#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1occ n PRO 7 N 0.00 0.62 -2.66 0.00 -0.02 -1.26 -4.99 135.00 126.69 1occ n PRO 7 Ca 0.00 0.22 -0.23 0.00 -2.02 0.00 0.00 63.50 61.48 1occ n PRO 7 Cb 0.00 -1.74 0.03 0.00 -0.02 0.00 0.00 33.50 31.77 1occ n PRO 7 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 1occ s ASP 8 N 0.11 5.41 0.35 2.55 1.47 -1.26 -4.92 116.67 120.38 1occ s ASP 8 Ca 0.84 0.20 0.16 0.00 1.18 0.00 0.00 52.55 54.93 1occ s ASP 8 Cb -1.06 -1.17 1.18 0.00 -0.34 0.00 0.00 42.92 41.53 1occ s ASP 8 CO 0.52 -1.06 1.58 0.15 0.68 0.00 0.00 175.17 177.04 1occ h PHE 9 N 0.06 0.59 -0.13 2.11 3.04 -2.01 0.27 116.94 120.87 1occ h PHE 9 Ca -0.44 0.05 -0.18 0.00 3.98 0.00 0.00 57.97 61.38 1occ h PHE 9 Cb 1.28 -0.09 -0.00 0.00 2.56 0.00 0.00 35.95 39.70 1occ h PHE 9 CO 0.40 -0.46 -0.67 0.45 -2.02 0.00 0.00 178.31 176.01 1occ h HIS 10 N 0.01 0.67 -0.72 0.41 -0.00 -1.95 -1.34 115.15 112.22 1occ h HIS 10 Ca 0.78 -0.27 0.03 0.00 -0.00 0.00 0.00 60.37 60.91 1occ h HIS 10 Cb 1.96 -0.11 -0.04 0.00 -0.00 0.00 0.00 27.41 29.21 1occ h HIS 10 CO -0.15 1.03 0.46 -0.44 -0.00 0.00 0.00 177.93 178.83 1occ h ASP 11 N 0.37 0.75 0.08 2.45 3.32 -0.81 0.27 116.42 122.84 1occ h ASP 11 Ca -0.02 -0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.86 1occ h ASP 11 Cb 1.24 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.62 1occ h ASP 11 CO 0.12 0.52 -0.83 0.07 -1.72 0.00 0.00 179.24 177.41 1occ h LYS 12 N 0.89 0.17 0.00 3.56 2.10 -1.56 -3.41 116.57 118.33 1occ h LYS 12 Ca 0.29 -0.29 -0.18 0.00 -2.00 0.00 0.00 60.65 58.47 1occ h LYS 12 Cb 0.01 0.11 -0.03 0.00 -0.90 0.00 0.00 32.23 31.42 1occ h LYS 12 CO -0.11 1.14 -1.71 0.66 -2.00 0.00 0.00 179.45 177.43 1occ n TYR 13 N -4.23 0.62 -0.26 0.07 4.01 -0.51 -4.58 117.16 112.27 1occ n TYR 13 Ca -0.18 0.20 -0.03 0.00 -0.16 0.00 0.00 57.90 57.73 1occ n TYR 13 Cb 0.74 -0.97 -0.01 0.00 -0.31 0.00 0.00 39.34 38.79 1occ n TYR 13 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1occ n GLY 14 N 1.44 -1.46 0.28 2.72 0.00 0.94 -0.17 105.19 108.94 1occ n GLY 14 Ca -0.13 0.74 -0.10 0.00 0.00 0.00 0.00 46.02 46.52 1occ n GLY 14 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1occ h ASN 15 N 0.00 0.97 0.62 1.61 4.21 -1.81 -1.15 115.58 120.03 1occ h ASN 15 Ca 0.18 -0.36 -0.03 0.00 1.21 0.00 0.00 56.30 57.30 1occ h ASN 15 Cb 0.34 -0.27 0.00 0.00 -1.12 0.00 0.00 38.32 37.28 1occ h ASN 15 CO -0.63 1.14 -0.34 0.00 -1.29 0.00 0.00 177.43 176.31 1occ h ALA 16 N 0.93 -0.90 0.20 -0.83 0.00 -0.82 -1.31 119.26 116.53 