#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 3.72 -1.39 0.00 2.12 -1.26 -3.63 118.70 118.27 3in0 s GLU 2 Ca 0.00 0.87 -0.09 0.00 0.36 0.00 0.00 54.97 56.11 3in0 s GLU 2 Cb 0.00 -3.94 0.06 0.00 0.26 0.00 0.00 34.13 30.51 3in0 s GLU 2 CO 0.00 -1.38 0.59 0.00 -0.54 0.00 0.00 175.26 173.93 3in0 s SER 4 N -2.80 -0.60 -0.04 0.00 1.04 -1.24 -1.36 113.70 108.70 3in0 s SER 4 Ca 0.41 1.05 -0.00 0.00 0.48 0.00 0.00 55.95 57.90 3in0 s SER 4 Cb -0.21 1.05 0.03 0.00 0.10 0.00 0.00 66.02 66.99 3in0 s SER 4 CO 0.51 -0.29 -0.00 0.54 0.98 0.00 0.00 173.24 174.98 3in0 s VAL 5 N -0.05 0.23 -0.15 5.02 0.11 -0.03 0.15 120.40 125.68 3in0 s VAL 5 Ca -0.03 0.09 -0.11 0.00 -2.93 0.00 0.00 61.98 59.00 3in0 s VAL 5 Cb -0.04 -0.34 -0.05 0.00 -1.53 0.00 0.00 36.38 34.42 3in0 s VAL 5 CO 0.03 0.18 0.22 -1.81 -3.33 0.00 0.00 175.10 170.39 3in0 s ASP 6 N 1.27 6.38 0.02 3.54 1.01 -1.26 0.75 116.67 128.39 3in0 s ASP 6 Ca -0.06 0.45 0.04 0.00 0.71 0.00 0.00 52.55 53.68 3in0 s ASP 6 Cb -0.13 -2.14 -0.02 0.00 1.01 0.00 0.00 42.92 41.64 3in0 s ASP 6 CO -0.02 0.19 -0.12 -0.51 0.21 0.00 0.00 175.17 174.93 3in0 s ILE 7 N 0.06 0.91 -0.19 0.77 2.07 0.49 -4.92 121.20 120.39 3in0 s ILE 7 Ca 0.14 -0.78 -0.07 0.00 -1.41 0.00 0.00 60.65 58.52 3in0 s ILE 7 Cb -0.12 -0.82 -0.04 0.00 0.13 0.00 0.00 42.46 41.61 3in0 s ILE 7 CO 0.03 0.04 0.06 -1.10 -1.91 0.00 0.00 174.94 172.05 3in0 s GLN 8 N -0.84 3.91 -0.19 3.50 -0.21 -1.26 -0.97 119.66 123.60 3in0 s GLN 8 Ca 0.01 -0.38 0.01 0.00 0.02 0.00 0.00 55.36 55.02 3in0 s GLN 8 Cb -0.07 -3.20 0.02 0.00 1.00 0.00 0.00 33.01 30.76 3in0 s GLN 8 CO 0.01 0.21 -0.18 0.20 -2.12 0.00 0.00 175.29 173.41 3in0 s GLY 9 N 0.53 1.44 0.00 3.09 0.00 -0.46 -1.03 107.32 110.89 3in0 s GLY 9 Ca 0.03 -1.28 0.00 0.00 0.00 0.00 0.00 44.72 43.47 3in0 s GLY 9 CO 0.01 0.33 0.00 1.16 0.00 0.00 0.00 173.10 174.60 3in0 n ASN 10 N 4.61 0.36 -0.13 1.64 0.23 -0.34 -3.26 115.26 118.38 3in0 n ASN 10 Ca -0.20 0.00 -0.01 0.00 -0.53 0.00 0.00 54.58 53.84 3in0 n ASN 10 Cb 0.49 0.00 0.24 0.00 -2.08 0.00 0.00 39.78 38.43 3in0 n ASN 10 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3in0 h ASP 11 N 0.00 0.74 -0.80 0.53 5.19 -1.85 -3.16 116.42 117.07 3in0 h ASP 11 Ca 0.00 -0.09 -0.36 0.00 -0.62 0.00 0.00 57.03 55.96 3in0 h ASP 11 Cb 0.00 -0.19 -0.22 0.00 0.18 0.00 0.00 39.33 39.10 3in0 h ASP 11 CO 0.00 0.66 0.41 0.00 -3.12 0.00 0.00 179.24 177.18 3in0 n GLN 12 N -4.34 2.64 -3.18 3.56 3.00 -1.26 -4.89 117.38 112.91 3in0 n GLN 12 Ca 0.05 -3.06 -0.15 0.00 -0.01 0.00 0.00 57.00 53.83 3in0 n GLN 12 Cb 0.15 -2.12 0.07 0.00 0.00 0.00 0.00 30.24 28.33 3in0 n GLN 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 3in0 n MET 13 N -0.84 -5.45 -4.19 -1.09 0.00 -1.19 -5.01 117.12 99.35 3in0 n MET 13 Ca 0.49 0.65 -0.11 0.00 -0.00 0.00 0.00 57.70 58.72 3in0 n MET 13 Cb 1.47 -5.09 -0.10 0.00 0.00 0.00 0.00 33.22 29.50 3in0 n MET 13 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 175.97 177.11 3in0 s GLN 14 N -5.37 0.95 -0.11 2.12 -2.07 -1.26 -4.24 119.66 109.67 3in0 s GLN 14 Ca 0.15 -1.43 0.02 0.00 -1.82 0.00 0.00 55.36 52.29 3in0 s GLN 14 Cb -0.07 -0.11 -0.01 0.00 -1.09 0.00 0.00 33.01 31.73 3in0 s GLN 14 CO 0.56 -0.12 -0.19 -0.06 -1.32 0.00 0.00 175.29 174.16 3in0 s PHE 15 N -3.74 2.66 -1.13 9.60 0.08 -1.22 -1.20 117.98 123.03 3in0 s PHE 15 Ca 0.19 -0.81 0.00 0.00 0.12 0.00 0.00 56.93 56.43 3in0 s PHE 15 Cb 0.06 -1.75 0.00 0.00 -0.57 0.00 0.00 43.02 40.76 3in0 s PHE 15 CO -0.00 -0.29 0.31 0.27 -0.10 0.00 0.00 175.22 175.41 3in0 n ASN 16 N 3.42 0.48 -3.51 1.36 6.94 -0.20 -4.70 115.26 119.04 3in0 n ASN 16 Ca -0.18 -1.10 -0.14 0.00 -0.02 0.00 0.00 54.58 53.14 3in0 n ASN 16 Cb 0.53 -0.24 -0.05 0.00 -2.36 0.00 0.00 39.78 37.66 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 -1.13 0.00 0.00 5.53 -1.32 -1.26 -4.87 115.64 112.59 3in0 s THR 17 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 3in0 s THR 17 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 3in0 s THR 17 CO 0.00 0.00 0.12 -0.46 -2.21 0.00 0.00 174.62 172.07 3in0 n ASN 18 N 0.50 0.25 -3.72 8.08 2.04 -1.26 -4.98 115.26 116.17 3in0 n ASN 18 Ca -0.15 -0.62 -0.14 