#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 0.45 -0.67 1.61 1.04 -1.26 -5.10 113.70 109.76 2yum s SER 2 Ca 0.00 -0.04 -0.14 0.00 0.48 0.00 0.00 55.95 56.25 2yum s SER 2 Cb 0.00 -0.21 0.17 0.00 0.10 0.00 0.00 66.02 66.08 2yum s SER 2 CO 0.00 -0.07 0.61 -0.55 0.98 0.00 0.00 173.24 174.20 2yum s SER 3 N 0.84 6.35 0.00 7.02 0.15 -1.26 -4.64 113.70 122.16 2yum s SER 3 Ca -0.09 -2.29 0.00 0.00 0.70 0.00 0.00 55.95 54.27 2yum s SER 3 Cb -0.12 -2.17 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 2yum s SER 3 CO -0.01 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.36 2yum n GLY 4 N 4.50 0.00 2.95 9.45 0.00 -1.26 -5.12 105.19 115.71 2yum n GLY 4 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 2yum n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yum s SER 5 N 0.00 4.46 -0.04 1.61 0.15 -1.26 -4.97 113.70 113.65 2yum s SER 5 Ca 0.00 -2.46 -0.24 0.00 0.70 0.00 0.00 55.95 53.95 2yum s SER 5 Cb 0.00 -1.52 -0.19 0.00 -1.71 0.00 0.00 66.02 62.60 2yum s SER 5 CO 0.00 -0.32 1.08 0.77 1.20 0.00 0.00 173.24 175.97 2yum h SER 6 N 7.19 -0.11 0.00 5.45 4.64 -2.01 -3.47 113.55 125.23 2yum h SER 6 Ca -0.06 -0.43 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2yum h SER 6 Cb 0.97 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2yum h SER 6 CO 0.57 0.42 0.00 0.61 -0.87 0.00 0.00 176.83 177.56 2yum n GLY 7 N 0.38 -1.15 3.89 -0.77 0.00 -1.26 -5.17 105.19 101.12 2yum n GLY 7 Ca -0.08 0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 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 6.36 0.14 1.61 2.47 -1.26 -5.04 114.94 119.22 2yum s ASN 8 Ca 0.00 1.05 -0.30 0.00 0.42 0.00 0.00 52.86 54.03 2yum s ASN 8 Cb 0.00 -2.29 -0.07 0.00 -1.45 0.00 0.00 41.25 37.44 2yum s ASN 8 CO 0.00 -0.53 1.12 -1.58 -3.72 0.00 0.00 177.10 172.39 2yum s GLN 9 N -4.43 4.55 0.21 0.43 2.00 -1.26 -5.04 119.66 116.12 2yum s GLN 9 Ca 0.49 1.72 -0.00 0.00 -2.00 0.00 0.00 55.36 55.57 2yum s GLN 9 Cb -0.10 -3.30 -0.04 0.00 0.80 0.00 0.00 33.01 30.37 2yum s GLN 9 CO 0.40 -0.01 0.39 -0.51 -0.50 0.00 0.00 175.29 175.06 2yum s LEU 10 N 0.01 4.22 0.48 3.68 1.43 -1.26 -5.08 118.68 122.17 2yum s LEU 10 Ca 0.52 0.38 -0.22 0.00 -1.03 0.00 0.00 54.13 53.78 2yum s LEU 10 Cb -0.29 -3.15 -0.07 0.00 0.03 0.00 0.00 46.19 42.70 2yum s LEU 10 CO 0.33 -0.05 1.14 0.26 0.23 0.00 0.00 176.35 178.26 2yum s TRP 11 N -1.89 2.86 0.16 0.29 0.52 -1.26 -5.05 118.94 114.57 2yum s TRP 11 Ca 0.38 1.55 0.07 0.00 0.02 0.00 0.00 56.10 58.12 