#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 6.48 -0.85 1.61 1.04 -1.26 -4.92 113.70 115.80 1x4s s SER 2 Ca 0.00 2.70 -0.21 0.00 0.48 0.00 0.00 55.95 58.92 1x4s s SER 2 Cb 0.00 -2.58 0.09 0.00 0.10 0.00 0.00 66.02 63.64 1x4s s SER 2 CO 0.00 -0.94 1.13 -0.55 0.98 0.00 0.00 173.24 173.87 1x4s s SER 3 N 2.00 6.44 -1.51 7.02 0.15 -1.26 -4.46 113.70 122.08 1x4s s SER 3 Ca 0.76 -1.53 -0.02 0.00 0.70 0.00 0.00 55.95 55.85 1x4s s SER 3 Cb -0.45 -2.44 0.00 0.00 -1.71 0.00 0.00 66.02 61.42 1x4s s SER 3 CO 0.33 -1.30 0.10 0.61 1.20 0.00 0.00 173.24 174.19 1x4s n GLY 4 N 5.66 -0.18 3.56 9.45 0.00 -1.26 -4.83 105.19 117.59 1x4s n GLY 4 Ca 0.15 0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 1x4s n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4s s SER 5 N -4.33 6.41 0.02 1.61 0.01 -1.26 -4.94 113.70 111.22 1x4s s SER 5 Ca 0.03 -0.05 -0.29 0.00 1.31 0.00 0.00 55.95 56.96 1x4s s SER 5 Cb -0.02 -2.51 0.10 0.00 0.21 0.00 0.00 66.02 63.80 1x4s s SER 5 CO 0.98 -1.39 1.13 -0.55 0.41 0.00 0.00 173.24 173.83 1x4s s SER 6 N 2.90 -0.13 0.00 2.44 0.15 -1.26 -5.12 113.70 112.68 1x4s s SER 6 Ca 0.39 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.83 1x4s s SER 6 Cb -0.09 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 1x4s s SER 6 CO 0.23 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1x4s n GLY 7 N -0.42 0.04 3.66 9.45 0.00 -1.26 -5.03 105.19 111.63 1x4s n GLY 7 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 1x4s n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1x4s s MET 8 N -0.97 4.20 -0.14 1.61 1.75 -1.26 -5.01 119.30 119.47 1x4s s MET 8 Ca 0.00 1.80 -0.03 0.00 -1.25 0.00 0.00 55.69 56.21 1x4s s MET 8 Cb 0.00 -3.84 -0.03 0.00 2.84 0.00 0.00 34.83 33.81 1x4s s MET 8 CO 0.00 -0.77 -0.05 -1.21 -0.65 0.00 0.00 175.02 172.34 1x4s s GLU 9 N 3.70 3.57 1.10 4.11 2.02 -1.26 -5.11 118.70 126.82 1x4s s GLU 9 Ca 0.60 -0.53 -0.16 0.00 0.02 0.00 0.00 54.97 54.91 1x4s s GLU 9 Cb -0.25 -2.86 0.24 0.00 0.10 0.00 0.00 34.13 31.36 1x4s s GLU 9 CO 0.19 0.29 1.10 -1.25 0.02 0.00 0.00 175.26 175.61 1x4s s PRO 10 N 0.23 -0.43 1.01 0.39 0.04 -1.26 -5.04 135.00 129.94 1x4s s PRO 10 Ca -0.03 0.21 -0.17 0.00 0.04 0.00 0.00 61.00 61.05 1x4s s PRO 10 Cb -0.14 -1.66 0.25 0.00 0.04 0.00 0.00 34.50 32.99 1x4s s PRO 10 CO 0.03 -3.24 0.81 0.00 0.04 0.00 0.00 177.00 174.64 1x4s n ALA 11 N -4.48 -3.05 -2.39 8.56 0.00 -1.26 -5.07 120.51 112.82 1x4s n ALA 11 Ca 0.09 -1.26 -0.19 0.00 0.00 0.00 0.00 53.44 52.08 1x4s n ALA 11 Cb 0.58 -0.09 -0.10 0.00 0.00 0.00 0.00 19.45 19.84 