0.00 -0.44 0.00 0.00 54.58 53.23 3in0 n ASN 18 Cb 0.59 0.72 -0.14 0.00 -2.53 0.00 0.00 39.78 38.42 3in0 n ASN 18 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3in0 s ALA 19 N -0.72 -0.33 -0.08 -2.53 0.00 -1.26 -3.66 121.76 113.17 3in0 s ALA 19 Ca 0.00 0.75 -0.01 0.00 0.00 0.00 0.00 51.96 52.70 3in0 s ALA 19 Cb 0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 3in0 s ALA 19 CO 0.00 -0.29 -0.03 0.42 0.00 0.00 0.00 175.76 175.86 3in0 s ILE 20 N 1.53 4.00 -0.18 0.00 1.01 -0.64 -5.03 121.20 121.90 3in0 s ILE 20 Ca -0.06 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.24 3in0 s ILE 20 Cb -0.11 -2.67 0.03 0.00 0.01 0.00 0.00 42.46 39.72 3in0 s ILE 20 CO -0.07 0.59 -0.14 -0.89 0.00 0.00 0.00 174.94 174.44 3in0 s THR 21 N -0.72 1.71 -0.19 2.92 2.01 -1.26 -0.28 115.64 119.83 3in0 s THR 21 Ca 0.11 -0.86 -0.08 0.00 0.31 0.00 0.00 61.69 61.17 3in0 s THR 21 Cb -0.11 -1.66 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 3in0 s THR 21 CO 0.02 0.35 0.07 -0.69 -0.69 0.00 0.00 174.62 173.68 3in0 s VAL 22 N 1.40 4.79 0.04 3.82 1.01 -0.93 -4.92 120.40 125.61 3in0 s VAL 22 Ca 0.02 -0.03 -0.31 0.00 0.00 0.00 0.00 61.98 61.67 3in0 s VAL 22 Cb -0.14 -3.17 -0.06 0.00 0.00 0.00 0.00 36.38 33.01 3in0 s VAL 22 CO -0.10 0.44 1.38 -0.62 0.00 0.00 0.00 175.10 176.21 3in0 s ASP 23 N 0.50 6.86 0.00 3.32 -1.08 -1.26 0.10 116.67 125.11 3in0 s ASP 23 Ca 0.03 2.17 0.17 0.00 -0.52 0.00 0.00 52.55 54.41 3in0 s ASP 23 Cb -0.13 -2.57 0.72 0.00 -1.46 0.00 0.00 42.92 39.49 3in0 s ASP 23 CO 0.01 -0.68 1.53 0.29 0.52 0.00 0.00 175.17 176.84 3in0 n LYS 24 N 4.83 0.01 -0.13 4.34 5.02 -1.24 -1.79 118.16 129.21 3in0 n LYS 24 Ca 0.12 0.21 -0.12 0.00 -2.02 0.00 0.00 58.31 56.50 3in0 n LYS 24 Cb 0.43 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.93 3in0 n LYS 24 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 3in0 h SER 25 N 0.00 0.93 -1.04 4.39 0.02 -1.90 -3.43 113.55 112.52 3in0 h SER 25 Ca 0.00 -0.43 -0.62 0.00 -0.84 0.00 0.00 61.79 59.90 3in0 h SER 25 Cb 0.28 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 3in0 h SER 25 CO 0.00 1.16 1.49 0.00 -1.14 0.00 0.00 176.83 178.33 3in0 h LYS 27 N 13.35 0.00 -4.79 0.00 6.56 -1.85 -3.42 116.57 126.42 3in0 h LYS 27 Ca -0.24 0.00 -0.36 0.00 -1.06 0.00 0.00 60.65 58.99 3in0 h LYS 27 Cb 1.31 0.00 -0.25 0.00 -0.57 0.00 0.00 32.23 32.72 3in0 h LYS 27 CO 1.08 0.48 -0.77 -0.65 -2.06 0.00 0.00 179.45 177.53 3in0 s GLN 28 N -3.90 0.67 -0.05 3.15 1.11 -1.26 -0.77 119.66 118.61 3in0 s GLN 28 Ca -0.02 -0.56 0.03 0.00 0.01 0.00 0.00 55.36 54.82 3in0 s GLN 28 Cb 0.13 -0.60 0.01 0.00 -1.01 0.00 0.00 33.01 31.54 3in0 s GLN 28 CO 0.74 0.15 -0.13 0.12 0.01 0.00 0.00 175.29 176.18 3in0 s PHE 29 N -0.74 1.44 -0.04 0.91 5.36 -0.84 -4.81 117.98 119.26 3in0 s PHE 29 Ca -0.01 -0.48 0.03 0.00 -0.96 0.00 0.00 56.93 55.51 3in0 s PHE 29 Cb -0.06 -1.03 -0.03 0.00 -0.34 0.00 0.00 43.02 41.56 3in0 s PHE 29 CO 0.00 -0.22 -0.09 0.99 -1.46 0.00 0.00 175.22 174.44 3in0 s THR 30 N 0.44 3.46 -0.27 0.12 2.01 -0.46 -0.73 115.64 120.20 3in0 s THR 30 Ca -0.10 -0.67 0.03 0.00 0.31 0.00 0.00 61.69 61.26 3in0 s THR 30 Cb -0.14 -2.43 0.06 0.00 0.01 0.00 0.00 72.50 70.01 3in0 s THR 30 CO 0.03 0.53 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.71 3in0 s VAL 31 N -0.85 2.28 -0.31 3.82 1.01 0.50 -0.85 120.40 126.00 3in0 s VAL 31 Ca 0.14 -1.68 -0.14 0.00 0.00 0.00 0.00 61.98 60.30 3in0 s VAL 31 Cb -0.11 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 3in0 s VAL 31 CO 0.03 -0.09 0.33 0.20 0.00 0.00 0.00 175.10 175.57 3in0 s ASN 32 N 1.11 6.17 -0.07 3.32 0.01 0.23 -0.98 114.94 124.72 3in0 s ASN 32 Ca -0.07 -0.04 0.02 0.00 -0.71 0.00 0.00 52.86 52.07 3in0 s ASN 32 Cb -0.20 -2.18 -0.02 0.00 0.41 0.00 0.00 41.25 39.25 3in0 s ASN 32 CO -0.05 -0.23 -0.13 -0.22 -1.51 0.00 0.00 177.10 174.96 3in0 s LEU 33 N 1.98 2.80 0.05 0.60 2.96 0.16 0.18 118.68 127.41 3in0 s LEU 33 Ca 0.12 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 53.86 3in0 s LEU 33 Cb -0.16 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 3in0 s LEU 33 CO 0.11 0.31 -0.10 -0.94 -1.32 0.00 0.00 176.35 174.41 3in0 s SER 34 N -0.52 