#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 5.36 -0.28 1.61 1.04 -1.26 -5.10 113.70 115.07 1x4s s SER 2 Ca 0.00 0.76 -0.20 0.00 0.48 0.00 0.00 55.95 57.00 1x4s s SER 2 Cb 0.00 -1.62 0.12 0.00 0.10 0.00 0.00 66.02 64.62 1x4s s SER 2 CO 0.00 -1.27 0.92 -0.55 0.98 0.00 0.00 173.24 173.33 1x4s s SER 3 N -4.37 -0.58 0.00 7.02 0.15 -1.26 -5.04 113.70 109.62 1x4s s SER 3 Ca 0.56 1.00 0.00 0.00 0.70 0.00 0.00 55.95 58.22 1x4s s SER 3 Cb -0.11 1.15 0.00 0.00 -1.71 0.00 0.00 66.02 65.36 1x4s s SER 3 CO 0.47 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.35 1x4s n GLY 4 N 3.26 0.55 2.28 9.45 0.00 -1.26 -5.04 105.19 114.42 1x4s n GLY 4 Ca -0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 1x4s n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x4s n SER 5 N 0.00 6.98 -4.02 1.61 3.41 -1.26 -4.76 113.62 115.58 1x4s n SER 5 Ca 0.00 -3.41 -0.33 0.00 -0.26 0.00 0.00 58.87 54.87 1x4s n SER 5 Cb 0.00 -1.07 -0.12 0.00 -0.26 0.00 0.00 64.21 62.76 1x4s n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x4s s SER 6 N -0.54 4.77 0.00 4.04 0.01 -1.26 -4.87 113.70 115.84 1x4s s SER 6 Ca 0.50 -2.96 0.00 0.00 1.31 0.00 0.00 55.95 54.80 1x4s s SER 6 Cb 0.38 -1.75 0.00 0.00 0.21 0.00 0.00 66.02 64.86 1x4s s SER 6 CO -0.10 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 173.86 1x4s n GLY 7 N 3.26 1.72 3.42 3.44 0.00 -1.26 -5.06 105.19 110.71 1x4s n GLY 7 Ca 0.07 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 1x4s n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1x4s s MET 8 N 0.00 1.10 0.07 1.61 -2.45 -1.26 -5.13 119.30 113.24 1x4s s MET 8 Ca 0.00 -0.22 -0.23 0.00 -1.25 0.00 0.00 55.69 53.99 1x4s s MET 8 Cb 0.00 0.51 -0.12 0.00 1.25 0.00 0.00 34.83 36.46 1x4s s MET 8 CO 0.00 -0.41 0.54 -1.91 1.05 0.00 0.00 175.02 174.28 1x4s n GLU 9 N 0.28 0.00 -1.90 4.11 2.13 -1.26 -4.86 120.64 119.14 1x4s n GLU 9 Ca -0.18 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.30 1x4s n GLU 9 Cb 0.61 -0.84 0.03 0.00 0.27 0.00 0.00 31.44 31.51 1x4s n GLU 9 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1x4s s PRO 10 N -0.34 2.96 0.94 5.31 0.04 -1.26 -5.01 135.00 137.64 1x4s s PRO 10 Ca 0.52 1.45 -0.11 0.00 0.04 0.00 0.00 61.00 62.91 1x4s s PRO 10 Cb -0.74 -1.97 0.16 0.00 0.04 0.00 0.00 34.50 31.99 1x4s s PRO 10 CO 0.38 -1.13 1.11 0.00 0.04 0.00 0.00 177.00 177.40 1x4s s ALA 11 N -2.18 1.23 0.10 8.56 0.00 -1.26 -5.06 121.76 123.16 1x4s s ALA 11 Ca 0.69 0.35 -0.00 0.00 0.00 0.00 0.00 51.96 53.00 1x4s s ALA 11 Cb -0.21 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 1x4s s ALA 11 CO 0.37 -2.78 -0.00 0.20 0.00 0.00 0.00 175.76 173.55 