#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 0.74 -0.76 0.00 7.12 -1.89 -3.27 115.31 117.25 1jjs h LEU 6 Ca 0.00 -0.52 -0.13 0.00 0.13 0.00 0.00 57.88 57.36 1jjs h LEU 6 Cb 0.00 -0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 39.89 1jjs h LEU 6 CO 0.00 1.30 -0.62 -0.61 -0.13 0.00 0.00 178.44 178.38 1jjs h GLN 7 N 0.40 0.01 -0.87 1.25 4.15 -2.02 -3.28 115.11 114.75 1jjs h GLN 7 Ca -0.06 -0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.47 1jjs h GLN 7 Cb 1.44 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 29.07 1jjs h GLN 7 CO 0.16 0.62 0.56 0.38 -1.93 0.00 0.00 178.83 178.62 1jjs h ASP 8 N 0.01 0.68 -0.50 -0.69 3.04 -2.01 -1.83 116.42 115.12 1jjs h ASP 8 Ca -0.01 0.03 -0.07 0.00 -3.24 0.00 0.00 57.03 53.75 1jjs h ASP 8 Cb 1.10 -0.11 -0.02 0.00 -1.04 0.00 0.00 39.33 39.26 1jjs h ASP 8 CO 0.08 0.37 0.05 0.17 -2.04 0.00 0.00 179.24 177.87 1jjs h LEU 9 N 0.74 0.83 -0.27 0.15 8.10 -1.74 -1.35 115.31 121.77 1jjs h LEU 9 Ca 0.42 -0.28 0.00 0.00 0.11 0.00 0.00 57.88 58.13 1jjs h LEU 9 Cb 0.59 -0.22 -0.01 0.00 -0.44 0.00 0.00 40.66 40.57 1jjs h LEU 9 CO -0.18 0.90 0.18 -0.07 -4.11 0.00 0.00 178.44 175.16 1jjs h LEU 10 N 0.72 0.31 -0.45 0.17 3.38 -1.50 0.39 115.31 118.33 1jjs h LEU 10 Ca 0.15 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.95 1jjs h LEU 10 Cb 0.45 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1jjs h LEU 10 CO 0.02 0.23 -0.45 0.08 0.09 0.00 0.00 178.44 178.41 1jjs h ARG 11 N 0.37 0.79 0.03 1.13 0.11 -1.45 0.05 114.38 115.41 1jjs h ARG 11 Ca 0.10 -0.44 -0.10 0.00 0.10 0.00 0.00 59.98 59.64 1jjs h ARG 11 Cb -0.04 0.03 0.01 0.00 1.11 0.00 0.00 29.97 31.08 1jjs h ARG 11 CO -0.02 1.07 -0.41 0.00 0.10 0.00 0.00 179.97 180.71 1jjs h THR 12 N 0.64 1.55 -0.15 0.08 1.03 -1.10 -3.32 112.91 111.63 1jjs h THR 12 Ca 0.04 -2.17 -0.18 0.00 -0.01 0.00 0.00 66.41 64.09 1jjs h THR 12 Cb 1.02 2.93 -0.00 0.00 -1.07 0.00 0.00 68.15 71.02 1jjs h THR 12 CO 0.10 0.60 -0.64 -0.07 -0.01 0.00 0.00 175.52 175.49 1jjs h LEU 13 N -0.47 0.66 -2.73 0.00 4.07 -0.32 -3.47 115.31 113.05 1jjs h LEU 13 Ca -0.06 -0.39 -0.03 0.00 0.08 0.00 0.00 57.88 57.48 1jjs h LEU 13 Cb 1.21 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.75 1jjs h LEU 13 CO 0.08 1.13 -0.05 0.29 -1.08 0.00 0.00 178.44 178.81 1jjs n LYS 14 N -3.92 -1.01 -2.03 1.13 4.76 0.00 -0.76 118.16 116.32 1jjs n LYS 14 Ca -0.04 -0.25 -0.02 0.00 -2.87 0.00 0.00 58.31 55.13 1jjs n LYS 14 Cb 0.66 0.31 0.01 0.00 -1.84 0.00 0.00 35.03 34.17 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 0.47 -3.77 -0.04 4.39 7.64 -1.26 -5.03 113.62 116.02 1jjs n SER 15 Ca -0.01 -0.10 -0.04 0.00 1.01 0.00 0.00 58.87 59.74 1jjs n SER 15 Cb 0.03 -2.28 -0.03 0.00 -1.01 0.00 0.00 64.21 60.92 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 -0.02 -0.04 0.00 1.43 0.11 -1.31 -3.41 132.00 128.75 1jjs h PRO 16 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1jjs h PRO 16 Cb 1.04 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1jjs h PRO 16 CO 0.11 0.17 0.00 0.45 -0.21 0.00 0.00 178.00 178.53 1jjs n SER 17 N -4.78 0.00 0.00 -2.05 2.88 -1.26 -5.02 113.62 103.39 1jjs n SER 17 Ca -0.03 0.76 0.00 0.00 -1.33 0.00 0.00 58.87 58.28 1jjs n SER 17 Cb 0.11 -0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 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 -1.39 0.00 -4.51 -3.46 7.64 -1.26 -5.09 113.62 105.55 1jjs n SER 18 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 1jjs n SER 18 Cb 0.00 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.04 1jjs n SER 18 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1jjs n PRO 19 N 0.00 0.13 -1.13 1.43 -0.04 -1.26 -5.03 135.00 129.10 1jjs n PRO 19 Ca 0.00 -0.05 -0.15 0.00 -0.04 0.00 0.00 63.50 63.27 1jjs n PRO 19 Cb 0.00 -1.65 -0.07 0.00 -0.04 0.00 0.00 33.50 31.74 1jjs n PRO 19 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jjs n GLN 20 N 7.63 0.04 0.00 0.54 10.64 -1.26 -5.02 117.38 129.95 1jjs n GLN 20 Ca 0.63 -0.88 0.00 0.00 -1.83 0.00 0.00 57.00 54.92 1jjs n GLN 20 Cb 0.13 -2.47 0.00 0.00 -0.86 0.00 0.00 30.24 27.04 1jjs n GLN 20 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.06 176.78 1jjs n VAL 25 N 6.70 0.00 0.27 -0.39 3.14 -1.26 -5.03 118.33 121.76 1jjs n VAL 25 Ca 0.26 0.00 0.17 0.00 -2.96 0.00 0.00 64.34 61.80 1jjs n VAL 25 Cb 0.44 -0.01 0.91 0.00 -1.06 0.00 0.00 33.84 34.12 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 -0.27 6.55 4.07 -2.00 -2.68 115.31 120.98 1jjs h LEU 26 Ca 0.00 0.00 0.06 0.00 0.08 0.00 0.00 57.88 58.02 1jjs h LEU 26 Cb 0.00 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.68 1jjs h LEU 26 CO 0.00 0.00 -0.11 -1.13 -1.08 0.00 0.00 178.44 176.12 1jjs h ASN 27 N 0.00 -0.38 0.04 -0.43 -1.24 -2.04 0.46 115.58 111.98 1jjs h ASN 27 Ca 0.03 0.10 -0.17 0.00 0.71 0.00 0.00 56.30 56.98 1jjs h ASN 27 Cb 0.21 0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.48 1jjs h ASN 27 CO -0.00 -0.14 -0.58 0.40 -1.29 0.00 0.00 177.43 175.82 1jjs h ILE 28 N -0.07 1.32 -0.89 2.57 2.04 -1.94 -2.96 117.51 117.59 1jjs h ILE 28 Ca 0.14 -1.84 0.19 0.00 1.00 0.00 0.00 64.86 64.35 1jjs h ILE 28 Cb 0.28 1.81 -0.07 0.00 -0.74 0.00 0.00 36.82 38.10 1jjs h ILE 28 CO -0.31 0.57 0.59 -0.07 0.00 0.00 0.00 178.15 178.92 1jjs h LEU 29 N 0.42 0.43 -2.01 1.44 3.38 -1.10 1.21 115.31 119.08 1jjs h LEU 29 Ca 0.00 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.12 1jjs h LEU 29 Cb 1.13 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1jjs h LEU 29 CO 0.11 0.18 0.41 0.07 0.09 0.00 0.00 178.44 179.29 1jjs h LYS 30 N 0.44 0.00 0.69 1.13 