1.18 -0.56 3.68 1.04 -0.14 -0.34 113.70 118.03 3in0 s SER 34 Ca 0.07 -0.55 -0.02 0.00 0.48 0.00 0.00 55.95 55.93 3in0 s SER 34 Cb -0.12 -0.00 0.15 0.00 0.10 0.00 0.00 66.02 66.14 3in0 s SER 34 CO 0.02 -0.14 0.36 -2.28 0.98 0.00 0.00 173.24 172.18 3in0 s HIS 35 N -1.27 3.43 1.02 5.02 2.46 -0.95 -1.35 115.29 123.63 3in0 s HIS 35 Ca -0.06 -2.73 -0.17 0.00 0.47 0.00 0.00 55.06 52.57 3in0 s HIS 35 Cb -0.10 -3.15 0.22 0.00 -0.13 0.00 0.00 32.58 29.42 3in0 s HIS 35 CO 0.01 -0.86 1.28 -1.25 -2.47 0.00 0.00 174.74 171.45 3in0 s PRO 36 N 0.16 0.22 1.68 2.88 0.04 -1.20 0.15 135.00 138.92 3in0 s PRO 36 Ca 0.15 -0.34 0.00 0.00 0.04 0.00 0.00 61.00 60.85 3in0 s PRO 36 Cb -0.21 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.54 3in0 s PRO 36 CO -0.03 -2.71 0.00 0.41 0.04 0.00 0.00 177.00 174.71 3in0 n GLY 37 N -3.16 -1.14 3.76 0.56 0.00 -1.26 -4.38 105.19 99.57 3in0 n GLY 37 Ca 0.15 -1.04 -0.25 0.00 0.00 0.00 0.00 46.02 44.88 3in0 n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3in0 s ASN 38 N -4.48 5.27 0.00 1.61 -0.87 -1.26 -4.17 114.94 111.05 3in0 s ASN 38 Ca 0.00 -0.26 0.00 0.00 -1.57 0.00 0.00 52.86 51.03 3in0 s ASN 38 Cb 0.00 -1.29 0.00 0.00 -0.02 0.00 0.00 41.25 39.94 3in0 s ASN 38 CO 0.00 0.04 0.00 0.18 -2.57 0.00 0.00 177.10 174.75 3in0 n LEU 39 N -0.53 0.00 -4.64 0.60 4.77 -1.26 -4.74 117.00 111.19 3in0 n LEU 39 Ca -0.08 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.61 3in0 n LEU 39 Cb 0.56 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.83 3in0 n LEU 39 CO 0.42 0.00 0.62 -2.84 -1.33 0.00 0.00 177.39 174.26 3in0 s PRO 40 N -4.48 0.39 0.48 3.23 0.02 -1.26 -0.08 135.00 133.29 3in0 s PRO 40 Ca 0.00 0.75 0.32 0.00 0.02 0.00 0.00 61.00 62.09 3in0 s PRO 40 Cb 0.00 -1.71 1.49 0.00 0.02 0.00 0.00 34.50 34.30 3in0 s PRO 40 CO 0.00 -2.82 1.96 1.57 -0.33 0.00 0.00 177.00 177.39 3in0 h LYS 41 N -1.97 0.00 0.00 5.54 2.10 -1.83 0.12 116.57 120.53 3in0 h LYS 41 Ca -0.54 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.11 3in0 h LYS 41 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 3in0 h LYS 41 CO 0.54 0.00 -0.18 -2.95 -2.00 0.00 0.00 179.45 174.86 3in0 h ASN 42 N 0.00 0.00 0.00 7.07 -1.07 -1.94 -0.76 115.58 118.87 3in0 h ASN 42 Ca 0.00 -0.05 -0.22 0.00 0.07 0.00 0.00 56.30 56.10 3in0 h ASN 42 Cb 0.29 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.50 3in0 h ASN 42 CO 0.00 0.02 -1.84 0.52 0.07 0.00 0.00 177.43 176.21 3in0 n VAL 43 N -2.38 0.84 -2.75 6.14 0.31 -0.86 -4.85 118.33 114.78 3in0 n VAL 43 Ca 0.05 -0.44 -0.09 0.00 -0.01 0.00 0.00 64.34 63.84 3in0 n VAL 43 Cb 0.45 -0.82 0.09 0.00 -0.91 0.00 0.00 33.84 32.66 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 -2.63 1.04 -2.44 5.55 0.00 -0.03 -5.00 117.12 113.62 3in0 n MET 44 Ca -0.22 -1.98 -0.40 0.00 -0.00 0.00 0.00 57.70 55.09 3in0 n MET 44 Cb 0.85 -0.95 -0.04 0.00 0.00 0.00 0.00 33.22 33.08 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 -1.32 3.05 0.12 -5.12 0.00 -0.29 -4.68 107.32 99.07 3in0 s GLY 45 Ca 0.23 0.93 0.08 0.00 0.00 0.00 0.00 44.72 45.96 3in0 s GLY 45 CO -0.06 1.55 -0.21 0.30 0.00 0.00 0.00 173.10 174.69 3in0 s HIS 46 N -1.12 1.83 0.32 1.90 3.76 -1.08 -4.74 115.29 116.16 3in0 s HIS 46 Ca 0.45 -0.43 0.07 0.00 -0.15 0.00 0.00 55.06 55.00 3in0 s HIS 46 Cb -0.33 -0.98 -0.02 0.00 1.11 0.00 0.00 32.58 32.36 3in0 s HIS 46 CO 0.42 0.24 0.29 0.27 -0.85 0.00 0.00 174.74 175.11 3in0 n ASN 47 N 0.90 -0.73 -3.92 1.40 0.23 -1.26 -1.40 115.26 110.48 3in0 n ASN 47 Ca -0.18 -3.06 -0.27 0.00 -0.53 0.00 0.00 54.58 50.54 3in0 n ASN 47 Cb 0.54 1.67 -0.17 0.00 -2.08 0.00 0.00 39.78 39.74 3in0 n ASN 47 CO 0.00 0.00 0.00 0.86 -0.93 0.00 0.00 177.26 177.19 3in0 s TRP 48 N -3.26 1.61 -0.09 -2.53 -0.00 -1.26 -4.00 118.94 109.42 3in0 s TRP 48 Ca 0.37 -0.87 0.00 0.00 -0.00 0.00 0.00 56.10 55.61 3in0 s TRP 48 Cb 0.02 -1.30 0.02 0.00 -0.00 0.00 0.00 33.47 32.21 3in0 s TRP 48 CO 0.26 -0.55 -0.08 0.08 -0.00 0.00 0.00 176.95 176.66 3in0 s VAL 49 N 1.67 0.91 -0.02 5.86 1.01 0.32 -0.70 120.40 129.44 3in0 s VAL 49 Ca 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 3in0 s VAL 49 Cb -0.13 