#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 0.76 -0.81 0.00 7.12 -2.00 -3.18 115.31 117.20 1jjs h LEU 6 Ca 0.00 -0.44 -0.12 0.00 0.13 0.00 0.00 57.88 57.44 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 1.20 -0.59 -0.61 -0.13 0.00 0.00 178.44 178.31 1jjs h GLN 7 N 0.49 0.03 -0.74 1.25 4.15 -2.01 -3.15 115.11 115.13 1jjs h GLN 7 Ca -0.01 -0.02 0.13 0.00 0.77 0.00 0.00 58.65 59.52 1jjs h GLN 7 Cb 1.21 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.85 1jjs h GLN 7 CO 0.12 0.60 0.49 0.38 -1.93 0.00 0.00 178.83 178.50 1jjs h ASP 8 N 0.02 0.47 -0.34 -0.69 3.04 -1.99 -0.94 116.42 115.99 1jjs h ASP 8 Ca -0.01 0.02 -0.04 0.00 -3.24 0.00 0.00 57.03 53.77 1jjs h ASP 8 Cb 1.04 -0.07 -0.01 0.00 -1.04 0.00 0.00 39.33 39.24 1jjs h ASP 8 CO 0.08 0.26 0.07 0.17 -2.04 0.00 0.00 179.24 177.78 1jjs h LEU 9 N 0.50 0.52 -0.21 0.15 8.10 -1.67 0.12 115.31 122.82 1jjs h LEU 9 Ca 0.36 -0.24 -0.00 0.00 0.11 0.00 0.00 57.88 58.10 1jjs h LEU 9 Cb 0.69 -0.14 -0.01 0.00 -0.44 0.00 0.00 40.66 40.76 1jjs h LEU 9 CO -0.12 0.63 0.12 -0.07 -4.11 0.00 0.00 178.44 174.89 1jjs h LEU 10 N 0.39 0.26 -0.58 0.17 3.38 -1.34 0.42 115.31 118.02 1jjs h LEU 10 Ca 0.11 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 1jjs h LEU 10 Cb 0.31 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1jjs h LEU 10 CO 0.00 0.25 -0.38 0.08 0.09 0.00 0.00 178.44 178.48 1jjs h ARG 11 N 0.25 0.71 0.03 1.13 0.11 -1.27 0.26 114.38 115.60 1jjs h ARG 11 Ca 0.08 -0.36 -0.06 0.00 0.10 0.00 0.00 59.98 59.73 1jjs h ARG 11 Cb 0.05 0.01 0.01 0.00 1.11 0.00 0.00 29.97 31.14 1jjs h ARG 11 CO -0.01 0.97 -0.27 0.00 0.10 0.00 0.00 179.97 180.76 1jjs h THR 12 N 0.59 1.63 -0.09 0.08 1.03 -0.62 -3.36 112.91 112.17 1jjs h THR 12 Ca 0.05 -2.21 -0.12 0.00 -0.01 0.00 0.00 66.41 64.13 1jjs h THR 12 Cb 0.92 3.09 0.00 0.00 -1.07 0.00 0.00 68.15 71.09 1jjs h THR 12 CO 0.08 0.60 -0.40 -0.07 -0.01 0.00 0.00 175.52 175.72 1jjs h LEU 13 N -0.66 0.51 0.00 0.00 4.07 -0.25 -3.45 115.31 115.53 1jjs h LEU 13 Ca -0.04 -0.64 0.00 0.00 0.08 0.00 0.00 57.88 57.28 1jjs h LEU 13 Cb 1.13 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.72 1jjs h LEU 13 CO 0.05 1.06 0.00 0.29 -1.08 0.00 0.00 178.44 178.77 1jjs n LYS 14 N -4.33 0.00 -3.22 1.13 4.76 0.92 -1.66 118.16 115.75 1jjs n LYS 14 Ca -0.08 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.12 1jjs n LYS 14 Cb 0.54 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.67 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 1.20 1.21 0.00 4.39 3.41 -1.26 -4.86 113.62 117.70 1jjs n SER 15 Ca 0.00 -2.94 0.12 0.00 -0.26 0.00 0.00 58.87 55.78 1jjs n SER 15 Cb 0.00 -0.64 0.68 0.00 -0.26 0.00 0.00 64.21 63.99 1jjs n SER 15 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1jjs