#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4s s SER 2 N 0.00 5.51 -0.43 1.61 0.15 -1.26 -5.06 113.70 114.22 1x4s s SER 2 Ca 0.00 -0.27 -0.20 0.00 0.70 0.00 0.00 55.95 56.17 1x4s s SER 2 Cb 0.00 -2.00 0.02 0.00 -1.71 0.00 0.00 66.02 62.33 1x4s s SER 2 CO 0.00 -0.10 0.61 -0.55 1.20 0.00 0.00 173.24 174.40 1x4s s SER 3 N 1.65 6.30 0.00 5.45 0.15 -1.26 -4.91 113.70 121.09 1x4s s SER 3 Ca 0.06 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.32 1x4s s SER 3 Cb -0.16 -2.30 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1x4s s SER 3 CO 0.06 -0.75 0.00 0.61 1.20 0.00 0.00 173.24 174.37 1x4s n GLY 4 N 5.04 2.49 3.60 9.45 0.00 -1.26 -5.14 105.19 119.38 1x4s n GLY 4 Ca -0.02 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 1x4s n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4s s SER 5 N 1.00 1.99 -0.17 1.61 0.01 -1.26 -5.02 113.70 111.86 1x4s s SER 5 Ca 0.00 1.40 -0.14 0.00 1.31 0.00 0.00 55.95 58.52 1x4s s SER 5 Cb 0.00 -2.10 -0.07 0.00 0.21 0.00 0.00 66.02 64.06 1x4s s SER 5 CO 0.00 -3.55 -0.30 -1.20 0.41 0.00 0.00 173.24 168.60 1x4s n SER 6 N -4.47 1.75 -4.77 2.44 7.64 -1.26 -5.05 113.62 109.91 1x4s n SER 6 Ca 0.05 0.30 -0.23 0.00 1.01 0.00 0.00 58.87 60.00 1x4s n SER 6 Cb 0.56 -0.68 0.09 0.00 -1.01 0.00 0.00 64.21 63.17 1x4s n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4s s GLY 7 N -5.01 1.76 -0.66 0.23 0.00 -1.26 -5.01 107.32 97.37 1x4s s GLY 7 Ca -0.27 -1.80 -0.01 0.00 0.00 0.00 0.00 44.72 42.63 1x4s s GLY 7 CO 0.38 -1.27 1.94 1.15 0.00 0.00 0.00 173.10 175.29 1x4s n MET 8 N -2.68 2.81 -4.25 2.90 -0.00 -1.26 -4.96 117.12 109.68 1x4s n MET 8 Ca 0.15 -3.44 -0.16 0.00 -0.00 0.00 0.00 57.70 54.24 1x4s n MET 8 Cb 0.61 -2.28 -0.11 0.00 -0.00 0.00 0.00 33.22 31.44 1x4s n MET 8 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1x4s s GLU 9 N -3.84 1.06 -1.10 3.17 2.02 -1.26 -5.07 118.70 113.68 1x4s s GLU 9 Ca 0.61 -1.36 -0.23 0.00 0.02 0.00 0.00 54.97 54.01 1x4s s GLU 9 Cb 0.49 -0.79 -0.07 0.00 0.10 0.00 0.00 34.13 33.85 1x4s s GLU 9 CO -0.08 0.13 1.94 -1.25 0.02 0.00 0.00 175.26 176.02 1x4s s PRO 10 N -3.21 2.52 -0.29 0.39 0.04 -1.26 -4.80 135.00 128.38 1x4s s PRO 10 Ca 0.13 -0.89 -0.21 0.00 0.04 0.00 0.00 61.00 60.07 1x4s s PRO 10 Cb -0.01 -5.19 0.17 0.00 0.04 0.00 0.00 34.50 29.51 1x4s s PRO 10 CO 0.02 -3.78 1.24 0.00 0.04 0.00 0.00 177.00 174.51 1x4s s ALA 11 N 10.69 -2.28 0.15 8.56 0.00 -1.26 -4.80 121.76 132.82 1x4s s ALA 11 Ca 0.69 1.88 0.07 0.00 0.00 0.00 0.00 51.96 54.60 1x4s s ALA 11 Cb -0.03 -1.74 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 1x4s s ALA 11 CO 0.09 -0.22 -0.04 0.20 0.00 0.00 0.00 175.76 175.79 1x4s s GLY 12 N 