#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3in0 s GLU 2 N 0.00 1.91 -0.23 0.00 2.12 -1.26 -2.79 118.70 118.45 3in0 s GLU 2 Ca 0.00 0.37 0.00 0.00 0.36 0.00 0.00 54.97 55.70 3in0 s GLU 2 Cb 0.00 -4.82 0.00 0.00 0.26 0.00 0.00 34.13 29.57 3in0 s GLU 2 CO 0.00 -4.03 0.00 0.00 -0.54 0.00 0.00 175.26 170.69 3in0 s SER 4 N -2.88 -0.13 0.10 0.00 1.04 -1.12 -2.09 113.70 108.61 3in0 s SER 4 Ca 0.00 0.03 0.06 0.00 0.48 0.00 0.00 55.95 56.52 3in0 s SER 4 Cb 0.00 0.13 -0.03 0.00 0.10 0.00 0.00 66.02 66.22 3in0 s SER 4 CO 0.00 -0.20 -0.15 0.54 0.98 0.00 0.00 173.24 174.41 3in0 s VAL 5 N -2.12 1.29 -0.30 5.02 0.11 -0.76 0.19 120.40 123.82 3in0 s VAL 5 Ca 0.09 -1.52 -0.12 0.00 -2.93 0.00 0.00 61.98 57.49 3in0 s VAL 5 Cb -0.01 -1.34 -0.04 0.00 -1.53 0.00 0.00 36.38 33.46 3in0 s VAL 5 CO -0.05 -0.29 0.24 -1.81 -3.33 0.00 0.00 175.10 169.87 3in0 s ASP 6 N -2.08 6.07 -0.00 3.54 1.01 -1.26 -2.38 116.67 121.57 3in0 s ASP 6 Ca 0.04 -0.11 0.07 0.00 0.71 0.00 0.00 52.55 53.26 3in0 s ASP 6 Cb -0.08 -2.14 -0.02 0.00 1.01 0.00 0.00 42.92 41.69 3in0 s ASP 6 CO 0.03 -0.14 -0.23 -0.51 0.21 0.00 0.00 175.17 174.53 3in0 s ILE 7 N 1.81 1.83 -0.23 0.77 2.07 -0.85 -5.00 121.20 121.60 3in0 s ILE 7 Ca 0.08 -1.05 -0.08 0.00 -1.41 0.00 0.00 60.65 58.19 3in0 s ILE 7 Cb -0.16 -1.53 -0.04 0.00 0.13 0.00 0.00 42.46 40.86 3in0 s ILE 7 CO 0.11 0.46 0.09 -1.10 -1.91 0.00 0.00 174.94 172.59 3in0 s GLN 8 N -0.69 3.85 -0.37 3.50 -0.21 -1.26 -1.12 119.66 123.36 3in0 s GLN 8 Ca 0.09 -0.39 -0.08 0.00 0.02 0.00 0.00 55.36 55.00 3in0 s GLN 8 Cb -0.09 -3.35 0.05 0.00 1.00 0.00 0.00 33.01 30.62 3in0 s GLN 8 CO -0.00 0.00 0.18 0.20 -2.12 0.00 0.00 175.29 173.54 3in0 s GLY 9 N 1.14 1.90 0.23 3.09 0.00 0.17 -2.20 107.32 111.66 3in0 s GLY 9 Ca 0.05 -1.90 0.04 0.00 0.00 0.00 0.00 44.72 42.91 3in0 s GLY 9 CO 0.04 0.86 0.31 1.16 0.00 0.00 0.00 173.10 175.47 3in0 n ASN 10 N 4.87 0.94 0.00 1.64 0.23 -1.02 -3.52 115.26 118.40 3in0 n ASN 10 Ca -0.11 -1.64 0.07 0.00 -0.53 0.00 0.00 54.58 52.37 3in0 n ASN 10 Cb 0.44 -0.16 0.36 0.00 -2.08 0.00 0.00 39.78 38.34 3in0 n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3in0 n ASP 11 N -2.65 0.00 -0.89 0.53 9.92 -1.25 -3.26 116.55 118.95 3in0 n ASP 11 Ca 0.06 -0.04 0.03 0.00 -0.53 0.00 0.00 54.79 54.31 3in0 n ASP 11 Cb 0.24 -0.21 0.22 0.00 -0.64 0.00 0.00 41.12 40.73 3in0 n ASP 11 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3in0 n GLN 12 N -1.21 2.17 -3.55 -1.24 3.00 -1.26 -4.96 117.38 110.33 3in0 n GLN 12 Ca 0.07 -2.98 -0.19 0.00 -0.01 0.00 0.00 57.00 53.90 3in0 n GLN 12 Cb 0.09 -1.78 0.07 0.00 0.00 0.00 0.00 30.24 28.62 3in0 n GLN 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 3in0 n MET 13 N -0.93 -5.90 -4.24 -1.09 2.81 -1.20 -5.00 117.12 101.57 3in0 n MET 13 Ca 0.26 0.75 -0.14 0.00 -1.81 0.00 0.00 57.70 56.76 3in0 n MET 13 Cb 0.91 -5.57 -0.10 0.00 -0.71 0.00 0.00 33.22 27.75 3in0 n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3in0 s GLN 14 N -5.63 1.02 -0.05 0.03 -0.21 -1.26 -4.25 119.66 109.31 3in0 s GLN 14 Ca 0.01 -1.40 0.03 0.00 0.02 0.00 0.00 55.36 54.02 3in0 s GLN 14 Cb -0.00 -0.61 -0.03 0.00 1.00 0.00 0.00 33.01 33.37 3in0 s GLN 14 CO 0.77 0.08 -0.13 -0.06 -2.12 0.00 0.00 175.29 173.82 3in0 s PHE 15 N -3.16 2.74 -0.40 0.91 0.08 -1.25 -2.44 117.98 114.47 3in0 s PHE 15 Ca 0.15 -0.14 0.03 0.00 0.12 0.00 0.00 56.93 57.09 3in0 s PHE 15 Cb 0.02 -1.64 0.31 0.00 -0.57 0.00 0.00 43.02 41.13 3in0 s PHE 15 CO 0.00 0.20 1.23 0.27 -0.10 0.00 0.00 175.22 176.83 3in0 n ASN 16 N 2.31 3.18 -3.64 1.36 6.94 -0.93 -4.75 115.26 119.73 3in0 n ASN 16 Ca -0.17 -2.55 -0.08 0.00 -0.02 0.00 0.00 54.58 51.75 3in0 n ASN 16 Cb 0.52 -0.62 -0.07 0.00 -2.36 0.00 0.00 39.78 37.26 3in0 n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3in0 s THR 17 N -1.54 0.00 -0.69 5.53 -1.32 -1.26 -4.96 115.64 111.40 3in0 s THR 17 Ca 0.23 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.85 3in0 s THR 17 Cb 0.19 -1.00 0.42 0.00 -1.51 0.00 0.00 72.50 70.60 3in0 s THR 17 CO 0.06 0.00 1.35 -0.46 -2.21 0.00 0.00 174.62 173.35 3in0 n ASN 18 N 3.32 3.43 -3.36 8.08 6.94 -1.26 -4.87 115.26 127.54 3in0 n ASN 18 Ca -0.17 -2.39 -0.13 0.00 -0.02 0.00 0.00 