#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b61 s VAL 3 N 0.00 2.32 0.32 -3.33 0.11 -1.26 -5.02 120.40 113.54 2b61 s VAL 3 Ca 0.00 0.27 -0.01 0.00 -2.93 0.00 0.00 61.98 59.31 2b61 s VAL 3 Cb 0.00 -3.15 -0.04 0.00 -1.53 0.00 0.00 36.38 31.66 2b61 s VAL 3 CO 0.00 0.02 0.53 -1.10 -3.33 0.00 0.00 175.10 171.23 2b61 s GLN 4 N -2.53 3.52 0.00 1.54 -0.21 0.44 -4.91 119.66 117.50 2b61 s GLN 4 Ca 0.63 -0.26 -0.01 0.00 0.02 0.00 0.00 55.36 55.74 2b61 s GLN 4 Cb -0.40 -2.68 -0.01 0.00 1.00 0.00 0.00 33.01 30.93 2b61 s GLN 4 CO 0.50 0.19 0.02 -0.80 -2.12 0.00 0.00 175.29 173.07 2b61 s ASN 5 N -3.75 0.07 -0.07 5.90 0.01 -1.26 -0.81 114.94 115.04 2b61 s ASN 5 Ca 0.41 -0.17 -0.05 0.00 -0.71 0.00 0.00 52.86 52.33 2b61 s ASN 5 Cb -0.10 0.09 0.03 0.00 0.41 0.00 0.00 41.25 41.67 2b61 s ASN 5 CO 0.34 -0.15 0.18 0.54 -1.51 0.00 0.00 177.10 176.50 2b61 s VAL 6 N -0.64 -0.01 -0.18 1.60 0.11 -0.80 -4.98 120.40 115.50 2b61 s VAL 6 Ca -0.07 0.05 -0.19 0.00 -2.93 0.00 0.00 61.98 58.84 2b61 s VAL 6 Cb -0.04 -0.27 -0.03 0.00 -1.53 0.00 0.00 36.38 34.51 2b61 s VAL 6 CO -0.00 0.02 0.55 -0.69 -3.33 0.00 0.00 175.10 171.65 2b61 s VAL 7 N 0.46 5.09 0.42 2.04 1.01 -1.26 -0.40 120.40 127.76 2b61 s VAL 7 Ca -0.03 1.04 0.04 0.00 0.00 0.00 0.00 61.98 63.03 2b61 s VAL 7 Cb -0.04 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 2b61 s VAL 7 CO -0.02 0.19 0.04 -0.76 0.00 0.00 0.00 175.10 174.54 2b61 s LEU 8 N 1.50 2.41 -1.45 3.92 1.43 0.67 -4.81 118.68 122.36 2b61 s LEU 8 Ca 0.26 -1.50 -0.08 0.00 -1.03 0.00 0.00 54.13 51.79 2b61 s LEU 8 Cb -0.16 -0.61 0.05 0.00 0.03 0.00 0.00 46.19 45.51 2b61 s LEU 8 CO 0.10 -0.67 0.83 0.49 0.23 0.00 0.00 176.35 177.33 2b61 n PHE 9 N -0.97 -2.09 -0.10 0.29 3.72 -1.26 -1.16 117.46 115.89 2b61 n PHE 9 Ca -0.08 0.87 -0.19 0.00 -0.05 0.00 0.00 57.45 57.99 2b61 n PHE 9 Cb 0.67 -4.07 -0.10 0.00 -0.94 0.00 0.00 39.48 35.03 2b61 n PHE 9 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 2b61 h ASP 10 N -1.97 0.00 1.10 4.37 2.03 -1.94 -0.47 116.42 119.55 2b61 h ASP 10 Ca -0.60 -0.49 0.00 0.00 -0.73 0.00 0.00 57.03 55.22 2b61 h ASP 10 Cb 1.37 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.87 2b61 h ASP 10 CO 0.63 1.37 -0.81 0.71 -1.03 0.00 0.00 179.24 180.11 2b61 h THR 11 N -1.00 0.00 -3.35 1.15 1.35 -1.99 -3.43 112.91 105.64 2b61 h THR 11 Ca -0.28 -0.91 -0.36 0.00 -0.55 0.00 0.00 66.41 64.30 2b61 h THR 11 Cb 1.18 1.49 -0.38 0.00 -1.73 0.00 0.00 68.15 68.71 2b61 h THR 11 CO -0.17 0.00 -0.74 -1.58 -0.25 0.00 0.00 175.52 172.78 2b61 s GLN 12 N -3.31 0.01 0.82 4.72 0.74 -1.26 -5.15 119.66 116.22 2b61 s GLN 12 Ca 0.02 0.31 -0.11 0.00 0.05 0.00 0.00 55.36 55.63 2b61 s GLN 12 Cb 0.10 -0.51 0.09 0.00 1.10 0.00 0.00 33.01 33.78 2b61 s GLN 12 CO 0.76 -0.29 1.12 -2.14 -0.55 0.00 0.00 175.29 174.19 2b61 s PRO 13 N 1.92 1.84 -0.21 1.67 0.02 -1.26 -4.39 135.00 134.59 2b61 s PRO 13 Ca 0.02 1.33 -0.29 0.00 0.02 0.00 0.00 61.00 62.09 2b61 s PRO 13 Cb -0.12 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.56 2b61 s PRO 13 CO -0.03 -1.98 1.01 -1.17 -0.33 0.00 0.00 177.00 174.49 2b61 s LEU 14 N -6.10 4.13 -0.21 -5.54 2.96 0.18 -4.93 118.68 109.17 2b61 s LEU 14 Ca 0.64 1.37 -0.23 0.00 -0.22 0.00 0.00 54.13 55.69 2b61 s LEU 14 Cb -0.20 -3.50 -0.02 0.00 0.50 0.00 0.00 46.19 42.98 2b61 s LEU 14 CO 0.56 -0.61 0.74 -0.89 -1.32 0.00 0.00 176.35 174.83 2b61 s THR 15 N 2.92 4.93 0.00 3.68 2.01 -1.26 -1.68 115.64 126.24 2b61 s THR 15 Ca 0.44 1.40 0.00 0.00 0.31 0.00 0.00 61.69 63.83 2b61 s THR 15 Cb -0.16 -4.04 0.00 0.00 0.01 0.00 0.00 72.50 68.31 2b61 s THR 15 CO 0.08 0.02 0.00 0.18 -0.69 0.00 0.00 174.62 174.22 2b61 n LEU 16 N 5.49 0.00 0.00 4.42 4.77 -0.47 -5.02 117.00 126.19 2b61 n LEU 16 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2b61 n LEU 16 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2b61 n LEU 16 CO 0.46 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.70 2b61 n LEU 18 N 0.00 0.00 0.00 2.23 4.77 -1.26 -4.55 117.00 118.18 2b61 n LEU 18 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2b61 n LEU 18 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2b61 n LEU 18 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2b61 n GLY 19 N 0.00 2.56 0.75 -0.72 0.00 -1.26 -5.02 105.19 101.50 2b61 n GLY 19 Ca 0.00 -1.95 0.10 0.00 0.00 0.00 0.00 46.02 44.17 2b61 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b61 n GLY 20 N 0.73 -1.78 3.21 -0.02 0.00 -1.26 -4.88 105.19 101.19 2b61 n GLY 20 Ca 0.00 -1.33 -0.10 0.00 0.00 0.00 0.00 46.02 44.59 2b61 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b61 s LYS 21 N -1.90 0.77 -0.02 1.61 1.02 -1.26 -1.37 119.74 118.60 2b61 s LYS 21 Ca 0.00 -0.71 0.03 0.00 0.02 0.00 0.00 55.97 55.31 2b61 s LYS 21 Cb 0.00 0.32 -0.00 0.00 -0.52 0.00 0.00 37.83 37.63 2b61 s LYS 21 CO 0.00 -0.24 -0.10 -0.51 -0.92 0.00 0.00 175.35 173.58 2b61 s LEU 22 N -2.34 1.88 0.23 3.17 1.43 -0.67 -4.96 118.68 117.42 2b61 s LEU 22 Ca -0.02 -0.20 0.11 0.00 -1.03 0.00 0.00 54.13 52.99 2b61 s LEU 22 Cb 0.01 -0.57 -0.05 0.00 0.03 0.00 0.00 46.19 45.61 2b61 s LEU 22 CO -0.06 0.09 -0.21 -0.44 0.23 0.00 0.00 176.35 175.97 2b61 s SER 23 N 0.02 3.30 -1.17 2.29 0.01 -1.26 -0.65 113.70 116.24 2b61 s SER 23 Ca -0.00 -0.95 -0.02 0.00 1.31 0.00 0.00 55.95 56.29 2b61 s SER 23 Cb -0.07 -0.25 -0.02 0.00 0.21 0.00 0.00 66.02 65.89 2b61 s SER 23 CO 0.00 0.03 0.95 -1.22 0.41 0.00 0.00 173.24 173.42 2b61 n TYR 24 N -0.17 -2.24 -2.73 2.43 4.02 -0.18 -4.93 117.16 113.35 2b61 n TYR 24 Ca -0.09 0.90 -0.43 0.00 -0.01 0.00 0.00 57.90 58.27 2b61 n TYR 24 Cb 0.58 -4.74 -0.03 0.00 -0.02 0.00 0.00 39.34 35.13 2b61 n TYR 24 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2b61 s ILE 25 N -3.40 4.54 0.03 -0.72 1.01 -0.31 -4.85 121.20 117.51 2b61 s ILE 25 Ca 0.13 1.42 -0.27 0.00 0.00 0.00 0.00 60.65 61.93 2b61 s ILE 25 Cb -0.02 -4.37 -0.05 0.00 0.01 0.00 0.00 42.46 38.03 2b61 s ILE 25 CO 0.74 -0.52 0.86 0.21 0.00 0.00 0.00 174.94 176.23 2b61 s ASN 26 N 1.81 7.30 -0.23 3.58 3.84 -1.26 -0.24 114.94 129.74 2b61 s ASN 26 Ca 0.41 1.56 -0.04 0.00 0.21 0.00 0.00 52.86 55.00 2b61 s ASN 26 Cb -0.12 -2.52 -0.01 0.00 -0.55 0.00 0.00 41.25 38.06 2b61 s ASN 26 CO 0.18 -0.10 -0.03 -0.69 -2.79 0.00 0.00 177.10 173.67 2b61 s VAL 27 N 0.36 3.46 -0.03 -5.21 1.01 0.46 -1.12 120.40 119.33 2b61 s VAL 27 Ca 0.44 -0.50 -0.21 0.00 0.00 0.00 0.00 61.98 61.71 2b61 s VAL 27 Cb -0.21 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 2b61 s VAL 27 CO 0.25 0.39 0.62 0.00 0.00 0.00 0.00 175.10 176.37 2b61 s ALA 28 N 1.49 3.43 0.20 5.51 0.00 -1.26 -1.90 121.76 129.23 2b61 s ALA 28 Ca 0.05 0.05 -0.15 0.00 0.00 0.00 0.00 51.96 51.92 2b61 s ALA 28 Cb -0.15 -2.81 0.01 0.00 0.00 0.00 0.00 23.12 20.17 2b61 s ALA 28 CO -0.02 0.05 0.47 1.52 0.00 0.00 0.00 175.76 177.78 2b61 s TYR 29 N 0.23 0.10 0.02 0.00 -0.85 0.01 -1.08 117.35 115.78 2b61 s TYR 29 Ca 0.33 -0.46 -0.03 0.00 -0.52 0.00 0.00 57.07 56.39 2b61 s TYR 29 Cb -0.18 0.26 -0.01 0.00 0.38 0.00 0.00 41.96 42.41 2b61 s TYR 29 CO 0.17 -0.91 0.03 -1.14 -1.52 0.00 0.00 175.55 172.18 2b61 s GLN 30 N -3.93 0.41 0.17 -3.49 2.00 0.03 -0.42 119.66 114.44 2b61 s GLN 30 Ca 0.14 -0.62 0.10 0.00 -2.00 0.00 0.00 55.36 52.98 2b61 s GLN 30 Cb -0.00 0.16 -0.04 0.00 0.80 0.00 0.00 33.01 33.92 2b61 s GLN 30 CO 0.01 -0.08 -0.21 0.95 -0.50 0.00 0.00 175.29 175.46 2b61 s THR 31 N -1.76 2.00 0.01 -0.34 -4.23 -1.26 -1.00 115.64 109.05 2b61 s THR 31 Ca -0.13 -1.90 -0.01 0.00 -1.18 0.00 0.00 61.69 58.46 2b61 s THR 31 Cb -0.07 -1.91 -0.01 0.00 1.34 0.00 0.00 72.50 71.85 2b61 s THR 31 CO -0.01 -0.20 0.02 -0.31 -0.54 0.00 0.00 174.62 173.57 2b61 s TYR 32 N -1.78 0.13 0.00 3.99 2.02 -0.30 -4.97 117.35 116.45 2b61 s TYR 32 Ca 0.16 -0.27 0.00 0.00 -0.37 0.00 0.00 57.07 56.59 2b61 s TYR 32 Cb -0.07 -0.10 0.00 0.00 -0.40 0.00 0.00 41.96 41.38 2b61 s TYR 32 CO 0.07 -0.15 0.00 0.41 -1.57 0.00 0.00 175.55 174.31 2b61 n GLY 33 N 2.04 -1.64 2.93 0.71 0.00 -1.26 -0.68 105.19 107.29 2b61 n GLY 33 Ca -0.20 -1.32 -0.25 0.00 0.00 0.00 0.00 46.02 44.24 2b61 n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b61 s THR 34 N 0.00 0.97 0.04 2.61 2.01 -1.25 -4.87 115.64 115.14 2b61 s THR 34 Ca 0.00 -0.29 -0.31 0.00 0.31 0.00 0.00 61.69 61.40 2b61 s THR 34 Cb 0.00 -0.96 -0.07 0.00 0.01 0.00 0.00 72.50 71.48 2b61 s THR 34 CO 0.00 0.34 1.49 -0.22 -0.69 0.00 0.00 174.62 175.54 2b61 s LEU 35 N 1.38 4.34 0.92 4.42 2.96 -1.26 -4.29 118.68 127.15 2b61 s LEU 35 Ca -0.02 2.28 -0.14 0.00 -0.22 0.00 0.00 54.13 56.04 2b61 s LEU 35 Cb -0.14 -3.57 0.15 0.00 0.50 0.00 0.00 46.19 43.14 2b61 s LEU 35 CO -0.04 -0.77 1.19 0.54 -1.32 0.00 0.00 176.35 175.95 2b61 s ASN 36 N 1.92 3.43 0.35 3.68 2.20 -1.26 -4.89 114.94 120.37 2b61 s ASN 36 Ca 0.67 0.73 0.06 0.00 -0.94 0.00 0.00 52.86 53.38 2b61 s ASN 36 Cb -0.35 -1.14 0.67 0.00 -2.00 0.00 0.00 41.25 38.43 2b61 s ASN 36 CO 0.29 -2.58 1.90 0.44 -2.94 0.00 0.00 177.10 174.21 2b61 h ASP 37 N -1.52 0.42 1.00 3.54 3.32 -2.04 -0.09 116.42 121.05 2b61 h ASP 37 Ca -0.47 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.50 2b61 h ASP 37 Cb 1.31 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2b61 h ASP 37 CO 0.55 0.50 0.00 -0.62 -1.72 0.00 0.00 179.24 177.95 2b61 n GLU 38 N -4.29 0.22 -2.88 3.56 4.71 -1.26 -4.91 120.64 115.78 2b61 n GLU 38 Ca 0.01 0.34 -0.20 0.00 -0.01 0.00 0.00 57.16 57.30 2b61 n GLU 38 Cb 0.24 -1.84 0.01 0.00 -1.01 0.00 0.00 31.44 28.83 2b61 n GLU 38 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2b61 n LYS 39 N -2.23 -3.39 -0.36 3.49 5.02 -0.05 -4.89 118.16 115.75 2b61 n LYS 39 Ca 0.03 0.74 0.07 0.00 -2.02 0.00 0.00 58.31 57.14 2b61 n LYS 39 Cb 0.30 -5.48 0.23 0.00 -0.02 0.00 0.00 35.03 30.07 2b61 n LYS 39 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2b61 n ASN 40 N -2.22 3.63 -0.10 4.39 0.23 -1.26 -4.50 115.26 115.43 2b61 n ASN 40 Ca -0.12 -2.45 0.10 0.00 -0.53 0.00 0.00 54.58 51.58 2b61 n ASN 40 Cb 0.61 -0.41 0.14 0.00 -2.08 0.00 0.00 39.78 38.04 2b61 n ASN 40 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2b61 n ASN 41 N 0.27 2.39 -4.74 0.53 6.94 -1.26 -4.39 115.26 115.01 2b61 n ASN 41 Ca 0.18 -3.09 -0.41 0.00 -0.02 0.00 0.00 54.58 51.24 2b61 n ASN 41 Cb 0.68 -0.43 -0.05 0.00 -2.36 0.00 0.00 39.78 37.62 2b61 n ASN 41 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2b61 s ALA 42 N -2.88 3.28 -0.07 -2.53 0.00 -1.26 -1.05 121.76 117.26 2b61 s ALA 42 Ca 0.32 0.51 0.01 0.00 0.00 0.00 0.00 51.96 52.81 2b61 s ALA 42 Cb 0.28 -3.20 0.02 0.00 0.00 0.00 0.00 23.12 20.22 2b61 s ALA 42 CO 0.03 0.02 -0.09 0.08 0.00 0.00 0.00 175.76 175.81 2b61 s VAL 43 N -0.16 0.91 -0.12 0.00 1.01 0.42 -0.02 120.40 122.44 2b61 s VAL 43 Ca 0.44 -0.32 -0.21 0.00 0.00 0.00 0.00 61.98 61.90 2b61 s VAL 43 Cb -0.23 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 2b61 s VAL 43 CO 0.28 0.32 0.59 -0.22 0.00 0.00 0.00 175.10 176.07 2b61 s LEU 44 N 0.96 4.25 -0.20 3.92 2.96 -0.59 -0.58 118.68 129.40 2b61 s LEU 44 Ca -0.10 0.94 -0.09 0.00 -0.22 0.00 0.00 54.13 54.67 2b61 s LEU 44 Cb -0.15 -2.87 -0.05 0.00 0.50 0.00 0.00 46.19 43.62 2b61 s LEU 44 CO 0.00 -0.11 0.11 -0.63 -1.32 0.00 0.00 176.35 174.40 2b61 s ILE 45 N 1.03 5.10 -0.20 6.68 1.01 0.41 -0.92 121.20 134.31 2b61 s ILE 45 Ca 0.31 0.08 -0.04 0.00 0.00 0.00 0.00 60.65 60.99 2b61 s ILE 45 Cb -0.16 -3.33 -0.02 0.00 0.01 0.00 0.00 42.46 38.96 2b61 s ILE 45 CO 0.13 0.43 -0.02 0.00 0.00 0.00 0.00 174.94 175.47 2b61 s HIS 47 N 1.09 3.52 0.26 0.00 -3.43 -1.26 -4.16 115.29 111.31 2b61 s HIS 47 Ca 0.02 1.08 -0.03 0.00 -0.80 0.00 0.00 55.06 55.33 2b61 s HIS 47 Cb -0.14 -2.71 0.06 0.00 -1.43 0.00 0.00 32.58 28.35 2b61 s HIS 47 CO 0.01 -0.72 0.36 0.00 -2.00 0.00 0.00 174.74 172.38 2b61 n ALA 48 N -2.69 -0.23 -0.21 -1.38 0.00 -1.26 -2.85 120.51 111.89 2b61 n ALA 48 Ca 0.05 -0.55 0.01 0.00 0.00 0.00 0.00 53.44 52.94 2b61 n ALA 48 Cb 0.55 0.03 0.09 0.00 0.00 0.00 0.00 19.45 20.12 2b61 n ALA 48 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2b61 