#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jup s ALA 2 N 0.00 -0.13 -0.08 4.61 0.00 -1.26 -5.11 121.76 119.79 2jup s ALA 2 Ca 0.00 -1.08 -0.29 0.00 0.00 0.00 0.00 51.96 50.58 2jup s ALA 2 Cb 0.00 0.83 -0.06 0.00 0.00 0.00 0.00 23.12 23.89 2jup s ALA 2 CO 0.00 -0.91 1.88 0.99 0.00 0.00 0.00 175.76 177.71 2jup s THR 3 N -2.40 3.27 -0.13 0.00 2.01 -1.26 -4.96 115.64 112.18 2jup s THR 3 Ca 0.21 0.32 -0.16 0.00 0.31 0.00 0.00 61.69 62.37 2jup s THR 3 Cb -0.03 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 2jup s THR 3 CO 0.16 -0.07 0.41 0.00 -0.69 0.00 0.00 174.62 174.42 2jup s ALA 4 N 5.21 3.53 -0.07 7.40 0.00 -1.26 -5.07 121.76 131.50 2jup s ALA 4 Ca 0.84 -0.29 0.05 0.00 0.00 0.00 0.00 51.96 52.56 2jup s ALA 4 Cb -0.35 -2.54 -0.00 0.00 0.00 0.00 0.00 23.12 20.22 2jup s ALA 4 CO 0.35 0.06 -0.23 0.54 0.00 0.00 0.00 175.76 176.49 2jup s VAL 5 N 0.46 1.91 0.87 0.00 0.11 -1.26 -5.00 120.40 117.49 2jup s VAL 5 Ca 0.22 -0.96 -0.13 0.00 -2.93 0.00 0.00 61.98 58.18 2jup s VAL 5 Cb -0.14 -1.63 0.12 0.00 -1.53 0.00 0.00 36.38 33.20 2jup s VAL 5 CO 0.08 0.53 1.20 -0.44 -3.33 0.00 0.00 175.10 173.14 2jup s SER 6 N 0.07 3.91 -0.47 3.54 0.01 -1.26 -4.95 113.70 114.55 2jup s SER 6 Ca -0.09 0.72 -0.28 0.00 1.31 0.00 0.00 55.95 57.61 2jup s SER 6 Cb -0.15 -1.14 0.01 0.00 0.21 0.00 0.00 66.02 64.95 2jup s SER 6 CO 0.05 -2.27 1.42 -1.61 0.41 0.00 0.00 173.24 171.24 2jup s GLU 7 N -5.57 3.45 -0.20 12.44 0.41 -1.26 -4.95 118.70 123.02 2jup s GLU 7 Ca 0.65 0.75 -0.01 0.00 -0.41 0.00 0.00 54.97 55.94 2jup s GLU 7 Cb -0.10 -4.07 0.01 0.00 -1.78 0.00 0.00 34.13 28.18 2jup s GLU 7 CO 0.51 -1.73 -0.13 -1.58 -0.49 0.00 0.00 175.26 171.84 2jup s TRP 8 N 5.75 2.86 0.40 1.61 0.23 -1.26 -1.26 118.94 127.27 2jup s TRP 8 Ca 0.58 -1.30 0.08 0.00 -2.03 0.00 0.00 56.10 53.43 2jup s TRP 8 Cb -0.12 -2.00 -0.06 0.00 0.03 0.00 0.00 33.47 31.31 2jup s TRP 8 CO 0.30 -0.67 0.09 -0.08 0.96 0.00 0.00 176.95 177.54 2jup s THR 9 N 1.35 2.25 -0.46 2.01 -1.32 -1.23 -4.98 115.64 113.27 2jup s THR 9 Ca 0.05 -1.85 -0.14 0.00 -1.21 0.00 0.00 61.69 58.54 2jup s THR 9 Cb -0.14 -2.96 0.08 0.00 -1.51 0.00 0.00 72.50 67.97 2jup s THR 9 CO -0.08 -0.04 0.36 -1.61 -2.21 0.00 0.00 174.62 171.05 2jup s GLU 10 N -3.80 2.87 -0.49 7.08 0.41 -1.26 -3.31 118.70 120.20 2jup s GLU 10 Ca 0.38 -1.41 0.03 0.00 -0.41 0.00 0.00 