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 3in0 s VAL 49 CO -0.08 0.33 0.10 -0.22 0.00 0.00 0.00 175.10 175.23 3in0 s LEU 50 N 1.33 4.03 -0.05 3.92 2.96 -0.71 -1.21 118.68 128.96 3in0 s LEU 50 Ca -0.03 0.22 -0.30 0.00 -0.22 0.00 0.00 54.13 53.81 3in0 s LEU 50 Cb -0.14 -2.31 0.10 0.00 0.50 0.00 0.00 46.19 44.35 3in0 s LEU 50 CO -0.03 0.29 1.33 -0.94 -1.32 0.00 0.00 176.35 175.68 3in0 s SER 51 N -1.67 -0.00 0.66 3.68 1.04 -0.95 -1.81 113.70 114.65 3in0 s SER 51 Ca 0.23 -0.11 -0.17 0.00 0.48 0.00 0.00 55.95 56.37 3in0 s SER 51 Cb -0.12 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.08 3in0 s SER 51 CO 0.13 -0.17 1.27 0.42 0.98 0.00 0.00 173.24 175.88 3in0 s THR 52 N -2.04 2.12 0.36 2.02 -4.23 -1.26 -0.10 115.64 112.51 3in0 s THR 52 Ca 0.28 0.07 0.09 0.00 -1.18 0.00 0.00 61.69 60.95 3in0 s THR 52 Cb 0.01 -2.94 0.32 0.00 1.34 0.00 0.00 72.50 71.23 3in0 s THR 52 CO -0.02 -0.02 1.90 0.00 -0.54 0.00 0.00 174.62 175.94 3in0 h ALA 53 N 0.36 1.82 -0.05 3.99 0.00 -1.76 -1.75 119.26 121.88 3in0 h ALA 53 Ca -0.50 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.45 3in0 h ALA 53 Cb 1.33 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 3in0 h ALA 53 CO 0.52 -0.02 -0.24 0.00 0.00 0.00 0.00 179.25 179.51 3in0 h ALA 54 N 1.60 -0.28 -0.01 0.00 0.00 -1.89 -2.99 119.26 115.69 3in0 h ALA 54 Ca 0.40 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3in0 h ALA 54 Cb 0.60 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3in0 h ALA 54 CO -0.17 -0.72 -0.33 -0.25 0.00 0.00 0.00 179.25 177.78 3in0 n ASP 55 N -5.36 1.55 -0.41 0.00 8.00 -1.10 -4.42 116.55 114.81 3in0 n ASP 55 Ca -0.04 -1.23 0.40 0.00 0.71 0.00 0.00 54.79 54.63 3in0 n ASP 55 Cb 0.27 0.27 0.77 0.00 -0.02 0.00 0.00 41.12 42.41 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 1.92 0.00 0.12 -1.24 1.85 -1.16 -2.10 114.93 114.31 3in0 h MET 56 Ca 0.00 0.00 -0.35 0.00 -0.61 0.00 0.00 59.70 58.74 3in0 h MET 56 Cb 0.63 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.65 3in0 h MET 56 CO 0.00 0.00 -1.91 1.96 -0.40 0.00 0.00 176.91 176.56 3in0 h GLN 57 N 0.00 0.25 0.00 0.39 1.08 -1.78 -3.23 115.11 111.82 3in0 h GLN 57 Ca 0.66 -0.43 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 3in0 h GLN 57 Cb 2.66 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 30.25 3in0 h GLN 57 CO -0.01 1.14 0.00 0.41 -0.95 0.00 0.00 178.83 179.43 3in0 n GLY 58 N 1.91 -1.41 0.11 3.46 0.00 -0.86 -0.86 105.19 107.55 3in0 n GLY 58 Ca -0.28 -0.08 -0.08 0.00 0.00 0.00 0.00 46.02 45.58 3in0 n GLY 58 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3in0 h VAL 59 N 0.00 1.53 0.23 1.61 2.07 -1.52 -2.09 116.25 118.08 3in0 h VAL 59 Ca 0.00 -2.76 -0.32 0.00 0.82 0.00 0.00 66.70 64.44 3in0 h VAL 59 Cb 0.47 2.55 0.04 0.00 -1.52 0.00 0.00 31.29 32.83 3in0 h VAL 59 CO 0.00 0.80 -1.40 0.58 0.02 0.00 0.00 177.57 177.58 3in0 h VAL 60 N 0.08 1.30 0.01 2.57 2.07 -1.47 -3.15 116.25 117.66 3in0 h VAL 60 Ca -0.04 -2.65 -0.20 0.00 0.82 0.00 0.00 66.70 64.63 3in0 h VAL 60 Cb 1.56 3.01 -0.01 0.00 -1.52 0.00 0.00 31.29 34.33 3in0 h VAL 60 CO 0.13 0.79 -0.90 0.74 0.02 0.00 0.00 177.57 178.36 3in0 h THR 61 N 0.12 1.51 0.00 2.57 2.02 -1.06 0.40 112.91 118.47 3in0 h THR 61 Ca -0.24 -2.70 0.00 0.00 0.77 0.00 0.00 66.41 64.24 3in0 h THR 61 Cb 2.09 2.51 0.00 0.00 -1.74 0.00 0.00 68.15 71.02 3in0 h THR 61 CO 0.26 0.78 0.00 0.47 0.37 0.00 0.00 175.52 177.41 3in0 n ASP 62 N -3.63 0.00 -0.10 4.18 8.00 -0.79 -3.32 116.55 120.89 3in0 n ASP 62 Ca -0.03 0.01 -0.17 0.00 0.71 0.00 0.00 54.79 55.31 3in0 n ASP 62 Cb 0.82 -0.32 -0.06 0.00 -0.02 0.00 0.00 41.12 41.54 3in0 n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3in0 n GLY 63 N 0.99 -0.48 0.15 0.44 0.00 -1.00 -3.95 105.19 101.33 3in0 n GLY 63 Ca 0.11 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 46.00 3in0 n GLY 63 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3in0 n MET 64 N -4.32 0.13 -1.00 1.61 0.00 0.10 0.15 117.12 113.78 3in0 n MET 64 Ca -0.30 0.62 -0.13 0.00 0.00 0.00 0.00 57.70 57.90 3in0 n MET 64 Cb 0.65 -1.92 0.20 0.00 0.00 0.00 0.00 33.22 32.15 3in0 n MET 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3in0 n