#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 -0.09 -0.00 3.14 0.01 -1.26 -0.41 113.70 115.09 1nbl s SER 2 Ca 0.00 0.24 0.03 0.00 1.31 0.00 0.00 55.95 57.53 1nbl s SER 2 Cb 0.00 0.16 -0.01 0.00 0.21 0.00 0.00 66.02 66.38 1nbl s SER 2 CO 0.00 -0.11 -0.10 0.00 0.41 0.00 0.00 173.24 173.43 1nbl n ARG 5 N 0.82 0.61 -3.79 0.00 1.85 -1.25 -0.28 116.66 114.63 1nbl n ARG 5 Ca -0.13 0.02 -0.04 0.00 -1.00 0.00 0.00 57.85 56.71 1nbl n ARG 5 Cb 0.52 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 30.43 1nbl n ARG 5 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1nbl s ASN 6 N -2.19 -0.13 0.45 2.89 2.20 -1.26 -4.52 114.94 112.38 1nbl s ASN 6 Ca 0.31 -0.50 0.22 0.00 -0.94 0.00 0.00 52.86 51.95 1nbl s ASN 6 Cb 0.16 0.51 1.08 0.00 -2.00 0.00 0.00 41.25 41.00 1nbl s ASN 6 CO 0.30 -0.97 1.93 0.74 -2.94 0.00 0.00 177.10 176.16 1nbl h THR 7 N 2.00 0.78 -0.20 0.54 2.02 -1.96 0.18 112.91 116.26 1nbl h THR 7 Ca -0.25 -0.94 0.05 0.00 0.77 0.00 0.00 66.41 66.04 1nbl h THR 7 Cb 1.23 1.57 -0.05 0.00 -1.74 0.00 0.00 68.15 69.17 1nbl h THR 7 CO 0.28 0.23 -0.09 0.25 0.37 0.00 0.00 175.52 176.56 1nbl h LEU 8 N 0.00 -0.31 -0.24 2.58 6.46 -1.98 0.04 115.31 121.87 1nbl h LEU 8 Ca -0.00 0.08 -0.21 0.00 -0.12 0.00 0.00 57.88 57.62 1nbl h LEU 8 Cb 0.55 0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.66 1nbl h LEU 8 CO 0.03 -0.12 -0.80 0.00 -0.62 0.00 0.00 178.44 176.93 1nbl h ALA 9 N 1.12 0.40 -0.83 1.25 0.00 -1.42 -0.56 119.26 119.22 1nbl h ALA 9 Ca 0.11 -0.62 0.16 0.00 0.00 0.00 0.00 54.91 54.55 1nbl h ALA 9 Cb 0.23 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.89 1nbl h ALA 9 CO -0.25 0.73 0.39 -0.09 0.00 0.00 0.00 179.25 180.03 1nbl h ARG 10 N 0.40 0.53 0.09 0.00 9.65 -0.79 0.37 114.38 124.63 1nbl h ARG 10 Ca -0.05 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1nbl h ARG 10 Cb 1.41 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.87 1nbl h ARG 10 CO 0.15 0.35 -0.04 -0.91 2.80 0.00 0.00 179.97 182.32 1nbl h ASN 11 N 0.54 -0.10 -0.86 -3.80 2.35 -0.27 0.74 115.58 114.18 1nbl h ASN 11 Ca 0.46 -0.36 0.22 0.00 -0.55 0.00 0.00 56.30 56.07 1nbl h ASN 11 Cb 0.71 0.03 -0.14 0.00 0.05 0.00 0.00 38.32 38.97 1nbl h ASN 11 CO -0.40 0.32 0.23 0.00 -1.65 0.00 0.00 177.43 175.94 1nbl h TYR 13 N 0.23 0.35 -0.14 0.00 5.03 -0.02 0.45 116.97 122.87 1nbl h TYR 13 Ca 0.53 -0.10 -0.05 0.00 2.58 0.00 0.00 58.73 61.68 1nbl h TYR 13 Cb 1.03 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 39.23 1nbl h TYR 13 CO -0.26 0.70 -0.15 -0.91 -1.32 0.00 0.00 178.16 176.22 1nbl h ASN 14 N -0.10 0.21 -0.08 -2.11 2.35 -0.69 -0.32 115.58 114.84 1nbl h ASN 14 Ca 0.02 -0.04 -0.11 0.00 -0.55 0.00 0.00 56.30 55.62 1nbl h ASN 14 Cb 0.64 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.95 1nbl h ASN 14 CO 0.03 0.38 -0.36 0.00 -1.65 0.00 0.00 177.43 175.83 1nbl h ALA 15 N 1.64 0.16 -0.42 -0.83 0.00 -0.74 -0.36 119.26 118.70 1nbl h ALA 15 Ca 0.04 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1nbl h ALA 15 Cb 0.40 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1nbl h ALA 15 CO 0.02 0.24 0.16 0.00 0.00 0.00 0.00 179.25 179.68 1nbl h ARG 17 N 0.60 0.00 0.48 0.00 9.65 -1.02 -1.80 114.38 122.29 1nbl h ARG 17 Ca 0.15 