#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yum s SER 2 N 0.00 4.60 0.35 1.61 0.01 -1.26 -5.11 113.70 113.90 2yum s SER 2 Ca 0.00 -0.27 0.08 0.00 1.31 0.00 0.00 55.95 57.07 2yum s SER 2 Cb 0.00 -1.78 -0.04 0.00 0.21 0.00 0.00 66.02 64.41 2yum s SER 2 CO 0.00 0.05 0.21 -0.94 0.41 0.00 0.00 173.24 172.96 2yum s SER 3 N 1.09 4.86 -0.22 2.44 1.04 -1.26 -5.09 113.70 116.57 2yum s SER 3 Ca 0.02 -0.72 -0.28 0.00 0.48 0.00 0.00 55.95 55.45 2yum s SER 3 Cb -0.15 -0.76 0.00 0.00 0.10 0.00 0.00 66.02 65.22 2yum s SER 3 CO 0.01 -0.36 0.97 -0.83 0.98 0.00 0.00 173.24 174.00 2yum s GLY 4 N -3.92 1.80 -0.14 7.32 0.00 -1.26 -4.94 107.32 106.19 2yum s GLY 4 Ca 0.40 0.11 -0.12 0.00 0.00 0.00 0.00 44.72 45.11 2yum s GLY 4 CO 0.24 2.03 -0.23 -1.26 0.00 0.00 0.00 173.10 173.88 2yum n SER 5 N 6.04 1.71 -4.39 1.64 2.88 -1.26 -5.00 113.62 115.24 2yum n SER 5 Ca 0.10 0.47 -0.30 0.00 -1.33 0.00 0.00 58.87 57.81 2yum n SER 5 Cb 0.47 -0.79 -0.14 0.00 -0.75 0.00 0.00 64.21 63.00 2yum n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yum s SER 6 N -5.63 3.37 -0.03 -3.46 0.15 -1.26 -5.05 113.70 101.79 2yum s SER 6 Ca -0.19 -0.61 -0.24 0.00 0.70 0.00 0.00 55.95 55.61 2yum s SER 6 Cb 0.03 -0.34 -0.21 0.00 -1.71 0.00 0.00 66.02 63.79 2yum s SER 6 CO 0.29 0.23 1.16 1.23 1.20 0.00 0.00 173.24 177.34 2yum h GLY 7 N 4.41 0.17 -3.44 9.45 0.00 -2.01 -3.46 103.07 108.20 2yum h GLY 7 Ca -0.48 -0.24 -0.59 0.00 0.00 0.00 0.00 47.33 46.02 2yum h GLY 7 CO 0.43 0.21 -0.38 -2.01 0.00 0.00 0.00 176.54 174.80 2yum n ASN 8 N -4.62 -0.90 -4.35 0.19 2.85 -1.26 -4.80 115.26 102.37 2yum n ASN 8 Ca -0.09 0.80 -0.43 0.00 -0.11 0.00 0.00 54.58 54.76 2yum n ASN 8 Cb 0.40 -1.16 -0.01 0.00 1.24 0.00 0.00 39.78 40.25 2yum n ASN 8 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2yum n GLN 9 N 0.19 0.13 -4.12 1.20 -0.00 -1.26 -4.97 117.38 108.55 2yum n GLN 9 Ca 0.11 0.05 -0.22 0.00 -0.00 0.00 0.00 57.00 56.94 2yum n GLN 9 Cb 0.45 -1.11 -0.04 0.00 -0.00 0.00 0.00 30.24 29.53 2yum n GLN 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2yum s LEU 10 N 3.54 3.80 0.18 2.61 1.43 -1.26 -5.06 118.68 123.91 2yum s LEU 10 Ca 0.61 -0.26 -0.33 0.00 -1.03 0.00 0.00 54.13 53.12 2yum s LEU 10 Cb -0.68 -2.33 -0.13 0.00 0.03 0.00 0.00 46.19 43.07 2yum s LEU 10 CO 0.61 -0.03 1.60 0.79 0.23 0.00 0.00 176.35 179.54 2yum n TRP 11 N -1.12 2.38 -1.76 0.29 7.02 -1.26 -4.97 117.44 118.03 2yum n TRP 11 Ca -0.08 0.23 -0.30 0.00 -1.02 0.00 0.00 57.50 56.34 2yum n TRP 11 Cb 0.58 -2.57 0.07 0.00 -2.42 0.00 