#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c1m n ALA 2 N 0.00 2.23 -1.77 3.04 0.00 -1.26 -5.02 120.51 117.73 2c1m n ALA 2 Ca 0.00 -0.98 -0.39 0.00 0.00 0.00 0.00 53.44 52.08 2c1m n ALA 2 Cb 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 19.45 19.10 2c1m n ALA 2 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2c1m s LYS 3 N -0.94 3.96 -0.08 0.00 1.02 -1.26 -5.06 119.74 117.39 2c1m s LYS 3 Ca 0.17 2.01 -0.05 0.00 0.02 0.00 0.00 55.97 58.12 2c1m s LYS 3 Cb 0.09 -2.69 0.03 0.00 -0.52 0.00 0.00 37.83 34.74 2c1m s LYS 3 CO 0.12 -0.45 0.19 1.03 -0.92 0.00 0.00 175.35 175.32 2c1m s ARG 4 N -2.31 0.18 0.82 1.68 0.52 -1.26 -5.16 118.95 113.44 2c1m s ARG 4 Ca 0.58 0.33 -0.12 0.00 -0.52 0.00 0.00 55.73 56.01 2c1m s ARG 4 Cb -0.35 -0.00 0.09 0.00 0.52 0.00 0.00 34.95 35.20 2c1m s ARG 4 CO 0.44 -0.08 1.10 0.14 0.02 0.00 0.00 175.30 176.92 2c1m s VAL 5 N 0.57 2.89 0.69 3.52 -7.23 -1.26 -4.98 120.40 114.59 2c1m s VAL 5 Ca -0.04 0.29 -0.17 0.00 -1.81 0.00 0.00 61.98 60.25 2c1m s VAL 5 Cb -0.05 -3.00 0.00 0.00 0.56 0.00 0.00 36.38 33.89 2c1m s VAL 5 CO -0.03 -0.38 1.12 0.00 -0.31 0.00 0.00 175.10 175.50 2c1m n ALA 6 N -3.54 0.39 -0.20 1.32 0.00 -1.26 -4.93 120.51 112.29 2c1m n ALA 6 Ca 0.07 -0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.31 2c1m n ALA 6 Cb 0.56 -2.21 0.02 0.00 0.00 0.00 0.00 19.45 17.82 2c1m n ALA 6 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2c1m h GLU 7 N 0.08 1.05 -5.38 0.00 4.81 -2.07 -3.44 114.58 109.63 2c1m h GLU 7 Ca -0.49 -0.37 -0.45 0.00 -0.13 0.00 0.00 59.36 57.92 2c1m h GLU 7 Cb 1.34 -0.08 -0.25 0.00 0.63 0.00 0.00 28.75 30.39 2c1m h GLU 7 CO 0.50 1.07 -0.80 -1.59 -0.73 0.00 0.00 179.01 177.46 2c1m s LYS 8 N -4.92 0.97 -0.33 1.92 -2.85 -1.26 -5.09 119.74 108.17 2c1m s LYS 8 Ca -0.12 -0.78 -0.29 0.00 -1.00 0.00 0.00 55.97 53.79 2c1m s LYS 8 Cb 0.13 -0.98 -0.00 0.00 -2.06 0.00 0.00 37.83 34.92 2c1m s LYS 8 CO 0.86 0.24 1.43 -1.21 0.10 0.00 0.00 175.35 176.77 2c1m s GLU 9 N -1.15 3.73 0.08 1.78 2.02 -1.26 -4.98 118.70 118.91 2c1m s GLU 9 Ca 0.02 1.21 -0.24 0.00 0.02 0.00 0.00 54.97 55.98 2c1m s GLU 9 Cb -0.08 -3.98 -0.06 0.00 0.10 0.00 0.00 34.13 30.11 2c1m s GLU 9 CO 0.01 -1.37 0.72 -1.17 0.02 0.00 0.00 175.26 173.48 2c1m s LEU 10 N 5.07 4.50 0.19 1.80 2.96 -1.26 -5.02 118.68 126.91 2c1m s LEU 10 Ca 0.62 1.45 -0.01 0.00 -0.22 0.00 0.00 54.13 55.97 2c1m s LEU 10 Cb -0.17 -3.17 -0.04 0.00 0.50 