#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 0.62 -0.57 0.00 6.46 -1.86 -3.20 115.31 116.75 1jjs h LEU 6 Ca 0.00 -0.36 -0.16 0.00 -0.12 0.00 0.00 57.88 57.24 1jjs h LEU 6 Cb 0.00 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 39.74 1jjs h LEU 6 CO 0.00 1.09 -0.68 -0.61 -0.62 0.00 0.00 178.44 177.62 1jjs h GLN 7 N 0.40 0.16 -0.84 1.25 4.15 -1.99 -3.22 115.11 115.02 1jjs h GLN 7 Ca -0.01 -0.13 0.13 0.00 0.77 0.00 0.00 58.65 59.41 1jjs h GLN 7 Cb 1.20 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.85 1jjs h GLN 7 CO 0.12 0.78 0.55 0.38 -1.93 0.00 0.00 178.83 178.72 1jjs h ASP 8 N 0.11 0.61 -0.74 -0.69 3.04 -1.99 -0.34 116.42 116.43 1jjs h ASP 8 Ca -0.01 0.03 -0.03 0.00 -3.24 0.00 0.00 57.03 53.77 1jjs h ASP 8 Cb 1.22 -0.09 -0.03 0.00 -1.04 0.00 0.00 39.33 39.38 1jjs h ASP 8 CO 0.10 0.33 0.33 0.17 -2.04 0.00 0.00 179.24 178.13 1jjs h LEU 9 N 0.66 0.99 -0.50 0.15 8.10 -1.67 0.29 115.31 123.32 1jjs h LEU 9 Ca 0.41 -0.15 -0.04 0.00 0.11 0.00 0.00 57.88 58.21 1jjs h LEU 9 Cb 0.66 -0.25 -0.02 0.00 -0.44 0.00 0.00 40.66 40.60 1jjs h LEU 9 CO -0.17 0.86 0.15 -0.07 -4.11 0.00 0.00 178.44 175.10 1jjs h LEU 10 N 1.04 0.74 -0.30 0.17 3.38 -1.22 0.35 115.31 119.48 1jjs h LEU 10 Ca 0.25 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 1jjs h LEU 10 Cb 0.16 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1jjs h LEU 10 CO -0.03 0.76 -0.35 0.03 0.09 0.00 0.00 178.44 178.94 1jjs h ARG 11 N 0.68 0.76 0.03 1.13 -0.00 -1.05 0.12 114.38 116.05 1jjs h ARG 11 Ca 0.16 -0.42 -0.07 0.00 -0.50 0.00 0.00 59.98 59.15 1jjs h ARG 11 Cb 0.29 0.02 0.01 0.00 0.00 0.00 0.00 29.97 30.29 1jjs h ARG 11 CO -0.00 1.04 -0.29 0.00 0.00 0.00 0.00 179.97 180.72 1jjs h THR 12 N 0.51 1.62 -0.08 2.04 1.03 -0.35 -3.36 112.91 114.33 1jjs h THR 12 Ca 0.04 -2.22 -0.12 0.00 -0.01 0.00 0.00 66.41 64.10 1jjs h THR 12 Cb 0.93 3.08 0.01 0.00 -1.07 0.00 0.00 68.15 71.10 1jjs h THR 12 CO 0.08 0.60 -0.44 -0.07 -0.01 0.00 0.00 175.52 175.69 1jjs h LEU 13 N -0.64 0.52 0.00 0.00 4.07 -0.42 -3.45 115.31 115.38 1jjs h LEU 13 Ca -0.05 -0.66 0.00 0.00 0.08 0.00 0.00 57.88 57.25 1jjs h LEU 13 Cb 1.15 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.73 1jjs h LEU 13 CO 0.06 1.10 0.00 0.29 -1.08 0.00 0.00 178.44 178.80 1jjs n LYS 14 N -4.31 0.00 -3.13 1.13 5.02 0.41 -1.65 118.16 115.63 1jjs n LYS 14 Ca -0.08 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 55.99 1jjs n LYS 14 Cb 0.57 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.52 1jjs n LYS 14 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1jjs n SER 15 N 1.08 -0.24 0.01 4.39 7.64 -1.26 -4.74 113.62 120.50 1jjs n SER 15 Ca 0.00 -2.77 0.13 0.00 1.01 0.00 0.00 58.87 57.25 1jjs n SER 15 Cb 0.00 -0.31 0.51 0.00 -1.01 0.00 0.00 64.21 63.40 1jjs n SER 15 