#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 -0.42 -0.30 1.61 1.04 -1.26 -5.12 113.70 109.25 1x4s s SER 2 Ca 0.00 0.93 0.02 0.00 0.48 0.00 0.00 55.95 57.39 1x4s s SER 2 Cb 0.00 1.55 0.08 0.00 0.10 0.00 0.00 66.02 67.75 1x4s s SER 2 CO 0.00 -0.25 0.01 -0.55 0.98 0.00 0.00 173.24 173.43 1x4s s SER 3 N 2.67 4.36 0.00 7.02 0.15 -1.26 -4.77 113.70 121.87 1x4s s SER 3 Ca 0.03 -1.70 0.00 0.00 0.70 0.00 0.00 55.95 54.98 1x4s s SER 3 Cb -0.13 -1.37 0.00 0.00 -1.71 0.00 0.00 66.02 62.81 1x4s s SER 3 CO -0.15 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.58 1x4s n GLY 4 N 4.49 0.94 3.43 9.45 0.00 -1.26 -5.07 105.19 117.17 1x4s n GLY 4 Ca -0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.54 1x4s n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4s s SER 5 N -0.70 7.08 0.37 1.61 0.15 -1.26 -4.93 113.70 116.02 1x4s s SER 5 Ca 0.00 -3.04 -0.15 0.00 0.70 0.00 0.00 55.95 53.46 1x4s s SER 5 Cb 0.00 -2.35 0.05 0.00 -1.71 0.00 0.00 66.02 62.01 1x4s s SER 5 CO 0.00 -0.66 0.75 -0.44 1.20 0.00 0.00 173.24 174.10 1x4s s SER 6 N 2.50 0.07 0.00 5.45 0.01 -1.26 -5.04 113.70 115.44 1x4s s SER 6 Ca 0.38 -1.14 0.00 0.00 1.31 0.00 0.00 55.95 56.50 1x4s s SER 6 Cb -0.05 0.82 0.00 0.00 0.21 0.00 0.00 66.02 67.00 1x4s s SER 6 CO -0.03 -1.62 0.00 0.61 0.41 0.00 0.00 173.24 172.61 1x4s n GLY 7 N -0.53 2.22 2.91 3.44 0.00 -1.26 -4.93 105.19 107.04 1x4s n GLY 7 Ca -0.07 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 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 0.00 2.11 0.15 1.61 1.00 -1.26 -5.09 119.30 117.81 1x4s s MET 8 Ca 0.00 -2.86 -0.31 0.00 0.00 0.00 0.00 55.69 52.53 1x4s s MET 8 Cb 0.00 -3.28 -0.18 0.00 0.00 0.00 0.00 34.83 31.38 1x4s s MET 8 CO 0.00 -1.18 0.65 -0.85 0.00 0.00 0.00 175.02 173.64 1x4s n GLU 9 N 2.70 0.00 -2.18 2.03 0.00 -1.26 -4.82 120.64 117.10 1x4s n GLU 9 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.85 1x4s n GLU 9 Cb 0.33 -1.12 -0.03 0.00 0.00 0.00 0.00 31.44 30.63 1x4s n GLU 9 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 1x4s s PRO 10 N -0.74 4.29 1.25 3.44 0.04 -1.26 -5.01 135.00 137.01 1x4s s PRO 10 Ca 0.70 2.03 -0.19 0.00 0.04 0.00 0.00 61.00 63.58 1x4s s PRO 10 Cb -1.01 -3.49 0.29 0.00 0.04 0.00 0.00 34.50 30.33 1x4s s PRO 10 CO 0.56 -0.55 0.65 0.00 0.04 0.00 0.00 177.00 177.69 1x4s n ALA 11 N 5.02 -2.79 -2.35 8.56 0.00 -1.26 -5.05 120.51 122.64 1x4s n ALA 11 Ca 0.13 -1.49 -0.12 0.00 0.00 0.00 0.00 53.44 51.96 1x4s n ALA 11 Cb 0.43 -1.21 -0.10 0.00 0.00 0.00 0.00 19.45 18.56 1x4s n ALA 11 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1x4s s GLY 12 N -2.56 0.73 -0.23 