0.52 1.77 -0.43 0.00 0.00 -0.11 -4.83 107.32 104.23 1x4s s GLY 12 Ca 0.00 -1.31 -0.28 0.00 0.00 0.00 0.00 44.72 43.13 1x4s s GLY 12 CO -0.12 -1.31 1.75 2.56 0.00 0.00 0.00 173.10 175.97 1x4s s PRO 13 N -2.66 3.16 -0.66 2.90 0.04 -1.26 0.25 135.00 136.76 1x4s s PRO 13 Ca 0.25 1.08 -0.30 0.00 0.04 0.00 0.00 61.00 62.07 1x4s s PRO 13 Cb -0.10 -4.23 -0.14 0.00 0.04 0.00 0.00 34.50 30.07 1x4s s PRO 13 CO 0.17 -2.08 2.47 0.00 0.04 0.00 0.00 177.00 177.60 1x4s h GLY 15 N 14.89 0.69 -1.21 0.00 0.00 -1.88 -3.27 103.07 112.29 1x4s h GLY 15 Ca -0.17 -1.21 0.45 0.00 0.00 0.00 0.00 47.33 46.41 1x4s h GLY 15 CO 1.22 1.07 0.74 0.69 0.00 0.00 0.00 176.54 180.25 1x4s n PHE 16 N -3.97 0.89 -1.31 5.60 3.72 -1.26 -4.43 117.46 116.70 1x4s n PHE 16 Ca -0.11 0.90 -0.32 0.00 -0.05 0.00 0.00 57.45 57.86 1x4s n PHE 16 Cb 0.82 -1.32 0.10 0.00 -0.94 0.00 0.00 39.48 38.14 1x4s n PHE 16 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1x4s s PRO 18 N -4.36 2.27 0.40 0.00 0.04 -1.26 -4.77 135.00 127.32 1x4s s PRO 18 Ca 0.68 1.18 -0.23 0.00 0.04 0.00 0.00 61.00 62.66 1x4s s PRO 18 Cb -0.23 -1.90 -0.13 0.00 0.04 0.00 0.00 34.50 32.29 1x4s s PRO 18 CO 0.50 -1.63 0.64 0.00 0.04 0.00 0.00 177.00 176.55 1x4s n ALA 19 N -3.47 -1.26 0.00 8.56 0.00 -1.26 -2.06 120.51 121.02 1x4s n ALA 19 Ca 0.09 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1x4s n ALA 19 Cb 0.53 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1x4s n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x4s n GLY 20 N 1.68 1.46 0.03 0.00 0.00 -1.26 -4.54 105.19 102.56 1x4s n GLY 20 Ca 0.11 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.14 1x4s n GLY 20 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x4s n GLU 21 N 0.00 0.03 -1.53 1.61 -0.58 -0.87 -4.76 120.64 114.54 1x4s n GLU 21 Ca 0.00 0.50 -0.59 0.00 -0.42 0.00 0.00 57.16 56.65 1x4s n GLU 21 Cb 0.00 -1.63 -0.09 0.00 -0.57 0.00 0.00 31.44 29.16 1x4s n GLU 21 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1x4s n VAL 22 N -1.63 0.00 -4.42 2.62 0.31 -1.16 -4.90 118.33 109.15 1x4s n VAL 22 Ca -0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.06 1x4s n VAL 22 Cb 0.04 -0.43 -0.12 0.00 -0.91 0.00 0.00 33.84 32.43 1x4s n VAL 22 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1x4s s GLN 23 N 2.58 1.51 -0.87 5.55 -1.52 -1.26 -4.94 119.66 120.71 1x4s s GLN 23 Ca 0.92 -1.53 -0.25 0.00 -1.95 0.00 0.00 55.36 52.55 1x4s s GLN 23 Cb -1.31 -1.80 -0.04 0.00 -0.22 0.00 0.00 33.01 29.64 1x4s s GLN 23 CO 0.71 0.38 1.94 -1.25 -0.25 0.00 0.00 175.29 176.83 1x4s s PRO 24 N -2.74 2.56 -0.66 2.91 0.04 -1.26 0.35 135.00 136.21 1x4s s PRO 24 Ca 0.21 -0.20 -0.26 0.00 0.04 0.00 0.00 61.00 