#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 4.06 0.02 1.61 0.01 -1.26 -5.12 113.70 113.02 2dif s SER 2 Ca 0.00 0.20 -0.12 0.00 1.31 0.00 0.00 55.95 57.34 2dif s SER 2 Cb 0.00 -0.55 0.01 0.00 0.21 0.00 0.00 66.02 65.69 2dif s SER 2 CO 0.00 -2.10 0.26 -0.44 0.41 0.00 0.00 173.24 171.37 2dif s SER 3 N -4.71 -0.09 -0.14 2.44 0.01 -1.26 -5.09 113.70 104.87 2dif s SER 3 Ca 0.67 -0.14 -0.15 0.00 1.31 0.00 0.00 55.95 57.64 2dif s SER 3 Cb -0.07 0.31 -0.13 0.00 0.21 0.00 0.00 66.02 66.34 2dif s SER 3 CO 0.48 -0.51 0.29 1.23 0.41 0.00 0.00 173.24 175.14 2dif h GLY 4 N 3.63 0.00 -4.01 3.44 0.00 -1.99 -3.42 103.07 100.71 2dif h GLY 4 Ca -0.31 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.41 2dif h GLY 4 CO 0.44 0.00 -0.59 -1.26 0.00 0.00 0.00 176.54 175.13 2dif n SER 5 N -4.65 -1.58 -4.39 0.19 2.88 -1.26 -0.97 113.62 103.85 2dif n SER 5 Ca -0.09 0.86 -0.37 0.00 -1.33 0.00 0.00 58.87 57.94 2dif n SER 5 Cb 0.31 -1.04 -0.09 0.00 -0.75 0.00 0.00 64.21 62.65 2dif n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dif n SER 6 N 1.58 -0.74 0.00 -3.46 3.41 -1.26 -4.88 113.62 108.27 2dif n SER 6 Ca 0.11 -1.23 0.00 0.00 -0.26 0.00 0.00 58.87 57.50 2dif n SER 6 Cb 0.40 -1.55 0.00 0.00 -0.26 0.00 0.00 64.21 62.80 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 -1.62 2.78 3.37 5.00 0.00 -0.14 -5.12 105.19 109.46 2dif n GLY 7 Ca -0.05 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.61 2dif n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dif s GLU 8 N 4.64 1.50 -0.04 1.61 8.01 -1.26 -5.13 118.70 128.02 2dif s GLU 8 Ca 0.00 -1.27 -0.01 0.00 0.01 0.00 0.00 54.97 53.69 2dif s GLU 8 Cb 0.00 -1.90 0.03 0.00 -4.31 0.00 0.00 34.13 27.95 2dif s GLU 8 CO 0.00 0.46 0.04 -1.12 0.01 0.00 0.00 175.26 174.65 2dif s SER 9 N -1.82 1.05 0.02 -0.19 0.01 -1.26 -5.10 113.70 106.41 2dif s SER 9 Ca 0.13 0.03 0.01 0.00 1.31 0.00 0.00 55.95 57.44 2dif s SER 9 Cb -0.10 -0.20 -0.02 0.00 0.21 0.00 0.00 66.02 65.91 2dif s SER 9 CO 0.05 -0.21 -0.05 -0.76 0.41 0.00 0.00 173.24 172.68 2dif s LEU 10 N 1.91 2.19 0.26 2.44 1.43 -1.26 -2.49 118.68 123.16 2dif s LEU 10 Ca 0.02 -0.41 -0.30 0.00 -1.03 0.00 0.00 54.13 52.40 2dif s LEU 10 Cb -0.12 -0.06 -0.11 0.00 0.03 0.00 0.00 46.19 45.92 2dif s LEU 10 CO -0.03 -0.18 1.58 0.00 0.23 0.00 0.00 176.35 177.95 2dif n PRO 12 N 2.70 0.42 0.00 0.00 -0.04 -1.26 0.45 135.00 137.27 2dif n PRO 12 Ca 0.10 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2dif n PRO 12 Cb 