#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 3.91 -0.07 1.61 0.01 -1.26 -5.07 113.70 112.83 2dif s SER 2 Ca 0.00 -2.85 -0.03 0.00 1.31 0.00 0.00 55.95 54.39 2dif s SER 2 Cb 0.00 -1.27 0.04 0.00 0.21 0.00 0.00 66.02 65.00 2dif s SER 2 CO 0.00 -0.24 0.13 -0.94 0.41 0.00 0.00 173.24 172.60 2dif s SER 3 N 0.01 0.61 -0.62 2.44 1.04 -1.26 -4.96 113.70 110.95 2dif s SER 3 Ca 0.18 0.27 -0.13 0.00 0.48 0.00 0.00 55.95 56.75 2dif s SER 3 Cb -0.23 0.18 0.02 0.00 0.10 0.00 0.00 66.02 66.08 2dif s SER 3 CO -0.01 -0.22 0.64 0.61 0.98 0.00 0.00 173.24 175.24 2dif n GLY 4 N 5.04 -0.95 3.88 7.32 0.00 -1.26 -4.99 105.19 114.23 2dif n GLY 4 Ca -0.10 0.86 -0.25 0.00 0.00 0.00 0.00 46.02 46.53 2dif n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dif s SER 5 N -2.55 5.91 -0.62 1.61 0.01 -1.26 -5.03 113.70 111.78 2dif s SER 5 Ca 0.15 -0.02 -0.00 0.00 1.31 0.00 0.00 55.95 57.39 2dif s SER 5 Cb -0.03 -1.66 0.44 0.00 0.21 0.00 0.00 66.02 64.99 2dif s SER 5 CO 0.82 0.03 1.86 -0.24 0.41 0.00 0.00 173.24 176.12 2dif n SER 6 N -0.68 7.11 -4.22 2.44 2.88 -1.26 -4.97 113.62 114.93 2dif n SER 6 Ca -0.08 -3.79 -0.17 0.00 -1.33 0.00 0.00 58.87 53.50 2dif n SER 6 Cb 0.55 -0.86 -0.11 0.00 -0.75 0.00 0.00 64.21 63.04 2dif n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dif s GLY 7 N -2.09 1.01 -0.09 0.46 0.00 -1.26 -5.04 107.32 100.30 2dif s GLY 7 Ca 0.60 -1.23 0.16 0.00 0.00 0.00 0.00 44.72 44.25 2dif s GLY 7 CO -0.06 -1.29 0.24 1.18 0.00 0.00 0.00 173.10 173.16 2dif n GLU 8 N 0.64 0.90 -3.51 2.90 4.71 -1.26 -5.03 120.64 119.99 2dif n GLU 8 Ca -0.16 -0.09 -0.16 0.00 -0.01 0.00 0.00 57.16 56.74 2dif n GLU 8 Cb 0.57 -1.42 -0.05 0.00 -1.01 0.00 0.00 31.44 29.53 2dif n GLU 8 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2dif s SER 9 N -4.46 -0.60 0.01 1.62 1.04 -1.26 -5.12 113.70 104.92 2dif s SER 9 Ca -0.07 0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.83 2dif s SER 9 Cb 0.08 0.54 -0.01 0.00 0.10 0.00 0.00 66.02 66.74 2dif s SER 9 CO 0.70 -0.71 -0.02 -0.76 0.98 0.00 0.00 173.24 173.43 2dif s LEU 10 N -1.66 2.06 0.06 2.42 1.43 -1.26 -2.54 118.68 119.19 2dif s LEU 10 Ca -0.07 -0.14 -0.37 0.00 -1.03 0.00 0.00 54.13 52.51 2dif s LEU 10 Cb -0.00 -0.04 -0.18 0.00 0.03 0.00 0.00 46.19 46.00 2dif s LEU 10 CO 0.03 -0.06 1.14 0.00 0.23 0.00 0.00 176.35 177.69 2dif n PRO 12 N 1.86 0.18 0.00 0.00 -0.04 -1.26 0.86 135.00 136.61 2dif n PRO 12 Ca 0.19 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 2dif n PRO 12 Cb 0.15 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 