#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4s n SER 2 N 0.00 -0.68 -3.60 1.61 3.41 -1.26 -4.87 113.62 108.23 1x4s n SER 2 Ca 0.00 -1.00 -0.10 0.00 -0.26 0.00 0.00 58.87 57.51 1x4s n SER 2 Cb 0.00 -1.27 -0.10 0.00 -0.26 0.00 0.00 64.21 62.58 1x4s n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x4s s SER 3 N -3.25 0.02 0.00 4.04 0.15 -1.26 -5.08 113.70 108.32 1x4s s SER 3 Ca 0.44 0.72 0.00 0.00 0.70 0.00 0.00 55.95 57.81 1x4s s SER 3 Cb -0.25 1.13 0.00 0.00 -1.71 0.00 0.00 66.02 65.19 1x4s s SER 3 CO 0.81 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.61 1x4s n GLY 4 N 5.38 0.13 0.37 9.45 0.00 -1.26 -4.93 105.19 114.32 1x4s n GLY 4 Ca -0.07 -0.75 -0.18 0.00 0.00 0.00 0.00 46.02 45.03 1x4s n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x4s h SER 5 N 0.00 -0.76 -5.86 1.61 0.02 -2.04 -3.47 113.55 103.05 1x4s h SER 5 Ca 0.00 0.03 -0.39 0.00 -0.84 0.00 0.00 61.79 60.59 1x4s h SER 5 Cb 0.00 0.20 0.12 0.00 0.14 0.00 0.00 62.40 62.86 1x4s h SER 5 CO 0.00 -0.54 -0.72 -0.24 -1.14 0.00 0.00 176.83 174.19 1x4s n SER 6 N -5.47 -4.81 -3.46 3.07 2.88 -1.26 -4.83 113.62 99.73 1x4s n SER 6 Ca -0.13 -0.60 -0.36 0.00 -1.33 0.00 0.00 58.87 56.45 1x4s n SER 6 Cb 0.36 -4.87 -0.03 0.00 -0.75 0.00 0.00 64.21 58.91 1x4s n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4s n GLY 7 N -1.73 3.13 3.03 0.46 0.00 -1.26 -4.83 105.19 103.99 1x4s n GLY 7 Ca -0.08 -1.19 -0.17 0.00 0.00 0.00 0.00 46.02 44.58 1x4s n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x4s s MET 8 N 4.01 0.65 0.02 1.61 1.00 -1.26 -5.16 119.30 120.17 1x4s s MET 8 Ca 0.51 -0.45 0.03 0.00 0.00 0.00 0.00 55.69 55.78 1x4s s MET 8 Cb 0.13 -0.59 -0.02 0.00 0.00 0.00 0.00 34.83 34.35 1x4s s MET 8 CO 0.03 0.15 -0.11 -1.21 0.00 0.00 0.00 175.02 173.88 1x4s s GLU 9 N -0.61 0.77 0.72 2.03 0.41 -1.26 -5.15 118.70 115.60 1x4s s GLU 9 Ca 0.00 -0.56 -0.13 0.00 -0.41 0.00 0.00 54.97 53.88 1x4s s GLU 9 Cb -0.05 -0.72 0.03 0.00 -1.78 0.00 0.00 34.13 31.61 1x4s s GLU 9 CO 0.00 0.18 1.10 -1.25 -0.49 0.00 0.00 175.26 174.80 1x4s s PRO 10 N -0.79 2.51 1.17 0.39 0.04 -1.26 -5.03 135.00 132.03 1x4s s PRO 10 Ca 0.00 1.27 -0.17 0.00 0.04 0.00 0.00 61.00 62.15 1x4s s PRO 10 Cb -0.06 -1.92 0.27 0.00 0.04 0.00 0.00 34.50 32.83 1x4s s PRO 10 CO 0.00 -1.46 1.07 0.00 0.04 0.00 0.00 177.00 176.65 1x4s s ALA 11 N -2.64 0.35 0.07 8.56 0.00 -1.26 -5.07 121.76 121.77 1x4s s ALA 11 Ca 0.64 -0.67 0.05 0.00 0.00 0.00 0.00 51.96 51.98 1x4s s ALA 11 Cb -0.19 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 1x4s s ALA 11 CO 0.49 -3.57 -0.15 0.20 0.00 0.00 0.00 175.76 