54.97 53.56 2jup s GLU 10 Cb 0.05 -4.04 0.14 0.00 -1.78 0.00 0.00 34.13 28.50 2jup s GLU 10 CO 0.20 -1.03 0.27 0.71 -0.49 0.00 0.00 175.26 174.92 2jup s TYR 11 N 1.57 2.47 -0.23 1.61 2.02 0.18 -4.99 117.35 119.98 2jup s TYR 11 Ca 0.04 -2.74 -0.16 0.00 -0.37 0.00 0.00 57.07 53.84 2jup s TYR 11 Cb -0.24 -2.22 -0.04 0.00 -0.40 0.00 0.00 41.96 39.06 2jup s TYR 11 CO 0.05 -0.75 0.42 0.15 -1.57 0.00 0.00 175.55 173.85 2jup s LYS 12 N -0.02 4.11 0.84 -0.62 1.02 -1.26 -3.01 119.74 120.80 2jup s LYS 12 Ca 0.19 0.19 -0.12 0.00 0.02 0.00 0.00 55.97 56.24 2jup s LYS 12 Cb -0.22 -3.59 0.19 0.00 -0.52 0.00 0.00 37.83 33.68 2jup s LYS 12 CO -0.02 -0.17 1.14 0.25 -0.92 0.00 0.00 175.35 175.63 2jup n THR 13 N 4.73 0.00 0.55 2.17 -2.24 -1.20 -4.90 114.28 113.39 2jup n THR 13 Ca -0.07 -0.97 0.07 0.00 -2.27 0.00 0.00 64.05 60.81 2jup n THR 13 Cb 0.51 -1.45 0.33 0.00 -2.10 0.00 0.00 70.33 67.62 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 -3.62 1.71 0.36 6.98 0.00 -1.26 -1.41 120.51 123.27 2jup n ALA 14 Ca -0.19 -0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.34 2jup n ALA 14 Cb 0.52 -1.24 0.48 0.00 0.00 0.00 0.00 19.45 19.21 2jup n ALA 14 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2jup h ASP 15 N 0.00 0.00 0.00 0.00 5.19 -2.02 -3.46 116.42 116.12 2jup h ASP 15 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2jup h ASP 15 Cb 0.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.75 2jup h ASP 15 CO 0.00 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 2jup n GLY 16 N 0.46 0.41 3.57 2.75 0.00 -0.50 -5.06 105.19 106.82 2jup n GLY 16 Ca 0.03 -0.89 -0.25 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.76 2.05 -0.45 1.61 1.02 -1.26 -4.99 119.74 113.96 2jup s LYS 17 Ca 0.00 -1.44 -0.25 0.00 0.02 0.00 0.00 55.97 54.31 2jup s LYS 17 Cb 0.00 -2.07 0.03 0.00 -0.52 0.00 0.00 37.83 35.27 2jup s LYS 17 CO 0.00 0.39 0.88 0.99 -0.92 0.00 0.00 175.35 176.69 2jup s THR 18 N -2.10 4.54 -0.03 2.17 2.01 -1.26 -3.25 115.64 117.72 2jup s THR 18 Ca 0.28 0.67 0.06 0.00 0.31 0.00 0.00 61.69 63.02 2jup s THR 18 Cb -0.07 -4.39 -0.01 0.00 0.01 0.00 0.00 72.50 68.03 2jup s THR 18 CO 0.17 -0.78 -0.22 -0.47 -0.69 0.00 0.00 174.62 172.63 2jup s TYR 19 N 3.59 2.06 -0.05 4.92 5.04 -1.16 -4.17 117.35 127.57 2jup s TYR 19 Ca 0.35 -0.47 -0.01 0.00 -2.44 0.00 0.00 57.07 54.50 2jup s TYR 