#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k7y n SER 38 N 0.00 0.00 -0.32 1.61 7.64 -1.26 -4.76 113.62 116.53 2k7y n SER 38 Ca 0.00 0.00 0.21 0.00 1.01 0.00 0.00 58.87 60.09 2k7y n SER 38 Cb 0.00 0.00 0.48 0.00 -1.01 0.00 0.00 64.21 63.68 2k7y n SER 38 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2k7y h ILE 39 N 0.00 0.57 -0.05 0.44 2.04 -2.03 1.61 117.51 120.09 2k7y h ILE 39 Ca 0.00 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.72 2k7y h ILE 39 Cb 0.00 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.15 2k7y h ILE 39 CO 0.00 0.08 0.27 0.44 0.00 0.00 0.00 178.15 178.95 2k7y h ASP 40 N 0.46 0.00 0.02 1.72 5.19 -1.92 0.12 116.42 122.00 2k7y h ASP 40 Ca 0.58 0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 56.62 2k7y h ASP 40 Cb 1.37 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.81 2k7y h ASP 40 CO -0.31 0.00 -2.39 0.54 -3.12 0.00 0.00 179.24 173.96 2k7y n ARG 41 N -3.08 0.68 -0.07 3.56 5.12 0.54 -3.68 116.66 119.72 2k7y n ARG 41 Ca -0.01 0.06 -0.10 0.00 -1.93 0.00 0.00 57.85 55.86 2k7y n ARG 41 Cb 0.34 -1.53 -0.07 0.00 -1.16 0.00 0.00 32.46 30.04 2k7y n ARG 41 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2k7y h LEU 42 N 0.00 -1.33 -0.69 0.55 5.85 0.56 0.23 115.31 120.49 2k7y h LEU 42 Ca -0.55 0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.29 2k7y h LEU 42 Cb 2.12 0.54 -0.03 0.00 0.37 0.00 0.00 40.66 43.65 2k7y h LEU 42 CO -0.01 -0.31 0.25 0.40 -0.34 0.00 0.00 178.44 178.43 2k7y h ILE 43 N -0.34 1.25 -1.15 4.05 2.04 -1.72 -1.51 117.51 120.14 2k7y h ILE 43 Ca 0.04 -0.81 0.33 0.00 1.00 0.00 0.00 64.86 65.43 2k7y h ILE 43 Cb 0.45 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 2k7y h ILE 43 CO -0.40 0.32 0.84 -0.78 0.00 0.00 0.00 178.15 178.13 2k7y h ASP 44 N 0.99 0.00 0.83 1.72 3.58 -1.22 1.94 116.42 124.25 2k7y h ASP 44 Ca 0.23 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 57.44 2k7y h ASP 44 Cb 0.24 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 2k7y h ASP 44 CO -0.01 0.00 -1.16 0.03 -2.88 0.00 0.00 179.24 175.22 2k7y h ARG 45 N 0.00 0.09 0.00 0.28 -0.00 0.46 1.03 114.38 116.24 2k7y h ARG 45 Ca 0.54 -0.15 -0.17 0.00 -0.50 0.00 0.00 59.98 59.70 2k7y h ARG 45 Cb 2.22 0.06 -0.03 0.00 0.00 0.00 0.00 29.97 32.22 2k7y h ARG 45 CO -0.01 1.03 -0.89 0.82 0.00 0.00 0.00 179.97 180.92 2k7y h ILE 46 N 0.02 1.28 -0.01 2.04 1.08 0.24 -3.24 117.51 118.92 2k7y h ILE 46 Ca -0.08 -2.86 0.00 0.00 -0.39 0.00 0.00 64.86 61.53 2k7y h ILE 46 Cb 1.86 2.62 0.00 0.00 -3.07 0.00 0.00 36.82 38.23 2k7y h ILE 46 CO 0.15 0.73 -0.30 1.07 -0.69 0.00 0.00 178.15 179.11 2k7y n THR 47 N -3.26 0.00 -0.50 -0.27 5.66 0.53 -4.51 114.28 111.94 2k7y n THR 47 Ca -0.01 -0.35 0.41 0.00 -3.05 0.00 0.00 64.05 61.05 2k7y n THR 47 Cb 0.87 1.24 0.68 0.00 -1.55 0.00 0.00 70.33 71.56 2k7y n THR 47 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2k7y n GLU 48 N 0.10 -0.03 0.03 1.09 0.28 0.36 0.23 120.64 122.70 2k7y n GLU 48 Ca 0.08 1.18 0.21 