#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 1.15 -0.07 3.14 1.04 -1.26 -2.79 113.70 114.91 1nbl s SER 2 Ca 0.00 -0.46 -0.04 0.00 0.48 0.00 0.00 55.95 55.94 1nbl s SER 2 Cb 0.00 0.71 -0.04 0.00 0.10 0.00 0.00 66.02 66.79 1nbl s SER 2 CO 0.00 -0.36 0.10 0.00 0.98 0.00 0.00 173.24 173.96 1nbl h ARG 5 N 2.42 0.00 -1.55 0.00 9.65 -1.81 0.31 114.38 123.40 1nbl h ARG 5 Ca -0.48 0.00 0.29 0.00 -1.10 0.00 0.00 59.98 58.69 1nbl h ARG 5 Cb 1.19 0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 29.64 1nbl h ARG 5 CO 0.66 0.02 0.79 0.54 2.80 0.00 0.00 179.97 184.78 1nbl s ASN 6 N -5.62 -0.10 0.62 -3.80 6.03 -1.26 -4.38 114.94 106.44 1nbl s ASN 6 Ca -0.04 -0.12 0.37 0.00 -1.03 0.00 0.00 52.86 52.04 1nbl s ASN 6 Cb 0.13 0.19 2.09 0.00 -3.03 0.00 0.00 41.25 40.63 1nbl s ASN 6 CO 0.49 -0.34 2.30 0.74 -2.03 0.00 0.00 177.10 178.26 1nbl h THR 7 N 2.00 0.28 -0.19 0.54 2.02 -1.88 0.31 112.91 115.98 1nbl h THR 7 Ca -0.24 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1nbl h THR 7 Cb 1.20 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 1nbl h THR 7 CO 0.27 0.00 0.10 0.25 0.37 0.00 0.00 175.52 176.51 1nbl h LEU 8 N 0.00 0.25 -0.39 2.58 6.46 -1.98 -0.14 115.31 122.09 1nbl h LEU 8 Ca -0.00 -0.11 -0.18 0.00 -0.12 0.00 0.00 57.88 57.47 1nbl h LEU 8 Cb 0.02 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 39.88 1nbl h LEU 8 CO 0.00 0.29 -0.63 0.00 -0.62 0.00 0.00 178.44 177.48 1nbl h ALA 9 N 0.97 0.57 -0.84 1.25 0.00 -0.86 -0.03 119.26 120.31 1nbl h ALA 9 Ca 0.07 -0.55 0.08 0.00 0.00 0.00 0.00 54.91 54.51 1nbl h ALA 9 Cb 0.10 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 1nbl h ALA 9 CO -0.01 0.70 0.50 -0.09 0.00 0.00 0.00 179.25 180.35 1nbl h ARG 10 N 0.46 0.84 0.11 0.00 9.65 -0.81 0.36 114.38 124.99 1nbl h ARG 10 Ca -0.01 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.81 1nbl h ARG 10 Cb 1.21 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.60 1nbl h ARG 10 CO 0.12 0.56 -0.06 -0.91 2.80 0.00 0.00 179.97 182.48 1nbl h ASN 11 N 0.87 -0.13 -0.88 -3.80 2.35 -0.50 0.96 115.58 114.44 1nbl h ASN 11 Ca 0.39 -0.33 0.22 0.00 -0.55 0.00 0.00 56.30 56.03 1nbl h ASN 11 Cb 0.28 0.03 -0.13 0.00 0.05 0.00 0.00 38.32 38.56 1nbl h ASN 11 CO -0.22 0.28 0.34 0.00 -1.65 0.00 0.00 177.43 176.19 1nbl h TYR 13 N 0.34 0.47 -0.11 0.00 5.03 -0.06 0.46 116.97 123.09 1nbl h TYR 13 Ca 0.55 -0.15 -0.05 0.00 2.58 0.00 0.00 58.73 61.65 1nbl h TYR 13 Cb 1.07 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 39.24 1nbl h TYR 13 CO -0.17 0.81 -0.18 -0.91 -1.32 0.00 0.00 178.16 176.39 1nbl h ASN 14 N -0.01 0.18 -0.05 -2.11 2.35 -0.61 -0.94 115.58 114.39 1nbl h ASN 14 Ca 0.02 -0.04 -0.16 0.00 -0.55 0.00 0.00 56.30 55.57 1nbl h ASN 14 Cb 0.75 -0.05 0.01 0.00 0.05 0.00 0.00 38.32 39.09 1nbl h ASN 14 CO 0.05 0.37 -0.59 0.00 -1.65 0.00 0.00 177.43 175.61 1nbl h ALA 15 N 1.65 0.13 -0.44 -0.83 0.00 -0.65 -0.87 119.26 118.25 1nbl h ALA 15 Ca 0.03 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 1nbl h ALA 15 Cb 0.43 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1nbl h ALA 15 CO 0.03 0.39 0.14 0.00 0.00 0.00 0.00 179.25 179.81 1nbl h ARG 17 N 0.63 0.31 0.28 0.00 9.65 -1.13 -1.43 114.38 122.69 1nbl h ARG 17 Ca 0.15 