2yum s TRP 11 Cb -0.11 -3.31 -0.04 0.00 -1.15 0.00 0.00 33.47 28.86 2yum s TRP 11 CO 0.29 -1.41 0.00 -0.08 0.02 0.00 0.00 176.95 175.77 2yum s THR 12 N -1.64 3.77 0.30 2.01 -1.32 -1.26 -4.89 115.64 112.60 2yum s THR 12 Ca 0.66 -1.36 0.05 0.00 -1.21 0.00 0.00 61.69 59.83 2yum s THR 12 Cb -0.26 -2.88 0.38 0.00 -1.51 0.00 0.00 72.50 68.23 2yum s THR 12 CO 0.31 -0.08 1.44 0.55 -2.21 0.00 0.00 174.62 174.63 2yum n VAL 13 N -0.03 -0.39 -0.03 5.08 3.14 -1.26 0.90 118.33 125.75 2yum n VAL 13 Ca -0.10 1.99 -0.09 0.00 -2.96 0.00 0.00 64.34 63.18 2yum n VAL 13 Cb 0.55 -2.97 -0.03 0.00 -1.06 0.00 0.00 33.84 30.33 2yum n VAL 13 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 2yum h GLU 14 N 0.00 0.05 0.37 1.45 4.39 -2.00 -2.45 114.58 116.39 2yum h GLU 14 Ca 0.60 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.28 2yum h GLU 14 Cb 1.31 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 2yum h GLU 14 CO -0.84 0.03 -0.18 0.93 -1.16 0.00 0.00 179.01 177.80 2yum h GLU 15 N 0.05 -0.48 -0.89 2.33 5.08 0.13 -2.08 114.58 118.73 2yum h GLU 15 Ca 0.08 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.57 2yum h GLU 15 Cb 0.10 0.11 -0.12 0.00 0.50 0.00 0.00 28.75 29.34 2yum h GLU 15 CO -0.13 -0.16 -0.46 1.04 -1.00 0.00 0.00 179.01 178.29 2yum n GLN 16 N -5.17 -0.33 -0.24 2.33 6.02 0.67 0.59 117.38 121.25 2yum n GLN 16 Ca -0.10 1.35 -0.06 0.00 -0.01 0.00 0.00 57.00 58.18 2yum n GLN 16 Cb 0.28 -1.99 0.04 0.00 1.02 0.00 0.00 30.24 29.59 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 0.95 0.25 -1.09 2.10 -1.49 -2.67 116.57 114.62 2yum h LYS 17 Ca 0.20 -0.14 0.01 0.00 -2.00 0.00 0.00 60.65 58.72 2yum h LYS 17 Cb 0.42 -0.17 -0.04 0.00 -0.90 0.00 0.00 32.23 31.54 2yum h LYS 17 CO -0.85 0.75 -0.46 -0.22 -2.00 0.00 0.00 179.45 176.67 2yum h LYS 18 N 0.92 -0.75 -0.69 0.07 3.64 0.89 -1.69 116.57 118.95 2yum h LYS 18 Ca 0.23 0.05 0.14 0.00 -1.27 0.00 0.00 60.65 59.80 2yum h LYS 18 Cb 0.11 0.17 -0.10 0.00 -0.41 0.00 0.00 32.23 32.00 2yum h LYS 18 CO -0.03 -0.50 0.19 1.25 -2.27 0.00 0.00 179.45 178.09 2yum h LEU 19 N -0.78 0.07 -0.05 5.20 5.85 -0.63 0.03 115.31 125.00 2yum h LEU 19 Ca -0.01 0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.87 2yum h LEU 19 Cb 0.75 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 2yum h LEU 19 CO -0.18 0.01 -0.30 -0.33 -0.34 0.00 0.00 178.44 177.29 2yum h GLU 20 N 0.31 -0.41 0.45 1.25 4.39 -1.06 0.67 114.58 120.18 2yum h GLU 20 Ca 0.38 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 