#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1su0 n ASN 7 N 0.00 0.49 0.26 1.45 2.85 -1.26 -4.46 115.26 114.59 1su0 n ASN 7 Ca 0.00 0.00 0.10 0.00 -0.11 0.00 0.00 54.58 54.57 1su0 n ASN 7 Cb 0.00 1.17 0.72 0.00 1.24 0.00 0.00 39.78 42.91 1su0 n ASN 7 CO 0.00 0.00 0.00 1.12 -2.11 0.00 0.00 177.26 176.27 1su0 h HIS 8 N 0.00 0.00 -0.58 1.20 2.07 -2.06 -0.84 115.15 114.94 1su0 h HIS 8 Ca -0.38 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.08 1su0 h HIS 8 Cb 1.84 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.80 1su0 h HIS 8 CO 0.00 0.00 0.14 1.25 -3.07 0.00 0.00 177.93 176.25 1su0 h LEU 9 N 0.00 0.83 -0.93 6.12 7.12 -2.01 -2.84 115.31 123.60 1su0 h LEU 9 Ca 0.01 -0.15 0.05 0.00 0.13 0.00 0.00 57.88 57.91 1su0 h LEU 9 Cb 0.03 -0.22 -0.06 0.00 -0.53 0.00 0.00 40.66 39.89 1su0 h LEU 9 CO -0.00 0.81 0.60 1.88 -0.13 0.00 0.00 178.44 181.60 1su0 h TYR 10 N 0.86 1.11 -0.67 1.25 0.05 -1.40 -1.07 116.97 117.09 1su0 h TYR 10 Ca 0.19 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.95 1su0 h TYR 10 Cb 0.31 -0.37 -0.03 0.00 1.01 0.00 0.00 36.73 37.65 1su0 h TYR 10 CO 0.02 0.61 0.26 1.98 -1.05 0.00 0.00 178.16 179.97 1su0 h MET 11 N 1.12 1.01 -0.28 4.88 4.05 -1.53 -1.01 114.93 123.18 1su0 h MET 11 Ca 0.39 -0.19 -0.08 0.00 -0.28 0.00 0.00 59.70 59.54 1su0 h MET 11 Cb 0.09 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 30.71 1su0 h MET 11 CO -0.15 0.85 -0.15 0.00 0.23 0.00 0.00 176.91 177.69 1su0 h ALA 12 N 1.11 1.23 -0.13 0.39 0.00 -1.27 0.70 119.26 121.28 1su0 h ALA 12 Ca 0.22 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 1su0 h ALA 12 Cb 0.23 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1su0 h ALA 12 CO -0.02 0.50 -0.58 0.28 0.00 0.00 0.00 179.25 179.44 1su0 h VAL 13 N 0.44 1.33 -0.26 0.00 2.07 -0.72 -1.04 116.25 118.07 1su0 h VAL 13 Ca 0.08 -1.85 -0.07 0.00 0.82 0.00 0.00 66.70 65.68 1su0 h VAL 13 Cb 0.52 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1su0 h VAL 13 CO 0.03 0.57 -0.13 0.58 0.02 0.00 0.00 177.57 178.65 1su0 h VAL 14 N 0.29 1.30 -0.89 2.57 2.07 -1.04 -2.53 116.25 118.02 1su0 h VAL 14 Ca -0.03 -1.21 0.08 0.00 0.82 0.00 0.00 66.70 66.36 1su0 h VAL 14 Cb 1.22 1.53 -0.07 0.00 -1.52 0.00 0.00 31.29 32.45 1su0 h VAL 14 CO 0.12 0.38 0.54 0.00 0.02 0.00 0.00 177.57 178.63 1su0 h ALA 15 N 0.73 1.26 -0.43 1.67 0.00 -0.89 -2.40 119.26 119.20 1su0 h ALA 15 Ca 0.06 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1su0 h ALA 15 Cb 0.64 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1su0 h ALA 15 CO 0.04 0.23 0.05 0.22 0.00 0.00 0.00 179.25 179.79 1su0 h ASP 16 N 0.94 0.63 0.81 0.00 3.58 -1.04 0.46 116.42 121.81 1su0 h ASP 16 Ca 0.41 -0.12 -0.12 0.00 0.42 0.00 0.00 57.03 57.62 1su0 h ASP 16 Cb 0.29 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 1su0 h ASP 16 CO -0.21 0.67 -0.59 0.45 -2.88 0.00 0.00 179.24 176.68 1su0 h HIS 17 N 0.64 0.00 0.16 0.28 3.86 -1.07 -1.14 115.15 117.88 1su0 h HIS 17 Ca 0.14 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 59.01 1su0 h HIS 17 Cb 0.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.80 1su0 h HIS 17 CO 0.02 0.59 -1.72 0.66 0.86 0.00 0.00 177.93 178.33 1su0 h SER 18 N 0.00 0.51 0.19 2.45 4.64 -0.96 -3.23 113.55 117.16 1su0 h SER 18 Ca -0.01 -0.80 -0.34 0.00 -0.47 0.00 0.00 61.79 60.18 1su0 h SER 18 Cb 1.15 -0.17 0.01 0.00 -0.31 0.00 0.00 62.40 63.09 1su0 h SER 18 CO 0.08 1.68 -1.66 0.11 -0.87 0.00 0.00 176.83 176.16 1su0 h LYS 19 N 0.09 0.41 -2.19 4.77 1.57 -1.00 -3.41 116.57 116.82 1su0 h LYS 19 Ca -0.32 -0.69 -0.58 0.00 -1.87 0.00 0.00 60.65 57.18 1su0 h LYS 19 Cb 2.07 0.26 -0.41 0.00 0.08 0.00 0.00 32.23 34.22 1su0 h LYS 19 CO 0.16 1.33 -0.73 -2.13 -0.57 0.00 0.00 179.45 177.51 1su0 n ARG 20 N -3.66 2.43 -1.51 3.15 0.63 -0.43 -5.08 116.66 112.19 1su0 n ARG 20 Ca -0.23 -4.45 -0.44 0.00 -0.92 0.00 0.00 57.85 51.81 1su0 n ARG 20 Cb 1.06 -2.07 -0.01 0.00 0.45 0.00 0.00 32.46 31.89 1su0 n ARG 20 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1su0 n PRO 21 N 0.44 0.86 -3.02 -0.14 -0.02 -1.22 -4.64 135.00 127.26 1su0 n PRO 21 Ca 0.29 0.30 -0.32 0.00 -2.02 0.00 0.00 63.50 61.75 1su0 n PRO 21 Cb 0.44 -1.60 -0.05 0.00 -0.02 0.00 0.00 33.50 32.27 1su0 n PRO 21 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1su0 s HIS 22 N -1.20 3.39 -1.37 6.00 3.76 -1.26 -4.22 115.29 120.39 1su0 s HIS 22 Ca 0.61 1.21 -0.06 0.00 -0.15 0.00 0.00 55.06 56.68 1su0 s HIS 22 Cb -0.70 -2.54 0.00 0.00 1.11 0.00 0.00 32.58 30.45 1su0 s HIS 22 CO 0.58 0.02 0.45 0.72 -0.85 0.00 0.00 174.74 175.66 1su0 n HIS 23 N -0.65 -1.63 -3.88 1.40 8.25 -1.26 -4.72 115.22 112.73 1su0 n HIS 23 Ca 0.04 0.64 -0.23 0.00 -0.26 0.00 0.00 57.72 57.90 1su0 n HIS 23 Cb 0.53 -3.53 -0.02 0.00 1.12 0.00 0.00 29.99 28.09 1su0 n HIS 23 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1su0 s HIS 24 N -3.90 3.47 0.00 4.41 5.04 -1.26 -1.30 115.29 121.75 1su0 s HIS 24 Ca 0.11 0.09 0.00 0.00 -1.54 0.00 0.00 55.06 53.72 1su0 s HIS 24 Cb -0.05 -1.65 0.00 0.00 0.04 0.00 0.00 32.58 30.92 1su0 s HIS 24 CO 0.90 0.43 0.00 0.41 -2.34 0.00 0.00 174.74 174.14 1su0 n GLY 25 N -1.11 -1.79 3.05 1.59 0.00 0.16 -4.68 105.19 102.42 1su0 n GLY 25 Ca -0.08 -1.79 -0.17 0.00 0.00 0.00 0.00 46.02 43.99 1su0 n GLY 25 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1su0 s GLN 26 N 0.00 0.66 0.34 1.61 -1.52 -1.26 -0.99 119.66 118.49 1su0 s GLN 26 Ca 0.00 -0.54 -0.19 0.00 -1.95 0.00 0.00 55.36 52.68 1su0 s GLN 26 Cb 0.00 -0.59 -0.10 0.00 -0.22 0.00 0.00 33.01 32.11 1su0 s GLN 26 CO 0.00 0.14 0.82 -0.51 -0.25 0.00 0.00 175.29 175.50 1su0 s LEU 27 N -0.85 4.11 0.22 2.90 1.43 -1.26 -5.04 118.68 120.18 1su0 s LEU 27 Ca -0.01 1.50 -0.27 0.00 -1.03 0.00 0.00 54.13 54.32 1su0 s LEU 27 Cb -0.06 -4.12 -0.09 0.00 0.03 0.00 0.00 46.19 41.95 1su0 s LEU 27 CO 0.00 -0.19 0.85 -1.81 0.23 0.00 0.00 176.35 175.43 1su0 s ASP 28 N -2.05 7.45 -1.61 2.29 1.11 -1.26 -3.85 116.67 118.75 1su0 s ASP 28 Ca 0.54 1.76 0.00 0.00 0.18 0.00 0.00 52.55 55.03 1su0 s ASP 28 Cb -0.12 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.33 1su0 s ASP 28 CO 0.18 0.14 0.00 0.61 1.18 0.00 0.00 175.17 177.28 1su0 n GLY 29 N 1.35 0.69 2.93 0.21 0.00 -1.26 -4.99 105.19 104.12 1su0 n GLY 29 Ca -0.03 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 1su0 n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1su0 s VAL 30 N -2.73 1.36 -0.00 1.61 1.01 -1.25 -5.09 120.40 115.31 1su0 s VAL 30 Ca 0.00 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.79 1su0 s VAL 30 Cb 0.00 -1.54 -0.08 0.00 0.00 0.00 0.00 36.38 34.76 1su0 s VAL 30 CO 0.00 0.08 1.98 -1.61 0.00 0.00 0.00 175.10 175.54 1su0 s GLU 31 N 1.51 4.01 0.68 2.72 8.01 -1.26 -4.86 118.70 129.51 1su0 s GLU 31 Ca -0.02 2.51 -0.11 0.00 0.01 0.00 0.00 54.97 57.36 1su0 s GLU 31 Cb -0.16 -4.18 -0.00 0.00 -4.31 0.00 0.00 34.13 25.47 1su0 s GLU 31 CO -0.08 -1.10 1.07 0.00 0.01 0.00 0.00 175.26 175.17 1su0 s ALA 32 N 4.93 2.93 -0.23 5.21 0.00 -1.26 -4.65 121.76 128.68 1su0 s ALA 32 Ca 0.89 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.63 1su0 s ALA 32 Cb -0.41 -3.06 0.03 0.00 0.00 0.00 0.00 23.12 19.69 1su0 s ALA 32 CO 0.40 -1.01 -0.11 0.08 0.00 0.00 0.00 175.76 175.13 1su0 s VAL 33 N -3.27 2.50 -0.21 0.00 1.01 -0.62 -4.89 120.40 114.93 1su0 s VAL 33 Ca 0.57 -1.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 1su0 s VAL 33 Cb -0.11 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 1su0 s VAL 33 CO 0.53 0.24 -0.05 -1.10 0.00 0.00 0.00 175.10 174.72 1su0 s GLN 34 N 1.27 3.41 0.35 2.72 1.11 -1.25 -0.87 119.66 126.38 1su0 s GLN 34 Ca -0.01 -0.62 0.05 0.00 0.01 0.00 0.00 55.36 54.79 1su0 s GLN 34 Cb -0.16 -2.97 -0.07 0.00 -1.01 0.00 0.00 33.01 28.80 1su0 s GLN 34 CO -0.07 -0.12 0.04 -0.51 0.01 0.00 0.00 175.29 174.64 1su0 s LEU 35 N 1.28 2.41 0.34 2.90 1.43 -1.08 -5.01 118.68 120.94 1su0 s LEU 35 Ca 0.03 -1.36 -0.02 0.00 -1.03 0.00 0.00 54.13 51.75 1su0 s LEU 35 Cb -0.14 -0.55 -0.00 0.00 0.03 0.00 0.00 46.19 45.52 1su0 s LEU 35 CO -0.02 -0.54 0.45 0.54 0.23 0.00 0.00 176.35 177.01 1su0 s ASN 36 N -3.55 0.97 0.00 2.29 4.22 -1.26 -1.99 114.94 115.62 1su0 s ASN 36 Ca 0.36 -1.51 0.00 0.00 -2.14 0.00 0.00 52.86 49.57 1su0 s ASN 36 Cb 0.09 0.65 0.00 0.00 1.28 0.00 0.00 41.25 43.27 1su0 s ASN 36 CO 0.16 -1.27 0.00 -0.46 -2.04 0.00 0.00 177.10 173.50 1su0 n ASN 37 N -1.39 0.00 -0.34 3.54 6.94 0.14 -4.90 115.26 119.24 1su0 n ASN 37 Ca 0.02 0.00 -0.01 0.00 -0.02 0.00 0.00 54.58 54.56 1su0 n ASN 37 Cb 0.62 0.00 0.12 0.00 -2.36 0.00 0.00 39.78 38.16 1su0 n ASN 37 CO 0.00 0.00 0.00 -0.65 -1.03 0.00 0.00 177.26 175.58 1su0 h PRO 38 N 0.00 1.14 0.00 -0.53 0.11 -1.86 -3.46 132.00 127.39 1su0 h PRO 38 Ca 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1su0 h PRO 38 Cb 0.00 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 30.85 1su0 h PRO 38 CO 0.00 0.75 0.00 2.41 -0.21 0.00 0.00 178.00 180.95 1su0 n THR 39 N -4.49 0.00 0.01 -1.15 -1.04 -1.26 -4.98 114.28 101.36 1su0 n THR 39 Ca 0.12 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.14 1su0 n THR 39 Cb 0.08 0.00 0.35 0.00 -1.82 0.00 0.00 70.33 68.94 1su0 n THR 39 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1su0 