#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uu9 n ARG 12 N 0.00 0.00 -1.91 -1.58 0.00 -1.26 -5.14 116.66 106.77 2uu9 n ARG 12 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2uu9 n ARG 12 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2uu9 n ARG 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2uu9 n GLN 13 N -0.01 -4.09 0.06 -0.14 1.13 -1.23 -5.05 117.38 108.04 2uu9 n GLN 13 Ca 0.00 2.90 0.00 0.00 -1.94 0.00 0.00 57.00 57.96 2uu9 n GLN 13 Cb 0.00 -3.30 0.00 0.00 0.11 0.00 0.00 30.24 27.05 2uu9 n GLN 13 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2uu9 n VAL 14 N 1.44 0.13 -3.69 5.09 0.31 -0.82 -5.04 118.33 115.75 2uu9 n VAL 14 Ca 0.00 0.04 -0.27 0.00 -0.01 0.00 0.00 64.34 64.10 2uu9 n VAL 14 Cb 0.00 -0.74 0.04 0.00 -0.91 0.00 0.00 33.84 32.23 2uu9 n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2uu9 n ALA 15 N -3.02 -1.24 0.00 3.52 0.00 -1.23 -4.87 120.51 113.68 2uu9 n ALA 15 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2uu9 n ALA 15 Cb 0.06 -4.61 0.00 0.00 0.00 0.00 0.00 19.45 14.90 2uu9 n ALA 15 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2uu9 n SER 16 N -2.81 0.00 0.00 0.00 3.41 -1.19 -3.86 113.62 109.18 2uu9 n SER 16 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 2uu9 n SER 16 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 2uu9 n SER 16 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2uu9 n GLY 17 N 0.00 1.65 3.76 5.00 0.00 -0.95 -3.61 105.19 111.03 2uu9 n GLY 17 Ca 0.00 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 2uu9 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2uu9 s ARG 18 N 1.20 3.02 -0.37 1.61 3.00 -0.65 -0.42 118.95 126.33 2uu9 s ARG 18 Ca 0.00 -0.48 0.03 0.00 0.00 0.00 0.00 55.73 55.28 2uu9 s ARG 18 Cb 0.00 -2.83 0.11 0.00 0.00 0.00 0.00 34.95 32.22 2uu9 s ARG 18 CO 0.00 0.66 0.11 0.00 0.00 0.00 0.00 175.30 176.07 2uu9 s ALA 19 N -1.13 2.60 -0.17 2.13 0.00 0.51 0.62 121.76 126.32 2uu9 s ALA 19 Ca 0.21 -2.47 -0.20 0.00 0.00 0.00 0.00 51.96 49.50 2uu9 s ALA 19 Cb -0.12 -1.92 -0.03 0.00 0.00 0.00 0.00 23.12 21.05 2uu9 s ALA 19 CO 0.11 -1.77 0.57 0.71 0.00 0.00 0.00 175.76 175.38 2uu9 s TYR 20 N 0.82 3.41 -0.17 0.00 1.51 0.93 -1.29 117.35 122.56 2uu9 s TYR 20 Ca 0.12 0.89 -0.05 0.00 -1.01 0.00 0.00 57.07 57.02 2uu9 s TYR 20 Cb -0.20 -2.71 -0.03 0.00 -0.11 0.00 0.00 41.96 38.90 2uu9 s TYR 20 CO -0.10 -0.07 0.00 0.42 -1.11 0.00 0.00 175.55 174.69 2uu9 s ILE 21 N 1.51 4.24 -0.52 2.71 1.01 0.41 -0.85 121.20 129.71 2uu9 s ILE 21 Ca 0.27 -0.23 0.04 0.00 0.00 0.00 0.00 60.65 60.73 2uu9 s ILE 21 Cb -0.16 -2.88 0.13 0.00 0.01 0.00 0.00 42.46 39.56 2uu9 s ILE 21 CO 0.11 0.48 0.27 -2.28 0.00 0.00 0.00 174.94 173.51 2uu9 s HIS 22 N 0.37 3.19 0.19 3.97 5.65 -0.05 -1.64 115.29 126.97 2uu9 s HIS 22 Ca -0.01 -3.17 -0.15 0.00 0.25 0.00 0.00 55.06 51.97 2uu9 s HIS 22 Cb -0.13 -2.83 -0.07 0.00 -1.18 0.00 0.00 32.58 28.37 2uu9 s HIS 22 CO 0.02 -0.74 0.61 0.00 -0.65 0.00 0.00 174.74 173.98 2uu9 s ALA 23 N -0.31 3.51 0.19 1.58 0.00 -0.17 -2.12 121.76 124.44 2uu9 s ALA 23 Ca 0.17 -0.06 -0.17 0.00 0.00 0.00 0.00 51.96 51.89 2uu9 s ALA 23 Cb -0.26 -2.60 0.03 0.00 0.00 0.00 0.00 23.12 20.29 2uu9 s ALA 23 CO -0.00 0.42 0.51 -1.54 0.00 0.00 0.00 175.76 175.15 2uu9 s SER 24 N -1.84 -0.26 0.00 0.00 1.04 -0.72 -3.70 113.70 108.22 2uu9 s SER 24 Ca 0.42 -0.47 0.11 0.00 0.48 0.00 0.00 55.95 56.49 2uu9 s SER 24 Cb -0.14 0.57 0.68 0.00 0.10 0.00 0.00 66.02 67.23 2uu9 s SER 24 CO 0.20 -1.03 1.12 -1.22 0.98 0.00 0.00 173.24 173.28 2uu9 n TYR 25 N -0.33 0.00 -0.29 5.02 4.02 -1.26 -2.98 117.16 121.34 2uu9 n TYR 25 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.79 2uu9 n TYR 25 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.95 2uu9 n TYR 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2uu9 n ASN 26 N -0.87 0.69 0.00 7.72 3.02 -1.26 -4.82 115.26 119.75 2uu9 n ASN 26 Ca 0.09 -0.99 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 