h LEU 49 N 0.00 -0.42 -3.07 0.00 5.85 -1.92 -1.50 115.31 114.26 2b61 h LEU 49 Ca -0.12 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2b61 h LEU 49 Cb 0.36 0.33 0.00 0.00 0.37 0.00 0.00 40.66 41.72 2b61 h LEU 49 CO 0.10 -0.16 0.00 0.35 -0.34 0.00 0.00 178.44 178.38 2b61 n THR 50 N -5.35 1.62 -1.50 1.05 -2.24 -1.26 -5.00 114.28 101.59 2b61 n THR 50 Ca 0.09 -1.35 -0.30 0.00 -2.27 0.00 0.00 64.05 60.21 2b61 n THR 50 Cb 0.35 0.16 0.23 0.00 -2.10 0.00 0.00 70.33 68.98 2b61 n THR 50 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2b61 s GLY 51 N -1.31 1.71 0.00 3.38 0.00 -0.56 -5.10 107.32 105.43 2b61 s GLY 51 Ca 0.35 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.85 2b61 s GLY 51 CO 0.15 -0.32 0.00 2.09 0.00 0.00 0.00 173.10 175.02 2b61 n ASP 52 N -4.39 0.00 0.00 1.64 5.68 -1.26 -4.87 116.55 113.34 2b61 n ASP 52 Ca 0.16 -0.53 0.13 0.00 -0.50 0.00 0.00 54.79 54.05 2b61 n ASP 52 Cb 0.60 0.00 0.75 0.00 -1.14 0.00 0.00 41.12 41.32 2b61 n ASP 52 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2b61 n ALA 53 N -3.00 2.43 -3.71 2.12 0.00 -1.26 -4.52 120.51 112.57 2b61 n ALA 53 Ca 0.00 -0.15 -0.28 0.00 0.00 0.00 0.00 53.44 53.01 2b61 n ALA 53 Cb 0.00 -1.44 -0.11 0.00 0.00 0.00 0.00 19.45 17.91 2b61 n ALA 53 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2b61 n GLU 54 N -1.12 1.84 0.19 0.00 1.02 -1.26 -4.06 120.64 117.25 2b61 n GLU 54 Ca 0.17 -4.39 0.14 0.00 -0.02 0.00 0.00 57.16 53.06 2b61 n GLU 54 Cb 0.14 -2.19 0.57 0.00 -0.02 0.00 0.00 31.44 29.94 2b61 n GLU 54 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2b61 h PRO 55 N 5.04 0.00 -3.10 3.49 0.13 -1.92 -3.12 132.00 132.52 2b61 h PRO 55 Ca 0.17 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.15 2b61 h PRO 55 Cb 0.75 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.63 2b61 h PRO 55 CO 0.71 0.00 -0.38 -0.47 -0.23 0.00 0.00 178.00 177.63 2b61 s TYR 56 N -3.46 -0.26 0.05 1.56 5.04 -1.26 -0.90 117.35 118.13 2b61 s TYR 56 Ca 0.03 0.59 0.05 0.00 -2.44 0.00 0.00 57.07 55.31 2b61 s TYR 56 Cb 0.09 0.09 -0.02 0.00 0.35 0.00 0.00 41.96 42.47 2b61 s TYR 56 CO 0.45 -0.20 -0.15 -0.06 -1.34 0.00 0.00 175.55 174.25 2b61 s PHE 57 N -0.22 1.29 -2.02 4.97 0.08 -1.26 -4.77 117.98 116.04 2b61 s PHE 57 Ca -0.03 -0.39 0.19 0.00 0.12 0.00 0.00 56.93 56.82 2b61 s PHE 57 Cb -0.03 -0.75 0.07 0.00 -0.57 0.00 0.00 43.02 41.74 2b61 s PHE 57 CO 0.01 0.05 1.02 -0.40 -0.10 0.00 0.00 175.22 175.80 2b61 n ASP 58 N 1.68 2.17 -0.93 1.36 5.68 -1.26 -4.59 116.55 120.65 2b61 n ASP 58 Ca -0.19 -1.58 0.12 0.00 -0.50 0.00 0.00 54.79 52.63 2b61 n ASP 58 Cb 0.54 0.24 0.10 0.00 -1.14 0.00 0.00 41.12 40.87 2b61 n ASP 58 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2b61 n ASP 59 N 0.48 2.95 0.00 -1.12 5.68 -1.26 -4.94 116.55 118.34 2b61 n ASP 59 Ca 0.09 -1.96 0.00 0.00 -0.50 0.00 0.00 54.79 52.42 2b61 n ASP 59 Cb 0.43 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 2b61 n ASP 59 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2b61 n GLY 60 N 1.31 1.16 3.78 6.12 0.00 -1.26 -5.12 105.19 111.18 2b61 n GLY 60 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2b61 n GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2b61 s ARG 61 N 0.00 2.87 -0.27 1.61 0.52 -1.26 -5.04 118.95 117.38 2b61 s ARG 61 Ca 0.00 1.28 -0.06 0.00 -0.52 0.00 0.00 55.73 56.43 2b61 s ARG 61 Cb 0.00 -1.97 -0.00 0.00 0.52 0.00 0.00 34.95 33.50 2b61 s ARG 61 CO 0.00 -1.18 0.05 -0.51 0.02 0.00 0.00 175.30 173.69 2b61 s ASP 62 N -2.84 4.97 0.87 0.23 -0.00 -1.26 -4.32 116.67 114.31 2b61 s ASP 62 Ca 0.65 -0.50 -0.13 0.00 -0.00 0.00 0.00 52.55 52.57 2b61 s ASP 62 Cb -0.18 -1.86 0.14 0.00 -0.00 0.00 0.00 42.92 41.02 2b61 s ASP 62 CO 0.43 -0.11 1.22 -0.83 -0.00 0.00 0.00 175.17 175.88 2b61 s GLY 63 N 1.53 1.71 0.37 0.21 0.00 -1.26 -4.93 107.32 104.96 2b61 s GLY 63 Ca 0.04 -1.05 0.27 0.00 0.00 0.00 0.00 44.72 43.99 2b61 s GLY 63 CO 0.02 -0.42 1.82 0.11 0.00 0.00 0.00 173.10 174.63 2b61 h TRP 64 N -1.27 0.00 0.00 1.90 5.08 -1.45 -1.96 115.95 118.26 2b61 h TRP 64 Ca -0.44 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.51 2b61 h TRP 64 Cb 1.27 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 27.39 2b61 h TRP 64 CO -0.48 0.00 -0.47 1.87 -1.28 0.00 0.00 178.44 178.08 2b61 n TRP 65 N -2.52 0.00 -0.20 0.12 -0.00 -0.08 -4.95 117.44 109.81 2b61 n TRP 65 Ca 0.01 -1.22 -0.05 0.00 -0.00 0.00 0.00 57.50 56.24 2b61 n TRP 65 Cb 0.22 -0.21 0.01 0.00 -0.00 0.00 0.00 31.31 31.33 2b61 n TRP 65 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 177.69 178.06 2b61 h GLN 66 N 0.77 -0.14 0.00 5.87 5.75 -0.82 -0.90 115.11 125.63 2b61 h GLN 66 Ca -0.03 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 2b61 h GLN 66 Cb 1.13 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.71 2b61 h GLN 66 CO 0.01 -0.10 0.00 0.09 -2.65 0.00 0.00 178.83 176.19 2b61 n ASN 67 N -5.44 0.00 -1.96 -0.69 3.02 -1.26 -4.70 115.26 104.23 2b61 n ASN 67 Ca 0.04 -0.89 0.01 0.00 -0.03 0.00 0.00 54.58 53.71 2b61 n ASN 67 Cb 0.35 -0.03 0.36 0.00 -0.61 0.00 0.00 39.78 39.86 2b61 n ASN 67 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2b61 n PHE 68 N -1.03 2.28 -1.01 3.10 3.01 -0.35 -4.94 117.46 118.53 2b61 n PHE 68 Ca 0.23 -0.94 0.00 0.00 1.01 0.00 0.00 57.45 57.74 2b61 n PHE 68 Cb 0.12 -0.60 0.00 0.00 -0.01 0.00 0.00 39.48 38.99 2b61 n PHE 68 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2b61 n GLY 70 N 0.28 -2.22 3.63 1.37 0.00 -0.74 -1.26 105.19 106.25 2b61 n GLY 70 Ca 0.34 -1.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.06 2b61 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b61 s ALA 71 N -1.53 3.12 0.00 4.61 0.00 -1.26 -1.93 121.76 124.77 2b61 s ALA 71 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 51.96 52.93 2b61 s ALA 71 Cb 0.00 -3.96 0.00 0.00 0.00 0.00 0.00 23.12 19.16 2b61 s ALA 71 CO 0.00 -2.22 0.00 0.41 0.00 0.00 0.00 175.76 173.95 2b61 n GLY 72 N 5.16 0.99 3.95 0.00 0.00 -1.26 -4.96 105.19 109.08 2b61 n GLY 72 Ca 0.25 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 2b61 n GLY 72 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2b61 s LEU 73 N 0.00 2.96 0.21 0.99 1.43 -0.81 -4.96 118.68 118.49 2b61 s LEU 73 Ca 0.00 0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 53.15 2b61 s LEU 73 Cb 0.00 -2.77 0.29 0.00 0.03 0.00 0.00 46.19 43.74 2b61 s LEU 73 CO 0.00 -1.62 1.67 0.00 0.23 0.00 0.00 176.35 176.64 2b61 h ALA 74 N -0.49 0.62 -1.75 4.21 0.00 -1.85 -2.06 119.26 117.94 2b61 h ALA 74 Ca -0.42 0.17 -0.71 0.00 0.00 0.00 0.00 54.91 53.95 2b61 h ALA 74 Cb 1.30 0.29 -0.17 0.00 0.00 0.00 0.00 17.79 19.21 2b61 h ALA 74 CO 0.53 -0.38 1.16 -0.51 0.00 0.00 0.00 179.25 180.04 2b61 s LEU 75 N -10.64 4.98 -0.57 0.00 1.43 -0.39 -4.38 118.68 109.11 2b61 s LEU 75 Ca -0.13 -2.52 -0.24 0.00 -1.03 0.00 0.00 54.13 50.20 2b61 s LEU 75 Cb 0.18 -2.41 0.04 0.00 0.03 0.00 0.00 46.19 44.04 2b61 s LEU 75 CO 0.74 -0.92 0.97 -0.62 0.23 0.00 0.00 176.35 176.75 2b61 s ASP 76 N 3.28 6.33 0.00 2.29 -1.08 -0.78 -1.79 116.67 124.93 2b61 s ASP 76 Ca 0.39 -0.38 0.20 0.00 -0.52 0.00 0.00 52.55 52.24 2b61 s ASP 76 Cb -0.03 -2.44 0.94 0.00 -1.46 0.00 0.00 42.92 39.92 2b61 s ASP 76 CO -0.04 -1.27 1.64 0.35 0.52 0.00 0.00 175.17 176.36 2b61 n THR 77 N 6.21 0.50 0.52 1.71 -2.24 -0.97 -1.27 114.28 118.75 2b61 n THR 77 Ca 0.02 0.13 0.12 0.00 -2.27 0.00 0.00 64.05 62.05 2b61 n THR 77 Cb 0.47 -0.79 0.27 0.00 -2.10 0.00 0.00 70.33 68.18 2b61 n THR 77 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2b61 h ASP 78 N 0.00 0.00 0.00 3.42 3.32 -1.90 -3.39 116.42 117.87 2b61 h ASP 78 Ca 0.00 -0.08 -0.18 0.00 0.02 0.00 0.00 57.03 56.79 2b61 h ASP 78 Cb 0.26 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 2b61 h ASP 78 CO 0.00 0.04 -1.69 -1.14 -1.72 0.00 0.00 179.24 174.73 2b61 n ARG 79 N -2.34 0.37 -4.44 3.56 0.63 -0.65 -4.95 116.66 108.83 2b61 n ARG 79 Ca 0.04 0.07 -0.24 0.00 -0.92 0.00 0.00 57.85 56.80 2b61 n ARG 79 Cb 0.45 -1.24 -0.10 0.00 0.45 0.00 0.00 32.46 32.03 2b61 n ARG 79 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2b61 s TYR 80 N -2.24 2.35 -0.38 -0.14 2.02 -0.40 -4.92 117.35 113.64 2b61 s TYR 80 Ca -0.16 -0.31 -0.09 0.00 -0.37 0.00 0.00 57.07 56.14 2b61 s TYR 80 Cb 0.04 -1.02 0.05 0.00 -0.40 0.00 0.00 41.96 40.63 2b61 s TYR 80 CO 0.28 0.71 0.19 0.12 -1.57 0.00 0.00 175.55 175.28 2b61 s PHE 81 N -2.48 3.29 -0.04 2.71 5.36 -0.21 -3.88 117.98 122.74 2b61 s PHE 81 Ca 0.30 -1.36 -0.14 0.00 -0.96 0.00 0.00 56.93 54.77 2b61 s PHE 81 Cb -0.05 -2.60 -0.05 0.00 -0.34 0.00 0.00 43.02 39.98 2b61 s PHE 81 CO 0.16 -0.76 0.38 -0.06 -1.46 0.00 0.00 175.22 173.48 2b61 s PHE 82 N 1.45 3.68 -0.11 10.12 0.08 0.15 -0.44 117.98 132.91 2b61 s PHE 82 Ca 0.01 0.91 0.03 0.00 0.12 0.00 0.00 56.93 58.00 2b61 s PHE 82 Cb -0.21 -2.29 -0.00 0.00 -0.57 0.00 0.00 43.02 39.95 2b61 s PHE 82 CO 0.03 0.58 -0.21 0.42 -0.10 0.00 0.00 175.22 175.94 2b61 s ILE 83 N -0.79 2.35 0.05 0.64 1.09 0.25 -1.14 121.20 123.65 2b61 s ILE 83 Ca 0.22 -0.92 0.07 0.00 -1.10 0.00 0.00 60.65 58.93 2b61 s ILE 83 Cb -0.16 -1.93 -0.03 0.00 -1.06 0.00 0.00 42.46 39.29 2b61 s ILE 83 CO 0.11 0.55 -0.20 -0.55 -0.10 0.00 0.00 174.94 174.76 2b61 s SER 84 N 0.33 2.37 -0.02 3.58 0.15 -0.17 -0.44 113.70 119.49 2b61 s SER 84 Ca -0.16 -0.54 -0.10 0.00 0.70 0.00 0.00 55.95 55.85 2b61 s SER 84 Cb -0.17 -0.18 0.01 0.00 -1.71 0.00 0.00 66.02 63.97 2b61 s SER 84 CO 0.08 0.13 0.21 -0.94 1.20 0.00 0.00 173.24 173.92 2b61 s SER 85 N -1.28 -0.10 0.12 5.45 1.04 -1.26 -0.78 113.70 116.88 2b61 s SER 85 Ca 0.06 0.04 -0.30 0.00 0.48 0.00 0.00 55.95 56.24 2b61 s SER 85 Cb -0.09 0.30 -0.06 0.00 0.10 0.00 0.00 66.02 66.27 2b61 s SER 85 CO 0.02 -0.33 1.09 0.21 0.98 0.00 0.00 173.24 175.22 2b61 s ASN 86 N -1.01 7.26 0.59 7.02 2.47 -0.24 -4.49 114.94 126.54 2b61 s ASN 86 Ca -0.11 1.99 -0.18 0.00 0.42 0.00 0.00 52.86 54.97 2b61 s ASN 86 Cb -0.05 -2.59 -0.03 0.00 -1.45 0.00 0.00 41.25 37.12 2b61 s ASN 86 CO 0.02 -0.27 1.19 0.68 -3.72 0.00 0.00 177.10 175.00 2b61 s VAL 87 N 0.26 2.73 0.21 -5.21 -7.23 -1.26 -4.64 120.40 105.27 2b61 s VAL 87 Ca 0.52 0.44 -0.32 0.00 -1.81 0.00 0.00 61.98 60.81 2b61 s VAL 87 Cb -0.28 -3.15 -0.15 0.00 0.56 0.00 0.00 36.38 33.36 2b61 s VAL 87 CO 0.32 -0.11 1.24 -0.11 -0.31 0.00 0.00 175.10 176.13 2b61 n LEU 88 N -1.64 2.17 0.00 1.32 7.94 -1.26 -0.86 117.00 124.66 2b61 n LEU 88 Ca 0.13 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.18 2b61 n LEU 88 Cb 0.50 -1.31 0.00 0.00 0.53 0.00 0.00 43.42 43.14 2b61 n LEU 88 CO 0.44 -0.99 0.00 0.61 -1.11 0.00 0.00 177.39 176.34 2b61 n GLY 89 N 1.98 1.30 2.04 -3.96 0.00 -0.15 -4.92 105.19 101.47 2b61 n GLY 89 Ca 0.13 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.98 2b61 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b61 n GLY 90 N -2.00 -2.20 0.39 -0.02 0.00 -0.04 -4.49 105.19 96.83 2b61 n GLY 90 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.47 2b61 n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b61 n LYS 92 N -0.02 2.41 0.00 0.00 4.76 -1.26 -4.89 118.16 119.16 2b61 n LYS 92 Ca 0.00 -3.63 0.00 0.00 -2.87 0.00 0.00 58.31 51.81 2b61 n LYS 92 Cb 0.66 -1.82 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 2b61 n LYS 92 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2b61 n GLY 93 N -0.82 2.19 3.80 0.72 0.00 -1.26 -4.79 105.19 105.02 2b61 n GLY 93 Ca 0.29 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 2b61 n GLY 93 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b61 s THR 94 N -0.27 4.32 0.06 2.61 2.01 -1.26 -4.23 115.64 118.87 2b61 s THR 94 Ca 0.00 1.64 -0.37 0.00 0.31 0.00 0.00 61.69 63.27 2b61 s THR 94 Cb 0.00 -3.90 -0.17 0.00 0.01 0.00 0.00 72.50 68.44 2b61 s THR 94 CO 0.00 0.07 1.37 0.41 -0.69 0.00 0.00 174.62 175.78 2b61 n THR 95 N 0.37 0.02 -3.50 -0.82 -1.04 -0.28 -4.38 114.28 104.65 2b61 n THR 95 Ca 0.02 -0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 62.00 2b61 n THR 95 Cb 0.51 -0.84 -0.00 0.00 -1.82 0.00 0.00 70.33 68.18 2b61 n THR 95 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2b61 n GLY 96 N 2.64 2.56 0.30 3.41 0.00 -1.25 -0.98 105.19 111.87 2b61 n GLY 96 Ca 0.19 -1.31 0.16 0.00 0.00 0.00 0.00 46.02 45.07 2b61 n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2b61 h PRO 97 N 0.00 0.00 0.00 1.61 0.13 -1.79 -1.00 132.00 130.95 2b61 h PRO 97 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2b61 h PRO 97 Cb 0.