#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nbl s SER 2 N 0.00 0.76 0.01 3.14 0.01 -1.26 -0.89 113.70 115.47 1nbl s SER 2 Ca 0.00 0.12 0.06 0.00 1.31 0.00 0.00 55.95 57.44 1nbl s SER 2 Cb 0.00 -0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.16 1nbl s SER 2 CO 0.00 -0.21 -0.19 0.00 0.41 0.00 0.00 173.24 173.25 1nbl h ARG 5 N 2.69 0.00 -1.68 0.00 9.65 -1.82 0.28 114.38 123.50 1nbl h ARG 5 Ca -0.47 0.00 0.29 0.00 -1.10 0.00 0.00 59.98 58.70 1nbl h ARG 5 Cb 1.19 0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 29.66 1nbl h ARG 5 CO 0.62 0.00 0.75 0.54 2.80 0.00 0.00 179.97 184.68 1nbl s ASN 6 N -5.57 -0.08 0.51 -3.80 4.22 -1.26 -4.29 114.94 104.67 1nbl s ASN 6 Ca -0.05 -0.21 0.25 0.00 -2.14 0.00 0.00 52.86 50.71 1nbl s ASN 6 Cb 0.14 0.24 1.36 0.00 1.28 0.00 0.00 41.25 44.27 1nbl s ASN 6 CO 0.47 -0.44 2.06 0.74 -2.04 0.00 0.00 177.10 177.89 1nbl h THR 7 N 2.00 0.68 -0.17 0.54 2.02 -1.94 0.20 112.91 116.24 1nbl h THR 7 Ca -0.29 -0.55 0.04 0.00 0.77 0.00 0.00 66.41 66.38 1nbl h THR 7 Cb 1.21 1.34 -0.04 0.00 -1.74 0.00 0.00 68.15 68.91 1nbl h THR 7 CO 0.28 0.13 -0.11 0.25 0.37 0.00 0.00 175.52 176.44 1nbl h LEU 8 N 0.00 -0.35 -0.41 2.58 6.46 -1.98 0.37 115.31 121.97 1nbl h LEU 8 Ca -0.00 0.08 -0.18 0.00 -0.12 0.00 0.00 57.88 57.66 1nbl h LEU 8 Cb 0.33 0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 40.44 1nbl h LEU 8 CO 0.02 -0.14 -0.66 0.00 -0.62 0.00 0.00 178.44 177.03 1nbl h ALA 9 N 1.03 0.59 -0.90 1.25 0.00 -1.20 0.02 119.26 120.06 1nbl h ALA 9 Ca 0.10 -0.57 0.07 0.00 0.00 0.00 0.00 54.91 54.51 1nbl h ALA 9 Cb 0.26 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 1nbl h ALA 9 CO -0.24 0.72 0.56 -0.09 0.00 0.00 0.00 179.25 180.21 1nbl h ARG 10 N 0.38 0.97 0.10 0.00 9.65 -0.78 0.35 114.38 125.04 1nbl h ARG 10 Ca -0.02 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 58.80 1nbl h ARG 10 Cb 1.23 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 29.60 1nbl h ARG 10 CO 0.12 0.64 -0.05 -0.91 2.80 0.00 0.00 179.97 182.58 1nbl h ASN 11 N 1.00 -0.11 -0.88 -3.80 2.35 -0.28 0.66 115.58 114.52 1nbl h ASN 11 Ca 0.40 -0.36 0.21 0.00 -0.55 0.00 0.00 56.30 56.00 1nbl h ASN 11 Cb 0.21 0.03 -0.12 0.00 0.05 0.00 0.00 38.32 38.49 1nbl h ASN 11 CO -0.19 0.32 0.38 0.00 -1.65 0.00 0.00 177.43 176.30 1nbl h TYR 13 N 0.41 0.21 -0.17 0.00 5.03 -0.11 0.51 116.97 122.84 1nbl h TYR 13 Ca 0.54 -0.06 -0.04 0.00 2.58 0.00 0.00 58.73 61.75 1nbl h TYR 13 Cb 1.00 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 39.23 1nbl h TYR 13 CO -0.14 0.62 -0.08 -0.91 -1.32 0.00 0.00 178.16 176.32 1nbl h ASN 14 N -0.26 0.25 -0.08 -2.11 2.35 -0.72 -0.42 115.58 114.59 1nbl h ASN 14 Ca 0.01 -0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.65 1nbl h ASN 14 Cb 0.59 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1nbl h ASN 14 CO 0.02 0.37 -0.22 0.00 -1.65 0.00 0.00 177.43 175.95 1nbl h ALA 15 N 1.67 0.13 -0.71 -0.83 0.00 -0.75 -1.71 119.26 117.05 1nbl h ALA 15 Ca 0.06 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.59 1nbl h ALA 15 Cb 0.31 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1nbl h ALA 15 CO 0.02 0.10 0.47 0.00 0.00 0.00 0.00 179.25 179.84 1nbl h ARG 17 N 0.95 0.61 0.35 0.00 9.65 -1.06 -1.04 114.38 123.84 1nbl h ARG 17 Ca 0.27 -0.13 -0.02 0.00 -1.10 0.00 0.00 59.98 59.00 