#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 4.11 -1.48 0.00 -6.30 -1.26 -3.59 118.70 110.19 3in0 s GLU 2 Ca 0.00 0.63 0.00 0.00 -2.50 0.00 0.00 54.97 53.10 3in0 s GLU 2 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 34.13 30.96 3in0 s GLU 2 CO 0.00 0.61 0.00 0.00 0.02 0.00 0.00 175.26 175.89 3in0 s SER 4 N -2.63 1.39 -0.04 0.00 0.15 -1.24 -2.83 113.70 108.50 3in0 s SER 4 Ca 0.00 -0.03 -0.01 0.00 0.70 0.00 0.00 55.95 56.61 3in0 s SER 4 Cb 0.00 -0.25 -0.04 0.00 -1.71 0.00 0.00 66.02 64.02 3in0 s SER 4 CO 0.00 -0.24 0.04 0.54 1.20 0.00 0.00 173.24 174.79 3in0 s VAL 5 N 2.10 4.55 0.25 4.45 0.11 -1.05 -4.63 120.40 126.17 3in0 s VAL 5 Ca 0.05 -0.34 0.07 0.00 -2.93 0.00 0.00 61.98 58.83 3in0 s VAL 5 Cb -0.12 -3.01 -0.04 0.00 -1.53 0.00 0.00 36.38 31.68 3in0 s VAL 5 CO -0.04 0.46 0.17 -1.81 -3.33 0.00 0.00 175.10 170.55 3in0 s ASP 6 N -1.37 5.42 -0.14 3.54 1.01 -1.26 -1.14 116.67 122.73 3in0 s ASP 6 Ca 0.18 -0.29 -0.15 0.00 0.71 0.00 0.00 52.55 53.01 3in0 s ASP 6 Cb -0.12 -1.35 0.04 0.00 1.01 0.00 0.00 42.92 42.51 3in0 s ASP 6 CO 0.09 -0.03 0.41 -0.63 0.21 0.00 0.00 175.17 175.22 3in0 s ILE 7 N -2.13 0.01 -0.04 0.77 -1.09 0.19 -4.89 121.20 114.02 3in0 s ILE 7 Ca 0.33 -0.05 0.02 0.00 -2.23 0.00 0.00 60.65 58.72 3in0 s ILE 7 Cb -0.08 -0.60 -0.03 0.00 -1.58 0.00 0.00 42.46 40.17 3in0 s ILE 7 CO 0.24 -0.03 -0.09 -1.10 -1.23 0.00 0.00 174.94 172.74 3in0 s GLN 8 N 0.01 2.62 -0.56 2.79 -0.21 -1.26 0.13 119.66 123.18 3in0 s GLN 8 Ca -0.02 -0.64 0.04 0.00 0.02 0.00 0.00 55.36 54.76 3in0 s GLN 8 Cb -0.03 -2.51 0.15 0.00 1.00 0.00 0.00 33.01 31.62 3in0 s GLN 8 CO 0.01 0.64 0.33 0.20 -2.12 0.00 0.00 175.29 174.35 3in0 s GLY 9 N -0.97 2.43 0.72 3.09 0.00 0.36 -4.09 107.32 108.86 3in0 s GLY 9 Ca 0.13 -3.32 -0.11 0.00 0.00 0.00 0.00 44.72 41.42 3in0 s GLY 9 CO 0.03 1.16 1.11 0.54 0.00 0.00 0.00 173.10 175.94 3in0 s ASN 10 N -0.55 5.31 0.00 1.64 2.20 -1.25 -3.35 114.94 118.93 3in0 s ASN 10 Ca 0.20 1.07 0.00 0.00 -0.94 0.00 0.00 52.86 53.19 3in0 s ASN 10 Cb -0.18 -1.82 0.00 0.00 -2.00 0.00 0.00 41.25 37.25 3in0 s ASN 10 CO -0.06 -1.42 0.48 0.47 -2.94 0.00 0.00 177.10 173.62 3in0 n ASP 11 N -3.05 0.93 -1.18 3.54 9.92 -1.26 -2.38 116.55 123.07 3in0 n ASP 11 Ca 0.07 -1.89 0.11 0.00 -0.53 0.00 0.00 54.79 52.56 3in0 n ASP 11 Cb 0.58 -0.47 0.24 0.00 -0.64 0.00 0.00 41.12 40.83 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 0.02 2.55 -3.42 -1.24 3.00 -1.26 -4.97 117.38 112.06 3in0 n GLN 12 Ca 0.00 -2.37 -0.18 0.00 -0.01 0.00 0.00 57.00 54.43 3in0 n GLN 12 Cb 0.23 -1.52 0.07 0.00 0.00 0.00 0.00 30.24 29.02 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 1.49 -3.88 -4.32 -1.09 2.81 -1.00 -5.00 117.12 106.13 3in0 n MET 13 Ca 0.20 0.78 -0.20 0.00 -1.81 0.00 0.00 57.70 56.68 3in0 n MET 13 Cb 0.60 -5.56 -0.08 0.00 -0.71 0.00 0.00 33.22 27.47 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 -5.10 1.73 -0.18 0.03 -0.21 -1.25 -4.00 119.66 110.68 3in0 s GLN 14 Ca 0.25 -2.01 -0.10 0.00 0.02 0.00 0.00 55.36 53.52 3in0 s GLN 14 Cb -0.04 0.15 0.06 0.00 1.00 0.00 0.00 33.01 34.18 3in0 s GLN 14 CO 0.76 -0.59 0.44 -0.06 -2.12 0.00 0.00 175.29 173.71 3in0 s PHE 15 N -3.48 -0.64 -0.01 0.91 0.08 -1.26 -3.95 117.98 109.64 3in0 s PHE 15 Ca 0.38 1.36 -0.24 0.00 0.12 0.00 0.00 56.93 58.55 3in0 s PHE 15 Cb 0.03 0.29 -0.16 0.00 -0.57 0.00 0.00 43.02 42.62 3in0 s PHE 15 CO 0.24 -0.35 1.10 -2.95 -0.10 0.00 0.00 175.22 173.15 3in0 h ASN 16 N 7.04 -0.37 -4.24 1.36 7.08 -1.98 -3.44 115.58 121.04 3in0 h ASN 16 Ca -0.36 -0.18 -0.45 0.00 -3.08 0.00 0.00 56.30 52.23 3in0 h ASN 16 Cb 1.19 0.10 0.14 0.00 -2.08 0.00 0.00 38.32 37.66 3in0 h ASN 16 CO 0.28 0.04 0.38 0.28 -2.08 0.00 0.00 177.43 176.33 3in0 s THR 17 N -4.30 1.97 0.00 6.14 -1.32 -1.26 -4.98 115.64 111.89 3in0 s THR 17 Ca -0.13 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 3in0 s THR 17 Cb 0.02 -2.93 0.00 0.00 -1.51 0.00 0.00 72.50 68.07 3in0 s THR 17 CO 0.49 0.00 0.37 -0.46 -2.21 0.00 0.00 174.62 172.81 3in0 n ASN 18 N -3.67 0.00 -2.70 8.08 0.23 -1.26 -4.88 115.26 111.06 3in0 n ASN 18 Ca 0.11 -1.12 -0.06 0.00 -0.53 0.00 0.00 54.58 52.98 3in0 n ASN 18 Cb 0.60 -0.02 0.10 0.00 -2.08 0.00 0.00 39.78 38.37 3in0 n ASN 18 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3in0 n ALA 19 N 0.00 -1.60 -1.58 -2.53 0.00 -1.18 0.50 120.51 114.13 3in0 n ALA 19 Ca 0.00 -0.99 -0.48 0.00 0.00 0.00 0.00 53.44 51.97 3in0 n ALA 19 Cb 0.52 -1.87 -0.04 0.00 0.00 0.00 0.00 19.45 18.07 3in0 n ALA 19 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3in0 n ILE 20 N 0.27 0.92 -4.11 0.00 5.41 0.35 -4.74 119.36 117.46 3in0 n ILE 20 Ca -0.01 -0.23 -0.35 0.00 1.00 0.00 0.00 62.75 63.16 3in0 n ILE 20 Cb 0.73 -0.89 -0.14 0.00 -0.71 0.00 0.00 39.64 38.64 3in0 n ILE 20 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 3in0 s THR 21 N -0.20 3.45 -0.27 1.39 2.01 -1.26 -0.50 115.64 120.27 3in0 s THR 21 Ca 0.73 -0.48 -0.05 0.00 0.31 0.00 0.00 61.69 62.19 3in0 s THR 21 Cb -0.84 -2.55 0.00 0.00 0.01 0.00 0.00 72.50 69.13 3in0 s THR 21 CO 0.52 0.45 0.03 -0.69 -0.69 0.00 0.00 174.62 174.24 3in0 s VAL 22 N 1.13 3.72 -0.34 3.82 1.01 0.62 -4.90 120.40 125.46 3in0 s VAL 22 Ca 0.02 -0.64 -0.29 0.00 0.00 0.00 0.00 61.98 61.06 3in0 s VAL 22 Cb -0.15 -2.85 -0.00 0.00 0.00 0.00 0.00 36.38 33.39 3in0 s VAL 22 CO -0.01 0.20 1.42 -0.62 0.00 0.00 0.00 175.10 176.09 3in0 s ASP 23 N 1.48 6.45 0.07 3.32 2.15 -1.26 -1.44 116.67 127.44 3in0 s ASP 23 Ca 0.03 1.11 -0.09 0.00 0.43 0.00 0.00 52.55 54.04 3in0 s ASP 23 Cb -0.16 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 39.94 3in0 s ASP 23 CO 0.00 -1.28 0.53 0.29 -0.17 0.00 0.00 175.17 174.54 3in0 n LYS 24 N 7.74 -0.12 0.00 4.34 5.02 -1.26 -0.61 118.16 133.27 3in0 n LYS 24 Ca 0.16 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 3in0 n LYS 24 Cb 0.47 -0.78 0.00 0.00 -0.02 0.00 0.00 35.03 34.70 3in0 n LYS 24 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3in0 n SER 25 N -4.46 0.03 -4.71 4.39 7.64 -1.26 -4.74 113.62 110.50 3in0 n SER 25 Ca 0.02 -1.70 -0.39 0.00 1.01 0.00 0.00 58.87 57.81 3in0 n SER 25 Cb 0.11 -0.01 -0.05 0.00 -1.01 0.00 0.00 64.21 63.25 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 6.83 -0.48 -6.17 0.00 6.56 -1.89 -3.41 116.57 118.01 3in0 h LYS 27 Ca -0.40 0.03 -0.52 0.00 -1.06 0.00 0.00 60.65 58.71 3in0 h LYS 27 Cb 1.19 0.11 -0.06 0.00 -0.57 0.00 0.00 32.23 32.90 3in0 h LYS 27 CO 0.76 -0.28 -0.51 -0.65 -2.06 0.00 0.00 179.45 176.71 3in0 s GLN 28 N -5.81 2.64 0.01 3.15 1.11 -1.26 -2.18 119.66 117.32 3in0 s GLN 28 Ca -0.15 -1.31 0.04 0.00 0.01 0.00 0.00 55.36 53.94 3in0 s GLN 28 Cb 0.04 -2.39 -0.01 0.00 -1.01 0.00 0.00 33.01 29.64 3in0 s GLN 28 CO 0.62 0.20 -0.13 0.12 0.01 0.00 0.00 175.29 176.11 3in0 s PHE 29 N -2.30 1.14 -0.21 0.91 5.36 0.29 -4.78 117.98 118.39 3in0 s PHE 29 Ca 0.37 -0.27 -0.00 0.00 -0.96 0.00 0.00 56.93 56.07 3in0 s PHE 29 Cb -0.06 -0.71 0.06 0.00 -0.34 0.00 0.00 43.02 41.97 3in0 s PHE 29 CO 0.24 0.00 -0.03 0.99 -1.46 0.00 0.00 175.22 174.96 3in0 s THR 30 N -0.53 1.21 -0.09 0.12 2.01 -1.13 -0.14 115.64 117.09 3in0 s THR 30 Ca 0.03 -0.93 -0.18 0.00 0.31 0.00 0.00 61.69 60.92 3in0 s THR 30 Cb -0.06 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 3in0 s THR 30 CO 0.00 -0.07 0.49 -0.69 -0.69 0.00 0.00 174.62 173.66 3in0 s VAL 31 N 1.55 5.13 -0.20 3.82 1.01 0.24 -2.54 120.40 129.41 3in0 s VAL 31 Ca -0.03 0.99 -0.01 0.00 0.00 0.00 0.00 61.98 62.93 3in0 s VAL 31 Cb -0.18 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.39 3in0 s VAL 31 CO -0.07 0.36 -0.14 0.20 0.00 0.00 0.00 175.10 175.45 3in0 s ASN 32 N 0.33 3.58 -0.04 3.32 0.01 -0.29 0.35 114.94 122.19 3in0 s ASN 32 Ca 0.27 -0.58 0.06 0.00 -0.71 0.00 0.00 52.86 51.90 3in0 s ASN 32 Cb -0.16 -1.57 -0.02 0.00 0.41 0.00 0.00 41.25 39.91 3in0 s ASN 32 CO 0.12 -0.01 -0.23 -0.22 -1.51 0.00 0.00 177.10 175.24 3in0 s LEU 33 N 1.35 2.20 0.15 0.60 2.96 0.09 0.57 118.68 126.60 3in0 s LEU 33 Ca 0.05 -0.43 0.05 0.00 -0.22 0.00 0.00 54.13 53.58 3in0 s LEU 33 Cb -0.14 -1.40 -0.04 0.00 0.50 0.00 0.00 46.19 45.11 3in0 s LEU 33 CO -0.09 0.29 -0.12 -0.55 -1.32 0.00 0.00 176.35 174.56 3in0 s SER 34 N -0.44 1.96 -0.46 3.68 0.15 