#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jup n ALA 2 N 0.00 2.46 -2.87 4.61 0.00 -1.26 -4.88 120.51 118.56 2jup n ALA 2 Ca 0.00 -0.70 -0.44 0.00 0.00 0.00 0.00 53.44 52.30 2jup n ALA 2 Cb 0.00 -0.67 -0.06 0.00 0.00 0.00 0.00 19.45 18.72 2jup n ALA 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2jup s THR 3 N -1.59 4.86 -0.43 0.00 -4.23 -1.26 -4.99 115.64 108.00 2jup s THR 3 Ca 0.24 -0.65 0.03 0.00 -1.18 0.00 0.00 61.69 60.13 2jup s THR 3 Cb 0.17 -4.35 0.12 0.00 1.34 0.00 0.00 72.50 69.77 2jup s THR 3 CO 0.25 -0.90 0.17 0.00 -0.54 0.00 0.00 174.62 173.59 2jup s ALA 4 N 2.63 3.12 1.01 3.99 0.00 -1.26 -5.11 121.76 126.14 2jup s ALA 4 Ca 0.14 -2.89 -0.17 0.00 0.00 0.00 0.00 51.96 49.04 2jup s ALA 4 Cb -0.21 -2.11 0.23 0.00 0.00 0.00 0.00 23.12 21.04 2jup s ALA 4 CO 0.10 -1.86 1.34 1.33 0.00 0.00 0.00 175.76 176.68 2jup n VAL 5 N 3.74 0.00 -1.69 0.00 0.24 -1.26 -5.05 118.33 114.30 2jup n VAL 5 Ca 0.04 -0.98 -0.31 0.00 -2.04 0.00 0.00 64.34 61.06 2jup n VAL 5 Cb 0.37 -1.50 0.04 0.00 -1.47 0.00 0.00 33.84 31.29 2jup n VAL 5 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2jup s SER 6 N -5.88 5.67 -0.35 -1.34 0.01 -1.26 -4.94 113.70 105.60 2jup s SER 6 Ca 0.76 1.51 -0.29 0.00 1.31 0.00 0.00 55.95 59.25 2jup s SER 6 Cb -0.02 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.77 2jup s SER 6 CO 0.54 -1.24 1.38 -1.61 0.41 0.00 0.00 173.24 172.71 2jup s GLU 7 N -5.11 3.72 -0.35 12.44 2.02 -1.26 -4.93 118.70 125.23 2jup s GLU 7 Ca 0.57 1.11 -0.01 0.00 0.02 0.00 0.00 54.97 56.65 2jup s GLU 7 Cb -0.13 -3.97 0.08 0.00 0.10 0.00 0.00 34.13 30.22 2jup s GLU 7 CO 0.54 -1.37 0.09 -1.58 0.02 0.00 0.00 175.26 172.97 2jup s TRP 8 N 4.99 3.48 0.15 1.61 0.23 -1.26 -0.10 118.94 128.04 2jup s TRP 8 Ca 0.60 -2.28 0.01 0.00 -2.03 0.00 0.00 56.10 52.40 2jup s TRP 8 Cb -0.16 -2.70 0.03 0.00 0.03 0.00 0.00 33.47 30.67 2jup s TRP 8 CO 0.29 -0.90 0.21 -2.37 0.96 0.00 0.00 176.95 175.14 2jup n THR 9 N 4.55 0.00 -3.82 2.01 5.66 -1.14 -4.94 114.28 116.60 2jup n THR 9 Ca -0.06 -0.41 -0.37 0.00 -3.05 0.00 0.00 64.05 60.16 2jup n THR 9 Cb 0.42 -1.08 -0.13 0.00 -1.55 0.00 0.00 70.33 68.00 2jup n THR 9 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2jup s GLU 10 N -2.82 2.53 -0.50 1.09 2.02 -1.26 -3.44 118.70 116.31 2jup s GLU 10 Ca 0.15 -1.23 0.03 0.00 0.02 0.00 0.00 54.97 53.94 2jup s GLU 10 Cb -0.01 -3.35 0.15 0.00 0.10 0.00 