#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4s h SER 2 N 0.00 0.07 -2.44 1.61 0.02 -2.06 -3.47 113.55 107.28 1x4s h SER 2 Ca 0.00 -0.67 -0.55 0.00 -0.84 0.00 0.00 61.79 59.73 1x4s h SER 2 Cb 0.00 -0.02 -0.14 0.00 0.14 0.00 0.00 62.40 62.38 1x4s h SER 2 CO 0.00 0.73 -0.64 -0.55 -1.14 0.00 0.00 176.83 175.22 1x4s s SER 3 N -5.97 3.20 0.29 3.07 0.15 -1.26 -5.10 113.70 108.08 1x4s s SER 3 Ca -0.17 -1.27 -0.18 0.00 0.70 0.00 0.00 55.95 55.04 1x4s s SER 3 Cb 0.01 -0.25 -0.12 0.00 -1.71 0.00 0.00 66.02 63.94 1x4s s SER 3 CO 0.70 -0.39 0.13 0.61 1.20 0.00 0.00 173.24 175.48 1x4s n GLY 4 N -0.75 -2.02 1.65 9.45 0.00 -1.26 -4.72 105.19 107.55 1x4s n GLY 4 Ca -0.05 0.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 1.79 5.48 -3.71 1.61 3.41 -1.26 -4.58 113.62 116.36 1x4s n SER 5 Ca 0.10 -2.51 -0.15 0.00 -0.26 0.00 0.00 58.87 56.04 1x4s n SER 5 Cb 0.29 -1.18 -0.15 0.00 -0.26 0.00 0.00 64.21 62.92 1x4s n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x4s s SER 6 N 1.76 0.34 0.00 4.04 1.04 -1.26 -4.94 113.70 114.68 1x4s s SER 6 Ca 0.17 0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.88 1x4s s SER 6 Cb 0.09 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1x4s s SER 6 CO -0.01 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.63 1x4s n GLY 7 N 4.75 2.10 3.60 7.32 0.00 -1.26 -4.94 105.19 116.75 1x4s n GLY 7 Ca -0.16 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 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 3.46 -0.20 1.61 1.00 -1.26 -4.99 119.30 118.92 1x4s s MET 8 Ca 0.00 1.01 -0.12 0.00 0.00 0.00 0.00 55.69 56.57 1x4s s MET 8 Cb 0.00 -4.09 -0.05 0.00 0.00 0.00 0.00 34.83 30.69 1x4s s MET 8 CO 0.00 -1.71 0.24 -1.21 0.00 0.00 0.00 175.02 172.34 1x4s s GLU 9 N 5.25 4.18 -1.13 2.03 2.02 -1.26 -4.91 118.70 124.87 1x4s s GLU 9 Ca 0.65 -0.05 -0.23 0.00 0.02 0.00 0.00 54.97 55.36 1x4s s GLU 9 Cb -0.16 -3.47 -0.08 0.00 0.10 0.00 0.00 34.13 30.52 1x4s s GLU 9 CO 0.32 0.16 1.94 -1.25 0.02 0.00 0.00 175.26 176.44 1x4s s PRO 10 N 0.75 2.50 0.69 0.39 0.04 -1.26 -4.94 135.00 133.17 1x4s s PRO 10 Ca 0.13 -1.01 -0.06 0.00 0.04 0.00 0.00 61.00 60.10 1x4s s PRO 10 Cb -0.13 -5.21 0.06 0.00 0.04 0.00 0.00 34.50 29.26 1x4s s PRO 10 CO 0.03 -3.88 0.99 0.00 0.04 0.00 0.00 177.00 174.18 1x4s s ALA 11 N 10.89 3.23 0.14 8.56 0.00 -1.26 -5.07 121.76 138.24 1x4s s ALA 11 Ca 0.69 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.67 1x4s s ALA 11 Cb -0.02 -2.54 -0.04 0.00 0.00 0.00 0.00 23.12 20.52 1x4s s ALA 11 CO 0.11 -1.27 -0.00 0.20 0.00 0.00 