0.00 -0.16 0.00 0.00 57.16 58.47 2k7y n GLU 48 Cb 0.38 -2.38 0.59 0.00 1.43 0.00 0.00 31.44 31.46 2k7y n GLU 48 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 177.13 177.04 2k7y h ARG 49 N 0.00 0.00 0.01 3.44 -0.00 -1.82 1.33 114.38 117.33 2k7y h ARG 49 Ca 0.86 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 60.84 2k7y h ARG 49 Cb 2.89 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 32.86 2k7y h ARG 49 CO -0.37 0.00 -0.00 0.00 -0.00 0.00 0.00 179.97 179.59 2k7y h ALA 50 N 1.02 -0.19 0.00 0.08 0.00 0.26 -3.29 119.26 117.14 2k7y h ALA 50 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2k7y h ALA 50 Cb 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.54 2k7y h ALA 50 CO -0.00 -0.19 0.00 -0.85 0.00 0.00 0.00 179.25 178.22 2k7y n GLU 51 N -2.13 0.13 0.00 0.00 0.00 -0.57 0.23 120.64 118.29 2k7y n GLU 51 Ca -0.00 0.63 0.06 0.00 0.00 0.00 0.00 57.16 57.85 2k7y n GLU 51 Cb 0.00 -1.94 0.26 0.00 0.00 0.00 0.00 31.44 29.76 2k7y n GLU 51 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2k7y n ASP 52 N -2.22 0.00 0.00 -1.84 9.92 0.45 -4.16 116.55 118.70 2k7y n ASP 52 Ca -0.01 0.43 0.00 0.00 -0.53 0.00 0.00 54.79 54.68 2k7y n ASP 52 Cb 0.04 -0.46 0.00 0.00 -0.64 0.00 0.00 41.12 40.06 2k7y n ASP 52 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2k7y n SER 53 N -1.46 0.00 0.00 -2.24 7.64 0.48 -5.04 113.62 113.00 2k7y n SER 53 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2k7y n SER 53 Cb 0.13 0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 2k7y n SER 53 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k7y n GLY 54 N -0.09 -0.92 0.62 0.23 0.00 0.61 -4.99 105.19 100.65 2k7y n GLY 54 Ca 0.00 0.76 0.47 0.00 0.00 0.00 0.00 46.02 47.25 2k7y n GLY 54 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k7y n ASN 55 N 0.00 0.04 -2.02 1.61 5.15 -0.67 0.76 115.26 120.13 2k7y n ASN 55 Ca 0.00 1.00 -0.14 0.00 -0.60 0.00 0.00 54.58 54.83 2k7y n ASN 55 Cb 0.00 -0.50 -0.09 0.00 -0.53 0.00 0.00 39.78 38.67 2k7y n ASN 55 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2k7y n GLU 56 N -3.94 1.90 0.00 1.20 1.02 -1.26 -1.85 120.64 117.71 2k7y n GLU 56 Ca 0.41 -1.22 0.00 0.00 -0.02 0.00 0.00 57.16 56.32 2k7y n GLU 56 Cb 1.79 -1.82 0.00 0.00 -0.02 0.00 0.00 31.44 31.39 2k7y n GLU 56 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2k7y n SER 57 N 1.67 0.86 -1.64 1.62 2.88 0.23 -4.92 113.62 114.32 2k7y n SER 57 Ca 0.35 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.88 2k7y n SER 57 Cb 0.72 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.18 2k7y n SER 57 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k7y n GLU 58 N -2.08 0.39 0.00 -1.46 1.02 -1.23 -5.04 120.64 112.24 2k7y n GLU 58 Ca 0.00 -1.76 0.00 0.00 -0.02 0.00 0.00 57.16 55.38 2k7y n GLU 58 Cb 0.16 0.01 0.00 0.00 -0.02 0.00 0.00 31.44 31.59 2k7y n GLU 58 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k7y n GLY 59 N -0.06 0.00 3.71 0.62 0.00 -0.77 -4.78 105.19 103.91 