#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 1.69 -0.02 1.61 1.04 -1.26 -5.05 113.70 111.71 1x4s s SER 2 Ca 0.00 1.68 0.02 0.00 0.48 0.00 0.00 55.95 58.13 1x4s s SER 2 Cb 0.00 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.78 1x4s s SER 2 CO 0.00 -3.79 -0.08 -0.55 0.98 0.00 0.00 173.24 169.81 1x4s s SER 3 N -2.66 1.04 0.45 7.02 0.15 -1.26 -5.13 113.70 113.31 1x4s s SER 3 Ca 0.68 -0.16 -0.24 0.00 0.70 0.00 0.00 55.95 56.93 1x4s s SER 3 Cb -0.24 -0.26 -0.08 0.00 -1.71 0.00 0.00 66.02 63.74 1x4s s SER 3 CO 0.62 0.06 1.21 -0.83 1.20 0.00 0.00 173.24 175.50 1x4s s GLY 4 N 0.17 2.84 0.93 9.45 0.00 -1.26 -4.95 107.32 114.50 1x4s s GLY 4 Ca -0.02 1.04 -0.16 0.00 0.00 0.00 0.00 44.72 45.57 1x4s s GLY 4 CO 0.00 1.54 -0.74 1.44 0.00 0.00 0.00 173.10 175.34 1x4s n SER 5 N -0.32 -5.69 -4.58 1.64 7.64 -1.26 -4.85 113.62 106.21 1x4s n SER 5 Ca 0.06 0.20 -0.42 0.00 1.01 0.00 0.00 58.87 59.73 1x4s n SER 5 Cb 0.47 -0.74 -0.06 0.00 -1.01 0.00 0.00 64.21 62.87 1x4s n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x4s s SER 6 N -0.96 6.47 0.00 6.43 1.04 -1.26 -4.64 113.70 120.78 1x4s s SER 6 Ca 0.40 0.22 0.00 0.00 0.48 0.00 0.00 55.95 57.05 1x4s s SER 6 Cb -0.19 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1x4s s SER 6 CO 0.79 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.97 1x4s n GLY 7 N 4.61 -2.29 3.13 7.32 0.00 -1.26 -5.12 105.19 111.58 1x4s n GLY 7 Ca 0.00 0.74 -0.32 0.00 0.00 0.00 0.00 46.02 46.44 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 2.88 -0.17 1.61 1.00 -1.26 -5.12 119.30 118.24 1x4s s MET 8 Ca 0.00 -0.79 -0.08 0.00 0.00 0.00 0.00 55.69 54.81 1x4s s MET 8 Cb 0.00 -2.42 -0.05 0.00 0.00 0.00 0.00 34.83 32.37 1x4s s MET 8 CO 0.00 -0.12 0.12 -1.21 0.00 0.00 0.00 175.02 173.81 1x4s s GLU 9 N 1.10 3.87 1.16 2.03 2.02 -1.26 -5.02 118.70 122.60 1x4s s GLU 9 Ca -0.01 -0.21 -0.18 0.00 0.02 0.00 0.00 54.97 54.60 1x4s s GLU 9 Cb -0.14 -3.30 0.27 0.00 0.10 0.00 0.00 34.13 31.06 1x4s s GLU 9 CO -0.08 0.47 1.11 -1.25 0.02 0.00 0.00 175.26 175.53 1x4s s PRO 10 N -0.15 -0.91 1.00 0.39 0.04 -1.26 -5.05 135.00 129.05 1x4s s PRO 10 Ca 0.10 0.04 -0.16 0.00 0.04 0.00 0.00 61.00 61.02 1x4s s PRO 10 Cb -0.11 -1.62 0.20 0.00 0.04 0.00 0.00 34.50 33.00 1x4s s PRO 10 CO 0.00 -3.53 1.23 0.00 0.04 0.00 0.00 177.00 174.75 1x4s s ALA 11 N -3.00 1.82 0.01 8.56 0.00 -1.26 -5.10 121.76 122.79 1x4s s ALA 11 Ca 0.70 -0.98 -0.07 0.00 0.00 0.00 0.00 51.96 51.61 1x4s s ALA 11 Cb -0.11 -2.86 -0.00 0.00 0.00 0.00 0.00 23.12 20.14 1x4s s ALA 11 CO 0.56 -2.61 0.12 0.20 0.00 0.00 0.00 175.76 174.03 1x4s s GLY 12 