#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 3.92 -0.04 1.61 0.15 -1.26 -5.14 113.70 112.94 1x4s s SER 2 Ca 0.00 -0.79 0.05 0.00 0.70 0.00 0.00 55.95 55.91 1x4s s SER 2 Cb 0.00 -0.51 -0.01 0.00 -1.71 0.00 0.00 66.02 63.79 1x4s s SER 2 CO 0.00 0.07 -0.19 -0.55 1.20 0.00 0.00 173.24 173.77 1x4s s SER 3 N -3.13 2.36 0.00 5.45 0.15 -1.26 -4.98 113.70 112.30 1x4s s SER 3 Ca 0.26 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.53 1x4s s SER 3 Cb -0.07 -0.54 0.00 0.00 -1.71 0.00 0.00 66.02 63.70 1x4s s SER 3 CO 0.15 0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.39 1x4s n GLY 4 N 2.95 0.48 3.99 9.45 0.00 -1.26 -5.14 105.19 115.66 1x4s n GLY 4 Ca -0.17 -0.69 -0.22 0.00 0.00 0.00 0.00 46.02 44.94 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 4.78 -0.02 1.61 0.15 -1.26 -5.13 113.70 113.84 1x4s s SER 5 Ca 0.00 -0.35 -0.30 0.00 0.70 0.00 0.00 55.95 56.00 1x4s s SER 5 Cb 0.00 -0.22 0.11 0.00 -1.71 0.00 0.00 66.02 64.20 1x4s s SER 5 CO 0.00 -1.53 1.15 -0.94 1.20 0.00 0.00 173.24 173.11 1x4s s SER 6 N -4.62 -0.14 0.00 5.45 1.04 -1.26 -5.18 113.70 108.99 1x4s s SER 6 Ca 0.63 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.91 1x4s s SER 6 Cb -0.07 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1x4s s SER 6 CO 0.41 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.78 1x4s n GLY 7 N -0.36 4.06 0.13 7.32 0.00 -1.26 -5.00 105.19 110.07 1x4s n GLY 7 Ca -0.06 -0.51 -0.08 0.00 0.00 0.00 0.00 46.02 45.37 1x4s n GLY 7 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1x4s h MET 8 N 0.00 0.19 -6.21 1.61 1.85 -2.02 -3.42 114.93 106.93 1x4s h MET 8 Ca 0.00 -0.01 -0.57 0.00 -0.61 0.00 0.00 59.70 58.50 1x4s h MET 8 Cb 0.00 -0.04 -0.04 0.00 0.43 0.00 0.00 31.60 31.95 1x4s h MET 8 CO 0.00 0.13 -0.24 -1.21 -0.40 0.00 0.00 176.91 175.18 1x4s s GLU 9 N -6.17 3.71 -0.35 0.39 2.02 -1.26 -5.03 118.70 112.00 1x4s s GLU 9 Ca -0.13 0.08 -0.28 0.00 0.02 0.00 0.00 54.97 54.66 1x4s s GLU 9 Cb 0.10 -2.85 -0.01 0.00 0.10 0.00 0.00 34.13 31.47 1x4s s GLU 9 CO 0.70 0.46 1.71 -1.25 0.02 0.00 0.00 175.26 176.90 1x4s s PRO 10 N -2.45 3.38 0.24 0.39 0.04 -1.26 -4.95 135.00 130.39 1x4s s PRO 10 Ca 0.40 1.30 -0.19 0.00 0.04 0.00 0.00 61.00 62.54 1x4s s PRO 10 Cb -0.12 -4.16 0.03 0.00 0.04 0.00 0.00 34.50 30.28 1x4s s PRO 10 CO 0.22 -1.80 0.63 0.00 0.04 0.00 0.00 177.00 176.08 1x4s s ALA 11 N 6.58 -1.09 0.14 8.56 0.00 -1.26 -4.95 121.76 129.74 1x4s s ALA 11 Ca 0.75 -0.25 0.06 0.00 0.00 0.00 0.00 51.96 52.52 1x4s s ALA 11 Cb -0.20 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 23.76 1x4s s ALA 11 CO 