#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1n s LYS 2 N 0.00 3.94 0.65 2.12 2.20 -1.26 -4.99 119.74 122.40 3i1n s LYS 2 Ca 0.00 2.43 0.03 0.00 -0.36 0.00 0.00 55.97 58.07 3i1n s LYS 2 Cb 0.00 -4.18 0.10 0.00 -1.51 0.00 0.00 37.83 32.24 3i1n s LYS 2 CO 0.00 -1.18 0.90 1.03 -0.36 0.00 0.00 175.35 175.74 3i1n s ARG 3 N 4.80 1.98 0.14 4.03 1.81 -1.26 -5.05 118.95 125.39 3i1n s ARG 3 Ca 0.89 -1.27 0.17 0.00 -1.72 0.00 0.00 55.73 53.80 3i1n s ARG 3 Cb -0.39 -2.46 -0.07 0.00 -0.45 0.00 0.00 34.95 31.58 3i1n s ARG 3 CO 0.39 -1.17 1.02 1.79 -0.68 0.00 0.00 175.30 176.66 3i1n h THR 4 N -0.22 0.57 -2.85 0.02 1.35 -2.09 -3.42 112.91 106.28 3i1n h THR 4 Ca -0.35 -1.99 -0.62 0.00 -0.55 0.00 0.00 66.41 62.90 3i1n h THR 4 Cb 1.28 2.11 -0.14 0.00 -1.73 0.00 0.00 68.15 69.67 3i1n h THR 4 CO 0.41 0.32 0.55 0.12 -0.25 0.00 0.00 175.52 176.67 3i1n s PHE 5 N -2.97 2.71 -0.46 4.73 5.99 -1.26 -4.97 117.98 121.76 3i1n s PHE 5 Ca -0.01 -0.35 -0.07 0.00 0.00 0.00 0.00 56.93 56.50 3i1n s PHE 5 Cb 0.08 -4.20 0.12 0.00 0.00 0.00 0.00 43.02 39.02 3i1n s PHE 5 CO 0.79 -1.54 0.30 -0.65 -0.00 0.00 0.00 175.22 174.12 3i1n s GLN 6 N 4.03 2.31 0.56 10.12 -1.52 -1.26 -5.06 119.66 128.83 3i1n s GLN 6 Ca 0.25 -1.82 -0.21 0.00 -1.95 0.00 0.00 55.36 51.63 3i1n s GLN 6 Cb -0.15 -3.79 -0.04 0.00 -0.22 0.00 0.00 33.01 28.80 3i1n s GLN 6 CO 0.13 -1.15 1.30 -1.25 -0.25 0.00 0.00 175.29 174.08 3i1n s PRO 7 N 1.21 3.08 -0.30 2.91 0.04 -1.26 -5.03 135.00 135.65 3i1n s PRO 7 Ca 0.07 2.09 -0.13 0.00 0.04 0.00 0.00 61.00 63.07 3i1n s PRO 7 Cb -0.24 -2.15 0.17 0.00 0.04 0.00 0.00 34.50 32.32 3i1n s PRO 7 CO -0.02 -1.19 0.98 0.45 0.04 0.00 0.00 177.00 177.25 3i1n s SER 8 N -1.17 -0.61 0.09 6.66 0.15 -1.26 -5.07 113.70 112.49 3i1n s SER 8 Ca 0.74 0.62 -0.15 0.00 0.70 0.00 0.00 55.95 57.85 3i1n s SER 8 Cb -0.37 1.61 -0.11 0.00 -1.71 0.00 0.00 66.02 65.44 3i1n s SER 8 CO 0.43 -0.12 1.38 1.62 1.20 0.00 0.00 173.24 177.75 3i1n h VAL 9 N 5.49 1.31 -0.99 4.45 3.04 -1.98 0.35 116.25 127.92 3i1n h VAL 9 Ca -0.16 -1.58 0.08 0.00 -1.01 0.00 0.00 66.70 64.04 3i1n h VAL 9 Cb 1.14 1.73 -0.07 0.00 -2.01 0.00 0.00 31.29 32.08 3i1n h VAL 9 CO 0.04 0.50 0.63 0.25 -1.01 0.00 0.00 177.57 177.98 3i1n h LEU 10 N 0.41 0.99 0.06 3.16 5.85 -1.98 0.17 115.31 123.96 3i1n h LEU 10 Ca 0.02 0.02 -0.24 0.00 0.84 0.00 0.00 57.88 58.52 3i1n h LEU 10 Cb 0.97 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 3i1n h LEU 10 CO 0.09 0.60 -1.14 0.11 -0.34 0.00 0.00 178.44 177.76 3i1n h LYS 11 N 1.10 0.14 0.12 1.25 1.57 -1.89 -0.98 116.57 117.89 3i1n h LYS 11 Ca 0.45 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3i1n h LYS 11 Cb 0.26 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3i1n h LYS 11 CO -0.20 1.10 -0.09 -0.09 -0.57 0.00 0.00 179.45 179.60 3i1n h ARG 12 N 0.04 -0.21 0.00 3.15 2.43 0.38 0.18 114.38 120.35 3i1n h ARG 12 Ca -0.08 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 3i1n h ARG 12 Cb 1.87 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 31.47 3i1n h ARG 12 CO 0.17 -0.14 -0.23 -0.91 -1.51 0.00 