0.00 0.00 46.19 43.31 2c1m s LEU 10 CO 0.28 0.12 0.11 0.28 -1.32 0.00 0.00 176.35 175.82 2c1m s THR 11 N -0.54 0.07 -1.93 3.68 -1.32 -1.26 -5.02 115.64 109.31 2c1m s THR 11 Ca 0.35 -1.98 0.16 0.00 -1.21 0.00 0.00 61.69 59.01 2c1m s THR 11 Cb -0.21 -2.40 0.43 0.00 -1.51 0.00 0.00 72.50 68.81 2c1m s THR 11 CO 0.23 -0.12 1.36 -0.90 -2.21 0.00 0.00 174.62 172.98 2c1m n ASP 12 N -0.24 0.00 -0.05 8.08 5.68 -1.26 -1.87 116.55 126.90 2c1m n ASP 12 Ca -0.00 -0.43 0.00 0.00 -0.50 0.00 0.00 54.79 53.87 2c1m n ASP 12 Cb 0.65 -0.03 0.01 0.00 -1.14 0.00 0.00 41.12 40.61 2c1m n ASP 12 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 2c1m n ARG 13 N -1.03 2.02 0.00 0.11 1.85 -1.26 -4.69 116.66 113.66 2c1m n ARG 13 Ca 0.11 -1.30 0.00 0.00 -1.00 0.00 0.00 57.85 55.67 2c1m n ARG 13 Cb 0.06 -1.02 0.00 0.00 -1.05 0.00 0.00 32.46 30.45 2c1m n ARG 13 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 2c1m n ASN 14 N -0.30 0.00 -0.26 2.89 6.94 -0.99 -4.91 115.26 118.63 2c1m n ASN 14 Ca 0.01 -1.00 -0.02 0.00 -0.02 0.00 0.00 54.58 53.55 2c1m n ASN 14 Cb 0.20 0.00 0.16 0.00 -2.36 0.00 0.00 39.78 37.78 2c1m n ASN 14 CO 0.00 0.00 0.00 4.11 -1.03 0.00 0.00 177.26 180.34 2c1m h TRP 15 N 0.00 1.08 -2.23 -2.53 5.08 -1.65 -3.36 115.95 112.34 2c1m h TRP 15 Ca 0.00 -0.02 -0.67 0.00 1.08 0.00 0.00 58.89 59.28 2c1m h TRP 15 Cb 0.59 -0.35 -0.16 0.00 -3.00 0.00 0.00 29.16 26.24 2c1m h TRP 15 CO 0.00 0.74 0.91 -0.51 -1.28 0.00 0.00 178.44 178.30 2c1m s ASP 16 N -6.33 6.55 0.04 0.11 1.01 -1.26 -4.97 116.67 111.81 2c1m s ASP 16 Ca -0.12 -1.81 -0.14 0.00 0.71 0.00 0.00 52.55 51.19 2c1m s ASP 16 Cb 0.17 -2.43 0.02 0.00 1.01 0.00 0.00 42.92 41.69 2c1m s ASP 16 CO 0.81 -1.19 0.32 -1.61 0.21 0.00 0.00 175.17 173.71 2c1m s GLU 17 N 3.24 0.83 -0.05 8.23 2.02 -1.26 -5.14 118.70 126.57 2c1m s GLU 17 Ca 0.34 -0.48 -0.25 0.00 0.02 0.00 0.00 54.97 54.59 2c1m s GLU 17 Cb -0.06 0.36 -0.04 0.00 0.10 0.00 0.00 34.13 34.50 2c1m s GLU 17 CO -0.07 -0.27 0.75 -1.21 0.02 0.00 0.00 175.26 174.49 2c1m s GLU 18 N -2.55 4.46 -0.42 1.61 2.02 -1.26 -4.98 118.70 117.58 2c1m s GLU 18 Ca -0.05 0.99 -0.00 0.00 0.02 0.00 0.00 54.97 55.93 2c1m s GLU 18 Cb -0.01 -3.44 0.35 0.00 0.10 0.00 0.00 34.13 31.13 2c1m s GLU 18 CO -0.03 0.06 1.92 -0.25 0.02 0.00 0.00 175.26 176.97 2c1m n ASP 19 N 3.74 6.02 0.00 -0.19 9.92 -1.26 -4.89 116.55 129.89 2c1m n ASP 19 Ca -0.00 -3.29 0.00 0.00 -0.53 0.00 0.00 54.79 50.97 2c1m n