0.33 -0.93 -0.13 0.20 0.00 0.00 0.00 175.76 175.23 1x4s s GLY 12 N -2.90 1.12 -0.32 0.00 0.00 -1.19 -4.96 107.32 99.08 1x4s s GLY 12 Ca 0.11 -1.39 -0.29 0.00 0.00 0.00 0.00 44.72 43.15 1x4s s GLY 12 CO 0.02 -1.46 1.68 2.56 0.00 0.00 0.00 173.10 175.90 1x4s s PRO 13 N -3.04 3.49 -0.95 2.90 0.04 -1.26 0.15 135.00 136.34 1x4s s PRO 13 Ca 0.12 1.40 -0.29 0.00 0.04 0.00 0.00 61.00 62.27 1x4s s PRO 13 Cb -0.03 -4.13 -0.21 0.00 0.04 0.00 0.00 34.50 30.17 1x4s s PRO 13 CO 0.03 -1.66 2.62 0.00 0.04 0.00 0.00 177.00 178.03 1x4s n GLY 15 N 6.37 3.00 0.00 0.00 0.00 -1.25 -3.43 105.19 109.88 1x4s n GLY 15 Ca 0.63 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 1.69 0.00 -0.91 1.61 3.72 -1.26 -5.10 117.46 117.21 1x4s n PHE 16 Ca 0.23 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.30 1x4s n PHE 16 Cb 0.67 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 39.35 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 -4.20 4.36 -0.35 0.00 0.04 -1.26 -4.85 135.00 128.74 1x4s s PRO 18 Ca 0.69 2.04 -0.32 0.00 0.04 0.00 0.00 61.00 63.45 1x4s s PRO 18 Cb -0.26 -3.23 -0.14 0.00 0.04 0.00 0.00 34.50 30.91 1x4s s PRO 18 CO 0.56 -0.34 1.31 0.00 0.04 0.00 0.00 177.00 178.57 1x4s n ALA 19 N 3.34 -0.40 0.00 8.56 0.00 -1.26 -0.40 120.51 130.35 1x4s n ALA 19 Ca 0.09 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1x4s n ALA 19 Cb 0.43 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 4.03 3.22 2.25 0.00 0.00 -1.26 -4.92 105.19 108.51 1x4s n GLY 20 Ca 0.30 -1.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.00 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 2.27 -2.08 1.61 -0.58 0.46 -4.97 120.64 117.36 1x4s n GLU 21 Ca 0.00 -2.40 -0.42 0.00 -0.42 0.00 0.00 57.16 53.92 1x4s n GLU 21 Cb 0.00 -1.98 -0.03 0.00 -0.57 0.00 0.00 31.44 28.86 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 -3.25 3.38 0.20 2.62 1.01 -1.26 -4.64 120.40 118.46 1x4s s VAL 22 Ca 0.48 0.79 0.11 0.00 0.00 0.00 0.00 61.98 63.37 1x4s s VAL 22 Cb 0.37 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 1x4s s VAL 22 CO -0.10 -0.00 -0.22 -1.10 0.00 0.00 0.00 175.10 173.68 1x4s s GLN 23 N 2.51 1.48 -0.39 2.72 -0.21 -1.26 -5.00 119.66 119.52 1x4s s GLN 23 Ca 0.69 -1.52 -0.28 0.00 0.02 0.00 0.00 55.36 54.26 1x4s s GLN 23 Cb -0.36 -1.73 -0.01 0.00 1.00 0.00 0.00 33.01 31.91 1x4s s GLN 23 CO 0.29 0.37 1.72 -1.25 -2.12 0.00 0.00 175.29 174.30 1x4s s PRO 24 N -2.77 3.29 -1.21 2.91 0.04 -1.26 -0.52 135.00 135.48 1x4s s PRO 24 Ca 0.21 1.21 -0.18 0.00 0.04 0.00 0.00 61.00 62.28 1x4s s PRO 24 Cb -0.07 -4.19 -0.02 0.00 0.04 0.00 0.00 34.50 