#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 1.54 0.27 1.61 0.01 -1.26 -5.17 113.70 110.71 2dif s SER 2 Ca 0.00 -0.95 0.03 0.00 1.31 0.00 0.00 55.95 56.34 2dif s SER 2 Cb 0.00 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.21 2dif s SER 2 CO 0.00 -0.34 0.18 -0.94 0.41 0.00 0.00 173.24 172.55 2dif s SER 3 N -2.92 1.06 0.00 2.44 1.04 -1.26 -5.12 113.70 108.94 2dif s SER 3 Ca 0.12 -1.54 0.00 0.00 0.48 0.00 0.00 55.95 55.01 2dif s SER 3 Cb 0.01 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2dif s SER 3 CO -0.01 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.91 2dif n GLY 4 N -0.47 -1.83 3.64 7.32 0.00 -1.26 -5.17 105.19 107.41 2dif n GLY 4 Ca 0.03 0.81 -0.08 0.00 0.00 0.00 0.00 46.02 46.78 2dif n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dif s SER 5 N 0.00 -0.79 -0.03 1.61 1.04 -1.26 -5.17 113.70 109.10 2dif s SER 5 Ca 0.00 1.34 0.05 0.00 0.48 0.00 0.00 55.95 57.82 2dif s SER 5 Cb 0.00 1.34 -0.01 0.00 0.10 0.00 0.00 66.02 67.45 2dif s SER 5 CO 0.00 -0.22 -0.19 -0.94 0.98 0.00 0.00 173.24 172.87 2dif s SER 6 N 1.17 2.30 0.00 7.02 1.04 -1.26 -5.12 113.70 118.85 2dif s SER 6 Ca -0.06 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.00 2dif s SER 6 Cb -0.05 -0.49 0.00 0.00 0.10 0.00 0.00 66.02 65.59 2dif s SER 6 CO -0.13 0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.90 2dif n GLY 7 N 2.90 1.75 0.02 7.32 0.00 -1.26 -5.05 105.19 110.87 2dif n GLY 7 Ca -0.17 -0.80 -0.01 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 2.29 -3.66 1.61 4.71 -1.26 -5.01 120.64 119.32 2dif n GLU 8 Ca 0.00 -0.02 -0.08 0.00 -0.01 0.00 0.00 57.16 57.05 2dif n GLU 8 Cb 0.00 -1.14 -0.09 0.00 -1.01 0.00 0.00 31.44 29.20 2dif n GLU 8 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 2dif s SER 9 N -3.37 -0.43 -0.02 1.62 0.01 -1.26 -5.08 113.70 105.17 2dif s SER 9 Ca -0.02 1.05 0.02 0.00 1.31 0.00 0.00 55.95 58.31 2dif s SER 9 Cb 0.02 1.32 0.00 0.00 0.21 0.00 0.00 66.02 67.58 2dif s SER 9 CO 0.22 -0.22 -0.09 -0.76 0.41 0.00 0.00 173.24 172.80 2dif s LEU 10 N 2.34 1.83 0.20 2.44 1.43 -1.26 0.05 118.68 125.71 2dif s LEU 10 Ca -0.04 -0.18 -0.32 0.00 -1.03 0.00 0.00 54.13 52.56 2dif s LEU 10 Cb -0.11 -0.52 -0.15 0.00 0.03 0.00 0.00 46.19 45.45 2dif s LEU 10 CO -0.14 0.07 1.24 0.00 0.23 0.00 0.00 176.35 177.76 2dif n PRO 12 N 1.81 0.27 0.00 0.00 -0.04 -1.26 0.29 135.00 136.07 2dif n PRO 12 Ca 0.14 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2dif n PRO 12 Cb 0.27 