0.34 -1.26 113.70 117.68 3in0 s SER 34 Ca 0.05 -0.97 0.04 0.00 0.70 0.00 0.00 55.95 55.76 3in0 s SER 34 Cb -0.12 -0.04 0.12 0.00 -1.71 0.00 0.00 66.02 64.27 3in0 s SER 34 CO 0.01 -0.27 0.20 -2.28 1.20 0.00 0.00 173.24 172.10 3in0 s HIS 35 N -3.03 3.18 -1.07 3.44 2.46 -1.24 0.13 115.29 119.17 3in0 s HIS 35 Ca 0.16 -3.02 -0.15 0.00 0.47 0.00 0.00 55.06 52.52 3in0 s HIS 35 Cb 0.00 -2.73 0.17 0.00 -0.13 0.00 0.00 32.58 29.89 3in0 s HIS 35 CO 0.02 -0.80 1.25 -1.25 -2.47 0.00 0.00 174.74 171.48 3in0 s PRO 36 N 0.15 3.87 0.00 2.88 0.04 -1.21 -3.23 135.00 137.49 3in0 s PRO 36 Ca 0.15 -2.29 0.00 0.00 0.04 0.00 0.00 61.00 58.90 3in0 s PRO 36 Cb -0.24 -4.93 0.00 0.00 0.04 0.00 0.00 34.50 29.37 3in0 s PRO 36 CO -0.03 -1.70 0.00 0.41 0.04 0.00 0.00 177.00 175.72 3in0 n GLY 37 N 4.56 3.96 0.79 0.56 0.00 -1.26 -4.24 105.19 109.56 3in0 n GLY 37 Ca 0.29 -0.69 -0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 0.09 -4.07 1.61 5.03 -1.26 -4.75 115.26 111.92 3in0 n ASN 38 Ca 0.00 -1.76 -0.17 0.00 0.87 0.00 0.00 54.58 53.52 3in0 n ASN 38 Cb 0.00 -0.11 -0.13 0.00 -1.02 0.00 0.00 39.78 38.52 3in0 n ASN 38 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3in0 s LEU 39 N 0.00 2.14 0.88 3.41 1.43 -1.26 -5.07 118.68 120.21 3in0 s LEU 39 Ca 0.08 -0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 52.69 3in0 s LEU 39 Cb 0.09 -0.41 0.12 0.00 0.03 0.00 0.00 46.19 46.02 3in0 s LEU 39 CO -0.04 -0.01 1.09 -2.84 0.23 0.00 0.00 176.35 174.78 3in0 s PRO 40 N -0.93 1.38 0.54 1.29 0.02 -1.26 -2.72 135.00 133.32 3in0 s PRO 40 Ca -0.01 0.76 0.25 0.00 0.02 0.00 0.00 61.00 62.02 3in0 s PRO 40 Cb -0.07 -1.83 1.41 0.00 0.02 0.00 0.00 34.50 34.04 3in0 s PRO 40 CO 0.01 -2.14 2.02 -0.22 -0.33 0.00 0.00 177.00 176.33 3in0 h LYS 41 N -1.47 0.00 0.00 5.54 3.64 -1.87 -1.16 116.57 121.25 3in0 h LYS 41 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3in0 h LYS 41 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3in0 h LYS 41 CO 0.56 0.00 0.00 0.27 -2.27 0.00 0.00 179.45 178.01 3in0 n ASN 42 N -4.31 0.00 0.00 4.20 6.94 -1.26 -1.17 115.26 119.66 3in0 n ASN 42 Ca 0.08 0.15 0.00 0.00 -0.02 0.00 0.00 54.58 54.79 3in0 n ASN 42 Cb 0.53 -0.36 0.00 0.00 -2.36 0.00 0.00 39.78 37.59 3in0 n ASN 42 CO 0.00 0.00 0.00 0.55 -1.03 0.00 0.00 177.26 176.78 3in0 n VAL 43 N -1.36 0.00 -2.56 3.53 3.14 -0.48 -4.85 118.33 115.74 3in0 n VAL 43 Ca 0.09 -0.14 -0.01 0.00 -2.96 0.00 0.00 64.34 61.32 3in0 n VAL 43 Cb 0.22 1.51 0.07 0.00 -1.06 0.00 0.00 33.84 34.58 3in0 n VAL 43 CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 3in0 n MET 44 N -0.08 0.79 -0.91 1.45 0.00 -0.98 -4.99 117.12 112.40 3in0 n MET 44 Ca 0.00 -0.72 -0.32 0.00 -0.00 0.00 0.00 57.70 56.66 3in0 n MET 44 Cb 0.13 0.27 0.14 0.00 0.00 0.00 0.00 33.22 33.76 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 -0.68 1.85 0.02 -5.12 0.00 -0.32 -4.85 107.32 98.23 3in0 s GLY 45 Ca 0.05 0.65 -0.04 0.00 0.00 0.00 0.00 44.72 45.38 3in0 s GLY 45 CO -0.07 1.06 0.05 0.30 0.00 0.00 0.00 173.10 174.44 3in0 s HIS 46 N -2.50 0.20 0.41 1.90 3.76 0.40 -4.87 115.29 114.58 3in0 s HIS 46 Ca 0.68 -0.44 0.05 0.00 -0.15 0.00 0.00 55.06 55.21 3in0 s HIS 46 Cb -0.24 -0.15 -0.02 0.00 1.11 0.00 0.00 32.58 33.28 3in0 s HIS 46 CO 0.55 -0.28 0.19 0.27 -0.85 0.00 0.00 174.74 174.62 3in0 n ASN 47 N 1.25 0.78 -3.74 1.40 0.23 -1.26 0.14 115.26 114.05 3in0 n ASN 47 Ca -0.22 -3.26 -0.27 0.00 -0.53 0.00 0.00 54.58 50.30 3in0 n ASN 47 Cb 0.56 1.23 -0.17 0.00 -2.08 0.00 0.00 39.78 39.33 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 -3.21 1.03 -0.05 -2.53 -0.00 -1.26 -4.41 118.94 108.51 3in0 s TRP 48 Ca 0.26 -0.83 0.06 0.00 -0.00 0.00 0.00 56.10 55.59 3in0 s TRP 48 Cb 0.01 -1.02 -0.01 0.00 -0.00 0.00 0.00 33.47 32.45 3in0 s TRP 48 CO 0.19 -0.59 -0.22 0.08 -0.00 0.00 0.00 176.95 176.40 3in0 s VAL 49 N 1.86 1.80 -0.12 5.86 1.01 -0.08 -1.46 120.40 129.27 3in0 s VAL 49 Ca -0.01 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.05 3in0 s VAL 49 Cb -0.17 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 3in0 s VAL 49 CO -0.08 0.51 -0.16 -0.22 0.00 