0.00 175.76 174.80 1x4s s GLY 12 N -4.52 1.01 -0.34 0.00 0.00 -1.19 -4.95 107.32 97.33 1x4s s GLY 12 Ca 0.60 -1.48 -0.29 0.00 0.00 0.00 0.00 44.72 43.56 1x4s s GLY 12 CO 0.44 -1.46 1.69 2.56 0.00 0.00 0.00 173.10 176.34 1x4s s PRO 13 N -3.93 3.42 -0.32 2.90 0.04 -1.26 0.90 135.00 136.75 1x4s s PRO 13 Ca 0.20 1.32 -0.30 0.00 0.04 0.00 0.00 61.00 62.26 1x4s s PRO 13 Cb 0.06 -4.15 -0.08 0.00 0.04 0.00 0.00 34.50 30.38 1x4s s PRO 13 CO 0.00 -1.76 2.25 0.00 0.04 0.00 0.00 177.00 177.54 1x4s h GLY 15 N 14.76 0.47 -1.26 0.00 0.00 -1.88 -3.33 103.07 111.83 1x4s h GLY 15 Ca -0.33 -1.20 0.46 0.00 0.00 0.00 0.00 47.33 46.26 1x4s h GLY 15 CO 1.02 1.05 0.81 0.74 0.00 0.00 0.00 176.54 180.15 1x4s h PHE 16 N 0.11 0.59 -4.21 5.60 0.04 -1.88 -3.40 116.94 113.79 1x4s h PHE 16 Ca -0.27 0.03 -0.54 0.00 2.80 0.00 0.00 57.97 59.99 1x4s h PHE 16 Cb 2.10 -0.14 0.18 0.00 2.20 0.00 0.00 35.95 40.30 1x4s h PHE 16 CO 0.10 -0.32 0.34 0.00 -0.60 0.00 0.00 178.31 177.83 1x4s s PRO 18 N -4.13 4.45 -0.14 0.00 0.04 -1.26 -4.88 135.00 129.08 1x4s s PRO 18 Ca 0.73 2.06 -0.32 0.00 0.04 0.00 0.00 61.00 63.51 1x4s s PRO 18 Cb -0.29 -3.13 -0.15 0.00 0.04 0.00 0.00 34.50 30.97 1x4s s PRO 18 CO 0.51 -0.07 0.94 0.00 0.04 0.00 0.00 177.00 178.41 1x4s n ALA 19 N 1.27 -2.11 0.00 8.56 0.00 -1.26 0.08 120.51 127.05 1x4s n ALA 19 Ca 0.01 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1x4s n ALA 19 Cb 0.43 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 1.83 2.99 1.92 0.00 0.00 -1.26 -4.86 105.19 105.80 1x4s n GLY 20 Ca 0.18 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 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 1.73 -2.46 1.61 1.02 0.11 -4.91 120.64 117.74 1x4s n GLU 21 Ca 0.00 -1.15 -0.43 0.00 -0.02 0.00 0.00 57.16 55.56 1x4s n GLU 21 Cb 0.00 -1.62 -0.02 0.00 -0.02 0.00 0.00 31.44 29.78 1x4s n GLU 21 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1x4s s VAL 22 N -0.95 4.26 0.22 2.62 1.01 -1.26 -4.53 120.40 121.77 1x4s s VAL 22 Ca 0.35 1.48 0.09 0.00 0.00 0.00 0.00 61.98 63.90 1x4s s VAL 22 Cb 0.22 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1x4s s VAL 22 CO -0.04 -0.32 -0.04 -1.10 0.00 0.00 0.00 175.10 173.60 1x4s s GLN 23 N 3.80 2.23 -0.37 2.72 -1.52 -1.26 -4.93 119.66 120.33 1x4s s GLN 23 Ca 0.54 -1.31 -0.28 0.00 -1.95 0.00 0.00 55.36 52.35 1x4s s GLN 23 Cb -0.18 -2.19 -0.01 0.00 -0.22 0.00 0.00 33.01 30.41 1x4s s GLN 23 CO 0.18 0.40 1.71 -1.25 -0.25 0.00 0.00 175.29 176.09 1x4s s PRO 24 N -3.25 3.34 -0.89 2.91 0.04 -1.26 -0.58 135.00 135.30 1x4s s PRO 24 Ca 