n GLY 41 N -1.08 1.73 3.88 0.00 0.00 -1.26 -4.95 105.19 103.51 1su0 n GLY 41 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1su0 n GLY 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1su0 s ASP 42 N -2.00 6.55 -0.04 1.61 -0.00 -1.25 -4.59 116.67 116.95 1su0 s ASP 42 Ca 0.00 0.97 -0.14 0.00 -0.00 0.00 0.00 52.55 53.38 1su0 s ASP 42 Cb 0.00 -2.25 0.02 0.00 -0.00 0.00 0.00 42.92 40.69 1su0 s ASP 42 CO 0.00 -0.24 0.31 0.68 -0.00 0.00 0.00 175.17 175.92 1su0 s VAL 43 N -2.12 0.05 -0.12 -1.27 -7.23 -0.40 0.26 120.40 109.57 1su0 s VAL 43 Ca 0.48 -0.37 -0.11 0.00 -1.81 0.00 0.00 61.98 60.17 1su0 s VAL 43 Cb -0.11 -0.58 0.03 0.00 0.56 0.00 0.00 36.38 36.29 1su0 s VAL 43 CO 0.27 -0.21 0.31 -0.51 -0.31 0.00 0.00 175.10 174.66 1su0 s ILE 44 N -0.99 -0.00 -0.26 -0.62 2.07 -0.84 -1.92 121.20 118.64 1su0 s ILE 44 Ca -0.11 0.01 -0.02 0.00 -1.41 0.00 0.00 60.65 59.12 1su0 s ILE 44 Cb -0.05 -0.44 0.03 0.00 0.13 0.00 0.00 42.46 42.13 1su0 s ILE 44 CO 0.03 0.00 -0.05 -0.55 -1.91 0.00 0.00 174.94 172.47 1su0 s SER 45 N 0.24 4.41 -0.37 4.50 0.15 0.71 -2.64 113.70 120.70 1su0 s SER 45 Ca -0.01 -0.90 0.03 0.00 0.70 0.00 0.00 55.95 55.77 1su0 s SER 45 Cb -0.03 -1.68 0.11 0.00 -1.71 0.00 0.00 66.02 62.71 1su0 s SER 45 CO -0.00 -0.14 0.11 -0.22 1.20 0.00 0.00 173.24 174.18 1su0 s LEU 46 N 1.33 4.83 -0.07 3.45 0.20 -0.05 -1.71 118.68 126.66 1su0 s LEU 46 Ca -0.00 -2.23 -0.29 0.00 0.69 0.00 0.00 54.13 52.30 1su0 s LEU 46 Cb -0.17 -1.67 -0.02 0.00 -0.43 0.00 0.00 46.19 43.90 1su0 s LEU 46 CO -0.04 -0.40 0.97 0.42 -0.29 0.00 0.00 176.35 177.02 1su0 s THR 47 N 0.82 4.83 -0.07 3.68 -4.23 -0.55 -1.59 115.64 118.52 1su0 s THR 47 Ca 0.11 2.00 0.03 0.00 -1.18 0.00 0.00 61.69 62.66 1su0 s THR 47 Cb -0.20 -4.30 0.01 0.00 1.34 0.00 0.00 72.50 69.35 1su0 s THR 47 CO -0.06 0.08 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.23 1su0 s VAL 48 N 1.57 1.48 -0.16 2.29 1.01 -1.26 -1.90 120.40 123.42 1su0 s VAL 48 Ca 0.49 -0.69 -0.08 0.00 0.00 0.00 0.00 61.98 61.70 1su0 s VAL 48 Cb -0.19 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 1su0 s VAL 48 CO 0.22 0.43 0.10 -0.75 0.00 0.00 0.00 175.10 175.10 1su0 s LYS 49 N 0.43 3.81 -0.09 2.72 2.20 0.77 -4.94 119.74 124.65 1su0 s LYS 49 Ca -0.14 -0.24 0.04 0.00 -0.36 0.00 0.00 55.97 55.27 1su0 s LYS 49 Cb -0.16 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 32.92 1su0 s LYS 49 CO 0.05 0.47 -0.23 -0.06 -0.36 0.00 0.00 175.35 175.22 1su0 s PHE 50 N -0.15 2.39 -0.26 4.03 0.40 -1.26 -1.28 117.98 121.85 1su0 s PHE 50 Ca 0.09 -0.94 -0.06 0.00 -0.60 0.00 0.00 56.93 55.42 1su0 s PHE 50 Cb -0.12 -1.61 -0.15 0.00 0.51 0.00 0.00 43.02 41.65 1su0 s PHE 50 CO 0.01 -0.37 -0.24 -0.40 0.70 0.00 0.00 175.22 174.92 1su0 n ASP 51 N 3.48 1.97 0.00 1.36 5.68 -1.22 -4.82 116.55 123.00 1su0 n ASP 51 Ca -0.19 0.10 0.00 0.00 -0.50 0.00 0.00 54.79 54.20 1su0 n ASP 51 Cb 0.53 -0.63 0.00 0.00 -1.14 0.00 0.00 41.12 39.88 1su0 n ASP 51 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1su0 n GLU 52 N -3.73 3.48 0.23 0.11 4.07 -1.26 -4.95 120.64 118.58 1su0 n GLU 52 Ca -0.49 0.00 0.15 0.00 -0.06 0.00 0.00 57.16 56.77 1su0 n GLU 52 Cb 0.94 0.00 0.60 0.00 -0.06 0.00 0.00 31.44 32.91 1su0 n GLU 52 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 1su0 h ASP 53 N 0.00 0.00 -4.29 4.31 -0.00 -1.97 -3.46 116.42 111.01 1su0 h ASP 53 Ca 0.00 0.00 -0.46 0.00 -0.00 0.00 0.00 57.03 56.57 1su0 h ASP 53 Cb 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 39.33 39.46 1su0 h ASP 53 CO 0.00 0.00 0.37 -1.59 -0.00 0.00 0.00 179.24 178.02 1su0 s LYS 54 N -3.53 1.19 -0.51 0.28 -2.85 -1.26 -3.63 119.74 109.43 1su0 s LYS 54 Ca 0.03 -0.00 -0.17 0.00 -1.00 0.00 0.00 55.97 54.82 1su0 s LYS 54 Cb 0.09 -1.87 0.09 0.00 -2.06 0.00 0.00 37.83 34.07 1su0 s LYS 54 CO 0.51 -2.11 0.52 0.42 0.10 0.00 0.00 175.35 174.79 1su0 s ILE 55 N -3.56 5.08 0.08 3.79 1.01 -1.26 -3.40 121.20 122.93 1su0 s ILE 55 Ca 0.66 -1.01 -0.35 0.00 0.00 0.00 0.00 60.65 59.96 1su0 s ILE 55 Cb -0.10 -4.27 -0.18 0.00 0.01 0.00 0.00 42.46 37.92 1su0 s ILE 55 CO 0.52 -0.78 1.59 -0.08 0.00 0.00 0.00 174.94 176.18 1su0 h GLU 56 N 8.91 -1.01 -3.69 2.79 4.22 -1.51 -0.53 114.58 123.76 1su0 h GLU 56 Ca -0.29 0.07 -0.08 0.00 0.08 0.00 0.00 59.36 59.15 1su0 h GLU 56 Cb 1.10 0.23 -0.12 0.00 0.50 0.00 0.00 28.75 30.46 1su0 h GLU 56 CO 0.97 -0.67 -0.23 0.34 -2.18 0.00 0.00 179.01 177.23 1su0 s ASP 57 N -4.30 -0.04 -0.04 1.04 3.68 -1.15 -4.71 116.67 111.15 1su0 s ASP 57 Ca -0.18 -0.67 -0.17 0.00 2.13 0.00 0.00 52.55 53.65 1su0 s ASP 57 Cb 0.04 