#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 2.80 -0.03 1.61 0.15 -1.26 -5.12 113.70 111.86 1x4s s SER 2 Ca 0.00 -0.51 -0.00 0.00 0.70 0.00 0.00 55.95 56.14 1x4s s SER 2 Cb 0.00 -1.28 0.03 0.00 -1.71 0.00 0.00 66.02 63.06 1x4s s SER 2 CO 0.00 0.10 0.04 -0.44 1.20 0.00 0.00 173.24 174.14 1x4s s SER 3 N 0.58 0.24 -0.73 5.45 0.01 -1.26 -5.05 113.70 112.95 1x4s s SER 3 Ca -0.14 0.06 -0.01 0.00 1.31 0.00 0.00 55.95 57.17 1x4s s SER 3 Cb -0.17 -0.07 0.40 0.00 0.21 0.00 0.00 66.02 66.40 1x4s s SER 3 CO 0.04 -0.15 1.96 0.61 0.41 0.00 0.00 173.24 176.11 1x4s n GLY 4 N 4.38 5.74 3.70 3.44 0.00 -1.26 -5.02 105.19 116.17 1x4s n GLY 4 Ca -0.24 -2.43 -0.38 0.00 0.00 0.00 0.00 46.02 42.98 1x4s n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x4s n SER 5 N -0.71 1.82 -4.35 1.61 2.88 -1.26 -5.00 113.62 108.61 1x4s n SER 5 Ca 0.57 0.85 -0.34 0.00 -1.33 0.00 0.00 58.87 58.62 1x4s n SER 5 Cb 0.47 -1.51 -0.14 0.00 -0.75 0.00 0.00 64.21 62.28 1x4s n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x4s s SER 6 N -1.25 4.28 0.26 -3.46 0.15 -1.26 -4.93 113.70 107.50 1x4s s SER 6 Ca 0.79 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 57.09 1x4s s SER 6 Cb -0.40 -1.71 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 1x4s s SER 6 CO 0.44 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.54 1x4s n GLY 7 N 4.30 1.22 3.98 9.45 0.00 -1.26 -4.92 105.19 117.96 1x4s n GLY 7 Ca -0.18 -0.67 -0.20 0.00 0.00 0.00 0.00 46.02 44.96 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 3.08 -0.11 1.61 1.00 -1.26 -5.11 119.30 118.51 1x4s s MET 8 Ca 0.00 -0.81 -0.05 0.00 0.00 0.00 0.00 55.69 54.83 1x4s s MET 8 Cb 0.00 -2.71 -0.04 0.00 0.00 0.00 0.00 34.83 32.08 1x4s s MET 8 CO 0.00 -0.09 0.06 -1.83 0.00 0.00 0.00 175.02 173.17 1x4s s GLU 9 N -4.33 3.29 1.24 2.03 -1.05 -1.26 -4.96 118.70 113.66 1x4s s GLU 9 Ca 0.47 -0.29 -0.21 0.00 -0.15 0.00 0.00 54.97 54.79 1x4s s GLU 9 Cb -0.10 -3.00 0.30 0.00 -0.44 0.00 0.00 34.13 30.90 1x4s s GLU 9 CO 0.34 0.68 1.11 -1.25 0.95 0.00 0.00 175.26 177.09 1x4s s PRO 10 N -0.78 -1.54 0.19 -4.83 0.04 -1.26 -5.09 135.00 121.73 1x4s s PRO 10 Ca 0.13 -0.18 0.06 0.00 0.04 0.00 0.00 61.00 61.05 1x4s s PRO 10 Cb -0.12 -1.57 -0.05 0.00 0.04 0.00 0.00 34.50 32.81 1x4s s PRO 10 CO 0.03 -3.90 -0.11 0.00 0.04 0.00 0.00 177.00 173.06 1x4s s ALA 11 N -3.01 1.79 0.17 8.56 0.00 -1.26 -4.92 121.76 123.08 1x4s s ALA 11 Ca 0.72 -1.62 0.10 0.00 0.00 0.00 0.00 51.96 51.16 1x4s s ALA 11 Cb -0.08 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 1x4s s ALA 11 CO 0.56 -0.04 -0.23 0.20 0.00 