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.37 2b61 h PRO 97 CO 0.08 0.04 -0.12 -1.13 -0.23 0.00 0.00 178.00 176.63 2b61 n SER 98 N -3.53 0.38 -4.77 1.44 3.41 -1.26 -0.84 113.62 108.45 2b61 n SER 98 Ca -0.02 0.40 -0.33 0.00 -0.26 0.00 0.00 58.87 58.65 2b61 n SER 98 Cb 0.14 -0.44 0.05 0.00 -0.26 0.00 0.00 64.21 63.71 2b61 n SER 98 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2b61 s SER 99 N -3.59 5.07 0.05 4.04 0.01 -0.38 -4.71 113.70 114.19 2b61 s SER 99 Ca 0.12 2.01 -0.31 0.00 1.31 0.00 0.00 55.95 59.08 2b61 s SER 99 Cb 0.16 -2.55 -0.07 0.00 0.21 0.00 0.00 66.02 63.77 2b61 s SER 99 CO 0.59 -1.65 1.42 -0.63 0.41 0.00 0.00 173.24 173.38 2b61 s ILE 100 N -2.33 3.52 -0.22 1.44 -1.09 -1.26 -1.21 121.20 120.05 2b61 s ILE 100 Ca 0.67 0.99 -0.29 0.00 -2.23 0.00 0.00 60.65 59.79 2b61 s ILE 100 Cb -0.21 -3.63 -0.01 0.00 -1.58 0.00 0.00 42.46 37.03 2b61 s ILE 100 CO 0.42 0.02 1.35 0.21 -1.23 0.00 0.00 174.94 175.71 2b61 s ASN 101 N 1.67 6.75 0.60 3.58 3.84 0.17 -4.81 114.94 126.75 2b61 s ASN 101 Ca 0.65 1.52 0.30 0.00 0.21 0.00 0.00 52.86 55.54 2b61 s ASN 101 Cb -0.34 -2.54 1.64 0.00 -0.55 0.00 0.00 41.25 39.46 2b61 s ASN 101 CO 0.28 -0.96 2.03 -0.65 -2.79 0.00 0.00 177.10 175.01 2b61 h PRO 102 N 9.04 0.00 0.00 0.43 0.11 -1.92 -0.70 132.00 138.96 2b61 h PRO 102 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2b61 h PRO 102 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2b61 h PRO 102 CO 1.00 0.00 -0.25 1.04 -0.21 0.00 0.00 178.00 179.57 2b61 n GLN 103 N -3.61 0.08 0.00 1.05 1.13 -1.26 -4.37 117.38 110.39 2b61 n GLN 103 Ca 0.03 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 2b61 n GLN 103 Cb 0.42 -1.57 0.00 0.00 0.11 0.00 0.00 30.24 29.20 2b61 n GLN 103 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2b61 n THR 104 N -1.69 0.00 -0.97 5.09 -2.24 -0.58 -5.02 114.28 108.89 2b61 n THR 104 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2b61 n THR 104 Cb 0.36 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 2b61 n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2b61 n GLY 105 N 1.36 0.37 3.43 3.38 0.00 -0.37 -5.01 105.19 108.35 2b61 n GLY 105 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2b61 n GLY 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b61 s LYS 106 N -0.66 1.56 0.49 1.61 1.02 -1.26 -4.86 119.74 117.64 2b61 s LYS 106 Ca 0.00 -1.65 -0.21 0.00 0.02 0.00 0.00 55.97 54.13 2b61 s LYS 106 Cb 0.00 -1.67 -0.09 0.00 -0.52 0.00 0.00 37.83 35.55 2b61 s LYS 106 CO 0.00 0.33 0.87 -2.30 -0.92 0.00 0.00 175.35 173.32 2b61 n PRO 107 N -0.27 1.00 -0.09 -1.68 -0.02 -1.26 -0.65 135.00 132.04 2b61 n PRO 107 Ca -0.08 0.37 -0.06 0.00 -2.02 0.00 0.00 63.50 61.71 2b61 n PRO 107 Cb 0.59 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 2b61 n PRO 107 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 2b61 h TYR 108 N 0.96 -0.11 0.00 6.00 0.05 -0.94 -3.42 116.97 119.51 2b61 h TYR 108 Ca -0.45 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.35 2b61 h TYR 108 Cb 1.36 0.10 0.00 0.00 1.01 0.00 0.00 36.73 39.20 2b61 h TYR 108 CO 0.39 -0.11 0.00 0.41 -1.05 0.00 0.00 178.16 177.80 2b61 n GLY 109 N -1.26 3.43 0.22 3.88 0.00 -0.02 -0.64 105.19 110.81 2b61 n GLY 109 Ca 0.01 0.08 0.15 0.00 0.00 0.00 0.00 46.02 46.26 2b61 n GLY 109 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2b61 h SER 110 N 0.00 0.00 0.13 1.61 4.64 -1.77 -2.07 113.55 116.10 2b61 h SER 110 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2b61 h SER 110 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2b61 h SER 110 CO 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 176.83 175.86 2b61 n GLN 111 N -2.57 1.18 -2.16 4.77 6.02 0.19 -4.89 117.38 119.91 2b61 n GLN 111 Ca -0.01 -0.61 -0.42 0.00 -0.01 0.00 0.00 57.00 55.95 2b61 n GLN 111 Cb 0.09 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.83 2b61 n GLN 111 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 2b61 s PHE 112 N -2.24 3.24 0.65 1.08 5.36 -0.78 -4.97 117.98 120.32 2b61 s PHE 112 Ca 0.33 0.94 -0.14 0.00 -0.96 0.00 0.00 56.93 57.11 2b61 s PHE 112 Cb 0.20 -3.69 -0.01 0.00 -0.34 0.00 0.00 43.02 39.19 2b61 s PHE 112 CO 0.42 -2.41 1.07 -1.25 -1.46 0.00 0.00 175.22 171.60 2b61 s PRO 113 N 1.11 3.00 0.13 10.12 0.04 -1.26 -4.98 135.00 143.16 2b61 s PRO 113 Ca 0.65 1.16 -0.30 0.00 0.04 0.00 0.00 61.00 62.54 2b61 s PRO 113 Cb -0.37 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.11 2b61 s PRO 113 CO 0.30 -1.06 1.19 -0.80 0.04 0.00 0.00 177.00 176.67 2b61 s ASN 114 N -3.12 7.10 0.23 6.66 0.01 -1.26 -5.02 114.94 119.53 2b61 s ASN 114 Ca 0.62 2.14 0.10 0.00 -0.71 0.00 0.00 52.86 55.01 2b61 s ASN 114 Cb -0.16 -2.59 -0.05 0.00 0.41 0.00 0.00 41.25 38.86 2b61 s ASN 114 CO 0.45 -0.40 -0.19 0.27 -1.51 0.00 0.00 177.10 175.72 2b61 s ILE 115 N 0.39 2.21 0.26 0.60 -4.36 -1.26 -4.64 121.20 114.39 2b61 s ILE 115 Ca 0.55 -2.23 0.02 0.00 -0.26 0.00 0.00 60.65 58.73 2b61 s ILE 115 Cb -0.31 -2.15 -0.05 0.00 1.25 0.00 0.00 42.46 41.20 2b61 s ILE 115 CO 0.33 -0.38 0.06 0.68 0.24 0.00 0.00 174.94 175.88 2b61 s VAL 116 N -2.39 0.82 0.45 8.37 -7.23 -1.26 -4.23 120.40 114.93 2b61 s VAL 116 Ca 0.25 -2.01 0.15 0.00 -1.81 0.00 0.00 61.98 58.57 2b61 s VAL 116 Cb -0.05 -2.59 0.33 0.00 0.56 0.00 0.00 36.38 34.64 2b61 s VAL 116 CO 0.11 -0.10 1.99 0.58 -0.31 0.00 0.00 175.10 177.38 2b61 h VAL 117 N 2.35 0.88 -0.51 1.32 2.07 -1.97 -0.80 116.25 119.58 2b61 h VAL 117 Ca -0.39 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 2b61 h VAL 117 Cb 1.24 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 2b61 h VAL 117 CO 0.64 0.06 0.30 1.56 0.02 0.00 0.00 177.57 180.15 2b61 h GLN 118 N 0.33 0.69 -0.17 1.57 7.50 -1.96 -0.50 115.11 122.58 2b61 h GLN 118 Ca 0.26 -0.06 -0.10 0.00 0.50 0.00 0.00 58.65 59.25 2b61 h GLN 118 Cb 0.58 -0.15 -0.00 0.00 0.05 0.00 0.00 27.48 27.96 2b61 h GLN 118 CO -0.06 0.49 -0.30 -0.44 -1.50 0.00 0.00 178.83 177.02 2b61 h ASP 119 N 0.71 0.56 -0.62 1.46 3.32 -1.55 -2.92 116.42 117.37 2b61 h ASP 119 Ca 0.19 -0.54 0.06 0.00 0.02 0.00 0.00 57.03 56.76 2b61 h ASP 119 Cb -0.02 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.31 2b61 h ASP 119 CO -0.03 0.99 0.32 0.40 -1.72 0.00 0.00 179.24 179.19 2b61 h ILE 120 N 0.15 0.93 -0.08 0.35 2.04 -0.97 -2.20 117.51 117.72 2b61 h ILE 120 Ca 0.01 -0.20 -0.13 0.00 1.00 0.00 0.00 64.86 65.54 2b61 h ILE 120 Cb 0.88 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2b61 h ILE 120 CO 0.07 0.11 -0.52 -0.37 0.00 0.00 0.00 178.15 177.43 2b61 h VAL 121 N 0.59 1.36 -0.70 1.67 -1.51 -1.15 -2.29 116.25 114.22 2b61 h VAL 121 Ca 0.28 -1.78 -0.02 0.00 -1.23 0.00 0.00 66.70 63.95 2b61 h VAL 121 Cb 0.21 1.87 -0.03 0.00 -2.13 0.00 0.00 31.29 31.21 2b61 h VAL 121 CO -0.20 0.53 0.36 0.11 -1.23 0.00 0.00 177.57 177.14 2b61 h LYS 122 N 0.18 0.97 -0.48 5.19 1.57 -1.24 0.10 116.57 122.86 2b61 h LYS 122 Ca 0.00 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 2b61 h LYS 122 Cb 0.98 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 2b61 h LYS 122 CO 0.08 0.73 -0.00 0.28 -0.57 0.00 0.00 179.45 179.97 2b61 h VAL 123 N 0.98 1.26 -0.86 0.50 2.07 -1.10 -1.86 116.25 117.25 2b61 h VAL 123 Ca 0.25 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.66 2b61 h VAL 123 Cb 0.05 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 2b61 h VAL 123 CO -0.04 0.37 0.42 1.56 0.02 0.00 0.00 177.57 179.91 2b61 h GLN 124 N 0.71 1.23 -0.70 1.57 4.20 -0.83 -1.27 115.11 120.02 2b61 h GLN 124 Ca 0.14 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2b61 h GLN 124 Cb 0.51 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 2b61 h GLN 124 CO 0.03 0.94 0.41 -0.22 -0.67 0.00 0.00 178.83 179.32 2b61 h LYS 125 N 1.22 0.96 -0.49 1.46 1.63 -0.64 -1.54 116.57 119.17 2b61 h LYS 125 Ca 0.30 -0.09 -0.07 0.00 -0.85 0.00 0.00 60.65 59.93 2b61 h LYS 125 Cb 0.11 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.52 2b61 h LYS 125 CO -0.04 0.69 0.01 0.00 -3.45 0.00 0.00 179.45 176.66 2b61 h ALA 126 N 1.21 1.10 -0.35 5.00 0.00 -1.00 -0.86 119.26 124.37 2b61 h ALA 126 Ca 0.25 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2b61 h ALA 126 Cb -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2b61 h ALA 126 CO -0.05 0.57 0.17 1.25 0.00 0.00 0.00 179.25 181.19 2b61 h LEU 127 N 0.76 0.45 -1.14 0.00 5.85 -0.79 -1.13 115.31 119.31 2b61 h LEU 127 Ca 0.15 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 2b61 h LEU 127 Cb 0.44 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2b61 h LEU 127 CO 0.02 0.45 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.29 2b61 h LEU 128 N 0.42 0.34 -0.35 2.25 3.38 -0.85 -0.87 115.31 119.63 2b61 h LEU 128 Ca 0.12 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2b61 h LEU 128 Cb 0.12 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2b61 h LEU 128 CO -0.01 0.57 0.18 -0.33 0.09 0.00 0.00 178.44 178.94 2b61 h GLU 129 N 0.32 0.49 -0.95 1.13 5.08 -0.97 -0.25 114.58 119.42 2b61 h GLU 129 Ca 0.05 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2b61 h GLU 129 Cb 0.55 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.65 2b61 h GLU 129 CO 0.04 0.42 0.62 1.25 -1.00 0.00 0.00 179.01 180.33 2b61 h HIS 130 N 0.43 1.15 -0.00 4.33 2.76 -0.62 -2.16 115.15 121.05 2b61 h HIS 130 Ca 0.12 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 2b61 h HIS 130 Cb 0.07 -0.38 0.00 0.00 1.55 0.00 0.00 27.41 28.65 2b61 h HIS 130 CO -0.02 0.65 -0.02 1.28 -1.30 0.00 0.00 177.93 178.51 2b61 n LEU 131 N -4.50 0.08 -1.11 0.26 4.77 -0.39 -4.91 117.00 111.21 2b61 n LEU 131 Ca 0.13 0.21 -0.09 0.00 -0.03 0.00 0.00 56.01 56.23 2b61 n LEU 131 Cb 0.12 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2b61 n LEU 131 CO 0.34 0.01 -0.07 0.61 -1.33 0.00 0.00 177.39 176.95 2b61 n GLY 132 N 1.26 0.07 3.48 -0.72 0.00 -0.60 -5.01 105.19 103.67 2b61 n GLY 132 Ca 0.15 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 2b61 n GLY 132 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b61 s ILE 133 N -2.55 5.27 -1.67 -0.61 -1.09 -0.21 -4.95 121.20 115.40 2b61 s ILE 133 Ca 0.04 -0.52 0.20 0.00 -2.23 0.00 0.00 60.65 58.14 2b61 s ILE 133 Cb -0.02 -3.86 -0.04 0.00 -1.58 0.00 0.00 42.46 36.96 2b61 s ILE 133 CO 0.05 -0.21 0.97 -1.54 -1.23 0.00 0.00 174.94 172.98 2b61 n SER 134 N 5.14 1.72 -3.53 3.58 3.41 -1.26 -4.42 113.62 118.25 2b61 n SER 134 Ca -0.12 -1.36 -0.17 0.00 -0.26 0.00 0.00 58.87 56.97 2b61 n SER 134 Cb 0.48 0.57 -0.06 0.00 -0.26 0.00 0.00 64.21 64.94 2b61 n SER 134 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2b61 s HIS 135 N -2.37 -0.60 0.02 7.33 5.65 -1.26 -4.96 115.29 119.10 2b61 s HIS 135 Ca 0.15 0.96 0.08 0.00 0.25 0.00 0.00 55.06 56.50 2b61 s HIS 135 Cb 0.16 0.39 -0.03 0.00 -1.18 0.00 0.00 32.58 31.93 2b61 s HIS 135 CO 0.56 -0.61 -0.24 -0.51 -0.65 0.00 0.00 174.74 173.29 2b61 s LEU 136 N -1.37 2.26 0.12 8.88 1.43 0.44 -4.74 118.68 125.71 2b61 s LEU 136 Ca -0.10 -0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 52.36 2b61 s LEU 136 Cb -0.01 -1.37 -0.03 0.00 0.03 0.00 0.00 46.19 44.82 2b61 s LEU 136 CO 0.07 0.28 1.54 0.50 0.23 0.00 0.00 176.35 178.97 2b61 h LYS 137 N 4.99 0.73 -3.25 1.70 1.63 -0.65 -1.49 116.57 120.24 2b61 h LYS 137 Ca -0.46 -0.27 -0.04 0.00 -0.85 0.00 0.00 60.65 59.04 2b61 h LYS 137 Cb 1.14 -0.05 -0.12 0.00 -0.60 0.00 0.00 32.23 32.60 2b61 h LYS 137 CO 0.46 0.86 0.04 0.00 -3.45 0.00 0.00 179.45 177.35 2b61 s ALA 138 N -4.85 -1.16 -0.06 5.00 0.00 -1.17 -1.89 121.76 117.63 2b61 s ALA 138 Ca -0.13 0.12 0.04 0.00 0.00 0.00 0.00 51.96 52.00 2b61 