#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmr s LYS 2 N 0.00 1.07 -0.01 -1.58 -2.85 -1.26 -5.08 119.74 110.04 2kmr s LYS 2 Ca 0.00 1.45 -0.02 0.00 -1.00 0.00 0.00 55.97 56.40 2kmr s LYS 2 Cb 0.00 -1.74 -0.00 0.00 -2.06 0.00 0.00 37.83 34.03 2kmr s LYS 2 CO 0.00 -2.56 0.05 0.54 0.10 0.00 0.00 175.35 173.47 2kmr s VAL 3 N -2.68 0.05 -0.75 1.79 0.11 -1.26 -5.12 120.40 112.54 2kmr s VAL 3 Ca 0.66 -0.38 -0.26 0.00 -2.93 0.00 0.00 61.98 59.07 2kmr s VAL 3 Cb -0.22 -0.20 0.02 0.00 -1.53 0.00 0.00 36.38 34.45 2kmr s VAL 3 CO 0.58 -0.21 1.46 0.00 -3.33 0.00 0.00 175.10 173.60 2kmr n ALA 5 N 10.29 4.41 -1.09 0.00 0.00 -1.26 -4.96 120.51 127.90 2kmr n ALA 5 Ca 0.12 -1.07 -0.33 0.00 0.00 0.00 0.00 53.44 52.17 2kmr n ALA 5 Cb 0.50 -2.18 0.12 0.00 0.00 0.00 0.00 19.45 17.89 2kmr n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kmr s PRO 7 N -4.27 3.05 0.22 0.00 0.04 -1.26 -4.98 135.00 127.81 2kmr s PRO 7 Ca 0.71 1.58 0.08 0.00 0.04 0.00 0.00 61.00 63.41 2kmr s PRO 7 Cb -0.26 -1.97 0.18 0.00 0.04 0.00 0.00 34.50 32.50 2kmr s PRO 7 CO 0.51 -1.09 1.51 1.57 0.04 0.00 0.00 177.00 179.54 2kmr h LYS 8 N 0.70 0.06 -6.51 4.56 2.10 -2.03 -3.47 116.57 111.97 2kmr h LYS 8 Ca -0.49 -0.05 -0.55 0.00 -2.00 0.00 0.00 60.65 57.56 2kmr h LYS 8 Cb 1.26 0.01 0.05 0.00 -0.90 0.00 0.00 32.23 32.65 2kmr h LYS 8 CO 0.55 0.75 1.01 -0.89 -2.00 0.00 0.00 179.45 178.87 2kmr n ILE 9 N -3.71 0.21 -1.78 0.07 2.08 -1.26 -4.93 119.36 110.04 2kmr n ILE 9 Ca -0.01 -0.04 -0.42 0.00 0.56 0.00 0.00 62.75 62.84 2kmr n ILE 9 Cb 0.70 -1.91 -0.03 0.00 -0.75 0.00 0.00 39.64 37.65 2kmr n ILE 9 CO 0.00 0.00 0.00 -1.48 0.56 0.00 0.00 176.55 175.63 2kmr s LEU 10 N 2.06 4.38 -0.44 1.39 2.34 -1.26 -4.89 118.68 122.27 2kmr s LEU 10 Ca 0.81 2.72 0.07 0.00 0.06 0.00 0.00 54.13 57.78 2kmr s LEU 10 Cb -0.56 -3.58 0.23 0.00 -0.56 0.00 0.00 46.19 41.73 2kmr s LEU 10 CO 0.38 -0.96 0.53 0.29 -1.06 0.00 0.00 176.35 175.53 2kmr n LYS 11 N 5.14 0.94 -2.21 1.48 4.76 -1.11 -5.03 118.16 122.12 2kmr n LYS 11 Ca 0.17 -3.47 -0.32 0.00 -2.87 0.00 0.00 58.31 51.81 2kmr n LYS 11 Cb 0.38 -1.48 -0.04 0.00 -1.84 0.00 0.00 35.03 32.05 2kmr n LYS 11 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2kmr s PRO 12 N -1.19 2.91 0.71 1.97 0.04 -1.14 -3.58 135.00 134.72 2kmr s PRO 12 Ca 0.35 -1.02 -0.11 0.00 0.04 0.00 0.00 61.00 60.26 2kmr s PRO 12 Cb 0.14 -5.25 0.02 0.00 0.04 0.00 0.00 34.50 29.44 2kmr s PRO 