#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jjs h LEU 6 N 0.00 -0.10 -0.16 0.00 7.12 -1.96 -3.26 115.31 116.95 1jjs h LEU 6 Ca 0.00 -0.35 -0.23 0.00 0.13 0.00 0.00 57.88 57.44 1jjs h LEU 6 Cb 0.00 0.03 0.01 0.00 -0.53 0.00 0.00 40.66 40.17 1jjs h LEU 6 CO 0.00 0.31 -0.80 0.06 -0.13 0.00 0.00 178.44 177.88 1jjs h GLN 7 N -0.53 0.78 -0.85 1.25 -0.00 -2.02 -3.29 115.11 110.46 1jjs h GLN 7 Ca -0.01 -0.65 0.10 0.00 -0.00 0.00 0.00 58.65 58.09 1jjs h GLN 7 Cb 0.44 0.14 -0.06 0.00 -0.00 0.00 0.00 27.48 28.00 1jjs h GLN 7 CO 0.02 1.25 0.55 0.38 -0.00 0.00 0.00 178.83 181.03 1jjs h ASP 8 N 0.53 0.71 -0.86 0.06 2.03 -2.01 -1.69 116.42 115.19 1jjs h ASP 8 Ca -0.06 0.02 0.07 0.00 -0.73 0.00 0.00 57.03 56.33 1jjs h ASP 8 Cb 1.43 -0.12 -0.06 0.00 -0.83 0.00 0.00 39.33 39.74 1jjs h ASP 8 CO 0.16 0.41 0.52 0.17 -1.03 0.00 0.00 179.24 179.48 1jjs h LEU 9 N 0.78 0.81 -0.88 0.15 8.10 -1.62 0.10 115.31 122.75 1jjs h LEU 9 Ca 0.40 0.02 -0.04 0.00 0.11 0.00 0.00 57.88 58.37 1jjs h LEU 9 Cb 0.48 -0.14 -0.04 0.00 -0.44 0.00 0.00 40.66 40.52 1jjs h LEU 9 CO -0.16 0.51 0.35 -0.07 -4.11 0.00 0.00 178.44 174.95 1jjs h LEU 10 N 0.94 1.06 -0.28 0.17 3.38 -1.46 0.11 115.31 119.24 1jjs h LEU 10 Ca 0.38 -0.15 -0.15 0.00 0.09 0.00 0.00 57.88 58.06 1jjs h LEU 10 Cb 0.21 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1jjs h LEU 10 CO -0.19 0.92 -0.39 0.03 0.09 0.00 0.00 178.44 178.90 1jjs h ARG 11 N 1.14 0.76 0.04 1.13 -0.00 -1.10 -0.78 114.38 115.57 1jjs h ARG 11 Ca 0.27 -0.44 -0.09 0.00 -0.50 0.00 0.00 59.98 59.21 1jjs h ARG 11 Cb 0.17 0.04 0.01 0.00 0.00 0.00 0.00 29.97 30.18 1jjs h ARG 11 CO -0.03 1.07 -0.38 0.00 0.00 0.00 0.00 179.97 180.64 1jjs h THR 12 N 0.51 1.59 -0.23 2.04 1.03 -0.68 -3.35 112.91 113.82 1jjs h THR 12 Ca 0.03 -2.21 -0.12 0.00 -0.01 0.00 0.00 66.41 64.10 1jjs h THR 12 Cb 0.98 3.02 -0.00 0.00 -1.07 0.00 0.00 68.15 71.08 1jjs h THR 12 CO 0.09 0.61 -0.34 -0.07 -0.01 0.00 0.00 175.52 175.80 1jjs h LEU 13 N -0.54 0.69 -2.48 0.00 4.07 -0.91 -3.48 115.31 112.66 1jjs h LEU 13 Ca -0.06 -0.52 -0.15 0.00 0.08 0.00 0.00 57.88 57.23 1jjs h LEU 13 Cb 1.21 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.75 1jjs h LEU 13 CO 0.07 1.07 -0.35 0.29 -1.08 0.00 0.00 178.44 178.44 1jjs n LYS 14 N -4.28 -0.49 -3.44 1.13 4.76 -0.30 -0.62 118.16 114.92 1jjs n LYS 14 Ca -0.05 0.24 -0.19 0.00 -2.87 0.00 0.00 58.31 55.45 1jjs n LYS 14 Cb 0.50 -0.69 0.03 0.00 -1.84 0.00 0.00 35.03 33.03 1jjs n LYS 14 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1jjs n SER 15 N -0.42 -6.22 0.50 4.39 7.64 -1.26 -4.93 113.62 113.32 1jjs n SER 15 Ca -0.10 -0.69 -0.20 0.00 1.01 0.00 0.00 58.87 58.89 1jjs n SER 15 Cb 0.22 -4.02 -0.10 0.00 -1.01 0.00 0.00 64.21 59.31 1jjs n SER 15 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1jjs h PRO 16 N -0.84 -1.22 -0.69 1.43 0.11 -1.23 -3.20 132.00 126.36 1jjs h PRO 16 Ca -0.46 0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1jjs h PRO 16 Cb 1.26 0.28 0.00 0.00 0.11 0.00 0.00 31.00 32.64 1jjs h PRO 16 CO 0.41 -0.81 0.00 0.45 -0.21 0.00 0.00 178.00 177.83 1jjs n SER 17 N -5.63 4.58 -4.08 -2.05 2.88 -1.26 -4.96 113.62 103.10 1jjs n SER 17 Ca -0.16 -2.33 -0.28 0.00 -1.33 0.00 0.00 58.87 54.77 1jjs n SER 17 Cb 0.50 -0.56 -0.04 0.00 -0.75 0.00 0.00 64.21 63.36 1jjs n SER 17 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1jjs n SER 18 N 1.30 -0.48 -4.69 -3.46 7.64 -1.21 -4.84 113.62 107.87 1jjs n SER 18 Ca 0.26 -1.07 -0.42 0.00 1.01 0.00 0.00 58.87 58.65 1jjs n SER 18 Cb 0.83 -2.67 -0.03 0.00 -1.01 0.00 0.00 64.21 61.32 1jjs n SER 18 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1jjs s PRO 19 N -6.80 4.18 0.00 1.43 0.04 -1.26 -5.16 135.00 127.43 1jjs s PRO 19 Ca 0.12 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.58 1jjs s PRO 19 Cb -0.07 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 30.96 1jjs s PRO 19 CO 0.92 -0.75 0.00 0.94 0.04 0.00 0.00 177.00 178.15 1jjs n GLN 20 N 5.34 0.00 0.00 4.56 7.27 -1.26 -5.14 117.38 128.15 1jjs n GLN 20 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.23 1jjs n GLN 20 Cb 0.39 -0.75 0.00 0.00 2.41 0.00 0.00 30.24 32.29 1jjs n GLN 20 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 1jjs n VAL 25 N 0.29 0.00 0.28 1.69 3.14 -1.26 -5.30 118.33 117.18 1jjs n VAL 25 Ca 0.00 0.00 0.15 0.00 -2.96 0.00 0.00 64.34 61.53 1jjs n VAL 25 Cb 0.00 0.00 0.89 0.00 -1.06 0.00 0.00 33.84 33.67 1jjs n VAL 25 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1jjs h LEU 26 N 0.00 0.00 -0.25 6.55 4.07 -2.00 -2.80 115.31 120.88 1jjs h LEU 26 Ca 0.00 0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.01 1jjs h LEU 26 Cb 0.00 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.69 1jjs h LEU 26 CO 0.00 0.00 -0.09 -1.13 -1.08 0.00 0.00 178.44 176.14 1jjs h ASN 27 N 0.00 -0.31 0.01 -0.43 -1.24 -2.03 0.93 115.58 112.50 1jjs h ASN 27 Ca 0.01 0.09 -0.17 0.00 0.71 0.00 0.00 56.30 56.94 1jjs h ASN 27 Cb 0.06 0.19 -0.00 0.00 0.73 0.00 0.00 38.32 39.30 1jjs h ASN 27 CO -0.00 -0.12 -0.59 0.40 -1.29 0.00 0.00 177.43 175.83 1jjs h ILE 28 N -0.04 1.32 -0.68 2.57 2.04 -1.96 -3.04 117.51 117.72 1jjs h ILE 28 Ca 0.13 -1.85 0.00 0.00 1.00 0.00 0.00 64.86 64.14 1jjs h ILE 28 Cb 0.23 1.82 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 1jjs h ILE 28 CO -0.28 0.58 0.43 -0.07 0.00 0.00 0.00 178.15 178.81 1jjs h LEU 29 N 0.44 0.79 -1.91 1.44 3.38 -1.11 -0.80 115.31 117.55 1jjs h LEU 29 Ca -0.00 -0.03 0.19 0.00 0.09 0.00 0.00 57.88 58.13 1jjs h LEU 29 Cb 1.15 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 1jjs h LEU 29 CO 0.11 0.59 0.50 0.07 0.09 0.00 0.00 178.44 179.80 1jjs h LYS 30 N 0.93 