#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 -0.71 -0.01 1.61 0.01 -1.26 -5.17 113.70 108.18 1x4s s SER 2 Ca 0.00 1.35 0.03 0.00 1.31 0.00 0.00 55.95 58.64 1x4s s SER 2 Cb 0.00 1.36 -0.03 0.00 0.21 0.00 0.00 66.02 67.56 1x4s s SER 2 CO 0.00 -0.25 -0.08 -0.94 0.41 0.00 0.00 173.24 172.38 1x4s s SER 3 N 0.30 4.52 -0.76 2.44 1.04 -1.26 -5.06 113.70 114.93 1x4s s SER 3 Ca 0.00 -0.15 -0.26 0.00 0.48 0.00 0.00 55.95 56.02 1x4s s SER 3 Cb -0.05 -1.04 0.01 0.00 0.10 0.00 0.00 66.02 65.04 1x4s s SER 3 CO 0.00 0.30 1.59 -0.83 0.98 0.00 0.00 173.24 175.28 1x4s s GLY 4 N -1.27 0.62 -0.75 7.32 0.00 -1.26 -4.94 107.32 107.03 1x4s s GLY 4 Ca 0.16 -1.28 -0.26 0.00 0.00 0.00 0.00 44.72 43.34 1x4s s GLY 4 CO 0.06 3.02 1.23 -0.56 0.00 0.00 0.00 173.10 176.85 1x4s s SER 5 N 5.94 6.20 -0.45 1.64 0.01 -1.26 -4.95 113.70 120.83 1x4s s SER 5 Ca 0.52 -0.68 0.03 0.00 1.31 0.00 0.00 55.95 57.13 1x4s s SER 5 Cb -0.08 -2.53 0.12 0.00 0.21 0.00 0.00 66.02 63.74 1x4s s SER 5 CO 0.11 -1.72 0.20 -0.55 0.41 0.00 0.00 173.24 171.70 1x4s s SER 6 N 3.83 4.19 -0.35 2.44 0.15 -1.26 -5.00 113.70 117.69 1x4s s SER 6 Ca 0.33 -2.65 -0.01 0.00 0.70 0.00 0.00 55.95 54.32 1x4s s SER 6 Cb -0.09 -1.41 0.19 0.00 -1.71 0.00 0.00 66.02 62.99 1x4s s SER 6 CO 0.11 -0.28 0.84 -0.83 1.20 0.00 0.00 173.24 174.28 1x4s s GLY 7 N 0.24 -1.35 -0.06 9.45 0.00 -1.26 -5.06 107.32 109.29 1x4s s GLY 7 Ca 0.16 0.93 -0.07 0.00 0.00 0.00 0.00 44.72 45.73 1x4s s GLY 7 CO -0.03 3.98 0.32 -0.33 0.00 0.00 0.00 173.10 177.03 1x4s h MET 8 N 6.49 -0.25 -6.32 2.90 2.86 -1.97 -3.47 114.93 115.17 1x4s h MET 8 Ca -0.01 0.02 -0.61 0.00 -2.06 0.00 0.00 59.70 57.04 1x4s h MET 8 Cb 1.20 0.06 -0.17 0.00 0.06 0.00 0.00 31.60 32.75 1x4s h MET 8 CO 0.01 -0.17 -0.79 -1.21 1.06 0.00 0.00 176.91 175.82 1x4s s GLU 9 N -2.38 1.53 -0.97 1.72 0.41 -1.26 -5.06 118.70 112.69 1x4s s GLU 9 Ca -0.04 -1.59 -0.24 0.00 -0.41 0.00 0.00 54.97 52.69 1x4s s GLU 9 Cb 0.00 -1.70 -0.06 0.00 -1.78 0.00 0.00 34.13 30.59 1x4s s GLU 9 CO 0.11 0.34 1.95 -1.25 -0.49 0.00 0.00 175.26 175.93 1x4s s PRO 10 N -3.03 2.53 -0.25 0.39 0.04 -1.26 -4.86 135.00 128.56 1x4s s PRO 10 Ca 0.23 -0.50 -0.26 0.00 0.04 0.00 0.00 61.00 60.51 1x4s s PRO 10 Cb -0.06 -5.11 0.10 0.00 0.04 0.00 0.00 34.50 29.47 1x4s s PRO 10 CO 0.11 -3.54 0.89 0.00 0.04 0.00 0.00 177.00 174.50 1x4s s ALA 11 N 10.37 -1.89 0.27 8.56 0.00 -1.26 -4.73 121.76 133.07 1x4s s ALA 11 Ca 0.70 1.87 0.05 0.00 0.00 0.00 0.00 51.96 54.58 1x4s s ALA 11 Cb -0.05 -1.19 -0.06 0.00 0.00 0.00 0.00 23.12 21.83 1x4s s ALA 11 CO 0.03 -0.29 -0.02 0.20 0.00 0.00 0.00 175.76 175.68 1x4s