#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4s s LYS 2 N 0.00 4.02 0.30 1.61 -0.14 -1.26 -5.08 119.74 119.19 3g4s s LYS 2 Ca 0.00 -0.00 -0.09 0.00 -1.36 0.00 0.00 55.97 54.51 3g4s s LYS 2 Cb 0.00 -3.65 -0.07 0.00 -1.68 0.00 0.00 37.83 32.43 3g4s s LYS 2 CO 0.00 -0.25 0.63 -1.59 -0.76 0.00 0.00 175.35 173.38 3g4s s LYS 3 N 1.98 3.79 0.15 1.68 -2.85 -1.26 -5.11 119.74 118.13 3g4s s LYS 3 Ca 0.14 0.31 0.01 0.00 -1.00 0.00 0.00 55.97 55.43 3g4s s LYS 3 Cb -0.16 -2.56 0.03 0.00 -2.06 0.00 0.00 37.83 33.08 3g4s s LYS 3 CO 0.10 0.19 0.21 -1.13 0.10 0.00 0.00 175.35 174.82 3g4s n SER 4 N -0.62 0.41 -0.04 0.03 3.41 -1.26 -4.95 113.62 110.59 3g4s n SER 4 Ca 0.01 -1.31 -0.13 0.00 -0.26 0.00 0.00 58.87 57.18 3g4s n SER 4 Cb 0.53 -0.12 -0.07 0.00 -0.26 0.00 0.00 64.21 64.29 3g4s n SER 4 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3g4s h LYS 5 N 0.00 0.25 -0.39 4.33 3.64 -1.99 -2.50 116.57 119.91 3g4s h LYS 5 Ca -0.07 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.14 3g4s h LYS 5 Cb 0.29 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3g4s h LYS 5 CO 0.09 0.62 0.03 0.00 -2.27 0.00 0.00 179.45 177.92 3g4s h ALA 6 N 0.63 0.52 -0.43 5.00 0.00 -1.99 -1.77 119.26 121.21 3g4s h ALA 6 Ca 0.02 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.78 3g4s h ALA 6 Cb 0.55 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3g4s h ALA 6 CO 0.02 0.26 0.29 1.15 0.00 0.00 0.00 179.25 180.98 3g4s h THR 7 N 0.50 0.91 -0.00 0.00 2.02 -1.95 0.82 112.91 115.20 3g4s h THR 7 Ca 0.11 -0.09 -0.21 0.00 0.77 0.00 0.00 66.41 67.00 3g4s h THR 7 Cb 0.42 0.64 0.02 0.00 -1.74 0.00 0.00 68.15 67.48 3g4s h THR 7 CO 0.01 0.05 -0.82 0.50 0.37 0.00 0.00 175.52 175.63 3g4s h LYS 8 N 0.25 0.56 -0.53 6.66 3.64 -1.01 -2.10 116.57 124.04 3g4s h LYS 8 Ca 0.20 -0.60 -0.00 0.00 -1.27 0.00 0.00 60.65 58.98 3g4s h LYS 8 Cb 0.45 0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 3g4s h LYS 8 CO -0.04 1.22 0.33 0.87 -2.27 0.00 0.00 179.45 179.55 3g4s h LYS 9 N 0.14 0.71 0.20 1.90 1.57 -0.04 -1.08 116.57 119.97 3g4s h LYS 9 Ca -0.10 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 3g4s h LYS 9 Cb 1.50 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.66 3g4s h LYS 9 CO 0.16 0.49 -0.10 0.00 -0.57 0.00 0.00 179.45 179.44 3g4s h ARG 10 N 0.73 -0.26 -0.07 3.15 3.08 -1.14 -2.87 114.38 116.99 3g4s h ARG 10 Ca 0.19 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.28 3g4s h ARG 10 Cb -0.04 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 3g4s h ARG 10 CO -0.04 0.12 0.10 -0.07 -1.07 0.00 0.00 179.97 179.02 3g4s h LEU 11 N -0.90 0.00 -0.15 3.04 3.38 -1.18 -1.19 115.31 118.31 3g4s h LEU 11 Ca -0.03 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 3g4s h LEU 11 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 3g4s h LEU 11 CO 0.05 0.00 -0.24 0.00 0.09 0.00 0.00 178.44 178.33 3g4s h ALA 12 N 1.86 0.23 -0.51 1.53 0.00 -1.19 -3.01 119.26 118.17 3g4s h ALA 12 Ca 0.03 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 3g4s h ALA 12 Cb 0.24 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3g4s h ALA 12 