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 -3.75 1.38 -0.22 0.00 0.00 -1.23 -4.96 107.32 98.54 1x4s s GLY 12 Ca 0.55 -1.57 -0.29 0.00 0.00 0.00 0.00 44.72 43.40 1x4s s GLY 12 CO 0.43 -1.65 1.61 2.56 0.00 0.00 0.00 173.10 176.05 1x4s s PRO 13 N -3.31 3.79 -0.96 2.90 0.04 -1.26 0.14 135.00 136.33 1x4s s PRO 13 Ca 0.19 1.65 -0.25 0.00 0.04 0.00 0.00 61.00 62.63 1x4s s PRO 13 Cb -0.03 -4.04 -0.24 0.00 0.04 0.00 0.00 34.50 30.24 1x4s s PRO 13 CO 0.06 -1.31 2.54 0.00 0.04 0.00 0.00 177.00 178.34 1x4s n GLY 15 N 6.22 2.75 0.00 0.00 0.00 -1.24 -3.38 105.19 109.55 1x4s n GLY 15 Ca 0.64 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 1.31 0.00 -1.01 1.61 3.72 -1.26 -5.08 117.46 116.74 1x4s n PHE 16 Ca 0.05 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.12 1x4s n PHE 16 Cb 0.51 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 39.19 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 4.43 -0.15 0.00 0.04 -1.26 -4.85 135.00 129.11 1x4s s PRO 18 Ca 0.71 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 63.50 1x4s s PRO 18 Cb -0.28 -3.16 -0.14 0.00 0.04 0.00 0.00 34.50 30.96 1x4s s PRO 18 CO 0.54 -0.15 0.88 0.00 0.04 0.00 0.00 177.00 178.31 1x4s n ALA 19 N 1.87 -1.90 0.00 8.56 0.00 -1.26 -0.12 120.51 127.67 1x4s n ALA 19 Ca 0.03 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1x4s n ALA 19 Cb 0.43 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 1.76 3.08 2.04 0.00 0.00 -1.26 -4.86 105.19 105.94 1x4s n GLY 20 Ca 0.17 -0.89 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 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 2.03 -2.20 1.61 -0.58 0.83 -4.94 120.64 117.38 1x4s n GLU 21 Ca 0.00 -1.96 -0.43 0.00 -0.42 0.00 0.00 57.16 54.35 1x4s n GLU 21 Cb 0.00 -1.79 -0.02 0.00 -0.57 0.00 0.00 31.44 29.06 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 -2.78 3.89 0.17 2.62 1.01 -1.26 -4.58 120.40 119.47 1x4s s VAL 22 Ca 0.40 1.06 0.10 0.00 0.00 0.00 0.00 61.98 63.54 1x4s s VAL 22 Cb 0.31 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 1x4s s VAL 22 CO -0.03 -0.15 -0.20 -1.10 0.00 0.00 0.00 175.10 173.62 1x4s s GLN 23 N 3.95 1.67 -0.29 2.72 -1.52 -1.26 -4.97 119.66 119.96 1x4s s GLN 23 Ca 0.65 -1.40 -0.29 0.00 -1.95 0.00 0.00 55.36 52.38 1x4s s GLN 23 Cb -0.27 -1.96 -0.02 0.00 -0.22 0.00 0.00 33.01 30.54 1x4s s GLN 23 CO 0.24 0.42 1.66 -1.25 -0.25 0.00 0.00 175.29 176.11 1x4s s PRO 24 N -2.57 3.58 -1.17 2.91 0.04 -1.26 0.63 135.00 137.16 1x4s s PRO 24 Ca 0.21 1.46 -0.21 0.00 0.04 0.00 0.00 61.00 62.50 1x4s s PRO 24 Cb -0.09 -4.10 -0.06 0.00 0.04 0.00 0.00 