#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 -0.25 -0.11 1.61 0.01 -1.26 -5.09 113.70 108.61 2yum s SER 2 Ca 0.00 -0.17 -0.04 0.00 1.31 0.00 0.00 55.95 57.05 2yum s SER 2 Cb 0.00 0.45 -0.01 0.00 0.21 0.00 0.00 66.02 66.67 2yum s SER 2 CO 0.00 -0.76 -0.07 0.28 0.41 0.00 0.00 173.24 173.10 2yum h SER 3 N 2.67 0.00 0.00 2.44 0.02 -2.10 -3.50 113.55 113.08 2yum h SER 3 Ca -0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 2yum h SER 3 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2yum h SER 3 CO 0.45 0.56 0.00 0.61 -1.14 0.00 0.00 176.83 177.31 2yum n GLY 4 N 1.72 0.92 3.40 -3.77 0.00 -1.26 -5.13 105.19 101.07 2yum n GLY 4 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 2yum n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yum s SER 5 N -0.52 4.25 0.02 1.61 0.01 -1.26 -5.11 113.70 112.70 2yum s SER 5 Ca 0.00 -0.28 -0.13 0.00 1.31 0.00 0.00 55.95 56.85 2yum s SER 5 Cb 0.00 -1.67 0.02 0.00 0.21 0.00 0.00 66.02 64.58 2yum s SER 5 CO 0.00 0.15 0.28 -0.55 0.41 0.00 0.00 173.24 173.54 2yum s SER 6 N 0.43 -0.11 0.00 2.44 0.15 -1.26 -5.16 113.70 110.18 2yum s SER 6 Ca -0.08 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.44 2yum s SER 6 Cb -0.15 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 2yum s SER 6 CO 0.04 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 174.55 2yum n GLY 7 N 0.84 4.79 2.28 9.45 0.00 -1.26 -5.02 105.19 116.27 2yum n GLY 7 Ca -0.20 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 44.95 2yum n GLY 7 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2yum n ASN 8 N 0.00 6.64 -2.01 1.61 3.02 -1.26 -4.47 115.26 118.79 2yum n ASN 8 Ca 0.00 -3.24 -0.25 0.00 -0.03 0.00 0.00 54.58 51.06 2yum n ASN 8 Cb 0.00 -1.14 0.07 0.00 -0.61 0.00 0.00 39.78 38.10 2yum n ASN 8 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2yum n GLN 9 N 0.45 2.98 -2.04 3.52 -0.00 -1.26 -5.04 117.38 115.99 2yum n GLN 9 Ca 0.43 -3.68 -0.33 0.00 -0.00 0.00 0.00 57.00 53.43 2yum n GLN 9 Cb 0.55 -2.21 0.01 0.00 -0.00 0.00 0.00 30.24 28.59 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 -3.63 3.50 0.46 2.61 1.02 -1.26 -5.07 118.68 116.31 2yum s LEU 10 Ca 0.55 1.84 0.06 0.00 0.02 0.00 0.00 54.13 56.60 2yum s LEU 10 Cb 0.45 -4.54 -0.02 0.00 0.02 0.00 0.00 46.19 42.10 2yum s LEU 10 CO 0.02 -1.19 0.26 0.26 0.02 0.00 0.00 176.35 175.72 2yum s TRP 11 N -2.42 2.28 0.20 0.29 0.52 -1.26 -5.15 118.94 113.39 2yum s TRP 11 Ca 0.64 -0.68 0.11 0.00 0.02 0.00 0.00 56.10 56.19 2yum s