#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h7d s VAL 2 N 0.00 3.49 0.00 1.12 1.01 -1.26 -4.92 120.40 119.85 1h7d s VAL 2 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.04 1h7d s VAL 2 Cb 0.00 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1h7d s VAL 2 CO 0.00 0.07 0.00 0.00 0.00 0.00 0.00 175.10 175.17 1h7d n ALA 3 N 4.08 0.00 -0.05 5.51 0.00 -1.26 -5.05 120.51 123.75 1h7d n ALA 3 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1h7d n ALA 3 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1h7d n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h7d n ALA 4 N -3.00 -0.05 -3.68 0.00 0.00 -1.26 -4.84 120.51 107.68 1h7d n ALA 4 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1h7d n ALA 4 Cb 0.00 0.43 0.01 0.00 0.00 0.00 0.00 19.45 19.90 1h7d n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h7d n ALA 5 N -2.79 -2.62 0.35 0.00 0.00 -1.26 -4.87 120.51 109.32 1h7d n ALA 5 Ca 0.00 -0.04 -0.16 0.00 0.00 0.00 0.00 53.44 53.24 1h7d n ALA 5 Cb 0.00 -1.30 -0.08 0.00 0.00 0.00 0.00 19.45 18.08 1h7d n ALA 5 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1h7d h MET 6 N 0.61 -0.94 0.00 0.00 -1.53 -2.06 -3.48 114.93 107.54 1h7d h MET 6 Ca -0.61 0.06 0.00 0.00 -3.44 0.00 0.00 59.70 55.72 1h7d h MET 6 Cb 1.40 0.21 0.00 0.00 -0.55 0.00 0.00 31.60 32.67 1h7d h MET 6 CO 0.32 -0.63 0.00 -0.11 0.14 0.00 0.00 176.91 176.63 1h7d n LEU 7 N -4.92 -0.40 0.01 3.39 7.94 -1.26 -5.08 117.00 116.68 1h7d n LEU 7 Ca -0.12 0.19 0.00 0.00 -1.11 0.00 0.00 56.01 54.97 1h7d n LEU 7 Cb 0.41 0.58 0.00 0.00 0.53 0.00 0.00 43.42 44.94 1h7d n LEU 7 CO 0.28 -0.08 0.00 0.18 -1.11 0.00 0.00 177.39 176.66 1h7d n LEU 8 N -2.20 -0.17 0.02 -1.96 4.32 -1.26 -5.06 117.00 110.69 1h7d n LEU 8 Ca 0.00 0.09 0.00 0.00 -0.02 0.00 0.00 56.01 56.08 1h7d n LEU 8 Cb 0.00 0.32 0.00 0.00 -1.62 0.00 0.00 43.42 42.12 1h7d n LEU 8 CO 0.00 -0.10 0.00 -2.11 -1.22 0.00 0.00 177.39 173.96 1h7d n ARG 9 N -1.95 0.00 0.00 3.23 1.85 -1.26 -5.01 116.66 113.51 1h7d n ARG 9 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1h7d n ARG 9 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1h7d n ARG 9 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1h7d n SER 10 N -2.45 0.00 -1.35 2.89 2.88 -1.26 -4.88 113.62 109.45 1h7d n SER 10 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 1h7d n SER 10 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1h7d n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1h7d n PRO 12 N -2.57 -0.22 -0.01 0.00 -0.04 -1.26 -4.98 135.00 125.92 1h7d n PRO 12 Ca -0.01 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 1h7d n PRO 12 Cb 0.43 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.79 1h7d n PRO 12 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1h7d h VAL 13 N -1.06 1.36 0.37 0.52 2.07 -2.04 -3.35 116.25 114.11 1h7d h VAL 13 Ca 0.00 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.25 1h7d h VAL 13 Cb 0.00 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1h7d