#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 -0.38 -0.02 1.61 0.15 -1.26 -5.18 113.70 108.62 1x4s s SER 2 Ca 0.00 0.72 -0.29 0.00 0.70 0.00 0.00 55.95 57.08 1x4s s SER 2 Cb 0.00 0.77 0.10 0.00 -1.71 0.00 0.00 66.02 65.18 1x4s s SER 2 CO 0.00 -0.12 0.86 -0.94 1.20 0.00 0.00 173.24 174.24 1x4s s SER 3 N 0.29 -0.41 0.00 5.45 1.04 -1.26 -5.18 113.70 113.63 1x4s s SER 3 Ca 0.03 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.60 1x4s s SER 3 Cb -0.05 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1x4s s SER 3 CO -0.09 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.14 1x4s n GLY 4 N 0.02 4.02 3.92 7.32 0.00 -1.26 -5.16 105.19 114.06 1x4s n GLY 4 Ca -0.11 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 6.40 0.61 1.61 0.15 -1.26 -5.09 113.70 116.11 1x4s s SER 5 Ca 0.00 0.45 -0.11 0.00 0.70 0.00 0.00 55.95 56.99 1x4s s SER 5 Cb 0.00 -2.03 -0.04 0.00 -1.71 0.00 0.00 66.02 62.24 1x4s s SER 5 CO 0.00 -0.07 1.03 -0.55 1.20 0.00 0.00 173.24 174.85 1x4s s SER 6 N -3.17 6.23 0.00 5.45 0.15 -1.26 -4.85 113.70 116.26 1x4s s SER 6 Ca 0.39 1.44 0.00 0.00 0.70 0.00 0.00 55.95 58.48 1x4s s SER 6 Cb -0.11 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1x4s s SER 6 CO 0.29 -0.87 0.00 0.61 1.20 0.00 0.00 173.24 174.48 1x4s n GLY 7 N -2.62 0.59 3.61 9.45 0.00 -1.26 -5.01 105.19 109.96 1x4s n GLY 7 Ca 0.06 -1.59 -0.49 0.00 0.00 0.00 0.00 46.02 44.00 1x4s n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x4s n MET 8 N 0.00 1.48 -4.15 1.61 0.00 -1.26 -4.96 117.12 109.84 1x4s n MET 8 Ca 0.00 0.53 -0.34 0.00 0.00 0.00 0.00 57.70 57.89 1x4s n MET 8 Cb 0.00 -2.18 -0.14 0.00 0.00 0.00 0.00 33.22 30.89 1x4s n MET 8 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1x4s s GLU 9 N 0.38 3.30 0.12 0.03 2.02 -1.26 -5.01 118.70 118.28 1x4s s GLU 9 Ca 0.80 -0.68 -0.31 0.00 0.02 0.00 0.00 54.97 54.80 1x4s s GLU 9 Cb -0.84 -2.84 -0.08 0.00 0.10 0.00 0.00 34.13 30.47 1x4s s GLU 9 CO 0.46 -0.11 1.36 -1.25 0.02 0.00 0.00 175.26 175.74 1x4s s PRO 10 N 1.18 4.34 1.27 0.39 0.04 -1.26 -5.01 135.00 135.96 1x4s s PRO 10 Ca 0.02 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 62.92 1x4s s PRO 10 Cb -0.14 -3.25 0.29 0.00 0.04 0.00 0.00 34.50 31.43 1x4s s PRO 10 CO -0.03 -0.40 0.74 0.00 0.04 0.00 0.00 177.00 177.35 1x4s n ALA 11 N 3.82 -3.76 -2.15 8.56 0.00 -1.26 -5.06 120.51 120.66 1x4s n ALA 11 Ca 0.11 -1.49 -0.10 0.00 0.00 0.00 0.00 53.44 51.96 1x4s n ALA 11 Cb 0.43 -1.66 -0.10 0.00 0.00 0.00 0.00 19.45 18.12 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 -2.50 0.83 -0.34 