12 CO -0.11 -3.27 1.07 0.14 0.04 0.00 0.00 177.00 174.87 2kmr s VAL 13 N 8.79 3.81 -1.45 -0.36 -7.23 -1.25 -4.94 120.40 117.77 2kmr s VAL 13 Ca 0.63 0.59 0.30 0.00 -1.81 0.00 0.00 61.98 61.70 2kmr s VAL 13 Cb -0.02 -3.43 0.53 0.00 0.56 0.00 0.00 36.38 34.03 2kmr s VAL 13 CO 0.05 -0.77 2.05 0.00 -0.31 0.00 0.00 175.10 176.12 2kmr n GLY 15 N 1.28 -0.36 0.06 0.00 0.00 -1.19 -3.13 105.19 101.84 2kmr n GLY 15 Ca 0.15 -1.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.08 2kmr n GLY 15 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kmr n SER 16 N -2.18 3.09 0.09 1.61 2.88 -1.22 -4.68 113.62 113.20 2kmr n SER 16 Ca 0.00 -0.05 0.11 0.00 -1.33 0.00 0.00 58.87 57.60 2kmr n SER 16 Cb 0.00 -0.08 0.45 0.00 -0.75 0.00 0.00 64.21 63.83 2kmr n SER 16 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2kmr n ASP 17 N -2.78 0.51 -0.04 -3.46 2.03 -1.26 -4.89 116.55 106.67 2kmr n ASP 17 Ca -0.19 0.61 0.00 0.00 0.52 0.00 0.00 54.79 55.72 2kmr n ASP 17 Cb 0.72 -0.72 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2kmr n ASP 17 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kmr n GLY 18 N 0.32 1.06 3.08 0.27 0.00 -1.26 -5.13 105.19 103.53 2kmr n GLY 18 Ca 0.03 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 2kmr n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kmr s ARG 19 N -0.52 0.59 -0.11 1.61 1.81 -1.18 -5.04 118.95 116.11 2kmr s ARG 19 Ca 0.00 -0.83 -0.13 0.00 -1.72 0.00 0.00 55.73 53.05 2kmr s ARG 19 Cb 0.00 -0.35 -0.05 0.00 -0.45 0.00 0.00 34.95 34.10 2kmr s ARG 19 CO 0.00 0.06 0.31 0.99 -0.68 0.00 0.00 175.30 175.98 2kmr s THR 20 N -1.56 5.26 0.19 0.02 2.01 -1.26 -3.14 115.64 117.16 2kmr s THR 20 Ca -0.07 0.59 0.06 0.00 0.31 0.00 0.00 61.69 62.58 2kmr s THR 20 Cb -0.09 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 2kmr s THR 20 CO 0.00 0.48 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.99 2kmr s TYR 21 N -0.20 1.56 0.02 4.92 2.02 -1.25 -5.06 117.35 119.37 2kmr s TYR 21 Ca 0.19 -0.68 -0.26 0.00 -0.37 0.00 0.00 57.07 55.95 2kmr s TYR 21 Cb -0.14 -0.78 -0.14 0.00 -0.40 0.00 0.00 41.96 40.50 2kmr s TYR 21 CO 0.07 0.22 1.14 0.00 -1.57 0.00 0.00 175.55 175.41 2kmr h ALA 22 N 2.60 -1.01 -2.19 3.71 0.00 -1.94 -3.34 119.26 117.10 2kmr h ALA 22 Ca -0.38 -0.20 -0.40 0.00 0.00 0.00 0.00 54.91 53.92 2kmr h ALA 22 Cb 1.21 0.36 -0.14 0.00 0.00 0.00 0.00 17.79 19.22 2kmr h ALA 22 CO 0.63 -0.94 -0.70 -0.80 0.00 0.00 