0.00 0.00 175.76 176.25 1x4s s GLY 12 N -3.26 1.55 -0.39 0.00 0.00 -1.24 -4.94 107.32 99.04 1x4s s GLY 12 Ca 0.21 -1.53 -0.28 0.00 0.00 0.00 0.00 44.72 43.12 1x4s s GLY 12 CO 0.05 -1.55 1.73 2.56 0.00 0.00 0.00 173.10 175.88 1x4s s PRO 13 N -2.52 3.27 -0.35 2.90 0.04 -1.26 0.74 135.00 137.82 1x4s s PRO 13 Ca 0.17 1.19 -0.27 0.00 0.04 0.00 0.00 61.00 62.12 1x4s s PRO 13 Cb -0.08 -4.19 -0.06 0.00 0.04 0.00 0.00 34.50 30.21 1x4s s PRO 13 CO 0.08 -1.94 2.32 0.00 0.04 0.00 0.00 177.00 177.50 1x4s h GLY 15 N 17.09 0.41 -1.46 0.00 0.00 -1.88 -3.30 103.07 113.93 1x4s h GLY 15 Ca -0.33 -0.95 0.44 0.00 0.00 0.00 0.00 47.33 46.50 1x4s h GLY 15 CO 1.05 0.83 1.03 0.69 0.00 0.00 0.00 176.54 180.14 1x4s n PHE 16 N -4.10 0.14 -1.73 5.60 3.72 -1.26 -4.35 117.46 115.48 1x4s n PHE 16 Ca -0.13 0.14 -0.33 0.00 -0.05 0.00 0.00 57.45 57.08 1x4s n PHE 16 Cb 0.82 -0.54 0.05 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 -4.10 4.39 0.05 0.00 0.04 -1.26 -4.89 135.00 129.23 1x4s s PRO 18 Ca 0.67 2.05 -0.19 0.00 0.04 0.00 0.00 61.00 63.57 1x4s s PRO 18 Cb -0.21 -3.20 -0.10 0.00 0.04 0.00 0.00 34.50 31.03 1x4s s PRO 18 CO 0.42 -0.25 0.45 0.00 0.04 0.00 0.00 177.00 177.65 1x4s n ALA 19 N 2.64 -2.16 0.00 8.56 0.00 -1.26 -0.65 120.51 127.65 1x4s n ALA 19 Ca 0.06 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1x4s n ALA 19 Cb 0.43 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 0.97 2.41 1.81 0.00 0.00 -1.26 -4.81 105.19 104.32 1x4s n GLY 20 Ca 0.11 -0.49 -0.08 0.00 0.00 0.00 0.00 46.02 45.56 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 1.60 -2.38 1.61 -0.58 0.18 -4.90 120.64 116.17 1x4s n GLU 21 Ca 0.00 -0.68 -0.43 0.00 -0.42 0.00 0.00 57.16 55.64 1x4s n GLU 21 Cb 0.00 -1.58 -0.02 0.00 -0.57 0.00 0.00 31.44 29.27 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 0.28 4.17 0.21 2.62 1.01 -1.26 -4.57 120.40 122.87 1x4s s VAL 22 Ca 0.37 1.40 0.08 0.00 0.00 0.00 0.00 61.98 63.83 1x4s s VAL 22 Cb 0.19 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1x4s s VAL 22 CO -0.01 -0.22 0.01 -1.10 0.00 0.00 0.00 175.10 173.78 1x4s s GLN 23 N 3.75 2.39 -0.41 2.72 -0.21 -1.26 -4.94 119.66 121.69 1x4s s GLN 23 Ca 0.57 -1.22 -0.28 0.00 0.02 0.00 0.00 55.36 54.45 1x4s s GLN 23 Cb -0.21 -2.29 -0.01 0.00 1.00 0.00 0.00 33.01 31.49 1x4s s GLN 23 CO 0.18 0.42 1.74 -1.25 -2.12 0.00 0.00 175.29 174.26 1x4s s PRO 24 N -3.26 3.21 -1.07 2.91 0.04 -1.26 -1.04 135.00 134.52 1x4s s PRO 24 Ca 0.29 1.14 -0.07 0.00 0.04 0.00 0.00 61.00 62.39 1x4s s PRO 24 Cb -0.08 -4.21 -0.09 0.00 0.04 0.00 0.00 34.50 30.16 1x4s s PRO 