0.28 1.25 -0.19 0.00 0.04 0.00 0.00 61.00 62.39 1x4s s PRO 24 Cb -0.08 -4.17 -0.12 0.00 0.04 0.00 0.00 34.50 30.18 1x4s s PRO 24 CO 0.18 -1.85 2.01 0.00 0.04 0.00 0.00 177.00 177.37 1x4s n ALA 25 N 10.11 3.86 0.07 8.56 0.00 0.26 -4.46 120.51 138.91 1x4s n ALA 25 Ca 0.21 -3.21 0.19 0.00 0.00 0.00 0.00 53.44 50.63 1x4s n ALA 25 Cb 0.47 -3.53 0.73 0.00 0.00 0.00 0.00 19.45 17.12 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 7.39 0.00 -5.99 0.00 2.47 -1.80 -3.15 114.38 113.30 1x4s h ARG 26 Ca 0.46 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 58.61 1x4s h ARG 26 Cb 0.59 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.86 1x4s h ARG 26 CO 1.88 0.00 -0.30 0.71 0.56 0.00 0.00 179.97 182.82 1x4s s TYR 27 N -4.86 1.74 -0.17 3.04 2.02 -1.24 -4.79 117.35 113.09 1x4s s TYR 27 Ca -0.05 -0.80 -0.27 0.00 -0.37 0.00 0.00 57.07 55.58 1x4s s TYR 27 Cb 0.18 -1.95 0.07 0.00 -0.40 0.00 0.00 41.96 39.85 1x4s s TYR 27 CO 0.65 -0.46 0.69 0.99 -1.57 0.00 0.00 175.55 175.86 1x4s s THR 28 N -2.73 0.00 -0.16 -0.71 2.01 -1.26 -2.65 115.64 110.14 1x4s s THR 28 Ca 0.37 -0.01 -0.29 0.00 0.31 0.00 0.00 61.69 62.08 1x4s s THR 28 Cb -0.02 -0.99 -0.05 0.00 0.01 0.00 0.00 72.50 71.45 1x4s s THR 28 CO 0.23 -0.00 1.93 0.00 -0.69 0.00 0.00 174.62 176.09 1x4s n PRO 30 N 8.08 0.49 -0.03 0.00 -0.04 -1.26 0.19 135.00 142.42 1x4s n PRO 30 Ca 0.23 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.65 1x4s n PRO 30 Cb 0.44 -1.27 -0.04 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.77 1.86 -0.89 0.54 5.12 -1.26 -4.75 116.66 116.50 1x4s n ARG 31 Ca 0.06 0.02 0.04 0.00 -1.93 0.00 0.00 57.85 56.04 1x4s n ARG 31 Cb 0.03 -1.16 0.06 0.00 -1.16 0.00 0.00 32.46 30.23 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 -0.17 -1.05 -4.42 0.00 4.13 0.49 -4.84 115.26 109.40 1x4s n ASN 33 Ca 0.08 -0.89 -0.39 0.00 1.68 0.00 0.00 54.58 55.06 1x4s n ASN 33 Cb 0.88 -1.08 -0.11 0.00 -1.54 0.00 0.00 39.78 37.92 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 -0.30 5.41 0.00 -1.19 -4.71 121.76 120.28 1x4s s ALA 34 Ca 0.17 -1.50 -0.29 0.00 0.00 0.00 0.00 51.96 50.34 1x4s s ALA 34 Cb -0.09 -2.46 -0.02 0.00 0.00 0.00 0.00 23.12 20.55 1x4s s ALA 34 CO 0.68 -1.07 1.67 -1.25 0.00 0.00 0.00 175.76 175.79 1x4s s PRO 35 N 1.60 3.55 -0.08 0.00 0.04 -1.26 0.26 135.00 139.11 1x4s s PRO 35 Ca 0.04 1.44 0.05 0.00 0.04 0.00 0.00 61.00 62.57 1x4s s PRO 35 Cb -0.18 -4.11 -0.01 0.00 0.04 0.00 0.00 34.50 30.25 1x4s s PRO 35 CO 0.07 -1.59 -0.24 1.52 0.04 0.00 0.00 177.00 176.79 1x4s s TYR 36 N 6.00 2.50 0.12 