#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3in2 s GLU 2 N 0.00 3.85 -0.04 0.00 -1.05 -1.26 -4.48 118.70 115.72 3in2 s GLU 2 Ca 0.00 0.54 -0.00 0.00 -0.15 0.00 0.00 54.97 55.36 3in2 s GLU 2 Cb 0.00 -2.41 0.00 0.00 -0.44 0.00 0.00 34.13 31.28 3in2 s GLU 2 CO 0.00 0.03 0.00 0.00 0.95 0.00 0.00 175.26 176.24 3in2 s SER 4 N -2.99 -0.43 -0.06 0.00 0.15 -1.26 -3.27 113.70 105.84 3in2 s SER 4 Ca 0.00 0.26 -0.02 0.00 0.70 0.00 0.00 55.95 56.89 3in2 s SER 4 Cb -0.00 0.40 0.04 0.00 -1.71 0.00 0.00 66.02 64.75 3in2 s SER 4 CO 0.03 -0.55 0.12 0.54 1.20 0.00 0.00 173.24 174.58 3in2 s VAL 5 N -2.14 -0.13 -1.05 4.45 0.11 -0.35 -4.69 120.40 116.60 3in2 s VAL 5 Ca -0.00 0.28 -0.21 0.00 -2.93 0.00 0.00 61.98 59.12 3in2 s VAL 5 Cb -0.01 -0.22 0.08 0.00 -1.53 0.00 0.00 36.38 34.70 3in2 s VAL 5 CO -0.02 0.11 1.41 -1.81 -3.33 0.00 0.00 175.10 171.46 3in2 s ASP 6 N 1.66 6.61 0.86 3.54 1.11 -1.26 -3.24 116.67 125.95 3in2 s ASP 6 Ca -0.03 -1.81 -0.12 0.00 0.18 0.00 0.00 52.55 50.77 3in2 s ASP 6 Cb -0.12 -2.52 0.14 0.00 1.07 0.00 0.00 42.92 41.49 3in2 s ASP 6 CO -0.05 -1.32 1.20 -0.51 1.18 0.00 0.00 175.17 175.68 3in2 s ILE 7 N 4.14 2.06 0.04 0.77 1.10 -1.13 -5.01 121.20 123.17 3in2 s ILE 7 Ca 0.44 -0.11 -0.28 0.00 -0.51 0.00 0.00 60.65 60.19 3in2 s ILE 7 Cb -0.01 -2.95 0.09 0.00 0.15 0.00 0.00 42.46 39.75 3in2 s ILE 7 CO -0.07 0.00 0.90 -1.10 -2.11 0.00 0.00 174.94 172.56 3in2 s GLN 8 N -5.63 0.91 0.00 3.50 -0.21 -1.26 -3.12 119.66 113.85 3in2 s GLN 8 Ca 0.68 -0.39 -0.10 0.00 0.02 0.00 0.00 55.36 55.57 3in2 s GLN 8 Cb -0.07 0.39 0.01 0.00 1.00 0.00 0.00 33.01 34.34 3in2 s GLN 8 CO 0.50 -0.41 0.21 0.20 -2.12 0.00 0.00 175.29 173.67 3in2 s GLY 9 N -2.60 -0.03 0.14 3.09 0.00 -1.07 -3.33 107.32 103.52 3in2 s GLY 9 Ca 0.07 0.01 -0.05 0.00 0.00 0.00 0.00 44.72 44.75 3in2 s GLY 9 CO -0.06 -0.16 0.16 0.54 0.00 0.00 0.00 173.10 173.58 3in2 s ASN 10 N -1.45 0.18 0.49 1.64 2.20 -1.14 -3.75 114.94 113.12 3in2 s ASN 10 Ca -0.13 -1.04 0.39 0.00 -0.94 0.00 0.00 52.86 51.14 3in2 s ASN 10 Cb -0.06 0.36 1.58 0.00 -2.00 0.00 0.00 41.25 41.13 3in2 s ASN 10 CO 0.02 -0.80 1.60 0.44 -2.94 0.00 0.00 177.10 175.41 3in2 h ASP 11 N 2.72 0.13 -0.22 3.54 3.32 -1.91 0.15 116.42 124.15 3in2 h ASP 11 Ca -0.33 0.09 -0.13 0.00 0.02 0.00 0.00 57.03 56.67 3in2 h ASP 11 Cb 1.21 0.09 -0.06 0.00 0.22 0.00 0.00 39.33 40.78 3in2 h ASP 11 CO 0.54 -0.13 0.17 0.00 -1.72 0.00 0.00 179.24 178.09 3in2 n GLN 12 N -4.40 1.32 -3.37 3.56 3.00 -1.26 -4.85 117.38 111.38 3in2 n GLN 12 Ca 0.41 -0.68 -0.22 0.00 -0.01 0.00 0.00 57.00 56.50 3in2 n GLN 12 Cb 1.70 -1.27 -0.05 0.00 0.00 0.00 0.00 30.24 30.62 3in2 n GLN 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 3in2 n MET 13 N 0.58 -0.88 -4.41 -1.09 2.81 0.53 -4.89 117.12 109.76 3in2 n MET 13 Ca 0.13 0.07 -0.19 0.00 -1.81 0.00 0.00 57.70 55.90 3in2 n MET 13 Cb 0.64 -2.46 -0.15 0.00 -0.71 0.00 0.00 33.22 30.54 3in2 n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3in2 s GLN 14 N -4.96 0.81 0.19 0.03 -0.21 -1.23 -4.46 119.66 109.84 3in2 s GLN 14 Ca 0.30 -0.35 -0.24 0.00 0.02 0.00 0.00 55.36 55.09 3in2 s GLN 14 Cb -0.17 -0.78 -0.08 0.00 1.00 0.00 0.00 33.01 32.97 3in2 s GLN 14 CO 0.59 0.20 0.77 -0.06 -2.12 0.00 0.00 175.29 174.67 3in2 s PHE 15 N -0.19 3.81 -1.39 0.91 0.40 -1.26 -2.87 117.98 117.39 3in2 s PHE 15 Ca 0.03 1.57 0.28 0.00 -0.60 0.00 0.00 56.93 58.21 3in2 s PHE 15 Cb -0.04 -2.73 1.38 0.00 0.51 0.00 0.00 43.02 42.13 3in2 s PHE 15 CO -0.00 0.44 1.94 0.27 0.70 0.00 0.00 175.22 178.57 3in2 n ASN 16 N 1.25 0.00 -3.77 1.36 6.94 -1.21 -4.71 115.26 115.13 3in2 n ASN 16 Ca -0.04 -0.05 -0.13 0.00 -0.02 0.00 0.00 54.58 54.34 3in2 n ASN 16 Cb 0.49 -0.31 -0.09 0.00 -2.36 0.00 0.00 39.78 37.52 3in2 n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3in2 s THR 17 N -2.61 0.04 -0.39 5.53 -1.32 -1.26 -5.06 115.64 110.57 3in2 s THR 17 Ca 0.25 -0.32 0.09 0.00 -1.21 0.00 0.00 61.69 60.49 3in2 s THR 17 Cb 0.18 -0.55 0.44 0.00 -1.51 0.00 0.00 72.50 71.06 3in2 s THR 17 CO 0.43 -0.18 1.09 -0.46 -2.21 0.00 0.00 174.62 173.29 3in2 n ASN 18 N 1.84 3.98 0.00 8.08 0.23 -1.26 -4.71 115.26 123.41 3in2 n ASN 18 Ca -0.19 -3.45 0.00 