1nbl h ARG 17 Cb -0.08 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.42 1nbl h ARG 17 CO -0.06 0.61 -0.17 0.35 2.80 0.00 0.00 179.97 183.50 1nbl h PHE 18 N 0.59 -0.44 0.00 2.20 3.04 -0.23 -3.37 116.94 118.73 1nbl h PHE 18 Ca 0.13 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.07 1nbl h PHE 18 Cb 0.32 0.15 0.00 0.00 2.56 0.00 0.00 35.95 38.98 1nbl h PHE 18 CO 0.01 -0.27 0.00 0.25 -2.02 0.00 0.00 178.31 176.29 1nbl n THR 19 N -5.29 0.00 -0.55 4.41 -2.24 0.29 -4.74 114.28 106.16 1nbl n THR 19 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1nbl n THR 19 Cb 0.21 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 1nbl n THR 19 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nbl n GLY 20 N 0.14 0.77 3.77 3.38 0.00 -1.24 -4.99 105.19 107.02 1nbl n GLY 20 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1nbl n GLY 20 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nbl s GLY 21 N -2.00 2.92 0.00 -0.02 0.00 -0.48 -5.03 107.32 102.71 1nbl s GLY 21 Ca 0.00 1.30 0.00 0.00 0.00 0.00 0.00 44.72 46.02 1nbl s GLY 21 CO 0.00 1.89 0.00 1.44 0.00 0.00 0.00 173.10 176.43 1nbl n SER 22 N 0.03 0.00 0.00 1.64 7.64 -1.26 -3.68 113.62 118.00 1nbl n SER 22 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1nbl n SER 22 Cb 0.43 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 1nbl n SER 22 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nbl n GLN 23 N 0.00 0.00 0.06 1.43 6.02 -1.26 -4.19 117.38 119.44 1nbl n GLN 23 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 1nbl n GLN 23 Cb 0.00 -0.83 -0.05 0.00 1.02 0.00 0.00 30.24 30.38 1nbl n GLN 23 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1nbl h PRO 24 N 0.00 -0.30 -0.92 -1.09 0.11 -1.98 -0.58 132.00 127.25 1nbl h PRO 24 Ca 0.00 0.02 0.17 0.00 0.11 0.00 0.00 66.00 66.30 1nbl h PRO 24 Cb 0.93 0.07 -0.10 0.00 0.11 0.00 0.00 31.00 32.01 1nbl h PRO 24 CO 0.00 -0.20 0.51 1.15 -0.21 0.00 0.00 178.00 179.25 1nbl h THR 25 N -0.31 0.69 0.00 -1.15 2.02 -1.96 0.19 112.91 112.40 1nbl h THR 25 Ca 0.05 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 1nbl h THR 25 Cb 0.38 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 1nbl h THR 25 CO -0.17 0.12 -0.00 0.00 0.37 0.00 0.00 175.52 175.84 1nbl h GLY 27 N -0.41 0.00 0.03 0.00 0.00 -0.80 -0.27 103.07 101.62 1nbl h GLY 27 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1nbl h GLY 27 CO 0.00 0.00 -0.01 -2.22 0.00 0.00 0.00 176.54 174.31 1nbl h ILE 28 N 0.00 0.00 -0.67 2.60 2.04 -0.25 0.40 117.51 121.63 1nbl h ILE 28 Ca -0.00 -0.63 -0.04 0.00 1.00 0.00 0.00 64.86 65.19 1nbl h ILE 28 Cb 0.19 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.24 1nbl h ILE 28 CO 0.00 0.00 0.27 0.25 0.00 0.00 0.00 178.15 178.67 1nbl h LEU 29 N -0.67 0.93 -0.74 1.44 5.85 -0.48 -0.63 115.31 121.00 1nbl h LEU 29 Ca -0.00 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1nbl h LEU 29 Cb 0.03 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.82 1nbl h LEU 29 CO 0.01 0.84 -0.16 0.00 -0.34 0.00 0.00 178.44 178.79 1nbl n ASP 31 N -0.24 -2.36 -4.93 0.00 8.00 -0.24 -4.65 116.55 112.12 1nbl n ASP 31 Ca 0.15 -0.62 -0.21 0.00 0.71 0.00 0.00 54.79 54.82 1nbl n ASP 31 Cb 0.36 -5.07 -0.03 0.00 -0.02 0.00 0.00 41.12 36.37 1nbl n ASP 31 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nbl n ILE 