#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dif n SER 2 N 0.00 5.70 -2.17 1.61 7.64 -1.26 -4.71 113.62 120.44 2dif n SER 2 Ca 0.00 -3.76 -0.26 0.00 1.01 0.00 0.00 58.87 55.86 2dif n SER 2 Cb 0.00 -0.55 0.02 0.00 -1.01 0.00 0.00 64.21 62.67 2dif n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dif n SER 3 N -0.71 5.28 0.00 6.43 7.64 -1.26 -4.89 113.62 126.11 2dif n SER 3 Ca 0.48 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 56.61 2dif n SER 3 Cb 0.81 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 2dif n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dif n GLY 4 N -0.69 1.59 3.57 0.23 0.00 -1.26 -4.83 105.19 103.81 2dif n GLY 4 Ca 0.46 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.06 2dif n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dif s SER 5 N -1.06 6.39 -0.21 1.61 0.15 -1.26 -4.92 113.70 114.41 2dif s SER 5 Ca 0.00 0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.80 2dif s SER 5 Cb 0.00 -2.30 -0.20 0.00 -1.71 0.00 0.00 66.02 61.81 2dif s SER 5 CO 0.00 -0.50 -0.01 -1.54 1.20 0.00 0.00 173.24 172.40 2dif n SER 6 N 5.84 1.92 -4.58 5.45 3.41 -1.26 -4.98 113.62 119.41 2dif n SER 6 Ca -0.03 -0.01 -0.33 0.00 -0.26 0.00 0.00 58.87 58.23 2dif n SER 6 Cb 0.49 -0.49 0.12 0.00 -0.26 0.00 0.00 64.21 64.07 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 2.14 -0.82 0.12 5.00 0.00 -1.26 -4.92 105.19 105.44 2dif n GLY 7 Ca -0.40 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.05 2dif n GLY 7 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2dif h GLU 8 N -1.10 0.00 -2.35 1.61 4.57 -1.97 -3.45 114.58 111.88 2dif h GLU 8 Ca -0.45 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 57.68 2dif h GLU 8 Cb 1.30 0.00 -0.24 0.00 -0.16 0.00 0.00 28.75 29.65 2dif h GLU 8 CO 0.42 0.55 -0.18 0.45 -1.18 0.00 0.00 179.01 179.06 2dif s SER 9 N -6.36 -0.69 0.05 1.04 0.15 -1.26 -5.11 113.70 101.52 2dif s SER 9 Ca 0.02 1.18 0.08 0.00 0.70 0.00 0.00 55.95 57.93 2dif s SER 9 Cb 0.08 1.20 -0.03 0.00 -1.71 0.00 0.00 66.02 65.56 2dif s SER 9 CO 0.77 -0.22 -0.21 -0.76 1.20 0.00 0.00 173.24 174.02 2dif s LEU 10 N 1.78 2.19 0.26 3.45 1.43 -1.26 -1.42 118.68 125.10 2dif s LEU 10 Ca -0.08 -0.55 -0.31 0.00 -1.03 0.00 0.00 54.13 52.16 2dif s LEU 10 Cb -0.08 -0.99 -0.13 0.00 0.03 0.00 0.00 46.19 45.02 2dif s LEU 10 CO -0.16 0.15 1.49 0.00 0.23 0.00 0.00 176.35 178.06 2dif n PRO 12 N 2.13 0.48 0.00 0.00 -0.04 -1.26 0.49 135.00 136.80 2dif n PRO 12 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2dif n PRO 12 Cb 