2dif n PRO 12 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2dif n GLN 13 N -1.31 0.00 0.08 0.54 6.02 -1.26 -4.75 117.38 116.69 2dif n GLN 13 Ca 0.06 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.17 2dif n GLN 13 Cb 0.12 -0.85 0.03 0.00 1.02 0.00 0.00 30.24 30.56 2dif n GLN 13 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2dif n HIS 14 N -2.51 0.74 -3.90 1.08 8.25 -1.23 -4.97 115.22 112.68 2dif n HIS 14 Ca 0.00 0.21 -0.29 0.00 -0.26 0.00 0.00 57.72 57.38 2dif n HIS 14 Cb 0.45 -0.80 0.03 0.00 1.12 0.00 0.00 29.99 30.79 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 -2.44 -2.24 -4.31 4.41 8.25 0.25 -4.88 115.22 114.25 2dif n HIS 15 Ca 0.01 0.90 -0.23 0.00 -0.26 0.00 0.00 57.72 58.14 2dif n HIS 15 Cb 0.51 -4.01 -0.12 0.00 1.12 0.00 0.00 29.99 27.50 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 -6.56 1.20 0.07 -0.41 0.41 -1.26 -4.74 118.70 107.42 2dif s GLU 16 Ca 0.58 -1.29 -0.36 0.00 -0.41 0.00 0.00 54.97 53.49 2dif s GLU 16 Cb -0.29 -1.34 -0.19 0.00 -1.78 0.00 0.00 34.13 30.53 2dif s GLU 16 CO 0.83 0.29 0.95 0.00 -0.49 0.00 0.00 175.26 176.84 2dif n ALA 17 N 0.65 -3.05 -3.31 5.21 0.00 -1.26 -1.19 120.51 117.57 2dif n ALA 17 Ca -0.16 0.54 -0.46 0.00 0.00 0.00 0.00 53.44 53.36 2dif n ALA 17 Cb 0.55 -1.76 -0.01 0.00 0.00 0.00 0.00 19.45 18.23 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 0.86 6.41 -0.42 0.00 1.43 -1.05 -4.47 118.68 121.44 2dif s LEU 18 Ca 0.82 -3.24 0.03 0.00 -1.03 0.00 0.00 54.13 50.72 2dif s LEU 18 Cb -1.13 -2.22 0.59 0.00 0.03 0.00 0.00 46.19 43.46 2dif s LEU 18 CO 0.56 -0.42 1.84 -1.20 0.23 0.00 0.00 176.35 177.36 2dif n SER 19 N 3.33 3.91 -3.06 2.29 7.64 -1.23 -4.64 113.62 121.86 2dif n SER 19 Ca 0.21 -3.46 -0.17 0.00 1.01 0.00 0.00 58.87 56.46 2dif n SER 19 Cb 0.42 -0.82 -0.06 0.00 -1.01 0.00 0.00 64.21 62.74 2dif n SER 19 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2dif n LEU 20 N -0.97 0.00 -3.60 -3.43 4.77 -0.84 -3.65 117.00 109.28 2dif n LEU 20 Ca 0.54 -2.92 -0.02 0.00 -0.03 0.00 0.00 56.01 53.58 2dif n LEU 20 Cb 1.51 1.87 -0.06 0.00 -2.33 0.00 0.00 43.42 44.41 2dif n LEU 20 CO 0.56 -0.54 0.63 0.12 -1.33 0.00 0.00 177.39 176.83 2dif s PHE 21 N -3.19 -0.64 -0.23 -1.77 5.36 -0.44 -2.93 117.98 114.15 2dif s PHE 21 Ca 0.35 1.24 -0.14 0.00 -0.96 0.00 0.00 56.93 57.41 2dif s PHE 21 Cb 0.01 0.38 -0.04 0.00 -0.34 0.00 0.00 43.02 43.03 2dif s PHE 21 CO 0.25 -0.32 0.33 0.00 -1.46 0.00 0.00 175.22 174.02 2dif h TYR 23 N 7.57 -0.47 -0.38 0.00 0.05 -1.08 1.26 116.97 