#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yum n SER 2 N 0.00 1.35 -3.73 1.61 2.88 -1.26 -4.94 113.62 109.54 2yum n SER 2 Ca 0.00 1.13 -0.03 0.00 -1.33 0.00 0.00 58.87 58.63 2yum n SER 2 Cb 0.00 -1.15 -0.01 0.00 -0.75 0.00 0.00 64.21 62.29 2yum n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yum s SER 3 N 0.35 -0.16 -0.30 -3.46 0.15 -1.26 -5.16 113.70 103.86 2yum s SER 3 Ca 0.84 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.07 2yum s SER 3 Cb -0.99 0.48 0.19 0.00 -1.71 0.00 0.00 66.02 64.00 2yum s SER 3 CO 0.49 -0.89 0.61 -0.83 1.20 0.00 0.00 173.24 173.82 2yum s GLY 4 N -2.97 -1.05 -1.23 9.45 0.00 -1.26 -5.08 107.32 105.19 2yum s GLY 4 Ca 0.13 1.69 -0.14 0.00 0.00 0.00 0.00 44.72 46.39 2yum s GLY 4 CO 0.02 3.47 1.50 1.44 0.00 0.00 0.00 173.10 179.54 2yum n SER 5 N 5.43 5.17 -3.53 1.64 7.64 -1.26 -4.87 113.62 123.84 2yum n SER 5 Ca 0.00 -2.97 -0.01 0.00 1.01 0.00 0.00 58.87 56.91 2yum n SER 5 Cb 0.52 -1.60 -0.05 0.00 -1.01 0.00 0.00 64.21 62.07 2yum n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yum s SER 6 N 3.01 -0.66 0.00 6.43 0.15 -1.26 -5.17 113.70 116.21 2yum s SER 6 Ca 0.45 0.96 0.00 0.00 0.70 0.00 0.00 55.95 58.05 2yum s SER 6 Cb -0.01 1.59 0.00 0.00 -1.71 0.00 0.00 66.02 65.89 2yum s SER 6 CO 0.02 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2yum n GLY 7 N 4.60 2.85 3.30 9.45 0.00 -1.26 -5.09 105.19 119.04 2yum n GLY 7 Ca -0.13 -1.90 -0.18 0.00 0.00 0.00 0.00 46.02 43.80 2yum n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2yum s ASN 8 N 0.00 2.35 -1.56 1.61 2.47 -1.26 -4.80 114.94 113.75 2yum s ASN 8 Ca 0.00 -0.94 -0.05 0.00 0.42 0.00 0.00 52.86 52.29 2yum s ASN 8 Cb 0.00 -0.11 0.05 0.00 -1.45 0.00 0.00 41.25 39.74 2yum s ASN 8 CO 0.00 -0.16 0.30 0.00 -3.72 0.00 0.00 177.10 173.52 2yum n GLN 9 N -0.00 -1.99 -4.30 0.43 1.13 -1.26 -4.93 117.38 106.46 2yum n GLN 9 Ca -0.11 0.24 -0.35 0.00 -1.94 0.00 0.00 57.00 54.84 2yum n GLN 9 Cb 0.59 -4.22 -0.10 0.00 0.11 0.00 0.00 30.24 26.62 2yum n GLN 9 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2yum s LEU 10 N -7.22 3.56 0.06 1.08 2.96 -1.26 -5.04 118.68 112.82 2yum s LEU 10 Ca 0.19 0.07 -0.24 0.00 -0.22 0.00 0.00 54.13 53.92 2yum s LEU 10 Cb -0.10 -1.84 -0.13 0.00 0.50 0.00 0.00 46.19 44.61 2yum s LEU 10 CO 0.96 0.28 0.58 0.79 -1.32 0.00 0.00 176.35 177.64 2yum n TRP 11 N 2.79 0.09 -3.84 5.38 7.02 -1.26 -4.91 117.44 122.71 2yum n TRP 11 Ca -0.18 0.72 -0.32 0.00 -1.02 0.00 0.00 57.50 56.70 2yum n TRP 11 Cb 0.53 -1.43 -0.04 0.00 -2.42 0.00 0.00 31.31 27.95 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 -0.32 5.34 0.15 -0.99 -1.32 -1.26 -4.85 115.64 112.39 2yum s THR 12 Ca 0.55 -0.17 -0.14 0.00 -1.21 0.00 0.00 61.69 60.72 2yum s THR 12 Cb -0.79 -3.60 0.13 0.00 -1.51 0.00 0.00 72.50 66.73 2yum s THR 12 CO 0.40 0.19 1.08 0.52 -2.21 