CO -0.00 0.20 -0.13 -0.22 0.00 0.00 0.00 179.25 179.10 3g4s h LYS 13 N 0.05 0.99 0.00 0.00 3.64 -1.01 -2.83 116.57 117.40 3g4s h LYS 13 Ca 0.01 -0.38 -0.00 0.00 -1.27 0.00 0.00 60.65 59.01 3g4s h LYS 13 Cb 0.82 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.58 3g4s h LYS 13 CO 0.06 1.06 -0.00 -0.07 -2.27 0.00 0.00 179.45 178.22 3g4s h LEU 14 N 0.85 0.00 0.03 5.20 3.38 -1.38 0.12 115.31 123.52 3g4s h LEU 14 Ca 0.13 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.86 3g4s h LEU 14 Cb 0.70 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3g4s h LEU 14 CO 0.05 0.00 -1.17 -0.78 0.09 0.00 0.00 178.44 176.63 3g4s h ASP 15 N 0.00 0.10 1.67 -0.43 3.58 -1.36 -3.18 116.42 116.81 3g4s h ASP 15 Ca -0.00 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.33 3g4s h ASP 15 Cb 0.01 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.02 3g4s h ASP 15 CO 0.00 1.10 -0.08 0.78 -2.88 0.00 0.00 179.24 178.16 3g4s h ASN 16 N 0.02 0.00 1.07 2.28 -0.26 -0.74 -2.77 115.58 115.18 3g4s h ASN 16 Ca -0.08 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.65 3g4s h ASN 16 Cb 1.85 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.11 3g4s h ASN 16 CO 0.14 0.01 0.00 0.00 -1.06 0.00 0.00 177.43 176.51 3g4s n GLN 17 N -2.68 0.10 -0.17 0.81 6.02 -0.57 -2.87 117.38 118.02 3g4s n GLN 17 Ca 0.04 0.13 0.08 0.00 -0.01 0.00 0.00 57.00 57.24 3g4s n GLN 17 Cb 0.48 -1.62 0.24 0.00 1.02 0.00 0.00 30.24 30.36 3g4s n GLN 17 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3g4s n ASN 18 N -1.79 2.11 -4.83 1.08 2.85 -1.05 -4.75 115.26 108.89 3g4s n ASN 18 Ca 0.06 -1.92 -0.37 0.00 -0.11 0.00 0.00 54.58 52.24 3g4s n ASN 18 Cb 0.34 -0.23 -0.06 0.00 1.24 0.00 0.00 39.78 41.08 3g4s n ASN 18 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 3g4s s SER 19 N -1.18 6.96 0.83 1.20 0.01 -1.14 -4.96 113.70 115.42 3g4s s SER 19 Ca 0.29 1.22 -0.11 0.00 1.31 0.00 0.00 55.95 58.66 3g4s s SER 19 Cb 0.16 -2.34 0.09 0.00 0.21 0.00 0.00 66.02 64.13 3g4s s SER 19 CO 0.21 0.15 1.10 -0.60 0.41 0.00 0.00 173.24 174.51 3g4s s ARG 20 N -1.67 1.79 -0.13 12.44 3.52 -1.26 -4.96 118.95 128.67 3g4s s ARG 20 Ca 0.36 1.11 -0.29 0.00 -0.13 0.00 0.00 55.73 56.77 3g4s s ARG 20 Cb -0.17 -1.85 -0.03 0.00 -1.56 0.00 0.00 34.95 31.34 3g4s s ARG 20 CO 0.20 -1.95 1.41 0.08 -0.81 0.00 0.00 175.30 174.23 3g4s s VAL 21 N -2.88 4.02 0.45 7.11 1.01 -1.26 -4.96 120.40 123.89 3g4s s VAL 21 Ca 0.62 1.22 -0.24 0.00 0.00 0.00 0.00 61.98 63.59 3g4s s VAL 21 Cb -0.18 -3.81 -0.09 0.00 0.00 0.00 0.00 36.38 32.30 3g4s s VAL 21 CO 0.57 -0.13 1.12 -0.81 0.00 0.00 0.00 175.10 175.85 3g4s n PRO 22 N 6.85 1.53 -0.55 2.72 -0.04 -1.26 -4.88 135.00 139.37 3g4s n PRO 22 Ca 0.15 0.55 0.45 0.00 -0.04 0.00 0.00 63.50 64.62 3g4s n PRO 22 Cb 0.44 -2.21 0.78 0.00 -0.04 0.00 0.00 33.50 32.47 3g4s n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3g4s h ALA 23 N 1.62 3.50 0.00 0.55 0.00 -2.03 -1.32 119.26 121.59 3g4s h ALA 23 Ca -0.46 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 3g4s h ALA 23 Cb 1.32 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 3g4s h ALA 23 