s GLY 12 N 0.07 1.76 -0.27 0.00 0.00 -1.17 -4.92 107.32 102.80 1x4s s GLY 12 Ca 0.01 -1.87 -0.29 0.00 0.00 0.00 0.00 44.72 42.56 1x4s s GLY 12 CO -0.02 -1.78 1.64 2.56 0.00 0.00 0.00 173.10 175.51 1x4s s PRO 13 N -3.80 3.65 -0.77 2.90 0.04 -1.26 0.81 135.00 136.56 1x4s s PRO 13 Ca 0.30 1.52 -0.26 0.00 0.04 0.00 0.00 61.00 62.60 1x4s s PRO 13 Cb 0.05 -4.08 -0.09 0.00 0.04 0.00 0.00 34.50 30.43 1x4s s PRO 13 CO 0.11 -1.48 2.19 0.00 0.04 0.00 0.00 177.00 177.87 1x4s h GLY 15 N 19.91 0.87 -1.72 0.00 0.00 -1.88 -3.07 103.07 117.18 1x4s h GLY 15 Ca -0.03 -0.84 0.54 0.00 0.00 0.00 0.00 47.33 47.00 1x4s h GLY 15 CO 1.12 0.76 1.24 0.74 0.00 0.00 0.00 176.54 180.40 1x4s h PHE 16 N 0.67 0.15 -4.22 5.60 0.04 -1.86 -3.40 116.94 113.92 1x4s h PHE 16 Ca 0.07 0.01 -0.52 0.00 2.80 0.00 0.00 57.97 60.32 1x4s h PHE 16 Cb 0.89 -0.04 0.14 0.00 2.20 0.00 0.00 35.95 39.14 1x4s h PHE 16 CO 0.05 -0.08 0.35 0.00 -0.60 0.00 0.00 178.31 178.03 1x4s s PRO 18 N -4.22 4.33 0.01 0.00 0.04 -1.26 -4.88 135.00 129.01 1x4s s PRO 18 Ca 0.69 2.03 -0.16 0.00 0.04 0.00 0.00 61.00 63.60 1x4s s PRO 18 Cb -0.24 -3.29 -0.08 0.00 0.04 0.00 0.00 34.50 30.93 1x4s s PRO 18 CO 0.47 -0.43 0.43 0.00 0.04 0.00 0.00 177.00 177.51 1x4s n ALA 19 N 4.08 -1.81 0.00 8.56 0.00 -1.26 -0.29 120.51 129.79 1x4s n ALA 19 Ca 0.11 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1x4s n ALA 19 Cb 0.43 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.15 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 0.64 2.82 2.38 0.00 0.00 -1.26 -4.86 105.19 104.92 1x4s n GLY 20 Ca 0.08 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 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 2.31 -2.50 1.61 -0.58 0.60 -4.93 120.64 117.15 1x4s n GLU 21 Ca 0.00 -2.06 -0.43 0.00 -0.42 0.00 0.00 57.16 54.25 1x4s n GLU 21 Cb 0.00 -2.11 -0.02 0.00 -0.57 0.00 0.00 31.44 28.74 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 -1.58 4.24 0.20 2.62 1.01 -1.26 -4.53 120.40 121.09 1x4s s VAL 22 Ca 0.60 1.38 0.07 0.00 0.00 0.00 0.00 61.98 64.04 1x4s s VAL 22 Cb 0.37 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1x4s s VAL 22 CO -0.18 -0.55 0.03 -1.10 0.00 0.00 0.00 175.10 173.31 1x4s s GLN 23 N 4.10 2.49 -0.33 2.72 -0.21 -1.26 -4.94 119.66 122.23 1x4s s GLN 23 Ca 0.53 -1.14 -0.29 0.00 0.02 0.00 0.00 55.36 54.48 1x4s s GLN 23 Cb -0.14 -2.37 -0.01 0.00 1.00 0.00 0.00 33.01 31.49 1x4s s GLN 23 CO 0.22 0.43 1.69 -1.25 -2.12 0.00 0.00 175.29 174.26 1x4s s PRO 24 N -3.21 3.46 -1.46 2.91 0.04 -1.26 -1.05 135.00 134.43 1x4s s PRO 24 Ca 0.29 1.36 -0.12 0.00 0.04 0.00 0.00 61.00 62.57 1x4s s