#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 1.23 0.11 3.14 0.01 -1.26 -0.78 113.70 116.15 1nbl s SER 2 Ca 0.00 0.02 0.10 0.00 1.31 0.00 0.00 55.95 57.38 1nbl s SER 2 Cb 0.00 0.10 -0.04 0.00 0.21 0.00 0.00 66.02 66.29 1nbl s SER 2 CO 0.00 -0.28 -0.23 0.00 0.41 0.00 0.00 173.24 173.15 1nbl h ARG 5 N 2.00 0.00 -1.79 0.00 9.65 -1.81 0.22 114.38 122.64 1nbl h ARG 5 Ca -0.48 0.00 0.26 0.00 -1.10 0.00 0.00 59.98 58.65 1nbl h ARG 5 Cb 1.21 0.00 -0.12 0.00 -1.39 0.00 0.00 29.97 29.68 1nbl h ARG 5 CO 0.63 0.09 0.69 0.54 2.80 0.00 0.00 179.97 184.72 1nbl s ASN 6 N -5.92 -0.12 0.52 -3.80 6.03 -1.26 -4.43 114.94 105.97 1nbl s ASN 6 Ca -0.02 -0.20 0.25 0.00 -1.03 0.00 0.00 52.86 51.85 1nbl s ASN 6 Cb 0.12 0.28 1.45 0.00 -3.03 0.00 0.00 41.25 40.07 1nbl s ASN 6 CO 0.55 -0.51 2.11 0.74 -2.03 0.00 0.00 177.10 177.96 1nbl h THR 7 N 2.00 0.69 -0.21 0.54 2.02 -1.89 0.21 112.91 116.26 1nbl h THR 7 Ca -0.26 -0.39 0.05 0.00 0.77 0.00 0.00 66.41 66.58 1nbl h THR 7 Cb 1.21 1.24 -0.05 0.00 -1.74 0.00 0.00 68.15 68.81 1nbl h THR 7 CO 0.27 0.10 -0.11 0.25 0.37 0.00 0.00 175.52 176.39 1nbl h LEU 8 N 0.00 -0.38 -0.36 2.58 6.46 -1.98 0.52 115.31 122.15 1nbl h LEU 8 Ca -0.00 0.09 -0.19 0.00 -0.12 0.00 0.00 57.88 57.66 1nbl h LEU 8 Cb 0.23 0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 40.37 1nbl h LEU 8 CO 0.01 -0.15 -0.69 0.00 -0.62 0.00 0.00 178.44 177.00 1nbl h ALA 9 N 1.08 0.54 -0.92 1.25 0.00 -1.11 -0.18 119.26 119.93 1nbl h ALA 9 Ca 0.12 -0.58 0.07 0.00 0.00 0.00 0.00 54.91 54.52 1nbl h ALA 9 Cb 0.27 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 1nbl h ALA 9 CO -0.27 0.72 0.58 -0.09 0.00 0.00 0.00 179.25 180.18 1nbl h ARG 10 N 0.40 1.01 0.10 0.00 9.65 -0.77 0.37 114.38 125.14 1nbl h ARG 10 Ca -0.02 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1nbl h ARG 10 Cb 1.27 -0.23 0.00 0.00 -1.39 0.00 0.00 29.97 29.62 1nbl h ARG 10 CO 0.13 0.67 -0.05 -0.91 2.80 0.00 0.00 179.97 182.61 1nbl h ASN 11 N 1.04 -0.11 -0.86 -3.80 2.35 -0.39 0.39 115.58 114.20 1nbl h ASN 11 Ca 0.41 -0.35 0.21 0.00 -0.55 0.00 0.00 56.30 56.02 1nbl h ASN 11 Cb 0.20 0.03 -0.13 0.00 0.05 0.00 0.00 38.32 38.48 1nbl h ASN 11 CO -0.18 0.31 0.30 0.00 -1.65 0.00 0.00 177.43 176.21 1nbl h TYR 13 N 0.31 0.19 0.00 0.00 5.03 -0.10 0.50 116.97 122.91 1nbl h TYR 13 Ca 0.53 -0.06 -0.05 0.00 2.58 0.00 0.00 58.73 61.73 1nbl h TYR 13 Cb 1.02 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 39.25 1nbl h TYR 13 CO -0.20 0.64 -0.22 -0.91 -1.32 0.00 0.00 178.16 176.15 1nbl h ASN 14 N -0.31 0.00 -0.01 -2.11 2.35 -0.77 -0.35 115.58 114.39 1nbl h ASN 14 Ca 0.01 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.55 1nbl h ASN 14 Cb 0.61 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.00 1nbl h ASN 14 CO 0.02 0.22 -0.81 0.00 -1.65 0.00 0.00 177.43 175.21 1nbl h ALA 15 N 1.78 0.11 -0.42 -0.83 0.00 -0.63 -1.55 119.26 117.72 1nbl h ALA 15 Ca -0.00 -0.63 -0.04 0.00 0.00 0.00 0.00 54.91 54.24 1nbl h ALA 15 Cb 0.39 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1nbl h ALA 15 CO 0.03 0.52 0.07 0.00 0.00 0.00 0.00 179.25 179.87 1nbl h ARG 17 N 0.61 0.53 0.48 0.00 9.65 -1.06 -1.89 114.38 122.71 1nbl h ARG 17 Ca 0.14 -0.14 -0.02 0.00 -1.10 0.00 0.00 59.98 58.85 1nbl