#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q7y s LYS 2 N 0.00 1.24 0.52 1.61 -0.14 -1.26 -5.12 119.74 116.58 1q7y s LYS 2 Ca 0.00 -1.54 -0.09 0.00 -1.36 0.00 0.00 55.97 52.98 1q7y s LYS 2 Cb 0.00 -2.74 -0.05 0.00 -1.68 0.00 0.00 37.83 33.36 1q7y s LYS 2 CO 0.00 -0.93 0.89 -1.59 -0.76 0.00 0.00 175.35 172.96 1q7y s LYS 3 N 1.18 3.65 0.29 1.68 -2.85 -1.26 -5.10 119.74 117.33 1q7y s LYS 3 Ca 0.09 0.51 0.07 0.00 -1.00 0.00 0.00 55.97 55.65 1q7y s LYS 3 Cb -0.18 -2.25 -0.03 0.00 -2.06 0.00 0.00 37.83 33.30 1q7y s LYS 3 CO -0.14 -0.31 0.26 -1.54 0.10 0.00 0.00 175.35 173.72 1q7y s SER 4 N -3.86 5.48 0.46 0.03 1.04 -1.26 -4.89 113.70 110.70 1q7y s SER 4 Ca 0.52 -0.34 0.26 0.00 0.48 0.00 0.00 55.95 56.87 1q7y s SER 4 Cb -0.10 -1.23 1.29 0.00 0.10 0.00 0.00 66.02 66.07 1q7y s SER 4 CO 0.44 -0.19 1.81 0.50 0.98 0.00 0.00 173.24 176.78 1q7y h LYS 5 N 1.35 0.21 0.07 4.02 3.64 -1.99 0.90 116.57 124.77 1q7y h LYS 5 Ca -0.47 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1q7y h LYS 5 Cb 1.25 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1q7y h LYS 5 CO 0.59 0.14 -0.03 0.00 -2.27 0.00 0.00 179.45 177.88 1q7y h ALA 6 N 1.55 -0.09 -0.39 5.00 0.00 -1.99 -2.54 119.26 120.80 1q7y h ALA 6 Ca 0.54 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1q7y h ALA 6 Cb 1.70 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 1q7y h ALA 6 CO -0.15 -0.21 0.26 1.15 0.00 0.00 0.00 179.25 180.30 1q7y h THR 7 N -0.78 1.10 -0.36 0.00 2.02 -1.55 -0.38 112.91 112.96 1q7y h THR 7 Ca -0.01 -0.19 0.07 0.00 0.77 0.00 0.00 66.41 67.05 1q7y h THR 7 Cb 0.61 0.53 -0.07 0.00 -1.74 0.00 0.00 68.15 67.48 1q7y h THR 7 CO 0.02 0.10 -0.09 0.50 0.37 0.00 0.00 175.52 176.41 1q7y h LYS 8 N 0.53 -0.00 -0.60 6.66 3.64 0.71 0.66 116.57 128.16 1q7y h LYS 8 Ca 0.14 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.63 1q7y h LYS 8 Cb -0.06 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.68 1q7y h LYS 8 CO -0.03 -0.00 0.16 0.87 -2.27 0.00 0.00 179.45 178.17 1q7y h LYS 9 N -0.01 0.29 -0.23 1.90 1.57 -0.83 0.53 116.57 119.80 1q7y h LYS 9 Ca 0.17 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1q7y h LYS 9 Cb 0.27 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1q7y h LYS 9 CO -0.37 0.19 -0.02 0.00 -0.57 0.00 0.00 179.45 178.68 1q7y h ARG 10 N 0.30 0.42 -0.90 3.15 3.08 -0.51 -1.66 114.38 118.26 1q7y h ARG 10 Ca 0.31 -0.14 0.08 0.00 0.07 0.00 0.00 59.98 60.30 1q7y h ARG 10 Cb 0.45 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.40 1q7y h ARG 10 CO -0.38 0.62 0.55 -0.07 -1.07 0.00 0.00 179.97 179.63 1q7y h LEU 11 N 0.17 0.85 -0.97 3.04 3.38 -0.10 0.05 115.31 121.72 1q7y h LEU 11 Ca 0.06 0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.19 1q7y h LEU 11 Cb 0.45 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 40.97 1q7y h LEU 11 CO 0.02 0.51 0.60 0.00 0.09 0.00 0.00 178.44 179.65 1q7y h ALA 12 N 1.45 1.47 -0.41 1.53 0.00 -0.54 -1.12 119.26 121.64 1q7y h ALA 12 Ca 0.41 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.26 1q7y h ALA 12 Cb 0.28 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1q7y