2uu9 n ASN 26 Cb 0.04 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 2uu9 n ASN 26 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2uu9 n ASN 27 N -0.01 0.00 -4.28 6.41 2.85 -1.16 -3.68 115.26 115.39 2uu9 n ASN 27 Ca 0.00 0.00 -0.24 0.00 -0.11 0.00 0.00 54.58 54.23 2uu9 n ASN 27 Cb 0.07 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 40.97 2uu9 n ASN 27 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2uu9 s THR 28 N -2.00 1.70 -0.23 -0.44 2.01 -1.24 -1.75 115.64 113.69 2uu9 s THR 28 Ca 0.00 -1.55 -0.10 0.00 0.31 0.00 0.00 61.69 60.36 2uu9 s THR 28 Cb 0.00 -1.55 0.09 0.00 0.01 0.00 0.00 72.50 71.05 2uu9 s THR 28 CO 0.00 -0.07 0.52 -0.51 -0.69 0.00 0.00 174.62 173.87 2uu9 s ILE 29 N -1.19 -0.50 -0.14 1.82 2.07 -0.90 -3.00 121.20 119.36 2uu9 s ILE 29 Ca 0.06 0.08 -0.07 0.00 -1.41 0.00 0.00 60.65 59.32 2uu9 s ILE 29 Cb -0.10 -0.79 -0.04 0.00 0.13 0.00 0.00 42.46 41.66 2uu9 s ILE 29 CO 0.04 0.03 0.09 -0.69 -1.91 0.00 0.00 174.94 172.51 2uu9 s VAL 30 N 2.28 5.07 -0.10 4.00 1.01 -0.67 -0.87 120.40 131.12 2uu9 s VAL 30 Ca -0.06 0.05 0.02 0.00 0.00 0.00 0.00 61.98 61.99 2uu9 s VAL 30 Cb -0.10 -3.23 0.01 0.00 0.00 0.00 0.00 36.38 33.06 2uu9 s VAL 30 CO -0.15 0.54 -0.14 -0.89 0.00 0.00 0.00 175.10 174.46 2uu9 s THR 31 N -0.40 1.38 -0.10 3.92 2.01 -0.03 -1.20 115.64 121.23 2uu9 s THR 31 Ca 0.10 -0.58 -0.02 0.00 0.31 0.00 0.00 61.69 61.50 2uu9 s THR 31 Cb -0.12 -1.27 -0.03 0.00 0.01 0.00 0.00 72.50 71.09 2uu9 s THR 31 CO 0.02 0.42 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.72 2uu9 s ILE 32 N 0.97 4.15 0.40 1.82 1.01 0.13 -0.05 121.20 129.62 2uu9 s ILE 32 Ca -0.07 -0.30 0.05 0.00 0.00 0.00 0.00 60.65 60.32 2uu9 s ILE 32 Cb -0.15 -2.75 -0.02 0.00 0.01 0.00 0.00 42.46 39.55 2uu9 s ILE 32 CO -0.01 0.58 0.18 0.42 0.00 0.00 0.00 174.94 176.12 2uu9 s THR 33 N -0.63 0.37 0.75 2.92 -4.23 0.20 0.69 115.64 115.71 2uu9 s THR 33 Ca 0.10 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.53 2uu9 s THR 33 Cb -0.12 -2.35 0.09 0.00 1.34 0.00 0.00 72.50 71.46 2uu9 s THR 33 CO 0.02 0.00 1.06 1.51 -0.54 0.00 0.00 174.62 176.68 2uu9 s ASP 34 N -3.56 4.53 0.00 3.99 1.47 0.04 -1.64 116.67 121.50 2uu9 s ASP 34 Ca 0.27 0.37 0.00 0.00 1.18 0.00 0.00 52.55 54.38 2uu9 s ASP 34 Cb 0.02 -0.91 0.00 0.00 -0.34 0.00 0.00 42.92 41.69 2uu9 s ASP 34 CO 0.19 -1.79 0.63 -2.65 0.68 0.00 0.00 175.17 172.22 2uu9 n PRO 35 N -3.05 0.00 -0.03 2.11 -0.02 -1.24 -0.84 135.00 131.94 2uu9 n PRO 35 Ca 0.10 0.18 0.06 0.00 -2.02 0.00 0.00 63.50 61.81 2uu9 n PRO 35 Cb 0.60 -1.54 0.06 0.00 -0.02 0.00 0.00 33.50 32.61 2uu9 n PRO 35 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2uu9 n ASP 36 N -1.13 2.10 0.00 2.55 10.43 -1.26 -4.98 116.55 124.26 2uu9 n ASP 36 Ca 0.00 -1.55 0.00 0.00 2.57 0.00 0.00 54.79 55.81 2uu9 n ASP 36 Cb 0.04 -0.03 0.00 0.00 1.84 0.00 0.00 41.12 42.97 2uu9 n ASP 36 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2uu9 n GLY 37 N 0.63 0.38 3.68 0.44 0.00 -0.02 -5.05 105.19 105.26 2uu9 n GLY 37 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 2uu9 n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2uu9 s ASN 38 N -2.34 7.09 0.27 1.61 -0.87 -1.26 -4.71 114.94 114.72 2uu9 s ASN 38 Ca 0.00 1.68 -0.31 0.00 -1.57 0.00 0.00 52.86 52.66 2uu9 s ASN 38 Cb 0.00 -2.55 -0.12 0.00 -0.02 0.00 0.00 41.25 38.56 2uu9 s ASN 38 CO 0.00 -0.59 1.63 -0.81 -2.57 0.00 0.00 177.10 174.76 2uu9 n PRO 39 N 5.49 2.72 -0.13 -0.60 -0.04 -1.26 -0.78 135.00 140.40 2uu9 n PRO 39 Ca 0.11 0.97 -0.23 0.00 -0.04 0.00 0.00 63.50 64.32 2uu9 n PRO 39 Cb 0.47 -2.77 -0.11 0.00 -0.04 0.00 0.00 33.50 31.04 2uu9 n PRO 39 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2uu9 n ILE 40 N 2.63 1.49 -3.67 0.52 5.41 0.22 -4.88 119.36 121.07 2uu9 n ILE 40 Ca 0.11 -0.49 -0.09 0.00 1.00 0.00 0.00 62.75 63.27 2uu9 n ILE 40 Cb 0.36 -1.60 -0.02 0.00 -0.71 0.00 0.00 39.64 37.67 2uu9 n ILE 40 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 