54.58 51.88 3in0 n ASN 18 Cb 0.57 -0.37 -0.08 0.00 -2.36 0.00 0.00 39.78 37.54 3in0 n ASN 18 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3in0 s ALA 19 N -1.71 -0.84 -0.21 -2.53 0.00 -1.26 -1.93 121.76 113.29 3in0 s ALA 19 Ca 0.32 0.16 -0.09 0.00 0.00 0.00 0.00 51.96 52.35 3in0 s ALA 19 Cb 0.22 -1.84 -0.05 0.00 0.00 0.00 0.00 23.12 21.44 3in0 s ALA 19 CO 0.14 -1.60 0.12 0.42 0.00 0.00 0.00 175.76 174.84 3in0 s ILE 20 N 2.46 5.21 -0.16 0.00 1.01 0.22 -4.99 121.20 124.95 3in0 s ILE 20 Ca 0.10 0.12 -0.06 0.00 0.00 0.00 0.00 60.65 60.81 3in0 s ILE 20 Cb -0.14 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 3in0 s ILE 20 CO -0.27 0.41 0.06 -0.89 0.00 0.00 0.00 174.94 174.25 3in0 s THR 21 N 0.62 4.78 -0.24 2.92 2.01 -1.26 0.75 115.64 125.23 3in0 s THR 21 Ca 0.07 -0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.03 3in0 s THR 21 Cb -0.12 -3.12 0.06 0.00 0.01 0.00 0.00 72.50 69.33 3in0 s THR 21 CO 0.01 0.51 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.70 3in0 s VAL 22 N -0.01 1.54 0.28 3.82 1.01 0.14 -4.92 120.40 122.26 3in0 s VAL 22 Ca 0.06 -1.24 -0.30 0.00 0.00 0.00 0.00 61.98 60.49 3in0 s VAL 22 Cb -0.12 -1.81 -0.12 0.00 0.00 0.00 0.00 36.38 34.33 3in0 s VAL 22 CO 0.01 -0.12 1.62 -0.67 0.00 0.00 0.00 175.10 175.94 3in0 n ASP 23 N 4.66 3.89 -0.26 3.32 2.03 -1.26 -2.73 116.55 126.21 3in0 n ASP 23 Ca -0.12 1.14 0.05 0.00 0.52 0.00 0.00 54.79 56.38 3in0 n ASP 23 Cb 0.44 -1.59 0.18 0.00 -0.72 0.00 0.00 41.12 39.42 3in0 n ASP 23 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3in0 h LYS 24 N 5.03 0.46 -1.37 -0.67 1.79 -1.87 -2.48 116.57 117.46 3in0 h LYS 24 Ca -0.47 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 3in0 h LYS 24 Cb 1.22 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 3in0 h LYS 24 CO 0.81 0.30 0.00 0.43 -1.08 0.00 0.00 179.45 179.92 3in0 n SER 25 N -4.98 1.63 -4.44 0.86 7.64 -1.26 -4.69 113.62 108.38 3in0 n SER 25 Ca 0.14 -1.14 -0.36 0.00 1.01 0.00 0.00 58.87 58.52 3in0 n SER 25 Cb 0.39 -0.29 -0.13 0.00 -1.01 0.00 0.00 64.21 63.18 3in0 n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3in0 h LYS 27 N 7.99 0.39 -5.20 0.00 1.63 -1.91 -3.40 116.57 116.07 3in0 h LYS 27 Ca -0.38 -0.28 -0.36 0.00 -0.85 0.00 0.00 60.65 58.78 3in0 h LYS 27 Cb 1.17 0.04 -0.16 0.00 -0.60 0.00 0.00 32.23 32.69 3in0 h LYS 27 CO 0.59 0.89 -0.73 -0.65 -3.45 0.00 0.00 179.45 176.10 3in0 s GLN 28 N -3.79 1.04 -0.06 1.90 -1.52 -1.26 -0.96 119.66 115.01 3in0 s GLN 28 Ca -0.06 -1.35 0.02 0.00 -1.95 0.00 0.00 55.36 52.02 3in0 s GLN 28 Cb 0.11 -0.74 0.02 0.00 -0.22 0.00 0.00 33.01 32.18 3in0 s GLN 28 CO 0.82 0.12 -0.10 0.12 -0.25 0.00 0.00 175.29 176.00 3in0 s PHE 29 N -2.78 1.22 -0.11 0.91 5.36 0.10 -4.77 117.98 117.91 3in0 s PHE 29 Ca 0.13 -0.43 -0.02 0.00 -0.96 0.00 0.00 56.93 55.65 3in0 s PHE 29 Cb -0.01 -0.93 -0.03 0.00 -0.34 0.00 0.00 43.02 41.71 3in0 s PHE 29 CO 0.02 -0.25 -0.03 0.99 -1.46 0.00 0.00 175.22 174.49 3in0 s THR 30 N 0.75 4.05 -0.12 0.12 2.01 -0.89 -1.26 115.64 120.30 3in0 s THR 30 Ca -0.13 -0.33 0.02 0.00 0.31 0.00 0.00 61.69 61.56 3in0 s THR 30 Cb -0.15 -2.73 0.01 0.00 0.01 0.00 0.00 72.50 69.65 3in0 s THR 30 CO 0.02 0.55 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.64 3in0 s VAL 31 N -0.34 1.72 -0.44 3.82 1.01 0.33 -1.83 120.40 124.67 3in0 s VAL 31 Ca 0.06 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 3in0 s VAL 31 Cb -0.12 -1.56 0.10 0.00 0.00 0.00 0.00 36.38 34.80 3in0 s VAL 31 CO 0.02 0.48 0.29 0.20 0.00 0.00 0.00 175.10 176.10 3in0 s ASN 32 N 0.97 5.64 0.16 3.32 0.01 -1.00 0.36 114.94 124.39 3in0 s ASN 32 Ca -0.06 -1.71 -0.25 0.00 -0.71 0.00 0.00 52.86 50.14 3in0 s ASN 32 Cb -0.15 -1.99 -0.08 0.00 0.41 0.00 0.00 41.25 39.45 3in0 s ASN 32 CO -0.03 -0.60 0.76 -0.22 -1.51 0.00 0.00 177.10 175.50 3in0 s LEU 33 N 1.38 4.58 0.01 0.60 2.96 -0.08 -2.00 118.68 126.14 3in0 s LEU 33 Ca 0.04 1.60 0.00 0.00 -0.22 0.00 0.00 54.13 55.56 3in0 s LEU 33 Cb -0.24 -3.28 -0.01 0.00 0.50 0.00 0.00 46.19 43.16 3in0 s LEU 33 CO 0.00 0.21 -0.02 -0.94 -1.32 0.00 0.00 176.35 174.28 3in0 s SER 34 N -1.17 0.22 -0.39 3.68 1.04 -0.27 -2.53 113.70 114.29 3in0 s SER 34 Ca 0.35 -0.28 0.02 0.00 0.48 