0.00 31.31 26.97 2yum n TRP 11 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 2yum s THR 12 N 0.87 3.10 0.32 -0.99 -1.32 -1.26 -4.78 115.64 111.58 2yum s THR 12 Ca 0.77 0.36 0.00 0.00 -1.21 0.00 0.00 61.69 61.61 2yum s THR 12 Cb -0.64 -3.26 0.27 0.00 -1.51 0.00 0.00 72.50 67.37 2yum s THR 12 CO 0.38 -0.47 1.97 1.62 -2.21 0.00 0.00 174.62 175.91 2yum h VAL 13 N -0.89 1.16 -0.77 5.08 3.04 -1.99 0.18 116.25 122.06 2yum h VAL 13 Ca -0.46 -0.34 -0.05 0.00 -1.01 0.00 0.00 66.70 64.83 2yum h VAL 13 Cb 1.27 0.06 -0.03 0.00 -2.01 0.00 0.00 31.29 30.58 2yum h VAL 13 CO 0.62 0.18 0.28 -0.33 -1.01 0.00 0.00 177.57 177.31 2yum h GLU 14 N 1.00 1.16 -0.00 4.17 5.08 -2.00 -2.29 114.58 121.71 2yum h GLU 14 Ca 0.30 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2yum h GLU 14 Cb -0.03 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.04 2yum h GLU 14 CO -0.08 0.96 -0.03 0.93 -1.00 0.00 0.00 179.01 179.79 2yum h GLU 15 N 1.13 0.02 -0.66 2.33 5.08 -1.74 -2.29 114.58 118.45 2yum h GLU 15 Ca 0.25 -0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.73 2yum h GLU 15 Cb 0.26 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.39 2yum h GLU 15 CO -0.02 0.80 -0.06 1.96 -1.00 0.00 0.00 179.01 180.70 2yum h GLN 16 N -0.75 0.07 -0.01 2.33 4.20 -0.65 0.39 115.11 120.68 2yum h GLN 16 Ca -0.00 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 2yum h GLN 16 Cb 0.81 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.58 2yum h GLN 16 CO 0.01 0.04 -0.00 1.57 -0.67 0.00 0.00 178.83 179.78 2yum h LYS 17 N 0.07 0.01 0.28 1.46 2.10 -1.51 -3.14 116.57 115.85 2yum h LYS 17 Ca 0.34 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.98 2yum h LYS 17 Cb 0.55 -0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.87 2yum h LYS 17 CO -0.61 0.40 -0.33 -0.22 -2.00 0.00 0.00 179.45 176.69 2yum h LYS 18 N -0.37 -0.60 -0.79 0.07 3.64 -0.69 -2.75 116.57 115.08 2yum h LYS 18 Ca 0.00 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.55 2yum h LYS 18 Cb 0.39 0.14 -0.13 0.00 -0.41 0.00 0.00 32.23 32.22 2yum h LYS 18 CO 0.00 -0.40 -0.29 -0.11 -2.27 0.00 0.00 179.45 176.38 2yum n LEU 19 N -4.35 -0.47 -0.20 5.20 7.94 0.13 0.92 117.00 126.16 2yum n LEU 19 Ca -0.07 1.37 -0.02 0.00 -1.11 0.00 0.00 56.01 56.17 2yum n LEU 19 Cb 0.29 -0.33 0.04 0.00 0.53 0.00 0.00 43.42 43.95 2yum n LEU 19 CO 0.16 -1.25 0.70 -0.33 -1.11 0.00 0.00 177.39 175.56 2yum h GLU 20 N 0.00 -0.07 -0.72 1.96 5.08 -1.43 0.26 114.58 119.66 2yum h GLU 20 Ca 0.29 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 