0.38 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.07 0.00 0.11 0.54 -0.06 -1.26 -4.80 117.38 110.84 2dif n GLN 13 Ca 0.10 0.00 0.12 0.00 -2.00 0.00 0.00 57.00 55.22 2dif n GLN 13 Cb 0.07 -0.40 0.06 0.00 -4.06 0.00 0.00 30.24 25.91 2dif n GLN 13 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 2dif h HIS 14 N 0.00 0.00 -6.39 3.69 3.86 -1.96 -3.48 115.15 110.87 2dif h HIS 14 Ca 0.00 0.00 -0.49 0.00 -1.16 0.00 0.00 60.37 58.72 2dif h HIS 14 Cb 0.70 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.10 2dif h HIS 14 CO 0.00 0.00 -0.77 0.72 0.86 0.00 0.00 177.93 178.74 2dif n HIS 15 N -2.63 -2.21 -4.28 2.45 8.25 0.17 -4.87 115.22 112.10 2dif n HIS 15 Ca 0.01 0.89 -0.28 0.00 -0.26 0.00 0.00 57.72 58.08 2dif n HIS 15 Cb 0.53 -3.78 -0.10 0.00 1.12 0.00 0.00 29.99 27.75 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 -6.69 1.98 -0.03 -0.41 2.02 -1.26 -4.69 118.70 109.63 2dif s GLU 16 Ca 0.69 -1.20 -0.36 0.00 0.02 0.00 0.00 54.97 54.11 2dif s GLU 16 Cb -0.35 -2.17 -0.15 0.00 0.10 0.00 0.00 34.13 31.57 2dif s GLU 16 CO 0.85 0.46 1.63 0.00 0.02 0.00 0.00 175.26 178.22 2dif n ALA 17 N 0.39 0.26 -2.80 5.21 0.00 -1.26 -2.30 120.51 120.01 2dif n ALA 17 Ca -0.13 0.41 -0.43 0.00 0.00 0.00 0.00 53.44 53.30 2dif n ALA 17 Cb 0.54 -2.29 -0.03 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 2.21 4.45 -0.10 0.00 1.43 -1.04 -4.33 118.68 121.30 2dif s LEU 18 Ca 0.88 -1.70 0.16 0.00 -1.03 0.00 0.00 54.13 52.44 2dif s LEU 18 Cb -0.85 -2.46 0.62 0.00 0.03 0.00 0.00 46.19 43.54 2dif s LEU 18 CO 0.50 -1.27 1.51 -0.24 0.23 0.00 0.00 176.35 177.09 2dif n SER 19 N 7.47 4.16 -4.17 2.29 2.88 -1.26 -4.86 113.62 120.13 2dif n SER 19 Ca 0.23 -2.37 -0.11 0.00 -1.33 0.00 0.00 58.87 55.29 2dif n SER 19 Cb 0.49 -0.53 -0.10 0.00 -0.75 0.00 0.00 64.21 63.32 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 -1.63 1.57 -0.21 2.46 1.43 -1.22 -3.17 118.68 117.90 2dif s LEU 20 Ca 0.44 -1.27 -0.08 0.00 -1.03 0.00 0.00 54.13 52.19 2dif s LEU 20 Cb 0.28 0.31 0.10 0.00 0.03 0.00 0.00 46.19 46.91 2dif s LEU 20 CO 0.22 -0.76 0.46 0.12 0.23 0.00 0.00 176.35 176.61 2dif s PHE 21 N -4.07 -0.88 -0.13 0.29 5.36 -0.27 -2.96 117.98 115.33 2dif s PHE 21 Ca 0.30 1.65 -0.28 0.00 -0.96 0.00 0.00 56.93 57.64 2dif s PHE 21 Cb 0.07 0.39 -0.01 0.00 -0.34 0.00 0.00 43.02 43.13 2dif s PHE 21 CO 0.06 -0.51 0.95 0.00 -1.46 0.00 0.00 175.22 174.26 2dif h TYR 23 N 7.19 -0.51 -0.64 0.00 0.05 -0.82 -0.28 116.97 121.97 2dif h TYR 23 Ca -0.30 -0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.53 2dif h TYR 23 Cb 1.14 0.17 -0.08 0.00 1.01 0.00 0.00 36.73 38.97 2dif h TYR 23 CO 0.72 -0.31 -0.38 -1.91 -1.05 0.00 0.00 178.16 175.22 2dif n GLU 24 N -4.49 -0.28 0.02 4.88 4.07 -1.26 0.55 120.64 124.13 2dif n GLU 24 Ca -0.07 1.31 0.03 0.00 -0.06 0.00 0.00 57.16 58.37 2dif n GLU 24 Cb 0.22 -1.93 0.40 0.00 -0.06 0.00 0.00 31.44 30.07 2dif n GLU 24 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 2dif h ASP 25 N 0.00 0.43 -1.06 4.31 5.19 -1.90 -3.46 116.42 119.93 2dif h ASP 25 Ca 0.10 -0.03 -0.13 0.00 -0.62 0.00 0.00 57.03 56.35 2dif h ASP 25 Cb 0.26 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.66 2dif h ASP 25 CO -0.60 0.38 -0.17 1.67 -3.12 0.00 0.00 179.24 177.40 2dif n GLN 26 N -4.42 -0.68 -4.28 3.56 -0.06 0.19 -5.04 117.38 106.65 2dif n GLN 26 Ca 0.02 0.31 -0.15 0.00 -2.00 0.00 0.00 57.00 55.18 2dif n GLN 26 Cb 0.12 -4.13 -0.10 0.00 -4.06 0.00 0.00 30.24 22.07 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 -4.41 1.24 -0.07 3.69 -1.05 -1.05 -5.01 118.70 112.04 2dif s GLU 27 Ca 0.01 -1.62 -0.17 0.00 -0.15 0.00 0.00 54.97 53.05 2dif s GLU 27 Cb -0.01 -0.38 -0.05 0.00 -0.44 0.00 0.00 34.13 33.25 2dif s GLU 27 CO 0.02 -0.15 0.44 0.00 0.95 0.00 0.00 175.26 176.52 2dif s ALA 28 N -3.60 3.57 0.26 -0.84 0.00 -1.26 -1.68 121.76 118.21 2dif s ALA 28 Ca 0.28 -0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.05 2dif s ALA 28 Cb 0.06 -2.53 -0.05 0.00 0.00 0.00 0.00 23.12 20.60 2dif s ALA 28 CO 0.07 0.20 0.04 0.14 0.00 0.00 0.00 175.76 176.22 2dif s VAL 29 N -0.09 0.93 0.60 0.00 -7.23 -1.15 -4.95 120.40 108.51 2dif s VAL 29 Ca 0.24 -2.01 0.05 0.00 -1.81 0.00 0.00 61.98 58.45 2dif s VAL 29 Cb -0.16 -2.54 0.09 0.00 0.56 0.00 0.00 36.38 34.33 2dif s VAL 29 CO 0.11 -0.15 0.83 0.00 -0.31 0.00 0.00 175.10 175.58 2dif h LEU 31 N -0.00 0.91 0.69 0.00 -0.00 -1.91 -2.16 115.31 112.83 2dif h LEU 31 Ca -0.34 0.01 -0.03 0.00 -0.00 0.00 0.00 57.88 57.51 2dif h LEU 31 Cb 1.28 -0.19 0.01 0.00 -0.00 0.00 0.00 40.66 41.76 2dif h LEU 31 CO 0.42 0.59 -0.33 0.40 -0.00 0.00 0.00 178.44 179.52 2dif h ILE 32 N 1.04 0.00 -0.87 0.15 2.04 -1.94 -3.09 117.51 114.84 2dif h ILE 32 Ca 0.39 -0.08 0.23 0.00 1.00 0.00 0.00 64.86 66.40 2dif h ILE 32 Cb 0.19 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.13 2dif h ILE 32 CO -0.15 0.00 0.22 0.00 0.00 0.00 0.00 178.15 178.22 2dif h ALA 34 N 1.77 0.36 -0.80 0.00 0.00 -1.31 -0.00 119.26 119.28 