#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dif s SER 2 N 0.00 4.00 0.33 1.61 1.04 -1.26 -5.16 113.70 114.26 2dif s SER 2 Ca 0.00 -1.46 0.06 0.00 0.48 0.00 0.00 55.95 55.02 2dif s SER 2 Cb 0.00 -0.06 -0.07 0.00 0.10 0.00 0.00 66.02 65.99 2dif s SER 2 CO 0.00 -0.61 0.01 -0.44 0.98 0.00 0.00 173.24 173.18 2dif s SER 3 N -3.78 2.91 -1.07 7.02 0.01 -1.26 -5.04 113.70 112.49 2dif s SER 3 Ca 0.25 -1.32 -0.20 0.00 1.31 0.00 0.00 55.95 55.99 2dif s SER 3 Cb 0.07 -0.20 -0.08 0.00 0.21 0.00 0.00 66.02 66.02 2dif s SER 3 CO 0.13 -0.48 1.96 0.61 0.41 0.00 0.00 173.24 175.87 2dif n GLY 4 N -0.73 2.52 3.60 3.44 0.00 -1.26 -4.94 105.19 107.82 2dif n GLY 4 Ca -0.04 -1.21 -0.33 0.00 0.00 0.00 0.00 46.02 44.45 2dif n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dif n SER 5 N 9.06 -0.17 -4.09 1.61 7.64 -1.26 -4.72 113.62 121.69 2dif n SER 5 Ca 0.49 0.46 -0.58 0.00 1.01 0.00 0.00 58.87 60.24 2dif n SER 5 Cb 0.42 -1.40 -0.09 0.00 -1.01 0.00 0.00 64.21 62.13 2dif n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dif n SER 6 N -2.97 0.98 0.00 6.43 3.41 -1.26 -4.66 113.62 115.55 2dif n SER 6 Ca 0.11 0.95 0.00 0.00 -0.26 0.00 0.00 58.87 59.67 2dif n SER 6 Cb 0.52 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 2dif n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dif n GLY 7 N 4.20 3.99 3.83 5.00 0.00 -1.26 -4.99 105.19 115.97 2dif n GLY 7 Ca 0.32 -1.24 -0.27 0.00 0.00 0.00 0.00 46.02 44.83 2dif n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dif n GLU 8 N -0.02 -5.54 -3.02 1.61 1.02 -1.26 -4.91 120.64 108.52 2dif n GLU 8 Ca 0.00 0.62 -0.43 0.00 -0.02 0.00 0.00 57.16 57.33 2dif n GLU 8 Cb 0.00 -5.43 -0.05 0.00 -0.02 0.00 0.00 31.44 25.94 2dif n GLU 8 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2dif s SER 9 N -3.61 6.24 0.18 1.62 0.01 -1.26 -5.04 113.70 111.85 2dif s SER 9 Ca 0.47 -0.85 0.08 0.00 1.31 0.00 0.00 55.95 56.96 2dif s SER 9 Cb -0.23 -2.35 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 2dif s SER 9 CO 0.82 -1.10 -0.04 -0.76 0.41 0.00 0.00 173.24 172.57 2dif s LEU 10 N 3.23 3.17 0.26 2.44 1.43 -1.26 -1.31 118.68 126.64 2dif s LEU 10 Ca 0.20 -0.49 -0.31 0.00 -1.03 0.00 0.00 54.13 52.50 2dif s LEU 10 Cb -0.18 -1.83 -0.12 0.00 0.03 0.00 0.00 46.19 44.10 2dif s LEU 10 CO 0.13 0.09 1.60 0.00 0.23 0.00 0.00 176.35 178.40 2dif n PRO 12 N 2.57 0.26 0.00 0.00 -0.04 -1.26 0.12 135.00 136.64 2dif n PRO 12 Ca 0.11 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 2dif n PRO 12 Cb 0.35 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 2dif n PRO 12 