2uu9 s THR 41 N -2.51 0.00 0.21 1.39 -4.23 -1.13 -5.01 115.64 104.36 2uu9 s THR 41 Ca -0.36 -0.59 -0.14 0.00 -1.18 0.00 0.00 61.69 59.42 2uu9 s THR 41 Cb 0.11 -1.56 0.01 0.00 1.34 0.00 0.00 72.50 72.40 2uu9 s THR 41 CO 0.55 -0.02 0.46 -1.66 -0.54 0.00 0.00 174.62 173.41 2uu9 s TRP 42 N -3.85 0.19 0.25 3.99 1.48 -1.26 -0.70 118.94 119.05 2uu9 s TRP 42 Ca 0.07 -0.55 -0.14 0.00 -1.06 0.00 0.00 56.10 54.42 2uu9 s TRP 42 Cb -0.03 0.22 -0.00 0.00 -1.16 0.00 0.00 33.47 32.49 2uu9 s TRP 42 CO -0.02 -0.91 0.51 0.45 -4.06 0.00 0.00 176.95 172.92 2uu9 s SER 43 N -2.96 -0.11 0.19 -2.66 0.15 -0.34 -4.71 113.70 103.26 2uu9 s SER 43 Ca 0.16 -0.88 -0.12 0.00 0.70 0.00 0.00 55.95 55.81 2uu9 s SER 43 Cb -0.00 0.60 0.04 0.00 -1.71 0.00 0.00 66.02 64.96 2uu9 s SER 43 CO 0.03 -1.17 0.60 -1.54 1.20 0.00 0.00 173.24 172.36 2uu9 n SER 44 N -0.39 -1.33 0.16 5.45 3.41 -1.26 -1.67 113.62 117.99 2uu9 n SER 44 Ca -0.02 -1.82 0.01 0.00 -0.26 0.00 0.00 58.87 56.78 2uu9 n SER 44 Cb 0.61 2.18 0.26 0.00 -0.26 0.00 0.00 64.21 67.00 2uu9 n SER 44 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2uu9 h GLY 45 N 1.30 0.00 1.62 5.00 0.00 -1.79 -2.90 103.07 106.30 2uu9 h GLY 45 Ca -0.20 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.87 2uu9 h GLY 45 CO 0.26 0.00 -1.26 -1.33 0.00 0.00 0.00 176.54 174.21 2uu9 h GLY 46 N 1.57 0.19 1.98 4.60 0.00 -1.89 -3.16 103.07 106.37 2uu9 h GLY 46 Ca -0.01 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 2uu9 h GLY 46 CO 0.07 0.44 -0.03 -0.24 0.00 0.00 0.00 176.54 176.78 2uu9 h VAL 47 N 0.05 1.03 -2.64 4.60 3.04 -1.82 -3.40 116.25 117.10 2uu9 h VAL 47 Ca -0.13 -0.14 -0.45 0.00 -1.01 0.00 0.00 66.70 64.97 2uu9 h VAL 47 Cb 1.92 1.05 0.07 0.00 -2.01 0.00 0.00 31.29 32.33 2uu9 h VAL 47 CO 0.17 0.04 0.09 -0.63 -1.01 0.00 0.00 177.57 176.23 2uu9 s ILE 48 N -5.00 2.33 0.42 3.17 -1.09 -1.11 -4.93 121.20 115.00 2uu9 s ILE 48 Ca -0.05 -0.53 0.22 0.00 -2.23 0.00 0.00 60.65 58.06 2uu9 s ILE 48 Cb 0.17 -2.80 0.42 0.00 -1.58 0.00 0.00 42.46 38.67 2uu9 s ILE 48 CO 0.68 0.00 1.77 1.23 -1.23 0.00 0.00 174.94 177.39 2uu9 h GLY 49 N -0.39 1.01 -4.04 6.18 0.00 -1.77 -3.45 103.07 100.61 2uu9 h GLY 49 Ca -0.40 -0.16 -0.58 0.00 0.00 0.00 0.00 47.33 46.19 2uu9 h GLY 49 CO 0.48 -0.13 0.32 -1.72 0.00 0.00 0.00 176.54 175.49 2uu9 n TYR 50 N -4.56 1.72 0.00 5.60 0.53 -1.21 -4.97 117.16 114.27 2uu9 n TYR 50 Ca 0.26 0.58 0.00 0.00 -1.02 0.00 0.00 57.90 57.72 2uu9 n TYR 50 Cb 0.97 -2.32 0.00 0.00 -1.03 0.00 0.00 39.34 36.96 2uu9 n TYR 50 CO 0.00 0.00 0.00 1.63 -1.02 0.00 0.00 176.86 177.47 2uu9 n LYS 51 N 0.39 0.00 0.00 -0.72 5.02 -1.26 -3.99 118.16 117.59 2uu9 n LYS 51 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2uu9 n LYS 51 Cb 0.37 -0.55 0.00 0.00 -0.02 0.00 0.00 35.03 34.83 2uu9 n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2uu9 n GLY 52 N 2.60 0.87 0.05 0.72 0.00 -1.26 -4.82 105.19 103.34 2uu9 n GLY 52 Ca 0.00 -0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 2uu9 n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2uu9 n SER 53 N 0.00 0.26 0.08 1.61 3.41 -1.26 -3.73 113.62 113.99 2uu9 n SER 53 Ca 0.00 -0.16 0.09 0.00 -0.26 0.00 0.00 58.87 58.54 2uu9 n SER 53 Cb 0.00 -0.18 0.40 0.00 -0.26 0.00 0.00 64.21 64.17 2uu9 n SER 53 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2uu9 n ARG 54 N -1.24 0.11 0.08 4.33 1.74 -1.26 -2.53 116.66 117.89 2uu9 n ARG 54 Ca 0.11 0.40 -0.03 0.00 -0.77 0.00 0.00 57.85 57.57 2uu9 n ARG 54 Cb 0.29 -1.73 0.20 0.00 -1.02 0.00 0.00 32.46 30.20 2uu9 n ARG 54 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2uu9 h LYS 55 N 0.00 0.28 -0.02 5.56 1.57 -1.83 -2.46 116.57 119.66 2uu9 h LYS 55 Ca 0.00 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2uu9 h LYS 55 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2uu9 h LYS 55 CO 0.00 0.67 0.00 0.41 -0.57 0.00 0.00 179.45 179.96 2uu9 n GLY 56 N -0.10 -0.82 3.77 3.86 0.00 -1.05 -3.70 105.19 107.15 2uu9 n GLY 56 Ca -0.02 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 2uu9 n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2uu9 s THR 57 N -1.98 2.84 0.44 2.61 2.01 -0.93 -4.42 115.64 116.21 2uu9 s THR 57 Ca 0.36 0.81 0.11 0.00 0.31 0.00 0.00 61.69 63.27 2uu9 s THR 57 Cb 0.17 -3.50 0.29 0.00 0.01 0.00 0.00 72.50 69.47 2uu9 s THR 57 CO 0.28 0.16 2.05 1.55 -0.69 0.00 0.00 174.62 177.97 2uu9 h PRO 58 N 3.17 0.41 -0.18 4.92 0.13 -1.88 -0.77 132.00 137.80 2uu9 h PRO 58 Ca -0.49 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 2uu9 h PRO 58 Cb 1.23 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2uu9 h PRO 58 CO 0.65 0.27 0.05 -0.92 -0.23 0.00 0.00 178.00 177.82 2uu9 h TYR 59 N 0.42 0.30 -0.46 1.56 3.20 -1.91 -2.08 116.97 118.00 2uu9 h TYR 59 Ca 0.16 -0.03 0.09 0.00 3.14 0.00 0.00 58.73 62.09 2uu9 h TYR 59 Cb 0.13 -0.09 -0.10 0.00 1.54 0.00 0.00 36.73 38.22 2uu9 h TYR 59 CO -0.00 0.41 -0.21 0.00 -1.64 0.00 0.00 178.16 176.72 2uu9 h ALA 60 N 0.86 0.13 -0.52 1.82 0.00 -1.41 0.16 119.26 120.30 2uu9 h ALA 60 Ca 0.06 0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.23 2uu9 h ALA 60 Cb 0.25 0.52 -0.10 0.00 0.00 0.00 0.00 17.79 18.46 2uu9 h ALA 60 CO -0.00 -0.56 -0.20 0.00 0.00 0.00 0.00 179.25 178.49 2uu9 h ALA 61 N 1.20 0.20 -0.07 0.00 0.00 -0.86 -0.82 119.26 118.90 2uu9 h ALA 61 Ca 0.22 0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.33 2uu9 h ALA 61 Cb 0.45 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 2uu9 h ALA 61 CO -0.54 -0.53 -0.35 0.37 0.00 0.00 0.00 179.25 178.21 2uu9 h GLN 62 N -0.08 -0.37 -0.41 0.00 4.15 -0.03 0.20 115.11 118.57 2uu9 h GLN 62 Ca 0.24 0.03 0.09 0.00 0.77 0.00 0.00 58.65 59.77 2uu9 h GLN 62 Cb 0.46 0.08 -0.09 0.00 0.21 0.00 0.00 27.48 28.15 2uu9 h GLN 62 CO -0.57 -0.25 -0.22 -0.07 -1.93 0.00 0.00 178.83 175.79 2uu9 h LEU 63 N -0.38 -0.73 -0.44 -2.39 3.38 -0.89 0.51 115.31 114.36 2uu9 h LEU 63 Ca 0.02 0.16 0.08 0.00 0.09 0.00 0.00 57.88 58.23 2uu9 h LEU 63 Cb 0.44 0.39 -0.07 0.00 0.09 0.00 0.00 40.66 41.51 2uu9 h LEU 63 CO -0.27 -0.24 0.02 0.00 0.09 0.00 0.00 178.44 178.04 2uu9 h ALA 64 N 1.10 0.43 0.20 1.53 0.00 -0.71 0.41 119.26 122.22 2uu9 h ALA 64 Ca 0.20 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2uu9 h ALA 64 Cb 0.45 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2uu9 h ALA 64 CO -0.49 -0.37 -0.10 0.00 0.00 0.00 0.00 179.25 178.28 2uu9 h ALA 65 N 1.38 -0.28 -0.68 0.00 0.00 0.26 -2.46 119.26 117.49 2uu9 h ALA 65 Ca 0.22 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.10 2uu9 h ALA 65 Cb 0.31 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2uu9 h ALA 65 CO -0.35 -0.66 0.43 -0.07 0.00 0.00 0.00 179.25 178.60 2uu9 h LEU 66 N -0.28 0.71 -0.23 0.00 3.38 -0.30 -0.90 115.31 117.70 2uu9 h LEU 66 Ca -0.03 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.99 2uu9 h LEU 66 Cb 0.22 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 2uu9 h LEU 66 CO 0.04 0.50 -0.10 -0.78 0.09 0.00 0.00 178.44 178.18 2uu9 h ASP 67 N 0.85 -0.35 -0.43 -0.43 1.82 -0.01 -0.84 116.42 117.02 2uu9 h ASP 67 Ca 0.27 0.09 -0.03 0.00 -0.39 0.00 0.00 57.03 56.96 2uu9 h ASP 67 Cb -0.01 0.20 -0.02 0.00 0.68 0.00 0.00 39.33 40.17 2uu9 h ASP 67 CO -0.09 -0.14 0.17 0.00 -1.61 0.00 0.00 179.24 177.57 2uu9 h ALA 68 N 1.12 1.39 0.03 -0.78 0.00 -0.99 -0.03 119.26 119.99 2uu9 h ALA 68 Ca 0.12 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2uu9 h ALA 68 Cb 0.26 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2uu9 h ALA 68 CO -0.28 0.46 -0.01 0.00 0.00 0.00 0.00 179.25 179.42 2uu9 h ALA 69 N 1.49 -0.03 0.70 0.00 0.00 -0.29 -0.25 119.26 120.88 2uu9 h ALA 69 Ca 0.17 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2uu9 h ALA 69 Cb 0.18 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2uu9 h ALA 69 CO -0.01 -0.49 -0.43 0.87 0.00 0.00 0.00 179.25 179.19 2uu9 h LYS 70 N -0.09 -1.02 -1.21 0.00 1.57 -0.71 0.45 116.57 