2dif h ALA 34 Ca 0.54 0.30 0.11 0.00 0.00 0.00 0.00 54.91 55.86 2dif h ALA 34 Cb 1.07 0.80 -0.12 0.00 0.00 0.00 0.00 17.79 19.54 2dif h ALA 34 CO -0.65 -0.51 -0.34 -0.89 0.00 0.00 0.00 179.25 176.86 2dif n ILE 35 N -5.52 -0.45 -0.03 0.00 5.41 -0.05 0.50 119.36 119.23 2dif n ILE 35 Ca 0.11 1.89 -0.11 0.00 1.00 0.00 0.00 62.75 65.64 2dif n ILE 35 Cb 0.42 -2.47 -0.05 0.00 -0.71 0.00 0.00 39.64 36.83 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 0.18 0.34 4.38 0.02 -1.14 -2.10 113.55 115.22 2dif h SER 36 Ca 0.25 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2dif h SER 36 Cb 0.45 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 2dif h SER 36 CO -0.79 0.24 -0.28 0.45 -1.14 0.00 0.00 176.83 175.31 2dif h HIS 37 N 0.11 -0.77 -1.19 3.45 3.86 0.39 0.11 115.15 121.11 2dif h HIS 37 Ca 0.05 0.00 0.34 0.00 -1.16 0.00 0.00 60.37 59.60 2dif h HIS 37 Cb 0.11 0.29 -0.08 0.00 1.06 0.00 0.00 27.41 28.78 2dif h HIS 37 CO -0.03 -0.39 0.81 1.79 0.86 0.00 0.00 177.93 180.97 2dif h THR 38 N -0.60 0.38 -0.11 2.45 1.35 -0.23 0.61 112.91 116.76 2dif h THR 38 Ca -0.04 -0.06 -0.21 0.00 -0.55 0.00 0.00 66.41 65.54 2dif h THR 38 Cb 0.51 0.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.11 2dif h THR 38 CO -0.00 0.03 -0.78 -0.74 -0.25 0.00 0.00 175.52 173.78 2dif h HIS 39 N 0.18 0.86 -0.11 4.73 6.17 -0.75 -3.00 115.15 123.23 2dif h HIS 39 Ca 0.65 -0.39 0.00 0.00 0.71 0.00 0.00 60.37 61.34 2dif h HIS 39 Cb 2.09 -0.13 0.00 0.00 2.52 0.00 0.00 27.41 31.89 2dif h HIS 39 CO -0.00 1.19 0.00 0.54 0.71 0.00 0.00 177.93 180.37 2dif n ARG 40 N -3.89 1.59 -3.46 5.26 1.74 0.20 -4.85 116.66 113.26 2dif n ARG 40 Ca -0.06 -0.55 -0.20 0.00 -0.77 0.00 0.00 57.85 56.27 2dif n ARG 40 Cb 0.74 -1.49 0.08 0.00 -1.02 0.00 0.00 32.46 30.77 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 0.05 -1.37 -2.78 7.54 0.00 -0.78 -4.99 120.51 118.17 2dif n ALA 41 Ca 0.05 0.26 -0.37 0.00 0.00 0.00 0.00 53.44 53.39 2dif n ALA 41 Cb 0.33 -4.38 -0.06 0.00 0.00 0.00 0.00 19.45 15.35 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 -3.30 3.62 -0.15 0.00 3.76 -0.41 -5.00 115.29 113.80 2dif s HIS 42 Ca 0.40 0.62 -0.29 0.00 -0.15 0.00 0.00 55.06 55.64 2dif s HIS 42 Cb -0.18 -2.01 -0.01 0.00 1.11 0.00 0.00 32.58 31.49 2dif s HIS 42 CO 0.67 0.69 1.07 0.99 -0.85 0.00 0.00 174.74 177.31 2dif s THR 43 N -1.11 4.63 -0.03 1.30 2.01 -1.26 -4.26 115.64 116.92 2dif s THR 43 Ca 0.20 1.93 -0.02 0.00 0.31 0.00 0.00 61.69 64.11 2dif s THR 