#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4m n ALA 25 N 0.00 -2.81 -1.84 6.98 0.00 -1.26 -5.01 120.51 116.56 3i4m n ALA 25 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 3i4m n ALA 25 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3i4m n ALA 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3i4m s THR 26 N 0.00 2.64 0.00 0.00 2.01 -1.26 -5.04 115.64 113.99 3i4m s THR 26 Ca 0.00 0.57 0.00 0.00 0.31 0.00 0.00 61.69 62.57 3i4m s THR 26 Cb 0.00 -3.37 0.00 0.00 0.01 0.00 0.00 72.50 69.14 3i4m s THR 26 CO 0.00 0.11 0.00 0.00 -0.69 0.00 0.00 174.62 174.04 3i4m n LEU 27 N 1.74 0.00 0.00 4.42 -0.00 -1.26 -5.01 117.00 116.89 3i4m n LEU 27 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.05 3i4m n LEU 27 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 3i4m n LEU 27 CO 0.60 0.00 0.00 1.17 -0.00 0.00 0.00 177.39 179.16 3i4m n LYS 28 N 0.00 0.00 -3.70 1.47 4.81 -1.26 -4.93 118.16 114.55 3i4m n LYS 28 Ca 0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.19 3i4m n LYS 28 Cb 0.00 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.06 3i4m n LYS 28 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3i4m s TYR 29 N -0.67 1.65 0.05 5.64 4.12 -1.26 -3.79 117.35 123.09 3i4m s TYR 29 Ca 0.00 -0.80 -0.18 0.00 0.02 0.00 0.00 57.07 56.12 3i4m s TYR 29 Cb 0.00 -1.99 0.04 0.00 -1.52 0.00 0.00 41.96 38.49 3i4m s TYR 29 CO 0.00 -0.59 0.41 0.42 0.02 0.00 0.00 175.55 175.81 3i4m s ILE 30 N -2.73 0.06 0.10 2.71 1.01 -0.05 -1.68 121.20 120.62 3i4m s ILE 30 Ca 0.40 -0.48 -0.23 0.00 0.00 0.00 0.00 60.65 60.35 3i4m s ILE 30 Cb -0.03 -0.97 -0.07 0.00 0.01 0.00 0.00 42.46 41.40 3i4m s ILE 30 CO 0.25 -0.27 0.68 0.00 0.00 0.00 0.00 174.94 175.60 3i4m h ALA 32 N 4.65 0.23 0.00 0.00 0.00 -1.93 -2.37 119.26 119.83 3i4m h ALA 32 Ca -0.48 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3i4m h ALA 32 Cb 1.21 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3i4m h ALA 32 CO 0.66 -0.41 -0.37 0.39 0.00 0.00 0.00 179.25 179.52 3i4m n GLU 33 N -5.14 0.22 0.00 0.00 4.71 -1.26 -4.42 120.64 114.75 3i4m n GLU 33 Ca -0.01 0.16 0.00 0.00 -0.01 0.00 0.00 57.16 57.30 3i4m n GLU 33 Cb 0.13 -0.97 0.00 0.00 -1.01 0.00 0.00 31.44 29.59 3i4m n GLU 33 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3i4m n SER 35 N 0.61 0.13 -3.38 0.00 3.41 -0.89 -4.64 113.62 108.86 3i4m n SER 35 Ca 0.00 0.12 0.02 0.00 -0.26 0.00 0.00 58.87 58.75 3i4m n SER 35 Cb 0.29 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 3i4m n SER 35 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3i4m s SER 36 N 0.72 -0.74 0.10 4.04 1.04 -1.26 -4.84 113.70 112.76 3i4m s SER 36 Ca 0.17 0.85 -0.11 0.00 0.48 0.00 0.00 55.95 57.34 3i4m s SER 36 Cb -0.22 1.77 -0.07 0.00 0.10 0.00 0.00 66.02 67.61 3i4m s SER 36 CO 0.10 -0.14 0.18 0.29 0.98 0.00 0.00 173.24 174.65 3i4m n