172.73 1x4s s GLY 12 N -3.49 0.90 -0.23 0.00 0.00 -1.15 -4.97 107.32 98.38 1x4s s GLY 12 Ca 0.69 -1.02 -0.29 0.00 0.00 0.00 0.00 44.72 44.10 1x4s s GLY 12 CO 0.58 -1.04 1.61 2.56 0.00 0.00 0.00 173.10 176.81 1x4s s PRO 13 N -1.72 3.78 -0.32 2.90 0.04 -1.26 0.16 135.00 138.59 1x4s s PRO 13 Ca -0.01 1.64 -0.28 0.00 0.04 0.00 0.00 61.00 62.39 1x4s s PRO 13 Cb -0.10 -4.04 -0.06 0.00 0.04 0.00 0.00 34.50 30.34 1x4s s PRO 13 CO 0.02 -1.31 2.29 0.00 0.04 0.00 0.00 177.00 178.04 1x4s h GLY 15 N 16.25 0.58 -1.61 0.00 0.00 -1.87 -3.31 103.07 113.10 1x4s h GLY 15 Ca -0.35 -1.48 0.52 0.00 0.00 0.00 0.00 47.33 46.02 1x4s h GLY 15 CO 1.03 1.30 1.09 0.69 0.00 0.00 0.00 176.54 180.65 1x4s n PHE 16 N -3.74 0.44 -0.95 5.60 3.72 -1.26 -4.47 117.46 116.79 1x4s n PHE 16 Ca -0.18 0.44 -0.33 0.00 -0.05 0.00 0.00 57.45 57.34 1x4s n PHE 16 Cb 1.08 -0.90 0.14 0.00 -0.94 0.00 0.00 39.48 38.86 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 -4.25 4.34 -0.37 0.00 0.04 -1.26 -4.87 135.00 128.63 1x4s s PRO 18 Ca 0.71 2.04 -0.35 0.00 0.04 0.00 0.00 61.00 63.44 1x4s s PRO 18 Cb -0.27 -3.25 -0.15 0.00 0.04 0.00 0.00 34.50 30.87 1x4s s PRO 18 CO 0.54 -0.39 1.22 0.00 0.04 0.00 0.00 177.00 178.40 1x4s n ALA 19 N 3.78 -0.91 0.00 8.56 0.00 -1.26 -0.47 120.51 130.21 1x4s n ALA 19 Ca 0.11 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1x4s n ALA 19 Cb 0.43 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 3.17 3.19 2.35 0.00 0.00 -1.26 -4.91 105.19 107.73 1x4s n GLY 20 Ca 0.24 -0.99 -0.26 0.00 0.00 0.00 0.00 46.02 45.02 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 2.29 -2.12 1.61 -0.58 0.38 -4.96 120.64 117.26 1x4s n GLU 21 Ca 0.00 -2.31 -0.42 0.00 -0.42 0.00 0.00 57.16 54.00 1x4s n GLU 21 Cb 0.00 -2.02 -0.03 0.00 -0.57 0.00 0.00 31.44 28.83 1x4s n GLU 21 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1x4s s VAL 22 N -2.74 3.75 0.20 2.62 1.01 -1.26 -4.62 120.40 119.36 1x4s s VAL 22 Ca 0.51 0.92 0.09 0.00 0.00 0.00 0.00 61.98 63.50 1x4s s VAL 22 Cb 0.36 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 1x4s s VAL 22 CO -0.16 -0.08 -0.08 -1.10 0.00 0.00 0.00 175.10 173.68 1x4s s GLN 23 N 3.80 2.09 -0.47 2.72 -0.21 -1.26 -4.95 119.66 121.39 1x4s s GLN 23 Ca 0.68 -1.33 -0.28 0.00 0.02 0.00 0.00 55.36 54.46 1x4s s GLN 23 Cb -0.31 -2.14 -0.02 0.00 1.00 0.00 0.00 33.01 31.55 1x4s s GLN 23 CO 0.26 0.41 1.77 -1.25 -2.12 0.00 0.00 175.29 174.37 1x4s s PRO 24 N -3.05 3.05 -1.11 2.91 0.04 -1.26 0.15 135.00 135.72 1x4s s PRO 24 Ca 0.27 0.99 -0.20 0.00 0.04 0.00 0.00 61.00 62.10 1x4s s PRO 24 Cb -0.08 -4.26 -0.06 0.00 0.04 0.00 0.00 