0.00 -0.53 0.00 0.00 54.58 50.41 3in2 n ASN 18 Cb 0.57 -0.46 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 3in2 n ASN 18 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3in2 n ALA 19 N -0.44 0.00 -3.65 -2.53 0.00 -1.26 -3.13 120.51 109.51 3in2 n ALA 19 Ca 0.33 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.62 3in2 n ALA 19 Cb 0.74 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 20.06 3in2 n ALA 19 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3in2 s ILE 20 N -2.00 -0.38 -0.21 0.00 1.01 0.49 -4.84 121.20 115.26 3in2 s ILE 20 Ca 0.00 0.26 -0.08 0.00 0.00 0.00 0.00 60.65 60.83 3in2 s ILE 20 Cb 0.00 -0.44 -0.04 0.00 0.01 0.00 0.00 42.46 41.99 3in2 s ILE 20 CO 0.00 0.10 0.09 -0.89 0.00 0.00 0.00 174.94 174.24 3in2 s THR 21 N 2.39 4.85 0.04 2.92 2.01 -1.26 0.96 115.64 127.55 3in2 s THR 21 Ca 0.02 -0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.03 3in2 s THR 21 Cb -0.12 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 3in2 s THR 21 CO -0.08 0.40 0.10 -0.69 -0.69 0.00 0.00 174.62 173.65 3in2 s VAL 22 N 0.84 4.74 -0.19 3.82 1.01 0.49 -4.91 120.40 126.20 3in2 s VAL 22 Ca 0.05 -0.54 -0.23 0.00 0.00 0.00 0.00 61.98 61.25 3in2 s VAL 22 Cb -0.13 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 3in2 s VAL 22 CO 0.02 0.24 0.74 -0.62 0.00 0.00 0.00 175.10 175.48 3in2 s ASP 23 N -2.09 6.82 0.28 3.32 -1.08 -1.26 -2.92 116.67 119.73 3in2 s ASP 23 Ca 0.27 1.00 0.13 0.00 -0.52 0.00 0.00 52.55 53.43 3in2 s ASP 23 Cb -0.12 -2.40 0.72 0.00 -1.46 0.00 0.00 42.92 39.65 3in2 s ASP 23 CO 0.19 -0.36 1.32 0.29 0.52 0.00 0.00 175.17 177.12 3in2 n LYS 24 N 5.28 0.09 0.00 4.34 5.02 -1.25 0.19 118.16 131.83 3in2 n LYS 24 Ca 0.02 0.55 0.07 0.00 -2.02 0.00 0.00 58.31 56.94 3in2 n LYS 24 Cb 0.49 -2.00 -0.06 0.00 -0.02 0.00 0.00 35.03 33.44 3in2 n LYS 24 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3in2 n SER 25 N -2.00 0.93 -4.69 4.39 7.64 -1.26 -4.94 113.62 113.70 3in2 n SER 25 Ca -0.01 -0.96 -0.51 0.00 1.01 0.00 0.00 58.87 58.39 3in2 n SER 25 Cb 0.23 0.86 -0.06 0.00 -1.01 0.00 0.00 64.21 64.24 3in2 n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3in2 n LYS 27 N 5.71 3.20 0.00 0.00 5.02 -1.26 -4.64 118.16 126.19 3in2 n LYS 27 Ca 0.23 -2.98 0.00 0.00 -2.02 0.00 0.00 58.31 53.54 3in2 n LYS 27 Cb 0.23 -1.97 0.00 0.00 -0.02 0.00 0.00 35.03 33.28 3in2 n LYS 27 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 3in2 n GLN 28 N -0.37 0.00 -2.11 1.97 7.27 -1.26 -4.62 117.38 118.26 3in2 n GLN 28 Ca 0.27 0.00 -0.28 0.00 0.07 0.00 0.00 57.00 57.06 3in2 n GLN 28 Cb 1.04 0.00 0.06 0.00 2.41 0.00 0.00 30.24 33.75 3in2 n GLN 28 CO 0.00 0.00 0.00 0.12 0.07 0.00 0.00 177.06 177.25 3in2 s PHE 29 N 0.00 3.13 -0.06 3.69 5.36 -1.00 -4.79 117.98 124.31 3in2 s PHE 29 Ca 0.00 0.73 -0.05 0.00 -0.96 0.00 0.00 56.93 56.65 3in2 s PHE 29 Cb 0.00 -3.09 0.01 0.00 -0.34 0.00 0.00 43.02 39.60 3in2 s PHE 29 CO 0.00 -1.25 0.15 0.99 -1.46 0.00 0.00 175.22 173.65 3in2 s THR 30 N -3.27 0.00 -0.29 0.12 2.01 -1.20 -1.99 115.64 111.01 3in2 s THR 30 Ca 0.58 -0.03 -0.00 0.00 0.31 0.00 0.00 61.69 62.55 3in2 s THR 30 Cb -0.11 -0.23 0.09 0.00 0.01 0.00 0.00 72.50 72.26 3in2 s THR 30 CO 0.48 -0.02 0.07 -0.69 -0.69 0.00 0.00 174.62 173.77 3in2 s VAL 31 N 0.01 1.08 -0.75 3.82 1.01 0.17 -1.21 120.40 124.53 3in2 s VAL 31 Ca -0.01 -1.41 -0.22 0.00 0.00 0.00 0.00 61.98 60.35 3in2 s VAL 31 Cb -0.01 -1.74 0.08 0.00 0.00 0.00 0.00 36.38 34.71 3in2 s VAL 31 CO 0.00 -0.56 1.05 0.20 0.00 0.00 0.00 175.10 175.80 3in2 s ASN 32 N 1.53 6.30 0.45 3.32 0.01 -1.20 -2.37 114.94 122.99 3in2 s ASN 32 Ca 0.07 -1.25 -0.24 0.00 -0.71 0.00 0.00 52.86 50.73 3in2 s ASN 32 Cb -0.18 -2.43 -0.07 0.00 0.41 0.00 0.00 41.25 38.98 3in2 s ASN 32 CO -0.19 -1.38 1.28 -0.22 -1.51 0.00 0.00 177.10 175.08 3in2 s LEU 33 N 3.88 4.08 -0.11 0.60 2.96 0.50 -2.82 118.68 127.76 3in2 s LEU 33 Ca 0.27 2.59 -0.04 0.00 -0.22 0.00 0.00 54.13 56.73 3in2 s LEU 33 Cb -0.12 -4.08 0.06 0.00 0.50 0.00 0.00 46.19 42.55 3in2 s LEU 33 CO 0.04 -1.04 0.17 -0.55 -1.32 0.00 0.00 176.35 173.65 3in2 s SER 34 N -0.95 0.95 -0.45 3.68 0.15 -1.18 -2.73 113.70 113.16 3in2 s SER 34 Ca 