0.45 0.03 0.00 -1.45 0.00 0.00 42.92 41.99 1su0 s ASP 57 CO 0.61 -0.88 0.38 -0.51 0.13 0.00 0.00 175.17 174.90 1su0 s ILE 58 N -3.90 0.04 -0.06 4.11 2.07 -1.26 -0.16 121.20 122.03 1su0 s ILE 58 Ca 0.11 -0.33 -0.26 0.00 -1.41 0.00 0.00 60.65 58.76 1su0 s ILE 58 Cb 0.03 -0.66 0.06 0.00 0.13 0.00 0.00 42.46 42.01 1su0 s ILE 58 CO -0.05 -0.18 0.58 0.00 -1.91 0.00 0.00 174.94 173.38 1su0 s ALA 59 N -1.05 -1.49 0.06 1.50 0.00 -0.80 -4.79 121.76 115.19 1su0 s ALA 59 Ca -0.11 1.12 -0.08 0.00 0.00 0.00 0.00 51.96 52.89 1su0 s ALA 59 Cb -0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 23.12 22.97 1su0 s ALA 59 CO 0.04 -0.33 0.16 -0.59 0.00 0.00 0.00 175.76 175.04 1su0 s PHE 60 N -1.04 0.16 -0.00 0.00 -0.12 -0.16 -1.49 117.98 115.32 1su0 s PHE 60 Ca -0.10 -0.50 -0.21 0.00 -0.05 0.00 0.00 56.93 56.07 1su0 s PHE 60 Cb -0.02 -0.09 0.04 0.00 -0.63 0.00 0.00 43.02 42.32 1su0 s PHE 60 CO 0.07 -0.46 0.46 0.00 -0.05 0.00 0.00 175.22 175.25 1su0 s ALA 61 N -3.19 -1.17 0.00 1.99 0.00 -0.69 -0.66 121.76 118.03 1su0 s ALA 61 Ca -0.00 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.58 1su0 s ALA 61 Cb 0.02 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.30 1su0 s ALA 61 CO -0.07 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.73 1su0 n GLY 62 N 0.87 -0.67 3.59 0.00 0.00 -1.26 -0.21 105.19 107.52 1su0 n GLY 62 Ca -0.20 -0.36 -0.00 0.00 0.00 0.00 0.00 46.02 45.46 1su0 n GLY 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1su0 s ASN 63 N -4.00 -1.12 0.36 1.61 2.47 -0.81 -4.96 114.94 108.49 1su0 s ASN 63 Ca 0.00 1.45 -0.17 0.00 0.42 0.00 0.00 52.86 54.56 1su0 s ASN 63 Cb 0.00 2.24 0.05 0.00 -1.45 0.00 0.00 41.25 42.09 1su0 s ASN 63 CO 0.00 -0.21 0.77 -0.83 -3.72 0.00 0.00 177.10 173.10 1su0 s GLY 64 N 2.86 0.27 1.06 1.21 0.00 -1.26 -1.27 107.32 110.18 1su0 s GLY 64 Ca -0.04 -0.65 -0.15 0.00 0.00 0.00 0.00 44.72 43.88 1su0 s GLY 64 CO -0.19 -0.27 0.40 0.00 0.00 0.00 0.00 173.10 173.04 1su0 h THR 66 N -2.00 0.66 -0.49 0.00 2.02 -2.00 -2.26 112.91 108.84 1su0 h THR 66 Ca -0.51 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 66.60 1su0 h THR 66 Cb 1.32 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 1su0 h THR 66 CO 0.39 0.04 0.31 0.40 0.37 0.00 0.00 175.52 177.04 1su0 h ILE 67 N 0.24 1.09 -0.14 3.11 1.08 -1.96 -1.27 117.51 119.66 1su0 h ILE 67 Ca 0.29 -0.22 -0.21 0.00 -0.39 0.00 0.00 64.86 64.34 1su0 h ILE 67 Cb 0.43 0.41 0.01 0.00 -3.07 0.00 0.00 36.82 34.59 1su0 h ILE 67 CO -0.39 0.12 -0.76 -1.28 -0.69 0.00 0.00 178.15 175.15 1su0 h SER 68 N 0.63 0.82 0.06 1.72 0.87 -1.67 -0.89 113.55 115.10 1su0 h SER 68 Ca 0.19 -0.53 -0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1su0 h SER 68 Cb -0.03 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.69 1su0 h SER 68 CO -0.06 1.32 -0.03 0.74 -0.53 0.00 0.00 176.83 178.27 1su0 h THR 69 N 0.47 1.19 -0.50 2.23 2.02 -1.38 -2.06 112.91 114.89 1su0 h THR 69 Ca -0.05 -0.86 0.10 0.00 0.77 0.00 0.00 66.41 66.37 1su0 h THR 69 Cb 1.37 1.75 -0.10 0.00 -1.74 0.00 0.00 68.15 69.43 1su0 h THR 69 CO 0.15 0.21 -0.25 0.00 0.37 0.00 0.00 175.52 176.00 1su0 h ALA 70 N 0.44 0.07 -0.39 6.16 0.00 -1.20 -0.79 119.26 123.55 1su0 h ALA 70 Ca -0.01 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1su0 h ALA 70 Cb 0.41 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1su0 h ALA 70 CO 0.01 -0.60 0.05 1.03 0.00 0.00 0.00 179.25 179.74 1su0 h SER 71 N -0.14 0.56 -0.31 0.00 0.87 -1.10 -0.29 113.55 113.14 1su0 h SER 71 Ca 0.23 -0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 1su0 h SER 71 Cb 0.50 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 1su0 h SER 71 CO -0.58 0.60 0.02 0.28 -0.53 0.00 0.00 176.83 176.62 1su0 h SER 72 N 0.58 0.52 -0.21 6.23 0.02 -0.74 -0.63 113.55 119.33 1su0 h SER 72 Ca 0.13 -0.29 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 1su0 h SER 72 Cb 0.30 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1su0 h SER 72 CO 0.01 0.68 0.10 -1.28 -1.14 0.00 0.00 176.83 175.19 1su0 h SER 73 N 0.34 0.27 -0.38 3.07 0.87 -0.28 -2.41 113.55 115.04 1su0 h SER 73 Ca 0.09 -0.13 -0.08 0.00 -1.23 0.00 0.00 61.79 60.44 1su0 h SER 73 Cb 0.41 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 1su0 h SER 73 CO 0.01 0.33 -0.02 0.24 -0.53 0.00 0.00 176.83 176.86 1su0 h MET 74 N 0.20 0.78 -0.71 2.24 2.07 -1.07 -2.64 114.93 115.80 1su0 h MET 74 Ca 0.07 -0.22 0.09 0.00 -2.07 0.00 0.00 59.70 57.57 1su0 h MET 74 Cb 0.13 -0.09 -0.07 0.00 -1.87 0.00 0.00 31.60 29.71 1su0 h MET 74 CO -0.01 0.80 0.36 1.98 1.07 0.00 0.00 176.91 181.11 1su0 h MET 75 N 0.72 