#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m1k s GLY 2 N 0.00 2.91 0.11 3.41 0.00 -1.26 -4.87 107.32 107.61 1m1k s GLY 2 Ca 0.00 1.33 0.25 0.00 0.00 0.00 0.00 44.72 46.30 1m1k s GLY 2 CO 0.00 1.91 1.78 0.00 0.00 0.00 0.00 173.10 176.79 1m1k n ALA 3 N -0.22 2.13 -1.46 3.20 0.00 -1.26 -3.40 120.51 119.50 1m1k n ALA 3 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1m1k n ALA 3 Cb 0.43 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1m1k n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m1k n GLY 4 N 1.03 0.71 0.25 0.00 0.00 -1.26 -4.53 105.19 101.39 1m1k n GLY 4 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 1m1k n GLY 4 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1m1k n THR 5 N 0.00 -0.41 0.16 2.61 -1.04 -1.26 0.57 114.28 114.91 1m1k n THR 5 Ca 0.00 1.80 0.19 0.00 -2.04 0.00 0.00 64.05 63.99 1m1k n THR 5 Cb 0.00 -2.25 0.77 0.00 -1.82 0.00 0.00 70.33 67.03 1m1k n THR 5 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1m1k h PRO 6 N 0.00 0.00 -0.00 -2.82 0.13 -1.91 0.48 132.00 127.88 1m1k h PRO 6 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1m1k h PRO 6 Cb 0.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.38 1m1k h PRO 6 CO -0.56 0.00 -0.29 0.43 -0.23 0.00 0.00 178.00 177.34 1m1k n SER 7 N -3.55 0.53 -0.00 1.44 7.64 0.19 -3.69 113.62 116.18 1m1k n SER 7 Ca 0.05 -0.33 0.14 0.00 1.01 0.00 0.00 58.87 59.74 1m1k n SER 7 Cb 0.54 0.04 0.62 0.00 -1.01 0.00 0.00 64.21 64.40 1m1k n SER 7 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1m1k n GLN 8 N -1.21 0.02 0.20 1.43 1.13 0.17 -3.93 117.38 115.19 1m1k n GLN 8 Ca 0.09 -0.00 0.08 0.00 -1.94 0.00 0.00 57.00 55.23 1m1k n GLN 8 Cb 0.33 -1.50 0.38 0.00 0.11 0.00 0.00 30.24 29.56 1m1k n GLN 8 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1m1k h GLY 9 N 5.00 0.00 -0.07 1.08 0.00 -1.67 -3.16 103.07 104.25 1m1k h GLY 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1m1k h GLY 9 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 1m1k n LYS 10 N -3.44 1.46 -1.73 4.80 5.02 -1.25 -4.69 118.16 118.32 1m1k n LYS 10 Ca 0.00 -0.67 -0.42 0.00 -2.02 0.00 0.00 58.31 55.20 1m1k n LYS 10 Cb 0.48 -1.46 -0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1m1k n LYS 10 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1m1k n LYS 11 N -0.17 2.82 -0.72 1.97 5.02 -1.20 -4.48 118.16 121.40 1m1k n LYS 11 Ca 0.19 -2.59 0.05 0.00 -2.02 0.00 0.00 58.31 53.94 1m1k n LYS 11 Cb 0.27 -3.28 0.19 0.00 -0.02 0.00 0.00 35.03 32.18 1m1k n LYS 11 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1m1k n ASN 12 N 6.18 1.74 -4.79 4.39 6.94 -1.26 -5.02 115.26 123.45 1m1k n ASN 12 Ca 0.52 -3.74 -0.36 0.00 -0.02 0.00 0.00 54.58 50.98 1m1k n ASN 12 Cb 0.39 -0.51 -0.07 0.00 -2.36 0.00 0.00 39.78 37.23 1m1k n ASN 12 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1m1k s THR 13 N -3.01 5.24 -0.19 5.53 2.01 -1.26 -5.07 115.64 118.88 1m1k s THR 13 Ca 0.38 0.12 -0.16 0.00 0.31 0.00 0.00 61.69 62.34 1m1k s THR 13 Cb 0.37 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 1m1k s THR 13 CO -0.08 0.55 0.39 -0.89 -0.69 0.00 0.00 174.62 173.91 1m1k s THR 14 N -0.48 5.21 0.00 -0.82 2.01 -1.26 -4.95 115.64 115.36 1m1k s THR 14 Ca 0.11 0.70 0.00 0.00 0.31 0.00 0.00 61.69 62.81 1m1k s THR 14 Cb -0.12 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.67 1m1k s THR 14 CO 0.02 0.27 0.00 0.35 -0.69 0.00 0.00 174.62 174.57 1m1k n THR 15 N 4.23 0.00 -2.57 -0.82 -2.24 -1.26 -4.75 114.28 106.87 1m1k n THR 15 Ca -0.09 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 1m1k n THR 15 Cb 0.51 -0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 68.18 1m1k n THR 15 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1m1k s HIS 16 N -0.36 3.33 0.31 4.78 3.76 -1.26 0.85 115.29 126.69 1m1k s HIS 16 Ca 0.00 1.39 0.05 0.00 -0.15 0.00 0.00 55.06 56.34 1m1k s HIS 16 Cb 0.00 -3.31 -0.06 0.00 1.11 0.00 0.00 32.58 30.31 1m1k s HIS 16 CO 0.00 -0.80 0.01 0.95 -0.85 0.00 0.00 174.74 174.05 1m1k s THR 17 N 2.24 1.35 -0.05 1.30 -4.23 0.64 -4.77 115.64 112.12 1m1k s THR 17 Ca 0.52 -2.04 -0.35 0.00 -1.18 0.00 0.00 61.69 58.63 1m1k s THR 17 Cb -0.21 -2.65 -0.13 0.00 1.34 0.00 0.00 72.50 70.84 1m1k s THR 17 CO 0.19 -0.13 1.73 1.17 -0.54 0.00 0.00 174.62 177.04 1m1k n LYS 18 N -0.64 1.87 -2.74 3.99 3.00 -1.26 0.11 118.16 122.50 1m1k n LYS 18 Ca -0.04 0.68 -0.42 0.00 -0.00 0.00 0.00 58.31 58.53 1m1k n LYS 18 Cb 0.65 -2.46 -0.03 0.00 0.00 0.00 0.00 35.03 33.19 1m1k n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1m1k h ARG 20 N 7.37 0.27 0.03 0.00 2.43 -1.90 0.17 114.38 122.74 1m1k h ARG 20 Ca -0.24 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1m1k h ARG 20 Cb 1.10 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1m1k h ARG 20 CO 0.91 0.18 -0.01 -0.09 -1.51 0.00 0.00 179.97 179.44 1m1k h ARG 21 N 0.28 -0.04 0.00 0.20 2.43 -1.96 -3.40 114.38 111.88 1m1k h ARG 21 Ca 0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 1m1k h ARG 21 Cb 0.77 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 1m1k h ARG 21 CO -0.53 0.65 -0.83 0.00 -1.51 0.00 0.00 179.97 177.76 1m1k n GLY 23 N 1.39 0.97 3.86 0.00 0.00 0.58 -4.99 105.19 107.01 1m1k n GLY 23 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1m1k n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1m1k s GLU 24 N -0.02 3.91 -1.49 1.61 0.41 -1.26 -4.50 