#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pml s PRO -3 N 0.00 3.39 1.04 1.61 0.04 -1.26 -5.06 135.00 134.76 2pml s PRO -3 Ca 0.00 -1.27 -0.12 0.00 0.04 0.00 0.00 61.00 59.65 2pml s PRO -3 Cb 0.00 -4.67 0.21 0.00 0.04 0.00 0.00 34.50 30.08 2pml s PRO -3 CO 0.00 -1.85 1.07 -0.51 0.04 0.00 0.00 177.00 175.75 2pml s LEU -2 N 3.59 1.68 0.00 -3.56 1.43 -1.26 -5.07 118.68 115.49 2pml s LEU -2 Ca 0.30 1.67 0.00 0.00 -1.03 0.00 0.00 54.13 55.07 2pml s LEU -2 Cb -0.09 -3.82 0.00 0.00 0.03 0.00 0.00 46.19 42.31 2pml s LEU -2 CO -0.01 -3.55 0.00 0.61 0.23 0.00 0.00 176.35 173.63 2pml n GLY -1 N 0.15 1.09 3.90 -3.19 0.00 -1.26 -5.07 105.19 100.82 2pml n GLY -1 Ca 0.06 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.30 2pml n GLY -1 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pml s SER 0 N -1.00 4.80 0.13 1.61 1.04 -1.26 -4.86 113.70 114.16 2pml s SER 0 Ca 0.00 0.79 -0.20 0.00 0.48 0.00 0.00 55.95 57.02 2pml s SER 0 Cb 0.00 -1.39 -0.03 0.00 0.10 0.00 0.00 66.02 64.70 2pml s SER 0 CO 0.00 -1.70 1.71 -0.03 0.98 0.00 0.00 173.24 174.20 2pml h MET 1 N -0.85 0.02 -0.56 4.02 4.05 -1.97 -1.30 114.93 118.35 2pml h MET 1 Ca -0.45 -0.00 0.11 0.00 -0.28 0.00 0.00 59.70 59.07 2pml h MET 1 Cb 1.31 -0.01 -0.11 0.00 -0.80 0.00 0.00 31.60 31.99 2pml h MET 1 CO 0.64 0.02 -0.27 -0.22 0.23 0.00 0.00 176.91 177.31 2pml h LYS 2 N 0.03 -0.12 0.48 0.39 3.64 -1.94 0.11 116.57 119.15 2pml h LYS 2 Ca 0.10 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 2pml h LYS 2 Cb 0.14 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 2pml h LYS 2 CO -0.19 -0.08 -0.51 -0.44 -2.27 0.00 0.00 179.45 175.96 2pml h ASP 3 N -0.13 -1.40 -0.86 4.20 3.32 -1.76 0.36 116.42 120.15 2pml h ASP 3 Ca 0.24 0.12 0.22 0.00 0.02 0.00 0.00 57.03 57.63 2pml h ASP 3 Cb 0.52 0.47 -0.14 0.00 0.22 0.00 0.00 39.33 40.39 2pml h ASP 3 CO -0.63 -0.66 0.21 0.40 -1.72 0.00 0.00 179.24 176.83 2pml h ILE 4 N -0.99 0.33 0.00 0.35 1.08 -0.74 -1.03 117.51 116.51 2pml h ILE 4 Ca -0.06 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 2pml h ILE 4 Cb 0.87 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.73 2pml h ILE 4 CO -0.08 0.04 -0.55 0.18 -0.69 0.00 0.00 178.15 177.05 2pml n LEU 5 N -5.24 0.65 -0.38 1.44 4.77 -0.02 -4.37 117.00 113.85 2pml n LEU 5 Ca 0.20 0.23 0.30 0.00 -0.03 0.00 0.00 56.01 56.71 2pml n LEU 5 Cb 0.65 -0.21 0.58 0.00 -2.33 0.00 0.00 43.42 42.11 2pml n LEU 5 CO 0.06 -0.03 1.22 0.28 -1.33 0.00 0.00 177.39 177.59 2pml h SER 6 N 0.00 0.34 -0.77 -1.43 0.02 0.11 0.68 113.55 112.50 2pml h SER 6 Ca 0.00 0.12 -0.32 0.00 -0.84 0.00 0.00 61.79 60.75 2pml h SER 6 Cb 0.70 0.08 -0.19 0.00 0.14 0.00 0.00 62.40 63.13 2pml h SER 6 CO 0.00 -0.07 0.36 0.59 -1.14 0.00 0.00 176.83 176.58 2pml n ASN 7 N -4.68 4.13 -4.72 3.07 3.02 -1.26 -4.91 115.26 109.92 2pml n ASN 7 Ca 0.32 -3.42 -0.38 0.00 -0.03 0.00 0.00 54.58 51.07 2pml n ASN 7 Cb 1.17 -0.76 -0.06 0.00 -0.61 0.00 0.00 39.78 39.52 2pml n ASN 7 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2pml s TYR 8 N -3.13 3.49 -1.59 3.10 5.04 0.24 -4.99 117.35 119.51 2pml s TYR 8 Ca 0.54 0.85 0.17 0.00 -2.44 0.00 0.00 57.07 56.19 2pml s TYR 8 Cb 0.45 -2.54 0.58 0.00 0.35 0.00 0.00 41.96 40.79 2pml s TYR 8 CO 0.11 0.15 1.47 -1.13 -1.34 0.00 0.00 175.55 174.81 2pml n SER 9 N 3.77 3.70 -2.72 4.32 3.41 -1.26 -4.08 113.62 120.76 2pml n SER 9 Ca -0.07 -2.20 -0.12 0.00 -0.26 0.00 0.00 58.87 56.23 2pml n SER 9 Cb 0.52 -0.47 0.02 0.00 -0.26 0.00 0.00 64.21 64.01 2pml n SER 9 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2pml n ASN 10 N 1.10 1.61 -4.61 4.04 4.05 -1.26 -5.07 115.26 115.12 2pml n ASN 10 Ca 0.21 -2.83 -0.41 0.00 0.45 0.00 0.00 54.58 52.01 2pml n ASN 10 Cb 0.65 -0.54 -0.07 0.00 1.23 0.00 0.00 39.78 41.05 2pml n ASN 10 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 2pml s LEU 11 N -3.06 4.11 -0.09 1.20 0.20 -1.26 -1.94 118.68 117.85 2pml s LEU 11 Ca 0.30 0.48 -0.01 0.00 0.69 0.00 0.00 54.13 55.59 2pml s LEU 11 Cb 0.44 -2.74 -0.03 0.00 -0.43 0.00 0.00 46.19 43.42 2pml s LEU 11 CO 0.01 -0.38 -0.02 -0.63 -0.29 0.00 0.00 176.35 175.04 2pml s ILE 12 N 2.45 4.16 0.07 6.68 1.01 0.19 -4.98 121.20 130.78 2pml s ILE 12 Ca 0.23 -0.30 -0.31 0.00 0.00 0.00 0.00 60.65 60.27 2pml s ILE 12 Cb -0.15 -2.74 -0.06 0.00 0.01 0.00 0.00 42.46 39.51 2pml s ILE 12 CO 0.10 0.60 1.31 -0.31 0.00 0.00 0.00 174.94 176.64 2pml s TYR 13 N -0.80 3.25 0.19 3.97 2.02 -1.26 -1.37 117.35 123.36 2pml s TYR 13 Ca 0.12 1.08 -0.32 0.00 -0.37 0.00 0.00 57.07 57.58 2pml s TYR 13 Cb -0.11 -3.56 -0.11 0.00 -0.40 0.00 0.00 41.96 37.77 2pml s TYR 13 CO 0.02 -1.91 1.68 -1.17 -1.57 0.00 0.00 175.55 172.60 2pml s LEU 14 N 1.36 4.37 -0.33 -1.29 2.96 -1.04 -4.81 118.68 119.90 2pml s LEU 14 Ca 0.62 2.79 0.00 0.00 -0.22 0.00 0.00 54.13 57.32 2pml s LEU 14 Cb -0.32 -3.60 0.14 0.00 0.50 0.00 0.00 46.19 42.90 2pml s LEU 14 CO 0.29 -0.93 0.28 0.21 -1.32 0.00 0.00 176.35 174.88 2pml s ASN 15 N 1.17 2.10 0.03 3.68 2.47 -1.26 -4.99 114.94 118.14 2pml s ASN 15 Ca 0.73 -1.40 -0.04 0.00 0.42 0.00 0.00 52.86 52.57 2pml s ASN 15 Cb -0.48 0.19 -0.04 0.00 -1.45 0.00 0.00 41.25 39.47 2pml s ASN 15 CO 0.32 -0.34 0.25 -1.59 -3.72 0.00 0.00 177.10 172.01 2pml s LYS 16 N 1.76 3.51 -0.15 0.43 0.00 -1.26 -1.08 119.74 122.95 2pml s LYS 16 Ca 0.13 -0.23 -0.33 0.00 0.00 0.00 0.00 55.97 55.54 2pml s LYS 16 Cb -0.17 -3.04 0.13 0.00 0.00 0.00 0.00 37.83 34.75 2pml s LYS 16 CO -0.17 0.62 1.13 1.52 0.00 0.00 0.00 175.35 178.44 2pml s TYR 17 N -1.41 -0.19 -0.08 1.78 1.13 -1.10 -5.01 117.35 112.48 2pml s TYR 17 Ca 0.31 0.15 -0.00 0.00 -1.41 0.00 0.00 57.07 56.11 2pml s TYR 17 Cb -0.13 0.51 -0.03 0.00 -1.10 0.00 0.00 41.96 41.22 2pml s TYR 17 CO 0.21 -0.28 -0.04 