s ALA 138 Cb 0.10 0.78 -0.00 0.00 0.00 0.00 0.00 23.12 23.99 2b61 s ALA 138 CO 0.81 -0.70 -0.20 0.42 0.00 0.00 0.00 175.76 176.09 2b61 s ILE 139 N -3.79 1.66 -0.02 0.00 1.01 -0.59 -1.54 121.20 117.94 2b61 s ILE 139 Ca 0.03 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.87 2b61 s ILE 139 Cb 0.01 -1.43 0.00 0.00 0.01 0.00 0.00 42.46 41.05 2b61 s ILE 139 CO -0.11 0.47 -0.08 -0.51 0.00 0.00 0.00 174.94 174.71 2b61 s ILE 140 N 0.11 0.65 -0.06 2.92 2.07 -0.10 -0.69 121.20 126.09 2b61 s ILE 140 Ca -0.08 -0.30 -0.30 0.00 -1.41 0.00 0.00 60.65 58.56 2b61 s ILE 140 Cb -0.14 -0.58 0.09 0.00 0.13 0.00 0.00 42.46 41.96 2b61 s ILE 140 CO 0.04 0.20 0.76 -0.83 -1.91 0.00 0.00 174.94 173.20 2b61 s GLY 141 N 0.12 -0.50 0.16 1.50 0.00 -0.76 -0.98 107.32 106.86 2b61 s GLY 141 Ca -0.01 1.44 0.08 0.00 0.00 0.00 0.00 44.72 46.23 2b61 s GLY 141 CO 0.00 0.91 -0.08 -0.32 0.00 0.00 0.00 173.10 173.62 2b61 s GLY 142 N -1.29 1.75 0.00 0.20 0.00 -1.26 -1.23 107.32 105.48 2b61 s GLY 142 Ca -0.07 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.26 2b61 s GLY 142 CO 0.06 -1.39 0.00 -1.26 0.00 0.00 0.00 173.10 170.51 2b61 n SER 143 N 0.20 0.00 -0.05 1.64 2.88 -0.15 -0.49 113.62 117.65 2b61 n SER 143 Ca -0.11 0.00 0.23 0.00 -1.33 0.00 0.00 58.87 57.66 2b61 n SER 143 Cb 0.54 0.00 0.71 0.00 -0.75 0.00 0.00 64.21 64.71 2b61 n SER 143 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2b61 h PHE 144 N 0.00 0.00 -0.18 0.66 3.57 -1.88 0.14 116.94 119.26 2b61 h PHE 144 Ca 0.00 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 2b61 h PHE 144 Cb 0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2b61 h PHE 144 CO 0.00 0.00 -0.33 0.78 -2.23 0.00 0.00 178.31 176.53 2b61 h GLY 145 N 0.00 0.39 -2.06 2.40 0.00 -0.63 -2.56 103.07 100.61 2b61 h GLY 145 Ca 0.30 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2b61 h GLY 145 CO -0.00 0.31 0.00 0.61 0.00 0.00 0.00 176.54 177.46 2b61 n GLY 146 N -0.30 0.62 1.03 4.60 0.00 0.49 -1.50 105.19 110.13 2b61 n GLY 146 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2b61 n GLY 146 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2b61 n GLN 148 N 0.88 0.00 -0.11 1.61 6.02 -0.97 -0.58 117.38 124.24 2b61 n GLN 148 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 2b61 n GLN 148 Cb 0.15 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.39 2b61 n GLN 148 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2b61 h ALA 149 N 0.00 0.44 -0.58 -1.58 0.00 -1.56 -0.69 119.26 115.29 2b61 h ALA 149 Ca 0.00 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.83 2b61 h ALA 149 Cb 0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.60 2b61 h ALA 149 CO 0.00 0.08 0.22 -0.97 0.00 0.00 0.00 179.25 178.58 2b61 h ASN 150 N 0.38 0.23 -0.43 0.00 -0.73 -1.12 -1.79 115.58 112.13 2b61 h ASN 150 Ca 0.11 0.07 -0.10 0.00 1.87 0.00 0.00 56.30 58.25 2b61 h ASN 150 Cb 0.26 0.05 -0.02 0.00 0.27 0.00 0.00 38.32 38.88 2b61 h ASN 150 CO -0.00 0.14 -0.09 -0.61 -0.37 0.00 0.00 177.43 176.51 2b61 h GLN 151 N 0.41 0.88 -0.67 6.67 5.75 -1.74 -2.37 115.11 124.04 2b61 h GLN 151 Ca 0.28 -0.30 0.06 0.00 -0.15 0.00 0.00 58.65 58.55 2b61 h GLN 151 Cb 0.33 -0.07 -0.06 0.00 1.07 0.00 0.00 27.48 28.75 2b61 h GLN 151 CO -0.28 0.93 0.37 -1.49 -2.65 0.00 0.00 178.83 175.71 2b61 h TRP 152 N 0.80 0.67 -0.08 3.99 4.06 -0.70 -0.44 115.95 124.25 2b61 h TRP 152 Ca 0.13 0.03 -0.00 0.00 2.06 0.00 0.00 58.89 61.11 2b61 h TRP 152 Cb 0.60 -0.20 -0.00 0.00 -1.00 0.00 0.00 29.16 28.55 2b61 h TRP 152 CO 0.03 0.31 0.04 0.00 -3.56 0.00 0.00 178.44 175.27 2b61 h ALA 153 N 1.35 1.92 0.00 1.49 0.00 -0.82 -1.10 119.26 122.10 2b61 h ALA 153 Ca 0.30 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 2b61 h ALA 153 Cb 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2b61 h ALA 153 CO -0.19 0.07 -0.48 0.82 0.00 0.00 0.00 179.25 179.47 2b61 h ILE 154 N 0.11 1.36 -0.01 0.00 2.04 -1.17 -3.33 117.51 116.51 2b61 h ILE 154 Ca 0.03 -2.21 -0.17 0.00 1.00 0.00 0.00 64.86 63.52 2b61 h ILE 154 Cb 0.01 2.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.84 2b61 h ILE 154 CO -0.00 0.46 -0.75 0.44 0.00 0.00 0.00 178.15 178.30 2b61 h ASP 155 N -1.00 0.15 -2.10 1.72 3.32 -0.92 -3.36 116.42 114.22 2b61 h ASP 155 Ca -0.13 -0.10 -0.56 0.00 0.02 0.00 0.00 57.03 56.26 2b61 h ASP 155 Cb 1.07 -0.04 -0.41 0.00 0.22 0.00 0.00 39.33 40.17 2b61 h ASP 155 CO -0.08 0.84 -0.91 -1.22 -1.72 0.00 0.00 179.24 176.16 2b61 n TYR 156 N -3.71 1.63 0.26 4.55 4.01 -0.43 -4.99 117.16 118.47 2b61 n TYR 156 Ca -0.02 -3.86 0.10 0.00 -0.16 0.00 0.00 57.90 53.96 2b61 n TYR 156 Cb 0.72 -0.45 0.70 0.00 -0.31 0.00 0.00 39.34 40.00 2b61 n TYR 156 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2b61 h PRO 157 N 3.65 0.00 -0.51 -0.72 0.13 -1.71 -1.43 132.00 131.41 2b61 h PRO 157 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2b61 h PRO 157 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2b61 h PRO 157 CO 0.64 0.03 0.00 -0.25 -0.23 0.00 0.00 178.00 178.19 2b61 n ASP 158 N -4.28 3.89 -0.66 1.44 8.00 -1.26 -4.14 116.55 119.53 2b61 n ASP 158 Ca -0.03 -2.30 0.03 0.00 0.71 0.00 0.00 54.79 53.20 2b61 n ASP 158 Cb 0.12 -0.44 0.11 0.00 -0.02 0.00 0.00 41.12 40.89 2b61 n ASP 158 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2b61 n PHE 159 N 0.77 0.46 -0.07 1.24 7.35 -0.54 -4.97 117.46 121.70 2b61 n PHE 159 Ca 0.20 -0.18 -0.15 0.00 -0.76 0.00 0.00 57.45 56.56 2b61 n PHE 159 Cb 0.69 -0.11 -0.05 0.00 0.35 0.00 0.00 39.48 40.35 2b61 n PHE 159 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 2b61 n ASP 161 N 0.17 1.39 -4.15 -2.13 8.00 -0.56 -0.42 116.55 118.86 2b61 n ASP 161 Ca 0.08 0.13 -0.23 0.00 0.71 0.00 0.00 54.79 55.48 2b61 n ASP 161 Cb 0.36 -0.39 -0.15 0.00 -0.02 0.00 0.00 41.12 40.92 2b61 n ASP 161 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2b61 s ASN 162 N -6.13 1.84 -0.13 -2.24 0.02 -0.79 -1.28 114.94 106.23 2b61 s ASN 162 Ca -0.20 -0.35 0.02 0.00 -1.02 0.00 0.00 52.86 51.31 2b61 s ASN 162 Cb 0.07 -0.18 -0.00 0.00 0.02 0.00 0.00 41.25 41.16 2b61 s ASN 162 CO 0.27 0.15 -0.19 -0.63 0.02 0.00 0.00 177.10 176.71 2b61 s ILE 163 N -0.53 2.40 -0.31 0.60 -1.09 0.20 -1.54 121.20 120.94 2b61 s ILE 163 Ca 0.05 -0.88 0.03 0.00 -2.23 0.00 0.00 60.65 57.62 2b61 s ILE 163 Cb -0.07 -1.97 0.09 0.00 -1.58 0.00 0.00 42.46 38.93 2b61 s ILE 163 CO 0.00 0.54 0.00 -0.69 -1.23 0.00 0.00 174.94 173.57 2b61 s VAL 164 N 0.54 2.05 -0.39 2.92 1.01 0.13 -0.15 120.40 126.50 2b61 s VAL 164 Ca -0.12 -1.97 -0.08 0.00 0.00 0.00 0.00 61.98 59.81 2b61 s VAL 164 Cb -0.16 -2.40 0.07 0.00 0.00 0.00 0.00 36.38 33.88 2b61 s VAL 164 CO 0.04 -0.42 0.21 0.21 0.00 0.00 0.00 175.10 175.15 2b61 s ASN 165 N 1.07 5.54 -0.29 3.32 3.84 0.36 -1.83 114.94 126.95 2b61 s ASN 165 Ca 0.04 -1.41 -0.13 0.00 0.21 0.00 0.00 52.86 51.57 2b61 s ASN 165 Cb -0.19 -1.95 -0.04 0.00 -0.55 0.00 0.00 41.25 38.52 2b61 s ASN 165 CO -0.09 -0.47 0.27 -0.76 -2.79 0.00 0.00 177.10 173.26 2b61 s LEU 166 N 1.41 4.11 -1.25 3.21 1.43 -0.37 -1.73 118.68 125.49 2b61 s LEU 166 Ca 0.02 0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.12 2b61 s LEU 166 Cb -0.22 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 43.77 2b61 s LEU 166 CO 0.02 -0.14 0.98 0.00 0.23 0.00 0.00 176.35 177.44 2b61 s SER 168 N -4.17 0.18 0.37 0.00 1.04 -1.26 -3.23 113.70 106.63 2b61 s SER 168 Ca 0.11 -0.53 0.08 0.00 0.48 0.00 0.00 55.95 56.08 2b61 s SER 168 Cb -0.05 0.23 -0.04 0.00 0.10 0.00 0.00 66.02 66.26 2b61 s SER 168 CO 0.75 -0.51 0.23 -0.94 0.98 0.00 0.00 173.24 173.75 2b61 s SER 169 N -2.12 4.81 0.09 7.02 1.04 -1.26 -4.87 113.70 118.40 2b61 s SER 169 Ca -0.05 -0.79 0.26 0.00 0.48 0.00 0.00 55.95 55.86 2b61 s SER 169 Cb -0.01 -0.68 0.79 0.00 0.10 0.00 0.00 66.02 66.22 2b61 s SER 169 CO -0.05 -0.44 1.66 2.30 0.98 0.00 0.00 173.24 177.69 2b61 n ILE 170 N -1.30 0.26 -4.35 -1.02 -5.35 -1.26 -4.71 119.36 101.62 2b61 n ILE 170 Ca -0.01 -0.15 -0.19 0.00 -0.27 0.00 0.00 62.75 62.13 2b61 n ILE 170 Cb 0.62 -0.31 -0.15 0.00 -1.74 0.00 0.00 39.64 38.05 2b61 n ILE 170 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 2b61 s TYR 171 N -3.07 0.84 0.26 4.28 2.02 -1.26 -4.41 117.35 116.01 2b61 s TYR 171 Ca 0.11 -0.18 -0.30 0.00 -0.37 0.00 0.00 57.07 56.33 2b61 s TYR 171 Cb 0.15 -0.57 -0.09 0.00 -0.40 0.00 0.00 41.96 41.05 2b61 s TYR 171 CO 0.62 -0.05 1.01 0.12 -1.57 0.00 0.00 175.55 175.68 2b61 s PHE 172 N 0.00 3.80 0.76 2.71 5.36 -1.26 -5.01 117.98 124.34 2b61 s PHE 172 Ca 0.00 1.82 -0.11 0.00 -0.96 0.00 0.00 56.93 57.68 2b61 s PHE 172 Cb -0.06 -3.12 0.05 0.00 -0.34 0.00 0.00 43.02 39.55 2b61 s PHE 172 CO -0.00 -0.01 1.08 -1.54 -1.46 0.00 0.00 175.22 173.29 2b61 s SER 173 N -1.05 4.78 0.20 6.13 1.04 -1.26 -4.82 113.70 118.71 2b61 s SER 173 Ca 0.43 1.53 -0.11 0.00 0.48 0.00 0.00 55.95 58.28 2b61 s SER 173 Cb -0.29 -2.31 0.23 0.00 0.10 0.00 0.00 66.02 63.76 2b61 s SER 173 CO 0.36 -1.82 1.75 0.00 0.98 0.00 0.00 173.24 174.51 2b61 h ALA 174 N -0.98 0.72 -0.49 5.32 0.00 -1.99 0.61 119.26 122.44 2b61 h ALA 174 Ca -0.45 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 2b61 h ALA 174 Cb 1.24 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2b61 h ALA 174 CO 0.57 -0.19 0.14 1.49 0.00 0.00 0.00 179.25 181.25 2b61 h GLU 175 N 0.39 0.78 -0.77 0.00 4.81 -1.98 -1.15 114.58 116.66 2b61 h GLU 175 Ca 0.28 -0.18 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 2b61 h GLU 175 Cb 0.32 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 2b61 h GLU 175 CO -0.28 0.75 0.26 0.00 -0.73 0.00 0.00 179.01 179.01 2b61 h ALA 176 N 1.00 1.01 -0.57 2.92 0.00 -1.77 -1.37 119.26 120.47 2b61 h ALA 176 Ca 0.16 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.92 2b61 h ALA 176 Cb 0.30 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2b61 h ALA 176 CO -0.00 0.67 0.26 0.82 0.00 0.00 0.00 179.25 181.00 2b61 h ILE 177 N 1.14 0.88 -0.43 0.00 2.04 -0.65 -1.75 117.51 118.73 2b61 h ILE 177 Ca 0.25 -0.16 0.09 0.00 1.00 0.00 0.00 64.86 66.03 2b61 h ILE 177 Cb 0.28 0.35 -0.08 0.00 -0.74 0.00 0.00 36.82 36.63 2b61 h ILE 177 CO -0.01 0.09 -0.10 1.23 0.00 0.00 0.00 178.15 179.36 2b61 h GLY 178 N 0.48 0.32 1.01 5.37 0.00 -0.16 0.68 103.07 110.76 2b61 h GLY 178 Ca 0.27 0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.74 2b61 h GLY 178 CO -0.22 -0.16 0.48 0.74 0.00 0.00 0.00 176.54 177.37 2b61 h PHE 179 N 0.01 0.91 -0.96 5.60 0.04 -0.91 -1.80 116.94 119.83 2b61 h PHE 179 Ca 0.21 0.02 0.02 0.00 2.80 0.00 0.00 57.97 61.01 2b61 h PHE 179 Cb 0.31 -0.31 -0.05 0.00 2.20 0.00 0.00 35.95 38.11 2b61 h PHE 179 CO -0.37 0.58 0.63 -0.91 -0.60 0.00 0.00 178.31 177.65 2b61 h ASN 180 N 0.98 1.08 -0.24 2.17 4.21 -0.54 -2.66 115.58 120.58 2b61 h ASN 180 Ca 0.26 -0.02 -0.00 0.00 1.21 0.00 0.00 56.30 57.75 2b61 h ASN 180 Cb -0.11 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 36.82 2b61 h ASN 180 CO -0.06 0.77 0.13 -0.74 -1.29 0.00 0.00 177.43 176.25 2b61 h HIS 181 N 1.27 0.33 0.00 1.19 2.76 -0.46 0.36 115.15 120.61 2b61 h HIS 181 Ca 0.36 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.52 2b61 h HIS 181 Cb -0.10 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 28.75 2b61 h HIS 181 CO -0.00 0.29 0.00 0.28 -1.30 0.00 0.00 177.93 177.19 2b61 n VAL 182 N -4.86 0.04 0.00 5.26 0.31 -0.72 -1.16 118.33 117.20 2b61 n VAL 182 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 2b61 n VAL 182 Cb 0.07 -0.34 0.00 0.00 -0.91 0.00 0.00 33.84 32.66 2b61 n VAL 182 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2b61 n ARG 184 N 0.78 0.00 0.02 5.55 1.74 0.11 -1.24 116.66 123.63 2b61 n ARG 184 Ca 0.00 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.07 2b61 n ARG 184 Cb 0.03 0.00 0.28 0.00 -1.02 0.00 0.00 32.46 31.74 2b61 n ARG 184 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2b61 h GLN 185 N 0.00 0.46 -0.75 5.56 1.08 -1.39 -0.35 115.11 119.72 2b61 h GLN 185 Ca 0.00 -0.13 -0.00 0.00 -1.45 0.00 0.00 58.65 57.07 2b61 h GLN 185 Cb 0.00 