0.62 0.19 -0.16 0.00 0.70 0.00 0.00 55.95 57.30 3in2 s SER 34 Cb -0.36 0.27 0.05 0.00 -1.71 0.00 0.00 66.02 64.27 3in2 s SER 34 CO 0.45 -0.26 0.39 -2.28 1.20 0.00 0.00 173.24 172.74 3in2 s HIS 35 N 2.29 3.22 -0.57 3.44 2.46 -0.88 -2.61 115.29 122.64 3in2 s HIS 35 Ca 0.04 -0.75 -0.16 0.00 0.47 0.00 0.00 55.06 54.66 3in2 s HIS 35 Cb -0.13 -3.01 0.14 0.00 -0.13 0.00 0.00 32.58 29.45 3in2 s HIS 35 CO -0.07 -0.75 0.53 -1.25 -2.47 0.00 0.00 174.74 170.73 3in2 s PRO 36 N 1.78 3.05 -0.03 2.88 0.04 -1.25 -2.38 135.00 139.10 3in2 s PRO 36 Ca 0.06 -1.79 -0.30 0.00 0.04 0.00 0.00 61.00 59.01 3in2 s PRO 36 Cb -0.22 -4.31 0.11 0.00 0.04 0.00 0.00 34.50 30.12 3in2 s PRO 36 CO 0.09 -1.32 1.31 0.20 0.04 0.00 0.00 177.00 177.31 3in2 s GLY 37 N 3.43 -0.25 0.00 0.56 0.00 -1.26 -4.43 107.32 105.37 3in2 s GLY 37 Ca 0.05 0.32 0.14 0.00 0.00 0.00 0.00 44.72 45.22 3in2 s GLY 37 CO 0.02 3.55 0.77 0.70 0.00 0.00 0.00 173.10 178.14 3in2 n ASN 38 N -0.84 1.49 -4.83 1.64 4.13 -1.26 -3.72 115.26 111.87 3in2 n ASN 38 Ca -0.01 -1.24 -0.37 0.00 1.68 0.00 0.00 54.58 54.64 3in2 n ASN 38 Cb 0.60 0.44 -0.06 0.00 -1.54 0.00 0.00 39.78 39.23 3in2 n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3in2 s LEU 39 N -1.81 4.43 1.29 3.41 1.43 -1.26 -4.93 118.68 121.24 3in2 s LEU 39 Ca 0.11 1.18 -0.19 0.00 -1.03 0.00 0.00 54.13 54.20 3in2 s LEU 39 Cb 0.11 -3.10 0.32 0.00 0.03 0.00 0.00 46.19 43.55 3in2 s LEU 39 CO 0.33 0.18 1.00 -2.16 0.23 0.00 0.00 176.35 175.93 3in2 s PRO 40 N -1.55 -1.92 0.00 1.29 0.04 -1.26 -2.04 135.00 129.55 3in2 s PRO 40 Ca 0.34 0.26 0.30 0.00 0.04 0.00 0.00 61.00 61.94 3in2 s PRO 40 Cb -0.17 -1.48 1.53 0.00 0.04 0.00 0.00 34.50 34.41 3in2 s PRO 40 CO 0.19 -4.24 2.03 1.17 0.04 0.00 0.00 177.00 176.19 3in2 n LYS 41 N -5.20 0.75 0.01 4.56 0.00 -1.26 -2.68 118.16 114.34 3in2 n LYS 41 Ca 0.10 -0.12 0.11 0.00 0.00 0.00 0.00 58.31 58.40 3in2 n LYS 41 Cb 0.58 -1.50 0.01 0.00 0.00 0.00 0.00 35.03 34.13 3in2 n LYS 41 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 3in2 n ASN 42 N -1.02 0.70 0.00 3.14 6.94 -1.26 -3.75 115.26 120.00 3in2 n ASN 42 Ca 0.18 -0.51 0.00 0.00 -0.02 0.00 0.00 54.58 54.23 3in2 n ASN 42 Cb 0.22 0.81 0.00 0.00 -2.36 0.00 0.00 39.78 38.44 3in2 n ASN 42 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 3in2 n VAL 43 N -1.69 0.15 -2.68 3.53 0.31 -1.23 -4.87 118.33 111.84 3in2 n VAL 43 Ca 0.03 -0.28 -0.05 0.00 -0.01 0.00 0.00 64.34 64.03 3in2 n VAL 43 Cb 0.38 1.30 0.08 0.00 -0.91 0.00 0.00 33.84 34.69 3in2 n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 3in2 n MET 44 N -0.07 0.53 -2.56 5.55 0.00 -1.09 -4.96 117.12 114.51 3in2 n MET 44 Ca 0.00 -1.18 -0.27 0.00 -0.00 0.00 0.00 57.70 56.25 3in2 n MET 44 Cb 0.23 -0.34 0.01 0.00 0.00 0.00 0.00 33.22 33.12 3in2 n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3in2 s GLY 45 N -0.61 1.53 0.06 -5.12 0.00 -1.25 -4.68 107.32 97.25 3in2 s GLY 45 Ca 0.17 -0.53 -0.12 0.00 0.00 0.00 0.00 44.72 44.25 3in2 s GLY 45 CO -0.11 -0.34 0.26 0.30 0.00 0.00 0.00 173.10 173.21 3in2 s HIS 46 N -2.81 -0.02 -0.13 1.90 3.76 -1.26 -4.80 115.29 111.95 3in2 s HIS 46 Ca 0.49 -0.21 -0.30 0.00 -0.15 0.00 0.00 55.06 54.89 3in2 s HIS 46 Cb -0.10 0.04 0.11 0.00 1.11 0.00 0.00 32.58 33.74 3in2 s HIS 46 CO 0.45 -0.50 0.89 -1.54 -0.85 0.00 0.00 174.74 173.19 3in2 s SER 47 N -2.27 -0.47 -0.42 1.40 1.04 -1.26 -3.41 113.70 108.30 3in2 s SER 47 Ca -0.03 0.53 -0.16 0.00 0.48 0.00 0.00 55.95 56.77 3in2 s SER 47 Cb 0.00 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.55 3in2 s SER 47 CO -0.06 -0.43 0.38 0.86 0.98 0.00 0.00 173.24 174.98 3in2 s TRP 48 N -1.09 3.20 -0.25 5.02 -0.00 -1.25 -3.46 118.94 121.10 3in2 s TRP 48 Ca -0.05 -0.46 -0.09 0.00 -0.00 0.00 0.00 56.10 55.50 3in2 s TRP 48 Cb -0.00 -2.77 -0.04 0.00 -0.00 0.00 0.00 33.47 30.66 3in2 s TRP 48 CO 0.04 -0.65 0.11 0.08 -0.00 0.00 0.00 176.95 176.53 3in2 s VAL 49 N 1.95 4.74 -0.39 5.86 1.01 -1.08 -0.72 120.40 131.77 3in2 s VAL 49 Ca 0.09 -0.03 -0.14 0.00 0.00 0.00 0.00 61.98 61.90 3in2 s VAL 49 Cb -0.18 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 32.99 3in2 s VAL 49 CO 0.12 0.32 0.27 -0.22 0.00 0.00 0.00 175.10 175.59 