TRP 11 Cb -0.16 -1.95 -0.04 0.00 -1.15 0.00 0.00 33.47 30.16 2yum s TRP 11 CO 0.37 -0.04 -0.19 -0.08 0.02 0.00 0.00 176.95 177.02 2yum s THR 12 N -2.66 2.62 0.22 2.01 -1.32 -1.26 -4.99 115.64 110.26 2yum s THR 12 Ca 0.37 -1.96 -0.11 0.00 -1.21 0.00 0.00 61.69 58.78 2yum s THR 12 Cb 0.01 -2.28 0.26 0.00 -1.51 0.00 0.00 72.50 68.98 2yum s THR 12 CO 0.21 -0.14 1.62 1.62 -2.21 0.00 0.00 174.62 175.72 2yum h VAL 13 N 2.98 0.33 -0.61 5.08 3.04 -2.01 0.24 116.25 125.31 2yum h VAL 13 Ca -0.46 -0.01 0.12 0.00 -1.01 0.00 0.00 66.70 65.34 2yum h VAL 13 Cb 1.21 0.30 -0.09 0.00 -2.01 0.00 0.00 31.29 30.71 2yum h VAL 13 CO 0.51 0.00 0.11 -0.33 -1.01 0.00 0.00 177.57 176.85 2yum h GLU 14 N 0.03 0.23 0.00 4.17 4.39 -2.00 -1.82 114.58 119.58 2yum h GLU 14 Ca 0.34 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.03 2yum h GLU 14 Cb 0.55 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2yum h GLU 14 CO -0.69 0.15 -0.00 0.93 -1.16 0.00 0.00 179.01 178.24 2yum h GLU 15 N 0.24 -0.01 -0.86 2.33 5.08 -1.27 -0.52 114.58 119.57 2yum h GLU 15 Ca 0.32 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.88 2yum h GLU 15 Cb 0.49 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.58 2yum h GLU 15 CO -0.43 0.41 -0.09 1.96 -1.00 0.00 0.00 179.01 179.87 2yum h GLN 16 N -0.43 0.03 0.03 2.33 4.20 -0.07 0.60 115.11 121.81 2yum h GLN 16 Ca -0.00 -0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.48 2yum h GLN 16 Cb 0.42 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 2yum h GLN 16 CO 0.00 0.02 -0.98 1.57 -0.67 0.00 0.00 178.83 178.77 2yum h LYS 17 N 0.04 0.33 0.32 1.46 2.10 -1.35 -3.12 116.57 116.34 2yum h LYS 17 Ca 0.46 -0.39 -0.02 0.00 -2.00 0.00 0.00 60.65 58.70 2yum h LYS 17 Cb 0.81 0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.26 2yum h LYS 17 CO -0.83 1.09 -0.15 -0.22 -2.00 0.00 0.00 179.45 177.34 2yum h LYS 18 N 0.17 -0.41 -0.61 0.07 3.64 0.13 -2.98 116.57 116.58 2yum h LYS 18 Ca -0.08 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.40 2yum h LYS 18 Cb 1.64 0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 33.45 2yum h LYS 18 CO 0.16 -0.27 -0.52 1.25 -2.27 0.00 0.00 179.45 177.80 2yum h LEU 19 N -0.50 -1.79 -0.89 5.20 5.85 -0.18 -0.58 115.31 122.42 2yum h LEU 19 Ca -0.04 0.27 0.11 0.00 0.84 0.00 0.00 57.88 59.05 2yum h LEU 19 Cb 0.33 0.78 -0.13 0.00 0.37 0.00 0.00 40.66 42.00 2yum h LEU 19 CO 0.07 -0.34 -0.43 -0.62 -0.34 0.00 0.00 178.44 176.78 2yum n GLU 20 N -5.36 -0.29 -0.26 1.25 1.02 -1.18 0.81 120.64 116.62 2yum n GLU 20 Ca -0.00 1.37 -0.05 0.00 -0.02 0.00 0.00 57.16 58.46 2yum n GLU 20 Cb 0.33 -2.02 0.06 0.00 -0.02 0.00 0.00 31.44 29.79 2yum n GLU 20 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2yum h GLN 21 N 0.00 0.94 -0.85 3.49 1.08 -1.02 -2.22 115.11 116.53 2yum h GLN 21 Ca 0.24 -0.06 0.02 0.00 -1.45 0.00 0.00 58.65 57.40 2yum h GLN 21 Cb 0.46 -0.21 -0.04 0.00 -0.05 0.00 0.00 27.48 27.63 2yum h GLN 21 CO -0.87 0.62 0.56 -0.07 -0.95 0.00 0.00 178.83 178.12 2yum h LEU 22 N 0.97 0.94 -0.21 1.46 3.38 0.18 0.72 115.31 122.76 2yum h LEU 22 Ca 0.27 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.27 2yum h LEU 22 Cb -0.10 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.37 2yum h LEU 22 CO -0.06 0.67 -0.12 -0.07 0.09 0.00 0.00 178.44 178.94 2yum h LEU 23 N 1.10 -0.41 -0.13 1.67 3.38 0.29 0.26 115.31 121.47 2yum h LEU 23 Ca 0.32 0.09 -0.12 0.00 0.09 0.00 0.00 57.88 58.26 2yum h LEU 23 Cb -0.06 0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2yum h LEU 23 CO -0.08 -0.16 -0.39 0.40 0.09 0.00 0.00 178.44 178.30 2yum h ILE 24 N -0.11 1.36 -0.63 1.22 5.03 -1.40 -3.16 117.51 119.83 2yum h ILE 24 Ca 0.12 -1.68 0.09 0.00 -0.12 0.00 0.00 64.86 63.27 2yum h ILE 24 Cb 0.29 2.08 -0.04 0.00 -3.03 0.00 0.00 36.82 36.12 2yum h ILE 24 CO -0.28 0.51 0.42 0.50 -0.68 0.00 0.00 178.15 178.61 2yum h LYS 25 N 0.11 0.46 -5.31 2.37 3.64 -0.58 -3.39 116.57 113.87 2yum h LYS 25 Ca -0.01 -0.03 -0.61 0.00 -1.27 0.00 0.00 60.65 58.73 2yum h LYS 25 Cb 1.01 -0.10 -0.13 0.00 -0.41 0.00 0.00 32.23 32.60 2yum h LYS 25 CO 0.08 0.31 -0.18 0.71 -2.27 0.00 0.00 179.45 178.10 2yum s TYR 26 N -5.45 3.31 1.02 1.91 1.51 0.90 -5.06 117.35 115.48 2yum s TYR 26 Ca -0.08 0.55 -0.13 0.00 -1.01 0.00 0.00 57.07 56.40 2yum s TYR 26 Cb 0.20 -2.58 0.20 0.00 -0.11 0.00 0.00 41.96 39.67 2yum s TYR 26 CO 0.75 -0.14 1.09 -1.25 -1.11 0.00 0.00 175.55 174.90 2yum s PRO 27 N 1.76 0.28 0.93 -1.71 0.04 -1.26 -4.82 135.00 130.22 2yum s PRO 27 Ca 0.18 0.47 -0.12 0.00 0.04 0.00 0.00 61.00 61.57 2yum s PRO 27 Cb -0.15 -1.72 0.15 0.00 0.04 0.00 0.00 34.50 32.81 2yum s PRO 27 CO 0.09 -2.82 1.09 -1.25 0.04 0.00 0.00 177.00 174.15 2yum s PRO 28 N -4.97 0.97 0.28 0.56 0.04 -1.26 -4.98 135.00 125.63 2yum s PRO 28 Ca 0.66 0.72 0.06 0.00 0.04 0.00 0.00 61.00 62.48 2yum s PRO 28 Cb -0.19 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 2yum s PRO 28 CO 0.58 -2.41 0.23 -0.85 0.04 0.00 0.00 177.00 174.58 2yum n GLU 29 N -3.99 0.35 -0.04 4.56 0.00 -1.26 -5.05 120.64 115.21 2yum n GLU 29 Ca 0.06 -2.76 -0.13 0.00 0.00 0.00 0.00 57.16 54.33 2yum n GLU 29 Cb 0.56 2.23 -0.09 0.00 0.00 0.00 0.00 31.44 34.14 2yum n GLU 29 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2yum h GLU 30 N 0.00 0.21 -4.99 3.44 4.81 -2.00 -3.42 114.58 112.62 2yum h GLU 30 Ca -0.20 -0.13 -0.67 0.00 -0.13 0.00 0.00 59.36 58.24 2yum h GLU 30 Cb 0.99 0.01 -0.33 0.00 0.63 0.00 0.00 28.75 30.06 2yum h GLU 30 CO 0.29 0.70 -0.79 0.08 -0.73 0.00 0.00 179.01 178.56 2yum s VAL 31 N -4.03 2.56 0.05 0.32 1.01 -1.26 -5.03 120.40 114.03 2yum s VAL 31 Ca -0.15 -0.94 -0.10 0.00 0.00 0.00 0.00 61.98 60.79 2yum s VAL 31 Cb 0.03 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 2yum s VAL 31 CO 0.73 0.37 0.82 1.21 0.00 0.00 0.00 175.10 178.22 2yum n GLU 32 N 4.65 -0.14 -0.32 2.72 2.13 -1.26 0.26 120.64 128.68 2yum n GLU 32 Ca -0.19 0.81 -0.05 0.00 0.66 0.00 0.00 57.16 58.40 2yum n GLU 32 Cb 0.49 -1.20 -0.02 0.00 0.27 0.00 0.00 31.44 30.98 2yum n GLU 32 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2yum n SER 33 N -3.75 -0.67 -0.36 4.31 3.41 -1.26 0.63 113.62 115.93 2yum n SER 33 Ca 0.01 1.40 0.03 0.00 -0.26 0.00 0.00 58.87 60.04 2yum n SER 33 Cb 0.09 -0.25 0.10 0.00 -0.26 0.00 0.00 64.21 63.88 2yum n SER 33 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2yum n ARG 34 N -5.08 -0.15 0.05 4.33 5.12 0.14 -0.77 116.66 120.30 2yum n ARG 34 Ca 0.05 1.52 -0.05 0.00 -1.93 0.00 0.00 57.85 57.45 2yum n ARG 34 Cb 0.26 -2.27 -0.03 0.00 -1.16 0.00 0.00 32.46 29.26 2yum n ARG 34 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 2yum h ARG 35 N 0.00 -0.23 -0.83 5.56 2.43 0.26 -2.47 114.38 119.09 2yum h ARG 35 Ca 0.42 0.02 0.20 0.00 -0.81 0.00 0.00 59.98 59.81 2yum h ARG 35 Cb 0.66 0.05 -0.14 0.00 -0.42 0.00 0.00 29.97 30.12 2yum h ARG 35 CO -1.00 -0.16 0.06 -1.49 -1.51 0.00 0.00 179.97 175.87 2yum h TRP 36 N -0.24 0.03 -1.05 2.20 -0.00 -1.10 0.70 115.95 116.49 2yum h TRP 36 Ca -0.01 0.06 0.28 0.00 -0.00 0.00 0.00 58.89 59.22 2yum h TRP 36 Cb 0.23 0.12 -0.07 0.00 -0.00 0.00 0.00 29.16 29.44 2yum h TRP 36 CO -0.26 -0.27 0.71 0.37 -0.00 0.00 0.00 178.44 178.98 2yum h GLN 37 N 0.11 0.25 0.20 0.49 5.75 -0.51 0.88 115.11 122.28 2yum h GLN 37 Ca 0.48 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.96 2yum h GLN 37 Cb 0.91 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.40 2yum h GLN 37 CO -0.72 0.17 -0.10 0.87 -2.65 0.00 0.00 178.83 176.40 2yum h LYS 38 N 0.26 -0.26 -0.91 1.69 1.57 0.79 -3.20 116.57 116.51 2yum h LYS 38 Ca 0.56 0.02 0.22 0.00 -1.87 0.00 0.00 60.65 59.58 2yum h LYS 38 Cb 1.69 0.06 -0.12 0.00 0.08 0.00 0.00 32.23 33.93 2yum h LYS 38 CO -0.19 -0.14 0.43 0.82 -0.57 0.00 0.00 179.45 179.80 2yum h ILE 39 N -1.06 0.50 -0.03 1.86 2.04 -0.91 -1.02 117.51 118.89 2yum h ILE 39 Ca -0.03 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 65.71 2yum h ILE 39 Cb 0.25 0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 36.29 2yum h ILE 39 CO 0.05 0.08 -0.27 0.00 0.00 0.00 0.00 178.15 178.01 2yum h ALA 40 N 1.70 -0.35 -0.97 1.87 0.00 -0.95 -2.14 119.26 118.42 2yum h ALA 40 Ca 0.57 0.00 0.24 0.00 0.00 0.00 0.00 54.91 55.72 2yum h ALA 40 Cb 1.07 0.48 -0.18 0.00 0.00 0.00 0.00 17.79 19.16 2yum h ALA 40 CO -0.51 -0.77 -0.09 -3.47 0.00 0.00 0.00 179.25 174.41 2yum n ASP 41 N -5.38 -0.21 0.12 0.00 2.03 -0.39 0.10 116.55 112.82 2yum n ASP 41 Ca -0.04 1.66 -0.13 0.00 0.52 0.00 0.00 54.79 56.80 2yum n ASP 41 Cb 0.30 -0.56 -0.06 0.00 -0.72 0.00 0.00 41.12 40.08 2yum n ASP 41 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2yum h GLU 42 N 0.00 -0.38 -0.28 -0.67 4.39 -1.39 -2.84 114.58 113.40 2yum h GLU 42 Ca 0.54 0.03 0.04 0.00 0.34 0.00 0.00 59.36 60.30 2yum h GLU 42 Cb 1.00 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.70 2yum h GLU 42 CO -0.95 -0.25 0.05 -0.07 -1.16 0.00 0.00 179.01 176.62 2yum h LEU 43 N -0.40 -0.00 0.00 1.33 3.38 -0.17 -3.46 115.31 115.99 2yum h LEU 43 Ca 0.01 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2yum h LEU 43 Cb 0.40 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2yum h LEU 43 CO -0.08 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.09 2yum n GLY 44 N -1.21 2.43 0.13 0.83 0.00 0.20 -4.66 105.19 102.92 2yum n GLY 44 Ca -0.00 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 2yum n GLY 44 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2yum n ASN 45 N 0.93 2.04 -4.90 1.61 3.02 -1.26 -4.96 115.26 111.73 2yum n ASN 45 Ca 0.00 0.16 -0.28 0.00 -0.03 0.00 0.00 54.58 54.43 2yum n ASN 45 Cb 0.00 -0.76 0.00 0.00 -0.61 0.00 0.00 39.78 38.42 2yum n ASN 45 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2yum s ARG 46 N -2.52 3.49 0.19 3.52 1.81 -1.26 -5.10 118.95 119.08 2yum s ARG 46 Ca -0.28 0.27 0.09 0.00 -1.72 0.00 0.00 55.73 54.08 2yum s ARG 46 Cb 0.08 -2.32 -0.04 0.00 -0.45 0.00 0.00 34.95 32.22 2yum s ARG 46 CO 0.68 -0.31 -0.17 0.95 -0.68 0.00 0.00 175.30 175.77 2yum s THR 47 N -2.84 1.85 0.20 0.02 -4.23 -1.26 -4.62 115.64 104.76 2yum s THR 47 Ca 0.49 -2.09 -0.05 0.00 -1.18 0.00 0.00 61.69 58.85 2yum s THR 47 Cb -0.10 -1.98 0.33 0.00 1.34 0.00 0.00 72.50 72.09 2yum s THR 47 CO 0.46 -0.44 1.12 0.00 -0.54 0.00 0.00 174.62 175.22 2yum n ALA 48 N -0.09 0.18 0.04 3.99 0.00 -1.26 -0.69 120.51 122.68 2yum n ALA 48 Ca -0.10 0.79 -0.02 0.00 0.00 0.00 0.00 53.44 54.11 2yum n ALA 48 Cb 0.59 -0.48 -0.01 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.12 -1.31 0.00 1.79 -1.94 0.21 116.57 115.19 2yum h LYS 49 Ca 0.35 0.01 0.42 0.00 -2.18 0.00 0.00 60.65 59.25 2yum h LYS 49 Cb 0.54 0.03 -0.12 0.00 -1.58 0.00 0.00 32.23 31.10 2yum h LYS 49 CO -0.74 -0.08 0.85 1.96 -1.08 0.00 0.00 179.45 180.36 2yum h GLN 50 N -0.13 0.10 -0.16 3.15 1.08 -1.43 1.02 115.11 118.74 2yum h GLN 50 Ca -0.01 -0.01 -0.22 0.00 -1.45 0.00 0.00 58.65 56.97 2yum h GLN 50 Cb 0.10 -0.02 0.01 0.00 -0.05 0.00 0.00 27.48 27.52 2yum h GLN 50 CO 0.01 0.07 -0.75 0.28 -0.95 0.00 0.00 178.83 177.48 2yum h VAL 51 N 0.11 1.28 -0.23 -0.54 2.07 -0.53 -2.26 116.25 116.15 2yum h VAL 51 Ca 0.80 -1.96 0.03 0.00 0.82 0.00 0.00 66.70 66.39 2yum h VAL 51 Cb 2.51 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 34.21 2yum h VAL 51 CO -0.39 0.62 0.03 0.00 0.02 0.00 0.00 177.57 177.85 2yum h ALA 52 N 0.60 0.22 -0.36 1.67 0.00 0.43 -1.15 119.26 120.68 2yum h ALA 52 Ca -0.04 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2yum h ALA 52 Cb 1.38 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2yum h ALA 52 CO 0.15 -0.39 -0.09 0.77 0.00 0.00 0.00 179.25 179.69 2yum h SER 53 N 0.11 0.70 -0.85 0.00 0.02 -1.45 -2.94 113.55 109.15 2yum h SER 53 Ca 0.11 -0.37 0.11 0.00 -0.84 0.00 0.00 61.79 60.80 2yum h SER 53 Cb 0.11 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.40 2yum h SER 53 CO -0.15 0.91 0.55 -0.61 -1.14 0.00 0.00 176.83 176.39 2yum h GLN 54 N 0.49 0.73 -0.31 3.45 5.75 -1.10 -0.37 115.11 123.75 2yum h GLN 54 Ca 0.09 -0.04 -0.09 0.00 -0.15 0.00 0.00 58.65 58.45 2yum h GLN 54 Cb 0.60 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.97 2yum h GLN 54 CO 0.04 0.48 -0.20 0.28 -2.65 0.00 0.00 178.83 176.78 2yum h VAL 55 N 0.75 1.26 -0.36 2.39 2.07 -1.04 -2.27 116.25 119.05 2yum h VAL 55 Ca 0.41 -1.21 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 2yum h VAL 55 Cb 0.54 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 2yum h VAL 55 CO -0.17 0.39 0.05 1.56 0.02 0.00 0.00 177.57 179.41 2yum h GLN 56 N 0.51 0.54 -0.64 1.57 4.20 -0.93 -1.64 