#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 6.47 -1.11 1.61 0.15 -1.26 -5.00 113.70 114.56 2dif s SER 2 Ca 0.00 0.75 -0.22 0.00 0.70 0.00 0.00 55.95 57.18 2dif s SER 2 Cb 0.00 -2.16 0.03 0.00 -1.71 0.00 0.00 66.02 62.18 2dif s SER 2 CO 0.00 -0.18 1.66 -0.44 1.20 0.00 0.00 173.24 175.48 2dif s SER 3 N -3.04 6.27 0.00 5.45 0.01 -1.26 -3.70 113.70 117.43 2dif s SER 3 Ca 0.44 -1.69 0.00 0.00 1.31 0.00 0.00 55.95 56.01 2dif s SER 3 Cb -0.11 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2dif s SER 3 CO 0.29 -1.73 0.00 0.61 0.41 0.00 0.00 173.24 172.81 2dif n GLY 4 N 6.29 -0.31 1.98 3.44 0.00 -1.26 -4.98 105.19 110.34 2dif n GLY 4 Ca 0.40 -0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.26 2dif n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dif n SER 5 N 0.00 6.18 -4.53 1.61 7.64 -1.24 -4.84 113.62 118.43 2dif n SER 5 Ca 0.00 -2.94 -0.42 0.00 1.01 0.00 0.00 58.87 56.52 2dif n SER 5 Cb 0.00 -1.14 -0.02 0.00 -1.01 0.00 0.00 64.21 62.03 2dif n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dif s SER 6 N 0.67 6.61 0.00 6.43 0.15 -1.26 -4.96 113.70 121.34 2dif s SER 6 Ca 0.36 -1.81 0.00 0.00 0.70 0.00 0.00 55.95 55.20 2dif s SER 6 Cb 0.25 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 2dif s SER 6 CO -0.05 -1.32 0.00 0.61 1.20 0.00 0.00 173.24 173.68 2dif n GLY 7 N 6.21 2.45 0.07 9.45 0.00 -1.26 -5.06 105.19 117.05 2dif n GLY 7 Ca 0.33 -2.04 -0.06 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.03 1.13 -3.54 1.61 4.71 -1.26 -5.03 120.64 118.23 2dif n GLU 8 Ca 0.00 -0.03 -0.16 0.00 -0.01 0.00 0.00 57.16 56.96 2dif n GLU 8 Cb 0.00 -1.43 -0.06 0.00 -1.01 0.00 0.00 31.44 28.94 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 -4.92 -0.61 0.10 1.62 0.01 -1.26 -5.11 113.70 103.53 2dif s SER 9 Ca -0.08 0.74 -0.09 0.00 1.31 0.00 0.00 55.95 57.83 2dif s SER 9 Cb 0.06 0.60 0.00 0.00 0.21 0.00 0.00 66.02 66.89 2dif s SER 9 CO 0.70 -0.52 0.22 -0.76 0.41 0.00 0.00 173.24 173.30 2dif s LEU 10 N -0.98 1.25 0.17 2.44 1.43 -1.26 -3.06 118.68 118.67 2dif s LEU 10 Ca -0.08 -0.66 -0.30 0.00 -1.03 0.00 0.00 54.13 52.06 2dif s LEU 10 Cb -0.01 1.14 -0.08 0.00 0.03 0.00 0.00 46.19 47.27 2dif s LEU 10 CO 0.07 -0.77 1.25 0.00 0.23 0.00 0.00 176.35 177.13 2dif n PRO 12 N 2.77 0.49 0.00 0.00 -0.04 -1.26 0.93 135.00 137.89 2dif n PRO 12 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 2dif n PRO 12 Cb 0.44 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 