3in2 s LEU 50 N 1.50 4.90 -0.29 3.92 2.96 0.34 -3.13 118.68 128.90 3in2 s LEU 50 Ca 0.06 -0.79 -0.23 0.00 -0.22 0.00 0.00 54.13 52.95 3in2 s LEU 50 Cb -0.15 -2.13 0.13 0.00 0.50 0.00 0.00 46.19 44.54 3in2 s LEU 50 CO 0.06 -0.39 1.05 -0.55 -1.32 0.00 0.00 176.35 175.20 3in2 s SER 51 N 1.67 -0.43 1.06 3.68 0.15 -1.11 -0.86 113.70 117.86 3in2 s SER 51 Ca 0.05 0.80 -0.17 0.00 0.70 0.00 0.00 55.95 57.32 3in2 s SER 51 Cb -0.19 0.90 0.11 0.00 -1.71 0.00 0.00 66.02 65.14 3in2 s SER 51 CO 0.10 -0.13 0.01 0.35 1.20 0.00 0.00 173.24 174.76 3in2 n THR 52 N 2.55 0.00 0.95 6.45 -2.24 -1.26 -2.20 114.28 118.53 3in2 n THR 52 Ca -0.14 -0.15 0.13 0.00 -2.27 0.00 0.00 64.05 61.62 3in2 n THR 52 Cb 0.56 -0.50 0.40 0.00 -2.10 0.00 0.00 70.33 68.70 3in2 n THR 52 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3in2 n ALA 53 N -4.36 2.94 0.61 6.98 0.00 -1.26 -2.43 120.51 123.00 3in2 n ALA 53 Ca 0.03 -0.22 0.08 0.00 0.00 0.00 0.00 53.44 53.33 3in2 n ALA 53 Cb 0.51 -1.28 0.38 0.00 0.00 0.00 0.00 19.45 19.05 3in2 n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3in2 n ALA 54 N -1.54 1.81 -1.16 0.00 0.00 -1.26 -3.52 120.51 114.83 3in2 n ALA 54 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3in2 n ALA 54 Cb 0.35 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3in2 n ALA 54 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3in2 n ASP 55 N -1.49 0.00 0.08 0.00 8.00 -1.23 -4.93 116.55 116.97 3in2 n ASP 55 Ca 0.04 -1.00 -0.12 0.00 0.71 0.00 0.00 54.79 54.43 3in2 n ASP 55 Cb 0.20 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.25 3in2 n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 3in2 h MET 56 N 0.00 -0.28 -0.01 -1.24 1.85 -1.52 -1.55 114.93 112.18 3in2 h MET 56 Ca 0.00 0.02 0.03 0.00 -0.61 0.00 0.00 59.70 59.14 3in2 h MET 56 Cb 0.76 0.06 -0.06 0.00 0.43 0.00 0.00 31.60 32.80 3in2 h MET 56 CO 0.00 -0.19 -0.42 0.37 -0.40 0.00 0.00 176.91 176.28 3in2 h GLN 57 N -0.29 -0.54 -0.79 0.39 5.75 -1.89 -0.27 115.11 117.46 3in2 h GLN 57 Ca 0.03 0.04 0.05 0.00 -0.15 0.00 0.00 58.65 58.62 3in2 h GLN 57 Cb 0.32 0.12 -0.05 0.00 1.07 0.00 0.00 27.48 28.94 3in2 h GLN 57 CO -0.11 -0.36 0.49 0.78 -2.65 0.00 0.00 178.83 176.98 3in2 h GLY 58 N -0.56 1.17 1.98 2.39 0.00 -1.91 0.75 103.07 106.87 3in2 h GLY 58 Ca 0.05 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 3in2 h GLY 58 CO -0.32 0.28 -0.11 -2.08 0.00 0.00 0.00 176.54 174.31 3in2 h VAL 59 N 0.93 1.09 0.00 4.60 2.07 -0.92 0.36 116.25 124.39 3in2 h VAL 59 Ca 0.33 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3in2 h VAL 59 Cb 0.09 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3in2 h VAL 59 CO -0.14 0.12 0.00 0.52 0.02 0.00 0.00 177.57 178.09 3in2 n VAL 60 N -4.39 0.00 -0.27 2.57 0.31 0.10 -1.25 118.33 115.40 3in2 n VAL 60 Ca -0.02 0.92 0.27 0.00 -0.01 0.00 0.00 64.34 65.49 3in2 n VAL 60 Cb 0.19 -1.79 0.63 0.00 -0.91 0.00 0.00 33.84 31.96 3in2 n VAL 60 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3in2 h THR 61 N 0.00 0.53 -0.01 2.52 2.02 0.34 1.47 112.91 119.77 3in2 h THR 61 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3in2 h THR 61 Cb 0.00 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 3in2 h THR 61 CO 0.00 0.03 -0.17 0.47 0.37 0.00 0.00 175.52 176.22 3in2 n ASP 62 N -4.40 1.46 -0.07 4.18 9.92 0.13 -3.83 116.55 123.94 3in2 n ASP 62 Ca 0.22 -1.26 -0.20 0.00 -0.53 0.00 0.00 54.79 53.03 3in2 n ASP 62 Cb 0.96 0.12 -0.12 0.00 -0.64 0.00 0.00 41.12 41.44 3in2 n ASP 62 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 3in2 h GLY 63 N 4.88 0.07 1.23 0.44 0.00 0.34 -3.32 103.07 106.70 3in2 h GLY 63 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3in2 h GLY 63 CO 0.00 0.15 0.00 1.15 0.00 0.00 0.00 176.54 177.84 3in2 n MET 64 N -4.33 0.44 0.02 4.80 0.00 -0.44 -1.84 117.12 115.77 3in2 n MET 64 Ca -0.26 0.05 -0.12 0.00 0.00 0.00 0.00 57.70 57.37 3in2 n MET 64 Cb 0.70 -1.50 -0.14 0.00 0.00 0.00 0.00 33.22 32.28 3in2 n MET 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3in2 h ALA 65 N 3.01 0.50 -0.59 3.17 0.00 -1.69 -3.42 119.26 120.24 3in2 h ALA 65 Ca 0.00 -1.23 -0.70 0.00 0.00 0.00 0.00 54.91 52.99 3in2 h ALA 65 Cb 0.07 