0.56 -0.85 -1.08 -4.48 117.35 120.12 1x4s s TYR 36 Ca 0.74 -0.85 -0.19 0.00 -0.52 0.00 0.00 57.07 56.24 1x4s s TYR 36 Cb -0.22 -1.65 -0.05 0.00 0.38 0.00 0.00 41.96 40.42 1x4s s TYR 36 CO 0.32 -0.30 1.77 0.00 -1.52 0.00 0.00 175.55 175.82 1x4s s SER 38 N -5.34 0.26 0.45 0.00 0.15 -1.26 -4.53 113.70 103.42 1x4s s SER 38 Ca -0.13 -0.91 0.32 0.00 0.70 0.00 0.00 55.95 55.93 1x4s s SER 38 Cb 0.09 0.31 1.47 0.00 -1.71 0.00 0.00 66.02 66.17 1x4s s SER 38 CO 0.69 -0.72 1.61 -0.07 1.20 0.00 0.00 173.24 175.95 1x4s h LEU 39 N 2.86 0.21 -0.34 3.45 -0.00 -1.98 0.12 115.31 119.62 1x4s h LEU 39 Ca -0.34 0.13 0.06 0.00 -0.00 0.00 0.00 57.88 57.74 1x4s h LEU 39 Cb 1.19 0.13 -0.08 0.00 -0.00 0.00 0.00 40.66 41.89 1x4s h LEU 39 CO 0.58 -0.19 -0.44 0.03 -0.00 0.00 0.00 178.44 178.41 1x4s h ARG 40 N 0.06 -0.36 -0.37 1.13 3.08 -1.98 -0.82 114.38 115.11 1x4s h ARG 40 Ca 0.84 0.02 -0.11 0.00 0.07 0.00 0.00 59.98 60.81 1x4s h ARG 40 Cb 2.72 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 32.84 1x4s h ARG 40 CO -0.41 -0.24 -0.22 0.00 -1.07 0.00 0.00 179.97 178.03 1x4s h TYR 42 N 0.64 0.00 0.03 0.00 3.20 -0.75 0.62 116.97 120.71 1x4s h TYR 42 Ca 0.09 0.00 -0.33 0.00 3.14 0.00 0.00 58.73 61.63 1x4s h TYR 42 Cb 0.71 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.94 1x4s h TYR 42 CO 0.03 0.00 -1.98 0.54 -1.64 0.00 0.00 178.16 175.12 1x4s n ARG 43 N -4.22 0.68 0.10 1.82 1.74 -0.49 -4.31 116.66 111.98 1x4s n ARG 43 Ca 0.10 0.22 -0.07 0.00 -0.77 0.00 0.00 57.85 57.34 1x4s n ARG 43 Cb 0.66 -1.70 -0.04 0.00 -1.02 0.00 0.00 32.46 30.36 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 0.21 -0.64 0.55 2.02 -0.37 -3.34 112.91 111.35 1x4s h THR 44 Ca -0.40 -0.84 0.09 0.00 0.77 0.00 0.00 66.41 66.04 1x4s h THR 44 Cb 2.05 0.35 -0.10 0.00 -1.74 0.00 0.00 68.15 68.71 1x4s h THR 44 CO 0.06 0.06 -0.27 0.00 0.37 0.00 0.00 175.52 175.74 1x4s n HIS 45 N -5.00 -0.02 -3.60 3.16 1.44 0.20 -4.63 115.22 106.77 1x4s n HIS 45 Ca -0.05 0.79 -0.10 0.00 -2.01 0.00 0.00 57.72 56.35 1x4s n HIS 45 Cb 0.18 -0.71 -0.06 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 -3.44 -0.20 -1.30 -1.39 0.00 -1.25 -5.08 107.32 94.67 1x4s s GLY 46 Ca -0.09 2.31 -0.18 0.00 0.00 0.00 0.00 44.72 46.76 1x4s s GLY 46 CO 0.45 1.32 1.76 -1.30 0.00 0.00 0.00 173.10 175.33 1x4s n THR 47 N 1.22 3.82 -0.10 0.90 -2.24 -1.26 -4.56 114.28 112.06 1x4s n THR 47 Ca -0.11 -3.96 -0.13 0.00 -2.27 0.00 0.00 64.05 57.58 1x4s n THR 47 Cb 0.57 -2.34 -0.10 0.00 -2.10 0.00 0.00 70.33 66.36 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 