#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 -0.49 0.39 4.61 0.00 -1.26 -5.17 121.76 119.84 2jup s ALA 2 Ca 0.00 0.34 0.07 0.00 0.00 0.00 0.00 51.96 52.37 2jup s ALA 2 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.97 2jup s ALA 2 CO 0.00 -0.15 0.54 -0.08 0.00 0.00 0.00 175.76 176.06 2jup s THR 3 N -0.53 3.41 -0.01 0.00 -1.32 -1.26 -5.12 115.64 110.81 2jup s THR 3 Ca -0.06 -0.98 0.07 0.00 -1.21 0.00 0.00 61.69 59.50 2jup s THR 3 Cb -0.04 -3.16 -0.02 0.00 -1.51 0.00 0.00 72.50 67.77 2jup s THR 3 CO 0.01 -0.06 -0.22 0.00 -2.21 0.00 0.00 174.62 172.13 2jup s ALA 4 N -2.29 1.88 -0.20 11.08 0.00 -1.26 -5.11 121.76 125.85 2jup s ALA 4 Ca 0.51 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.49 2jup s ALA 4 Cb -0.10 -0.46 0.03 0.00 0.00 0.00 0.00 23.12 22.60 2jup s ALA 4 CO 0.32 0.46 -0.16 0.54 0.00 0.00 0.00 175.76 176.92 2jup s VAL 5 N -0.57 2.02 0.66 0.00 0.11 -1.26 -4.78 120.40 116.57 2jup s VAL 5 Ca 0.09 -1.14 -0.07 0.00 -2.93 0.00 0.00 61.98 57.93 2jup s VAL 5 Cb -0.09 -1.95 0.14 0.00 -1.53 0.00 0.00 36.38 32.96 2jup s VAL 5 CO -0.00 0.33 0.89 -1.20 -3.33 0.00 0.00 175.10 171.79 2jup n SER 6 N 4.58 0.48 -4.60 3.54 7.64 -1.26 -4.97 113.62 119.03 2jup n SER 6 Ca -0.18 -1.57 -0.43 0.00 1.01 0.00 0.00 58.87 57.70 2jup n SER 6 Cb 0.47 -0.65 -0.02 0.00 -1.01 0.00 0.00 64.21 63.00 2jup n SER 6 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2jup s GLU 7 N -4.86 3.56 -0.54 1.43 2.56 -1.26 -4.93 118.70 114.65 2jup s GLU 7 Ca 0.54 0.96 0.01 0.00 0.00 0.00 0.00 54.97 56.47 2jup s GLU 7 Cb -0.02 -4.03 0.14 0.00 2.00 0.00 0.00 34.13 32.21 2jup s GLU 7 CO 0.37 -1.58 0.31 -1.58 -0.56 0.00 0.00 175.26 172.22 2jup s TRP 8 N 5.51 3.36 0.63 5.30 0.23 -1.26 -2.40 118.94 130.31 2jup s TRP 8 Ca 0.62 -2.92 0.06 0.00 -2.03 0.00 0.00 56.10 51.83 2jup s TRP 8 Cb -0.14 -3.02 0.10 0.00 0.03 0.00 0.00 33.47 30.45 2jup s TRP 8 CO 0.33 -0.82 0.87 -0.08 0.96 0.00 0.00 176.95 178.20 2jup s THR 9 N 0.02 2.15 -0.40 2.01 -1.32 -1.24 -4.97 115.64 111.89 2jup s THR 9 Ca 0.16 -0.85 -0.08 0.00 -1.21 0.00 0.00 61.69 59.71 2jup s THR 9 Cb -0.23 -2.31 0.07 0.00 -1.51 0.00 0.00 72.50 68.53 2jup s THR 9 CO -0.02 0.00 0.22 -1.61 -2.21 0.00 0.00 174.62 170.99 2jup s GLU 10 N -4.84 2.53 -0.64 7.08 2.02 -1.26 -3.39 118.70 120.19 2jup s GLU 10 Ca 0.64 -1.45 0.05 0.00 0.02 0.00 0.00 54.97 54.23 2jup s GLU 10 Cb -0.06 -3.68 0.19 0.00 0.10 0.00 0.00 34.13 30.68 2jup s GLU 10 CO 0.41 -0.91 0.52 0.66 0.02 0.00 0.00 175.26 175.97 2jup n TYR 11 N 4.85 2.61 -3.11 1.61 4.01 0.17 -4.96 117.16 122.33 2jup n TYR 11 Ca -0.10 -4.12 -0.40 0.00 -0.16 0.00 0.00 57.90 53.13 2jup n TYR 11 Cb 0.43 -0.48 -0.06 0.00 -0.31 0.00 0.00 39.34 38.92 2jup n TYR 11 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 2jup s LYS 12 N -1.45 4.23 0.43 -0.72 -2.85 -1.24 -2.98 119.74 115.16 2jup s LYS 12 Ca 0.29 0.64 -0.06 0.00 -1.00 0.00 0.00 55.97 55.85 2jup s LYS 12 Cb 0.02 -3.57 0.10 0.00 -2.06 0.00 0.00 37.83 32.31 2jup s LYS 12 CO -0.14 -0.21 0.58 0.25 0.10 0.00 0.00 175.35 175.93 2jup n THR 13 N 4.61 0.00 1.27 3.79 -2.24 -1.14 -4.91 114.28 115.67 