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 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 0.00 0.13 0.54 0.00 -1.26 -4.78 117.38 110.78 2dif n GLN 13 Ca 0.08 0.00 0.12 0.00 -0.00 0.00 0.00 57.00 57.20 2dif n GLN 13 Cb 0.11 -0.51 0.10 0.00 0.00 0.00 0.00 30.24 29.93 2dif n GLN 13 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2dif h HIS 14 N 0.00 0.00 -4.39 3.69 3.86 -1.95 -3.47 115.15 112.89 2dif h HIS 14 Ca 0.00 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 58.86 2dif h HIS 14 Cb 0.76 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.21 2dif h HIS 14 CO 0.00 0.00 -0.50 0.72 0.86 0.00 0.00 177.93 179.01 2dif n HIS 15 N -2.71 -1.63 -4.27 2.45 8.25 0.14 -4.87 115.22 112.58 2dif n HIS 15 Ca 0.02 0.29 -0.30 0.00 -0.26 0.00 0.00 57.72 57.47 2dif n HIS 15 Cb 0.52 -3.48 -0.10 0.00 1.12 0.00 0.00 29.99 28.06 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 -5.52 2.28 0.03 -0.41 2.02 -1.26 -4.66 118.70 111.18 2dif s GLU 16 Ca 0.21 -0.94 -0.37 0.00 0.02 0.00 0.00 54.97 53.89 2dif s GLU 16 Cb -0.10 -2.38 -0.19 0.00 0.10 0.00 0.00 34.13 31.56 2dif s GLU 16 CO 0.25 0.53 0.96 0.00 0.02 0.00 0.00 175.26 177.03 2dif n ALA 17 N 0.86 -3.47 -3.22 5.21 0.00 -1.26 -1.59 120.51 117.05 2dif n ALA 17 Ca -0.13 0.56 -0.45 0.00 0.00 0.00 0.00 53.44 53.41 2dif n ALA 17 Cb 0.52 -1.69 -0.01 0.00 0.00 0.00 0.00 19.45 18.27 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 0.45 6.12 -0.63 0.00 1.43 0.11 -4.36 118.68 121.81 2dif s LEU 18 Ca 0.85 -2.94 -0.00 0.00 -1.03 0.00 0.00 54.13 51.00 2dif s LEU 18 Cb -1.19 -2.27 0.44 0.00 0.03 0.00 0.00 46.19 43.20 2dif s LEU 18 CO 0.55 -0.57 1.87 -1.20 0.23 0.00 0.00 176.35 177.23 2dif n SER 19 N 4.17 7.14 -3.68 2.29 7.64 -1.23 -4.54 113.62 125.41 2dif n SER 19 Ca 0.22 -3.79 -0.10 0.00 1.01 0.00 0.00 58.87 56.21 2dif n SER 19 Cb 0.44 -0.87 -0.04 0.00 -1.01 0.00 0.00 64.21 62.73 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 -3.82 0.16 -0.18 -3.43 1.43 -0.98 -3.95 118.68 107.91 2dif s LEU 20 Ca 0.60 -0.40 -0.06 0.00 -1.03 0.00 0.00 54.13 53.24 2dif s LEU 20 Cb 0.48 2.04 0.08 0.00 0.03 0.00 0.00 46.19 48.83 2dif s LEU 20 CO -0.07 -0.97 0.38 0.12 0.23 0.00 0.00 176.35 176.04 2dif s PHE 21 N -3.84 -0.70 -0.56 0.29 5.36 0.66 -1.43 117.98 117.75 2dif s PHE 21 Ca 0.07 1.38 -0.23 0.00 -0.96 0.00 0.00 56.93 57.18 2dif s PHE 21 Cb 0.00 0.21 0.05 0.00 -0.34 0.00 0.00 43.02 42.94 2dif s PHE 21 CO -0.07 -0.45 0.92 0.00 -1.46 0.00 0.00 175.22 174.16 2dif h TYR 23 N 9.32 0.40 0.66 0.00 