h ALA 12 CO -0.21 0.17 -0.12 -0.22 0.00 0.00 0.00 179.25 178.87 1q7y h LYS 13 N 0.93 0.80 -0.10 0.00 3.64 -0.08 -2.67 116.57 119.08 1q7y h LYS 13 Ca 0.49 -0.31 -0.08 0.00 -1.27 0.00 0.00 60.65 59.48 1q7y h LYS 13 Cb 0.52 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1q7y h LYS 13 CO -0.28 0.93 -0.29 -0.07 -2.27 0.00 0.00 179.45 177.48 1q7y h LEU 14 N 0.61 0.19 -0.56 5.20 3.38 -0.59 0.17 115.31 123.71 1q7y h LEU 14 Ca 0.10 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 1q7y h LEU 14 Cb 0.65 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1q7y h LEU 14 CO 0.04 0.48 -0.70 -0.78 0.09 0.00 0.00 178.44 177.57 1q7y h ASP 15 N 0.17 0.17 -0.21 -0.43 3.58 -1.10 -2.70 116.42 115.90 1q7y h ASP 15 Ca 0.02 -0.11 -0.19 0.00 0.42 0.00 0.00 57.03 57.17 1q7y h ASP 15 Cb 0.60 -0.05 0.01 0.00 1.72 0.00 0.00 39.33 41.61 1q7y h ASP 15 CO 0.04 0.81 -0.61 -1.13 -2.88 0.00 0.00 179.24 175.48 1q7y h ASN 16 N 0.10 0.89 0.19 2.28 -0.00 -0.99 -2.00 115.58 116.04 1q7y h ASN 16 Ca -0.02 -0.58 0.00 0.00 -0.00 0.00 0.00 56.30 55.70 1q7y h ASN 16 Cb 1.24 -0.26 0.00 0.00 -0.00 0.00 0.00 38.32 39.30 1q7y h ASN 16 CO 0.10 1.32 0.00 0.00 -0.00 0.00 0.00 177.43 178.85 1q7y n GLN 17 N -4.04 0.04 -0.35 6.67 6.02 0.53 -2.12 117.38 124.12 1q7y n GLN 17 Ca -0.06 0.31 0.05 0.00 -0.01 0.00 0.00 57.00 57.29 1q7y n GLN 17 Cb 0.66 -1.50 0.20 0.00 1.02 0.00 0.00 30.24 30.62 1q7y n GLN 17 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1q7y n ASN 18 N -1.41 2.90 -4.63 1.08 4.05 -0.75 -4.77 115.26 111.73 1q7y n ASN 18 Ca 0.02 -2.26 -0.25 0.00 0.45 0.00 0.00 54.58 52.55 1q7y n ASN 18 Cb 0.07 -0.44 0.11 0.00 1.23 0.00 0.00 39.78 40.75 1q7y n ASN 18 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1q7y s SER 19 N -0.72 4.24 0.32 1.20 1.04 -0.90 -4.89 113.70 113.99 1q7y s SER 19 Ca 0.29 -0.01 0.05 0.00 0.48 0.00 0.00 55.95 56.76 1q7y s SER 19 Cb 0.19 -0.39 -0.02 0.00 0.10 0.00 0.00 66.02 65.90 1q7y s SER 19 CO 0.14 -1.95 0.46 -0.60 0.98 0.00 0.00 173.24 172.27 1q7y s ARG 20 N -5.31 3.24 -0.07 4.02 3.52 -1.26 -4.94 118.95 118.14 1q7y s ARG 20 Ca 0.66 -0.83 -0.30 0.00 -0.13 0.00 0.00 55.73 55.13 1q7y s ARG 20 Cb -0.07 -2.80 -0.05 0.00 -1.56 0.00 0.00 34.95 30.47 1q7y s ARG 20 CO 0.46 0.14 1.64 0.08 -0.81 0.00 0.00 175.30 176.81 1q7y s VAL 21 N -2.17 3.62 0.29 7.11 1.01 -1.26 -4.93 120.40 124.07 1q7y s VAL 21 Ca 0.42 0.75 -0.29 0.00 0.00 0.00 0.00 61.98 62.86 1q7y s VAL 21 Cb -0.09 -3.50 -0.14 0.00 0.00 0.00 0.00 36.38 32.65 1q7y s VAL 21 CO 0.32 -0.08 1.09 -0.81 0.00 0.00 0.00 175.10 175.61 1q7y n PRO 22 N 7.16 1.50 -0.28 2.72 -0.04 -1.26 -4.84 135.00 139.95 1q7y n PRO 22 Ca 0.17 0.53 0.09 0.00 -0.04 0.00 0.00 63.50 64.25 1q7y n PRO 22 Cb 0.43 -1.95 0.24 0.00 -0.04 0.00 0.00 33.50 32.18 1q7y n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1q7y h ALA 23 N 2.30 1.20 0.00 0.55 0.00 -2.02 0.34 119.26 121.64 1q7y h ALA 23 Ca -0.41 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1q7y h ALA 23 Cb 1.33 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1q7y h ALA 23 CO 0.62 -0.30 0.00 0.11 0.00 0.00 0.00 