0.00 34.13 31.02 2jup s GLU 10 CO 0.10 -0.66 0.32 0.71 0.02 0.00 0.00 175.26 175.76 2jup s TYR 11 N 1.33 2.26 -0.22 1.61 2.02 0.12 -4.92 117.35 119.55 2jup s TYR 11 Ca -0.03 -2.67 -0.19 0.00 -0.37 0.00 0.00 57.07 53.81 2jup s TYR 11 Cb -0.20 -1.95 -0.03 0.00 -0.40 0.00 0.00 41.96 39.39 2jup s TYR 11 CO 0.01 -0.73 0.56 0.15 -1.57 0.00 0.00 175.55 173.97 2jup s LYS 12 N -0.18 4.16 0.79 -0.62 3.01 -1.25 -2.89 119.74 122.75 2jup s LYS 12 Ca 0.22 0.46 -0.09 0.00 -1.01 0.00 0.00 55.97 55.55 2jup s LYS 12 Cb -0.14 -3.60 0.17 0.00 -1.01 0.00 0.00 37.83 33.26 2jup s LYS 12 CO -0.08 -0.25 1.08 0.25 0.51 0.00 0.00 175.35 176.86 2jup n THR 13 N 4.80 0.00 1.30 2.17 -2.24 -1.20 -4.94 114.28 114.18 2jup n THR 13 Ca -0.03 -1.07 0.12 0.00 -2.27 0.00 0.00 64.05 60.80 2jup n THR 13 Cb 0.50 -1.34 0.66 0.00 -2.10 0.00 0.00 70.33 68.06 2jup n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jup n ALA 14 N -3.45 2.31 0.63 6.98 0.00 -1.26 -2.26 120.51 123.46 2jup n ALA 14 Ca -0.18 -0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.25 2jup n ALA 14 Cb 0.52 -1.40 0.46 0.00 0.00 0.00 0.00 19.45 19.03 2jup n ALA 14 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jup n ASP 15 N -1.19 0.46 -0.16 0.00 -0.08 -1.26 -4.90 116.55 109.42 2jup n ASP 15 Ca 0.14 0.57 0.00 0.00 -1.51 0.00 0.00 54.79 53.99 2jup n ASP 15 Cb 0.16 -0.68 0.00 0.00 2.34 0.00 0.00 41.12 42.94 2jup n ASP 15 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jup n GLY 16 N 0.80 0.63 3.40 0.27 0.00 -0.96 -5.07 105.19 104.28 2jup n GLY 16 Ca 0.05 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.99 2jup n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jup s LYS 17 N -4.12 1.95 -1.07 1.61 -0.14 -1.26 -5.02 119.74 111.70 2jup s LYS 17 Ca 0.00 -1.04 -0.19 0.00 -1.36 0.00 0.00 55.97 53.38 2jup s LYS 17 Cb 0.00 -2.09 0.10 0.00 -1.68 0.00 0.00 37.83 34.16 2jup s LYS 17 CO 0.00 0.53 1.38 0.99 -0.76 0.00 0.00 175.35 177.49 2jup s THR 18 N -0.86 4.45 0.04 2.17 2.01 -1.26 -3.21 115.64 118.98 2jup s THR 18 Ca 0.13 -1.59 -0.21 0.00 0.31 0.00 0.00 61.69 60.33 2jup s THR 18 Cb -0.10 -4.96 -0.06 0.00 0.01 0.00 0.00 72.50 67.39 2jup s THR 18 CO 0.04 -1.74 0.61 -0.47 -0.69 0.00 0.00 174.62 172.36 2jup s TYR 19 N 3.41 3.75 -0.06 4.92 5.04 -1.14 -4.68 117.35 128.59 2jup s TYR 19 Ca 0.42 1.27 -0.03 0.00 -2.44 0.00 0.00 57.07 56.30 2jup s TYR 19 Cb -0.02 -2.59 -0.04 0.00 0.35 