#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 0.56 -2.93 4.61 0.00 -1.26 -5.13 120.51 116.37 2jup n ALA 2 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 2jup n ALA 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -1.00 5.03 -0.02 0.00 -4.23 -1.26 -5.12 115.64 109.04 2jup s THR 3 Ca 0.00 -1.09 0.07 0.00 -1.18 0.00 0.00 61.69 59.49 2jup s THR 3 Cb 0.00 -3.72 -0.02 0.00 1.34 0.00 0.00 72.50 70.10 2jup s THR 3 CO 0.00 -0.32 -0.24 0.00 -0.54 0.00 0.00 174.62 173.52 2jup s ALA 4 N -2.01 1.99 -0.09 3.99 0.00 -1.26 -5.11 121.76 119.28 2jup s ALA 4 Ca 0.34 -1.03 -0.30 0.00 0.00 0.00 0.00 51.96 50.97 2jup s ALA 4 Cb -0.09 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 2jup s ALA 4 CO 0.28 0.48 1.04 0.08 0.00 0.00 0.00 175.76 177.64 2jup s VAL 5 N -0.53 4.68 0.92 0.00 1.01 -1.26 -4.97 120.40 120.25 2jup s VAL 5 Ca 0.08 1.96 -0.15 0.00 0.00 0.00 0.00 61.98 63.87 2jup s VAL 5 Cb -0.09 -4.26 0.17 0.00 0.00 0.00 0.00 36.38 32.20 2jup s VAL 5 CO -0.01 0.02 1.28 -0.44 0.00 0.00 0.00 175.10 175.95 2jup s SER 6 N 1.16 3.50 -0.45 3.32 0.01 -1.26 -4.95 113.70 115.02 2jup s SER 6 Ca 0.50 0.40 -0.29 0.00 1.31 0.00 0.00 55.95 57.88 2jup s SER 6 Cb -0.20 -0.57 0.01 0.00 0.21 0.00 0.00 66.02 65.48 2jup s SER 6 CO 0.20 -2.50 1.42 -1.61 0.41 0.00 0.00 173.24 171.15 2jup s GLU 7 N -5.80 3.50 -0.37 12.44 8.01 -1.26 -4.94 118.70 130.28 2jup s GLU 7 Ca 0.71 0.83 -0.00 0.00 0.01 0.00 0.00 54.97 56.51 2jup s GLU 7 Cb -0.06 -4.05 0.10 0.00 -4.31 0.00 0.00 34.13 25.81 2jup s GLU 7 CO 0.52 -1.67 0.12 -1.58 0.01 0.00 0.00 175.26 172.66 2jup s TRP 8 N 5.63 3.59 0.31 1.61 0.23 -1.26 -1.67 118.94 127.38 2jup s TRP 8 Ca 0.60 -2.53 0.02 0.00 -2.03 0.00 0.00 56.10 52.16 2jup s TRP 8 Cb -0.13 -2.94 -0.03 0.00 0.03 0.00 0.00 33.47 30.39 2jup s TRP 8 CO 0.31 -0.94 0.48 -0.08 0.96 0.00 0.00 176.95 177.68 2jup s THR 9 N 1.08 5.16 -0.66 2.01 -1.32 -1.24 -4.92 115.64 115.76 2jup s THR 9 Ca 0.07 -0.64 -0.15 0.00 -1.21 0.00 0.00 61.69 59.76 2jup s THR 9 Cb -0.21 -3.86 0.17 0.00 -1.51 0.00 0.00 72.50 67.09 2jup s THR 9 CO -0.05 -0.48 0.60 -1.61 -2.21 0.00 0.00 174.62 170.87 2jup s GLU 10 N -4.19 3.22 -0.44 7.08 8.01 -1.26 -2.98 118.70 128.14 2jup s GLU 10 Ca 0.38 -2.04 0.03 0.00 0.01 0.00 0.00 54.97 53.36 2jup s GLU 10 Cb -0.09 -4.33 0.12 0.00 -4.31 0.00 0.00 34.13 25.52 2jup s GLU 10 CO 0.34 -1.31 0.19 -0.47 0.01 0.00 0.00 175.26 174.02 2jup s TYR 11 N 0.97 2.97 -0.14 1.61 6.14 0.15 -4.98 117.35 124.07 2jup s TYR 11 Ca 0.09 -2.86 -0.21 0.00 0.64 0.00 0.00 57.07 54.74 2jup s TYR 11 Cb -0.22 -2.57 -0.03 0.00 0.42 0.00 0.00 41.96 39.56 2jup s TYR 11 CO -0.02 -0.82 0.60 -1.59 0.64 0.00 0.00 175.55 174.36 2jup s LYS 12 N 0.31 4.31 0.45 4.97 -2.85 -1.26 -3.07 119.74 122.60 2jup s LYS 12 Ca 0.15 0.62 -0.05 0.00 -1.00 0.00 0.00 55.97 55.69 2jup s LYS 12 Cb -0.23 -3.50 0.10 0.00 -2.06 0.00 0.00 37.83 32.14 2jup s LYS 12 CO -0.04 -0.04 0.61 0.25 0.10 0.00 0.00 175.35 176.23 2jup n THR 13 N 4.14 0.00 1.30 3.79 -2.24 -1.20 -4.91 114.28 115.15 2jup n THR 13 Ca -0.03 -0.60 0.11 0.00 -2.27 0.00 0.00 64.05 61.26 2jup n THR 13 Cb 0.51 -1.53 0.63 0.00 -2.10 0.00 