0.00 0.00 -1.12 -4.97 107.32 99.16 1x4s s GLY 12 Ca 0.51 -1.21 -0.29 0.00 0.00 0.00 0.00 44.72 43.73 1x4s s GLY 12 CO 0.43 -1.30 1.62 2.56 0.00 0.00 0.00 173.10 176.41 1x4s s PRO 13 N -3.24 3.76 -0.84 2.90 0.04 -1.26 0.24 135.00 136.60 1x4s s PRO 13 Ca 0.07 1.63 -0.34 0.00 0.04 0.00 0.00 61.00 62.39 1x4s s PRO 13 Cb 0.01 -4.04 -0.20 0.00 0.04 0.00 0.00 34.50 30.30 1x4s s PRO 13 CO -0.03 -1.34 2.53 0.00 0.04 0.00 0.00 177.00 178.21 1x4s n GLY 15 N 6.73 3.93 0.00 0.00 0.00 -1.25 -3.77 105.19 110.83 1x4s n GLY 15 Ca 0.61 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1x4s n GLY 15 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1x4s n PHE 16 N 0.58 0.00 -0.73 1.61 3.72 -1.26 -5.09 117.46 116.28 1x4s n PHE 16 Ca 0.29 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.37 1x4s n PHE 16 Cb 0.57 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 39.26 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 -4.20 4.38 0.05 0.00 0.04 -1.26 -4.85 135.00 129.15 1x4s s PRO 18 Ca 0.63 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 63.51 1x4s s PRO 18 Cb -0.22 -3.21 -0.11 0.00 0.04 0.00 0.00 34.50 30.99 1x4s s PRO 18 CO 0.62 -0.29 0.49 0.00 0.04 0.00 0.00 177.00 177.85 1x4s n ALA 19 N 2.99 -2.23 0.00 8.56 0.00 -1.26 -0.14 120.51 128.43 1x4s n ALA 19 Ca 0.07 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1x4s n ALA 19 Cb 0.43 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 0.98 2.55 2.22 0.00 0.00 -1.26 -4.82 105.19 104.86 1x4s n GLY 20 Ca 0.11 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 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 2.38 -2.46 1.61 -0.58 0.80 -4.96 120.64 117.43 1x4s n GLU 21 Ca 0.00 -2.68 -0.43 0.00 -0.42 0.00 0.00 57.16 53.63 1x4s n GLU 21 Cb 0.00 -2.05 -0.02 0.00 -0.57 0.00 0.00 31.44 28.79 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 -3.89 4.34 0.18 2.62 1.01 -1.26 -4.57 120.40 118.83 1x4s s VAL 22 Ca 0.53 1.61 0.10 0.00 0.00 0.00 0.00 61.98 64.21 1x4s s VAL 22 Cb 0.41 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1x4s s VAL 22 CO -0.04 -0.17 -0.14 -1.10 0.00 0.00 0.00 175.10 173.65 1x4s s GLN 23 N 3.50 1.88 -0.48 2.72 -0.21 -1.26 -4.97 119.66 120.84 1x4s s GLN 23 Ca 0.53 -1.33 -0.27 0.00 0.02 0.00 0.00 55.36 54.30 1x4s s GLN 23 Cb -0.20 -2.07 -0.02 0.00 1.00 0.00 0.00 33.01 31.72 1x4s s GLN 23 CO 0.14 0.43 1.79 -1.25 -2.12 0.00 0.00 175.29 174.27 1x4s s PRO 24 N -2.72 3.00 -0.99 2.91 0.04 -1.26 0.98 135.00 136.96 1x4s s PRO 24 Ca 0.23 0.95 -0.25 0.00 0.04 0.00 0.00 61.00 61.97 1x4s s PRO 24 Cb -0.09 -4.28 -0.12 0.00 0.04 0.00 0.00 34.50 30.05 1x4s s PRO 24 CO 