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.00 1nbl h ARG 17 Cb 0.13 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.71 1nbl h ARG 17 CO -0.01 0.42 -0.23 0.35 2.80 0.00 0.00 179.97 183.30 1nbl h PHE 18 N 0.00 -0.60 -2.66 2.20 3.04 0.17 -3.47 116.94 115.62 1nbl h PHE 18 Ca -0.00 -0.01 -0.22 0.00 3.98 0.00 0.00 57.97 61.71 1nbl h PHE 18 Cb 0.78 0.20 0.10 0.00 2.56 0.00 0.00 35.95 39.59 1nbl h PHE 18 CO 0.00 -0.37 0.11 0.25 -2.02 0.00 0.00 178.31 176.28 1nbl n THR 19 N -5.37 0.00 0.81 4.41 -2.24 0.28 -4.91 114.28 107.27 1nbl n THR 19 Ca -0.12 -0.34 -0.01 0.00 -2.27 0.00 0.00 64.05 61.31 1nbl n THR 19 Cb 0.27 -1.30 0.02 0.00 -2.10 0.00 0.00 70.33 67.22 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 -0.97 2.04 3.51 3.38 0.00 -1.26 -4.72 105.19 107.16 1nbl n GLY 20 Ca 0.09 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 0.54 1.91 1.18 -0.02 0.00 -1.18 -5.08 107.32 104.67 1nbl s GLY 21 Ca 0.05 -1.38 -0.13 0.00 0.00 0.00 0.00 44.72 43.26 1nbl s GLY 21 CO 0.01 1.04 1.02 -0.56 0.00 0.00 0.00 173.10 174.61 1nbl s SER 22 N 1.76 0.79 0.17 1.64 0.01 -1.26 -3.91 113.70 112.89 1nbl s SER 22 Ca 0.11 1.54 -0.13 0.00 1.31 0.00 0.00 55.95 58.78 1nbl s SER 22 Cb -0.17 -2.33 0.07 0.00 0.21 0.00 0.00 66.02 63.80 1nbl s SER 22 CO 0.12 -4.32 1.79 1.56 0.41 0.00 0.00 173.24 172.79 1nbl h GLN 23 N -2.71 0.78 0.12 12.44 4.20 -1.98 0.33 115.11 128.29 1nbl h GLN 23 Ca -0.62 -0.09 0.02 0.00 0.06 0.00 0.00 58.65 58.02 1nbl h GLN 23 Cb 1.34 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.92 1nbl h GLN 23 CO 0.50 0.59 -0.30 -1.35 -0.67 0.00 0.00 178.83 177.60 1nbl h PRO 24 N 0.75 -0.50 -0.88 1.46 0.11 -1.98 -1.76 132.00 129.21 1nbl h PRO 24 Ca 0.20 0.03 0.19 0.00 0.11 0.00 0.00 66.00 66.53 1nbl h PRO 24 Cb 0.04 0.11 -0.06 0.00 0.11 0.00 0.00 31.00 31.20 1nbl h PRO 24 CO -0.03 -0.33 0.58 1.15 -0.21 0.00 0.00 178.00 179.15 1nbl h THR 25 N -0.52 0.70 0.45 -1.15 2.02 -1.74 0.43 112.91 113.11 1nbl h THR 25 Ca 0.03 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 1nbl h THR 25 Cb 0.55 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1nbl h THR 25 CO -0.18 0.08 -0.22 0.00 0.37 0.00 0.00 175.52 175.57 1nbl h GLY 27 N -1.01 0.00 0.00 0.00 0.00 -0.48 -0.76 103.07 100.82 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 0.10 0.00 -0.23 -2.22 0.00 0.00 0.00 176.54 174.20 1nbl h ILE 28 N 0.00 0.00 -0.53 2.60 2.04 -0.07 0.22 117.51 121.78 1nbl h ILE 28 Ca 0.00 -0.67 -0.06 0.00 1.00 0.00 0.00 64.86 65.13 1nbl h ILE 28 Cb 0.06 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.12 1nbl h ILE 28 CO 0.00 0.00 0.11 -0.07 0.00 0.00 0.00 178.15 178.19 1nbl h LEU 29 N -0.67 0.82 -0.09 1.44 3.38 -0.64 -0.54 115.31 119.00 1nbl h LEU 29 Ca 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1nbl h LEU 29 Cb 0.23 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1nbl h LEU 29 CO 0.00 0.85 -0.10 0.00 0.09 0.00 0.00 178.44 179.28 1nbl n ASP 31 N -1.22 -2.42 -5.00 0.00 8.00 -0.21 -4.64 116.55 111.06 1nbl n ASP 31 Ca 0.12 -0.69 -0.18 0.00 0.71 0.00 0.00 54.79 54.76 1nbl n ASP 31 Cb 0.29 -4.69 0.01 0.00 -0.02 0.00 0.00 41.12 36.70 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 -1.86 0.00 -3.77 0.00 -5.35 -0.31 -4.43 119.36 