LYS 37 N 5.17 0.00 0.00 4.02 5.02 -1.26 -4.27 118.16 126.85 3i4m n LYS 37 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 3i4m n LYS 37 Cb 0.52 -0.41 0.00 0.00 -0.02 0.00 0.00 35.03 35.12 3i4m n LYS 37 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3i4m n LEU 38 N 0.86 0.00 0.00 -0.35 7.94 -0.68 -4.95 117.00 119.82 3i4m n LEU 38 Ca 0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.97 3i4m n LEU 38 Cb 0.12 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.07 3i4m n LEU 38 CO 0.23 0.00 0.00 -0.24 -1.11 0.00 0.00 177.39 176.27 3i4m n SER 39 N 0.00 0.00 0.00 1.96 2.88 -1.26 -4.63 113.62 112.57 3i4m n SER 39 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3i4m n SER 39 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3i4m n SER 39 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3i4m n LEU 40 N -0.96 0.00 0.00 2.46 4.77 -1.26 -4.95 117.00 117.06 3i4m n LEU 40 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3i4m n LEU 40 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3i4m n LEU 40 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.39 174.52 3i4m n SER 41 N 0.00 0.00 0.00 -1.43 3.41 -1.26 -5.09 113.62 109.25 3i4m n SER 41 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3i4m n SER 41 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3i4m n SER 41 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i4m n ARG 42 N -0.08 0.00 -0.16 4.33 1.74 -1.26 -1.23 116.66 119.99 3i4m n ARG 42 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i4m n ARG 42 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3i4m n ARG 42 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3i4m n THR 43 N 0.00 0.00 0.65 0.55 -1.04 -1.26 -4.80 114.28 108.38 3i4m n THR 43 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3i4m n THR 43 Cb 0.00 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.43 3i4m n THR 43 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3i4m n ASP 44 N 0.00 1.31 0.00 8.00 8.00 -0.37 -4.93 116.55 128.56 3i4m n ASP 44 Ca 0.00 -1.30 0.00 0.00 0.71 0.00 0.00 54.79 54.20 3i4m n ASP 44 Cb 0.00 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 3i4m n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i4m n ALA 45 N 0.43 0.00 0.00 2.24 0.00 -1.26 -4.87 120.51 117.05 3i4m n ALA 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i4m n ALA 45 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 3i4m n ALA 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i4m n VAL 46 N 0.00 0.00 -0.29 0.00 0.31 -1.26 -4.97 118.33 112.11 3i4m n VAL 46 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.03 3i4m n VAL 46 Cb 0.00 0.00 0.29 0.00 -0.91 0.00 0.00 33.84 33.22 3i4m n VAL 46 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i4m n ARG 47 N -0.92 -4.28 -3.71 5.55 1.74 -1.26 -4.74 116.66 109.04 