2yum h GLU 20 Cb 0.49 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 2yum h GLU 20 CO -0.79 -0.05 0.43 1.96 -1.00 0.00 0.00 179.01 179.56 2yum h GLN 21 N -0.07 0.98 0.70 2.33 7.50 0.69 -3.09 115.11 124.14 2yum h GLN 21 Ca 0.27 -0.09 -0.03 0.00 0.50 0.00 0.00 58.65 59.30 2yum h GLN 21 Cb 0.50 -0.20 0.01 0.00 0.05 0.00 0.00 27.48 27.84 2yum h GLN 21 CO -0.66 0.71 -0.34 -0.07 -1.50 0.00 0.00 178.83 176.97 2yum h LEU 22 N 0.98 -0.80 -0.72 1.46 3.38 0.42 -1.86 115.31 118.17 2yum h LEU 22 Ca 0.26 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.36 2yum h LEU 22 Cb -0.02 0.21 -0.12 0.00 0.09 0.00 0.00 40.66 40.82 2yum h LEU 22 CO -0.05 -0.55 -0.26 0.18 0.09 0.00 0.00 178.44 177.85 2yum n LEU 23 N -5.48 -0.43 -0.04 1.67 4.77 0.70 0.87 117.00 119.04 2yum n LEU 23 Ca -0.14 1.26 -0.12 0.00 -0.03 0.00 0.00 56.01 56.98 2yum n LEU 23 Cb 0.39 -0.30 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 2yum n LEU 23 CO 0.38 -1.14 0.75 0.40 -1.33 0.00 0.00 177.39 176.44 2yum h ILE 24 N 0.00 1.25 -0.52 -0.08 2.04 -1.52 -3.21 117.51 115.46 2yum h ILE 24 Ca 0.27 -0.81 0.09 0.00 1.00 0.00 0.00 64.86 65.40 2yum h ILE 24 Cb 0.45 1.51 -0.10 0.00 -0.74 0.00 0.00 36.82 37.94 2yum h ILE 24 CO -0.72 0.24 -0.39 0.50 0.00 0.00 0.00 178.15 177.78 2yum h LYS 25 N -0.01 -0.22 -5.73 2.37 3.64 0.13 -3.37 116.57 113.38 2yum h LYS 25 Ca 0.04 0.02 -0.59 0.00 -1.27 0.00 0.00 60.65 58.84 2yum h LYS 25 Cb 0.36 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.14 2yum h LYS 25 CO 0.01 -0.15 0.26 0.71 -2.27 0.00 0.00 179.45 178.01 2yum s TYR 26 N -5.91 3.36 0.57 1.91 2.02 -0.17 -5.05 117.35 114.08 2yum s TYR 26 Ca -0.14 1.03 -0.18 0.00 -0.37 0.00 0.00 57.07 57.40 2yum s TYR 26 Cb 0.14 -2.91 -0.04 0.00 -0.40 0.00 0.00 41.96 38.75 2yum s TYR 26 CO 0.67 -0.26 1.12 -1.25 -1.57 0.00 0.00 175.55 174.27 2yum s PRO 27 N 2.24 3.21 0.81 -1.71 0.04 -1.26 -4.80 135.00 133.53 2yum s PRO 27 Ca 0.32 1.55 -0.11 0.00 0.04 0.00 0.00 61.00 62.80 2yum s PRO 27 Cb -0.16 -1.99 0.08 0.00 0.04 0.00 0.00 34.50 32.47 2yum s PRO 27 CO 0.10 -0.95 1.09 -1.25 0.04 0.00 0.00 177.00 176.03 2yum s PRO 28 N -3.51 1.99 0.07 0.56 0.04 -1.26 -5.02 135.00 127.87 2yum s PRO 28 Ca 0.71 1.08 -0.26 0.00 0.04 0.00 0.00 61.00 62.57 2yum s PRO 28 Cb -0.23 -1.87 0.08 0.00 0.04 0.00 0.00 34.50 32.52 2yum s PRO 28 CO 0.31 -1.81 0.72 -1.83 0.04 0.00 0.00 177.00 174.43 2yum s GLU 29 N -4.91 1.07 0.23 4.56 -1.05 -1.26 -5.05 118.70 112.30 2yum s GLU 29 Ca 0.62 -0.33 -0.10 0.00 -0.15 0.00 0.00 