115.11 118.72 2yum h GLN 56 Ca 0.08 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2yum h GLN 56 Cb 0.63 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.32 2yum h GLN 56 CO 0.04 0.53 0.00 1.63 -0.67 0.00 0.00 178.83 180.37 2yum n LYS 57 N -4.31 3.45 -0.00 1.46 5.02 -1.04 -2.72 118.16 120.02 2yum n LYS 57 Ca 0.02 -2.54 0.03 0.00 -2.02 0.00 0.00 58.31 53.79 2yum n LYS 57 Cb 0.22 -1.83 -0.03 0.00 -0.02 0.00 0.00 35.03 33.36 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 0.98 0.00 0.07 2.13 4.02 -0.64 -4.57 117.16 119.14 2yum n TYR 58 Ca 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.12 2yum n TYR 58 Cb 0.81 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 40.12 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 -1.17 -0.95 -0.21 -0.72 3.01 -1.04 -4.70 117.46 111.68 2yum n PHE 59 Ca 0.01 0.17 0.03 0.00 1.01 0.00 0.00 57.45 58.67 2yum n PHE 59 Cb 0.09 0.33 0.28 0.00 -0.01 0.00 0.00 39.48 40.17 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 0.00 1.12 0.00 4.37 2.04 -1.72 -0.86 117.51 122.45 2yum h ILE 60 Ca 0.00 -0.32 -0.07 0.00 1.00 0.00 0.00 64.86 65.47 2yum h ILE 60 Cb 0.16 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 2yum h ILE 60 CO 0.00 0.17 -0.34 0.50 0.00 0.00 0.00 178.15 178.48 2yum h LYS 61 N 0.92 0.00 -1.45 2.37 3.64 -1.80 -3.02 116.57 117.23 2yum h LYS 61 Ca 0.30 0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 59.01 2yum h LYS 61 Cb 0.05 0.00 -0.34 0.00 -0.41 0.00 0.00 32.23 31.54 2yum h LYS 61 CO -0.09 0.34 0.30 1.47 -2.27 0.00 0.00 179.45 179.21 2yum n LEU 62 N -3.93 6.51 -0.06 5.20 -0.00 -0.35 -4.69 117.00 119.69 2yum n LEU 62 Ca -0.02 -4.78 -0.04 0.00 -0.00 0.00 0.00 56.01 51.17 2yum n LEU 62 Cb 0.40 -0.79 -0.01 0.00 -0.00 0.00 0.00 43.42 43.02 2yum n LEU 62 CO 0.37 1.86 -0.29 0.41 -0.00 0.00 0.00 177.39 179.74 2yum n THR 63 N -0.65 1.09 -5.17 1.47 -1.04 -1.09 -4.94 114.28 103.95 2yum n THR 63 Ca 0.51 0.28 -0.30 0.00 -2.04 0.00 0.00 64.05 62.50 2yum n THR 63 Cb 0.55 -2.18 -0.16 0.00 -1.82 0.00 0.00 70.33 66.73 2yum n THR 63 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2yum s LYS 64 N -2.00 1.94 0.15 -2.82 2.36 -1.26 -5.04 119.74 113.07 2yum s LYS 64 Ca -0.12 -0.90 -0.20 0.00 -2.55 0.00 0.00 55.97 52.19 2yum s LYS 64 Cb 0.02 -1.91 0.03 0.00 -1.05 0.00 0.00 37.83 34.92 2yum s LYS 64 CO 0.18 0.52 1.67 0.00 1.55 0.00 0.00 175.35 179.27 2yum h ALA 65 N 5.42 0.07 -0.74 3.13 0.00 -1.94 -2.07 119.26 123.14 2yum h ALA 65 Ca -0.42 0.10 0.26 