#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uu9 s ARG 3 N 0.00 2.08 0.45 0.54 0.52 -1.26 -5.15 118.95 116.13 2uu9 s ARG 3 Ca 0.00 -0.82 0.04 0.00 -0.52 0.00 0.00 55.73 54.43 2uu9 s ARG 3 Cb 0.00 -1.89 -0.05 0.00 0.52 0.00 0.00 34.95 33.53 2uu9 s ARG 3 CO 0.00 0.42 0.01 0.45 0.02 0.00 0.00 175.30 176.20 2uu9 s SER 4 N -0.34 3.95 0.00 0.23 0.15 -1.26 -4.96 113.70 111.47 2uu9 s SER 4 Ca 0.03 -1.49 0.00 0.00 0.70 0.00 0.00 55.95 55.19 2uu9 s SER 4 Cb -0.11 -0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.20 2uu9 s SER 4 CO 0.01 -0.62 0.00 0.18 1.20 0.00 0.00 173.24 174.01 2uu9 n LEU 5 N -1.09 0.00 0.00 3.45 4.77 -1.26 -5.14 117.00 117.74 2uu9 n LEU 5 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2uu9 n LEU 5 Cb 0.67 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 2uu9 n LEU 5 CO 0.44 0.00 0.00 1.17 -1.33 0.00 0.00 177.39 177.67 2uu9 n LYS 6 N 0.00 0.00 -3.20 3.23 4.81 -1.26 -4.89 118.16 116.85 2uu9 n LYS 6 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2uu9 n LYS 6 Cb 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 2uu9 n LYS 6 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 2uu9 s LYS 7 N 0.00 0.52 0.00 1.64 -2.85 -1.26 -4.98 119.74 112.81 2uu9 s LYS 7 Ca 0.00 0.57 0.00 0.00 -1.00 0.00 0.00 55.97 55.54 2uu9 s LYS 7 Cb 0.00 0.15 0.00 0.00 -2.06 0.00 0.00 37.83 35.92 2uu9 s LYS 7 CO 0.00 -0.91 0.00 0.41 0.10 0.00 0.00 175.35 174.95 2uu9 n GLY 8 N 5.40 0.31 3.35 0.59 0.00 -1.26 -5.05 105.19 108.54 2uu9 n GLY 8 Ca 0.02 -0.69 -0.56 0.00 0.00 0.00 0.00 46.02 44.79 2uu9 n GLY 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2uu9 n VAL 9 N 0.00 0.09 -2.31 1.61 0.31 -1.26 -4.86 118.33 111.91 2uu9 n VAL 9 Ca 0.00 -0.11 -0.42 0.00 -0.01 0.00 0.00 64.34 63.79 2uu9 n VAL 9 Cb 0.00 -1.01 -0.03 0.00 -0.91 0.00 0.00 33.84 31.89 2uu9 n VAL 9 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2uu9 s PHE 10 N 6.45 3.02 -0.11 3.52 0.08 -1.26 -4.96 117.98 124.71 2uu9 s PHE 10 Ca 1.15 0.98 -0.05 0.00 0.12 0.00 0.00 56.93 59.13 2uu9 s PHE 10 Cb -1.21 -3.57 0.05 0.00 -0.57 0.00 0.00 43.02 37.72 2uu9 s PHE 10 CO 0.59 -2.01 0.25 0.08 -0.10 0.00 0.00 175.22 174.02 2uu9 s VAL 11 N 2.18 -0.14 0.47 -0.44 1.01 -1.26 -2.23 120.40 119.98 2uu9 s VAL 11 Ca 0.61 0.19 -0.24 0.00 0.00 0.00 0.00 61.98 62.54 2uu9 s VAL 11 Cb -0.29 -0.39 -0.07 0.00 0.00 0.00 0.00 36.38 35.62 2uu9 s VAL 11 CO 0.25 0.08 1.27 -1.81 0.00 0.00 0.00 175.10 174.89 2uu9 s ASP 12 N 1.59 5.93 0.20 3.32 -0.00 -1.26 -4.94 116.67 121.51 2uu9 s ASP 12 Ca -0.06 2.56 0.25 0.00 -0.00 0.00 0.00 52.55 55.30 2uu9 s ASP 12 Cb -0.11 -2.62 0.56 0.00 -0.00 0.00 0.00 42.92 40.75 2uu9 s ASP 12 CO -0.08 -1.10 1.56 -2.24 -0.00 0.00 