0.14 -2.51 0.00 0.00 175.55 173.06 2pml s VAL 18 N -2.42 3.92 -0.41 -3.49 -7.23 -1.26 -0.84 120.40 108.68 2pml s VAL 18 Ca 0.08 -0.39 0.02 0.00 -1.81 0.00 0.00 61.98 59.87 2pml s VAL 18 Cb -0.01 -2.63 0.13 0.00 0.56 0.00 0.00 36.38 34.43 2pml s VAL 18 CO -0.05 0.59 0.20 -0.54 -0.31 0.00 0.00 175.10 174.99 2pml s LYS 19 N -0.76 1.18 -0.72 4.82 1.02 -1.08 -4.87 119.74 119.33 2pml s LYS 19 Ca 0.12 -1.82 -0.03 0.00 0.02 0.00 0.00 55.97 54.25 2pml s LYS 19 Cb -0.11 -2.31 -0.04 0.00 -0.52 0.00 0.00 37.83 34.85 2pml s LYS 19 CO 0.02 -1.12 0.63 0.39 -0.92 0.00 0.00 175.35 174.35 2pml n GLU 20 N 3.83 -2.07 -3.28 1.68 -0.58 -1.26 -3.73 120.64 115.22 2pml n GLU 20 Ca 0.06 0.58 -0.20 0.00 -0.42 0.00 0.00 57.16 57.18 2pml n GLU 20 Cb 0.36 -4.48 -0.02 0.00 -0.57 0.00 0.00 31.44 26.73 2pml n GLU 20 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2pml n LYS 21 N -2.75 -2.75 -4.74 3.49 4.76 -1.26 -4.97 118.16 109.94 2pml n LYS 21 Ca -0.08 0.33 -0.33 0.00 -2.87 0.00 0.00 58.31 55.36 2pml n LYS 21 Cb 0.59 -4.96 -0.15 0.00 -1.84 0.00 0.00 35.03 28.67 2pml n LYS 21 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2pml s ASP 22 N -2.58 3.89 0.07 4.39 1.01 -1.24 -5.12 116.67 117.09 2pml s ASP 22 Ca 0.35 -0.37 -0.24 0.00 0.71 0.00 0.00 52.55 52.99 2pml s ASP 22 Cb -0.19 -1.59 -0.06 0.00 1.01 0.00 0.00 42.92 42.09 2pml s ASP 22 CO 0.42 0.15 0.74 -0.54 0.21 0.00 0.00 175.17 176.15 2pml s LYS 23 N 0.46 4.48 0.05 8.23 1.02 -1.26 -2.62 119.74 130.10 2pml s LYS 23 Ca -0.10 1.04 0.09 0.00 0.02 0.00 0.00 55.97 57.02 2pml s LYS 23 Cb -0.16 -3.33 -0.03 0.00 -0.52 0.00 0.00 37.83 33.79 2pml s LYS 23 CO 0.05 0.38 -0.26 0.71 -0.92 0.00 0.00 175.35 175.31 2pml s TYR 24 N -0.40 2.29 -0.46 3.18 1.51 -0.02 -0.73 117.35 122.74 2pml s TYR 24 Ca 0.37 -0.41 -0.02 0.00 -1.01 0.00 0.00 57.07 56.00 2pml s TYR 24 Cb -0.21 -1.37 0.12 0.00 -0.11 0.00 0.00 41.96 40.39 2pml s TYR 24 CO 0.23 0.13 0.25 0.42 -1.11 0.00 0.00 175.55 175.47 2pml s ILE 25 N -0.81 3.22 -1.26 2.71 -1.09 0.13 -2.71 121.20 121.39 2pml s ILE 25 Ca 0.12 -2.39 -0.02 0.00 -2.23 0.00 0.00 60.65 56.12 2pml s ILE 25 Cb -0.10 -3.20 0.01 0.00 -1.58 0.00 0.00 42.46 37.59 2pml s ILE 25 CO 0.02 -0.73 0.98 0.59 -1.23 0.00 0.00 174.94 174.57 2pml n ASN 26 N 4.19 -2.78 0.00 3.58 4.13 -0.24 -0.63 115.26 123.51 2pml n ASN 26 Ca 0.01 -0.65 0.00 0.00 1.68 0.00 0.00 54.58 55.63 2pml n ASN 26 Cb 0.40 -4.88 0.00 0.00 -1.54 0.00 0.00 39.78 33.76 2pml n ASN 26 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2pml n ASP 27 N -3.09 0.00 -4.59 6.41 8.00 -1.26 -4.99 116.55 117.03 2pml n ASP 27 Ca -0.22 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 54.85 2pml n ASP 27 Cb 0.65 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.72 2pml n ASP 27 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2pml s TYR 28 N -1.29 2.36 -0.19 1.24 