n PRO 16 N 1.04 0.91 -3.00 4.33 -0.02 -0.67 -4.90 135.00 132.69 1jjs n PRO 16 Ca 0.24 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.74 1jjs n PRO 16 Cb 0.52 -1.39 0.01 0.00 -0.02 0.00 0.00 33.50 32.61 1jjs n PRO 16 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1jjs n SER 17 N -0.89 -0.54 -2.65 2.55 3.41 -1.26 -4.93 113.62 109.31 1jjs n SER 17 Ca 0.17 -1.04 -0.22 0.00 -0.26 0.00 0.00 58.87 57.52 1jjs n SER 17 Cb 0.08 0.82 -0.00 0.00 -0.26 0.00 0.00 64.21 64.85 1jjs n SER 17 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1jjs n SER 18 N -0.54 3.56 0.05 4.04 7.64 -1.26 -4.85 113.62 122.26 1jjs n SER 18 Ca 0.03 -3.41 -0.21 0.00 1.01 0.00 0.00 58.87 56.29 1jjs n SER 18 Cb 0.29 -0.50 -0.15 0.00 -1.01 0.00 0.00 64.21 62.84 1jjs n SER 18 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1jjs h PRO 19 N 2.78 0.32 0.00 1.43 0.13 -2.01 -3.55 132.00 131.09 1jjs h PRO 19 Ca 0.16 -0.54 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1jjs h PRO 19 Cb 0.93 0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1jjs h PRO 19 CO 0.73 1.26 0.00 1.04 -0.23 0.00 0.00 178.00 180.80 1jjs n GLN 20 N -3.99 0.00 0.00 0.86 1.13 -1.26 -5.23 117.38 108.89 1jjs n GLN 20 Ca -0.18 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.88 1jjs n GLN 20 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.24 1jjs n GLN 20 CO 0.00 0.00 0.00 1.55 -1.44 0.00 0.00 177.06 177.17 1jjs n VAL 25 N 0.00 0.00 0.28 5.09 3.14 -1.26 -5.11 118.33 120.47 1jjs n VAL 25 Ca 0.00 0.00 0.14 0.00 -2.96 0.00 0.00 64.34 61.52 1jjs n VAL 25 Cb 0.00 0.00 0.83 0.00 -1.06 0.00 0.00 33.84 33.61 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 -0.33 6.55 3.38 -2.00 -2.97 115.31 119.94 1jjs h LEU 26 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 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 0.06 -0.09 -1.13 0.09 0.00 0.00 178.44 177.37 1jjs h ASN 27 N 0.00 -0.32 -0.03 -0.43 -0.73 -2.00 0.38 115.58 112.45 1jjs h ASN 27 Ca -0.00 0.10 -0.16 0.00 1.87 0.00 0.00 56.30 58.11 1jjs h ASN 27 Cb 0.16 0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.96 1jjs h ASN 27 CO 0.01 -0.11 -0.53 0.40 -0.37 0.00 0.00 177.43 176.83 1jjs h ILE 28 N -0.01 1.31 -0.76 2.57 2.04 -1.88 -2.86 117.51 117.93 1jjs h ILE 28 Ca 0.16 -1.76 0.13 0.00 1.00 0.00 0.00 64.86 64.39 1jjs h ILE 28 Cb 0.25 1.