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 -0.82 0.00 0.01 0.54 -0.06 -1.26 -4.84 117.38 110.96 2dif n GLN 13 Ca 0.08 0.00 0.11 0.00 -2.00 0.00 0.00 57.00 55.19 2dif n GLN 13 Cb 0.03 -0.65 -0.12 0.00 -4.06 0.00 0.00 30.24 25.45 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 -2.01 0.20 -3.79 3.69 8.25 -1.21 -4.99 115.22 115.36 2dif n HIS 14 Ca 0.00 0.06 -0.27 0.00 -0.26 0.00 0.00 57.72 57.25 2dif n HIS 14 Cb 0.21 -0.54 0.04 0.00 1.12 0.00 0.00 29.99 30.82 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 -2.26 -2.40 -4.78 4.41 8.25 0.26 -4.84 115.22 113.86 2dif n HIS 15 Ca -0.02 0.93 -0.31 0.00 -0.26 0.00 0.00 57.72 58.06 2dif n HIS 15 Cb 0.54 -4.35 -0.13 0.00 1.12 0.00 0.00 29.99 27.16 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 -6.41 1.99 -0.30 -0.41 2.02 -1.26 -4.64 118.70 109.70 2dif s GLU 16 Ca 0.53 -1.02 -0.38 0.00 0.02 0.00 0.00 54.97 54.13 2dif s GLU 16 Cb -0.26 -2.12 -0.14 0.00 0.10 0.00 0.00 34.13 31.72 2dif s GLU 16 CO 0.80 0.53 1.95 0.00 0.02 0.00 0.00 175.26 178.56 2dif n ALA 17 N 1.69 0.42 -2.18 5.21 0.00 -1.26 -1.86 120.51 122.54 2dif n ALA 17 Ca -0.16 0.20 -0.43 0.00 0.00 0.00 0.00 53.44 53.05 2dif n ALA 17 Cb 0.52 -2.36 -0.02 0.00 0.00 0.00 0.00 19.45 17.58 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 5.15 3.61 -0.02 0.00 1.43 -1.17 -4.68 118.68 123.00 2dif s LEU 18 Ca 1.03 1.16 0.12 0.00 -1.03 0.00 0.00 54.13 55.41 2dif s LEU 18 Cb -0.98 -3.53 -0.18 0.00 0.03 0.00 0.00 46.19 41.53 2dif s LEU 18 CO 0.58 -1.50 0.28 -1.20 0.23 0.00 0.00 176.35 174.74 2dif n SER 19 N 9.28 2.17 -4.90 2.29 7.64 -1.25 -4.96 113.62 123.89 2dif n SER 19 Ca 0.19 -0.06 -0.22 0.00 1.01 0.00 0.00 58.87 59.79 2dif n SER 19 Cb 0.47 1.50 -0.01 0.00 -1.01 0.00 0.00 64.21 65.16 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 -3.73 3.15 -0.18 -3.43 1.43 -1.16 -0.30 118.68 114.46 2dif s LEU 20 Ca -0.04 -0.91 -0.07 0.00 -1.03 0.00 0.00 54.13 52.08 2dif s LEU 20 Cb 0.08 -1.74 0.08 0.00 0.03 0.00 0.00 46.19 44.64 2dif s LEU 20 CO 0.49 -0.88 0.40 0.12 0.23 0.00 0.00 176.35 176.71 2dif s PHE 21 N -2.59 -0.72 -0.44 0.29 5.36 -0.45 -2.84 117.98 116.59 2dif s PHE 21 Ca 0.46 1.42 -0.25 0.00 -0.96 0.00 0.00 56.93 57.59 2dif s PHE 21 Cb -0.03 0.26 0.02 0.00 -0.34 0.00 0.00 43.02 42.93 2dif s PHE 21 CO 0.27 -0.44 0.92 0.00 -1.46 0.00 0.00 175.22 174.51 2dif h TYR 23 N 8.96 -0.44 -0.29 0.00 0.05 -1.82 0.55 116.97 123.99 2dif h TYR 23 Ca -0.24 -0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.56 