h ARG 17 Cb 0.28 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.80 1nbl h ARG 17 CO 0.00 0.63 -0.23 0.35 2.80 0.00 0.00 179.97 183.52 1nbl h PHE 18 N 0.50 -0.60 0.00 2.20 3.04 -0.64 -3.32 116.94 118.11 1nbl h PHE 18 Ca 0.10 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.03 1nbl h PHE 18 Cb 0.46 0.20 0.00 0.00 2.56 0.00 0.00 35.95 39.17 1nbl h PHE 18 CO 0.02 -0.35 0.00 0.25 -2.02 0.00 0.00 178.31 176.21 1nbl n THR 19 N -5.35 0.00 0.00 4.41 -2.24 0.25 -4.80 114.28 106.55 1nbl n THR 19 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1nbl n THR 19 Cb 0.28 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 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 -0.58 2.81 3.51 3.38 0.00 -1.14 -4.97 105.19 108.21 1nbl n GLY 20 Ca 0.04 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.52 1nbl n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nbl n GLY 21 N -1.97 0.57 3.58 -0.02 0.00 -0.92 -4.91 105.19 101.51 1nbl n GLY 21 Ca 0.00 0.96 -0.30 0.00 0.00 0.00 0.00 46.02 46.68 1nbl n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nbl s SER 22 N 5.80 1.89 0.25 1.61 0.01 -1.26 -3.65 113.70 118.34 1nbl s SER 22 Ca 1.07 1.81 -0.05 0.00 1.31 0.00 0.00 55.95 60.09 1nbl s SER 22 Cb -1.01 -2.42 0.36 0.00 0.21 0.00 0.00 66.02 63.16 1nbl s SER 22 CO 0.57 -3.69 1.85 1.56 0.41 0.00 0.00 173.24 173.94 1nbl h GLN 23 N -2.27 0.93 0.62 12.44 4.20 -1.93 0.80 115.11 129.90 1nbl h GLN 23 Ca -0.53 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.09 1nbl h GLN 23 Cb 1.30 -0.21 0.01 0.00 0.30 0.00 0.00 27.48 28.88 1nbl h GLN 23 CO 0.47 0.62 -0.30 -1.35 -0.67 0.00 0.00 178.83 177.60 1nbl h PRO 24 N 0.96 -0.80 -0.89 1.46 0.11 -1.98 -2.05 132.00 128.81 1nbl h PRO 24 Ca 0.39 0.05 0.20 0.00 0.11 0.00 0.00 66.00 66.75 1nbl h PRO 24 Cb 0.21 0.18 -0.07 0.00 0.11 0.00 0.00 31.00 31.44 1nbl h PRO 24 CO -0.19 -0.53 0.59 1.15 -0.21 0.00 0.00 178.00 178.81 1nbl h THR 25 N -0.84 0.69 0.40 -1.15 2.02 -1.67 0.45 112.91 112.81 1nbl h THR 25 Ca -0.09 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 1nbl h THR 25 Cb 0.64 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1nbl h THR 25 CO 0.14 0.08 -0.19 0.00 0.37 0.00 0.00 175.52 175.91 1nbl h GLY 27 N -0.98 0.00 0.00 0.00 0.00 -0.55 -0.71 103.07 100.82 1nbl h GLY 27 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1nbl h GLY 27 CO 0.09 0.00 -0.25 -2.22 0.00 0.00 0.00 176.54 174.16 1nbl h ILE 28 N 0.00 0.00 -0.61 2.60 2.04 -0.03 0.26 117.51 121.76 1nbl h ILE 28 Ca 0.00 -0.68 -0.05 0.00 1.00 0.00 0.00 64.86 65.12 1nbl h ILE 28 Cb 0.17 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.23 1nbl h ILE 28 CO 0.00 0.00 0.17 -0.07 0.00 0.00 0.00 178.15 178.25 1nbl h LEU 29 N -0.68 0.91 -0.13 1.44 3.38 -0.67 -0.65 115.31 118.91 1nbl h LEU 29 Ca 0.00 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1nbl h LEU 29 Cb 0.25 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1nbl h LEU 29 CO 0.00 0.89 -0.14 0.00 0.09 0.00 0.00 178.44 179.28 1nbl n ASP 31 N -1.18 -3.18 -4.90 0.00 8.00 -0.25 -4.59 116.55 110.45 1nbl n ASP 31 Ca 0.11 -0.65 -0.33 0.00 0.71 0.00 0.00 54.79 54.63 1nbl n ASP 31 Cb 0.30 -4.83 -0.05 0.00 -0.02 0.00 0.00 41.12 36.52 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 