0.00 175.17 173.31 2uu9 h ASP 13 N 2.07 0.00 -0.79 0.27 -0.00 -2.01 -2.93 116.42 113.03 2uu9 h ASP 13 Ca -0.50 -0.08 0.17 0.00 -0.00 0.00 0.00 57.03 56.63 2uu9 h ASP 13 Cb 1.26 0.00 -0.14 0.00 -0.00 0.00 0.00 39.33 40.45 2uu9 h ASP 13 CO 0.60 0.04 -0.09 0.45 -0.00 0.00 0.00 179.24 180.24 2uu9 h HIS 14 N 0.00 -0.22 0.00 4.15 3.86 -2.01 -2.67 115.15 118.26 2uu9 h HIS 14 Ca 0.00 0.06 -0.34 0.00 -1.16 0.00 0.00 60.37 58.93 2uu9 h HIS 14 Cb 0.78 0.22 -0.06 0.00 1.06 0.00 0.00 27.41 29.41 2uu9 h HIS 14 CO 0.00 -0.30 -2.29 1.47 0.86 0.00 0.00 177.93 177.66 2uu9 n LEU 15 N -5.44 0.80 -0.40 2.43 -0.00 -1.26 -3.54 117.00 109.59 2uu9 n LEU 15 Ca 0.13 -0.03 0.38 0.00 -0.00 0.00 0.00 56.01 56.49 2uu9 n LEU 15 Cb 0.47 0.11 0.75 0.00 -0.00 0.00 0.00 43.42 44.75 2uu9 n LEU 15 CO 0.00 0.58 1.35 0.25 -0.00 0.00 0.00 177.39 179.57 2uu9 h LEU 16 N 0.00 0.03 0.07 1.47 5.85 -1.30 3.70 115.31 125.12 2uu9 h LEU 16 Ca -0.51 0.01 -0.35 0.00 0.84 0.00 0.00 57.88 57.87 2uu9 h LEU 16 Cb 2.06 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 43.06 2uu9 h LEU 16 CO -0.00 -0.00 -1.98 -1.84 -0.34 0.00 0.00 178.44 174.28 2uu9 n GLU 17 N -4.17 0.69 0.00 1.25 0.28 -1.03 -3.32 120.64 114.34 2uu9 n GLU 17 Ca 0.30 0.31 0.05 0.00 -0.16 0.00 0.00 57.16 57.65 2uu9 n GLU 17 Cb 1.39 -1.67 0.21 0.00 1.43 0.00 0.00 31.44 32.81 2uu9 n GLU 17 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2uu9 n LYS 18 N -3.70 0.03 -0.11 3.44 4.81 0.21 -0.46 118.16 122.38 2uu9 n LYS 18 Ca -0.36 0.31 -0.21 0.00 -0.87 0.00 0.00 58.31 57.17 2uu9 n LYS 18 Cb 0.95 -1.50 -0.10 0.00 0.02 0.00 0.00 35.03 34.40 2uu9 n LYS 18 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 2uu9 n VAL 19 N -1.46 1.52 -0.13 3.15 3.14 1.17 -3.98 118.33 121.74 2uu9 n VAL 19 Ca 0.03 -0.08 -0.13 0.00 -2.96 0.00 0.00 64.34 61.20 2uu9 n VAL 19 Cb 0.11 -2.05 -0.02 0.00 -1.06 0.00 0.00 33.84 30.81 2uu9 n VAL 19 CO 0.00 0.00 0.00 0.17 -6.46 0.00 0.00 176.83 170.54 2uu9 h LEU 20 N -1.00 0.99 -2.04 6.55 8.10 -1.50 -2.62 115.31 123.80 2uu9 h LEU 20 Ca -0.38 -0.45 0.12 0.00 0.11 0.00 0.00 57.88 57.28 2uu9 h LEU 20 Cb 1.28 -0.28 -0.02 0.00 -0.44 0.00 0.00 40.66 41.20 2uu9 h LEU 20 CO -0.23 1.23 0.34 -0.33 -4.11 0.00 0.00 178.44 175.34 2uu9 h GLU 21 N 0.77 0.00 -0.01 0.17 5.08 -0.98 0.91 114.58 120.52 2uu9 h GLU 21 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2uu9 h GLU 21 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2uu9 h GLU 21 CO 0.09 0.00 -0.08 1.28 -1.00 0.00 0.00 179.01 179.30 2uu9 n LEU 22 N -4.20 0.59 0.01 1.33 4.77 -0.99 -3.51 117.00 115.01 2uu9 n LEU 22 Ca 0.07 -0.09 -0.21 0.00 -0.03 0.00 0.00 56.01 55.75 2uu9 n LEU 22 Cb 0.53 -0.12 -0.14 0.00 -2.33 0.00 0.00 43.42 