#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 2.51 0.76 1.61 0.15 -1.26 -5.14 113.70 112.32 2dif s SER 2 Ca 0.00 -0.61 -0.11 0.00 0.70 0.00 0.00 55.95 55.93 2dif s SER 2 Cb 0.00 -0.53 0.05 0.00 -1.71 0.00 0.00 66.02 63.83 2dif s SER 2 CO 0.00 -0.28 1.13 -0.94 1.20 0.00 0.00 173.24 174.35 2dif s SER 3 N 1.91 4.96 -0.47 5.45 1.04 -1.26 -4.88 113.70 120.46 2dif s SER 3 Ca 0.01 0.93 -0.43 0.00 0.48 0.00 0.00 55.95 56.94 2dif s SER 3 Cb -0.16 -1.57 -0.18 0.00 0.10 0.00 0.00 66.02 64.21 2dif s SER 3 CO -0.07 -1.62 1.76 0.61 0.98 0.00 0.00 173.24 174.90 2dif n GLY 4 N -3.15 0.01 3.15 7.32 0.00 -1.26 -4.89 105.19 106.37 2dif n GLY 4 Ca 0.07 1.00 0.04 0.00 0.00 0.00 0.00 46.02 47.14 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 4.28 -1.33 -0.16 1.61 0.01 -1.26 -5.04 113.70 111.80 2dif s SER 5 Ca 1.06 0.64 -0.15 0.00 1.31 0.00 0.00 55.95 58.81 2dif s SER 5 Cb -1.41 2.04 -0.23 0.00 0.21 0.00 0.00 66.02 66.63 2dif s SER 5 CO 0.69 -0.25 0.32 0.77 0.41 0.00 0.00 173.24 175.19 2dif h SER 6 N 7.98 0.21 -0.74 2.44 4.64 -2.00 -3.38 113.55 122.70 2dif h SER 6 Ca -0.17 -0.73 -0.04 0.00 -0.47 0.00 0.00 61.79 60.38 2dif h SER 6 Cb 1.17 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 63.16 2dif h SER 6 CO 0.19 1.65 0.29 1.23 -0.87 0.00 0.00 176.83 179.32 2dif h GLY 7 N -0.06 1.19 -4.55 -0.77 0.00 -2.01 -2.99 103.07 93.88 2dif h GLY 7 Ca -0.37 -0.65 -0.53 0.00 0.00 0.00 0.00 47.33 45.77 2dif h GLY 7 CO -0.06 0.62 0.49 -2.21 0.00 0.00 0.00 176.54 175.37 2dif n GLU 8 N -4.33 2.43 -1.04 4.80 2.13 -1.26 -4.91 120.64 118.47 2dif n GLU 8 Ca 0.06 -2.48 -0.31 0.00 0.66 0.00 0.00 57.16 55.09 2dif n GLU 8 Cb 0.18 -2.14 0.12 0.00 0.27 0.00 0.00 31.44 29.88 2dif n GLU 8 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2dif s SER 9 N 0.14 3.80 0.03 4.31 0.15 -1.13 -4.92 113.70 116.07 2dif s SER 9 Ca 0.57 1.94 -0.08 0.00 0.70 0.00 0.00 55.95 59.08 2dif s SER 9 Cb 0.39 -2.52 -0.00 0.00 -1.71 0.00 0.00 66.02 62.18 2dif s SER 9 CO -0.24 -2.50 0.15 -0.76 1.20 0.00 0.00 173.24 171.09 2dif s LEU 10 N -6.21 1.54 0.35 3.45 1.43 -1.26 -1.91 118.68 116.06 2dif s LEU 10 Ca 0.63 -0.35 -0.28 0.00 -1.03 0.00 0.00 54.13 53.10 2dif s LEU 10 Cb -0.19 0.77 -0.10 0.00 0.03 0.00 0.00 46.19 46.70 2dif s LEU 10 CO 0.57 -0.48 1.25 0.00 0.23 0.00 0.00 176.35 177.92 2dif n PRO 12 N 0.61 0.23 0.00 0.00 -0.04 -1.26 -0.07 135.00 134.46 2dif n PRO 12 Ca 0.01 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2dif n PRO 12 Cb 0.43 