PRO 24 Cb -0.09 -4.13 -0.03 0.00 0.04 0.00 0.00 34.50 30.29 1x4s s PRO 24 CO 0.20 -1.70 2.51 0.00 0.04 0.00 0.00 177.00 178.05 1x4s n ALA 25 N 9.67 6.21 0.10 8.56 0.00 0.24 -4.39 120.51 140.90 1x4s n ALA 25 Ca 0.21 -3.60 0.16 0.00 0.00 0.00 0.00 53.44 50.20 1x4s n ALA 25 Cb 0.47 -3.45 0.67 0.00 0.00 0.00 0.00 19.45 17.14 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 5.71 0.00 -6.72 0.00 3.08 -1.79 -3.09 114.38 111.57 1x4s h ARG 26 Ca 0.68 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 60.24 1x4s h ARG 26 Cb 0.47 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.55 1x4s h ARG 26 CO 1.83 0.00 -0.05 0.71 -1.07 0.00 0.00 179.97 181.38 1x4s s TYR 27 N -5.03 1.25 -0.28 3.04 2.02 -1.23 -4.69 117.35 112.43 1x4s s TYR 27 Ca -0.05 -0.72 -0.20 0.00 -0.37 0.00 0.00 57.07 55.74 1x4s s TYR 27 Cb 0.19 -2.28 0.10 0.00 -0.40 0.00 0.00 41.96 39.57 1x4s s TYR 27 CO 0.71 -1.32 0.84 0.99 -1.57 0.00 0.00 175.55 175.20 1x4s s THR 28 N -2.76 0.00 -0.21 -0.71 2.01 -1.26 -2.86 115.64 109.86 1x4s s THR 28 Ca 0.63 0.00 -0.31 0.00 0.31 0.00 0.00 61.69 62.32 1x4s s THR 28 Cb -0.05 -1.00 -0.08 0.00 0.01 0.00 0.00 72.50 71.38 1x4s s THR 28 CO 0.40 0.00 2.15 0.00 -0.69 0.00 0.00 174.62 176.48 1x4s n PRO 30 N 8.22 0.49 -0.05 0.00 -0.04 -1.26 0.19 135.00 142.55 1x4s n PRO 30 Ca 0.31 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.71 1x4s n PRO 30 Cb 0.37 -1.09 -0.06 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.59 1.52 -0.31 0.54 1.74 -1.26 -4.74 116.66 113.56 1x4s n ARG 31 Ca 0.02 0.03 0.02 0.00 -0.77 0.00 0.00 57.85 57.15 1x4s n ARG 31 Cb 0.01 -1.22 0.03 0.00 -1.02 0.00 0.00 32.46 30.26 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 -0.38 -1.99 -4.37 0.00 0.23 0.51 -4.91 115.26 104.34 1x4s n ASN 33 Ca 0.04 -1.20 -0.38 0.00 -0.53 0.00 0.00 54.58 52.50 1x4s n ASN 33 Cb 0.64 -2.13 -0.12 0.00 -2.08 0.00 0.00 39.78 36.09 1x4s n ASN 33 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1x4s s ALA 34 N -3.87 3.17 -0.34 -2.53 0.00 -1.17 -4.76 121.76 112.26 1x4s s ALA 34 Ca 0.25 -1.54 -0.29 0.00 0.00 0.00 0.00 51.96 50.38 1x4s s ALA 34 Cb -0.12 -2.34 -0.01 0.00 0.00 0.00 0.00 23.12 20.65 1x4s s ALA 34 CO 0.95 -1.08 1.69 -1.25 0.00 0.00 0.00 175.76 176.07 1x4s s PRO 35 N 1.53 3.43 0.12 0.00 0.04 -1.26 -0.07 135.00 138.79 1x4s s PRO 35 Ca 0.02 1.32 0.10 0.00 0.04 0.00 0.00 61.00 62.49 1x4s s PRO 35 Cb -0.18 -4.14 -0.04 0.00 0.04 0.00 0.00 34.50 30.18 1x4s s PRO 35 CO 0.05 -1.75 -0.25 1.52 0.04 0.00 0.00 177.00 176.61 1x4s s TYR 36 N 6.41 2.36 -0.03 0.56 -0.85 -1.13 -4.53 117.35 120.15 1x4s s TYR 36 Ca 0.75 -0.35 -0.24 