1.51 0.20 -4.50 117.35 116.68 2pml s TYR 28 Ca 0.00 0.58 -0.29 0.00 -1.01 0.00 0.00 57.07 56.35 2pml s TYR 28 Cb 0.00 -4.36 -0.01 0.00 -0.11 0.00 0.00 41.96 37.48 2pml s TYR 28 CO 0.00 -1.94 1.28 0.50 -1.11 0.00 0.00 175.55 174.28 2pml s ARG 29 N 5.22 4.16 -0.34 -0.62 3.52 0.36 0.22 118.95 131.46 2pml s ARG 29 Ca 0.56 1.59 -0.29 0.00 -0.13 0.00 0.00 55.73 57.46 2pml s ARG 29 Cb -0.12 -3.79 -0.01 0.00 -1.56 0.00 0.00 34.95 29.47 2pml s ARG 29 CO 0.29 -0.80 1.64 0.42 -0.81 0.00 0.00 175.30 176.04 2pml s ILE 30 N 3.70 3.66 -0.01 4.11 1.01 0.09 -1.47 121.20 132.29 2pml s ILE 30 Ca 0.55 0.68 -0.00 0.00 0.00 0.00 0.00 60.65 61.88 2pml s ILE 30 Cb -0.21 -3.85 -0.00 0.00 0.01 0.00 0.00 42.46 38.41 2pml s ILE 30 CO 0.17 -0.52 0.04 0.40 0.00 0.00 0.00 174.94 175.02 2pml h ILE 31 N 6.60 0.00 -3.09 2.92 2.04 -0.82 -3.42 117.51 121.75 2pml h ILE 31 Ca -0.31 -0.13 0.02 0.00 1.00 0.00 0.00 64.86 65.44 2pml h ILE 31 Cb 1.14 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 2pml h ILE 31 CO 1.05 0.00 0.20 0.00 0.00 0.00 0.00 178.15 179.40 2pml s ARG 32 N -1.15 1.92 -0.14 2.37 1.70 -1.18 -5.03 118.95 117.43 2pml s ARG 32 Ca -0.00 -1.18 -0.11 0.00 -0.47 0.00 0.00 55.73 53.97 2pml s ARG 32 Cb 0.00 0.60 -0.05 0.00 -0.57 0.00 0.00 34.95 34.93 2pml s ARG 32 CO 0.00 -0.88 0.22 0.95 -1.08 0.00 0.00 175.30 174.51 2pml s THR 33 N -3.37 5.36 0.04 4.99 -4.23 -1.26 -0.46 115.64 116.70 2pml s THR 33 Ca 0.14 0.40 -0.07 0.00 -1.18 0.00 0.00 61.69 60.97 2pml s THR 33 Cb -0.05 -3.53 -0.30 0.00 1.34 0.00 0.00 72.50 69.95 2pml s THR 33 CO 0.09 0.49 1.03 -0.07 -0.54 0.00 0.00 174.62 175.62 2pml h LEU 34 N 5.95 0.54 -6.57 4.79 3.38 -1.52 -3.46 115.31 118.42 2pml h LEU 34 Ca -0.46 -0.61 -0.03 0.00 0.09 0.00 0.00 57.88 56.87 2pml h LEU 34 Cb 1.19 -0.18 -0.25 0.00 0.09 0.00 0.00 40.66 41.51 2pml h LEU 34 CO 0.69 1.49 -0.33 0.21 0.09 0.00 0.00 178.44 180.58 2pml s ASN 35 N -7.24 -0.59 -0.74 -0.43 3.84 -1.23 -5.02 114.94 103.53 2pml s ASN 35 Ca -0.07 0.83 -0.19 0.00 0.21 0.00 0.00 52.86 53.64 2pml s ASN 35 Cb 0.06 1.69 0.12 0.00 -0.55 0.00 0.00 41.25 42.57 2pml s ASN 35 CO 0.89 -0.26 0.91 -1.58 -2.79 0.00 0.00 177.10 174.27 2pml s GLN 36 N 2.72 3.30 1.01 0.43 2.00 -1.26 -1.72 119.66 126.13 2pml s GLN 36 Ca 0.08 -1.46 -0.17 0.00 -2.00 0.00 0.00 55.36 51.81 2pml s GLN 36 Cb -0.14 -4.48 0.26 0.00 0.80 0.00 0.00 33.01 29.44 2pml s GLN 36 CO -0.17 -1.66 0.75 0.41 -0.50 0.00 0.00 175.29 174.12 2pml n GLY 37 N 5.23 -3.23 0.14 2.59 0.00 -1.26 -4.95 105.19 103.72 2pml n GLY 37 Ca 0.05 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.68 2pml n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pml h LYS 38 N 0.00 0.00 0.00 1.61 1.57 -2.03 -3.43 116.57 114.28 2pml h LYS 38 Ca -0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 2pml h LYS 38 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 