#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ynr h GLU 2 N 0.00 0.37 -0.30 1.20 4.81 -1.98 -0.40 114.58 118.28 1ynr h GLU 2 Ca 0.00 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 1ynr h GLU 2 Cb 0.00 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1ynr h GLU 2 CO 0.00 0.52 0.09 0.37 -0.73 0.00 0.00 179.01 179.26 1ynr h GLN 3 N 0.34 0.47 -0.58 1.92 5.75 -2.05 -1.83 115.11 119.14 1ynr h GLN 3 Ca 0.06 -0.10 -0.07 0.00 -0.15 0.00 0.00 58.65 58.39 1ynr h GLN 3 Cb 0.48 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.93 1ynr h GLN 3 CO 0.03 0.53 0.10 1.25 -2.65 0.00 0.00 178.83 178.08 1ynr h LEU 4 N 0.33 0.89 -0.41 -2.39 6.46 -1.89 -0.27 115.31 118.02 1ynr h LEU 4 Ca 0.10 -0.19 0.01 0.00 -0.12 0.00 0.00 57.88 57.68 1ynr h LEU 4 Cb 0.25 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 39.92 1ynr h LEU 4 CO -0.00 0.89 0.25 0.00 -0.62 0.00 0.00 178.44 178.96 1ynr h ALA 5 N 1.21 0.52 -0.31 1.25 0.00 -0.97 -1.17 119.26 119.79 1ynr h ALA 5 Ca 0.18 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1ynr h ALA 5 Cb 0.39 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1ynr h ALA 5 CO 0.01 -0.07 -0.02 -0.22 0.00 0.00 0.00 179.25 178.95 1ynr h LYS 6 N 0.51 0.57 -0.90 0.00 3.64 -1.13 -1.58 116.57 117.67 1ynr h LYS 6 Ca 0.16 -0.19 0.15 0.00 -1.27 0.00 0.00 60.65 59.50 1ynr h LYS 6 Cb -0.01 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.69 1ynr h LYS 6 CO -0.06 0.71 0.58 0.37 -2.27 0.00 0.00 179.45 178.78 1ynr h GLN 7 N 0.36 0.67 -0.18 1.90 4.15 -0.90 -1.40 115.11 119.71 1ynr h GLN 7 Ca 0.09 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1ynr h GLN 7 Cb 0.47 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.01 1ynr h GLN 7 CO 0.02 0.45 0.00 1.63 -1.93 0.00 0.00 178.83 179.00 1ynr n LYS 8 N -4.57 1.65 -0.87 1.69 4.76 -0.45 -4.92 118.16 115.45 1ynr n LYS 8 Ca 0.18 -0.99 0.00 0.00 -2.87 0.00 0.00 58.31 54.63 1ynr n LYS 8 Cb 0.48 -1.35 0.00 0.00 -1.84 0.00 0.00 35.03 32.31 1ynr n LYS 8 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ynr n GLY 9 N 1.07 0.70 0.27 0.72 0.00 -0.53 -4.93 105.19 102.50 1ynr n GLY 9 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 1ynr n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ynr h MET 11 N 0.55 0.00 -0.65 0.00 2.86 -1.72 -1.77 114.93 114.20 1ynr h MET 11 Ca 0.11 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.80 1ynr h MET 11 Cb 0.38 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.00 1ynr h MET 11 CO 0.01 0.00 0.43 0.00 1.06 0.00 0.00 176.91 178.41 1ynr h ALA 12 N 2.05 1.69 0.00 6.32 0.00 -1.85 -3.21 119.26 124.25 1ynr h ALA 12 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ynr h ALA 12 Cb 0.26 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ynr h ALA 12 CO 0.00 0.23 -0.88 0.00 0.00 0.00 0.00 179.25 178.61 1ynr s HIS 14 N -2.36 1.62 0.27 0.00 4.02 -0.72 -0.87 115.29 117.26 1ynr s HIS 14 Ca 0.02 -0.62 0.07 0.00 1.02 0.00 0.00 55.06 55.55 1ynr s HIS 14 Cb 0.09 -1.17 -0.03 0.00 -1.02 0.00 0.00 32.58 30.44 1ynr s HIS 14 CO 0.50 -0.31 0.24 0.34 1.02 0.00 0.00 174.74 176.53 1ynr s ASP 15 N 0.65 5.53 0.26 1.40 2.15 -1.26 -4.15 116.67 121.26 1ynr s ASP 15 Ca -0.15 -0.29 -0.05 0.00 0.43 0.00 0.00 52.55 52.49 1ynr s ASP 15 Cb -0.16 -1.32 0.30 0.00 -0.30 0.00 0.00 42.92 41.45 1ynr s ASP 15 CO 0.04 -0.13 1.92 -0.07 -0.17 0.00 0.00 175.17 176.76 1ynr h LEU 16 N 1.39 1.09 0.00 -1.34 4.07 -1.94 -0.37 115.31 118.21 1ynr h LEU 16 Ca -0.48 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.44 1ynr h LEU 16 Cb 1.24 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.71 1ynr h LEU 16 CO 0.60 0.81 -0.88 0.29 -1.08 0.00 0.00 178.44 178.18 1ynr n LYS 17 N -4.37 0.00 -2.45 1.13 5.02 -1.26 -1.35 118.16 114.88 1ynr n LYS 17 Ca 0.11 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.12 1ynr n LYS 17 Cb 0.04 -0.80 0.01 0.00 -0.02 0.00 0.00 35.03 34.26 1ynr n LYS 17 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ynr s ALA 18 N -1.91 3.32 -0.23 7.82 0.00 -1.26 -4.77 121.76 124.74 1ynr s ALA 18 Ca 0.00 -0.49 -0.16 0.00 0.00 0.00 0.00 51.96 51.31 1ynr s ALA 18 Cb 0.00 -2.67 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 1ynr s ALA 18 CO 0.00 -0.52 0.42 0.21 0.00 0.00 0.00 175.76 175.87 1ynr s LYS 19 N -4.88 4.12 0.00 0.00 2.47 -1.26 -3.97 119.74 116.22 1ynr s LYS 19 Ca 0.50 0.20 0.00 0.00 -1.56 0.00 0.00 55.97 55.11 1ynr s LYS 19 Cb -0.10 -3.58 0.00 0.00 -1.46 0.00 0.00 37.83 32.68 1ynr s LYS 19 CO 0.46 -0.15 0.00 1.63 0.16 0.00 0.00 175.35 177.45 1ynr n LYS 20 N 4.86 0.00 -0.04 4.03 5.02 -1.26 -5.03 118.16 125.75 1ynr n LYS 20 Ca -0.07 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.16 1ynr n LYS 20 Cb 0.51 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.50 1ynr n LYS 20 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ynr n VAL 21 N 0.00 1.27 -2.42 -0.18 0.31 -0.55 -5.05 118.33 111.71 1ynr n VAL 21 Ca 0.00 0.24 -0.25 0.00 -0.01 0.00 0.00 64.34 64.32 1ynr n VAL 21 Cb 0.00 -2.02 0.11 0.00 -0.91 0.00 0.00 33.84 31.02 1ynr n VAL 21 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1ynr s GLY 22 N -4.45 1.76 0.54 2.92 0.00 -0.05 -5.02 107.32 103.03 1ynr s GLY 22 Ca -0.17 -1.48 -0.22 0.00 0.00 0.00 0.00 44.72 42.84 1ynr s GLY 22 CO 0.26 -0.93 1.37 2.56 0.00 0.00 0.00 173.10 176.36 1ynr s PRO 23 N -5.25 3.18 0.34 2.90 0.04 -1.26 -4.70 135.00 130.26 1ynr s PRO 23 Ca 0.66 2.26 -0.28 0.00 0.04 0.00 0.00 61.00 63.68 1ynr s PRO 23 Cb -0.06 -2.29 -0.12 0.00 0.04 0.00 0.00 34.50 32.06 1ynr s PRO 23 CO 0.45 -1.17 1.32 0.00 0.04 0.00 0.00 177.00 177.65 1ynr n ALA 24 N -0.95 1.43 -0.28 8.56 0.00 -1.26 -4.62 120.51 123.38 1ynr n ALA 24 Ca 0.10 0.36 0.14 0.00 0.00 0.00 0.00 53.44 54.04 1ynr n ALA 24 Cb 0.45 -2.28 0.40 0.00 0.00 0.00 0.00 19.45 18.02 1ynr n ALA 24 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1ynr h TYR 25 N 2.72 0.80 -0.46 0.00 0.99 -1.02 -1.10 116.97 118.90 1ynr h TYR 25 Ca -0.47 