0.00 0.00 55.95 56.52 3in0 s SER 34 Cb -0.22 0.04 0.11 0.00 0.10 0.00 0.00 66.02 66.05 3in0 s SER 34 CO 0.25 -0.15 0.15 -2.28 0.98 0.00 0.00 173.24 172.19 3in0 s HIS 35 N -0.79 2.57 0.62 5.02 2.46 -1.13 0.45 115.29 124.49 3in0 s HIS 35 Ca -0.08 -2.50 -0.10 0.00 0.47 0.00 0.00 55.06 52.86 3in0 s HIS 35 Cb -0.06 -2.27 -0.02 0.00 -0.13 0.00 0.00 32.58 30.11 3in0 s HIS 35 CO -0.00 -0.85 1.00 -1.25 -2.47 0.00 0.00 174.74 171.16 3in0 s PRO 36 N 0.78 3.28 0.00 2.88 0.04 -1.23 0.19 135.00 140.94 3in0 s PRO 36 Ca 0.13 0.48 0.00 0.00 0.04 0.00 0.00 61.00 61.65 3in0 s PRO 36 Cb -0.21 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.20 3in0 s PRO 36 CO -0.10 -0.67 0.00 0.41 0.04 0.00 0.00 177.00 176.69 3in0 n GLY 37 N -2.73 1.32 0.92 0.56 0.00 -1.26 -3.75 105.19 100.24 3in0 n GLY 37 Ca 0.05 -2.11 0.01 0.00 0.00 0.00 0.00 46.02 43.98 3in0 n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3in0 n ASN 38 N 0.00 2.13 -4.87 1.61 4.13 -1.26 -4.13 115.26 112.88 3in0 n ASN 38 Ca 0.00 -3.71 -0.37 0.00 1.68 0.00 0.00 54.58 52.18 3in0 n ASN 38 Cb 0.00 -0.48 -0.06 0.00 -1.54 0.00 0.00 39.78 37.70 3in0 n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3in0 s LEU 39 N -3.05 4.41 0.56 3.41 1.43 -1.26 -4.95 118.68 119.22 3in0 s LEU 39 Ca 0.39 0.63 -0.15 0.00 -1.03 0.00 0.00 54.13 53.97 3in0 s LEU 39 Cb 0.38 -2.36 -0.06 0.00 0.03 0.00 0.00 46.19 44.18 3in0 s LEU 39 CO -0.06 0.35 1.01 -2.84 0.23 0.00 0.00 176.35 175.04 3in0 s PRO 40 N -1.22 3.71 0.48 1.29 0.02 -1.26 -1.05 135.00 136.96 3in0 s PRO 40 Ca 0.20 0.97 0.25 0.00 0.02 0.00 0.00 61.00 62.45 3in0 s PRO 40 Cb -0.14 -2.10 1.30 0.00 0.02 0.00 0.00 34.50 33.58 3in0 s PRO 40 CO 0.10 -0.48 1.86 -0.22 -0.33 0.00 0.00 177.00 177.93 3in0 h LYS 41 N 0.52 0.19 -0.00 5.54 3.64 -1.85 0.65 116.57 125.26 3in0 h LYS 41 Ca -0.46 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3in0 h LYS 41 Cb 1.19 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 3in0 h LYS 41 CO 0.60 0.12 -0.09 -1.71 -2.27 0.00 0.00 179.45 176.11 3in0 n ASN 42 N -4.40 0.58 0.00 4.20 2.85 -1.26 -1.50 115.26 115.73 3in0 n ASN 42 Ca 0.20 -0.78 0.00 0.00 -0.11 0.00 0.00 54.58 53.89 3in0 n ASN 42 Cb 0.87 -0.04 0.00 0.00 1.24 0.00 0.00 39.78 41.85 3in0 n ASN 42 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 3in0 n VAL 43 N -0.78 0.00 -2.83 3.44 0.31 0.97 -4.90 118.33 114.54 3in0 n VAL 43 Ca 0.16 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.38 3in0 n VAL 43 Cb 0.27 -0.77 0.06 0.00 -0.91 0.00 0.00 33.84 32.49 3in0 n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 3in0 n MET 44 N -1.67 1.02 -3.38 5.55 0.00 0.19 -4.96 117.12 113.88 3in0 n MET 44 Ca 0.00 -2.27 -0.35 0.00 -0.00 0.00 0.00 57.70 55.08 3in0 n MET 44 Cb 0.39 -1.11 -0.06 0.00 0.00 0.00 0.00 33.22 32.44 3in0 n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3in0 s GLY 45 N -1.56 2.42 0.22 -5.12 0.00 -0.56 -4.62 107.32 98.09 3in0 s GLY 45 Ca 0.26 -0.17 0.07 0.00 0.00 0.00 0.00 44.72 44.89 3in0 s GLY 45 CO -0.06 0.08 -0.12 0.30 0.00 0.00 0.00 173.10 173.30 3in0 s HIS 46 N -1.54 1.77 0.35 1.90 3.76 -0.89 -4.74 115.29 115.90 3in0 s HIS 46 Ca 0.40 -0.61 0.05 0.00 -0.15 0.00 0.00 55.06 54.75 3in0 s HIS 46 Cb -0.14 -0.87 -0.03 0.00 1.11 0.00 0.00 32.58 32.65 3in0 s HIS 46 CO 0.19 0.33 0.21 0.54 -0.85 0.00 0.00 174.74 175.17 3in0 s ASN 47 N -3.35 1.97 -0.25 1.40 2.20 -1.26 -1.07 114.94 114.58 3in0 s ASN 47 Ca 0.24 -1.70 -0.00 0.00 -0.94 0.00 0.00 52.86 50.46 3in0 s ASN 47 Cb 0.00 0.52 0.07 0.00 -2.00 0.00 0.00 41.25 39.85 3in0 s ASN 47 CO 0.08 -1.00 0.02 0.86 -2.94 0.00 0.00 177.10 174.13 3in0 s TRP 48 N -3.42 1.94 -0.07 1.54 -0.00 -1.26 -4.27 118.94 113.41 3in0 s TRP 48 Ca 0.34 -1.61 0.04 0.00 -0.00 0.00 0.00 56.10 54.88 3in0 s TRP 48 Cb 0.03 -1.58 -0.02 0.00 -0.00 0.00 0.00 33.47 31.90 3in0 s TRP 48 CO 0.22 -0.77 -0.20 0.08 -0.00 0.00 0.00 176.95 176.27 3in0 s VAL 49 N 1.54 2.51 -0.08 5.86 1.01 -0.71 -0.89 120.40 129.64 3in0 s VAL 49 Ca 0.01 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.14 3in0 s VAL 49 Cb -0.18 -1.96 -0.00 0.00 0.00 0.00 0.00 36.38 34.24 3in0 s VAL 49 CO -0.12 0.57 -0.23 -0.22 0.00 0.00 0.00 175.10 175.09 3in0 s LEU 50 N -0.26 2.04 