0.13 -2.28 2.10 0.00 0.04 0.00 0.00 177.00 177.00 1x4s s ALA 25 N 7.85 1.16 0.52 8.56 0.00 0.66 -4.72 121.76 135.79 1x4s s ALA 25 Ca 0.71 -1.48 0.20 0.00 0.00 0.00 0.00 51.96 51.39 1x4s s ALA 25 Cb -0.16 -4.63 1.39 0.00 0.00 0.00 0.00 23.12 19.72 1x4s s ALA 25 CO 0.27 -5.72 2.15 0.00 0.00 0.00 0.00 175.76 172.46 1x4s h ARG 26 N 11.33 0.00 -5.95 0.00 2.47 -1.76 -2.95 114.38 117.52 1x4s h ARG 26 Ca 0.08 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 58.22 1x4s h ARG 26 Cb 0.99 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.26 1x4s h ARG 26 CO 1.11 0.04 -0.28 0.71 0.56 0.00 0.00 179.97 182.11 1x4s s TYR 27 N -4.83 1.52 -0.14 3.04 2.02 -1.24 -4.84 117.35 112.89 1x4s s TYR 27 Ca -0.05 -0.87 -0.29 0.00 -0.37 0.00 0.00 57.07 55.50 1x4s s TYR 27 Cb 0.16 -1.91 0.07 0.00 -0.40 0.00 0.00 41.96 39.88 1x4s s TYR 27 CO 0.63 -0.55 0.71 0.99 -1.57 0.00 0.00 175.55 175.77 1x4s s THR 28 N -2.79 0.00 -0.18 -0.71 2.01 -1.26 -2.64 115.64 110.07 1x4s s THR 28 Ca 0.34 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 62.05 1x4s s THR 28 Cb -0.03 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.44 1x4s s THR 28 CO 0.21 0.00 2.02 0.00 -0.69 0.00 0.00 174.62 176.16 1x4s n PRO 30 N 8.29 0.49 -0.02 0.00 -0.04 -1.26 0.22 135.00 142.68 1x4s n PRO 30 Ca 0.25 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.67 1x4s n PRO 30 Cb 0.44 -1.11 -0.02 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.61 0.11 -0.03 0.54 1.74 -1.26 -4.77 116.66 112.37 1x4s n ARG 31 Ca 0.03 0.04 0.02 0.00 -0.77 0.00 0.00 57.85 57.16 1x4s n ARG 31 Cb 0.01 -0.89 0.04 0.00 -1.02 0.00 0.00 32.46 30.60 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 0.06 -3.02 -4.35 0.00 3.02 0.61 -4.93 115.26 106.65 1x4s n ASN 33 Ca 0.03 -0.86 -0.37 0.00 -0.03 0.00 0.00 54.58 53.35 1x4s n ASN 33 Cb 0.21 -4.03 -0.13 0.00 -0.61 0.00 0.00 39.78 35.22 1x4s n ASN 33 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x4s s ALA 34 N -3.58 3.07 -0.33 5.41 0.00 -1.20 -4.71 121.76 120.41 1x4s s ALA 34 Ca 0.19 -1.42 -0.29 0.00 0.00 0.00 0.00 51.96 50.45 1x4s s ALA 34 Cb -0.05 -2.13 -0.01 0.00 0.00 0.00 0.00 23.12 20.92 1x4s s ALA 34 CO 0.82 -0.88 1.69 -1.25 0.00 0.00 0.00 175.76 176.14 1x4s s PRO 35 N 1.51 3.44 -0.03 0.00 0.04 -1.26 0.16 135.00 138.85 1x4s s PRO 35 Ca 0.03 1.35 0.07 0.00 0.04 0.00 0.00 61.00 62.48 1x4s s PRO 35 Cb -0.17 -4.14 -0.02 0.00 0.04 0.00 0.00 34.50 30.21 1x4s s PRO 35 CO 0.02 -1.73 -0.23 1.52 0.04 0.00 0.00 177.00 176.63 1x4s s TYR 36 N 6.37 2.44 0.11 0.56 -0.85 -1.08 -3.79 117.35 121.10 1x4s s TYR 36 Ca 0.75 -0.39 -0.20 0.00 -0.52 0.00 0.00 57.07 56.70 