30.26 1x4s s PRO 24 CO 0.10 -1.91 2.01 0.00 0.04 0.00 0.00 177.00 177.24 1x4s n ALA 25 N 10.29 4.09 0.31 8.56 0.00 0.39 -4.54 120.51 139.61 1x4s n ALA 25 Ca 0.21 -3.62 0.17 0.00 0.00 0.00 0.00 53.44 50.20 1x4s n ALA 25 Cb 0.48 -3.57 0.98 0.00 0.00 0.00 0.00 19.45 17.33 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 7.27 0.00 -6.11 0.00 3.08 -1.77 -3.14 114.38 113.71 1x4s h ARG 26 Ca 0.46 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.99 1x4s h ARG 26 Cb 0.73 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.72 1x4s h ARG 26 CO 1.74 0.01 -0.48 0.71 -1.07 0.00 0.00 179.97 180.88 1x4s s TYR 27 N -4.47 2.75 -0.06 3.04 2.02 -1.24 -4.90 117.35 114.49 1x4s s TYR 27 Ca -0.05 -0.41 -0.19 0.00 -0.37 0.00 0.00 57.07 56.05 1x4s s TYR 27 Cb 0.14 -1.82 0.04 0.00 -0.40 0.00 0.00 41.96 39.92 1x4s s TYR 27 CO 0.52 0.19 0.44 0.99 -1.57 0.00 0.00 175.55 176.11 1x4s s THR 28 N -2.42 0.03 -0.01 -0.71 2.01 -1.26 -1.96 115.64 111.32 1x4s s THR 28 Ca 0.41 -0.26 -0.30 0.00 0.31 0.00 0.00 61.69 61.86 1x4s s THR 28 Cb -0.03 -0.72 -0.07 0.00 0.01 0.00 0.00 72.50 71.69 1x4s s THR 28 CO 0.25 -0.14 1.85 0.00 -0.69 0.00 0.00 174.62 175.89 1x4s n PRO 30 N 7.44 0.49 0.00 0.00 -0.04 -1.26 0.82 135.00 142.45 1x4s n PRO 30 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1x4s n PRO 30 Cb 0.42 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 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 -0.73 0.00 -0.48 0.54 1.74 -1.26 -4.79 116.66 111.68 1x4s n ARG 31 Ca 0.05 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.19 1x4s n ARG 31 Cb 0.02 -0.54 0.23 0.00 -1.02 0.00 0.00 32.46 31.15 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 -0.78 -0.87 -4.44 0.00 2.85 0.24 -4.83 115.26 107.44 1x4s n ASN 33 Ca 0.23 -0.82 -0.40 0.00 -0.11 0.00 0.00 54.58 53.48 1x4s n ASN 33 Cb 0.89 -1.00 -0.11 0.00 1.24 0.00 0.00 39.78 40.80 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 3.34 -0.28 5.20 0.00 -1.23 -4.68 121.76 120.14 1x4s s ALA 34 Ca 0.15 -1.51 -0.29 0.00 0.00 0.00 0.00 51.96 50.31 1x4s s ALA 34 Cb -0.08 -2.54 -0.02 0.00 0.00 0.00 0.00 23.12 20.48 1x4s s ALA 34 CO 0.63 -1.10 1.65 -1.25 0.00 0.00 0.00 175.76 175.69 1x4s s PRO 35 N 1.62 3.61 -0.05 0.00 0.04 -1.26 -0.46 135.00 138.51 1x4s s PRO 35 Ca 0.04 1.50 0.06 0.00 0.04 0.00 0.00 61.00 62.64 1x4s s PRO 35 Cb -0.18 -4.09 -0.01 0.00 0.04 0.00 0.00 34.50 30.26 1x4s s PRO 35 CO 0.08 -1.52 -0.24 1.52 0.04 0.00 0.00 177.00 176.88 1x4s s TYR 36 N 5.80 2.30 0.08 0.56 -0.85 -0.83 -3.80 117.35 120.60 1x4s s TYR 36 Ca 0.73 -0.63 -0.21 0.00 -0.52 0.00 0.00 57.07 