41.36 2uu9 n LEU 22 CO 0.34 0.11 -0.26 0.78 -1.33 0.00 0.00 177.39 177.02 2uu9 h ASN 23 N 0.80 0.38 -0.57 -1.43 2.35 0.92 -3.26 115.58 114.77 2uu9 h ASN 23 Ca 0.00 -0.87 0.11 0.00 -0.55 0.00 0.00 56.30 54.99 2uu9 h ASN 23 Cb 0.33 -0.12 -0.09 0.00 0.05 0.00 0.00 38.32 38.49 2uu9 h ASN 23 CO 0.00 1.53 0.05 0.00 -1.65 0.00 0.00 177.43 177.36 2uu9 h ALA 24 N -0.02 0.60 -3.00 -0.83 0.00 -1.55 -3.39 119.26 111.07 2uu9 h ALA 24 Ca -0.25 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2uu9 h ALA 24 Cb 1.69 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.72 2uu9 h ALA 24 CO 0.08 -0.36 0.00 1.63 0.00 0.00 0.00 179.25 180.60 2uu9 n LYS 25 N -5.20 0.00 0.00 0.00 5.02 -1.25 -5.10 118.16 111.64 2uu9 n LYS 25 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 2uu9 n LYS 25 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.32 2uu9 n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2uu9 n GLY 26 N 4.11 0.87 2.82 0.72 0.00 -1.23 -5.06 105.19 107.41 2uu9 n GLY 26 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2uu9 n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2uu9 s GLU 27 N 2.31 0.76 -1.05 1.61 0.41 -1.26 -4.38 118.70 117.11 2uu9 s GLU 27 Ca 0.00 -0.89 -0.27 0.00 -0.41 0.00 0.00 54.97 53.40 2uu9 s GLU 27 Cb 0.00 -0.53 -0.21 0.00 -1.78 0.00 0.00 34.13 31.60 2uu9 s GLU 27 CO 0.00 -1.23 2.15 0.21 -0.49 0.00 0.00 175.26 175.90 2uu9 s LYS 28 N 1.30 1.24 0.00 1.61 2.20 -1.26 -4.85 119.74 119.98 2uu9 s LYS 28 Ca 0.20 -0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.47 2uu9 s LYS 28 Cb -0.09 -4.96 0.00 0.00 -1.51 0.00 0.00 37.83 31.27 2uu9 s LYS 28 CO -0.05 -5.37 0.00 -2.13 -0.36 0.00 0.00 175.35 167.44 2uu9 n ARG 29 N 8.25 0.00 -2.62 4.03 0.63 -1.26 -4.39 116.66 121.30 2uu9 n ARG 29 Ca 0.42 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 57.05 2uu9 n ARG 29 Cb 0.46 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.35 2uu9 n ARG 29 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2uu9 s LEU 30 N -0.30 3.69 -0.31 6.15 1.43 -1.26 -3.68 118.68 124.40 2uu9 s LEU 30 Ca 0.00 1.23 -0.01 0.00 -1.03 0.00 0.00 54.13 54.32 2uu9 s LEU 30 Cb 0.00 -4.15 0.13 0.00 0.03 0.00 0.00 46.19 42.20 2uu9 s LEU 30 CO 0.00 -0.52 0.26 -0.63 0.23 0.00 0.00 176.35 175.69 2uu9 s ILE 31 N -2.57 -0.25 -0.33 -0.59 -1.09 -1.10 -4.96 121.20 110.32 2uu9 s ILE 31 Ca 0.53 -0.77 -0.28 0.00 -2.23 0.00 0.00 60.65 57.89 2uu9 s ILE 31 Cb -0.10 -0.95 -0.02 0.00 -1.58 0.00 0.00 42.46 39.81 2uu9 s ILE 31 CO 0.36 -0.61 1.82 -0.54 -1.23 0.00 0.00 174.94 174.73 2uu9 s LYS 32 N 2.00 3.32 0.14 2.79 -0.14 -1.26 -0.06 119.74 126.53 2uu9 s LYS 32 Ca 0.11 1.45 0.06 0.00 -1.36 0.00 0.00 55.97 56.23 2uu9 s LYS 32 Cb -0.16 -4.21 -0.04 0.00 -1.68 0.00 0.00 37.83 31.74 2uu9 s LYS 32 CO -0.26 -1.88 -0.12 0.99 -0.76 0.00 0.00 175.35 173.32 2uu9 s THR 33 N 6.98 1.32 0.00 2.17 2.01 -0.45 -4.96 115.64 122.70 2uu9 s THR 33 Ca 0.81 -1.92 0.00 0.00 0.31 0.00 0.00 61.69 60.88 2uu9 s THR 33 Cb -0.23 -1.72 0.00 0.00 0.01 0.00 0.00 72.50 70.56 2uu9 s THR 33 CO 0.34 -0.58 0.15 0.79 -0.69 0.00 0.00 174.62 174.63 2uu9 n TRP 34 N 0.12 0.00 -2.77 4.92 8.01 -1.26 -3.17 117.44 123.28 2uu9 n TRP 34 Ca -0.12 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.64 2uu9 n TRP 34 Cb 0.59 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.86 2uu9 n TRP 34 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 2uu9 s SER 35 N -0.66 6.51 -0.06 -0.99 0.15 -1.26 -4.80 113.70 112.58 2uu9 s SER 35 Ca 0.00 -1.63 -0.25 0.00 0.70 0.00 0.00 55.95 54.77 2uu9 s SER 35 Cb 0.00 -2.47 -0.20 0.00 -1.71 0.00 0.00 66.02 61.64 2uu9 s SER 35 CO 0.00 -1.30 0.98 0.03 1.20 0.00 0.00 173.24 174.15 2uu9 h ARG 36 N 9.31 -0.07 -0.59 5.44 3.08 -1.93 -3.23 114.38 126.39 2uu9 h ARG 36 Ca 0.10 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.32 2uu9 h ARG 36 Cb 1.03 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 2uu9 h ARG 36 CO 1.23 0.52 0.92 0.07 -1.07 0.00 0.00 179.97 181.64 2uu9 h ARG 37 N -0.76 0.00 -6.36 0.04 0.11 -1.97 -2.77 114.38 102.67 2uu9 h ARG 37 Ca -0.01 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.54 2uu9 h ARG 37 Cb 0.62 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.72 2uu9 h ARG 37 CO 0.01 0.00 1.14 -1.54 0.10 0.00 0.00 179.97 179.69 2uu9 s SER 38 N -3.86 6.53 0.07 0.08 1.04 -1.22 -4.83 113.70 111.51 2uu9 s SER 38 Ca -0.03 2.54 -0.31 0.00 0.48 0.00 0.00 55.95 58.63 2uu9 s SER 38 Cb 0.11 -2.54 -0.07 0.00 0.10 0.00 0.00 66.02 63.62 2uu9 s SER 38 CO 0.37 -0.99 1.34 -0.89 0.98 0.00 0.00 173.24 174.06 2uu9 s THR 39 N 3.86 3.59 0.04 2.02 2.01 -0.95 -2.95 115.64 123.26 2uu9 s THR 39 Ca 0.81 1.11 -0.30 0.00 0.31 0.00 0.00 61.69 63.62 2uu9 s THR 39 Cb -0.40 -3.71 -0.07 0.00 0.01 0.00 0.00 72.50 68.33 2uu9 s THR 39 CO 0.36 0.07 1.48 -0.63 -0.69 0.00 0.00 174.62 175.21 2uu9 s ILE 40 N 1.39 3.42 0.23 1.82 1.01 -0.93 -4.83 121.20 123.31 2uu9 s ILE 40 Ca 0.63 0.87 0.11 0.00 0.00 0.00 0.00 60.65 62.26 2uu9 s ILE 40 Cb -0.34 -3.56 -0.05 0.00 0.01 0.00 0.00 42.46 38.53 2uu9 s ILE 40 CO 0.29 0.01 -0.19 0.68 0.00 0.00 0.00 174.94 175.73 2uu9 s VAL 41 N 2.30 2.59 0.21 2.92 -7.23 -1.26 -4.02 120.40 115.91 2uu9 s VAL 41 Ca 0.67 -2.11 -0.06 0.00 -1.81 0.00 0.00 61.98 58.67 2uu9 s VAL 41 Cb -0.35 -2.30 0.34 0.00 0.56 0.00 0.00 36.38 34.63 2uu9 s VAL 41 CO 0.29 -0.24 1.17 -2.65 -0.31 0.00 0.00 175.10 173.36 2uu9 n PRO 42 N -0.18 -0.07 0.00 4.82 -0.02 -1.26 -1.36 135.00 136.93 2uu9 n PRO 42 Ca -0.09 1.17 0.00 0.00 -2.02 0.00 0.00 63.50 62.56 2uu9 n PRO 42 Cb 0.58 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 2uu9 n PRO 42 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2uu9 n GLU 43 N -5.21 0.01 0.00 -0.52 0.00 -1.26 -0.99 120.64 112.66 2uu9 n GLU 43 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.28 2uu9 n GLU 43 Cb 0.38 -1.00 0.00 0.00 0.00 0.00 0.00 31.44 30.82 2uu9 n GLU 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2uu9 n MET 44 N 0.17 1.17 -1.55 3.44 2.81 -0.47 -4.79 117.12 117.91 2uu9 n MET 44 Ca 0.00 0.00 -0.44 0.00 -1.81 0.00 0.00 57.70 55.45 2uu9 n MET 44 Cb 0.00 -0.90 -0.01 0.00 -0.71 0.00 0.00 33.22 31.60 2uu9 n MET 44 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2uu9 n VAL 45 N -1.28 2.01 -0.63 2.03 0.31 -0.16 -0.50 118.33 120.11 2uu9 n VAL 45 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 2uu9 n VAL 45 Cb 0.00 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.12 2uu9 n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2uu9 n GLY 46 N 1.40 1.44 3.71 2.92 0.00 -1.05 -5.02 105.19 108.59 2uu9 n GLY 46 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 2uu9 n GLY 46 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2uu9 n HIS 47 N -2.00 -2.81 -3.40 1.61 -0.00 0.35 -4.95 115.22 104.01 2uu9 n HIS 47 Ca 0.00 -1.76 -0.23 0.00 -0.00 0.00 0.00 57.72 55.72 2uu9 n HIS 47 Cb 0.00 -0.66 -0.10 0.00 -0.00 0.00 0.00 29.99 29.24 2uu9 n HIS 47 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 2uu9 s THR 48 N -2.82 -0.07 -0.08 1.59 2.01 -1.24 -2.44 115.64 112.57 2uu9 s THR 48 Ca 0.62 -1.43 -0.20 0.00 0.31 0.00 0.00 61.69 60.99 2uu9 s THR 48 Cb -0.04 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 2uu9 s THR 48 CO 0.41 -0.81 0.56 -0.63 -0.69 0.00 0.00 174.62 173.46 2uu9 s ILE 49 N 1.17 5.10 -0.48 1.82 1.01 -1.25 -2.72 121.20 125.85 2uu9 s ILE 49 Ca 0.18 1.14 -0.21 0.00 0.00 0.00 0.00 60.65 61.77 2uu9 s ILE 49 Cb -0.18 -3.90 0.04 0.00 0.01 0.00 0.00 42.46 38.43 2uu9 s ILE 49 CO -0.01 0.32 0.73 0.00 0.00 0.00 0.00 174.94 175.97 2uu9 s ALA 50 N 0.54 3.31 -0.08 9.38 0.00 0.91 -1.81 121.76 134.01 2uu9 s ALA 50 Ca 0.30 -1.33 -0.14 0.00 0.00 0.00 0.00 51.96 50.80 2uu9 s ALA 50 Cb -0.16 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 2uu9 s ALA 50 CO 0.14 -2.00 0.34 0.08 0.00 0.00 0.00 175.76 174.31 2uu9 s VAL 51 N 3.09 5.20 0.19 0.00 1.01 0.15 -1.34 120.40 128.70 2uu9 s VAL 51 Ca 0.23 0.66 -0.27 0.00 0.00 0.00 0.00 61.98 62.61 2uu9 s VAL 51 Cb -0.15 -3.65 -0.08 0.00 0.00 0.00 0.00 36.38 32.50 2uu9 s VAL 51 CO 0.18 0.51 0.83 -0.47 0.00 0.00 0.00 175.10 176.15 2uu9 s TYR 52 N -0.47 3.93 -1.44 