#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q7y n GLY 2 N 0.00 -0.92 0.00 3.41 0.00 -1.26 -4.88 105.19 101.55 1q7y n GLY 2 Ca 0.00 -0.50 0.11 0.00 0.00 0.00 0.00 46.02 45.63 1q7y n GLY 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q7y n ALA 3 N -3.05 4.16 -1.28 4.61 0.00 -1.26 -3.84 120.51 119.84 1q7y n ALA 3 Ca 0.11 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1q7y n ALA 3 Cb 0.51 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1q7y n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q7y n GLY 4 N 1.49 0.75 0.27 0.00 0.00 -1.26 -4.55 105.19 101.90 1q7y n GLY 4 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 1q7y n GLY 4 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1q7y h THR 5 N 0.00 0.31 0.00 2.61 2.02 -2.00 -1.09 112.91 114.75 1q7y h THR 5 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1q7y h THR 5 Cb 0.00 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 66.72 1q7y h THR 5 CO 0.00 0.00 -0.01 1.55 0.37 0.00 0.00 175.52 177.43 1q7y h PRO 6 N -0.05 0.00 -0.01 6.66 0.13 -1.90 0.75 132.00 137.58 1q7y h PRO 6 Ca 0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.42 1q7y h PRO 6 Cb 0.50 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.63 1q7y h PRO 6 CO -0.67 0.01 -0.09 0.43 -0.23 0.00 0.00 178.00 177.45 1q7y n SER 7 N -3.12 0.86 -0.01 1.44 7.64 -0.43 -3.64 113.62 116.36 1q7y n SER 7 Ca -0.01 -1.01 0.13 0.00 1.01 0.00 0.00 58.87 58.99 1q7y n SER 7 Cb 0.21 0.01 0.41 0.00 -1.01 0.00 0.00 64.21 63.82 1q7y n SER 7 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1q7y n GLN 8 N -0.52 0.07 0.10 1.43 1.13 0.26 -3.97 117.38 115.87 1q7y n GLN 8 Ca 0.17 -0.03 -0.03 0.00 -1.94 0.00 0.00 57.00 55.17 1q7y n GLN 8 Cb 0.29 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.18 1q7y n GLN 8 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1q7y h GLY 9 N 5.00 0.00 1.02 1.08 0.00 -1.66 -3.26 103.07 105.25 1q7y h GLY 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1q7y h GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 1q7y n LYS 10 N -3.55 0.77 -2.12 4.80 5.02 -1.25 -4.62 118.16 117.21 1q7y n LYS 10 Ca -0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.86 1q7y n LYS 10 Cb 0.77 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 1q7y n LYS 10 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1q7y n LYS 11 N -1.01 3.13 -0.77 1.97 5.02 -1.23 -4.57 118.16 120.70 1q7y n LYS 11 Ca 0.19 -3.03 0.06 0.00 -2.02 0.00 0.00 58.31 53.50 1q7y n LYS 11 Cb 0.09 -3.23 0.15 0.00 -0.02 0.00 0.00 35.03 32.02 1q7y n LYS 11 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1q7y n ASN 12 N 6.03 1.55 -4.90 4.39 6.94 -1.26 -5.05 115.26 