0.60 -0.67 1.72 -1.53 -0.76 -1.97 114.93 113.04 1su0 h MET 75 Ca 0.14 -0.04 -0.02 0.00 -3.44 0.00 0.00 59.70 56.34 1su0 h MET 75 Cb 0.48 -0.13 -0.03 0.00 -0.55 0.00 0.00 31.60 31.36 1su0 h MET 75 CO 0.02 0.40 0.33 1.79 0.14 0.00 0.00 176.91 179.59 1su0 h THR 76 N 0.62 1.22 -0.88 -0.77 1.35 -1.07 -1.65 112.91 111.73 1su0 h THR 76 Ca 0.35 -0.62 -0.01 0.00 -0.55 0.00 0.00 66.41 65.58 1su0 h THR 76 Cb 0.35 0.40 -0.04 0.00 -1.73 0.00 0.00 68.15 67.13 1su0 h THR 76 CO -0.26 0.26 0.52 0.44 -0.25 0.00 0.00 175.52 176.23 1su0 h ASP 77 N 0.92 1.06 1.34 5.36 3.32 -1.35 -2.78 116.42 124.29 1su0 h ASP 77 Ca 0.23 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 1su0 h ASP 77 Cb 0.11 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1su0 h ASP 77 CO -0.03 0.82 -0.25 0.00 -1.72 0.00 0.00 179.24 178.06 1su0 h ALA 78 N 1.36 0.90 0.00 3.45 0.00 -0.56 -3.33 119.26 121.08 1su0 h ALA 78 Ca 0.31 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1su0 h ALA 78 Cb -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1su0 h ALA 78 CO -0.06 0.31 -0.79 1.33 0.00 0.00 0.00 179.25 180.04 1su0 n VAL 79 N -3.25 0.00 -1.70 0.00 0.24 -0.90 -4.97 118.33 107.75 1su0 n VAL 79 Ca 0.02 -0.26 -0.42 0.00 -2.04 0.00 0.00 64.34 61.63 1su0 n VAL 79 Cb 0.54 0.73 -0.03 0.00 -1.47 0.00 0.00 33.84 33.61 1su0 n VAL 79 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 1su0 s ILE 80 N -2.13 3.09 0.00 1.34 -1.16 -1.06 -2.04 121.20 119.25 1su0 s ILE 80 Ca 0.01 0.11 0.00 0.00 -0.51 0.00 0.00 60.65 60.26 1su0 s ILE 80 Cb 0.06 -3.08 0.00 0.00 0.61 0.00 0.00 42.46 40.05 1su0 s ILE 80 CO 0.36 -0.03 0.00 0.61 -2.81 0.00 0.00 174.94 173.08 1su0 n GLY 81 N 4.84 0.95 0.00 1.50 0.00 -0.21 -4.97 105.19 107.30 1su0 n GLY 81 Ca 0.22 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1su0 n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1su0 n LYS 82 N -0.47 0.00 0.00 1.61 4.76 -0.87 -4.65 118.16 118.54 1su0 n LYS 82 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1su0 n LYS 82 Cb 0.46 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.65 1su0 n LYS 82 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1su0 n SER 83 N -0.56 0.00 -0.25 4.39 2.88 -1.26 -4.61 113.62 114.20 1su0 n SER 83 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 1su0 n SER 83 Cb 0.00 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.52 1su0 n SER 83 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1su0 n LYS 84 N -0.78 -0.12 0.08 -1.46 2.85 -1.24 -0.23 118.16 117.26 1su0 n LYS 84 Ca 0.00 1.05 -0.21 0.00 -1.05 0.00 0.00 58.31 58.10 1su0 n LYS 84 Cb 0.00 -1.57 -0.15 0.00 -0.65 0.00 0.00 35.03 32.67 1su0 n LYS 84 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1su0 h GLU 85 N 0.00 0.40 0.94 -1.58 5.08 -1.93 -1.98 114.58 115.50 1su0 h GLU 85 Ca 0.27 -0.64 -0.04 0.00 -1.00 0.00 0.00 59.36 57.95 1su0 h GLU 85 Cb 0.44 0.24 0.01 0.00 0.50 0.00 0.00 28.75 29.94 1su0 h GLU 85 CO -0.69 1.30 -0.48 0.93 -1.00 0.00 0.00 179.01 179.07 1su0 h GLU 86 N -0.17 -1.25 -0.82 2.33 5.08 -1.46 -0.24 114.58 118.04 1su0 h GLU 86 Ca -0.17 0.09 0.20 0.00 -1.00 0.00 0.00 59.36 58.48 1su0 h GLU 86 Cb 1.78 0.28 -0.14 0.00 0.50 0.00 0.00 28.75 31.18 1su0 h GLU 86 CO 0.19 -0.84 0.11 0.00 -1.00 0.00 0.00 179.01 177.48 1su0 h ALA 87 N -1.33 1.02 -0.02 3.43 0.00 -0.74 -0.21 119.26 121.42 1su0 h ALA 87 Ca -0.13 0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1su0 h ALA 87 Cb 1.01 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 1su0 h ALA 87 CO 0.19 -0.44 -0.34 -0.07 0.00 0.00 0.00 179.25 178.59 1su0 h LEU 88 N 0.15 0.04 -0.36 0.00 4.07 -1.03 -1.62 115.31 116.56 1su0 h LEU 88 Ca 0.48 -0.01 -0.15 0.00 0.08 0.00 0.00 57.88 58.28 1su0 h LEU 88 Cb 0.92 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.64 1su0 h LEU 88 CO -0.67 0.38 -0.38 0.00 -1.08 0.00 0.00 178.44 176.69 1su0 h ALA 89 N 1.63 0.54 -0.71 1.53 0.00 0.72 -2.32 119.26 120.64 1su0 h ALA 89 Ca 0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1su0 h ALA 89 Cb 0.62 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1su0 h ALA 89 CO 0.05 0.63 0.30 -0.07 0.00 0.00 0.00 179.25 180.16 1su0 h LEU 90 N 0.70 0.96 -0.46 0.00 3.38 -0.80 0.03 115.31 119.13 1su0 h LEU 90 Ca 0.06 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 57.91 1su0 h LEU 90 Cb 0.97 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 1su0 h LEU 90 CO 0.09 0.86 0.21 0.00 0.09 0.00 0.00 178.44 179.69 1su0 h ALA 91 N 1.14 0.57 -0.76 1.53 0.00 -1.26 0.33 119.26 120.80 1su0 h ALA 91 Ca 0.24 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1su0 