0.00 0.00 174.62 174.59 2yum n VAL 13 N 0.49 -0.39 -0.15 5.08 0.31 -1.26 0.36 118.33 122.77 2yum n VAL 13 Ca -0.06 1.64 -0.11 0.00 -0.01 0.00 0.00 64.34 65.80 2yum n VAL 13 Cb 0.52 -2.14 -0.06 0.00 -0.91 0.00 0.00 33.84 31.24 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 -0.32 0.30 5.55 5.08 -2.00 -1.80 114.58 121.40 2yum h GLU 14 Ca 0.22 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 2yum h GLU 14 Cb 0.39 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2yum h GLU 14 CO -0.68 -0.21 -0.14 0.93 -1.00 0.00 0.00 179.01 177.90 2yum h GLU 15 N -0.33 -0.39 -0.04 2.33 3.07 -0.48 -0.96 114.58 117.77 2yum h GLU 15 Ca 0.13 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 2yum h GLU 15 Cb 0.58 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 2yum h GLU 15 CO -0.61 -0.20 -0.03 1.04 -1.40 0.00 0.00 179.01 177.81 2yum n GLN 16 N -5.23 -0.02 -0.18 2.33 6.02 0.61 -0.04 117.38 120.88 2yum n GLN 16 Ca -0.10 0.89 -0.05 0.00 -0.01 0.00 0.00 57.00 57.73 2yum n GLN 16 Cb 0.21 -1.33 0.05 0.00 1.02 0.00 0.00 30.24 30.19 2yum n GLN 16 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 2yum h LYS 17 N 0.00 0.58 -0.98 -1.09 2.10 -1.40 -2.01 116.57 113.77 2yum h LYS 17 Ca 0.01 -0.03 0.26 0.00 -2.00 0.00 0.00 60.65 58.88 2yum h LYS 17 Cb 0.02 -0.13 -0.13 0.00 -0.90 0.00 0.00 32.23 31.09 2yum h LYS 17 CO -0.04 0.38 0.54 -0.22 -2.00 0.00 0.00 179.45 178.12 2yum h LYS 18 N 0.60 0.47 0.45 0.07 3.64 0.55 -2.16 116.57 120.19 2yum h LYS 18 Ca 0.22 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 2yum h LYS 18 Cb 0.07 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2yum h LYS 18 CO -0.12 0.31 -0.22 1.25 -2.27 0.00 0.00 179.45 178.41 2yum h LEU 19 N 0.49 -0.51 -0.79 5.20 5.85 0.28 -2.55 115.31 123.27 2yum h LEU 19 Ca 0.65 0.02 0.32 0.00 0.84 0.00 0.00 57.88 59.70 2yum h LEU 19 Cb 1.28 0.13 -0.13 0.00 0.37 0.00 0.00 40.66 42.32 2yum h LEU 19 CO -0.52 -0.16 0.45 -0.62 -0.34 0.00 0.00 178.44 177.26 2yum n GLU 20 N -4.77 -0.04 -0.01 1.25 1.02 -0.86 0.23 120.64 117.46 2yum n GLU 20 Ca -0.07 0.99 -0.17 0.00 -0.02 0.00 0.00 57.16 57.89 2yum n GLU 20 Cb 0.24 -1.82 -0.10 0.00 -0.02 0.00 0.00 31.44 29.73 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 0.40 -0.92 3.49 1.08 -1.44 -3.27 115.11 114.45 2yum h GLN 21 Ca 0.63 -0.38 0.02 0.00 -1.45 0.00 0.00 58.65 57.47 2yum h GLN 21 Cb 1.75 0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 29.23 2yum h GLN 21 CO -0.52 1.04 0.61 -0.07 -0.95 0.00 0.00 178.83 178.94 2yum h LEU 22 N -0.11 1.02 -0.53 1.46 3.38 0.33 -2.52 115.31 118.35 2yum h LEU 22 Ca -0.05 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.00 2yum h LEU 22 Cb 1.20 -0.25 -0.10 0.00 0.09 0.00 0.00 40.66 41.60 2yum h LEU 22 CO 0.10 0.72 -0.10 -0.07 0.09 0.00 0.00 178.44 179.18 2yum h LEU 23 N 1.20 -0.43 -0.20 1.67 3.38 -0.87 0.26 