1x4s s GLY 12 N -2.82 0.81 -0.04 0.00 0.00 -0.43 -4.94 107.32 99.89 1x4s s GLY 12 Ca 0.66 -1.38 -0.30 0.00 0.00 0.00 0.00 44.72 43.70 1x4s s GLY 12 CO 0.59 -1.39 1.48 2.56 0.00 0.00 0.00 173.10 176.34 1x4s s PRO 13 N -3.94 4.23 -1.22 2.90 0.04 -1.26 0.25 135.00 136.00 1x4s s PRO 13 Ca 0.16 2.02 -0.21 0.00 0.04 0.00 0.00 61.00 63.01 1x4s s PRO 13 Cb 0.07 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.86 1x4s s PRO 13 CO -0.03 -0.70 1.81 0.00 0.04 0.00 0.00 177.00 178.11 1x4s h GLY 15 N 14.90 1.31 0.36 0.00 0.00 -1.88 -0.68 103.07 117.08 1x4s h GLY 15 Ca 0.32 -0.34 0.06 0.00 0.00 0.00 0.00 47.33 47.37 1x4s h GLY 15 CO 1.35 0.13 0.76 0.74 0.00 0.00 0.00 176.54 179.53 1x4s h PHE 16 N 0.80 0.00 -3.51 5.60 0.04 -1.87 -3.40 116.94 114.60 1x4s h PHE 16 Ca 0.45 0.00 -0.50 0.00 2.80 0.00 0.00 57.97 60.72 1x4s h PHE 16 Cb 0.59 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.75 1x4s h PHE 16 CO -0.00 0.00 0.06 0.00 -0.60 0.00 0.00 178.31 177.76 1x4s s PRO 18 N -4.23 4.39 -0.04 0.00 0.04 -1.26 -4.60 135.00 129.30 1x4s s PRO 18 Ca 0.48 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 63.27 1x4s s PRO 18 Cb -0.10 -3.20 -0.14 0.00 0.04 0.00 0.00 34.50 31.10 1x4s s PRO 18 CO 0.37 -0.25 0.81 0.00 0.04 0.00 0.00 177.00 177.98 1x4s n ALA 19 N 2.62 -2.59 0.00 8.56 0.00 -1.26 -0.69 120.51 127.14 1x4s n ALA 19 Ca 0.06 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1x4s n ALA 19 Cb 0.43 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 1.26 2.96 0.10 0.00 0.00 -1.26 -4.72 105.19 103.53 1x4s n GLY 20 Ca 0.15 -0.78 0.12 0.00 0.00 0.00 0.00 46.02 45.52 1x4s n GLY 20 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1x4s h GLU 21 N 0.00 0.00 -5.12 1.61 4.39 -1.26 -3.45 114.58 110.75 1x4s h GLU 21 Ca 0.00 0.00 -0.39 0.00 0.34 0.00 0.00 59.36 59.31 1x4s h GLU 21 Cb 0.00 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.57 1x4s h GLU 21 CO 0.00 0.00 1.64 1.55 -1.16 0.00 0.00 179.01 181.04 1x4s n VAL 22 N -2.29 -0.01 -1.91 3.13 3.14 -1.14 -4.87 118.33 114.38 1x4s n VAL 22 Ca 0.04 -0.34 -0.32 0.00 -2.96 0.00 0.00 64.34 60.77 1x4s n VAL 22 Cb 0.45 -0.79 0.01 0.00 -1.06 0.00 0.00 33.84 32.45 1x4s n VAL 22 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 1x4s s GLN 23 N 8.20 3.42 -1.11 1.45 -1.52 -1.26 -4.61 119.66 124.23 1x4s s GLN 23 Ca 1.25 0.93 -0.23 0.00 -1.95 0.00 0.00 55.36 55.36 1x4s s GLN 23 Cb -0.85 -2.06 -0.08 0.00 -0.22 0.00 0.00 33.01 29.81 1x4s s GLN 23 CO 0.44 -0.71 1.94 -1.25 -0.25 0.00 0.00 175.29 175.46 1x4s s PRO 24 N -4.72 2.51 -0.55 2.91 0.04 -1.26 -1.13 135.00 132.80 1x4s s PRO 24 Ca 0.58 -0.93 -0.29 0.00 0.04 0.00 