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.99 1jjs h ILE 28 CO -0.34 0.55 0.50 -0.07 0.00 0.00 0.00 178.15 178.79 1jjs h LEU 29 N 0.47 0.49 -1.49 1.44 3.38 -1.10 0.16 115.31 118.66 1jjs h LEU 29 Ca 0.01 0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.19 1jjs h LEU 29 Cb 1.08 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.68 1jjs h LEU 29 CO 0.10 0.27 0.57 0.07 0.09 0.00 0.00 178.44 179.54 1jjs h LYS 30 N 0.53 0.44 0.39 1.13 5.09 -0.05 0.25 116.57 124.34 1jjs h LYS 30 Ca 0.37 -0.03 -0.02 0.00 0.09 0.00 0.00 60.65 61.06 1jjs h LYS 30 Cb 0.69 -0.10 0.00 0.00 0.10 0.00 0.00 32.23 32.92 1jjs h LYS 30 CO -0.13 0.29 -0.19 0.77 -2.09 0.00 0.00 179.45 178.11 1jjs h SER 31 N 0.45 -0.44 0.00 7.07 0.02 -0.82 -3.48 113.55 116.36 1jjs h SER 31 Ca 0.45 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1jjs h SER 31 Cb 1.03 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1jjs h SER 31 CO -0.17 -0.16 0.00 -3.20 -1.14 0.00 0.00 176.83 172.16 1jjs n ASN 32 N -5.23 0.00 0.01 3.07 5.15 0.86 -4.99 115.26 114.12 1jjs n ASN 32 Ca -0.10 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 53.80 1jjs n ASN 32 Cb 0.27 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.46 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 2.94 -0.13 0.00 1.20 0.13 -1.85 -3.01 132.00 131.27 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 0.26 -0.07 -0.56 -0.23 0.00 0.00 178.00 177.40 1jjs h GLN 34 N -0.97 0.00 0.07 0.86 3.07 -1.94 -3.34 115.11 112.86 1jjs h GLN 34 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.72 1jjs h GLN 34 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.01 1jjs h GLN 34 CO 0.02 0.00 -0.03 -0.07 0.09 0.00 0.00 178.83 178.84 1jjs h LEU 35 N -0.45 -0.08 -1.56 0.06 3.38 -1.88 -2.96 115.31 111.82 1jjs h LEU 35 Ca 0.00 -0.55 0.06 0.00 0.09 0.00 0.00 57.88 57.48 1jjs h LEU 35 Cb 0.07 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1jjs h LEU 35 CO 0.00 0.60 0.39 -0.03 0.09 0.00 0.00 178.44 179.49 1jjs h MET 36 N -0.85 0.53 0.17 1.13 4.05 -1.84 -0.62 114.93 117.50 1jjs h MET 36 Ca -0.01 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 1jjs h MET 36 Cb 0.62 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.31 1jjs h MET 36 CO 0.01 0.35 -0.08 0.00 0.23 0.00 0.00 176.91 177.42 1jjs h ALA 37 N 1.69 -0.23 0.10 0.39 0.00 -1.61 -3.31 119.26 116.29 1jjs h ALA 37 Ca 0.25 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1jjs h ALA 37 Cb 0.31 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1jjs h ALA 37 CO -0.07 -0.41 -0.05 0.00 0.00 0.00 0.00 179.25 178.71 1jjs h ALA 38 N 0.03 -0.14 0.09 0.00 0.00 -1.30 -3.34 119.26 114.60 1jjs h ALA 38 Ca -0.02 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.51 1jjs h ALA 38 Cb 0.48 0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.35 1jjs h ALA 38 CO 0.04 -0.17 -0.72 0.27 0.00 0.00 0.00 179.25 178.67 1jjs h PHE 39 N -0.96 0.55 0.00 0.00 -5.15 -1.33 -3.28 116.94 106.77 1jjs h PHE 39 Ca -0.01 -0.36 -0.10 0.00 -0.20 0.00 0.00 57.97 57.29 1jjs h PHE 39 Cb 0.46 -0.04 -0.01 0.00 0.22 0.00 0.00 35.95 36.58 1jjs h PHE 39 CO 0.09 1.25 -0.50 -0.84 -2.00 