#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 4.25 0.27 1.61 0.01 -1.26 -5.12 113.70 113.46 2yum s SER 2 Ca 0.00 -0.17 0.02 0.00 1.31 0.00 0.00 55.95 57.12 2yum s SER 2 Cb 0.00 -1.13 -0.06 0.00 0.21 0.00 0.00 66.02 65.04 2yum s SER 2 CO 0.00 0.31 0.06 -0.44 0.41 0.00 0.00 173.24 173.58 2yum s SER 3 N -0.49 1.67 -0.03 2.44 0.01 -1.26 -4.98 113.70 111.06 2yum s SER 3 Ca 0.07 -1.35 -0.00 0.00 1.31 0.00 0.00 55.95 55.98 2yum s SER 3 Cb -0.12 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.17 2yum s SER 3 CO 0.02 -0.65 0.03 0.61 0.41 0.00 0.00 173.24 173.66 2yum n GLY 4 N -0.52 -0.41 0.54 3.44 0.00 -1.26 -5.04 105.19 101.93 2yum n GLY 4 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2yum n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yum n SER 5 N -0.92 1.75 -4.41 1.61 2.88 -1.26 -5.07 113.62 108.20 2yum n SER 5 Ca 0.00 0.00 -0.46 0.00 -1.33 0.00 0.00 58.87 57.08 2yum n SER 5 Cb 0.40 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.84 2yum n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2yum n SER 6 N -2.56 -1.24 0.00 -3.46 2.88 -1.26 -4.83 113.62 103.15 2yum n SER 6 Ca 0.00 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 2yum n SER 6 Cb 0.39 -0.98 0.00 0.00 -0.75 0.00 0.00 64.21 62.87 2yum n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yum n GLY 7 N 1.97 2.25 1.82 0.46 0.00 -1.26 -4.98 105.19 105.45 2yum n GLY 7 Ca 0.16 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 2yum n GLY 7 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2yum n ASN 8 N 0.00 5.53 -3.78 1.61 0.23 -1.26 -4.68 115.26 112.91 2yum n ASN 8 Ca 0.00 -2.58 -0.30 0.00 -0.53 0.00 0.00 54.58 51.17 2yum n ASN 8 Cb 0.00 -1.24 -0.14 0.00 -2.08 0.00 0.00 39.78 36.31 2yum n ASN 8 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2yum s GLN 9 N 0.03 1.05 0.75 -3.83 -2.07 -1.26 -5.12 119.66 109.20 2yum s GLN 9 Ca 0.34 -1.53 -0.09 0.00 -1.82 0.00 0.00 55.36 52.26 2yum s GLN 9 Cb 0.18 -2.33 0.07 0.00 -1.09 0.00 0.00 33.01 29.84 2yum s GLN 9 CO -0.02 -1.04 1.08 -0.48 -1.32 0.00 0.00 175.29 173.52 2yum s LEU 10 N 1.06 2.70 0.05 2.60 -0.00 -1.26 -5.06 118.68 118.77 2yum s LEU 10 Ca 0.13 0.61 -0.18 0.00 -0.00 0.00 0.00 54.13 54.69 2yum s LEU 10 Cb -0.20 -3.20 -0.06 0.00 -0.00 0.00 0.00 46.19 42.72 2yum s LEU 10 CO -0.14 -1.71 0.53 0.26 -0.00 0.00 0.00 176.35 175.29 2yum s TRP 11 N -3.38 3.78 0.19 3.48 0.52 -1.26 -5.06 118.94 117.20 2yum s TRP 11 Ca 0.61 1.19 -0.25 0.00 0.02 0.00 0.00 56.10 57.67 2yum s TRP 11 Cb -0.11 -2.45 -0.08 0.00 -1.15 0.00 0.00 33.47 29.68 2yum s TRP 11 CO 0.47 0.59 0.80 -0.08 0.02 0.00 0.00 176.95 178.75 2yum s THR 12 N -1.05 4.34 0.20 2.01 -1.32 -1.26 -4.76 115.64 113.81 2yum s THR 12 Ca 0.28 1.72 -0.03 0.00 -1.21 0.00 0.00 61.69 62.44 2yum s THR 12 Cb -0.19 -4.13 0.31 0.00 -1.51 0.00 0.00 72.50 66.99 2yum s THR 12 CO 0.17 