#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x93 s ARG 32 N 0.00 3.05 -0.20 -2.82 1.81 -1.26 -5.05 118.95 114.48 1x93 s ARG 32 Ca 0.00 -2.21 -0.36 0.00 -1.72 0.00 0.00 55.73 51.44 1x93 s ARG 32 Cb 0.00 -4.16 -0.12 0.00 -0.45 0.00 0.00 34.95 30.22 1x93 s ARG 32 CO 0.00 -1.25 1.92 0.00 -0.68 0.00 0.00 175.30 175.29 1x93 n ALA 33 N 4.27 0.67 -3.51 2.13 0.00 -1.26 -4.99 120.51 117.82 1x93 n ALA 33 Ca 0.04 0.22 -0.27 0.00 0.00 0.00 0.00 53.44 53.43 1x93 n ALA 33 Cb 0.43 -2.46 -0.14 0.00 0.00 0.00 0.00 19.45 17.28 1x93 n ALA 33 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1x93 s VAL 34 N 4.76 -0.11 -0.22 0.00 1.01 -1.26 -5.13 120.40 119.46 1x93 s VAL 34 Ca 0.98 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 62.15 1x93 s VAL 34 Cb -0.81 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 34.59 1x93 s VAL 34 CO 0.54 -0.71 -0.08 -0.55 0.00 0.00 0.00 175.10 174.31 1x93 s SER 35 N 2.06 4.05 0.37 3.32 0.15 -1.26 -5.11 113.70 117.28 1x93 s SER 35 Ca 0.10 -0.55 0.06 0.00 0.70 0.00 0.00 55.95 56.26 1x93 s SER 35 Cb -0.16 -1.67 -0.07 0.00 -1.71 0.00 0.00 66.02 62.41 1x93 s SER 35 CO -0.33 -0.04 0.02 -0.76 1.20 0.00 0.00 173.24 173.32 1x93 s LEU 36 N 1.41 2.63 -0.57 3.45 2.01 -1.26 -5.13 118.68 121.22 1x93 s LEU 36 Ca 0.04 -1.35 0.04 0.00 0.01 0.00 0.00 54.13 52.88 1x93 s LEU 36 Cb -0.14 -0.73 0.17 0.00 0.01 0.00 0.00 46.19 45.49 1x93 s LEU 36 CO -0.06 -0.48 0.42 -0.31 1.01 0.00 0.00 176.35 176.93 1x93 s TYR 37 N -2.90 2.47 0.88 0.29 2.02 -1.26 -5.11 117.35 113.74 1x93 s TYR 37 Ca 0.35 -2.88 -0.12 0.00 -0.37 0.00 0.00 57.07 54.05 1x93 s TYR 37 Cb 0.09 -1.92 0.12 0.00 -0.40 0.00 0.00 41.96 39.85 1x93 s TYR 37 CO 0.17 -0.67 1.13 -0.06 -1.57 0.00 0.00 175.55 174.54 1x93 s PHE 38 N -0.76 2.60 0.50 2.71 0.40 -1.26 -5.10 117.98 117.07 1x93 s PHE 38 Ca 0.28 0.93 0.03 0.00 -0.60 0.00 0.00 56.93 57.57 1x93 s PHE 38 Cb -0.02 -3.32 0.02 0.00 0.51 0.00 0.00 43.02 40.21 1x93 s PHE 38 CO -0.17 -2.20 0.70 -1.54 0.70 0.00 0.00 175.22 172.70 1x93 s SER 39 N -4.00 5.46 0.27 1.36 1.04 -1.26 -4.93 113.70 111.64 1x93 s SER 39 Ca 0.63 -0.08 -0.01 0.00 0.48 0.00 0.00 55.95 56.97 1x93 s SER 39 Cb -0.15 -0.92 0.52 0.00 0.10 0.00 0.00 66.02 65.58 1x93 s SER 39 CO 0.53 -0.97 1.79 0.44 0.98 0.00 0.00 173.24 176.02 1x93 h ASP 40 N 0.28 0.69 0.50 7.02 3.32 -1.99 -0.07 116.42 126.18 1x93 h ASP 40 Ca -0.42 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.67 1x93 h ASP 40 Cb 1.29 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1x93 h ASP 40 CO 0.51 0.33 -0.24 -0.33 -1.72 0.00 0.00 179.24 177.79 1x93 h GLU 41 N 0.77 -0.65 -0.87 3.56 4.39 -1.98 -0.92 114.58 118.88 1x93 h GLU 41 Ca 0.46 0.04 0.05 0.00 0.34 0.00 0.00 59.36 60.26 1x93 h GLU 41 Cb 0.56 0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 29.30 1x93 h GLU 41 CO -0.31 -0.40 0.55 1.96 -1.16 0.00 0.00 179.01 179.65 1x93 h GLN 42 N -0.74 1.00 -0.23 2.33 1.08 -1.85 -0.63 