34.50 30.29 1x4s s PRO 24 CO 0.11 -1.56 1.90 0.00 0.04 0.00 0.00 177.00 177.49 1x4s n ALA 25 N 9.25 2.40 0.26 8.56 0.00 0.37 -4.55 120.51 136.80 1x4s n ALA 25 Ca 0.20 -3.23 0.16 0.00 0.00 0.00 0.00 53.44 50.57 1x4s n ALA 25 Cb 0.46 -3.52 0.86 0.00 0.00 0.00 0.00 19.45 17.25 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 9.00 0.00 0.00 0.00 2.47 -1.79 -3.26 114.38 120.80 1x4s h ARG 26 Ca 0.29 0.00 -0.51 0.00 -1.26 0.00 0.00 59.98 58.50 1x4s h ARG 26 Cb 0.89 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.11 1x4s h ARG 26 CO 1.37 0.00 -0.38 0.66 0.56 0.00 0.00 179.97 182.17 1x4s n TYR 27 N -2.65 0.75 -3.55 3.04 4.01 -1.23 -4.95 117.16 112.58 1x4s n TYR 27 Ca -0.02 -2.05 -0.15 0.00 -0.16 0.00 0.00 57.90 55.52 1x4s n TYR 27 Cb 0.11 -0.21 -0.06 0.00 -0.31 0.00 0.00 39.34 38.88 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 -2.55 0.00 -0.17 -0.72 2.01 -1.26 -2.80 115.64 110.14 1x4s s THR 28 Ca 0.04 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.75 1x4s s THR 28 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1x4s s THR 28 CO 0.03 0.00 1.69 0.00 -0.69 0.00 0.00 174.62 175.64 1x4s n PRO 30 N 7.62 0.49 -0.01 0.00 -0.04 -1.26 0.12 135.00 141.91 1x4s n PRO 30 Ca 0.19 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.64 1x4s n PRO 30 Cb 0.44 -1.13 -0.01 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.63 0.75 -0.90 0.54 1.74 -1.26 -4.79 116.66 112.10 1x4s n ARG 31 Ca 0.03 0.01 0.05 0.00 -0.77 0.00 0.00 57.85 57.17 1x4s n ARG 31 Cb 0.01 -1.05 0.11 0.00 -1.02 0.00 0.00 32.46 30.51 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 -0.40 -0.93 -4.41 0.00 4.13 0.32 -4.83 115.26 109.15 1x4s n ASN 33 Ca 0.12 -0.77 -0.42 0.00 1.68 0.00 0.00 54.58 55.19 1x4s n ASN 33 Cb 0.87 -0.94 -0.10 0.00 -1.54 0.00 0.00 39.78 38.06 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 -3.98 3.38 -0.37 5.41 0.00 -1.20 -4.70 121.76 120.29 1x4s s ALA 34 Ca 0.15 -1.76 -0.28 0.00 0.00 0.00 0.00 51.96 50.07 1x4s s ALA 34 Cb -0.08 -2.75 -0.01 0.00 0.00 0.00 0.00 23.12 20.28 1x4s s ALA 34 CO 0.59 -1.45 1.72 -1.25 0.00 0.00 0.00 175.76 175.37 1x4s s PRO 35 N 1.61 3.33 -0.04 0.00 0.04 -1.26 -0.11 135.00 138.56 1x4s s PRO 35 Ca 0.03 1.24 0.05 0.00 0.04 0.00 0.00 61.00 62.37 1x4s s PRO 35 Cb -0.19 -4.18 -0.02 0.00 0.04 0.00 0.00 34.50 30.15 1x4s s PRO 35 CO 0.08 -1.87 -0.17 1.52 0.04 0.00 0.00 177.00 176.60 1x4s s TYR 36 N 6.74 2.60 0.17 0.56 -0.85 -1.12 -3.62 117.35 121.84 1x4s s TYR 36 Ca 0.74 -0.23 -0.12 0.00 -0.52 0.00 0.00 57.07 56.94 1x4s s TYR 36 Cb -0.20 -1.59 0.07 0.00 0.38 0.00 