0.00 179.97 177.35 3i1n h ASN 13 N -0.22 0.00 1.08 -3.80 -0.26 -0.68 -0.63 115.58 111.07 3i1n h ASN 13 Ca -0.01 0.00 -0.19 0.00 -0.56 0.00 0.00 56.30 55.54 3i1n h ASN 13 Cb 0.19 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.43 3i1n h ASN 13 CO -0.00 0.23 -0.93 0.03 -1.06 0.00 0.00 177.43 175.69 3i1n h ARG 14 N 0.00 0.00 0.04 0.81 3.08 -0.91 -3.03 114.38 114.37 3i1n h ARG 14 Ca -0.00 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.69 3i1n h ARG 14 Cb 0.70 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.71 3i1n h ARG 14 CO 0.03 0.91 -2.04 0.43 -1.07 0.00 0.00 179.97 178.22 3i1n n SER 15 N -3.32 2.00 -0.44 7.04 7.64 0.03 -4.60 113.62 121.96 3i1n n SER 15 Ca 0.00 0.20 0.06 0.00 1.01 0.00 0.00 58.87 60.14 3i1n n SER 15 Cb 0.91 -0.77 0.10 0.00 -1.01 0.00 0.00 64.21 63.43 3i1n n SER 15 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3i1n n HIS 16 N -3.80 0.00 -1.57 1.43 8.25 -0.29 -4.90 115.22 114.35 3i1n n HIS 16 Ca -0.40 -0.72 -0.29 0.00 -0.26 0.00 0.00 57.72 56.05 3i1n n HIS 16 Cb 0.92 -0.14 0.15 0.00 1.12 0.00 0.00 29.99 32.04 3i1n n HIS 16 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3i1n s GLY 17 N -2.27 1.60 0.13 -1.41 0.00 -1.15 -4.86 107.32 99.35 3i1n s GLY 17 Ca 0.24 -0.64 -0.18 0.00 0.00 0.00 0.00 44.72 44.13 3i1n s GLY 17 CO -0.02 -0.04 1.77 -2.75 0.00 0.00 0.00 173.10 172.07 3i1n h PHE 18 N -1.57 0.36 -0.26 1.90 3.04 -1.85 -2.32 116.94 116.24 3i1n h PHE 18 Ca -0.49 0.00 -0.11 0.00 3.98 0.00 0.00 57.97 61.36 3i1n h PHE 18 Cb 1.32 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.70 3i1n h PHE 18 CO -0.06 0.25 -0.28 0.00 -2.02 0.00 0.00 178.31 176.21 3i1n h ARG 19 N 0.37 0.53 -0.25 1.11 3.08 -1.94 -1.07 114.38 116.21 3i1n h ARG 19 Ca 0.10 -0.22 -0.11 0.00 0.07 0.00 0.00 59.98 59.82 3i1n h ARG 19 Cb -0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3i1n h ARG 19 CO -0.02 0.76 -0.33 0.00 -1.07 0.00 0.00 179.97 179.31 3i1n h ALA 20 N 1.24 0.98 -0.45 0.04 0.00 -1.79 -1.32 119.26 117.96 3i1n h ALA 20 Ca 0.06 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 3i1n h ALA 20 Cb 0.73 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3i1n h ALA 20 CO 0.06 0.60 -0.21 -0.09 0.00 0.00 0.00 179.25 179.61 3i1n h ARG 21 N 0.44 0.90 0.00 0.00 9.65 -1.16 -2.27 114.38 121.94 3i1n h ARG 21 Ca 0.05 -0.37 0.00 0.00 -1.10 0.00 0.00 59.98 58.56 3i1n h ARG 21 Cb 0.79 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.33 3i1n h ARG 21 CO 0.06 1.02 0.00 -0.12 2.80 0.00 0.00 179.97 183.73 3i1n n MET 22 N -4.11 0.60 0.00 0.20 1.56 -0.43 -0.09 117.12 114.84 3i1n n MET 22 Ca 0.00 0.03 0.12 0.00 -0.27 0.00 0.00 57.70 57.58 3i1n n MET 22 Cb 0.44 -1.50 0.21 0.00 2.15 0.00 0.00 33.22 34.52 3i1n n MET 22 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3i1n n ALA 23 N -1.10 2.50 -3.62 -5.12 0.00 -0.58 -4.79 120.51 107.80 3i1n n ALA 23 Ca 0.15 -0.63 -0.10 0.00 0.00 0.00 0.00 53.44 52.87 3i1n n ALA 23 Cb 0.11 -0.90 -0.08 0.00 0.00 0.00 0.00 19.45 18.59 3i1n n ALA 23 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3i1n s THR 