0.00 179.25 177.45 2kmr s ASN 23 N -4.17 2.19 0.20 0.00 0.01 -1.25 -2.77 114.94 109.14 2kmr s ASN 23 Ca -0.14 -1.11 -0.09 0.00 -0.71 0.00 0.00 52.86 50.81 2kmr s ASN 23 Cb 0.01 -0.07 0.13 0.00 0.41 0.00 0.00 41.25 41.73 2kmr s ASN 23 CO 0.41 -0.34 1.76 0.77 -1.51 0.00 0.00 177.10 178.19 2kmr h SER 24 N 2.54 1.00 -0.27 -1.22 4.64 -1.89 -3.05 113.55 115.30 2kmr h SER 24 Ca -0.38 -0.17 0.03 0.00 -0.47 0.00 0.00 61.79 60.79 2kmr h SER 24 Cb 1.22 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 63.02 2kmr h SER 24 CO 0.64 0.90 0.10 0.00 -0.87 0.00 0.00 176.83 177.60 2kmr h ILE 26 N 0.22 0.68 -0.35 0.00 5.03 -1.95 -0.56 117.51 120.58 2kmr h ILE 26 Ca 0.12 -0.12 0.01 0.00 -0.12 0.00 0.00 64.86 64.75 2kmr h ILE 26 Cb 0.08 0.31 -0.02 0.00 -3.03 0.00 0.00 36.82 34.16 2kmr h ILE 26 CO -0.12 0.06 0.22 0.00 -0.68 0.00 0.00 178.15 177.64 2kmr h ALA 27 N 1.48 0.44 -0.33 1.87 0.00 -1.36 -0.12 119.26 121.24 2kmr h ALA 27 Ca 0.34 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.26 2kmr h ALA 27 Cb 0.48 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2kmr h ALA 27 CO -0.38 -0.11 0.13 -0.09 0.00 0.00 0.00 179.25 178.80 2kmr h ARG 28 N 0.45 0.28 -0.33 0.00 1.12 -1.11 -0.73 114.38 114.05 2kmr h ARG 28 Ca 0.13 -0.02 0.05 0.00 -1.11 0.00 0.00 59.98 59.03 2kmr h ARG 28 Cb -0.03 -0.06 -0.04 0.00 -0.01 0.00 0.00 29.97 29.82 2kmr h ARG 28 CO -0.04 0.18 0.08 0.00 -3.11 0.00 0.00 179.97 177.08 2kmr h ASN 30 N 0.20 0.01 0.00 0.00 -0.00 -0.66 -3.47 115.58 111.66 2kmr h ASN 30 Ca 0.15 -0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.45 2kmr h ASN 30 Cb 0.16 -0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.48 2kmr h ASN 30 CO -0.19 0.39 0.00 0.61 -0.00 0.00 0.00 177.43 178.24 2kmr n GLY 31 N -0.41 1.67 3.25 1.57 0.00 -0.53 -5.09 105.19 105.64 2kmr n GLY 31 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 2kmr n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kmr s VAL 32 N -1.67 1.68 0.47 1.61 1.01 -0.40 -5.01 120.40 118.09 2kmr s VAL 32 Ca 0.00 -1.13 0.06 0.00 0.00 0.00 0.00 61.98 60.91 2kmr s VAL 32 Cb 0.00 -1.44 0.02 0.00 0.00 0.00 0.00 36.38 34.96 2kmr s VAL 32 CO 0.00 0.28 0.64 -0.55 0.00 0.00 0.00 175.10 175.47 2kmr s SER 33 N -1.00 5.52 0.00 3.32 0.15 -1.26 -2.71 113.70 117.71 2kmr s SER 33 Ca 0.08 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.46 2kmr s SER 33 Cb -0.09 -0.74 0.00 0.00 -1.71 0.00 0.00 66.02 63.48 2kmr