5.09 -0.77 -0.03 116.57 123.12 1jjs h LYS 30 Ca 0.46 0.00 -0.03 0.00 0.09 0.00 0.00 60.65 61.17 1jjs h LYS 30 Cb 1.11 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.44 1jjs h LYS 30 CO -0.18 0.00 -0.38 0.66 -2.09 0.00 0.00 179.45 177.46 1jjs h SER 31 N 0.00 -0.94 0.00 7.07 4.64 0.13 -3.48 113.55 120.97 1jjs h SER 31 Ca 0.17 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1jjs h SER 31 Cb 0.98 0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1jjs h SER 31 CO -0.00 -0.61 0.00 -0.46 -0.87 0.00 0.00 176.83 174.89 1jjs n ASN 32 N -4.83 0.00 -0.03 4.97 0.23 -0.03 -4.97 115.26 110.60 1jjs n ASN 32 Ca -0.12 0.00 -0.10 0.00 -0.53 0.00 0.00 54.58 53.82 1jjs n ASN 32 Cb 0.40 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.01 1jjs n ASN 32 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 1jjs h PRO 33 N 0.00 -0.05 0.01 -0.53 0.13 -1.90 -1.23 132.00 128.44 1jjs h PRO 33 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1jjs h PRO 33 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1jjs h PRO 33 CO 0.00 0.59 -0.01 -0.56 -0.23 0.00 0.00 178.00 177.79 1jjs h GLN 34 N -0.93 -0.02 0.06 0.86 3.07 -1.93 -3.32 115.11 112.90 1jjs h GLN 34 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.73 1jjs h GLN 34 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.22 1jjs h GLN 34 CO 0.01 -0.01 -0.03 -0.07 0.09 0.00 0.00 178.83 178.82 1jjs h LEU 35 N -0.34 -0.07 -1.11 0.06 3.38 -1.87 -3.08 115.31 112.30 1jjs h LEU 35 Ca -0.00 -0.50 -0.06 0.00 0.09 0.00 0.00 57.88 57.41 1jjs h LEU 35 Cb 0.01 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1jjs h LEU 35 CO 0.00 0.64 -0.01 -0.03 0.09 0.00 0.00 178.44 179.13 1jjs h MET 36 N -0.94 0.62 0.16 1.13 4.05 -1.81 -1.23 114.93 116.90 1jjs h MET 36 Ca -0.01 -0.15 -0.01 0.00 -0.28 0.00 0.00 59.70 59.26 1jjs h MET 36 Cb 0.56 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.28 1jjs h MET 36 CO 0.01 0.64 -0.08 0.00 0.23 0.00 0.00 176.91 177.72 1jjs h ALA 37 N 1.41 -0.21 0.13 0.39 0.00 -1.32 -3.33 119.26 116.33 1jjs h ALA 37 Ca 0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1jjs h ALA 37 Cb 0.38 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1jjs h ALA 37 CO 0.01 -0.41 -0.06 0.00 0.00 0.00 0.00 179.25 178.79 1jjs h ALA 38 N 0.09 -0.17 0.00 0.00 0.00 -1.47 -3.37 119.26 114.34 1jjs h ALA 38 Ca -0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1jjs h ALA 38 Cb 0.47 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1jjs h ALA 38 CO 0.04 -0.18 -0.00 0.27 0.00 0.00 0.00 179.25 179.37 1jjs h PHE 39 N -1.00 -0.00 -0.38 0.00 -5.15 -1.43 -3.30 116.94 105.67 1jjs h PHE 39 Ca -0.02 -0.00 0.07 0.00 -0.20 0.00 0.00 57.97 57.82 1jjs h PHE 39 Cb 0.36 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.51 1jjs h PHE 39 CO 0.06 