54.97 55.01 2yum s GLU 29 Cb -0.17 0.50 0.35 0.00 -0.44 0.00 0.00 34.13 34.36 2yum s GLU 29 CO 0.56 -0.46 1.62 1.49 0.95 0.00 0.00 175.26 179.43 2yum h GLU 30 N 2.11 0.04 -5.54 -4.83 4.57 -2.07 -3.32 114.58 105.54 2yum h GLU 30 Ca -0.29 -0.00 -0.63 0.00 -1.18 0.00 0.00 59.36 57.26 2yum h GLU 30 Cb 1.27 -0.01 -0.14 0.00 -0.16 0.00 0.00 28.75 29.70 2yum h GLU 30 CO 0.35 0.03 0.41 0.08 -1.18 0.00 0.00 179.01 178.70 2yum s VAL 31 N -6.19 4.53 0.12 0.32 1.01 -1.26 -4.88 120.40 114.05 2yum s VAL 31 Ca -0.14 -0.03 0.05 0.00 0.00 0.00 0.00 61.98 61.86 2yum s VAL 31 Cb 0.21 -4.48 -0.22 0.00 0.00 0.00 0.00 36.38 31.89 2yum s VAL 31 CO 0.75 -1.06 1.27 1.05 0.00 0.00 0.00 175.10 177.11 2yum h GLU 32 N 9.24 0.06 -0.80 2.72 9.09 -2.00 -3.22 114.58 129.67 2yum h GLU 32 Ca -0.27 -0.09 0.14 0.00 0.05 0.00 0.00 59.36 59.19 2yum h GLU 32 Cb 1.08 0.03 -0.09 0.00 -1.65 0.00 0.00 28.75 28.12 2yum h GLU 32 CO 1.06 1.03 0.37 0.66 0.05 0.00 0.00 179.01 182.18 2yum h SER 33 N 0.02 0.41 0.41 3.06 4.64 -1.94 0.33 113.55 120.49 2yum h SER 33 Ca -0.03 0.10 -0.19 0.00 -0.47 0.00 0.00 61.79 61.20 2yum h SER 33 Cb 1.78 0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.90 2yum h SER 33 CO 0.14 0.17 -0.78 0.08 -0.87 0.00 0.00 176.83 175.57 2yum h ARG 34 N 0.54 0.29 -0.14 4.77 0.11 -1.99 -3.02 114.38 114.94 2yum h ARG 34 Ca 0.44 -0.26 -0.00 0.00 0.10 0.00 0.00 59.98 60.25 2yum h ARG 34 Cb 0.63 0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.77 2yum h ARG 34 CO -0.38 0.94 0.07 -0.09 0.10 0.00 0.00 179.97 180.61 2yum h ARG 35 N 0.19 0.19 -0.42 0.08 2.43 -1.06 -2.94 114.38 112.85 2yum h ARG 35 Ca -0.04 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 2yum h ARG 35 Cb 1.37 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.86 2yum h ARG 35 CO 0.13 0.24 0.27 -1.49 -1.51 0.00 0.00 179.97 177.61 2yum h TRP 36 N 0.10 0.51 -0.70 2.20 -0.00 -1.07 -2.66 115.95 114.33 2yum h TRP 36 Ca 0.05 0.01 0.15 0.00 -0.00 0.00 0.00 58.89 59.10 2yum h TRP 36 Cb 0.11 -0.17 -0.12 0.00 -0.00 0.00 0.00 29.16 28.97 2yum h TRP 36 CO -0.03 0.32 -0.03 0.37 -0.00 0.00 0.00 178.44 179.07 2yum h GLN 37 N 0.56 0.09 -0.05 0.49 5.75 -1.39 0.22 115.11 120.77 2yum h GLN 37 Ca 0.16 -0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.66 2yum h GLN 37 Cb -0.05 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 2yum h GLN 37 CO -0.04 0.06 -0.01 0.87 -2.65 0.00 0.00 178.83 177.05 2yum h LYS 38 N 0.09 0.00 0.26 1.69 1.57 -1.31 -2.29 116.57 116.59 2yum h LYS 38 Ca 0.37 