24 CO 0.19 -2.02 2.58 0.00 0.04 0.00 0.00 177.00 177.80 1x4s n ALA 25 N 10.62 5.95 0.07 8.56 0.00 0.23 -4.37 120.51 141.56 1x4s n ALA 25 Ca 0.21 -2.53 0.21 0.00 0.00 0.00 0.00 53.44 51.33 1x4s n ALA 25 Cb 0.48 -3.05 0.74 0.00 0.00 0.00 0.00 19.45 17.63 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 5.38 0.00 -6.24 0.00 3.08 -1.79 -3.29 114.38 111.52 1x4s h ARG 26 Ca 0.60 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 60.02 1x4s h ARG 26 Cb 0.36 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.32 1x4s h ARG 26 CO 1.41 0.00 -0.61 0.71 -1.07 0.00 0.00 179.97 180.41 1x4s s TYR 27 N -4.70 3.11 -0.01 3.04 2.02 -1.21 -4.92 117.35 114.69 1x4s s TYR 27 Ca -0.04 0.02 0.01 0.00 -0.37 0.00 0.00 57.07 56.69 1x4s s TYR 27 Cb 0.16 -1.57 0.00 0.00 -0.40 0.00 0.00 41.96 40.16 1x4s s TYR 27 CO 0.59 0.51 -0.03 0.99 -1.57 0.00 0.00 175.55 176.03 1x4s s THR 28 N -1.45 0.30 -0.17 -0.71 2.01 -1.26 -0.49 115.64 113.87 1x4s s THR 28 Ca 0.29 -0.14 -0.30 0.00 0.31 0.00 0.00 61.69 61.85 1x4s s THR 28 Cb -0.12 -0.27 -0.08 0.00 0.01 0.00 0.00 72.50 72.04 1x4s s THR 28 CO 0.21 0.10 2.13 0.00 -0.69 0.00 0.00 174.62 176.36 1x4s n PRO 30 N 8.16 0.49 -0.04 0.00 -0.04 -1.26 0.22 135.00 142.52 1x4s n PRO 30 Ca 0.29 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.69 1x4s n PRO 30 Cb 0.39 -1.14 -0.05 0.00 -0.04 0.00 0.00 33.50 32.66 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 -0.64 1.32 -0.27 0.54 5.12 -1.26 -4.75 116.66 116.72 1x4s n ARG 31 Ca 0.03 0.03 0.03 0.00 -1.93 0.00 0.00 57.85 56.01 1x4s n ARG 31 Cb 0.01 -1.18 0.04 0.00 -1.16 0.00 0.00 32.46 30.17 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 -0.48 -1.93 -4.40 0.00 3.02 0.60 -4.89 115.26 107.18 1x4s n ASN 33 Ca 0.05 -1.22 -0.38 0.00 -0.03 0.00 0.00 54.58 53.00 1x4s n ASN 33 Cb 0.62 -2.06 -0.12 0.00 -0.61 0.00 0.00 39.78 37.62 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 -3.88 3.20 -0.30 5.41 0.00 -1.18 -4.73 121.76 120.28 1x4s s ALA 34 Ca 0.25 -1.46 -0.29 0.00 0.00 0.00 0.00 51.96 50.46 1x4s s ALA 34 Cb -0.13 -2.33 -0.02 0.00 0.00 0.00 0.00 23.12 20.65 1x4s s ALA 34 CO 0.96 -0.98 1.66 -1.25 0.00 0.00 0.00 175.76 176.15 1x4s s PRO 35 N 1.56 3.55 0.04 0.00 0.04 -1.26 0.07 135.00 139.00 1x4s s PRO 35 Ca 0.03 1.44 0.09 0.00 0.04 0.00 0.00 61.00 62.60 1x4s s PRO 35 Cb -0.17 -4.11 -0.03 0.00 0.04 0.00 0.00 34.50 30.23 1x4s s PRO 35 CO 0.05 -1.59 -0.25 1.52 0.04 0.00 0.00 177.00 176.77 1x4s s TYR 36 N 6.00 2.16 0.03 0.56 -0.85 0.35 -4.50 117.35 121.10 1x4s s TYR 36 Ca 0.74 -0.40 -0.23 0.00 -0.52 0.00 0.00 57.07 56.66 1x4s s