115.11 116.08 1x93 h GLN 42 Ca -0.07 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.06 1x93 h GLN 42 Cb 0.55 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 1x93 h GLN 42 CO 0.11 0.66 0.08 -0.92 -0.95 0.00 0.00 178.83 177.82 1x93 h TYR 43 N 1.04 0.35 -0.44 2.96 3.20 -0.99 -2.60 116.97 120.49 1x93 h TYR 43 Ca 0.36 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.14 1x93 h TYR 43 Cb 0.09 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 1x93 h TYR 43 CO -0.02 0.40 0.01 1.96 -1.64 0.00 0.00 178.16 178.86 1x93 h GLN 44 N 0.20 0.71 -0.89 1.82 7.50 -0.75 0.16 115.11 123.87 1x93 h GLN 44 Ca 0.07 -0.18 0.01 0.00 0.50 0.00 0.00 58.65 59.06 1x93 h GLN 44 Cb 0.20 -0.09 -0.04 0.00 0.05 0.00 0.00 27.48 27.60 1x93 h GLN 44 CO -0.00 0.72 0.59 0.87 -1.50 0.00 0.00 178.83 179.51 1x93 h LYS 45 N 0.67 1.17 -0.41 1.46 6.56 -1.07 0.64 116.57 125.59 1x93 h LYS 45 Ca 0.14 -0.07 -0.05 0.00 -1.06 0.00 0.00 60.65 59.60 1x93 h LYS 45 Cb 0.41 -0.26 -0.02 0.00 -0.57 0.00 0.00 32.23 31.79 1x93 h LYS 45 CO 0.02 0.77 0.05 -0.07 -2.06 0.00 0.00 179.45 178.15 1x93 h LEU 46 N 1.20 0.67 -0.68 2.94 -0.00 -0.99 -2.23 115.31 116.23 1x93 h LEU 46 Ca 0.33 -0.28 0.04 0.00 -0.00 0.00 0.00 57.88 57.97 1x93 h LEU 46 Cb -0.14 -0.18 -0.05 0.00 -0.00 0.00 0.00 40.66 40.30 1x93 h LEU 46 CO -0.07 0.78 0.41 -0.08 -0.00 0.00 0.00 178.44 179.48 1x93 h GLU 47 N 0.54 0.76 0.00 1.13 4.57 -0.76 0.12 114.58 120.94 1x93 h GLU 47 Ca 0.12 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.20 1x93 h GLU 47 Cb 0.41 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 1x93 h GLU 47 CO 0.01 0.50 -0.25 0.87 -1.18 0.00 0.00 179.01 178.96 1x93 h LYS 48 N 0.79 0.00 -0.00 1.92 1.57 -0.73 -0.12 116.57 119.99 1x93 h LYS 48 Ca 0.28 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1x93 h LYS 48 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1x93 h LYS 48 CO -0.13 0.25 -0.01 0.52 -0.57 0.00 0.00 179.45 179.51 1x93 h MET 49 N 0.00 0.01 -0.11 3.15 2.86 -1.19 -3.37 114.93 116.29 1x93 h MET 49 Ca -0.00 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.66 1x93 h MET 49 Cb 0.57 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.23 1x93 h MET 49 CO 0.03 0.69 0.09 0.00 1.06 0.00 0.00 176.91 178.79 1x93 h ALA 50 N 0.32 1.91 -0.05 6.32 0.00 0.06 -0.71 119.26 127.11 1x93 h ALA 50 Ca -0.00 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1x93 h ALA 50 Cb 0.70 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1x93 h ALA 50 CO 0.00 -0.15 0.05 -0.97 0.00 0.00 0.00 179.25 178.19 1x93 h ASN 51 N 0.00 0.00 0.46 0.00 -0.00 -1.21 0.12 115.58 114.95 1x93 h ASN 51 Ca 0.05 0.00 -0.09 0.00 -0.00 0.00 0.00 56.30 56.26 1x93 h ASN 51 Cb 0.24 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.55 1x93 h ASN 51 CO -0.00 0.00 -0.45 -0.08 -0.00 0.00 0.00 177.43 176.90 1x93 h GLU 52 N 0.00 0.00 -0.11 6.67 4.81 -1.34 -2.46 114.58 122.15 1x93 h GLU 52 