2pml h LYS 38 CO 0.19 0.59 0.00 1.19 -0.57 0.00 0.00 179.45 180.86 2pml n PHE 39 N -3.59 -0.52 0.00 -1.35 3.72 -1.26 -5.05 117.46 109.41 2pml n PHE 39 Ca -0.00 0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 2pml n PHE 39 Cb 0.65 0.21 0.00 0.00 -0.94 0.00 0.00 39.48 39.39 2pml n PHE 39 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2pml n ASN 40 N -3.03 0.00 0.00 4.37 0.23 -1.26 -4.81 115.26 110.76 2pml n ASN 40 Ca 0.00 0.23 0.00 0.00 -0.53 0.00 0.00 54.58 54.28 2pml n ASN 40 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2pml n ASN 40 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 2pml n LYS 41 N -0.39 0.00 -4.66 -3.83 4.81 -1.25 -4.41 118.16 108.43 2pml n LYS 41 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.10 2pml n LYS 41 Cb 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 34.93 2pml n LYS 41 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2pml s ILE 42 N -0.70 3.56 -0.09 3.15 1.09 -0.70 -0.80 121.20 126.72 2pml s ILE 42 Ca 0.00 -0.52 0.03 0.00 -1.10 0.00 0.00 60.65 59.05 2pml s ILE 42 Cb 0.00 -2.46 -0.02 0.00 -1.06 0.00 0.00 42.46 38.93 2pml s ILE 42 CO 0.00 0.58 -0.17 -0.63 -0.10 0.00 0.00 174.94 174.62 2pml s ILE 43 N -0.61 2.74 -0.18 2.92 1.01 0.28 -1.28 121.20 126.08 2pml s ILE 43 Ca 0.09 -0.80 -0.22 0.00 0.00 0.00 0.00 60.65 59.71 2pml s ILE 43 Cb -0.12 -2.09 -0.02 0.00 0.01 0.00 0.00 42.46 40.24 2pml s ILE 43 CO 0.02 0.56 0.69 -0.22 0.00 0.00 0.00 174.94 175.99 2pml s LEU 44 N -0.06 4.16 0.29 2.97 0.20 0.39 -0.25 118.68 126.39 2pml s LEU 44 Ca -0.04 0.95 0.02 0.00 0.69 0.00 0.00 54.13 55.76 2pml s LEU 44 Cb -0.14 -3.00 -0.05 0.00 -0.43 0.00 0.00 46.19 42.57 2pml s LEU 44 CO 0.04 -0.30 0.10 0.00 -0.29 0.00 0.00 176.35 175.90 2pml s GLU 46 N -3.94 0.38 -0.05 0.00 2.12 -0.54 -1.61 118.70 115.06 2pml s GLU 46 Ca 0.36 -0.14 -0.03 0.00 0.36 0.00 0.00 54.97 55.52 2pml s GLU 46 Cb 0.07 -0.39 0.03 0.00 0.26 0.00 0.00 34.13 34.10 2pml s GLU 46 CO 0.15 0.07 0.13 0.21 -0.54 0.00 0.00 175.26 175.27 2pml s LYS 47 N 0.03 0.10 4.95 4.30 2.20 -1.17 -0.49 119.74 129.65 2pml s LYS 47 Ca 0.00 0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.90 2pml s LYS 47 Cb -0.03 -0.10 0.00 0.00 -1.51 0.00 0.00 37.83 36.18 2pml s LYS 47 CO -0.00 -0.11 0.00 -0.25 -0.36 0.00 0.00 175.35 174.62 2pml n ASP 48 N 3.80 0.00 0.00 1.43 8.00 -1.26 -1.90 116.55 126.62 2pml n ASP 48 Ca -0.22 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.28 2pml n ASP 48 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 2pml n ASP 48 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2pml n ASN 49 N 9.72 0.60 -4.93 -2.24 3.02 -1.26 -5.10 115.26 115.07 2pml n ASN 49 Ca 0.00 -1.21 -0.25 0.00 -0.03 0.00 0.00 54.58 53.08 2pml n ASN 49 Cb 0.00 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.20 2pml n ASN 49 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2pml