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.26 0.00 0.08 0.54 1.13 -1.26 -4.78 117.38 111.82 2dif n GLN 13 Ca 0.07 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.26 2dif n GLN 13 Cb 0.11 -0.42 0.27 0.00 0.11 0.00 0.00 30.24 30.31 2dif n GLN 13 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2dif n HIS 14 N -2.72 0.73 -4.31 1.08 8.25 -1.25 -4.93 115.22 112.08 2dif n HIS 14 Ca 0.00 0.21 -0.37 0.00 -0.26 0.00 0.00 57.72 57.30 2dif n HIS 14 Cb 0.33 -0.79 -0.04 0.00 1.12 0.00 0.00 29.99 30.61 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 -2.19 -1.55 -4.30 4.41 8.25 0.90 -4.82 115.22 115.92 2dif n HIS 15 Ca 0.04 0.76 -0.29 0.00 -0.26 0.00 0.00 57.72 57.97 2dif n HIS 15 Cb 0.44 -2.68 -0.11 0.00 1.12 0.00 0.00 29.99 28.76 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 -7.02 1.88 -0.21 -0.41 2.02 -1.26 -4.68 118.70 109.02 2dif s GLU 16 Ca 0.69 -1.21 -0.38 0.00 0.02 0.00 0.00 54.97 54.09 2dif s GLU 16 Cb -0.39 -2.13 -0.15 0.00 0.10 0.00 0.00 34.13 31.56 2dif s GLU 16 CO 0.96 0.47 1.76 0.00 0.02 0.00 0.00 175.26 178.46 2dif n ALA 17 N 0.54 0.05 -2.63 5.21 0.00 -1.26 -2.17 120.51 120.26 2dif n ALA 17 Ca -0.14 0.37 -0.42 0.00 0.00 0.00 0.00 53.44 53.25 2dif n ALA 17 Cb 0.54 -2.29 -0.02 0.00 0.00 0.00 0.00 19.45 17.68 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 3.51 3.82 -0.33 0.00 1.43 -0.80 -4.34 118.68 121.97 2dif s LEU 18 Ca 0.96 -1.75 0.10 0.00 -1.03 0.00 0.00 54.13 52.41 2dif s LEU 18 Cb -0.97 -2.54 0.70 0.00 0.03 0.00 0.00 46.19 43.41 2dif s LEU 18 CO 0.61 -1.37 1.76 -1.20 0.23 0.00 0.00 176.35 176.39 2dif n SER 19 N 8.38 4.41 -3.97 2.29 7.64 -1.24 -4.85 113.62 126.28 2dif n SER 19 Ca 0.35 -3.31 -0.08 0.00 1.01 0.00 0.00 58.87 56.84 2dif n SER 19 Cb 0.50 -0.73 -0.09 0.00 -1.01 0.00 0.00 64.21 62.88 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 -3.05 1.94 -0.12 -3.43 1.43 -1.16 -3.25 118.68 111.04 2dif s LEU 20 Ca 0.53 -0.79 -0.04 0.00 -1.03 0.00 0.00 54.13 52.80 2dif s LEU 20 Cb 0.44 0.62 0.06 0.00 0.03 0.00 0.00 46.19 47.33 2dif s LEU 20 CO 0.12 -0.65 0.24 0.12 0.23 0.00 0.00 176.35 176.40 2dif s PHE 21 N -3.76 -0.36 -0.49 0.29 5.36 0.83 -2.14 117.98 117.72 2dif s PHE 21 Ca 0.05 0.87 -0.25 0.00 -0.96 0.00 0.00 56.93 56.64 2dif s PHE 21 Cb 0.06 -0.09 0.03 0.00 -0.34 0.00 0.00 43.02 42.68 2dif s PHE 21 CO -0.10 -0.33 0.94 0.00 -1.46 0.00 0.00 175.22 174.28 2dif h TYR 23 N 9.16 0.82 0.57 0.00 0.05 -0.03 0.95 116.97 128.48 2dif h TYR 23 Ca -0.25 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.53 