122.96 1q7y n ASN 12 Ca 0.48 -3.35 -0.34 0.00 -0.02 0.00 0.00 54.58 51.35 1q7y n ASN 12 Cb 0.40 -0.46 -0.05 0.00 -2.36 0.00 0.00 39.78 37.31 1q7y n ASN 12 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1q7y s THR 13 N -2.36 5.44 -0.15 5.53 2.01 -1.26 -5.09 115.64 119.76 1q7y s THR 13 Ca 0.36 -0.09 -0.04 0.00 0.31 0.00 0.00 61.69 62.22 1q7y s THR 13 Cb 0.36 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.32 1q7y s THR 13 CO -0.08 0.37 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.31 1q7y s THR 14 N -1.28 4.07 0.00 -0.82 2.01 -1.26 -4.95 115.64 113.41 1q7y s THR 14 Ca 0.26 -0.30 0.00 0.00 0.31 0.00 0.00 61.69 61.96 1q7y s THR 14 Cb -0.13 -2.78 0.00 0.00 0.01 0.00 0.00 72.50 69.60 1q7y s THR 14 CO 0.17 0.50 0.00 0.35 -0.69 0.00 0.00 174.62 174.95 1q7y n THR 15 N 3.34 0.00 -2.78 -0.82 -2.24 -1.26 -4.75 114.28 105.76 1q7y n THR 15 Ca -0.17 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.19 1q7y n THR 15 Cb 0.53 -0.38 -0.04 0.00 -2.10 0.00 0.00 70.33 68.34 1q7y n THR 15 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1q7y s HIS 16 N -0.79 3.69 0.04 4.78 3.76 -1.26 0.16 115.29 125.67 1q7y s HIS 16 Ca 0.00 1.65 -0.01 0.00 -0.15 0.00 0.00 55.06 56.55 1q7y s HIS 16 Cb 0.00 -3.04 -0.03 0.00 1.11 0.00 0.00 32.58 30.62 1q7y s HIS 16 CO 0.00 0.07 -0.03 0.95 -0.85 0.00 0.00 174.74 174.88 1q7y s THR 17 N 0.68 0.18 -0.34 1.30 -4.23 0.39 -4.86 115.64 108.75 1q7y s THR 17 Ca 0.48 -1.42 -0.37 0.00 -1.18 0.00 0.00 61.69 59.20 1q7y s THR 17 Cb -0.21 -0.98 -0.13 0.00 1.34 0.00 0.00 72.50 72.53 1q7y s THR 17 CO 0.27 -0.78 2.11 1.17 -0.54 0.00 0.00 174.62 176.84 1q7y n LYS 18 N 0.75 1.03 -2.04 3.99 4.81 -1.26 0.02 118.16 125.47 1q7y n LYS 18 Ca -0.18 0.31 -0.43 0.00 -0.87 0.00 0.00 58.31 57.13 1q7y n LYS 18 Cb 0.58 -2.33 -0.03 0.00 0.02 0.00 0.00 35.03 33.28 1q7y n LYS 18 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1q7y h ARG 20 N 11.26 0.16 0.03 0.00 2.43 -1.89 0.35 114.38 126.72 1q7y h ARG 20 Ca -0.35 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 58.81 1q7y h ARG 20 Cb 1.17 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1q7y h ARG 20 CO 1.00 0.10 -0.02 -0.09 -1.51 0.00 0.00 179.97 179.46 1q7y h ARG 21 N 0.16 -0.05 0.00 0.20 2.43 -1.96 -3.41 114.38 111.76 1q7y h ARG 21 Ca 0.71 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.89 1q7y h ARG 21 Cb 1.67 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.23 1q7y h ARG 21 CO -0.71 -0.03 -0.73 0.00 -1.51 0.00 0.00 179.97 176.99 1q7y n GLY 23 N 1.49 0.47 3.95 0.00 0.00 0.12 -4.99 105.19 106.23 1q7y n GLY 23 Ca 0.05 -0.26 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 1q7y n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q7y