0.00 0.00 175.10 175.15 3in0 s LEU 50 N -0.13 2.51 0.31 3.92 2.96 -0.77 -0.91 118.68 126.57 3in0 s LEU 50 Ca -0.03 -0.41 -0.18 0.00 -0.22 0.00 0.00 54.13 53.30 3in0 s LEU 50 Cb -0.12 -1.55 0.03 0.00 0.50 0.00 0.00 46.19 45.04 3in0 s LEU 50 CO 0.03 0.15 0.70 -0.94 -1.32 0.00 0.00 176.35 174.97 3in0 s SER 51 N 0.40 -0.11 0.92 3.68 1.04 -0.75 0.51 113.70 119.39 3in0 s SER 51 Ca -0.13 -0.84 -0.11 0.00 0.48 0.00 0.00 55.95 55.35 3in0 s SER 51 Cb -0.16 0.74 0.14 0.00 0.10 0.00 0.00 66.02 66.84 3in0 s SER 51 CO 0.06 -1.42 1.10 0.42 0.98 0.00 0.00 173.24 174.38 3in0 s THR 52 N -3.43 2.54 0.41 2.02 -4.23 -1.26 -1.30 115.64 110.40 3in0 s THR 52 Ca 0.15 0.18 0.10 0.00 -1.18 0.00 0.00 61.69 60.93 3in0 s THR 52 Cb -0.05 -2.47 0.30 0.00 1.34 0.00 0.00 72.50 71.62 3in0 s THR 52 CO 0.09 -0.23 2.00 0.00 -0.54 0.00 0.00 174.62 175.95 3in0 h ALA 53 N -1.71 1.85 0.08 3.99 0.00 -1.59 -2.95 119.26 118.92 3in0 h ALA 53 Ca -0.48 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.12 3in0 h ALA 53 Cb 1.28 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.96 3in0 h ALA 53 CO 0.50 0.06 -1.16 0.00 0.00 0.00 0.00 179.25 178.65 3in0 h ALA 54 N 1.70 0.08 0.00 0.00 0.00 -1.89 -3.27 119.26 115.87 3in0 h ALA 54 Ca 0.24 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3in0 h ALA 54 Cb 0.27 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3in0 h ALA 54 CO -0.07 0.72 0.00 -0.25 0.00 0.00 0.00 179.25 179.65 3in0 n ASP 55 N -3.79 0.00 0.02 0.00 8.00 -1.12 -4.28 116.55 115.38 3in0 n ASP 55 Ca -0.12 0.19 -0.05 0.00 0.71 0.00 0.00 54.79 55.52 3in0 n ASP 55 Cb 0.95 -0.38 -0.03 0.00 -0.02 0.00 0.00 41.12 41.63 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 0.00 -0.20 -0.34 -1.24 4.05 -1.59 -1.70 114.93 113.91 3in0 h MET 56 Ca 0.00 0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.53 3in0 h MET 56 Cb 0.31 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.14 3in0 h MET 56 CO 0.00 -0.13 0.27 0.37 0.23 0.00 0.00 176.91 177.64 3in0 h GLN 57 N -0.21 0.00 0.41 0.39 5.75 -1.84 0.29 115.11 119.90 3in0 h GLN 57 Ca 0.00 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 3in0 h GLN 57 Cb 0.22 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.78 3in0 h GLN 57 CO -0.11 0.00 -0.20 0.78 -2.65 0.00 0.00 178.83 176.65 3in0 h GLY 58 N 0.00 -0.58 0.18 2.39 0.00 -1.70 0.30 103.07 103.67 3in0 h GLY 58 Ca 0.16 0.22 0.06 0.00 0.00 0.00 0.00 47.33 47.77 3in0 h GLY 58 CO -0.00 -0.21 -0.21 -2.08 0.00 0.00 0.00 176.54 174.04 3in0 h VAL 59 N -0.66 0.44 -0.30 4.60 2.07 0.36 0.52 116.25 123.29 3in0 h VAL 59 Ca -0.06 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.49 3in0 h VAL 59 Cb 0.48 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3in0 h VAL 59 CO 0.09 0.00 0.13 0.58 0.02 0.00 0.00 177.57 178.40 3in0 h VAL 60 N -0.20 0.97 -0.06 2.57 2.07 -0.87 1.44 116.25 122.16 3in0 h VAL 60 Ca 0.14 -0.10 -0.12 0.00 0.82 0.00 0.00 66.70 67.44 3in0 h VAL 60 Cb 0.42 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3in0 h VAL 60 CO -0.38 0.05 -0.52 0.74 0.02 0.00 0.00 177.57 177.49 3in0 h THR 61 N 0.29 1.36 0.00 2.57 2.02 0.57 0.81 112.91 120.52 3in0 h THR 61 Ca 0.13 -1.78 -0.00 0.00 0.77 0.00 0.00 66.41 65.52 3in0 h THR 61 Cb 0.06 1.89 -0.00 0.00 -1.74 0.00 0.00 68.15 68.36 3in0 h THR 61 CO -0.10 0.52 -0.81 0.44 0.37 0.00 0.00 175.52 175.94 3in0 h ASP 62 N 0.13 0.00 -0.03 4.18 5.19 0.20 -3.18 116.42 122.92 3in0 h ASP 62 Ca 0.00 0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 56.19 3in0 h ASP 62 Cb 0.96 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.49 3in0 h ASP 62 CO 0.08 0.02 -0.84 1.23 -3.12 0.00 0.00 179.24 176.60 3in0 h GLY 63 N 3.99 0.69 0.93 2.75 0.00 0.25 -2.93 103.07 108.75 3in0 h GLY 63 Ca -0.00 -1.16 -0.00 0.00 0.00 0.00 0.00 47.33 46.17 3in0 h GLY 63 CO 0.00 1.02 0.08 -0.33 0.00 0.00 0.00 176.54 177.31 3in0 h MET 64 N 0.25 0.21 0.00 4.80 2.86 0.53 -2.57 114.93 121.01 3in0 h MET 64 Ca -0.10 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 3in0 h MET 64 Cb 1.51 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 33.13 3in0 h MET 64 CO 