25 180.26 3i1p n LYS 37 N -3.16 0.14 0.00 0.00 5.02 -0.79 -5.00 118.16 114.38 3i1p n LYS 37 Ca 0.01 -0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 3i1p n LYS 37 Cb 0.34 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 3i1p n LYS 37 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1p n GLY 38 N 1.48 1.34 2.09 0.72 0.00 -0.21 -4.87 105.19 105.75 3i1p n GLY 38 Ca 0.06 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.49 3i1p n GLY 38 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i1p n ARG 39 N 0.00 -4.79 0.00 1.61 3.00 -1.26 -4.41 116.66 110.82 3i1p n ARG 39 Ca 0.00 3.49 0.00 0.00 -0.00 0.00 0.00 57.85 61.34 3i1p n ARG 39 Cb 0.00 -4.10 0.00 0.00 0.00 0.00 0.00 32.46 28.36 3i1p n ARG 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i1p n ALA 40 N 1.66 -0.13 -2.95 5.13 0.00 -1.26 -3.66 120.51 119.31 3i1p n ALA 40 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 3i1p n ALA 40 Cb 0.00 0.28 -0.04 0.00 0.00 0.00 0.00 19.45 19.70 3i1p n ALA 40 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i1p s ARG 41 N -2.48 3.25 0.26 0.00 0.52 -1.26 -4.90 118.95 114.35 3i1p s ARG 41 Ca 0.00 -1.26 0.23 0.00 -0.52 0.00 0.00 55.73 54.17 3i1p s ARG 41 Cb 0.00 -4.45 1.00 0.00 0.52 0.00 0.00 34.95 32.03 3i1p s ARG 41 CO 0.00 -1.73 1.69 -0.11 0.02 0.00 0.00 175.30 175.17 3i1p n LEU 42 N 6.96 0.62 0.00 2.53 7.94 -1.24 -4.07 117.00 129.74 3i1p n LEU 42 Ca 0.04 0.68 0.00 0.00 -1.11 0.00 0.00 56.01 55.62 3i1p n LEU 42 Cb 0.46 -0.63 0.00 0.00 0.53 0.00 0.00 43.42 43.78 3i1p n LEU 42 CO 0.58 -0.64 0.00 1.07 -1.11 0.00 0.00 177.39 177.29 3i1p n THR 43 N -2.22 0.00 -4.05 1.96 5.66 -1.26 -5.03 114.28 109.34 3i1p n THR 43 Ca 0.01 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.70 3i1p n THR 43 Cb 0.18 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.89 3i1p n THR 43 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 3i1p n VAL 44 N 0.00 -0.42 1.05 1.08 0.24 -1.26 -4.75 118.33 114.27 3i1p n VAL 44 Ca 0.00 -0.21 0.02 0.00 -2.04 0.00 0.00 64.34 62.11 3i1p n VAL 44 Cb 0.22 -0.63 0.08 0.00 -1.47 0.00 0.00 33.84 32.04 3i1p n VAL 44 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3i1p n SER 45 N -2.17 1.43 -0.07 -1.34 3.41 -1.26 -5.04 113.62 108.58 3i1p n SER 45 Ca -0.09 -2.10 0.01 0.00 -0.26 0.00 0.00 58.87 56.43 3i1p n SER 45 Cb 0.48 -0.32 0.01 0.00 -0.26 0.00 0.00 64.21 64.12 3i1p n SER 45 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17