0.00 0.00 -1.01 -4.97 107.32 99.34 1x4s s GLY 12 Ca 0.63 -1.39 -0.29 0.00 0.00 0.00 0.00 44.72 43.67 1x4s s GLY 12 CO 0.59 -1.39 1.70 2.56 0.00 0.00 0.00 173.10 176.56 1x4s s PRO 13 N -3.95 3.42 -0.85 2.90 0.04 -1.26 0.21 135.00 135.51 1x4s s PRO 13 Ca 0.17 1.33 -0.25 0.00 0.04 0.00 0.00 61.00 62.28 1x4s s PRO 13 Cb 0.07 -4.15 -0.19 0.00 0.04 0.00 0.00 34.50 30.27 1x4s s PRO 13 CO -0.03 -1.75 2.26 0.00 0.04 0.00 0.00 177.00 177.53 1x4s n GLY 15 N 5.47 3.43 0.00 0.00 0.00 -1.25 -3.63 105.19 109.21 1x4s n GLY 15 Ca 0.56 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.70 0.00 -0.77 1.61 3.72 -1.26 -5.09 117.46 116.38 1x4s n PHE 16 Ca 0.19 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.27 1x4s n PHE 16 Cb 0.58 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 39.27 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 -4.23 4.43 -0.17 0.00 0.04 -1.26 -4.86 135.00 128.94 1x4s s PRO 18 Ca 0.64 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 63.45 1x4s s PRO 18 Cb -0.23 -3.16 -0.13 0.00 0.04 0.00 0.00 34.50 31.02 1x4s s PRO 18 CO 0.60 -0.14 0.89 0.00 0.04 0.00 0.00 177.00 178.39 1x4s n ALA 19 N 1.80 -1.72 0.00 8.56 0.00 -1.26 -0.23 120.51 127.65 1x4s n ALA 19 Ca 0.03 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1x4s n ALA 19 Cb 0.43 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 1.85 3.02 1.87 0.00 0.00 -1.26 -4.86 105.19 105.81 1x4s n GLY 20 Ca 0.17 -0.82 -0.12 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 1.66 -2.50 1.61 1.02 0.68 -4.91 120.64 118.20 1x4s n GLU 21 Ca 0.00 -1.10 -0.43 0.00 -0.02 0.00 0.00 57.16 55.61 1x4s n GLU 21 Cb 0.00 -1.55 -0.02 0.00 -0.02 0.00 0.00 31.44 29.85 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 -1.10 4.39 0.16 2.62 1.01 -1.26 -4.56 120.40 121.65 1x4s s VAL 22 Ca 0.30 1.66 0.10 0.00 0.00 0.00 0.00 61.98 64.05 1x4s s VAL 22 Cb 0.20 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1x4s s VAL 22 CO -0.03 -0.21 -0.21 -1.10 0.00 0.00 0.00 175.10 173.55 1x4s s GLN 23 N 3.51 1.63 -0.46 2.72 -0.21 -1.26 -4.97 119.66 120.62 1x4s s GLN 23 Ca 0.51 -1.39 -0.28 0.00 0.02 0.00 0.00 55.36 54.23 1x4s s GLN 23 Cb -0.19 -1.96 -0.02 0.00 1.00 0.00 0.00 33.01 31.85 1x4s s GLN 23 CO 0.13 0.43 1.77 -1.25 -2.12 0.00 0.00 175.29 174.25 1x4s s PRO 24 N -2.48 3.09 -0.67 2.91 0.04 -1.26 0.71 135.00 137.34 1x4s s PRO 24 Ca 0.20 1.02 -0.26 0.00 0.04 0.00 0.00 61.00 62.00 1x4s s PRO 24 Cb -0.09 -4.25 -0.04 0.00 0.04 0.00 0.00 34.50 30.16 1x4s s PRO 24 CO 0.10 -2.17 2.01 0.00 0.04 0.00 0.00 177.00 176.99 1x4s s ALA 25 N 