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2dif n GLN 13 N -1.23 0.34 0.02 0.54 -0.06 -1.26 -4.77 117.38 110.96 2dif n GLN 13 Ca 0.08 0.00 0.11 0.00 -2.00 0.00 0.00 57.00 55.19 2dif n GLN 13 Cb 0.11 -0.89 -0.06 0.00 -4.06 0.00 0.00 30.24 25.33 2dif n GLN 13 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 2dif n HIS 14 N -2.22 0.24 -3.89 3.69 8.25 -1.22 -4.99 115.22 115.09 2dif n HIS 14 Ca 0.00 0.07 -0.27 0.00 -0.26 0.00 0.00 57.72 57.27 2dif n HIS 14 Cb 0.39 -0.47 0.01 0.00 1.12 0.00 0.00 29.99 31.04 2dif n HIS 14 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2dif n HIS 15 N -2.09 -1.92 -4.25 4.41 8.25 0.32 -4.85 115.22 115.10 2dif n HIS 15 Ca 0.00 0.83 -0.21 0.00 -0.26 0.00 0.00 57.72 58.08 2dif n HIS 15 Cb 0.48 -3.93 -0.12 0.00 1.12 0.00 0.00 29.99 27.54 2dif n HIS 15 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2dif s GLU 16 N -6.42 1.03 -0.06 -0.41 0.41 -1.26 -4.70 118.70 107.29 2dif s GLU 16 Ca 0.26 -1.15 -0.37 0.00 -0.41 0.00 0.00 54.97 53.30 2dif s GLU 16 Cb -0.13 -1.11 -0.15 0.00 -1.78 0.00 0.00 34.13 30.96 2dif s GLU 16 CO 0.85 0.24 1.60 0.00 -0.49 0.00 0.00 175.26 177.47 2dif n ALA 17 N 0.93 -0.06 -2.60 5.21 0.00 -1.26 -0.96 120.51 121.76 2dif n ALA 17 Ca -0.18 0.42 -0.42 0.00 0.00 0.00 0.00 53.44 53.26 2dif n ALA 17 Cb 0.55 -2.24 -0.03 0.00 0.00 0.00 0.00 19.45 17.73 2dif n ALA 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2dif s LEU 18 N 2.18 3.47 -0.17 0.00 1.43 -0.43 -4.43 118.68 120.73 2dif s LEU 18 Ca 0.90 -0.28 0.16 0.00 -1.03 0.00 0.00 54.13 53.88 2dif s LEU 18 Cb -0.91 -2.80 0.55 0.00 0.03 0.00 0.00 46.19 43.06 2dif s LEU 18 CO 0.53 -1.61 1.45 -0.24 0.23 0.00 0.00 176.35 176.71 2dif n SER 19 N 8.69 4.02 -4.03 2.29 2.88 -1.24 -4.89 113.62 121.33 2dif n SER 19 Ca 0.04 -2.92 -0.10 0.00 -1.33 0.00 0.00 58.87 54.57 2dif n SER 19 Cb 0.49 -0.53 -0.08 0.00 -0.75 0.00 0.00 64.21 63.33 2dif n SER 19 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2dif s LEU 20 N -2.65 0.98 -0.24 2.46 1.43 -1.15 -3.64 118.68 115.87 2dif s LEU 20 Ca 0.42 -1.02 -0.04 0.00 -1.03 0.00 0.00 54.13 52.47 2dif s LEU 20 Cb 0.33 1.04 0.13 0.00 0.03 0.00 0.00 46.19 47.72 2dif s LEU 20 CO 0.10 -0.91 0.42 0.12 0.23 0.00 0.00 176.35 176.32 2dif s PHE 21 N -4.02 -0.92 -0.37 0.29 5.36 0.23 -2.07 117.98 116.48 2dif s PHE 21 Ca 0.23 1.14 -0.29 0.00 -0.96 0.00 0.00 56.93 57.05 2dif s PHE 21 Cb 0.04 0.17 -0.00 0.00 -0.34 0.00 0.00 43.02 42.88 2dif s PHE 21 CO 0.04 -0.68 1.61 0.00 -1.46 0.00 0.00 175.22 174.73 2dif h TYR 23 N 11.77 -0.96 -0.73 0.00 0.05 -1.63 0.35 116.97 125.82 