60.79 1x4s s PRO 24 Cb -0.08 -4.99 -0.10 0.00 0.04 0.00 0.00 34.50 29.37 1x4s s PRO 24 CO 0.10 -3.31 2.37 0.00 0.04 0.00 0.00 177.00 176.20 1x4s s ALA 25 N 9.97 1.17 0.24 8.56 0.00 0.69 -4.77 121.76 137.62 1x4s s ALA 25 Ca 0.70 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.19 1x4s s ALA 25 Cb -0.07 -4.47 0.27 0.00 0.00 0.00 0.00 23.12 18.84 1x4s s ALA 25 CO 0.01 -5.20 1.62 0.00 0.00 0.00 0.00 175.76 172.19 1x4s h ARG 26 N 15.67 0.50 0.00 0.00 3.08 -1.78 -0.26 114.38 131.59 1x4s h ARG 26 Ca -0.11 -0.25 -0.43 0.00 0.07 0.00 0.00 59.98 59.27 1x4s h ARG 26 Cb 1.12 0.00 0.06 0.00 0.08 0.00 0.00 29.97 31.23 1x4s h ARG 26 CO 1.09 0.82 0.04 0.66 -1.07 0.00 0.00 179.97 181.50 1x4s n TYR 27 N -4.03 -2.73 -3.60 3.04 4.01 -1.26 -4.67 117.16 107.93 1x4s n TYR 27 Ca -0.02 -1.74 -0.11 0.00 -0.16 0.00 0.00 57.90 55.88 1x4s n TYR 27 Cb 0.50 -0.60 -0.06 0.00 -0.31 0.00 0.00 39.34 38.87 1x4s n TYR 27 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1x4s s THR 28 N -2.59 0.00 -0.07 -0.72 2.01 -1.26 -3.31 115.64 109.70 1x4s s THR 28 Ca 0.59 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 62.29 1x4s s THR 28 Cb -0.04 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.40 1x4s s THR 28 CO 0.38 0.00 2.02 0.00 -0.69 0.00 0.00 174.62 176.34 1x4s n PRO 30 N 7.96 0.49 -0.01 0.00 -0.04 -1.26 0.13 135.00 142.27 1x4s n PRO 30 Ca 0.23 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.67 1x4s n PRO 30 Cb 0.43 -1.20 -0.01 0.00 -0.04 0.00 0.00 33.50 32.67 1x4s n PRO 30 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1x4s n ARG 31 N -0.70 0.30 -0.68 0.54 1.74 -1.26 -4.78 116.66 111.81 1x4s n ARG 31 Ca 0.05 0.01 0.06 0.00 -0.77 0.00 0.00 57.85 57.20 1x4s n ARG 31 Cb 0.02 -1.06 0.13 0.00 -1.02 0.00 0.00 32.46 30.53 1x4s n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x4s n ASN 33 N -0.69 -0.88 -4.42 0.00 4.13 0.36 -4.82 115.26 108.93 1x4s n ASN 33 Ca 0.13 -0.73 -0.41 0.00 1.68 0.00 0.00 54.58 55.26 1x4s n ASN 33 Cb 0.79 -0.89 -0.11 0.00 -1.54 0.00 0.00 39.78 38.03 1x4s n ASN 33 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1x4s s ALA 34 N -3.98 3.34 -0.04 5.41 0.00 -1.21 -4.70 121.76 120.58 1x4s s ALA 34 Ca 0.14 -1.61 -0.30 0.00 0.00 0.00 0.00 51.96 50.19 1x4s s ALA 34 Cb -0.08 -2.61 -0.05 0.00 0.00 0.00 0.00 23.12 20.38 1x4s s ALA 34 CO 0.55 -1.25 1.47 -1.25 0.00 0.00 0.00 175.76 175.29 1x4s s PRO 35 N 1.61 4.24 -0.06 0.00 0.04 -1.26 -0.38 135.00 139.18 1x4s s PRO 35 Ca 0.04 2.01 0.01 0.00 0.04 0.00 0.00 61.00 63.10 1x4s s PRO 35 Cb -0.18 -3.73 0.02 0.00 0.04 0.00 0.00 34.50 30.65 1x4s s PRO 35 CO 0.08 -0.69 -0.07 1.52 0.04 0.00 0.00 177.00 177.88 1x4s s TYR 36 N 3.07 1.07 