0.34 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.01 0.00 0.05 0.54 -0.06 -1.26 -4.80 117.38 110.84 2dif n GLN 13 Ca 0.12 0.00 0.12 0.00 -2.00 0.00 0.00 57.00 55.23 2dif n GLN 13 Cb 0.06 -0.42 0.15 0.00 -4.06 0.00 0.00 30.24 25.97 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 -2.67 0.45 -4.25 3.69 8.25 -1.24 -4.95 115.22 114.50 2dif n HIS 14 Ca 0.00 0.13 -0.36 0.00 -0.26 0.00 0.00 57.72 57.23 2dif n HIS 14 Cb 0.31 -0.58 -0.03 0.00 1.12 0.00 0.00 29.99 30.81 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 -2.03 -1.67 -4.37 4.41 8.25 0.18 -4.85 115.22 115.14 2dif n HIS 15 Ca 0.03 0.78 -0.31 0.00 -0.26 0.00 0.00 57.72 57.97 2dif n HIS 15 Cb 0.43 -2.87 -0.10 0.00 1.12 0.00 0.00 29.99 28.57 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 -6.96 2.24 -0.31 -0.41 0.41 -1.26 -4.70 118.70 107.70 2dif s GLU 16 Ca 0.70 -0.93 -0.37 0.00 -0.41 0.00 0.00 54.97 53.95 2dif s GLU 16 Cb -0.39 -2.34 -0.13 0.00 -1.78 0.00 0.00 34.13 29.49 2dif s GLU 16 CO 0.94 0.54 2.01 0.00 -0.49 0.00 0.00 175.26 178.26 2dif n ALA 17 N 1.09 0.58 -2.01 5.21 0.00 -1.26 -2.58 120.51 121.54 2dif n ALA 17 Ca -0.14 0.14 -0.39 0.00 0.00 0.00 0.00 53.44 53.04 2dif n ALA 17 Cb 0.52 -2.40 -0.02 0.00 0.00 0.00 0.00 19.45 17.55 2dif n ALA 17 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dif n LEU 18 N 7.89 4.79 -1.73 0.00 4.77 -0.51 -4.20 117.00 128.02 2dif n LEU 18 Ca 0.36 -3.61 -0.14 0.00 -0.03 0.00 0.00 56.01 52.58 2dif n LEU 18 Cb 0.18 -1.61 0.09 0.00 -2.33 0.00 0.00 43.42 39.75 2dif n LEU 18 CO 0.78 -0.19 0.98 -1.20 -1.33 0.00 0.00 177.39 176.43 2dif n SER 19 N 9.14 3.83 -3.78 -1.43 7.64 -1.26 -4.84 113.62 122.93 2dif n SER 19 Ca 0.49 -2.94 -0.10 0.00 1.01 0.00 0.00 58.87 57.33 2dif n SER 19 Cb 0.44 -0.74 -0.05 0.00 -1.01 0.00 0.00 64.21 62.85 2dif n SER 19 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2dif s LEU 20 N -1.89 0.54 -0.17 -3.43 1.43 -1.21 -3.90 118.68 110.05 2dif s LEU 20 Ca 0.33 -0.55 -0.04 0.00 -1.03 0.00 0.00 54.13 52.83 2dif s LEU 20 Cb 0.27 1.69 0.09 0.00 0.03 0.00 0.00 46.19 48.27 2dif s LEU 20 CO 0.05 -0.92 0.27 0.12 0.23 0.00 0.00 176.35 176.11 2dif s PHE 21 N -3.87 -0.46 -0.43 0.29 5.36 0.14 -2.46 117.98 116.55 2dif s PHE 21 Ca 0.09 0.74 -0.29 0.00 -0.96 0.00 0.00 56.93 56.51 2dif s PHE 21 Cb 0.02 -0.12 0.02 0.00 -0.34 0.00 0.00 43.02 42.60 2dif s PHE 21 CO -0.06 -0.49 1.25 0.00 -1.46 0.00 0.00 175.22 174.46 2dif h TYR 23 N 9.68 -1.01 -0.52 0.00 0.05 -1.59 0.27 116.97 123.85 2dif h TYR 23 Ca -0.25 