24 N -2.00 -0.00 0.18 0.00 -1.32 -1.23 -5.02 115.64 106.23 3i1n s THR 24 Ca 0.30 0.01 -0.02 0.00 -1.21 0.00 0.00 61.69 60.78 3i1n s THR 24 Cb 0.20 -0.91 0.26 0.00 -1.51 0.00 0.00 72.50 70.54 3i1n s THR 24 CO 0.31 0.01 0.92 1.17 -2.21 0.00 0.00 174.62 174.82 3i1n n LYS 25 N 3.70 -0.05 0.06 7.08 3.00 -1.26 0.09 118.16 130.77 3i1n n LYS 25 Ca -0.18 0.90 -0.07 0.00 -0.00 0.00 0.00 58.31 58.96 3i1n n LYS 25 Cb 0.57 -1.39 -0.11 0.00 0.00 0.00 0.00 35.03 34.09 3i1n n LYS 25 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 3i1n h ASN 26 N 0.00 0.00 -0.20 3.14 -0.26 -1.96 -1.47 115.58 114.84 3i1n h ASN 26 Ca 0.32 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 56.01 3i1n h ASN 26 Cb 0.60 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.85 3i1n h ASN 26 CO -0.58 0.98 -0.07 1.23 -1.06 0.00 0.00 177.43 177.92 3i1n h GLY 27 N 3.04 0.43 0.39 2.83 0.00 -0.40 -0.46 103.07 108.91 3i1n h GLY 27 Ca -0.02 -0.38 0.12 0.00 0.00 0.00 0.00 47.33 47.05 3i1n h GLY 27 CO 0.13 0.34 0.47 3.21 0.00 0.00 0.00 176.54 180.69 3i1n h ARG 28 N 0.11 0.72 -0.90 4.80 3.08 0.16 0.12 114.38 122.46 3i1n h ARG 28 Ca 0.05 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.07 3i1n h ARG 28 Cb 0.54 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.39 3i1n h ARG 28 CO 0.02 0.47 0.59 1.96 -1.07 0.00 0.00 179.97 181.95 3i1n h GLN 29 N 0.74 1.17 -0.16 0.04 4.20 -0.90 0.83 115.11 121.03 3i1n h GLN 29 Ca 0.43 -0.07 0.05 0.00 0.06 0.00 0.00 58.65 59.12 3i1n h GLN 29 Cb 0.50 -0.26 -0.06 0.00 0.30 0.00 0.00 27.48 27.96 3i1n h GLN 29 CO -0.30 0.77 -0.21 0.28 -0.67 0.00 0.00 178.83 178.70 3i1n h VAL 30 N 1.20 0.47 -0.65 -0.54 2.07 0.85 0.13 116.25 119.79 3i1n h VAL 30 Ca 0.33 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.92 3i1n h VAL 30 Cb -0.12 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.06 3i1n h VAL 30 CO -0.08 0.00 0.33 -0.07 0.02 0.00 0.00 177.57 177.77 3i1n h LEU 31 N -0.25 0.44 0.16 2.57 3.38 -0.53 -1.98 115.31 119.10 3i1n h LEU 31 Ca 0.11 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.13 3i1n h LEU 31 Cb 0.42 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 3i1n h LEU 31 CO -0.30 0.28 -0.47 0.00 0.09 0.00 0.00 178.44 178.03 3i1n h ALA 32 N 1.37 -0.98 -0.81 1.53 0.00 0.23 0.10 119.26 120.71 3i1n h ALA 32 Ca 0.30 -0.11 0.18 0.00 0.00 0.00 0.00 54.91 55.28 3i1n h ALA 32 Cb 0.26 0.83 -0.15 0.00 0.00 0.00 0.00 17.79 18.73 3i1n h ALA 32 CO -0.22 -1.08 -0.12 0.00 0.00 0.00 0.00 179.25 177.83 3i1n h ARG 33 N -0.71 0.03 -0.30 0.00 3.08 -0.71 0.20 114.38 115.98 3i1n h ARG 33 Ca -0.01 -0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 3i1n h ARG 33 Cb 0.69 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 3i1n h ARG 33 CO -0.23 0.02 -0.15 0.00 -1.07 0.00 0.00 179.97 178.54 3i1n h ARG 34 N 0.03 0.62 -0.92 0.04 3.08 -0.82 0.25 114.38 116.66 3i1n h ARG 34 Ca 0.42 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3i1n h ARG 34 Cb 0.69 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.68 3i1n h ARG 34 CO -0.79 0.86 0.53 0.00 -1.07 0.00 0.00 179.97 