N -4.49 0.08 -0.42 0.00 0.00 -1.05 -4.99 107.32 96.44 1x4s s GLY 12 Ca 0.71 -0.25 -0.28 0.00 0.00 0.00 0.00 44.72 44.89 1x4s s GLY 12 CO 0.53 -0.39 1.74 2.56 0.00 0.00 0.00 173.10 177.55 1x4s s PRO 13 N -1.70 3.18 -0.45 2.90 0.04 -1.26 0.19 135.00 137.90 1x4s s PRO 13 Ca -0.12 1.11 -0.36 0.00 0.04 0.00 0.00 61.00 61.67 1x4s s PRO 13 Cb -0.06 -4.22 -0.13 0.00 0.04 0.00 0.00 34.50 30.13 1x4s s PRO 13 CO -0.00 -2.05 2.25 0.00 0.04 0.00 0.00 177.00 177.24 1x4s h GLY 15 N 12.29 0.26 -0.88 0.00 0.00 -1.87 -3.33 103.07 109.54 1x4s h GLY 15 Ca -0.22 -0.65 0.41 0.00 0.00 0.00 0.00 47.33 46.87 1x4s h GLY 15 CO 1.08 0.57 0.98 0.74 0.00 0.00 0.00 176.54 179.91 1x4s h PHE 16 N 0.06 0.17 -4.22 5.60 0.04 -1.87 -3.41 116.94 113.31 1x4s h PHE 16 Ca -0.23 0.01 -0.53 0.00 2.80 0.00 0.00 57.97 60.02 1x4s h PHE 16 Cb 2.00 -0.05 0.18 0.00 2.20 0.00 0.00 35.95 40.29 1x4s h PHE 16 CO 0.06 -0.03 0.31 0.00 -0.60 0.00 0.00 178.31 178.05 1x4s s PRO 18 N -4.28 4.43 -0.13 0.00 0.04 -1.26 -4.88 135.00 128.92 1x4s s PRO 18 Ca 0.71 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 63.51 1x4s s PRO 18 Cb -0.27 -3.16 -0.13 0.00 0.04 0.00 0.00 34.50 30.97 1x4s s PRO 18 CO 0.52 -0.15 0.85 0.00 0.04 0.00 0.00 177.00 178.27 1x4s n ALA 19 N 1.90 -1.93 0.00 8.56 0.00 -1.26 -0.13 120.51 127.66 1x4s n ALA 19 Ca 0.03 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.85 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 1.67 2.97 1.96 0.00 0.00 -1.26 -4.86 105.19 105.66 1x4s n GLY 20 Ca 0.16 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 45.27 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 1.81 -2.61 1.61 1.02 0.81 -4.90 120.64 118.38 1x4s n GLU 21 Ca 0.00 -1.08 -0.43 0.00 -0.02 0.00 0.00 57.16 55.63 1x4s n GLU 21 Cb 0.00 -1.74 -0.02 0.00 -0.02 0.00 0.00 31.44 29.66 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 -0.26 4.56 0.15 2.62 1.01 -1.26 -4.53 120.40 122.70 1x4s s VAL 22 Ca 0.45 1.86 0.09 0.00 0.00 0.00 0.00 61.98 64.38 1x4s s VAL 22 Cb 0.25 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1x4s s VAL 22 CO -0.04 -0.27 -0.17 -1.10 0.00 0.00 0.00 175.10 173.52 1x4s s GLN 23 N 3.40 1.79 -0.65 2.72 -0.21 -1.26 -4.94 119.66 120.52 1x4s s GLN 23 Ca 0.46 -1.28 -0.26 0.00 0.02 0.00 0.00 55.36 54.30 1x4s s GLN 23 Cb -0.15 -2.06 -0.02 0.00 1.00 0.00 0.00 33.01 31.77 1x4s s GLN 23 CO 0.10 0.45 1.88 -1.25 -2.12 0.00 0.00 175.29 174.35 1x4s s PRO 24 N -2.44 2.61 -0.84 2.91 0.04 -1.26 0.88 135.00 136.89 1x4s s PRO 24 Ca 0.20 0.49 -0.26 0.00 0.04 0.00 0.00 61.00 61.48 1x4s s PRO 24 Cb -0.09 -4.48 -0.12 0.00 0.04 0.00 0.00 