0.00 70.33 67.83 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 -3.26 2.28 0.52 6.98 0.00 -1.26 -1.64 120.51 124.13 2jup n ALA 14 Ca -0.10 -0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.34 2jup n ALA 14 Cb 0.29 -1.36 0.39 0.00 0.00 0.00 0.00 19.45 18.78 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 -0.07 0.00 5.19 -2.02 -3.47 116.42 116.06 2jup h ASP 15 Ca 0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 2jup h ASP 15 Cb 0.04 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.55 2jup h ASP 15 CO 0.00 0.00 -0.02 0.61 -3.12 0.00 0.00 179.24 176.71 2jup n GLY 16 N 1.04 0.41 3.52 2.75 0.00 -0.65 -5.04 105.19 107.22 2jup n GLY 16 Ca 0.05 -0.99 -0.28 0.00 0.00 0.00 0.00 46.02 44.79 2jup n GLY 16 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jup s LYS 17 N -2.71 1.90 -0.77 1.61 2.20 -1.26 -5.00 119.74 115.71 2jup s LYS 17 Ca 0.00 -1.22 -0.23 0.00 -0.36 0.00 0.00 55.97 54.16 2jup s LYS 17 Cb 0.00 -2.13 0.07 0.00 -1.51 0.00 0.00 37.83 34.26 2jup s LYS 17 CO 0.00 0.46 1.14 0.99 -0.36 0.00 0.00 175.35 177.58 2jup s THR 18 N -1.40 4.18 -0.13 3.43 2.01 -1.26 -3.27 115.64 119.19 2jup s THR 18 Ca 0.21 -0.41 -0.06 0.00 0.31 0.00 0.00 61.69 61.74 2jup s THR 18 Cb -0.10 -4.81 -0.04 0.00 0.01 0.00 0.00 72.50 67.56 2jup s THR 18 CO 0.12 -1.64 0.09 -0.47 -0.69 0.00 0.00 174.62 172.04 2jup s TYR 19 N 4.40 3.41 -0.03 4.92 5.04 -1.17 -4.24 117.35 129.68 2jup s TYR 19 Ca 0.30 0.35 -0.00 0.00 -2.44 0.00 0.00 57.07 55.28 2jup s TYR 19 Cb -0.10 -1.96 -0.04 0.00 0.35 0.00 0.00 41.96 40.22 2jup s TYR 19 CO 0.05 0.52 0.03 0.71 -1.34 0.00 0.00 175.55 175.52 2jup s TYR 20 N -0.58 3.17 -0.33 4.97 2.02 0.15 0.34 117.35 127.09 2jup s TYR 20 Ca 0.12 0.16 -0.04 0.00 -0.37 0.00 0.00 57.07 56.94 2jup s TYR 20 Cb -0.12 -1.73 0.06 0.00 -0.40 0.00 0.00 41.96 39.76 2jup s TYR 20 CO 0.02 0.50 0.07 -0.47 -1.57 0.00 0.00 175.55 174.10 2jup s TYR 21 N -1.04 3.31 -0.20 2.71 6.14 -1.16 -0.45 117.35 126.66 2jup s TYR 21 Ca 0.18 -1.80 -0.29 0.00 0.64 0.00 0.00 57.07 55.80 2jup s TYR 21 Cb -0.12 -2.36 -0.02 0.00 0.42 0.00 0.00 41.96 39.89 2jup s TYR 21 CO 0.08 -0.81 1.37 1.21 0.64 0.00 0.00 175.55 178.04 2jup s ASN 22 N 1.42 6.75 -0.10 4.32 3.84 0.77 -3.61 114.94 128.32 2jup s ASN 22 Ca -0.02 1.59 0.19 0.00 0.21 0.00 0.00 52.86 54.83 2jup s ASN 22 Cb -0.20 -2.54 0.71 0.00 -0.55 0.00 0.00 41.25 38.67 2jup s ASN 22 CO -0.00 -0.95 1.62 -3.20 -2.79 0.00 0.00 177.10 171.77 2jup n ASN 23 N 7.25 4.65 0.00 -4.21 5.15 -0.67 -0.41 115.26 127.01 2jup n ASN 23 Ca 0.15 -2.39 0.00 0.00 -0.60 0.00 0.00 54.58 51.74 2jup n ASN 23 Cb 0.45 -0.56 0.00 0.00 -0.53 0.00 0.00 39.78 39.14 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 1.18 0.00 -0.61 1.20 0.63 -1.26 -4.25 116.66 113.55 2jup n ARG 24 Ca 0.26 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 57.27 2jup n ARG 24 Cb 0.85 -0.78 0.34 0.00 0.45 0.00 0.00 32.46 33.32 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 -0.43 2.02 -2.16 5.15 -2.24 -1.26 -4.98 114.28 110.39 2jup n THR 25 Ca 0.00 -1.33 -0.00 0.00 -2.27 0.00 0.00 64.05 60.45 2jup n THR 25 Cb 0.00 0.03 -0.00 0.00 -2.10 0.00 0.00 