h ALA 91 Cb 0.18 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1su0 h ALA 91 CO -0.02 -0.16 0.44 -0.44 0.00 0.00 0.00 179.25 179.06 1su0 h ASP 92 N 0.41 0.93 -0.64 0.00 3.45 -0.95 -1.08 116.42 118.54 1su0 h ASP 92 Ca 0.20 -0.08 -0.01 0.00 0.43 0.00 0.00 57.03 57.57 1su0 h ASP 92 Cb 0.15 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 38.65 1su0 h ASP 92 CO -0.17 0.74 0.34 0.40 -1.57 0.00 0.00 179.24 178.98 1su0 h ILE 93 N 1.04 1.21 0.33 0.35 2.04 0.46 -1.39 117.51 121.55 1su0 h ILE 93 Ca 0.27 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 1su0 h ILE 93 Cb -0.00 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1su0 h ILE 93 CO -0.05 0.23 -0.16 0.15 0.00 0.00 0.00 178.15 178.32 1su0 h PHE 94 N 0.87 -0.41 -0.91 1.37 3.57 -0.20 -0.96 116.94 120.27 1su0 h PHE 94 Ca 0.22 -0.01 0.21 0.00 3.53 0.00 0.00 57.97 61.93 1su0 h PHE 94 Cb 0.06 0.14 -0.12 0.00 2.79 0.00 0.00 35.95 38.81 1su0 h PHE 94 CO -0.01 -0.10 0.43 1.03 -2.23 0.00 0.00 178.31 177.44 1su0 h SER 95 N -0.74 0.42 0.39 0.41 0.87 -1.17 -0.57 113.55 113.16 1su0 h SER 95 Ca -0.05 0.14 -0.18 0.00 -1.23 0.00 0.00 61.79 60.48 1su0 h SER 95 Cb 0.50 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 1su0 h SER 95 CO 0.07 0.05 -0.75 -0.33 -0.53 0.00 0.00 176.83 175.34 1su0 h GLU 96 N 0.47 0.29 -0.53 2.24 5.08 -1.16 -3.21 114.58 117.76 1su0 h GLU 96 Ca 0.56 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.63 1su0 h GLU 96 Cb 1.03 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 1su0 h GLU 96 CO -0.49 0.92 0.18 1.98 -1.00 0.00 0.00 179.01 180.60 1su0 h MET 97 N 0.19 0.82 -0.34 2.33 4.05 0.22 -2.56 114.93 119.64 1su0 h MET 97 Ca -0.03 -0.17 0.00 0.00 -0.28 0.00 0.00 59.70 59.22 1su0 h MET 97 Cb 1.33 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 32.01 1su0 h MET 97 CO 0.12 0.74 0.00 1.33 0.23 0.00 0.00 176.91 179.33 1su0 n VAL 98 N -4.49 0.00 -1.25 -5.77 0.24 -0.36 -1.67 118.33 105.03 1su0 n VAL 98 Ca 0.02 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.41 1su0 n VAL 98 Cb 0.18 -0.20 0.15 0.00 -1.47 0.00 0.00 33.84 32.50 1su0 n VAL 98 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1su0 n GLN 99 N -0.29 1.27 -0.76 7.34 6.02 -1.00 -3.84 117.38 126.12 1su0 n GLN 99 Ca 0.00 -2.66 0.00 0.00 -0.01 0.00 0.00 57.00 54.33 1su0 n GLN 99 Cb 0.08 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 29.89 1su0 n GLN 99 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1su0 n GLY 100 N -1.28 0.60 3.75 1.08 0.00 -0.67 -5.05 105.19 103.62 1su0 n GLY 100 Ca 0.16 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 1su0 n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1su0 s GLN 101 N -0.55 4.75 -0.02 1.61 -0.21 -1.00 -5.04 119.66 119.20 1su0 s GLN 101 Ca 0.00 1.40 -0.20 0.00 0.02 0.00 0.00 55.36 56.58 1su0 s GLN 101 Cb 0.00 -3.31 -0.05 0.00 1.00 0.00 0.00 33.01 30.65 1su0 s GLN 101 CO 0.00 0.44 0.58 -1.21 -2.12 0.00 0.00 175.29 172.98 1su0 s GLU 102 N -0.80 4.31 -0.30 2.91 2.02 -1.26 -4.48 118.70 121.09 1su0 s GLU 102 Ca 0.42 0.70 -0.13 0.00 0.02 0.00 0.00 54.97 55.97 1su0 s GLU 102 Cb -0.25 -3.35 0.15 0.00 0.10 0.00 0.00 34.13 30.78 1su0 s GLU 102 CO 0.30 0.35 0.86 1.21 0.02 0.00 0.00 175.26 177.99 1su0 s ASN 103 N -0.10 -0.80 0.60 -0.19 3.04 -1.26 -5.03 114.94 111.20 1su0 s ASN 103 Ca 0.30 1.10 0.30 0.00 0.04 0.00 0.00 52.86 54.60 1su0 s ASN 103 Cb -0.18 1.91 1.64 0.00 -1.54 0.00 0.00 41.25 43.08 1su0 s ASN 103 CO 0.16 -0.15 2.03 -0.65 -3.04 0.00 0.00 177.10 175.45 1su0 h PRO 104 N 7.68 0.00 0.00 0.43 0.11 -2.04 -1.95 132.00 136.23 1su0 h PRO 104 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1su0 h PRO 104 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1su0 h PRO 104 CO 0.09 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.88 1su0 n ALA 105 N -2.26 1.44 0.31 -0.75 0.00 -1.26 -2.68 120.51 115.31 1su0 n ALA 105 Ca 0.03 0.01 0.20 0.00 0.00 0.00 0.00 53.44 53.68 1su0 n ALA 105 Cb 0.42 -1.21 0.95 0.00 0.00 0.00 0.00 19.45 19.60 1su0 n ALA 105 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1su0 h GLN 106 N 0.00 0.00 -0.52 0.00 4.20 -1.72 -1.08 115.11 115.99 1su0 h GLN 106 Ca 0.00 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.82 1su0 h GLN 106 Cb 0.18 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 1su0 h GLN 106 CO 0.00 0.00 0.35 0.87 -0.67 0.00 0.00 178.83 179.38 1su0 h LYS 107 N 0.00 0.22 0.00 1.46 1.57 -1.76 -2.30 116.57 115.76 1su0 h LYS 107 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1su0 h LYS 107 Cb 0.25 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1su0 