#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 -0.41 0.22 1.61 0.01 -1.26 -5.17 113.70 108.71 1x4s s SER 2 Ca 0.00 0.76 -0.22 0.00 1.31 0.00 0.00 55.95 57.80 1x4s s SER 2 Cb 0.00 0.71 0.06 0.00 0.21 0.00 0.00 66.02 67.00 1x4s s SER 2 CO 0.00 -0.15 0.95 -0.94 0.41 0.00 0.00 173.24 173.50 1x4s s SER 3 N 0.72 -0.06 0.92 2.44 1.04 -1.26 -5.10 113.70 112.40 1x4s s SER 3 Ca -0.04 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.70 1x4s s SER 3 Cb -0.05 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1x4s s SER 3 CO -0.05 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 173.65 1x4s n GLY 4 N -0.58 1.71 2.74 7.32 0.00 -1.26 -4.61 105.19 110.52 1x4s n GLY 4 Ca -0.05 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 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 -4.00 2.73 0.10 1.61 0.15 -1.26 -5.01 113.70 108.02 1x4s s SER 5 Ca 0.00 -0.72 -0.14 0.00 0.70 0.00 0.00 55.95 55.79 1x4s s SER 5 Cb 0.00 -0.58 -0.09 0.00 -1.71 0.00 0.00 66.02 63.64 1x4s s SER 5 CO 0.00 -0.29 1.40 0.28 1.20 0.00 0.00 173.24 175.83 1x4s h SER 6 N 8.25 0.83 -2.25 5.45 0.02 -2.01 -3.45 113.55 120.40 1x4s h SER 6 Ca -0.17 -0.51 -0.50 0.00 -0.84 0.00 0.00 61.79 59.77 1x4s h SER 6 Cb 1.12 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 63.38 1x4s h SER 6 CO 0.33 1.18 -0.51 -0.83 -1.14 0.00 0.00 176.83 175.86 1x4s s GLY 7 N -3.81 1.41 -0.05 -3.77 0.00 -1.26 -5.06 107.32 94.78 1x4s s GLY 7 Ca -0.12 -1.35 -0.09 0.00 0.00 0.00 0.00 44.72 43.16 1x4s s GLY 7 CO 0.85 -1.39 -0.18 -0.13 0.00 0.00 0.00 173.10 172.26 1x4s n MET 8 N -1.13 0.28 -1.45 2.90 0.00 -1.26 -5.03 117.12 111.42 1x4s n MET 8 Ca -0.08 0.11 -0.38 0.00 -0.00 0.00 0.00 57.70 57.35 1x4s n MET 8 Cb 0.57 -0.99 0.04 0.00 0.00 0.00 0.00 33.22 32.84 1x4s n MET 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1x4s n GLU 9 N -4.00 0.49 -2.05 2.12 1.02 -1.26 -4.78 120.64 112.18 1x4s n GLU 9 Ca -0.08 0.19 -0.27 0.00 -0.02 0.00 0.00 57.16 56.99 1x4s n GLU 9 Cb 0.28 -1.69 -0.05 0.00 -0.02 0.00 0.00 31.44 29.96 1x4s n GLU 9 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1x4s s PRO 10 N -2.08 2.54 0.23 3.49 0.04 -1.26 -4.89 135.00 133.07 1x4s s PRO 10 Ca 0.68 -0.45 -0.07 0.00 0.04 0.00 0.00 61.00 61.21 1x4s s PRO 10 Cb -0.44 -5.10 -0.02 0.00 0.04 0.00 0.00 34.50 28.98 1x4s s PRO 10 CO 0.55 -3.49 0.31 0.00 0.04 0.00 0.00 177.00 174.40 1x4s s ALA 11 N 10.26 0.49 0.09 8.56 0.00 -1.26 -4.95 121.76 134.95 1x4s s ALA 11 Ca 0.70 -1.31 0.02 0.00 0.00 0.00 0.00 51.96 51.37 1x4s s ALA 11 Cb -0.06 1.23 -0.04 0.00 0.00 0.00 0.00 23.12 24.26 1x4s s ALA 11 CO 0.02 -0.72 -0.08 0.20 0.00 0.00 0.00 175.76 175.18 1x4s s GLY 12 N -3.10 0.73 -0.40 0.00 0.00 -0.80 -4.96 107.32 98.80 1x4s s GLY 12 Ca 0.31 -1.19 -0.28 0.00 0.00 0.00 0.00 44.72 43.56 1x4s s GLY 12 CO 0.11 -1.28 1.73 2.56 0.00 0.00 0.00 173.10 176.22 1x4s s PRO 13 N -3.12 3.26 -0.66 2.90 0.04 -1.26 0.23 135.00 136.37 1x4s s PRO 13 Ca 0.06 1.18 -0.31 0.00 0.04 0.00 0.00 61.00 61.97 1x4s s PRO 13 Cb 0.00 -4.20 -0.17 0.00 0.04 0.00 0.00 34.50 30.17 1x4s s PRO 13 CO -0.03 -1.95 2.08 0.00 0.04 0.00 0.00 177.00 177.14 1x4s n GLY 15 N 5.85 3.97 0.00 0.00 0.00 -1.24 -3.76 105.19 110.01 1x4s n GLY 15 Ca 0.52 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 0.63 0.00 -0.79 1.61 3.72 -1.26 -5.09 117.46 116.28 1x4s n PHE 16 Ca 0.31 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.39 1x4s n PHE 16 Cb 0.58 0.00 0.14 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 -4.15 4.42 -0.37 0.00 0.04 -1.26 -4.86 135.00 128.82 1x4s s PRO 18 Ca 0.64 2.05 -0.35 0.00 0.04 0.00 0.00 61.00 63.39 1x4s s PRO 18 Cb -0.24 -3.17 -0.15 0.00 0.04 0.00 0.00 34.50 30.99 1x4s s PRO 18 CO 0.60 -0.17 1.26 0.00 0.04 0.00 0.00 177.00 178.74 1x4s n ALA 19 N 2.01 -0.79 0.00 8.56 0.00 -1.26 -0.09 120.51 128.94 1x4s n ALA 19 Ca 0.04 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1x4s n ALA 19 Cb 0.43 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 3.45 3.15 2.13 0.00 0.00 -1.26 -4.90 105.19 107.75 1x4s n GLY 20 Ca 0.26 -0.97 -0.21 0.00 0.00 0.00 0.00 46.02 45.11 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 2.05 -2.45 1.61 1.02 0.88 -4.93 120.64 118.82 1x4s n GLU 21 Ca 0.00 -1.87 -0.43 0.00 -0.02 0.00 0.00 57.16 54.84 1x4s n GLU 21 Cb 0.00 -1.84 -0.02 0.00 -0.02 0.00 0.00 31.44 29.56 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 -2.23 4.15 0.17 2.62 1.01 -1.26 -4.57 120.40 120.29 1x4s s VAL 22 Ca 0.43 1.29 0.08 0.00 0.00 0.00 0.00 61.98 63.77 1x4s s VAL 22 Cb 0.30 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1x4s s VAL 22 CO -0.09 -0.54 -0.02 -1.10 0.00 0.00 0.00 175.10 173.35 1x4s s GLN 23 N 4.22 2.33 -0.45 2.72 -1.52 -1.26 -4.97 119.66 120.73 1x4s s GLN 23 Ca 0.55 -1.13 -0.28 0.00 -1.95 0.00 0.00 55.36 52.55 1x4s s GLN 23 Cb -0.15 -2.32 -0.02 0.00 -0.22 0.00 0.00 33.01 30.30 1x4s s GLN 23 CO 0.24 0.45 1.76 -1.25 -0.25 0.00 0.00 175.29 176.25 1x4s s PRO 24 N -2.89 3.10 -0.93 2.91 0.04 -1.26 -0.29 135.00 135.68 1x4s s PRO 24 Ca 0.27 1.04 -0.24 0.00 0.04 0.00 0.00 61.00 62.10 1x4s s PRO 24 Cb -0.09 -4.24 -0.03 0.00 0.04 0.00 0.00 34.50 30.17 1x4s s PRO 24 CO 0.18 -2.15 1.85 0.00 0.04 0.00 0.00 177.00 176.91 1x4s s ALA 