179.25 179.68 1q7y h TRP 24 N 0.38 0.00 0.00 0.00 5.08 -2.00 -1.28 115.95 118.13 1q7y h TRP 24 Ca 0.48 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 60.38 1q7y h TRP 24 Cb 0.84 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.99 1q7y h TRP 24 CO -0.18 0.00 -0.50 0.28 -1.28 0.00 0.00 178.44 176.75 1q7y h VAL 25 N 0.00 0.45 -0.08 0.12 2.07 -0.63 -1.80 116.25 116.38 1q7y h VAL 25 Ca 0.00 -1.67 -0.04 0.00 0.82 0.00 0.00 66.70 65.82 1q7y h VAL 25 Cb 0.10 2.14 -0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1q7y h VAL 25 CO 0.00 0.26 -0.09 0.24 0.02 0.00 0.00 177.57 177.99 1q7y h MET 26 N 0.00 0.20 -0.16 1.57 2.86 -1.22 -1.10 114.93 117.08 1q7y h MET 26 Ca -0.02 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1q7y h MET 26 Cb 1.24 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.90 1q7y h MET 26 CO 0.03 0.65 0.07 -0.07 1.06 0.00 0.00 176.91 178.66 1q7y h LEU 27 N -0.24 0.22 -2.28 1.22 3.38 -1.59 -0.59 115.31 115.43 1q7y h LEU 27 Ca 0.01 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1q7y h LEU 27 Cb 0.62 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1q7y h LEU 27 CO 0.02 0.30 0.04 0.50 0.09 0.00 0.00 178.44 179.40 1q7y h LYS 28 N 0.11 0.00 -0.15 1.13 3.64 -1.21 -2.17 116.57 117.92 1q7y h LYS 28 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1q7y h LYS 28 Cb 0.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1q7y h LYS 28 CO -0.01 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.42 1q7y n THR 29 N -4.07 0.28 -4.04 1.00 -2.24 -0.43 -4.97 114.28 99.81 1q7y n THR 29 Ca -0.02 -0.64 -0.31 0.00 -2.27 0.00 0.00 64.05 60.81 1q7y n THR 29 Cb 0.14 1.10 -0.00 0.00 -2.10 0.00 0.00 70.33 69.47 1q7y n THR 29 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1q7y n ASP 30 N 0.92 -3.16 -1.64 3.42 8.00 -0.31 -5.05 116.55 118.73 1q7y n ASP 30 Ca 0.11 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.69 1q7y n ASP 30 Cb 0.43 -3.28 0.00 0.00 -0.02 0.00 0.00 41.12 38.25 1q7y n ASP 30 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1q7y n GLU 31 N -4.49 -4.70 0.00 -1.24 1.02 -0.71 -5.06 120.64 105.46 1q7y n GLU 31 Ca -0.03 3.50 0.00 0.00 -0.02 0.00 0.00 57.16 60.61 1q7y n GLU 31 Cb 0.55 -3.93 0.00 0.00 -0.02 0.00 0.00 31.44 28.04 1q7y n GLU 31 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1q7y n ARG 35 N -0.81 0.00 -3.49 3.49 1.74 -1.26 -5.04 116.66 111.29 1q7y n ARG 35 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 1q7y n ARG 35 Cb 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.36 1q7y n ARG 35 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1q7y s ASN 36 N 0.00 5.88 0.00 0.55 3.84 -1.26 -4.94 114.94 119.02 1q7y s ASN 36 Ca 0.00 -1.52 0.24 0.00 0.21 0.00 0.00 52.86 51.79 1q7y s ASN 36 Cb 0.00 -2.08 1.27 0.00 -0.55 0.00 0.00 41.25 39.89 1q7y s ASN 36 CO 0.00 -0.63 1.78 1.41 -2.79 0.00 0.00 177.10 176.87 1q7y n HIS 37 N 5.05 0.00 -0.64 0.43 8.25 -1.26 -3.06 115.22 123.99 1q7y n HIS 37 Ca -0.11 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.43 1q7y n HIS 37 Cb 0.43 -0.19 0.24 0.00 1.12 0.00 0.00 29.99 31.59 1q7y n HIS 37 