5.22 5.04 -1.19 0.17 117.35 128.61 2uu9 s TYR 52 Ca 0.20 1.73 0.14 0.00 -2.44 0.00 0.00 57.07 56.71 2uu9 s TYR 52 Cb -0.15 -2.84 0.03 0.00 0.35 0.00 0.00 41.96 39.36 2uu9 s TYR 52 CO 0.09 0.49 0.83 0.27 -1.34 0.00 0.00 175.55 175.89 2uu9 n ASN 53 N 1.53 1.70 0.00 4.32 0.23 0.26 -4.91 115.26 118.39 2uu9 n ASN 53 Ca -0.04 -1.35 0.00 0.00 -0.53 0.00 0.00 54.58 52.66 2uu9 n ASN 53 Cb 0.48 0.32 0.00 0.00 -2.08 0.00 0.00 39.78 38.50 2uu9 n ASN 53 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2uu9 n GLY 54 N 0.98 1.85 0.00 4.83 0.00 -1.26 -4.62 105.19 106.97 2uu9 n GLY 54 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2uu9 n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2uu9 n LYS 55 N 0.00 1.62 -3.97 1.61 4.81 -1.26 -5.12 118.16 115.85 2uu9 n LYS 55 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 2uu9 n LYS 55 Cb 0.00 -0.66 -0.07 0.00 0.02 0.00 0.00 35.03 34.32 2uu9 n LYS 55 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2uu9 s GLN 56 N -1.23 1.18 -0.48 1.64 -0.21 -1.26 -5.12 119.66 114.18 2uu9 s GLN 56 Ca 0.00 -1.20 -0.12 0.00 0.02 0.00 0.00 55.36 54.06 2uu9 s GLN 56 Cb 0.00 0.38 0.11 0.00 1.00 0.00 0.00 33.01 34.50 2uu9 s GLN 56 CO 0.00 -0.44 0.38 -1.01 -2.12 0.00 0.00 175.29 172.10 2uu9 s HIS 57 N -3.98 3.34 -0.02 0.91 3.76 -1.26 -0.58 115.29 117.47 2uu9 s HIS 57 Ca 0.19 -1.54 -0.19 0.00 -0.15 0.00 0.00 55.06 53.37 2uu9 s HIS 57 Cb 0.03 -3.46 -0.05 0.00 1.11 0.00 0.00 32.58 30.21 2uu9 s HIS 57 CO 0.01 -0.95 0.53 0.14 -0.85 0.00 0.00 174.74 173.62 2uu9 s VAL 58 N 1.47 4.97 0.65 -0.90 -7.23 0.46 -4.69 120.40 115.13 2uu9 s VAL 58 Ca 0.04 1.10 -0.16 0.00 -1.81 0.00 0.00 61.98 61.15 2uu9 s VAL 58 Cb -0.27 -3.86 -0.00 0.00 0.56 0.00 0.00 36.38 32.81 2uu9 s VAL 58 CO 0.02 0.45 1.17 -2.16 -0.31 0.00 0.00 175.10 174.27 2uu9 s PRO 59 N -0.31 2.67 -0.47 4.82 0.04 -1.26 0.32 135.00 140.81 2uu9 s PRO 59 Ca 0.28 1.66 0.06 0.00 0.04 0.00 0.00 61.00 63.04 2uu9 s PRO 59 Cb -0.17 -1.91 0.18 0.00 0.04 0.00 0.00 34.50 32.64 2uu9 s PRO 59 CO 0.15 -1.40 0.58 0.08 0.04 0.00 0.00 177.00 176.45 2uu9 s VAL 60 N -1.95 -0.54 -0.13 -0.36 1.01 -0.75 -4.82 120.40 112.86 2uu9 s VAL 60 Ca 0.73 -1.45 -0.34 0.00 0.00 0.00 0.00 61.98 60.92 2uu9 s VAL 60 Cb -0.27 -0.44 -0.11 0.00 0.00 0.00 0.00 36.38 35.57 2uu9 s VAL 60 CO 0.39 -0.43 1.95 0.00 0.00 0.00 0.00 175.10 177.01 2uu9 n TYR 61 N 3.10 2.23 -2.80 5.22 9.36 -1.26 -3.84 117.16 129.17 2uu9 n TYR 61 Ca 0.21 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 61.00 2uu9 n TYR 61 Cb 0.53 -2.66 -0.03 0.00 -0.63 0.00 0.00 39.34 36.54 2uu9 n TYR 61 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 2uu9 s ILE 62 N 4.84 4.70 0.43 2.97 2.07 -1.02 -5.03 