0.00 -0.52 0.00 0.00 57.07 56.70 1x4s s TYR 36 Cb -0.20 -1.28 -0.21 0.00 0.38 0.00 0.00 41.96 40.65 1x4s s TYR 36 CO 0.33 0.34 1.16 0.00 -1.52 0.00 0.00 175.55 175.86 1x4s s SER 38 N -6.07 0.07 0.47 0.00 1.04 -1.26 -4.65 113.70 103.30 1x4s s SER 38 Ca -0.16 -1.02 0.32 0.00 0.48 0.00 0.00 55.95 55.57 1x4s s SER 38 Cb 0.02 0.44 1.43 0.00 0.10 0.00 0.00 66.02 68.00 1x4s s SER 38 CO 0.72 -0.91 1.68 -0.07 0.98 0.00 0.00 173.24 175.64 1x4s h LEU 39 N 2.54 0.20 -0.57 2.42 3.38 -1.98 0.70 115.31 122.00 1x4s h LEU 39 Ca -0.32 0.08 0.11 0.00 0.09 0.00 0.00 57.88 57.84 1x4s h LEU 39 Cb 1.23 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 41.93 1x4s h LEU 39 CO 0.48 -0.06 -0.27 0.03 0.09 0.00 0.00 178.44 178.71 1x4s h ARG 40 N 0.12 -0.12 0.00 1.13 2.47 -2.00 0.24 114.38 116.22 1x4s h ARG 40 Ca 0.74 0.01 -0.07 0.00 -1.26 0.00 0.00 59.98 59.39 1x4s h ARG 40 Cb 2.46 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 30.80 1x4s h ARG 40 CO -0.25 -0.08 -0.35 0.00 0.56 0.00 0.00 179.97 179.84 1x4s h TYR 42 N 0.00 0.00 0.01 0.00 3.20 -0.20 0.42 116.97 120.40 1x4s h TYR 42 Ca -0.00 0.00 -0.36 0.00 3.14 0.00 0.00 58.73 61.51 1x4s h TYR 42 Cb 1.02 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 39.23 1x4s h TYR 42 CO 0.00 0.05 -2.23 0.54 -1.64 0.00 0.00 178.16 174.88 1x4s n ARG 43 N -3.64 0.68 -0.01 1.82 1.74 -0.76 -4.36 116.66 112.13 1x4s n ARG 43 Ca -0.02 0.12 -0.07 0.00 -0.77 0.00 0.00 57.85 57.10 1x4s n ARG 43 Cb 0.15 -1.60 -0.06 0.00 -1.02 0.00 0.00 32.46 29.93 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 0.01 0.72 -0.82 0.55 2.02 -1.25 -3.34 112.91 110.80 1x4s h THR 44 Ca -0.49 -1.36 0.17 0.00 0.77 0.00 0.00 66.41 65.50 1x4s h THR 44 Cb 2.10 1.30 -0.16 0.00 -1.74 0.00 0.00 68.15 69.65 1x4s h THR 44 CO 0.02 0.22 -0.20 0.00 0.37 0.00 0.00 175.52 175.94 1x4s n HIS 45 N -4.80 0.30 -3.81 3.16 1.44 0.14 -4.73 115.22 106.92 1x4s n HIS 45 Ca -0.05 1.00 -0.08 0.00 -2.01 0.00 0.00 57.72 56.57 1x4s n HIS 45 Cb 0.22 -0.98 0.02 0.00 0.12 0.00 0.00 29.99 29.38 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 -4.21 0.36 -0.47 -1.39 0.00 -1.25 -5.05 107.32 95.30 1x4s s GLY 46 Ca -0.12 -0.73 0.03 0.00 0.00 0.00 0.00 44.72 43.89 1x4s s GLY 46 CO 0.64 -0.14 1.66 -1.30 0.00 0.00 0.00 173.10 173.95 1x4s n THR 47 N -0.54 3.08 0.08 0.90 -2.24 -1.26 -4.45 114.28 109.85 1x4s n THR 47 Ca -0.08 -3.31 -0.10 0.00 -2.27 0.00 0.00 64.05 58.28 1x4s n THR 47 Cb 0.60 -1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 67.79 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 0.89 1.66 -0.29 0.00 0.00 -1.83 0.71 119.26 120.40 