0.82 0.26 -0.84 -2.00 0.00 0.00 178.31 176.61 1jjs h ILE 40 N -0.98 0.93 0.00 0.88 3.07 -1.67 0.16 117.51 119.89 1jjs h ILE 40 Ca -0.00 -0.08 -0.01 0.00 1.55 0.00 0.00 64.86 66.31 1jjs h ILE 40 Cb 0.82 0.68 -0.00 0.00 -0.27 0.00 0.00 36.82 38.05 1jjs h ILE 40 CO 0.00 0.04 -0.07 0.11 -1.05 0.00 0.00 178.15 177.18 1jjs h LYS 41 N 0.23 0.00 -0.39 0.16 1.79 -1.70 -3.14 116.57 113.51 1jjs h LYS 41 Ca 0.17 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.36 1jjs h LYS 41 Cb 0.38 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 30.82 1jjs h LYS 41 CO -0.03 0.07 -0.56 1.04 -1.08 0.00 0.00 179.45 178.89 1jjs n GLN 42 N -3.21 2.53 0.00 3.15 6.02 0.02 -4.61 117.38 121.28 1jjs n GLN 42 Ca 0.00 -3.68 0.00 0.00 -0.01 0.00 0.00 57.00 53.32 1jjs n GLN 42 Cb 0.33 -1.95 0.00 0.00 1.02 0.00 0.00 30.24 29.64 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 -0.94 1.01 0.00 -1.09 -4.01 -1.09 -4.73 116.66 105.81 1jjs n ARG 43 Ca 0.33 0.00 0.01 0.00 -1.04 0.00 0.00 57.85 57.14 1jjs n ARG 43 Cb 0.84 -0.44 -0.01 0.00 -3.04 0.00 0.00 32.46 29.82 1jjs n ARG 43 CO 0.00 0.00 0.00 -2.37 -3.04 0.00 0.00 177.63 172.22 1jjs n THR 44 N -0.40 0.00 0.00 8.89 5.66 -1.22 -4.87 114.28 122.34 1jjs n THR 44 Ca 0.00 -0.48 0.00 0.00 -3.05 0.00 0.00 64.05 60.52 1jjs n THR 44 Cb 0.00 1.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.78 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 -0.92 0.00 1.52 1.79 0.00 -1.26 -4.27 120.51 117.37 1jjs n ALA 45 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.48 1jjs n ALA 45 Cb 0.02 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.58 1jjs n ALA 45 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1jjs n LYS 46 N 0.00 1.35 -1.17 0.00 2.85 -1.26 -4.96 118.16 114.98 1jjs n LYS 46 Ca 0.00 -0.55 -0.43 0.00 -1.05 0.00 0.00 58.31 56.28 1jjs n LYS 46 Cb 0.00 -1.14 -0.05 0.00 -0.65 0.00 0.00 35.03 33.19 1jjs n LYS 46 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83 1jjs n TYR 47 N -0.08 0.10 -4.10 5.58 0.18 -1.26 -4.95 117.16 112.64 1jjs n TYR 47 Ca 0.06 0.82 -0.33 0.00 1.88 0.00 0.00 57.90 60.34 1jjs n TYR 47 Cb 0.14 -1.63 -0.16 0.00 -0.38 0.00 0.00 39.34 37.31 1jjs n TYR 47 CO 0.00 0.00 0.00 0.14 -2.08 0.00 0.00 176.86 174.92 1jjs s VAL 48 N -0.36 2.10 0.00 -3.48 -7.23 -1.26 -4.89 120.40 105.28 1jjs s VAL 48 Ca 0.63 -1.24 0.00 0.00 -1.81 0.00 0.00 61.98 59.57 1jjs s VAL 48 Cb -0.90 -2.04 0.00 0.00 0.56 0.00 0.00 36.38 34.01 1jjs s VAL 48 CO 0.45 0.29 0.00 0.00 -0.31 0.00 0.00 175.10 175.54 1jjs n ALA 49 N 4.54 1.03 -1.15 1.32 0.00 -1.26 -5.12 120.51 119.88 1jjs n ALA 49 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1jjs n ALA 49 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1jjs n ALA 49 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79