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.34 2b61 h GLN 185 CO 0.00 0.58 0.47 0.00 -0.95 0.00 0.00 178.83 178.93 2b61 h ALA 186 N 1.45 0.96 0.01 3.87 0.00 -1.43 -1.25 119.26 122.87 2b61 h ALA 186 Ca 0.08 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2b61 h ALA 186 Cb 0.46 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2b61 h ALA 186 CO 0.03 0.41 -0.00 0.28 0.00 0.00 0.00 179.25 179.96 2b61 h VAL 187 N 1.02 1.34 0.00 0.00 2.07 -1.52 -3.17 116.25 116.00 2b61 h VAL 187 Ca 0.27 -1.03 -0.07 0.00 0.82 0.00 0.00 66.70 66.69 2b61 h VAL 187 Cb -0.06 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2b61 h VAL 187 CO -0.05 0.27 -0.32 0.40 0.02 0.00 0.00 177.57 177.89 2b61 h ILE 188 N -0.45 1.07 -0.11 4.57 2.04 -0.97 -1.95 117.51 121.70 2b61 h ILE 188 Ca -0.00 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.72 2b61 h ILE 188 Cb 0.44 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 2b61 h ILE 188 CO 0.00 0.31 0.00 0.59 0.00 0.00 0.00 178.15 179.05 2b61 n ASN 189 N -3.93 1.48 -4.74 1.72 3.02 -0.48 -4.80 115.26 107.52 2b61 n ASN 189 Ca -0.02 -1.61 -0.42 0.00 -0.03 0.00 0.00 54.58 52.51 2b61 n ASN 189 Cb 0.38 -0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 39.47 2b61 n ASN 189 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2b61 s ASP 190 N -1.72 6.53 0.44 6.41 -1.08 -0.74 -4.88 116.67 121.65 2b61 s ASP 190 Ca 0.34 2.76 0.30 0.00 -0.52 0.00 0.00 52.55 55.44 2b61 s ASP 190 Cb 0.18 -2.62 1.59 0.00 -1.46 0.00 0.00 42.92 40.61 2b61 s ASP 190 CO 0.29 -0.81 1.92 1.55 0.52 0.00 0.00 175.17 178.64 2b61 h PRO 191 N 5.37 0.00 -0.19 4.34 0.13 -1.89 -1.91 132.00 137.85 2b61 h PRO 191 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2b61 h PRO 191 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2b61 h PRO 191 CO 0.82 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.68 2b61 n ASN 192 N -2.57 3.14 -0.27 1.44 5.03 -1.26 -4.54 115.26 116.24 2b61 n ASN 192 Ca -0.02 -1.97 -0.01 0.00 0.87 0.00 0.00 54.58 53.46 2b61 n ASN 192 Cb 0.08 -0.11 0.18 0.00 -1.02 0.00 0.00 39.78 38.91 2b61 n ASN 192 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 2b61 h PHE 193 N 4.43 1.07 -6.51 3.10 3.57 -1.63 -3.39 116.94 117.58 2b61 h PHE 193 Ca 0.00 0.00 -0.51 0.00 3.53 0.00 0.00 57.97 61.00 2b61 h PHE 193 Cb 0.96 -0.35 -0.09 0.00 2.79 0.00 0.00 35.95 39.26 2b61 h PHE 193 CO 0.11 0.70 -0.84 -1.71 -2.23 0.00 0.00 178.31 174.34 2b61 n ASN 194 N -4.38 -2.18 -0.32 0.41 5.15 -1.26 -0.86 115.26 111.82 2b61 n ASN 194 Ca 0.09 -0.95 -0.04 0.00 -0.60 0.00 0.00 54.58 53.07 2b61 n ASN 194 Cb 0.06 -3.19 -0.02 0.00 -0.53 0.00 0.00 39.78 36.10 2b61 n ASN 194 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2b61 n GLY 195 N -1.71 0.47 0.00 8.20 0.00 -1.26 -1.50 105.19 109.39 2b61 n GLY 195 Ca -0.12 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2b61 n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b61 n GLY 196 N 0.15 0.52 2.90 -0.02 0.00 -0.04 -4.41 105.19 104.29 2b61 n GLY 196 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2b61 n GLY 196 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2b61 n ASP 197 N 0.00 6.44 -0.82 1.61 8.00 -0.56 -3.90 116.55 127.32 2b61 n ASP 197 Ca 0.00 -3.47 0.08 0.00 0.71 0.00 0.00 54.79 52.11 2b61 n ASP 197 Cb 0.00 -1.21 0.15 0.00 -0.02 0.00 0.00 41.12 40.04 2b61 n ASP 197 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2b61 n TYR 198 N 1.01 0.35 0.27 1.24 0.18 -1.26 -4.66 117.16 114.29 2b61 n TYR 198 Ca 0.30 -0.25 0.16 0.00 1.88 0.00 0.00 57.90 60.00 2b61 n TYR 198 Cb 0.32 -0.01 0.60 0.00 -0.38 0.00 0.00 39.34 39.88 2b61 n TYR 198 CO 0.00 0.00 0.00 1.88 -2.08 0.00 0.00 176.86 176.66 2b61 h TYR 199 N 3.21 0.00 -0.02 -3.48 0.05 -1.91 -1.97 116.97 112.84 2b61 h TYR 199 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2b61 h TYR 199 Cb 0.78 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.52 2b61 h TYR 199 CO 0.17 0.01 -0.12 0.39 -1.05 0.00 0.00 178.16 177.57 2b61 n GLU 200 N -3.11 1.71 0.00 4.88 1.02 -1.26 -4.96 120.64 118.92 2b61 n GLU 200 Ca 0.01 -1.26 0.00 0.00 -0.02 0.00 0.00 57.16 55.89 2b61 n GLU 200 Cb 0.34 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 2b61 n GLU 200 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2b61 n GLY 201 N 1.31 5.26 3.71 0.62 0.00 -0.74 -5.12 105.19 110.23 2b61 n GLY 201 Ca 0.14 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 2b61 n GLY 201 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b61 s THR 202 N 1.92 4.83 0.68 2.61 2.01 -1.26 -5.04 115.64 121.39 2b61 s THR 202 Ca 0.00 2.06 -0.11 0.00 0.31 0.00 0.00 61.69 63.95 2b61 s THR 202 Cb 0.00 -4.32 -0.00 0.00 0.01 0.00 0.00 72.50 68.19 2b61 s THR 202 CO 0.00 0.18 1.05 -2.16 -0.69 0.00 0.00 174.62 173.00 2b61 s PRO 203 N 0.88 3.09 -1.48 4.92 0.04 -1.26 -4.77 135.00 136.42 2b61 s PRO 203 Ca 0.51 0.91 -0.11 0.00 0.04 0.00 0.00 61.00 62.35 2b61 s PRO 203 Cb -0.21 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 2b61 s PRO 203 CO 0.28 -0.97 2.64 -0.35 0.04 0.00 0.00 177.00 178.64 2b61 n PRO 204 N -3.04 3.23 -0.09 0.56 -0.04 -1.26 -4.68 135.00 129.67 2b61 n PRO 204 Ca 0.07 -2.22 -0.06 0.00 -0.04 0.00 0.00 63.50 61.24 2b61 n PRO 204 Cb 0.54 -2.91 0.12 0.00 -0.04 0.00 0.00 33.50 31.21 2b61 n PRO 204 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2b61 h ASP 205 N 5.52 0.77 0.18 3.54 3.32 -1.96 -2.13 116.42 125.67 2b61 h ASP 205 Ca 0.74 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.54 2b61 h ASP 205 Cb 0.38 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2b61 h ASP 205 CO 1.79 0.92 -0.09 1.56 -1.72 0.00 0.00 179.24 181.71 2b61 h GLN 206 N 0.70 -0.24 -0.45 3.56 4.20 -1.97 -1.72 115.11 119.18 2b61 h GLN 206 Ca 0.11 0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.78 2b61 h GLN 206 Cb 0.62 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 2b61 h GLN 206 CO 0.04 -0.08 0.05 0.78 -0.67 0.00 0.00 178.83 178.95 2b61 h GLY 207 N -0.34 0.83 1.01 3.46 0.00 -1.74 -2.15 103.07 104.14 2b61 h GLY 207 Ca -0.03 -0.57 -0.07 0.00 0.00 0.00 0.00 47.33 46.67 2b61 h GLY 207 CO 0.04 0.53 0.09 -2.00 0.00 0.00 0.00 176.54 175.20 2b61 h LEU 208 N 0.62 0.89 -0.26 3.11 5.85 -1.38 -0.49 115.31 123.65 2b61 h LEU 208 Ca 0.13 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 2b61 h LEU 208 Cb 0.42 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 2b61 h LEU 208 CO 0.01 0.92 0.16 -1.28 -0.34 0.00 0.00 178.44 177.91 2b61 h SER 209 N 0.82 0.31 -0.34 1.25 0.87 -1.24 -0.45 113.55 114.76 2b61 h SER 209 Ca 0.17 -0.05 0.03 0.00 -1.23 0.00 0.00 61.79 60.71 2b61 h SER 209 Cb 0.42 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 2b61 h SER 209 CO 0.01 0.26 0.16 0.40 -0.53 0.00 0.00 176.83 177.14 2b61 h ILE 210 N 0.33 0.98 -0.69 2.23 2.04 -1.22 -2.36 117.51 118.81 2b61 h ILE 210 Ca 0.09 -0.12 0.07 0.00 1.00 0.00 0.00 64.86 65.91 2b61 h ILE 210 Cb 0.01 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 36.64 2b61 h ILE 210 CO -0.02 0.06 0.37 0.00 0.00 0.00 0.00 178.15 178.57 2b61 h ALA 211 N 1.18 0.93 0.00 1.87 0.00 -0.86 -1.86 119.26 120.52 2b61 h ALA 211 Ca 0.14 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2b61 h ALA 211 Cb 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2b61 h ALA 211 CO -0.10 0.03 0.00 -2.13 0.00 0.00 0.00 179.25 177.04 2b61 n ARG 212 N -4.80 0.15 0.00 0.00 3.00 -0.20 -1.11 116.66 113.70 2b61 n ARG 212 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.94 2b61 n ARG 212 Cb 0.20 -1.36 0.00 0.00 0.00 0.00 0.00 32.46 31.30 2b61 n ARG 212 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2b61 n LEU 214 N 0.84 0.00 -0.98 6.15 7.94 -0.70 -4.66 117.00 125.59 2b61 n LEU 214 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2b61 n LEU 214 Cb 0.07 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.02 2b61 n LEU 214 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 2b61 n GLY 215 N 0.00 0.00 0.95 -3.96 0.00 -0.26 -3.00 105.19 98.92 2b61 n GLY 215 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2b61 n GLY 215 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2b61 n LEU 217 N 0.63 0.00 0.00 0.99 4.77 -1.26 -2.64 117.00 119.49 2b61 n LEU 217 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 2b61 n LEU 217 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 2b61 n LEU 217 CO 0.00 0.00 -0.06 0.35 -1.33 0.00 0.00 177.39 176.35 2b61 n THR 218 N 0.00 0.02 0.14 -5.08 -2.24 -1.16 -4.60 114.28 101.35 2b61 n THR 218 Ca 0.00 -0.09 0.12 0.00 -2.27 0.00 0.00 64.05 61.81 2b61 n THR 218 Cb 0.00 0.69 0.02 0.00 -2.10 0.00 0.00 70.33 68.93 2b61 n THR 218 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 2b61 h TYR 219 N 0.00 0.00 0.00 4.78 0.05 -1.83 -3.33 116.97 116.65 2b61 h TYR 219 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2b61 h TYR 219 Cb 0.59 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.33 2b61 h TYR 219 CO 0.00 0.00 0.00 0.54 -1.05 0.00 0.00 178.16 177.65 2b61 n ARG 220 N -2.66 2.86 -4.11 4.88 1.74 -1.26 -0.57 116.66 117.54 2b61 n ARG 220 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 2b61 n ARG 220 Cb 0.54 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.88 2b61 n ARG 220 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2b61 s THR 221 N 4.07 0.44 0.36 0.55 -4.23 -1.23 -4.35 115.64 111.25 2b61 s THR 221 Ca 0.00 -1.69 0.04 0.00 -1.18 0.00 0.00 61.69 58.86 2b61 s THR 221 Cb 0.00 -1.36 0.27 0.00 1.34 0.00 0.00 72.50 72.75 2b61 s THR 221 CO 0.00 -0.83 2.01 -2.24 -0.54 0.00 0.00 174.62 173.02 2b61 h ASP 222 N 3.37 0.66 -0.65 3.99 2.03 -1.93 -2.23 116.42 121.67 2b61 h ASP 222 Ca -0.35 -0.01 -0.02 0.00 -0.73 0.00 0.00 57.03 55.92 2b61 h ASP 222 Cb 1.16 -0.16 -0.03 0.00 -0.83 0.00 0.00 39.33 39.47 2b61 h ASP 222 CO 0.60 0.47 0.31 0.25 -1.03 0.00 0.00 179.24 179.84 2b61 h LEU 223 N 0.78 0.85 -0.82 0.15 5.85 -1.95 -0.32 115.31 119.84 2b61 h LEU 223 Ca 0.23 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 2b61 h LEU 223 Cb -0.02 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 2b61 h LEU 223 CO -0.06 0.75 0.50 -0.61 -0.34 0.00 0.00 178.44 178.68 2b61 h GLN 224 N 0.89 1.11 -0.15 1.25 -0.00 -1.60 -0.13 115.11 116.48 2b61 h GLN 224 Ca 0.22 -0.09 -0.13 0.00 -0.00 0.00 0.00 58.65 58.64 2b61 h GLN 224 Cb 0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 27.48 27.36 2b61 h GLN 224 CO -0.03 0.77 -0.48 -0.07 0.00 0.00 0.00 178.83 179.02 2b61 h LEU 225 N 1.12 0.42 -0.87 -2.39 3.38 -1.13 -0.25 115.31 115.60 2b61 h LEU 225 Ca 0.30 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 2b61 h LEU 225 Cb -0.06 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 2b61 h LEU 225 CO -0.06 0.84 0.22 0.00 0.09 0.00 0.00 178.44 179.53 2b61 h ALA 226 N 1.17 1.08 -0.25 1.53 0.00 -0.52 -0.91 119.26 121.38 2b61 h ALA 226 Ca 0.02 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.57 2b61 h ALA 226 Cb 0.96 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2b61 h ALA 226 CO 0.08 0.63 -0.39 0.87 0.00 0.00 0.00 179.25 180.43 2b61 h LYS 227 N 1.02 0.70 -0.18 0.00 1.57 -0.70 -2.22 116.57 116.75 2b61 h LYS 227 Ca 0.23 -0.43 -0.16 0.00 -1.87 0.00 0.00 60.65 58.42 2b61 h LYS 227 Cb 0.28 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2b61 h LYS 227 CO -0.01 1.05 -0.51 0.00 -0.57 0.00 0.00 179.45 179.41 2b61 h ALA 228 N 0.65 0.31 0.00 3.86 0.00 -0.92 -3.42 119.26 119.73 2b61 h ALA 228 Ca 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2b61 h ALA 228 Cb 0.99 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2b61 h ALA 228 CO 0.09 0.49 -0.65 1.19 0.00 0.00 0.00 179.25 180.37 2b61 n PHE 229 N -4.16 0.00 -0.44 0.00 3.72 -0.38 -5.07 117.46 111.13 2b61 n PHE 229 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 2b61 n PHE 229 Cb 0.60 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 2b61 n PHE 229 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2b61 n GLY 230 N 2.79 2.67 1.80 1.37 0.00 -0.83 -1.73 105.19 111.24 2b61 n GLY 230 Ca 0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 