7.55 1.86 0.04 8.56 0.00 0.56 -4.71 121.76 135.62 1x4s s ALA 25 Ca 0.72 -0.73 0.24 0.00 0.00 0.00 0.00 51.96 52.19 1x4s s ALA 25 Cb -0.17 -4.39 0.84 0.00 0.00 0.00 0.00 23.12 19.40 1x4s s ALA 25 CO 0.28 -4.34 1.79 0.00 0.00 0.00 0.00 175.76 173.49 1x4s h ARG 26 N 14.82 0.00 0.00 0.00 3.08 -1.79 -2.68 114.38 127.82 1x4s h ARG 26 Ca -0.16 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.61 1x4s h ARG 26 Cb 1.14 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.16 1x4s h ARG 26 CO 1.19 0.20 -0.13 0.66 -1.07 0.00 0.00 179.97 180.82 1x4s n TYR 27 N -3.30 -1.01 -3.64 3.04 4.01 -1.24 -4.85 117.16 110.18 1x4s n TYR 27 Ca 0.01 -1.11 -0.08 0.00 -0.16 0.00 0.00 57.90 56.56 1x4s n TYR 27 Cb 0.45 -0.21 -0.07 0.00 -0.31 0.00 0.00 39.34 39.20 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 -1.31 0.00 -0.13 -0.72 2.01 -1.26 -3.03 115.64 111.21 1x4s s THR 28 Ca 0.14 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.85 1x4s s THR 28 Cb -0.01 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.43 1x4s s THR 28 CO 0.09 0.00 2.13 0.00 -0.69 0.00 0.00 174.62 176.15 1x4s n PRO 30 N 8.31 0.49 -0.07 0.00 -0.04 -1.26 0.24 135.00 142.67 1x4s n PRO 30 Ca 0.26 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.64 1x4s n PRO 30 Cb 0.44 -1.18 -0.08 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.68 1.28 -0.19 0.54 5.12 -1.26 -4.72 116.66 116.76 1x4s n ARG 31 Ca 0.04 0.04 0.01 0.00 -1.93 0.00 0.00 57.85 56.01 1x4s n ARG 31 Cb 0.02 -1.31 0.02 0.00 -1.16 0.00 0.00 32.46 30.03 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 -0.26 -2.41 -4.36 0.00 5.03 0.65 -4.92 115.26 108.99 1x4s n ASN 33 Ca 0.02 -1.11 -0.37 0.00 0.87 0.00 0.00 54.58 54.00 1x4s n ASN 33 Cb 0.56 -2.67 -0.13 0.00 -1.02 0.00 0.00 39.78 36.52 1x4s n ASN 33 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1x4s s ALA 34 N -3.78 3.04 -0.22 5.41 0.00 -1.17 -4.76 121.76 120.29 1x4s s ALA 34 Ca 0.24 -1.35 -0.29 0.00 0.00 0.00 0.00 51.96 50.56 1x4s s ALA 34 Cb -0.11 -2.07 -0.03 0.00 0.00 0.00 0.00 23.12 20.92 1x4s s ALA 34 CO 0.91 -0.77 1.61 -1.25 0.00 0.00 0.00 175.76 176.26 1x4s s PRO 35 N 1.52 3.79 0.01 0.00 0.04 -1.26 0.06 135.00 139.16 1x4s s PRO 35 Ca 0.04 1.65 0.08 0.00 0.04 0.00 0.00 61.00 62.81 1x4s s PRO 35 Cb -0.16 -4.03 -0.02 0.00 0.04 0.00 0.00 34.50 30.32 1x4s s PRO 35 CO 0.02 -1.30 -0.26 1.52 0.04 0.00 0.00 177.00 177.02 1x4s s TYR 36 N 5.21 2.29 0.06 0.56 -0.85 -1.17 -3.85 117.35 119.60 1x4s s TYR 36 Ca 0.71 -0.42 -0.21 0.00 -0.52 0.00 0.00 57.07 56.63 1x4s s TYR 36 Cb -0.25 -1.43 -0.12 0.00 0.38 0.00 