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.59 2dif h TYR 23 Cb 1.08 0.39 -0.07 0.00 1.01 0.00 0.00 36.73 39.13 2dif h TYR 23 CO 0.96 -0.50 -0.39 1.49 -1.05 0.00 0.00 178.16 178.67 2dif h GLU 24 N -0.76 -0.10 0.00 4.88 4.22 -1.92 1.28 114.58 122.18 2dif h GLU 24 Ca -0.05 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.39 2dif h GLU 24 Cb 0.65 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2dif h GLU 24 CO -0.02 -0.07 0.00 -0.44 -2.18 0.00 0.00 179.01 176.30 2dif h ASP 25 N -0.10 0.00 -6.27 1.04 3.32 -1.89 -3.45 116.42 109.07 2dif h ASP 25 Ca 0.08 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.67 2dif h ASP 25 Cb 0.32 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 2dif h ASP 25 CO -0.54 0.00 -0.81 0.00 -1.72 0.00 0.00 179.24 176.17 2dif n GLN 26 N -2.30 -4.90 -4.05 3.56 1.13 0.44 -4.96 117.38 106.30 2dif n GLN 26 Ca -0.01 0.57 -0.13 0.00 -1.94 0.00 0.00 57.00 55.49 2dif n GLN 26 Cb 0.07 -5.24 -0.04 0.00 0.11 0.00 0.00 30.24 25.15 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 -6.39 1.86 -0.16 -1.09 -1.05 -0.94 -5.03 118.70 105.90 2dif s GLU 27 Ca 0.34 -1.63 -0.09 0.00 -0.15 0.00 0.00 54.97 53.44 2dif s GLU 27 Cb -0.17 0.46 -0.05 0.00 -0.44 0.00 0.00 34.13 33.93 2dif s GLU 27 CO 0.84 -0.78 0.15 0.00 0.95 0.00 0.00 175.26 176.41 2dif s ALA 28 N -3.18 3.77 0.24 -0.84 0.00 -1.26 -1.16 121.76 119.34 2dif s ALA 28 Ca 0.28 -0.65 0.04 0.00 0.00 0.00 0.00 51.96 51.63 2dif s ALA 28 Cb -0.01 -2.10 -0.05 0.00 0.00 0.00 0.00 23.12 20.96 2dif s ALA 28 CO 0.17 0.36 -0.01 0.14 0.00 0.00 0.00 175.76 176.43 2dif s VAL 29 N -0.26 1.13 0.33 0.00 -7.23 -1.03 -4.92 120.40 108.42 2dif s VAL 29 Ca 0.12 -2.04 0.05 0.00 -1.81 0.00 0.00 61.98 58.30 2dif s VAL 29 Cb -0.12 -2.39 -0.01 0.00 0.56 0.00 0.00 36.38 34.42 2dif s VAL 29 CO 0.01 -0.30 0.48 0.00 -0.31 0.00 0.00 175.10 174.98 2dif h LEU 31 N 0.88 0.31 0.16 0.00 6.46 -1.89 -0.23 115.31 121.00 2dif h LEU 31 Ca -0.47 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.34 2dif h LEU 31 Cb 1.25 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.18 2dif h LEU 31 CO 0.55 0.07 -0.07 0.40 -0.62 0.00 0.00 178.44 178.76 2dif h ILE 32 N 0.28 0.95 0.15 4.05 1.08 -1.93 -3.24 117.51 118.85 2dif h ILE 32 Ca 0.56 -0.49 0.01 0.00 -0.39 0.00 0.00 64.86 64.54 2dif h ILE 32 Cb 1.63 1.25 -0.02 0.00 -3.07 0.00 0.00 36.82 36.62 2dif h ILE 32 CO -0.20 0.12 -0.17 0.00 -0.69 0.00 0.00 178.15 177.21 2dif n ALA 34 N -2.41 -0.00 -0.32 0.00 0.00 -0.58 0.11 120.51 117.31 2dif n ALA 34 Ca -0.07 0.70 0.10 0.00 0.00 0.00 0.00 