#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 0.85 -0.17 0.00 7.12 -1.89 -3.26 115.31 117.97 1jjs h LEU 6 Ca 0.00 -0.42 -0.14 0.00 0.13 0.00 0.00 57.88 57.46 1jjs h LEU 6 Cb 0.00 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 39.90 1jjs h LEU 6 CO 0.00 1.09 -0.43 -0.61 -0.13 0.00 0.00 178.44 178.36 1jjs h GLN 7 N 0.62 0.59 -0.91 1.25 5.75 -2.01 -3.29 115.11 117.11 1jjs h GLN 7 Ca 0.08 -0.41 0.10 0.00 -0.15 0.00 0.00 58.65 58.27 1jjs h GLN 7 Cb 0.78 0.06 -0.07 0.00 1.07 0.00 0.00 27.48 29.32 1jjs h GLN 7 CO 0.06 1.03 0.58 0.38 -2.65 0.00 0.00 178.83 178.23 1jjs h ASP 8 N 0.25 0.81 -0.93 -0.69 3.04 -2.01 -1.94 116.42 114.95 1jjs h ASP 8 Ca -0.00 0.03 0.08 0.00 -3.24 0.00 0.00 57.03 53.89 1jjs h ASP 8 Cb 1.04 -0.14 -0.06 0.00 -1.04 0.00 0.00 39.33 39.12 1jjs h ASP 8 CO 0.09 0.47 0.60 0.17 -2.04 0.00 0.00 179.24 178.53 1jjs h LEU 9 N 0.89 0.90 -0.16 0.15 8.10 -1.63 0.17 115.31 123.74 1jjs h LEU 9 Ca 0.43 0.02 -0.01 0.00 0.11 0.00 0.00 57.88 58.42 1jjs h LEU 9 Cb 0.43 -0.17 -0.01 0.00 -0.44 0.00 0.00 40.66 40.47 1jjs h LEU 9 CO -0.19 0.56 0.04 -0.07 -4.11 0.00 0.00 178.44 174.67 1jjs h LEU 10 N 1.01 0.24 -0.42 0.17 3.38 -1.49 0.94 115.31 119.15 1jjs h LEU 10 Ca 0.41 -0.22 -0.16 0.00 0.09 0.00 0.00 57.88 58.00 1jjs h LEU 10 Cb 0.28 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1jjs h LEU 10 CO -0.17 0.40 -0.46 0.03 0.09 0.00 0.00 178.44 178.33 1jjs h ARG 11 N 0.07 0.82 0.00 1.13 3.08 -1.44 0.20 114.38 118.24 1jjs h ARG 11 Ca 0.05 -0.47 -0.04 0.00 0.07 0.00 0.00 59.98 59.59 1jjs h ARG 11 Cb 0.25 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1jjs h ARG 11 CO 0.00 1.10 -0.15 0.00 -1.07 0.00 0.00 179.97 179.85 1jjs h THR 12 N 0.66 1.60 -0.05 2.04 1.03 -0.96 -3.35 112.91 113.88 1jjs h THR 12 Ca 0.04 -1.96 -0.12 0.00 -0.01 0.00 0.00 66.41 64.36 1jjs h THR 12 Cb 1.04 2.87 0.01 0.00 -1.07 0.00 0.00 68.15 71.00 1jjs h THR 12 CO 0.10 0.52 -0.45 -0.07 -0.01 0.00 0.00 175.52 175.62 1jjs h LEU 13 N -0.64 0.47 0.00 0.00 4.07 -0.92 -3.45 115.31 114.84 1jjs h LEU 13 Ca -0.02 -0.70 0.00 0.00 0.08 0.00 0.00 57.88 57.24 1jjs h LEU 13 Cb 0.94 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.54 1jjs h LEU 13 CO 0.03 1.10 0.00 0.29 -1.08 0.00 0.00 178.44 178.78 1jjs n LYS 14 N -4.32 0.00 -3.26 1.13 4.76 0.69 -1.37 118.16 115.80 1jjs n LYS 14 Ca -0.09 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.10 1jjs n LYS 14 Cb 0.58 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.70 1jjs n LYS 14 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1jjs n SER 15 N 1.15 1.00 0.01 4.39 3.41 -1.26 -4.92 113.62 117.40 1jjs n SER 15 Ca 0.00 -2.86 -0.09 0.00 -0.26 0.00 0.00 58.87 55.66 1jjs n SER 15 Cb 0.00 -0.65 -0.07 0.00 -0.26 0.00 0.00 64.21 63.23 1jjs n SER 15 