34.50 30.14 1x4s s PRO 24 CO 0.16 -2.21 1.96 0.00 0.04 0.00 0.00 177.00 176.95 1x4s n ALA 25 N 11.20 3.49 0.28 8.56 0.00 0.43 -4.51 120.51 139.96 1x4s n ALA 25 Ca 0.21 -3.46 0.15 0.00 0.00 0.00 0.00 53.44 50.34 1x4s n ALA 25 Cb 0.49 -3.57 0.79 0.00 0.00 0.00 0.00 19.45 17.16 1x4s n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x4s h ARG 26 N 7.85 0.00 -6.15 0.00 3.08 -1.77 -3.04 114.38 114.36 1x4s h ARG 26 Ca 0.41 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.94 1x4s h ARG 26 Cb 0.76 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.76 1x4s h ARG 26 CO 1.68 0.08 -0.49 0.71 -1.07 0.00 0.00 179.97 180.89 1x4s s TYR 27 N -4.10 2.81 -0.07 3.04 2.02 -1.21 -4.93 117.35 114.92 1x4s s TYR 27 Ca -0.02 -0.34 -0.13 0.00 -0.37 0.00 0.00 57.07 56.21 1x4s s TYR 27 Cb 0.12 -1.73 0.03 0.00 -0.40 0.00 0.00 41.96 39.98 1x4s s TYR 27 CO 0.55 0.25 0.31 0.99 -1.57 0.00 0.00 175.55 176.09 1x4s s THR 28 N -2.36 0.03 -0.12 -0.71 2.01 -1.26 -1.40 115.64 111.83 1x4s s THR 28 Ca 0.39 -0.24 -0.29 0.00 0.31 0.00 0.00 61.69 61.86 1x4s s THR 28 Cb -0.04 -0.53 -0.06 0.00 0.01 0.00 0.00 72.50 71.88 1x4s s THR 28 CO 0.25 -0.13 1.90 0.00 -0.69 0.00 0.00 174.62 175.95 1x4s n PRO 30 N 7.87 0.49 -0.03 0.00 -0.04 -1.26 0.17 135.00 142.20 1x4s n PRO 30 Ca 0.22 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.64 1x4s n PRO 30 Cb 0.44 -1.26 -0.03 0.00 -0.04 0.00 0.00 33.50 32.61 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 -0.76 0.85 -0.72 0.54 1.74 -1.26 -4.76 116.66 112.30 1x4s n ARG 31 Ca 0.06 0.03 0.05 0.00 -0.77 0.00 0.00 57.85 57.22 1x4s n ARG 31 Cb 0.03 -1.13 0.10 0.00 -1.02 0.00 0.00 32.46 30.44 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 -0.52 -1.04 -4.40 0.00 4.13 0.44 -4.83 115.26 109.04 1x4s n ASN 33 Ca 0.11 -0.88 -0.40 0.00 1.68 0.00 0.00 54.58 55.09 1x4s n ASN 33 Cb 0.81 -1.08 -0.11 0.00 -1.54 0.00 0.00 39.78 37.86 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 -3.97 3.29 -0.26 5.41 0.00 -1.20 -4.70 121.76 120.34 1x4s s ALA 34 Ca 0.17 -1.61 -0.29 0.00 0.00 0.00 0.00 51.96 50.22 1x4s s ALA 34 Cb -0.09 -2.55 -0.02 0.00 0.00 0.00 0.00 23.12 20.46 1x4s s ALA 34 CO 0.67 -1.24 1.64 -1.25 0.00 0.00 0.00 175.76 175.58 1x4s s PRO 35 N 1.58 3.69 0.08 0.00 0.04 -1.26 0.11 135.00 139.24 1x4s s PRO 35 Ca 0.03 1.56 0.09 0.00 0.04 0.00 0.00 61.00 62.73 1x4s s PRO 35 Cb -0.18 -4.07 -0.03 0.00 0.04 0.00 0.00 34.50 30.26 1x4s s PRO 35 CO 0.07 -1.42 -0.24 1.52 0.04 0.00 0.00 177.00 176.97 1x4s s TYR 36 N 5.54 2.10 0.01 0.56 -0.85 -0.50 -4.42 117.35 119.79 1x4s s TYR 36 Ca 0.72 -0.40 -0.24 0.00 -0.52 0.00 