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1jjs n PRO 16 N 1.45 0.03 -3.55 1.43 -0.05 -0.66 -4.90 135.00 128.76 1jjs n PRO 16 Ca 0.19 0.02 -0.12 0.00 -0.05 0.00 0.00 63.50 63.55 1jjs n PRO 16 Cb 0.54 -1.53 -0.05 0.00 -0.05 0.00 0.00 33.50 32.41 1jjs n PRO 16 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 175.50 174.33 1jjs s SER 17 N -3.17 -0.43 -0.02 3.54 0.01 -1.26 -4.98 113.70 107.39 1jjs s SER 17 Ca 0.13 0.40 -0.30 0.00 1.31 0.00 0.00 55.95 57.49 1jjs s SER 17 Cb 0.18 0.37 -0.05 0.00 0.21 0.00 0.00 66.02 66.72 1jjs s SER 17 CO 0.58 -0.45 1.40 -0.55 0.41 0.00 0.00 173.24 174.63 1jjs s SER 18 N -1.36 6.85 -0.87 2.44 0.15 -1.26 -4.86 113.70 114.79 1jjs s SER 18 Ca -0.03 2.07 -0.21 0.00 0.70 0.00 0.00 55.95 58.49 1jjs s SER 18 Cb -0.00 -2.56 -0.22 0.00 -1.71 0.00 0.00 66.02 61.53 1jjs s SER 18 CO 0.01 -0.74 2.40 -2.65 1.20 0.00 0.00 173.24 173.46 1jjs n PRO 19 N 5.64 0.28 -0.00 5.44 -0.02 -1.26 -5.10 135.00 139.98 1jjs n PRO 19 Ca 0.13 -0.19 0.04 0.00 -2.02 0.00 0.00 63.50 61.47 1jjs n PRO 19 Cb 0.44 -2.10 -0.06 0.00 -0.02 0.00 0.00 33.50 31.76 1jjs n PRO 19 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1jjs n GLN 20 N 7.56 1.48 0.00 -0.52 -0.06 -1.26 -5.24 117.38 119.34 1jjs n GLN 20 Ca 0.58 -0.05 0.00 0.00 -2.00 0.00 0.00 57.00 55.53 1jjs n GLN 20 Cb 0.24 -1.10 0.00 0.00 -4.06 0.00 0.00 30.24 25.32 1jjs n GLN 20 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 1jjs n VAL 25 N -1.60 0.00 0.19 1.69 3.14 -1.26 -5.23 118.33 115.25 1jjs n VAL 25 Ca -0.01 0.00 0.18 0.00 -2.96 0.00 0.00 64.34 61.55 1jjs n VAL 25 Cb 0.19 0.00 0.82 0.00 -1.06 0.00 0.00 33.84 33.78 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 -0.30 6.55 3.38 -1.99 -1.73 115.31 121.21 1jjs h LEU 26 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1jjs h LEU 26 Cb 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1jjs h LEU 26 CO 0.00 0.00 -0.06 0.78 0.09 0.00 0.00 178.44 179.25 1jjs h ASN 27 N 0.00 -0.24 -0.26 -0.43 2.35 -1.99 1.03 115.58 116.04 1jjs h ASN 27 Ca 0.11 0.09 -0.16 0.00 -0.55 0.00 0.00 56.30 55.78 1jjs h ASN 27 Cb 0.64 0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.18 1jjs h ASN 27 CO -0.00 -0.08 -0.46 0.40 -1.65 0.00 0.00 177.43 175.64 1jjs h ILE 28 N 0.02 1.30 -0.70 2.81 2.04 -1.71 -2.99 117.51 118.28 1jjs h ILE 28 Ca 0.15 -1.66 0.12 0.00 1.00 0.00 0.00 64.86 64.47 1jjs h ILE 28 Cb 0.22 1.