115.55 2uu9 h LYS 70 Ca -0.00 0.07 0.35 0.00 -1.87 0.00 0.00 60.65 59.19 2uu9 h LYS 70 Cb 0.08 0.23 -0.07 0.00 0.08 0.00 0.00 32.23 32.55 2uu9 h LYS 70 CO 0.01 -0.68 0.84 0.87 -0.57 0.00 0.00 179.45 179.91 2uu9 h LYS 71 N -1.06 0.11 0.06 3.15 1.57 -0.92 0.41 116.57 119.89 2uu9 h LYS 71 Ca -0.09 -0.01 -0.28 0.00 -1.87 0.00 0.00 60.65 58.40 2uu9 h LYS 71 Cb 0.85 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 2uu9 h LYS 71 CO 0.10 0.07 -1.46 0.00 -0.57 0.00 0.00 179.45 177.58 2uu9 h ALA 72 N 1.46 0.42 -1.01 3.86 0.00 -0.17 -3.28 119.26 120.54 2uu9 h ALA 72 Ca 0.62 -1.16 0.10 0.00 0.00 0.00 0.00 54.91 54.47 2uu9 h ALA 72 Cb 2.19 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 20.14 2uu9 h ALA 72 CO -0.12 1.28 0.64 0.52 0.00 0.00 0.00 179.25 181.57 2uu9 h MET 73 N 0.04 1.04 -0.35 0.00 2.86 0.43 0.45 114.93 119.39 2uu9 h MET 73 Ca -0.20 -0.06 0.10 0.00 -2.06 0.00 0.00 59.70 57.48 2uu9 h MET 73 Cb 1.96 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 33.37 2uu9 h MET 73 CO 0.13 0.69 0.42 0.00 1.06 0.00 0.00 176.91 179.21 2uu9 h ALA 74 N 1.51 2.02 -0.47 6.32 0.00 -1.30 0.34 119.26 127.67 2uu9 h ALA 74 Ca 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.37 2uu9 h ALA 74 Cb 0.36 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2uu9 h ALA 74 CO -0.23 -0.60 0.00 0.66 0.00 0.00 0.00 179.25 179.08 2uu9 n TYR 75 N -3.63 1.26 -0.67 0.00 4.02 0.14 -4.88 117.16 113.40 2uu9 n TYR 75 Ca 0.06 -0.48 0.00 0.00 -0.01 0.00 0.00 57.90 57.47 2uu9 n TYR 75 Cb 0.58 -0.26 0.00 0.00 -0.02 0.00 0.00 39.34 39.63 2uu9 n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2uu9 n GLY 76 N 0.79 1.17 3.67 2.72 0.00 0.12 -1.94 105.19 111.72 2uu9 n GLY 76 Ca 0.20 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.71 2uu9 n GLY 76 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2uu9 n MET 77 N -2.00 1.74 -0.01 1.61 0.00 -1.14 -3.51 117.12 113.81 2uu9 n MET 77 Ca 0.00 0.63 -0.01 0.00 0.00 0.00 0.00 57.70 58.33 2uu9 n MET 77 Cb 0.00 -2.39 -0.01 0.00 0.00 0.00 0.00 33.22 30.83 2uu9 n MET 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 2uu9 n GLN 78 N 4.86 0.59 -4.27 2.12 6.02 -1.25 -4.48 117.38 120.96 2uu9 n GLN 78 Ca 0.21 0.01 -0.18 0.00 -0.01 0.00 0.00 57.00 57.03 2uu9 n GLN 78 Cb 0.23 -1.03 -0.13 0.00 1.02 0.00 0.00 30.24 30.34 2uu9 n GLN 78 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2uu9 s SER 79 N -3.99 1.43 -0.03 1.08 1.04 -1.25 0.71 113.70 112.69 2uu9 s SER 79 Ca -0.02 -0.45 -0.14 0.00 0.48 0.00 0.00 55.95 55.82 2uu9 s SER 79 Cb 0.00 -0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.07 2uu9 s SER 79 CO 0.03 -0.01 0.32 0.68 0.98 0.00 0.00 173.24 175.24 2uu9 s VAL 80 N -0.90 0.05 0.07 5.02 -7.23 1.00 -2.25 120.40 116.16 2uu9 s VAL 80 Ca -0.01 -0.40 -0.15 0.00 -1.81 0.00 0.00 61.98 59.62 2uu9 s VAL 80 Cb -0.08 -0.59 -0.06 0.00 0.56 0.00 0.00 36.38 36.21 2uu9 s VAL 80 CO 0.01 -0.22 0.48 -1.81 -0.31 0.00 0.00 175.10 173.24 2uu9 s ASP 81 N -1.10 6.83 -0.06 4.85 -0.00 0.43 -1.25 116.67 126.37 2uu9 s ASP 81 Ca -0.12 1.02 -0.02 0.00 -0.00 0.00 0.00 52.55 53.44 2uu9 s ASP 81 Cb -0.05 -2.27 -0.04 0.00 -0.00 0.00 0.00 42.92 40.57 2uu9 s ASP 81 CO 0.04 0.23 0.04 -0.69 -0.00 0.00 0.00 175.17 174.79 2uu9 s VAL 82 N -1.24 4.56 -0.18 -1.27 1.01 0.34 -0.36 120.40 123.24 2uu9 s VAL 82 Ca 0.30 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.03 2uu9 s VAL 82 Cb -0.16 -2.98 0.04 0.00 0.00 0.00 0.00 36.38 33.28 2uu9 s VAL 82 CO 0.17 0.53 -0.07 -0.63 0.00 0.00 0.00 175.10 175.09 2uu9 s ILE 83 N -0.99 1.35 0.04 2.22 1.09 -0.41 -1.65 121.20 122.85 2uu9 s ILE 83 Ca 0.16 -0.82 -0.10 0.00 -1.10 0.00 0.00 60.65 58.79 2uu9 s ILE 83 Cb -0.12 -1.49 -0.06 0.00 -1.06 0.00 0.00 42.46 39.74 2uu9 s ILE 83 CO 0.06 0.13 0.37 -0.69 -0.10 0.00 0.00 174.94 174.71 2uu9 s VAL 84 N 1.52 5.13 -0.15 2.92 1.01 0.31 -0.44 120.40 130.70 2uu9 s VAL 84 Ca -0.01 0.48 -0.06 0.00 0.00 0.00 0.00 61.98 62.39 2uu9 s VAL 84 Cb -0.16 -3.64 0.06 0.00 0.00 0.00 0.00 36.38 32.65 2uu9 s VAL 84 CO -0.08 0.37 0.32 -0.13 0.00 0.00 0.00 175.10 175.59 2uu9 s ARG 85 N -1.68 0.25 0.00 2.72 0.52 -0.65 -0.71 118.95 119.39 2uu9 s ARG 85 Ca 0.29 0.77 0.00 0.00 -0.52 0.00 0.00 55.73 56.28 2uu9 s ARG 85 Cb -0.14 0.03 0.00 0.00 0.52 0.00 0.00 34.95 35.36 2uu9 s ARG 85 CO 0.16 -0.22 0.00 0.41 0.02 0.00 0.00 175.30 175.67 2uu9 n GLY 86 N 4.88 1.13 1.74 -3.53 0.00 -1.26 -1.00 105.19 107.14 2uu9 n GLY 86 Ca -0.15 -1.95 -0.09 0.00 0.00 0.00 0.00 46.02 43.83 2uu9 n GLY 86 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2uu9 n THR 87 N 1.64 2.00 -1.19 2.61 -2.24 -1.25 -4.75 114.28 111.10 2uu9 n THR 87 Ca 0.00 -3.45 -0.29 0.00 -2.27 0.00 0.00 64.05 58.04 2uu9 n THR 87 Cb 0.00 -0.29 0.16 0.00 -2.10 0.00 0.00 70.33 68.10 2uu9 n THR 87 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2uu9 s GLY 88 N -3.39 1.58 0.94 3.38 0.00 -1.24 -4.75 107.32 103.83 2uu9 s GLY 88 Ca 0.42 -0.28 -0.12 0.00 0.00 0.00 0.00 44.72 44.74 2uu9 s GLY 88 CO -0.02 0.30 1.10 0.00 0.00 0.00 0.00 173.10 174.48 2uu9 s ALA 89 N -2.97 1.38 -1.14 3.20 0.00 -1.24 -3.85 121.76 117.15 2uu9 s ALA 89 Ca 0.65 -0.32 -0.26 0.00 0.00 0.00 0.00 51.96 52.02 2uu9 s ALA 89 Cb -0.18 -3.11 0.02 0.00 0.00 0.00 0.00 23.12 19.85 2uu9 s ALA 89 CO 0.57 -2.51 0.71 0.41 0.00 0.00 0.00 175.76 174.95 2uu9 n GLY 90 N -1.44 -0.95 0.03 0.00 0.00 -1.26 -4.73 105.19 96.84 2uu9 n GLY 90 Ca 0.06 0.41 -0.04 0.00 0.00 0.00 0.00 46.02 46.45 2uu9 n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2uu9 n ARG 91 N -4.47 1.53 0.09 1.61 0.00 -1.25 -4.17 116.66 110.00 2uu9 n ARG 91 Ca -0.12 0.02 -0.11 0.00 -0.00 0.00 0.00 57.85 57.63 2uu9 n ARG 91 Cb 0.58 -1.13 -0.07 0.00 0.00 0.00 0.00 32.46 31.84 2uu9 n ARG 91 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 2uu9 h GLU 92 N 0.00 0.20 0.00 -0.14 4.57 -1.88 -2.75 114.58 114.59 2uu9 h GLU 92 Ca -0.14 -0.28 -0.03 0.00 -1.18 0.00 0.00 59.36 57.73 2uu9 h GLU 92 Cb 1.27 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.94 2uu9 h GLU 92 CO -0.01 1.06 -0.16 1.96 -1.18 0.00 0.00 179.01 180.68 2uu9 h GLN 93 N 0.09 0.00 -0.15 1.92 1.08 -1.89 0.35 115.11 116.50 2uu9 h GLN 93 Ca -0.07 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 56.93 2uu9 h GLN 93 Cb 1.70 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.14 2uu9 h GLN 93 CO 0.16 0.16 -0.70 0.00 -0.95 0.00 0.00 178.83 177.50 2uu9 h ALA 94 N 1.84 0.47 0.36 3.87 0.00 -1.66 -1.10 119.26 123.04 2uu9 h ALA 94 Ca -0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 2uu9 h ALA 94 Cb 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2uu9 h ALA 94 CO 0.02 0.71 -0.17 0.82 0.00 0.00 0.00 179.25 180.63 2uu9 h ILE 95 N 0.47 0.00 -0.60 0.00 1.08 -0.91 -2.53 117.51 115.02 2uu9 h ILE 95 Ca -0.03 -0.15 0.08 0.00 -0.39 0.00 0.00 64.86 64.37 2uu9 h ILE 95 Cb 1.30 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.96 2uu9 h ILE 95 CO 0.14 0.00 -0.27 -1.14 -0.69 0.00 0.00 178.15 176.18 2uu9 n ARG 96 N -3.73 -0.18 0.23 2.37 3.00 0.11 0.13 116.66 118.59 2uu9 n ARG 96 Ca -0.06 0.92 -0.17 0.00 -0.00 0.00 0.00 57.85 58.54 2uu9 n ARG 96 Cb 0.19 -1.36 -0.09 0.00 0.00 0.00 0.00 32.46 31.21 2uu9 n ARG 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2uu9 h ALA 97 N 0.65 -0.93 -0.61 5.13 0.00 -1.21 -1.11 119.26 121.18 2uu9 h ALA 97 Ca 0.17 -0.14 0.18 0.00 0.00 0.00 0.00 54.91 55.12 2uu9 h ALA 97 Cb 0.32 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2uu9 h ALA 97 CO -0.59 -1.07 0.59 -0.07 0.00 0.00 0.00 179.25 178.11 2uu9 h LEU 98 N -0.84 0.00 -0.13 0.00 3.38 0.15 0.18 115.31 118.04 2uu9 h LEU 98 Ca -0.03 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 2uu9 h LEU 98 Cb 0.76 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.52 2uu9 h LEU 98 CO -0.10 0.00 -0.53 1.56 0.09 0.00 0.00 178.44 179.46 2uu9 h GLN 99 N 0.00 0.59 -0.18 1.13 4.20 0.02 -3.17 115.11 117.71 2uu9 h GLN 99 Ca 0.29 -0.46 0.00 0.00 0.06 