1occ h ALA 16 Ca 0.11 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1occ h ALA 16 Cb 0.77 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1occ h ALA 16 CO 0.06 -1.01 -0.31 0.28 0.00 0.00 0.00 179.25 178.27 1occ h VAL 17 N -0.89 0.35 -0.48 0.00 2.07 -1.08 0.24 116.25 116.46 1occ h VAL 17 Ca -0.08 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.53 1occ h VAL 17 Cb 0.70 0.35 -0.10 0.00 -1.52 0.00 0.00 31.29 30.72 1occ h VAL 17 CO 0.11 0.00 -0.31 0.25 0.02 0.00 0.00 177.57 177.64 1occ h LEU 18 N -0.58 -1.05 0.62 2.57 5.85 -1.16 0.32 115.31 121.88 1occ h LEU 18 Ca 0.01 0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1occ h LEU 18 Cb 0.57 0.51 0.01 0.00 0.37 0.00 0.00 40.66 42.12 1occ h LEU 18 CO -0.13 -0.30 -0.30 0.00 -0.34 0.00 0.00 178.44 177.37 1occ h ALA 19 N 0.91 -0.93 -0.94 1.25 0.00 -0.89 0.14 119.26 118.80 1occ h ALA 19 Ca 0.20 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.01 1occ h ALA 19 Cb 0.53 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 1occ h ALA 19 CO -0.59 -0.87 0.59 0.66 0.00 0.00 0.00 179.25 179.04 1occ h SER 20 N -1.09 0.91 -0.00 0.00 4.64 -0.89 0.14 113.55 117.25 1occ h SER 20 Ca -0.09 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1occ h SER 20 Cb 0.64 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1occ h SER 20 CO 0.14 0.55 0.00 1.23 -0.87 0.00 0.00 176.83 177.89 1occ h GLY 21 N 1.03 0.00 1.37 -0.77 0.00 -0.38 -0.42 103.07 103.90 1occ h GLY 21 Ca 0.42 -0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.82 1occ h GLY 21 CO -0.20 0.00 0.27 0.00 0.00 0.00 0.00 176.54 176.61 1occ h ALA 22 N 0.80 2.06 0.06 3.60 0.00 0.00 -2.06 119.26 123.71 1occ h ALA 22 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1occ h ALA 22 Cb 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1occ h ALA 22 CO -0.00 -0.14 -0.03 1.15 0.00 0.00 0.00 179.25 180.23 1occ h THR 23 N 0.24 1.12 -0.47 0.00 2.02 -0.43 -3.11 112.91 112.28 1occ h THR 23 Ca 0.18 -1.57 0.09 0.00 0.77 0.00 0.00 66.41 65.88 1occ h THR 23 Cb 0.39 2.00 -0.08 0.00 -1.74 0.00 0.00 68.15 68.72 1occ h THR 23 CO -0.03 0.34 -0.04 0.15 0.37 0.00 0.00 175.52 176.31 1occ h PHE 24 N -0.90 -0.10 0.15 3.16 3.57 -0.84 -0.85 116.94 121.12 1occ h PHE 24 Ca -0.01 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1occ h PHE 24 Cb 0.61 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 1occ h PHE 24 CO 0.15 -0.14 -0.34 0.00 -2.23 0.00 0.00 178.31 175.75 1occ h VAL 26 N -0.53 0.78 0.57 0.00 3.04 -1.42 -1.73 116.25 116.94 1occ h VAL 26 