115.31 120.31 2yum h LEU 23 Ca 0.35 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.45 2yum h LEU 23 Cb -0.06 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2yum h LEU 23 CO -0.09 -0.16 0.04 0.40 0.09 0.00 0.00 178.44 178.73 2yum h ILE 24 N 0.03 1.21 -0.79 1.22 2.04 -1.55 -3.01 117.51 116.66 2yum h ILE 24 Ca 0.26 -0.69 0.07 0.00 1.00 0.00 0.00 64.86 65.51 2yum h ILE 24 Cb 0.40 1.28 -0.06 0.00 -0.74 0.00 0.00 36.82 37.69 2yum h ILE 24 CO -0.52 0.21 0.46 0.50 0.00 0.00 0.00 178.15 178.80 2yum h LYS 25 N 0.14 0.79 -3.85 2.37 3.64 -0.93 -3.32 116.57 115.42 2yum h LYS 25 Ca 0.06 -0.05 -0.75 0.00 -1.27 0.00 0.00 60.65 58.65 2yum h LYS 25 Cb 0.28 -0.18 -0.29 0.00 -0.41 0.00 0.00 32.23 31.63 2yum h LYS 25 CO 0.00 0.52 -0.14 0.71 -2.27 0.00 0.00 179.45 178.27 2yum s TYR 26 N -6.06 3.57 0.92 1.91 2.02 0.82 -5.07 117.35 115.46 2yum s TYR 26 Ca -0.13 -2.14 -0.12 0.00 -0.37 0.00 0.00 57.07 54.32 2yum s TYR 26 Cb 0.18 -3.58 0.14 0.00 -0.40 0.00 0.00 41.96 38.30 2yum s TYR 26 CO 0.78 -0.95 1.09 -1.25 -1.57 0.00 0.00 175.55 173.65 2yum s PRO 27 N 0.38 1.04 0.60 -1.71 0.04 -1.25 -4.73 135.00 129.38 2yum s PRO 27 Ca 0.15 0.74 -0.17 0.00 0.04 0.00 0.00 61.00 61.76 2yum s PRO 27 Cb -0.17 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 2yum s PRO 27 CO -0.05 -2.37 1.12 -1.25 0.04 0.00 0.00 177.00 174.49 2yum s PRO 28 N -4.94 3.07 0.27 0.56 0.04 -1.26 -4.98 135.00 127.76 2yum s PRO 28 Ca 0.64 1.49 -0.06 0.00 0.04 0.00 0.00 61.00 63.12 2yum s PRO 28 Cb -0.18 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 2yum s PRO 28 CO 0.57 -1.05 0.37 -1.83 0.04 0.00 0.00 177.00 175.10 2yum s GLU 29 N -3.71 1.57 0.28 4.56 -1.05 -1.26 -5.03 118.70 114.06 2yum s GLU 29 Ca 0.70 -1.54 0.02 0.00 -0.15 0.00 0.00 54.97 53.99 2yum s GLU 29 Cb -0.22 0.40 0.69 0.00 -0.44 0.00 0.00 34.13 34.56 2yum s GLU 29 CO 0.35 -0.62 1.41 -1.91 0.95 0.00 0.00 175.26 175.43 2yum n GLU 30 N -0.42 -0.07 -3.98 -4.83 2.13 -1.26 -3.73 120.64 108.48 2yum n GLU 30 Ca 0.01 1.34 -0.34 0.00 0.66 0.00 0.00 57.16 58.83 2yum n GLU 30 Cb 0.63 -2.14 -0.15 0.00 0.27 0.00 0.00 31.44 30.06 2yum n GLU 30 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2yum s VAL 31 N -5.86 2.77 0.09 6.31 1.01 -1.26 -4.97 120.40 118.48 2yum s VAL 31 Ca -0.12 -1.04 0.19 0.00 0.00 0.00 0.00 61.98 61.01 2yum s VAL 31 Cb 0.26 -2.40 0.15 0.00 0.00 0.00 0.00 36.38 34.39 2yum s VAL 31 CO 0.70 0.22 1.70 1.05 0.00 0.00 0.00 175.10 178.76 2yum h GLU 32 N 7.99 0.00 0.00 2.72 9.09 -2.00 -3.25 114.58 129.14 2yum h GLU 32 Ca -0.33 0.00 0.03 0.00 0.05 0.00 0.00 59.36 59.11 2yum h GLU 32 Cb 1.11 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 28.16 2yum h GLU 32 CO 0.57 0.36 -0.30 0.77 0.05 0.00 0.00 179.01 180.46 2yum h SER 33 N 0.00 -0.90 -0.68 3.06 0.02 -1.93 -1.50 113.55 111.62 2yum h SER 33 Ca -0.00 