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.14 2yum h LYS 38 Cb 0.62 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 2yum h LYS 38 CO -0.63 0.00 -0.19 0.82 -0.57 0.00 0.00 179.45 178.88 2yum h ILE 39 N 0.01 0.59 -0.65 1.86 2.04 -0.87 -2.89 117.51 117.59 2yum h ILE 39 Ca 0.03 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.01 2yum h ILE 39 Cb 0.04 0.59 -0.12 0.00 -0.74 0.00 0.00 36.82 36.58 2yum h ILE 39 CO -0.05 0.00 -0.23 0.00 0.00 0.00 0.00 178.15 177.87 2yum h ALA 40 N 0.25 0.28 -0.99 1.87 0.00 -0.53 -0.41 119.26 119.74 2yum h ALA 40 Ca -0.02 0.23 0.18 0.00 0.00 0.00 0.00 54.91 55.31 2yum h ALA 40 Cb 0.39 0.61 -0.18 0.00 0.00 0.00 0.00 17.79 18.62 2yum h ALA 40 CO -0.00 -0.51 -0.29 0.22 0.00 0.00 0.00 179.25 178.67 2yum h ASP 41 N -0.06 -1.08 0.63 0.00 1.82 -1.19 0.16 116.42 116.70 2yum h ASP 41 Ca 0.30 0.30 -0.03 0.00 -0.39 0.00 0.00 57.03 57.21 2yum h ASP 41 Cb 0.52 0.66 0.00 0.00 0.68 0.00 0.00 39.33 41.19 2yum h ASP 41 CO -0.70 -0.31 -0.33 -0.33 -1.61 0.00 0.00 179.24 175.96 2yum h GLU 42 N -0.00 -0.85 -0.07 0.28 4.39 -1.10 -3.19 114.58 114.04 2yum h GLU 42 Ca 0.43 0.06 0.02 0.00 0.34 0.00 0.00 59.36 60.21 2yum h GLU 42 Cb 0.68 0.19 -0.06 0.00 -0.10 0.00 0.00 28.75 29.47 2yum h GLU 42 CO -1.00 -0.57 -0.51 -0.07 -1.16 0.00 0.00 179.01 175.70 2yum h LEU 43 N -0.88 -1.59 0.00 1.33 3.38 -0.63 -3.46 115.31 113.46 2yum h LEU 43 Ca -0.08 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2yum h LEU 43 Cb 0.69 0.61 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2yum h LEU 43 CO 0.12 -0.47 0.00 0.61 0.09 0.00 0.00 178.44 178.79 2yum n GLY 44 N -1.42 2.60 0.08 0.83 0.00 0.35 -4.77 105.19 102.86 2yum n GLY 44 Ca -0.06 -0.49 -0.15 0.00 0.00 0.00 0.00 46.02 45.32 2yum n GLY 44 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2yum h ASN 45 N 0.00 0.00 -3.85 1.61 2.35 -1.89 -3.47 115.58 110.33 2yum h ASN 45 Ca 0.00 -0.72 -0.50 0.00 -0.55 0.00 0.00 56.30 54.54 2yum h ASN 45 Cb 0.00 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.41 2yum h ASN 45 CO 0.00 1.10 0.22 -0.13 -1.65 0.00 0.00 177.43 176.97 2yum s ARG 46 N -2.21 3.61 0.31 0.81 1.81 -1.26 -5.10 118.95 116.93 2yum s ARG 46 Ca -0.20 0.44 0.10 0.00 -1.72 0.00 0.00 55.73 54.34 2yum s ARG 46 Cb 0.00 -2.28 -0.06 0.00 -0.45 0.00 0.00 34.95 32.17 2yum s ARG 46 CO 0.58 -0.29 -0.09 0.95 -0.68 0.00 0.00 175.30 175.77 2yum s THR 47 N -2.81 2.54 0.14 0.02 -4.23 -1.26 -4.72 115.64 105.32 2yum s THR 47 Ca 0.51 -2.18 -0.24 0.00 -1.18 0.00 0.00 61.69 58.59 2yum s THR 47 Cb -0.10 -2.59 -0.02 