1x4s s TYR 36 Cb -0.21 -1.55 -0.09 0.00 0.38 0.00 0.00 41.96 40.50 1x4s s TYR 36 CO 0.33 0.00 1.73 0.00 -1.52 0.00 0.00 175.55 176.09 1x4s n SER 38 N -4.94 -1.31 -0.32 0.00 7.64 -1.26 -4.54 113.62 108.89 1x4s n SER 38 Ca -0.04 -2.94 0.08 0.00 1.01 0.00 0.00 58.87 56.98 1x4s n SER 38 Cb 0.05 2.48 0.24 0.00 -1.01 0.00 0.00 64.21 65.97 1x4s n SER 38 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1x4s h LEU 39 N 0.00 0.67 -0.29 -3.43 -0.00 -1.98 -1.64 115.31 108.64 1x4s h LEU 39 Ca -0.27 0.08 0.03 0.00 -0.00 0.00 0.00 57.88 57.72 1x4s h LEU 39 Cb 1.20 -0.04 -0.04 0.00 -0.00 0.00 0.00 40.66 41.78 1x4s h LEU 39 CO 0.37 0.30 -0.26 0.03 -0.00 0.00 0.00 178.44 178.88 1x4s h ARG 40 N 0.74 -0.10 -0.63 1.13 3.08 -1.99 -0.83 114.38 115.77 1x4s h ARG 40 Ca 0.49 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.54 1x4s h ARG 40 Cb 0.65 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 1x4s h ARG 40 CO -0.34 -0.07 0.36 0.00 -1.07 0.00 0.00 179.97 178.86 1x4s h TYR 42 N 0.85 0.00 0.03 0.00 3.20 -0.28 0.57 116.97 121.36 1x4s h TYR 42 Ca 0.22 0.00 -0.33 0.00 3.14 0.00 0.00 58.73 61.76 1x4s h TYR 42 Cb 0.01 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.23 1x4s h TYR 42 CO -0.01 0.00 -1.93 0.54 -1.64 0.00 0.00 178.16 175.12 1x4s n ARG 43 N -3.89 0.68 0.11 1.82 1.74 -0.43 -4.24 116.66 112.44 1x4s n ARG 43 Ca 0.22 0.24 -0.10 0.00 -0.77 0.00 0.00 57.85 57.44 1x4s n ARG 43 Cb 1.19 -1.72 -0.06 0.00 -1.02 0.00 0.00 32.46 30.84 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 0.55 -0.85 0.55 2.02 0.50 -3.32 112.91 112.38 1x4s h THR 44 Ca -0.38 -0.91 0.13 0.00 0.77 0.00 0.00 66.41 66.02 1x4s h THR 44 Cb 2.04 0.90 -0.13 0.00 -1.74 0.00 0.00 68.15 69.22 1x4s h THR 44 CO 0.06 0.14 -0.35 0.00 0.37 0.00 0.00 175.52 175.74 1x4s n HIS 45 N -5.01 -0.02 -3.92 3.16 1.44 0.13 -4.74 115.22 106.27 1x4s n HIS 45 Ca -0.07 1.05 -0.09 0.00 -2.01 0.00 0.00 57.72 56.59 1x4s n HIS 45 Cb 0.25 -0.79 -0.02 0.00 0.12 0.00 0.00 29.99 29.55 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 -3.43 0.45 -0.69 -1.39 0.00 -1.25 -5.05 107.32 95.96 1x4s s GLY 46 Ca -0.12 -0.78 -0.01 0.00 0.00 0.00 0.00 44.72 43.82 1x4s s GLY 46 CO 0.60 -0.44 1.88 2.41 0.00 0.00 0.00 173.10 177.55 1x4s n THR 47 N -0.47 3.41 0.58 0.90 -1.04 -1.26 -4.46 114.28 111.94 1x4s n THR 47 Ca -0.04 -3.76 0.13 0.00 -2.04 0.00 0.00 64.05 58.34 1x4s n THR 47 Cb 0.60 -1.20 0.42 0.00 -1.82 0.00 0.00 70.33 68.33 1x4s n THR 47 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x4s n ALA 49 N -1.79 4.37 0.09 0.00 0.00 -1.26 -4.20 120.51 117.71 1x4s n ALA 49 Ca 0.05 -1.08 -0.23 0.00 0.00 0.00 0.00 