0.00 61.00 60.41 1x4s s PRO 24 Cb -0.13 -5.19 -0.15 0.00 0.04 0.00 0.00 34.50 29.07 1x4s s PRO 24 CO 0.47 -3.82 1.82 0.00 0.04 0.00 0.00 177.00 175.51 1x4s n ALA 25 N 14.28 0.19 0.07 8.56 0.00 0.69 -4.61 120.51 139.68 1x4s n ALA 25 Ca 0.44 -0.02 -0.07 0.00 0.00 0.00 0.00 53.44 53.79 1x4s n ALA 25 Cb 0.47 -1.65 -0.10 0.00 0.00 0.00 0.00 19.45 18.17 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 7.87 0.00 0.00 0.00 -0.00 -1.79 -1.14 114.38 119.32 1x4s h ARG 26 Ca -0.06 0.00 -0.24 0.00 -0.50 0.00 0.00 59.98 59.19 1x4s h ARG 26 Cb 1.04 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.98 1x4s h ARG 26 CO 0.93 0.97 -0.13 0.66 0.00 0.00 0.00 179.97 182.40 1x4s n TYR 27 N -3.38 -0.69 -3.61 3.04 4.01 -1.24 -4.79 117.16 110.49 1x4s n TYR 27 Ca -0.00 -0.93 -0.14 0.00 -0.16 0.00 0.00 57.90 56.67 1x4s n TYR 27 Cb 0.92 -0.16 -0.07 0.00 -0.31 0.00 0.00 39.34 39.72 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 -1.25 0.00 -0.11 -0.72 2.01 -1.26 -2.93 115.64 111.38 1x4s s THR 28 Ca 0.09 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.80 1x4s s THR 28 Cb -0.01 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.44 1x4s s THR 28 CO 0.06 0.00 2.01 0.00 -0.69 0.00 0.00 174.62 175.99 1x4s n PRO 30 N 8.05 0.49 -0.04 0.00 -0.04 -1.26 0.14 135.00 142.34 1x4s n PRO 30 Ca 0.24 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.65 1x4s n PRO 30 Cb 0.43 -1.19 -0.05 0.00 -0.04 0.00 0.00 33.50 32.65 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 -0.69 1.50 -1.00 0.54 5.12 -1.26 -4.75 116.66 116.11 1x4s n ARG 31 Ca 0.05 0.02 0.04 0.00 -1.93 0.00 0.00 57.85 56.03 1x4s n ARG 31 Cb 0.02 -1.18 0.07 0.00 -1.16 0.00 0.00 32.46 30.22 1x4s n ARG 31 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x4s n ASN 33 N -0.13 -0.85 -4.36 0.00 4.13 0.38 -4.85 115.26 109.58 1x4s n ASN 33 Ca 0.09 -0.77 -0.38 0.00 1.68 0.00 0.00 54.58 55.20 1x4s n ASN 33 Cb 0.92 -0.94 -0.12 0.00 -1.54 0.00 0.00 39.78 38.10 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 3.12 -0.11 5.41 0.00 -1.20 -4.75 121.76 120.27 1x4s s ALA 34 Ca 0.14 -1.49 -0.29 0.00 0.00 0.00 0.00 51.96 50.31 1x4s s ALA 34 Cb -0.08 -2.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.75 1x4s s ALA 34 CO 0.59 -1.00 1.54 -1.25 0.00 0.00 0.00 175.76 175.63 1x4s s PRO 35 N 1.52 4.13 -0.03 0.00 0.04 -1.26 -0.05 135.00 139.35 1x4s s PRO 35 Ca 0.02 1.95 0.06 0.00 0.04 0.00 0.00 61.00 63.08 1x4s s PRO 35 Cb -0.18 -3.93 -0.01 0.00 0.04 0.00 0.00 34.50 30.42 1x4s s PRO 35 CO 0.04 -0.88 -0.20 1.52 0.04 0.00 0.00 177.00 177.52 1x4s s TYR 36 N 4.07 1.87 0.10 0.56 -0.85 -1.15 -4.52 117.35 117.42 1x4s s