121.20 130.16 2uu9 s ILE 62 Ca 0.95 1.55 0.08 0.00 -1.41 0.00 0.00 60.65 61.82 2uu9 s ILE 62 Cb -0.67 -4.25 0.01 0.00 0.13 0.00 0.00 42.46 37.68 2uu9 s ILE 62 CO 0.50 -0.28 0.57 0.42 -1.91 0.00 0.00 174.94 174.24 2uu9 s THR 63 N 3.19 2.92 0.10 4.00 -4.23 -1.26 -2.52 115.64 117.84 2uu9 s THR 63 Ca 0.39 -1.03 -0.32 0.00 -1.18 0.00 0.00 61.69 59.54 2uu9 s THR 63 Cb -0.14 -2.95 -0.13 0.00 1.34 0.00 0.00 72.50 70.62 2uu9 s THR 63 CO 0.11 0.00 1.52 -0.08 -0.54 0.00 0.00 174.62 175.64 2uu9 h GLU 64 N 0.64 -0.61 0.00 3.99 4.57 -1.99 -1.90 114.58 119.27 2uu9 h GLU 64 Ca -0.39 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.83 2uu9 h GLU 64 Cb 1.28 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 30.01 2uu9 h GLU 64 CO 0.46 -0.41 0.03 0.27 -1.18 0.00 0.00 179.01 178.17 2uu9 n ASN 65 N -5.29 0.25 0.18 1.04 0.23 -1.26 -1.91 115.26 108.51 2uu9 n ASN 65 Ca -0.07 0.60 0.06 0.00 -0.53 0.00 0.00 54.58 54.65 2uu9 n ASN 65 Cb 0.38 -0.63 0.22 0.00 -2.08 0.00 0.00 39.78 37.67 2uu9 n ASN 65 CO 0.00 0.00 0.00 0.24 -0.93 0.00 0.00 177.26 176.57 2uu9 h MET 66 N 0.00 0.00 0.00 -3.83 2.86 -1.74 -3.42 114.93 108.80 2uu9 h MET 66 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2uu9 h MET 66 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 2uu9 h MET 66 CO 0.00 0.34 0.00 0.28 1.06 0.00 0.00 176.91 178.59 2uu9 n VAL 67 N -3.30 0.00 -0.38 -2.22 0.31 -0.80 -1.73 118.33 110.21 2uu9 n VAL 67 Ca 0.01 0.00 0.32 0.00 -0.01 0.00 0.00 64.34 64.66 2uu9 n VAL 67 Cb 0.59 0.00 0.63 0.00 -0.91 0.00 0.00 33.84 34.15 2uu9 n VAL 67 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2uu9 h GLY 68 N 0.00 0.83 -1.74 2.92 0.00 -1.82 -3.30 103.07 99.96 2uu9 h GLY 68 Ca 0.00 -0.11 -0.52 0.00 0.00 0.00 0.00 47.33 46.70 2uu9 h GLY 68 CO 0.00 -0.16 0.38 0.30 0.00 0.00 0.00 176.54 177.06 2uu9 s HIS 69 N -5.25 2.37 0.58 5.60 3.76 -0.70 -4.53 115.29 117.12 2uu9 s HIS 69 Ca -0.07 1.57 -0.14 0.00 -0.15 0.00 0.00 55.06 56.27 2uu9 s HIS 69 Cb 0.26 -3.30 -0.05 0.00 1.11 0.00 0.00 32.58 30.60 2uu9 s HIS 69 CO 0.81 -2.08 1.02 0.15 -0.85 0.00 0.00 174.74 173.79 2uu9 s LYS 70 N -3.98 3.64 0.29 1.40 3.01 -1.26 -2.18 119.74 120.65 2uu9 s LYS 70 Ca 0.70 0.91 -0.01 0.00 -1.01 0.00 0.00 55.97 56.56 2uu9 s LYS 70 Cb -0.24 -2.09 0.42 0.00 -1.01 0.00 0.00 37.83 34.91 2uu9 s LYS 70 CO 0.42 -0.53 1.87 -0.07 0.51 0.00 0.00 175.35 177.55 2uu9 h LEU 71 N 0.25 0.83 -2.35 3.17 3.38 -1.37 -2.55 115.31 116.66 2uu9 h LEU 71 Ca -0.45 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.44 2uu9 h LEU 71 Cb 1.19 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 2uu9 h LEU 71 CO 0.61 0.74 0.16 1.23 0.09 0.00 0.00 178.44 181.26 2uu9 h GLY 72 N 1.00 0.00 2.00 0.83 