s GLU 24 N -0.66 3.48 -0.27 1.61 0.41 -1.26 -4.70 118.70 117.31 1q7y s GLU 24 Ca 0.00 -0.50 -0.04 0.00 -0.41 0.00 0.00 54.97 54.02 1q7y s GLU 24 Cb 0.00 -2.81 -0.04 0.00 -1.78 0.00 0.00 34.13 29.50 1q7y s GLU 24 CO 0.00 0.34 2.96 1.17 -0.49 0.00 0.00 175.26 179.24 1q7y n LYS 25 N -1.27 2.14 -0.03 1.61 4.81 -1.26 0.40 118.16 124.56 1q7y n LYS 25 Ca -0.06 -1.70 0.02 0.00 -0.87 0.00 0.00 58.31 55.69 1q7y n LYS 25 Cb 0.56 -1.99 0.04 0.00 0.02 0.00 0.00 35.03 33.65 1q7y n LYS 25 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1q7y n SER 26 N 1.41 1.84 -4.60 3.14 7.64 -1.17 -3.76 113.62 118.11 1q7y n SER 26 Ca 0.43 -1.58 -0.43 0.00 1.01 0.00 0.00 58.87 58.29 1q7y n SER 26 Cb 0.68 -0.04 -0.02 0.00 -1.01 0.00 0.00 64.21 63.81 1q7y n SER 26 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1q7y s TYR 27 N -0.67 2.58 -0.67 1.43 5.04 0.10 -1.93 117.35 123.23 1q7y s TYR 27 Ca 0.07 0.68 -0.27 0.00 -2.44 0.00 0.00 57.07 55.11 1q7y s TYR 27 Cb 0.04 -4.38 0.02 0.00 0.35 0.00 0.00 41.96 37.98 1q7y s TYR 27 CO 0.05 -1.67 1.43 -1.58 -1.34 0.00 0.00 175.55 172.45 1q7y s HIS 28 N 5.02 2.16 -0.73 4.97 5.65 -0.33 0.15 115.29 132.17 1q7y s HIS 28 Ca 0.55 0.25 0.06 0.00 0.25 0.00 0.00 55.06 56.17 1q7y s HIS 28 Cb -0.10 -4.46 0.30 0.00 -1.18 0.00 0.00 32.58 27.14 1q7y s HIS 28 CO 0.32 -2.09 1.14 -2.37 -0.65 0.00 0.00 174.74 171.09 1q7y n THR 29 N 6.67 1.63 -0.05 0.89 5.66 0.43 0.14 114.28 129.65 1q7y n THR 29 Ca 0.09 0.57 -0.12 0.00 -3.05 0.00 0.00 64.05 61.53 1q7y n THR 29 Cb 0.50 -1.57 -0.14 0.00 -1.55 0.00 0.00 70.33 67.57 1q7y n THR 29 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1q7y n LYS 30 N -1.68 0.67 0.00 1.09 4.76 -1.26 -4.21 118.16 117.53 1q7y n LYS 30 Ca -0.00 0.18 0.11 0.00 -2.87 0.00 0.00 58.31 55.73 1q7y n LYS 30 Cb 0.04 -1.67 0.05 0.00 -1.84 0.00 0.00 35.03 31.62 1q7y n LYS 30 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1q7y n LYS 31 N -3.05 0.88 -4.10 1.97 5.02 0.20 -4.96 118.16 114.13 1q7y n LYS 31 Ca -0.27 -0.70 -0.32 0.00 -2.02 0.00 0.00 58.31 55.00 1q7y n LYS 31 Cb 1.08 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 34.56 1q7y n LYS 31 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1q7y n LYS 32 N -0.45 -1.61 -3.70 1.97 4.76 0.38 -4.93 118.16 114.57 1q7y n LYS 32 Ca 0.09 0.22 -0.11 0.00 -2.87 0.00 0.00 58.31 55.64 1q7y n LYS 32 Cb 0.42 -3.75 -0.10 0.00 -1.84 0.00 0.00 35.03 29.76 1q7y n LYS 32 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1q7y s VAL 33 N -4.01 -0.01 -0.02 -0.18 1.01 -1.22 -4.52 120.40 111.45 1q7y s VAL 33 Ca 0.13 0.05 -0.21 0.00 0.00 0.00 0.00 61.98 61.95 1q7y s VAL 33 Cb -0.07 -0.64 -0.05 0.00 0.00 0.00 0.00 