0.00 41.96 40.62 1x4s s TYR 36 CO 0.32 0.13 1.70 0.00 -1.52 0.00 0.00 175.55 176.18 1x4s s SER 38 N -6.16 -0.10 0.51 0.00 1.04 -1.26 -4.50 113.70 103.23 1x4s s SER 38 Ca -0.13 -0.82 0.37 0.00 0.48 0.00 0.00 55.95 55.85 1x4s s SER 38 Cb 0.13 0.55 1.53 0.00 0.10 0.00 0.00 66.02 68.33 1x4s s SER 38 CO 0.80 -1.07 1.70 -0.07 0.98 0.00 0.00 173.24 175.58 1x4s h LEU 39 N 2.30 0.10 0.10 2.42 -0.00 -1.98 -1.18 115.31 117.07 1x4s h LEU 39 Ca -0.28 0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.64 1x4s h LEU 39 Cb 1.25 0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 41.91 1x4s h LEU 39 CO 0.38 -0.02 -0.25 0.03 -0.00 0.00 0.00 178.44 178.58 1x4s h ARG 40 N 0.06 -0.37 -0.11 1.13 2.47 -1.99 -1.85 114.38 113.73 1x4s h ARG 40 Ca 0.72 0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 59.44 1x4s h ARG 40 Cb 2.65 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 31.05 1x4s h ARG 40 CO -0.12 -0.25 -0.04 0.00 0.56 0.00 0.00 179.97 180.12 1x4s h TYR 42 N 0.16 0.00 0.03 0.00 3.20 -0.72 0.35 116.97 119.99 1x4s h TYR 42 Ca 0.04 0.00 -0.32 0.00 3.14 0.00 0.00 58.73 61.59 1x4s h TYR 42 Cb 0.18 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.41 1x4s h TYR 42 CO 0.00 0.00 -1.89 0.54 -1.64 0.00 0.00 178.16 175.17 1x4s n ARG 43 N -4.29 0.67 0.08 1.82 1.74 -0.68 -4.22 116.66 111.79 1x4s n ARG 43 Ca 0.03 0.25 -0.10 0.00 -0.77 0.00 0.00 57.85 57.26 1x4s n ARG 43 Cb 0.33 -1.73 -0.07 0.00 -1.02 0.00 0.00 32.46 29.97 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 0.63 -0.88 0.55 2.02 -0.81 -3.32 112.91 111.11 1x4s h THR 44 Ca -0.36 -0.99 0.13 0.00 0.77 0.00 0.00 66.41 65.96 1x4s h THR 44 Cb 2.04 1.05 -0.14 0.00 -1.74 0.00 0.00 68.15 69.36 1x4s h THR 44 CO 0.07 0.16 -0.36 0.00 0.37 0.00 0.00 175.52 175.76 1x4s n HIS 45 N -4.97 -0.01 -3.94 3.16 1.44 0.11 -4.73 115.22 106.27 1x4s n HIS 45 Ca -0.07 1.09 -0.09 0.00 -2.01 0.00 0.00 57.72 56.64 1x4s n HIS 45 Cb 0.25 -0.81 -0.03 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 -3.46 0.47 -0.12 -1.39 0.00 -1.25 -5.04 107.32 96.53 1x4s s GLY 46 Ca -0.12 -0.79 0.18 0.00 0.00 0.00 0.00 44.72 43.99 1x4s s GLY 46 CO 0.62 -0.49 1.64 -0.37 0.00 0.00 0.00 173.10 174.51 1x4s n THR 47 N -0.45 1.93 -0.28 0.90 5.66 -1.26 -4.45 114.28 116.32 1x4s n THR 47 Ca -0.03 -1.23 0.34 0.00 -3.05 0.00 0.00 64.05 60.07 1x4s n THR 47 Cb 0.61 0.09 0.66 0.00 -1.55 0.00 0.00 70.33 70.14 1x4s n THR 47 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x4s n ALA 49 N -2.54 3.73 0.24 0.00 0.00 -1.26 -3.73 120.51 116.95 1x4s n ALA 49 Ca 0.25 -0.52 0.11 0.00 0.00 0.00 