Ca -0.02 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.65 1occ h VAL 26 Cb 0.51 0.90 0.01 0.00 -2.01 0.00 0.00 31.29 30.69 1occ h VAL 26 CO -0.14 0.00 -0.27 0.00 -1.01 0.00 0.00 177.57 176.14 1occ h ALA 27 N 1.88 -0.78 -0.77 3.17 0.00 -0.40 -2.79 119.26 119.58 1occ h ALA 27 Ca 0.09 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1occ h ALA 27 Cb 0.37 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1occ h ALA 27 CO -0.00 -0.72 0.51 0.28 0.00 0.00 0.00 179.25 179.32 1occ h VAL 28 N -1.18 1.18 -0.37 0.00 2.07 -0.80 -2.54 116.25 114.61 1occ h VAL 28 Ca -0.08 -0.35 -0.13 0.00 0.82 0.00 0.00 66.70 66.96 1occ h VAL 28 Cb 0.58 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1occ h VAL 28 CO 0.13 0.19 -0.29 -0.50 0.02 0.00 0.00 177.57 177.12 1occ h TRP 29 N 1.02 0.99 -0.80 1.57 4.06 -1.41 -1.98 115.95 119.40 1occ h TRP 29 Ca 0.29 -0.28 0.01 0.00 2.06 0.00 0.00 58.89 60.97 1occ h TRP 29 Cb -0.08 -0.22 -0.04 0.00 -1.00 0.00 0.00 29.16 27.83 1occ h TRP 29 CO -0.00 1.06 0.53 0.28 -3.56 0.00 0.00 178.44 176.75 1occ h VAL 30 N 0.64 1.21 0.70 1.49 2.07 -1.22 0.26 116.25 121.39 1occ h VAL 30 Ca 0.07 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 1occ h VAL 30 Cb 0.86 0.03 0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1occ h VAL 30 CO 0.08 0.20 -0.34 0.22 0.02 0.00 0.00 177.57 177.75 1occ h TYR 31 N 1.09 -0.87 -0.84 1.57 5.03 -1.31 -2.19 116.97 119.46 1occ h TYR 31 Ca 0.29 -0.02 0.16 0.00 2.58 0.00 0.00 58.73 61.74 1occ h TYR 31 Cb -0.12 0.29 -0.10 0.00 1.55 0.00 0.00 36.73 38.35 1occ h TYR 31 CO 0.00 -0.54 0.40 1.98 -1.32 0.00 0.00 178.16 178.68 1occ h MET 32 N -1.14 0.53 0.00 1.82 4.05 -1.03 1.23 114.93 120.39 1occ h MET 32 Ca -0.10 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.29 1occ h MET 32 Cb 0.72 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.40 1occ h MET 32 CO 0.16 0.35 0.00 0.00 0.23 0.00 0.00 176.91 177.65 1occ h ALA 33 N 1.58 1.00 0.00 0.39 0.00 -0.43 -3.36 119.26 118.43 1occ h ALA 33 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1occ h ALA 33 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1occ h ALA 33 CO -0.40 0.00 -0.47 0.25 0.00 0.00 0.00 179.25 178.63 1occ n THR 34 N -2.99 0.00 1.12 0.00 -2.24 0.50 -4.85 114.28 105.82 1occ n THR 34 Ca -0.01 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.84 1occ n THR 34 Cb 0.20 -0.51 0.42 0.00 -2.10 0.00 0.00 70.33 68.34 1occ n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1occ n GLN 35 N -2.25 0.56 -2.81 -0.78 1.13 0.39 -4.79 