0.00 57.07 56.64 1x4s s TYR 36 Cb -0.24 -1.20 -0.17 0.00 0.38 0.00 0.00 41.96 40.73 1x4s s TYR 36 CO 0.30 0.19 1.36 0.00 -1.52 0.00 0.00 175.55 175.88 1x4s n SER 38 N -4.79 -0.67 -0.29 0.00 2.88 -1.26 -4.58 113.62 104.91 1x4s n SER 38 Ca -0.07 -2.35 -0.00 0.00 -1.33 0.00 0.00 58.87 55.12 1x4s n SER 38 Cb 0.25 1.36 0.19 0.00 -0.75 0.00 0.00 64.21 65.27 1x4s n SER 38 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1x4s h LEU 39 N 0.00 0.99 -0.86 2.46 4.07 -1.98 -1.80 115.31 118.18 1x4s h LEU 39 Ca -0.17 -0.02 0.21 0.00 0.08 0.00 0.00 57.88 57.99 1x4s h LEU 39 Cb 0.78 -0.24 -0.13 0.00 1.08 0.00 0.00 40.66 42.15 1x4s h LEU 39 CO 0.23 0.71 0.30 0.08 -1.08 0.00 0.00 178.44 178.68 1x4s h ARG 40 N 1.16 0.30 0.24 1.13 0.11 -2.00 -0.31 114.38 115.02 1x4s h ARG 40 Ca 0.32 -0.02 -0.33 0.00 0.10 0.00 0.00 59.98 60.05 1x4s h ARG 40 Cb -0.11 -0.07 0.04 0.00 1.11 0.00 0.00 29.97 30.94 1x4s h ARG 40 CO -0.07 0.20 -1.47 0.00 0.10 0.00 0.00 179.97 178.73 1x4s h TYR 42 N 0.14 0.00 0.04 0.00 3.20 -0.26 0.49 116.97 120.58 1x4s h TYR 42 Ca -0.25 0.00 -0.37 0.00 3.14 0.00 0.00 58.73 61.26 1x4s h TYR 42 Cb 2.16 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 40.38 1x4s h TYR 42 CO 0.12 0.00 -2.22 0.54 -1.64 0.00 0.00 178.16 174.97 1x4s n ARG 43 N -3.63 0.69 0.13 1.82 1.74 -0.63 -4.37 116.66 112.40 1x4s n ARG 43 Ca 0.08 0.17 -0.11 0.00 -0.77 0.00 0.00 57.85 57.22 1x4s n ARG 43 Cb 0.68 -1.61 -0.07 0.00 -1.02 0.00 0.00 32.46 30.44 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 0.02 0.59 -0.77 0.55 2.02 -0.72 -3.28 112.91 111.33 1x4s h THR 44 Ca -0.49 -0.82 0.14 0.00 0.77 0.00 0.00 66.41 66.01 1x4s h THR 44 Cb 2.02 0.95 -0.14 0.00 -1.74 0.00 0.00 68.15 69.24 1x4s h THR 44 CO 0.01 0.13 -0.24 0.00 0.37 0.00 0.00 175.52 175.79 1x4s n HIS 45 N -5.05 0.16 -3.88 3.16 1.44 0.15 -4.76 115.22 106.43 1x4s n HIS 45 Ca -0.08 0.94 -0.04 0.00 -2.01 0.00 0.00 57.72 56.53 1x4s n HIS 45 Cb 0.26 -0.87 0.02 0.00 0.12 0.00 0.00 29.99 29.52 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 -3.90 0.16 -0.98 -1.39 0.00 -1.24 -5.09 107.32 94.89 1x4s s GLY 46 Ca -0.11 -0.41 -0.06 0.00 0.00 0.00 0.00 44.72 44.14 1x4s s GLY 46 CO 0.58 2.26 0.92 -0.51 0.00 0.00 0.00 173.10 176.34 1x4s s THR 47 N -2.14 5.21 -0.18 0.90 -4.23 -1.26 -4.48 115.64 109.46 1x4s s THR 47 Ca 0.22 -3.49 0.13 0.00 -1.18 0.00 0.00 61.69 57.37 1x4s s THR 47 Cb -0.03 -4.18 0.42 0.00 1.34 0.00 0.00 72.50 70.05 1x4s s THR 47 CO 0.06 -1.12 1.21 0.00 -0.54 0.00 0.00 174.62 174.24 1x4s n ALA 49 N -0.87 1.60 -0.40 0.00 0.00 -1.26 -4.18 120.51 115.40 1x4s n ALA 49 Ca 0.17 -0.81 0.33 