53.44 52.18 1x4s n ALA 49 Cb 0.40 -1.22 -0.15 0.00 0.00 0.00 0.00 19.45 18.48 1x4s n ALA 49 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1x4s h GLU 50 N 1.01 0.41 0.00 0.00 4.39 -1.96 -3.41 114.58 115.01 1x4s h GLU 50 Ca 0.20 -0.69 -0.10 0.00 0.34 0.00 0.00 59.36 59.11 1x4s h GLU 50 Cb 1.16 0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 30.05 1x4s h GLU 50 CO 0.47 1.33 -1.36 -1.71 -1.16 0.00 0.00 179.01 176.58 1x4s n ASN 51 N -3.86 3.60 -4.56 1.42 2.85 -1.26 -4.95 115.26 108.50 1x4s n ASN 51 Ca -0.18 -0.02 -0.37 0.00 -0.11 0.00 0.00 54.58 53.90 1x4s n ASN 51 Cb 0.98 0.20 -0.03 0.00 1.24 0.00 0.00 39.78 42.18 1x4s n ASN 51 CO 0.00 0.00 0.00 0.12 -2.11 0.00 0.00 177.26 175.27 1x4s s PHE 52 N -2.13 1.18 0.09 1.20 5.36 -1.26 -4.92 117.98 117.50 1x4s s PHE 52 Ca -0.06 1.35 0.03 0.00 -0.96 0.00 0.00 56.93 57.29 1x4s s PHE 52 Cb 0.02 -3.70 -0.03 0.00 -0.34 0.00 0.00 43.02 38.97 1x4s s PHE 52 CO 0.17 -2.63 -0.10 0.71 -1.46 0.00 0.00 175.22 171.92 1x4s s TYR 53 N 11.32 1.00 -1.15 10.12 2.02 -1.26 -4.79 117.35 134.61 1x4s s TYR 53 Ca 0.93 -0.65 -0.11 0.00 -0.37 0.00 0.00 57.07 56.87 1x4s s TYR 53 Cb -0.18 -0.55 0.24 0.00 -0.40 0.00 0.00 41.96 41.07 1x4s s TYR 53 CO 0.26 -0.02 1.22 -1.54 -1.57 0.00 0.00 175.55 173.90 1x4s s SER 54 N -2.35 7.25 0.00 2.29 1.04 -1.26 -4.58 113.70 116.09 1x4s s SER 54 Ca 0.04 -3.42 0.00 0.00 0.48 0.00 0.00 55.95 53.05 1x4s s SER 54 Cb -0.03 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 63.81 1x4s s SER 54 CO -0.00 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.40 1x4s n GLY 55 N 3.14 -0.07 3.77 7.32 0.00 -1.26 -5.05 105.19 113.04 1x4s n GLY 55 Ca 0.28 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1x4s n GLY 55 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4s s PRO 56 N -2.90 3.03 0.01 1.61 0.04 -1.26 -5.05 135.00 130.47 1x4s s PRO 56 Ca 0.00 1.48 0.01 0.00 0.04 0.00 0.00 61.00 62.53 1x4s s PRO 56 Cb 0.00 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1x4s s PRO 56 CO 0.00 -1.09 0.04 -1.12 0.04 0.00 0.00 177.00 174.87 1x4s s SER 57 N -2.25 5.36 -0.11 6.66 0.01 -1.26 -5.10 113.70 117.01 1x4s s SER 57 Ca 0.69 0.05 -0.19 0.00 1.31 0.00 0.00 55.95 57.81 1x4s s SER 57 Cb -0.22 -1.46 -0.04 0.00 0.21 0.00 0.00 66.02 64.51 1x4s s SER 57 CO 0.36 0.27 0.53 -0.55 0.41 0.00 0.00 173.24 174.25 1x4s s SER 58 N -1.70 6.74 0.00 2.44 0.15 -1.26 -5.28 113.70 114.79 1x4s s SER 58 Ca 0.22 0.89 0.00 0.00 0.70 0.00 0.00 55.95 57.75 1x4s s SER 58 Cb -0.12 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 1x4s s SER 58 CO 0.13 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.14