117.38 108.83 1occ n GLN 35 Ca 0.00 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.97 1occ n GLN 35 Cb 0.24 -1.39 -0.02 0.00 0.11 0.00 0.00 30.24 29.18 1occ n GLN 35 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 1occ n ILE 36 N -0.89 0.00 -0.75 5.09 -5.35 -1.25 -4.99 119.36 111.22 1occ n ILE 36 Ca 0.11 -0.76 -0.18 0.00 -0.27 0.00 0.00 62.75 61.64 1occ n ILE 36 Cb 0.05 0.21 0.07 0.00 -1.74 0.00 0.00 39.64 38.22 1occ n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1occ n GLY 37 N 2.30 4.12 3.71 3.28 0.00 -1.26 -4.97 105.19 112.36 1occ n GLY 37 Ca -0.05 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 1occ n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1occ s ILE 38 N -2.50 3.44 -0.61 -0.61 1.01 -1.26 -4.97 121.20 115.70 1occ s ILE 38 Ca 0.36 1.01 -0.17 0.00 0.00 0.00 0.00 60.65 61.85 1occ s ILE 38 Cb 0.29 -3.65 0.13 0.00 0.01 0.00 0.00 42.46 39.24 1occ s ILE 38 CO 0.02 0.06 0.64 -1.61 0.00 0.00 0.00 174.94 174.05 1occ s GLU 39 N 1.36 3.11 0.35 2.79 0.41 -1.26 -4.86 118.70 120.60 1occ s GLU 39 Ca 0.64 -1.64 0.18 0.00 -0.41 0.00 0.00 54.97 53.74 1occ s GLU 39 Cb -0.35 -4.33 0.39 0.00 -1.78 0.00 0.00 34.13 28.06 1occ s GLU 39 CO 0.30 -1.43 1.59 -1.49 -0.49 0.00 0.00 175.26 173.74 1occ h TRP 40 N 8.88 0.00 -6.40 1.61 4.06 -1.96 -3.48 115.95 118.66 1occ h TRP 40 Ca -0.23 0.00 -0.47 0.00 2.06 0.00 0.00 58.89 60.25 1occ h TRP 40 Cb 1.08 0.00 0.06 0.00 -1.00 0.00 0.00 29.16 29.31 1occ h TRP 40 CO 0.83 0.38 -0.96 -1.71 -3.56 0.00 0.00 178.44 173.42 1occ n ASN 41 N -3.30 -4.97 -4.65 -3.49 4.05 -1.26 -4.96 115.26 96.68 1occ n ASN 41 Ca 0.01 -1.09 -0.30 0.00 0.45 0.00 0.00 54.58 53.66 1occ n ASN 41 Cb 0.61 -2.97 0.17 0.00 1.23 0.00 0.00 39.78 38.82 1occ n ASN 41 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1occ s PRO 42 N -6.33 0.70 0.21 1.20 0.04 -1.26 -4.92 135.00 124.64 1occ s PRO 42 Ca 0.47 1.01 -0.32 0.00 0.04 0.00 0.00 61.00 62.20 1occ s PRO 42 Cb -0.19 -1.73 -0.12 0.00 0.04 0.00 0.00 34.50 32.50 1occ s PRO 42 CO 0.89 -2.68 1.73 0.45 0.04 0.00 0.00 177.00 177.43 1occ s SER 43 N -3.03 6.37 0.50 6.66 0.15 -1.26 -4.86 113.70 118.23 1occ s SER 43 Ca 0.65 2.88 0.26 0.00 0.70 0.00 0.00 55.95 60.45 1occ s SER 43 Cb -0.21 -2.60 1.28 0.00 -1.71 0.00 0.00 66.02 62.79 1occ s SER 43 CO 0.59 -0.98 1.99 1.55 1.20 0.00 0.00 173.24 177.59 1occ h PRO 44 N 6.73 0.00 -6.18 5.44 0.13 -1.97 -3.41 132.00 132.74 1occ h PRO 44 Ca -0.43 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.07 1occ h PRO 44 Cb 1.20 