s SER 33 CO 0.01 -0.90 0.61 -0.38 1.20 0.00 0.00 173.24 173.78 2kmr n ILE 34 N -2.03 0.00 -1.49 6.45 5.41 -1.26 -3.39 119.36 123.05 2kmr n ILE 34 Ca 0.08 0.00 -0.17 0.00 1.00 0.00 0.00 62.75 63.66 2kmr n ILE 34 Cb 0.59 0.81 -0.07 0.00 -0.71 0.00 0.00 39.64 40.26 2kmr n ILE 34 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2kmr n LYS 35 N 0.00 -1.48 -0.32 0.38 4.01 -1.26 -4.86 118.16 114.63 2kmr n LYS 35 Ca 0.00 1.06 0.08 0.00 -0.51 0.00 0.00 58.31 58.94 2kmr n LYS 35 Cb 0.55 -5.41 0.19 0.00 -0.51 0.00 0.00 35.03 29.85 2kmr n LYS 35 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2kmr n SER 36 N -1.12 2.73 0.24 4.39 2.88 -1.26 -4.77 113.62 116.70 2kmr n SER 36 Ca -0.17 -3.24 0.18 0.00 -1.33 0.00 0.00 58.87 54.31 2kmr n SER 36 Cb 0.61 -0.50 0.83 0.00 -0.75 0.00 0.00 64.21 64.40 2kmr n SER 36 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2kmr h GLU 37 N 0.74 0.00 0.00 -1.46 5.08 -2.02 -1.58 114.58 115.34 2kmr h GLU 37 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2kmr h GLU 37 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2kmr h GLU 37 CO 0.10 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.52 2kmr n GLY 38 N -1.32 -1.35 2.69 -3.84 0.00 -1.26 -4.51 105.19 95.59 2kmr n GLY 38 Ca 0.01 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 2kmr n GLY 38 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kmr s SER 39 N -3.02 1.58 0.06 1.61 0.15 -0.59 -5.15 113.70 108.34 2kmr s SER 39 Ca 0.12 -1.76 -0.01 0.00 0.70 0.00 0.00 55.95 55.00 2kmr s SER 39 Cb 0.16 0.33 -0.04 0.00 -1.71 0.00 0.00 66.02 64.76 2kmr s SER 39 CO 0.45 -0.27 -0.02 0.00 1.20 0.00 0.00 173.24 174.60 2kmr n PRO 41 N 0.07 0.22 -1.65 0.00 -0.04 -1.26 -4.80 135.00 127.54 2kmr n PRO 41 Ca -0.13 0.33 -0.43 0.00 -0.04 0.00 0.00 63.50 63.24 2kmr n PRO 41 Cb 0.61 -1.84 -0.03 0.00 -0.04 0.00 0.00 33.50 32.21 2kmr n PRO 41 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2kmr s THR 42 N -3.22 3.05 -0.47 0.52 2.01 -1.26 -4.91 115.64 111.35 2kmr s THR 42 Ca 0.07 0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.18 2kmr s THR 42 Cb 0.11 -3.05 0.25 0.00 0.01 0.00 0.00 72.50 69.82 2kmr s THR 42 CO 0.48 -0.03 0.86 0.61 -0.69 0.00 0.00 174.62 175.84 2kmr n GLY 43 N 5.42 0.58 0.00 4.40 0.00 -1.26 -5.15 105.19 109.18 2kmr n GLY 43 Ca 0.27 -0.16 0.03 0.00 0.00 0.00 0.00 46.02 46.16 2kmr n GLY 43 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83