0.00 1.34 0.00 0.00 72.50 71.13 2yum s THR 47 CO 0.45 -0.28 1.28 0.00 -0.54 0.00 0.00 174.62 175.52 2yum n ALA 48 N -0.79 -0.46 0.04 3.99 0.00 -1.26 0.17 120.51 122.20 2yum n ALA 48 Ca -0.05 0.72 -0.03 0.00 0.00 0.00 0.00 53.44 54.08 2yum n ALA 48 Cb 0.62 -0.15 -0.02 0.00 0.00 0.00 0.00 19.45 19.90 2yum n ALA 48 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2yum h LYS 49 N 0.00 -0.15 -1.46 0.00 1.79 -1.93 0.11 116.57 114.92 2yum h LYS 49 Ca 0.16 0.01 0.46 0.00 -2.18 0.00 0.00 60.65 59.09 2yum h LYS 49 Cb 0.36 0.03 -0.11 0.00 -1.58 0.00 0.00 32.23 30.94 2yum h LYS 49 CO -0.79 -0.10 0.99 1.96 -1.08 0.00 0.00 179.45 180.43 2yum h GLN 50 N -0.16 0.06 -0.24 3.15 4.20 -1.71 1.20 115.11 121.61 2yum h GLN 50 Ca -0.01 -0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.50 2yum h GLN 50 Cb 0.14 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.91 2yum h GLN 50 CO -0.01 0.04 -0.62 0.28 -0.67 0.00 0.00 178.83 177.84 2yum h VAL 51 N 0.06 1.28 -0.24 -0.54 2.07 0.49 -3.02 116.25 116.35 2yum h VAL 51 Ca 0.82 -1.81 0.05 0.00 0.82 0.00 0.00 66.70 66.58 2yum h VAL 51 Cb 2.82 1.74 -0.05 0.00 -1.52 0.00 0.00 31.29 34.29 2yum h VAL 51 CO -0.28 0.59 -0.08 0.00 0.02 0.00 0.00 177.57 177.81 2yum h ALA 52 N 0.66 0.13 -0.77 1.67 0.00 0.35 -0.89 119.26 120.41 2yum h ALA 52 Ca -0.01 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2yum h ALA 52 Cb 1.24 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.21 2yum h ALA 52 CO 0.13 -0.49 0.50 0.77 0.00 0.00 0.00 179.25 180.16 2yum h SER 53 N -0.03 0.84 -0.08 0.00 0.02 -1.53 -2.71 113.55 110.06 2yum h SER 53 Ca 0.12 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2yum h SER 53 Cb 0.22 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2yum h SER 53 CO -0.27 0.59 -0.00 -0.61 -1.14 0.00 0.00 176.83 175.40 2yum h GLN 54 N 0.99 0.02 -0.95 3.45 5.75 -1.24 -2.01 115.11 121.13 2yum h GLN 54 Ca 0.29 -0.00 0.23 0.00 -0.15 0.00 0.00 58.65 59.03 2yum h GLN 54 Cb -0.05 -0.00 -0.07 0.00 1.07 0.00 0.00 27.48 28.43 2yum h GLN 54 CO -0.09 0.01 0.63 0.28 -2.65 0.00 0.00 178.83 177.02 2yum h VAL 55 N 0.02 0.61 -0.36 2.39 2.07 -0.87 0.15 116.25 120.25 2yum h VAL 55 Ca 0.04 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 2yum h VAL 55 Cb 0.04 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 2yum h VAL 55 CO -0.06 0.06 0.20 1.56 0.02 0.00 0.00 177.57 179.34 2yum h GLN 56 N 0.32 0.51 -0.95 1.57 1.08 -1.17 -1.80 115.11 114.66 2yum h GLN 56 Ca 0.50 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.59 