0.15 1.45 -0.72 0.00 0.00 -1.88 0.55 119.26 118.82 1x4s h ALA 49 Ca -0.46 0.28 0.15 0.00 0.00 0.00 0.00 54.91 54.87 1x4s h ALA 49 Cb 1.78 0.42 -0.10 0.00 0.00 0.00 0.00 17.79 19.89 1x4s h ALA 49 CO -0.05 -0.62 0.21 1.05 0.00 0.00 0.00 179.25 179.84 1x4s h GLU 50 N 0.09 0.32 -0.03 0.00 4.11 -1.90 -2.11 114.58 115.05 1x4s h GLU 50 Ca 0.64 -0.02 -0.06 0.00 0.07 0.00 0.00 59.36 59.99 1x4s h GLU 50 Cb 1.43 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1x4s h GLU 50 CO -0.78 0.21 -0.23 -0.91 0.07 0.00 0.00 179.01 177.36 1x4s h ASN 51 N 0.33 0.26 -0.48 3.06 2.35 -0.23 -3.34 115.58 117.52 1x4s h ASN 51 Ca 0.40 -0.69 0.04 0.00 -0.55 0.00 0.00 56.30 55.50 1x4s h ASN 51 Cb 0.65 -0.08 -0.06 0.00 0.05 0.00 0.00 38.32 38.88 1x4s h ASN 51 CO -0.46 0.91 -0.28 0.33 -1.65 0.00 0.00 177.43 176.28 1x4s n PHE 52 N -4.53 -0.21 -2.35 1.19 7.35 -0.29 -4.45 117.46 114.17 1x4s n PHE 52 Ca -0.09 0.60 -0.24 0.00 -0.76 0.00 0.00 57.45 56.96 1x4s n PHE 52 Cb 0.47 -0.49 0.06 0.00 0.35 0.00 0.00 39.48 39.87 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 -4.57 2.78 0.00 -5.13 1.13 -1.10 -5.04 117.35 105.42 1x4s s TYR 53 Ca -0.06 0.25 0.00 0.00 -1.41 0.00 0.00 57.07 55.85 1x4s s TYR 53 Cb 0.05 -3.07 0.00 0.00 -1.10 0.00 0.00 41.96 37.84 1x4s s TYR 53 CO 0.30 -1.29 0.00 0.43 -2.51 0.00 0.00 175.55 172.47 1x4s n SER 54 N -2.76 1.37 0.00 -0.18 7.64 -1.26 -4.89 113.62 113.53 1x4s n SER 54 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1x4s n SER 54 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1x4s n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4s n GLY 55 N 2.57 1.45 3.55 0.23 0.00 -1.26 -3.73 105.19 108.01 1x4s n GLY 55 Ca 0.00 0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 2.62 -0.08 1.61 0.04 -1.26 -4.96 135.00 132.97 1x4s s PRO 56 Ca 0.00 0.59 -0.30 0.00 0.04 0.00 0.00 61.00 61.33 1x4s s PRO 56 Cb 0.00 -4.41 -0.03 0.00 0.04 0.00 0.00 34.50 30.10 1x4s s PRO 56 CO 0.00 -2.76 1.27 -1.54 0.04 0.00 0.00 177.00 174.01 1x4s s SER 57 N 8.12 6.97 -0.00 6.66 1.04 -1.24 -4.93 113.70 130.32 1x4s s SER 57 Ca 0.67 1.84 -0.21 0.00 0.48 0.00 0.00 55.95 58.73 1x4s s SER 57 Cb -0.12 -2.55 -0.21 0.00 0.10 0.00 0.00 66.02 63.24 1x4s s SER 57 CO 0.20 -0.67 1.14 0.77 0.98 0.00 0.00 173.24 175.66 1x4s h SER 58 N 7.83 0.40 0.00 7.02 4.64 -1.92 -3.55 113.55 127.96 1x4s h SER 58 Ca -0.33 -0.69 0.00 0.00 -0.47 0.00 0.00 61.79 60.30 1x4s h SER 58 Cb 1.15 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1x4s h SER 58 CO 0.91 1.03 0.00 0.61 -0.87 0.00 0.00 176.83 178.51