0.93 0.00 -3.68 0.00 -5.35 -0.65 -4.25 119.36 106.36 1nbl n ILE 33 Ca -0.10 0.00 -0.23 0.00 -0.27 0.00 0.00 62.75 62.15 1nbl n ILE 33 Cb 0.53 -0.07 -0.17 0.00 -1.74 0.00 0.00 39.64 38.18 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 1.13 0.29 0.05 4.28 5.65 -1.26 -3.81 115.29 121.62 1nbl s HIS 34 Ca 0.00 -0.08 0.00 0.00 0.25 0.00 0.00 55.06 55.23 1nbl s HIS 34 Cb 0.00 -0.64 -0.04 0.00 -1.18 0.00 0.00 32.58 30.72 1nbl s HIS 34 CO 0.00 -0.34 0.18 0.14 -0.65 0.00 0.00 174.74 174.07 1nbl s VAL 35 N 2.10 5.23 -0.51 0.89 -7.23 0.04 -4.96 120.40 115.96 1nbl s VAL 35 Ca 0.04 -0.42 0.04 0.00 -1.81 0.00 0.00 61.98 59.82 1nbl s VAL 35 Cb -0.14 -3.53 0.41 0.00 0.56 0.00 0.00 36.38 33.69 1nbl s VAL 35 CO -0.06 0.17 1.29 0.35 -0.31 0.00 0.00 175.10 176.55 1nbl n THR 36 N 0.44 2.61 -0.82 5.32 -2.24 -1.26 -3.30 114.28 115.04 1nbl n THR 36 Ca -0.07 -4.76 -0.29 0.00 -2.27 0.00 0.00 64.05 56.66 1nbl n THR 36 Cb 0.51 -1.26 0.25 0.00 -2.10 0.00 0.00 70.33 67.74 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 0.13 4.28 -2.24 -1.26 -4.98 114.28 109.71 1nbl n THR 37 Ca 0.42 -0.34 -0.15 0.00 -2.27 0.00 0.00 64.05 61.71 1nbl n THR 37 Cb 0.60 -1.16 -0.07 0.00 -2.10 0.00 0.00 70.33 67.60 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 -2.94 0.18 -2.11 4.28 1.35 -2.06 -3.49 112.91 108.12 1nbl h THR 38 Ca -0.39 0.00 0.22 0.00 -0.55 0.00 0.00 66.41 65.69 1nbl h THR 38 Cb 1.24 0.18 -0.09 0.00 -1.73 0.00 0.00 68.15 67.75 1nbl h THR 38 CO 0.25 0.00 0.59 -0.89 -0.25 0.00 0.00 175.52 175.23 1nbl s THR 39 N -5.93 0.00 -0.30 6.82 2.01 -1.26 -5.14 115.64 111.84 1nbl s THR 39 Ca -0.16 -0.53 -0.42 0.00 0.31 0.00 0.00 61.69 60.89 1nbl s THR 39 Cb 0.07 -2.09 -0.17 0.00 0.01 0.00 0.00 72.50 70.32 1nbl s THR 39 CO 0.63 0.00 1.65 0.00 -0.69 0.00 0.00 174.62 176.21 1nbl s PRO 41 N 3.02 0.38 0.35 0.00 0.04 -1.05 -4.79 135.00 132.95 1nbl s PRO 41 Ca 0.99 0.03 0.07 0.00 0.04 0.00 0.00 61.00 62.13 1nbl s PRO 41 Cb -1.19 -1.77 0.75 0.00 0.04 0.00 0.00 34.50 32.33 1nbl s PRO 41 CO 0.68 -2.66 1.92 0.77 0.04 0.00 0.00 177.00 177.75 1nbl h SER 42 N -1.83 0.68 1.10 6.66 0.02 -1.98 -2.65 113.55 115.55 1nbl h SER 42 Ca -0.48 0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.39 1nbl h SER 42 Cb 1.30 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 1nbl h SER 42 CO 0.49 0.40 -0.50 -1.28 -1.14 0.00 0.00 176.83 174.80 1nbl h SER 43 N 0.75 0.00 -2.41 3.07 0.87 -1.97 -3.40 113.55 110.46 1nbl h SER 43 Ca 0.38 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.40 1nbl h SER 43 Cb 0.45 0.00 -0.37 0.00 -0.44 0.00 0.00 62.40 62.04 1nbl h SER 43 CO -0.15 0.50 -0.83 -1.00 -0.53 0.00 0.00 176.83 174.82 1nbl s HIS 44 N -3.26 0.52 0.10 2.24 3.76 -1.02 -4.62 115.29 113.01 1nbl s HIS 44 Ca 0.02 -1.53 -0.02 0.00 -0.15 0.00 0.00 55.06 53.38 1nbl s HIS 44 Cb 0.10 -0.79 -0.20 0.00 1.11 0.00 0.00 32.58 32.80 1nbl s HIS 44 CO 0.73 -0.86 1.22 -1.00 -0.85 0.00 0.00 174.74 173.97 1nbl h PRO 45 N 6.83 0.25 -0.01 8.40 0.13 -1.14 -2.79 132.00 143.68 1nbl h PRO 45 Ca 0.08 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1nbl h PRO 45 Cb 0.98 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1nbl h PRO 45 CO 0.26 1.13 0.00 0.45 -0.23 0.00 0.00 178.00 179.61