0.47 1.09 0.52 -2.21 0.00 0.00 174.62 174.66 2yum n VAL 13 N 1.43 -0.29 0.02 5.08 0.31 -1.26 0.13 118.33 123.75 2yum n VAL 13 Ca -0.04 1.58 -0.10 0.00 -0.01 0.00 0.00 64.34 65.77 2yum n VAL 13 Cb 0.49 -2.23 -0.04 0.00 -0.91 0.00 0.00 33.84 31.15 2yum n VAL 13 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2yum h GLU 14 N 0.00 -0.24 0.05 5.55 4.39 -2.00 -2.04 114.58 120.29 2yum h GLU 14 Ca 0.37 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 60.08 2yum h GLU 14 Cb 0.63 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 2yum h GLU 14 CO -0.70 -0.16 -0.02 0.93 -1.16 0.00 0.00 179.01 177.90 2yum h GLU 15 N -0.25 -0.06 -0.05 2.33 5.08 0.70 -0.65 114.58 121.68 2yum h GLU 15 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2yum h GLU 15 Cb 0.36 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2yum h GLU 15 CO -0.22 0.19 -0.04 1.96 -1.00 0.00 0.00 179.01 179.89 2yum h GLN 16 N -0.31 -0.01 -0.53 2.33 4.20 -0.35 0.21 115.11 120.65 2yum h GLN 16 Ca -0.01 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.75 2yum h GLN 16 Cb 0.28 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.02 2yum h GLN 16 CO 0.01 -0.01 0.28 1.57 -0.67 0.00 0.00 178.83 180.01 2yum h LYS 17 N -0.01 0.53 -0.28 1.46 2.10 -1.46 -2.93 116.57 115.98 2yum h LYS 17 Ca 0.01 -0.03 0.04 0.00 -2.00 0.00 0.00 60.65 58.66 2yum h LYS 17 Cb 0.03 -0.12 -0.06 0.00 -0.90 0.00 0.00 32.23 31.18 2yum h LYS 17 CO -0.05 0.35 -0.44 -0.22 -2.00 0.00 0.00 179.45 177.09 2yum h LYS 18 N 0.54 -0.33 -0.53 0.07 3.64 -0.14 -1.97 116.57 117.84 2yum h LYS 18 Ca 0.23 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.72 2yum h LYS 18 Cb 0.12 0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 31.91 2yum h LYS 18 CO -0.15 -0.22 -0.41 1.25 -2.27 0.00 0.00 179.45 177.65 2yum h LEU 19 N -0.35 -1.39 -0.94 5.20 5.85 -0.47 0.98 115.31 124.20 2yum h LEU 19 Ca 0.05 0.23 0.30 0.00 0.84 0.00 0.00 57.88 59.30 2yum h LEU 19 Cb 0.48 0.64 -0.17 0.00 0.37 0.00 0.00 40.66 41.98 2yum h LEU 19 CO -0.45 -0.34 0.16 -0.62 -0.34 0.00 0.00 178.44 176.86 2yum n GLU 20 N -5.41 -0.07 0.03 1.25 1.02 -0.77 0.11 120.64 116.80 2yum n GLU 20 Ca 0.02 1.38 -0.13 0.00 -0.02 0.00 0.00 57.16 58.41 2yum n GLU 20 Cb 0.35 -2.27 -0.09 0.00 -0.02 0.00 0.00 31.44 29.41 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 -0.10 -0.73 3.49 1.08 -0.53 -3.22 115.11 115.10 2yum h GLN 21 Ca 0.64 0.01 0.14 0.00 -1.45 0.00 0.00 58.65 57.98 2yum h GLN 21 Cb 1.44 0.02 -0.09 0.00 -0.05 0.00 0.00 27.48 28.80 2yum h GLN 21 CO -0.84 0.33 0.27 -0.07 -0.95 0.00 0.00 178.83 177.57 2yum h LEU 22 N -0.58 0.22 -0.71 1.46 3.38 0.52 -0.72 115.31 118.88 2yum h LEU 22 Ca -0.01 0.11 0.15 0.00 0.09 0.00 0.00 57.88 58.22 2yum h LEU 22 Cb 0.48 0.10 -0.11 0.00 0.09 0.00 0.00 40.66 41.23 2yum h LEU 22 CO 0.02 0.08 0.13 -0.07 0.09 0.00 0.00 178.44 178.69 2yum h