36.38 35.63 1q7y s VAL 33 CO 0.95 0.02 0.62 0.00 0.00 0.00 0.00 175.10 176.68 1q7y n SER 35 N 3.00 0.27 -0.11 0.00 3.41 -0.82 -2.33 113.62 117.04 1q7y n SER 35 Ca -0.05 0.05 -0.22 0.00 -0.26 0.00 0.00 58.87 58.38 1q7y n SER 35 Cb 0.51 -0.14 -0.08 0.00 -0.26 0.00 0.00 64.21 64.24 1q7y n SER 35 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1q7y n SER 36 N -1.42 1.67 -0.44 4.04 2.88 -1.26 -4.77 113.62 114.31 1q7y n SER 36 Ca 0.07 0.21 0.08 0.00 -1.33 0.00 0.00 58.87 57.90 1q7y n SER 36 Cb 0.33 -0.60 0.02 0.00 -0.75 0.00 0.00 64.21 63.21 1q7y n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1q7y n GLY 38 N 1.03 0.56 3.63 0.00 0.00 -0.99 -2.04 105.19 107.39 1q7y n GLY 38 Ca 0.07 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.62 1q7y n GLY 38 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1q7y n PHE 39 N -2.08 1.85 -0.08 1.61 7.35 -1.26 -0.81 117.46 124.04 1q7y n PHE 39 Ca 0.00 0.49 0.00 0.00 -0.76 0.00 0.00 57.45 57.18 1q7y n PHE 39 Cb 0.03 -2.41 0.00 0.00 0.35 0.00 0.00 39.48 37.44 1q7y n PHE 39 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1q7y n GLY 40 N 2.54 0.69 1.24 7.13 0.00 -1.26 0.09 105.19 115.62 1q7y n GLY 40 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1q7y n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1q7y n LYS 41 N -2.00 0.00 -4.45 1.61 4.81 0.01 -4.79 118.16 113.35 1q7y n LYS 41 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.10 1q7y n LYS 41 Cb 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 34.94 1q7y n LYS 41 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1q7y s SER 42 N -4.24 4.85 0.13 3.14 0.15 -0.05 -4.97 113.70 112.70 1q7y s SER 42 Ca 0.00 -0.05 -0.17 0.00 0.70 0.00 0.00 55.95 56.43 1q7y s SER 42 Cb 0.00 -1.59 -0.02 0.00 -1.71 0.00 0.00 66.02 62.70 1q7y s SER 42 CO 0.00 0.25 1.69 0.00 1.20 0.00 0.00 173.24 176.38 1q7y h ALA 43 N 6.10 0.46 -2.88 5.45 0.00 -1.95 -3.39 119.26 123.05 1q7y h ALA 43 Ca -0.38 -0.11 -0.53 0.00 0.00 0.00 0.00 54.91 53.88 1q7y h ALA 43 Cb 1.19 -0.14 0.09 0.00 0.00 0.00 0.00 17.79 18.93 1q7y h ALA 43 CO 0.59 0.04 0.60 0.15 0.00 0.00 0.00 179.25 180.63 1q7y s LYS 44 N -5.66 3.76 -0.16 0.00 1.02 -1.26 -4.96 119.74 112.48 1q7y s LYS 44 Ca -0.13 2.14 -0.29 0.00 0.02 0.00 0.00 55.97 57.70 1q7y s LYS 44 Cb 0.10 -2.60 -0.00 0.00 -0.52 0.00 0.00 37.83 34.80 1q7y s LYS 44 CO 0.74 -0.66 1.05 1.03 -0.92 0.00 0.00 175.35 176.58 1q7y s ARG 45 N -2.45 4.33 0.06 1.68 1.81 -1.26 -4.85 118.95 118.27 1q7y s ARG 45 Ca 0.61 1.41 -0.38 0.00 -1.72 0.00 0.00 55.73 55.65 1q7y s ARG 45 Cb -0.38 -3.60 -0.18 0.00 -0.45 0.00 0.00 34.95 30.35 1q7y s ARG 45 CO 0.47 -0.49 1.21 -2.13 -0.68 0.00 0.00 175.30 173.69 1q7y