0.26 0.56 -0.85 -1.21 -4.43 117.35 115.82 1x4s s TYR 36 Ca 0.66 -0.38 -0.02 0.00 -0.52 0.00 0.00 57.07 56.81 1x4s s TYR 36 Cb -0.31 -0.88 0.46 0.00 0.38 0.00 0.00 41.96 41.61 1x4s s TYR 36 CO 0.26 -0.27 1.82 0.00 -1.52 0.00 0.00 175.55 175.84 1x4s s SER 38 N -5.63 -0.03 0.25 0.00 0.01 -1.26 -4.67 113.70 102.36 1x4s s SER 38 Ca -0.12 -1.04 -0.04 0.00 1.31 0.00 0.00 55.95 56.06 1x4s s SER 38 Cb 0.21 0.53 0.49 0.00 0.21 0.00 0.00 66.02 67.46 1x4s s SER 38 CO 0.79 -1.06 1.70 0.25 0.41 0.00 0.00 173.24 175.33 1x4s h LEU 39 N 2.35 0.10 -0.86 2.44 5.85 -1.99 -1.45 115.31 121.75 1x4s h LEU 39 Ca -0.29 0.14 0.15 0.00 0.84 0.00 0.00 57.88 58.73 1x4s h LEU 39 Cb 1.25 0.17 -0.15 0.00 0.37 0.00 0.00 40.66 42.29 1x4s h LEU 39 CO 0.40 -0.00 -0.27 -2.11 -0.34 0.00 0.00 178.44 176.11 1x4s n ARG 40 N -5.11 -0.14 0.02 1.25 1.85 -1.26 0.12 116.66 113.40 1x4s n ARG 40 Ca 0.15 1.34 -0.12 0.00 -1.00 0.00 0.00 57.85 58.22 1x4s n ARG 40 Cb 0.47 -2.00 0.00 0.00 -1.05 0.00 0.00 32.46 29.89 1x4s n ARG 40 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1x4s h TYR 42 N 0.37 0.09 0.07 0.00 3.20 0.14 0.57 116.97 121.40 1x4s h TYR 42 Ca -0.03 0.00 -0.34 0.00 3.14 0.00 0.00 58.73 61.51 1x4s h TYR 42 Cb 1.31 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.52 1x4s h TYR 42 CO 0.06 0.02 -1.90 0.54 -1.64 0.00 0.00 178.16 175.23 1x4s n ARG 43 N -4.29 0.70 0.17 1.82 1.74 -0.61 -4.17 116.66 112.02 1x4s n ARG 43 Ca 0.20 0.27 -0.11 0.00 -0.77 0.00 0.00 57.85 57.44 1x4s n ARG 43 Cb 0.99 -1.74 -0.07 0.00 -1.02 0.00 0.00 32.46 30.62 1x4s n ARG 43 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1x4s h THR 44 N 0.04 0.42 -0.90 0.55 2.02 -0.63 -3.27 112.91 111.14 1x4s h THR 44 Ca -0.37 -0.70 0.19 0.00 0.77 0.00 0.00 66.41 66.30 1x4s h THR 44 Cb 2.03 0.66 -0.17 0.00 -1.74 0.00 0.00 68.15 68.93 1x4s h THR 44 CO 0.08 0.09 -0.20 0.00 0.37 0.00 0.00 175.52 175.87 1x4s n HIS 45 N -5.12 0.36 -3.76 3.16 1.44 0.18 -4.74 115.22 106.73 1x4s n HIS 45 Ca -0.09 1.10 -0.04 0.00 -2.01 0.00 0.00 57.72 56.68 1x4s n HIS 45 Cb 0.27 -1.04 -0.01 0.00 0.12 0.00 0.00 29.99 29.32 1x4s n HIS 45 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 1x4s s GLY 46 N -4.24 -0.22 -0.64 -1.39 0.00 -1.23 -5.04 107.32 94.56 1x4s s GLY 46 Ca -0.13 0.08 -0.01 0.00 0.00 0.00 0.00 44.72 44.66 1x4s s GLY 46 CO 0.70 -0.00 1.92 -1.30 0.00 0.00 0.00 173.10 174.42 1x4s n THR 47 N -0.46 3.47 -0.08 0.90 -2.24 -1.26 -4.39 114.28 110.22 1x4s n THR 47 Ca -0.06 -3.28 -0.14 0.00 -2.27 0.00 0.00 64.05 58.30 1x4s n THR 47 Cb 0.60 -1.17 -0.05 0.00 -2.10 0.00 0.00 70.33 67.62 1x4s n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x4s h ALA 49 N 0.66 0.93 -0.98 