2b61 n GLY 230 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2b61 n ARG 231 N 14.00 2.74 -1.74 1.61 1.74 -1.26 -4.77 116.66 128.97 2b61 n ARG 231 Ca 0.00 -3.07 -0.42 0.00 -0.77 0.00 0.00 57.85 53.60 2b61 n ARG 231 Cb 0.00 -2.08 -0.00 0.00 -1.02 0.00 0.00 32.46 29.35 2b61 n ARG 231 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2b61 n ALA 232 N -0.74 1.98 -2.80 7.54 0.00 -0.71 -4.87 120.51 120.91 2b61 n ALA 232 Ca 0.44 0.35 -0.28 0.00 0.00 0.00 0.00 53.44 53.95 2b61 n ALA 232 Cb 1.37 -2.36 -0.06 0.00 0.00 0.00 0.00 19.45 18.40 2b61 n ALA 232 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2b61 s THR 233 N -1.04 4.54 0.25 0.00 -4.23 -1.26 -0.40 115.64 113.49 2b61 s THR 233 Ca 0.55 -0.94 -0.30 0.00 -1.18 0.00 0.00 61.69 59.82 2b61 s THR 233 Cb -0.51 -3.27 -0.09 0.00 1.34 0.00 0.00 72.50 69.97 2b61 s THR 233 CO 0.62 -0.02 1.09 -0.75 -0.54 0.00 0.00 174.62 175.03 2b61 s LYS 234 N -2.84 4.64 0.19 3.99 2.20 0.36 -4.60 119.74 123.68 2b61 s LYS 234 Ca 0.30 1.76 -0.10 0.00 -0.36 0.00 0.00 55.97 57.58 2b61 s LYS 234 Cb -0.11 -3.22 0.11 0.00 -1.51 0.00 0.00 37.83 33.10 2b61 s LYS 234 CO 0.23 0.19 1.73 0.66 -0.36 0.00 0.00 175.35 177.80 2b61 h SER 235 N 4.24 0.99 -2.17 1.43 4.64 -1.96 -3.21 113.55 117.50 2b61 h SER 235 Ca -0.46 -0.20 -0.57 0.00 -0.47 0.00 0.00 61.79 60.09 2b61 h SER 235 Cb 1.21 -0.26 -0.41 0.00 -0.31 0.00 0.00 62.40 62.63 2b61 h SER 235 CO 0.69 0.93 -0.77 -0.90 -0.87 0.00 0.00 176.83 175.90 2b61 n ASP 236 N -4.33 3.04 -2.53 4.97 3.85 -1.26 -5.10 116.55 115.19 2b61 n ASP 236 Ca 0.05 -3.35 -0.07 0.00 -0.71 0.00 0.00 54.79 50.72 2b61 n ASP 236 Cb 0.21 -0.62 0.05 0.00 -1.35 0.00 0.00 41.12 39.41 2b61 n ASP 236 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2b61 n GLY 237 N 0.51 -1.59 3.06 6.12 0.00 -1.22 -5.07 105.19 107.01 2b61 n GLY 237 Ca 0.28 -1.62 -0.11 0.00 0.00 0.00 0.00 46.02 44.58 2b61 n GLY 237 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2b61 s SER 238 N -2.14 0.04 0.18 1.61 1.04 -0.51 -4.96 113.70 108.95 2b61 s SER 238 Ca 0.17 -0.18 -0.12 0.00 0.48 0.00 0.00 55.95 56.30 2b61 s SER 238 Cb -0.01 0.19 0.08 0.00 0.10 0.00 0.00 66.02 66.39 2b61 s SER 238 CO 0.12 -0.29 1.74 -0.26 0.98 0.00 0.00 173.24 175.53 2b61 h PHE 239 N 4.67 0.90 -0.03 5.02 0.04 -1.99 -2.76 116.94 122.79 2b61 h PHE 239 Ca -0.30 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.41 2b61 h PHE 239 Cb 1.20 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 39.07 2b61 h PHE 239 CO 0.57 0.71 0.00 0.91 -0.60 0.00 0.00 178.31 179.90 2b61 n TRP 240 N -4.48 0.02 0.00 -0.55 5.03 -1.26 -4.87 117.44 111.33 2b61 n TRP 240 Ca 0.04 -0.01 0.00 0.00 3.03 0.00 0.00 57.50 60.56 2b61 n TRP 240 Cb 0.15 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.43 2b61 n TRP 240 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2b61 n GLY 241 N 1.21 4.34 3.62 6.99 0.00 -1.04 -5.09 105.19 115.23 2b61 n GLY 241 Ca 0.18 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 2b61 n GLY 241 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2b61 s ASP 242 N 1.00 6.76 -0.11 1.61 1.01 -1.24 -4.76 116.67 120.93 2b61 s ASP 242 Ca 0.00 0.82 -0.05 0.00 0.71 0.00 0.00 52.55 54.04 2b61 s ASP 242 Cb 0.00 -2.44 -0.05 0.00 1.01 0.00 0.00 42.92 41.44 2b61 s ASP 242 CO 0.00 -0.65 -0.14 0.00 0.21 0.00 0.00 175.17 174.59 2b61 n TYR 243 N 6.30 0.00 -3.28 4.23 9.36 -1.23 -1.43 117.16 131.11 2b61 n TYR 243 Ca 0.06 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 60.98 2b61 n TYR 243 Cb 0.48 -0.41 -0.04 0.00 -0.63 0.00 0.00 39.34 38.74 2b61 n TYR 243 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 2b61 s PHE 244 N -2.21 3.45 0.31 2.98 0.08 -1.26 -0.49 117.98 120.85 2b61 s PHE 244 Ca -0.16 0.81 0.03 0.00 0.12 0.00 0.00 56.93 57.73 2b61 s PHE 244 Cb 0.06 -2.23 0.61 0.00 -0.57 0.00 0.00 43.02 40.89 2b61 s PHE 244 CO 0.21 0.16 1.89 1.96 -0.10 0.00 0.00 175.22 179.34 2b61 h GLN 245 N 1.94 0.90 -0.34 0.44 1.08 -0.98 -1.06 115.11 117.09 2b61 h GLN 245 Ca -0.47 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 56.66 2b61 h GLN 245 Cb 1.18 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 28.39 2b61 h GLN 245 CO 0.67 0.60 0.15 -0.24 -0.95 0.00 0.00 178.83 179.05 2b61 h VAL 246 N 0.93 1.13 -0.28 -0.54 3.04 -1.86 -0.36 116.25 118.31 2b61 h VAL 246 Ca 0.42 -0.38 -0.13 0.00 -1.01 0.00 0.00 66.70 65.59 2b61 h VAL 246 Cb 0.37 0.71 -0.00 0.00 -2.01 0.00 0.00 31.29 30.36 2b61 h VAL 246 CO -0.18 0.15 -0.35 -0.33 -1.01 0.00 0.00 177.57 175.86 2b61 h GLU 247 N 0.47 0.72 -0.72 4.17 5.08 -1.61 -1.40 114.58 121.30 2b61 h GLU 247 Ca 0.12 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 2b61 h GLU 247 Cb 0.08 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 2b61 h GLU 247 CO -0.01 1.03 0.41 1.03 -1.00 0.00 0.00 179.01 180.46 2b61 h SER 248 N 0.46 0.88 -0.16 1.42 0.87 -0.71 0.15 113.55 116.46 2b61 h SER 248 Ca 0.03 -0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 2b61 h SER 248 Cb 0.93 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.66 2b61 h SER 248 CO 0.08 0.70 -0.03 0.22 -0.53 0.00 0.00 176.83 177.26 2b61 h TYR 249 N 1.00 0.34 -0.54 2.24 3.20 -1.00 -1.60 116.97 120.61 2b61 h TYR 249 Ca 0.26 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 2b61 h TYR 249 Cb 0.00 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 2b61 h TYR 249 CO 0.01 0.57 0.26 -0.07 -1.64 0.00 0.00 178.16 177.29 2b61 h LEU 250 N 0.00 0.70 -0.47 2.82 3.38 -0.89 -0.47 115.31 120.39 2b61 h LEU 250 Ca 0.04 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2b61 h LEU 250 Cb 0.46 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2b61 h LEU 250 CO 0.01 0.63 0.20 0.28 0.09 0.00 0.00 178.44 179.66 2b61 h SER 251 N 0.73 0.65 -0.34 -0.43 0.02 -0.99 0.45 113.55 113.64 2b61 h SER 251 Ca 0.19 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2b61 h SER 251 Cb 0.11 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 2b61 h SER 251 CO -0.02 0.63 0.21 0.22 -1.14 0.00 0.00 176.83 176.72 2b61 h TYR 252 N 0.62 0.44 -0.26 3.45 3.20 -1.00 -1.61 116.97 121.81 2b61 h TYR 252 Ca 0.16 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.89 2b61 h TYR 252 Cb 0.18 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 2b61 h TYR 252 CO 0.00 0.31 -0.44 1.96 -1.64 0.00 0.00 178.16 178.36 2b61 h GLN 253 N 0.45 0.65 -0.63 1.82 1.08 -0.93 -0.24 115.11 117.30 2b61 h GLN 253 Ca 0.12 -0.35 0.02 0.00 -1.45 0.00 0.00 58.65 57.00 2b61 h GLN 253 Cb -0.01 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.40 2b61 h GLN 253 CO -0.02 0.96 0.40 0.78 -0.95 0.00 0.00 178.83 179.99 2b61 h GLY 254 N 0.99 0.90 1.03 3.46 0.00 -0.78 -0.95 103.07 107.72 2b61 h GLY 254 Ca 0.04 -0.31 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 2b61 h GLY 254 CO 0.09 0.27 -0.05 1.70 0.00 0.00 0.00 176.54 178.55 2b61 h LYS 255 N 0.79 0.90 -0.50 4.80 3.64 -0.99 -3.09 116.57 122.12 2b61 h LYS 255 Ca 0.25 -0.31 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 2b61 h LYS 255 Cb -0.01 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 2b61 h LYS 255 CO -0.09 0.96 0.08 -0.22 -2.27 0.00 0.00 179.45 177.91 2b61 h LYS 256 N 0.75 0.79 -0.72 1.90 3.64 -0.78 -2.32 116.57 119.83 2b61 h LYS 256 Ca 0.13 -0.18 0.09 0.00 -1.27 0.00 0.00 60.65 59.42 2b61 h LYS 256 Cb 0.59 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.25 2b61 h LYS 256 CO 0.04 0.74 0.47 0.35 -2.27 0.00 0.00 179.45 178.78 2b61 h PHE 257 N 0.75 0.69 0.00 1.91 3.57 -1.09 -1.65 116.94 121.12 2b61 h PHE 257 Ca 0.16 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 2b61 h PHE 257 Cb 0.34 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 2b61 h PHE 257 CO 0.02 0.34 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.35 2b61 h LEU 258 N 0.66 0.00 -1.48 0.59 3.38 -1.43 -1.20 115.31 115.83 2b61 h LEU 258 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 2b61 h LEU 258 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2b61 h LEU 258 CO -0.11 0.02 0.00 -0.33 0.09 0.00 0.00 178.44 178.10 2b61 h GLU 259 N 0.00 0.00 0.00 1.13 5.08 -1.40 -3.32 114.58 116.06 2b61 h GLU 259 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2b61 h GLU 259 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2b61 h GLU 259 CO 0.00 0.00 0.00 2.89 -1.00 0.00 0.00 179.01 180.90 2b61 n ARG 260 N -3.04 -0.01 -4.02 2.33 1.85 -0.50 -5.08 116.66 108.19 2b61 n ARG 260 Ca 0.01 -0.32 -0.10 0.00 -1.00 0.00 0.00 57.85 56.44 2b61 n ARG 260 Cb 0.29 -0.80 -0.11 0.00 -1.05 0.00 0.00 32.46 30.79 2b61 n ARG 260 CO 0.00 0.00 0.00 0.12 -0.01 0.00 0.00 177.63 177.74 2b61 s PHE 261 N -0.09 0.42 -0.14 2.89 5.36 -0.90 -4.91 117.98 120.61 2b61 s PHE 261 Ca 0.00 -0.62 -0.05 0.00 -0.96 0.00 0.00 56.93 55.31 2b61 s PHE 261 Cb 0.00 -0.28 -0.04 0.00 -0.34 0.00 0.00 43.02 42.36 2b61 s PHE 261 CO 0.00 -0.19 0.03 0.34 -1.46 0.00 0.00 175.22 173.94 2b61 s ASP 262 N -1.77 5.43 0.16 6.13 2.15 -1.26 -4.76 116.67 122.75 2b61 s ASP 262 Ca -0.10 0.11 -0.16 0.00 0.43 0.00 0.00 52.55 52.84 2b61 s ASP 262 Cb -0.07 -1.76 0.07 0.00 -0.30 0.00 0.00 42.92 40.85 2b61 s ASP 262 CO -0.02 0.28 1.77 0.00 -0.17 0.00 0.00 175.17 177.02 2b61 h ALA 263 N 5.94 0.47 -0.93 3.66 0.00 -1.98 -1.76 119.26 124.66 2b61 h ALA 263 Ca -0.43 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2b61 h ALA 263 Cb 1.19 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 2b61 h ALA 263 CO 0.62 -0.20 0.55 -0.91 0.00 0.00 0.00 179.25 179.31 2b61 h ASN 264 N 0.36 1.12 -0.59 0.00 -0.26 -1.96 -0.99 115.58 113.27 2b61 h ASN 264 Ca 0.17 -0.07 0.01 0.00 -0.56 0.00 0.00 56.30 55.85 2b61 h ASN 264 Cb 0.10 -0.28 -0.03 0.00 -1.06 0.00 0.00 38.32 37.05 2b61 h ASN 264 CO -0.14 0.87 0.38 -1.28 -1.06 0.00 0.00 177.43 176.20 2b61 h SER 265 N 1.28 0.65 -0.42 5.81 0.87 -1.70 -1.09 113.55 118.95 2b61 h SER 265 Ca 0.33 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.89 2b61 h SER 265 Cb -0.04 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 2b61 h SER 265 CO -0.06 0.46 0.26 0.22 -0.53 0.00 0.00 176.83 177.18 2b61 h TYR 266 N 0.77 0.49 -0.24 2.24 3.20 -0.63 -0.90 116.97 121.90 2b61 h TYR 266 Ca 0.22 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.11 2b61 h TYR 266 Cb -0.06 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 2b61 h TYR 266 CO -0.04 0.29 0.16 -0.07 -1.64 0.00 0.00 178.16 176.86 2b61 h LEU 267 N 0.53 0.27 -0.68 2.82 3.38 -0.83 -0.70 115.31 120.09 2b61 h LEU 267 Ca 0.16 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 2b61 h LEU 267 Cb -0.02 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2b61 h LEU 267 CO -0.06 0.20 0.17 0.45 0.09 0.00 0.00 178.44 179.29 2b61 h HIS 268 N 0.32 1.15 -0.04 1.13 3.86 -0.91 -2.08 115.15 118.58 2b61 h HIS 268 Ca 0.09 -0.14 -0.20 0.00 -1.16 0.00 0.00 60.37 58.96 2b61 h HIS 268 Cb -0.04 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 28.11 2b61 h HIS 268 CO -0.06 0.94 -0.82 -0.07 0.86 0.00 0.00 177.93 178.78 2b61 h LEU 269 N 1.02 0.46 -0.63 2.43 3.38 -1.11 -1.45 115.31 119.41 2b61 h LEU 269 Ca 0.21 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.88 2b61 h LEU 269 Cb 0.37 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 2b61 h LEU 269 CO 0.00 1.10 0.39 -0.07 0.09 0.00 0.00 178.44 179.95 2b61 h LEU 270 N 0.23 0.63 -0.58 1.67 3.38 -0.99 -0.37 115.31 119.29 2b61 h LEU 270 Ca -0.05 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 2b61 h LEU 270 Cb 1.42 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 2b61 h LEU 270 CO 0.14 0.44 -0.25 -0.09 0.09 0.00 0.00 178.44 178.77 2b61 h ARG 271 N 0.76 0.87 -0.91 1.13 9.65 -1.26 -0.39 114.38 124.24 2b61 h ARG 271 Ca 0.25 -0.38 0.01 0.00 -1.10 0.00 0.00 59.98 58.77 2b61 h ARG 271 Cb 0.02 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.53 2b61 h ARG 271 CO -0.10 1.02 0.60 0.00 2.80 0.00 0.00 179.97 184.29 2b61 h ALA 272 N 0.96 1.15 0.27 2.80 0.00 -0.90 -3.05 119.26 120.49 2b61 h ALA 272 Ca 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2b61 h ALA 272 Cb 0.80 