0.00 41.96 40.55 1x4s s TYR 36 CO 0.29 0.03 1.50 0.00 -1.52 0.00 0.00 175.55 175.85 1x4s s SER 38 N -5.77 0.83 0.33 0.00 0.01 -1.26 -4.57 113.70 103.28 1x4s s SER 38 Ca -0.14 -1.50 0.05 0.00 1.31 0.00 0.00 55.95 55.68 1x4s s SER 38 Cb 0.06 0.53 0.69 0.00 0.21 0.00 0.00 66.02 67.51 1x4s s SER 38 CO 0.72 -1.05 1.89 -0.07 0.41 0.00 0.00 173.24 175.13 1x4s h LEU 39 N 2.30 0.76 -1.27 2.44 -0.00 -1.98 -0.62 115.31 116.94 1x4s h LEU 39 Ca -0.29 0.03 0.21 0.00 -0.00 0.00 0.00 57.88 57.83 1x4s h LEU 39 Cb 1.24 -0.13 -0.09 0.00 -0.00 0.00 0.00 40.66 41.68 1x4s h LEU 39 CO 0.42 0.44 0.62 0.08 -0.00 0.00 0.00 178.44 180.00 1x4s h ARG 40 N 0.84 0.53 0.00 1.13 0.11 -2.00 0.68 114.38 115.67 1x4s h ARG 40 Ca 0.42 -0.03 -0.25 0.00 0.10 0.00 0.00 59.98 60.21 1x4s h ARG 40 Cb 0.48 -0.12 -0.04 0.00 1.11 0.00 0.00 29.97 31.40 1x4s h ARG 40 CO -0.18 0.35 -1.42 0.00 0.10 0.00 0.00 179.97 178.82 1x4s h TYR 42 N 0.00 0.00 0.03 0.00 3.20 0.07 0.16 116.97 120.44 1x4s h TYR 42 Ca -0.18 0.00 -0.35 0.00 3.14 0.00 0.00 58.73 61.34 1x4s h TYR 42 Cb 1.90 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 40.12 1x4s h TYR 42 CO 0.00 0.08 -2.09 0.54 -1.64 0.00 0.00 178.16 175.05 1x4s n ARG 43 N -4.05 0.68 0.10 1.82 1.74 -0.63 -4.34 116.66 111.99 1x4s n ARG 43 Ca -0.03 0.19 -0.11 0.00 -0.77 0.00 0.00 57.85 57.13 1x4s n ARG 43 Cb 0.16 -1.66 -0.08 0.00 -1.02 0.00 0.00 32.46 29.87 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 0.74 -0.82 0.55 2.02 -1.29 -3.30 112.91 110.84 1x4s h THR 44 Ca -0.44 -0.92 0.12 0.00 0.77 0.00 0.00 66.41 65.94 1x4s h THR 44 Cb 2.05 1.19 -0.13 0.00 -1.74 0.00 0.00 68.15 69.53 1x4s h THR 44 CO 0.04 0.17 -0.34 0.00 0.37 0.00 0.00 175.52 175.76 1x4s n HIS 45 N -5.00 -0.02 -3.81 3.16 1.44 0.54 -4.70 115.22 106.82 1x4s n HIS 45 Ca -0.08 1.01 -0.09 0.00 -2.01 0.00 0.00 57.72 56.55 1x4s n HIS 45 Cb 0.26 -0.78 -0.04 0.00 0.12 0.00 0.00 29.99 29.56 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 -3.42 0.03 -0.57 -1.39 0.00 -1.24 -5.04 107.32 95.68 1x4s s GLY 46 Ca -0.11 -0.37 -0.02 0.00 0.00 0.00 0.00 44.72 44.22 1x4s s GLY 46 CO 0.58 -0.30 2.03 -1.30 0.00 0.00 0.00 173.10 174.11 1x4s n THR 47 N -0.37 3.40 0.04 0.90 -2.24 -1.26 -4.51 114.28 110.23 1x4s n THR 47 Ca -0.07 -2.57 -0.07 0.00 -2.27 0.00 0.00 64.05 59.07 1x4s n THR 47 Cb 0.62 -1.21 0.11 0.00 -2.10 0.00 0.00 70.33 67.75 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 1.11 -0.46 -0.96 0.00 0.00 -1.88 -0.13 119.26 116.94 1x4s h ALA 49 Ca 0.01 -0.09 0.36 0.00 0.00 0.00 0.00 54.91 55.19 1x4s h ALA 49 Cb 1.03 0.23 -0.17 