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1jjs h PRO 16 N 4.10 -0.13 -6.38 4.33 0.11 -1.58 -3.47 132.00 128.98 1jjs h PRO 16 Ca 0.11 0.01 -0.51 0.00 0.11 0.00 0.00 66.00 65.72 1jjs h PRO 16 Cb 0.83 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1jjs h PRO 16 CO 0.55 0.32 -0.19 -1.12 -0.21 0.00 0.00 178.00 177.34 1jjs s SER 17 N -5.63 5.01 -0.36 -2.05 0.01 -1.26 -5.07 113.70 104.34 1jjs s SER 17 Ca -0.11 -0.92 0.13 0.00 1.31 0.00 0.00 55.95 56.36 1jjs s SER 17 Cb -0.00 0.19 0.44 0.00 0.21 0.00 0.00 66.02 66.86 1jjs s SER 17 CO 0.41 -1.17 1.00 -1.54 0.41 0.00 0.00 173.24 172.35 1jjs n SER 18 N -2.02 2.59 0.17 2.44 3.41 -1.26 -4.88 113.62 114.06 1jjs n SER 18 Ca 0.09 -3.07 0.02 0.00 -0.26 0.00 0.00 58.87 55.65 1jjs n SER 18 Cb 0.62 -0.51 0.33 0.00 -0.26 0.00 0.00 64.21 64.40 1jjs n SER 18 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1jjs h PRO 19 N 2.85 0.05 -6.47 4.33 0.13 -2.02 -3.56 132.00 127.31 1jjs h PRO 19 Ca 0.04 -0.02 -0.49 0.00 -0.87 0.00 0.00 66.00 64.66 1jjs h PRO 19 Cb 1.08 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 1jjs h PRO 19 CO 0.62 0.41 -0.89 0.94 -0.23 0.00 0.00 178.00 178.86 1jjs n GLN 20 N -4.09 -3.31 -0.32 0.86 -0.06 -1.26 -5.31 117.38 103.89 1jjs n GLN 20 Ca -0.02 0.42 0.20 0.00 -2.00 0.00 0.00 57.00 55.60 1jjs n GLN 20 Cb 0.41 -4.54 0.47 0.00 -4.06 0.00 0.00 30.24 22.52 1jjs n GLN 20 CO 0.00 0.00 0.00 -0.24 -0.20 0.00 0.00 177.06 176.62 1jjs h VAL 25 N -1.84 0.57 0.00 1.69 3.04 -1.93 -3.57 116.25 114.21 1jjs h VAL 25 Ca -0.63 -0.16 -0.01 0.00 -1.01 0.00 0.00 66.70 64.89 1jjs h VAL 25 Cb 1.37 0.07 -0.00 0.00 -2.01 0.00 0.00 31.29 30.73 1jjs h VAL 25 CO 0.62 0.08 -0.03 -0.07 -1.01 0.00 0.00 177.57 177.16 1jjs h LEU 26 N 0.46 0.00 -0.34 3.16 3.38 -2.00 -2.90 115.31 117.08 1jjs h LEU 26 Ca 0.58 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.61 1jjs h LEU 26 Cb 1.35 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.04 1jjs h LEU 26 CO -0.30 0.03 -0.04 -1.13 0.09 0.00 0.00 178.44 177.09 1jjs h ASN 27 N 0.00 -0.22 -0.08 -0.43 -1.24 -2.02 0.25 115.58 111.84 1jjs h ASN 27 Ca -0.00 0.09 -0.15 0.00 0.71 0.00 0.00 56.30 56.95 1jjs h ASN 27 Cb 0.07 0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.29 1jjs h ASN 27 CO 0.00 -0.07 -0.46 0.40 -1.29 0.00 0.00 177.43 176.01 1jjs h ILE 28 N 0.05 1.30 -0.74 2.57 2.04 -1.95 -2.81 117.51 117.97 1jjs h ILE 28 Ca 0.16 -1.66 0.13 0.00 1.00 0.00 0.00 64.86 64.49 1jjs h ILE 28 Cb 0.24 1.61 -0.05 0.00 -0.74 0.00 0.00 36.82 37.88 1jjs h ILE 28 CO -0.31 0.53 0.49 -0.07 0.00 0.00 0.00 178.15 178.79 1jjs h LEU 29 N 0.51 0.43 -1.69 1.44 3.38 -1.07 0.26 115.31 118.57 1jjs h LEU 29 Ca 0.03 0.02 0.20 0.00 0.09 0.00 0.00 57.88 58.22 1jjs h LEU 29 Cb 1.00 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 1jjs h LEU 