118.70 117.36 1m1k s GLU 24 Ca 0.00 0.61 -0.08 0.00 -0.41 0.00 0.00 54.97 55.09 1m1k s GLU 24 Cb 0.00 -2.39 0.00 0.00 -1.78 0.00 0.00 34.13 29.97 1m1k s GLU 24 CO 0.00 0.04 2.68 1.17 -0.49 0.00 0.00 175.26 178.65 1m1k n LYS 25 N -0.86 4.00 0.00 1.61 4.81 -1.26 0.73 118.16 127.20 1m1k n LYS 25 Ca 0.03 -2.74 0.00 0.00 -0.87 0.00 0.00 58.31 54.73 1m1k n LYS 25 Cb 0.54 -2.76 0.00 0.00 0.02 0.00 0.00 35.03 32.82 1m1k n LYS 25 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1m1k n SER 26 N 3.01 1.15 -4.59 3.14 7.64 -0.90 -4.28 113.62 118.78 1m1k n SER 26 Ca 0.70 -1.52 -0.42 0.00 1.01 0.00 0.00 58.87 58.64 1m1k n SER 26 Cb 0.25 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.42 1m1k n SER 26 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1m1k s TYR 27 N -0.52 2.55 -0.61 1.43 5.04 0.12 -1.79 117.35 123.57 1m1k s TYR 27 Ca 0.00 0.52 -0.27 0.00 -2.44 0.00 0.00 57.07 54.88 1m1k s TYR 27 Cb 0.00 -4.45 -0.00 0.00 0.35 0.00 0.00 41.96 37.85 1m1k s TYR 27 CO 0.00 -1.66 1.66 -1.58 -1.34 0.00 0.00 175.55 172.63 1m1k s HIS 28 N 5.17 1.90 -0.06 4.97 5.65 -0.58 0.23 115.29 132.57 1m1k s HIS 28 Ca 0.48 0.55 0.27 0.00 0.25 0.00 0.00 55.06 56.61 1m1k s HIS 28 Cb -0.09 -4.25 1.40 0.00 -1.18 0.00 0.00 32.58 28.46 1m1k s HIS 28 CO 0.28 -2.25 1.83 0.00 -0.65 0.00 0.00 174.74 173.94 1m1k h THR 29 N 6.62 0.00 0.17 0.89 1.03 0.13 2.14 112.91 123.89 1m1k h THR 29 Ca -0.27 -0.06 -0.33 0.00 -0.01 0.00 0.00 66.41 65.74 1m1k h THR 29 Cb 1.13 0.71 0.01 0.00 -1.07 0.00 0.00 68.15 68.92 1m1k h THR 29 CO 1.21 0.00 -1.64 0.11 -0.01 0.00 0.00 175.52 175.19 1m1k h LYS 30 N 0.00 0.35 0.00 0.00 1.79 -1.86 -3.37 116.57 113.49 1m1k h LYS 30 Ca 0.00 -0.60 -0.00 0.00 -2.18 0.00 0.00 60.65 57.86 1m1k h LYS 30 Cb 0.08 0.22 -0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1m1k h LYS 30 CO 0.00 1.29 -0.93 0.87 -1.08 0.00 0.00 179.45 179.60 1m1k h LYS 31 N -0.02 0.00 -5.83 3.15 1.57 -1.68 -3.48 116.57 110.27 1m1k h LYS 31 Ca -0.33 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.06 1m1k h LYS 31 Cb 1.99 0.00 0.14 0.00 0.08 0.00 0.00 32.23 34.44 1m1k h LYS 31 CO 0.14 0.01 -0.69 1.63 -0.57 0.00 0.00 179.45 179.97 1m1k n LYS 32 N -2.72 -7.75 -3.80 3.15 4.76 0.72 -4.99 118.16 107.53 1m1k n LYS 32 Ca 0.00 0.83 -0.13 0.00 -2.87 0.00 0.00 58.31 56.14 1m1k n LYS 32 Cb 0.56 -5.88 -0.13 0.00 -1.84 0.00 0.00 35.03 27.75 1m1k n LYS 32 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1m1k s VAL 33 N -3.33 -0.01 -0.05 -0.18 1.01 -1.20 -4.53 120.40 112.11 1m1k s VAL 33 Ca 0.51 0.03 -0.19 0.00 0.00 0.00 0.00 61.98 62.33 1m1k s VAL 33 Cb -0.22 -0.