103.65 1nbl n ILE 33 Ca 0.07 0.00 -0.26 0.00 -0.27 0.00 0.00 62.75 62.29 1nbl n ILE 33 Cb 0.59 0.00 -0.17 0.00 -1.74 0.00 0.00 39.64 38.32 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 -1.31 0.97 -0.04 4.28 5.65 -1.26 -3.23 115.29 120.34 1nbl s HIS 34 Ca 0.00 -0.61 -0.00 0.00 0.25 0.00 0.00 55.06 54.69 1nbl s HIS 34 Cb 0.00 -0.98 -0.03 0.00 -1.18 0.00 0.00 32.58 30.39 1nbl s HIS 34 CO 0.00 -0.50 0.01 0.14 -0.65 0.00 0.00 174.74 173.74 1nbl s VAL 35 N 1.88 4.30 -0.70 0.89 -7.23 0.45 -4.95 120.40 115.04 1nbl s VAL 35 Ca 0.02 -0.40 0.02 0.00 -1.81 0.00 0.00 61.98 59.81 1nbl s VAL 35 Cb -0.15 -2.87 0.36 0.00 0.56 0.00 0.00 36.38 34.28 1nbl s VAL 35 CO -0.07 0.49 1.41 0.35 -0.31 0.00 0.00 175.10 176.97 1nbl n THR 36 N 1.74 3.67 -0.32 5.32 -2.24 -1.26 -2.25 114.28 118.94 1nbl n THR 36 Ca -0.16 -5.23 -0.13 0.00 -2.27 0.00 0.00 64.05 56.25 1nbl n THR 36 Cb 0.53 -1.36 0.12 0.00 -2.10 0.00 0.00 70.33 67.52 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 -0.33 0.00 -0.02 4.28 -2.24 -1.26 -4.97 114.28 109.74 1nbl n THR 37 Ca 0.42 -0.07 -0.05 0.00 -2.27 0.00 0.00 64.05 62.07 1nbl n THR 37 Cb 0.40 -0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 67.94 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 -2.51 0.00 -2.27 4.28 1.35 -2.06 -3.49 112.91 108.21 1nbl h THR 38 Ca -0.18 0.00 0.20 0.00 -0.55 0.00 0.00 66.41 65.88 1nbl h THR 38 Cb 0.58 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 66.93 1nbl h THR 38 CO 0.11 0.00 0.59 -0.89 -0.25 0.00 0.00 175.52 175.08 1nbl s THR 39 N -3.87 0.00 -0.22 6.82 2.01 -1.26 -5.13 115.64 113.99 1nbl s THR 39 Ca -0.05 -0.56 -0.38 0.00 0.31 0.00 0.00 61.69 61.02 1nbl s THR 39 Cb 0.02 -2.36 -0.14 0.00 0.01 0.00 0.00 72.50 70.04 1nbl s THR 39 CO 0.20 0.00 1.83 0.00 -0.69 0.00 0.00 174.62 175.96 1nbl s PRO 41 N 3.98 1.20 0.38 0.00 0.04 -1.20 -4.74 135.00 134.67 1nbl s PRO 41 Ca 0.97 0.12 0.11 0.00 0.04 0.00 0.00 61.00 62.24 1nbl s PRO 41 Cb -0.92 -1.86 0.89 0.00 0.04 0.00 0.00 34.50 32.65 1nbl s PRO 41 CO 0.60 -2.12 1.91 1.03 0.04 0.00 0.00 177.00 178.45 1nbl h SER 42 N -1.44 0.55 0.26 6.66 0.87 -1.95 -1.77 113.55 116.73 1nbl h SER 42 Ca -0.48 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.05 1nbl h SER 42 Cb 1.32 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.18 1nbl h SER 42 CO 0.58 0.30 -0.27 0.28 -0.53 0.00 0.00 176.83 177.20 1nbl h SER 43 N 0.60 0.01 -1.82 6.23 0.02 -1.99 -3.38 113.55 113.22 1nbl h SER 43 Ca 0.38 -0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 60.93 1nbl h SER 43 Cb 0.66 -0.00 -0.29 0.00 0.14 0.00 0.00 62.40 62.90 1nbl h SER 43 CO -0.15 0.28 -0.77 -1.00 -1.14 0.00 0.00 176.83 174.05 1nbl s HIS 44 N -4.44 -0.05 0.34 3.45 3.76 -0.73 -4.71 115.29 112.91 1nbl s HIS 44 Ca -0.03 -1.53 0.09 0.00 -0.15 0.00 0.00 55.06 53.43 1nbl s HIS 44 Cb 0.15 -0.41 0.61 0.00 1.11 0.00 0.00 32.58 34.05 1nbl s HIS 44 CO 0.71 -1.01 1.79 -1.00 -0.85 0.00 0.00 174.74 174.38 1nbl h PRO 45 N 5.54 0.18 -0.01 8.40 0.13 -1.13 -3.18 132.00 141.93 1nbl h PRO 45 Ca 0.17 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1nbl h PRO 45 Cb 1.00 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1nbl h PRO 45 CO 0.22 0.49 0.00 0.45 -0.23 0.00 0.00 178.00 178.93