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.96 1jjs h ILE 28 CO -0.30 0.53 0.47 -0.07 0.00 0.00 0.00 178.15 178.78 1jjs h LEU 29 N 0.50 0.44 -1.99 1.44 3.38 -0.88 0.11 115.31 118.31 1jjs h LEU 29 Ca 0.02 0.02 0.27 0.00 0.09 0.00 0.00 57.88 58.27 1jjs h LEU 29 Cb 1.06 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 1jjs h LEU 29 CO 0.10 0.25 0.66 0.07 0.09 0.00 0.00 178.44 179.61 1jjs h LYS 30 N 0.48 0.01 0.05 1.13 5.09 0.12 0.44 116.57 123.88 1jjs h LYS 30 Ca 0.33 -0.00 -0.00 0.00 0.09 0.00 0.00 60.65 61.07 1jjs h LYS 30 Cb 0.64 -0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.97 1jjs h LYS 30 CO -0.11 0.00 -0.02 0.77 -2.09 0.00 0.00 179.45 178.00 1jjs h SER 31 N 0.01 -0.05 0.00 7.07 0.02 -0.93 -3.49 113.55 116.18 1jjs h SER 31 Ca 0.44 -0.56 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1jjs h SER 31 Cb 1.75 0.01 0.00 0.00 0.14 0.00 0.00 62.40 64.30 1jjs h SER 31 CO -0.01 0.68 0.00 -0.46 -1.14 0.00 0.00 176.83 175.90 1jjs n ASN 32 N -4.75 0.00 0.03 3.07 6.94 0.15 -5.00 115.26 115.71 1jjs n ASN 32 Ca -0.07 0.00 -0.09 0.00 -0.02 0.00 0.00 54.58 54.40 1jjs n ASN 32 Cb 0.30 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.65 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 3.61 -0.18 0.00 -0.53 0.13 -1.85 -2.18 132.00 130.99 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 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.17 1jjs h PRO 33 CO 0.00 0.24 -0.07 1.96 -0.23 0.00 0.00 178.00 179.90 1jjs h GLN 34 N -0.92 0.00 0.06 0.86 4.20 -1.94 -3.37 115.11 114.00 1jjs h GLN 34 Ca -0.02 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 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 0.03 0.00 -0.03 -0.07 -0.67 0.00 0.00 178.83 178.09 1jjs h LEU 35 N -0.31 -0.07 -0.94 1.46 3.38 -1.90 -2.98 115.31 113.96 1jjs h LEU 35 Ca 0.00 -0.54 0.05 0.00 0.09 0.00 0.00 57.88 57.49 1jjs h LEU 35 Cb 0.07 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 1jjs h LEU 35 CO 0.00 0.64 0.60 -0.03 0.09 0.00 0.00 178.44 179.75 1jjs h MET 36 N -0.92 1.09 0.41 1.13 4.05 -1.86 0.38 114.93 119.21 1jjs h MET 36 Ca -0.01 -0.07 -0.02 0.00 -0.28 0.00 0.00 59.70 59.33 1jjs h MET 36 Cb 0.60 -0.25 0.00 0.00 -0.80 0.00 0.00 31.60 31.16 1jjs h MET 36 CO 0.01 0.72 -0.20 0.00 0.23 0.00 0.00 176.91 177.68 1jjs h ALA 37 N 1.41 -0.55 0.05 0.39 0.00 -1.51 -3.27 119.26 115.78 1jjs h ALA 37 Ca 0.39 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1jjs h ALA 37 Cb 0.11 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1jjs h ALA 37 CO -0.15 -0.79 -0.02 0.00 0.00 0.00 0.00 179.25 178.28 1jjs h ALA 38 N -0.01 -0.07 0.00 0.00 0.00 -1.29 -3.40 119.26 114.49 1jjs h ALA 38 Ca -0.06 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1jjs h ALA 38 Cb 0.45 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1jjs h ALA 38 CO 0.09 -0.09 -0.00 0.27 0.00 0.00 0.00 179.25 179.52 1jjs h PHE 39 N -0.97 -0.00 -0.98 0.00 -5.15 -0.42 -3.37 116.94 106.05 1jjs h PHE 39 Ca -0.01 -0.00 0.11 0.00 -0.20 0.00 0.00 57.97 57.87 1jjs h PHE 39 Cb 0.52 0.00 -0.08 0.00 0.22 0.00 0.00 35.95 36.61 1jjs h PHE 39 CO 0.13 0.88 0.63 -0.84 -2.00 0.00 0.00 178.31 177.10 1jjs h