ALA 65 N -1.76 4.88 0.00 3.17 0.00 -1.21 -4.31 120.51 121.29 3in0 n ALA 65 Ca -0.01 -2.96 0.00 0.00 0.00 0.00 0.00 53.44 50.46 3in0 n ALA 65 Cb 0.04 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.40 3in0 n ALA 65 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3in0 n SER 66 N -1.06 2.04 -0.44 0.00 7.64 0.39 -5.02 113.62 117.17 3in0 n SER 66 Ca 0.45 -0.05 0.06 0.00 1.01 0.00 0.00 58.87 60.34 3in0 n SER 66 Cb 1.34 0.50 -0.02 0.00 -1.01 0.00 0.00 64.21 65.03 3in0 n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3in0 n GLY 67 N 1.11 -2.24 0.28 0.23 0.00 -1.10 -4.03 105.19 99.45 3in0 n GLY 67 Ca 0.00 -1.37 0.08 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.42 0.05 -1.78 0.99 5.85 -1.95 0.78 115.31 118.83 3in0 h LEU 68 Ca -0.03 0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 3in0 h LEU 68 Cb 0.41 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 3in0 h LEU 68 CO 0.02 -0.05 -0.15 -2.24 -0.34 0.00 0.00 178.44 175.67 3in0 h ASP 69 N 0.28 0.00 -0.17 1.25 2.03 -2.02 0.21 116.42 117.99 3in0 h ASP 69 Ca 0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.76 3in0 h ASP 69 Cb 0.82 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.32 3in0 h ASP 69 CO -0.54 0.15 0.00 1.17 -1.03 0.00 0.00 179.24 178.99 3in0 n LYS 70 N -3.70 1.56 -2.45 4.15 3.00 0.22 -4.87 118.16 116.08 3in0 n LYS 70 Ca -0.02 -0.85 -0.21 0.00 -0.00 0.00 0.00 58.31 57.24 3in0 n LYS 70 Cb 0.27 -1.30 -0.01 0.00 0.00 0.00 0.00 35.03 33.99 3in0 n LYS 70 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3in0 n ASP 71 N 0.11 -5.86 -4.19 3.14 9.92 0.73 -1.84 116.55 118.56 3in0 n ASP 71 Ca 0.13 -0.04 -0.36 0.00 -0.53 0.00 0.00 54.79 53.99 3in0 n ASP 71 Cb 0.24 -4.85 -0.03 0.00 -0.64 0.00 0.00 41.12 35.84 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 -4.07 -1.71 -4.34 1.24 4.01 -0.92 -4.75 117.16 106.63 3in0 n TYR 72 Ca -0.23 0.77 -0.20 0.00 -0.16 0.00 0.00 57.90 58.07 3in0 n TYR 72 Cb 0.68 -2.83 -0.13 0.00 -0.31 0.00 0.00 39.34 36.75 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 -7.20 2.20 -0.22 7.72 1.43 -0.77 -4.41 118.68 117.42 3in0 s LEU 73 Ca 0.73 -0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 53.04 3in0 s LEU 73 Cb -0.40 -0.64 0.00 0.00 0.03 0.00 0.00 46.19 45.18 3in0 s LEU 73 CO 0.90 0.03 1.11 -0.75 0.23 0.00 0.00 176.35 177.87 3in0 s LYS 74 N -1.30 4.23 0.04 1.70 2.20 -1.25 -4.85 119.74 120.50 3in0 s LYS 74 Ca 0.02 1.41 -0.38 0.00 -0.36 0.00 0.00 55.97 56.66 3in0 s LYS 74 Cb -0.08 -3.69 -0.19 0.00 -1.51 0.00 0.00 37.83 32.36 3in0 s LYS 74 CO 0.02 -0.69 1.14 -2.30 -0.36 0.00 0.00 175.35 173.16 3in0 n PRO 75 N 6.48 0.40 -0.78 4.03 -0.02 -1.26 -1.34 135.00 142.51 3in0 n PRO 75 Ca 0.13 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3in0 n PRO 75 Cb 0.46 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 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 1.85 -1.85 -3.31 2.55 8.00 -1.26 -4.86 116.55 117.66 3in0 n ASP 76 Ca 0.19 0.00 -0.47 0.00 0.71 0.00 0.00 54.79 55.22 3in0 n ASP 76 Cb 0.12 -2.05 -0.09 0.00 -0.02 0.00 0.00 41.12 39.09 3in0 n ASP 76 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3in0 n ASP 77 N -0.25 0.65 0.20 -2.24 -0.08 -0.45 -4.82 116.55 109.56 3in0 n ASP 77 Ca 0.00 0.61 0.06 0.00 -1.51 0.00 0.00 54.79 53.96 3in0 n ASP 77 Cb 0.13 -0.68 0.40 0.00 2.34 0.00 0.00 41.12 43.31 3in0 n ASP 77 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3in0 h SER 78 N 6.05 0.00 -0.31 1.67 4.64 -1.89 -3.16 113.55 120.54 3in0 h SER 78 Ca -0.14 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.14 3in0 h SER 78 Cb 1.06 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 3in0 h SER 78 CO 0.80 0.33 0.08 0.03 -0.87 0.00 0.00 176.83 177.20 3in0 h ARG 79 N 0.00 0.59 -6.66 4.77 3.08 -1.98 -3.43 114.38 110.75 3in0 h ARG 79 Ca -0.00 -0.11 -0.52 0.00 0.07 0.00 0.00 59.98 59.42 3in0 h ARG 79 Cb 0.77 -0.10 0.02 0.00 0.08 0.00 0.00 29.97 30.75 3in0 h ARG 79 CO 0.04 0.56 0.58 0.08 -1.07 0.00 0.00 179.97 180.17 3in0 s VAL 80 N -5.12 3.50 -0.12 2.04 1.01 -1.20 -4.65 120.40 115.86 3in0 s VAL 80 Ca -0.08 1.24 0.06 0.00 0.00 0.00 0.00 61.98 63.20 3in0 s VAL 80 Cb 0.16 -3.79 -0.24 0.00 0.00 0.00 0.00 36.38 32.51 3in0 s VAL 80 CO 0.77 0.19 0.37 -0.38 0.00 0.00 0.00 175.10 176.04 3in0 n ILE 81 N 2.62 1.62 -3.44 2.22 5.41 -0.75 -5.01 119.36 122.02 3in0 n ILE 81 Ca 0.05 -0.74 -0.12 0.00 1.00 0.00 0.00 62.75 62.94 3in0 n ILE 81 Cb 0.44 -1.22 -0.02 0.00 -0.71 0.00 0.00 39.64 38.13 3in0 n ILE 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3in0 s ALA 82 N -2.56 -1.65 -0.28 -1.39 0.00 -1.25 -4.94 121.76 109.69 3in0 s ALA 82 Ca -0.15 0.65 -0.20 0.00 0.00 0.00 0.00 51.96 52.25 3in0 s ALA 82 Cb 0.07 0.73 0.11 0.00 0.00 0.00 0.00 23.12 24.03 3in0 s ALA 82 CO 0.78 -0.72 0.87 -3.38 0.00 0.00 0.00 175.76 173.32 3in0 s HIS 83 N -3.40 -0.70 0.30 0.00 -3.43 -1.26 -1.73 115.29 105.06 3in0 s HIS 83 Ca 0.00 1.54 -0.05 0.00 -0.80 0.00 0.00 55.06 55.75 3in0 s HIS 83 Cb -0.01 0.41 0.07 0.00 -1.43 0.00 0.00 32.58 31.62 3in0 s HIS 83 CO -0.10 -0.34 0.27 0.25 -2.00 0.00 0.00 174.74 172.82 3in0 n THR 84 N 3.22 0.00 -2.25 -5.38 -2.24 0.12 -4.91 114.28 102.84 3in0 n THR 84 Ca -0.16 -0.13 -0.26 0.00 -2.27 0.00 0.00 64.05 61.23 3in0 n THR 84 Cb 0.57 -1.11 0.06 0.00 -2.10 0.00 0.00 70.33 67.75 3in0 n THR 84 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3in0 s LYS 85 N -3.62 2.36 -0.04 -0.78 1.02 -1.26 -4.74 119.74 112.69 3in0 s LYS 85 Ca 0.17 -0.21 -0.30 0.00 0.02 0.00 0.00 55.97 55.66 3in0 s LYS 85 Cb -0.02 -2.20 -0.03 0.00 -0.52 0.00 0.00 37.83 35.07 3in0 s LYS 85 CO 0.13 -1.11 1.09 -1.17 -0.92 0.00 0.00 175.35 173.37 3in0 s LEU 86 N -5.18 4.31 -0.05 3.17 2.96 -1.26 -4.43 118.68 118.19 3in0 s LEU 86 Ca 0.59 1.73 0.04 0.00 -0.22 0.00 0.00 54.13 56.27 3in0 s LEU 86 Cb -0.11 -3.56 -0.00 0.00 0.50 0.00 0.00 46.19 43.02 3in0 s LEU 86 CO 0.45 -0.45 -0.19 0.27 -1.32 0.00 0.00 176.35 175.11 3in0 s ILE 87 N 1.66 1.60 0.77 6.68 -4.36 -0.49 -4.93 121.20 122.13 3in0 s ILE 87 Ca 0.53 -0.80 -0.10 0.00 -0.26 0.00 0.00 60.65 60.02 3in0 s ILE 87 Cb -0.23 -1.38 0.07 0.00 1.25 0.00 0.00 42.46 42.18 3in0 s ILE 87 CO 0.24 0.46 1.12 -0.83 0.24 0.00 0.00 174.94 176.16 3in0 s GLY 88 N 0.08 1.63 0.50 6.27 0.00 -1.26 -2.64 107.32 111.90 3in0 s GLY 88 Ca -0.06 -0.76 -0.21 0.00 0.00 0.00 0.00 44.72 43.69 3in0 s GLY 88 CO 0.03 -0.30 0.86 -1.14 0.00 0.00 0.00 173.10 172.55 3in0 n SER 89 N -3.16 0.47 0.00 1.64 3.41 0.88 -1.62 113.62 115.24 3in0 n SER 89 Ca 0.08 0.90 0.00 0.00 -0.26 0.00 0.00 58.87 59.59 3in0 n SER 89 Cb 0.61 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 3in0 n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3in0 n GLY 90 N 1.39 1.81 3.09 5.00 0.00 0.38 -4.95 105.19 111.92 3in0 n GLY 90 Ca 0.11 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 3in0 n GLY 90 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3in0 n GLU 91 N 0.00 0.00 -4.07 1.61 1.02 -0.64 -4.22 120.64 114.34 3in0 n GLU 91 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 3in0 n GLU 91 Cb 0.00 -0.98 -0.11 0.00 -0.02 0.00 0.00 31.44 30.33 3in0 n GLU 91 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3in0 s LYS 92 N -1.31 0.56 -0.01 3.49 2.20 -1.26 -2.25 119.74 121.15 3in0 s LYS 92 Ca 0.50 -0.80 -0.01 0.00 -0.36 0.00 0.00 55.97 55.31 3in0 s LYS 92 Cb -0.38 -0.31 0.01 0.00 -1.51 0.00 0.00 37.83 35.64 3in0 s LYS 92 CO 0.70 0.05 0.03 0.34 -0.36 0.00 0.00 175.35 176.11 3in0 s ASP 93 N -1.67 0.00 0.02 1.43 2.15 0.53 -5.01 116.67 114.13 3in0 s ASP 93 Ca -0.08 0.05 0.09 0.00 0.43 0.00 0.00 52.55 53.03 3in0 s ASP 93 Cb -0.09 0.01 -0.02 0.00 -0.30 0.00 0.00 42.92 42.52 3in0 s ASP 93 CO 0.00 -0.05 -0.26 -0.44 -0.17 0.00 0.00 175.17 174.25 3in0 s SER 94 N 0.38 3.07 0.02 -0.34 0.01 -1.26 0.37 113.70 115.95 3in0 s SER 94 Ca -0.03 -0.54 0.01 0.00 1.31 0.00 0.00 55.95 56.70 3in0 s SER 94 Cb -0.04 -0.30 -0.02 0.00 0.21 0.00 0.00 66.02 65.87 3in0 s SER 94 CO -0.01 0.28 -0.05 0.54 0.41 0.00 0.00 173.24 174.41 3in0 s VAL 95 N -0.72 0.29 -0.03 3.43 0.11 -0.15 -4.92 120.40 118.40 3in0 s VAL 95 Ca 0.11 -0.80 0.07 0.00 -2.93 0.00 0.00 61.98 58.43 3in0 s VAL 95 Cb -0.10 -0.37 -0.02 0.00 -1.53 0.00 0.00 36.38 34.37 3in0 s VAL 95 CO 0.01 -0.34 -0.25 -0.89 -3.33 0.00 0.00 175.10 170.31 3in0 s THR 96 N -1.12 1.97 0.01 5.04 