s LYS 50 N -0.21 2.89 -0.01 3.52 2.47 -0.80 -5.10 119.74 122.49 2pml s LYS 50 Ca 0.00 -0.20 0.07 0.00 -1.56 0.00 0.00 55.97 54.28 2pml s LYS 50 Cb 0.00 -2.35 -0.02 0.00 -1.46 0.00 0.00 37.83 33.99 2pml s LYS 50 CO 0.00 -0.62 -0.22 -0.06 0.16 0.00 0.00 175.35 174.61 2pml s PHE 51 N -2.88 2.46 0.03 4.03 0.08 -1.26 -3.05 117.98 117.39 2pml s PHE 51 Ca 0.53 -0.34 0.01 0.00 0.12 0.00 0.00 56.93 57.26 2pml s PHE 51 Cb -0.10 -1.52 -0.02 0.00 -0.57 0.00 0.00 43.02 40.80 2pml s PHE 51 CO 0.43 0.07 -0.06 0.71 -0.10 0.00 0.00 175.22 176.27 2pml s TYR 52 N -0.70 0.53 -0.27 0.36 1.51 -0.63 -1.98 117.35 116.17 2pml s TYR 52 Ca 0.11 -0.52 0.03 0.00 -1.01 0.00 0.00 57.07 55.68 2pml s TYR 52 Cb -0.10 -0.33 0.06 0.00 -0.11 0.00 0.00 41.96 41.48 2pml s TYR 52 CO 0.00 -0.12 -0.10 0.00 -1.11 0.00 0.00 175.55 174.22 2pml s ALA 53 N -1.45 2.60 -0.19 3.71 0.00 -0.59 -0.77 121.76 125.07 2pml s ALA 53 Ca -0.12 -1.80 -0.14 0.00 0.00 0.00 0.00 51.96 49.91 2pml s ALA 53 Cb -0.10 -1.63 -0.05 0.00 0.00 0.00 0.00 23.12 21.35 2pml s ALA 53 CO -0.00 -1.23 0.29 -0.51 0.00 0.00 0.00 175.76 174.31 2pml s LEU 54 N 1.10 4.19 -0.32 0.00 1.02 0.66 -2.27 118.68 123.07 2pml s LEU 54 Ca -0.08 0.42 -0.13 0.00 0.02 0.00 0.00 54.13 54.36 2pml s LEU 54 Cb -0.20 -2.34 -0.03 0.00 0.02 0.00 0.00 46.19 43.64 2pml s LEU 54 CO -0.05 0.05 0.27 -0.75 0.02 0.00 0.00 176.35 175.89 2pml s LYS 55 N 0.79 3.67 -0.24 1.70 2.20 -0.55 0.10 119.74 127.42 2pml s LYS 55 Ca 0.15 -0.45 -0.15 0.00 -0.36 0.00 0.00 55.97 55.16 2pml s LYS 55 Cb -0.13 -3.76 -0.04 0.00 -1.51 0.00 0.00 37.83 32.39 2pml s LYS 55 CO 0.05 -0.38 0.38 0.21 -0.36 0.00 0.00 175.35 175.24 2pml s LYS 56 N 1.83 4.09 0.31 4.03 2.20 0.02 -1.73 119.74 130.49 2pml s LYS 56 Ca 0.08 0.11 0.08 0.00 -0.36 0.00 0.00 55.97 55.89 2pml s LYS 56 Cb -0.17 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.52 2pml s LYS 56 CO 0.11 -0.16 0.11 0.71 -0.36 0.00 0.00 175.35 175.76 2pml s TYR 57 N 1.70 2.74 -0.06 4.03 1.51 -0.11 -3.77 117.35 123.39 2pml s TYR 57 Ca 0.17 -0.31 -0.02 0.00 -1.01 0.00 0.00 57.07 55.89 2pml s TYR 57 Cb -0.15 -1.50 0.04 0.00 -0.11 0.00 0.00 41.96 40.23 2pml s TYR 57 CO 0.09 0.43 0.11 -1.83 -1.11 0.00 0.00 175.55 173.23 2pml s GLU 58 N -3.80 0.01 0.09 -0.62 -1.05 -1.26 -1.44 118.70 110.62 2pml s GLU 58 Ca 0.36 0.41 -0.21 0.00 -0.15 0.00 0.00 54.97 55.38 2pml s GLU 58 Cb -0.04 -0.30 -0.07 0.00 -0.44 0.00 0.00 34.13 33.28 2pml s GLU 58 CO 0.22 -0.26 1.35 -0.22 0.95 0.00 0.00 175.26 177.30 2pml h LYS 59 N 7.94 -0.21 -0.12 -4.83 3.11 -1.41 -1.33 116.57 119.72 2pml h LYS 59 Ca -0.25 0.01 0.03 0.00 -2.81 0.00 0.00 60.65 57.63 2pml h LYS 59 Cb 1.12 0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 32.40 2pml h LYS 59 CO 0.27 -0.14 0.25 0.66 -2.81 0.00 0.00 179.45 177.68 2pml h SER 60 N -0.22 0.00 0.04 4.20 4.64 -1.95 