0.17 0.23 -0.07 0.00 1.06 0.00 0.00 176.91 178.30 3in0 h ALA 65 N 0.97 1.70 0.00 6.32 0.00 -1.64 -2.34 119.26 124.26 3in0 h ALA 65 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3in0 h ALA 65 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3in0 h ALA 65 CO -0.01 0.08 0.00 0.77 0.00 0.00 0.00 179.25 180.09 3in0 h SER 66 N 0.00 0.00 -3.92 0.00 0.02 -1.26 -3.49 113.55 104.90 3in0 h SER 66 Ca -0.00 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 3in0 h SER 66 Cb 0.13 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 3in0 h SER 66 CO 0.01 0.00 -0.11 0.61 -1.14 0.00 0.00 176.83 176.20 3in0 n GLY 67 N 0.39 -1.91 0.25 -3.77 0.00 -0.88 -3.98 105.19 95.28 3in0 n GLY 67 Ca 0.02 -1.45 0.05 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.18 0.10 -2.18 0.99 5.85 -1.91 0.39 115.31 118.36 3in0 h LEU 68 Ca -0.01 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3in0 h LEU 68 Cb 0.18 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 3in0 h LEU 68 CO 0.01 0.19 -0.06 -2.24 -0.34 0.00 0.00 178.44 176.00 3in0 h ASP 69 N 0.11 0.00 -0.27 1.25 3.04 -2.01 -0.88 116.42 117.65 3in0 h ASP 69 Ca 0.02 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.81 3in0 h ASP 69 Cb 0.20 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.49 3in0 h ASP 69 CO 0.01 0.06 0.00 0.29 -2.04 0.00 0.00 179.24 177.56 3in0 n LYS 70 N -3.44 2.84 -3.33 4.15 4.76 -0.85 -4.97 118.16 117.32 3in0 n LYS 70 Ca -0.02 -2.46 -0.24 0.00 -2.87 0.00 0.00 58.31 52.72 3in0 n LYS 70 Cb 0.19 -1.57 0.04 0.00 -1.84 0.00 0.00 35.03 31.85 3in0 n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3in0 n ASP 71 N -0.15 -5.56 -4.05 4.39 9.92 -0.34 -2.94 116.55 117.81 3in0 n ASP 71 Ca 0.16 -0.43 -0.27 0.00 -0.53 0.00 0.00 54.79 53.72 3in0 n ASP 71 Cb 0.67 -4.47 -0.04 0.00 -0.64 0.00 0.00 41.12 36.64 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 -4.54 -1.54 -3.79 1.24 4.01 0.13 -4.68 117.16 108.01 3in0 n TYR 72 Ca -0.05 0.69 -0.13 0.00 -0.16 0.00 0.00 57.90 58.26 3in0 n TYR 72 Cb 0.58 -3.46 -0.14 0.00 -0.31 0.00 0.00 39.34 36.02 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 -7.08 1.12 0.23 7.72 1.43 -1.15 -4.36 118.68 116.59 3in0 s LEU 73 Ca 0.01 0.27 -0.31 0.00 -1.03 0.00 0.00 54.13 53.07 3in0 s LEU 73 Cb -0.01 0.39 -0.12 0.00 0.03 0.00 0.00 46.19 46.48 3in0 s LEU 73 CO 0.92 -0.10 1.68 -0.75 0.23 0.00 0.00 176.35 178.34 3in0 s LYS 74 N 0.63 4.12 -0.07 1.70 2.36 -1.26 -4.83 119.74 122.39 3in0 s LYS 74 Ca -0.05 2.60 -0.29 0.00 -2.55 0.00 0.00 55.97 55.68 3in0 s LYS 74 Cb -0.06 -3.06 -0.06 0.00 -1.05 0.00 0.00 37.83 33.60 3in0 s LYS 74 CO -0.03 -0.72 1.83 -2.14 1.55 0.00 0.00 175.35 175.85 3in0 s PRO 75 N 0.69 3.96 -0.43 4.03 0.02 -1.26 -2.13 135.00 139.88 3in0 s PRO 75 Ca 0.71 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.96 3in0 s PRO 75 Cb -0.49 -4.11 0.00 0.00 0.02 0.00 0.00 34.50 29.92 3in0 s PRO 75 CO 0.37 -1.13 0.00 -0.25 -0.33 0.00 0.00 177.00 175.65 3in0 n ASP 76 N 8.12 -3.89 -4.37 2.53 8.00 -1.26 -4.90 116.55 120.78 3in0 n ASP 76 Ca 0.20 0.10 -0.53 0.00 0.71 0.00 0.00 54.79 55.27 3in0 n ASP 76 Cb 0.43 -1.74 -0.10 0.00 -0.02 0.00 0.00 41.12 39.69 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 0.39 1.31 0.27 -2.24 -0.08 -0.90 -4.80 116.55 110.50 3in0 n ASP 77 Ca -0.04 0.45 0.17 0.00 -1.51 0.00 0.00 54.79 53.86 3in0 n ASP 77 Cb 0.20 -1.08 0.91 0.00 2.34 0.00 0.00 41.12 43.50 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 11.21 0.00 0.47 1.67 4.64 -1.91 0.11 113.55 129.74 3in0 h SER 78 Ca -0.17 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.07 3in0 h SER 78 Cb 1.36 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.44 3in0 h SER 78 CO 1.10 0.00 -0.39 0.03 -0.87 0.00 0.00 176.83 176.70 3in0 h ARG 79 N 0.00 0.00 -6.37 4.77 3.08 -1.98 -3.44 114.38 110.44 3in0 h ARG 79 Ca 0.03 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.54 3in0 h ARG 79 Cb 0.21 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 3in0 h ARG 79 CO -0.00 0.39 0.59 0.08 -1.07 0.00 0.00 179.97 179.96 3in0 s VAL 80 N -4.02 4.36 -0.14 2.04 1.01 0.37 -4.49 120.40 119.52 3in0 s VAL 80 Ca -0.02 1.68 0.08 0.00 0.00 0.00 0.00 61.98 63.71 3in0 s VAL 80 Cb 0.14 -4.08 -0.23 0.00 0.00 0.00 0.00 36.38 32.20 3in0 s VAL 80 CO 0.71 0.06 0.29 -0.38 0.00 0.00 0.00 175.10 175.78 3in0 n ILE 81 N 4.29 1.57 -3.68 2.22 5.41 0.18 -4.97 119.36 124.39 3in0 n ILE 81 Ca 0.09 -0.74 -0.08 0.00 1.00 0.00 0.00 62.75 63.02 3in0 n ILE 81 Cb 0.47 -1.12 -0.02 0.00 -0.71 0.00 0.00 39.64 38.26 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 -2.55 -1.46 -0.30 -1.39 0.00 -1.23 -4.99 121.76 109.85 3in0 s ALA 82 Ca -0.15 0.12 -0.22 0.00 0.00 0.00 0.00 51.96 51.71 3in0 s ALA 82 Cb 0.07 0.78 0.20 0.00 0.00 0.00 0.00 23.12 24.18 3in0 s ALA 82 CO 0.77 -0.93 1.39 -3.38 0.00 0.00 0.00 175.76 173.61 3in0 s HIS 83 N -3.69 -0.05 1.09 0.00 -3.43 -1.24 -1.84 115.29 106.13 3in0 s HIS 83 Ca 0.08 0.12 -0.18 0.00 -0.80 0.00 0.00 55.06 54.27 3in0 s HIS 83 Cb -0.03 0.33 0.26 0.00 -1.43 0.00 0.00 32.58 31.71 3in0 s HIS 83 CO -0.01 -0.03 1.16 0.25 -2.00 0.00 0.00 174.74 174.12 3in0 n THR 84 N 2.09 0.00 -2.30 -5.38 -2.24 -0.53 -4.90 114.28 101.01 3in0 n THR 84 Ca -0.13 -0.68 -0.25 0.00 -2.27 0.00 0.00 64.05 60.73 3in0 n THR 84 Cb 0.57 -1.36 0.07 0.00 -2.10 0.00 0.00 70.33 67.51 3in0 n THR 84 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3in0 s LYS 85 N -5.59 2.11 0.09 -0.78 -2.85 -1.26 -4.51 119.74 106.95 3in0 s LYS 85 Ca 0.71 -0.45 -0.31 0.00 -1.00 0.00 0.00 55.97 54.92 3in0 s LYS 85 Cb -0.05 -2.22 -0.07 0.00 -2.06 0.00 0.00 37.83 33.43 3in0 s LYS 85 CO 0.52 -1.24 1.38 -1.17 0.10 0.00 0.00 175.35 174.95 3in0 s LEU 86 N -5.19 4.36 0.07 2.77 2.96 -1.26 -4.38 118.68 118.02 3in0 s LEU 86 Ca 0.61 2.27 0.10 0.00 -0.22 0.00 0.00 54.13 56.89 3in0 s LEU 86 Cb -0.10 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 3in0 s LEU 86 CO 0.44 -0.65 -0.26 0.27 -1.32 0.00 0.00 176.35 174.82 3in0 s ILE 87 N 1.34 2.15 0.00 6.68 -4.36 0.37 -4.87 121.20 122.51 3in0 s ILE 87 Ca 0.64 -1.51 0.00 0.00 -0.26 0.00 0.00 60.65 59.52 3in0 s ILE 87 Cb -0.35 -1.87 0.00 0.00 1.25 0.00 0.00 42.46 41.49 3in0 s ILE 87 CO 0.30 0.26 0.00 0.61 0.24 0.00 0.00 174.94 176.35 3in0 n GLY 88 N 1.47 4.19 3.75 6.27 0.00 -1.26 0.15 105.19 119.76 3in0 n GLY 88 Ca -0.17 -1.91 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 3in0 n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3in0 s SER 89 N 0.14 6.49 0.00 1.61 0.01 -1.10 -3.37 113.70 117.48 3in0 s SER 89 Ca 0.00 2.82 0.00 0.00 1.31 0.00 0.00 55.95 60.08 3in0 s SER 89 Cb 0.00 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.60 3in0 s SER 89 CO 0.00 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.43 3in0 n GLY 90 N 2.34 0.80 3.20 3.44 0.00 -1.20 -4.95 105.19 108.83 3in0 n GLY 90 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.44 -3.63 1.61 1.02 -1.22 -4.78 120.64 111.21 3in0 n GLU 91 Ca 0.00 -0.71 -0.04 0.00 -0.02 0.00 0.00 57.16 56.39 3in0 n GLU 91 Cb 0.00 -1.71 -0.06 0.00 -0.02 0.00 0.00 31.44 29.66 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 -3.79 0.62 0.03 3.49 2.47 -1.26 -3.64 119.74 117.65 3in0 s LYS 92 Ca 0.53 1.27 0.07 0.00 -1.56 0.00 0.00 55.97 56.28 3in0 s LYS 92 Cb -0.11 0.47 -0.02 0.00 -1.46 0.00 0.00 37.83 36.70 3in0 s LYS 92 CO 0.55 -0.17 -0.21 0.34 0.16 0.00 0.00 175.35 176.02 3in0 s ASP 93 N 2.21 2.54 -0.06 1.43 2.15 -0.38 -5.01 116.67 119.54 3in0 s ASP 93 Ca -0.08 -0.49 0.04 0.00 0.43 0.00 0.00 52.55 52.46 3in0 s ASP 93 Cb -0.08 -0.23 -0.02 0.00 -0.30 0.00 0.00 42.92 42.29 3in0 s ASP 93 CO -0.19 0.20 -0.19 -0.44 -0.17 0.00 0.00 175.17 174.37 3in0 s SER 94 N -0.98 3.57 0.12 -0.34 0.01 -1.26 -0.73 113.70 114.09 3in0 s SER 94 Ca 0.08 -0.36 0.04 0.00 1.31 0.00 0.00 55.95 57.02 3in0 s SER 94 Cb -0.09 -0.90 -0.04 0.00 0.21 0.00 0.00 66.02 65.21 3in0 s SER 94 CO 0.01 0.28 -0.11 0.54 0.41 0.00 0.00 173.24 174.37 3in0 s VAL 95 N -0.35 1.08 0.03 3.43 0.11 0.15 -4.93 120.40 119.91 3in0 s VAL 95 Ca 0.03 -1.80 0.03 0.00 -2.93 0.00 0.00 61.98 57.30 3in0 s VAL 95 Cb -0.12 -1.56 -0.02 0.00 -1.53 0.00 0.00 36.38 33.15 3in0 s VAL 95 CO 0.02 -0.61 -0.08 -0.89 -3.33 0.00 0.00 175.10 