179.50 3i1n h ARG 35 N 0.37 1.27 -0.70 0.04 3.08 0.23 -1.03 114.38 117.64 3i1n h ARG 35 Ca 0.06 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 3i1n h ARG 35 Cb 0.67 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 3i1n h ARG 35 CO 0.04 0.91 0.29 0.00 -1.07 0.00 0.00 179.97 180.14 3i1n h ALA 36 N 1.30 1.18 0.00 0.04 0.00 -0.69 -1.34 119.26 119.75 3i1n h ALA 36 Ca 0.33 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3i1n h ALA 36 Cb -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3i1n h ALA 36 CO -0.06 0.60 0.00 -0.22 0.00 0.00 0.00 179.25 179.57 3i1n h LYS 37 N 1.02 0.00 -0.01 0.00 3.64 0.15 -3.46 116.57 117.91 3i1n h LYS 37 Ca 0.24 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3i1n h LYS 37 Cb 0.18 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3i1n h LYS 37 CO -0.02 0.00 -0.00 0.41 -2.27 0.00 0.00 179.45 177.57 3i1n n GLY 38 N 0.14 0.37 3.72 5.01 0.00 -0.50 -5.00 105.19 108.94 3i1n n GLY 38 Ca 0.02 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 3i1n n GLY 38 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i1n n ARG 39 N -1.48 2.03 0.08 1.61 3.00 -0.85 -4.91 116.66 116.15 3i1n n ARG 39 Ca -0.00 0.72 -0.09 0.00 -0.00 0.00 0.00 57.85 58.48 3i1n n ARG 39 Cb 0.38 -2.47 -0.07 0.00 0.00 0.00 0.00 32.46 30.31 3i1n n ARG 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i1n h ALA 40 N 2.14 0.39 -3.36 5.13 0.00 -1.94 -3.42 119.26 118.20 3i1n h ALA 40 Ca -0.49 -0.81 -0.63 0.00 0.00 0.00 0.00 54.91 52.97 3i1n h ALA 40 Cb 1.29 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 18.58 3i1n h ALA 40 CO 0.60 1.04 -0.69 1.03 0.00 0.00 0.00 179.25 181.23 3i1n s ARG 41 N -2.94 1.57 0.28 0.00 0.52 -1.26 -4.99 118.95 112.13 3i1n s ARG 41 Ca -0.02 -2.14 -0.00 0.00 -0.52 0.00 0.00 55.73 53.06 3i1n s ARG 41 Cb 0.10 -2.95 0.65 0.00 0.52 0.00 0.00 34.95 33.27 3i1n s ARG 41 CO 0.83 -1.06 1.62 -0.07 0.02 0.00 0.00 175.30 176.65 3i1n h LEU 42 N 7.01 -0.21 0.00 2.53 -0.00 -1.96 -3.40 115.31 119.29 3i1n h LEU 42 Ca -0.06 0.22 0.00 0.00 -0.00 0.00 0.00 57.88 58.04 3i1n h LEU 42 Cb 0.95 0.34 0.00 0.00 -0.00 0.00 0.00 40.66 41.95 3i1n h LEU 42 CO 0.58 -0.21 -0.06 0.35 -0.00 0.00 0.00 178.44 179.09 3i1n n THR 43 N -5.32 0.00 -0.28 0.22 -2.24 -1.26 -4.95 114.28 100.44 3i1n n THR 43 Ca 0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 3i1n n THR 43 Cb 0.65 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 3i1n n THR 43 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3i1n n VAL 44 N -0.50 -0.61 -1.21 2.28 0.31 -1.26 -4.73 118.33 112.60 3i1n n VAL 44 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i1n n VAL 44 Cb 0.03 -0.87 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 3i1n n VAL 44 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3i1n n SER 45 N 0.00 0.11 0.00 4.52 7.64 -1.26 -4.75 113.62 119.88 3i1n n SER 45 Ca 0.00 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.02 3i1n n SER 45 Cb 0.00 0.00 0.82 0.00 -1.01 0.00 0.00 64.21 64.02 3i1n n SER 45 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20