0.05 -0.89 1.07 116.97 127.59 2dif h TYR 23 Ca -0.27 0.04 -0.03 0.00 0.05 0.00 0.00 58.73 58.53 2dif h TYR 23 Cb 1.07 -0.05 0.01 0.00 1.01 0.00 0.00 36.73 38.77 2dif h TYR 23 CO 0.91 -0.11 -0.32 1.49 -1.05 0.00 0.00 178.16 179.07 2dif h GLU 24 N 0.29 -0.86 0.00 4.88 4.57 -1.92 -2.07 114.58 119.48 2dif h GLU 24 Ca 0.50 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.74 2dif h GLU 24 Cb 0.93 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 2dif h GLU 24 CO -0.56 -0.57 0.00 -0.25 -1.18 0.00 0.00 179.01 176.44 2dif n ASP 25 N -5.47 0.00 -3.78 1.04 8.00 -0.58 -4.87 116.55 110.89 2dif n ASP 25 Ca -0.14 -1.30 -0.29 0.00 0.71 0.00 0.00 54.79 53.77 2dif n ASP 25 Cb 0.36 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.40 2dif n ASP 25 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dif n GLN 26 N -0.78 -0.83 -4.09 -1.24 1.13 0.36 -4.85 117.38 107.07 2dif n GLN 26 Ca 0.12 0.09 -0.10 0.00 -1.94 0.00 0.00 57.00 55.18 2dif n GLN 26 Cb 0.06 -3.25 -0.09 0.00 0.11 0.00 0.00 30.24 27.07 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 -5.79 1.01 -0.08 -1.09 -1.05 -1.13 -4.98 118.70 105.59 2dif s GLU 27 Ca 0.45 -1.36 -0.16 0.00 -0.15 0.00 0.00 54.97 53.75 2dif s GLU 27 Cb -0.26 0.29 -0.05 0.00 -0.44 0.00 0.00 34.13 33.67 2dif s GLU 27 CO 0.75 -0.32 0.40 0.00 0.95 0.00 0.00 175.26 177.05 2dif s ALA 28 N -4.03 3.60 0.32 -0.84 0.00 -1.26 -0.43 121.76 119.12 2dif s ALA 28 Ca 0.22 -0.27 0.04 0.00 0.00 0.00 0.00 51.96 51.95 2dif s ALA 28 Cb 0.06 -2.47 -0.06 0.00 0.00 0.00 0.00 23.12 20.65 2dif s ALA 28 CO 0.01 0.23 0.06 0.14 0.00 0.00 0.00 175.76 176.20 2dif s VAL 29 N -0.14 1.17 0.49 0.00 -7.23 -0.52 -4.94 120.40 109.24 2dif s VAL 29 Ca 0.23 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.44 2dif s VAL 29 Cb -0.15 -2.78 0.02 0.00 0.56 0.00 0.00 36.38 34.03 2dif s VAL 29 CO 0.10 -0.01 0.69 0.00 -0.31 0.00 0.00 175.10 175.56 2dif h LEU 31 N 0.32 -0.98 -0.84 0.00 3.38 -1.92 -1.89 115.31 113.38 2dif h LEU 31 Ca -0.41 0.11 0.14 0.00 0.09 0.00 0.00 57.88 57.81 2dif h LEU 31 Cb 1.29 0.37 -0.14 0.00 0.09 0.00 0.00 40.66 42.27 2dif h LEU 31 CO 0.49 -0.31 -0.36 0.40 0.09 0.00 0.00 178.44 178.75 2dif h ILE 32 N -0.40 0.07 -0.56 1.22 2.04 -1.96 0.14 117.51 118.06 2dif h ILE 32 Ca 0.01 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.98 2dif h ILE 32 Cb 0.43 0.07 -0.11 0.00 -0.74 0.00 0.00 36.82 36.47 2dif h ILE 32 CO -0.21 0.00 -0.20 0.00 0.00 0.00 0.00 178.15 177.74 2dif n ALA 34 N -3.02 -0.08 -0.30 0.00 