LEU 23 N 0.41 -0.07 -0.22 1.67 3.38 -0.70 0.27 115.31 120.05 2yum h LEU 23 Ca 0.40 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.50 2yum h LEU 23 Cb 0.61 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2yum h LEU 23 CO -0.41 -0.06 0.06 0.40 0.09 0.00 0.00 178.44 178.52 2yum h ILE 24 N 0.23 1.20 -0.96 1.22 2.04 -1.17 -2.97 117.51 117.09 2yum h ILE 24 Ca 0.39 -0.64 0.02 0.00 1.00 0.00 0.00 64.86 65.63 2yum h ILE 24 Cb 0.67 1.21 -0.05 0.00 -0.74 0.00 0.00 36.82 37.90 2yum h ILE 24 CO -0.52 0.20 0.63 0.50 0.00 0.00 0.00 178.15 178.97 2yum h LYS 25 N 0.18 1.23 -3.83 2.37 3.64 -0.61 -3.33 116.57 116.22 2yum h LYS 25 Ca 0.07 -0.07 -0.75 0.00 -1.27 0.00 0.00 60.65 58.63 2yum h LYS 25 Cb 0.26 -0.28 -0.29 0.00 -0.41 0.00 0.00 32.23 31.51 2yum h LYS 25 CO -0.00 0.81 -0.14 0.71 -2.27 0.00 0.00 179.45 178.57 2yum s TYR 26 N -6.11 3.57 0.95 1.91 2.02 0.83 -5.07 117.35 115.46 2yum s TYR 26 Ca -0.13 -2.17 -0.12 0.00 -0.37 0.00 0.00 57.07 54.29 2yum s TYR 26 Cb 0.18 -3.58 0.16 0.00 -0.40 0.00 0.00 41.96 38.32 2yum s TYR 26 CO 0.81 -0.94 1.09 -1.25 -1.57 0.00 0.00 175.55 173.69 2yum s PRO 27 N 0.34 0.82 0.44 -1.71 0.04 -1.25 -4.71 135.00 128.97 2yum s PRO 27 Ca 0.15 0.66 -0.24 0.00 0.04 0.00 0.00 61.00 61.62 2yum s PRO 27 Cb -0.17 -1.77 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 2yum s PRO 27 CO -0.05 -2.50 1.17 -1.25 0.04 0.00 0.00 177.00 174.41 2yum s PRO 28 N -4.95 3.84 0.21 0.56 0.04 -1.26 -4.95 135.00 128.49 2yum s PRO 28 Ca 0.64 1.80 0.04 0.00 0.04 0.00 0.00 61.00 63.53 2yum s PRO 28 Cb -0.18 -2.49 -0.01 0.00 0.04 0.00 0.00 34.50 31.86 2yum s PRO 28 CO 0.57 -0.49 0.14 -0.85 0.04 0.00 0.00 177.00 176.41 2yum n GLU 29 N -0.33 0.39 -0.29 4.56 0.28 -1.26 -5.04 120.64 118.95 2yum n GLU 29 Ca 0.06 -1.99 0.05 0.00 -0.16 0.00 0.00 57.16 55.12 2yum n GLU 29 Cb 0.47 1.46 0.19 0.00 1.43 0.00 0.00 31.44 35.00 2yum n GLU 29 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 177.13 178.02 2yum h GLU 30 N 0.00 0.68 -4.58 3.44 4.11 -2.06 -3.35 114.58 112.82 2yum h GLU 30 Ca -0.15 -0.04 -0.70 0.00 0.07 0.00 0.00 59.36 58.53 2yum h GLU 30 Cb 0.71 -0.15 -0.29 0.00 0.50 0.00 0.00 28.75 29.52 2yum h GLU 30 CO 0.23 0.45 -0.55 0.08 0.07 0.00 0.00 179.01 179.29 2yum s VAL 31 N -6.00 3.89 0.32 -1.06 1.01 -1.26 -4.96 120.40 112.34 2yum s VAL 31 Ca -0.12 -1.30 0.03 0.00 0.00 0.00 0.00 61.98 60.59 2yum s VAL 31 Cb 0.20 -3.30 0.15 0.00 0.00 0.00 0.00 36.38 33.43 2yum s VAL 31 CO 0.78 -0.33 1.85 1.05 0.00 0.00 0.00 175.10 178.45 2yum h GLU 32 N 8.27 0.57 0.06 2.72 4.11 -2.01 -3.10 114.58 125.20 2yum h GLU 32 Ca -0.22 -0.13 0.02 0.00 0.07 0.00 0.00 59.36 59.11 2yum h GLU 32 Cb 1.08 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.20 2yum h GLU 32 CO 0.66 0.59 -0.43 0.77 0.07 0.00 0.00 179.01 180.68 2yum h SER 33 N 0.54 -1.29 -0.28 3.06 0.02 -1.95 -2.44 113.55 111.22 