29 CO 0.09 0.24 0.57 0.07 0.09 0.00 0.00 178.44 179.50 1jjs h LYS 30 N 0.47 0.26 0.52 1.13 5.09 -0.29 0.29 116.57 124.04 1jjs h LYS 30 Ca 0.36 -0.02 -0.03 0.00 0.09 0.00 0.00 60.65 61.06 1jjs h LYS 30 Cb 0.74 -0.06 0.01 0.00 0.10 0.00 0.00 32.23 33.02 1jjs h LYS 30 CO -0.12 0.17 -0.25 0.77 -2.09 0.00 0.00 179.45 177.93 1jjs h SER 31 N 0.26 -0.60 0.00 7.07 0.02 -0.61 -3.48 113.55 116.22 1jjs h SER 31 Ca 0.42 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 1jjs h SER 31 Cb 1.23 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.93 1jjs h SER 31 CO -0.11 -0.31 0.00 -0.46 -1.14 0.00 0.00 176.83 174.81 1jjs n ASN 32 N -5.33 0.00 0.02 3.07 6.94 0.10 -5.00 115.26 115.06 1jjs n ASN 32 Ca -0.12 0.00 -0.07 0.00 -0.02 0.00 0.00 54.58 54.38 1jjs n ASN 32 Cb 0.32 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.69 1jjs n ASN 32 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 1jjs h PRO 33 N 3.03 -0.15 0.00 -0.53 0.13 -1.86 -3.06 132.00 129.57 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 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 1jjs h PRO 33 CO 0.00 0.17 -0.08 -0.56 -0.23 0.00 0.00 178.00 177.30 1jjs h GLN 34 N -0.99 0.00 0.10 0.86 3.07 -1.94 -3.34 115.11 112.88 1jjs h GLN 34 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.72 1jjs h GLN 34 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.95 1jjs h GLN 34 CO 0.03 0.00 -0.05 -0.07 0.09 0.00 0.00 178.83 178.83 1jjs h LEU 35 N -0.53 -0.12 -1.57 0.06 3.38 -1.89 -2.93 115.31 111.71 1jjs h LEU 35 Ca 0.00 -0.46 0.05 0.00 0.09 0.00 0.00 57.88 57.56 1jjs h LEU 35 Cb 0.08 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1jjs h LEU 35 CO 0.00 0.49 0.36 -0.03 0.09 0.00 0.00 178.44 179.36 1jjs h MET 36 N -0.83 0.51 0.23 1.13 4.05 -1.84 -1.13 114.93 117.06 1jjs h MET 36 Ca -0.01 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.36 1jjs h MET 36 Cb 0.57 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.26 1jjs h MET 36 CO 0.02 0.34 -0.11 0.00 0.23 0.00 0.00 176.91 177.39 1jjs h ALA 37 N 1.70 -0.32 0.09 0.39 0.00 -1.61 -3.33 119.26 116.18 1jjs h ALA 37 Ca 0.23 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1jjs h ALA 37 Cb 0.25 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1jjs h ALA 37 CO -0.06 -0.44 -0.04 0.00 0.00 0.00 0.00 179.25 178.70 1jjs h ALA 38 N -0.21 -0.12 0.01 0.00 0.00 -1.30 -3.36 119.26 114.27 1jjs h ALA 38 Ca -0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1jjs h ALA 38 Cb 0.51 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1jjs h ALA 38 CO 0.05 -0.15 -0.00 0.27 0.00 0.00 0.00 179.25 179.42 1jjs h PHE 39 N -0.97 -0.01 -0.56 0.00 -5.15 -1.43 -2.85 116.94 105.97 1jjs h PHE 39 Ca -0.01 -0.00 0.01 0.00 -0.20 0.00 0.00 57.97 57.76 1jjs h PHE 39 Cb 0.45 