34.50 29.85 1x4s s PRO 24 CO 0.11 -2.83 2.26 0.00 0.04 0.00 0.00 177.00 176.59 1x4s s ALA 25 N 9.24 0.96 0.21 8.56 0.00 0.50 -4.73 121.76 136.50 1x4s s ALA 25 Ca 0.68 -1.05 0.27 0.00 0.00 0.00 0.00 51.96 51.86 1x4s s ALA 25 Cb -0.12 -4.58 1.17 0.00 0.00 0.00 0.00 23.12 19.59 1x4s s ALA 25 CO 0.18 -5.66 1.93 0.00 0.00 0.00 0.00 175.76 172.21 1x4s h ARG 26 N 12.20 0.00 -6.01 0.00 3.08 -1.79 -2.79 114.38 119.07 1x4s h ARG 26 Ca 0.03 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.53 1x4s h ARG 26 Cb 1.00 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.00 1x4s h ARG 26 CO 1.06 0.15 -0.37 0.71 -1.07 0.00 0.00 179.97 180.46 1x4s s TYR 27 N -3.79 2.20 -0.16 3.04 2.02 -1.24 -4.89 117.35 114.53 1x4s s TYR 27 Ca -0.00 -0.67 -0.24 0.00 -0.37 0.00 0.00 57.07 55.79 1x4s s TYR 27 Cb 0.11 -2.01 0.06 0.00 -0.40 0.00 0.00 41.96 39.71 1x4s s TYR 27 CO 0.60 -0.22 0.61 0.99 -1.57 0.00 0.00 175.55 175.96 1x4s s THR 28 N -2.63 0.01 -0.13 -0.71 2.01 -1.26 -2.39 115.64 110.53 1x4s s THR 28 Ca 0.40 -0.05 -0.29 0.00 0.31 0.00 0.00 61.69 62.07 1x4s s THR 28 Cb -0.01 -0.88 -0.06 0.00 0.01 0.00 0.00 72.50 71.56 1x4s s THR 28 CO 0.24 -0.03 1.96 0.00 -0.69 0.00 0.00 174.62 176.11 1x4s n PRO 30 N 8.04 0.49 -0.03 0.00 -0.04 -1.26 0.22 135.00 142.43 1x4s n PRO 30 Ca 0.23 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.66 1x4s n PRO 30 Cb 0.44 -1.29 -0.04 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.79 2.05 -0.42 0.54 1.74 -1.26 -4.75 116.66 113.76 1x4s n ARG 31 Ca 0.07 0.01 0.04 0.00 -0.77 0.00 0.00 57.85 57.21 1x4s n ARG 31 Cb 0.03 -1.13 0.07 0.00 -1.02 0.00 0.00 32.46 30.41 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 -0.57 -1.22 -4.38 0.00 2.85 0.61 -4.84 115.26 107.71 1x4s n ASN 33 Ca 0.08 -1.02 -0.38 0.00 -0.11 0.00 0.00 54.58 53.15 1x4s n ASN 33 Cb 0.71 -1.25 -0.12 0.00 1.24 0.00 0.00 39.78 40.36 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 3.13 -0.18 5.20 0.00 -1.20 -4.71 121.76 120.03 1x4s s ALA 34 Ca 0.20 -1.42 -0.29 0.00 0.00 0.00 0.00 51.96 50.44 1x4s s ALA 34 Cb -0.11 -2.21 -0.03 0.00 0.00 0.00 0.00 23.12 20.77 1x4s s ALA 34 CO 0.78 -0.90 1.59 -1.25 0.00 0.00 0.00 175.76 175.98 1x4s s PRO 35 N 1.54 3.91 -0.05 0.00 0.04 -1.26 0.14 135.00 139.32 1x4s s PRO 35 Ca 0.03 1.76 0.05 0.00 0.04 0.00 0.00 61.00 62.88 1x4s s PRO 35 Cb -0.17 -4.00 -0.01 0.00 0.04 0.00 0.00 34.50 30.37 1x4s s PRO 35 CO 0.04 -1.15 -0.20 1.52 0.04 0.00 0.00 177.00 177.25 1x4s s TYR 36 N 4.81 1.96 0.11 0.56 -0.85 -1.01 -4.49 117.35 118.44 1x4s s TYR 36 Ca 0.70 -0.57 -0.21 0.00 -0.52 0.00 0.00 57.07 56.47 1x4s s TYR 36 Cb -0.26 -1.31 -0.10 0.00 0.38 0.00 0.00 41.96 40.67 1x4s s TYR 36 CO 0.28 -0.18 1.76 0.00 -1.52 0.00 0.00 175.55 175.89 1x4s s SER 38 N -5.31 1.17 0.31 0.00 0.15 -1.26 -4.59 113.70 104.17 1x4s s SER 38 Ca -0.13 -1.58 0.04 0.00 0.70 0.00 0.00 55.95 54.98 1x4s s SER 38 Cb 0.08 0.66 0.66 0.00 -1.71 0.00 0.00 66.02 65.71 1x4s s SER 38 CO 0.68 -1.28 1.83 0.25 1.20 0.00 0.00 173.24 175.92 1x4s h LEU 39 N 2.08 0.83 -0.37 3.45 7.12 -1.98 -2.10 115.31 124.35 1x4s h LEU 39 Ca -0.27 0.05 0.04 0.00 0.13 0.00 0.00 57.88 57.83 1x4s h LEU 39 Cb 1.24 -0.11 -0.06 0.00 -0.53 0.00 0.00 40.66 41.20 1x4s h LEU 39 CO 0.38 0.41 -0.37 0.03 -0.13 0.00 0.00 178.44 178.76 1x4s h ARG 40 N 0.87 -0.19 -0.46 1.25 2.47 -1.99 -1.45 114.38 114.88 1x4s h ARG 40 Ca 0.50 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 59.22 1x4s h ARG 40 Cb 0.63 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.97 1x4s h ARG 40 CO -0.27 -0.12 0.24 0.00 0.56 0.00 0.00 179.97 180.38 1x4s h TYR 42 N 0.61 0.00 0.04 0.00 3.20 -0.61 1.09 116.97 121.30 1x4s h TYR 42 Ca 0.16 0.00 -0.33 0.00 3.14 0.00 0.00 58.73 61.70 1x4s h TYR 42 Cb 0.08 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 1x4s h TYR 42 CO -0.02 0.00 -1.95 0.54 -1.64 0.00 0.00 178.16 175.09 1x4s n ARG 43 N -3.70 0.68 0.05 1.82 1.74 -0.76 -4.13 116.66 112.34 1x4s n ARG 43 Ca 0.27 0.23 -0.12 0.00 -0.77 0.00 0.00 57.85 57.46 1x4s n ARG 43 Cb 1.45 -1.71 -0.08 0.00 -1.02 0.00 0.00 32.46 31.10 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 1.00 -0.81 0.55 2.02 0.13 -3.30 112.91 112.52 1x4s h THR 44 Ca -0.39 -1.11 0.13 0.00 0.77 0.00 0.00 66.41 65.82 1x4s h THR 44 Cb 2.04 1.62 -0.14 0.00 -1.74 0.00 0.00 68.15 69.94 1x4s h THR 44 CO 0.06 0.24 -0.35 1.12 0.37 0.00 0.00 175.52 176.96 1x4s h HIS 45 N -0.76 -0.97 -2.82 3.16 2.07 -0.58 -3.44 115.15 111.80 1x4s h HIS 45 Ca -0.02 0.09 0.05 0.00 -2.85 0.00 0.00 60.37 57.64 1x4s h HIS 45 Cb 0.53 0.55 -0.10 0.00 2.57 0.00 0.00 27.41 30.97 1x4s h HIS 45 CO 0.09 -0.39 0.29 0.20 -3.07 0.00 0.00 177.93 175.04 1x4s s GLY 46 N -3.38 -0.37 -0.60 6.13 0.00 -1.24 -5.04 107.32 102.82 1x4s s GLY 46 Ca -0.14 0.24 -0.01 0.00 0.00 0.00 0.00 44.72 44.80 1x4s s GLY 46 CO 0.71 0.08 2.02 -1.30 0.00 0.00 0.00 173.10 174.60 1x4s n THR 47 N -0.40 3.46 -0.08 0.90 -2.24 -1.26 -4.40 114.28 110.25 1x4s n THR 47 Ca -0.10 -2.64 -0.04 0.00 -2.27 0.00 0.00 64.05 59.00 1x4s n THR 47 Cb 0.62 -1.13 0.17 0.00 -2.10 0.00 0.00 70.33 67.90 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 1.27 2.22 -0.46 0.00 0.00 -1.88 -1.34 119.26 119.08 1x4s h ALA 49 Ca 0.13 