0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 3in2 h ALA 65 CO 0.00 1.35 2.50 0.43 0.00 0.00 0.00 179.25 183.54 3in2 n SER 66 N -3.27 4.57 0.00 0.00 7.64 -0.77 -4.93 113.62 116.86 3in2 n SER 66 Ca -0.14 -2.90 0.00 0.00 1.01 0.00 0.00 58.87 56.84 3in2 n SER 66 Cb 1.02 -1.70 0.00 0.00 -1.01 0.00 0.00 64.21 62.52 3in2 n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3in2 n GLY 67 N 4.78 0.72 0.00 0.23 0.00 -1.26 -3.22 105.19 106.43 3in2 n GLY 67 Ca 0.49 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3in2 n GLY 67 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3in2 n LEU 68 N 0.00 0.00 0.08 0.99 7.94 -1.26 -3.85 117.00 120.90 3in2 n LEU 68 Ca 0.00 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.85 3in2 n LEU 68 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 3in2 n LEU 68 CO 0.00 0.00 0.25 -2.24 -1.11 0.00 0.00 177.39 174.29 3in2 h ASP 69 N 0.00 0.01 -0.22 1.96 2.03 -2.02 -3.03 116.42 115.15 3in2 h ASP 69 Ca 0.00 -0.01 -0.09 0.00 -0.73 0.00 0.00 57.03 56.20 3in2 h ASP 69 Cb 0.19 -0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.63 3in2 h ASP 69 CO 0.00 0.89 0.12 0.29 -1.03 0.00 0.00 179.24 179.51 3in2 n LYS 70 N -3.49 1.50 -2.98 4.15 4.76 -1.22 -4.85 118.16 116.02 3in2 n LYS 70 Ca -0.00 -0.75 -0.15 0.00 -2.87 0.00 0.00 58.31 54.53 3in2 n LYS 70 Cb 0.84 -1.41 -0.01 0.00 -1.84 0.00 0.00 35.03 32.62 3in2 n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3in2 n ASP 71 N 0.11 -2.72 -4.01 4.39 9.92 -1.14 -1.23 116.55 121.87 3in2 n ASP 71 Ca 0.12 -0.05 -0.29 0.00 -0.53 0.00 0.00 54.79 54.04 3in2 n ASP 71 Cb 0.70 -2.34 -0.03 0.00 -0.64 0.00 0.00 41.12 38.82 3in2 n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 3in2 n TYR 72 N -3.36 -1.57 -3.76 1.24 4.01 -1.20 -4.86 117.16 107.66 3in2 n TYR 72 Ca -0.03 0.62 -0.14 0.00 -0.16 0.00 0.00 57.90 58.19 3in2 n TYR 72 Cb 0.54 -3.42 -0.14 0.00 -0.31 0.00 0.00 39.34 36.01 3in2 n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3in2 s LEU 73 N -7.04 0.88 -0.01 7.72 2.01 -0.37 -4.10 118.68 117.77 3in2 s LEU 73 Ca 0.10 0.26 -0.30 0.00 0.01 0.00 0.00 54.13 54.20 3in2 s LEU 73 Cb -0.04 0.32 -0.05 0.00 0.01 0.00 0.00 46.19 46.42 3in2 s LEU 73 CO 0.92 -0.13 1.39 -0.75 1.01 0.00 0.00 176.35 178.79 3in2 s LYS 74 N 1.00 4.28 0.08 1.70 2.20 -1.25 -4.60 119.74 123.16 3in2 s LYS 74 Ca -0.08 1.95 -0.31 0.00 -0.36 0.00 0.00 55.97 57.17 3in2 s LYS 74 Cb -0.10 -3.58 -0.10 0.00 -1.51 0.00 0.00 37.83 32.54 3in2 s LYS 74 CO -0.05 -0.57 1.91 -2.30 -0.36 0.00 0.00 175.35 173.98 3in2 n PRO 75 N 5.40 2.84 -3.08 4.03 -0.02 -1.26 -2.68 135.00 140.23 3in2 n PRO 75 Ca 0.13 1.04 -0.14 0.00 -2.02 0.00 0.00 63.50 62.51 3in2 n PRO 75 Cb 0.44 -2.97 0.04 0.00 -0.02 0.00 0.00 33.50 31.00 3in2 n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3in2 n ASP 76 N 6.55 -4.60 -4.67 2.55 8.00 -1.26 -4.97 116.55 118.16 3in2 n ASP 76 Ca 0.19 -0.30 -0.42 0.00 0.71 0.00 0.00 54.79 54.97 3in2 n ASP 76 Cb 0.39 -3.23 -0.03 0.00 -0.02 0.00 0.00 41.12 38.23 3in2 n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3in2 s ASP 77 N -3.13 6.57 0.46 -2.24 -1.08 -1.09 -4.86 116.67 111.31 3in2 s ASP 77 Ca 0.32 2.46 0.28 0.00 -0.52 0.00 0.00 52.55 55.10 3in2 s ASP 77 Cb -0.14 -2.54 0.92 0.00 -1.46 0.00 0.00 42.92 39.69 3in2 s ASP 77 CO 0.40 -0.96 1.81 0.77 0.52 0.00 0.00 175.17 177.72 3in2 h SER 78 N 9.43 0.00 -0.05 -0.34 4.64 -1.93 -3.17 113.55 122.14 3in2 h SER 78 Ca -0.44 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.86 3in2 h SER 78 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 3in2 h SER 78 CO 0.94 0.00 0.03 0.54 -0.87 0.00 0.00 176.83 177.47 3in2 n ARG 79 N -2.96 1.07 -3.26 4.77 1.74 -1.26 -4.39 116.66 112.36 3in2 n ARG 79 Ca 0.02 -0.15 -0.05 0.00 -0.77 0.00 0.00 57.85 56.90 3in2 n ARG 79 Cb 0.39 -1.10 -0.05 0.00 -1.02 0.00 0.00 32.46 30.68 3in2 n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3in2 s VAL 80 N -0.25 -0.75 0.26 1.55 1.01 -1.20 -4.62 120.40 116.40 3in2 s VAL 80 Ca 0.03 -0.13 0.07 0.00 0.00 0.00 0.00 61.98 61.95 3in2 s VAL 80 Cb 0.02 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 3in2 s VAL 80 CO 0.01 -0.14 1.60 0.16 0.00 