0.00 0.00 0.00 0.00 54.91 54.85 2yum h ALA 65 Cb 1.13 0.32 -0.13 0.00 0.00 0.00 0.00 17.79 19.11 2yum h ALA 65 CO 0.47 -0.54 0.23 0.41 0.00 0.00 0.00 179.25 179.82 2yum n GLY 66 N -1.30 -0.75 3.77 0.00 0.00 -1.26 -4.34 105.19 101.30 2yum n GLY 66 Ca -0.00 0.65 -0.41 0.00 0.00 0.00 0.00 46.02 46.26 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 -5.35 2.29 -0.03 -0.61 1.01 -0.78 -4.93 121.20 112.79 2yum s ILE 67 Ca -0.08 0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.55 2yum s ILE 67 Cb 0.24 -3.18 -0.05 0.00 0.01 0.00 0.00 42.46 39.47 2yum s ILE 67 CO 0.57 0.06 1.48 -2.16 0.00 0.00 0.00 174.94 174.89 2yum s PRO 68 N -1.56 4.24 -0.26 2.79 0.04 -1.26 -4.98 135.00 134.01 2yum s PRO 68 Ca 0.54 2.02 -0.08 0.00 0.04 0.00 0.00 61.00 63.52 2yum s PRO 68 Cb -0.44 -3.72 -0.03 0.00 0.04 0.00 0.00 34.50 30.35 2yum s PRO 68 CO 0.56 -0.69 0.10 0.08 0.04 0.00 0.00 177.00 177.09 2yum s VAL 69 N 3.04 4.48 -0.10 -0.36 1.01 -1.26 -5.07 120.40 122.14 2yum s VAL 69 Ca 0.66 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.45 2yum s VAL 69 Cb -0.31 -3.12 0.05 0.00 0.00 0.00 0.00 36.38 33.00 2yum s VAL 69 CO 0.26 0.30 0.21 -0.94 0.00 0.00 0.00 175.10 174.93 2yum s SER 70 N 1.64 0.38 0.51 3.32 1.04 -1.26 -5.15 113.70 114.17 2yum s SER 70 Ca 0.06 0.45 -0.17 0.00 0.48 0.00 0.00 55.95 56.77 2yum s SER 70 Cb -0.15 0.44 -0.08 0.00 0.10 0.00 0.00 66.02 66.33 2yum s SER 70 CO 0.05 -0.22 1.00 -0.83 0.98 0.00 0.00 173.24 174.22 2yum s GLY 71 N 2.08 2.17 0.54 7.32 0.00 -1.26 -5.03 107.32 113.15 2yum s GLY 71 Ca -0.01 0.30 -0.19 0.00 0.00 0.00 0.00 44.72 44.82 2yum s GLY 71 CO -0.07 0.59 1.13 2.56 0.00 0.00 0.00 173.10 177.31 2yum s PRO 72 N -3.85 3.35 0.47 2.90 0.04 -1.26 -5.00 135.00 131.65 2yum s PRO 72 Ca 0.61 1.61 -0.22 0.00 0.04 0.00 0.00 61.00 63.04 2yum s PRO 72 Cb -0.12 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 2yum s PRO 72 CO 0.28 -0.85 1.14 -1.54 0.04 0.00 0.00 177.00 176.07 2yum s SER 73 N -1.78 6.16 -0.22 6.66 1.04 -1.26 -5.04 113.70 119.26 2yum s SER 73 Ca 0.73 2.23 -0.02 0.00 0.48 0.00 0.00 55.95 59.37 2yum s SER 73 Cb -0.24 -2.59 0.07 0.00 0.10 0.00 0.00 66.02 63.35 2yum s SER 73 CO 0.27 -0.92 0.02 -0.55 0.98 0.00 0.00 173.24 173.04 2yum s SER 74 N -1.49 3.33 0.00 7.02 0.15 -1.26 -4.97 113.70 116.48 2yum s SER 74 Ca 0.65 -1.04 0.20 0.00 0.70 0.00 0.00 55.95 56.47 2yum s SER 74 Cb -0.26 -0.79 1.21 0.00 -1.71 0.00 0.00 66.02 64.47 2yum s SER 74 CO 0.32 -0.30 1.60 0.61 1.20 0.00 0.00 173.24 176.66