0.00 0.00 58.65 58.54 2uu9 h GLN 99 Cb 1.46 0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.32 2uu9 h GLN 99 CO -0.00 1.08 0.00 0.00 -0.67 0.00 0.00 178.83 179.24 2uu9 n ALA 100 N -2.55 2.51 0.66 3.87 0.00 0.34 -4.30 120.51 121.04 2uu9 n ALA 100 Ca -0.07 -0.54 -0.02 0.00 0.00 0.00 0.00 53.44 52.80 2uu9 n ALA 100 Cb 0.61 -1.08 0.04 0.00 0.00 0.00 0.00 19.45 19.03 2uu9 n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2uu9 n SER 101 N 0.37 2.64 0.00 0.00 3.41 0.35 -4.85 113.62 115.54 2uu9 n SER 101 Ca 0.16 -2.22 0.00 0.00 -0.26 0.00 0.00 58.87 56.55 2uu9 n SER 101 Cb 0.34 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 2uu9 n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2uu9 n GLY 102 N 0.19 0.89 3.68 5.00 0.00 -1.26 -4.87 105.19 108.82 2uu9 n GLY 102 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 2uu9 n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2uu9 n LEU 103 N 0.00 3.23 -4.65 0.99 4.77 -1.26 -4.91 117.00 115.17 2uu9 n LEU 103 Ca 0.00 1.18 -0.42 0.00 -0.03 0.00 0.00 56.01 56.74 2uu9 n LEU 103 Cb 0.00 -1.45 -0.04 0.00 -2.33 0.00 0.00 43.42 39.61 2uu9 n LEU 103 CO 0.00 -0.55 0.71 -1.58 -1.33 0.00 0.00 177.39 174.64 2uu9 s GLN 104 N -1.21 4.22 -0.73 3.23 0.74 0.22 -4.71 119.66 121.42 2uu9 s GLN 104 Ca 0.61 1.05 -0.24 0.00 0.05 0.00 0.00 55.36 56.83 2uu9 s GLN 104 Cb -0.61 -3.63 0.06 0.00 1.10 0.00 0.00 33.01 29.92 2uu9 s GLN 104 CO 0.57 -0.52 1.13 0.08 -0.55 0.00 0.00 175.29 176.00 2uu9 s VAL 105 N 2.83 4.07 0.23 1.34 1.01 -1.26 -0.00 120.40 128.62 2uu9 s VAL 105 Ca 0.37 -0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.19 2uu9 s VAL 105 Cb -0.15 -4.81 0.09 0.00 0.00 0.00 0.00 36.38 31.51 2uu9 s VAL 105 CO 0.08 -1.66 1.72 0.11 0.00 0.00 0.00 175.10 175.34 2uu9 h LYS 106 N 9.74 0.87 -1.04 2.72 1.79 -1.55 -3.47 116.57 125.63 2uu9 h LYS 106 Ca -0.24 -0.26 0.21 0.00 -2.18 0.00 0.00 60.65 58.19 2uu9 h LYS 106 Cb 1.06 -0.09 -0.32 0.00 -1.58 0.00 0.00 32.23 31.29 2uu9 h LYS 106 CO 1.23 0.88 0.92 -1.54 -1.08 0.00 0.00 179.45 179.87 2uu9 s SER 107 N -6.63 -0.03 0.06 0.86 1.04 -1.26 -5.01 113.70 102.73 2uu9 s SER 107 Ca -0.10 0.05 -0.04 0.00 0.48 0.00 0.00 55.95 56.34 2uu9 s SER 107 Cb 0.14 0.05 -0.05 0.00 0.10 0.00 0.00 66.02 66.27 2uu9 s SER 107 CO 0.83 -0.01 0.27 -0.63 0.98 0.00 0.00 173.24 174.68 2uu9 s ILE 108 N -0.18 5.30 -0.26 -1.02 1.09 -1.26 0.13 121.20 125.00 2uu9 s ILE 108 Ca 0.08 -0.07 -0.08 0.00 -1.10 0.00 0.00 60.65 59.48 2uu9 s ILE 108 Cb -0.04 -3.60 0.12 0.00 -1.06 0.00 0.00 42.46 37.88 2uu9 s ILE 108 CO -0.15 0.20 0.54 -0.69 -0.10 0.00 0.00 174.94 174.74 2uu9 s VAL 109 N -1.47 -0.84 -0.21 2.92 1.01 -0.66 -4.92 120.40 116.24 2uu9 s VAL 109 Ca 0.34 0.06 -0.22 0.00 0.00 0.00 0.00 61.98 62.16 2uu9 s VAL 109 Cb -0.13 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 2uu9 s VAL 109 CO 0.22 0.02 0.71 -0.62 0.00 0.00 0.00 175.10 175.44 2uu9 s ASP 110 N 2.76 6.76 -0.27 3.32 2.15 -1.26 -0.53 116.67 129.60 2uu9 s ASP 110 Ca -0.01 0.93 0.14 0.00 0.43 0.00 0.00 52.55 54.04 2uu9 s ASP 110 Cb -0.12 -2.39 0.48 0.00 -0.30 0.00 0.00 42.92 40.59 2uu9 s ASP 110 CO -0.16 -0.36 1.16 -0.67 -0.17 0.00 0.00 175.17 174.97 2uu9 n ASP 111 N 5.35 3.46 -4.75 -0.34 2.03 0.11 -4.90 116.55 117.51 2uu9 n ASP 111 Ca 0.01 -3.05 -0.41 0.00 0.52 0.00 0.00 54.79 51.86 2uu9 n ASP 111 Cb 0.49 -0.40 -0.02 0.00 -0.72 0.00 0.00 41.12 40.47 2uu9 n ASP 111 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2uu9 s THR 112 N -4.16 2.45 0.50 5.18 2.01 -1.22 -4.87 115.64 115.53 2uu9 s THR 112 Ca 0.41 0.38 -0.20 0.00 0.31 0.00 0.00 61.69 62.59 2uu9 s THR 112 Cb 0.37 -3.24 -0.08 0.00 0.01 0.00 0.00 72.50 69.57 2uu9 s THR 112 CO 0.00 0.06 1.05 -2.16 -0.69 0.00 0.00 174.62 172.88 2uu9 s PRO 113 N -0.47 3.71 -0.18 4.92 0.04 -1.26 -4.99 135.00 136.77 2uu9 s PRO 113 Ca 0.60 1.36 -0.08 0.00 0.04 0.00 0.00 61.00 62.92 2uu9 s PRO 113 Cb -0.44 -2.08 0.07 0.00 0.04 0.00 0.00 34.50 32.09 2uu9 s PRO 