0.00 0.00 175.10 176.72 3in2 h ILE 81 N 6.11 1.40 -2.80 2.22 3.07 -1.20 -3.46 117.51 122.85 3in2 h ILE 81 Ca -0.13 -1.99 -0.10 0.00 1.55 0.00 0.00 64.86 64.19 3in2 h ILE 81 Cb 1.15 2.03 -0.19 0.00 -0.27 0.00 0.00 36.82 39.54 3in2 h ILE 81 CO 0.25 0.58 -0.15 0.00 -1.05 0.00 0.00 178.15 177.78 3in2 s ALA 82 N -3.73 -1.03 0.16 0.16 0.00 -1.23 -4.94 121.76 111.14 3in2 s ALA 82 Ca -0.03 0.54 -0.20 0.00 0.00 0.00 0.00 51.96 52.28 3in2 s ALA 82 Cb 0.12 0.09 0.05 0.00 0.00 0.00 0.00 23.12 23.38 3in2 s ALA 82 CO 0.78 -0.31 0.52 -3.38 0.00 0.00 0.00 175.76 173.38 3in2 s HIS 83 N -1.44 -0.33 0.32 0.00 -3.43 -1.25 0.13 115.29 109.29 3in2 s HIS 83 Ca -0.12 0.05 0.08 0.00 -0.80 0.00 0.00 55.06 54.28 3in2 s HIS 83 Cb -0.03 0.43 -0.04 0.00 -1.43 0.00 0.00 32.58 31.51 3in2 s HIS 83 CO 0.05 -0.83 0.15 0.95 -2.00 0.00 0.00 174.74 173.06 3in2 s THR 84 N -3.80 3.32 0.90 -5.38 -4.23 0.10 -4.78 115.64 101.77 3in2 s THR 84 Ca 0.04 -1.64 -0.11 0.00 -1.18 0.00 0.00 61.69 58.79 3in2 s THR 84 Cb -0.00 -3.03 0.13 0.00 1.34 0.00 0.00 72.50 70.93 3in2 s THR 84 CO -0.10 -0.23 1.09 -0.75 -0.54 0.00 0.00 174.62 174.09 3in2 s LYS 85 N -3.84 1.23 -1.03 3.99 2.20 -1.26 -4.60 119.74 116.43 3in2 s LYS 85 Ca 0.37 0.96 -0.22 0.00 -0.36 0.00 0.00 55.97 56.72 3in2 s LYS 85 Cb -0.04 -1.79 0.07 0.00 -1.51 0.00 0.00 37.83 34.55 3in2 s LYS 85 CO 0.23 -2.30 1.41 -1.17 -0.36 0.00 0.00 175.35 173.17 3in2 s LEU 86 N -6.29 3.82 0.00 5.43 2.96 -1.26 -4.66 118.68 118.68 3in2 s LEU 86 Ca 0.64 -1.64 0.00 0.00 -0.22 0.00 0.00 54.13 52.90 3in2 s LEU 86 Cb -0.19 -2.54 0.00 0.00 0.50 0.00 0.00 46.19 43.96 3in2 s LEU 86 CO 0.57 -1.40 0.00 2.30 -1.32 0.00 0.00 176.35 176.51 3in2 n ILE 87 N 6.58 0.00 -3.23 6.68 -5.35 -1.22 -4.92 119.36 117.90 3in2 n ILE 87 Ca 0.33 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.81 3in2 n ILE 87 Cb 0.50 -1.75 0.00 0.00 -1.74 0.00 0.00 39.64 36.65 3in2 n ILE 87 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3in2 n GLY 88 N 4.37 1.46 1.52 3.28 0.00 -1.26 -4.08 105.19 110.48 3in2 n GLY 88 Ca 0.00 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.86 3in2 n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3in2 n SER 89 N -0.47 0.40 0.00 1.61 3.41 -0.86 0.14 113.62 117.84 3in2 n SER 89 Ca 0.00 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 3in2 n SER 89 Cb 0.00 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 3in2 n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3in2 n GLY 90 N 2.91 0.35 3.92 5.00 0.00 -1.00 -4.97 105.19 111.39 3in2 n GLY 90 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 3in2 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3in2 s GLU 91 N -0.72 1.70 -0.29 1.61 2.02 0.38 -4.89 118.70 118.51 3in2 s GLU 91 Ca 0.00 -0.15 -0.02 0.00 0.02 0.00 0.00 54.97 54.83 3in2 s GLU 91 Cb 0.00 -1.99 0.18 0.00 0.10 0.00 0.00 34.13 32.41 3in2 s GLU 91 CO 0.00 -1.69 0.56 0.21 0.02 0.00 0.00 175.26 174.36 3in2 s LYS 92 N -5.55 0.53 0.44 1.61 2.20 -1.26 -2.08 119.74 115.63 3in2 s LYS 92 Ca 0.64 0.94 0.03 0.00 -0.36 0.00 0.00 55.97 57.23 3in2 s LYS 92 Cb -0.09 0.40 -0.02 0.00 -1.51 0.00 0.00 37.83 36.60 3in2 s LYS 92 CO 0.49 -0.61 0.09 0.34 -0.36 0.00 0.00 175.35 175.29 3in2 s ASP 93 N 2.81 3.19 0.00 1.43 2.15 -1.11 -4.98 116.67 120.16 3in2 s ASP 93 Ca 0.19 -1.66 0.00 0.00 0.43 0.00 0.00 52.55 51.51 3in2 s ASP 93 Cb -0.15 0.48 0.00 0.00 -0.30 0.00 0.00 42.92 42.95 3in2 s ASP 93 CO -0.20 -0.89 0.00 -1.20 -0.17 0.00 0.00 175.17 172.71 3in2 n SER 94 N -1.27 0.00 0.00 -0.34 7.64 -1.26 0.19 113.62 118.57 3in2 n SER 94 Ca -0.10 -0.29 0.00 0.00 1.01 0.00 0.00 58.87 59.50 3in2 n SER 94 Cb 0.66 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 3in2 n SER 94 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 3in2 n VAL 95 N 0.00 0.00 -4.28 0.44 3.14 -1.00 -4.50 118.33 112.13 3in2 n VAL 95 Ca 0.00 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.09 3in2 n VAL 95 Cb 0.00 0.00 -0.17 0.00 -1.06 0.00 0.00 33.84 32.61 3in2 n VAL 95 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 3in2 s THR 96 N -1.44 1.47 0.39 1.55 2.01 -1.26 0.44 115.64 118.80 3in2 s THR 96 Ca 0.00 -0.61 0.08 0.00 0.31 0.00 0.00 