70.33 68.26 2jup n THR 25 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2jup n LEU 26 N 0.73 -5.26 -4.07 3.22 -0.00 -1.25 -5.11 117.00 105.27 2jup n LEU 26 Ca 0.24 0.78 -0.09 0.00 -0.00 0.00 0.00 56.01 56.94 2jup n LEU 26 Cb 0.91 -2.27 -0.09 0.00 -0.00 0.00 0.00 43.42 41.97 2jup n LEU 26 CO 0.23 -1.75 -0.20 -0.70 -0.00 0.00 0.00 177.39 174.97 2jup s GLU 27 N -0.88 0.97 0.12 1.96 2.56 0.45 -5.02 118.70 118.86 2jup s GLU 27 Ca -0.00 -1.31 0.09 0.00 0.00 0.00 0.00 54.97 53.75 2jup s GLU 27 Cb 0.00 0.29 -0.04 0.00 2.00 0.00 0.00 34.13 36.38 2jup s GLU 27 CO 0.42 -0.30 -0.17 -1.12 -0.56 0.00 0.00 175.26 173.54 2jup s SER 28 N -3.00 3.95 -0.02 -1.70 0.01 -1.26 -0.17 113.70 111.50 2jup s SER 28 Ca 0.19 -0.54 -0.00 0.00 1.31 0.00 0.00 55.95 56.91 2jup s SER 28 Cb 0.06 -0.58 0.02 0.00 0.21 0.00 0.00 66.02 65.74 2jup s SER 28 CO -0.01 0.18 0.04 0.42 0.41 0.00 0.00 173.24 174.28 2jup s THR 29 N -1.16 -0.04 0.00 1.44 -4.23 0.40 -4.83 115.64 107.22 2jup s THR 29 Ca 0.18 0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.85 2jup s THR 29 Cb -0.11 -0.09 0.00 0.00 1.34 0.00 0.00 72.50 73.65 2jup s THR 29 CO 0.11 0.06 0.11 0.79 -0.54 0.00 0.00 174.62 175.15 2jup n TRP 30 N 3.90 0.00 -3.58 3.99 7.02 -1.26 0.32 117.44 127.83 2jup n TRP 30 Ca -0.24 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.00 2jup n TRP 30 Cb 0.53 0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.44 2jup n TRP 30 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 2jup s GLU 31 N -0.21 2.25 0.00 -0.99 2.02 -1.26 -2.93 118.70 117.58 2jup s GLU 31 Ca 0.00 -1.91 0.00 0.00 0.02 0.00 0.00 54.97 53.08 2jup s GLU 31 Cb 0.00 -2.29 0.00 0.00 0.10 0.00 0.00 34.13 31.94 2jup s GLU 31 CO 0.00 -0.75 0.00 1.63 0.02 0.00 0.00 175.26 176.16 2jup n LYS 32 N -1.97 0.00 -0.61 1.61 5.02 -1.26 -4.91 118.16 116.04 2jup n LYS 32 Ca 0.05 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.03 2jup n LYS 32 Cb 0.63 0.00 0.20 0.00 -0.02 0.00 0.00 35.03 35.85 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 0.00 -1.95 0.12 1.97 -0.02 -1.26 -4.86 135.00 128.99 2jup n PRO 33 Ca 0.00 -0.55 -0.13 0.00 -2.02 0.00 0.00 63.50 60.80 2jup n PRO 33 Cb 0.00 -1.83 -0.06 0.00 -0.02 0.00 0.00 33.50 31.59 2jup n PRO 33 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2jup h GLN 34 N -2.29 -0.54 -0.08 -0.52 -0.00 -2.03 -1.77 115.11 107.87 2jup h GLN 34 Ca -0.57 0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.12 2jup h GLN 34 Cb 1.36 0.12 0.00 0.00 0.00 0.00 0.00 27.48 28.96 2jup h GLN 34 CO 0.42 -0.36 0.00 0.39 0.00 0.00 0.00 178.83 179.28 2jup n GLU 35 N -5.43 1.19 -3.02 1.69 -0.58 -1.26 -4.56 120.64 108.67 2jup n GLU 35 Ca -0.07 -0.30 -0.44 0.00 -0.42 0.00 0.00 57.16 55.93 2jup n GLU 35 Cb 0.34 -1.10 -0.03 0.00 -0.57 0.00 0.00 31.44 30.07 2jup n GLU 35 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2jup s LEU 36 N -1.08 5.20 0.00 -4.62 1.98 -0.67 -4.86 118.68 114.63 2jup s LEU 36 Ca 0.09 -1.66 0.08 0.00 -2.89 0.00 0.00 54.13 49.75 2jup s LEU 36 Cb 0.04 -2.35 0.06 0.00 0.66 0.00 0.00 46.19 44.61 2jup s LEU 36 CO 0.06 -1.12 0.75 1.17 -1.89 0.00 0.00 176.35 175.33