0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 2yum h SER 33 Cb 0.96 0.36 -0.03 0.00 0.14 0.00 0.00 62.40 63.83 2yum h SER 33 CO 0.05 -0.37 0.34 0.08 -1.14 0.00 0.00 176.83 175.79 2yum h ARG 34 N -0.45 0.99 -0.27 3.45 0.11 -2.00 -2.73 114.38 113.48 2yum h ARG 34 Ca 0.06 -0.13 0.05 0.00 0.10 0.00 0.00 59.98 60.07 2yum h ARG 34 Cb 0.54 -0.19 -0.05 0.00 1.11 0.00 0.00 29.97 31.38 2yum h ARG 34 CO -0.25 0.76 -0.07 -0.09 0.10 0.00 0.00 179.97 180.41 2yum h ARG 35 N 0.99 -0.01 -0.70 0.08 2.43 -1.38 -1.39 114.38 114.41 2yum h ARG 35 Ca 0.24 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 2yum h ARG 35 Cb 0.09 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 2yum h ARG 35 CO -0.03 -0.01 0.40 -1.49 -1.51 0.00 0.00 179.97 177.33 2yum h TRP 36 N -0.01 0.92 -0.76 2.20 -0.00 -1.05 -2.38 115.95 114.87 2yum h TRP 36 Ca 0.13 -0.00 0.04 0.00 -0.00 0.00 0.00 58.89 59.05 2yum h TRP 36 Cb 0.21 -0.30 -0.05 0.00 -0.00 0.00 0.00 29.16 29.02 2yum h TRP 36 CO -0.27 0.63 0.47 0.37 -0.00 0.00 0.00 178.44 179.64 2yum h GLN 37 N 0.96 0.89 -0.44 0.49 5.75 -0.98 0.92 115.11 122.69 2yum h GLN 37 Ca 0.25 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.68 2yum h GLN 37 Cb -0.01 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.32 2yum h GLN 37 CO -0.04 0.59 0.20 0.87 -2.65 0.00 0.00 178.83 177.80 2yum h LYS 38 N 0.91 0.64 0.07 1.69 1.57 -0.88 -1.80 116.57 118.78 2yum h LYS 38 Ca 0.31 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2yum h LYS 38 Cb 0.05 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2yum h LYS 38 CO -0.12 0.56 -0.03 0.82 -0.57 0.00 0.00 179.45 180.11 2yum h ILE 39 N 0.57 1.09 -0.02 1.86 2.04 -1.17 -2.96 117.51 118.93 2yum h ILE 39 Ca 0.15 -0.56 0.03 0.00 1.00 0.00 0.00 64.86 65.48 2yum h ILE 39 Cb 0.14 1.46 -0.06 0.00 -0.74 0.00 0.00 36.82 37.63 2yum h ILE 39 CO -0.02 0.14 -0.39 0.00 0.00 0.00 0.00 178.15 177.88 2yum h ALA 40 N 0.57 -0.60 -1.11 1.87 0.00 -0.77 -0.10 119.26 119.11 2yum h ALA 40 Ca -0.01 -0.03 0.31 0.00 0.00 0.00 0.00 54.91 55.18 2yum h ALA 40 Cb 0.30 0.70 -0.10 0.00 0.00 0.00 0.00 17.79 18.69 2yum h ALA 40 CO 0.02 -0.92 0.72 0.22 0.00 0.00 0.00 179.25 179.29 2yum h ASP 41 N -0.54 0.36 -0.04 0.00 1.82 -1.35 0.63 116.42 117.31 2yum h ASP 41 Ca 0.06 0.09 -0.03 0.00 -0.39 0.00 0.00 57.03 56.75 2yum h ASP 41 Cb 0.63 0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.67 2yum h ASP 41 CO -0.31 0.02 -0.09 -0.33 -1.61 0.00 0.00 179.24 176.91 2yum h GLU 42 N 0.29 0.13 -1.02 0.28 4.39 -0.91 -3.19 114.58 114.56 2yum h GLU 42 Ca 0.64 -0.09 0.24 0.00 0.34 0.00 0.00 59.36 60.49 2yum h GLU 42 Cb 1.80 0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 30.36 2yum h GLU 42 CO -0.30 0.69 0.63 -0.07 -1.16 0.00 0.00 179.01 178.80 2yum h LEU 43 N -0.41 0.59 0.00 1.33 3.38 0.66 -3.47 115.31 117.40 2yum h LEU 43 Ca -0.00 