TYR 36 Cb -0.22 -1.30 -0.16 0.00 0.38 0.00 0.00 41.96 40.66 1x4s s TYR 36 CO 0.32 0.10 1.39 0.00 -1.52 0.00 0.00 175.55 175.84 1x4s s SER 38 N -5.78 0.06 0.41 0.00 0.15 -1.26 -4.62 113.70 102.65 1x4s s SER 38 Ca -0.15 -1.18 0.21 0.00 0.70 0.00 0.00 55.95 55.53 1x4s s SER 38 Cb 0.04 0.48 1.17 0.00 -1.71 0.00 0.00 66.02 66.00 1x4s s SER 38 CO 0.70 -0.99 1.75 -0.07 1.20 0.00 0.00 173.24 175.84 1x4s h LEU 39 N 2.44 0.40 -0.95 3.45 -0.00 -1.98 0.23 115.31 118.89 1x4s h LEU 39 Ca -0.31 0.09 0.20 0.00 -0.00 0.00 0.00 57.88 57.86 1x4s h LEU 39 Cb 1.25 0.03 -0.11 0.00 -0.00 0.00 0.00 40.66 41.83 1x4s h LEU 39 CO 0.44 0.04 0.53 0.08 -0.00 0.00 0.00 178.44 179.53 1x4s h ARG 40 N 0.33 0.59 0.09 1.13 0.11 -2.00 0.31 114.38 114.95 1x4s h ARG 40 Ca 0.62 -0.04 -0.28 0.00 0.10 0.00 0.00 59.98 60.39 1x4s h ARG 40 Cb 1.68 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 32.62 1x4s h ARG 40 CO -0.31 0.39 -1.37 0.00 0.10 0.00 0.00 179.97 178.79 1x4s h TYR 42 N 0.05 0.14 0.02 0.00 3.20 -0.39 0.32 116.97 120.30 1x4s h TYR 42 Ca -0.17 0.00 -0.29 0.00 3.14 0.00 0.00 58.73 61.41 1x4s h TYR 42 Cb 1.96 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 40.14 1x4s h TYR 42 CO 0.05 0.12 -1.63 0.00 -1.64 0.00 0.00 178.16 175.06 1x4s h ARG 43 N 0.15 0.03 0.20 1.82 3.08 -1.10 -3.36 114.38 115.20 1x4s h ARG 43 Ca 0.04 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1x4s h ARG 43 Cb 0.04 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1x4s h ARG 43 CO -0.00 0.64 -0.10 1.15 -1.07 0.00 0.00 179.97 180.59 1x4s h THR 44 N 0.01 0.15 -0.87 2.04 2.02 -1.13 -3.35 112.91 111.78 1x4s h THR 44 Ca -0.26 -0.89 0.12 0.00 0.77 0.00 0.00 66.41 66.16 1x4s h THR 44 Cb 1.98 0.27 -0.13 0.00 -1.74 0.00 0.00 68.15 68.53 1x4s h THR 44 CO 0.09 0.04 -0.37 0.00 0.37 0.00 0.00 175.52 175.65 1x4s n HIS 45 N -4.95 -0.05 -3.66 3.16 1.44 0.11 -4.73 115.22 106.54 1x4s n HIS 45 Ca -0.04 1.07 -0.09 0.00 -2.01 0.00 0.00 57.72 56.65 1x4s n HIS 45 Cb 0.14 -0.78 -0.02 0.00 0.12 0.00 0.00 29.99 29.45 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 -3.35 -0.31 -0.86 -1.39 0.00 -1.26 -5.06 107.32 95.09 1x4s s GLY 46 Ca -0.12 0.04 -0.03 0.00 0.00 0.00 0.00 44.72 44.62 1x4s s GLY 46 CO 0.60 -0.00 2.21 -1.30 0.00 0.00 0.00 173.10 174.61 1x4s n THR 47 N -0.41 4.34 -0.40 0.90 -2.24 -1.26 -4.38 114.28 110.82 1x4s n THR 47 Ca -0.10 -4.39 -0.14 0.00 -2.27 0.00 0.00 64.05 57.15 1x4s n THR 47 Cb 0.62 -1.50 0.07 0.00 -2.10 0.00 0.00 70.33 67.42 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 -0.09 1.73 -0.27 0.00 0.00 -1.26 -4.15 120.51 116.47 