#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cma s LYS 2 N 0.00 3.66 -0.05 1.61 -0.14 -1.26 -5.11 119.74 118.46 3cma s LYS 2 Ca 0.00 -0.51 -0.03 0.00 -1.36 0.00 0.00 55.97 54.07 3cma s LYS 2 Cb 0.00 -3.00 -0.04 0.00 -1.68 0.00 0.00 37.83 33.11 3cma s LYS 2 CO 0.00 0.14 0.12 -1.59 -0.76 0.00 0.00 175.35 173.26 3cma s LYS 3 N 0.64 3.27 0.80 1.68 -2.85 -1.26 -5.10 119.74 116.92 3cma s LYS 3 Ca -0.01 -0.33 -0.11 0.00 -1.00 0.00 0.00 55.97 54.52 3cma s LYS 3 Cb -0.14 -3.01 0.10 0.00 -2.06 0.00 0.00 37.83 32.71 3cma s LYS 3 CO 0.02 0.70 1.15 -1.54 0.10 0.00 0.00 175.35 175.79 3cma s SER 4 N -1.47 4.35 0.22 0.03 1.04 -1.26 -4.88 113.70 111.73 3cma s SER 4 Ca 0.20 0.57 -0.07 0.00 0.48 0.00 0.00 55.95 57.14 3cma s SER 4 Cb -0.12 -1.03 0.18 0.00 0.10 0.00 0.00 66.02 65.15 3cma s SER 4 CO 0.11 -1.96 1.79 0.50 0.98 0.00 0.00 173.24 174.65 3cma h LYS 5 N -1.02 1.17 -0.01 4.02 3.64 -1.99 -1.60 116.57 120.79 3cma h LYS 5 Ca -0.45 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 58.71 3cma h LYS 5 Cb 1.31 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3cma h LYS 5 CO 0.59 0.95 -0.01 0.00 -2.27 0.00 0.00 179.45 178.71 3cma h ALA 6 N 1.19 0.01 -0.87 5.00 0.00 -1.99 -1.53 119.26 121.07 3cma h ALA 6 Ca 0.26 -0.25 0.17 0.00 0.00 0.00 0.00 54.91 55.09 3cma h ALA 6 Cb 0.22 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.90 3cma h ALA 6 CO -0.02 -0.23 0.42 1.15 0.00 0.00 0.00 179.25 180.57 3cma h THR 7 N -0.47 0.64 -0.71 0.00 2.02 -1.92 0.16 112.91 112.62 3cma h THR 7 Ca 0.00 -0.19 -0.06 0.00 0.77 0.00 0.00 66.41 66.94 3cma h THR 7 Cb 0.51 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 3cma h THR 7 CO 0.00 0.10 0.22 0.50 0.37 0.00 0.00 175.52 176.71 3cma h LYS 8 N 0.54 1.11 -0.36 6.66 3.64 -1.13 0.17 116.57 127.20 3cma h LYS 8 Ca 0.50 -0.24 -0.02 0.00 -1.27 0.00 0.00 60.65 59.62 3cma h LYS 8 Cb 0.81 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 3cma h LYS 8 CO -0.42 0.95 0.15 0.87 -2.27 0.00 0.00 179.45 178.73 3cma h LYS 9 N 1.06 0.54 -0.51 1.90 1.57 0.30 0.27 116.57 121.70 3cma h LYS 9 Ca 0.23 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 3cma h LYS 9 Cb 0.31 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3cma h LYS 9 CO -0.01 0.51 0.13 0.00 -0.57 0.00 0.00 179.45 179.51 3cma h ARG 10 N 0.44 0.82 -0.99 3.15 3.08 -0.76 -0.77 114.38 119.35 3cma h ARG 10 Ca 0.12 -0.19 0.03 0.00 0.07 0.00 0.00 59.98 60.00 3cma h ARG 10 Cb 0.17 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.06 3cma h ARG 10 CO -0.01 0.78 0.65 -0.07 -1.07 0.00 0.00 179.97 180.25 3cma h LEU 11 N 0.71 1.10 -0.28 3.04 3.38 -0.44 -1.44 115.31 121.39 3cma h LEU 11 Ca 0.16 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3cma h LEU 11 Cb 0.33 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3cma h LEU 11 CO 0.00 0.77 0.16 0.00 0.09 0.00 0.00 178.44 179.46 3cma h ALA 12 N 1.39 0.35 -0.13 1.53 0.00 -0.43 -1.82 119.26 120.15 3cma h ALA 12 Ca 0.38 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.26 3cma h ALA 12 Cb -0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3cma h ALA 12 CO -0.10 -0.13 -0.08 -0.22 