0.57 113.55 120.83 2pml h SER 60 Ca 0.05 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.17 2pml h SER 60 Cb 0.36 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 2pml h SER 60 CO -0.41 0.00 -1.08 0.25 -0.87 0.00 0.00 176.83 174.73 2pml h LEU 61 N 0.00 0.14 -0.32 5.97 6.46 -1.69 -3.39 115.31 122.47 2pml h LEU 61 Ca 0.06 -0.74 0.00 0.00 -0.12 0.00 0.00 57.88 57.08 2pml h LEU 61 Cb 0.56 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.44 2pml h LEU 61 CO -0.00 1.45 -0.30 0.00 -0.62 0.00 0.00 178.44 178.96 2pml n LEU 62 N -4.27 0.80 0.17 2.25 -0.00 -0.58 -3.90 117.00 111.48 2pml n LEU 62 Ca -0.25 -0.15 0.05 0.00 -0.00 0.00 0.00 56.01 55.67 2pml n LEU 62 Cb 0.73 -0.17 0.18 0.00 -0.00 0.00 0.00 43.42 44.16 2pml n LEU 62 CO 0.30 0.16 0.61 1.05 -0.00 0.00 0.00 177.39 179.51 2pml h GLU 63 N 0.79 0.00 -6.50 1.47 4.11 -1.10 -2.17 114.58 111.17 2pml h GLU 63 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.90 2pml h GLU 63 Cb 0.49 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2pml h GLU 63 CO 0.00 0.38 -0.09 -1.59 0.07 0.00 0.00 179.01 177.78 2pml s LYS 64 N -3.23 3.75 0.00 1.06 -2.85 -1.25 -4.68 119.74 112.53 2pml s LYS 64 Ca 0.03 0.21 0.00 0.00 -1.00 0.00 0.00 55.97 55.21 2pml s LYS 64 Cb 0.08 -2.61 0.00 0.00 -2.06 0.00 0.00 37.83 33.24 2pml s LYS 64 CO 0.70 0.24 0.00 1.17 0.10 0.00 0.00 175.35 177.57 2pml n LYS 65 N -0.54 0.00 -4.06 1.78 3.00 -1.26 -4.75 118.16 112.32 2pml n LYS 65 Ca 0.00 0.20 -0.31 0.00 -0.00 0.00 0.00 58.31 58.20 2pml n LYS 65 Cb 0.53 -0.60 -0.07 0.00 0.00 0.00 0.00 35.03 34.89 2pml n LYS 65 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2pml s ARG 66 N -2.21 2.93 0.00 1.64 0.52 -1.26 -2.08 118.95 118.49 2pml s ARG 66 Ca 0.00 -0.64 0.00 0.00 -0.52 0.00 0.00 55.73 54.57 2pml s ARG 66 Cb 0.00 -2.76 0.00 0.00 0.52 0.00 0.00 34.95 32.71 2pml s ARG 66 CO 0.00 0.58 0.00 -0.25 0.02 0.00 0.00 175.30 175.65 2pml n ASP 67 N 0.62 0.99 -4.06 0.23 8.00 0.03 -4.99 116.55 117.36 2pml n ASP 67 Ca -0.09 -0.71 -0.33 0.00 0.71 0.00 0.00 54.79 54.37 2pml n ASP 67 Cb 0.52 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.48 2pml n ASP 67 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2pml s PHE 68 N -1.07 3.60 0.00 1.24 0.40 -1.26 -3.47 117.98 117.41 2pml s PHE 68 Ca 0.00 -2.66 0.00 0.00 -0.60 0.00 0.00 56.93 53.67 2pml s PHE 68 Cb 0.00 -2.73 0.00 0.00 0.51 0.00 0.00 43.02 40.80 2pml s PHE 68 CO 0.00 -0.93 0.00 0.25 0.70 0.00 0.00 175.22 175.24 2pml n THR 69 N 4.39 0.00 0.00 0.64 -2.24 -1.24 -5.03 114.28 110.80 2pml n THR 69 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2pml n THR 69 Cb 0.42 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 2pml n THR 69 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2pml n LYS 70 N 0.00 0.00 0.15 -0.78 5.02 -1.26 -4.65 118.16 116.64 2pml n LYS 70 