56.44 1x4s s TYR 36 Cb -0.23 -1.50 -0.11 0.00 0.38 0.00 0.00 41.96 40.50 1x4s s TYR 36 CO 0.31 -0.17 1.62 0.00 -1.52 0.00 0.00 175.55 175.79 1x4s s SER 38 N -5.51 0.86 0.34 0.00 0.15 -1.26 -4.64 113.70 103.63 1x4s s SER 38 Ca -0.14 -1.50 0.08 0.00 0.70 0.00 0.00 55.95 55.09 1x4s s SER 38 Cb 0.06 0.53 0.79 0.00 -1.71 0.00 0.00 66.02 65.69 1x4s s SER 38 CO 0.69 -1.06 1.83 -0.07 1.20 0.00 0.00 173.24 175.83 1x4s h LEU 39 N 2.29 0.71 -0.59 3.45 -0.00 -1.98 -1.91 115.31 117.28 1x4s h LEU 39 Ca -0.29 0.06 0.10 0.00 -0.00 0.00 0.00 57.88 57.75 1x4s h LEU 39 Cb 1.24 -0.08 -0.11 0.00 -0.00 0.00 0.00 40.66 41.71 1x4s h LEU 39 CO 0.42 0.32 -0.36 0.08 -0.00 0.00 0.00 178.44 178.90 1x4s h ARG 40 N 0.73 -0.17 -0.36 1.13 0.11 -1.99 -0.17 114.38 113.65 1x4s h ARG 40 Ca 0.50 0.01 -0.16 0.00 0.10 0.00 0.00 59.98 60.44 1x4s h ARG 40 Cb 0.80 0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.92 1x4s h ARG 40 CO -0.26 -0.12 -0.40 0.00 0.10 0.00 0.00 179.97 179.30 1x4s h TYR 42 N 0.72 0.00 0.05 0.00 3.20 -0.42 0.54 116.97 121.05 1x4s h TYR 42 Ca 0.06 0.00 -0.33 0.00 3.14 0.00 0.00 58.73 61.60 1x4s h TYR 42 Cb 0.98 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.21 1x4s h TYR 42 CO 0.06 0.00 -1.87 0.54 -1.64 0.00 0.00 178.16 175.25 1x4s n ARG 43 N -4.05 0.68 0.11 1.82 1.74 -0.43 -4.22 116.66 112.31 1x4s n ARG 43 Ca 0.13 0.26 -0.07 0.00 -0.77 0.00 0.00 57.85 57.40 1x4s n ARG 43 Cb 0.78 -1.74 -0.04 0.00 -1.02 0.00 0.00 32.46 30.44 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 0.03 0.17 -0.74 0.55 2.02 -0.42 -3.31 112.91 111.21 1x4s h THR 44 Ca -0.36 -0.81 0.17 0.00 0.77 0.00 0.00 66.41 66.18 1x4s h THR 44 Cb 2.03 0.29 -0.14 0.00 -1.74 0.00 0.00 68.15 68.60 1x4s h THR 44 CO 0.08 0.05 -0.09 0.00 0.37 0.00 0.00 175.52 175.92 1x4s n HIS 45 N -5.01 0.36 -3.42 3.16 1.44 0.17 -4.74 115.22 107.18 1x4s n HIS 45 Ca -0.05 0.89 -0.02 0.00 -2.01 0.00 0.00 57.72 56.52 1x4s n HIS 45 Cb 0.18 -0.98 0.01 0.00 0.12 0.00 0.00 29.99 29.32 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 -1.42 1.39 2.27 -1.39 0.00 -1.25 -5.05 105.19 99.73 1x4s n GLY 46 Ca 0.14 -1.07 -0.28 0.00 0.00 0.00 0.00 46.02 44.81 1x4s n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x4s n THR 47 N -0.23 2.79 -0.24 2.61 -2.24 -1.26 -4.43 114.28 111.28 1x4s n THR 47 Ca -0.02 -4.16 -0.05 0.00 -2.27 0.00 0.00 64.05 57.54 1x4s n THR 47 Cb 0.22 -1.18 0.02 0.00 -2.10 0.00 0.00 70.33 67.29 1x4s n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x4s n ALA 49 N 0.83 1.95 -0.25 0.00 0.00 -1.26 -4.36 120.51 117.41 1x4s n ALA 49 Ca 0.10 