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2yum h LEU 43 Cb 0.69 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2yum h LEU 43 CO 0.02 0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.29 2yum n GLY 44 N -1.39 2.24 0.12 0.83 0.00 -0.87 -4.75 105.19 101.37 2yum n GLY 44 Ca 0.25 -0.75 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 2.27 -4.50 1.61 4.13 -1.26 -4.87 115.26 112.64 2yum n ASN 45 Ca 0.00 -0.09 -0.44 0.00 1.68 0.00 0.00 54.58 55.74 2yum n ASN 45 Cb 0.00 -0.37 -0.01 0.00 -1.54 0.00 0.00 39.78 37.87 2yum n ASN 45 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2yum n ARG 46 N -3.20 0.80 -4.19 3.52 5.12 -1.26 -4.99 116.66 112.46 2yum n ARG 46 Ca -0.39 0.28 -0.23 0.00 -1.93 0.00 0.00 57.85 55.58 2yum n ARG 46 Cb 0.90 -1.57 -0.07 0.00 -1.16 0.00 0.00 32.46 30.56 2yum n ARG 46 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 2yum s THR 47 N -1.24 3.10 0.39 0.55 -1.32 -1.26 -4.14 115.64 111.73 2yum s THR 47 Ca 0.62 -1.79 0.23 0.00 -1.21 0.00 0.00 61.69 59.54 2yum s THR 47 Cb -0.69 -2.92 0.41 0.00 -1.51 0.00 0.00 72.50 67.79 2yum s THR 47 CO 0.58 -0.24 1.62 0.00 -2.21 0.00 0.00 174.62 174.38 2yum h ALA 48 N 1.68 2.37 -0.39 11.08 0.00 -1.87 -1.78 119.26 130.35 2yum h ALA 48 Ca -0.44 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2yum h ALA 48 Cb 1.25 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2yum h ALA 48 CO 0.63 -1.03 0.00 1.63 0.00 0.00 0.00 179.25 180.48 2yum n LYS 49 N -4.94 0.00 -0.29 0.00 4.01 -1.26 -0.56 118.16 115.12 2yum n LYS 49 Ca 0.36 0.44 0.13 0.00 -0.51 0.00 0.00 58.31 58.72 2yum n LYS 49 Cb 1.27 -1.41 0.26 0.00 -0.51 0.00 0.00 35.03 34.63 2yum n LYS 49 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 2yum n GLN 50 N -1.81 -0.07 -0.18 1.97 1.13 -0.72 0.19 117.38 117.90 2yum n GLN 50 Ca 0.00 1.26 -0.10 0.00 -1.94 0.00 0.00 57.00 56.23 2yum n GLN 50 Cb 0.00 -2.01 0.01 0.00 0.11 0.00 0.00 30.24 28.34 2yum n GLN 50 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2yum h VAL 51 N 0.00 1.26 0.47 5.09 2.07 -1.37 -1.62 116.25 122.16 2yum h VAL 51 Ca 0.52 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 2yum h VAL 51 Cb 1.09 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 2yum h VAL 51 CO -0.79 0.37 -0.31 0.00 0.02 0.00 0.00 177.57 176.87 2yum h ALA 52 N 0.94 -0.76 -0.39 1.67 0.00 0.46 -0.06 119.26 121.13 2yum h ALA 52 Ca 0.15 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2yum h ALA 52 Cb 0.50 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2yum h ALA 52 CO 0.02 -0.94 0.20 0.77 0.00 0.00 0.00 179.25 179.30 2yum h SER 53 N -0.75 0.29 -0.16 0.00 0.02 -1.15 -2.72 113.55 109.09 2yum h SER 53 Ca -0.05 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 60.96 2yum h SER 53 Cb 0.62 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.09 2yum h SER 53 CO 0.04 0.21 -0.09 -0.61 -1.14 0.00 0.00 176.83 175.24 2yum h GLN 54 N 0.40 -0.08 -0.98 3.45 5.75 -1.13 -0.91 115.11 121.61 2yum h GLN 54 Ca 0.17 0.01 0.28 0.00 -0.15 0.00 0.00 58.65 58.95 2yum h GLN 54 Cb 0.07 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.59 2yum h GLN 54 CO -0.11 -0.05 0.70 0.28 -2.65 0.00 0.00 178.83 176.99 2yum h VAL 55 N -0.08 0.52 0.36 2.39 2.07 -0.69 -0.77 116.25 120.04 2yum h VAL 55 Ca 0.09 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 2yum h VAL 55 Cb 0.21 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2yum h VAL 55 CO -0.21 0.01 -0.17 1.56 0.02 0.00 0.00 177.57 178.78 2yum h GLN 56 N 0.05 -0.46 0.00 1.57 4.20 -0.97 0.09 115.11 119.60 2yum h GLN 56 Ca 0.48 0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.22 2yum h GLN 56 Cb 1.81 0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.69 2yum h GLN 56 CO -0.04 -0.19 0.00 0.36 -0.67 0.00 0.00 178.83 178.29 2yum n LYS 57 N -5.22 0.60 -0.10 1.46 2.85 -0.37 -0.48 118.16 116.90 2yum n LYS 57 Ca -0.10 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.04 2yum n LYS 57 Cb 0.26 -1.47 -0.12 0.00 -0.65 0.00 0.00 35.03 33.04 2yum n LYS 57 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2yum n TYR 58 N -0.97 0.00 -0.01 5.58 4.02 -0.73 -4.43 117.16 120.61 2yum n TYR 58 Ca 0.14 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.99 2yum n TYR 58 Cb 0.06 -0.89 -0.01 0.00 -0.02 0.00 0.00 39.34 38.48 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 -2.91 0.00 -0.20 -0.72 3.01 -0.03 -4.68 117.46 111.94 2yum n PHE 59 Ca -0.35 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.12 2yum n PHE 59 Cb 1.01 -0.20 0.11 0.00 -0.01 0.00 0.00 39.48 40.39 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 -0.40 0.62 -0.98 4.37 2.04 -0.94 -0.94 117.51 121.28 2yum h ILE 60 Ca 0.00 -0.08 0.38 0.00 1.00 0.00 0.00 64.86 66.15 2yum h ILE 60 Cb 0.40 0.35 -0.18 0.00 -0.74 0.00 0.00 36.82 36.66 2yum h ILE 60 CO 0.00 0.04 0.41 1.17 0.00 0.00 0.00 178.15 179.77 2yum n LYS 61 N -5.14 -0.06 -0.29 2.37 4.81 -0.65 -0.20 118.16 119.00 2yum n LYS 61 Ca 0.09 1.38 0.09 0.00 -0.87 0.00 0.00 58.31 59.01 2yum n LYS 61 Cb 0.33 -2.41 0.19 0.00 0.02 0.00 0.00 35.03 33.16 2yum n LYS 61 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2yum n LEU 62 N -5.28 -0.17 -3.16 3.14 4.77 -0.36 -4.56 117.00 111.39 2yum n LEU 62 Ca 0.34 1.39 -0.29 0.00 -0.03 0.00 0.00 56.01 57.42 2yum n LEU 62 Cb 1.14 -0.47 0.01 0.00 -2.33 0.00 0.00 43.42 41.77 2yum n LEU 62 CO -0.01 -1.38 -0.47 1.07 -1.33 0.00 0.00 177.39 175.27 2yum n THR 63 N -5.22 0.03 -2.47 -5.08 5.66 0.72 -4.90 114.28 103.01 2yum n THR 63 Ca 0.17 -0.37 -0.21 0.00 -3.05 0.00 0.00 64.05 60.58 2yum n THR 63 Cb 0.54 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.34 2yum n THR 63 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2yum