61.69 61.47 3in2 s THR 96 Cb 0.00 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 3in2 s THR 96 CO 0.00 0.44 0.20 0.72 -0.69 0.00 0.00 174.62 175.28 3in2 s PHE 97 N 1.19 2.66 -0.20 4.92 -0.71 -0.84 -4.92 117.98 120.07 3in2 s PHE 97 Ca -0.02 -0.49 -0.28 0.00 -1.04 0.00 0.00 56.93 55.09 3in2 s PHE 97 Cb -0.14 -1.87 0.00 0.00 -1.21 0.00 0.00 43.02 39.80 3in2 s PHE 97 CO -0.05 0.20 0.98 -0.51 -1.34 0.00 0.00 175.22 174.50 3in2 s ASP 98 N -3.92 7.08 -0.01 1.98 1.11 -1.26 -2.38 116.67 119.27 3in2 s ASP 98 Ca 0.41 1.34 0.01 0.00 0.18 0.00 0.00 52.55 54.49 3in2 s ASP 98 Cb 0.00 -2.52 0.04 0.00 1.07 0.00 0.00 42.92 41.51 3in2 s ASP 98 CO 0.23 -0.57 0.77 0.52 1.18 0.00 0.00 175.17 177.31 3in2 n VAL 99 N 5.08 0.11 0.56 -1.27 0.31 -1.26 -1.03 118.33 120.82 3in2 n VAL 99 Ca 0.10 -0.07 0.10 0.00 -0.01 0.00 0.00 64.34 64.46 3in2 n VAL 99 Cb 0.47 -0.26 -0.14 0.00 -0.91 0.00 0.00 33.84 33.00 3in2 n VAL 99 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3in2 n SER 100 N -0.15 0.62 0.14 4.52 3.41 -1.26 -4.00 113.62 116.91 3in2 n SER 100 Ca 0.01 -0.58 0.04 0.00 -0.26 0.00 0.00 58.87 58.09 3in2 n SER 100 Cb 0.18 1.41 0.04 0.00 -0.26 0.00 0.00 64.21 65.58 3in2 n SER 100 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3in2 h LYS 101 N 0.00 0.00 -5.53 4.33 1.79 -1.49 -3.43 116.57 112.24 3in2 h LYS 101 Ca 0.00 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.84 3in2 h LYS 101 Cb 0.69 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.20 3in2 h LYS 101 CO 0.00 0.41 0.47 -1.17 -1.08 0.00 0.00 179.45 178.08 3in2 s LEU 102 N -6.37 4.38 0.00 2.94 0.20 -1.22 -5.03 118.68 113.57 3in2 s LEU 102 Ca 0.04 -0.72 -0.24 0.00 0.69 0.00 0.00 54.13 53.90 3in2 s LEU 102 Cb 0.07 -2.59 -0.05 0.00 -0.43 0.00 0.00 46.19 43.19 3in2 s LEU 102 CO 0.74 -1.26 0.71 -0.75 -0.29 0.00 0.00 176.35 175.50 3in2 s LYS 103 N 3.77 4.44 0.88 1.98 2.20 -1.26 -5.00 119.74 126.75 3in2 s LYS 103 Ca 0.24 0.94 -0.11 0.00 -0.36 0.00 0.00 55.97 56.69 3in2 s LYS 103 Cb -0.16 -3.38 0.12 0.00 -1.51 0.00 0.00 37.83 32.90 3in2 s LYS 103 CO 0.14 0.24 1.11 -2.00 -0.36 0.00 0.00 175.35 174.48 3in2 s GLU 104 N 0.17 1.35 0.00 4.03 2.12 -1.26 -3.56 118.70 121.55 3in2 s GLU 104 Ca 0.37 1.25 0.00 0.00 0.36 0.00 0.00 54.97 56.95 3in2 s GLU 104 Cb -0.19 -1.79 0.00 0.00 0.26 0.00 0.00 34.13 32.41 3in2 s GLU 104 CO 0.20 -2.30 0.00 0.41 -0.54 0.00 0.00 175.26 173.03 3in2 n GLY 105 N -0.45 0.87 3.68 -1.50 0.00 -1.26 -4.91 105.19 101.61 3in2 n GLY 105 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3in2 n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3in2 s GLU 106 N 0.00 4.24 1.06 1.61 2.12 -1.23 -4.99 118.70 121.51 3in2 s GLU 106 Ca 0.00 2.06 -0.13 0.00 0.36 0.00 0.00 54.97 57.26 3in2 s GLU 106 Cb 0.00 -3.70 0.19 0.00 0.26 0.00 0.00 34.13 30.88 3in2 s GLU 106 CO 0.00 -0.68 0.84 0.00 -0.54 0.00 0.00 175.26 174.88 3in2 n GLN 107 N 5.98 -1.43 -3.68 4.30 10.64 -1.26 -4.90 117.38 127.02 3in2 n GLN 107 Ca 0.15 -0.38 -0.14 0.00 -1.83 0.00 0.00 57.00 54.80 3in2 n GLN 107 Cb 0.43 -2.13 -0.09 0.00 -0.86 0.00 0.00 30.24 27.59 3in2 n GLN 107 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3in2 s TYR 108 N -2.46 -0.58 -0.01 2.61 2.02 -1.26 -4.20 117.35 113.48 3in2 s TYR 108 Ca 0.65 1.38 0.02 0.00 -0.37 0.00 0.00 57.07 58.75 3in2 s TYR 108 Cb -0.22 0.21 -0.00 0.00 -0.40 0.00 0.00 41.96 41.55 3in2 s TYR 108 CO 0.63 -0.31 -0.06 -1.64 -1.57 0.00 0.00 175.55 172.61 3in2 s MET 109 N 0.12 0.51 0.16 -0.62 -1.94 -0.93 -2.12 119.30 114.47 3in2 s MET 109 Ca -0.01 -0.19 0.06 0.00 -1.71 0.00 0.00 55.69 53.83 3in2 s MET 109 Cb -0.04 -0.50 -0.04 0.00 2.01 0.00 0.00 34.83 36.26 3in2 s MET 109 CO 0.01 0.09 0.09 -0.59 -0.01 0.00 0.00 175.02 174.62 3in2 s PHE 110 N 0.02 3.05 0.07 -0.03 -0.12 -1.10 -2.76 117.98 117.11 3in2 s PHE 110 Ca 0.00 -0.05 -0.10 0.00 -0.05 0.00 0.00 56.93 56.73 3in2 s PHE 110 Cb -0.04 -1.48 0.03 0.00 -0.63 0.00 0.00 43.02 40.91 3in2 s PHE 110 CO -0.00 0.52 0.47 1.97 -0.05 0.00 0.00 175.22 178.13 3in2 n PHE 111 N -0.20 -0.84 -4.99 3.49 -1.74 -1.18 -3.31 117.46 108.69 3in2 n PHE 111 Ca -0.09 -0.54 -0.32 0.00 -0.56 0.00 0.00 57.45 55.94 3in2 n PHE 111 Cb 0.55 