0.00 0.00 0.00 179.25 178.72 3cma h LYS 13 N 0.34 -0.07 -0.45 0.00 3.64 -0.53 -1.51 116.57 117.99 3cma h LYS 13 Ca 0.10 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.54 3cma h LYS 13 Cb 0.05 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 3cma h LYS 13 CO -0.02 -0.05 0.16 -0.07 -2.27 0.00 0.00 179.45 177.20 3cma h LEU 14 N -0.08 0.16 -1.61 5.20 3.38 -1.15 -0.11 115.31 121.11 3cma h LEU 14 Ca 0.08 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.15 3cma h LEU 14 Cb 0.19 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3cma h LEU 14 CO -0.18 0.12 0.33 -0.78 0.09 0.00 0.00 178.44 178.03 3cma h ASP 15 N 0.33 0.43 -0.07 -0.43 3.58 -0.89 -1.90 116.42 117.47 3cma h ASP 15 Ca 0.21 -0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.56 3cma h ASP 15 Cb 0.21 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.17 3cma h ASP 15 CO -0.22 0.29 -0.35 -1.13 -2.88 0.00 0.00 179.24 174.95 3cma h ASN 16 N 0.49 0.43 -0.09 2.28 -0.00 -0.05 -3.13 115.58 115.51 3cma h ASN 16 Ca 0.21 -0.65 -0.00 0.00 -0.00 0.00 0.00 56.30 55.86 3cma h ASN 16 Cb 0.22 -0.13 -0.01 0.00 -0.00 0.00 0.00 38.32 38.41 3cma h ASN 16 CO -0.06 1.01 0.05 1.56 -0.00 0.00 0.00 177.43 180.00 3cma h GLN 17 N -0.13 0.13 -3.42 6.67 4.20 -0.76 -3.26 115.11 118.56 3cma h GLN 17 Ca -0.02 -0.01 -0.39 0.00 0.06 0.00 0.00 58.65 58.28 3cma h GLN 17 Cb 1.00 -0.03 0.02 0.00 0.30 0.00 0.00 27.48 28.77 3cma h GLN 17 CO 0.07 0.10 2.68 -1.71 -0.67 0.00 0.00 178.83 179.30 3cma n ASN 18 N -4.51 5.13 -4.33 1.46 4.05 -0.74 -4.80 115.26 111.52 3cma n ASN 18 Ca -0.01 -2.33 -0.17 0.00 0.45 0.00 0.00 54.58 52.51 3cma n ASN 18 Cb 0.10 -1.12 -0.10 0.00 1.23 0.00 0.00 39.78 39.88 3cma n ASN 18 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 3cma s SER 19 N 3.35 1.34 0.77 1.20 1.04 -1.23 -4.95 113.70 115.22 3cma s SER 19 Ca 0.41 -1.36 -0.11 0.00 0.48 0.00 0.00 55.95 55.36 3cma s SER 19 Cb 0.11 0.13 0.06 0.00 0.10 0.00 0.00 66.02 66.41 3cma s SER 19 CO -0.03 -0.70 1.10 -0.60 0.98 0.00 0.00 173.24 173.99 3cma s ARG 20 N -4.01 2.21 -0.20 4.02 6.06 -1.26 -4.84 118.95 120.93 3cma s ARG 20 Ca 0.37 1.26 -0.29 0.00 -2.50 0.00 0.00 55.73 54.57 3cma s ARG 20 Cb 0.08 -1.89 0.00 0.00 0.06 0.00 0.00 34.95 33.21 3cma s ARG 20 CO 0.13 -1.69 1.04 0.08 -2.50 0.00 0.00 175.30 172.35 3cma s VAL 21 N -2.76 4.70 0.10 7.11 1.01 -1.26 -4.94 120.40 124.36 3cma s VAL 21 Ca 0.63 2.02 -0.35 0.00 0.00 0.00 0.00 61.98 64.29 3cma s VAL 21 Cb -0.19 -4.31 -0.18 0.00 0.00 0.00 0.00 36.38 31.71 3cma s VAL 21 CO 0.54 -0.13 1.00 -0.81 0.00 0.00 0.00 175.10 175.69 3cma n PRO 22 N 6.00 0.44 -0.15 2.72 -0.04 -1.26 -4.85 135.00 137.86 3cma n PRO 22 Ca 0.11 0.16 -0.03 0.00 -0.04 0.00 0.00 63.50 63.71 3cma n PRO 22 Cb 0.47 -1.56 0.06 0.00 -0.04 0.00 0.00 33.50 32.43 3cma n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3cma h ALA 23 N 2.81 0.55 -0.05 0.55 0.00 -2.02 -1.62 119.26 119.48 3cma h ALA 23 Ca -0.43 0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.59 3cma h ALA 23 Cb 1.40 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 3cma h ALA 23 CO 0.66 -0.30 0.09 0.11 0.00 0.00 0.00 