2yum h SER 33 Ca 0.11 0.15 0.06 0.00 -0.84 0.00 0.00 61.79 61.28 2yum h SER 33 Cb 0.35 0.49 -0.07 0.00 0.14 0.00 0.00 62.40 63.32 2yum h SER 33 CO 0.01 -0.48 -0.16 0.03 -1.14 0.00 0.00 176.83 175.09 2yum h ARG 34 N -0.62 -0.13 -0.93 3.45 3.08 -1.98 -2.30 114.38 114.94 2yum h ARG 34 Ca 0.03 0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.22 2yum h ARG 34 Cb 0.67 0.03 -0.14 0.00 0.08 0.00 0.00 29.97 30.61 2yum h ARG 34 CO -0.28 -0.09 -0.43 -0.09 -1.07 0.00 0.00 179.97 178.01 2yum h ARG 35 N -0.13 -0.03 -0.21 0.04 2.43 -1.38 0.19 114.38 115.28 2yum h ARG 35 Ca 0.15 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.36 2yum h ARG 35 Cb 0.36 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 2yum h ARG 35 CO -0.36 -0.02 -0.06 -1.49 -1.51 0.00 0.00 179.97 176.53 2yum h TRP 36 N -0.03 -0.14 -0.84 2.20 -0.00 -1.07 -2.01 115.95 114.06 2yum h TRP 36 Ca 0.29 0.02 0.21 0.00 -0.00 0.00 0.00 58.89 59.40 2yum h TRP 36 Cb 0.56 0.10 -0.13 0.00 -0.00 0.00 0.00 29.16 29.68 2yum h TRP 36 CO -0.88 -0.11 0.24 0.37 -0.00 0.00 0.00 178.44 178.06 2yum h GLN 37 N -0.02 0.25 -0.11 0.49 5.75 -0.28 0.18 115.11 121.37 2yum h GLN 37 Ca 0.11 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 2yum h GLN 37 Cb 0.18 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 2yum h GLN 37 CO -0.23 0.17 0.07 0.87 -2.65 0.00 0.00 178.83 177.06 2yum h LYS 38 N 0.26 0.15 0.02 1.69 1.57 -0.57 -1.80 116.57 117.89 2yum h LYS 38 Ca 0.51 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.27 2yum h LYS 38 Cb 0.96 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.24 2yum h LYS 38 CO -0.59 0.11 -0.01 0.82 -0.57 0.00 0.00 179.45 179.21 2yum h ILE 39 N 0.15 1.01 -0.01 1.86 2.04 -0.59 -3.15 117.51 118.82 2yum h ILE 39 Ca 0.04 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.83 2yum h ILE 39 Cb -0.01 1.08 -0.06 0.00 -0.74 0.00 0.00 36.82 37.10 2yum h ILE 39 CO -0.01 0.03 -0.46 0.00 0.00 0.00 0.00 178.15 177.71 2yum h ALA 40 N 0.90 -0.76 -0.77 1.87 0.00 -0.64 -2.06 119.26 117.81 2yum h ALA 40 Ca -0.00 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 54.99 2yum h ALA 40 Cb 0.07 0.82 -0.14 0.00 0.00 0.00 0.00 17.79 18.54 2yum h ALA 40 CO 0.00 -1.01 -0.24 -3.47 0.00 0.00 0.00 179.25 174.54 2yum n ASP 41 N -5.46 -0.37 0.17 0.00 2.03 -0.69 0.57 116.55 112.80 2yum n ASP 41 Ca -0.06 1.33 -0.14 0.00 0.52 0.00 0.00 54.79 56.44 2yum n ASP 41 Cb 0.38 -0.36 -0.07 0.00 -0.72 0.00 0.00 41.12 40.35 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 -0.47 -0.28 -0.67 4.39 -1.39 -2.91 114.58 113.26 2yum h GLU 42 Ca 0.32 0.03 0.05 0.00 0.34 0.00 0.00 59.36 60.11 2yum h GLU 42 Cb 0.52 0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 29.22 2yum h GLU 42 CO -0.78 -0.31 -0.06 -0.07 -1.16 0.00 0.00 179.01 176.63 2yum h LEU 43 N -0.49 -0.23 0.00 1.33 3.38 0.45 -3.46 115.31 116.29 2yum h LEU 