CO 0.57 -1.99 -0.47 0.11 0.00 0.00 0.00 179.25 177.48 3g4s h TRP 24 N 0.01 0.00 0.00 0.00 5.08 -1.99 -3.23 115.95 115.82 3g4s h TRP 24 Ca 0.80 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 60.71 3g4s h TRP 24 Cb 3.13 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 29.28 3g4s h TRP 24 CO -0.00 0.47 -0.30 0.28 -1.28 0.00 0.00 178.44 177.60 3g4s h VAL 25 N 0.00 0.92 -0.24 0.12 2.07 -1.59 -1.04 116.25 116.50 3g4s h VAL 25 Ca -0.00 -1.17 -0.19 0.00 0.82 0.00 0.00 66.70 66.16 3g4s h VAL 25 Cb 1.32 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 3g4s h VAL 25 CO 0.06 0.30 -0.60 0.24 0.02 0.00 0.00 177.57 177.59 3g4s h MET 26 N 0.00 0.78 0.00 1.57 2.86 -1.67 -1.44 114.93 117.03 3g4s h MET 26 Ca -0.00 -0.52 0.00 0.00 -2.06 0.00 0.00 59.70 57.12 3g4s h MET 26 Cb 0.67 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.40 3g4s h MET 26 CO 0.04 1.15 -0.05 -0.07 1.06 0.00 0.00 176.91 179.04 3g4s h LEU 27 N 0.58 0.00 0.07 1.22 3.38 -1.51 0.55 115.31 119.59 3g4s h LEU 27 Ca -0.00 -0.01 -0.36 0.00 0.09 0.00 0.00 57.88 57.60 3g4s h LEU 27 Cb 1.19 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 3g4s h LEU 27 CO 0.13 0.01 -2.09 1.17 0.09 0.00 0.00 178.44 177.74 3g4s n LYS 28 N -2.42 0.71 0.00 1.13 4.81 -0.43 -4.15 118.16 117.80 3g4s n LYS 28 Ca 0.05 0.22 0.13 0.00 -0.87 0.00 0.00 58.31 57.84 3g4s n LYS 28 Cb 0.45 -1.67 0.33 0.00 0.02 0.00 0.00 35.03 34.16 3g4s n LYS 28 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3g4s n THR 29 N -3.30 0.00 -3.44 3.15 -2.24 -0.55 -4.95 114.28 102.94 3g4s n THR 29 Ca -0.33 -0.06 -0.20 0.00 -2.27 0.00 0.00 64.05 61.20 3g4s n THR 29 Cb 1.04 0.28 0.06 0.00 -2.10 0.00 0.00 70.33 69.61 3g4s n THR 29 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3g4s n ASP 30 N -1.13 -4.91 -1.64 3.42 8.00 -0.73 -5.07 116.55 114.50 3g4s n ASP 30 Ca 0.09 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.80 3g4s n ASP 30 Cb 0.34 -4.61 0.00 0.00 -0.02 0.00 0.00 41.12 36.83 3g4s n ASP 30 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3g4s n ARG 31 N -3.73 -4.60 0.00 -1.24 1.74 0.11 -5.04 116.66 103.90 3g4s n ARG 31 Ca -0.14 3.32 0.00 0.00 -0.77 0.00 0.00 57.85 60.26 3g4s n ARG 31 Cb 0.63 -3.66 0.00 0.00 -1.02 0.00 0.00 32.46 28.41 3g4s n ARG 31 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3g4s n ARG 35 N 0.35 0.00 -3.62 5.56 1.74 -1.26 -4.98 116.66 114.45 3g4s n ARG 35 Ca 0.00 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 3g4s n ARG 35 Cb 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.35 3g4s n ARG 35 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3g4s s ASN 36 N 0.00 6.14 0.01 0.55 3.84 -1.26 -4.99 114.94 119.23 3g4s s ASN 36 Ca 0.00 0.14 0.23 0.00 0.21 0.00 0.00 52.86 53.44 3g4s s ASN 36 Cb 0.00 -2.12 0.03 0.00 -0.55 0.00 0.00 41.25 38.61 3g4s s ASN 36 CO 0.00 0.03 1.06 1.41 -2.79 0.00 0.00 177.10 176.81 3g4s n HIS 37 N 4.42 0.04 -1.30 0.43 8.25 -1.26 -4.11 115.22 121.68 3g4s n HIS 37 Ca -0.14 0.01 -0.19 0.00 -0.26 0.00 0.00 57.72 57.14 3g4s n HIS 37 Cb 0.52 -0.15 0.18 0.00 1.12 0.00 0.00 29.99 31.66 3g4s n HIS 37 