0.00 0.00 0.00 0.00 53.44 53.14 1x4s n ALA 49 Cb 0.76 0.06 0.64 0.00 0.00 0.00 0.00 19.45 20.91 1x4s n ALA 49 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1x4s h GLU 50 N 0.00 0.16 -1.00 0.00 4.11 -1.99 0.24 114.58 116.10 1x4s h GLU 50 Ca -0.41 -0.01 -0.56 0.00 0.07 0.00 0.00 59.36 58.45 1x4s h GLU 50 Cb 1.66 -0.04 -0.43 0.00 0.50 0.00 0.00 28.75 30.45 1x4s h GLU 50 CO -0.06 0.10 -0.80 0.27 0.07 0.00 0.00 179.01 178.60 1x4s n ASN 51 N -4.50 4.77 -0.03 3.06 0.23 -1.26 -4.63 115.26 112.89 1x4s n ASN 51 Ca 0.32 -3.70 -0.08 0.00 -0.53 0.00 0.00 54.58 50.59 1x4s n ASN 51 Cb 1.26 -0.38 -0.03 0.00 -2.08 0.00 0.00 39.78 38.55 1x4s n ASN 51 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 1x4s n PHE 52 N -0.63 0.00 -2.77 -2.53 7.35 0.83 -4.69 117.46 115.02 1x4s n PHE 52 Ca 0.41 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.68 1x4s n PHE 52 Cb 0.86 -0.29 -0.03 0.00 0.35 0.00 0.00 39.48 40.38 1x4s n PHE 52 CO 0.00 0.00 0.00 1.52 -0.76 0.00 0.00 176.76 177.52 1x4s s TYR 53 N -2.21 2.67 -1.10 -5.13 1.13 -1.24 -4.45 117.35 107.01 1x4s s TYR 53 Ca -0.12 -0.66 -0.00 0.00 -1.41 0.00 0.00 57.07 54.87 1x4s s TYR 53 Cb 0.04 -4.41 0.00 0.00 -1.10 0.00 0.00 41.96 36.49 1x4s s TYR 53 CO 0.16 -1.74 0.01 -1.13 -2.51 0.00 0.00 175.55 170.34 1x4s n SER 54 N 7.95 0.64 -4.60 -0.18 3.41 -1.26 -4.82 113.62 114.75 1x4s n SER 54 Ca 0.08 -0.90 -0.42 0.00 -0.26 0.00 0.00 58.87 57.37 1x4s n SER 54 Cb 0.48 -1.12 -0.05 0.00 -0.26 0.00 0.00 64.21 63.25 1x4s n SER 54 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x4s s GLY 55 N -3.95 1.72 0.43 5.00 0.00 -1.26 -5.05 107.32 104.20 1x4s s GLY 55 Ca 0.01 -0.53 -0.07 0.00 0.00 0.00 0.00 44.72 44.13 1x4s s GLY 55 CO 0.70 1.67 0.38 -1.55 0.00 0.00 0.00 173.10 174.30 1x4s n PRO 56 N 6.14 -1.76 -1.02 2.90 -0.04 -1.26 -4.86 135.00 135.11 1x4s n PRO 56 Ca 0.02 -0.61 -0.15 0.00 -0.04 0.00 0.00 63.50 62.73 1x4s n PRO 56 Cb 0.48 -0.57 -0.07 0.00 -0.04 0.00 0.00 33.50 33.31 1x4s n PRO 56 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x4s n SER 57 N -3.65 5.84 -4.69 3.54 7.64 -1.26 -4.88 113.62 116.15 1x4s n SER 57 Ca 0.05 -2.78 -0.35 0.00 1.01 0.00 0.00 58.87 56.80 1x4s n SER 57 Cb 0.20 -1.24 -0.09 0.00 -1.01 0.00 0.00 64.21 62.07 1x4s n SER 57 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x4s s SER 58 N 1.19 5.85 0.00 6.43 0.01 -1.26 -5.29 113.70 120.64 1x4s s SER 58 Ca 0.45 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.88 1x4s s SER 58 Cb 0.26 -1.98 0.00 0.00 0.21 0.00 0.00 66.02 64.51 1x4s s SER 58 CO -0.06 0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.42