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.28 1ynr h TYR 25 Cb 1.28 -0.25 -0.02 0.00 1.00 0.00 0.00 36.73 38.74 1ynr h TYR 25 CO 0.51 0.25 0.24 0.00 -0.00 0.00 0.00 178.16 179.16 1ynr h ALA 26 N 1.61 1.56 -0.10 3.88 0.00 -1.47 -1.01 119.26 123.73 1ynr h ALA 26 Ca 0.48 -0.08 -0.20 0.00 0.00 0.00 0.00 54.91 55.10 1ynr h ALA 26 Cb 0.88 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.49 1ynr h ALA 26 CO -0.23 0.37 -0.73 -0.44 0.00 0.00 0.00 179.25 178.21 1ynr h ASP 27 N 0.64 0.82 -0.25 0.00 3.45 -1.47 -2.11 116.42 117.50 1ynr h ASP 27 Ca 0.16 -0.66 0.03 0.00 0.43 0.00 0.00 57.03 56.99 1ynr h ASP 27 Cb 0.04 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 38.54 1ynr h ASP 27 CO -0.03 1.35 0.08 0.58 -1.57 0.00 0.00 179.24 179.66 1ynr h VAL 28 N 0.34 0.93 -0.60 -1.35 2.07 -1.08 -1.78 116.25 114.79 1ynr h VAL 28 Ca -0.06 -0.07 0.11 0.00 0.82 0.00 0.00 66.70 67.50 1ynr h VAL 28 Cb 1.38 0.72 -0.09 0.00 -1.52 0.00 0.00 31.29 31.78 1ynr h VAL 28 CO 0.15 0.04 0.12 0.00 0.02 0.00 0.00 177.57 177.89 1ynr h ALA 29 N 1.16 0.70 -0.91 1.67 0.00 -1.15 -1.88 119.26 118.84 1ynr h ALA 29 Ca 0.11 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.18 1ynr h ALA 29 Cb 0.08 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1ynr h ALA 29 CO -0.12 -0.31 0.59 0.87 0.00 0.00 0.00 179.25 180.28 1ynr h LYS 30 N 0.25 1.12 -0.43 0.00 1.57 -0.97 -0.38 116.57 117.72 1ynr h LYS 30 Ca 0.31 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.89 1ynr h LYS 30 Cb 0.46 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1ynr h LYS 30 CO -0.41 0.74 -0.26 -0.22 -0.57 0.00 0.00 179.45 178.73 1ynr h LYS 31 N 1.15 0.94 0.00 3.15 3.64 -0.88 -3.39 116.57 121.19 1ynr h LYS 31 Ca 0.36 -0.44 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1ynr h LYS 31 Cb -0.01 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1ynr h LYS 31 CO -0.11 1.10 -1.59 0.66 -2.27 0.00 0.00 179.45 177.24 1ynr n TYR 32 N -4.13 0.00 -1.81 1.91 4.02 -0.75 -4.93 117.16 111.48 1ynr n TYR 32 Ca -0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.46 1ynr n TYR 32 Cb 0.48 -0.31 -0.02 0.00 -0.02 0.00 0.00 39.34 39.47 1ynr n TYR 32 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ynr s ALA 33 N -2.84 3.80 0.00 -0.72 0.00 -0.16 -1.31 121.76 120.53 1ynr s ALA 33 Ca -0.05 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.44 1ynr s ALA 33 Cb 0.08 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1ynr s ALA 33 CO 0.52 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.78 1ynr n GLY 34 N 2.96 1.05 3.84 0.00 0.00 -1.26 -5.02 105.19 106.76 1ynr n GLY 34 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1ynr n GLY 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ynr s ARG 35 N -0.36 4.05 0.16 1.61 0.52 -0.42 -5.03 118.95 119.48 1ynr s ARG 35 Ca 0.00 0.65 -0.34 0.00 -0.52 0.00 0.00 55.73 55.52 1ynr s ARG 35 Cb 0.00 -2.70 -0.14 0.00 0.52 0.00 0.00 34.95 32.63 1ynr s ARG 35 CO 0.00 0.32 1.58 1.17 0.02 0.00 0.00 