33 N -1.36 0.00 -3.72 0.00 -5.35 -0.54 -4.32 119.36 104.07 1nbl n ILE 33 Ca -0.08 0.00 -0.24 0.00 -0.27 0.00 0.00 62.75 62.16 1nbl n ILE 33 Cb 0.57 0.00 -0.17 0.00 -1.74 0.00 0.00 39.64 38.30 1nbl n ILE 33 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1nbl s HIS 34 N -0.36 0.60 0.09 4.28 5.65 -1.26 -3.55 115.29 120.75 1nbl s HIS 34 Ca 0.00 -0.31 0.01 0.00 0.25 0.00 0.00 55.06 55.01 1nbl s HIS 34 Cb 0.00 -0.80 -0.04 0.00 -1.18 0.00 0.00 32.58 30.56 1nbl s HIS 34 CO 0.00 -0.41 0.20 0.14 -0.65 0.00 0.00 174.74 174.01 1nbl s VAL 35 N 2.00 5.16 -0.49 0.89 -7.23 -0.07 -4.96 120.40 115.69 1nbl s VAL 35 Ca 0.03 -0.57 0.04 0.00 -1.81 0.00 0.00 61.98 59.67 1nbl s VAL 35 Cb -0.14 -3.55 0.41 0.00 0.56 0.00 0.00 36.38 33.66 1nbl s VAL 35 CO -0.06 0.07 1.24 0.35 -0.31 0.00 0.00 175.10 176.39 1nbl n THR 36 N 0.09 2.55 -0.78 5.32 -2.24 -1.26 -3.68 114.28 114.28 1nbl n THR 36 Ca -0.06 -4.80 -0.31 0.00 -2.27 0.00 0.00 64.05 56.61 1nbl n THR 36 Cb 0.52 -1.26 0.27 0.00 -2.10 0.00 0.00 70.33 67.76 1nbl n THR 36 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1nbl n THR 37 N -0.51 0.00 0.12 4.28 -2.24 -1.26 -4.98 114.28 109.69 1nbl n THR 37 Ca 0.41 -0.33 -0.13 0.00 -2.27 0.00 0.00 64.05 61.74 1nbl n THR 37 Cb 0.62 -1.16 -0.06 0.00 -2.10 0.00 0.00 70.33 67.63 1nbl n THR 37 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1nbl h THR 38 N -3.06 0.33 -2.07 4.28 1.35 -2.06 -3.49 112.91 108.19 1nbl h THR 38 Ca -0.41 0.00 0.22 0.00 -0.55 0.00 0.00 66.41 65.67 1nbl h THR 38 Cb 1.30 0.33 -0.10 0.00 -1.73 0.00 0.00 68.15 67.96 1nbl h THR 38 CO 0.26 0.00 0.59 -0.89 -0.25 0.00 0.00 175.52 175.23 1nbl s THR 39 N -6.02 0.00 -0.10 6.82 2.01 -1.26 -5.13 115.64 111.96 1nbl s THR 39 Ca -0.16 -0.50 -0.31 0.00 0.31 0.00 0.00 61.69 61.03 1nbl s THR 39 Cb 0.08 -1.94 -0.09 0.00 0.01 0.00 0.00 72.50 70.56 1nbl s THR 39 CO 0.65 0.00 2.04 0.00 -0.69 0.00 0.00 174.62 176.61 1nbl s PRO 41 N 5.01 0.58 0.40 0.00 0.04 -1.17 -4.67 135.00 135.19 1nbl s PRO 41 Ca 0.95 0.14 0.12 0.00 0.04 0.00 0.00 61.00 62.25 1nbl s PRO 41 Cb -0.51 -1.79 0.92 0.00 0.04 0.00 0.00 34.50 33.16 1nbl s PRO 41 CO 0.44 -2.55 1.92 0.77 0.04 0.00 0.00 177.00 177.62 1nbl h SER 42 N -1.75 0.51 0.19 6.66 0.02 -1.95 -1.74 113.55 115.50 1nbl h SER 42 Ca -0.49 0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.42 1nbl h SER 42 Cb 1.31 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 1nbl h SER 42 CO 0.53 0.29 -0.26 0.28 -1.14 0.00 0.00 176.83 176.53 1nbl h SER 43 N 0.56 0.12 -1.65 3.07 0.02 -1.98 -3.39 113.55 110.30 1nbl h SER 43 Ca 0.37 -0.03 -0.37 0.00 -0.84 0.00 0.00 61.79 60.91 1nbl h SER 43 Cb 0.65 -0.03 -0.27 0.00 0.14 0.00 0.00 62.40 62.89 1nbl h SER 43 CO -0.13 0.38 -0.74 1.41 -1.14 0.00 0.00 176.83 176.61 1nbl n HIS 44 N -4.19 -2.37 -0.07 3.45 8.25 -0.77 -4.73 115.22 114.80 1nbl n HIS 44 Ca -0.02 -2.35 -0.03 0.00 -0.26 0.00 0.00 57.72 55.07 1nbl n HIS 44 Cb 0.34 0.86 0.21 0.00 1.12 0.00 0.00 29.99 32.52 1nbl n HIS 44 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1nbl h PRO 45 N 5.26 0.70 -0.00 -0.41 0.13 -0.70 -3.09 132.00 133.88 1nbl h PRO 45 Ca 0.16 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1nbl h PRO 45 Cb 1.01 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1nbl h PRO 45 CO 0.20 0.71 0.00 0.45 -0.23 0.00 0.00 178.00 179.13