n ARG 46 N 5.71 0.70 -3.61 3.54 0.63 -0.87 -4.97 116.66 117.79 1q7y n ARG 46 Ca 0.11 0.25 -0.12 0.00 -0.92 0.00 0.00 57.85 57.17 1q7y n ARG 46 Cb 0.47 -1.82 -0.07 0.00 0.45 0.00 0.00 32.46 31.49 1q7y n ARG 46 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1q7y s ASP 47 N 0.25 -0.54 -0.02 6.15 3.68 -1.26 -4.77 116.67 120.15 1q7y s ASP 47 Ca 0.86 0.94 -0.03 0.00 2.13 0.00 0.00 52.55 56.45 1q7y s ASP 47 Cb -1.06 0.91 0.00 0.00 -1.45 0.00 0.00 42.92 41.32 1q7y s ASP 47 CO 0.51 -0.26 0.06 -0.31 0.13 0.00 0.00 175.17 175.30 1q7y s TYR 48 N -0.12 -0.02 -1.16 -5.34 1.51 -1.26 -5.05 117.35 105.92 1q7y s TYR 48 Ca -0.00 0.06 0.12 0.00 -1.01 0.00 0.00 57.07 56.24 1q7y s TYR 48 Cb -0.04 -0.01 0.53 0.00 -0.11 0.00 0.00 41.96 42.34 1q7y s TYR 48 CO -0.01 -0.08 1.34 0.39 -1.11 0.00 0.00 175.55 176.08 1q7y n GLU 49 N 2.69 0.06 0.00 -0.62 -0.58 -1.26 -1.93 120.64 118.99 1q7y n GLU 49 Ca -0.15 0.25 0.14 0.00 -0.42 0.00 0.00 57.16 56.98 1q7y n GLU 49 Cb 0.58 -1.50 0.49 0.00 -0.57 0.00 0.00 31.44 30.45 1q7y n GLU 49 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 1q7y n TRP 50 N -1.42 0.00 0.49 -0.32 4.27 -1.26 -3.42 117.44 115.78 1q7y n TRP 50 Ca 0.04 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.77 1q7y n TRP 50 Cb 0.12 -0.02 0.46 0.00 -1.36 0.00 0.00 31.31 30.51 1q7y n TRP 50 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 1q7y n GLN 51 N 0.03 0.19 -4.34 -2.67 6.02 -0.81 -4.71 117.38 111.08 1q7y n GLN 51 Ca 0.18 0.33 -0.18 0.00 -0.01 0.00 0.00 57.00 57.32 1q7y n GLN 51 Cb 0.36 -1.81 -0.10 0.00 1.02 0.00 0.00 30.24 29.70 1q7y n GLN 51 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1q7y s SER 52 N -4.17 1.91 0.33 1.08 1.04 -1.22 -5.12 113.70 107.56 1q7y s SER 52 Ca 0.07 -1.23 -0.29 0.00 0.48 0.00 0.00 55.95 54.98 1q7y s SER 52 Cb 0.11 -0.01 -0.11 0.00 0.10 0.00 0.00 66.02 66.11 1q7y s SER 52 CO 0.44 -0.51 1.40 -0.54 0.98 0.00 0.00 173.24 175.02 1q7y s LYS 53 N -3.86 4.24 0.43 4.02 -0.14 -1.26 -4.87 119.74 118.30 1q7y s LYS 53 Ca 0.29 2.38 0.29 0.00 -1.36 0.00 0.00 55.97 57.57 1q7y s LYS 53 Cb 0.06 -3.04 1.42 0.00 -1.68 0.00 0.00 37.83 34.59 1q7y s LYS 53 CO 0.09 -0.37 1.61 0.00 -0.76 0.00 0.00 175.35 175.93 1q7y h ALA 54 N 3.54 2.68 -0.93 5.17 0.00 -1.95 0.22 119.26 127.99 1q7y h ALA 54 Ca -0.49 0.13 -0.49 0.00 0.00 0.00 0.00 54.91 54.06 1q7y h ALA 54 Cb 1.23 0.22 -0.29 0.00 0.00 0.00 0.00 17.79 18.95 1q7y h ALA 54 CO 0.67 -1.33 0.62 0.41 0.00 0.00 0.00 179.25 179.63 1q7y n GLY 55 N -1.49 4.39 0.00 0.00 0.00 -1.26 -5.13 105.19 101.69 1q7y n GLY 55 Ca 0.38 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1q7y n GLY 55 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11