175.30 178.39 1ynr n LYS 36 N 0.25 2.15 -1.63 3.54 4.81 -1.26 -2.62 118.16 123.39 1ynr n LYS 36 Ca -0.01 0.77 -0.15 0.00 -0.87 0.00 0.00 58.31 58.06 1ynr n LYS 36 Cb 0.52 -2.54 -0.05 0.00 0.02 0.00 0.00 35.03 32.98 1ynr n LYS 36 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1ynr n ASP 37 N 3.48 -4.68 -0.27 3.14 8.00 -1.26 -4.89 116.55 120.07 1ynr n ASP 37 Ca 0.17 0.27 -0.07 0.00 0.71 0.00 0.00 54.79 55.88 1ynr n ASP 37 Cb 0.29 -3.55 0.06 0.00 -0.02 0.00 0.00 41.12 37.90 1ynr n ASP 37 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ynr h ALA 38 N 0.17 0.98 0.20 2.24 0.00 -1.82 0.51 119.26 121.54 1ynr h ALA 38 Ca -0.31 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1ynr h ALA 38 Cb 1.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1ynr h ALA 38 CO 0.43 0.66 -0.14 0.28 0.00 0.00 0.00 179.25 180.48 1ynr h VAL 39 N 1.11 0.70 -0.73 0.00 2.07 -1.90 -1.47 116.25 116.04 1ynr h VAL 39 Ca 0.24 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.76 1ynr h VAL 39 Cb 0.29 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1ynr h VAL 39 CO -0.01 0.00 0.44 0.44 0.02 0.00 0.00 177.57 178.46 1ynr h ASP 40 N -0.34 0.87 0.45 0.57 3.32 -1.91 -0.19 116.42 119.19 1ynr h ASP 40 Ca -0.01 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 1ynr h ASP 40 Cb 0.29 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1ynr h ASP 40 CO 0.00 0.68 -0.25 0.22 -1.72 0.00 0.00 179.24 178.17 1ynr h TYR 41 N 0.99 -0.67 -0.59 4.55 3.20 -0.78 -2.04 116.97 121.62 1ynr h TYR 41 Ca 0.26 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.05 1ynr h TYR 41 Cb -0.04 0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 1ynr h TYR 41 CO -0.01 -0.40 0.09 -0.07 -1.64 0.00 0.00 178.16 176.13 1ynr h LEU 42 N -0.66 0.91 -0.85 2.82 3.38 -1.17 -2.49 115.31 117.25 1ynr h LEU 42 Ca -0.05 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.74 1ynr h LEU 42 Cb 0.53 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 1ynr h LEU 42 CO 0.07 0.92 0.56 0.00 0.09 0.00 0.00 178.44 180.07 1ynr h ALA 43 N 1.19 1.11 -0.66 1.53 0.00 -0.94 0.47 119.26 121.96 1ynr h ALA 43 Ca 0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1ynr h ALA 43 Cb 0.40 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1ynr h ALA 43 CO 0.01 0.43 0.30 0.78 0.00 0.00 0.00 179.25 180.76 1ynr h GLY 44 N 1.10 1.02 1.18 0.00 0.00 -1.09 -1.87 103.07 103.41 1ynr h GLY 44 Ca 0.33 -0.53 -0.11 0.00 0.00 0.00 0.00 47.33 47.02 1ynr h GLY 44 CO -0.10 0.50 -0.13 0.50 0.00 0.00 0.00 176.54 177.31 1ynr h LYS 45 N 0.91 0.96 -0.55 4.80 1.79 -0.97 -1.15 116.57 122.36 1ynr h LYS 45 Ca 0.22 -0.36 -0.01 0.00 -2.18 0.00 0.00 60.65 58.32 1ynr h LYS 45 Cb 0.15 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.71 1ynr h LYS 45 CO -0.02 1.03 0.29 0.82 -1.08 0.00 0.00 179.45 180.48 1ynr h ILE 46 N 0.85 1.19 0.05 1.86 2.04 -0.72 0.59 117.51 123.37 1ynr h ILE 46 Ca 0.13 -0.50 -0.22 0.00 1.00 0.00 0.00 64.86 65.28 1ynr h ILE 46 Cb 0.68 