2jup n THR 13 Ca -0.01 -0.55 0.02 0.00 -2.27 0.00 0.00 64.05 61.24 2jup n THR 13 Cb 0.50 -1.58 0.12 0.00 -2.10 0.00 0.00 70.33 67.27 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 -3.27 2.16 0.54 6.98 0.00 -1.26 -2.39 120.51 123.27 2jup n ALA 14 Ca -0.09 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.44 2jup n ALA 14 Cb 0.28 -1.07 0.24 0.00 0.00 0.00 0.00 19.45 18.90 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 -3.46 116.42 116.13 2jup h ASP 15 Ca 0.00 -0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 2jup h ASP 15 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2jup h ASP 15 CO 0.00 0.06 0.00 0.61 -3.12 0.00 0.00 179.24 176.79 2jup n GLY 16 N 1.31 0.48 3.80 2.75 0.00 -1.01 -5.04 105.19 107.48 2jup n GLY 16 Ca 0.04 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.66 3.49 -0.77 1.61 2.47 -1.26 -5.01 119.74 119.60 2jup s LYS 17 Ca 0.00 -0.22 -0.25 0.00 -1.56 0.00 0.00 55.97 53.94 2jup s LYS 17 Cb 0.00 -3.14 0.05 0.00 -1.46 0.00 0.00 37.83 33.28 2jup s LYS 17 CO 0.00 0.66 1.22 0.99 0.16 0.00 0.00 175.35 178.38 2jup s THR 18 N -0.70 3.96 -0.04 3.43 2.01 -1.26 -2.89 115.64 120.16 2jup s THR 18 Ca 0.13 -0.08 -0.15 0.00 0.31 0.00 0.00 61.69 61.90 2jup s THR 18 Cb -0.12 -4.87 -0.05 0.00 0.01 0.00 0.00 72.50 67.47 2jup s THR 18 CO 0.03 -1.75 0.40 -0.47 -0.69 0.00 0.00 174.62 172.14 2jup s TYR 19 N 5.02 3.66 -0.13 4.92 5.04 -1.16 -4.60 117.35 130.10 2jup s TYR 19 Ca 0.33 0.93 -0.04 0.00 -2.44 0.00 0.00 57.07 55.84 2jup s TYR 19 Cb -0.09 -2.33 -0.04 0.00 0.35 0.00 0.00 41.96 39.85 2jup s TYR 19 CO 0.09 0.52 0.03 0.71 -1.34 0.00 0.00 175.55 175.56 2jup s TYR 20 N -0.62 3.23 -0.29 4.97 1.51 0.99 0.41 117.35 127.55 2jup s TYR 20 Ca 0.23 0.14 -0.03 0.00 -1.01 0.00 0.00 57.07 56.40 2jup s TYR 20 Cb -0.16 -1.92 0.03 0.00 -0.11 0.00 0.00 41.96 39.81 2jup s TYR 20 CO 0.12 0.35 0.00 -0.47 -1.11 0.00 0.00 175.55 174.44 2jup s TYR 21 N -0.37 3.18 -0.08 2.71 6.14 -1.22 -0.14 117.35 127.57 2jup s TYR 21 Ca 0.08 -1.59 -0.22 0.00 0.64 0.00 0.00 57.07 55.98 2jup s TYR 21 Cb -0.12 -2.13 -0.04 0.00 0.42 0.00 0.00 41.96 40.09 2jup s TYR 21 CO 0.02 -0.74 0.64 1.21 0.64 0.00 0.00 175.55 177.32 2jup s ASN 22 N 1.33 6.90 -0.84 4.32 3.04 0.19 -3.60 114.94 126.28 2jup s ASN 22 Ca -0.02 1.08 -0.03 0.00 0.04 0.00 0.00 52.86 53.93 2jup s ASN 22 Cb -0.18 -2.38 0.21 0.00 -1.54 0.00 0.00 41.25 37.36 2jup s ASN 22 CO -0.01 -0.09 2.30 -3.20 -3.04 0.00 0.00 177.10 173.06 2jup n ASN 23 N 3.77 7.25 0.00 -4.21 2.85 -1.01 0.90 115.26 124.81 2jup n ASN 23 Ca -0.03 -3.48 0.00 0.00 -0.11 0.00 0.00 54.58 50.96 2jup n ASN 23 Cb 0.51 -1.19 0.00 0.00 1.24 0.00 0.00 39.78 40.34 2jup n ASN 23 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 2jup n ARG 24 N 0.40 0.00 -0.95 1.20 0.63 -1.26 -4.50 116.66 112.19 2jup n ARG 24 Ca 0.53 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 57.41 2jup n ARG 24 Cb 0.34 -0.12 0.29 0.00 0.45 0.00 0.00 32.46 33.42 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 -0.01 2.84 -1.71 5.15 5.66 -1.26 -4.94 114.28 120.01 2jup n THR 25 Ca 0.00 -1.79 -0.01 0.00 -3.05 0.00 