0.08 0.21 1.13 5.09 0.99 0.32 116.57 125.31 1jjs h LYS 30 Ca 0.25 -0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.97 1jjs h LYS 30 Cb -0.08 -0.02 0.00 0.00 0.10 0.00 0.00 32.23 32.23 1jjs h LYS 30 CO -0.05 0.05 -0.10 1.03 -2.09 0.00 0.00 179.45 178.29 1jjs h SER 31 N 0.08 -0.24 0.00 7.07 0.87 -1.24 -3.48 113.55 116.61 1jjs h SER 31 Ca 0.34 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1jjs h SER 31 Cb 1.22 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1jjs h SER 31 CO -0.03 0.02 0.00 -3.20 -0.53 0.00 0.00 176.83 173.09 1jjs n ASN 32 N -5.11 0.00 -0.01 6.23 5.15 0.11 -4.99 115.26 116.63 1jjs n ASN 32 Ca -0.09 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 53.81 1jjs n ASN 32 Cb 0.21 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.39 1jjs n ASN 32 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1jjs h PRO 33 N 2.74 -0.09 0.00 1.20 0.13 -1.85 -2.95 132.00 131.19 1jjs h PRO 33 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1jjs h PRO 33 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 1jjs h PRO 33 CO 0.00 0.37 -0.02 1.96 -0.23 0.00 0.00 178.00 180.08 1jjs h GLN 34 N -0.96 0.00 0.06 0.86 4.20 -1.94 -3.36 115.11 113.97 1jjs h GLN 34 Ca -0.01 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1jjs h GLN 34 Cb 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1jjs h GLN 34 CO 0.02 0.00 -0.03 -0.07 -0.67 0.00 0.00 178.83 178.08 1jjs h LEU 35 N -0.26 -0.06 -1.69 1.46 3.38 -1.86 -3.17 115.31 113.11 1jjs h LEU 35 Ca 0.00 -0.56 0.07 0.00 0.09 0.00 0.00 57.88 57.48 1jjs h LEU 35 Cb 0.02 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1jjs h LEU 35 CO 0.00 0.65 0.33 -0.03 0.09 0.00 0.00 178.44 179.48 1jjs h MET 36 N -0.91 0.36 0.23 1.13 4.05 -1.83 -1.13 114.93 116.83 1jjs h MET 36 Ca -0.01 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 1jjs h MET 36 Cb 0.62 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.34 1jjs h MET 36 CO 0.01 0.24 -0.11 0.00 0.23 0.00 0.00 176.91 177.28 1jjs h ALA 37 N 1.74 -0.31 0.08 0.39 0.00 -1.63 -3.34 119.26 116.20 1jjs h ALA 37 Ca 0.22 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jjs h ALA 37 Cb 0.39 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1jjs h ALA 37 CO -0.05 -0.45 -0.04 0.00 0.00 0.00 0.00 179.25 178.71 1jjs h ALA 38 N -0.16 -0.10 0.00 0.00 0.00 -1.45 -3.38 119.26 114.17 1jjs h ALA 38 Ca -0.03 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1jjs h ALA 38 Cb 0.50 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1jjs h ALA 38 CO 0.05 -0.12 -0.02 0.27 0.00 0.00 0.00 179.25 179.44 1jjs h PHE 39 N -0.99 0.01 -0.77 0.00 -5.15 -1.44 -2.98 116.94 105.63 1jjs h PHE 39 Ca -0.01 -0.01 -0.01 0.00 -0.20 0.00 0.00 57.97 57.74 1jjs h PHE 39 Cb 0.38 -0.00 -0.04 0.00 0.22 0.00 0.00 35.95 36.51 1jjs h PHE 39 CO 0.08 0.92 