60.09 2yum h GLU 20 Cb 0.60 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.34 2yum h GLU 20 CO -0.45 -0.27 -0.24 1.96 -1.16 0.00 0.00 179.01 178.85 2yum h GLN 21 N -0.43 -0.62 -0.62 2.33 4.20 -0.45 -2.93 115.11 116.59 2yum h GLN 21 Ca 0.07 0.04 0.13 0.00 0.06 0.00 0.00 58.65 58.95 2yum h GLN 21 Cb 0.54 0.14 -0.12 0.00 0.30 0.00 0.00 27.48 28.34 2yum h GLN 21 CO -0.29 -0.41 -0.11 -0.07 -0.67 0.00 0.00 178.83 177.28 2yum h LEU 22 N -0.64 -0.49 -0.95 1.46 3.38 -0.78 -0.52 115.31 116.76 2yum h LEU 22 Ca -0.06 0.18 0.18 0.00 0.09 0.00 0.00 57.88 58.27 2yum h LEU 22 Cb 0.51 0.35 -0.18 0.00 0.09 0.00 0.00 40.66 41.44 2yum h LEU 22 CO 0.08 -0.18 -0.27 -0.07 0.09 0.00 0.00 178.44 178.08 2yum h LEU 23 N 0.03 -1.00 -0.12 1.67 3.38 -0.67 0.14 115.31 118.74 2yum h LEU 23 Ca 0.31 0.29 -0.08 0.00 0.09 0.00 0.00 57.88 58.49 2yum h LEU 23 Cb 0.49 0.62 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2yum h LEU 23 CO -0.61 -0.31 -0.22 0.40 0.09 0.00 0.00 178.44 177.79 2yum h ILE 24 N -0.01 1.38 -0.89 1.22 5.03 -1.16 -3.22 117.51 119.87 2yum h ILE 24 Ca 0.43 -1.48 0.24 0.00 -0.12 0.00 0.00 64.86 63.93 2yum h ILE 24 Cb 0.67 2.04 -0.15 0.00 -3.03 0.00 0.00 36.82 36.35 2yum h ILE 24 CO -0.98 0.43 0.18 0.50 -0.68 0.00 0.00 178.15 177.60 2yum h LYS 25 N -0.05 0.14 -5.13 2.37 3.64 0.58 -3.36 116.57 114.76 2yum h LYS 25 Ca 0.01 -0.01 -0.62 0.00 -1.27 0.00 0.00 60.65 58.76 2yum h LYS 25 Cb 0.80 -0.03 -0.14 0.00 -0.41 0.00 0.00 32.23 32.44 2yum h LYS 25 CO 0.05 0.10 -0.44 0.71 -2.27 0.00 0.00 179.45 177.59 2yum s TYR 26 N -5.96 3.32 0.65 1.91 2.02 -0.30 -5.08 117.35 113.90 2yum s TYR 26 Ca -0.12 0.29 -0.15 0.00 -0.37 0.00 0.00 57.07 56.72 2yum s TYR 26 Cb 0.26 -2.33 -0.01 0.00 -0.40 0.00 0.00 41.96 39.48 2yum s TYR 26 CO 0.77 0.03 1.11 -1.25 -1.57 0.00 0.00 175.55 174.64 2yum s PRO 27 N 1.19 2.86 0.65 -1.71 0.04 -1.26 -4.83 135.00 131.94 2yum s PRO 27 Ca 0.10 1.41 -0.15 0.00 0.04 0.00 0.00 61.00 62.40 2yum s PRO 27 Cb -0.14 -1.96 -0.00 0.00 0.04 0.00 0.00 34.50 32.44 2yum s PRO 27 CO 0.06 -1.21 1.11 -1.25 0.04 0.00 0.00 177.00 175.75 2yum s PRO 28 N -4.01 2.84 0.14 0.56 0.04 -1.26 -4.98 135.00 128.33 2yum s PRO 28 Ca 0.68 1.41 -0.13 0.00 0.04 0.00 0.00 61.00 62.99 2yum s PRO 28 Cb -0.21 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.39 2yum s PRO 28 CO 0.40 -1.22 0.35 -1.83 0.04 0.00 0.00 177.00 174.74 2yum s GLU 29 N -4.03 1.10 0.16 4.56 -1.05 -1.26 -5.06 118.70 113.12 2yum s GLU 29 Ca 0.67 -0.90 -0.16 0.00 -0.15 0.00 0.00 54.97 54.43 2yum s GLU 29 Cb -0.21 0.43 0.08 0.00 -0.44 0.00 0.00 34.13 33.99 2yum s GLU 29 CO 0.40 -0.42 1.72 1.49 0.95 0.00 0.00 175.26 179.40 2yum h GLU 30 N 2.45 0.16 -4.94 -4.83 4.81 -2.07 -3.28 114.58 106.89 2yum h GLU 30 Ca -0.32 -0.01 -0.71 0.00 -0.13 0.00 0.00 59.36 58.18 2yum h GLU 30 Cb 1.24 -0.04 -0.17 0.00 0.63 0.00 0.00 28.75 30.41 2yum h GLU 30 CO 0.47 0.11 1.16 0.08 -0.73 0.00 0.00 179.01 180.10 2yum s VAL 31 N -6.17 4.85 0.42 0.32 1.01 -1.26 -4.84 120.40 114.73 2yum s VAL 31 Ca -0.13 -2.11 0.17 0.00 0.00 0.00 0.00 61.98 59.90 2yum s VAL 31 Cb 0.13 -4.87 0.37 0.00 0.00 0.00 0.00 36.38 32.01 2yum s VAL 31 CO 0.71 -1.59 1.89 1.05 0.00 0.00 0.00 175.10 177.16 2yum h GLU 32 N 7.96 0.40 -0.81 2.72 9.09 -2.01 -2.29 114.58 129.62 2yum h GLU 32 Ca 0.25 -0.02 0.13 0.00 0.05 0.00 0.00 59.36 59.76 2yum h GLU 32 Cb 0.94 -0.09 -0.14 0.00 -1.65 0.00 0.00 28.75 27.82 2yum h GLU 32 CO 1.20 0.26 -0.39 1.03 0.05 0.00 0.00 179.01 181.16 2yum h SER 33 N 0.41 -1.40 0.57 3.06 0.87 -1.93 -0.89 113.55 114.24 2yum h SER 33 Ca 0.41 0.28 -0.02 0.00 -1.23 0.00 0.00 61.79 61.23 2yum h SER 33 Cb 0.99 0.70 -0.01 0.00 -0.44 0.00 0.00 62.40 63.65 2yum h SER 33 CO -0.14 -0.30 -0.36 0.03 -0.53 0.00 0.00 176.83 175.54 2yum h ARG 34 N -0.08 -0.85 -0.98 2.24 3.08 -1.84 -1.73 114.38 114.23 2yum h ARG 34 Ca 0.28 0.06 0.26 0.00 0.07 0.00 0.00 59.98 60.64 2yum h ARG 34 Cb 0.57 0.19 -0.18 0.00 0.08 0.00 0.00 29.97 30.63 2yum h ARG 34 CO -0.85 -0.56 0.00 -0.09 -1.07 0.00 0.00 179.97 177.40 2yum h ARG 35 N -0.88 0.01 -0.41 0.04 2.43 -1.26 0.66 114.38 114.98 2yum h ARG 35 Ca -0.07 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.05 2yum h ARG 35 Cb 0.72 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 2yum h ARG 35 CO 0.06 0.01 0.04 -1.49 -1.51 0.00 0.00 179.97 177.08 2yum h TRP 36 N 0.02 0.75 -0.68 2.20 -0.00 -0.91 -2.41 115.95 114.91 2yum h TRP 36 Ca 0.58 -0.12 0.09 0.00 -0.00 0.00 0.00 58.89 59.44 2yum h TRP 36 Cb 1.16 -0.20 -0.07 0.00 -0.00 0.00 0.00 29.16 30.05 2yum h TRP 36 CO -0.52 0.74 0.33 0.37 -0.00 0.00 0.00 178.44 179.36 2yum h GLN 37 N 0.54 0.54 0.47 0.49 5.75 0.12 0.22 115.11 123.24 2yum h GLN 37 Ca 0.12 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.56 2yum h GLN 37 Cb 0.42 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.85 2yum h GLN 37 CO 0.01 0.36 -0.23 0.87 -2.65 0.00 0.00 178.83 177.20 2yum h LYS 38 N 0.56 -0.61 0.01 1.69 1.57 -1.02 -1.60 116.57 117.17 2yum