2dif h TYR 23 Cb 1.08 0.14 -0.03 0.00 1.01 0.00 0.00 36.73 38.93 2dif h TYR 23 CO 0.86 -0.27 -0.17 -1.91 -1.05 0.00 0.00 178.16 175.62 2dif n GLU 24 N -3.27 -0.13 0.28 4.88 2.13 -1.26 0.24 120.64 123.51 2dif n GLU 24 Ca -0.06 0.91 0.16 0.00 0.66 0.00 0.00 57.16 58.83 2dif n GLU 24 Cb 0.19 -1.35 0.83 0.00 0.27 0.00 0.00 31.44 31.37 2dif n GLU 24 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2dif h ASP 25 N 0.00 0.00 -4.45 4.31 3.32 -1.92 -3.46 116.42 114.22 2dif h ASP 25 Ca 0.05 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.73 2dif h ASP 25 Cb 0.12 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.75 2dif h ASP 25 CO -0.27 0.07 -0.57 0.00 -1.72 0.00 0.00 179.24 176.75 2dif n GLN 26 N -3.39 -5.27 -3.87 3.56 1.13 0.65 -5.00 117.38 105.18 2dif n GLN 26 Ca -0.02 0.80 -0.12 0.00 -1.94 0.00 0.00 57.00 55.72 2dif n GLN 26 Cb 0.22 -5.50 -0.14 0.00 0.11 0.00 0.00 30.24 24.92 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 -5.77 0.01 0.43 -1.09 -1.05 -0.79 -5.00 118.70 105.44 2dif s GLU 27 Ca 0.35 0.01 -0.26 0.00 -0.15 0.00 0.00 54.97 54.92 2dif s GLU 27 Cb -0.15 -0.03 -0.08 0.00 -0.44 0.00 0.00 34.13 33.42 2dif s GLU 27 CO 0.43 -0.01 1.36 0.00 0.95 0.00 0.00 175.26 178.00 2dif s ALA 28 N 0.06 3.25 0.04 -0.84 0.00 -1.26 -2.09 121.76 120.91 2dif s ALA 28 Ca -0.00 1.34 -0.02 0.00 0.00 0.00 0.00 51.96 53.27 2dif s ALA 28 Cb -0.01 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 2dif s ALA 28 CO -0.00 -1.00 0.02 0.14 0.00 0.00 0.00 175.76 174.92 2dif s VAL 29 N -1.24 0.16 0.81 0.00 -7.23 -1.13 -4.86 120.40 106.91 2dif s VAL 29 Ca 0.59 -1.29 -0.10 0.00 -1.81 0.00 0.00 61.98 59.37 2dif s VAL 29 Cb -0.41 -0.93 0.12 0.00 0.56 0.00 0.00 36.38 35.72 2dif s VAL 29 CO 0.52 -0.71 1.14 0.00 -0.31 0.00 0.00 175.10 175.74 2dif h LEU 31 N -1.01 -1.27 -0.75 0.00 5.85 -1.92 -2.49 115.31 113.72 2dif h LEU 31 Ca -0.44 0.11 0.14 0.00 0.84 0.00 0.00 57.88 58.53 2dif h LEU 31 Cb 1.29 0.43 -0.14 0.00 0.37 0.00 0.00 40.66 42.61 2dif h LEU 31 CO 0.52 -0.58 -0.29 0.40 -0.34 0.00 0.00 178.44 178.15 2dif h ILE 32 N -0.85 0.15 -0.25 4.05 2.04 -1.99 -1.60 117.51 119.06 2dif h ILE 32 Ca -0.05 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.85 2dif h ILE 32 Cb 0.76 0.15 -0.06 0.00 -0.74 0.00 0.00 36.82 36.93 2dif h ILE 32 CO -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 178.15 177.62 2dif n ALA 34 N -2.97 0.34 -0.38 0.00 0.00 -0.61 0.55 120.51 117.44 2dif n ALA 34 Ca -0.03 