0.51 0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1ynr h ILE 46 CO 0.05 0.21 -0.88 0.50 0.00 0.00 0.00 178.15 178.03 1ynr h LYS 47 N 0.74 0.51 0.00 2.37 3.64 -1.33 -3.34 116.57 119.16 1ynr h LYS 47 Ca 0.19 -0.61 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1ynr h LYS 47 Cb 0.07 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1ynr h LYS 47 CO -0.03 1.24 -1.44 1.63 -2.27 0.00 0.00 179.45 178.58 1ynr n LYS 48 N -4.03 0.30 -0.07 1.90 5.02 -0.44 -1.35 118.16 119.49 1ynr n LYS 48 Ca -0.12 -0.09 0.01 0.00 -2.02 0.00 0.00 58.31 56.09 1ynr n LYS 48 Cb 0.81 -1.51 -0.00 0.00 -0.02 0.00 0.00 35.03 34.31 1ynr n LYS 48 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ynr n GLY 49 N 1.39 -2.11 0.00 0.72 0.00 0.21 -3.77 105.19 101.63 1ynr n GLY 49 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1ynr n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ynr n GLY 50 N -0.65 -0.81 3.34 -0.02 0.00 -0.33 -4.68 105.19 102.05 1ynr n GLY 50 Ca 0.00 -1.18 -0.10 0.00 0.00 0.00 0.00 46.02 44.73 1ynr n GLY 50 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ynr s SER 51 N 0.00 -0.25 0.00 1.61 1.04 -1.26 0.46 113.70 115.29 1ynr s SER 51 Ca 0.00 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1ynr s SER 51 Cb 0.00 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1ynr s SER 51 CO 0.00 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.95 1ynr n GLY 52 N -0.25 1.73 0.14 7.32 0.00 -0.58 -4.91 105.19 108.64 1ynr n GLY 52 Ca -0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 1ynr n GLY 52 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ynr h VAL 53 N 0.00 1.43 -0.01 1.61 2.07 -1.95 -3.38 116.25 116.03 1ynr h VAL 53 Ca 0.00 -2.25 0.00 0.00 0.82 0.00 0.00 66.70 65.27 1ynr h VAL 53 Cb 0.00 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1ynr h VAL 53 CO 0.00 0.65 -0.31 0.79 0.02 0.00 0.00 177.57 178.72 1ynr n TRP 54 N -4.14 0.00 -3.21 1.57 7.02 -1.26 -5.08 117.44 112.34 1ynr n TRP 54 Ca -0.12 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.36 1ynr n TRP 54 Cb 0.75 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.64 1ynr n TRP 54 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ynr n GLY 55 N 1.06 -0.29 0.65 6.99 0.00 -1.26 -5.01 105.19 107.33 1ynr n GLY 55 Ca 0.05 -1.28 0.08 0.00 0.00 0.00 0.00 46.02 44.87 1ynr n GLY 55 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ynr n SER 56 N 0.38 2.36 -4.64 1.61 7.64 -1.26 -1.53 113.62 118.18 1ynr n SER 56 Ca 0.00 -1.68 -0.40 0.00 1.01 0.00 0.00 58.87 57.80 1ynr n SER 56 Cb 0.00 -0.01 -0.06 0.00 -1.01 0.00 0.00 64.21 63.13 1ynr n SER 56 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1ynr s VAL 57 N -1.34 5.02 0.34 0.44 1.01 -1.26 -4.81 120.40 119.80 1ynr s VAL 57 Ca 0.19 1.10 -0.27 0.00 0.00 0.00 0.00 61.98 63.01 1ynr s VAL 57 Cb 0.14 -3.92 -0.09 0.00 0.00 0.00 0.00 36.38 32.51 1ynr s VAL 57 CO 0.20 0.08 1.08 -2.84 0.00 0.00 0.00 175.10 173.62 1ynr s PRO 58 N 2.20 4.39 -0.05 2.72 0.02 -1.26 -4.65 135.00 138.37 1ynr s PRO 58 Ca 0.26 1.68 -0.27 0.00 0.02 0.00 0.00 61.00 62.69 1ynr s PRO 58 Cb -0.16 -2.87 -0.03 0.00 0.02 0.00 0.00 34.50 31.46 1ynr s PRO 58 CO 0.09 0.02 0.84 1.41 -0.33 0.00 0.00 177.00 179.04 1ynr s MET 59 N -1.96 4.48 0.74 5.54 1.75 0.17 -4.95 119.30 125.07 1ynr s MET 59 Ca 0.51 1.14 -0.11 0.00 -1.25 0.00 0.00 55.69 55.99 1ynr s MET 59 Cb -0.28 -3.47 0.04 0.00 2.84 0.00 0.00 34.83 33.96 1ynr s MET 59 CO 0.35 -0.04 1.08 -2.14 -0.65 0.00 0.00 175.02 173.62 1ynr s PRO 60 N 1.07 2.55 0.71 4.11 0.02 -1.26 -1.18 135.00 141.02 1ynr s PRO 60 Ca 0.44 1.01 -0.16 0.00 0.02 0.00 0.00 61.00 62.31 1ynr s PRO 60 Cb -0.19 -1.94 0.02 0.00 0.02 0.00 0.00 34.50 32.40 1ynr s PRO 60 CO 0.22 -1.39 1.14 -2.30 -0.33 0.00 0.00 177.00 174.34 1ynr n PRO 61 N -3.33 0.67 -4.79 5.54 -0.02 -1.25 -4.00 135.00 127.81 1ynr n PRO 61 Ca 0.08 0.29 -0.29 0.00 -2.02 0.00 0.00 63.50 61.56 1ynr n PRO 61 Cb 0.54 -2.39 -0.14 0.00 -0.02 0.00 0.00 33.50 31.49 1ynr n PRO 61 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1ynr s GLN 62 N -3.51 1.68 -1.32 -0.52 -1.52 -0.46 -4.91 119.66 109.10 1ynr s GLN 62 Ca 0.77 -1.12 -0.15 0.00 -1.95 0.00 0.00 55.36 52.91 1ynr s GLN 62 Cb -0.35 -1.90 -0.02 0.00 -0.22 0.00 0.00 33.01 30.52 1ynr s GLN 62 CO 0.46 0.48 2.28 0.09 -0.25 0.00 0.00 175.29 178.35 1ynr n ASN 63 N 1.66 4.40 -4.16 5.90 3.02 -1.26 -4.81 115.26 120.01 1ynr n ASN 63 Ca -0.17 -2.74 -0.22 0.00 -0.03 0.00 0.00 54.58 51.42 1ynr n ASN 63 Cb 0.52 -1.51 -0.14 0.00 -0.61 0.00 0.00 39.78 38.05 1ynr n ASN 63 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1ynr s VAL 64 N 3.41 1.23 0.91 2.41 -7.23 -1.26 -5.06 120.40 114.81 1ynr s VAL 64 Ca 0.52 -0.92 -0.12 0.00 -1.81 0.00 0.00 61.98 59.65 1ynr s VAL 64 Cb 0.14 -1.08 0.14 0.00 0.56 0.00 0.00 36.38 36.14 1ynr s VAL 64 CO -0.04 0.14 1.11 0.42 -0.31 0.00 0.00 175.10 176.42 1ynr s THR 65 N -0.69 2.29 0.18 5.32 -4.23 -1.26 -4.82 115.64 112.43 1ynr s THR 65 Ca 0.04 0.09 -0.13 0.00 -1.18 0.00 0.00 61.69 60.51 1ynr s THR 65 Cb -0.07 -2.76 0.08 0.00 1.34 0.00 0.00 72.50 71.09 1ynr s THR 65 CO 0.01 -0.12 1.81 0.44 -0.54 0.00 0.00 174.62 176.21 1ynr h ASP 66 N -1.52 0.48 -0.74 3.99 3.45 -1.99 0.56 116.42 120.65 1ynr h ASP 66 Ca -0.51 0.01 -0.00 0.00 0.43 0.00 0.00 57.03 56.96 1ynr h ASP 66 Cb 1.31 -0.09 -0.04 0.00 -0.56 0.00 0.00 39.33 39.96 1ynr h ASP 66 CO 0.60 0.33 0.46 0.00 -1.57 0.00 0.00 179.24 179.06 1ynr h ALA 67 N 1.25 0.94 -0.51 3.45 0.00 -1.99 -1.31 119.26 121.09 1ynr h ALA 67 Ca 0.22 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1ynr h ALA 67 Cb 0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1ynr h ALA 67 CO -0.11 0.40 0.05 0.93 0.00 0.00 0.00 179.25 180.51 1ynr h GLU 68 N 1.01 0.87 -0.95 0.00 5.08 -1.84 -1.35 114.58 117.39 1ynr h GLU 68 Ca 0.27 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1ynr h GLU 68 Cb -0.05 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.06 1ynr h GLU 68 