2.01 -1.26 0.19 115.64 122.48 3in0 s THR 96 Ca -0.10 -1.05 0.01 0.00 0.31 0.00 0.00 61.69 60.86 3in0 s THR 96 Cb -0.08 -1.65 -0.01 0.00 0.01 0.00 0.00 72.50 70.77 3in0 s THR 96 CO -0.00 0.55 -0.04 0.72 -0.69 0.00 0.00 174.62 175.17 3in0 s PHE 97 N -0.43 0.31 -0.47 4.92 -0.71 0.09 -4.95 117.98 116.74 3in0 s PHE 97 Ca 0.05 -0.30 -0.31 0.00 -1.04 0.00 0.00 56.93 55.34 3in0 s PHE 97 Cb -0.11 -0.20 -0.11 0.00 -1.21 0.00 0.00 43.02 41.39 3in0 s PHE 97 CO 0.01 -0.08 2.34 -3.47 -1.34 0.00 0.00 175.22 172.67 3in0 n ASP 98 N 2.23 2.07 0.29 1.98 -0.08 -1.26 -1.99 116.55 119.79 3in0 n ASP 98 Ca -0.18 0.08 0.14 0.00 -1.51 0.00 0.00 54.79 53.31 3in0 n ASP 98 Cb 0.57 -1.35 0.87 0.00 2.34 0.00 0.00 41.12 43.55 3in0 n ASP 98 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 3in0 h VAL 99 N 7.42 0.59 -1.07 5.18 2.07 -1.20 -1.41 116.25 127.82 3in0 h VAL 99 Ca -0.25 -0.05 0.29 0.00 0.82 0.00 0.00 66.70 67.51 3in0 h VAL 99 Cb 1.29 1.03 -0.07 0.00 -1.52 0.00 0.00 31.29 32.02 3in0 h VAL 99 CO 1.11 0.01 0.73 0.77 0.02 0.00 0.00 177.57 180.21 3in0 h SER 100 N 0.00 0.24 0.00 0.57 4.64 -1.88 0.18 113.55 117.30 3in0 h SER 100 Ca -0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3in0 h SER 100 Cb 0.03 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3in0 h SER 100 CO 0.00 0.04 0.00 0.29 -0.87 0.00 0.00 176.83 176.30 3in0 n LYS 101 N -4.43 0.73 -3.31 4.77 5.02 -0.53 -4.28 118.16 116.12 3in0 n LYS 101 Ca 0.25 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.22 3in0 n LYS 101 Cb 1.02 -1.21 -0.06 0.00 -0.02 0.00 0.00 35.03 34.76 3in0 n LYS 101 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3in0 n LEU 102 N -0.13 4.48 -4.70 -0.35 4.77 0.61 -5.07 117.00 116.61 3in0 n LEU 102 Ca 0.00 -5.39 -0.43 0.00 -0.03 0.00 0.00 56.01 50.16 3in0 n LEU 102 Cb 0.11 -0.83 -0.02 0.00 -2.33 0.00 0.00 43.42 40.34 3in0 n LEU 102 CO 0.00 1.96 1.14 0.29 -1.33 0.00 0.00 177.39 179.45 3in0 n LYS 103 N 0.98 2.35 -1.68 3.23 5.02 -1.26 -4.86 118.16 121.93 3in0 n LYS 103 Ca 0.29 0.84 -0.58 0.00 -2.02 0.00 0.00 58.31 56.84 3in0 n LYS 103 Cb 0.39 -2.56 -0.07 0.00 -0.02 0.00 0.00 35.03 32.76 3in0 n LYS 103 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3in0 n GLU 104 N 2.31 0.90 0.00 1.97 4.07 -1.26 -3.13 120.64 125.50 3in0 n GLU 104 Ca 0.11 0.33 0.00 0.00 -0.06 0.00 0.00 57.16 57.54 3in0 n GLU 104 Cb 0.33 -1.96 0.00 0.00 -0.06 0.00 0.00 31.44 29.75 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 3.61 2.20 3.60 8.31 0.00 -1.26 -5.06 105.19 116.59 3in0 n GLY 105 Ca 0.25 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 3in0 n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3in0 s GLU 106 N 0.00 0.14 -0.10 1.61 2.02 -1.19 -5.01 118.70 116.17 3in0 s GLU 106 Ca 0.00 0.98 -0.04 0.00 0.02 0.00 0.00 54.97 55.93 3in0 s GLU 106 Cb 0.00 -1.67 -0.04 0.00 0.10 0.00 0.00 34.13 32.53 3in0 s GLU 106 CO 0.00 -3.05 0.06 -0.65 0.02 0.00 0.00 175.26 171.63 3in0 s GLN 107 N -4.65 3.18 0.04 1.61 -0.21 -1.26 -4.93 119.66 113.44 3in0 s GLN 107 Ca 0.67 -0.30 0.07 0.00 0.02 0.00 0.00 55.36 55.82 3in0 s GLN 107 Cb -0.22 -2.96 -0.02 0.00 1.00 0.00 0.00 33.01 30.81 3in0 s GLN 107 CO 0.61 0.73 -0.19 0.71 -2.12 0.00 0.00 175.29 175.02 3in0 s TYR 108 N -0.92 1.69 -0.04 0.91 2.02 -1.25 -2.31 117.35 117.45 3in0 s TYR 108 Ca 0.14 -0.37 0.07 0.00 -0.37 0.00 0.00 57.07 56.53 3in0 s TYR 108 Cb -0.12 -1.00 -0.01 0.00 -0.40 0.00 0.00 41.96 40.43 3in0 s TYR 108 CO 0.03 0.08 -0.24 -1.64 -1.57 0.00 0.00 175.55 172.22 3in0 s MET 109 N -1.19 2.19 0.02 -0.62 -1.94 0.85 0.50 119.30 119.11 3in0 s MET 109 Ca 0.06 -0.86 0.03 0.00 -1.71 0.00 0.00 55.69 53.22 3in0 s MET 109 Cb -0.09 -1.97 -0.04 0.00 2.01 0.00 0.00 34.83 34.74 3in0 s MET 109 CO 0.02 0.43 -0.04 -0.59 -0.01 0.00 0.00 175.02 174.83 3in0 s PHE 110 N -0.33 2.95 0.15 -0.03 -0.12 0.49 -2.24 117.98 118.84 3in0 s PHE 110 Ca 0.02 -0.01 -0.25 0.00 -0.05 0.00 0.00 56.93 56.65 3in0 s PHE 110 Cb -0.11 -1.61 0.06 0.00 -0.63 0.00 0.00 43.02 40.73 3in0 s PHE 110 CO 0.01 0.42 0.91 -0.59 -0.05 0.00 0.00 175.22 175.92 3in0 s PHE 111 N -1.08 -0.18 -0.14 3.49 -0.71 -0.35 -0.37 117.98 118.64 3in0 s PHE 111 Ca 0.19 -0.12 -0.05 0.00 -1.04 0.00 0.00 56.93 55.91 3in0 s PHE 111 Cb -0.11 0.63 -0.03 0.00 -1.21 0.00 0.00 43.02 42.30 3in0 s PHE 111 CO 0.10 -0.84 0.01 0.00 -1.34 0.00 0.00 175.22 173.15 3in0 n THR 113 N 3.12 0.00 -1.35 0.00 -2.24 -1.26 -3.54 114.28 109.02 3in0 n THR 113 Ca -0.17 -0.20 -0.36 0.00 -2.27 0.00 0.00 64.05 61.04 3in0 n THR 113 Cb 0.53 1.12 0.07 0.00 -2.10 0.00 0.00 70.33 69.95 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 -0.69 0.45 -1.41 -0.78 -0.02 -1.26 -4.38 135.00 126.91 3in0 n PRO 114 Ca 0.06 0.20 -0.55 0.00 -2.02 0.00 0.00 63.50 61.19 3in0 n PRO 114 Cb 0.34 -1.98 -0.09 0.00 -0.02 0.00 0.00 33.50 31.76 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 -1.07 0.71 -0.50 0.52 -0.02 -1.26 -1.41 135.00 131.96 3in0 n PRO 115 Ca 0.12 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3in0 n PRO 115 Cb 0.49 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 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 6.59 0.82 0.19 -1.23 0.00 -1.26 -4.93 105.19 105.38 3in0 n GLY 116 Ca 0.44 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.38 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 0.55 0.00 1.61 3.86 -1.51 -3.18 115.15 116.48 3in0 h HIS 117 Ca 0.00 -0.21 -0.00 0.00 -1.16 0.00 0.00 60.37 59.00 3in0 h HIS 117 Cb 0.00 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.37 3in0 h HIS 117 CO 0.00 0.93 -0.00 0.66 0.86 0.00 0.00 177.93 180.38 3in0 h SER 118 N 0.32 0.00 -0.78 2.45 4.64 -1.77 -0.52 113.55 117.89 3in0 h SER 118 Ca -0.01 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.43 3in0 h SER 118 Cb 1.15 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.16 3in0 h SER 118 CO 0.11 0.00 0.40 0.00 -0.87 0.00 0.00 176.83 176.47 3in0 h ALA 119 N 2.00 1.13 0.00 5.18 0.00 -1.91 -3.16 119.26 122.50 3in0 h ALA 119 Ca -0.00 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3in0 h ALA 119 Cb 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3in0 h ALA 119 CO 0.00 -0.05 -1.69 1.28 0.00 0.00 0.00 179.25 178.79 3in0 n LEU 120 N -4.85 0.00 -3.39 0.00 7.99 -0.90 -4.75 117.00 111.09 3in0 n LEU 120 Ca 0.14 0.00 -0.35 0.00 -0.01 0.00 0.00 56.01 55.79 3in0 n LEU 120 Cb 0.34 0.08 -0.01 0.00 -0.11 0.00 0.00 43.42 43.72 3in0 n LEU 120 CO 0.23 0.08 0.79 0.00 -1.51 0.00 0.00 177.39 176.98 3in0 n GLN 121 N -2.11 4.24 -4.27 3.23 6.02 -0.25 -4.67 117.38 119.57 3in0 n GLN 121 Ca -0.07 -4.74 -0.15 0.00 -0.01 0.00 0.00 57.00 52.03 3in0 n GLN 121 Cb 0.50 -2.37 -0.10 0.00 1.02 0.00 0.00 30.24 29.30 3in0 n GLN 121 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3in0 s LYS 122 N -3.67 1.17 0.00 -1.09 -2.85 -1.22 -1.96 119.74 110.11 3in0 s LYS 122 Ca 0.42 -1.56 0.00 0.00 -1.00 0.00 0.00 55.97 53.84 3in0 s LYS 122 Cb 0.21 -0.47 0.00 0.00 -2.06 0.00 0.00 37.83 35.50 3in0 s LYS 122 CO -0.10 -0.06 0.00 0.41 0.10 0.00 0.00 175.35 175.70 3in0 n GLY 123 N -0.28 0.91 3.88 0.59 0.00 0.50 -4.87 105.19 105.91 3in0 n GLY 123 Ca -0.07 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 44.87 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 5.31 -0.10 2.61 -4.23 -1.24 0.18 115.64 116.18 3in0 s THR 124 Ca 0.00 0.29 0.02 0.00 -1.18 0.00 0.00 61.69 60.82 3in0 s THR 124 Cb 0.00 -3.54 -0.01 0.00 1.34 0.00 0.00 72.50 70.28 3in0 s THR 124 CO 0.00 0.47 -0.16 -0.22 -0.54 0.00 0.00 174.62 174.16 3in0 s LEU 125 N -1.45 2.54 -0.33 4.79 0.20 0.18 -1.62 118.68 123.00 3in0 s LEU 125 Ca 0.23 -0.36 0.02 0.00 0.69 0.00 0.00 54.13 54.71 3in0 s LEU 125 Cb -0.13 -1.54 0.10 0.00 -0.43 0.00 0.00 46.19 44.19 3in0 s LEU 125 CO 0.12 0.21 0.08 -0.89 -0.29 0.00 0.00 176.35 175.59 3in0 s THR 126 N 0.06 1.57 -0.96 3.68 2.01 0.62 -3.77 115.64 118.84 3in0 s THR 126 Ca -0.07 -1.91 -0.25 0.00 0.31 0.00 0.00 61.69 59.78 3in0 s THR 126 Cb -0.15 -2.17 -0.21 0.00 0.01 0.00 0.00 72.50 69.98 3in0 s THR 126 CO 0.05 -0.65 2.11 -0.11 -0.69 0.00 0.00 174.62 175.32 3in0 n LEU 127 N 4.50 1.16 0.00 4.42 0.00 -1.26 -2.19 117.00 123.62 3in0 n LEU 127 Ca 0.01 -2.20 0.00 0.00 0.00 0.00 0.00 56.01 53.82 3in0 n LEU 127 Cb 0.42 -1.63 0.00 0.00 0.00 0.00 0.00 43.42 42.20 3in0 n LEU 127 CO 0.17 -3.33 0.21 2.29 0.00 0.00 0.00 177.39 176.72