2dif h TYR 23 Cb 1.07 -0.26 0.01 0.00 1.01 0.00 0.00 36.73 38.56 2dif h TYR 23 CO 0.89 0.35 -0.27 0.93 -1.05 0.00 0.00 178.16 179.00 2dif h GLU 24 N 0.73 -0.74 0.00 4.88 3.07 -1.91 -2.90 114.58 117.71 2dif h GLU 24 Ca 0.41 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.32 2dif h GLU 24 Cb 0.56 0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 2dif h GLU 24 CO -0.17 -0.43 0.00 -0.25 -1.40 0.00 0.00 179.01 176.76 2dif n ASP 25 N -5.33 0.00 -3.86 1.42 8.00 -1.00 -4.89 116.55 110.89 2dif n ASP 25 Ca -0.11 -1.31 -0.24 0.00 0.71 0.00 0.00 54.79 53.84 2dif n ASP 25 Cb 0.34 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.37 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 -0.83 -0.94 -4.00 -1.24 1.13 0.32 -4.89 117.38 106.94 2dif n GLN 26 Ca 0.15 0.06 -0.09 0.00 -1.94 0.00 0.00 57.00 55.19 2dif n GLN 26 Cb 0.07 -2.64 -0.08 0.00 0.11 0.00 0.00 30.24 27.70 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 -6.29 0.90 -0.35 -1.09 -1.05 -1.11 -4.99 118.70 104.71 2dif s GLU 27 Ca 0.01 -1.19 -0.14 0.00 -0.15 0.00 0.00 54.97 53.50 2dif s GLU 27 Cb -0.01 0.30 -0.01 0.00 -0.44 0.00 0.00 34.13 33.98 2dif s GLU 27 CO 0.75 -0.28 0.31 0.00 0.95 0.00 0.00 175.26 176.99 2dif s ALA 28 N -3.95 3.49 0.47 -0.84 0.00 -1.26 -1.27 121.76 118.41 2dif s ALA 28 Ca 0.13 -1.36 0.05 0.00 0.00 0.00 0.00 51.96 50.79 2dif s ALA 28 Cb 0.06 -2.78 -0.02 0.00 0.00 0.00 0.00 23.12 20.38 2dif s ALA 28 CO -0.05 -1.11 0.19 0.14 0.00 0.00 0.00 175.76 174.94 2dif s VAL 29 N 1.86 1.83 0.74 0.00 -7.23 -0.91 -4.91 120.40 111.77 2dif s VAL 29 Ca 0.09 -1.72 -0.01 0.00 -1.81 0.00 0.00 61.98 58.52 2dif s VAL 29 Cb -0.17 -2.55 0.14 0.00 0.56 0.00 0.00 36.38 34.35 2dif s VAL 29 CO 0.11 0.00 1.01 0.00 -0.31 0.00 0.00 175.10 175.91 2dif h LEU 31 N -0.58 -1.12 -0.52 0.00 6.46 -1.91 -2.67 115.31 114.97 2dif h LEU 31 Ca -0.36 0.09 0.10 0.00 -0.12 0.00 0.00 57.88 57.59 2dif h LEU 31 Cb 1.26 0.37 -0.11 0.00 -0.73 0.00 0.00 40.66 41.46 2dif h LEU 31 CO 0.39 -0.57 -0.31 0.40 -0.62 0.00 0.00 178.44 177.73 2dif h ILE 32 N -0.85 0.22 -0.88 4.05 2.04 -1.96 0.66 117.51 120.79 2dif h ILE 32 Ca -0.04 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.05 2dif h ILE 32 Cb 0.75 0.22 -0.14 0.00 -0.74 0.00 0.00 36.82 36.92 2dif h ILE 32 CO -0.05 0.00 0.28 0.00 0.00 0.00 0.00 178.15 178.38 2dif h ALA 34 N 1.76 0.09 -0.70 0.00 0.00 -0.52 -1.64 119.26 118.25 2dif h ALA 34 Ca 0.56 0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.74 2dif h ALA 