43 Ca -0.01 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2yum h LEU 43 Cb 0.44 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2yum h LEU 43 CO -0.03 -0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.03 2yum n GLY 44 N -1.24 1.69 0.22 0.83 0.00 0.70 -4.58 105.19 102.83 2yum n GLY 44 Ca -0.01 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 0.76 -2.89 1.61 4.21 -1.88 -3.45 115.58 113.93 2yum h ASN 45 Ca 0.00 -0.42 -0.45 0.00 1.21 0.00 0.00 56.30 56.64 2yum h ASN 45 Cb 0.00 -0.21 0.07 0.00 -1.12 0.00 0.00 38.32 37.06 2yum h ASN 45 CO 0.00 1.01 0.10 -0.13 -1.29 0.00 0.00 177.43 177.13 2yum s ARG 46 N -4.56 2.13 0.13 0.81 1.81 -1.26 -5.12 118.95 112.89 2yum s ARG 46 Ca -0.12 -0.68 0.05 0.00 -1.72 0.00 0.00 55.73 53.26 2yum s ARG 46 Cb 0.09 -2.32 -0.04 0.00 -0.45 0.00 0.00 34.95 32.24 2yum s ARG 46 CO 0.82 -1.14 -0.12 0.95 -0.68 0.00 0.00 175.30 175.13 2yum s THR 47 N -3.06 1.27 0.13 0.02 -4.23 -1.26 -4.74 115.64 103.77 2yum s THR 47 Ca 0.61 -1.85 -0.18 0.00 -1.18 0.00 0.00 61.69 59.09 2yum s THR 47 Cb -0.09 -1.64 0.03 0.00 1.34 0.00 0.00 72.50 72.14 2yum s THR 47 CO 0.43 -0.54 1.09 0.00 -0.54 0.00 0.00 174.62 175.05 2yum n ALA 48 N 0.25 -0.31 0.03 3.99 0.00 -1.26 -0.86 120.51 122.34 2yum n ALA 48 Ca -0.13 0.64 -0.06 0.00 0.00 0.00 0.00 53.44 53.89 2yum n ALA 48 Cb 0.58 -0.18 -0.04 0.00 0.00 0.00 0.00 19.45 19.82 2yum n ALA 48 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2yum h LYS 49 N 0.00 -0.25 -0.97 0.00 3.11 -1.95 -1.17 116.57 115.33 2yum h LYS 49 Ca 0.16 0.02 0.19 0.00 -2.81 0.00 0.00 60.65 58.21 2yum h LYS 49 Cb 0.34 0.06 -0.18 0.00 -1.00 0.00 0.00 32.23 31.44 2yum h LYS 49 CO -0.68 -0.17 -0.26 1.96 -2.81 0.00 0.00 179.45 177.50 2yum h GLN 50 N -0.26 -0.00 -0.62 1.90 4.20 -1.41 0.61 115.11 119.54 2yum h GLN 50 Ca -0.00 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.80 2yum h GLN 50 Cb 0.27 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.98 2yum h GLN 50 CO -0.11 -0.00 0.25 0.28 -0.67 0.00 0.00 178.83 178.58 2yum h VAL 51 N -0.00 0.80 -0.38 -0.54 2.07 -0.55 -1.87 116.25 115.77 2yum h VAL 51 Ca 0.45 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.88 2yum h VAL 51 Cb 0.70 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 2yum h VAL 51 CO -1.00 0.08 0.06 0.00 0.02 0.00 0.00 177.57 176.74 2yum h ALA 52 N 1.41 0.40 -0.81 1.67 0.00 0.14 0.16 119.26 122.23 2yum h ALA 52 Ca 0.31 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.35 2yum h ALA 52 Cb 0.36 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 2yum h ALA 52 CO -0.29 -0.34 0.51 0.77 0.00 0.00 0.00 179.25 179.90 2yum h SER 53 N 0.18 0.82 -0.46 0.00 0.02 -0.72 -2.21 113.55 111.18 2yum h SER 53 Ca 0.18 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.02 2yum h SER 53 Cb 0.23 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 2yum h SER 