0.00 3.92 2.96 -0.64 -0.62 118.68 126.08 3in0 s LEU 50 Ca 0.00 -0.51 -0.08 0.00 -0.22 0.00 0.00 54.13 53.32 3in0 s LEU 50 Cb -0.13 -1.32 0.03 0.00 0.50 0.00 0.00 46.19 45.27 3in0 s LEU 50 CO 0.03 0.18 0.57 -1.54 -1.32 0.00 0.00 176.35 174.27 3in0 n SER 51 N 3.29 -1.63 -4.79 3.68 3.41 -0.73 -1.15 113.62 115.70 3in0 n SER 51 Ca -0.19 -2.49 -0.31 0.00 -0.26 0.00 0.00 58.87 55.62 3in0 n SER 51 Cb 0.53 2.82 0.07 0.00 -0.26 0.00 0.00 64.21 67.37 3in0 n SER 51 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3in0 s THR 52 N -2.47 3.64 0.34 6.66 -4.23 -1.26 0.53 115.64 118.85 3in0 s THR 52 Ca 0.19 0.53 0.19 0.00 -1.18 0.00 0.00 61.69 61.42 3in0 s THR 52 Cb -0.03 -3.14 0.17 0.00 1.34 0.00 0.00 72.50 70.84 3in0 s THR 52 CO 0.14 -0.69 1.89 0.00 -0.54 0.00 0.00 174.62 175.41 3in0 h ALA 53 N -0.95 1.29 -0.27 3.99 0.00 -1.40 -2.00 119.26 119.92 3in0 h ALA 53 Ca -0.44 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.08 3in0 h ALA 53 Cb 1.22 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3in0 h ALA 53 CO 0.54 0.35 -0.40 0.00 0.00 0.00 0.00 179.25 179.74 3in0 h ALA 54 N 1.72 0.79 -0.00 0.00 0.00 -1.92 -3.17 119.26 116.67 3in0 h ALA 54 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3in0 h ALA 54 Cb 0.59 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3in0 h ALA 54 CO 0.04 0.65 -0.30 -0.25 0.00 0.00 0.00 179.25 179.39 3in0 n ASP 55 N -4.03 0.32 -0.17 0.00 8.00 -0.98 -4.34 116.55 115.36 3in0 n ASP 55 Ca -0.02 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.47 3in0 n ASP 55 Cb 0.52 -0.03 0.08 0.00 -0.02 0.00 0.00 41.12 41.66 3in0 n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 3in0 h MET 56 N 0.03 0.23 -0.21 -1.24 1.85 -1.34 -2.12 114.93 112.13 3in0 h MET 56 Ca 0.00 -0.01 -0.15 0.00 -0.61 0.00 0.00 59.70 58.92 3in0 h MET 56 Cb 0.50 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.47 3in0 h MET 56 CO 0.00 0.15 -0.50 0.37 -0.40 0.00 0.00 176.91 176.53 3in0 h GLN 57 N 0.24 0.57 -0.29 0.39 5.75 -1.80 -0.39 115.11 119.59 3in0 h GLN 57 Ca 0.26 -0.34 0.00 0.00 -0.15 0.00 0.00 58.65 58.43 3in0 h GLN 57 Cb 0.37 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 3in0 h GLN 57 CO -0.35 0.94 0.18 0.78 -2.65 0.00 0.00 178.83 177.74 3in0 h GLY 58 N 1.05 0.41 1.45 2.39 0.00 -1.72 0.18 103.07 106.82 3in0 h GLY 58 Ca 0.02 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 3in0 h GLY 58 CO 0.10 0.16 0.12 -2.08 0.00 0.00 0.00 176.54 174.83 3in0 h VAL 59 N 0.37 1.20 -0.04 4.60 2.07 -1.18 0.60 116.25 123.87 3in0 h VAL 59 Ca 0.10 -0.71 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 3in0 h VAL 59 Cb -0.01 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3in0 h VAL 59 CO -0.02 0.26 -0.18 0.58 0.02 0.00 0.00 177.57 178.23 3in0 h VAL 60 N 0.68 1.47 -0.26 2.57 2.07 -0.71 -0.96 116.25 121.11 3in0 h VAL 60 Ca 0.15 -1.65 -0.09 0.00 0.82 0.00 0.00 66.70 65.93 3in0 h VAL 60 Cb 0.25 2.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 3in0 h VAL 60 CO -0.00 0.46 -0.23 0.74 0.02 0.00 0.00 177.57 178.55 3in0 h THR 61 N -0.38 1.26 0.09 2.57 2.02 -0.53 -0.14 112.91 117.80 3in0 h THR 61 Ca -0.01 -1.23 -0.26 0.00 0.77 0.00 0.00 66.41 65.68 3in0 h THR 61 Cb 0.83 1.31 0.01 0.00 -1.74 0.00 0.00 68.15 68.56 3in0 h THR 61 CO 0.04 0.39 -1.14 0.44 0.37 0.00 0.00 175.52 175.62 3in0 h ASP 62 N 0.44 0.48 -0.02 4.18 3.32 -0.96 -2.95 116.42 120.91 3in0 h ASP 62 Ca 0.07 -0.47 -0.06 0.00 0.02 0.00 0.00 57.03 56.59 3in0 h ASP 62 Cb 0.64 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3in0 h ASP 62 CO 0.05 1.32 -0.13 1.23 -1.72 0.00 0.00 179.24 179.99 3in0 h GLY 63 N 1.38 0.34 1.01 2.75 0.00 -0.92 -0.36 103.07 107.27 3in0 h GLY 63 Ca -0.12 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.00 3in0 h GLY 63 CO 0.19 0.20 0.62 1.98 0.00 0.00 0.00 176.54 179.53 3in0 h MET 64 N 0.30 1.28 -0.10 4.80 -1.53 -1.01 -3.19 114.93 115.47 3in0 h MET 64 Ca 0.06 -0.09 -0.15 0.00 -3.44 0.00 0.00 59.70 56.08 3in0 h MET 64 Cb 0.41 -0.28 0.01 0.00 -0.55 0.00 0.00 31.60 31.19 3in0 h MET 64 CO 0.02 0.86 -0.53 0.00 0.14 0.00 0.00 176.91 177.41 3in0 h ALA 65 N 1.34 0.20 -0.86 0.39 0.00 -0.94 -3.32 119.26 116.07 3in0 h ALA 65 Ca 0.35 -0.52 0.03 0.00 0.00 