2dif h TYR 23 Ca -0.31 -0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.54 2dif h TYR 23 Cb 1.14 0.35 -0.10 0.00 1.01 0.00 0.00 36.73 39.13 2dif h TYR 23 CO 0.96 -0.51 -0.51 1.49 -1.05 0.00 0.00 178.16 178.54 2dif h GLU 24 N -0.83 -0.09 0.00 4.88 4.57 -1.91 1.27 114.58 122.47 2dif h GLU 24 Ca -0.07 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 2dif h GLU 24 Cb 0.67 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.28 2dif h GLU 24 CO 0.04 -0.06 0.00 -0.44 -1.18 0.00 0.00 179.01 177.37 2dif h ASP 25 N -0.09 0.00 -4.88 1.04 3.32 -1.88 -3.46 116.42 110.47 2dif h ASP 25 Ca 0.12 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 56.76 2dif h ASP 25 Cb 0.40 0.00 0.08 0.00 0.22 0.00 0.00 39.33 40.03 2dif h ASP 25 CO -0.74 0.00 -0.63 0.00 -1.72 0.00 0.00 179.24 176.15 2dif n GLN 26 N -3.02 -5.66 -4.21 3.56 1.13 0.43 -4.99 117.38 104.63 2dif n GLN 26 Ca -0.02 0.88 -0.12 0.00 -1.94 0.00 0.00 57.00 55.80 2dif n GLN 26 Cb 0.15 -5.79 -0.10 0.00 0.11 0.00 0.00 30.24 24.61 2dif n GLN 26 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 2dif s GLU 27 N -5.88 1.09 -0.09 -1.09 -1.05 -0.90 -5.02 118.70 105.77 2dif s GLU 27 Ca 0.38 -1.54 -0.15 0.00 -0.15 0.00 0.00 54.97 53.51 2dif s GLU 27 Cb -0.17 -0.02 -0.05 0.00 -0.44 0.00 0.00 34.13 33.45 2dif s GLU 27 CO 0.48 -0.23 0.39 0.00 0.95 0.00 0.00 175.26 176.85 2dif s ALA 28 N -3.87 3.60 0.41 -0.84 0.00 -1.26 -1.00 121.76 118.79 2dif s ALA 28 Ca 0.28 -0.28 0.04 0.00 0.00 0.00 0.00 51.96 51.99 2dif s ALA 28 Cb 0.07 -2.47 -0.02 0.00 0.00 0.00 0.00 23.12 20.70 2dif s ALA 28 CO 0.05 0.21 0.14 0.14 0.00 0.00 0.00 175.76 176.30 2dif s VAL 29 N -0.06 0.57 0.55 0.00 -7.23 -0.88 -4.91 120.40 108.44 2dif s VAL 29 Ca 0.22 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.46 2dif s VAL 29 Cb -0.15 -2.34 0.05 0.00 0.56 0.00 0.00 36.38 34.51 2dif s VAL 29 CO 0.09 0.00 0.54 0.00 -0.31 0.00 0.00 175.10 175.43 2dif h LEU 31 N 0.55 -1.18 -0.33 0.00 6.46 -1.92 -2.81 115.31 116.07 2dif h LEU 31 Ca -0.34 0.10 0.04 0.00 -0.12 0.00 0.00 57.88 57.56 2dif h LEU 31 Cb 1.30 0.40 -0.07 0.00 -0.73 0.00 0.00 40.66 41.56 2dif h LEU 31 CO 0.51 -0.53 -0.45 0.40 -0.62 0.00 0.00 178.44 177.76 2dif h ILE 32 N -0.78 0.00 -0.36 4.05 2.04 -1.96 -2.48 117.51 118.02 2dif h ILE 32 Ca -0.04 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.85 2dif h ILE 32 Cb 0.69 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 2dif h ILE 32 CO -0.10 0.00 -0.21 0.00 0.00 0.00 0.00 178.15 177.84 2dif n ALA 34 N -3.09 0.19 -0.30 0.00 0.00 -0.94 0.21 120.51 116.59 2dif n ALA 34 