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3g4s n LYS 38 N -1.59 2.14 -1.85 -0.41 5.02 -1.26 -4.97 118.16 115.23 3g4s n LYS 38 Ca 0.04 -3.07 -0.43 0.00 -2.02 0.00 0.00 58.31 52.83 3g4s n LYS 38 Cb 0.35 -2.08 -0.03 0.00 -0.02 0.00 0.00 35.03 33.26 3g4s n LYS 38 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3g4s s ARG 39 N -3.30 3.24 -0.03 1.97 0.52 -1.26 -4.75 118.95 115.34 3g4s s ARG 39 Ca 0.54 1.63 0.06 0.00 -0.52 0.00 0.00 55.73 57.44 3g4s s ARG 39 Cb 0.46 -4.27 -0.02 0.00 0.52 0.00 0.00 34.95 31.64 3g4s s ARG 39 CO 0.08 -1.97 -0.19 0.50 0.02 0.00 0.00 175.30 173.73 3g4s s ARG 40 N 5.95 2.31 0.06 3.54 3.52 -1.26 -5.06 118.95 128.02 3g4s s ARG 40 Ca 0.87 -0.81 0.06 0.00 -0.13 0.00 0.00 55.73 55.72 3g4s s ARG 40 Cb -0.26 -2.22 -0.04 0.00 -1.56 0.00 0.00 34.95 30.87 3g4s s ARG 40 CO 0.34 0.59 -0.10 -1.58 -0.81 0.00 0.00 175.30 173.74 3g4s s HIS 41 N -0.70 2.76 -0.61 5.12 5.65 -1.26 -5.00 115.29 121.27 3g4s s HIS 41 Ca 0.11 -0.13 0.23 0.00 0.25 0.00 0.00 55.06 55.52 3g4s s HIS 41 Cb -0.10 -1.49 0.92 0.00 -1.18 0.00 0.00 32.58 30.72 3g4s s HIS 41 CO 0.00 0.38 1.71 -2.67 -0.65 0.00 0.00 174.74 173.51 3g4s n TRP 42 N 1.08 0.72 -0.06 3.88 4.27 -1.26 -3.10 117.44 122.97 3g4s n TRP 42 Ca -0.14 0.26 -0.12 0.00 -3.89 0.00 0.00 57.50 53.61 3g4s n TRP 42 Cb 0.52 -0.92 -0.04 0.00 -1.36 0.00 0.00 31.31 29.51 3g4s n TRP 42 CO 0.00 0.00 0.00 -2.13 -2.29 0.00 0.00 177.69 173.27 3g4s n ARG 43 N -2.13 0.27 0.18 -2.67 0.63 -1.26 -4.79 116.66 106.89 3g4s n ARG 43 Ca 0.03 0.12 0.04 0.00 -0.92 0.00 0.00 57.85 57.12 3g4s n ARG 43 Cb 0.27 -0.96 0.35 0.00 0.45 0.00 0.00 32.46 32.56 3g4s n ARG 43 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3g4s h ARG 44 N -0.47 0.00 -6.21 -0.14 2.47 -2.00 -3.46 114.38 104.57 3g4s h ARG 44 Ca -0.27 0.00 -0.49 0.00 -1.26 0.00 0.00 59.98 57.96 3g4s h ARG 44 Cb 1.14 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.44 3g4s h ARG 44 CO -0.16 0.40 -0.34 -0.80 0.56 0.00 0.00 179.97 179.62 3g4s s ASN 45 N -6.59 5.10 -0.04 7.04 0.01 -1.18 -5.01 114.94 114.26 3g4s s ASN 45 Ca -0.01 -0.75 0.03 0.00 -0.71 0.00 0.00 52.86 51.42 3g4s s ASN 45 Cb 0.12 -0.46 0.01 0.00 0.41 0.00 0.00 41.25 41.33 3g4s s ASN 45 CO 0.70 -0.74 -0.12 -0.62 -1.51 0.00 0.00 177.10 174.81 3g4s s ASP 46 N -4.20 1.59 0.05 -1.22 -1.08 -1.26 -4.86 116.67 105.69 3g4s s ASP 46 Ca 0.49 -0.26 0.00 0.00 -0.52 0.00 0.00 52.55 52.26 3g4s s ASP 46 Cb -0.04 -0.56 0.00 0.00 -1.46 0.00 0.00 42.92 40.86 3g4s s ASP 46 CO 0.29 0.07 0.00 0.35 0.52 0.00 0.00 175.17 176.39 3g4s n THR 47 N 3.49 0.00 -2.41 1.71 -2.24 -1.26 -5.13 114.28 108.43 3g4s n THR 47 Ca -0.20 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.34 3g4s n THR 47 Cb 0.53 -1.08 0.07 0.00 -2.10 0.00 0.00 70.33 67.75 3g4s n THR 47 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3g4s s ASP 48 N -1.00 4.79 0.00 3.42 -0.00 -1.26 -5.28 116.67 117.34 3g4s s ASP 48 Ca 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 52.55 52.67 3g4s s ASP 48 Cb 0.00 -0.76 0.00 0.00 -0.00 0.00 0.00 42.92 42.16 3g4s s ASP 48 CO 0.00 -1.55 0.00 -0.62 -0.00 0.00 0.00 175.17 173.00