34 Cb 1.11 0.75 -0.09 0.00 0.00 0.00 0.00 17.79 19.56 2dif h ALA 34 CO -0.62 -0.61 -0.38 -0.89 0.00 0.00 0.00 179.25 176.75 2dif n ILE 35 N -5.45 -0.45 0.13 0.00 5.41 -0.08 0.19 119.36 119.11 2dif n ILE 35 Ca 0.06 1.68 -0.13 0.00 1.00 0.00 0.00 62.75 65.36 2dif n ILE 35 Cb 0.36 -2.11 -0.06 0.00 -0.71 0.00 0.00 39.64 37.12 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 -0.83 0.20 4.38 0.87 -1.43 -1.08 113.55 115.67 2dif h SER 36 Ca 0.14 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2dif h SER 36 Cb 0.32 0.31 -0.03 0.00 -0.44 0.00 0.00 62.40 62.55 2dif h SER 36 CO -0.67 -0.39 -0.45 0.45 -0.53 0.00 0.00 176.83 175.24 2dif h HIS 37 N -0.53 -1.30 -1.12 2.24 3.86 -0.09 0.32 115.15 118.53 2dif h HIS 37 Ca 0.02 0.03 0.32 0.00 -1.16 0.00 0.00 60.37 59.58 2dif h HIS 37 Cb 0.54 0.54 -0.06 0.00 1.06 0.00 0.00 27.41 29.49 2dif h HIS 37 CO -0.25 -0.54 0.78 1.79 0.86 0.00 0.00 177.93 180.58 2dif h THR 38 N -0.72 0.45 0.08 2.45 1.35 -0.22 0.59 112.91 116.89 2dif h THR 38 Ca -0.02 -0.03 -0.25 0.00 -0.55 0.00 0.00 66.41 65.56 2dif h THR 38 Cb 0.69 0.34 -0.00 0.00 -1.73 0.00 0.00 68.15 67.44 2dif h THR 38 CO -0.19 0.02 -1.14 0.45 -0.25 0.00 0.00 175.52 174.41 2dif h HIS 39 N 0.10 0.37 -0.20 4.73 3.86 0.20 -3.19 115.15 121.02 2dif h HIS 39 Ca 0.56 -0.26 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 2dif h HIS 39 Cb 2.02 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 30.47 2dif h HIS 39 CO -0.00 1.18 0.00 0.54 0.86 0.00 0.00 177.93 180.51 2dif n ARG 40 N -3.51 2.07 -3.58 2.45 5.12 0.19 -4.86 116.66 114.54 2dif n ARG 40 Ca -0.06 -0.96 -0.23 0.00 -1.93 0.00 0.00 57.85 54.67 2dif n ARG 40 Cb 0.98 -1.61 0.08 0.00 -1.16 0.00 0.00 32.46 30.75 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 0.20 -1.35 -2.87 7.54 0.00 -0.72 -4.99 120.51 118.32 2dif n ALA 41 Ca 0.09 0.37 -0.34 0.00 0.00 0.00 0.00 53.44 53.55 2dif n ALA 41 Cb 0.47 -5.26 -0.05 0.00 0.00 0.00 0.00 19.45 14.61 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 3.57 -0.42 0.00 3.76 -0.27 -5.01 115.29 113.60 2dif s HIS 42 Ca 0.54 0.45 -0.22 0.00 -0.15 0.00 0.00 55.06 55.67 2dif s HIS 42 Cb -0.24 -1.89 0.02 0.00 1.11 0.00 0.00 32.58 31.58 2dif s HIS 42 CO 0.72 0.66 0.72 0.99 -0.85 0.00 0.00 174.74 176.98 2dif s THR 43 N -1.25 4.75 -0.03 1.30 2.01 -1.26 -4.27 115.64 116.88 2dif s THR 43 Ca 0.25 0.41 0.03 0.00 0.31 0.00 0.00 61.69 62.69 2dif s THR 43 Cb -0.13 -4.24 0.00 0.00 0.01 0.00 0.00 72.50 68.15 2dif s THR 43 CO 0.15 -0.59 -0.12 -0.69 -0.69 