2k7y n GLY 59 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 2k7y n GLY 59 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k7y n ASP 60 N 0.00 -4.93 0.00 1.61 8.00 -1.26 -4.50 116.55 115.46 2k7y n ASP 60 Ca 0.00 -0.66 0.00 0.00 0.71 0.00 0.00 54.79 54.84 2k7y n ASP 60 Cb 0.00 -4.52 0.00 0.00 -0.02 0.00 0.00 41.12 36.58 2k7y n ASP 60 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2k7y n GLN 61 N -4.75 0.00 0.12 -1.24 -0.06 -1.26 -4.93 117.38 105.26 2k7y n GLN 61 Ca -0.03 0.00 0.19 0.00 -2.00 0.00 0.00 57.00 55.16 2k7y n GLN 61 Cb 0.57 0.00 0.69 0.00 -4.06 0.00 0.00 30.24 27.43 2k7y n GLN 61 CO 0.00 0.00 0.00 1.05 -0.20 0.00 0.00 177.06 177.91 2k7y h GLU 62 N 0.00 0.00 -1.00 3.69 4.11 -1.92 0.45 114.58 119.91 2k7y h GLU 62 Ca 0.00 0.00 0.24 0.00 0.07 0.00 0.00 59.36 59.67 2k7y h GLU 62 Cb 0.00 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.17 2k7y h GLU 62 CO 0.00 0.00 0.65 1.05 0.07 0.00 0.00 179.01 180.78 2k7y h GLU 63 N 0.00 0.41 0.00 1.06 4.11 -1.94 0.73 114.58 118.96 2k7y h GLU 63 Ca 0.18 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.58 2k7y h GLU 63 Cb 1.27 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2k7y h GLU 63 CO -0.00 0.27 0.00 1.47 0.07 0.00 0.00 179.01 180.82 2k7y n LEU 64 N -4.59 0.81 -0.11 3.06 -0.00 0.61 -4.60 117.00 112.18 2k7y n LEU 64 Ca 0.23 -0.81 -0.16 0.00 -0.00 0.00 0.00 56.01 55.27 2k7y n LEU 64 Cb 0.80 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 44.12 2k7y n LEU 64 CO 0.27 0.20 -1.20 -1.20 -0.00 0.00 0.00 177.39 175.46 2k7y n SER 65 N -0.09 2.23 0.00 1.45 7.64 0.12 -3.04 113.62 121.94 2k7y n SER 65 Ca 0.00 -0.05 0.14 0.00 1.01 0.00 0.00 58.87 59.97 2k7y n SER 65 Cb 0.17 -0.39 0.83 0.00 -1.01 0.00 0.00 64.21 63.81 2k7y n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k7y n ALA 66 N -3.27 2.63 -0.05 -0.43 0.00 0.25 -1.58 120.51 118.06 2k7y n ALA 66 Ca -0.38 -0.17 -0.10 0.00 0.00 0.00 0.00 53.44 52.78 2k7y n ALA 66 Cb 0.88 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 2k7y n ALA 66 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2k7y n LEU 67 N -0.95 0.93 0.30 0.00 7.99 -1.22 -2.36 117.00 121.69 2k7y n LEU 67 Ca 0.21 0.15 0.19 0.00 -0.01 0.00 0.00 56.01 56.55 2k7y n LEU 67 Cb 0.10 -0.37 0.89 0.00 -0.11 0.00 0.00 43.42 43.92 2k7y n LEU 67 CO 0.16 0.06 1.06 1.62 -1.51 0.00 0.00 177.39 178.78 2k7y h VAL 68 N -0.40 0.09 0.00 4.08 3.04 -1.60 -3.38 116.25 118.07 2k7y h VAL 68 Ca -0.22 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 2k7y h VAL 68 Cb 1.07 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 31.66 2k7y h VAL 68 CO -0.14 0.02 0.00 -0.62 -1.01 0.00 0.00 177.57 175.82 2k7y n GLU 69 N -3.16 0.00 -0.04 4.17 -0.58 -0.61 -5.05 120.64 115.36 2k7y n GLU 69 Ca -0.01 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.72 2k7y n GLU 69 Cb 0.21 -0.05 0.01 0.00 -0.57 0.00 0.00 31.44 31.04 2k7y n GLU 69 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2k7y n ARG 70 N -2.11 -0.89 