ILE 40 N -0.90 0.95 0.00 0.88 3.07 -1.62 0.65 117.51 120.54 1jjs h ILE 40 Ca -0.00 -0.34 0.00 0.00 1.55 0.00 0.00 64.86 66.07 1jjs h ILE 40 Cb 0.88 -0.13 0.00 0.00 -0.27 0.00 0.00 36.82 37.29 1jjs h ILE 40 CO 0.00 0.18 0.00 0.11 -1.05 0.00 0.00 178.15 177.39 1jjs h LYS 41 N 1.00 0.00 -0.21 0.16 6.56 -1.74 -2.35 116.57 119.99 1jjs h LYS 41 Ca 0.47 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.06 1jjs h LYS 41 Cb 0.43 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.09 1jjs h LYS 41 CO -0.23 0.00 0.00 0.00 -2.06 0.00 0.00 179.45 177.16 1jjs n GLN 42 N -2.42 2.59 0.00 3.15 10.64 0.21 -4.67 117.38 126.87 1jjs n GLN 42 Ca -0.00 -2.69 0.00 0.00 -1.83 0.00 0.00 57.00 52.48 1jjs n GLN 42 Cb 0.13 -1.71 0.00 0.00 -0.86 0.00 0.00 30.24 27.80 1jjs n GLN 42 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12 1jjs n ARG 43 N -0.61 0.00 0.12 2.61 -4.01 -0.93 -4.62 116.66 109.22 1jjs n ARG 43 Ca 0.19 0.00 0.12 0.00 -1.04 0.00 0.00 57.85 57.12 1jjs n ARG 43 Cb 0.79 -0.41 0.19 0.00 -3.04 0.00 0.00 32.46 29.99 1jjs n ARG 43 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1jjs h THR 44 N 0.00 0.00 0.00 8.89 1.03 -1.73 -3.45 112.91 117.65 1jjs h THR 44 Ca 0.00 -0.71 0.00 0.00 -0.01 0.00 0.00 66.41 65.69 1jjs h THR 44 Cb 0.00 1.46 0.00 0.00 -1.07 0.00 0.00 68.15 68.54 1jjs h THR 44 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 175.51 1jjs n ALA 45 N -1.95 0.00 0.10 0.00 0.00 -1.26 -4.73 120.51 112.67 1jjs n ALA 45 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 1jjs n ALA 45 Cb 0.48 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.85 1jjs n ALA 45 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1jjs h LYS 46 N 0.00 -0.27 -4.81 0.00 1.57 -1.91 -3.49 116.57 107.66 1jjs h LYS 46 Ca 0.00 0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 1jjs h LYS 46 Cb 0.00 0.06 0.08 0.00 0.08 0.00 0.00 32.23 32.45 1jjs h LYS 46 CO 0.00 0.08 -0.33 0.66 -0.57 0.00 0.00 179.45 179.29 1jjs n TYR 47 N -5.04 -2.05 -5.11 -1.35 4.01 -1.26 -5.03 117.16 101.33 1jjs n TYR 47 Ca -0.09 0.75 -0.32 0.00 -0.16 0.00 0.00 57.90 58.08 1jjs n TYR 47 Cb 0.25 -3.60 -0.16 0.00 -0.31 0.00 0.00 39.34 35.51 1jjs n TYR 47 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1jjs s VAL 48 N -3.15 2.33 0.00 -0.72 -7.23 -1.26 -4.86 120.40 105.51 1jjs s VAL 48 Ca 0.18 -0.93 0.00 0.00 -1.81 0.00 0.00 61.98 59.42 1jjs s VAL 48 Cb -0.02 -1.91 0.00 0.00 0.56 0.00 0.00 36.38 35.01 1jjs s VAL 48 CO 0.56 0.55 0.00 0.00 -0.31 0.00 0.00 175.10 175.90 1jjs n ALA 49 N 3.43 0.00 -0.41 1.32 0.00 -1.26 -4.97 120.51 118.62 1jjs n ALA 49 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1jjs n ALA 49 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1jjs n ALA 49 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79