123.92 2dif h TYR 23 Ca -0.36 -0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.46 2dif h TYR 23 Cb 1.16 0.16 -0.07 0.00 1.01 0.00 0.00 36.73 38.99 2dif h TYR 23 CO 0.69 -0.14 -0.47 1.49 -1.05 0.00 0.00 178.16 178.68 2dif h GLU 24 N -0.92 -0.29 -0.11 4.88 4.81 -1.95 -1.82 114.58 119.17 2dif h GLU 24 Ca -0.05 0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.02 2dif h GLU 24 Cb 0.54 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.98 2dif h GLU 24 CO 0.09 -0.20 -0.68 -0.44 -0.73 0.00 0.00 179.01 177.05 2dif h ASP 25 N -0.31 0.55 -2.85 1.04 3.32 -1.91 -3.48 116.42 112.79 2dif h ASP 25 Ca 0.07 -0.34 -0.15 0.00 0.02 0.00 0.00 57.03 56.63 2dif h ASP 25 Cb 0.48 -0.16 0.05 0.00 0.22 0.00 0.00 39.33 39.93 2dif h ASP 25 CO -0.52 1.07 -0.26 1.67 -1.72 0.00 0.00 179.24 179.48 2dif n GLN 26 N -3.88 -3.05 -3.93 3.56 -0.06 0.43 -5.04 117.38 105.41 2dif n GLN 26 Ca -0.04 0.32 -0.19 0.00 -2.00 0.00 0.00 57.00 55.09 2dif n GLN 26 Cb 0.68 -3.79 -0.17 0.00 -4.06 0.00 0.00 30.24 22.90 2dif n GLN 26 CO 0.00 0.00 0.00 -1.83 -0.20 0.00 0.00 177.06 175.03 2dif s GLU 27 N -5.50 0.42 0.20 3.69 -1.05 -1.08 -4.95 118.70 110.43 2dif s GLU 27 Ca 0.22 0.07 -0.32 0.00 -0.15 0.00 0.00 54.97 54.79 2dif s GLU 27 Cb -0.10 -0.62 -0.14 0.00 -0.44 0.00 0.00 34.13 32.82 2dif s GLU 27 CO 0.28 -0.16 1.36 0.00 0.95 0.00 0.00 175.26 177.69 2dif n ALA 28 N 4.35 0.48 -2.40 -0.84 0.00 -1.26 -2.98 120.51 117.86 2dif n ALA 28 Ca -0.22 0.44 -0.19 0.00 0.00 0.00 0.00 53.44 53.47 2dif n ALA 28 Cb 0.50 -2.20 -0.10 0.00 0.00 0.00 0.00 19.45 17.65 2dif n ALA 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2dif s VAL 29 N 0.09 0.96 0.34 0.00 -7.23 -1.15 -4.92 120.40 108.49 2dif s VAL 29 Ca 0.72 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.94 2dif s VAL 29 Cb -0.73 -2.71 0.06 0.00 0.56 0.00 0.00 36.38 33.55 2dif s VAL 29 CO 0.48 -0.02 0.47 0.00 -0.31 0.00 0.00 175.10 175.72 2dif h LEU 31 N 0.00 0.00 -0.12 0.00 -0.00 -1.94 -2.88 115.31 110.37 2dif h LEU 31 Ca -0.16 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.57 2dif h LEU 31 Cb 0.70 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.37 2dif h LEU 31 CO 0.22 0.36 -0.54 0.40 -0.00 0.00 0.00 178.44 178.88 2dif h ILE 32 N 0.00 1.35 -0.00 0.15 2.04 -1.95 -3.30 117.51 115.79 2dif h ILE 32 Ca -0.00 -1.83 -0.00 0.00 1.00 0.00 0.00 64.86 64.02 2dif h ILE 32 Cb 0.80 2.12 -0.00 0.00 -0.74 0.00 0.00 36.82 39.01 2dif h ILE 32 CO 0.05 0.56 0.00 0.00 0.00 0.00 0.00 178.15 178.76 2dif n ALA 34 N -2.12 0.99 -0.20 0.00 0.00 -1.09 -0.85 120.51 117.23 2dif n ALA 34 Ca -0.07 0.64 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2dif n ALA 34 Cb 0.05 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 -4.17 0.00 -0.32 0.00 5.41 -1.01 0.53 119.36 119.80 2dif n ILE 35 Ca 0.29 1.40 0.14 0.00 1.00 0.00 0.00 62.75 65.58 2dif n ILE 35 Cb 1.14 -2.21 0.33 0.00 -0.71 0.00 0.00 39.64 38.18 2dif n ILE 35 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 2dif h SER 36 N 0.00 0.52 0.00 4.38 4.64 -1.17 -1.21 113.55 120.71 2dif h SER 36 Ca 0.00 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2dif h SER 36 Cb 0.00 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2dif h SER 36 CO 0.00 0.09 0.00 1.41 -0.87 0.00 0.00 176.83 177.46 2dif n HIS 37 N -4.94 0.00 -0.67 4.77 8.25 -0.98 -1.55 115.22 120.10 2dif n HIS 37 Ca 0.23 0.00 0.51 0.00 -0.26 0.00 0.00 57.72 58.20 2dif n HIS 37 Cb 0.66 -0.30 0.80 0.00 1.12 0.00 0.00 29.99 32.26 2dif n HIS 37 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2dif n THR 38 N -1.40 -0.05 -0.06 1.59 -2.24 0.19 0.20 114.28 112.50 2dif n THR 38 Ca 0.00 1.56 -0.15 0.00 -2.27 0.00 0.00 64.05 63.19 2dif n THR 38 Cb 0.00 -2.58 -0.06 0.00 -2.10 0.00 0.00 70.33 65.59 2dif n THR 38 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 2dif h HIS 39 N 0.00 0.82 0.00 4.78 3.86 -1.07 -2.88 115.15 120.66 2dif h HIS 39 Ca 0.93 -0.29 0.00 0.00 -1.16 0.00 0.00 60.37 59.85 2dif h HIS 39 Cb 3.60 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 31.92 2dif h HIS 39 CO -0.00 1.06 0.00 0.54 0.86 0.00 0.00 177.93 180.39 2dif n ARG 40 N -4.22 0.98 -2.48 2.45 5.12 0.52 -4.83 116.66 114.20 2dif n ARG 40 Ca -0.06 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.76 2dif n ARG 40 Cb 0.54 -1.01 0.01 0.00 -1.16 0.00 0.00 32.46 30.84 2dif n ARG 40 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dif n ALA 41 N -0.49 -0.42 -2.26 7.54 0.00 -0.83 -5.01 120.51 119.04 2dif n ALA 41 Ca 0.00 0.12 -0.37 0.00 0.00 0.00 0.00 53.44 53.20 2dif n ALA 41 Cb 0.00 -1.89 -0.06 0.00 0.00 0.00 0.00 19.45 17.51 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 -2.73 3.69 -0.30 0.00 3.76 -0.96 -4.99 115.29 113.77 2dif s HIS 42 Ca 0.10 1.22 -0.22 0.00 -0.15 0.00 0.00 55.06 56.01 2dif s HIS 42 Cb -0.04 -2.48 -0.00 0.00 1.11 0.00 0.00 32.58 31.16 2dif s HIS 42 CO 0.12 0.46 0.71 0.99 -0.85 0.00 0.00 174.74 176.17 2dif s THR 43 N -1.35 4.87 -0.01 1.30 2.01 -1.26 -4.19 115.64 117.00 2dif s THR 43 Ca 0.36 1.05 0.01 0.00 0.31 0.00 0.00 61.69 63.42 2dif s THR 43 Cb -0.17 -4.07 