25 N 7.51 1.88 0.33 8.56 0.00 0.61 -4.68 121.76 135.97 1x4s s ALA 25 Ca 0.72 -1.67 0.07 0.00 0.00 0.00 0.00 51.96 51.08 1x4s s ALA 25 Cb -0.17 -4.55 0.59 0.00 0.00 0.00 0.00 23.12 18.99 1x4s s ALA 25 CO 0.28 -4.58 1.81 0.00 0.00 0.00 0.00 175.76 173.27 1x4s h ARG 26 N 10.96 0.31 0.00 0.00 3.08 -1.77 -2.13 114.38 124.83 1x4s h ARG 26 Ca 0.12 -0.10 -0.37 0.00 0.07 0.00 0.00 59.98 59.70 1x4s h ARG 26 Cb 1.00 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 31.04 1x4s h ARG 26 CO 1.25 0.53 -0.07 0.66 -1.07 0.00 0.00 179.97 181.27 1x4s n TYR 27 N -4.17 -2.24 -3.58 3.04 4.01 -1.24 -4.76 117.16 108.21 1x4s n TYR 27 Ca -0.01 -1.58 -0.14 0.00 -0.16 0.00 0.00 57.90 56.01 1x4s n TYR 27 Cb 0.36 -0.40 -0.06 0.00 -0.31 0.00 0.00 39.34 38.93 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 -1.70 0.00 -0.15 -0.72 2.01 -1.26 -2.95 115.64 110.87 1x4s s THR 28 Ca 0.42 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 62.13 1x4s s THR 28 Cb -0.03 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.43 1x4s s THR 28 CO 0.27 0.00 1.79 0.00 -0.69 0.00 0.00 174.62 175.98 1x4s n PRO 30 N 7.74 0.49 -0.07 0.00 -0.04 -1.26 0.19 135.00 142.04 1x4s n PRO 30 Ca 0.21 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.58 1x4s n PRO 30 Cb 0.44 -1.39 -0.08 0.00 -0.04 0.00 0.00 33.50 32.43 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 -0.89 1.09 -0.99 0.54 3.00 -1.26 -4.71 116.66 113.44 1x4s n ARG 31 Ca 0.09 0.05 0.04 0.00 -0.01 0.00 0.00 57.85 58.02 1x4s n ARG 31 Cb 0.04 -1.32 0.06 0.00 0.00 0.00 0.00 32.46 31.25 1x4s n ARG 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1x4s n ASN 33 N -0.10 -0.84 -4.42 0.00 2.85 0.50 -4.85 115.26 108.40 1x4s n ASN 33 Ca 0.08 -0.85 -0.39 0.00 -0.11 0.00 0.00 54.58 53.32 1x4s n ASN 33 Cb 0.92 -1.03 -0.12 0.00 1.24 0.00 0.00 39.78 40.79 1x4s n ASN 33 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1x4s s ALA 34 N -3.97 3.25 -0.24 5.20 0.00 -1.18 -4.73 121.76 120.09 1x4s s ALA 34 Ca 0.15 -1.44 -0.29 0.00 0.00 0.00 0.00 51.96 50.38 1x4s s ALA 34 Cb -0.08 -2.38 -0.02 0.00 0.00 0.00 0.00 23.12 20.63 1x4s s ALA 34 CO 0.65 -0.97 1.62 -1.25 0.00 0.00 0.00 175.76 175.81 1x4s s PRO 35 N 1.59 3.73 0.01 0.00 0.04 -1.26 0.07 135.00 139.18 1x4s s PRO 35 Ca 0.04 1.59 0.09 0.00 0.04 0.00 0.00 61.00 62.76 1x4s s PRO 35 Cb -0.17 -4.05 -0.02 0.00 0.04 0.00 0.00 34.50 30.29 1x4s s PRO 35 CO 0.06 -1.38 -0.26 1.52 0.04 0.00 0.00 177.00 176.98 1x4s s TYR 36 N 5.41 2.34 0.04 0.56 -0.85 -1.15 -3.66 117.35 120.04 1x4s s TYR 36 Ca 0.72 -0.42 -0.22 0.00 -0.52 0.00 0.00 57.07 56.63 1x4s s TYR 36 Cb -0.24 -1.45 -0.14 0.00 0.38 0.00 0.00 41.96 40.51 1x4s s TYR 36 CO 0.30 0.05 1.46 0.00 -1.52 0.00 0.00 175.55 175.85 1x4s s SER 38 N -5.69 0.12 0.45 0.00 1.04 -1.26 -4.59 113.70 103.77 1x4s s SER 38 Ca -0.14 -1.08 0.29 0.00 0.48 0.00 0.00 55.95 55.50 1x4s s SER 38 Cb 0.05 0.40 1.38 0.00 0.10 0.00 0.00 66.02 67.95 1x4s s SER 38 CO 0.70 -0.87 1.69 -0.07 0.98 0.00 0.00 173.24 175.67 1x4s h LEU 39 N 2.62 0.24 -0.01 2.42 -0.00 -1.98 -1.13 115.31 117.47 1x4s h LEU 39 Ca -0.33 0.09 0.01 0.00 -0.00 0.00 0.00 57.88 57.65 1x4s h LEU 39 Cb 1.23 0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 41.92 1x4s h LEU 39 CO 0.51 -0.06 -0.31 0.03 -0.00 0.00 0.00 178.44 178.60 1x4s h ARG 40 N 0.15 -0.37 -0.12 1.13 3.08 -1.99 -0.82 114.38 115.44 1x4s h ARG 40 Ca 0.73 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.78 1x4s h ARG 40 Cb 2.32 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 32.45 1x4s h ARG 40 CO -0.29 -0.25 -0.03 0.00 -1.07 0.00 0.00 179.97 178.34 1x4s h TYR 42 N 0.16 0.00 0.04 0.00 3.20 -0.60 0.24 116.97 120.02 1x4s h TYR 42 Ca 0.04 0.00 -0.33 0.00 3.14 0.00 0.00 58.73 61.58 1x4s h TYR 42 Cb 0.16 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 1x4s h TYR 42 CO 0.00 0.01 -1.94 0.54 -1.64 0.00 0.00 178.16 175.14 1x4s n ARG 43 N -4.32 0.68 0.11 1.82 1.74 -0.42 -4.24 116.66 112.04 1x4s n ARG 43 Ca -0.03 0.24 -0.11 0.00 -0.77 0.00 0.00 57.85 57.18 1x4s n ARG 43 Cb 0.10 -1.71 -0.07 0.00 -1.02 0.00 0.00 32.46 29.76 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 0.64 -0.87 0.55 2.02 -0.81 -3.31 112.91 111.15 1x4s h THR 44 Ca -0.38 -0.90 0.13 0.00 0.77 0.00 0.00 66.41 66.02 1x4s h THR 44 Cb 2.04 1.03 -0.14 0.00 -1.74 0.00 0.00 68.15 69.35 1x4s h THR 44 CO 0.06 0.15 -0.36 0.00 0.37 0.00 0.00 175.52 175.75 1x4s n HIS 45 N -5.01 -0.01 -3.74 3.16 1.44 0.80 -4.76 115.22 107.09 1x4s n HIS 45 Ca -0.08 1.07 -0.08 0.00 -2.01 0.00 0.00 57.72 56.62 1x4s n HIS 45 Cb 0.26 -0.80 -0.00 0.00 0.12 0.00 0.00 29.99 29.56 1x4s n HIS 45 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1x4s n GLY 46 N -1.39 1.93 0.86 -1.39 0.00 -1.25 -5.04 105.19 98.91 1x4s n GLY 46 Ca 0.08 -1.38 0.08 0.00 0.00 0.00 0.00 46.02 44.80 1x4s n GLY 46 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1x4s n THR 47 N -0.38 1.93 -0.03 2.61 5.66 -1.26 -4.48 114.28 118.34 1x4s n THR 47 Ca -0.02 -1.61 0.23 0.00 -3.05 0.00 0.00 64.05 59.59 1x4s n THR 47 Cb 0.40 -0.04 0.72 0.00 -1.55 0.00 0.00 70.33 69.86 1x4s n THR 47 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x4s h ALA 49 N 1.59 -0.86 -1.59 0.00 0.00 -1.87 -1.82 119.26 114.72 1x4s h