#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k83 n LEU 27 N 0.00 0.00 -0.01 -4.42 -0.00 -1.26 -5.06 117.00 106.25 1k83 n LEU 27 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 56.01 56.11 1k83 n LEU 27 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.28 1k83 n LEU 27 CO 0.00 0.00 -0.65 0.29 -0.00 0.00 0.00 177.39 177.03 1k83 n LYS 28 N -0.03 0.61 -3.83 1.47 5.02 -1.25 -4.97 118.16 115.18 1k83 n LYS 28 Ca 0.00 -0.16 -0.09 0.00 -2.02 0.00 0.00 58.31 56.04 1k83 n LYS 28 Cb 0.00 -1.45 -0.07 0.00 -0.02 0.00 0.00 35.03 33.49 1k83 n LYS 28 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1k83 s TYR 29 N -3.27 0.13 0.34 2.13 1.51 -1.24 -4.40 117.35 112.54 1k83 s TYR 29 Ca -0.05 -0.52 0.06 0.00 -1.01 0.00 0.00 57.07 55.55 1k83 s TYR 29 Cb 0.13 0.02 -0.07 0.00 -0.11 0.00 0.00 41.96 41.92 1k83 s TYR 29 CO 0.80 -0.62 -0.01 0.42 -1.11 0.00 0.00 175.55 175.03 1k83 s ILE 30 N -3.87 1.72 -0.11 2.71 1.01 0.40 -2.22 121.20 120.84 1k83 s ILE 30 Ca 0.07 -2.06 -0.02 0.00 0.00 0.00 0.00 60.65 58.63 1k83 s ILE 30 Cb 0.04 -2.75 -0.03 0.00 0.01 0.00 0.00 42.46 39.73 1k83 s ILE 30 CO -0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 174.94 174.74 1k83 n ALA 32 N 2.52 0.97 -0.02 0.00 0.00 -1.26 -3.46 120.51 119.26 1k83 n ALA 32 Ca -0.18 0.99 0.00 0.00 0.00 0.00 0.00 53.44 54.25 1k83 n ALA 32 Cb 0.53 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.00 1k83 n ALA 32 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1k83 n GLU 33 N -5.21 0.00 0.00 0.00 1.02 -1.26 -4.79 120.64 110.40 1k83 n GLU 33 Ca 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 1k83 n GLU 33 Cb 1.23 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.65 1k83 n GLU 33 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1k83 n SER 35 N -0.57 0.00 -4.57 0.00 7.64 -1.23 -4.85 113.62 110.04 1k83 n SER 35 Ca 0.00 0.00 -0.53 0.00 1.01 0.00 0.00 58.87 59.35 1k83 n SER 35 Cb 0.00 -0.54 -0.06 0.00 -1.01 0.00 0.00 64.21 62.60 1k83 n SER 35 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1k83 n SER 36 N 0.00 1.35 -4.56 6.43 3.41 -1.26 -4.30 113.62 114.70 1k83 n SER 36 Ca 0.00 1.13 -0.33 0.00 -0.26 0.00 0.00 58.87 59.40 1k83 n SER 36 Cb 0.00 -1.14 -0.04 0.00 -0.26 0.00 0.00 64.21 62.77 1k83 n SER 36 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1k83 s LYS 37 N 0.39 3.02 0.00 4.33 1.02 -1.26 -3.15 119.74 124.09 1k83 s LYS 37 Ca 0.85 -0.66 0.00 0.00 0.02 0.00 0.00 55.97 56.18 1k83 s LYS 37 Cb -1.01 -5.19 0.00 0.00 -0.52 0.00 0.00 37.83 31.11 1k83 s LYS 37 CO 0.49 -2.85 0.00 -0.11 -0.92 0.00 0.00 175.35 171.96 1k83 n LEU 38 N 11.67 0.00 0.00 3.17 7.94 -0.94 -4.94 117.00 133.90 1k83 n LEU 38 Ca 0.37 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.27 