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 1occ h PRO 44 CO 0.95 0.16 1.19 1.55 -0.23 0.00 0.00 178.00 181.62 1occ n VAL 45 N -3.55 0.47 0.00 1.56 3.14 -1.26 -0.69 118.33 118.00 1occ n VAL 45 Ca -0.01 -0.17 0.00 0.00 -2.96 0.00 0.00 64.34 61.20 1occ n VAL 45 Cb 0.30 -1.86 0.00 0.00 -1.06 0.00 0.00 33.84 31.22 1occ n VAL 45 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1occ n GLY 46 N 4.95 3.13 0.06 7.55 0.00 -1.26 -4.80 105.19 114.82 1occ n GLY 46 Ca 0.27 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.23 1occ n GLY 46 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1occ n ARG 47 N -1.26 1.94 -4.14 1.61 1.85 0.13 -5.02 116.66 111.77 1occ n ARG 47 Ca 0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.50 1occ n ARG 47 Cb 0.00 -1.30 -0.08 0.00 -1.05 0.00 0.00 32.46 30.03 1occ n ARG 47 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1occ s VAL 48 N -2.28 4.86 -0.37 8.89 1.01 -0.03 -5.08 120.40 127.38 1occ s VAL 48 Ca -0.07 -0.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.74 1occ s VAL 48 Cb 0.04 -3.08 0.01 0.00 0.00 0.00 0.00 36.38 33.34 1occ s VAL 48 CO 0.46 0.61 0.26 -0.89 0.00 0.00 0.00 175.10 175.53 1occ s THR 49 N -0.89 5.15 0.14 3.92 2.01 -1.26 -4.87 115.64 119.84 1occ s THR 49 Ca 0.14 -0.50 -0.31 0.00 0.31 0.00 0.00 61.69 61.32 1occ s THR 49 Cb -0.12 -3.77 -0.11 0.00 0.01 0.00 0.00 72.50 68.52 1occ s THR 49 CO 0.03 -0.16 1.80 -2.16 -0.69 0.00 0.00 174.62 173.43 1occ s PRO 50 N 1.68 4.14 -0.02 4.92 0.04 -1.26 -5.02 135.00 139.48 1occ s PRO 50 Ca 0.05 2.59 -0.02 0.00 0.04 0.00 0.00 61.00 63.66 1occ s PRO 50 Cb -0.18 -3.46 -0.04 0.00 0.04 0.00 0.00 34.50 30.86 1occ s PRO 50 CO 0.10 -0.82 0.12 0.15 0.04 0.00 0.00 177.00 176.59 1occ s LYS 51 N 2.33 3.23 0.31 4.56 1.02 -1.26 -5.08 119.74 124.85 1occ s LYS 51 Ca 0.79 -0.40 -0.29 0.00 0.02 0.00 0.00 55.97 56.09 1occ s LYS 51 Cb -0.47 -2.97 -0.11 0.00 -0.52 0.00 0.00 37.83 33.76 1occ s LYS 51 CO 0.35 0.67 1.48 -2.00 -0.92 0.00 0.00 175.35 174.93 1occ s GLU 52 N -1.76 4.19 0.00 1.68 2.56 -1.26 -4.90 118.70 119.22 1occ s GLU 52 Ca 0.24 2.45 0.11 0.00 0.00 0.00 0.00 54.97 57.76 1occ s GLU 52 Cb -0.12 -3.04 0.16 0.00 2.00 0.00 0.00 34.13 33.13 1occ s GLU 52 CO 0.15 -0.48 0.99 -2.67 -0.56 0.00 0.00 175.26 172.68 1occ n TRP 53 N 1.59 0.16 -0.54 5.30 4.27 -1.26 -5.33 117.44 121.63 1occ n TRP 53 Ca 0.05 -0.17 0.00 0.00 -3.89 0.00 0.00 57.50 53.48 1occ n TRP 53 Cb 0.39 -0.01 0.00 0.00 -1.36 0.00 0.00 31.31 30.33 1occ n TRP 53 CO 0.00 0.00 0.00 -2.13 -2.29 0.00 0.00 177.69 173.27