CO -0.05 0.88 0.63 0.00 -1.00 0.00 0.00 179.01 179.47 1ynr h ALA 69 N 0.96 1.33 -0.04 3.43 0.00 -0.54 0.01 119.26 124.41 1ynr h ALA 69 Ca 0.15 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 1ynr h ALA 69 Cb 0.45 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ynr h ALA 69 CO 0.02 0.62 -0.81 0.87 0.00 0.00 0.00 179.25 179.95 1ynr h LYS 70 N 1.28 0.37 -0.41 0.00 1.57 -1.04 -1.32 116.57 117.02 1ynr h LYS 70 Ca 0.35 -0.34 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 1ynr h LYS 70 Cb -0.13 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1ynr h LYS 70 CO -0.08 1.00 -0.11 0.37 -0.57 0.00 0.00 179.45 180.06 1ynr h GLN 71 N 0.23 0.80 -0.49 3.15 5.75 -0.98 -0.45 115.11 123.13 1ynr h GLN 71 Ca -0.05 -0.31 -0.02 0.00 -0.15 0.00 0.00 58.65 58.12 1ynr h GLN 71 Cb 1.41 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.90 1ynr h GLN 71 CO 0.14 0.93 0.21 -0.07 -2.65 0.00 0.00 178.83 177.39 1ynr h LEU 72 N 0.61 0.66 0.09 -2.39 3.38 -0.92 -0.70 115.31 116.05 1ynr h LEU 72 Ca 0.10 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1ynr h LEU 72 Cb 0.64 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1ynr h LEU 72 CO 0.04 0.63 -0.04 0.00 0.09 0.00 0.00 178.44 179.16 1ynr h ALA 73 N 1.06 -0.12 -0.83 1.53 0.00 -1.10 -0.32 119.26 119.47 1ynr h ALA 73 Ca 0.17 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.12 1ynr h ALA 73 Cb 0.16 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1ynr h ALA 73 CO -0.02 -0.56 0.49 1.96 0.00 0.00 0.00 179.25 181.12 1ynr h GLN 74 N -0.15 0.81 0.06 0.00 4.20 -0.95 -0.29 115.11 118.79 1ynr h GLN 74 Ca -0.01 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 1ynr h GLN 74 Cb 0.12 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.72 1ynr h GLN 74 CO 0.02 0.54 -0.03 2.35 -0.67 0.00 0.00 178.83 181.04 1ynr h TRP 75 N 0.84 -0.08 -0.58 2.96 7.01 -0.83 -2.70 115.95 122.58 1ynr h TRP 75 Ca 0.39 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.46 1ynr h TRP 75 Cb 0.31 0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 27.34 1ynr h TRP 75 CO -0.05 0.11 0.25 0.82 -2.79 0.00 0.00 178.44 176.78 1ynr h ILE 76 N -0.26 0.86 0.00 2.65 2.04 -0.66 -1.60 117.51 120.54 1ynr h ILE 76 Ca -0.01 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 1ynr h ILE 76 Cb 0.23 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1ynr h ILE 76 CO 0.01 0.08 -0.09 -0.07 0.00 0.00 0.00 178.15 178.09 1ynr h LEU 77 N 0.47 0.00 -0.02 1.44 3.38 -0.98 -2.31 115.31 117.28 1ynr h LEU 77 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1ynr h LEU 77 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1ynr h LEU 77 CO -0.24 0.09 -0.02 -1.54 0.09 0.00 0.00 178.44 176.82 1ynr n SER 78 N -3.62 0.06 0.00 -0.43 3.41 -0.60 -4.81 113.62 107.63 1ynr n SER 78 Ca -0.02 -0.13 0.10 0.00 -0.26 0.00 0.00 58.87 58.56 1ynr n SER 78 Cb 0.20 -0.27 0.60 0.00 -0.26 0.00 0.00 64.21 64.48 1ynr n SER 78 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50