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1nbl h ARG 17 Cb 0.18 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.73 1nbl h ARG 17 CO -0.01 0.62 -0.28 0.35 2.80 0.00 0.00 179.97 183.45 1nbl h PHE 18 N 0.27 -0.74 -2.95 2.20 3.04 -0.46 -3.45 116.94 114.85 1nbl h PHE 18 Ca 0.03 0.00 -0.35 0.00 3.98 0.00 0.00 57.97 61.64 1nbl h PHE 18 Cb 0.73 0.29 0.19 0.00 2.56 0.00 0.00 35.95 39.72 1nbl h PHE 18 CO 0.02 -0.40 -0.05 0.25 -2.02 0.00 0.00 178.31 176.10 1nbl n THR 19 N -5.40 0.00 0.89 4.41 -2.24 0.17 -4.89 114.28 107.22 1nbl n THR 19 Ca -0.09 -0.18 -0.01 0.00 -2.27 0.00 0.00 64.05 61.50 1nbl n THR 19 Cb 0.30 -1.04 0.01 0.00 -2.10 0.00 0.00 70.33 67.51 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 -4.86 1.92 3.52 3.38 0.00 -1.26 -4.70 105.19 103.17 1nbl n GLY 20 Ca 0.13 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 0.51 1.97 1.14 -0.02 0.00 -1.15 -5.09 107.32 104.68 1nbl s GLY 21 Ca 0.03 -1.43 -0.13 0.00 0.00 0.00 0.00 44.72 43.19 1nbl s GLY 21 CO 0.01 0.79 1.04 -0.56 0.00 0.00 0.00 173.10 174.38 1nbl s SER 22 N 1.71 1.25 0.20 1.64 0.01 -1.26 -3.56 113.70 113.69 1nbl s SER 22 Ca 0.06 1.37 -0.11 0.00 1.31 0.00 0.00 55.95 58.58 1nbl s SER 22 Cb -0.18 -2.13 0.14 0.00 0.21 0.00 0.00 66.02 64.06 1nbl s SER 22 CO 0.10 -4.01 1.85 1.56 0.41 0.00 0.00 173.24 173.15 1nbl h GLN 23 N -2.49 0.96 0.03 12.44 4.20 -1.95 0.17 115.11 128.47 1nbl h GLN 23 Ca -0.60 -0.08 0.03 0.00 0.06 0.00 0.00 58.65 58.05 1nbl h GLN 23 Cb 1.34 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 28.88 1nbl h GLN 23 CO 0.53 0.67 -0.22 -1.35 -0.67 0.00 0.00 178.83 177.79 1nbl h PRO 24 N 0.97 -0.35 -0.96 1.46 0.11 -1.98 -0.65 132.00 130.61 1nbl h PRO 24 Ca 0.26 0.02 0.14 0.00 0.11 0.00 0.00 66.00 66.53 1nbl h PRO 24 Cb -0.06 0.08 -0.09 0.00 0.11 0.00 0.00 31.00 31.04 1nbl h PRO 24 CO -0.05 -0.23 0.58 1.15 -0.21 0.00 0.00 178.00 179.24 1nbl h THR 25 N -0.36 0.85 0.07 -1.15 2.02 -1.73 0.20 112.91 112.80 1nbl h THR 25 Ca 0.05 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 1nbl h THR 25 Cb 0.42 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1nbl h THR 25 CO -0.17 0.16 -0.04 0.00 0.37 0.00 0.00 175.52 175.84 1nbl h GLY 27 N -0.37 0.00 0.03 0.00 0.00 -0.75 -0.19 103.07 101.78 1nbl h GLY 27 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1nbl h GLY 27 CO 0.02 0.00 -0.01 -2.22 0.00 0.00 0.00 176.54 174.32 1nbl h ILE 28 N 0.00 0.00 -0.67 2.60 2.04 -0.24 0.40 117.51 121.65 1nbl h ILE 28 Ca -0.00 -0.69 -0.05 0.00 1.00 0.00 0.00 64.86 65.12 1nbl h ILE 28 Cb 0.20 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.25 1nbl h ILE 28 CO 0.00 0.00 0.23 0.25 0.00 0.00 0.00 178.15 178.63 1nbl h LEU 29 N -0.73 0.96 -0.57 1.44 5.85 -0.44 -0.71 115.31 121.10 1nbl h LEU 29 Ca -0.00 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.52 1nbl h LEU 29 Cb 0.03 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.81 1nbl h LEU 29 CO 0.01 0.90 -0.21 0.00 -0.34 0.00 0.00 178.44 178.80 1nbl n ASP 31 N -0.51 -3.35 -4.79 0.00 8.00 -0.28 -4.61 116.55 111.02 1nbl n ASP 31 Ca 0.13 -0.66 -0.34 0.00 0.71 0.00 0.00 54.79 54.63 1nbl n ASP 31 Cb 0.35 -5.06 -0.07 0.00 -0.02 0.00 0.00 41.12 36.32 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 1.38 0.00 -3.67 0.00 -5.35 -0.50 -4.24 119.36 