h LYS 38 Ca 0.34 0.04 0.03 0.00 -1.87 0.00 0.00 60.65 59.19 2yum h LYS 38 Cb 0.36 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 2yum h LYS 38 CO -0.27 -0.33 -0.22 0.82 -0.57 0.00 0.00 179.45 178.88 2yum h ILE 39 N -0.81 0.50 -0.43 1.86 2.04 -1.11 -2.57 117.51 116.98 2yum h ILE 39 Ca -0.07 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.88 2yum h ILE 39 Cb 0.56 0.50 -0.08 0.00 -0.74 0.00 0.00 36.82 37.06 2yum h ILE 39 CO 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 178.15 178.14 2yum h ALA 40 N 0.52 0.26 -0.76 1.87 0.00 -0.59 -2.33 119.26 118.22 2yum h ALA 40 Ca 0.06 0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.22 2yum h ALA 40 Cb 0.42 0.35 -0.11 0.00 0.00 0.00 0.00 17.79 18.45 2yum h ALA 40 CO -0.19 -0.46 -0.51 0.22 0.00 0.00 0.00 179.25 178.31 2yum h ASP 41 N -0.02 -1.81 -0.41 0.00 3.58 -0.88 -0.37 116.42 116.51 2yum h ASP 41 Ca 0.21 0.29 0.08 0.00 0.42 0.00 0.00 57.03 58.02 2yum h ASP 41 Cb 0.33 0.81 -0.09 0.00 1.72 0.00 0.00 39.33 42.10 2yum h ASP 41 CO -0.45 -0.30 -0.39 -0.33 -2.88 0.00 0.00 179.24 174.88 2yum h GLU 42 N -0.14 -0.28 -0.76 0.28 4.39 -1.29 -0.34 114.58 116.44 2yum h GLU 42 Ca 0.18 0.02 0.18 0.00 0.34 0.00 0.00 59.36 60.07 2yum h GLU 42 Cb 0.52 0.06 -0.12 0.00 -0.10 0.00 0.00 28.75 29.11 2yum h GLU 42 CO -0.81 -0.19 0.10 -0.07 -1.16 0.00 0.00 179.01 176.89 2yum h LEU 43 N -0.29 -0.16 0.00 1.33 3.38 -0.95 -3.45 115.31 115.17 2yum h LEU 43 Ca 0.16 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.30 2yum h LEU 43 Cb 0.57 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2yum h LEU 43 CO -0.57 -0.12 0.00 0.61 0.09 0.00 0.00 178.44 178.45 2yum n GLY 44 N -1.39 2.04 0.12 0.83 0.00 -0.14 -4.64 105.19 102.01 2yum n GLY 44 Ca 0.15 -0.38 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 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 0.30 -4.03 1.61 4.21 -1.87 -3.48 115.58 112.33 2yum h ASN 45 Ca 0.00 -0.82 -0.45 0.00 1.21 0.00 0.00 56.30 56.25 2yum h ASN 45 Cb 0.00 -0.10 0.15 0.00 -1.12 0.00 0.00 38.32 37.25 2yum h ASN 45 CO 0.00 1.57 0.29 -0.13 -1.29 0.00 0.00 177.43 177.87 2yum s ARG 46 N -2.45 0.49 0.05 0.81 1.81 -1.26 -5.10 118.95 113.31 2yum s ARG 46 Ca -0.21 0.05 -0.04 0.00 -1.72 0.00 0.00 55.73 53.81 2yum s ARG 46 Cb 0.04 -1.79 -0.02 0.00 -0.45 0.00 0.00 34.95 32.74 2yum s ARG 46 CO 0.74 -2.59 0.07 0.95 -0.68 0.00 0.00 175.30 173.78 2yum s THR 47 N -3.36 0.16 0.17 0.02 -4.23 -1.26 -4.63 115.64 102.52 2yum s THR 47 Ca 0.68 -1.34 -0.10 