0.01 0.00 0.01 0.00 0.00 72.50 68.28 2dif s THR 43 CO 0.20 -0.18 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.23 2dif s VAL 44 N 2.77 0.27 0.05 3.82 1.01 -1.26 -0.39 120.40 126.68 2dif s VAL 44 Ca 0.29 -0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.23 2dif s VAL 44 Cb -0.15 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 2dif s VAL 44 CO 0.12 0.11 -0.12 0.68 0.00 0.00 0.00 175.10 175.89 2dif s VAL 45 N 0.31 0.91 0.09 2.92 -7.23 0.28 -4.91 120.40 112.77 2dif s VAL 45 Ca -0.03 -1.15 -0.31 0.00 -1.81 0.00 0.00 61.98 58.68 2dif s VAL 45 Cb -0.06 -0.90 -0.07 0.00 0.56 0.00 0.00 36.38 35.91 2dif s VAL 45 CO -0.01 -0.22 1.38 -2.16 -0.31 0.00 0.00 175.10 173.78 2dif s PRO 46 N -1.54 4.32 -0.07 4.82 0.04 -1.26 -1.32 135.00 139.99 2dif s PRO 46 Ca -0.04 2.03 -0.07 0.00 0.04 0.00 0.00 61.00 62.97 2dif s PRO 46 Cb -0.09 -3.31 -0.02 0.00 0.04 0.00 0.00 34.50 31.11 2dif s PRO 46 CO 0.01 -0.44 -0.13 1.28 0.04 0.00 0.00 177.00 177.76 2dif n LEU 47 N 4.17 0.75 -0.58 -3.56 4.32 -1.24 -4.45 117.00 116.41 2dif n LEU 47 Ca 0.11 0.14 0.44 0.00 -0.02 0.00 0.00 56.01 56.69 2dif n LEU 47 Cb 0.43 -0.60 0.69 0.00 -1.62 0.00 0.00 43.42 42.32 2dif n LEU 47 CO 0.58 -0.42 1.24 -1.20 -1.22 0.00 0.00 177.39 176.38 2dif n SER 48 N -3.25 0.02 -1.64 -1.43 7.64 -1.26 -4.30 113.62 109.40 2dif n SER 48 Ca -0.05 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.72 2dif n SER 48 Cb 0.20 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 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 -1.74 0.46 3.77 0.23 0.00 -1.26 -5.05 105.19 101.60 2dif n GLY 49 Ca 0.38 -1.82 -0.37 0.00 0.00 0.00 0.00 46.02 44.20 2dif n GLY 49 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dif s PRO 50 N 1.23 3.84 -0.87 1.61 0.04 -1.26 -4.99 135.00 134.60 2dif s PRO 50 Ca 0.00 1.80 -0.14 0.00 0.04 0.00 0.00 61.00 62.71 2dif s PRO 50 Cb 0.00 -2.49 0.22 0.00 0.04 0.00 0.00 34.50 32.27 2dif s PRO 50 CO 0.00 -0.49 0.83 -1.54 0.04 0.00 0.00 177.00 175.84 2dif s SER 51 N -1.28 6.82 -0.42 6.66 1.04 -1.26 -4.84 113.70 120.42 2dif s SER 51 Ca 0.62 -2.76 -0.10 0.00 0.48 0.00 0.00 55.95 54.19 2dif s SER 51 Cb -0.29 -2.22 0.08 0.00 0.10 0.00 0.00 66.02 63.68 2dif s SER 51 CO 0.36 -0.57 0.27 -0.44 0.98 0.00 0.00 173.24 173.84 2dif s SER 52 N 2.14 5.67 0.00 7.02 0.01 -1.26 -5.23 113.70 122.05 2dif s SER 52 Ca 0.20 -1.49 0.25 0.00 1.31 0.00 0.00 55.95 56.23 2dif s SER 52 Cb -0.10 -2.00 0.40 0.00 0.21 0.00 0.00 66.02 64.53 2dif s SER 52 CO -0.09 -0.54 1.38 0.61 0.41 0.00 0.00 173.24 175.01