0.00 0.00 54.91 54.77 3in0 h ALA 65 Cb -0.12 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 3in0 h ALA 65 CO -0.07 0.41 0.57 0.77 0.00 0.00 0.00 179.25 180.92 3in0 h SER 66 N 0.14 0.95 -5.00 0.00 0.02 -1.22 -3.49 113.55 104.95 3in0 h SER 66 Ca -0.04 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3in0 h SER 66 Cb 1.18 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.49 3in0 h SER 66 CO 0.11 0.66 0.00 0.61 -1.14 0.00 0.00 176.83 177.07 3in0 n GLY 67 N -1.40 0.65 0.23 -3.77 0.00 -1.24 -4.56 105.19 95.09 3in0 n GLY 67 Ca 0.11 -2.16 -0.02 0.00 0.00 0.00 0.00 46.02 43.95 3in0 n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3in0 h LEU 68 N 0.00 0.38 -0.08 0.99 5.85 -1.92 0.13 115.31 120.65 3in0 h LEU 68 Ca 0.00 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3in0 h LEU 68 Cb 0.00 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.93 3in0 h LEU 68 CO 0.00 0.63 -0.01 -0.90 -0.34 0.00 0.00 178.44 177.81 3in0 n ASP 69 N -4.14 0.14 -0.40 1.25 5.68 -1.26 -2.15 116.55 115.67 3in0 n ASP 69 Ca -0.01 -0.68 0.06 0.00 -0.50 0.00 0.00 54.79 53.66 3in0 n ASP 69 Cb 0.38 -0.11 0.13 0.00 -1.14 0.00 0.00 41.12 40.39 3in0 n ASP 69 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3in0 n LYS 70 N -1.03 2.61 -1.42 0.11 5.02 -1.10 -4.96 118.16 117.38 3in0 n LYS 70 Ca 0.19 -2.17 -0.14 0.00 -2.02 0.00 0.00 58.31 54.17 3in0 n LYS 70 Cb 0.19 -1.36 -0.06 0.00 -0.02 0.00 0.00 35.03 33.77 3in0 n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3in0 n ASP 71 N -0.38 -5.50 -1.26 4.39 9.92 -0.91 -2.34 116.55 120.47 3in0 n ASP 71 Ca 0.11 0.36 -0.10 0.00 -0.53 0.00 0.00 54.79 54.63 3in0 n ASP 71 Cb 0.52 -4.27 0.00 0.00 -0.64 0.00 0.00 41.12 36.73 3in0 n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 3in0 n TYR 72 N -2.33 -0.63 -4.29 1.24 4.01 0.42 -4.72 117.16 110.86 3in0 n TYR 72 Ca -0.14 0.09 -0.19 0.00 -0.16 0.00 0.00 57.90 57.50 3in0 n TYR 72 Cb 0.60 -2.47 -0.13 0.00 -0.31 0.00 0.00 39.34 37.03 3in0 n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3in0 s LEU 73 N -2.99 2.17 0.19 7.72 1.43 -0.99 -3.96 118.68 122.26 3in0 s LEU 73 Ca 0.05 -0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 52.41 3in0 s LEU 73 Cb -0.02 -0.51 -0.08 0.00 0.03 0.00 0.00 46.19 45.61 3in0 s LEU 73 CO 0.06 -0.00 1.07 -0.75 0.23 0.00 0.00 176.35 176.96 3in0 s LYS 74 N -1.13 4.65 0.20 1.70 2.20 -1.26 -4.77 119.74 121.32 3in0 s LYS 74 Ca -0.00 1.68 -0.32 0.00 -0.36 0.00 0.00 55.97 56.96 3in0 s LYS 74 Cb -0.08 -3.27 -0.14 0.00 -1.51 0.00 0.00 37.83 32.83 3in0 s LYS 74 CO 0.01 0.17 1.35 -2.30 -0.36 0.00 0.00 175.35 174.22 3in0 n PRO 75 N 2.11 1.73 -4.13 4.03 -0.02 -1.26 -1.53 135.00 135.94 3in0 n PRO 75 Ca 0.01 0.62 -0.34 0.00 -2.02 0.00 0.00 63.50 61.77 3in0 n PRO 75 Cb 0.46 -2.24 -0.06 0.00 -0.02 0.00 0.00 33.50 31.64 3in0 n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3in0 n ASP 76 N 2.29 -1.91 -4.57 2.55 8.00 -1.26 -4.81 116.55 116.85 3in0 n ASP 76 Ca 0.14 -0.90 -0.39 0.00 0.71 0.00 0.00 54.79 54.35 3in0 n ASP 76 Cb 0.28 -1.66 -0.03 0.00 -0.02 0.00 0.00 41.12 39.69 3in0 n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3in0 s ASP 77 N -3.02 5.10 0.00 -2.24 -1.08 -0.58 -4.78 116.67 110.07 3in0 s ASP 77 Ca 0.67 1.05 0.10 0.00 -0.52 0.00 0.00 52.55 53.86 3in0 s ASP 77 Cb -0.39 -2.51 0.52 0.00 -1.46 0.00 0.00 42.92 39.07 3in0 s ASP 77 CO 0.82 -2.38 1.18 -1.54 0.52 0.00 0.00 175.17 173.77 3in0 n SER 78 N 13.32 0.00 0.14 -0.34 3.41 -1.26 -0.97 113.62 127.92 3in0 n SER 78 Ca 0.29 0.07 0.13 0.00 -0.26 0.00 0.00 58.87 59.09 3in0 n SER 78 Cb 0.51 -0.24 0.34 0.00 -0.26 0.00 0.00 64.21 64.56 3in0 n SER 78 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3in0 h ARG 79 N 0.00 0.00 -5.48 4.33 3.08 -1.97 -3.44 114.38 110.90 3in0 h ARG 79 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 3in0 h ARG 79 Cb 0.08 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 29.98 3in0 h ARG 79 CO 0.00 0.00 0.17 0.08 -1.07 0.00 0.00 179.97 179.15 3in0 s VAL 80 N -3.13 4.80 0.18 2.04 1.01 -0.14 -4.56 120.40 120.59 3in0 s VAL 80 Ca 0.10 0.18 0.19 0.00 0.00 0.00 0.00 61.98 62.45 3in0 s VAL 80 Cb 0.10 -4.23 0.15 0.00 0.00 0.00 0.00 36.38 32.41 3in0 s