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1q7y n LYS 38 N -1.19 3.11 -1.69 -0.41 5.02 -1.26 -5.00 118.16 116.75 1q7y n LYS 38 Ca 0.14 -2.58 -0.44 0.00 -2.02 0.00 0.00 58.31 53.40 1q7y n LYS 38 Cb 0.15 -1.66 -0.03 0.00 -0.02 0.00 0.00 35.03 33.47 1q7y n LYS 38 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1q7y n ARG 39 N 0.16 2.25 -3.85 1.97 1.74 -1.17 -4.87 116.66 112.88 1q7y n ARG 39 Ca 0.19 0.81 -0.29 0.00 -0.77 0.00 0.00 57.85 57.79 1q7y n ARG 39 Cb 0.74 -2.54 -0.16 0.00 -1.02 0.00 0.00 32.46 29.48 1q7y n ARG 39 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1q7y s ARG 40 N 0.12 1.23 0.32 5.56 3.52 -1.26 -5.10 118.95 123.34 1q7y s ARG 40 Ca 0.71 -0.62 -0.21 0.00 -0.13 0.00 0.00 55.73 55.49 1q7y s ARG 40 Cb -0.62 -2.20 -0.09 0.00 -1.56 0.00 0.00 34.95 30.48 1q7y s ARG 40 CO 0.44 -0.55 0.83 -1.58 -0.81 0.00 0.00 175.30 173.64 1q7y s HIS 41 N 1.64 3.52 0.30 5.12 5.65 -1.26 -4.96 115.29 125.29 1q7y s HIS 41 Ca -0.02 1.50 -0.00 0.00 0.25 0.00 0.00 55.06 56.79 1q7y s HIS 41 Cb -0.17 -2.73 0.46 0.00 -1.18 0.00 0.00 32.58 28.96 1q7y s HIS 41 CO -0.07 0.15 1.87 0.11 -0.65 0.00 0.00 174.74 176.15 1q7y h TRP 42 N 2.75 0.84 0.10 3.88 5.08 -2.01 -2.29 115.95 124.30 1q7y h TRP 42 Ca -0.48 -0.05 -0.32 0.00 1.08 0.00 0.00 58.89 59.11 1q7y h TRP 42 Cb 1.19 -0.26 -0.02 0.00 -3.00 0.00 0.00 29.16 27.07 1q7y h TRP 42 CO 0.62 0.66 -1.75 -0.09 -1.28 0.00 0.00 178.44 176.61 1q7y h ARG 43 N 0.81 0.22 -0.00 0.12 2.43 -2.05 -3.39 114.38 112.52 1q7y h ARG 43 Ca 0.19 -0.37 -0.15 0.00 -0.81 0.00 0.00 59.98 58.84 1q7y h ARG 43 Cb 0.20 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1q7y h ARG 43 CO -0.01 1.18 -0.70 0.00 -1.51 0.00 0.00 179.97 178.92 1q7y h ARG 44 N -0.21 0.01 0.00 0.20 2.47 -1.98 -3.46 114.38 111.41 1q7y h ARG 44 Ca -0.39 -0.01 -0.14 0.00 -1.26 0.00 0.00 59.98 58.18 1q7y h ARG 44 Cb 1.85 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 30.16 1q7y h ARG 44 CO 0.03 0.70 -0.06 0.09 0.56 0.00 0.00 179.97 181.29 1q7y n ASN 45 N -3.71 1.22 -3.67 7.04 3.02 -0.86 -4.99 115.26 113.31 1q7y n ASN 45 Ca -0.01 -1.47 -0.11 0.00 -0.03 0.00 0.00 54.58 52.96 1q7y n ASN 45 Cb 0.68 -0.04 -0.11 0.00 -0.61 0.00 0.00 39.78 39.70 1q7y n ASN 45 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1q7y s ASP 46 N -1.86 -0.04 1.05 6.41 -1.08 -1.26 -4.85 116.67 115.04 1q7y s ASP 46 Ca 0.10 0.79 -0.11 0.00 -0.52 0.00 0.00 52.55 52.81 1q7y s ASP 46 Cb -0.01 0.97 0.16 0.00 -1.46 0.00 0.00 42.92 42.58 1q7y s ASP 46 CO 0.06 -0.23 0.79 0.35 0.52 0.00 0.00 175.17 176.67 1q7y n THR 47 N 5.19 0.00 -2.64 1.71 -2.24 -1.26 -5.07 114.28 109.98 1q7y n THR 47 Ca -0.10 -0.52 -0.23 0.00 -2.27 0.00 0.00 64.05 60.93 1q7y n THR 47 Cb 0.50 -1.53 0.09 0.00 -2.10 0.00 0.00 70.33 67.30 1q7y n THR 47 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1q7y s ASP 48 N -3.86 4.54 0.00 3.42 -0.00 -1.26 -5.28 116.67 114.23 1q7y s ASP 48 Ca 0.47 -0.37 0.00 0.00 -0.00 0.00 0.00 52.55 52.65 1q7y s ASP 48 Cb -0.02 -0.09 0.00 0.00 -0.00 0.00 0.00 42.92 42.81 1q7y s ASP 48 CO 0.34 -1.72 0.00 -0.62 -0.00 0.00 0.00 175.17 173.17