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.78 1x4s n ALA 49 Cb 0.58 0.28 0.43 0.00 0.00 0.00 0.00 19.45 20.74 1x4s n ALA 49 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1x4s n GLU 50 N -2.01 -0.04 -0.10 0.00 2.13 -1.22 0.94 120.64 120.33 1x4s n GLU 50 Ca 0.00 0.95 -0.15 0.00 0.66 0.00 0.00 57.16 58.62 1x4s n GLU 50 Cb 0.47 -1.75 -0.14 0.00 0.27 0.00 0.00 31.44 30.29 1x4s n GLU 50 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1x4s n ASN 51 N -4.48 1.31 -4.55 4.31 4.13 -1.26 -4.71 115.26 110.01 1x4s n ASN 51 Ca 0.27 -0.01 -0.43 0.00 1.68 0.00 0.00 54.58 56.09 1x4s n ASN 51 Cb 0.96 -0.01 -0.01 0.00 -1.54 0.00 0.00 39.78 39.18 1x4s n ASN 51 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1x4s s PHE 52 N -2.52 2.90 -0.03 3.10 0.40 0.27 -4.58 117.98 117.52 1x4s s PHE 52 Ca -0.24 -1.60 -0.06 0.00 -0.60 0.00 0.00 56.93 54.44 1x4s s PHE 52 Cb 0.08 -4.64 -0.03 0.00 0.51 0.00 0.00 43.02 38.94 1x4s s PHE 52 CO 0.71 -1.73 -0.12 0.66 0.70 0.00 0.00 175.22 175.44 1x4s n TYR 53 N 7.83 0.00 -2.65 0.36 4.01 -1.24 -4.70 117.16 120.77 1x4s n TYR 53 Ca 0.43 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.75 1x4s n TYR 53 Cb 0.46 -0.22 -0.04 0.00 -0.31 0.00 0.00 39.34 39.23 1x4s n TYR 53 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1x4s s SER 54 N -5.93 7.36 -0.38 7.72 0.15 -1.26 -4.99 113.70 116.37 1x4s s SER 54 Ca -0.11 1.80 -0.01 0.00 0.70 0.00 0.00 55.95 58.33 1x4s s SER 54 Cb 0.03 -2.58 0.19 0.00 -1.71 0.00 0.00 66.02 61.94 1x4s s SER 54 CO 0.15 -0.23 0.88 -0.83 1.20 0.00 0.00 173.24 174.41 1x4s s GLY 55 N 0.59 -1.48 -0.12 9.45 0.00 -1.26 -5.13 107.32 109.37 1x4s s GLY 55 Ca 0.51 0.62 -0.29 0.00 0.00 0.00 0.00 44.72 45.56 1x4s s GLY 55 CO 0.29 4.02 1.54 2.56 0.00 0.00 0.00 173.10 181.51 1x4s s PRO 56 N 1.65 4.12 0.32 2.90 0.04 -1.26 -4.97 135.00 137.80 1x4s s PRO 56 Ca 0.18 1.94 -0.04 0.00 0.04 0.00 0.00 61.00 63.12 1x4s s PRO 56 Cb 0.02 -3.93 0.02 0.00 0.04 0.00 0.00 34.50 30.64 1x4s s PRO 56 CO -0.10 -0.89 0.49 0.43 0.04 0.00 0.00 177.00 176.96 1x4s n SER 57 N 7.24 -1.38 -4.99 6.66 7.64 -1.26 -5.18 113.62 122.36 1x4s n SER 57 Ca 0.17 -2.67 -0.19 0.00 1.01 0.00 0.00 58.87 57.18 1x4s n SER 57 Cb 0.44 2.50 0.02 0.00 -1.01 0.00 0.00 64.21 66.16 1x4s n SER 57 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x4s s SER 58 N -2.95 5.54 0.00 6.43 1.04 -1.26 -5.35 113.70 117.15 1x4s s SER 58 Ca 0.24 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1x4s s SER 58 Cb -0.01 -0.87 0.00 0.00 0.10 0.00 0.00 66.02 65.24 1x4s s SER 58 CO 0.18 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 174.12