43 Cb -0.13 -4.25 0.01 0.00 0.01 0.00 0.00 72.50 68.15 2dif s THR 43 CO 0.09 -0.08 0.07 -0.69 -0.69 0.00 0.00 174.62 173.31 2dif s VAL 44 N 2.64 -0.02 0.02 3.82 1.01 -1.26 -0.12 120.40 126.49 2dif s VAL 44 Ca 0.48 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.53 2dif s VAL 44 Cb -0.18 -0.11 -0.02 0.00 0.00 0.00 0.00 36.38 36.07 2dif s VAL 44 CO 0.14 0.03 -0.04 0.68 0.00 0.00 0.00 175.10 175.90 2dif s VAL 45 N 0.38 0.19 0.22 2.92 -7.23 -0.78 -4.91 120.40 111.18 2dif s VAL 45 Ca -0.03 -0.86 -0.30 0.00 -1.81 0.00 0.00 61.98 58.98 2dif s VAL 45 Cb -0.04 -0.31 -0.09 0.00 0.56 0.00 0.00 36.38 36.50 2dif s VAL 45 CO -0.01 -0.43 1.29 -2.16 -0.31 0.00 0.00 175.10 173.47 2dif s PRO 46 N -1.35 4.41 -0.01 4.82 0.04 -1.26 -1.11 135.00 140.53 2dif s PRO 46 Ca -0.13 2.05 -0.21 0.00 0.04 0.00 0.00 61.00 62.74 2dif s PRO 46 Cb -0.09 -3.18 -0.12 0.00 0.04 0.00 0.00 34.50 31.15 2dif s PRO 46 CO -0.01 -0.21 0.86 -0.07 0.04 0.00 0.00 177.00 177.62 2dif h LEU 47 N 5.06 -0.60 -3.02 -3.56 4.07 -1.85 -3.22 115.31 112.19 2dif h LEU 47 Ca -0.45 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.25 2dif h LEU 47 Cb 1.22 0.16 -0.16 0.00 1.08 0.00 0.00 40.66 42.95 2dif h LEU 47 CO 0.75 -0.19 0.33 -0.24 -1.08 0.00 0.00 178.44 178.01 2dif n SER 48 N -5.25 3.38 -1.38 -0.43 2.88 -1.26 -5.02 113.62 106.55 2dif n SER 48 Ca -0.09 -2.82 0.18 0.00 -1.33 0.00 0.00 58.87 54.81 2dif n SER 48 Cb 0.29 -0.67 -0.06 0.00 -0.75 0.00 0.00 64.21 63.02 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 -0.34 -2.20 3.77 0.46 0.00 -1.22 -4.83 105.19 100.84 2dif n GLY 49 Ca 0.31 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.88 2.95 0.35 1.61 0.04 -1.26 -4.95 135.00 130.87 2dif s PRO 50 Ca 0.00 1.45 0.04 0.00 0.04 0.00 0.00 61.00 62.53 2dif s PRO 50 Cb 0.00 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 2dif s PRO 50 CO 0.00 -1.14 0.52 -1.54 0.04 0.00 0.00 177.00 174.88 2dif s SER 51 N -2.36 6.02 0.51 6.66 1.04 -1.26 -5.09 113.70 119.22 2dif s SER 51 Ca 0.69 0.06 -0.20 0.00 0.48 0.00 0.00 55.95 56.98 2dif s SER 51 Cb -0.21 -1.51 -0.07 0.00 0.10 0.00 0.00 66.02 64.32 2dif s SER 51 CO 0.38 -0.44 1.05 -0.55 0.98 0.00 0.00 173.24 174.66 2dif s SER 52 N -4.14 6.19 0.00 7.02 0.15 -1.26 -5.31 113.70 116.35 2dif s SER 52 Ca 0.44 1.95 0.00 0.00 0.70 0.00 0.00 55.95 59.03 2dif s SER 52 Cb -0.10 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 2dif s SER 52 CO 0.33 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.49