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.85 1m1k s VAL 33 CO 0.73 0.01 0.53 0.00 0.00 0.00 0.00 175.10 176.38 1m1k n SER 35 N 3.05 0.00 -0.13 0.00 3.41 -0.74 -2.30 113.62 116.92 1m1k n SER 35 Ca -0.07 0.42 -0.25 0.00 -0.26 0.00 0.00 58.87 58.70 1m1k n SER 35 Cb 0.51 -0.47 -0.09 0.00 -0.26 0.00 0.00 64.21 63.91 1m1k n SER 35 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1m1k n SER 36 N -1.47 1.95 -0.00 4.04 2.88 -1.26 -4.73 113.62 115.03 1m1k n SER 36 Ca 0.08 0.34 0.08 0.00 -1.33 0.00 0.00 58.87 58.04 1m1k n SER 36 Cb 0.31 -0.81 -0.10 0.00 -0.75 0.00 0.00 64.21 62.87 1m1k n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1m1k n GLY 38 N 1.40 0.94 3.57 0.00 0.00 -0.97 0.29 105.19 110.41 1m1k n GLY 38 Ca 0.03 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.53 1m1k n GLY 38 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1m1k n PHE 39 N -2.00 1.27 0.00 1.61 7.35 -1.26 -0.34 117.46 124.09 1m1k n PHE 39 Ca 0.00 0.72 0.00 0.00 -0.76 0.00 0.00 57.45 57.41 1m1k n PHE 39 Cb 0.00 -2.27 0.00 0.00 0.35 0.00 0.00 39.48 37.56 1m1k n PHE 39 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1m1k n GLY 40 N 2.21 1.17 0.73 7.13 0.00 -1.26 0.04 105.19 115.21 1m1k n GLY 40 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1m1k n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1m1k n LYS 41 N -2.00 0.00 -4.81 1.61 4.81 0.53 -4.85 118.16 113.45 1m1k n LYS 41 Ca 0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.19 1m1k n LYS 41 Cb 0.00 -0.63 -0.15 0.00 0.02 0.00 0.00 35.03 34.26 1m1k n LYS 41 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1m1k s SER 42 N -4.72 2.03 0.05 3.14 0.15 -0.73 -5.01 113.70 108.60 1m1k s SER 42 Ca 0.00 -0.32 -0.19 0.00 0.70 0.00 0.00 55.95 56.15 1m1k s SER 42 Cb 0.00 -0.22 -0.15 0.00 -1.71 0.00 0.00 66.02 63.93 1m1k s SER 42 CO 0.00 0.21 1.29 0.00 1.20 0.00 0.00 173.24 175.94 1m1k h ALA 43 N 5.68 0.23 -2.47 5.45 0.00 -1.96 -3.40 119.26 122.80 1m1k h ALA 43 Ca -0.37 -0.42 -0.51 0.00 0.00 0.00 0.00 54.91 53.61 1m1k h ALA 43 Cb 1.15 -0.04 0.11 0.00 0.00 0.00 0.00 17.79 19.01 1m1k h ALA 43 CO 0.48 0.28 0.37 0.15 0.00 0.00 0.00 179.25 180.53 1m1k s LYS 44 N -3.97 2.75 0.22 0.00 1.02 -1.26 -4.98 119.74 113.52 1m1k s LYS 44 Ca -0.13 1.41 -0.30 0.00 0.02 0.00 0.00 55.97 56.97 1m1k s LYS 44 Cb 0.06 -1.94 -0.08 0.00 -0.52 0.00 0.00 37.83 35.34 1m1k s LYS 44 CO 0.80 -1.29 0.97 1.03 -0.92 0.00 0.00 175.35 175.93 1m1k s ARG 45 N -4.09 4.80 0.18 1.68 1.81 -1.26 -4.85 118.95 117.22 1m1k s ARG 45 Ca 0.67 1.53 -0.32 0.00 -1.72 0.00 0.00 55.73 55.89 1m1k s ARG 45 Cb -0.21 -3.29 -0.11 0.00 -0.45 0.00 0.00 34.95 30.90 1m1k s ARG 45 CO 0.42 0.42 1.61 0.50 -0.68 0.00 0.00 175.30 177.57 1m1k s ARG 46 N -0.99 4.19 -0.28 3.54 3.52 