3i4m n ARG 47 Ca 0.00 -1.26 -0.27 0.00 -0.77 0.00 0.00 57.85 55.55 3i4m n ARG 47 Cb 0.00 -1.96 -0.03 0.00 -1.02 0.00 0.00 32.46 29.45 3i4m n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i4m n LYS 49 N -0.67 1.66 0.00 0.00 4.76 -1.26 -4.03 118.16 118.62 3i4m n LYS 49 Ca -0.05 -1.23 0.00 0.00 -2.87 0.00 0.00 58.31 54.16 3i4m n LYS 49 Cb 0.54 -2.33 0.00 0.00 -1.84 0.00 0.00 35.03 31.40 3i4m n LYS 49 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3i4m n ASP 50 N 4.27 0.00 -4.68 4.39 2.03 -1.26 -5.11 116.55 116.19 3i4m n ASP 50 Ca 0.35 0.00 -0.48 0.00 0.52 0.00 0.00 54.79 55.18 3i4m n ASP 50 Cb 0.12 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.48 3i4m n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3i4m h GLY 52 N 9.28 0.00 -5.09 0.00 0.00 -1.98 -2.69 103.07 102.59 3i4m h GLY 52 Ca -0.49 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.53 3i4m h GLY 52 CO 0.95 0.00 1.37 1.42 0.00 0.00 0.00 176.54 180.28 3i4m n HIS 53 N -4.40 0.22 -0.00 5.60 8.25 -1.26 -4.34 115.22 119.28 3i4m n HIS 53 Ca -0.01 0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 3i4m n HIS 53 Cb 0.19 -1.10 0.00 0.00 1.12 0.00 0.00 29.99 30.20 3i4m n HIS 53 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3i4m n ARG 54 N 5.18 0.58 0.00 -0.41 1.74 -1.26 -4.33 116.66 118.16 3i4m n ARG 54 Ca 0.49 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 3i4m n ARG 54 Cb 0.06 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 3i4m n ARG 54 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 3i4m n ILE 55 N 1.38 0.00 0.00 0.55 -0.00 -1.26 -4.85 119.36 115.18 3i4m n ILE 55 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 3i4m n ILE 55 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.93 3i4m n ILE 55 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 3i4m n LEU 56 N 0.00 0.00 -5.00 7.28 4.77 -1.23 -4.97 117.00 117.86 3i4m n LEU 56 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.79 3i4m n LEU 56 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 3i4m n LEU 56 CO 0.00 0.00 0.24 -0.76 -1.33 0.00 0.00 177.39 175.54 3i4m s LEU 57 N 0.00 3.48 0.00 2.23 1.43 0.07 -4.78 118.68 121.11 3i4m s LEU 57 Ca 0.00 -0.28 0.21 0.00 -1.03 0.00 0.00 54.13 53.03 3i4m s LEU 57 Cb 0.00 -2.70 0.03 0.00 0.03 0.00 0.00 46.19 43.55 3i4m s LEU 57 CO 0.00 -0.94 1.07 1.17 0.23 0.00 0.00 176.35 177.88 3i4m n LYS 58 N -2.07 1.49 -1.53 1.70 4.81 -1.26 -0.87 118.16 120.43 3i4m n LYS 58 Ca 0.08 -1.15 0.00 0.00 -0.87 0.00 0.00 58.31 56.38 3i4m n LYS 58 Cb 0.59 -1.43 0.00 0.00 0.02 0.00 0.00 35.03 34.21 3i4m n LYS 58 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i4m n ALA 59 N 0.23 -1.66 -0.89 3.14 0.00 -1.25 -4.55 120.51 115.53 3i4m n ALA 59 Ca 0.10 0.33 -0.35 0.00 0.00 0.00 0.00 53.44 53.52 3i4m n ALA 59 Cb 0.47 -1.16 0.03 0.00 0.00 0.00 0.00 19.45 