0.00 -1.18 0.00 0.00 61.69 59.74 2yum s THR 47 Cb -0.11 -1.17 0.21 0.00 1.34 0.00 0.00 72.50 72.78 2yum s THR 47 CO 0.54 -0.74 1.09 0.00 -0.54 0.00 0.00 174.62 174.97 2yum n ALA 48 N 0.42 -0.01 -0.00 3.99 0.00 -1.26 -0.32 120.51 123.32 2yum n ALA 48 Ca -0.17 0.72 0.00 0.00 0.00 0.00 0.00 53.44 54.00 2yum n ALA 48 Cb 0.60 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.69 2yum n ALA 48 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2yum n LYS 49 N -5.07 0.00 -0.48 0.00 4.76 -1.26 -0.58 118.16 115.53 2yum n LYS 49 Ca 0.08 0.53 0.41 0.00 -2.87 0.00 0.00 58.31 56.46 2yum n LYS 49 Cb 0.30 -1.50 0.69 0.00 -1.84 0.00 0.00 35.03 32.68 2yum n LYS 49 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 2yum h GLN 50 N 0.00 0.00 -0.14 1.97 1.08 -1.57 1.20 115.11 117.65 2yum h GLN 50 Ca 0.00 -0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.05 2yum h GLN 50 Cb 0.00 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2yum h GLN 50 CO 0.00 0.00 -0.49 0.28 -0.95 0.00 0.00 178.83 177.67 2yum h VAL 51 N 0.00 1.34 -0.20 -0.54 2.07 -0.36 -2.60 116.25 115.96 2yum h VAL 51 Ca 0.89 -1.77 0.03 0.00 0.82 0.00 0.00 66.70 66.68 2yum h VAL 51 Cb 2.88 2.05 -0.03 0.00 -1.52 0.00 0.00 31.29 34.67 2yum h VAL 51 CO -0.46 0.54 0.00 0.00 0.02 0.00 0.00 177.57 177.67 2yum h ALA 52 N 0.53 0.17 0.00 1.67 0.00 0.39 0.36 119.26 122.38 2yum h ALA 52 Ca -0.02 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2yum h ALA 52 Cb 1.12 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2yum h ALA 52 CO 0.10 -0.43 -0.22 0.77 0.00 0.00 0.00 179.25 179.47 2yum h SER 53 N 0.07 0.00 0.11 0.00 0.02 -1.39 -0.38 113.55 111.98 2yum h SER 53 Ca 0.09 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.75 2yum h SER 53 Cb 0.11 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.68 2yum h SER 53 CO -0.16 0.22 -1.19 -0.61 -1.14 0.00 0.00 176.83 173.96 2yum h GLN 54 N 0.00 0.64 -0.11 3.45 5.75 -0.89 -3.17 115.11 120.77 2yum h GLN 54 Ca -0.00 -0.80 -0.05 0.00 -0.15 0.00 0.00 58.65 57.64 2yum h GLN 54 Cb 0.43 0.25 -0.00 0.00 1.07 0.00 0.00 27.48 29.23 2yum h GLN 54 CO 0.03 1.36 -0.14 0.28 -2.65 0.00 0.00 178.83 177.71 2yum h VAL 55 N 0.31 1.37 -0.92 2.39 2.07 -0.02 -3.11 116.25 118.34 2yum h VAL 55 Ca -0.17 -1.34 0.18 0.00 0.82 0.00 0.00 66.70 66.19 2yum h VAL 55 Cb 1.85 1.99 -0.08 0.00 -1.52 0.00 0.00 31.29 33.54 2yum h VAL 55 CO 0.23 0.38 0.59 0.06 0.02 0.00 0.00 177.57 178.85 2yum h GLN 56 N -0.12 0.56 -0.80 1.57 3.07 -1.19 0.53 