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1x93 h GLU 52 Cb 0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1x93 h GLU 52 CO -0.00 0.45 0.00 -1.91 -0.73 0.00 0.00 179.01 176.82 1x93 n GLU 53 N -3.99 1.93 -2.67 1.92 4.07 -0.38 -4.97 120.64 116.55 1x93 n GLU 53 Ca -0.02 -1.38 -0.08 0.00 -0.06 0.00 0.00 57.16 55.63 1x93 n GLU 53 Cb 0.47 -1.46 0.04 0.00 -0.06 0.00 0.00 31.44 30.44 1x93 n GLU 53 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1x93 n GLU 54 N 0.63 -3.04 -2.24 5.31 2.13 -0.34 -4.76 120.64 118.33 1x93 n GLU 54 Ca 0.17 0.39 -0.03 0.00 0.66 0.00 0.00 57.16 58.35 1x93 n GLU 54 Cb 0.43 -4.03 -0.02 0.00 0.27 0.00 0.00 31.44 28.09 1x93 n GLU 54 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1x93 n GLU 55 N -2.43 -3.85 -0.86 5.31 4.71 0.29 -4.93 120.64 118.88 1x93 n GLU 55 Ca -0.12 2.95 -0.00 0.00 -0.01 0.00 0.00 57.16 59.98 1x93 n GLU 55 Cb 0.57 -4.06 -0.01 0.00 -1.01 0.00 0.00 31.44 26.93 1x93 n GLU 55 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1x93 n SER 56 N 1.39 0.09 -4.68 1.62 3.41 -1.26 -5.00 113.62 109.19 1x93 n SER 56 Ca -0.20 -1.78 -0.47 0.00 -0.26 0.00 0.00 58.87 56.17 1x93 n SER 56 Cb 0.31 -0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 64.12 1x93 n SER 56 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1x93 n VAL 57 N 0.13 0.48 0.00 -3.33 0.31 -1.26 -1.68 118.33 112.98 1x93 n VAL 57 Ca -0.03 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1x93 n VAL 57 Cb 0.77 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 1x93 n VAL 57 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1x93 n GLY 58 N 4.23 2.95 0.22 2.92 0.00 -1.26 -4.80 105.19 109.44 1x93 n GLY 58 Ca 0.21 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 1x93 n GLY 58 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x93 h SER 59 N 0.00 0.65 -0.82 1.61 0.87 -1.77 -2.60 113.55 111.49 1x93 h SER 59 Ca 0.00 -0.21 0.09 0.00 -1.23 0.00 0.00 61.79 60.44 1x93 h SER 59 Cb 0.00 -0.17 -0.07 0.00 -0.44 0.00 0.00 62.40 61.72 1x93 h SER 59 CO 0.00 0.69 0.47 0.22 -0.53 0.00 0.00 176.83 177.68 1x93 h TYR 60 N 0.58 0.86 0.21 2.24 5.03 -1.70 0.66 116.97 124.85 1x93 h TYR 60 Ca 0.14 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.48 1x93 h TYR 60 Cb 0.27 -0.26 -0.01 0.00 1.55 0.00 0.00 36.73 38.28 1x93 h TYR 60 CO 0.01 0.36 -0.17 0.82 -1.32 0.00 0.00 178.16 177.87 1x93 h ILE 61 N 0.80 0.63 0.02 1.81 2.04 -1.81 -0.72 117.51 120.29 1x93 h ILE 61 Ca 0.39 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.25 1x93 h ILE 61 Cb 0.34 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1x93 h ILE 61 CO -0.24 0.00 -0.02 0.50 0.00 0.00 0.00 178.15 178.39 1x93 h LYS 62 N -0.39 -0.05 -0.84 2.37 3.64 -1.07 -2.88 116.57 117.37 1x93 h LYS 62 Ca -0.01 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.49 1x93 h LYS 62 Cb 0.35 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.12 1x93 h LYS 62 CO -0.02 -0.03 0.54 -0.09 -2.27 0.00 0.00 179.45 177.58 1x93 h ARG 63 N -0.05 0.70 -0.24 1.90 9.65 -0.66 -0.13 114.38 125.55 1x93 h ARG 63 Ca 0.00 -0.04 -0.10 0.00 -1.10 0.00 0.00 59.98 58.74 1x93 h ARG 63 Cb 0.05 -0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 28.47 1x93 h ARG 63 CO -0.01 0.46 -0.24 -0.92 2.80 0.00 0.00 179.97 182.06 1x93 h TYR 64 N 0.72 0.71 -0.78 2.20 5.03 -0.99 0.81 116.97 124.67 1x93 h TYR 64 Ca 0.40 -0.21 0.00 0.00 2.58 0.00 0.00 58.73 61.49 1x93 h TYR 64 Cb 0.55 -0.15 -0.04 0.00 1.55 0.00 0.00 36.73 38.65 1x93 h TYR 64 CO -0.00 0.92 0.49 0.82 -1.32 0.00 0.00 178.16 179.07 1x93 h ILE 65 N 0.30 1.21 -0.33 1.81 1.08 -1.18 -0.15 117.51 120.26 1x93 h ILE 65 Ca 0.04 -0.44 -0.15 0.00 -0.39 0.00 0.00 64.86 63.92 1x93 h ILE 65 Cb 0.80 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.64 1x93 h ILE 65 CO 0.06 0.22 -0.38 -0.07 -0.69 0.00 0.00 178.15 177.28 1x93 h LEU 66 N 1.07 0.84 -0.62 1.44 4.07 -0.93 -0.31 115.31 120.87 1x93 h LEU 66 Ca 0.28 -0.38 -0.01 0.00 0.08 0.00 0.00 57.88 57.86 1x93 h LEU 66 Cb -0.07 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 41.40 1x93 h LEU 66 CO -0.06 1.13 0.35 0.50 -1.08 0.00 0.00 178.44 179.28 1x93 h LYS 67 N 0.65 0.85 -0.51 1.13 3.64 -0.60 -2.85 116.57 118.88 1x93 h LYS 67 Ca 0.06 -0.09 -0.11 0.00 -1.27 0.00 0.00 60.65 59.23 1x93 h LYS 67 Cb 0.94 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 1x93 h LYS 67 CO 0.09 0.63 -0.12 0.00 -2.27 0.00 0.00 179.45 177.78 1x93 h ALA 68 N 1.17 0.82 0.00 5.00 0.00 -0.83 -3.24 119.26 122.18 1x93 h ALA 68 Ca 0.22 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1x93 h ALA 68 Cb 0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1x93 h ALA 68 CO -0.04 0.66 -0.09 -0.07 0.00 0.00 0.00 179.25 179.71 1x93 h LEU 69 N 0.85 0.00 -2.03 0.00 4.07 -0.82 -0.31 115.31 117.08 1x93 h LEU 69 Ca 0.13 0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.16 1x93 h LEU 69 Cb 0.67 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.40 1x93 h LEU 69 CO 0.05 0.09 0.17 0.03 -1.08 0.00 0.00 178.44 177.70 1x93 h ARG 70 N 0.00 0.00 -0.16 1.13 2.47 -1.55 -3.36 114.38 112.91 1x93 h ARG 70 Ca -0.00 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.46 1x93 h ARG 70 Cb 0.17 0.00 -0.17 0.00 -1.65 0.00 0.00 29.97 28.32 1x93 h ARG 70 CO 0.01 0.00 -0.49 0.36 0.56 0.00 0.00 179.97 180.41 1x93 n LYS 71 N -4.40 1.05 -0.07 0.04 2.85 -0.39 -5.03 118.16 112.19 1x93 n LYS 71 Ca 0.03 -2.03 -0.07 0.00 -1.05 0.00 0.00 58.31 55.18 1x93 n LYS 71 Cb 0.32 -0.93 -0.01 0.00 -0.65 0.00 0.00 35.03 33.76 1x93 n LYS 71 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 177.40 178.17 1x93 h ILE 72 N 2.71 0.59 0.00 0.58 2.04 -1.28 -3.48 117.51 118.67 1x93 h ILE 72 Ca -0.11 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1x93 h ILE 72 Cb 1.12 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1x93 h ILE 72 CO 0.13 0.00 0.00 -0.62 0.00 0.00 0.00 178.15 177.66