ASP 19 Cb 0.51 -0.95 0.00 0.00 -0.64 0.00 0.00 41.12 40.05 2c1m n ASP 19 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 2c1m n GLU 20 N -0.30 0.00 -3.14 -1.24 0.28 -1.26 -4.22 120.64 110.76 2c1m n GLU 20 Ca 0.43 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 57.24 2c1m n GLU 20 Cb 0.81 -2.95 0.02 0.00 1.43 0.00 0.00 31.44 30.74 2c1m n GLU 20 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2c1m n VAL 21 N -0.97 -8.19 -2.01 3.84 0.31 -1.26 -4.90 118.33 105.14 2c1m n VAL 21 Ca 0.00 0.48 -0.35 0.00 -0.01 0.00 0.00 64.34 64.46 2c1m n VAL 21 Cb 0.00 -5.77 0.03 0.00 -0.91 0.00 0.00 33.84 27.19 2c1m n VAL 21 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2c1m s GLU 22 N -2.71 3.01 -0.04 5.55 2.12 -1.26 -5.04 118.70 120.34 2c1m s GLU 22 Ca 0.26 1.66 -0.03 0.00 0.36 0.00 0.00 54.97 57.23 2c1m s GLU 22 Cb -0.05 -1.95 -0.04 0.00 0.26 0.00 0.00 34.13 32.35 2c1m s GLU 22 CO 0.81 -1.13 0.11 -1.21 -0.54 0.00 0.00 175.26 173.30 2c1m s GLU 23 N -3.50 3.24 0.14 4.30 2.02 -1.26 -5.02 118.70 118.62 2c1m s GLU 23 Ca 0.74 -0.36 -0.18 0.00 0.02 0.00 0.00 54.97 55.19 2c1m s GLU 23 Cb -0.26 -2.99 0.01 0.00 0.10 0.00 0.00 34.13 30.99 2c1m s GLU 23 CO 0.33 0.69 1.76 1.98 0.02 0.00 0.00 175.26 180.04 2c1m h MET 24 N 4.29 0.25 0.00 1.61 1.85 -2.05 -3.48 114.93 117.40 2c1m h MET 24 Ca -0.50 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.57 2c1m h MET 24 Cb 1.19 -0.06 0.00 0.00 0.43 0.00 0.00 31.60 33.17 2c1m h MET 24 CO 0.63 0.16 0.00 0.41 -0.40 0.00 0.00 176.91 177.71 2c1m n GLY 25 N -1.19 -0.59 3.15 1.39 0.00 -1.26 -4.90 105.19 101.79 2c1m n GLY 25 Ca -0.01 -1.13 -0.18 0.00 0.00 0.00 0.00 46.02 44.70 2c1m n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2c1m s THR 26 N 0.00 1.04 0.61 2.61 2.01 -1.26 -5.14 115.64 115.51 2c1m s THR 26 Ca 0.00 -1.16 -0.16 0.00 0.31 0.00 0.00 61.69 60.68 2c1m s THR 26 Cb 0.00 -0.99 -0.03 0.00 0.01 0.00 0.00 72.50 71.50 2c1m s THR 26 CO 0.00 -0.16 1.08 0.72 -0.69 0.00 0.00 174.62 175.57 2c1m s PHE 27 N -1.12 2.84 0.11 4.92 -0.12 -1.26 -5.00 117.98 118.34 2c1m s PHE 27 Ca -0.02 1.53 -0.30 0.00 -0.05 0.00 0.00 56.93 58.09 2c1m s PHE 27 Cb -0.09 -3.08 -0.06 0.00 -0.63 0.00 0.00 43.02 39.16 2c1m s PHE 27 CO 0.02 -1.34 0.96 -1.12 -0.05 0.00 0.00 175.22 173.69 2c1m s SER 28 N -2.62 7.50 0.14 1.98 0.01 -1.26 -5.04 113.70 114.41 2c1m s SER 28 Ca 0.65 1.80 -0.17 0.00 1.31 0.00 0.00 55.95 59.55 2c1m s SER 28 Cb -0.18 -2.59 -0.07 0.00 0.21 0.00 0.00 66.02 63.39 2c1m s SER 28 CO 0.37 -0.07 0.59 -0.69 0.41 0.00 0.00 173.24 173.86 2c1m s VAL 29 N -0.03 4.76 0.55 3.43 1.01 -1.26 -5.05 120.40 123.81 2c1m s VAL 29 Ca 0.47 1.03 -0.21 0.00 0.00 0.00 0.00 61.98 63.27 2c1m s VAL 29 Cb -0.24 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 2c1m s VAL 29 CO 0.30 0.32 1.29 0.00 0.00 0.00 0.00 175.10 177.01 2c1m s ALA 30 N -1.38 2.76 1.07 5.51 0.00 -1.26 -4.99 121.76 123.46 2c1m s ALA 30 Ca 0.36 1.19 -0.14 0.00 0.00 0.00 0.00 51.96 53.37 2c1m s ALA 30 Cb -0.17 -3.51 0.22 0.00 0.00 0.00 0.00 23.12 19.67 2c1m s ALA 30 CO 0.20 -1.22 1.09 -1.54 0.00 0.00 0.00 175.76 174.28 2c1m s SER 31 N -1.19 2.03 0.20 0.00 1.04 -1.26 -4.79 113.70 109.72 2c1m s SER 31 Ca 0.72 1.09 -0.09 0.00 0.48 0.00 0.00 55.95 58.15 2c1m s SER 31 Cb -0.36 -1.69 0.12 0.00 0.10 0.00 0.00 66.02 64.19 2c1m s SER 31 CO 0.42 -3.49 1.74 -0.08 0.98 0.00 0.00 173.24 172.80 2c1m h GLU 32 N -2.14 1.11 -1.01 4.02 4.81 -1.99 -1.56 114.58 117.83 2c1m h GLU 32 Ca -0.54 -0.23 0.07 0.00 -0.13 0.00 0.00 59.36 58.52 2c1m h GLU 32 Cb 1.33 -0.16 -0.07 0.00 0.63 0.00 0.00 28.75 30.48 2c1m h GLU 32 CO 0.53 0.95 0.65 1.49 -0.73 0.00 0.00 179.01 181.90 2c1m h GLU 33 N 1.06 1.14 -0.08 1.92 4.81 -2.01 -1.82 114.58 119.60 2c1m h GLU 33 Ca 0.23 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 2c1m h GLU 33 Cb 0.29 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.42 2c1m h GLU 33 CO -0.01 0.76 -0.15 0.28 -0.73 0.00 0.00 179.01 179.16 2c1m h VAL 34 N 1.18 1.41 -0.40 0.32 2.07 -1.83 -3.32 116.25 115.68 2c1m h VAL 34 Ca 0.44 -1.44 -0.02 0.00 0.82 0.00 0.00 66.70 66.49 2c1m h VAL 34 Cb 0.17 2.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 2c1m h VAL 34 CO -0.18 0.41 0.16 -0.03 0.02 0.00 0.00 177.57 177.95 2c1m h MET 35 N -0.24 0.56 -0.16 1.57 4.05 -0.95 -2.62 114.93 117.14 2c1m h MET 35 Ca 0.00 -0.07 0.05 0.00 -0.28 0.00 0.00 59.70 59.40 2c1m h MET 35 Cb 0.73 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.41 2c1m h MET 35 CO 0.03 0.46 0.18 1.57 0.23 0.00 0.00 176.91 179.38 2c1m h LYS 36 N 0.56 0.00 -0.01 0.39 2.10 -1.43 -2.21 116.57 115.96 2c1m h LYS 36 Ca 0.14 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.79 2c1m h LYS 36 Cb 0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 2c1m h LYS 36 CO -0.01 0.00 -0.30 0.09 -2.00 0.00 0.00 179.45 177.22 2c1m n ASN 37 N -3.81 1.27 -4.72 7.07 3.02 -1.01 -4.99 115.26 112.08 2c1m n ASN 37 Ca 0.01 -1.13 -0.41 0.00 -0.03 0.00 0.00 54.58 53.02 2c1m n ASN 37 Cb 0.29 0.54 -0.04 0.00 -0.61 0.00 0.00 39.78 39.96 2c1m n ASN 37 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2c1m s ARG 38 N -1.66 4.55 -0.20 3.52 0.52 -0.83 -5.02 118.95 119.82 2c1m s ARG 38 Ca 0.10 1.22 -0.24 0.00 -0.52 0.00 0.00 55.73 56.28 2c1m s ARG 38 Cb 0.10 -3.41 -0.01 0.00 0.52 0.00 0.00 34.95 32.14 2c1m s ARG 38 CO 0.34 0.12 0.79 0.00 0.02 0.00 0.00 175.30 176.57 2c1m s ALA 39 N 0.46 3.57 -0.14 2.13 0.00 -1.26 -4.98 121.76 121.53 2c1m s ALA 39 Ca 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.31 2c1m s ALA 39 Cb -0.21 -3.20 0.03 0.00 0.00 0.00 0.00 23.12 19.74 2c1m s ALA 39 CO 0.25 -0.74 -0.12 0.08 0.00 0.00 0.00 175.76 175.23 2c1m s VAL 40 N 2.37 1.41 0.07 0.00 1.01 -1.26 -5.13 120.40 118.87 2c1m s VAL 40 Ca 0.35 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.67 2c1m s VAL 40 Cb -0.16 -1.37 -0.06 0.00 0.00 0.00 0.00 36.38 34.79 2c1m s VAL 40 CO 0.10 0.39 0.37 -0.54 0.00 0.00 0.00 175.10 175.43 2c1m s LYS 41 N 1.55 3.71 0.28 2.72 1.02 -1.26 -5.08 119.74 122.67 2c1m s LYS 41 Ca 0.04 0.10 -0.21 0.00 0.02 0.00 0.00 55.97 55.92 2c1m s LYS 41 Cb -0.13 -3.00 -0.09 0.00 -0.52 0.00 0.00 37.83 34.09 2c1m s LYS 41 CO -0.10 0.57 0.80 -1.59 -0.92 0.00 0.00 175.35 174.11 2c1m s LYS 42 N -1.96 4.31 0.09 1.68 -2.85 -1.26 -5.04 119.74 114.71 2c1m s LYS 42 Ca 0.33 0.99 -0.21 0.00 -1.00 0.00 0.00 55.97 56.08 2c1m s LYS 42 Cb -0.14 -2.75 -0.07 0.00 -2.06 0.00 0.00 37.83 32.81 2c1m s LYS 42 CO 0.18 0.30 0.64 0.00 0.10 0.00 0.00 175.35 176.57 2c1m s ALA 43 N -1.65 3.53 0.47 0.59 0.00 -1.26 -5.05 121.76 118.38 2c1m s ALA 43 Ca 0.48 0.14 -0.21 0.00 0.00 0.00 0.00 51.96 52.37 2c1m s ALA 43 Cb -0.16 -2.75 -0.09 0.00 0.00 0.00 0.00 23.12 20.12 2c1m s ALA 43 CO 0.21 0.33 1.03 0.21 0.00 0.00 0.00 175.76 177.53 2c1m s LYS 44 N -0.95 3.90 0.29 0.00 2.20 -1.26 -5.06 119.74 118.85 2c1m s LYS 44 Ca 0.32 1.35 0.10 0.00 -0.36 0.00 0.00 55.97 57.37 2c1m s LYS 44 Cb -0.20 -2.16 -0.05 0.00 -1.51 0.00 0.00 37.83 33.91 2c1m s LYS 44 CO 0.21 -0.34 -0.02 1.03 -0.36 0.00 0.00 175.35 175.87 2c1m s ARG 45 N -3.14 2.17 0.00 4.03 1.81 -1.26 -5.34 118.95 117.22 2c1m s ARG 45 Ca 0.65 -1.54 0.00 0.00 -1.72 0.00 0.00 55.73 53.12 2c1m s ARG 45 Cb -0.16 -2.06 0.00 0.00 -0.45 0.00 0.00 34.95 32.28 2c1m s ARG 45 CO 0.20 0.29 0.36 0.54 -0.68 0.00 0.00 175.30 176.01