0.00 -1.87 0.40 103.07 105.42 2uu9 h GLY 72 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2uu9 h GLY 72 CO -0.02 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.70 2uu9 n GLU 73 N -3.62 0.07 0.00 4.80 1.02 -0.96 -2.78 120.64 119.18 2uu9 n GLU 73 Ca -0.00 0.41 0.04 0.00 -0.02 0.00 0.00 57.16 57.59 2uu9 n GLU 73 Cb 0.26 -1.66 -0.01 0.00 -0.02 0.00 0.00 31.44 30.00 2uu9 n GLU 73 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2uu9 n PHE 74 N -1.80 0.00 -3.77 -0.32 3.01 0.13 -4.75 117.46 109.96 2uu9 n PHE 74 Ca 0.02 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.19 2uu9 n PHE 74 Cb 0.13 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.48 2uu9 n PHE 74 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2uu9 s ALA 75 N -1.36 3.06 0.42 4.37 0.00 -1.12 -5.00 121.76 122.13 2uu9 s ALA 75 Ca 0.06 -3.35 -0.25 0.00 0.00 0.00 0.00 51.96 48.43 2uu9 s ALA 75 Cb 0.07 -2.01 -0.10 0.00 0.00 0.00 0.00 23.12 21.08 2uu9 s ALA 75 CO 0.25 -2.06 1.15 -0.35 0.00 0.00 0.00 175.76 174.74 2uu9 n PRO 76 N 2.43 1.64 0.03 0.00 -0.04 -1.26 -4.73 135.00 133.08 2uu9 n PRO 76 Ca 0.19 0.59 -0.05 0.00 -0.04 0.00 0.00 63.50 64.19 2uu9 n PRO 76 Cb 0.37 -2.22 -0.10 0.00 -0.04 0.00 0.00 33.50 31.51 2uu9 n PRO 76 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2uu9 h THR 77 N 1.81 1.02 -1.22 0.52 1.35 -1.89 -3.46 112.91 111.05 2uu9 h THR 77 Ca -0.46 -2.70 -0.48 0.00 -0.55 0.00 0.00 66.41 62.22 2uu9 h THR 77 Cb 1.32 2.46 -0.01 0.00 -1.73 0.00 0.00 68.15 70.19 2uu9 h THR 77 CO 0.58 0.58 -0.28 -0.13 -0.25 0.00 0.00 175.52 176.03 2uu9 s ARG 78 N -2.74 2.53 -0.11 4.72 0.52 -1.26 -4.92 118.95 117.69 2uu9 s ARG 78 Ca -0.02 -1.54 0.00 0.00 -0.52 0.00 0.00 55.73 53.66 2uu9 s ARG 78 Cb 0.09 -2.50 0.02 0.00 0.52 0.00 0.00 34.95 33.07 2uu9 s ARG 78 CO 0.81 -0.41 -0.10 0.99 0.02 0.00 0.00 175.30 176.61 2uu9 s THR 79 N -2.52 1.19 0.20 0.02 2.01 -1.26 -5.15 115.64 110.12 2uu9 s THR 79 Ca 0.51 -0.41 0.11 0.00 0.31 0.00 0.00 61.69 62.22 2uu9 s THR 79 Cb -0.06 -1.16 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 2uu9 s THR 79 CO 0.31 0.39 -0.24 -0.47 -0.69 0.00 0.00 174.62 173.92 2uu9 s TYR 80 N 1.48 2.29 0.00 4.92 5.04 -1.26 -4.99 117.35 124.82 2uu9 s TYR 80 Ca 0.02 -0.36 0.00 0.00 -2.44 0.00 0.00 57.07 54.29 2uu9 s TYR 80 Cb -0.13 -1.12 0.00 0.00 0.35 0.00 0.00 41.96 41.05 2uu9 s TYR 80 CO -0.07 0.51 0.12 -2.13 -1.34 0.00 0.00 175.55 172.64 2uu9 n ARG 81 N 0.22 0.00 0.00 4.97 0.63 -1.26 -5.34 116.66 115.88 2uu9 n ARG 81 Ca -0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.81 2uu9 n ARG 81 Cb 0.56 -0.34 0.00 0.00 0.45 0.00 0.00 32.46 33.13 2uu9 n ARG 81 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53