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2b61 h ALA 272 CO 0.07 0.54 -0.13 1.25 0.00 0.00 0.00 179.25 180.98 2b61 h LEU 273 N 1.22 -0.30 -3.25 0.00 6.46 -0.78 -2.52 115.31 116.14 2b61 h LEU 273 Ca 0.33 -0.16 -0.00 0.00 -0.12 0.00 0.00 57.88 57.94 2b61 h LEU 273 Cb -0.13 0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 39.88 2b61 h LEU 273 CO -0.08 -0.01 -0.00 -0.90 -0.62 0.00 0.00 178.44 176.84 2b61 n ASP 274 N -5.14 4.07 -0.21 1.25 5.68 -0.18 -4.70 116.55 117.32 2b61 n ASP 274 Ca -0.09 -2.07 0.00 0.00 -0.50 0.00 0.00 54.79 52.12 2b61 n ASP 274 Cb 0.24 -0.86 0.00 0.00 -1.14 0.00 0.00 41.12 39.35 2b61 n ASP 274 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2b61 n TYR 276 N 1.63 -0.17 -3.50 2.11 9.36 -0.95 -4.67 117.16 120.98 2b61 n TYR 276 Ca 0.00 0.09 -0.21 0.00 3.32 0.00 0.00 57.90 61.11 2b61 n TYR 276 Cb 0.38 -1.72 -0.13 0.00 -0.63 0.00 0.00 39.34 37.24 2b61 n TYR 276 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2b61 s ASP 277 N -0.73 1.95 0.18 2.98 -1.08 -1.26 -4.65 116.67 114.06 2b61 s ASP 277 Ca 0.00 -0.56 0.17 0.00 -0.52 0.00 0.00 52.55 51.64 2b61 s ASP 277 Cb 0.00 0.19 0.79 0.00 -1.46 0.00 0.00 42.92 42.44 2b61 s ASP 277 CO 0.00 -0.36 1.52 -0.81 0.52 0.00 0.00 175.17 176.04 2b61 n PRO 278 N 5.30 0.11 0.01 4.34 -0.04 -1.26 -2.00 135.00 141.45 2b61 n PRO 278 Ca -0.05 0.47 0.14 0.00 -0.04 0.00 0.00 63.50 64.02 2b61 n PRO 278 Cb 0.48 -1.76 0.59 0.00 -0.04 0.00 0.00 33.50 32.76 2b61 n PRO 278 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2b61 n SER 279 N -1.97 0.08 -4.68 3.54 3.41 -1.26 -4.82 113.62 107.91 2b61 n SER 279 Ca 0.01 0.47 -0.42 0.00 -0.26 0.00 0.00 58.87 58.67 2b61 n SER 279 Cb 0.12 -0.48 -0.03 0.00 -0.26 0.00 0.00 64.21 63.56 2b61 n SER 279 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2b61 s LEU 280 N -3.10 4.37 0.00 1.04 2.96 -0.85 -0.84 118.68 122.26 2b61 s LEU 280 Ca 0.14 2.49 0.00 0.00 -0.22 0.00 0.00 54.13 56.53 2b61 s LEU 280 Cb 0.19 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.32 2b61 s LEU 280 CO 0.54 -0.93 0.00 0.61 -1.32 0.00 0.00 176.35 175.25 2b61 n GLY 281 N 4.13 0.83 3.57 7.98 0.00 -1.26 -5.05 105.19 115.38 2b61 n GLY 281 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 2b61 n GLY 281 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2b61 s TYR 282 N -3.03 2.13 0.13 1.61 2.02 -0.02 -5.06 117.35 115.13 2b61 s TYR 282 Ca 0.00 -0.89 -0.16 0.00 -0.37 0.00 0.00 57.07 55.65 2b61 s TYR 282 Cb 0.00 -1.50 -0.01 0.00 -0.40 0.00 0.00 41.96 40.05 2b61 s TYR 282 CO 0.00 0.17 1.67 1.49 -1.57 0.00 0.00 175.55 177.31 2b61 h GLU 283 N 1.83 0.60 -2.56 -0.62 4.81 -1.96 -3.48 114.58 113.21 2b61 h GLU 283 Ca -0.42 -0.11 0.14 0.00 -0.13 0.00 0.00 59.36 58.83 2b61 h GLU 283 Cb 1.26 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.50 2b61 h GLU 283 CO 0.73 0.58 0.50 0.54 -0.73 0.00 0.00 179.01 180.63 2b61 s ASN 284 N -5.87 -0.05 0.25 1.04 2.20 -1.26 -5.03 114.94 106.21 2b61 s ASN 284 Ca -0.13 -0.67 -0.04 0.00 -0.94 0.00 0.00 52.86 51.08 2b61 s ASN 284 Cb 0.10 0.56 0.30 0.00 -2.00 0.00 0.00 41.25 40.21 2b61 s ASN 284 CO 0.75 -1.09 1.81 1.62 -2.94 0.00 0.00 177.10 177.25 2b61 h VAL 285 N 2.00 1.24 -0.54 3.54 3.04 -1.91 -1.84 116.25 121.78 2b61 h VAL 285 Ca -0.27 -0.81 -0.01 0.00 -1.01 0.00 0.00 66.70 64.60 2b61 h VAL 285 Cb 1.23 0.50 -0.03 0.00 -2.01 0.00 0.00 31.29 30.98 2b61 h VAL 285 CO 0.33 0.32 0.30 0.50 -1.01 0.00 0.00 177.57 178.01 2b61 h LYS 286 N 0.97 0.75 -0.63 4.17 3.64 -1.97 -0.13 116.57 123.37 2b61 h LYS 286 Ca 0.22 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 2b61 h LYS 286 Cb 0.25 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 2b61 h LYS 286 CO -0.01 0.58 0.35 1.49 -2.27 0.00 0.00 179.45 179.59 2b61 h GLU 287 N 0.72 0.88 0.13 1.90 4.81 -1.90 -0.85 114.58 120.27 2b61 h GLU 287 Ca 0.19 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2b61 h GLU 287 Cb 0.04 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.25 2b61 h GLU 287 CO -0.03 0.66 -0.06 0.00 -0.73 0.00 0.00 179.01 178.85 2b61 h ALA 288 N 1.17 -0.17 0.00 2.92 0.00 -0.92 -3.08 119.26 119.18 2b61 h ALA 288 Ca 0.22 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 2b61 h ALA 288 Cb 0.03 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2b61 h ALA 288 CO -0.04 -0.57 -0.36 -0.07 0.00 0.00 0.00 179.25 178.22 2b61 h LEU 289 N -0.23 0.00 -0.81 0.00 3.38 -0.92 -2.27 115.31 114.46 2b61 h LEU 289 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2b61 h LEU 289 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2b61 h LEU 289 CO 0.03 0.36 0.00 -1.20 0.09 0.00 0.00 178.44 177.72 2b61 n SER 290 N -3.73 0.59 0.23 -0.43 7.64 -0.33 -1.65 113.62 115.93 2b61 n SER 290 Ca -0.01 0.67 0.10 0.00 1.01 0.00 0.00 58.87 60.65 2b61 n SER 290 Cb 0.45 -0.79 0.49 0.00 -1.01 0.00 0.00 64.21 63.35 2b61 n SER 290 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2b61 h ARG 291 N 0.00 0.00 -6.40 1.43 3.08 -1.40 -3.46 114.38 107.63 2b61 h ARG 291 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 2b61 h ARG 291 Cb 0.27 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.32 2b61 h ARG 291 CO 0.00 0.22 0.92 0.42 -1.07 0.00 0.00 179.97 180.46 2b61 s ILE 292 N -3.71 3.40 -0.11 2.04 1.01 -0.66 -4.76 121.20 118.41 2b61 s ILE 292 Ca 0.00 0.81 0.07 0.00 0.00 0.00 0.00 60.65 61.52 2b61 s ILE 292 Cb 0.11 -3.52 -0.09 0.00 0.01 0.00 0.00 42.46 38.96 2b61 s ILE 292 CO 0.63 -0.01 0.19 0.29 0.00 0.00 0.00 174.94 176.05 2b61 n LYS 293 N 5.55 1.79 -1.19 2.79 4.76 -1.26 -4.78 118.16 125.82 2b61 n LYS 293 Ca 0.15 -0.04 -0.31 0.00 -2.87 0.00 0.00 58.31 55.23 2b61 n LYS 293 Cb 0.42 -1.04 0.10 0.00 -1.84 0.00 0.00 35.03 32.67 2b61 n LYS 293 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2b61 s ALA 294 N -2.18 2.16 -0.26 7.82 0.00 -1.26 -4.88 121.76 123.17 2b61 s ALA 294 Ca -0.01 0.31 -0.29 0.00 0.00 0.00 0.00 51.96 51.97 2b61 s ALA 294 Cb 0.05 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.87 2b61 s ALA 294 CO 0.28 -1.89 1.23 0.50 0.00 0.00 0.00 175.76 175.88 2b61 s ARG 295 N -4.86 4.06 -0.26 0.00 3.52 -0.40 -4.30 118.95 116.71 2b61 s ARG 295 Ca 0.62 1.34 -0.03 0.00 -0.13 0.00 0.00 55.73 57.53 2b61 s ARG 295 Cb -0.18 -3.80 0.02 0.00 -1.56 0.00 0.00 34.95 29.43 2b61 s ARG 295 CO 0.56 -0.92 -0.02 -0.47 -0.81 0.00 0.00 175.30 173.64 2b61 s TYR 296 N 3.90 3.07 -0.21 5.12 6.04 0.00 -0.63 117.35 134.64 2b61 s TYR 296 Ca 0.53 -1.30 -0.10 0.00 0.04 0.00 0.00 57.07 56.24 2b61 s TYR 296 Cb -0.17 -2.12 -0.05 0.00 -1.04 0.00 0.00 41.96 38.58 2b61 s TYR 296 CO 0.18 -0.66 0.12 0.99 -1.54 0.00 0.00 175.55 174.64 2b61 s THR 297 N 1.40 5.24 -0.11 4.34 2.01 0.79 -0.47 115.64 128.84 2b61 s THR 297 Ca 0.02 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.16 2b61 s THR 297 Cb -0.16 -3.40 0.02 0.00 0.01 0.00 0.00 72.50 68.96 2b61 s THR 297 CO -0.02 0.42 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.96 2b61 s LEU 298 N 0.59 1.63 -0.12 4.42 2.96 -0.22 -0.48 118.68 127.45 2b61 s LEU 298 Ca 0.07 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 2b61 s LEU 298 Cb -0.12 -1.05 -0.01 0.00 0.50 0.00 0.00 46.19 45.51 2b61 s LEU 298 CO 0.00 -0.02 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.17 2b61 s VAL 299 N 1.15 2.75 -0.15 1.68 1.01 -0.70 -1.41 120.40 124.73 2b61 s VAL 299 Ca -0.03 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 2b61 s VAL 299 Cb -0.14 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 2b61 s VAL 299 CO -0.04 0.53 -0.08 -0.55 0.00 0.00 0.00 175.10 174.96 2b61 s SER 300 N 0.40 4.33 -0.25 3.32 0.15 0.05 -0.50 113.70 121.20 2b61 s SER 300 Ca -0.12 -0.27 -0.17 0.00 0.70 0.00 0.00 55.95 56.09 2b61 s SER 300 Cb -0.16 -1.69 -0.03 0.00 -1.71 0.00 0.00 66.02 62.42 2b61 s SER 300 CO 0.06 0.13 0.47 -0.69 1.20 0.00 0.00 173.24 174.41 2b61 s VAL 301 N 0.55 5.12 0.09 4.45 1.01 -1.26 -2.26 120.40 128.09 2b61 s VAL 301 Ca -0.06 0.80 0.34 0.00 0.00 0.00 0.00 61.98 63.06 2b61 s VAL 301 Cb -0.15 -3.79 0.38 0.00 0.00 0.00 0.00 36.38 32.82 2b61 s VAL 301 CO 0.03 0.14 1.99 0.71 0.00 0.00 0.00 175.10 177.97 2b61 h THR 302 N 5.30 0.00 -0.33 3.92 1.35 -1.47 -1.84 112.91 119.84 2b61 h THR 302 Ca -0.31 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 2b61 h THR 302 Cb 1.15 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 2b61 h THR 302 CO 0.70 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 176.32 2b61 n THR 303 N -2.96 0.46 -1.69 6.82 -2.24 -1.26 -4.64 114.28 108.76 2b61 n THR 303 Ca 0.00 -0.73 -0.43 0.00 -2.27 0.00 0.00 64.05 60.62 2b61 n THR 303 Cb 0.26 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.47 2b61 n THR 303 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2b61 n ASP 304 N 1.34 3.88 -1.14 3.42 -0.08 -0.69 -4.62 116.55 118.66 2b61 n ASP 304 Ca 0.17 1.01 0.12 0.00 -1.51 0.00 0.00 54.79 54.58 2b61 n ASP 304 Cb 0.57 -1.52 0.23 0.00 2.34 0.00 0.00 41.12 42.73 2b61 n ASP 304 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2b61 n GLN 305 N 5.11 2.48 0.03 -0.67 6.02 -1.26 -4.08 117.38 125.00 2b61 n GLN 305 Ca 0.18 -2.24 -0.01 0.00 -0.01 0.00 0.00 57.00 54.92 2b61 n GLN 305 Cb 0.35 -1.51 -0.00 0.00 1.02 0.00 0.00 30.24 30.10 2b61 n GLN 305 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2b61 n LEU 306 N 1.44 0.93 -4.35 1.08 7.94 -1.25 -4.80 117.00 117.98 2b61 n LEU 306 Ca 0.19 0.12 -0.46 0.00 -1.11 0.00 0.00 56.01 54.76 2b61 n LEU 306 Cb 0.59 -0.30 -0.01 0.00 0.53 0.00 0.00 43.42 44.24 2b61 n LEU 306 CO 0.16 -0.53 0.67 -0.36 -1.11 0.00 0.00 177.39 176.21 2b61 s PHE 307 N -2.06 3.89 0.67 1.96 0.08 -1.26 -4.81 117.98 116.45 2b61 s PHE 307 Ca -0.02 -2.22 -0.11 0.00 0.12 0.00 0.00 56.93 54.70 2b61 s PHE 307 Cb 0.01 -3.90 -0.01 0.00 -0.57 0.00 0.00 43.02 38.55 2b61 s PHE 307 CO 0.04 -1.04 1.05 0.15 -0.10 0.00 0.00 175.22 175.31 2b61 s LYS 308 N -0.09 3.17 0.37 0.44 1.02 -1.26 -4.69 119.74 118.70 2b61 s LYS 308 Ca 0.25 0.88 0.15 0.00 0.02 0.00 0.00 55.97 57.27 2b61 s LYS 308 Cb -0.09 -2.02 1.01 0.00 -0.52 0.00 0.00 37.83 36.21 2b61 s LYS 308 CO -0.08 -0.91 1.75 -1.35 -0.92 0.00 0.00 175.35 173.84 2b61 h PRO 309 N -0.58 0.46 -0.81 -1.68 0.11 -1.81 -0.15 132.00 127.54 2b61 h PRO 309 Ca -0.44 -0.03 0.13 0.00 0.11 0.00 0.00 66.00 65.78 2b61 h PRO 309 Cb 1.20 -0.10 -0.09 0.00 0.11 0.00 0.00 31.00 32.12 2b61 h PRO 309 CO 0.59 0.31 0.41 0.97 -0.21 0.00 0.00 178.00 180.06 2b61 h ILE 310 N 0.48 0.75 -0.26 4.15 2.10 -1.98 0.20 117.51 122.95 2b61 h ILE 310 Ca 0.61 -0.21 -0.15 0.00 1.08 0.00 0.00 64.86 66.20 2b61 h ILE 310 Cb 1.39 0.09 -0.00 0.00 -1.09 0.00 0.00 36.82 37.20 2b61 h ILE 310 CO -0.37 0.11 -0.42 0.44 -1.08 0.00 0.00 178.15 176.84 2b61 h ASP 311 N 0.61 0.81 -0.46 2.19 3.32 -1.39 -1.46 116.42 120.04 2b61 h ASP 311 Ca 0.44 -0.52 -0.08 0.00 0.02 0.00 0.00 57.03 56.88 2b61 h ASP 311 Cb 0.59 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 2b61 h ASP 311 CO -0.35 1.18 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.27 2b61 h LEU 312 N 0.47 0.85 -0.47 1.55 -0.00 -0.80 -1.23 115.31 115.68 2b61 h LEU 312 Ca 0.02 -0.22 -0.16 0.00 -0.00 0.00 0.00 57.88 57.52 2b61 h LEU 312 Cb 1.02 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 41.44 2b61 h LEU 312 CO 0.10 0.92 -0.50 1.88 -0.00 0.00 0.00 178.44 180.84 2b61 h TYR 313 N 0.81 0.86 -0.99 1.13 -1.99 -0.60 0.37 116.97 116.56 2b61 h TYR 313 Ca 0.15 -0.29 0.04 0.00 2.00 0.00 0.00 58.73 60.64 2b61 h TYR 313 Cb 0.50 -0.17 -0.06 0.00 2.00 0.00 0.00 36.73 39.00 2b61 h TYR 313 CO 0.03 1.05 0.65 0.87 -0.00 0.00 0.00 178.16 180.76 2b61 h LYS 314 N 0.55 1.20 -0.19 4.88 1.57 -1.07 -0.44 116.57 123.07 2b61 h LYS 314 Ca 0.02 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 2b61 h LYS 314 Cb 1.06 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 33.09 2b61 h LYS 314 CO 0.10 0.79 -0.14 0.77 -0.57 0.00 0.00 179.45 180.41 2b61 h SER 315 N 1.24 0.45 -0.46 0.86 0.02 -0.99 -2.06 113.55 112.61 2b61 h SER 315 Ca 0.40 -0.44 0.08 0.00 -0.84 0.00 0.00 61.79 60.99 2b61 h SER 315 