0.00 0.00 174.62 172.68 2dif s VAL 44 N 3.04 1.06 0.06 3.82 1.01 -1.26 0.70 120.40 128.83 2dif s VAL 44 Ca 0.27 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.78 2dif s VAL 44 Cb -0.13 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 2dif s VAL 44 CO 0.20 0.32 -0.13 0.68 0.00 0.00 0.00 175.10 176.17 2dif s VAL 45 N 0.15 0.97 0.49 2.92 -7.23 -0.01 -4.87 120.40 112.81 2dif s VAL 45 Ca -0.04 -1.20 -0.21 0.00 -1.81 0.00 0.00 61.98 58.72 2dif s VAL 45 Cb -0.10 -0.94 -0.07 0.00 0.56 0.00 0.00 36.38 35.83 2dif s VAL 45 CO 0.01 -0.23 1.15 -2.16 -0.31 0.00 0.00 175.10 173.56 2dif s PRO 46 N -1.60 3.59 -0.09 4.82 0.04 -1.26 -0.12 135.00 140.38 2dif s PRO 46 Ca -0.03 1.70 -0.04 0.00 0.04 0.00 0.00 61.00 62.67 2dif s PRO 46 Cb -0.10 -2.24 -0.01 0.00 0.04 0.00 0.00 34.50 32.19 2dif s PRO 46 CO 0.02 -0.67 -0.08 -0.07 0.04 0.00 0.00 177.00 176.23 2dif h LEU 47 N 1.69 0.00 -1.56 -3.56 4.07 -1.86 -3.36 115.31 110.73 2dif h LEU 47 Ca -0.50 0.00 0.47 0.00 0.08 0.00 0.00 57.88 57.93 2dif h LEU 47 Cb 1.25 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.91 2dif h LEU 47 CO 0.59 0.47 1.10 -0.24 -1.08 0.00 0.00 178.44 179.28 2dif n SER 48 N -3.95 0.05 0.00 -0.43 2.88 -1.26 -4.58 113.62 106.33 2dif n SER 48 Ca -0.03 0.94 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 2dif n SER 48 Cb 0.12 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 2dif n SER 48 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dif n GLY 49 N -1.70 2.46 1.41 0.46 0.00 -1.26 -5.17 105.19 101.39 2dif n GLY 49 Ca 0.37 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 2dif n GLY 49 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dif n PRO 50 N -0.52 -1.89 -1.65 1.61 -0.04 -1.26 -4.53 135.00 126.73 2dif n PRO 50 Ca 0.00 -0.70 -0.47 0.00 -0.04 0.00 0.00 63.50 62.28 2dif n PRO 50 Cb 0.00 -0.66 -0.04 0.00 -0.04 0.00 0.00 33.50 32.76 2dif n PRO 50 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dif n SER 51 N -3.76 2.63 -0.34 3.54 3.41 -1.26 -4.84 113.62 113.00 2dif n SER 51 Ca 0.06 1.11 0.08 0.00 -0.26 0.00 0.00 58.87 59.85 2dif n SER 51 Cb 0.24 -1.37 0.17 0.00 -0.26 0.00 0.00 64.21 62.99 2dif n SER 51 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2dif h SER 52 N 5.15 -0.78 0.00 4.04 0.02 -2.06 -3.54 113.55 116.38 2dif h SER 52 Ca -0.45 0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2dif h SER 52 Cb 1.28 0.57 0.00 0.00 0.14 0.00 0.00 62.40 64.39 2dif h SER 52 CO 0.83 -0.33 0.00 0.61 -1.14 0.00 0.00 176.83 176.80