53 CO -0.25 0.54 -0.19 -0.61 -1.14 0.00 0.00 176.83 175.18 2yum h GLN 54 N 0.96 0.94 -0.91 3.45 5.75 -0.67 -2.99 115.11 121.64 2yum h GLN 54 Ca 0.34 -0.40 0.14 0.00 -0.15 0.00 0.00 58.65 58.58 2yum h GLN 54 Cb 0.09 -0.03 -0.07 0.00 1.07 0.00 0.00 27.48 28.53 2yum h GLN 54 CO -0.14 1.06 0.58 0.28 -2.65 0.00 0.00 178.83 177.96 2yum h VAL 55 N 0.78 0.85 -0.44 2.39 2.07 -0.12 -1.30 116.25 120.49 2yum h VAL 55 Ca 0.11 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.40 2yum h VAL 55 Cb 0.76 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 2yum h VAL 55 CO 0.06 0.13 0.23 1.56 0.02 0.00 0.00 177.57 179.58 2yum h GLN 56 N 0.74 0.46 -0.61 1.57 4.20 -1.31 -0.12 115.11 120.03 2yum h GLN 56 Ca 0.46 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.14 2yum h GLN 56 Cb 0.68 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.36 2yum h GLN 56 CO -0.22 0.30 0.00 1.63 -0.67 0.00 0.00 178.83 179.88 2yum n LYS 57 N -4.88 1.23 -0.01 1.46 5.02 -0.52 -0.58 118.16 119.88 2yum n LYS 57 Ca 0.02 -0.22 -0.00 0.00 -2.02 0.00 0.00 58.31 56.09 2yum n LYS 57 Cb 0.09 -1.36 -0.03 0.00 -0.02 0.00 0.00 35.03 33.71 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 -0.10 0.00 -0.01 2.13 4.02 -0.12 -4.29 117.16 118.79 2yum n TYR 58 Ca 0.02 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.91 2yum n TYR 58 Cb 0.21 -0.16 -0.02 0.00 -0.02 0.00 0.00 39.34 39.35 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 -1.96 0.00 0.25 -0.72 3.01 -0.80 -4.37 117.46 112.87 2yum n PHE 59 Ca -0.04 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.53 2yum n PHE 59 Cb 0.44 -0.09 -0.08 0.00 -0.01 0.00 0.00 39.48 39.74 2yum n PHE 59 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2yum n ILE 60 N -1.91 0.18 0.03 4.37 5.41 0.25 -4.08 119.36 123.61 2yum n ILE 60 Ca -0.02 -0.40 -0.22 0.00 1.00 0.00 0.00 62.75 63.10 2yum n ILE 60 Cb 0.40 0.06 -0.14 0.00 -0.71 0.00 0.00 39.64 39.25 2yum n ILE 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2yum h LYS 61 N 0.00 0.30 0.00 0.38 3.64 -1.73 -3.31 116.57 115.85 2yum h LYS 61 Ca 0.00 -0.51 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2yum h LYS 61 Cb 0.89 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2yum h LYS 61 CO 0.00 1.24 0.00 1.47 -2.27 0.00 0.00 179.45 179.89 2yum n LEU 62 N -3.69 0.00 -4.53 5.20 -0.00 -1.26 -4.85 117.00 107.86 2yum n LEU 62 Ca -0.27 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.43 2yum n LEU 62 Cb 1.00 0.00 0.18 0.00 -0.00 0.00 0.00 43.42 44.60 2yum n LEU 62 CO 0.44 0.00 0.37 1.07 -0.00 0.00 0.00 177.39 179.27 2yum n THR 63 N -0.79 0.00 -1.60 1.47 5.66 -1.25 -4.95 114.28 112.82 2yum n THR 63 Ca 0.10 -0.17 -0.34 0.00 -3.05 0.00 0.00 64.05 60.59 2yum n THR 63 Cb 0.05 -0.88 0.07 0.00 -1.55 0.00 0.00 70.33 68.01 2yum n THR 63 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 2yum s LYS 