Cb 0.03 -0.13 -0.07 0.00 0.14 0.00 0.00 62.40 62.37 2b61 h SER 315 CO -0.13 0.80 0.02 0.50 -1.14 0.00 0.00 176.83 176.87 2b61 h LYS 316 N 0.11 0.13 -0.36 3.45 3.64 -0.69 -0.16 116.57 122.69 2b61 h LYS 316 Ca 0.04 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2b61 h LYS 316 Cb 0.65 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 2b61 h LYS 316 CO 0.04 0.08 0.16 0.37 -2.27 0.00 0.00 179.45 177.84 2b61 h GLN 317 N 0.13 0.53 -0.74 1.90 4.15 -1.02 -0.86 115.11 119.20 2b61 h GLN 317 Ca 0.23 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 2b61 h GLN 317 Cb 0.33 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.89 2b61 h GLN 317 CO -0.36 0.49 0.42 -0.07 -1.93 0.00 0.00 178.83 177.37 2b61 h LEU 318 N 0.44 0.92 -0.53 -2.39 3.38 -0.95 0.64 115.31 116.82 2b61 h LEU 318 Ca 0.12 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 2b61 h LEU 318 Cb 0.14 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2b61 h LEU 318 CO -0.01 0.75 0.07 -0.07 0.09 0.00 0.00 178.44 179.26 2b61 h LEU 319 N 1.03 0.86 -0.79 1.67 3.38 -0.87 -2.75 115.31 117.85 2b61 h LEU 319 Ca 0.26 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2b61 h LEU 319 Cb 0.02 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2b61 h LEU 319 CO -0.04 0.92 0.15 -0.33 0.09 0.00 0.00 178.44 179.22 2b61 h GLU 320 N 0.78 1.06 0.00 1.13 5.08 -0.81 -2.06 114.58 119.76 2b61 h GLU 320 Ca 0.16 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2b61 h GLU 320 Cb 0.43 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 2b61 h GLU 320 CO 0.01 0.95 -0.06 1.96 -1.00 0.00 0.00 179.01 180.87 2b61 h GLN 321 N 1.01 0.00 -0.63 2.33 4.20 -0.67 -1.09 115.11 120.26 2b61 h GLN 321 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2b61 h GLN 321 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2b61 h GLN 321 CO 0.00 0.06 0.00 0.43 -0.67 0.00 0.00 178.83 178.65 2b61 n SER 322 N -3.66 3.62 -1.29 1.46 7.64 -1.00 -4.97 113.62 115.43 2b61 n SER 322 Ca -0.02 -1.99 -0.12 0.00 1.01 0.00 0.00 58.87 57.75 2b61 n SER 322 Cb 0.16 -0.42 -0.01 0.00 -1.01 0.00 0.00 64.21 62.94 2b61 n SER 322 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2b61 n GLY 323 N 1.58 0.04 3.77 0.23 0.00 -0.41 -4.36 105.19 106.03 2b61 n GLY 323 Ca 0.22 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 2b61 n GLY 323 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b61 s VAL 324 N -2.57 2.55 -1.12 1.61 1.01 -0.81 -4.90 120.40 116.18 2b61 s VAL 324 Ca 0.00 0.51 -0.21 0.00 0.00 0.00 0.00 61.98 62.28 2b61 s VAL 324 Cb 0.00 -3.31 -0.07 0.00 0.00 0.00 0.00 36.38 33.00 2b61 s VAL 324 CO 0.00 0.09 1.92 -0.67 0.00 0.00 0.00 175.10 176.43 2b61 n ASP 325 N 0.26 3.28 -4.88 3.32 2.03 -1.26 -4.80 116.55 114.51 2b61 n ASP 325 Ca 0.03 -2.74 -0.37 0.00 0.52 0.00 0.00 54.79 52.23 2b61 n ASP 325 Cb 0.43 -1.58 -0.06 0.00 -0.72 0.00 0.00 41.12 39.18 2b61 n ASP 325 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2b61 s LEU 326 N 7.03 4.38 -0.25 -2.67 2.96 -1.26 -0.82 118.68 128.06 2b61 s LEU 326 Ca 0.62 0.46 -0.02 0.00 -0.22 0.00 0.00 54.13 54.97 2b61 s LEU 326 Cb 0.05 -2.07 0.08 0.00 0.50 0.00 0.00 46.19 44.74 2b61 s LEU 326 CO 0.11 0.40 0.07 -1.00 -1.32 0.00 0.00 176.35 174.61 2b61 s HIS 327 N -0.99 1.21 -0.14 5.38 3.76 0.38 -4.96 115.29 119.94 2b61 s HIS 327 Ca 0.15 -1.19 -0.04 0.00 -0.15 0.00 0.00 55.06 53.83 2b61 s HIS 327 Cb -0.12 -1.26 -0.03 0.00 1.11 0.00 0.00 32.58 32.27 2b61 s HIS 327 CO 0.04 -0.73 0.02 0.12 -0.85 0.00 0.00 174.74 173.33 2b61 s PHE 328 N 1.79 3.17 0.03 1.40 5.36 -1.26 -1.05 117.98 127.42 2b61 s PHE 328 Ca 0.04 0.03 0.02 0.00 -0.96 0.00 0.00 56.93 56.06 2b61 s PHE 328 Cb -0.17 -1.93 -0.02 0.00 -0.34 0.00 0.00 43.02 40.56 2b61 s PHE 328 CO -0.17 0.24 -0.07 0.71 -1.46 0.00 0.00 175.22 174.46 2b61 s TYR 329 N -0.14 0.65 0.03 10.12 2.02 -0.50 -4.99 117.35 124.53 2b61 s TYR 329 Ca 0.05 -0.41 -0.08 0.00 -0.37 0.00 0.00 57.07 56.26 2b61 s TYR 329 Cb -0.12 -0.39 -0.00 0.00 -0.40 0.00 0.00 41.96 41.04 2b61 s TYR 329 CO 0.02 -0.06 0.16 -1.83 -1.57 0.00 0.00 175.55 172.26 2b61 s GLU 330 N -1.28 0.61 -0.11 -0.62 -1.05 -1.26 -0.77 118.70 114.22 2b61 s GLU 330 Ca -0.07 -0.60 -0.30 0.00 -0.15 0.00 0.00 54.97 53.85 2b61 s GLU 330 Cb -0.08 0.25 0.12 0.00 -0.44 0.00 0.00 34.13 33.97 2b61 s GLU 330 CO 0.00 -0.16 0.96 -0.59 0.95 0.00 0.00 175.26 176.42 2b61 s PHE 331 N -2.25 -0.36 0.46 4.83 -0.12 -0.96 -4.99 117.98 114.60 2b61 s PHE 331 Ca -0.08 0.49 -0.17 0.00 -0.05 0.00 0.00 56.93 57.11 2b61 s PHE 331 Cb -0.03 0.48 -0.09 0.00 -0.63 0.00 0.00 43.02 42.75 2b61 s PHE 331 CO -0.02 -0.41 0.93 -1.25 -0.05 0.00 0.00 175.22 174.42 2b61 s PRO 332 N -1.84 4.03 -0.16 1.99 0.04 -1.26 -1.11 135.00 136.69 2b61 s PRO 332 Ca 0.01 0.94 -0.14 0.00 0.04 0.00 0.00 61.00 61.84 2b61 s PRO 332 Cb -0.01 -2.20 0.04 0.00 0.04 0.00 0.00 34.50 32.38 2b61 s PRO 332 CO -0.02 -0.14 0.43 0.45 0.04 0.00 0.00 177.00 177.76 2b61 s SER 333 N -2.73 -0.46 0.59 6.66 0.15 -1.26 -4.91 113.70 111.75 2b61 s SER 333 Ca 0.59 0.87 0.29 0.00 0.70 0.00 0.00 55.95 58.40 2b61 s SER 333 Cb -0.10 0.87 1.72 0.00 -1.71 0.00 0.00 66.02 66.80 2b61 s SER 333 CO 0.24 -0.15 2.16 0.44 1.20 0.00 0.00 173.24 177.13 2b61 h ASP 334 N 5.66 0.00 0.17 5.45 5.19 -1.98 -2.05 116.42 128.86 2b61 h ASP 334 Ca -0.28 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 2b61 h ASP 334 Cb 1.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.69 2b61 h ASP 334 CO 0.24 0.00 -0.05 -1.22 -3.12 0.00 0.00 179.24 175.09 2b61 n TYR 335 N -3.82 0.00 0.00 4.55 4.01 -1.26 -3.57 117.16 117.07 2b61 n TYR 335 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2b61 n TYR 335 Cb 0.23 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 2b61 n TYR 335 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2b61 n GLY 336 N 1.18 3.10 0.26 2.72 0.00 -0.77 -1.18 105.19 110.50 2b61 n GLY 336 Ca 0.18 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.39 2b61 n GLY 336 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2b61 h HIS 337 N 0.00 0.00 -0.00 1.61 -0.00 -1.48 -1.01 115.15 114.27 2b61 h HIS 337 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2b61 h HIS 337 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2b61 h HIS 337 CO 0.00 0.11 -0.04 -0.25 -0.00 0.00 0.00 177.93 177.76 2b61 n ASP 338 N -3.70 0.23 -0.05 3.26 8.00 0.27 -4.21 116.55 120.35 2b61 n ASP 338 Ca -0.02 -0.56 0.05 0.00 0.71 0.00 0.00 54.79 54.97 2b61 n ASP 338 Cb 0.23 -0.13 0.41 0.00 -0.02 0.00 0.00 41.12 41.61 2b61 n ASP 338 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2b61 h ALA 339 N 3.67 1.73 0.00 2.24 0.00 -1.02 -0.16 119.26 125.72 2b61 h ALA 339 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2b61 h ALA 339 Cb 0.25 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2b61 h ALA 339 CO 0.00 0.22 0.00 1.97 0.00 0.00 0.00 179.25 181.44 2b61 n PHE 340 N -4.47 0.52 0.73 0.00 1.16 -1.26 -0.06 117.46 114.07 2b61 n PHE 340 Ca 0.05 0.22 0.08 0.00 -1.87 0.00 0.00 57.45 55.94 2b61 n PHE 340 Cb 0.12 -0.86 -0.03 0.00 -1.61 0.00 0.00 39.48 37.09 2b61 n PHE 340 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 2b61 n LEU 341 N -1.99 1.29 0.00 5.98 4.77 -0.11 -4.79 117.00 122.14 2b61 n LEU 341 Ca 0.01 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 2b61 n LEU 341 Cb 0.15 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2b61 n LEU 341 CO 0.14 0.26 -0.27 0.52 -1.33 0.00 0.00 177.39 176.71 2b61 n VAL 342 N -0.60 0.00 -2.38 4.08 0.31 -0.69 -4.95 118.33 114.10 2b61 n VAL 342 Ca 0.05 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.96 2b61 n VAL 342 Cb 0.30 -0.59 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 2b61 n VAL 342 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2b61 n ASP 343 N -2.34 5.10 -0.25 4.52 -0.08 0.91 -4.76 116.55 119.64 2b61 n ASP 343 Ca 0.00 -3.10 0.04 0.00 -1.51 0.00 0.00 54.79 50.21 2b61 n ASP 343 Cb 0.27 -1.48 0.27 0.00 2.34 0.00 0.00 41.12 42.51 2b61 n ASP 343 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 2b61 h TYR 344 N 5.84 0.95 -0.82 -0.67 3.20 -1.93 -1.66 116.97 121.90 2b61 h TYR 344 Ca 0.39 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.35 2b61 h TYR 344 Cb 0.65 -0.32 -0.05 0.00 1.54 0.00 0.00 36.73 38.55 2b61 h TYR 344 CO 1.24 0.53 0.53 -0.44 -1.64 0.00 0.00 178.16 178.39 2b61 h ASP 345 N 0.97 0.79 0.60 -2.11 3.32 -1.97 0.93 116.42 118.95 2b61 h ASP 345 Ca 0.34 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.24 2b61 h ASP 345 Cb 0.12 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 2b61 h ASP 345 CO -0.11 0.51 -1.52 0.00 -1.72 0.00 0.00 179.24 176.41 2b61 n GLN 346 N -4.48 0.63 0.06 3.56 6.02 -0.97 -4.33 117.38 117.87 2b61 n GLN 346 Ca 0.12 0.15 0.09 0.00 -0.01 0.00 0.00 57.00 57.35 2b61 n GLN 346 Cb 0.20 -1.76 -0.06 0.00 1.02 0.00 0.00 30.24 29.65 2b61 n GLN 346 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2b61 n PHE 347 N -2.80 0.70 -0.06 1.08 3.72 -0.66 -4.53 117.46 114.91 2b61 n PHE 347 Ca -0.10 0.21 -0.08 0.00 -0.05 0.00 0.00 57.45 57.42 2b61 n PHE 347 Cb 0.82 -0.87 -0.02 0.00 -0.94 0.00 0.00 39.48 38.47 2b61 n PHE 347 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2b61 h GLU 348 N 0.00 -0.25 -0.53 -1.08 4.81 -1.01 -0.58 114.58 115.94 2b61 h GLU 348 Ca -0.04 0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 2b61 h GLU 348 Cb 1.12 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 2b61 h GLU 348 CO 0.01 -0.17 -0.08 -0.22 -0.73 0.00 0.00 179.01 177.82 2b61 h LYS 349 N -0.26 1.00 -0.74 1.92 3.64 -1.84 -0.98 116.57 119.31 2b61 h LYS 349 Ca 0.14 -0.36 0.02 0.00 -1.27 0.00 0.00 60.65 59.19 2b61 h LYS 349 Cb 0.49 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 2b61 h LYS 349 CO -0.43 1.04 0.47 0.00 -2.27 0.00 0.00 179.45 178.27 2b61 h ARG 350 N 0.87 0.91 0.07 1.90 2.47 -1.67 0.61 114.38 119.53 2b61 h ARG 350 Ca 0.14 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.80 2b61 h ARG 350 Cb 0.65 -0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.76 2b61 h ARG 350 CO 0.04 0.60 -0.03 0.82 0.56 0.00 0.00 179.97 181.96 2b61 h ILE 351 N 0.94 1.23 -0.15 2.04 2.04 -0.97 -0.35 117.51 122.29 2b61 h ILE 351 Ca 0.29 -1.11 0.05 0.00 1.00 0.00 0.00 64.86 65.09 2b61 h ILE 351 Cb -0.02 1.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.94 2b61 h ILE 351 CO -0.10 0.27 -0.25 -0.09 0.00 0.00 0.00 178.15 177.99 2b61 h ARG 352 N -0.60 -0.29 -0.71 2.37 2.43 -1.06 -0.72 114.38 115.80 2b61 h ARG 352 Ca -0.01 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 2b61 h ARG 352 Cb 0.51 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 2b61 h ARG 352 CO 0.01 -0.20 0.16 -0.44 -1.51 0.00 0.00 179.97 178.00 2b61 h ASP 353 N -0.31 1.08 -0.18 -3.80 3.32 -0.94 -2.59 116.42 113.01 2b61 h ASP 353 Ca 0.11 -0.24 0.01 0.00 0.02 0.00 0.00 57.03 56.93 2b61 h ASP 353 Cb 0.47 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2b61 h ASP 353 CO -0.32 1.04 0.09 1.23 -1.72 0.00 0.00 179.24 179.56 2b61 h GLY 354 N 1.08 0.24 1.31 2.75 0.00 -0.46 0.66 103.07 108.64 2b61 h GLY 354 Ca 0.22 -0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 2b61 h GLY 354 CO 0.00 0.06 0.13 1.41 0.00 0.00 0.00 176.54 178.15 2b61 h LEU 355 N 0.20 0.81 0.00 3.11 3.38 -1.06 -3.12 115.31 118.62 2b61 h LEU 355 Ca 0.07 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2b61 h LEU 355 Cb 0.01 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.55 2b61 h LEU 355 CO -0.04 0.79 -0.15 0.00 0.09 0.00 0.00 178.44 179.12 2b61 n ALA 356 N -2.46 2.62 -0.30 1.53 0.00 -0.99 -4.68 120.51 116.23 2b61 n ALA 356 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2b61 n ALA 356 Cb 0.23 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.31 2b61 n ALA 356 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b61 n GLY 357 N 1.45 0.84 0.92 0.00 0.00 -0.89 -5.09 105.19 102.43 2b61 n GLY 357 Ca 0.06 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.06 2b61 n GLY 357 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02