1x4s n ALA 49 Ca 0.30 -0.68 0.03 0.00 0.00 0.00 0.00 53.44 53.09 1x4s n ALA 49 Cb 0.90 0.18 0.16 0.00 0.00 0.00 0.00 19.45 20.69 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 -0.19 0.65 0.48 0.00 4.39 -1.99 -2.90 114.58 115.03 1x4s h GLU 50 Ca -0.38 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.26 1x4s h GLU 50 Cb 1.50 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.01 1x4s h GLU 50 CO -0.12 0.43 -0.23 -0.91 -1.16 0.00 0.00 179.01 177.02 1x4s h ASN 51 N 0.67 -0.55 -0.78 1.42 4.21 -1.81 -3.38 115.58 115.36 1x4s h ASN 51 Ca 0.39 -0.07 -0.40 0.00 1.21 0.00 0.00 56.30 57.43 1x4s h ASN 51 Cb 0.42 0.14 -0.06 0.00 -1.12 0.00 0.00 38.32 37.70 1x4s h ASN 51 CO -0.28 -0.15 1.06 0.12 -1.29 0.00 0.00 177.43 176.89 1x4s s PHE 52 N -4.28 2.07 -0.17 1.19 5.36 -1.09 -4.73 117.98 116.32 1x4s s PHE 52 Ca -0.13 0.11 -0.20 0.00 -0.96 0.00 0.00 56.93 55.75 1x4s s PHE 52 Cb 0.01 -4.24 -0.17 0.00 -0.34 0.00 0.00 43.02 38.28 1x4s s PHE 52 CO 0.42 -1.72 0.27 1.88 -1.46 0.00 0.00 175.22 174.62 1x4s h TYR 53 N 10.46 0.00 -6.76 10.12 0.05 -1.75 -3.45 116.97 125.64 1x4s h TYR 53 Ca 0.16 0.00 -0.55 0.00 0.05 0.00 0.00 58.73 58.39 1x4s h TYR 53 Cb 0.99 0.00 -0.27 0.00 1.01 0.00 0.00 36.73 38.46 1x4s h TYR 53 CO 1.25 1.05 -0.82 -1.13 -1.05 0.00 0.00 178.16 177.45 1x4s n SER 54 N -4.53 -0.43 -0.71 3.88 3.41 -1.26 -4.82 113.62 109.16 1x4s n SER 54 Ca -0.21 -1.11 0.00 0.00 -0.26 0.00 0.00 58.87 57.29 1x4s n SER 54 Cb 0.52 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.07 1x4s n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4s n GLY 55 N -1.67 2.68 0.00 5.00 0.00 -1.26 -5.01 105.19 104.93 1x4s n GLY 55 Ca -0.08 -1.06 0.07 0.00 0.00 0.00 0.00 46.02 44.95 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 0.28 -2.10 1.61 -0.04 -1.26 -4.67 135.00 128.81 1x4s n PRO 56 Ca 0.00 0.11 -0.40 0.00 -0.04 0.00 0.00 63.50 63.17 1x4s n PRO 56 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 1x4s n PRO 56 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x4s s SER 57 N -2.43 5.61 -0.00 3.54 0.01 -1.26 -4.87 113.70 114.29 1x4s s SER 57 Ca 0.16 0.58 -0.24 0.00 1.31 0.00 0.00 55.95 57.77 1x4s s SER 57 Cb 0.10 -2.53 -0.14 0.00 0.21 0.00 0.00 66.02 63.66 1x4s s SER 57 CO 0.22 -2.06 1.04 0.77 0.41 0.00 0.00 173.24 173.62 1x4s h SER 58 N 13.62 -0.55 0.00 2.44 4.64 -2.02 -3.47 113.55 128.20 1x4s h SER 58 Ca -0.28 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1x4s h SER 58 Cb 1.15 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1x4s h SER 58 CO 1.16 -0.15 0.00 0.61 -0.87 0.00 0.00 176.83 177.58