TYR 36 Ca 0.68 -0.42 -0.19 0.00 -0.52 0.00 0.00 57.07 56.62 1x4s s TYR 36 Cb -0.29 -1.22 -0.07 0.00 0.38 0.00 0.00 41.96 40.76 1x4s s TYR 36 CO 0.25 -0.08 1.60 0.00 -1.52 0.00 0.00 175.55 175.80 1x4s s SER 38 N -5.76 0.01 0.40 0.00 0.15 -1.26 -4.51 113.70 102.72 1x4s s SER 38 Ca -0.14 -0.41 0.30 0.00 0.70 0.00 0.00 55.95 56.40 1x4s s SER 38 Cb 0.08 0.34 1.33 0.00 -1.71 0.00 0.00 66.02 66.05 1x4s s SER 38 CO 0.73 -0.65 1.37 0.18 1.20 0.00 0.00 173.24 176.07 1x4s n LEU 39 N 0.35 0.17 -0.22 3.45 4.77 -1.26 0.30 117.00 124.56 1x4s n LEU 39 Ca -0.17 1.18 -0.04 0.00 -0.03 0.00 0.00 56.01 56.95 1x4s n LEU 39 Cb 0.61 -0.58 0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1x4s n LEU 39 CO 0.22 -1.27 0.65 0.03 -1.33 0.00 0.00 177.39 175.69 1x4s h ARG 40 N 0.00 -0.11 0.00 3.23 3.08 -1.99 0.30 114.38 118.89 1x4s h ARG 40 Ca 0.78 0.01 -0.09 0.00 0.07 0.00 0.00 59.98 60.74 1x4s h ARG 40 Cb 2.57 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 32.64 1x4s h ARG 40 CO -0.37 -0.07 -0.44 0.00 -1.07 0.00 0.00 179.97 178.02 1x4s h TYR 42 N 0.00 0.13 0.02 0.00 3.20 -0.20 0.52 116.97 120.64 1x4s h TYR 42 Ca -0.00 0.00 -0.29 0.00 3.14 0.00 0.00 58.73 61.57 1x4s h TYR 42 Cb 1.06 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.24 1x4s h TYR 42 CO 0.00 0.11 -1.67 0.00 -1.64 0.00 0.00 178.16 174.96 1x4s h ARG 43 N 0.13 0.03 0.09 1.82 3.08 -1.20 -3.37 114.38 114.97 1x4s h ARG 43 Ca 0.03 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1x4s h ARG 43 Cb 0.05 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1x4s h ARG 43 CO -0.00 0.62 -0.04 1.15 -1.07 0.00 0.00 179.97 180.63 1x4s h THR 44 N 0.01 0.05 -0.69 2.04 2.02 -1.22 -3.34 112.91 111.78 1x4s h THR 44 Ca -0.27 -0.95 0.18 0.00 0.77 0.00 0.00 66.41 66.14 1x4s h THR 44 Cb 2.00 0.10 -0.13 0.00 -1.74 0.00 0.00 68.15 68.38 1x4s h THR 44 CO 0.09 0.02 -0.03 0.00 0.37 0.00 0.00 175.52 175.96 1x4s n HIS 45 N -4.86 0.39 -3.63 3.16 1.44 0.18 -4.66 115.22 107.23 1x4s n HIS 45 Ca -0.02 0.83 -0.05 0.00 -2.01 0.00 0.00 57.72 56.47 1x4s n HIS 45 Cb 0.06 -0.99 -0.02 0.00 0.12 0.00 0.00 29.99 29.17 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 -4.14 -0.34 -0.67 -1.39 0.00 -1.25 -5.04 107.32 94.48 1x4s s GLY 46 Ca -0.09 0.59 -0.02 0.00 0.00 0.00 0.00 44.72 45.20 1x4s s GLY 46 CO 0.54 0.17 2.05 -1.30 0.00 0.00 0.00 173.10 174.55 1x4s n THR 47 N -0.36 3.57 0.20 0.90 -2.24 -1.26 -4.43 114.28 110.65 1x4s n THR 47 Ca -0.07 -3.05 0.07 0.00 -2.27 0.00 0.00 64.05 58.73 1x4s n THR 47 Cb 0.61 -1.19 0.38 0.00 -2.10 0.00 0.00 70.33 68.03 1x4s n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x4s n ALA 49 N -2.29 4.09 -0.09 0.00 0.00 -1.26 -3.72 120.51 117.24 1x4s n ALA 49 Ca -0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 53.44 53.07 1x4s n ALA 49 Cb 0.47 -1.06 -0.09 0.00 0.00 0.00 0.00 19.45 18.77 1x4s n ALA 49 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1x4s n GLU 50 N 1.27 0.77 -0.07 0.00 -0.58 -1.19 -4.74 120.64 116.09 1x4s n GLU 50 Ca 0.05 0.08 -0.09 0.00 -0.42 0.00 0.00 57.16 56.78 1x4s n GLU 50 Cb 0.52 -1.37 -0.09 0.00 -0.57 0.00 0.00 31.44 29.92 1x4s n GLU 50 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1x4s n ASN 51 N -2.91 2.24 -0.30 1.62 5.15 -1.24 -4.63 115.26 115.18 1x4s n ASN 51 Ca -0.31 -0.04 -0.00 0.00 -0.60 0.00 0.00 54.58 53.64 1x4s n ASN 51 Cb 0.88 0.34 0.04 0.00 -0.53 0.00 0.00 39.78 40.52 1x4s n ASN 51 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 1x4s n PHE 52 N -2.69 0.06 -2.95 1.20 7.35 -1.25 -4.30 117.46 114.88 1x4s n PHE 52 Ca -0.24 0.97 -0.32 0.00 -0.76 0.00 0.00 57.45 57.10 1x4s n PHE 52 Cb 0.87 -0.82 -0.05 0.00 0.35 0.00 0.00 39.48 39.83 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 -5.78 3.39 0.00 -5.13 1.13 -1.26 -4.97 117.35 104.73 1x4s s TYR 53 Ca -0.11 1.28 -0.39 0.00 -1.41 0.00 0.00 57.07 56.44 1x4s s TYR 53 Cb 0.17 -2.60 -0.18 0.00 -1.10 0.00 0.00 41.96 38.25 1x4s s TYR 53 CO 0.57 -0.03 1.28 0.43 -2.51 0.00 0.00 175.55 175.29 1x4s n SER 54 N -0.73 1.07 -3.01 -0.18 7.64 -1.26 -4.93 113.62 112.22 1x4s n SER 54 Ca 0.04 1.13 0.01 0.00 1.01 0.00 0.00 58.87 61.06 1x4s n SER 54 Cb 0.54 -1.07 -0.00 0.00 -1.01 0.00 0.00 64.21 62.66 1x4s n SER 54 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4s s GLY 55 N 0.63 -1.39 -0.02 0.23 0.00 -1.26 -5.04 107.32 100.48 1x4s s GLY 55 Ca 0.89 0.54 -0.25 0.00 0.00 0.00 0.00 44.72 45.89 1x4s s GLY 55 CO 0.53 3.91 1.27 -0.56 0.00 0.00 0.00 173.10 178.26 1x4s h PRO 56 N 6.22 0.03 -6.20 2.90 0.13 -1.98 -3.44 132.00 129.65 1x4s h PRO 56 Ca 0.02 -0.02 -0.66 0.00 -0.87 0.00 0.00 66.00 64.48 1x4s h PRO 56 Cb 1.19 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 1x4s h PRO 56 CO 0.03 0.51 1.09 0.45 -0.23 0.00 0.00 178.00 179.85 1x4s n SER 57 N -4.83 3.02 -4.60 1.44 2.88 -1.26 -4.95 113.62 105.32 1x4s n SER 57 Ca -0.08 0.92 -0.34 0.00 -1.33 0.00 0.00 58.87 58.04 1x4s n SER 57 Cb 0.26 -1.30 -0.11 0.00 -0.75 0.00 0.00 64.21 62.31 1x4s n SER 57 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x4s s SER 58 N 4.41 5.12 0.00 -3.46 1.04 -1.26 -5.19 113.70 114.36 1x4s s SER 58 Ca 0.96 0.03 0.00 0.00 0.48 0.00 0.00 55.95 57.42 1x4s s SER 58 Cb -0.81 -1.67 0.00 0.00 0.10 0.00 0.00 66.02 63.65 1x4s s SER 58 CO 0.55 0.26 0.00 0.61 0.98 0.00 0.00 173.24 175.64