113 CO 0.45 -0.51 0.40 0.54 0.04 0.00 0.00 177.00 177.92 2uu9 s VAL 114 N -2.03 -0.30 0.63 -0.36 0.11 -1.26 -5.02 120.40 112.17 2uu9 s VAL 114 Ca 0.67 0.14 -0.11 0.00 -2.93 0.00 0.00 61.98 59.75 2uu9 s VAL 114 Cb -0.17 -0.61 -0.03 0.00 -1.53 0.00 0.00 36.38 34.04 2uu9 s VAL 114 CO 0.23 0.06 1.04 -2.16 -3.33 0.00 0.00 175.10 170.93 2uu9 s PRO 115 N 1.95 3.44 -0.31 1.54 0.04 -1.26 -4.90 135.00 135.50 2uu9 s PRO 115 Ca -0.06 0.82 0.02 0.00 0.04 0.00 0.00 61.00 61.82 2uu9 s PRO 115 Cb -0.10 -2.06 0.40 0.00 0.04 0.00 0.00 34.50 32.79 2uu9 s PRO 115 CO -0.12 -0.70 1.67 0.72 0.04 0.00 0.00 177.00 178.61 2uu9 n HIS 116 N -2.79 1.99 -1.35 0.56 8.25 -1.26 -4.83 115.22 115.79 2uu9 n HIS 116 Ca 0.06 -1.53 0.00 0.00 -0.26 0.00 0.00 57.72 55.99 2uu9 n HIS 116 Cb 0.54 -0.77 0.00 0.00 1.12 0.00 0.00 29.99 30.88 2uu9 n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2uu9 n ASN 117 N -0.47 -1.80 0.05 0.41 3.02 -1.26 -5.12 115.26 110.09 2uu9 n ASN 117 Ca 0.39 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.94 2uu9 n ASN 117 Cb 1.14 -0.90 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 2uu9 n ASN 117 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2uu9 n GLY 118 N 0.06 -0.10 3.83 7.41 0.00 -1.26 -5.09 105.19 110.04 2uu9 n GLY 118 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2uu9 n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uu9 s ARG 120 N -1.21 4.17 0.88 0.00 3.52 -1.26 -4.96 118.95 120.08 2uu9 s ARG 120 Ca 0.17 2.36 -0.10 0.00 -0.13 0.00 0.00 55.73 58.03 2uu9 s ARG 120 Cb -0.12 -4.04 0.12 0.00 -1.56 0.00 0.00 34.95 29.35 2uu9 s ARG 120 CO 0.07 -0.89 1.14 -2.14 -0.81 0.00 0.00 175.30 172.68 2uu9 s PRO 121 N 4.16 1.31 0.68 5.12 0.02 -1.26 -4.96 135.00 140.07 2uu9 s PRO 121 Ca 0.79 1.50 -0.16 0.00 0.02 0.00 0.00 61.00 63.15 2uu9 s PRO 121 Cb -0.37 -1.76 0.01 0.00 0.02 0.00 0.00 34.50 32.39 2uu9 s PRO 121 CO 0.34 -2.41 1.22 0.15 -0.33 0.00 0.00 177.00 175.97 2uu9 s LYS 122 N -4.64 2.44 0.38 5.54 1.02 -1.26 -4.79 119.74 118.42 2uu9 s LYS 122 Ca 0.66 1.82 0.19 0.00 0.02 0.00 0.00 55.97 58.66 2uu9 s LYS 122 Cb -0.22 -1.86 1.16 0.00 -0.52 0.00 0.00 37.83 36.38 2uu9 s LYS 122 CO 0.57 -1.62 1.69 -0.22 -0.92 0.00 0.00 175.35 174.85 2uu9 h LYS 123 N 0.15 0.30 -0.06 1.68 3.11 -1.99 0.98 116.57 120.74 2uu9 h LYS 123 Ca -0.49 -0.02 0.02 0.00 -2.81 0.00 0.00 60.65 57.35 2uu9 h LYS 123 Cb 1.30 -0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 32.46 2uu9 h LYS 123 CO 0.52 0.20 0.05 -0.22 -2.81 0.00 0.00 179.45 177.19 2uu9 h LYS 124 N 0.31 0.00 -0.64 1.90 3.64 -2.03 -2.79 116.57 116.96 2uu9 h LYS 124 Ca 0.71 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.73 2uu9 h LYS 124 Cb 1.80 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 33.41 2uu9 h LYS 124 CO -0.46 0.00 0.18 1.19 -2.27 0.00 0.00 179.45 178.09 2uu9 n PHE 125 N -4.17 2.02 -4.44 1.91 3.01 0.34 -5.03 117.46 111.10 2uu9 n PHE 125 Ca -0.02 -1.87 -0.34 0.00 1.01 0.00 0.00 57.45 56.24 2uu9 n PHE 125 Cb 0.15 -0.72 -0.12 0.00 -0.01 0.00 0.00 39.48 38.78 2uu9 n PHE 125 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2uu9 s ARG 126 N -3.35 3.43 0.00 -1.08 0.52 -1.06 -4.77 118.95 112.64 2uu9 s ARG 126 Ca 0.51 -0.51 0.00 0.00 -0.52 0.00 0.00 55.73 55.21 2uu9 s ARG 126 Cb 0.44 -2.84 0.00 0.00 0.52 0.00 0.00 34.95 33.07 2uu9 s ARG 126 CO 0.03 0.37 0.00 1.17 0.02 0.00 0.00 175.30 176.89 2uu9 n LYS 127 N 3.13 0.00 -1.12 3.54 3.00 -1.26 -5.10 118.16 120.35 2uu9 n LYS 127 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 2uu9 n LYS 127 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.56 2uu9 n LYS 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2uu9 n ALA 128 N -1.88 0.00 -0.26 3.14 0.00 -1.26 -5.19 120.51 115.06 2uu9 n ALA 128 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2uu9 n ALA 128 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2uu9 n ALA 128 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95