0.71 -0.02 0.00 0.00 0.00 0.00 53.44 54.09 2dif n ALA 34 Cb 0.27 -0.52 0.02 0.00 0.00 0.00 0.00 19.45 19.23 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 -4.87 -0.54 0.28 0.00 5.41 -0.29 0.67 119.36 120.03 2dif n ILE 35 Ca 0.16 2.31 -0.14 0.00 1.00 0.00 0.00 62.75 66.08 2dif n ILE 35 Cb 0.51 -3.03 -0.07 0.00 -0.71 0.00 0.00 39.64 36.34 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 -0.64 -0.12 4.38 0.87 -0.01 -3.04 113.55 115.00 2dif h SER 36 Ca 0.32 -0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.86 2dif h SER 36 Cb 0.57 0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.66 2dif h SER 36 CO -0.97 -0.25 -0.22 0.45 -0.53 0.00 0.00 176.83 175.31 2dif h HIS 37 N -1.10 -0.66 -0.95 2.24 3.86 -1.09 0.07 115.15 117.52 2dif h HIS 37 Ca -0.08 0.03 0.40 0.00 -1.16 0.00 0.00 60.37 59.56 2dif h HIS 37 Cb 0.63 0.31 -0.17 0.00 1.06 0.00 0.00 27.41 29.24 2dif h HIS 37 CO 0.01 -0.20 0.51 2.41 0.86 0.00 0.00 177.93 181.52 2dif n THR 38 N -3.74 -0.39 -0.30 2.45 -1.04 0.21 0.22 114.28 111.69 2dif n THR 38 Ca -0.02 1.91 -0.05 0.00 -2.04 0.00 0.00 64.05 63.85 2dif n THR 38 Cb 0.14 -3.10 0.07 0.00 -1.82 0.00 0.00 70.33 65.62 2dif n THR 38 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 2dif h HIS 39 N 0.00 1.16 -0.18 -1.42 6.17 -0.87 -2.03 115.15 117.98 2dif h HIS 39 Ca 0.80 -0.05 -0.09 0.00 0.71 0.00 0.00 60.37 61.74 2dif h HIS 39 Cb 2.12 -0.36 -0.05 0.00 2.52 0.00 0.00 27.41 31.64 2dif h HIS 39 CO -0.01 0.84 0.11 0.54 0.71 0.00 0.00 177.93 180.12 2dif n ARG 40 N -4.35 1.31 -3.22 5.26 5.12 0.58 -4.79 116.66 116.57 2dif n ARG 40 Ca 0.08 -0.58 -0.23 0.00 -1.93 0.00 0.00 57.85 55.18 2dif n ARG 40 Cb 0.13 -1.28 0.03 0.00 -1.16 0.00 0.00 32.46 30.18 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 0.18 -1.06 -2.67 7.54 0.00 -0.76 -4.95 120.51 118.78 2dif n ALA 41 Ca 0.11 0.26 -0.38 0.00 0.00 0.00 0.00 53.44 53.43 2dif n ALA 41 Cb 0.69 -3.97 -0.07 0.00 0.00 0.00 0.00 19.45 16.09 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 -3.16 3.38 0.29 0.00 3.76 -0.93 -4.98 115.29 113.64 2dif s HIS 42 Ca 0.38 0.62 -0.29 0.00 -0.15 0.00 0.00 55.06 55.62 2dif s HIS 42 Cb -0.18 -2.52 -0.10 0.00 1.11 0.00 0.00 32.58 30.89 2dif s HIS 42 CO 0.47 0.00 1.43 0.99 -0.85 0.00 0.00 174.74 176.79 2dif s THR 43 N 1.26 2.53 -0.16 1.30 2.01 -1.26 -3.78 115.64 117.55 2dif s THR 43 Ca 0.19 0.48 -0.08 0.00 0.31 0.00 0.00 61.69 62.59 2dif s THR 43 Cb -0.15 -3.30 0.06 0.00 0.01 0.00 0.00 72.50 69.12 2dif