h VAL 13 CO 0.00 0.32 -0.18 -0.07 0.02 0.00 0.00 177.57 177.66 1h7d h LEU 14 N -0.59 -0.42 -2.65 2.57 3.38 -1.96 -3.48 115.31 112.17 1h7d h LEU 14 Ca -0.00 0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.78 1h7d h LEU 14 Cb 0.55 0.11 0.09 0.00 0.09 0.00 0.00 40.66 41.49 1h7d h LEU 14 CO 0.01 -0.21 -0.56 -0.24 0.09 0.00 0.00 178.44 177.52 1h7d n SER 15 N -3.79 -6.74 0.00 -0.43 2.88 -1.26 -4.91 113.62 99.37 1h7d n SER 15 Ca -0.06 -0.53 0.00 0.00 -1.33 0.00 0.00 58.87 56.95 1h7d n SER 15 Cb 0.19 -4.67 0.00 0.00 -0.75 0.00 0.00 64.21 58.99 1h7d n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1h7d n GLN 16 N -2.78 0.00 0.01 -1.46 1.13 -1.26 -5.03 117.38 107.99 1h7d n GLN 16 Ca -0.07 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.99 1h7d n GLN 16 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.92 1h7d n GLN 16 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1h7d n GLY 17 N -0.50 -1.59 0.00 1.08 0.00 -1.26 -5.15 105.19 97.77 1h7d n GLY 17 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.65 1h7d n GLY 17 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1h7d n PRO 18 N -2.75 -0.47 -0.78 1.61 -0.04 -1.26 -5.03 135.00 126.30 1h7d n PRO 18 Ca 0.00 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.48 1h7d n PRO 18 Cb 0.00 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.49 1h7d n PRO 18 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1h7d n THR 19 N -2.21 0.26 0.00 0.52 -1.04 -1.26 -4.91 114.28 105.65 1h7d n THR 19 Ca 0.00 -0.65 0.00 0.00 -2.04 0.00 0.00 64.05 61.36 1h7d n THR 19 Cb 0.00 0.56 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 1h7d n THR 19 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1h7d n GLY 20 N -0.02 0.00 3.12 3.41 0.00 -1.26 -5.00 105.19 105.44 1h7d n GLY 20 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 1h7d n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h7d n LEU 21 N 0.00 -4.95 0.02 0.99 4.77 -1.26 -4.93 117.00 111.63 1h7d n LEU 21 Ca 0.00 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 1h7d n LEU 21 Cb 0.00 -2.25 0.00 0.00 -2.33 0.00 0.00 43.42 38.84 1h7d n LEU 21 CO 0.00 -1.61 0.00 -0.11 -1.33 0.00 0.00 177.39 174.34 1h7d n LEU 22 N 0.55 -0.32 0.27 2.23 7.94 -1.26 -4.86 117.00 121.55 1h7d n LEU 22 Ca -0.00 0.09 0.15 0.00 -1.11 0.00 0.00 56.01 55.13 1h7d n LEU 22 Cb 0.43 0.58 0.77 0.00 0.53 0.00 0.00 43.42 45.73 1h7d n LEU 22 CO 0.31 -0.45 1.00 1.23 -1.11 0.00 0.00 177.39 178.37 1h7d h GLY 23 N 0.00 0.00 2.00 -3.96 0.00 -1.96 0.84 103.07 99.98 1h7d h GLY 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1h7d h GLY 23 CO 0.00 0.00 -0.00 1.70 0.00 0.00 0.00 176.54 178.24 1h7d h LYS 24 N 0.00 0.00 0.00 4.80 3.64 -1.99 -1.69 116.57 121.34 1h7d h LYS 24 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1h7d h LYS 24 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1h7d h LYS 24 CO 0.01 0.00 -1.53 0.28 -2.27 0.00 0.00 179.45 175.94 1h7d n VAL 25 N -2.55 