0.00 0.48 0.63 120.51 118.21 2dif n ALA 34 Ca 0.05 0.85 0.11 0.00 0.00 0.00 0.00 53.44 54.46 2dif n ALA 34 Cb 0.32 -0.39 0.22 0.00 0.00 0.00 0.00 19.45 19.60 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 -5.26 -0.37 0.23 0.00 5.41 -0.56 0.27 119.36 119.09 2dif n ILE 35 Ca 0.09 1.93 -0.14 0.00 1.00 0.00 0.00 62.75 65.64 2dif n ILE 35 Cb 0.35 -2.79 -0.08 0.00 -0.71 0.00 0.00 39.64 36.41 2dif n ILE 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2dif h SER 36 N 0.00 -0.52 0.26 4.38 0.02 0.06 -2.60 113.55 115.15 2dif h SER 36 Ca 0.50 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.36 2dif h SER 36 Cb 0.98 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.63 2dif h SER 36 CO -0.84 -0.15 -0.40 0.45 -1.14 0.00 0.00 176.83 174.74 2dif h HIS 37 N -0.93 -1.14 -1.36 3.45 3.86 -0.42 -0.32 115.15 118.29 2dif h HIS 37 Ca -0.06 0.02 0.40 0.00 -1.16 0.00 0.00 60.37 59.56 2dif h HIS 37 Cb 0.58 0.47 -0.07 0.00 1.06 0.00 0.00 27.41 29.45 2dif h HIS 37 CO 0.01 -0.50 0.96 1.79 0.86 0.00 0.00 177.93 181.06 2dif h THR 38 N -0.70 0.31 0.01 2.45 1.35 -0.28 0.87 112.91 116.92 2dif h THR 38 Ca -0.03 -0.02 -0.24 0.00 -0.55 0.00 0.00 66.41 65.58 2dif h THR 38 Cb 0.64 0.26 0.01 0.00 -1.73 0.00 0.00 68.15 67.33 2dif h THR 38 CO -0.13 0.01 -0.98 -0.74 -0.25 0.00 0.00 175.52 173.42 2dif h HIS 39 N 0.04 0.69 -0.12 4.73 6.17 -0.78 -3.11 115.15 122.76 2dif h HIS 39 Ca 0.67 -0.38 0.00 0.00 0.71 0.00 0.00 60.37 61.37 2dif h HIS 39 Cb 2.56 -0.07 0.00 0.00 2.52 0.00 0.00 27.41 32.41 2dif h HIS 39 CO -0.00 1.21 0.00 0.54 0.71 0.00 0.00 177.93 180.39 2dif n ARG 40 N -3.75 1.78 -3.62 5.26 1.74 0.29 -4.84 116.66 113.52 2dif n ARG 40 Ca -0.08 -0.66 -0.24 0.00 -0.77 0.00 0.00 57.85 56.10 2dif n ARG 40 Cb 0.86 -1.61 0.08 0.00 -1.02 0.00 0.00 32.46 30.76 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 0.11 -1.31 -2.83 7.54 0.00 -0.92 -4.98 120.51 118.13 2dif n ALA 41 Ca 0.06 0.39 -0.36 0.00 0.00 0.00 0.00 53.44 53.53 2dif n ALA 41 Cb 0.42 -5.47 -0.07 0.00 0.00 0.00 0.00 19.45 14.33 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 -3.32 3.49 -0.19 0.00 3.76 -0.73 -5.01 115.29 113.30 2dif s HIS 42 Ca 0.60 0.42 -0.29 0.00 -0.15 0.00 0.00 55.06 55.64 2dif s HIS 42 Cb -0.27 -1.97 -0.00 0.00 1.11 0.00 0.00 32.58 31.45 2dif s HIS 42 CO 0.74 0.59 1.11 0.99 -0.85 0.00 0.00 174.74 177.32 2dif s THR 43 N -0.68 4.55 -0.03 1.30 2.01 -1.26 -4.13 115.64 117.41 2dif s THR 43 Ca 0.13 1.86 0.00 0.00 0.31 0.00 0.00 61.69 63.99 2dif s THR 43 Cb -0.12 -4.20 0.03 0.00 0.01 0.00 0.00 72.50 68.22 2dif s THR 43 CO 0.02 -0.14 0.02 -0.69 -0.69 0.00 0.00 174.62 173.15 2dif s VAL 44 N 3.09 0.05 0.06 3.82 1.01 -1.26 -0.23 120.40 126.94 2dif s VAL 44 Ca 0.48 0.17 0.05 0.00 0.00 0.00 0.00 61.98 62.68 2dif s VAL 44 Cb -0.18 -0.18 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 2dif s VAL 44 CO 0.11 0.12 -0.13 0.68 0.00 0.00 0.00 175.10 175.87 2dif s VAL 45 N 1.13 1.05 -0.05 2.92 -7.23 -0.28 -4.87 120.40 113.06 2dif s VAL 45 Ca -0.08 -1.16 -0.30 0.00 -1.81 0.00 0.00 61.98 58.63 2dif s VAL 45 Cb -0.13 -1.00 -0.05 0.00 0.56 0.00 0.00 36.38 35.76 2dif s VAL 45 CO -0.02 -0.15 1.49 -2.16 -0.31 0.00 0.00 175.10 173.94 2dif s PRO 46 N -1.49 4.23 -0.16 4.82 0.04 -1.26 -0.24 135.00 140.94 2dif s PRO 46 Ca -0.01 2.01 -0.14 0.00 0.04 0.00 0.00 61.00 62.90 2dif s PRO 46 Cb -0.09 -3.78 -0.05 0.00 0.04 0.00 0.00 34.50 30.62 2dif s PRO 46 CO 0.02 -0.72 -0.28 1.28 0.04 0.00 0.00 177.00 177.34 2dif n LEU 47 N 6.37 1.74 -0.68 -3.56 4.32 -1.25 -4.38 117.00 119.55 2dif n LEU 47 Ca 0.15 0.38 0.52 0.00 -0.02 0.00 0.00 56.01 57.04 2dif n LEU 47 Cb 0.43 -0.75 0.80 0.00 -1.62 0.00 0.00 43.42 42.28 2dif n LEU 47 CO 0.60 -0.34 1.45 -0.24 -1.22 0.00 0.00 177.39 177.64 2dif n SER 48 N -4.32 0.03 -4.70 -1.43 2.88 -1.26 -4.34 113.62 100.48 2dif n SER 48 Ca -0.11 1.04 -0.23 0.00 -1.33 0.00 0.00 58.87 58.23 2dif n SER 48 Cb 0.41 -0.52 -0.07 0.00 -0.75 0.00 0.00 64.21 63.29 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 -3.90 1.60 0.19 0.46 0.00 -1.26 -5.10 107.32 99.32 2dif s GLY 49 Ca -0.05 -1.54 -0.30 0.00 0.00 0.00 0.00 44.72 42.83 2dif s GLY 49 CO 0.88 -1.59 1.31 2.56 0.00 0.00 0.00 173.10 176.26 2dif s PRO 50 N -3.59 4.39 0.19 2.90 0.04 -1.26 -4.88 135.00 132.79 2dif s PRO 50 Ca 0.31 2.04 -0.22 0.00 0.04 0.00 0.00 61.00 63.18 2dif s PRO 50 Cb -0.07 -3.20 0.05 0.00 0.04 0.00 0.00 34.50 31.32 2dif s PRO 50 CO 0.21 -0.26 0.61 -1.54 0.04 0.00 0.00 177.00 176.06 2dif s SER 51 N 0.40 -0.47 0.01 6.66 1.04 -1.26 -5.07 113.70 115.01 2dif s SER 51 Ca 0.57 -0.18 -0.21 0.00 0.48 0.00 0.00 55.95 56.61 2dif s SER 51 Cb -0.36 0.62 0.05 0.00 0.10 0.00 0.00 66.02 66.42 2dif s SER 51 CO 0.37 -1.05 0.48 -0.44 0.98 0.00 0.00 173.24 173.58 2dif s SER 52 N -2.80 -0.39 0.00 7.02 0.01 -1.26 -5.13 113.70 111.15 2dif s SER 52 Ca 0.04 0.23 0.32 0.00 1.31 0.00 0.00 55.95 57.85 2dif s SER 52 Cb -0.02 0.44 1.84 0.00 0.21 0.00 0.00 66.02 68.49 2dif s SER 52 CO -0.08 -0.62 2.19 0.61 0.41 0.00 0.00 173.24 175.75