18.78 3i4m n ALA 59 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i4m n ARG 60 N -0.78 0.00 -3.80 0.00 0.63 -1.26 -4.96 116.66 106.49 3i4m n ARG 60 Ca 0.00 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.59 3i4m n ARG 60 Cb 0.00 -0.89 -0.05 0.00 0.45 0.00 0.00 32.46 31.97 3i4m n ARG 60 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3i4m s THR 61 N -1.79 5.34 0.26 5.15 2.01 -1.26 -4.95 115.64 120.41 3i4m s THR 61 Ca 0.32 0.09 -0.02 0.00 0.31 0.00 0.00 61.69 62.38 3i4m s THR 61 Cb 0.08 -3.56 0.25 0.00 0.01 0.00 0.00 72.50 69.29 3i4m s THR 61 CO 0.60 0.36 1.85 0.11 -0.69 0.00 0.00 174.62 176.85 3i4m h LYS 62 N 3.95 0.99 -6.32 4.92 6.56 -2.02 -3.41 116.57 121.24 3i4m h LYS 62 Ca -0.50 -0.06 -0.66 0.00 -1.06 0.00 0.00 60.65 58.38 3i4m h LYS 62 Cb 1.19 -0.22 0.07 0.00 -0.57 0.00 0.00 32.23 32.70 3i4m h LYS 62 CO 0.67 0.65 0.36 0.54 -2.06 0.00 0.00 179.45 179.61 3i4m n ARG 63 N -4.60 1.20 -2.79 3.15 1.74 -1.26 -4.89 116.66 109.21 3i4m n ARG 63 Ca 0.15 0.43 -0.42 0.00 -0.77 0.00 0.00 57.85 57.24 3i4m n ARG 63 Cb 0.24 -1.99 -0.03 0.00 -1.02 0.00 0.00 32.46 29.66 3i4m n ARG 63 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3i4m s LEU 64 N 0.59 4.09 0.61 0.55 1.43 -1.26 -5.05 118.68 119.64 3i4m s LEU 64 Ca 0.77 1.19 -0.09 0.00 -1.03 0.00 0.00 54.13 54.97 3i4m s LEU 64 Cb -0.88 -3.34 -0.02 0.00 0.03 0.00 0.00 46.19 41.98 3i4m s LEU 64 CO 0.50 -0.58 0.98 0.68 0.23 0.00 0.00 176.35 178.16 3i4m s VAL 65 N 2.98 4.28 0.03 -1.59 -7.23 -1.26 -5.09 120.40 112.51 3i4m s VAL 65 Ca 0.39 0.52 -0.01 0.00 -1.81 0.00 0.00 61.98 61.07 3i4m s VAL 65 Cb -0.15 -3.71 -0.03 0.00 0.56 0.00 0.00 36.38 33.05 3i4m s VAL 65 CO 0.07 -0.86 -0.02 -1.58 -0.31 0.00 0.00 175.10 172.40 3i4m s GLN 66 N -5.11 0.45 0.16 4.82 0.74 -1.26 -5.17 119.66 114.28 3i4m s GLN 66 Ca 0.54 -0.86 -0.05 0.00 0.05 0.00 0.00 55.36 55.04 3i4m s GLN 66 Cb -0.11 0.16 -0.02 0.00 1.10 0.00 0.00 33.01 34.14 3i4m s GLN 66 CO 0.50 -0.08 0.19 -0.06 -0.55 0.00 0.00 175.29 175.29 3i4m s PHE 67 N -2.52 0.69 -0.18 1.67 0.40 -1.26 -5.14 117.98 111.64 3i4m s PHE 67 Ca -0.06 -1.03 -0.11 0.00 -0.60 0.00 0.00 56.93 55.13 3i4m s PHE 67 Cb -0.02 -0.28 -0.05 0.00 0.51 0.00 0.00 43.02 43.18 3i4m s PHE 67 CO -0.05 -0.65 0.19 -1.21 0.70 0.00 0.00 175.22 174.20 3i4m s GLU 68 N -4.03 4.14 -0.66 0.44 8.01 -1.26 -5.00 118.70 120.33 3i4m s GLU 68 Ca 0.23 -0.10 -0.07 0.00 0.01 0.00 0.00 54.97 55.04 3i4m s GLU 68 Cb 0.05 -3.40 -0.14 0.00 -4.31 0.00 0.00 34.13 26.33 3i4m s GLU 68 CO 0.03 0.33 3.23 0.00 0.01 0.00 0.00 175.26 178.86 3i4m n ALA 69 N 3.36 6.79 -0.89 5.21 0.00 -1.26 -5.38 120.51 128.35 3i4m n ALA 69 Ca -0.15 -2.67 0.00 0.00 0.00 0.00 0.00 53.44 50.62 3i4m n ALA 69 Cb 0.52 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 17.31 3i4m n ALA 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04