0.43 -0.84 -2.00 0.00 0.00 178.31 176.90 1jjs h ILE 40 N -0.90 1.23 0.00 0.88 -0.00 -1.70 -0.61 117.51 116.41 1jjs h ILE 40 Ca -0.00 -0.56 -0.10 0.00 -0.00 0.00 0.00 64.86 64.20 1jjs h ILE 40 Cb 0.92 0.18 -0.01 0.00 -0.00 0.00 0.00 36.82 37.91 1jjs h ILE 40 CO 0.00 0.25 -0.46 0.11 -0.00 0.00 0.00 178.15 178.06 1jjs h LYS 41 N 1.08 0.00 -0.18 0.16 1.57 -1.73 -3.05 116.57 114.43 1jjs h LYS 41 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1jjs h LYS 41 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1jjs h LYS 41 CO -0.05 0.46 0.00 1.04 -0.57 0.00 0.00 179.45 180.33 1jjs n GLN 42 N -3.39 1.91 -0.07 3.15 6.02 -0.83 -2.04 117.38 122.14 1jjs n GLN 42 Ca 0.01 -1.36 -0.19 0.00 -0.01 0.00 0.00 57.00 55.44 1jjs n GLN 42 Cb 0.62 -1.43 -0.13 0.00 1.02 0.00 0.00 30.24 30.32 1jjs n GLN 42 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 1jjs n ARG 43 N 0.60 0.70 0.00 -1.09 1.85 -0.30 -4.85 116.66 113.57 1jjs n ARG 43 Ca 0.17 0.20 0.00 0.00 -1.00 0.00 0.00 57.85 57.22 1jjs n ARG 43 Cb 0.41 -1.61 0.00 0.00 -1.05 0.00 0.00 32.46 30.20 1jjs n ARG 43 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 1jjs n THR 44 N -3.35 0.00 -0.04 8.89 5.66 -1.23 -5.04 114.28 119.17 1jjs n THR 44 Ca -0.39 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.61 1jjs n THR 44 Cb 1.02 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.80 1jjs n THR 44 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jjs n ALA 45 N -0.07 0.00 -0.54 1.79 0.00 -0.87 -4.85 120.51 115.97 1jjs n ALA 45 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1jjs n ALA 45 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 1jjs n ALA 45 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jjs n LYS 46 N -2.00 2.65 -3.29 0.00 4.76 -1.26 -4.42 118.16 114.60 1jjs n LYS 46 Ca 0.00 -2.24 -0.26 0.00 -2.87 0.00 0.00 58.31 52.94 1jjs n LYS 46 Cb 0.00 -1.94 -0.07 0.00 -1.84 0.00 0.00 35.03 31.18 1jjs n LYS 46 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1jjs n TYR 47 N -0.27 2.22 -2.50 2.13 4.02 -1.26 -5.06 117.16 116.44 1jjs n TYR 47 Ca 0.35 -3.93 -0.43 0.00 -0.01 0.00 0.00 57.90 53.88 1jjs n TYR 47 Cb 1.21 -0.48 -0.02 0.00 -0.02 0.00 0.00 39.34 40.03 1jjs n TYR 47 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1jjs s VAL 48 N -2.25 4.28 -0.94 -0.72 -7.23 -1.26 -4.43 120.40 107.86 1jjs s VAL 48 Ca 0.39 1.46 -0.03 0.00 -1.81 0.00 0.00 61.98 62.00 1jjs s VAL 48 Cb 0.18 -4.24 0.24 0.00 0.56 0.00 0.00 36.38 33.12 1jjs s VAL 48 CO -0.06 -0.45 0.90 0.00 -0.31 0.00 0.00 175.10 175.17 1jjs n ALA 49 N 7.28 4.00 -0.15 1.32 0.00 -1.26 -5.18 120.51 126.52 1jjs n ALA 49 Ca 0.14 -4.64 0.00 0.00 0.00 0.00 0.00 53.44 48.94 1jjs n ALA 49 Cb 0.47 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.09 1jjs n ALA 49 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77