2yum h GLN 56 Cb 1.39 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 28.69 2yum h GLN 56 CO -0.17 0.41 0.06 1.63 -0.95 0.00 0.00 178.83 179.82 2yum n LYS 57 N -4.77 1.55 0.00 1.46 5.02 0.02 -1.87 118.16 119.58 2yum n LYS 57 Ca -0.00 -0.64 0.00 0.00 -2.02 0.00 0.00 58.31 55.65 2yum n LYS 57 Cb 0.08 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 2yum n LYS 57 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2yum n TYR 58 N 0.14 0.00 -0.08 2.13 4.02 -0.72 -4.65 117.16 118.01 2yum n TYR 58 Ca 0.09 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.84 2yum n TYR 58 Cb 0.58 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.84 2yum n TYR 58 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2yum n PHE 59 N -2.12 0.00 0.18 -0.72 3.01 -0.95 -4.64 117.46 112.22 2yum n PHE 59 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.35 2yum n PHE 59 Cb 0.43 -0.57 -0.06 0.00 -0.01 0.00 0.00 39.48 39.28 2yum n PHE 59 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 2yum h ILE 60 N -0.28 0.30 -1.06 4.37 2.04 -1.58 -3.19 117.51 118.12 2yum h ILE 60 Ca -0.37 -0.67 0.36 0.00 1.00 0.00 0.00 64.86 65.18 2yum h ILE 60 Cb 1.43 0.48 -0.10 0.00 -0.74 0.00 0.00 36.82 37.90 2yum h ILE 60 CO -0.15 0.07 0.70 1.17 0.00 0.00 0.00 178.15 179.94 2yum n LYS 61 N -5.13 -0.02 -0.20 2.37 4.81 -1.12 0.49 118.16 119.36 2yum n LYS 61 Ca -0.08 0.89 -0.06 0.00 -0.87 0.00 0.00 58.31 58.19 2yum n LYS 61 Cb 0.26 -1.80 -0.00 0.00 0.02 0.00 0.00 35.03 33.51 2yum n LYS 61 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2yum h LEU 62 N 0.00 -1.24 -1.85 3.14 3.38 -1.81 0.47 115.31 117.40 2yum h LEU 62 Ca 0.65 0.23 0.07 0.00 0.09 0.00 0.00 57.88 58.91 2yum h LEU 62 Cb 2.16 0.60 -0.02 0.00 0.09 0.00 0.00 40.66 43.49 2yum h LEU 62 CO -0.29 -0.31 0.24 0.00 0.09 0.00 0.00 178.44 178.16 2yum h THR 63 N -0.18 0.92 -1.73 0.22 1.03 -0.16 -3.43 112.91 109.57 2yum h THR 63 Ca 0.22 -0.06 0.03 0.00 -0.01 0.00 0.00 66.41 66.58 2yum h THR 63 Cb 0.56 0.72 -0.24 0.00 -1.07 0.00 0.00 68.15 68.11 2yum h THR 63 CO -0.67 0.03 0.34 -0.54 -0.01 0.00 0.00 175.52 174.67 2yum s LYS 64 N -5.19 0.61 -0.13 0.00 1.02 0.16 -5.06 119.74 111.15 2yum s LYS 64 Ca -0.06 0.74 -0.12 0.00 0.02 0.00 0.00 55.97 56.54 2yum s LYS 64 Cb 0.18 0.29 -0.25 0.00 -0.52 0.00 0.00 37.83 37.53 2yum s LYS 64 CO 0.71 -0.07 0.41 0.00 -0.92 0.00 0.00 175.35 175.48 2yum h ALA 65 N 4.55 0.31 0.00 5.17 0.00 -1.81 -3.36 119.26 124.12 2yum h ALA 65 Ca -0.28 -1.26 -0.24 0.00 0.00 0.00 0.00 54.91 53.13 2yum h ALA 