179.25 179.81 3cma h TRP 24 N 0.24 0.00 0.00 0.00 5.08 -2.01 0.85 115.95 120.11 3cma h TRP 24 Ca 0.24 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 60.11 3cma h TRP 24 Cb 0.32 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.46 3cma h TRP 24 CO -0.22 0.00 -0.49 0.28 -1.28 0.00 0.00 178.44 176.73 3cma h VAL 25 N 0.00 1.17 0.09 0.12 2.07 -1.63 -1.19 116.25 116.88 3cma h VAL 25 Ca 0.02 -1.79 -0.00 0.00 0.82 0.00 0.00 66.70 65.75 3cma h VAL 25 Cb 0.21 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 3cma h VAL 25 CO -0.00 0.48 -0.05 0.24 0.02 0.00 0.00 177.57 178.26 3cma h MET 26 N 0.00 -0.12 0.48 1.57 2.86 -0.85 -1.29 114.93 117.57 3cma h MET 26 Ca -0.00 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3cma h MET 26 Cb 0.98 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.67 3cma h MET 26 CO 0.06 0.01 -0.23 -0.07 1.06 0.00 0.00 176.91 177.74 3cma h LEU 27 N -0.23 -0.55 -0.47 1.22 3.38 -1.48 0.46 115.31 117.64 3cma h LEU 27 Ca -0.01 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.03 3cma h LEU 27 Cb 0.19 0.14 -0.09 0.00 0.09 0.00 0.00 40.66 40.98 3cma h LEU 27 CO 0.02 -0.33 -0.16 0.50 0.09 0.00 0.00 178.44 178.57 3cma h LYS 28 N -0.73 -0.05 -0.19 1.13 3.64 -1.18 0.84 116.57 120.03 3cma h LYS 28 Ca -0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3cma h LYS 28 Cb 0.54 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3cma h LYS 28 CO 0.11 -0.03 0.00 0.25 -2.27 0.00 0.00 179.45 177.51 3cma n THR 29 N -5.37 0.21 -3.91 1.00 -2.24 -0.49 -4.90 114.28 98.57 3cma n THR 29 Ca 0.04 -0.20 -0.33 0.00 -2.27 0.00 0.00 64.05 61.29 3cma n THR 29 Cb 0.28 0.06 0.01 0.00 -2.10 0.00 0.00 70.33 68.58 3cma n THR 29 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3cma n ASP 30 N -0.07 -4.53 -1.85 3.42 8.00 0.29 -5.03 116.55 116.77 3cma n ASP 30 Ca 0.05 -1.11 0.00 0.00 0.71 0.00 0.00 54.79 54.44 3cma n ASP 30 Cb 0.14 -1.59 0.00 0.00 -0.02 0.00 0.00 41.12 39.65 3cma n ASP 30 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3cma n ARG 31 N -3.53 -4.02 0.00 -1.24 1.74 0.15 -5.01 116.66 104.75 3cma n ARG 31 Ca -0.25 2.89 0.00 0.00 -0.77 0.00 0.00 57.85 59.72 3cma n ARG 31 Cb 0.65 -3.31 0.00 0.00 -1.02 0.00 0.00 32.46 28.78 3cma n ARG 31 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3cma n ARG 35 N 0.81 0.00 -2.89 5.56 1.74 -1.26 -4.99 116.66 115.63 3cma n ARG 35 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 3cma n ARG 35 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.40 3cma n ARG 35 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3cma s ASN 36 N 0.00 6.25 0.00 0.55 3.84 -1.26 -4.88 114.94 119.44 3cma s ASN 36 Ca 0.00 -1.22 0.01 0.00 0.21 0.00 0.00 52.86 51.86 3cma s ASN 36 Cb 0.00 -2.40 0.05 0.00 -0.55 0.00 0.00 41.25 38.35 3cma s ASN 36 CO 0.00 -1.34 0.26 1.41 -2.79 0.00 0.00 177.10 174.63 3cma n HIS 37 N 7.37 0.00 -0.57 0.43 8.25 -1.26 -1.84 115.22 127.60 3cma n HIS 37 Ca 0.01 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.48 3cma n HIS 37 Cb 0.46 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.58 3cma n HIS 37 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3cma