0.00 -0.06 2.00 0.31 -0.09 -3.71 118.33 114.22 1h7d n VAL 25 Ca 0.05 -0.29 -0.04 0.00 -0.01 0.00 0.00 64.34 64.05 1h7d n VAL 25 Cb 0.47 0.43 -0.02 0.00 -0.91 0.00 0.00 33.84 33.81 1h7d n VAL 25 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1h7d h ALA 26 N 2.29 0.01 0.07 3.52 0.00 -0.81 -3.30 119.26 121.04 1h7d h ALA 26 Ca 0.00 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.57 1h7d h ALA 26 Cb 0.75 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1h7d h ALA 26 CO 0.00 0.33 -0.30 0.87 0.00 0.00 0.00 179.25 180.15 1h7d h LYS 27 N -1.00 -0.47 -1.12 0.00 1.79 -1.54 -0.26 116.57 113.97 1h7d h LYS 27 Ca -0.02 0.03 0.40 0.00 -2.18 0.00 0.00 60.65 58.89 1h7d h LYS 27 Cb 0.38 0.11 -0.15 0.00 -1.58 0.00 0.00 32.23 30.98 1h7d h LYS 27 CO -0.01 -0.31 0.66 0.00 -1.08 0.00 0.00 179.45 178.71 1h7d h THR 28 N -0.49 0.11 -0.40 -0.16 1.03 -1.76 1.39 112.91 112.64 1h7d h THR 28 Ca 0.04 -0.04 -0.12 0.00 -0.01 0.00 0.00 66.41 66.28 1h7d h THR 28 Cb 0.54 -0.00 -0.01 0.00 -1.07 0.00 0.00 68.15 67.61 1h7d h THR 28 CO -0.21 0.02 -0.24 0.22 -0.01 0.00 0.00 175.52 175.30 1h7d h TYR 29 N 0.11 1.00 -0.59 0.00 5.03 -1.15 0.43 116.97 121.80 1h7d h TYR 29 Ca 0.81 -0.26 0.17 0.00 2.58 0.00 0.00 58.73 62.03 1h7d h TYR 29 Cb 2.24 -0.23 -0.02 0.00 1.55 0.00 0.00 36.73 40.27 1h7d h TYR 29 CO -0.01 1.04 0.78 0.37 -1.32 0.00 0.00 178.16 179.03 1h7d h GLN 30 N 0.67 0.00 0.00 1.82 4.15 0.26 0.77 115.11 122.78 1h7d h GLN 30 Ca 0.08 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.29 1h7d h GLN 30 Cb 0.80 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.46 1h7d h GLN 30 CO 0.07 0.00 -1.78 0.34 -1.93 0.00 0.00 178.83 175.53 1h7d n PHE 31 N -3.35 0.00 -0.18 3.99 7.35 -1.04 -4.55 117.46 119.67 1h7d n PHE 31 Ca 0.12 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.90 1h7d n PHE 31 Cb 0.99 -0.52 0.39 0.00 0.35 0.00 0.00 39.48 40.70 1h7d n PHE 31 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1h7d h LEU 32 N -0.15 0.59 -1.67 -2.13 4.07 0.10 0.30 115.31 116.43 1h7d h LEU 32 Ca -0.32 0.01 0.24 0.00 0.08 0.00 0.00 57.88 57.89 1h7d h LEU 32 Cb 1.42 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 43.02 1h7d h LEU 32 CO -0.10 0.36 0.82 0.15 -1.08 0.00 0.00 178.44 178.59 1h7d h PHE 33 N 0.66 0.00 -1.99 1.13 3.04 0.29 -3.22 116.94 116.84 1h7d h PHE 33 Ca 0.34 0.00 -0.34 0.00 3.98 0.00 0.00 57.97 61.95 1h7d h PHE 33 Cb 0.44 0.00 -0.31 0.00 2.56 0.00 0.00 35.95 38.63 1h7d h PHE 33 CO -0.00 0.00 -0.66 -1.12 -2.02 0.00 0.00 178.31 174.51 1h7d s SER 34 N -4.56 1.25 -0.12 0.41 0.01 0.10 -4.96 113.70 105.82 1h7d s SER 34 Ca -0.04 -1.22 0.10 0.00 1.31 0.00 0.00 55.95 56.09 1h7d s SER 34 Cb 0.17 0.60 -0.14 0.00 0.21 0.00 0.00 66.02 66.85 1h7d s SER 34 CO 0.58 -0.31 0.02 2.30 0.41 0.00 0.00 173.24 176.24 1h7d n ILE 35 N 4.67 0.83 0.00 1.44 -5.35 -1.22 -4.90 119.36 114.83 1h7d n ILE 35 Ca 0.06 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 1h7d n ILE 35 Cb 0.46 -0.72 0.00 0.00 -1.74 0.00 0.00 