Ca 0.01 0.76 -0.01 0.00 0.00 0.00 0.00 53.44 54.19 2dif n ALA 34 Cb 0.09 -0.47 0.02 0.00 0.00 0.00 0.00 19.45 19.10 2dif n ALA 34 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2dif n ILE 35 N -5.11 -0.42 0.27 0.00 2.08 0.22 0.00 119.36 116.41 2dif n ILE 35 Ca 0.12 1.81 -0.12 0.00 0.56 0.00 0.00 62.75 65.12 2dif n ILE 35 Cb 0.37 -2.37 -0.06 0.00 -0.75 0.00 0.00 39.64 36.83 2dif n ILE 35 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2dif h SER 36 N 0.00 -0.63 -0.35 4.38 0.02 -0.33 -3.17 113.55 113.46 2dif h SER 36 Ca 0.25 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.24 2dif h SER 36 Cb 0.45 0.16 -0.05 0.00 0.14 0.00 0.00 62.40 63.11 2dif h SER 36 CO -0.76 -0.23 -0.24 0.45 -1.14 0.00 0.00 176.83 174.91 2dif h HIS 37 N -1.18 -0.78 -1.35 3.45 3.86 -0.94 0.50 115.15 118.72 2dif h HIS 37 Ca -0.08 0.05 0.47 0.00 -1.16 0.00 0.00 60.37 59.65 2dif h HIS 37 Cb 0.59 0.39 -0.14 0.00 1.06 0.00 0.00 27.41 29.30 2dif h HIS 37 CO 0.00 -0.17 0.86 1.15 0.86 0.00 0.00 177.93 180.63 2dif h THR 38 N -0.05 0.02 -0.63 2.45 2.02 -0.54 1.60 112.91 117.79 2dif h THR 38 Ca 0.06 -0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.14 2dif h THR 38 Cb 0.19 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.58 2dif h THR 38 CO -0.35 0.00 0.04 -0.74 0.37 0.00 0.00 175.52 174.84 2dif h HIS 39 N 0.01 1.17 -0.14 3.16 2.76 0.02 -2.37 115.15 119.77 2dif h HIS 39 Ca 0.88 -0.19 -0.03 0.00 -2.20 0.00 0.00 60.37 58.83 2dif h HIS 39 Cb 2.77 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 31.40 2dif h HIS 39 CO -0.01 1.01 0.04 0.54 -1.30 0.00 0.00 177.93 178.21 2dif n ARG 40 N -4.19 1.62 -2.97 5.26 3.00 0.54 -4.81 116.66 115.12 2dif n ARG 40 Ca 0.04 -0.61 -0.19 0.00 -0.01 0.00 0.00 57.85 57.07 2dif n ARG 40 Cb 0.33 -1.53 0.04 0.00 0.00 0.00 0.00 32.46 31.29 2dif n ARG 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2dif n ALA 41 N 0.14 -0.86 -2.63 7.54 0.00 -0.89 -4.98 120.51 118.82 2dif n ALA 41 Ca 0.07 0.26 -0.38 0.00 0.00 0.00 0.00 53.44 53.40 2dif n ALA 41 Cb 0.52 -3.58 -0.06 0.00 0.00 0.00 0.00 19.45 16.33 2dif n ALA 41 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2dif s HIS 42 N -3.11 3.61 0.01 0.00 3.76 -0.88 -4.98 115.29 113.70 2dif s HIS 42 Ca 0.29 0.85 -0.30 0.00 -0.15 0.00 0.00 55.06 55.74 2dif s HIS 42 Cb -0.13 -2.33 -0.04 0.00 1.11 0.00 0.00 32.58 31.19 2dif s HIS 42 CO 0.36 0.45 1.16 0.99 -0.85 0.00 0.00 174.74 176.85 2dif s THR 43 N -0.35 4.25 -0.01 1.30 2.01 -1.26 -3.89 115.64 117.70 2dif s THR 43 Ca 0.22 1.60 0.01 0.00 0.31 0.00 0.00 61.69 63.83 2dif s THR 43 Cb -0.15 -4.03 0.00 0.00 0.01 0.00 0.00 72.50 68.33 2dif s THR 43 CO 0.10 0.08 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.38 2dif s VAL 44 N 1.48 0.35 -0.02 3.82 1.01 -1.26 -1.83 120.40 123.95 2dif s VAL 44 Ca 0.56 -0.14 -0.16 0.00 0.00 0.00 0.00 61.98 62.24 2dif s VAL 44 Cb -0.26 -0.33 0.03 0.00 0.00 0.00 0.00 36.38 35.82 2dif s VAL 44 CO 0.26 0.12 0.34 0.68 0.00 0.00 0.00 175.10 176.51 2dif s VAL 45 N 0.17 0.05 0.35 2.92 -7.23 -1.19 -4.95 120.40 110.52 2dif s VAL 45 Ca -0.02 -0.41 -0.27 0.00 -1.81 0.00 0.00 61.98 59.47 2dif s VAL 45 Cb -0.05 -0.64 -0.09 0.00 0.56 0.00 0.00 36.38 36.15 2dif s VAL 45 CO -0.00 -0.23 1.21 -2.16 -0.31 0.00 0.00 175.10 173.61 2dif s PRO 46 N -1.25 4.28 -0.06 4.82 0.04 -1.26 -0.60 135.00 140.98 2dif s PRO 46 Ca -0.13 1.98 -0.11 0.00 0.04 0.00 0.00 61.00 62.79 2dif s PRO 46 Cb -0.05 -2.93 -0.07 0.00 0.04 0.00 0.00 34.50 31.49 2dif s PRO 46 CO 0.05 -0.17 0.44 -0.07 0.04 0.00 0.00 177.00 177.29 2dif h LEU 47 N 3.16 -0.25 -3.16 -3.56 4.07 -1.86 -3.31 115.31 110.41 2dif h LEU 47 Ca -0.48 -0.07 -0.30 0.00 0.08 0.00 0.00 57.88 57.11 2dif h LEU 47 Cb 1.23 0.06 -0.17 0.00 1.08 0.00 0.00 40.66 42.86 2dif h LEU 47 CO 0.64 0.24 0.38 -1.20 -1.08 0.00 0.00 178.44 177.42 2dif n SER 48 N -4.97 3.87 -1.49 -0.43 7.64 -1.26 -5.01 113.62 111.97 2dif n SER 48 Ca -0.05 -2.92 0.09 0.00 1.01 0.00 0.00 58.87 57.01 2dif n SER 48 Cb 0.16 -0.74 -0.05 0.00 -1.01 0.00 0.00 64.21 62.56 2dif n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dif n GLY 49 N -0.32 -3.71 0.07 0.23 0.00 -1.25 -4.74 105.19 95.47 2dif n GLY 49 Ca 0.33 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 2dif n GLY 49 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dif h PRO 50 N -0.70 -0.05 -2.37 1.61 0.13 -1.95 -3.49 132.00 125.19 2dif h PRO 50 Ca -0.11 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.12 2dif h PRO 50 Cb 1.19 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 2dif h PRO 50 CO 0.04 0.42 0.46 0.45 -0.23 0.00 0.00 178.00 179.15 2dif s SER 51 N -5.63 -0.37 0.08 1.44 0.15 -1.26 -5.06 113.70 103.05 2dif s SER 51 Ca -0.16 -0.03 -0.23 0.00 0.70 0.00 0.00 55.95 56.23 2dif s SER 51 Cb 0.02 0.42 -0.15 0.00 -1.71 0.00 0.00 66.02 64.59 2dif s SER 51 CO 0.65 -0.68 1.68 -1.28 1.20 0.00 0.00 173.24 174.81 2dif h SER 52 N 2.00 0.01 0.00 5.45 0.87 -1.95 -3.55 113.55 116.38 2dif h SER 52 Ca -0.24 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 2dif h SER 52 Cb 1.25 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2dif h SER 52 CO 0.31 0.06 0.00 0.61 -0.53 0.00 0.00 176.83 177.29