0.26 -0.14 0.00 1.52 0.00 0.00 39.48 41.66 3in2 n PHE 111 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3in2 n THR 113 N 2.55 0.02 -1.68 0.00 -2.24 -1.26 0.14 114.28 111.81 3in2 n THR 113 Ca -0.17 -0.40 -0.54 0.00 -2.27 0.00 0.00 64.05 60.68 3in2 n THR 113 Cb 0.52 0.19 -0.06 0.00 -2.10 0.00 0.00 70.33 68.88 3in2 n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3in2 n PHE 114 N -2.11 2.14 -0.39 4.78 -0.00 -1.26 -4.23 117.46 116.38 3in2 n PHE 114 Ca -0.02 0.30 -0.06 0.00 -0.00 0.00 0.00 57.45 57.68 3in2 n PHE 114 Cb 0.52 -2.55 -0.06 0.00 -0.00 0.00 0.00 39.48 37.39 3in2 n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 3in2 n PRO 115 N 6.09 0.00 -0.56 -7.13 -0.02 -1.26 0.46 135.00 132.58 3in2 n PRO 115 Ca 0.26 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3in2 n PRO 115 Cb 0.20 -0.26 0.00 0.00 -0.02 0.00 0.00 33.50 33.42 3in2 n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3in2 n GLY 116 N 1.44 1.50 0.41 -1.23 0.00 -1.26 -5.03 105.19 101.01 3in2 n GLY 116 Ca 0.18 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.77 3in2 n GLY 116 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3in2 n HIS 117 N -1.70 0.00 -0.34 1.61 8.25 0.17 -4.54 115.22 118.67 3in2 n HIS 117 Ca 0.00 0.00 0.27 0.00 -0.26 0.00 0.00 57.72 57.73 3in2 n HIS 117 Cb 0.14 -0.65 0.57 0.00 1.12 0.00 0.00 29.99 31.17 3in2 n HIS 117 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3in2 h SER 118 N -0.59 0.34 -0.24 0.41 4.64 0.11 -0.39 113.55 117.83 3in2 h SER 118 Ca -0.45 0.08 0.06 0.00 -0.47 0.00 0.00 61.79 61.00 3in2 h SER 118 Cb 1.42 0.03 -0.08 0.00 -0.31 0.00 0.00 62.40 63.46 3in2 h SER 118 CO -0.26 0.03 -0.39 0.00 -0.87 0.00 0.00 176.83 175.34 3in2 h ALA 119 N 1.58 -0.45 0.00 5.18 0.00 -1.82 -3.32 119.26 120.43 3in2 h ALA 119 Ca 0.62 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.44 3in2 h ALA 119 Cb 1.80 0.77 -0.02 0.00 0.00 0.00 0.00 17.79 20.34 3in2 h ALA 119 CO -0.27 -0.86 -0.77 1.25 0.00 0.00 0.00 179.25 178.61 3in2 h LEU 120 N -0.40 0.00 -8.80 0.00 7.12 -1.59 -3.46 115.31 108.19 3in2 h LEU 120 Ca 0.11 -0.45 -0.61 0.00 0.13 0.00 0.00 57.88 57.06 3in2 h LEU 120 Cb 0.59 0.00 -0.11 0.00 -0.53 0.00 0.00 40.66 40.61 3in2 h LEU 120 CO -0.45 1.17 0.44 -0.76 -0.13 0.00 0.00 178.44 178.70 3in2 s LEU 121 N -8.06 4.10 0.00 2.25 1.02 -0.24 -4.88 118.68 112.86 3in2 s LEU 121 Ca -0.22 0.38 -0.25 0.00 0.02 0.00 0.00 54.13 54.06 3in2 s LEU 121 Cb 0.03 -3.08 0.08 0.00 0.02 0.00 0.00 46.19 43.24 3in2 s LEU 121 CO 0.49 -0.78 1.16 2.29 0.02 0.00 0.00 176.35 179.52 3in2 n LYS 122 N 6.54 0.31 0.00 1.70 2.85 -1.26 -3.69 118.16 124.61 3in2 n LYS 122 Ca 0.04 -0.94 0.00 0.00 -1.05 0.00 0.00 58.31 56.36 3in2 n LYS 122 Cb 0.48 1.43 0.00 0.00 -0.65 0.00 0.00 35.03 36.29 3in2 n LYS 122 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3in2 n GLY 123 N -0.83 2.15 3.69 2.58 0.00 -1.21 -4.41 105.19 107.16 3in2 n GLY 123 Ca 0.02 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 3in2 n GLY 123 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3in2 s THR 124 N -1.75 4.15 0.06 2.61 2.01 -1.18 -2.73 115.64 118.81 3in2 s THR 124 Ca 0.00 1.49 -0.05 0.00 0.31 0.00 0.00 61.69 63.45 3in2 s THR 124 Cb 0.00 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 3in2 s THR 124 CO 0.00 0.01 0.29 -0.22 -0.69 0.00 0.00 174.62 174.01 3in2 s LEU 125 N 2.14 4.33 0.15 4.42 2.96 -0.90 0.19 118.68 131.97 3in2 s LEU 125 Ca 0.57 0.51 -0.14 0.00 -0.22 0.00 0.00 54.13 54.86 3in2 s LEU 125 Cb -0.26 -2.94 0.02 0.00 0.50 0.00 0.00 46.19 43.50 3in2 s LEU 125 CO 0.23 0.17 0.39 -0.89 -1.32 0.00 0.00 176.35 174.93 3in2 s THR 126 N -1.46 0.06 -0.64 3.68 2.01 0.27 -4.06 115.64 115.51 3in2 s THR 126 Ca 0.33 -0.89 0.04 0.00 0.31 0.00 0.00 61.69 61.49 3in2 s THR 126 Cb -0.13 -1.46 0.35 0.00 0.01 0.00 0.00 72.50 71.27 3in2 s THR 126 CO 0.21 -0.29 1.11 -0.11 -0.69 0.00 0.00 174.62 174.86 3in2 n LEU 127 N -0.24 4.99 0.00 4.42 0.00 -1.26 0.19 117.00 125.10 3in2 n LEU 127 Ca -0.12 -5.58 0.00 0.00 0.00 0.00 0.00 56.01 50.30 3in2 n LEU 127 Cb 0.63 -0.65 0.00 0.00 0.00 0.00 0.00 43.42 43.40 3in2 n LEU 127 CO 0.19 2.29 0.12 2.29 0.00 0.00 0.00 177.39 182.28