VAL 80 CO 0.62 -0.62 1.76 0.40 0.00 0.00 0.00 175.10 177.26 3in0 h ILE 81 N 5.89 0.84 0.00 2.22 2.04 -1.43 -3.46 117.51 123.62 3in0 h ILE 81 Ca -0.25 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.18 3in0 h ILE 81 Cb 1.09 1.88 0.00 0.00 -0.74 0.00 0.00 36.82 39.05 3in0 h ILE 81 CO 0.90 0.34 0.00 0.00 0.00 0.00 0.00 178.15 179.40 3in0 n ALA 82 N -2.29 0.00 -3.60 1.87 0.00 -1.25 -4.96 120.51 110.28 3in0 n ALA 82 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 3in0 n ALA 82 Cb 0.49 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.87 3in0 n ALA 82 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3in0 s HIS 83 N -2.00 -0.74 0.83 0.00 -3.43 -1.26 -1.62 115.29 107.08 3in0 s HIS 83 Ca 0.00 1.66 -0.12 0.00 -0.80 0.00 0.00 55.06 55.80 3in0 s HIS 83 Cb 0.00 0.32 0.09 0.00 -1.43 0.00 0.00 32.58 31.56 3in0 s HIS 83 CO 0.00 -0.44 1.17 0.95 -2.00 0.00 0.00 174.74 174.42 3in0 s THR 84 N -0.10 2.02 0.52 -5.38 -4.23 -0.07 -4.89 115.64 103.52 3in0 s THR 84 Ca -0.03 0.01 -0.01 0.00 -1.18 0.00 0.00 61.69 60.48 3in0 s THR 84 Cb -0.03 -2.95 0.02 0.00 1.34 0.00 0.00 72.50 70.87 3in0 s THR 84 CO 0.03 -0.01 0.77 -0.54 -0.54 0.00 0.00 174.62 174.33 3in0 s LYS 85 N -5.51 2.80 -0.01 3.99 1.02 -1.26 -4.32 119.74 116.45 3in0 s LYS 85 Ca 0.62 -0.49 -0.30 0.00 0.02 0.00 0.00 55.97 55.82 3in0 s LYS 85 Cb -0.12 -2.46 -0.04 0.00 -0.52 0.00 0.00 37.83 34.69 3in0 s LYS 85 CO 0.50 -0.56 1.14 -1.17 -0.92 0.00 0.00 175.35 174.34 3in0 s LEU 86 N -4.74 4.32 -0.02 3.17 2.96 -1.26 -4.55 118.68 118.55 3in0 s LEU 86 Ca 0.53 1.82 0.06 0.00 -0.22 0.00 0.00 54.13 56.32 3in0 s LEU 86 Cb -0.10 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.01 3in0 s LEU 86 CO 0.40 -0.48 -0.20 0.27 -1.32 0.00 0.00 176.35 175.02 3in0 s ILE 87 N 1.61 1.58 0.68 6.68 -4.36 -0.23 -4.94 121.20 122.23 3in0 s ILE 87 Ca 0.55 -0.84 0.00 0.00 -0.26 0.00 0.00 60.65 60.10 3in0 s ILE 87 Cb -0.25 -1.32 0.13 0.00 1.25 0.00 0.00 42.46 42.27 3in0 s ILE 87 CO 0.25 0.45 0.94 0.61 0.24 0.00 0.00 174.94 177.43 3in0 n GLY 88 N 2.71 0.74 3.68 6.27 0.00 -1.26 -2.09 105.19 115.23 3in0 n GLY 88 Ca -0.16 -2.04 -0.44 0.00 0.00 0.00 0.00 46.02 43.38 3in0 n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3in0 n SER 89 N -2.88 2.74 0.00 1.61 2.88 -0.21 -1.81 113.62 115.95 3in0 n SER 89 Ca 0.16 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.86 3in0 n SER 89 Cb 0.56 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 3in0 n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3in0 n GLY 90 N 1.70 2.90 3.92 0.46 0.00 0.49 -4.92 105.19 109.74 3in0 n GLY 90 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 3in0 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3in0 s GLU 91 N -0.06 1.89 0.01 1.61 2.02 -0.75 -4.88 118.70 118.54 3in0 s GLU 91 Ca 0.00 -0.12 -0.16 0.00 0.02 0.00 0.00 54.97 54.71 3in0 s GLU 91 Cb 0.00 -2.03 0.03 0.00 0.10 0.00 0.00 34.13 32.23 3in0 s GLU 91 CO 0.00 -1.56 0.36 -1.59 0.02 0.00 0.00 175.26 172.49 3in0 s LYS 92 N -5.48 0.80 -0.26 1.61 -2.85 -1.26 -2.86 119.74 109.43 3in0 s LYS 92 Ca 0.63 -0.29 -0.19 0.00 -1.00 0.00 0.00 55.97 55.12 3in0 s LYS 92 Cb -0.10 0.35 0.07 0.00 -2.06 0.00 0.00 37.83 36.10 3in0 s LYS 92 CO 0.48 -0.25 0.67 0.34 0.10 0.00 0.00 175.35 176.69 3in0 s ASP 93 N -1.70 -0.82 0.13 0.03 2.15 -1.05 -5.03 116.67 110.38 3in0 s ASP 93 Ca -0.09 1.41 0.09 0.00 0.43 0.00 0.00 52.55 54.39 3in0 s ASP 93 Cb -0.02 1.35 -0.04 0.00 -0.30 0.00 0.00 42.92 43.90 3in0 s ASP 93 CO 0.01 -0.24 -0.15 -0.44 -0.17 0.00 0.00 175.17 174.19 3in0 s SER 94 N 1.08 4.06 0.07 -0.34 0.01 -1.26 -0.90 113.70 116.42 3in0 s SER 94 Ca -0.06 -0.53 0.05 0.00 1.31 0.00 0.00 55.95 56.72 3in0 s SER 94 Cb -0.05 -0.64 -0.03 0.00 0.21 0.00 0.00 66.02 65.51 3in0 s SER 94 CO -0.11 0.16 -0.14 0.54 0.41 0.00 0.00 173.24 174.11 3in0 s VAL 95 N -1.29 1.10 -0.02 3.43 0.11 0.16 -4.90 120.40 118.99 3in0 s VAL 95 Ca 0.20 -1.29 0.03 0.00 -2.93 0.00 0.00 61.98 57.99 3in0 s VAL 95 Cb -0.10 -1.06 -0.00 0.00 -1.53 0.00 0.00 36.38 33.68 3in0 s VAL 95 CO 0.12 -0.22 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.68 3in0 s THR 96 N -1.25 0.88 0.17 5.04 2.01 -1.26 0.12 115.64 121.36 3in0 s THR 96 Ca -0.02 -0.44 -0.06 0.00 0.31 0.00 0.00 61.69 61.48 3in0 s THR 96 Cb -0.10 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.63 3in0 s THR 96 CO 0.02 0.26 0.23 0.72 -0.69 0.00 0.00 174.62 175.17 3in0 s PHE 97 N 0.02 0.61 -0.05 4.92 -0.71 -0.39 -4.92 117.98 117.45 3in0 s PHE 97 Ca -0.01 -0.95 -0.30 0.00 -1.04 0.00 0.00 56.93 54.63 3in0 s PHE 97 Cb -0.07 -0.19 -0.05 0.00 -1.21 0.00 0.00 43.02 41.49 3in0 s PHE 97 CO 0.00 -0.70 1.54 -0.51 -1.34 0.00 0.00 175.22 174.22 3in0 s ASP 98 N -3.02 6.74 0.28 1.98 1.01 -1.26 -0.72 116.67 121.68 3in0 s ASP 98 Ca 0.22 2.15 0.24 0.00 0.71 0.00 0.00 52.55 55.87 3in0 s ASP 98 Cb 0.04 -2.54 1.03 0.00 1.01 0.00 0.00 42.92 42.46 3in0 s ASP 98 CO 0.03 -0.86 1.72 0.52 0.21 0.00 0.00 175.17 176.80 3in0 n VAL 99 N 5.23 0.84 0.56 -1.27 0.31 -0.13 -1.86 118.33 122.00 3in0 n VAL 99 Ca 0.16 0.28 0.12 0.00 -0.01 0.00 0.00 64.34 64.90 3in0 n VAL 99 Cb 0.43 -1.23 0.45 0.00 -0.91 0.00 0.00 33.84 32.58 3in0 n VAL 99 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3in0 n SER 100 N -2.29 0.66 0.05 4.52 3.41 -1.26 -2.75 113.62 115.96 3in0 n SER 100 Ca 0.02 0.60 0.09 0.00 -0.26 0.00 0.00 58.87 59.32 3in0 n SER 100 Cb 0.21 -0.76 0.40 0.00 -0.26 0.00 0.00 64.21 63.80 3in0 n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3in0 n LYS 101 N -2.16 0.08 -3.09 4.33 4.76 -0.78 -4.34 118.16 116.96 3in0 n LYS 101 Ca 0.04 0.29 -0.45 0.00 -2.87 0.00 0.00 58.31 55.33 3in0 n LYS 101 Cb 0.33 -1.64 -0.04 0.00 -1.84 0.00 0.00 35.03 31.84 3in0 n LYS 101 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3in0 s LEU 102 N -3.58 5.48 0.17 -0.35 1.43 -1.11 -5.03 118.68 115.69 3in0 s LEU 102 Ca 0.07 -1.72 -0.30 0.00 -1.03 0.00 0.00 54.13 51.15 3in0 s LEU 102 Cb 0.10 -2.31 -0.08 0.00 0.03 0.00 0.00 46.19 43.93 3in0 s LEU 102 CO 0.34 -1.04 1.16 -0.75 0.23 0.00 0.00 176.35 176.29 3in0 s LYS 103 N 2.38 4.53 0.39 1.70 2.36 -1.26 -4.98 119.74 124.86 3in0 s LYS 103 Ca 0.17 1.80 -0.27 0.00 -2.55 0.00 0.00 55.97 55.12 3in0 s LYS 103 Cb -0.18 -3.27 -0.11 0.00 -1.05 0.00 0.00 37.83 33.23 3in0 s LYS 103 CO 0.01 -0.04 1.37 -1.91 1.55 0.00 0.00 175.35 176.34 3in0 n GLU 104 N 2.58 2.28 -0.82 4.03 4.07 -1.26 -2.58 120.64 128.94 3in0 n GLU 104 Ca 0.04 0.81 0.00 0.00 -0.06 0.00 0.00 57.16 57.95 3in0 n GLU 104 Cb 0.45 -2.50 0.00 0.00 -0.06 0.00 0.00 31.44 29.34 3in0 n GLU 104 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3in0 n GLY 105 N 0.64 0.54 3.57 8.31 0.00 -1.26 -5.05 105.19 111.95 3in0 n GLY 105 Ca 0.04 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.39 3in0 n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3in0 s GLU 106 N -0.85 2.06 -0.28 1.61 2.56 -1.07 -5.11 118.70 117.62 3in0 s GLU 106 Ca 0.00 -1.36 -0.14 0.00 0.00 0.00 0.00 54.97 53.47 3in0 s GLU 106 Cb 0.00 -2.11 -0.04 0.00 2.00 0.00 0.00 34.13 33.98 3in0 s GLU 106 CO 0.00 0.41 0.32 -0.65 -0.56 0.00 0.00 175.26 174.78 3in0 s GLN 107 N -3.10 3.93 -0.02 4.30 -0.21 -1.26 -5.00 119.66 118.29 3in0 s GLN 107 Ca 0.27 -0.12 0.04 0.00 0.02 0.00 0.00 55.36 55.56 3in0 s GLN 107 Cb -0.08 -3.68 -0.03 0.00 1.00 0.00 0.00 33.01 30.22 3in0 s GLN 107 CO 0.16 -0.29 -0.12 0.71 -2.12 0.00 0.00 175.29 173.63 3in0 s TYR 108 N 1.98 2.75 -0.06 0.91 2.02 -1.26 -1.04 117.35 122.65 3in0 s TYR 108 Ca 0.12 -0.12 0.02 0.00 -0.37 0.00 0.00 57.07 56.73 3in0 s TYR 108 Cb -0.16 -1.60 0.01 0.00 -0.40 0.00 0.00 41.96 39.81 3in0 s TYR 108 CO 0.10 0.27 -0.12 -1.64 -1.57 0.00 0.00 175.55 172.59 3in0 s MET 109 N -1.06 1.67 0.09 -0.62 -1.94 0.19 -1.66 119.30 115.98 3in0 s MET 109 Ca 0.14 -0.42 0.01 0.00 -1.71 0.00 0.00 55.69 53.71 3in0 s MET 109 Cb -0.11 -1.39 -0.04 0.00 2.01 0.00 0.00 34.83 35.30 3in0 s MET 109 CO 0.03 0.04 0.23 -0.59 -0.01 0.00 0.00 175.02 174.73 3in0 s PHE 110 N 0.60 3.49 0.03 -0.03 -0.12 0.12 -1.77 117.98 120.29 3in0 s PHE 110 Ca -0.13 0.19 -0.28 0.00 -0.05 0.00 0.00 56.93 56.66 3in0 s PHE 110 Cb -0.15 -1.72 0.10 0.00 -0.63 0.00 0.00 43.02 40.62 3in0 s PHE 110 CO 0.04 0.56 0.83 -0.59 -0.05 0.00 0.00 175.22 176.01 3in0 s PHE 111 N -1.59 -0.39 -0.13 3.49 -0.71 0.20 -0.84 117.98 118.01 3in0 s PHE 111 Ca 0.35 0.24 -0.19 0.00 -1.04 0.00 0.00 56.93 56.28 3in0 s PHE 111 Cb -0.12 0.54 -0.04 0.00 -1.21 0.00 0.00 43.02 42.19 3in0 s PHE 111 CO 0.28 -0.61 0.54 0.00 -1.34 0.00 0.00 175.22 174.09 3in0 n THR 113 N 3.93 0.00 -1.06 0.00 -2.24 -1.26 -2.90 114.28 110.75 3in0 n THR 113 Ca -0.05 -0.08 -0.34 0.00 -2.27 0.00 0.00 64.05 61.32 3in0 n THR 113 Cb 0.51 0.51 0.12 0.00 -2.10 0.00 0.00 70.33 69.37 3in0 n THR 113 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3in0 n PRO 114 N -1.03 0.10 -1.60 -0.78 -0.02 -1.26 -4.43 135.00 125.98 3in0 n PRO 114 Ca 0.08 0.10 -0.52 0.00 -2.02 0.00 0.00 63.50 61.15 3in0 n PRO 114 Cb 0.35 -2.31 -0.06 0.00 -0.02 0.00 0.00 33.50 31.47 3in0 n PRO 114 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3in0 n PRO 115 N -2.91 1.47 -0.33 0.52 -0.02 -1.26 -1.01 135.00 131.45 3in0 n PRO 115 Ca 0.12 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3in0 n PRO 115 Cb 0.51 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 3in0 n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3in0 n GLY 116 N 5.24 2.27 0.28 -1.23 0.00 -1.26 -4.91 105.19 105.57 3in0 n GLY 116 Ca 0.31 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.27 3in0 n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3in0 h HIS 117 N 0.00 0.89 0.00 1.61 3.86 -1.32 -2.95 115.15 117.23 3in0 h HIS 117 Ca 0.00 -0.16 -0.00 0.00 -1.16 0.00 0.00 60.37 59.05 3in0 h HIS 117 Cb 0.00 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.24 3in0 h HIS 117 CO 0.00 0.86 -0.01 0.66 0.86 0.00 0.00 177.93 180.30 3in0 h SER 118 N 0.74 0.00 0.03 2.45 4.64 -1.68 0.64 113.55 120.37 3in0 h SER 118 Ca 0.13 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3in0 h SER 118 Cb 0.57 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3in0 h SER 118 CO 0.03 0.01 -0.01 0.00 -0.87 0.00 0.00 176.83 175.99 3in0 h ALA 119 N 1.99 1.50 0.00 5.18 0.00 -1.85 -3.11 119.26 122.96 3in0 h ALA 119 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3in0 h ALA 119 Cb 0.16 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3in0 h ALA 119 CO 0.00 0.01 -1.12 1.28 0.00 0.00 0.00 179.25 179.42 3in0 n LEU 120 N -3.82 1.50 -4.36 0.00 4.32 -0.57 -4.89 117.00 109.17 3in0 n LEU 120 Ca -0.03 -0.01 -0.45 0.00 -0.02 0.00 0.00 56.01 55.50 3in0 n LEU 120 Cb 0.10 -0.02 -0.00 0.00 -1.62 0.00 0.00 43.42 41.87 3in0 n LEU 120 CO 0.28 0.29 0.79 -1.10 -1.22 0.00 0.00 177.39 176.43 3in0 s GLN 121 N -2.04 4.07 0.26 3.23 -0.21 0.21 -4.70 119.66 120.48 3in0 s GLN 121 Ca -0.02 -2.97 -0.13 0.00 0.02 0.00 0.00 55.36 52.25 3in0 s GLN 121 Cb 0.01 -4.60 -0.00 0.00 1.00 0.00 0.00 33.01 29.41 3in0 s GLN 121 CO 0.06 -1.32 0.51 -1.59 -2.12 0.00 0.00 175.29 170.82 3in0 s LYS 122 N -0.58 1.59 0.00 2.91 0.00 -1.24 -1.22 119.74 121.21 3in0 s LYS 122 Ca 0.30 -1.24 0.00 0.00 0.00 0.00 0.00 55.97 55.03 3in0 s LYS 122 Cb -0.09 0.49 0.00 0.00 0.00 0.00 0.00 37.83 38.23 3in0 s LYS 122 CO -0.07 -0.67 0.00 0.41 0.00 0.00 0.00 175.35 175.02 3in0 n GLY 123 N -0.40 -0.64 3.81 0.59 0.00 -0.02 -4.70 105.19 103.82 3in0 n GLY 123 Ca -0.02 -1.03 -0.37 0.00 0.00 0.00 0.00 46.02 44.61 3in0 n GLY 123 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3in0 s THR 124 N -2.00 5.38 -0.18 2.61 -4.23 -0.81 -0.70 115.64 115.71 3in0 s THR 124 Ca 0.00 0.35 -0.03 0.00 -1.18 0.00 0.00 61.69 60.84 3in0 s THR 124 Cb 0.00 -3.50 -0.01 0.00 1.34 0.00 0.00 72.50 70.32 3in0 s THR 124 CO 0.00 0.53 -0.07 -0.22 -0.54 0.00 0.00 174.62 174.32 3in0 s LEU 125 N -0.41 2.92 -0.13 4.79 0.20 -0.66 0.73 118.68 126.13 3in0 s LEU 125 Ca 0.15 -0.31 0.02 0.00 0.69 0.00 0.00 54.13 54.68 3in0 s LEU 125 Cb -0.13 -1.71 0.01 0.00 -0.43 0.00 0.00 46.19 43.94 3in0 s LEU 125 CO 0.04 0.08 -0.19 -0.89 -0.29 0.00 0.00 176.35 175.09 3in0 s THR 126 N 0.87 1.83 -1.47 3.68 2.01 0.23 -4.15 115.64 118.64 3in0 s THR 126 Ca -0.02 -0.85 -0.10 0.00 0.31 0.00 0.00 61.69 61.04 3in0 s THR 126 Cb -0.15 -1.64 0.02 0.00 0.01 0.00 0.00 72.50 70.75 3in0 s THR 126 CO 0.01 0.51 2.50 -0.11 -0.69 0.00 0.00 174.62 176.84 3in0 n LEU 127 N 4.09 7.83 0.00 4.42 0.00 -1.26 0.26 117.00 132.34 3in0 n LEU 127 Ca -0.20 -4.45 0.04 0.00 0.00 0.00 0.00 56.01 51.40 3in0 n LEU 127 Cb 0.51 -1.54 0.21 0.00 0.00 0.00 0.00 43.42 42.61 3in0 n LEU 127 CO 0.26 1.72 0.44 2.29 0.00 0.00 0.00 177.39 182.10