h LYS 107 CO 0.00 0.15 0.00 0.39 -0.57 0.00 0.00 179.45 179.42 1su0 n GLU 108 N -4.45 0.51 0.04 3.15 -0.58 -0.41 -2.61 120.64 116.29 1su0 n GLU 108 Ca 0.09 0.04 0.12 0.00 -0.42 0.00 0.00 57.16 56.99 1su0 n GLU 108 Cb 0.42 -1.50 0.25 0.00 -0.57 0.00 0.00 31.44 30.05 1su0 n GLU 108 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1su0 n LEU 109 N -1.17 0.57 0.00 -4.62 4.32 -0.87 -4.96 117.00 110.27 1su0 n LEU 109 Ca 0.14 0.20 0.00 0.00 -0.02 0.00 0.00 56.01 56.33 1su0 n LEU 109 Cb 0.15 -0.24 0.00 0.00 -1.62 0.00 0.00 43.42 41.71 1su0 n LEU 109 CO 0.17 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.95 1su0 n GLY 110 N 1.41 2.65 0.24 -0.72 0.00 -1.07 -3.05 105.19 104.64 1su0 n GLY 110 Ca 0.04 -0.33 0.11 0.00 0.00 0.00 0.00 46.02 45.84 1su0 n GLY 110 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1su0 h GLU 111 N 0.00 0.00 -0.01 1.61 5.08 -1.92 -1.28 114.58 118.06 1su0 h GLU 111 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1su0 h GLU 111 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1su0 h GLU 111 CO 0.00 0.20 0.40 0.00 -1.00 0.00 0.00 179.01 178.60 1su0 h ALA 112 N 1.80 1.42 0.00 3.43 0.00 -1.81 -1.15 119.26 122.95 1su0 h ALA 112 Ca -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1su0 h ALA 112 Cb 0.60 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1su0 h ALA 112 CO 0.03 -0.40 -0.01 1.49 0.00 0.00 0.00 179.25 180.35 1su0 h GLU 113 N 0.00 0.00 0.00 0.00 4.81 -1.40 -1.56 114.58 116.43 1su0 h GLU 113 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1su0 h GLU 113 Cb 0.80 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1su0 h GLU 113 CO -0.00 0.01 0.00 1.28 -0.73 0.00 0.00 179.01 179.57 1su0 n LEU 114 N -3.37 0.38 -1.11 1.64 4.77 -0.43 -2.40 117.00 116.47 1su0 n LEU 114 Ca -0.03 0.61 0.08 0.00 -0.03 0.00 0.00 56.01 56.65 1su0 n LEU 114 Cb 0.11 -0.59 0.25 0.00 -2.33 0.00 0.00 43.42 40.87 1su0 n LEU 114 CO 0.24 -0.53 0.70 0.18 -1.33 0.00 0.00 177.39 176.66 1su0 n LEU 115 N -1.94 3.24 -0.25 2.23 4.77 -0.58 -4.22 117.00 120.25 1su0 n LEU 115 Ca 0.02 -1.63 0.26 0.00 -0.03 0.00 0.00 56.01 54.63 1su0 n LEU 115 Cb 0.15 -0.42 0.64 0.00 -2.33 0.00 0.00 43.42 41.46 1su0 n LEU 115 CO 0.14 0.67 1.26 0.00 -1.33 0.00 0.00 177.39 178.13 1su0 h ALA 116 N 3.87 2.62 0.00 -1.18 0.00 -1.66 -1.95 119.26 120.95 1su0 h ALA 116 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1su0 h ALA 116 Cb 0.92 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1su0 h ALA 116 CO 0.08 -0.93 0.00 0.41 0.00 0.00 0.00 179.25 178.81 1su0 n GLY 117 N -1.63 -0.83 0.10 0.00 0.00 -1.26 -2.77 105.19 98.80 1su0 n GLY 117 Ca 0.21 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.33 1su0 n GLY 117 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1su0 n VAL 118 N -1.48 0.56 0.32 1.61 0.24 -0.73 -2.64 118.33 116.22 1su0 n VAL 118 Ca 0.03 -0.23 0.20 0.00 -2.04 0.00 0.00 64.34 62.29 1su0 n VAL 118 Cb 0.12 -0.61 1.09 0.00 -1.47 0.00 0.00 33.84 32.96 1su0 n VAL 118 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1su0 h ALA 119 N 2.55 1.22 -0.00 2.33 0.00 -1.62 0.11 119.26 123.84 1su0 h ALA 119 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1su0 h ALA 119 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1su0 h ALA 119 CO 0.00 -0.04 -0.14 1.63 0.00 0.00 0.00 179.25 180.70 1su0 n LYS 120 N -3.32 0.27 -3.89 0.00 5.02 -1.08 -4.56 118.16 110.60 1su0 n LYS 120 Ca -0.03 -0.08 -0.30 0.00 -2.02 0.00 0.00 58.31 55.89 1su0 n LYS 120 Cb 0.11 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.48 1su0 n LYS 120 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1su0 s PHE 121 N -2.78 2.89 0.25 2.13 0.40 0.03 -5.01 117.98 115.88 1su0 s PHE 121 Ca 0.20 -2.85 -0.04 0.00 -0.60 0.00 0.00 56.93 53.65 1su0 s PHE 121 Cb 0.19 -2.53 0.49 0.00 0.51 0.00 0.00 43.02 41.69 1su0 s PHE 121 CO 0.54 -0.80 1.70 -1.35 0.70 0.00 0.00 175.22 176.01 1su0 h PRO 122 N 6.90 0.33 0.00 0.24 0.11 -1.80 0.13 132.00 137.92 1su0 h PRO 122 Ca -0.06 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 1su0 h PRO 122 Cb 0.94 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 1su0 h PRO 122 CO 0.59 0.22 -0.06 1.96 -0.21 0.00 0.00 178.00 180.50 1su0 h GLN 123 N 0.34 0.00 0.00 1.05 4.20 -1.95 -2.98 115.11 115.78 1su0 h GLN 123 Ca 0.43 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.14 1su0 h GLN 123 Cb 0.72 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.50 1su0 h GLN 123 CO -0.48 0.06 -0.61 0.00 -0.67 0.00 0.00 178.83 177.13 1su0 h ARG 124 N 0.00 0.00 -0.44 1.46 2.47 -1.04 -3.38 114.38 113.46 1su0 h ARG 124 Ca -0.00 0.00 0.08 0.00 -1.26 0.00 0.00 59.98 58.80 1su0 h ARG 124 Cb 0.26 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 28.48 1su0 h ARG 124 CO 0.01 0.01 -0.34 0.82 0.56 0.00 0.00 179.97 181.03 1su0 h ILE 125 N 0.00 0.21 0.00 2.04 1.08 -1.33 -1.00 117.51 118.51 1su0 h ILE 125 Ca -0.00 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.42 1su0 h ILE 125 Cb 1.02 0.21 -0.01 0.00 -3.07 0.00 0.00 36.82 34.97 1su0 h ILE 125 CO 0.00 0.00 -0.22 0.50 -0.69 0.00 0.00 178.15 177.74 1su0 h LYS 126 N -0.24 0.00 -0.15 2.37 1.63 -1.77 -1.31 116.57 117.11 1su0 h LYS 126 Ca 0.18 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 1su0 h LYS 126 Cb 0.54 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.17 1su0 h LYS 126 CO -0.57 0.22 0.09 0.00 -3.45 0.00 0.00 179.45 175.75 1su0 h SER 128 N 0.18 0.33 1.37 0.00 4.64 -0.68 -3.27 113.55 116.13 1su0 h SER 128 Ca 0.05 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1su0 h SER 128 Cb 0.00 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1su0 h SER 128 CO -0.01 0.86 -0.34 0.71 -0.87 0.00 0.00 176.83 177.18 1su0 h THR 129 N 0.22 0.00 -0.62 2.95 1.35 -1.27 -3.38 112.91 112.16 1su0 h THR 129 Ca -0.01 -0.71 0.12 0.00 -0.55 0.00 0.00 66.41 65.26 1su0 h THR 129 Cb 1.12 1.51 -0.12 0.00 -1.73 0.00 0.00 68.15 68.93 1su0 h THR 129 CO 0.10 0.00 -0.23 0.25 -0.25 0.00 0.00 175.52 175.39 1su0 h LEU 130 N 0.00 -0.81 -0.57 3.87 5.85 -1.56 -0.05 115.31 122.04 1su0 h LEU 130 Ca 0.00 0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1su0 h LEU 130 Cb 0.86 0.47 -0.03 0.00 0.37 0.00 0.00 40.66 42.33 1su0 h LEU 130 CO 0.00 -0.25 0.32 0.00 -0.34 0.00 0.00 178.44 178.17 1su0 h ALA 131 N 1.39 0.73 -0.88 1.25 0.00 -1.82 -1.66 119.26 118.28 1su0 h ALA 131 Ca 0.28 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1su0 h ALA 131 Cb 0.51 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1su0 h ALA 131 CO -0.67 0.24 0.58 -1.49 0.00 0.00 0.00 179.25 177.90 1su0 h TRP 132 N 0.77 1.07 0.00 0.00 4.06 -1.29 -0.89 115.95 119.68 1su0 h TRP 132 Ca 0.20 0.03 -0.12 0.00 2.06 0.00 0.00 58.89 61.06 1su0 h TRP 132 Cb 0.02 -0.36 -0.02 0.00 -1.00 0.00 0.00 29.16 27.81 1su0 h TRP 132 CO -0.02 0.64 -0.56 -0.91 -3.56 0.00 0.00 178.44 174.03 1su0 h ASN 133 N 1.12 0.00 0.94 -3.49 -0.26 -0.84 -0.74 115.58 112.31 1su0 h ASN 133 Ca 0.34 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 56.00 1su0 h ASN 133 Cb -0.03 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 1su0 h ASN 133 CO -0.09 0.56 -0.38 0.00 -1.06 0.00 0.00 177.43 176.46 1su0 h ALA 134 N 1.44 0.95 0.02 -0.83 0.00 -0.63 -2.46 119.26 117.75 1su0 h ALA 134 Ca -0.01 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1su0 h ALA 134 Cb 1.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1su0 h ALA 134 CO 0.07 0.47 -0.01 1.25 0.00 0.00 0.00 179.25 181.04 1su0 h LEU 135 N 0.00 -0.02 -0.86 0.00 5.85 -0.64 -2.42 115.31 117.22 1su0 h LEU 135 Ca -0.00 -0.57 0.19 0.00 0.84 0.00 0.00 57.88 58.34 1su0 h LEU 135 Cb 0.95 0.01 -0.12 0.00 0.37 0.00 0.00 40.66 41.87 1su0 h LEU 135 CO 0.05 0.57 0.37 0.11 -0.34 0.00 0.00 178.44 179.20 1su0 h LYS 136 N -0.63 0.42 -0.33 1.25 1.57 -0.99 -0.31 116.57 117.55 1su0 h LYS 136 Ca -0.00 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 1su0 h LYS 136 Cb 0.59 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1su0 h LYS 136 CO 0.00 0.28 -0.18 0.93 -0.57 0.00 0.00 179.45 179.91 1su0 h GLU 137 N 0.43 0.70 -0.47 3.15 3.07 -1.50 -2.48 114.58 117.48 1su0 h GLU 137 Ca 0.51 -0.31 0.02 0.00 -0.50 0.00 0.00 59.36 59.08 1su0 h GLU 137 Cb 0.91 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.78 1su0 h GLU 137 CO -0.49 0.92 0.28 0.00 -1.40 0.00 0.00 179.01 178.32 1su0 h ALA 138 N 0.77 0.60 0.08 3.43 0.00 -0.58 -2.17 119.26 121.40 1su0 h ALA 138 Ca 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1su0 h ALA 138 Cb 0.72 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1su0 h ALA 138 CO 0.05 -0.02 -0.04 0.82 0.00 0.00 0.00 179.25 180.06 1su0 h ILE 139 N 0.57 1.03 0.00 0.00 2.04 -1.26 -2.10 117.51 117.79 1su0 h ILE 139 Ca 0.19 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1su0 h ILE 139 Cb 0.01 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1su0 h ILE 139 CO -0.08 0.10 0.00 2.29 0.00 0.00 0.00 178.15 180.45 1su0 n LYS 140 N -5.06 0.44 -0.48 2.37 2.85 -0.93 -5.03 118.16 112.32 1su0 n LYS 140 Ca -0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.18 1su0 n LYS 140 Cb 0.14 -1.18 0.00 0.00 -0.65 0.00 0.00 35.03 33.34 1su0 n LYS 140 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89