0.00 3.49 5.12 -1.17 -4.95 116.66 116.15 2k7y n ARG 70 Ca 0.00 -0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.86 2k7y n ARG 70 Cb 0.00 -0.05 0.00 0.00 -1.16 0.00 0.00 32.46 31.25 2k7y n ARG 70 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k7y n GLY 71 N 2.70 0.19 0.28 -0.13 0.00 -0.99 -3.89 105.19 103.35 2k7y n GLY 71 Ca 0.00 -0.11 0.15 0.00 0.00 0.00 0.00 46.02 46.07 2k7y n GLY 71 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2k7y h HIS 72 N 0.00 0.00 -4.72 1.61 -0.00 -1.95 -3.46 115.15 106.62 2k7y h HIS 72 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 60.37 60.05 2k7y h HIS 72 Cb 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 27.41 27.52 2k7y h HIS 72 CO 0.00 0.08 -0.53 1.28 -0.00 0.00 0.00 177.93 178.75 2k7y n LEU 73 N -3.47 -3.05 -3.17 6.12 4.77 -1.26 -4.95 117.00 111.99 2k7y n LEU 73 Ca -0.02 -0.41 -0.22 0.00 -0.03 0.00 0.00 56.01 55.34 2k7y n LEU 73 Cb 0.21 -2.50 -0.05 0.00 -2.33 0.00 0.00 43.42 38.75 2k7y n LEU 73 CO 0.28 0.49 -0.16 0.00 -1.33 0.00 0.00 177.39 176.67 2k7y n ALA 74 N -4.37 2.71 0.01 -1.18 0.00 -1.26 -4.91 120.51 111.51 2k7y n ALA 74 Ca -0.00 -3.72 -0.19 0.00 0.00 0.00 0.00 53.44 49.53 2k7y n ALA 74 Cb 0.55 -0.87 -0.09 0.00 0.00 0.00 0.00 19.45 19.04 2k7y n ALA 74 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2k7y h PRO 75 N 3.33 0.67 -0.02 0.00 0.13 -1.96 0.19 132.00 134.35 2k7y h PRO 75 Ca 0.11 -0.65 -0.19 0.00 -0.87 0.00 0.00 66.00 64.39 2k7y h PRO 75 Cb 0.85 0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 2k7y h PRO 75 CO 0.57 1.25 -0.83 0.11 -0.23 0.00 0.00 178.00 178.87 2k7y h TRP 76 N 0.34 0.37 -1.49 1.56 0.09 -1.91 -3.21 115.95 111.70 2k7y h TRP 76 Ca -0.09 -0.19 -0.64 0.00 0.09 0.00 0.00 58.89 58.06 2k7y h TRP 76 Cb 1.51 -0.05 -0.37 0.00 0.08 0.00 0.00 29.16 30.33 2k7y h TRP 76 CO 0.11 0.97 -0.14 -3.47 0.09 0.00 0.00 178.44 176.00 2k7y n ASP 77 N -3.72 5.74 -0.30 0.11 2.03 -1.21 -4.74 116.55 114.45 2k7y n ASP 77 Ca -0.04 -3.76 -0.05 0.00 0.52 0.00 0.00 54.79 51.46 2k7y n ASP 77 Cb 0.77 -0.65 0.07 0.00 -0.72 0.00 0.00 41.12 40.60 2k7y n ASP 77 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 2k7y h VAL 78 N 2.24 1.26 -7.00 5.18 3.04 -0.62 -3.46 116.25 116.90 2k7y h VAL 78 Ca 0.41 -0.75 -0.61 0.00 -1.01 0.00 0.00 66.70 64.73 2k7y h VAL 78 Cb 0.77 0.23 -0.07 0.00 -2.01 0.00 0.00 31.29 30.20 2k7y h VAL 78 CO 1.05 0.32 -1.00 -0.67 -1.01 0.00 0.00 177.57 176.26 2k7y n ASP 79 N -4.31 -2.65 -2.72 3.17 2.03 -1.26 -3.40 116.55 107.41 2k7y n ASP 79 Ca 0.08 -1.30 -0.04 0.00 0.52 0.00 0.00 54.79 54.04 2k7y n ASP 79 Cb 0.15 -1.61 -0.04 0.00 -0.72 0.00 0.00 41.12 38.90 2k7y n ASP 79 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2k7y n ASP 80 N -2.35 -2.05 0.00 1.67 8.00 -1.26 -5.26 116.55 115.30 2k7y n ASP 80 Ca -0.17 1.26 0.00 0.00 0.71 0.00 0.00 54.79 56.59 2k7y n ASP 80 Cb 0.60 -4.38 0.00 0.00 -0.02 0.00 0.00 41.12 37.32 2k7y n ASP 80 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70