0.00 53.44 53.28 1x4s n ALA 49 Cb 1.38 -1.10 -0.14 0.00 0.00 0.00 0.00 19.45 19.58 1x4s n ALA 49 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1x4s n GLU 50 N 0.69 0.50 0.00 0.00 0.28 0.13 -4.68 120.64 117.56 1x4s n GLU 50 Ca 0.10 -0.13 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 1x4s n GLU 50 Cb 0.61 -1.53 0.00 0.00 1.43 0.00 0.00 31.44 31.94 1x4s n GLU 50 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1x4s n ASN 51 N -2.10 2.18 -4.51 -1.84 4.13 -1.24 -5.01 115.26 106.85 1x4s n ASN 51 Ca -0.02 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.82 1x4s n ASN 51 Cb 0.51 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.69 1x4s n ASN 51 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1x4s n PHE 52 N -2.10 1.37 -3.82 3.10 7.35 -1.25 -4.83 117.46 117.27 1x4s n PHE 52 Ca 0.00 0.19 -0.04 0.00 -0.76 0.00 0.00 57.45 56.84 1x4s n PHE 52 Cb 0.29 -2.57 0.01 0.00 0.35 0.00 0.00 39.48 37.55 1x4s n PHE 52 CO 0.00 0.00 0.00 0.71 -0.76 0.00 0.00 176.76 176.71 1x4s s TYR 53 N 9.76 -0.00 -0.20 -5.13 2.02 -1.26 -4.91 117.35 117.62 1x4s s TYR 53 Ca 1.09 -0.41 -0.09 0.00 -0.37 0.00 0.00 57.07 57.29 1x4s s TYR 53 Cb -0.60 0.70 -0.05 0.00 -0.40 0.00 0.00 41.96 41.61 1x4s s TYR 53 CO 0.38 -0.99 0.12 -1.12 -1.57 0.00 0.00 175.55 172.36 1x4s s SER 54 N -3.17 6.03 -0.20 2.29 0.01 -1.26 -4.74 113.70 112.66 1x4s s SER 54 Ca 0.17 0.17 -0.04 0.00 1.31 0.00 0.00 55.95 57.56 1x4s s SER 54 Cb -0.03 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 64.15 1x4s s SER 54 CO 0.05 0.16 0.14 0.61 0.41 0.00 0.00 173.24 174.60 1x4s n GLY 55 N 3.66 -2.59 3.77 3.44 0.00 -1.26 -4.98 105.19 107.23 1x4s n GLY 55 Ca -0.16 0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.31 4.21 -0.03 1.61 0.04 -1.26 -4.96 135.00 133.30 1x4s s PRO 56 Ca 0.06 1.96 -0.01 0.00 0.04 0.00 0.00 61.00 63.05 1x4s s PRO 56 Cb -0.02 -2.86 -0.02 0.00 0.04 0.00 0.00 34.50 31.64 1x4s s PRO 56 CO 0.43 -0.22 -0.03 -1.13 0.04 0.00 0.00 177.00 176.09 1x4s n SER 57 N 0.43 2.35 -4.68 6.66 3.41 -1.26 -5.04 113.62 115.49 1x4s n SER 57 Ca 0.02 0.01 -0.44 0.00 -0.26 0.00 0.00 58.87 58.20 1x4s n SER 57 Cb 0.45 -0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.31 1x4s n SER 57 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x4s n SER 58 N -2.82 2.72 0.00 4.04 3.41 -1.26 -5.34 113.62 114.38 1x4s n SER 58 Ca -0.06 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 59.72 1x4s n SER 58 Cb 0.56 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.05 1x4s n SER 58 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49