0.00 0.00 41.96 39.67 2jup s TYR 19 CO -0.05 0.45 0.07 0.71 -1.34 0.00 0.00 175.55 175.39 2jup s TYR 20 N -0.60 3.32 -0.18 4.97 2.02 0.11 0.13 117.35 127.12 2jup s TYR 20 Ca 0.31 0.28 -0.02 0.00 -0.37 0.00 0.00 57.07 57.27 2jup s TYR 20 Cb -0.19 -1.81 -0.01 0.00 -0.40 0.00 0.00 41.96 39.56 2jup s TYR 20 CO 0.19 0.57 -0.10 -0.47 -1.57 0.00 0.00 175.55 174.17 2jup s TYR 21 N -1.04 2.88 -0.26 2.71 6.14 -1.22 -0.40 117.35 126.14 2jup s TYR 21 Ca 0.18 -0.91 -0.29 0.00 0.64 0.00 0.00 57.07 56.69 2jup s TYR 21 Cb -0.12 -1.97 -0.00 0.00 0.42 0.00 0.00 41.96 40.29 2jup s TYR 21 CO 0.07 -0.44 1.31 1.21 0.64 0.00 0.00 175.55 178.35 2jup s ASN 22 N 0.98 6.72 0.00 4.32 3.84 0.24 -2.91 114.94 128.13 2jup s ASN 22 Ca -0.01 1.35 0.20 0.00 0.21 0.00 0.00 52.86 54.61 2jup s ASN 22 Cb -0.15 -2.54 0.54 0.00 -0.55 0.00 0.00 41.25 38.56 2jup s ASN 22 CO -0.01 -1.02 1.45 0.59 -2.79 0.00 0.00 177.10 175.33 2jup n ASN 23 N 7.44 3.24 0.00 -4.21 4.13 0.85 -0.96 115.26 125.75 2jup n ASN 23 Ca 0.15 -1.98 0.00 0.00 1.68 0.00 0.00 54.58 54.42 2jup n ASN 23 Cb 0.46 -0.38 0.00 0.00 -1.54 0.00 0.00 39.78 38.33 2jup n ASN 23 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 2jup n ARG 24 N 1.28 0.00 -0.18 3.52 0.63 -1.26 -4.37 116.66 116.29 2jup n ARG 24 Ca 0.20 0.03 0.10 0.00 -0.92 0.00 0.00 57.85 57.26 2jup n ARG 24 Cb 0.52 -0.85 0.19 0.00 0.45 0.00 0.00 32.46 32.77 2jup n ARG 24 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 2jup n THR 25 N -0.58 0.57 -1.88 5.15 5.66 -1.26 -5.00 114.28 116.93 2jup n THR 25 Ca 0.00 -0.79 -0.00 0.00 -3.05 0.00 0.00 64.05 60.21 2jup n THR 25 Cb 0.00 0.89 0.00 0.00 -1.55 0.00 0.00 70.33 69.67 2jup n THR 25 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2jup n LEU 26 N 1.24 -3.86 -4.17 1.09 4.77 -1.14 -5.13 117.00 109.80 2jup n LEU 26 Ca 0.17 0.41 -0.12 0.00 -0.03 0.00 0.00 56.01 56.44 2jup n LEU 26 Cb 0.54 -1.73 -0.09 0.00 -2.33 0.00 0.00 43.42 39.81 2jup n LEU 26 CO 0.13 -0.96 -0.15 -0.70 -1.33 0.00 0.00 177.39 174.38 2jup s GLU 27 N -0.63 1.33 0.11 3.23 2.12 -0.13 -4.98 118.70 119.75 2jup s GLU 27 Ca 0.01 -1.61 0.08 0.00 0.36 0.00 0.00 54.97 53.81 2jup s GLU 27 Cb -0.00 0.31 -0.04 0.00 0.26 0.00 0.00 34.13 34.66 2jup s GLU 27 CO 0.24 -0.47 -0.15 -1.12 -0.54 0.00 0.00 175.26 173.22 2jup s SER 28 N -3.16 4.08 -0.03 -1.70 0.01 -1.26 0.79 113.70 112.42 2jup s SER 28 Ca 0.36 -0.49 -0.01 0.00 1.31 0.00 0.00 