64 N -4.26 2.47 0.07 1.09 -2.85 -1.26 -4.96 119.74 110.04 2yum s LYS 64 Ca 0.64 1.58 0.17 0.00 -1.00 0.00 0.00 55.97 57.36 2yum s LYS 64 Cb -0.22 -1.89 -0.13 0.00 -2.06 0.00 0.00 37.83 33.53 2yum s LYS 64 CO 0.62 -1.54 0.85 0.00 0.10 0.00 0.00 175.35 175.38 2yum h ALA 65 N -0.11 0.66 -1.49 0.59 0.00 -1.97 -3.36 119.26 113.58 2yum h ALA 65 Ca -0.47 -0.84 0.48 0.00 0.00 0.00 0.00 54.91 54.07 2yum h ALA 65 Cb 1.27 0.27 -0.12 0.00 0.00 0.00 0.00 17.79 19.21 2yum h ALA 65 CO 0.52 0.92 1.00 0.78 0.00 0.00 0.00 179.25 182.47 2yum h GLY 66 N 3.70 0.96 -5.05 0.00 0.00 -2.04 -3.42 103.07 97.22 2yum h GLY 66 Ca -0.16 -0.08 -0.67 0.00 0.00 0.00 0.00 47.33 46.42 2yum h GLY 66 CO 0.05 -0.31 -0.36 1.39 0.00 0.00 0.00 176.54 177.31 2yum n ILE 67 N -4.50 1.74 -2.26 2.60 5.41 -1.26 -4.89 119.36 116.20 2yum n ILE 67 Ca 0.39 -0.43 -0.35 0.00 1.00 0.00 0.00 62.75 63.36 2yum n ILE 67 Cb 1.60 -0.15 -0.00 0.00 -0.71 0.00 0.00 39.64 40.38 2yum n ILE 67 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2yum s PRO 68 N -0.93 3.43 -0.90 0.38 0.04 -1.26 -3.46 135.00 132.30 2yum s PRO 68 Ca 0.67 1.64 -0.11 0.00 0.04 0.00 0.00 61.00 63.23 2yum s PRO 68 Cb -0.94 -2.07 0.11 0.00 0.04 0.00 0.00 34.50 31.64 2yum s PRO 68 CO 0.56 -0.79 0.29 1.55 0.04 0.00 0.00 177.00 178.64 2yum n VAL 69 N -1.16 0.00 -0.89 -0.36 3.14 -1.26 -4.67 118.33 113.13 2yum n VAL 69 Ca 0.11 0.00 -0.28 0.00 -2.96 0.00 0.00 64.34 61.21 2yum n VAL 69 Cb 0.50 -0.24 0.01 0.00 -1.06 0.00 0.00 33.84 33.06 2yum n VAL 69 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2yum n SER 70 N -0.76 -2.77 -2.90 6.55 7.64 -1.22 -4.11 113.62 116.04 2yum n SER 70 Ca 0.06 0.45 -0.22 0.00 1.01 0.00 0.00 58.87 60.17 2yum n SER 70 Cb 0.22 -0.61 -0.12 0.00 -1.01 0.00 0.00 64.21 62.69 2yum n SER 70 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yum n GLY 71 N 1.86 -0.32 2.62 0.23 0.00 -1.26 -4.85 105.19 103.47 2yum n GLY 71 Ca 0.05 0.47 -0.22 0.00 0.00 0.00 0.00 46.02 46.32 2yum n GLY 71 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yum n PRO 72 N 4.77 -2.61 -3.77 1.61 -0.04 -1.26 -5.08 135.00 128.62 2yum n PRO 72 Ca 0.43 -1.31 -0.22 0.00 -0.04 0.00 0.00 63.50 62.36 2yum n PRO 72 Cb 0.05 -1.22 -0.04 0.00 -0.04 0.00 0.00 33.50 32.24 2yum n PRO 72 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2yum s SER 73 N -3.71 4.82 0.52 3.54 1.04 -1.26 -5.05 113.70 113.60 2yum s SER 73 Ca 0.53 -0.88 -0.04 0.00 0.48 0.00 0.00 55.95 56.04 2yum s SER 73 Cb -0.05 -0.51 -0.01 0.00 0.10 0.00 0.00 66.02 65.55 2yum s SER 73 CO 0.41 -0.63 0.81 -0.55 0.98 0.00 0.00 173.24 174.25 2yum s SER 74 N -4.06 5.88 0.00 7.02 0.15 -1.26 -5.23 113.70 116.20 2yum s SER 74 Ca 0.45 0.69 0.00 0.00 0.70 0.00 0.00 55.95 57.79 2yum s SER 74 Cb -0.01 -1.85 0.00 0.00 -1.71 0.00 0.00 66.02 62.45 2yum s SER 74 CO 0.26 -0.81 0.00 0.61 1.20 0.00 0.00 173.24 174.50