1x4s h ALA 49 Ca -0.06 0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1x4s h ALA 49 Cb 1.57 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 19.38 1x4s h ALA 49 CO 0.15 -0.36 0.19 0.39 0.00 0.00 0.00 179.25 179.61 1x4s n GLU 50 N -4.99 1.37 0.00 0.00 4.71 -1.23 -3.62 120.64 116.88 1x4s n GLU 50 Ca 0.26 -0.88 0.00 0.00 -0.01 0.00 0.00 57.16 56.53 1x4s n GLU 50 Cb 0.75 -1.35 0.00 0.00 -1.01 0.00 0.00 31.44 29.83 1x4s n GLU 50 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1x4s n ASN 51 N 0.02 2.20 -4.59 1.62 5.15 0.24 -5.03 115.26 114.88 1x4s n ASN 51 Ca 0.17 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.76 1x4s n ASN 51 Cb 0.84 0.07 -0.09 0.00 -0.53 0.00 0.00 39.78 40.07 1x4s n ASN 51 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1x4s s PHE 52 N -1.52 3.23 -0.41 1.20 5.36 -1.03 -5.05 117.98 119.77 1x4s s PHE 52 Ca 0.00 0.28 -0.16 0.00 -0.96 0.00 0.00 56.93 56.09 1x4s s PHE 52 Cb 0.00 -2.62 0.02 0.00 -0.34 0.00 0.00 43.02 40.08 1x4s s PHE 52 CO 0.00 -0.30 0.34 0.71 -1.46 0.00 0.00 175.22 174.52 1x4s s TYR 53 N 2.08 3.22 0.23 10.12 2.02 -1.26 -4.95 117.35 128.80 1x4s s TYR 53 Ca 0.14 -0.48 -0.07 0.00 -0.37 0.00 0.00 57.07 56.29 1x4s s TYR 53 Cb -0.16 -2.69 -0.06 0.00 -0.40 0.00 0.00 41.96 38.65 1x4s s TYR 53 CO 0.11 -0.61 0.50 -1.54 -1.57 0.00 0.00 175.55 172.44 1x4s s SER 54 N 1.73 6.53 -0.15 2.29 1.04 -1.26 -4.75 113.70 119.12 1x4s s SER 54 Ca 0.08 0.76 -0.04 0.00 0.48 0.00 0.00 55.95 57.22 1x4s s SER 54 Cb -0.18 -2.16 0.02 0.00 0.10 0.00 0.00 66.02 63.79 1x4s s SER 54 CO 0.11 -0.08 0.09 0.61 0.98 0.00 0.00 173.24 174.95 1x4s n GLY 55 N -0.36 -3.04 3.77 7.32 0.00 -1.26 -4.92 105.19 106.71 1x4s n GLY 55 Ca -0.01 0.76 -0.37 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.87 3.79 -0.02 1.61 0.04 -1.26 -5.06 135.00 133.24 1x4s s PRO 56 Ca -0.10 1.78 0.02 0.00 0.04 0.00 0.00 61.00 62.74 1x4s s PRO 56 Cb 0.01 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 32.11 1x4s s PRO 56 CO 0.50 -0.52 -0.07 -1.12 0.04 0.00 0.00 177.00 175.82 1x4s s SER 57 N -1.33 0.99 -0.08 6.66 0.01 -1.26 -5.13 113.70 113.56 1x4s s SER 57 Ca 0.63 -0.15 -0.20 0.00 1.31 0.00 0.00 55.95 57.54 1x4s s SER 57 Cb -0.29 -0.24 -0.04 0.00 0.21 0.00 0.00 66.02 65.66 1x4s s SER 57 CO 0.35 0.05 0.55 -0.55 0.41 0.00 0.00 173.24 174.05 1x4s s SER 58 N 0.16 6.82 0.00 2.44 0.15 -1.26 -5.28 113.70 116.72 1x4s s SER 58 Ca -0.02 0.97 0.00 0.00 0.70 0.00 0.00 55.95 57.60 1x4s s SER 58 Cb -0.07 -2.33 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1x4s s SER 58 CO 0.00 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.06