1k83 n LEU 38 Cb 0.49 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.44 1k83 n LEU 38 CO 0.63 -0.51 0.00 -0.24 -1.11 0.00 0.00 177.39 176.16 1k83 n SER 39 N -1.83 0.00 -4.21 1.96 2.88 -1.26 -3.66 113.62 107.50 1k83 n SER 39 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1k83 n SER 39 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 1k83 n SER 39 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1k83 s LEU 40 N 0.00 2.20 0.00 2.46 1.43 -1.26 -4.96 118.68 118.54 1k83 s LEU 40 Ca 0.00 -1.13 0.00 0.00 -1.03 0.00 0.00 54.13 51.97 1k83 s LEU 40 Cb 0.00 -0.02 0.00 0.00 0.03 0.00 0.00 46.19 46.20 1k83 s LEU 40 CO 0.00 -0.56 0.00 -1.54 0.23 0.00 0.00 176.35 174.48 1k83 n SER 41 N -0.16 0.00 -4.82 2.29 3.41 -1.26 -5.00 113.62 108.07 1k83 n SER 41 Ca -0.08 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.21 1k83 n SER 41 Cb 0.63 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.57 1k83 n SER 41 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1k83 s ARG 42 N 0.66 3.52 0.00 4.33 0.52 -1.26 -3.54 118.95 123.18 1k83 s ARG 42 Ca 0.00 1.06 0.00 0.00 -0.52 0.00 0.00 55.73 56.27 1k83 s ARG 42 Cb 0.00 -2.07 0.00 0.00 0.52 0.00 0.00 34.95 33.40 1k83 s ARG 42 CO 0.00 -0.63 0.00 2.41 0.02 0.00 0.00 175.30 177.10 1k83 n THR 43 N -2.03 0.00 1.12 0.02 -1.04 -1.26 -4.86 114.28 106.23 1k83 n THR 43 Ca 0.08 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.12 1k83 n THR 43 Cb 0.53 -0.03 0.10 0.00 -1.82 0.00 0.00 70.33 69.11 1k83 n THR 43 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1k83 n ASP 44 N 0.00 1.41 0.00 8.00 8.00 -1.23 -5.01 116.55 127.72 1k83 n ASP 44 Ca 0.00 -2.07 0.00 0.00 0.71 0.00 0.00 54.79 53.43 1k83 n ASP 44 Cb 0.00 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 1k83 n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k83 n ALA 45 N 0.12 0.00 -3.20 2.24 0.00 -1.26 -4.38 120.51 114.03 1k83 n ALA 45 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.28 1k83 n ALA 45 Cb 0.26 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.64 1k83 n ALA 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1k83 n VAL 46 N 0.00 -0.74 -2.79 0.00 0.31 -1.26 -5.05 118.33 108.80 1k83 n VAL 46 Ca 0.00 -3.79 0.00 0.00 -0.01 0.00 0.00 64.34 60.54 1k83 n VAL 46 Cb 0.00 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.20 1k83 n VAL 46 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1k83 n ARG 47 N 1.64 2.14 -2.51 5.55 1.74 -1.26 -3.99 116.66 119.97 1k83 n ARG 47 Ca 0.22 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.24 1k83 n ARG 47 Cb 0.53 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.96 1k83 n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1k83 s LYS 49 N -2.29 3.42 0.00 0.00 -0.14 -1.26 -4.33 119.74 115.14 1k83 s LYS 49 Ca 0.11 -0.07 0.00 0.00 -1.36 0.00 0.00 55.97 54.65 1k83 s LYS 49 Cb -0.01 -3.95 0.00 0.00 -1.68 0.00 0.00 37.83 32.19 1k83 s LYS 49 CO 0.08 -1.17 0.00 -0.25 -0.76 0.00 0.00 175.35 173.25 1k83 n ASP 50 N 6.87 0.00 -4.28 2.83 9.92 -1.26 -4.81 116.55 125.83 1k83 n ASP 50 Ca 0.03 0.00 -0.44 0.00 -0.53 0.00 0.00 54.79 53.85 1k83 n ASP 50 Cb 0.48 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.96 1k83 n ASP 50 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1k83 n GLY 52 N 2.68 0.05 3.64 0.00 0.00 -1.26 -3.87 105.19 106.42 1k83 n GLY 52 Ca 0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 1k83 n GLY 52 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1k83 s HIS 53 N 0.89 1.61 -0.31 1.61 3.76 -1.26 -4.71 115.29 116.88 1k83 s HIS 53 Ca 0.00 0.19 0.00 0.00 -0.15 0.00 0.00 55.06 55.10 1k83 s HIS 53 Cb 0.00 -4.04 0.00 0.00 1.11 0.00 0.00 32.58 29.65 1k83 s HIS 53 CO 0.00 -4.14 0.73 0.54 -0.85 0.00 0.00 174.74 171.03 1k83 n ARG 54 N 7.83 0.87 0.00 1.40 1.74 -1.26 -4.22 116.66 123.02 1k83 n ARG 54 Ca 0.22 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 1k83 n ARG 54 Cb 0.44 -1.18 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 1k83 n ARG 54 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1k83 n ILE 55 N 0.41 0.00 -0.74 0.55 5.41 -1.26 -4.89 119.36 118.84 1k83 n ILE 55 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1k83 n ILE 55 Cb 0.37 -0.88 0.00 0.00 -0.71 0.00 0.00 39.64 38.41 1k83 n ILE 55 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1k83 n LEU 56 N -1.22 -3.71 -4.71 1.39 4.77 -1.26 -4.87 117.00 107.40 1k83 n LEU 56 Ca 0.00 1.26 -0.30 0.00 -0.03 0.00 0.00 56.01 56.94 1k83 n LEU 56 Cb 0.00 -0.68 -0.08 0.00 -2.33 0.00 0.00 43.42 40.34 1k83 n LEU 56 CO 0.00 -0.27 -0.32 -0.76 -1.33 0.00 0.00 177.39 174.71 1k83 s LEU 57 N -1.31 3.53 0.00 2.23 1.43 0.21 -4.79 118.68 119.98 1k83 s LEU 57 Ca 0.00 -0.15 0.20 0.00 -1.03 0.00 0.00 54.13 53.15 1k83 s LEU 57 Cb 0.00 -2.25 1.12 0.00 0.03 0.00 0.00 46.19 45.09 1k83 s LEU 57 CO 0.00 0.17 1.57 1.17 0.23 0.00 0.00 176.35 179.49 1k83 n LYS 58 N 0.51 0.52 -1.75 1.70 0.00 -1.26 0.15 118.16 118.03 1k83 n LYS 58 Ca -0.10 0.03 0.00 0.00 0.00 0.00 0.00 58.31 58.24 1k83 n LYS 58 Cb 0.52 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.05 1k83 n LYS 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1k83 n ALA 59 N -1.08 -2.01 -0.71 3.14 0.00 -1.26 -4.53 120.51 114.06 1k83 n ALA 59 Ca 0.13 0.47 -0.29 0.00 0.00 0.00 0.00 53.44 53.76 1k83 n ALA 59 Cb 0.09 -1.45 0.24 0.00 0.00 0.00 0.00 19.45 18.34 1k83 n ALA 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1k83 s ARG 60 N -2.96 -1.15 0.29 0.00 3.52 -1.26 -4.99 118.95 112.40 