19 Cb -0.11 -1.34 -0.03 0.00 0.35 0.00 0.00 41.96 40.83 2jup s TYR 19 CO 0.25 -0.09 0.01 0.71 -1.34 0.00 0.00 175.55 175.08 2jup s TYR 20 N -0.37 3.14 -0.24 4.97 1.51 0.17 0.49 117.35 127.02 2jup s TYR 20 Ca 0.04 0.16 -0.03 0.00 -1.01 0.00 0.00 57.07 56.23 2jup s TYR 20 Cb -0.10 -1.75 0.00 0.00 -0.11 0.00 0.00 41.96 40.01 2jup s TYR 20 CO 0.01 0.47 -0.04 -0.47 -1.11 0.00 0.00 175.55 174.41 2jup s TYR 21 N -0.96 3.00 -0.18 2.71 6.14 -1.21 -0.54 117.35 126.31 2jup s TYR 21 Ca 0.16 -1.14 -0.29 0.00 0.64 0.00 0.00 57.07 56.44 2jup s TYR 21 Cb -0.11 -2.10 -0.00 0.00 0.42 0.00 0.00 41.96 40.16 2jup s TYR 21 CO 0.05 -0.61 1.00 1.21 0.64 0.00 0.00 175.55 177.84 2jup s ASN 22 N 1.43 7.13 -0.19 4.32 3.84 0.60 -3.49 114.94 128.58 2jup s ASN 22 Ca 0.04 1.40 0.16 0.00 0.21 0.00 0.00 52.86 54.67 2jup s ASN 22 Cb -0.15 -2.53 0.79 0.00 -0.55 0.00 0.00 41.25 38.80 2jup s ASN 22 CO -0.03 -0.55 1.71 -3.20 -2.79 0.00 0.00 177.10 172.23 2jup n ASN 23 N 5.71 5.35 0.00 -4.21 5.15 -0.39 -2.31 115.26 124.56 2jup n ASN 23 Ca 0.10 -2.73 0.00 0.00 -0.60 0.00 0.00 54.58 51.35 2jup n ASN 23 Cb 0.47 -0.64 0.00 0.00 -0.53 0.00 0.00 39.78 39.08 2jup n ASN 23 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 2jup n ARG 24 N 0.84 0.00 -0.58 1.20 0.63 -1.26 -4.47 116.66 113.03 2jup n ARG 24 Ca 0.27 0.00 0.08 0.00 -0.92 0.00 0.00 57.85 57.28 2jup n ARG 24 Cb 1.07 -0.55 0.32 0.00 0.45 0.00 0.00 32.46 33.75 2jup n ARG 24 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2jup n THR 25 N -0.29 2.01 -2.81 5.15 -2.24 -1.26 -4.93 114.28 109.91 2jup n THR 25 Ca 0.00 -1.37 -0.11 0.00 -2.27 0.00 0.00 64.05 60.31 2jup n THR 25 Cb 0.00 0.02 0.05 0.00 -2.10 0.00 0.00 70.33 68.30 2jup n THR 25 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2jup n LEU 26 N 0.60 -4.07 -4.95 3.22 4.77 -1.22 -5.06 117.00 110.30 2jup n LEU 26 Ca 0.23 -0.46 -0.21 0.00 -0.03 0.00 0.00 56.01 55.54 2jup n LEU 26 Cb 0.89 -2.34 -0.02 0.00 -2.33 0.00 0.00 43.42 39.62 2jup n LEU 26 CO 0.22 0.15 -0.06 -0.70 -1.33 0.00 0.00 177.39 175.67 2jup s GLU 27 N -4.35 3.33 0.07 3.23 2.12 -0.98 -4.96 118.70 117.17 2jup s GLU 27 Ca 0.19 -0.83 0.05 0.00 0.36 0.00 0.00 54.97 54.75 2jup s GLU 27 Cb -0.02 -2.83 -0.04 0.00 0.26 0.00 0.00 34.13 31.50 2jup s GLU 27 CO 0.51 0.40 -0.06 -1.12 -0.54 0.00 0.00 175.26 174.44 2jup s SER 28 N -3.97 4.64 -0.03 -1.70 0.01 -1.26 -0.29 113.70 111.11 2jup s SER 28 Ca 0.35 -0.26 -0.00 0.00 1.31 0.00 0.00 55.95 57.34 2jup s SER 28 Cb -0.09 -1.01 0.03 0.00 0.21 0.00 0.00 66.02 65.16 2jup s SER 28 CO 0.28 0.20 0.02 0.42 0.41 0.00 0.00 173.24 174.58 2jup s THR 29 N -1.19 0.02 0.00 1.44 -4.23 0.30 -4.87 115.64 107.11 2jup s THR 29 Ca 0.22 0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.91 2jup s THR 29 Cb -0.11 -0.16 0.00 0.00 1.34 0.00 0.00 72.50 73.57 2jup s THR 29 CO 0.13 0.12 0.18 0.79 -0.54 0.00 0.00 174.62 175.30 2jup n TRP 30 N 4.28 0.00 -2.74 3.99 7.02 -1.26 0.43 117.44 129.16 2jup n TRP 30 Ca -0.25 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.23 2jup n TRP 30 Cb 0.50 -0.07 0.00 0.00 -2.42 0.00 0.00 31.31 29.32 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 -0.72 1.53 -1.67 -0.99 0.28 -1.26 -2.94 120.64 114.86 2jup n GLU 31 Ca 0.00 0.00 -0.67 0.00 -0.16 0.00 0.00 57.16 56.33 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 -0.73 0.00 -0.88 3.44 5.02 -1.26 -4.79 118.16 118.96 2jup n LYS 32 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 2jup n LYS 32 Cb 0.00 -1.49 0.12 0.00 -0.02 0.00 0.00 35.03 33.64 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 4.45 -0.18 -0.36 1.97 -0.02 -1.21 -4.82 135.00 134.83 2jup n PRO 33 Ca 0.34 -0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.85 2jup n PRO 33 Cb -0.06 -1.93 0.20 0.00 -0.02 0.00 0.00 33.50 31.68 2jup n PRO 33 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2jup h GLN 34 N -1.36 1.10 0.02 -0.52 4.20 -2.02 -2.12 115.11 114.41 2jup h GLN 34 Ca -0.44 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.20 2jup h GLN 34 Cb 1.29 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.82 2jup h GLN 34 CO 0.37 0.73 -0.01 0.93 -0.67 0.00 0.00 178.83 180.18 2jup h GLU 35 N 1.13 -0.02 -3.26 1.46 5.08 -1.94 -3.38 114.58 113.64 2jup h GLU 35 Ca 0.44 0.00 -0.76 0.00 -1.00 0.00 0.00 59.36 58.04 2jup h GLU 35 Cb 0.23 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.32 2jup h GLU 35 CO -0.19 0.59 2.00 -0.11 -1.00 0.00 0.00 179.01 180.30 2jup n LEU 36 N -4.80 6.92 -0.43 1.33 7.94 -0.80 -5.13 117.00 122.02 2jup n LEU 36 Ca -0.09 -4.75 0.05 0.00 -1.11 0.00 0.00 56.01 50.12 2jup n LEU 36 Cb 0.31 -1.43 0.05 0.00 0.53 0.00 0.00 43.42 42.87 2jup n LEU 36 CO 0.33 1.55 0.42 1.17 -1.11 0.00 0.00 177.39 179.75