ALA 49 Ca 0.29 -0.16 0.47 0.00 0.00 0.00 0.00 54.91 55.51 1x4s h ALA 49 Cb 1.26 0.29 -0.07 0.00 0.00 0.00 0.00 17.79 19.27 1x4s h ALA 49 CO -0.00 -0.81 1.13 0.39 0.00 0.00 0.00 179.25 179.96 1x4s n GLU 50 N -4.75 -0.00 -2.75 0.00 -0.58 -0.89 0.70 120.64 112.36 1x4s n GLU 50 Ca -0.09 0.92 -0.19 0.00 -0.42 0.00 0.00 57.16 57.38 1x4s n GLU 50 Cb 0.29 -2.08 -0.00 0.00 -0.57 0.00 0.00 31.44 29.08 1x4s n GLU 50 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1x4s n ASN 51 N -3.70 2.86 -0.33 1.62 6.94 -1.15 -4.85 115.26 116.65 1x4s n ASN 51 Ca 0.37 -3.24 0.01 0.00 -0.02 0.00 0.00 54.58 51.69 1x4s n ASN 51 Cb 1.64 -0.53 0.04 0.00 -2.36 0.00 0.00 39.78 38.57 1x4s n ASN 51 CO 0.00 0.00 0.00 2.22 -1.03 0.00 0.00 177.26 178.45 1x4s n PHE 52 N -0.16 0.15 -3.71 -2.53 1.16 0.22 -4.44 117.46 108.15 1x4s n PHE 52 Ca 0.25 -0.06 -0.34 0.00 -1.87 0.00 0.00 57.45 55.43 1x4s n PHE 52 Cb 0.67 -0.05 -0.08 0.00 -1.61 0.00 0.00 39.48 38.40 1x4s n PHE 52 CO 0.00 0.00 0.00 1.52 -1.87 0.00 0.00 176.76 176.41 1x4s s TYR 53 N -1.64 3.81 0.31 2.97 1.13 -1.26 -5.07 117.35 117.60 1x4s s TYR 53 Ca 0.06 -3.12 -0.05 0.00 -1.41 0.00 0.00 57.07 52.54 1x4s s TYR 53 Cb 0.03 -3.10 -0.05 0.00 -1.10 0.00 0.00 41.96 37.75 1x4s s TYR 53 CO 0.03 -0.68 0.58 -1.54 -2.51 0.00 0.00 175.55 171.42 1x4s s SER 54 N -0.50 6.44 0.00 -0.18 1.04 -1.26 -4.87 113.70 114.37 1x4s s SER 54 Ca 0.27 0.74 0.00 0.00 0.48 0.00 0.00 55.95 57.44 1x4s s SER 54 Cb -0.07 -2.16 0.00 0.00 0.10 0.00 0.00 66.02 63.90 1x4s s SER 54 CO -0.14 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.47 1x4s n GLY 55 N -1.03 0.72 3.76 7.32 0.00 -1.26 -5.01 105.19 109.69 1x4s n GLY 55 Ca -0.01 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.44 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 2.10 -0.76 1.61 0.04 -1.26 -4.97 135.00 131.76 1x4s s PRO 56 Ca 0.00 1.12 -0.20 0.00 0.04 0.00 0.00 61.00 61.96 1x4s s PRO 56 Cb 0.00 -1.88 0.10 0.00 0.04 0.00 0.00 34.50 32.76 1x4s s PRO 56 CO 0.00 -1.74 0.97 0.45 0.04 0.00 0.00 177.00 176.72 1x4s s SER 57 N -3.39 6.37 -0.83 6.66 0.15 -1.26 -4.98 113.70 116.41 1x4s s SER 57 Ca 0.61 -1.53 -0.17 0.00 0.70 0.00 0.00 55.95 55.57 1x4s s SER 57 Cb -0.17 -2.38 0.16 0.00 -1.71 0.00 0.00 66.02 61.91 1x4s s SER 57 CO 0.56 -1.21 0.92 -0.94 1.20 0.00 0.00 173.24 173.77 1x4s s SER 58 N 3.61 6.60 0.00 5.45 1.04 -1.26 -5.26 113.70 123.88 1x4s s SER 58 Ca 0.24 -2.17 0.00 0.00 0.48 0.00 0.00 55.95 54.50 1x4s s SER 58 Cb -0.13 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.67 1x4s s SER 58 CO 0.01 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.95