53.44 54.16 2dif n ALA 34 Cb 0.21 -0.35 0.20 0.00 0.00 0.00 0.00 19.45 19.51 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 -5.03 -0.38 0.24 0.00 5.41 -1.09 -0.44 119.36 118.08 2dif n ILE 35 Ca 0.08 2.01 -0.12 0.00 1.00 0.00 0.00 62.75 65.72 2dif n ILE 35 Cb 0.29 -2.87 -0.07 0.00 -0.71 0.00 0.00 39.64 36.29 2dif n ILE 35 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 2dif h SER 36 N 0.00 -0.55 -0.19 4.38 0.87 0.67 -3.06 113.55 115.67 2dif h SER 36 Ca 0.49 -0.06 0.02 0.00 -1.23 0.00 0.00 61.79 61.01 2dif h SER 36 Cb 0.91 0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.97 2dif h SER 36 CO -0.88 -0.15 -0.26 0.45 -0.53 0.00 0.00 176.83 175.47 2dif h HIS 37 N -1.06 -0.78 -1.35 2.24 3.86 -0.71 0.17 115.15 117.52 2dif h HIS 37 Ca -0.07 0.04 0.45 0.00 -1.16 0.00 0.00 60.37 59.63 2dif h HIS 37 Cb 0.58 0.37 -0.13 0.00 1.06 0.00 0.00 27.41 29.28 2dif h HIS 37 CO 0.01 -0.23 0.87 1.79 0.86 0.00 0.00 177.93 181.23 2dif h THR 38 N -0.18 0.07 -0.38 2.45 1.35 -0.87 1.40 112.91 116.75 2dif h THR 38 Ca 0.03 -0.02 -0.16 0.00 -0.55 0.00 0.00 66.41 65.72 2dif h THR 38 Cb 0.27 0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 66.70 2dif h THR 38 CO -0.27 0.01 -0.38 -0.74 -0.25 0.00 0.00 175.52 173.89 2dif h HIS 39 N 0.05 1.08 -0.27 4.73 6.17 -0.61 -3.05 115.15 123.25 2dif h HIS 39 Ca 0.85 -0.32 -0.17 0.00 0.71 0.00 0.00 60.37 61.44 2dif h HIS 39 Cb 2.68 -0.23 -0.08 0.00 2.52 0.00 0.00 27.41 32.31 2dif h HIS 39 CO -0.01 1.14 0.22 0.54 0.71 0.00 0.00 177.93 180.53 2dif n ARG 40 N -4.06 1.42 -4.15 5.26 1.74 0.47 -4.80 116.66 112.55 2dif n ARG 40 Ca -0.02 -0.86 -0.32 0.00 -0.77 0.00 0.00 57.85 55.88 2dif n ARG 40 Cb 0.54 -1.34 -0.03 0.00 -1.02 0.00 0.00 32.46 30.61 2dif n ARG 40 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dif n ALA 41 N 0.65 -1.59 -2.77 7.54 0.00 -1.15 -4.93 120.51 118.26 2dif n ALA 41 Ca 0.17 -0.15 -0.36 0.00 0.00 0.00 0.00 53.44 53.10 2dif n ALA 41 Cb 0.61 -2.49 -0.08 0.00 0.00 0.00 0.00 19.45 17.49 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 -3.63 3.33 -0.06 0.00 3.76 -0.91 -5.01 115.29 112.76 2dif s HIS 42 Ca 0.42 0.31 -0.23 0.00 -0.15 0.00 0.00 55.06 55.40 2dif s HIS 42 Cb -0.23 -1.86 -0.04 0.00 1.11 0.00 0.00 32.58 31.56 2dif s HIS 42 CO 0.93 0.54 0.68 0.99 -0.85 0.00 0.00 174.74 177.03 2dif s THR 43 N -0.85 5.02 -0.03 1.30 2.01 -1.26 -4.02 115.64 117.81 2dif s THR 43 Ca 0.13 1.40 -0.01 0.00 0.31 0.00 0.00 61.69 63.52 2dif s THR 43 Cb -0.12 -4.02 0.03 0.00 0.01 0.00 0.00 72.50 68.40 2dif s THR 43 CO 0.03 