0.00 0.00 0.00 0.00 17.79 18.88 1x4s h ALA 49 CO 0.09 -0.77 0.37 -1.91 0.00 0.00 0.00 179.25 177.03 1x4s n GLU 50 N -5.31 -0.06 -0.06 0.00 2.13 -1.23 -0.76 120.64 115.34 1x4s n GLU 50 Ca -0.10 1.36 -0.09 0.00 0.66 0.00 0.00 57.16 59.00 1x4s n GLU 50 Cb 0.23 -2.35 -0.08 0.00 0.27 0.00 0.00 31.44 29.50 1x4s n GLU 50 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 1x4s h ASN 51 N 0.00 0.00 -0.54 4.31 -1.24 -1.58 -3.38 115.58 113.15 1x4s h ASN 51 Ca 0.75 -0.61 0.05 0.00 0.71 0.00 0.00 56.30 57.20 1x4s h ASN 51 Cb 1.87 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 40.84 1x4s h ASN 51 CO -0.79 0.81 -0.41 0.15 -1.29 0.00 0.00 177.43 175.90 1x4s h PHE 52 N -1.00 -1.29 -3.22 0.67 3.57 0.95 -3.40 116.94 113.23 1x4s h PHE 52 Ca -0.00 0.08 -0.57 0.00 3.53 0.00 0.00 57.97 61.00 1x4s h PHE 52 Cb 0.61 0.63 -0.04 0.00 2.79 0.00 0.00 35.95 39.94 1x4s h PHE 52 CO 0.17 -0.29 -0.20 1.52 -2.23 0.00 0.00 178.31 177.28 1x4s s TYR 53 N -4.80 3.54 -0.46 0.41 -0.85 -0.13 -5.06 117.35 110.00 1x4s s TYR 53 Ca -0.09 0.82 -0.17 0.00 -0.52 0.00 0.00 57.07 57.11 1x4s s TYR 53 Cb 0.07 -2.19 0.05 0.00 0.38 0.00 0.00 41.96 40.27 1x4s s TYR 53 CO 0.43 0.44 0.45 -1.12 -1.52 0.00 0.00 175.55 174.23 1x4s s SER 54 N -1.96 6.17 0.85 -0.18 0.01 -1.26 -4.64 113.70 112.69 1x4s s SER 54 Ca 0.38 -1.02 -0.08 0.00 1.31 0.00 0.00 55.95 56.54 1x4s s SER 54 Cb -0.13 -2.21 0.17 0.00 0.21 0.00 0.00 66.02 64.05 1x4s s SER 54 CO 0.20 -0.66 1.17 -0.83 0.41 0.00 0.00 173.24 173.52 1x4s s GLY 55 N 2.31 1.77 0.00 3.44 0.00 -1.26 -4.95 107.32 108.63 1x4s s GLY 55 Ca 0.09 -1.53 0.15 0.00 0.00 0.00 0.00 44.72 43.42 1x4s s GLY 55 CO 0.10 -0.84 1.42 -1.55 0.00 0.00 0.00 173.10 172.23 1x4s n PRO 56 N -3.32 0.13 -1.53 2.90 -0.04 -1.26 -4.79 135.00 127.09 1x4s n PRO 56 Ca 0.16 0.19 -0.51 0.00 -0.04 0.00 0.00 63.50 63.29 1x4s n PRO 56 Cb 0.60 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.49 1x4s n PRO 56 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x4s n SER 57 N -1.37 2.41 0.00 3.54 2.88 -1.26 -4.72 113.62 115.10 1x4s n SER 57 Ca 0.06 0.60 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 1x4s n SER 57 Cb 0.14 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.33 1x4s n SER 57 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x4s n SER 58 N 8.69 0.83 0.00 -3.46 3.41 -1.26 -5.19 113.62 116.64 1x4s n SER 58 Ca 0.36 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 1x4s n SER 58 Cb 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 1x4s n SER 58 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49