39.64 37.64 1h7d n ILE 35 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1h7d n GLY 36 N 2.32 2.78 2.67 3.28 0.00 -1.26 -5.08 105.19 109.89 1h7d n GLY 36 Ca -0.20 -0.94 -0.04 0.00 0.00 0.00 0.00 46.02 44.84 1h7d n GLY 36 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1h7d n ARG 37 N -0.97 0.31 0.12 1.61 1.85 -1.26 -5.02 116.66 113.29 1h7d n ARG 37 Ca 0.00 -0.86 -0.13 0.00 -1.00 0.00 0.00 57.85 55.87 1h7d n ARG 37 Cb 0.00 -0.08 -0.08 0.00 -1.05 0.00 0.00 32.46 31.25 1h7d n ARG 37 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1h7d s PRO 39 N -4.37 4.26 0.00 0.00 0.04 -1.26 -4.91 135.00 128.76 1h7d s PRO 39 Ca -0.14 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.58 1h7d s PRO 39 Cb 0.02 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.85 1h7d s PRO 39 CO 0.54 -0.64 0.00 -0.89 0.04 0.00 0.00 177.00 176.05 1h7d n ILE 40 N 5.15 0.00 -0.36 0.56 2.08 -1.26 -4.87 119.36 120.66 1h7d n ILE 40 Ca 0.13 0.00 -0.11 0.00 0.56 0.00 0.00 62.75 63.33 1h7d n ILE 40 Cb 0.45 -0.17 -0.10 0.00 -0.75 0.00 0.00 39.64 39.08 1h7d n ILE 40 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1h7d h LEU 41 N 0.00 -2.08 0.00 1.39 4.07 -1.92 -3.44 115.31 113.33 1h7d h LEU 41 Ca 0.00 0.31 0.00 0.00 0.08 0.00 0.00 57.88 58.27 1h7d h LEU 41 Cb 0.00 0.91 0.00 0.00 1.08 0.00 0.00 40.66 42.65 1h7d h LEU 41 CO 0.00 -0.26 0.00 0.00 -1.08 0.00 0.00 178.44 177.10 1h7d n ALA 42 N -3.21 0.17 0.00 1.53 0.00 -1.26 -4.86 120.51 112.87 1h7d n ALA 42 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1h7d n ALA 42 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 1h7d n ALA 42 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1h7d n THR 43 N -2.73 0.00 -2.66 0.00 5.66 -1.26 -4.87 114.28 108.42 1h7d n THR 43 Ca 0.00 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.97 1h7d n THR 43 Cb 0.00 0.00 0.11 0.00 -1.55 0.00 0.00 70.33 68.89 1h7d n THR 43 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 1h7d n GLN 44 N -0.67 0.09 0.00 1.09 -0.06 -1.26 -5.00 117.38 111.57 1h7d n GLN 44 Ca 0.00 -0.64 0.00 0.00 -2.00 0.00 0.00 57.00 54.36 1h7d n GLN 44 Cb 0.00 -0.11 0.00 0.00 -4.06 0.00 0.00 30.24 26.07 1h7d n GLN 44 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1h7d n GLY 45 N 0.77 -0.66 3.78 1.69 0.00 -1.26 -5.16 105.19 104.36 1h7d n GLY 45 Ca -0.05 -1.23 -0.29 0.00 0.00 0.00 0.00 46.02 44.46 1h7d n GLY 45 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h7d s PRO 46 N -2.00 0.93 1.00 1.61 0.04 -1.26 -4.50 135.00 130.83 1h7d s PRO 46 Ca 0.00 0.21 -0.19 0.00 0.04 0.00 0.00 61.00 61.06 1h7d s PRO 46 Cb 0.00 -1.82 -0.11 0.00 0.04 0.00 0.00 34.50 32.60 1h7d s PRO 46 CO 0.00 -2.32 -0.76 0.25 0.04 0.00 0.00 177.00 174.21 1h7d n THR 47 N -3.84 0.00 -2.96 1.26 -2.24 -1.26 -4.10 114.28 101.14 1h7d n THR 47 Ca 0.08 -0.30 -0.08 0.00 -2.27 0.00 0.00 64.05 61.47 1h7d n THR 47 Cb 0.59 -0.15 0.01 0.00 -2.10 0.00 0.00 70.33 68.69 1h7d n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50