0.28 0.06 -0.69 -0.69 0.00 0.00 174.62 173.61 2dif s VAL 44 N 0.63 -0.04 0.08 3.82 1.01 -1.26 -1.66 120.40 122.97 2dif s VAL 44 Ca 0.36 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.55 2dif s VAL 44 Cb -0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 2dif s VAL 44 CO 0.18 0.07 -0.15 0.68 0.00 0.00 0.00 175.10 175.88 2dif s VAL 45 N 0.87 1.16 0.32 2.92 -7.23 -0.95 -4.91 120.40 112.58 2dif s VAL 45 Ca -0.07 -1.36 -0.29 0.00 -1.81 0.00 0.00 61.98 58.45 2dif s VAL 45 Cb -0.10 -1.15 -0.10 0.00 0.56 0.00 0.00 36.38 35.60 2dif s VAL 45 CO -0.03 -0.24 1.22 -2.16 -0.31 0.00 0.00 175.10 173.58 2dif s PRO 46 N -1.85 4.43 -0.24 4.82 0.04 -1.26 -0.69 135.00 140.26 2dif s PRO 46 Ca -0.00 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 62.79 2dif s PRO 46 Cb -0.09 -3.08 -0.01 0.00 0.04 0.00 0.00 34.50 31.35 2dif s PRO 46 CO 0.02 -0.06 1.34 -0.51 0.04 0.00 0.00 177.00 177.84 2dif s LEU 47 N -1.72 3.99 0.00 -3.56 1.02 -1.25 -3.63 118.68 113.53 2dif s LEU 47 Ca 0.48 1.45 0.00 0.00 0.02 0.00 0.00 54.13 56.08 2dif s LEU 47 Cb -0.36 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.31 2dif s LEU 47 CO 0.48 -1.00 0.00 -0.24 0.02 0.00 0.00 176.35 175.61 2dif n SER 48 N 7.40 -0.74 -4.25 2.29 2.88 -1.26 -4.85 113.62 115.08 2dif n SER 48 Ca 0.15 0.37 -0.27 0.00 -1.33 0.00 0.00 58.87 57.80 2dif n SER 48 Cb 0.46 -0.85 -0.15 0.00 -0.75 0.00 0.00 64.21 62.92 2dif n SER 48 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dif s GLY 49 N -1.71 1.12 -0.02 0.46 0.00 -1.24 -5.06 107.32 100.88 2dif s GLY 49 Ca 0.00 -1.03 -0.25 0.00 0.00 0.00 0.00 44.72 43.44 2dif s GLY 49 CO 0.00 -0.92 1.23 -0.56 0.00 0.00 0.00 173.10 172.85 2dif h PRO 50 N 5.12 -0.05 -5.88 2.90 0.13 -1.90 -3.42 132.00 128.91 2dif h PRO 50 Ca -0.42 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.09 2dif h PRO 50 Cb 1.15 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2dif h PRO 50 CO 0.45 0.42 1.48 0.45 -0.23 0.00 0.00 178.00 180.57 2dif n SER 51 N -4.88 2.19 -0.09 1.44 2.88 -1.26 -4.80 113.62 109.09 2dif n SER 51 Ca -0.08 0.26 -0.23 0.00 -1.33 0.00 0.00 58.87 57.48 2dif n SER 51 Cb 0.25 -1.32 -0.12 0.00 -0.75 0.00 0.00 64.21 62.27 2dif n SER 51 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dif n SER 52 N 10.89 1.99 0.00 -3.46 3.41 -1.26 -4.56 113.62 120.62 2dif n SER 52 Ca 0.41 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 2dif n SER 52 Cb 0.28 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 2dif n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49