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.59 1jjs h PHE 39 CO 0.09 0.80 0.37 -0.84 -2.00 0.00 0.00 178.31 176.74 1jjs h ILE 40 N -0.94 1.15 0.00 0.88 3.07 -1.69 -0.82 117.51 119.16 1jjs h ILE 40 Ca -0.00 -0.26 -0.07 0.00 1.55 0.00 0.00 64.86 66.07 1jjs h ILE 40 Cb 0.82 0.32 -0.01 0.00 -0.27 0.00 0.00 36.82 37.67 1jjs h ILE 40 CO 0.00 0.14 -0.34 0.11 -1.05 0.00 0.00 178.15 177.01 1jjs h LYS 41 N 0.76 0.00 -0.57 0.16 1.57 -1.70 -3.04 116.57 113.75 1jjs h LYS 41 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1jjs h LYS 41 Cb -0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1jjs h LYS 41 CO -0.04 0.34 0.00 1.04 -0.57 0.00 0.00 179.45 180.22 1jjs n GLN 42 N -3.37 2.61 0.00 3.15 1.13 -0.35 -2.37 117.38 118.18 1jjs n GLN 42 Ca 0.01 -1.88 0.00 0.00 -1.94 0.00 0.00 57.00 53.19 1jjs n GLN 42 Cb 0.55 -1.59 0.00 0.00 0.11 0.00 0.00 30.24 29.31 1jjs n GLN 42 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 1jjs n ARG 43 N 0.77 2.82 0.00 -1.09 -4.01 -0.97 -4.38 116.66 109.81 1jjs n ARG 43 Ca 0.17 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.98 1jjs n ARG 43 Cb 0.57 -0.89 0.00 0.00 -3.04 0.00 0.00 32.46 29.09 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 -1.59 0.00 0.00 8.89 5.66 -1.16 -5.01 114.28 121.07 1jjs n THR 44 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1jjs n THR 44 Cb 0.33 -0.76 0.00 0.00 -1.55 0.00 0.00 70.33 68.35 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 -1.73 0.00 0.12 1.79 0.00 -1.00 -4.74 120.51 114.94 1jjs n ALA 45 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1jjs n ALA 45 Cb 0.39 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.88 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 1.33 -3.42 0.00 -0.00 -1.26 -4.71 118.16 110.10 1jjs n LYS 46 Ca 0.00 -0.75 -0.44 0.00 -0.00 0.00 0.00 58.31 57.12 1jjs n LYS 46 Cb 0.00 -1.29 -0.03 0.00 -0.00 0.00 0.00 35.03 33.70 1jjs n LYS 46 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1jjs s TYR 47 N -0.84 3.74 -0.33 5.58 1.51 -1.26 -5.02 117.35 120.73 1jjs s TYR 47 Ca 0.14 -2.23 -0.29 0.00 -1.01 0.00 0.00 57.07 53.69 1jjs s TYR 47 Cb 0.12 -3.68 0.02 0.00 -0.11 0.00 0.00 41.96 38.31 1jjs s TYR 47 CO 0.02 -0.95 1.09 0.14 -1.11 0.00 0.00 175.55 174.74 1jjs s VAL 48 N -0.05 4.46 -0.87 0.71 -7.23 -1.26 -4.59 120.40 111.57 1jjs s VAL 48 Ca 0.19 1.67 0.01 0.00 -1.81 0.00 0.00 61.98 62.03 1jjs s VAL 48 Cb -0.12 -4.42 0.33 0.00 0.56 0.00 0.00 36.38 32.73 1jjs s VAL 48 CO -0.08 -0.53 1.59 0.00 -0.31 0.00 0.00 175.10 175.78 1jjs n ALA 49 N 7.00 5.73 1.58 1.32 0.00 -1.26 -5.19 120.51 129.69 1jjs n ALA 49 Ca 0.12 -4.56 0.13 0.00 0.00 0.00 0.00 53.44 49.12 1jjs n ALA 49 Cb 0.47 -1.72 0.75 0.00 0.00 0.00 0.00 19.45 18.96 1jjs n ALA 49 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79