1k83 s ARG 60 Ca 0.00 0.50 0.02 0.00 -0.13 0.00 0.00 55.73 56.12 1k83 s ARG 60 Cb 0.00 -1.56 -0.03 0.00 -1.56 0.00 0.00 34.95 31.80 1k83 s ARG 60 CO 0.00 -3.79 0.46 0.95 -0.81 0.00 0.00 175.30 172.11 1k83 s THR 61 N -2.60 5.18 -1.09 4.11 -4.23 -1.26 -4.99 115.64 110.75 1k83 s THR 61 Ca 0.68 -0.67 0.25 0.00 -1.18 0.00 0.00 61.69 60.77 1k83 s THR 61 Cb -0.20 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 69.80 1k83 s THR 61 CO 0.61 -0.44 1.36 0.29 -0.54 0.00 0.00 174.62 175.90 1k83 n LYS 62 N -1.54 0.10 -0.83 3.99 4.01 -1.26 -4.51 118.16 118.12 1k83 n LYS 62 Ca -0.06 -0.06 -0.10 0.00 -0.51 0.00 0.00 58.31 57.57 1k83 n LYS 62 Cb 0.56 -1.50 -0.14 0.00 -0.51 0.00 0.00 35.03 33.44 1k83 n LYS 62 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 1k83 n ARG 63 N -1.39 1.66 0.00 1.97 1.85 -1.26 -4.94 116.66 114.54 1k83 n ARG 63 Ca 0.06 -0.83 0.00 0.00 -1.00 0.00 0.00 57.85 56.09 1k83 n ARG 63 Cb 0.34 -1.91 0.00 0.00 -1.05 0.00 0.00 32.46 29.84 1k83 n ARG 63 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1k83 n LEU 64 N 2.57 0.00 -4.77 2.89 4.77 -1.26 -4.89 117.00 116.31 1k83 n LEU 64 Ca 0.35 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.96 1k83 n LEU 64 Cb 0.76 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.79 1k83 n LEU 64 CO 0.14 0.00 0.14 -0.69 -1.33 0.00 0.00 177.39 175.65 1k83 s VAL 65 N 0.00 5.11 -0.01 4.08 1.01 -1.26 -5.08 120.40 124.25 1k83 s VAL 65 Ca 0.00 0.90 -0.08 0.00 0.00 0.00 0.00 61.98 62.80 1k83 s VAL 65 Cb 0.00 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 1k83 s VAL 65 CO 0.00 0.43 0.28 -1.58 0.00 0.00 0.00 175.10 174.23 1k83 s GLN 66 N -0.08 3.62 0.08 2.72 0.74 -1.26 -5.10 119.66 120.38 1k83 s GLN 66 Ca 0.25 -0.00 0.08 0.00 0.05 0.00 0.00 55.36 55.73 1k83 s GLN 66 Cb -0.16 -3.10 -0.03 0.00 1.10 0.00 0.00 33.01 30.82 1k83 s GLN 66 CO 0.11 0.66 -0.20 -0.06 -0.55 0.00 0.00 175.29 175.26 1k83 s PHE 67 N -1.24 1.74 -0.09 1.67 0.40 -1.26 -5.11 117.98 114.09 1k83 s PHE 67 Ca 0.26 -0.40 -0.25 0.00 -0.60 0.00 0.00 56.93 55.94 1k83 s PHE 67 Cb -0.13 -0.99 -0.03 0.00 0.51 0.00 0.00 43.02 42.38 1k83 s PHE 67 CO 0.14 0.15 0.76 -1.21 0.70 0.00 0.00 175.22 175.77 1k83 s GLU 68 N -1.62 4.41 0.00 0.44 8.01 -1.26 -4.91 118.70 123.77 1k83 s GLU 68 Ca 0.06 0.97 0.00 0.00 0.01 0.00 0.00 54.97 56.01 1k83 s GLU 68 Cb -0.09 -3.49 0.00 0.00 -4.31 0.00 0.00 34.13 26.24 1k83 s GLU 68 CO 0.03 -0.06 0.76 0.00 0.01 0.00 0.00 175.26 176.00 1k83 n ALA 69 N 4.20 2.27 0.08 5.21 0.00 -1.26 -5.36 120.51 125.66 1k83 n ALA 69 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.46 1k83 n ALA 69 Cb 0.51 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.96 1k83 n ALA 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04