0.14 -4.99 118.95 124.09 1m1k s ARG 46 Ca 0.43 2.43 -0.23 0.00 -0.13 0.00 0.00 55.73 58.23 1m1k s ARG 46 Cb -0.26 -3.13 0.12 0.00 -1.56 0.00 0.00 34.95 30.12 1m1k s ARG 46 CO 0.33 -0.64 1.00 0.34 -0.81 0.00 0.00 175.30 175.51 1m1k s ASP 47 N 1.12 -0.49 0.07 -2.12 -1.08 -1.26 -4.82 116.67 108.09 1m1k s ASP 47 Ca 0.71 0.90 0.02 0.00 -0.52 0.00 0.00 52.55 53.66 1m1k s ASP 47 Cb -0.45 0.99 -0.03 0.00 -1.46 0.00 0.00 42.92 41.96 1m1k s ASP 47 CO 0.32 -0.15 -0.07 -0.31 0.52 0.00 0.00 175.17 175.48 1m1k s TYR 48 N 0.54 0.80 -0.55 -5.34 1.51 -1.26 -5.03 117.35 108.02 1m1k s TYR 48 Ca -0.00 -0.70 0.26 0.00 -1.01 0.00 0.00 57.07 55.61 1m1k s TYR 48 Cb -0.05 -0.47 0.85 0.00 -0.11 0.00 0.00 41.96 42.19 1m1k s TYR 48 CO -0.09 -0.11 1.76 0.93 -1.11 0.00 0.00 175.55 176.93 1m1k h GLU 49 N 3.73 0.00 -0.01 -0.62 4.39 -2.01 -3.00 114.58 117.06 1m1k h GLU 49 Ca -0.36 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.34 1m1k h GLU 49 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1m1k h GLU 49 CO 0.53 0.00 -0.02 -2.67 -1.16 0.00 0.00 179.01 175.68 1m1k n TRP 50 N -2.43 0.00 1.26 4.33 4.27 -1.26 -3.29 117.44 120.32 1m1k n TRP 50 Ca 0.04 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.77 1m1k n TRP 50 Cb 0.37 -0.03 0.65 0.00 -1.36 0.00 0.00 31.31 30.94 1m1k n TRP 50 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 1m1k n GLN 51 N -0.46 0.47 -3.96 -2.67 6.02 -1.13 -4.76 117.38 110.87 1m1k n GLN 51 Ca 0.20 0.04 -0.09 0.00 -0.01 0.00 0.00 57.00 57.14 1m1k n GLN 51 Cb 0.25 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 29.93 1m1k n GLN 51 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1m1k s SER 52 N -2.42 0.17 0.57 1.08 1.04 -1.21 -5.12 113.70 107.81 1m1k s SER 52 Ca 0.27 -0.85 -0.20 0.00 0.48 0.00 0.00 55.95 55.65 1m1k s SER 52 Cb 0.17 0.35 -0.05 0.00 0.10 0.00 0.00 66.02 66.59 1m1k s SER 52 CO 0.35 -0.77 1.20 0.29 0.98 0.00 0.00 173.24 175.29 1m1k n LYS 53 N -0.10 1.31 -0.30 4.02 4.76 -1.26 -4.88 118.16 121.71 1m1k n LYS 53 Ca -0.11 0.49 0.10 0.00 -2.87 0.00 0.00 58.31 55.92 1m1k n LYS 53 Cb 0.63 -2.40 0.26 0.00 -1.84 0.00 0.00 35.03 31.68 1m1k n LYS 53 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1m1k h ALA 54 N 0.98 1.32 -0.88 7.82 0.00 -1.96 -1.44 119.26 125.11 1m1k h ALA 54 Ca -0.50 0.13 -0.55 0.00 0.00 0.00 0.00 54.91 53.99 1m1k h ALA 54 Cb 1.33 0.08 -0.26 0.00 0.00 0.00 0.00 17.79 18.94 1m1k h ALA 54 CO 0.54 -0.23 0.71 0.41 0.00 0.00 0.00 179.25 180.68 1m1k n GLY 55 N -1.33 5.05 0.00 0.00 0.00 -1.26 -5.14 105.19 102.51 1m1k n GLY 55 Ca 0.19 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1m1k n GLY 55 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11