0.00 64.05 59.20 2jup n THR 25 Cb 0.00 -0.35 -0.01 0.00 -1.55 0.00 0.00 70.33 68.43 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 -0.34 -2.87 -4.15 1.09 4.77 -1.26 -5.13 117.00 109.12 2jup n LEU 26 Ca 0.39 0.39 -0.13 0.00 -0.03 0.00 0.00 56.01 56.63 2jup n LEU 26 Cb 1.31 -1.43 -0.11 0.00 -2.33 0.00 0.00 43.42 40.86 2jup n LEU 26 CO 0.39 -0.72 -0.41 -0.70 -1.33 0.00 0.00 177.39 174.62 2jup s GLU 27 N -0.76 0.77 0.10 3.23 2.56 0.26 -5.00 118.70 119.86 2jup s GLU 27 Ca -0.04 -1.12 0.09 0.00 0.00 0.00 0.00 54.97 53.91 2jup s GLU 27 Cb 0.00 -0.39 -0.04 0.00 2.00 0.00 0.00 34.13 35.70 2jup s GLU 27 CO 0.15 0.05 -0.22 -1.12 -0.56 0.00 0.00 175.26 173.56 2jup s SER 28 N -2.42 3.60 -0.03 -1.70 0.01 -1.26 0.52 113.70 112.42 2jup s SER 28 Ca 0.04 -0.61 -0.01 0.00 1.31 0.00 0.00 55.95 56.68 2jup s SER 28 Cb -0.02 -0.41 0.03 0.00 0.21 0.00 0.00 66.02 65.82 2jup s SER 28 CO -0.01 0.20 0.04 0.42 0.41 0.00 0.00 173.24 174.30 2jup s THR 29 N -1.04 -0.08 -0.04 1.44 -4.23 0.81 -4.87 115.64 107.62 2jup s THR 29 Ca 0.15 0.29 -0.23 0.00 -1.18 0.00 0.00 61.69 60.73 2jup s THR 29 Cb -0.10 -0.11 -0.17 0.00 1.34 0.00 0.00 72.50 73.46 2jup s THR 29 CO 0.07 0.12 1.01 -0.50 -0.54 0.00 0.00 174.62 174.78 2jup h TRP 30 N 7.70 -0.18 -4.41 3.99 4.06 -1.91 0.28 115.95 125.49 2jup h TRP 30 Ca -0.34 -0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.49 2jup h TRP 30 Cb 1.12 0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 29.33 2jup h TRP 30 CO 0.50 0.28 -0.05 0.39 -3.56 0.00 0.00 178.44 175.99 2jup n GLU 31 N -4.93 1.28 -1.57 0.49 -0.58 -1.26 -4.11 120.64 109.97 2jup n GLU 31 Ca -0.08 -0.72 -0.49 0.00 -0.42 0.00 0.00 57.16 55.45 2jup n GLU 31 Cb 0.27 0.07 -0.05 0.00 -0.57 0.00 0.00 31.44 31.15 2jup n GLU 31 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2jup n LYS 32 N -0.82 1.62 -1.38 3.49 5.02 -1.26 -4.70 118.16 120.13 2jup n LYS 32 Ca -0.00 0.51 -0.38 0.00 -2.02 0.00 0.00 58.31 56.43 2jup n LYS 32 Cb 0.13 -2.66 0.04 0.00 -0.02 0.00 0.00 35.03 32.53 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 7.64 0.40 0.29 1.97 -0.02 -1.26 -4.82 135.00 139.19 2jup n PRO 33 Ca 0.32 0.16 0.17 0.00 -2.02 0.00 0.00 63.50 62.13 2jup n PRO 33 Cb 0.29 -1.67 0.86 0.00 -0.02 0.00 0.00 33.50 32.97 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 0.02 0.00 -0.63 -0.52 1.08 -2.01 0.24 115.11 113.29 2jup h GLN 34 Ca -0.45 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 2jup h GLN 34 Cb 1.39 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.82 2jup h GLN 34 CO 0.45 0.05 0.00 0.39 -0.95 0.00 0.00 178.83 178.77 2jup n GLU 35 N -3.34 3.13 -2.35 1.46 -0.58 -1.26 -4.85 120.64 112.85 2jup n GLU 35 Ca -0.02 -2.67 -0.38 0.00 -0.42 0.00 0.00 57.16 53.68 2jup n GLU 35 Cb 0.20 -1.65 -0.03 0.00 -0.57 0.00 0.00 31.44 29.39 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 -1.38 3.27 0.00 -4.62 1.98 0.07 -4.54 118.68 113.46 2jup s LEU 36 Ca 0.46 -0.52 0.00 0.00 -2.89 0.00 0.00 54.13 51.18 2jup s LEU 36 Cb 0.27 -2.55 0.00 0.00 0.66 0.00 0.00 46.19 44.56 2jup s LEU 36 CO 0.27 -2.04 0.00 0.29 -1.89 0.00 0.00 176.35 172.98