55.95 57.13 2jup s SER 28 Cb 0.05 -0.66 0.03 0.00 0.21 0.00 0.00 66.02 65.65 2jup s SER 28 CO 0.13 0.18 0.04 0.42 0.41 0.00 0.00 173.24 174.43 2jup s THR 29 N -1.16 -0.07 0.00 1.44 -4.23 0.46 -4.82 115.64 107.25 2jup s THR 29 Ca 0.19 0.32 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 2jup s THR 29 Cb -0.11 -0.13 0.00 0.00 1.34 0.00 0.00 72.50 73.61 2jup s THR 29 CO 0.11 0.14 0.48 0.79 -0.54 0.00 0.00 174.62 175.60 2jup n TRP 30 N 4.77 0.00 -3.26 3.99 7.02 -1.26 0.07 117.44 128.77 2jup n TRP 30 Ca -0.15 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.33 2jup n TRP 30 Cb 0.50 -0.41 0.00 0.00 -2.42 0.00 0.00 31.31 28.98 2jup n TRP 30 CO 0.00 0.00 0.00 -0.85 -2.02 0.00 0.00 177.69 174.82 2jup n GLU 31 N -1.73 1.82 -1.47 -0.99 0.28 -1.26 -3.43 120.64 113.86 2jup n GLU 31 Ca 0.00 0.00 -0.60 0.00 -0.16 0.00 0.00 57.16 56.40 2jup n GLU 31 Cb 0.00 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 32.77 2jup n GLU 31 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2jup n LYS 32 N -0.45 0.37 -0.62 3.44 5.02 -1.26 -4.85 118.16 119.80 2jup n LYS 32 Ca 0.00 0.12 -0.30 0.00 -2.02 0.00 0.00 58.31 56.10 2jup n LYS 32 Cb 0.00 -1.76 0.18 0.00 -0.02 0.00 0.00 35.03 33.43 2jup n LYS 32 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2jup n PRO 33 N 6.50 -1.90 -0.23 1.97 -0.02 -1.01 -4.91 135.00 135.40 2jup n PRO 33 Ca 0.43 -0.54 -0.04 0.00 -2.02 0.00 0.00 63.50 61.32 2jup n PRO 33 Cb 0.03 -1.70 0.12 0.00 -0.02 0.00 0.00 33.50 31.93 2jup n PRO 33 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 2jup h GLN 34 N -2.25 1.06 0.14 -0.52 3.07 -2.05 -3.24 115.11 111.32 2jup h GLN 34 Ca -0.50 -0.20 -0.01 0.00 0.09 0.00 0.00 58.65 58.03 2jup h GLN 34 Cb 1.29 -0.17 0.00 0.00 0.08 0.00 0.00 27.48 28.68 2jup h GLN 34 CO 0.36 0.88 -0.07 0.93 0.09 0.00 0.00 178.83 181.02 2jup h GLU 35 N 1.03 -0.18 -6.41 0.06 5.08 -2.02 -3.44 114.58 108.70 2jup h GLU 35 Ca 0.23 0.01 -0.57 0.00 -1.00 0.00 0.00 59.36 58.04 2jup h GLU 35 Cb 0.23 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 2jup h GLU 35 CO -0.02 -0.12 1.06 -1.17 -1.00 0.00 0.00 179.01 177.76 2jup s LEU 36 N -6.85 3.74 0.00 1.33 2.96 -1.22 -5.10 118.68 113.54 2jup s LEU 36 Ca -0.03 1.13 0.00 0.00 -0.22 0.00 0.00 54.13 55.01 2jup s LEU 36 Cb 0.00 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.16 2jup s LEU 36 CO 0.08 -1.29 0.16 2.29 -1.32 0.00 0.00 176.35 176.27