115.11 118.72 2yum h GLN 56 Ca 0.01 -0.03 -0.05 0.00 0.09 0.00 0.00 58.65 58.67 2yum h GLN 56 Cb 0.68 -0.13 -0.03 0.00 0.08 0.00 0.00 27.48 28.08 2yum h GLN 56 CO 0.03 0.37 0.07 1.63 0.09 0.00 0.00 178.83 181.02 2yum n LYS 57 N -4.58 3.00 -0.00 0.06 5.02 -1.18 -2.37 118.16 118.10 2yum n LYS 57 Ca 0.19 -1.81 -0.00 0.00 -2.02 0.00 0.00 58.31 54.67 2yum n LYS 57 Cb 0.60 -1.90 -0.00 0.00 -0.02 0.00 0.00 35.03 33.70 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 0.22 0.00 -0.10 2.13 4.02 0.18 -4.59 117.16 119.01 2yum n TYR 58 Ca 0.19 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.94 2yum n TYR 58 Cb 0.87 -0.01 -0.11 0.00 -0.02 0.00 0.00 39.34 40.07 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 -2.38 0.00 0.05 -0.72 3.01 -0.88 -4.32 117.46 112.23 2yum n PHE 59 Ca -0.00 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.44 2yum n PHE 59 Cb 0.51 -0.84 0.26 0.00 -0.01 0.00 0.00 39.48 39.40 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 1.25 -0.50 4.37 2.04 -1.68 -2.76 117.51 120.22 2yum h ILE 60 Ca -0.48 -1.15 -0.06 0.00 1.00 0.00 0.00 64.86 64.18 2yum h ILE 60 Cb 1.80 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 39.20 2yum h ILE 60 CO -0.06 0.36 0.08 0.50 0.00 0.00 0.00 178.15 179.03 2yum h LYS 61 N 0.34 0.79 -0.94 2.37 3.64 -1.79 -2.12 116.57 118.86 2yum h LYS 61 Ca 0.06 -0.17 -0.15 0.00 -1.27 0.00 0.00 60.65 59.11 2yum h LYS 61 Cb 0.59 -0.11 -0.09 0.00 -0.41 0.00 0.00 32.23 32.21 2yum h LYS 61 CO 0.04 0.74 0.19 1.47 -2.27 0.00 0.00 179.45 179.62 2yum n LEU 62 N -4.26 4.12 -2.01 5.20 -0.00 -1.04 -4.01 117.00 114.99 2yum n LEU 62 Ca 0.03 -2.13 -0.15 0.00 -0.00 0.00 0.00 56.01 53.76 2yum n LEU 62 Cb 0.25 -0.63 0.05 0.00 -0.00 0.00 0.00 43.42 43.09 2yum n LEU 62 CO 0.40 0.63 0.16 0.41 -0.00 0.00 0.00 177.39 178.99 2yum n THR 63 N -0.05 2.14 -3.65 1.47 -1.04 -0.80 -5.01 114.28 107.34 2yum n THR 63 Ca 0.22 -3.72 -0.00 0.00 -2.04 0.00 0.00 64.05 58.50 2yum n THR 63 Cb 0.90 -0.45 -0.06 0.00 -1.82 0.00 0.00 70.33 68.90 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 -3.47 0.24 -0.13 -2.82 2.36 -1.26 -5.06 119.74 109.60 2yum s LYS 64 Ca 0.44 0.41 -0.20 0.00 -2.55 0.00 0.00 55.97 54.06 2yum s LYS 64 Cb 0.39 0.05 -0.04 0.00 -1.05 0.00 0.00 37.83 37.18 2yum s LYS 64 CO 0.00 -0.05 0.59 0.00 1.55 0.00 0.00 175.35 177.44 2yum s ALA 65 N 1.21 3.45 0.00 3.13 0.00 -1.26 -4.08 121.76 124.22 2yum s ALA 65 Ca -0.09 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.75 2yum s ALA 65 