n LYS 64 N 1.11 2.87 -3.92 1.09 5.02 -1.26 -5.02 118.16 118.04 2yum n LYS 64 Ca 0.06 -4.14 -0.10 0.00 -2.02 0.00 0.00 58.31 52.11 2yum n LYS 64 Cb 0.35 -2.00 -0.12 0.00 -0.02 0.00 0.00 35.03 33.23 2yum n LYS 64 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2yum s ALA 65 N -3.47 0.03 -1.62 7.82 0.00 -1.26 -4.84 121.76 118.42 2yum s ALA 65 Ca 0.43 -0.29 -0.01 0.00 0.00 0.00 0.00 51.96 52.08 2yum s ALA 65 Cb 0.41 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.60 2yum s ALA 65 CO -0.10 -0.09 0.12 0.41 0.00 0.00 0.00 175.76 176.10 2yum n GLY 66 N 2.24 -0.43 3.04 0.00 0.00 -1.26 -4.99 105.19 103.79 2yum n GLY 66 Ca -0.19 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.01 0.86 -0.14 -0.61 1.01 -1.26 -5.11 121.20 112.94 2yum s ILE 67 Ca 0.06 -0.45 -0.29 0.00 0.00 0.00 0.00 60.65 59.97 2yum s ILE 67 Cb -0.03 -0.73 -0.04 0.00 0.01 0.00 0.00 42.46 41.67 2yum s ILE 67 CO 0.08 0.25 1.55 -2.16 0.00 0.00 0.00 174.94 174.66 2yum s PRO 68 N -0.12 4.04 0.12 2.79 0.04 -1.26 -4.93 135.00 135.68 2yum s PRO 68 Ca 0.02 1.87 -0.35 0.00 0.04 0.00 0.00 61.00 62.58 2yum s PRO 68 Cb -0.06 -3.96 -0.17 0.00 0.04 0.00 0.00 34.50 30.36 2yum s PRO 68 CO -0.00 -0.99 1.14 0.28 0.04 0.00 0.00 177.00 177.47 2yum n VAL 69 N 5.81 0.61 -3.69 -0.36 0.31 -1.26 -4.97 118.33 114.79 2yum n VAL 69 Ca 0.17 -0.15 -0.10 0.00 -0.01 0.00 0.00 64.34 64.24 2yum n VAL 69 Cb 0.44 -0.62 -0.10 0.00 -0.91 0.00 0.00 33.84 32.66 2yum n VAL 69 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2yum s SER 70 N 0.03 -0.61 0.00 4.52 0.15 -1.26 -5.00 113.70 111.53 2yum s SER 70 Ca 0.78 1.05 0.00 0.00 0.70 0.00 0.00 55.95 58.48 2yum s SER 70 Cb -0.96 0.96 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 2yum s SER 70 CO 0.52 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.37 2yum n GLY 71 N 3.94 -2.45 0.16 9.45 0.00 -1.26 -3.99 105.19 111.04 2yum n GLY 71 Ca -0.20 -1.29 0.13 0.00 0.00 0.00 0.00 46.02 44.66 2yum n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yum h PRO 72 N 0.00 0.00 0.00 1.61 0.13 -2.00 -2.30 132.00 129.43 2yum h PRO 72 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2yum h PRO 72 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2yum h PRO 72 CO 0.00 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.20 2yum n SER 73 N -2.43 0.00 0.32 1.44 7.64 -1.26 -4.44 113.62 114.89 2yum n SER 73 Ca 0.02 0.55 -0.16 0.00 1.01 0.00 0.00 58.87 60.29 2yum n SER 73 Cb 0.24 -0.40 -0.08 0.00 -1.01 0.00 0.00 64.21 62.96 2yum n SER 73 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2yum h SER 74 N 0.00 -0.68 0.00 6.43 4.64 -1.76 -3.52 113.55 118.66 2yum h SER 74 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2yum h SER 74 Cb 0.00 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2yum h SER 74 CO 0.00 -0.41 0.00 0.61 -0.87 0.00 0.00 176.83 176.16