170.21 3in0 s THR 96 N -2.72 0.62 0.01 5.04 2.01 -1.26 -0.59 115.64 118.75 3in0 s THR 96 Ca 0.10 -0.79 -0.15 0.00 0.31 0.00 0.00 61.69 61.16 3in0 s THR 96 Cb -0.01 -0.61 0.02 0.00 0.01 0.00 0.00 72.50 71.91 3in0 s THR 96 CO 0.01 -0.14 0.31 0.72 -0.69 0.00 0.00 174.62 174.83 3in0 s PHE 97 N -0.87 -0.16 -0.15 4.92 -0.71 0.80 -4.96 117.98 116.86 3in0 s PHE 97 Ca -0.04 0.16 -0.27 0.00 -1.04 0.00 0.00 56.93 55.74 3in0 s PHE 97 Cb -0.07 0.10 -0.01 0.00 -1.21 0.00 0.00 43.02 41.83 3in0 s PHE 97 CO 0.00 -0.44 0.90 -0.51 -1.34 0.00 0.00 175.22 173.83 3in0 s ASP 98 N -1.64 7.06 0.30 1.98 1.01 -1.26 0.10 116.67 124.23 3in0 s ASP 98 Ca -0.10 1.31 0.23 0.00 0.71 0.00 0.00 52.55 54.70 3in0 s ASP 98 Cb -0.03 -2.49 1.12 0.00 1.01 0.00 0.00 42.92 42.52 3in0 s ASP 98 CO 0.01 -0.42 1.69 0.52 0.21 0.00 0.00 175.17 177.17 3in0 n VAL 99 N 4.67 0.96 -0.34 -1.27 0.31 -0.93 -2.78 118.33 118.95 3in0 n VAL 99 Ca 0.06 0.56 0.07 0.00 -0.01 0.00 0.00 64.34 65.03 3in0 n VAL 99 Cb 0.49 -1.54 0.23 0.00 -0.91 0.00 0.00 33.84 32.11 3in0 n VAL 99 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3in0 h SER 100 N 0.00 0.84 0.29 4.52 4.64 -1.89 -0.80 113.55 121.15 3in0 h SER 100 Ca 0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3in0 h SER 100 Cb 0.13 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3in0 h SER 100 CO 0.00 0.43 0.00 2.29 -0.87 0.00 0.00 176.83 178.68 3in0 n LYS 101 N -4.68 0.14 -2.86 4.77 2.85 -1.12 -4.55 118.16 112.71 3in0 n LYS 101 Ca 0.18 0.19 -0.42 0.00 -1.05 0.00 0.00 58.31 57.22 3in0 n LYS 101 Cb 0.37 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 33.21 3in0 n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3in0 s LEU 102 N -2.68 4.11 0.14 -5.58 1.43 -0.31 -5.05 118.68 110.74 3in0 s LEU 102 Ca 0.11 1.11 -0.18 0.00 -1.03 0.00 0.00 54.13 54.14 3in0 s LEU 102 Cb 0.09 -3.24 -0.07 0.00 0.03 0.00 0.00 46.19 42.99 3in0 s LEU 102 CO 0.21 -0.51 0.61 -0.75 0.23 0.00 0.00 176.35 176.14 3in0 s LYS 103 N 2.71 4.15 0.10 1.70 2.20 -1.26 -5.03 119.74 124.31 3in0 s LYS 103 Ca 0.37 0.69 -0.31 0.00 -0.36 0.00 0.00 55.97 56.36 3in0 s LYS 103 Cb -0.16 -3.04 -0.08 0.00 -1.51 0.00 0.00 37.83 33.05 3in0 s LYS 103 CO 0.08 0.52 1.36 -2.00 -0.36 0.00 0.00 175.35 174.95 3in0 s GLU 104 N -1.64 4.34 0.00 4.03 2.56 -1.26 -1.55 118.70 125.18 3in0 s GLU 104 Ca 0.36 2.03 0.00 0.00 0.00 0.00 0.00 54.97 57.35 3in0 s GLU 104 Cb -0.17 -3.27 0.00 0.00 2.00 0.00 0.00 34.13 32.69 3in0 s GLU 104 CO 0.20 -0.41 0.00 0.41 -0.56 0.00 0.00 175.26 174.90 3in0 n GLY 105 N 3.46 0.47 3.32 -1.50 0.00 -1.26 -5.04 105.19 104.63 3in0 n GLY 105 Ca 0.11 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.01 3.27 0.02 1.61 2.56 -0.59 -5.11 118.70 119.45 3in0 s GLU 106 Ca 0.00 -0.75 -0.25 0.00 0.00 0.00 0.00 54.97 53.97 3in0 s GLU 106 Cb 0.00 -2.54 -0.05 0.00 2.00 0.00 0.00 34.13 33.54 3in0 s GLU 106 CO 0.00 0.18 0.78 -0.65 -0.56 0.00 0.00 175.26 175.01 3in0 s GLN 107 N 0.40 4.50 -0.04 4.30 -0.21 -1.26 -4.75 119.66 122.60 3in0 s GLN 107 Ca -0.13 1.07 0.03 0.00 0.02 0.00 0.00 55.36 56.36 3in0 s GLN 107 Cb -0.16 -3.39 0.01 0.00 1.00 0.00 0.00 33.01 30.46 3in0 s GLN 107 CO 0.06 0.21 -0.11 0.71 -2.12 0.00 0.00 175.29 174.03 3in0 s TYR 108 N 0.21 1.25 -0.05 0.91 2.02 -1.26 -1.58 117.35 118.86 3in0 s TYR 108 Ca 0.40 -0.37 0.06 0.00 -0.37 0.00 0.00 57.07 56.80 3in0 s TYR 108 Cb -0.20 -0.89 -0.01 0.00 -0.40 0.00 0.00 41.96 40.46 3in0 s TYR 108 CO 0.23 -0.16 -0.25 -1.64 -1.57 0.00 0.00 175.55 172.16 3in0 s MET 109 N 0.31 2.45 0.23 -0.62 -1.94 -0.42 -1.43 119.30 117.88 3in0 s MET 109 Ca -0.07 -0.90 0.06 0.00 -1.71 0.00 0.00 55.69 53.08 3in0 s MET 109 Cb -0.11 -2.15 -0.04 0.00 2.01 0.00 0.00 34.83 34.54 3in0 s MET 109 CO 0.02 0.44 0.20 -0.59 -0.01 0.00 0.00 175.02 175.07 3in0 s PHE 110 N -0.30 3.15 0.05 -0.03 -0.12 -1.18 -1.81 117.98 117.73 3in0 s PHE 110 Ca 0.01 -0.08 -0.28 0.00 -0.05 0.00 0.00 56.93 56.53 3in0 s PHE 110 Cb -0.13 -1.44 0.10 0.00 -0.63 0.00 0.00 43.02 40.92 3in0 s PHE 110 CO 0.02 0.51 1.19 -0.59 -0.05 0.00 0.00 175.22 176.31 3in0 s PHE 111 N -2.04 -0.02 -0.21 3.49 -0.71 -0.09 -2.26 117.98 116.15 3in0 s PHE 111 Ca 0.33 -0.17 -0.03 0.00 -1.04 0.00 0.00 56.93 56.01 3in0 s PHE 111 Cb -0.08 0.59 -0.01 0.00 -1.21 0.00 0.00 43.02 42.31 3in0 s PHE 111 CO 0.25 -0.47 -0.06 0.00 -1.34 0.00 0.00 175.22 173.60 3in0 n THR 113 N 4.60 0.00 -0.62 0.00 -2.24 -1.26 -3.12 114.28 111.64 3in0 n THR 113 Ca -0.18 -0.12 -0.30 0.00 -2.27 0.00 0.00 64.05 61.17 3in0 n THR 113 Cb 0.51 0.41 0.19 0.00 -2.10 0.00 0.00 70.33 69.34 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 -0.67 -1.08 -1.63 -0.78 -0.02 -1.26 -4.22 135.00 125.34 3in0 n PRO 114 Ca 0.12 -0.26 -0.45 0.00 -2.02 0.00 0.00 63.50 60.88 3in0 n PRO 114 Cb 0.35 -2.26 -0.04 0.00 -0.02 0.00 0.00 33.50 31.53 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 -4.21 2.23 0.00 0.52 -0.02 -1.26 -2.42 135.00 129.84 3in0 n PRO 115 Ca 0.09 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3in0 n PRO 115 Cb 0.53 -2.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.12 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 5.02 3.27 0.11 -1.23 0.00 -1.26 -4.91 105.19 106.19 3in0 n GLY 116 Ca 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 0.00 1.61 3.86 -1.71 -3.16 115.15 115.75 3in0 h HIS 117 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3in0 h HIS 117 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 3in0 h HIS 117 CO 0.00 0.72 0.00 -1.13 0.86 0.00 0.00 177.93 178.38 3in0 n SER 118 N -3.52 0.00 0.05 2.45 3.41 -1.18 0.19 113.62 115.01 3in0 n SER 118 Ca -0.00 -0.09 -0.11 0.00 -0.26 0.00 0.00 58.87 58.41 3in0 n SER 118 Cb 0.74 -0.25 -0.13 0.00 -0.26 0.00 0.00 64.21 64.31 3in0 n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3in0 h ALA 119 N 3.00 0.41 -2.20 7.33 0.00 -1.89 -3.41 119.26 122.49 3in0 h ALA 119 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 53.82 3in0 h ALA 119 Cb 0.16 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3in0 h ALA 119 CO 0.00 1.28 0.00 1.28 0.00 0.00 0.00 179.25 181.81 3in0 n LEU 120 N -3.32 0.39 -3.98 0.00 4.32 -0.36 -4.73 117.00 109.31 3in0 n LEU 120 Ca -0.09 0.02 -0.31 0.00 -0.02 0.00 0.00 56.01 55.61 3in0 n LEU 120 Cb 1.00 -0.13 -0.12 0.00 -1.62 0.00 0.00 43.42 42.55 3in0 n LEU 120 CO 0.48 -0.13 1.30 0.00 -1.22 0.00 0.00 177.39 177.81 3in0 n GLN 121 N -1.61 0.04 -4.19 3.23 6.02 0.50 -4.77 117.38 116.61 3in0 n GLN 121 Ca 0.00 -1.32 -0.13 0.00 -0.01 0.00 0.00 57.00 55.54 3in0 n GLN 121 Cb 0.00 -3.15 -0.09 0.00 1.02 0.00 0.00 30.24 28.02 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 7.69 1.36 -0.01 -1.09 -2.85 -1.26 -2.05 119.74 121.53 3in0 s LYS 122 Ca 0.75 -1.66 -0.28 0.00 -1.00 0.00 0.00 55.97 53.78 3in0 s LYS 122 Cb 0.06 0.31 0.10 0.00 -2.06 0.00 0.00 37.83 36.24 3in0 s LYS 122 CO 0.28 -0.48 1.28 0.20 0.10 0.00 0.00 175.35 176.73 3in0 s GLY 123 N -3.18 -0.13 -0.08 0.59 0.00 -0.96 -4.77 107.32 98.78 3in0 s GLY 123 Ca 0.37 0.06 -0.02 0.00 0.00 0.00 0.00 44.72 45.12 3in0 s GLY 123 CO 0.15 5.32 0.03 -0.51 0.00 0.00 0.00 173.10 178.08 3in0 s THR 124 N -2.04 4.50 -0.16 0.90 -4.23 0.18 -3.10 115.64 111.68 3in0 s THR 124 Ca 0.29 -0.20 -0.00 0.00 -1.18 0.00 0.00 61.69 60.60 3in0 s THR 124 Cb -0.00 -2.91 -0.00 0.00 1.34 0.00 0.00 72.50 70.92 3in0 s THR 124 CO -0.01 0.59 -0.14 -0.22 -0.54 0.00 0.00 174.62 174.30 3in0 s LEU 125 N -0.96 2.51 0.01 4.79 0.20 -0.52 0.13 118.68 124.84 3in0 s LEU 125 Ca 0.14 -0.46 0.06 0.00 0.69 0.00 0.00 54.13 54.56 3in0 s LEU 125 Cb -0.11 -1.58 -0.02 0.00 -0.43 0.00 0.00 46.19 44.05 3in0 s LEU 125 CO 0.03 0.08 -0.19 -0.89 -0.29 0.00 0.00 176.35 175.10 3in0 s THR 126 N 0.85 1.48 -0.52 3.68 2.01 0.35 -3.99 115.64 119.50 3in0 s THR 126 Ca -0.04 -0.91 -0.06 0.00 0.31 0.00 0.00 61.69 60.99 3in0 s THR 126 Cb -0.15 -1.25 -0.14 0.00 0.01 0.00 0.00 72.50 70.96 3in0 s THR 126 CO -0.01 0.32 2.69 -0.11 -0.69 0.00 0.00 174.62 176.82 3in0 n LEU 127 N 2.37 5.05 0.00 4.42 0.00 -1.26 -0.28 117.00 127.30 3in0 n LEU 127 Ca -0.16 -2.94 0.00 0.00 0.00 0.00 0.00 56.01 52.91 3in0 n LEU 127 Cb 0.54 -1.16 0.00 0.00 0.00 0.00 0.00 43.42 42.80 3in0 n LEU 127 CO 0.24 1.19 0.21 1.17 0.00 0.00 0.00 177.39 180.19