0.00 0.00 -1.88 -1.90 119.26 116.09 1x4s h ALA 49 Ca 0.02 0.13 0.16 0.00 0.00 0.00 0.00 54.91 55.23 1x4s h ALA 49 Cb 0.99 0.15 -0.17 0.00 0.00 0.00 0.00 17.79 18.75 1x4s h ALA 49 CO 0.09 -0.27 -0.35 0.93 0.00 0.00 0.00 179.25 179.66 1x4s h GLU 50 N 0.35 -0.00 -1.25 0.00 3.07 -1.92 1.02 114.58 115.85 1x4s h GLU 50 Ca 0.38 0.00 -0.44 0.00 -0.50 0.00 0.00 59.36 58.81 1x4s h GLU 50 Cb 0.59 0.00 -0.20 0.00 -0.84 0.00 0.00 28.75 28.30 1x4s h GLU 50 CO -0.43 -0.00 0.57 -1.71 -1.40 0.00 0.00 179.01 176.04 1x4s n ASN 51 N -5.51 6.20 -4.48 1.42 4.05 -0.72 -4.91 115.26 111.30 1x4s n ASN 51 Ca 0.12 -3.29 -0.25 0.00 0.45 0.00 0.00 54.58 51.60 1x4s n ASN 51 Cb 0.43 -0.96 -0.10 0.00 1.23 0.00 0.00 39.78 40.37 1x4s n ASN 51 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 1x4s s PHE 52 N -2.53 2.08 -1.79 1.20 5.36 0.35 -4.78 117.98 117.88 1x4s s PHE 52 Ca 0.43 -0.92 -0.20 0.00 -0.96 0.00 0.00 56.93 55.28 1x4s s PHE 52 Cb 0.34 -1.43 0.19 0.00 -0.34 0.00 0.00 43.02 41.78 1x4s s PHE 52 CO 0.01 0.11 0.65 2.48 -1.46 0.00 0.00 175.22 177.01 1x4s n TYR 53 N -0.85 -1.42 -1.67 10.12 4.11 -1.26 -4.90 117.16 121.29 1x4s n TYR 53 Ca -0.05 0.73 -0.30 0.00 -0.00 0.00 0.00 57.90 58.28 1x4s n TYR 53 Cb 0.67 -2.40 0.06 0.00 -0.00 0.00 0.00 39.34 37.67 1x4s n TYR 53 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1x4s s SER 54 N -3.34 5.15 0.00 9.48 0.15 -1.26 -4.97 113.70 118.91 1x4s s SER 54 Ca 0.74 1.36 0.00 0.00 0.70 0.00 0.00 55.95 58.76 1x4s s SER 54 Cb -0.42 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1x4s s SER 54 CO 0.98 -1.55 0.00 0.61 1.20 0.00 0.00 173.24 174.48 1x4s n GLY 55 N -2.36 -0.53 0.00 9.45 0.00 -1.26 -4.92 105.19 105.57 1x4s n GLY 55 Ca 0.07 -1.14 0.06 0.00 0.00 0.00 0.00 46.02 45.01 1x4s n GLY 55 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4s n PRO 56 N 0.00 0.49 -1.76 1.61 -0.04 -1.26 -4.83 135.00 129.21 1x4s n PRO 56 Ca 0.00 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.06 1x4s n PRO 56 Cb 0.00 -1.39 0.02 0.00 -0.04 0.00 0.00 33.50 32.10 1x4s n PRO 56 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x4s n SER 57 N -0.89 3.18 -4.50 3.54 2.88 -1.26 -4.95 113.62 111.62 1x4s n SER 57 Ca 0.09 1.09 -0.31 0.00 -1.33 0.00 0.00 58.87 58.41 1x4s n SER 57 Cb 0.04 -1.60 0.17 0.00 -0.75 0.00 0.00 64.21 62.08 1x4s n SER 57 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x4s n SER 58 N -0.36 -1.14 0.00 -3.46 2.88 -1.26 -5.16 113.62 105.12 1x4s n SER 58 Ca 0.06 0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 1x4s n SER 58 Cb 0.42 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 1x4s n SER 58 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42