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.19 1x4s h ALA 49 Cb 0.49 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 1x4s h ALA 49 CO 0.03 -0.68 -0.45 0.93 0.00 0.00 0.00 179.25 179.08 1x4s h GLU 50 N 0.38 -0.30 -2.13 0.00 4.39 -1.87 -1.50 114.58 113.55 1x4s h GLU 50 Ca 0.64 0.02 -0.72 0.00 0.34 0.00 0.00 59.36 59.63 1x4s h GLU 50 Cb 1.61 0.07 -0.24 0.00 -0.10 0.00 0.00 28.75 30.09 1x4s h GLU 50 CO -0.35 -0.20 1.07 0.09 -1.16 0.00 0.00 179.01 178.46 1x4s n ASN 51 N -5.41 7.34 0.05 1.42 5.03 -0.51 -4.35 115.26 118.85 1x4s n ASN 51 Ca -0.00 -3.61 0.00 0.00 0.87 0.00 0.00 54.58 51.84 1x4s n ASN 51 Cb 0.35 -1.16 0.00 0.00 -1.02 0.00 0.00 39.78 37.95 1x4s n ASN 51 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1x4s n PHE 52 N 0.10 -0.82 -0.32 3.10 7.35 -0.57 -4.85 117.46 121.44 1x4s n PHE 52 Ca 0.52 0.15 0.13 0.00 -0.76 0.00 0.00 57.45 57.49 1x4s n PHE 52 Cb 0.30 0.39 0.26 0.00 0.35 0.00 0.00 39.48 40.78 1x4s n PHE 52 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1x4s n TYR 53 N -3.01 0.57 -3.60 -5.13 4.01 -1.19 -4.79 117.16 104.02 1x4s n TYR 53 Ca 0.00 1.11 -0.23 0.00 -0.16 0.00 0.00 57.90 58.62 1x4s n TYR 53 Cb 0.08 -1.18 0.08 0.00 -0.31 0.00 0.00 39.34 38.00 1x4s n TYR 53 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1x4s n SER 54 N -5.36 -5.49 -4.46 7.72 2.88 -1.26 -5.00 113.62 102.64 1x4s n SER 54 Ca 0.21 -0.58 -0.26 0.00 -1.33 0.00 0.00 58.87 56.92 1x4s n SER 54 Cb 0.70 -4.94 -0.11 0.00 -0.75 0.00 0.00 64.21 59.11 1x4s n SER 54 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x4s s GLY 55 N -3.50 1.78 0.00 0.46 0.00 -1.26 -5.01 107.32 99.79 1x4s s GLY 55 Ca 0.49 -1.72 0.14 0.00 0.00 0.00 0.00 44.72 43.63 1x4s s GLY 55 CO 0.74 -1.78 1.27 -1.55 0.00 0.00 0.00 173.10 171.79 1x4s n PRO 56 N -0.15 0.49 0.05 2.90 -0.04 -1.26 -3.30 135.00 133.68 1x4s n PRO 56 Ca -0.09 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.27 1x4s n PRO 56 Cb 0.58 -1.46 -0.07 0.00 -0.04 0.00 0.00 33.50 32.51 1x4s n PRO 56 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1x4s h SER 57 N 0.00 -0.18 -1.51 3.54 0.02 -2.00 -3.45 113.55 109.96 1x4s h SER 57 Ca 0.00 -0.33 -0.56 0.00 -0.84 0.00 0.00 61.79 60.07 1x4s h SER 57 Cb 0.00 0.05 0.14 0.00 0.14 0.00 0.00 62.40 62.73 1x4s h SER 57 CO 0.00 0.39 -0.86 -0.24 -1.14 0.00 0.00 176.83 174.98 1x4s n SER 58 N -4.91 -2.60 0.00 3.07 2.88 -1.21 -5.24 113.62 105.62 1x4s n SER 58 Ca -0.07 0.72 0.00 0.00 -1.33 0.00 0.00 58.87 58.19 1x4s n SER 58 Cb 0.25 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 62.92 1x4s n SER 58 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42