106.98 1nbl n ILE 33 Ca -0.14 0.00 -0.17 0.00 -0.27 0.00 0.00 62.75 62.17 1nbl n ILE 33 Cb 0.53 -0.25 -0.16 0.00 -1.74 0.00 0.00 39.64 38.02 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 1.49 -0.17 0.14 4.28 5.65 -1.26 -3.86 115.29 121.56 1nbl s HIS 34 Ca 0.00 0.60 0.06 0.00 0.25 0.00 0.00 55.06 55.97 1nbl s HIS 34 Cb 0.00 -0.26 -0.04 0.00 -1.18 0.00 0.00 32.58 31.10 1nbl s HIS 34 CO 0.00 -0.27 0.02 0.14 -0.65 0.00 0.00 174.74 173.99 1nbl s VAL 35 N 2.26 3.97 -2.25 0.89 -7.23 -1.12 -4.99 120.40 111.93 1nbl s VAL 35 Ca 0.03 -1.20 0.24 0.00 -1.81 0.00 0.00 61.98 59.24 1nbl s VAL 35 Cb -0.12 -2.96 0.16 0.00 0.56 0.00 0.00 36.38 34.02 1nbl s VAL 35 CO -0.06 -0.02 1.30 0.35 -0.31 0.00 0.00 175.10 176.36 1nbl n THR 36 N 0.10 0.00 -1.55 5.32 -2.24 -1.26 -3.74 114.28 110.91 1nbl n THR 36 Ca -0.10 -0.29 0.05 0.00 -2.27 0.00 0.00 64.05 61.45 1nbl n THR 36 Cb 0.54 1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 69.78 1nbl n THR 36 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1nbl n THR 37 N 0.18 -2.29 -0.03 4.28 5.66 -1.26 -4.96 114.28 115.86 1nbl n THR 37 Ca 0.12 1.29 0.03 0.00 -3.05 0.00 0.00 64.05 62.44 1nbl n THR 37 Cb 0.46 -2.10 -0.11 0.00 -1.55 0.00 0.00 70.33 67.03 1nbl n THR 37 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1nbl n THR 38 N -3.13 0.29 -3.98 1.09 -1.04 -1.26 -5.10 114.28 101.14 1nbl n THR 38 Ca -0.03 -0.41 0.02 0.00 -2.04 0.00 0.00 64.05 61.59 1nbl n THR 38 Cb 0.54 -0.08 0.01 0.00 -1.82 0.00 0.00 70.33 68.98 1nbl n THR 38 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1nbl n THR 39 N -2.16 0.00 -2.31 12.58 -1.04 -1.26 -5.15 114.28 114.93 1nbl n THR 39 Ca -0.09 -0.22 -0.41 0.00 -2.04 0.00 0.00 64.05 61.29 1nbl n THR 39 Cb 0.55 0.59 -0.03 0.00 -1.82 0.00 0.00 70.33 69.62 1nbl n THR 39 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nbl s PRO 41 N -0.70 1.48 0.39 0.00 0.04 -1.24 -4.89 135.00 130.08 1nbl s PRO 41 Ca 0.51 0.06 0.10 0.00 0.04 0.00 0.00 61.00 61.71 1nbl s PRO 41 Cb -0.35 -1.90 0.81 0.00 0.04 0.00 0.00 34.50 33.10 1nbl s PRO 41 CO 0.41 -1.92 1.93 1.03 0.04 0.00 0.00 177.00 178.49 1nbl h SER 42 N -1.29 0.23 0.11 6.66 0.87 -1.96 -2.68 113.55 115.48 1nbl h SER 42 Ca -0.47 -0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.02 1nbl h SER 42 Cb 1.31 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.21 1nbl h SER 42 CO 0.60 0.36 -0.12 0.28 -0.53 0.00 0.00 176.83 177.41 1nbl h SER 43 N 0.23 0.04 -1.92 6.23 0.02 -1.97 -3.37 113.55 112.81 1nbl h SER 43 Ca 0.05 -0.01 -0.44 0.00 -0.84 0.00 0.00 61.79 60.55 1nbl h SER 43 Cb 0.33 -0.01 -0.31 0.00 0.14 0.00 0.00 62.40 62.55 1nbl h SER 43 CO 0.02 0.17 -0.81 -1.00 -1.14 0.00 0.00 176.83 174.07 1nbl s HIS 44 N -4.77 0.16 0.24 3.45 3.76 -1.05 -4.69 115.29 112.39 1nbl s HIS 44 Ca -0.04 -1.69 -0.01 0.00 -0.15 0.00 0.00 55.06 53.16 1nbl s HIS 44 Cb 0.16 -0.50 0.26 0.00 1.11 0.00 0.00 32.58 33.61 1nbl s HIS 44 CO 0.70 -0.98 1.63 -1.00 -0.85 0.00 0.00 174.74 174.24 1nbl h PRO 45 N 5.53 0.57 -0.01 8.40 0.13 -1.06 -3.29 132.00 142.27 1nbl h PRO 45 Ca 0.19 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1nbl h PRO 45 Cb 0.98 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1nbl h PRO 45 CO 0.25 0.84 0.00 0.45 -0.23 0.00 0.00 178.00 179.30