s THR 43 CO 0.08 0.09 0.37 -0.69 -0.69 0.00 0.00 174.62 173.77 2dif s VAL 44 N -0.40 -0.14 0.02 3.82 1.01 -1.26 -2.73 120.40 120.72 2dif s VAL 44 Ca 0.57 0.13 -0.00 0.00 0.00 0.00 0.00 61.98 62.67 2dif s VAL 44 Cb -0.43 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 2dif s VAL 44 CO 0.48 0.05 -0.02 0.68 0.00 0.00 0.00 175.10 176.29 2dif s VAL 45 N 1.60 0.11 0.19 2.92 -7.23 -1.12 -4.92 120.40 111.95 2dif s VAL 45 Ca -0.08 -0.93 -0.30 0.00 -1.81 0.00 0.00 61.98 58.86 2dif s VAL 45 Cb -0.10 -0.30 -0.09 0.00 0.56 0.00 0.00 36.38 36.46 2dif s VAL 45 CO -0.12 -0.51 1.31 -2.16 -0.31 0.00 0.00 175.10 173.31 2dif s PRO 46 N -1.53 4.39 -0.02 4.82 0.04 -1.26 -1.34 135.00 140.10 2dif s PRO 46 Ca -0.15 2.04 -0.07 0.00 0.04 0.00 0.00 61.00 62.86 2dif s PRO 46 Cb -0.09 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 2dif s PRO 46 CO -0.01 -0.26 0.49 -0.07 0.04 0.00 0.00 177.00 177.18 2dif h LEU 47 N 5.53 -0.20 -3.01 -3.56 4.07 -0.95 -3.30 115.31 113.90 2dif h LEU 47 Ca -0.44 0.01 -0.23 0.00 0.08 0.00 0.00 57.88 57.29 2dif h LEU 47 Cb 1.21 0.05 -0.12 0.00 1.08 0.00 0.00 40.66 42.89 2dif h LEU 47 CO 0.78 -0.01 0.29 -1.20 -1.08 0.00 0.00 178.44 177.22 2dif n SER 48 N -3.38 4.36 -4.76 -0.43 7.64 -1.26 -4.95 113.62 110.85 2dif n SER 48 Ca -0.03 -2.75 -0.34 0.00 1.01 0.00 0.00 58.87 56.76 2dif n SER 48 Cb 0.09 -0.79 0.05 0.00 -1.01 0.00 0.00 64.21 62.56 2dif n SER 48 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dif s GLY 49 N 0.23 2.28 0.17 0.23 0.00 -1.24 -4.97 107.32 104.02 2dif s GLY 49 Ca 0.24 0.68 -0.30 0.00 0.00 0.00 0.00 44.72 45.33 2dif s GLY 49 CO 0.03 1.05 1.32 2.56 0.00 0.00 0.00 173.10 178.05 2dif s PRO 50 N -3.92 4.38 -0.55 2.90 0.04 -1.26 -4.88 135.00 131.70 2dif s PRO 50 Ca 0.70 2.04 -0.31 0.00 0.04 0.00 0.00 61.00 63.47 2dif s PRO 50 Cb -0.23 -3.22 -0.12 0.00 0.04 0.00 0.00 34.50 30.97 2dif s PRO 50 CO 0.40 -0.29 2.39 0.45 0.04 0.00 0.00 177.00 179.99 2dif n SER 51 N 3.00 1.78 -3.64 6.66 2.88 -1.26 -4.86 113.62 118.19 2dif n SER 51 Ca 0.07 0.04 -0.09 0.00 -1.33 0.00 0.00 58.87 57.56 2dif n SER 51 Cb 0.43 -1.30 -0.07 0.00 -0.75 0.00 0.00 64.21 62.52 2dif n SER 51 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dif s SER 52 N 9.41 -0.45 0.00 -3.46 0.15 -1.26 -5.34 113.70 112.75 2dif s SER 52 Ca 1.12 0.87 0.12 0.00 0.70 0.00 0.00 55.95 58.76 2dif s SER 52 Cb -0.71 0.88 0.09 0.00 -1.71 0.00 0.00 66.02 64.57 2dif s SER 52 CO 0.41 -0.16 0.88 0.61 1.20 0.00 0.00 173.24 176.18