0.00 0.00 178.31 176.31 1jjs h ILE 40 N -0.31 1.20 0.00 0.88 3.07 -1.67 -3.21 117.51 117.48 1jjs h ILE 40 Ca -0.12 -1.79 0.00 0.00 1.55 0.00 0.00 64.86 64.50 1jjs h ILE 40 Cb 1.52 2.01 0.00 0.00 -0.27 0.00 0.00 36.82 40.07 1jjs h ILE 40 CO 0.14 0.49 0.00 0.11 -1.05 0.00 0.00 178.15 177.83 1jjs h LYS 41 N 0.00 0.00 -0.01 0.16 1.79 -1.69 -2.65 116.57 114.17 1jjs h LYS 41 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1jjs h LYS 41 Cb 0.97 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.62 1jjs h LYS 41 CO 0.06 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.43 1jjs n GLN 42 N -3.04 2.09 0.00 3.15 10.64 -1.21 -4.57 117.38 124.44 1jjs n GLN 42 Ca 0.02 -2.09 0.00 0.00 -1.83 0.00 0.00 57.00 53.10 1jjs n GLN 42 Cb 0.38 -1.28 0.00 0.00 -0.86 0.00 0.00 30.24 28.48 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 -0.99 0.00 -0.29 2.61 0.00 -1.24 -4.89 116.66 111.87 1jjs n ARG 43 Ca 0.09 0.00 0.34 0.00 -0.00 0.00 0.00 57.85 58.28 1jjs n ARG 43 Cb 0.46 -0.09 0.73 0.00 -0.00 0.00 0.00 32.46 33.56 1jjs n ARG 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1jjs h THR 44 N 0.00 0.33 0.00 8.89 1.03 -1.62 -3.45 112.91 118.09 1jjs h THR 44 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1jjs h THR 44 Cb 0.00 0.37 0.00 0.00 -1.07 0.00 0.00 68.15 67.45 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 -2.68 0.00 0.29 0.00 0.00 -1.26 -4.73 120.51 112.14 1jjs n ALA 45 Ca 0.24 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.86 1jjs n ALA 45 Cb 1.25 0.00 0.90 0.00 0.00 0.00 0.00 19.45 21.60 1jjs n ALA 45 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1jjs h LYS 46 N 0.00 0.00 -5.70 0.00 2.10 -1.88 -3.45 116.57 107.64 1jjs h LYS 46 Ca 0.00 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 58.29 1jjs h LYS 46 Cb 0.00 0.00 -0.18 0.00 -0.90 0.00 0.00 32.23 31.15 1jjs h LYS 46 CO 0.00 0.00 -0.53 0.66 -2.00 0.00 0.00 179.45 177.58 1jjs n TYR 47 N -2.81 -0.68 -4.04 0.07 4.01 -1.25 -4.87 117.16 107.59 1jjs n TYR 47 Ca -0.01 0.38 -0.34 0.00 -0.16 0.00 0.00 57.90 57.77 1jjs n TYR 47 Cb 0.13 -1.26 -0.15 0.00 -0.31 0.00 0.00 39.34 37.75 1jjs n TYR 47 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1jjs s VAL 48 N -2.84 2.53 -0.06 -0.72 0.11 -1.26 -4.80 120.40 113.35 1jjs s VAL 48 Ca 0.30 -0.88 0.10 0.00 -2.93 0.00 0.00 61.98 58.57 1jjs s VAL 48 Cb -0.18 -2.15 0.18 0.00 -1.53 0.00 0.00 36.38 32.70 1jjs s VAL 48 CO 0.58 0.42 1.09 0.00 -3.33 0.00 0.00 175.10 173.86 1jjs n ALA 49 N 4.66 2.26 0.74 1.54 0.00 -1.26 -5.04 120.51 123.40 1jjs n ALA 49 Ca -0.19 -1.90 0.09 0.00 0.00 0.00 0.00 53.44 51.44 1jjs n ALA 49 Cb 0.49 -0.47 0.07 0.00 0.00 0.00 0.00 19.45 19.55 1jjs n ALA 49 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79