n LYS 38 N -0.59 1.69 -1.66 -0.41 5.02 -1.26 -5.04 118.16 115.91 3cma n LYS 38 Ca 0.01 -1.31 -0.43 0.00 -2.02 0.00 0.00 58.31 54.56 3cma n LYS 38 Cb 0.00 -0.88 -0.03 0.00 -0.02 0.00 0.00 35.03 34.10 3cma n LYS 38 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3cma n ARG 39 N -0.43 2.64 -4.15 1.97 1.74 -0.77 -4.86 116.66 112.80 3cma n ARG 39 Ca 0.02 0.95 -0.24 0.00 -0.77 0.00 0.00 57.85 57.81 3cma n ARG 39 Cb 0.40 -2.96 -0.06 0.00 -1.02 0.00 0.00 32.46 28.83 3cma n ARG 39 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3cma s ARG 40 N 4.60 2.71 -0.07 5.56 3.52 -1.26 -5.07 118.95 128.93 3cma s ARG 40 Ca 0.91 -1.07 0.04 0.00 -0.13 0.00 0.00 55.73 55.48 3cma s ARG 40 Cb -0.48 -2.48 0.00 0.00 -1.56 0.00 0.00 34.95 30.43 3cma s ARG 40 CO 0.43 0.43 -0.19 -1.58 -0.81 0.00 0.00 175.30 173.58 3cma s HIS 41 N -1.97 2.07 0.28 5.12 5.65 -1.26 -4.98 115.29 120.19 3cma s HIS 41 Ca 0.31 -0.76 0.01 0.00 0.25 0.00 0.00 55.06 54.87 3cma s HIS 41 Cb -0.09 -1.41 0.64 0.00 -1.18 0.00 0.00 32.58 30.55 3cma s HIS 41 CO 0.22 -0.31 1.71 0.11 -0.65 0.00 0.00 174.74 175.83 3cma h TRP 42 N 6.62 0.60 0.00 3.88 5.08 -2.00 0.71 115.95 130.84 3cma h TRP 42 Ca -0.26 0.04 -0.06 0.00 1.08 0.00 0.00 58.89 59.68 3cma h TRP 42 Cb 1.20 -0.13 -0.01 0.00 -3.00 0.00 0.00 29.16 27.22 3cma h TRP 42 CO 0.46 -0.01 -0.44 -0.09 -1.28 0.00 0.00 178.44 177.08 3cma h ARG 43 N 0.42 0.00 -0.44 0.12 2.43 -2.05 -3.40 114.38 111.46 3cma h ARG 43 Ca 0.51 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.68 3cma h ARG 43 Cb 0.91 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.44 3cma h ARG 43 CO -0.49 0.61 0.26 0.00 -1.51 0.00 0.00 179.97 178.84 3cma h ARG 44 N -1.00 0.59 0.00 0.20 2.47 -1.95 -3.45 114.38 111.24 3cma h ARG 44 Ca -0.10 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.57 3cma h ARG 44 Cb 0.78 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.98 3cma h ARG 44 CO -0.06 0.44 0.00 0.09 0.56 0.00 0.00 179.97 181.00 3cma n ASN 45 N -4.74 0.00 -3.15 7.04 3.02 0.23 -4.96 115.26 112.71 3cma n ASN 45 Ca 0.01 -0.38 0.04 0.00 -0.03 0.00 0.00 54.58 54.22 3cma n ASN 45 Cb 0.06 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.22 3cma n ASN 45 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3cma s ASP 46 N -1.00 -1.42 0.99 6.41 -1.08 -1.26 -4.85 116.67 114.46 3cma s ASP 46 Ca 0.00 0.74 0.00 0.00 -0.52 0.00 0.00 52.55 52.77 3cma s ASP 46 Cb 0.00 2.13 0.00 0.00 -1.46 0.00 0.00 42.92 43.59 3cma s ASP 46 CO 0.00 -0.26 0.00 0.35 0.52 0.00 0.00 175.17 175.78 3cma n THR 47 N 5.43 0.00 -3.23 1.71 -2.24 -1.26 -5.04 114.28 109.65 3cma n THR 47 Ca 0.00 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.57 3cma n THR 47 Cb 0.52 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 3cma n THR 47 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3cma s ASP 48 N -1.64 5.88 0.00 3.42 -0.00 -1.26 -5.28 116.67 117.79 3cma s ASP 48 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 52.55 52.57 3cma s ASP 48 Cb 0.00 -1.34 0.00 0.00 -0.00 0.00 0.00 42.92 41.58 3cma s ASP 48 CO 0.00 -0.58 0.00 -0.62 -0.00 0.00 0.00 175.17 173.97