65 Cb 1.17 0.64 -0.05 0.00 0.00 0.00 0.00 17.79 19.54 2yum h ALA 65 CO 0.09 1.04 0.16 0.41 0.00 0.00 0.00 179.25 180.95 2yum n GLY 66 N 1.81 3.04 3.82 0.00 0.00 -1.26 -4.89 105.19 107.71 2yum n GLY 66 Ca -0.30 -1.18 -0.38 0.00 0.00 0.00 0.00 46.02 44.17 2yum n GLY 66 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2yum s ILE 67 N 1.26 5.12 0.06 -0.61 1.01 -1.26 -5.05 121.20 121.73 2yum s ILE 67 Ca 0.64 0.75 -0.31 0.00 0.00 0.00 0.00 60.65 61.73 2yum s ILE 67 Cb 0.29 -3.68 -0.07 0.00 0.01 0.00 0.00 42.46 39.01 2yum s ILE 67 CO -0.01 0.55 1.40 -2.16 0.00 0.00 0.00 174.94 174.72 2yum s PRO 68 N -0.82 4.30 -0.05 2.79 0.04 -1.26 -5.02 135.00 134.98 2yum s PRO 68 Ca 0.22 2.03 -0.03 0.00 0.04 0.00 0.00 61.00 63.26 2yum s PRO 68 Cb -0.16 -3.41 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 2yum s PRO 68 CO 0.11 -0.50 0.10 0.54 0.04 0.00 0.00 177.00 177.29 2yum s VAL 69 N 1.75 4.99 0.24 -0.36 0.11 -1.26 -5.01 120.40 120.86 2yum s VAL 69 Ca 0.65 -0.18 -0.05 0.00 -2.93 0.00 0.00 61.98 59.46 2yum s VAL 69 Cb -0.34 -3.23 0.19 0.00 -1.53 0.00 0.00 36.38 31.47 2yum s VAL 69 CO 0.29 0.46 1.77 0.77 -3.33 0.00 0.00 175.10 175.06 2yum h SER 70 N 4.45 0.45 -3.99 3.54 4.64 -2.03 -3.48 113.55 117.13 2yum h SER 70 Ca -0.51 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2yum h SER 70 Cb 1.20 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2yum h SER 70 CO 0.61 0.24 -0.09 0.61 -0.87 0.00 0.00 176.83 177.33 2yum n GLY 71 N -1.31 -2.99 3.63 -0.77 0.00 -1.26 -5.01 105.19 97.48 2yum n GLY 71 Ca 0.13 -1.21 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 2yum n GLY 71 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yum s PRO 72 N -4.74 -0.46 -0.19 1.61 0.04 -1.26 -5.04 135.00 124.98 2yum s PRO 72 Ca 0.00 0.21 -0.15 0.00 0.04 0.00 0.00 61.00 61.10 2yum s PRO 72 Cb 0.00 -1.66 -0.08 0.00 0.04 0.00 0.00 34.50 32.79 2yum s PRO 72 CO 0.00 -3.26 -0.17 -1.13 0.04 0.00 0.00 177.00 172.48 2yum n SER 73 N -4.49 1.88 -4.45 6.66 3.41 -1.26 -5.03 113.62 110.33 2yum n SER 73 Ca 0.09 0.47 -0.22 0.00 -0.26 0.00 0.00 58.87 58.95 2yum n SER 73 Cb 0.58 -0.85 -0.10 0.00 -0.26 0.00 0.00 64.21 63.58 2yum n SER 73 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2yum s SER 74 N -6.28 2.74 0.00 4.04 0.15 -1.26 -5.28 113.70 107.82 2yum s SER 74 Ca -0.25 -1.26 0.00 0.00 0.70 0.00 0.00 55.95 55.14 2yum s SER 74 Cb 0.05 -0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.20 2yum s SER 74 CO 0.39 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 175.01