Cb -0.03 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.25 2yum s ALA 65 CO -0.13 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 175.84 2yum n GLY 66 N 3.39 1.47 2.56 0.00 0.00 -1.26 -5.09 105.19 106.26 2yum n GLY 66 Ca -0.04 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 2yum n GLY 66 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2yum n ILE 67 N 0.00 1.17 -1.18 -0.61 5.41 -1.26 -4.89 119.36 118.00 2yum n ILE 67 Ca 0.00 -0.29 -0.29 0.00 1.00 0.00 0.00 62.75 63.17 2yum n ILE 67 Cb 0.00 0.00 0.16 0.00 -0.71 0.00 0.00 39.64 39.09 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 -0.59 0.74 -0.25 0.38 0.04 -1.26 -5.02 135.00 129.04 2yum s PRO 68 Ca 0.52 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 62.07 2yum s PRO 68 Cb -0.75 -1.76 -0.05 0.00 0.04 0.00 0.00 34.50 31.98 2yum s PRO 68 CO 0.42 -2.55 0.24 0.08 0.04 0.00 0.00 177.00 175.24 2yum s VAL 69 N -2.95 5.29 -0.05 -0.36 1.01 -1.26 -5.07 120.40 117.00 2yum s VAL 69 Ca 0.65 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.95 2yum s VAL 69 Cb -0.18 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.64 2yum s VAL 69 CO 0.57 0.26 -0.03 -0.44 0.00 0.00 0.00 175.10 175.47 2yum s SER 70 N 1.41 1.04 0.00 3.32 0.01 -1.26 -5.10 113.70 113.12 2yum s SER 70 Ca 0.10 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.25 2yum s SER 70 Cb -0.15 -0.42 0.00 0.00 0.21 0.00 0.00 66.02 65.66 2yum s SER 70 CO 0.08 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.25 2yum n GLY 71 N 4.31 2.96 3.56 3.44 0.00 -1.26 -4.95 105.19 113.26 2yum n GLY 71 Ca -0.21 -1.83 -0.32 0.00 0.00 0.00 0.00 46.02 43.65 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 -3.58 2.59 0.29 1.61 0.04 -1.26 -4.84 135.00 129.84 2yum s PRO 72 Ca 0.00 0.14 0.01 0.00 0.04 0.00 0.00 61.00 61.19 2yum s PRO 72 Cb 0.00 -4.74 0.70 0.00 0.04 0.00 0.00 34.50 30.50 2yum s PRO 72 CO 0.00 -3.07 1.61 1.03 0.04 0.00 0.00 177.00 176.61 2yum h SER 73 N 13.05 -0.23 -6.49 6.66 0.87 -2.01 -3.44 113.55 121.95 2yum h SER 73 Ca -0.07 0.23 -0.51 0.00 -1.23 0.00 0.00 61.79 60.21 2yum h SER 73 Cb 1.08 0.36 -0.10 0.00 -0.44 0.00 0.00 62.40 63.30 2yum h SER 73 CO 1.21 -0.25 -0.81 -1.20 -0.53 0.00 0.00 176.83 175.26 2yum n SER 74 N -5.35 -3.35 0.00 6.23 7.64 -1.26 -5.27 113.62 112.26 2yum n SER 74 Ca 0.21 -0.91 0.00 0.00 1.01 0.00 0.00 58.87 59.19 2yum n SER 74 Cb 0.70 -3.34 0.00 0.00 -1.01 0.00 0.00 64.21 60.56 2yum n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64