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2pml n LYS 70 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2pml n LYS 70 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2pml n SER 71 N 0.00 -2.69 0.00 4.39 7.64 -1.26 -3.14 113.62 118.56 2pml n SER 71 Ca 0.00 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.50 2pml n SER 71 Cb 0.00 2.66 0.00 0.00 -1.01 0.00 0.00 64.21 65.86 2pml n SER 71 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2pml n ASN 72 N -3.12 0.00 -0.61 6.43 3.02 -1.26 -4.18 115.26 115.53 2pml n ASN 72 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.68 2pml n ASN 72 Cb 0.00 0.00 0.32 0.00 -0.61 0.00 0.00 39.78 39.49 2pml n ASN 72 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2pml n ASN 73 N 1.46 1.98 0.00 6.41 3.02 -1.26 -4.92 115.26 121.95 2pml n ASN 73 Ca 0.00 -1.59 0.00 0.00 -0.03 0.00 0.00 54.58 52.96 2pml n ASN 73 Cb 0.00 0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 2pml n ASN 73 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2pml n ASP 74 N 0.44 0.00 -2.15 6.41 2.03 -1.26 -4.80 116.55 117.21 2pml n ASP 74 Ca 0.16 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.29 2pml n ASP 74 Cb 0.45 -2.00 -0.09 0.00 -0.72 0.00 0.00 41.12 38.76 2pml n ASP 74 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2pml n LYS 75 N -2.00 2.07 -0.36 -0.67 4.81 -1.26 -4.98 118.16 115.76 2pml n LYS 75 Ca 0.00 -1.55 0.05 0.00 -0.87 0.00 0.00 58.31 55.94 2pml n LYS 75 Cb 0.00 -1.94 -0.01 0.00 0.02 0.00 0.00 35.03 33.10 2pml n LYS 75 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 2pml n ILE 76 N 1.50 0.00 -3.72 3.15 -6.64 -1.26 -4.97 119.36 107.42 2pml n ILE 76 Ca 0.41 0.00 -0.13 0.00 -1.77 0.00 0.00 62.75 61.25 2pml n ILE 76 Cb 0.69 -0.12 -0.10 0.00 -1.44 0.00 0.00 39.64 38.67 2pml n ILE 76 CO 0.00 0.00 0.00 -0.44 -1.77 0.00 0.00 176.55 174.34 2pml s SER 77 N -3.41 -0.47 -0.25 7.28 0.01 -1.19 -4.52 113.70 111.15 2pml s SER 77 Ca 0.00 0.91 0.01 0.00 1.31 0.00 0.00 55.95 58.19 2pml s SER 77 Cb 0.00 0.92 0.06 0.00 0.21 0.00 0.00 66.02 67.21 2pml s SER 77 CO 0.00 -0.16 -0.05 -0.51 0.41 0.00 0.00 173.24 172.93 2pml s ILE 78 N 0.28 1.67 0.25 1.44 2.07 -1.26 -3.60 121.20 122.05 2pml s ILE 78 Ca -0.00 -1.37 0.11 0.00 -1.41 0.00 0.00 60.65 57.98 2pml s ILE 78 Cb -0.03 -1.93 -0.05 0.00 0.13 0.00 0.00 42.46 40.58 2pml s ILE 78 CO 0.00 -0.13 -0.17 -1.59 -1.91 0.00 0.00 174.94 171.14 2pml s LYS 79 N 1.32 1.78 0.31 3.50 -2.85 -1.23 -5.01 119.74 117.57 2pml s LYS 79 Ca -0.05 -1.61 0.10 0.00 -1.00 0.00 0.00 55.97 53.41 2pml s LYS 79 Cb -0.19 -1.89 -0.05 0.00 -2.06 0.00 0.00 37.83 33.64 2pml s LYS 79 CO -0.07 0.36 -0.09 0.45 0.10 0.00 0.00 175.35 176.11 2pml s SER 80 N -3.30 3.94 0.32 0.03 0.15 -1.26 -0.79 113.70 112.79 2pml s SER 80 Ca 0.28 -0.99 0.26 0.00 0.70 0.00 0.00 55.95 56.20 2pml s SER 80 Cb -0.06 -0.46 0.98 0.00 -1.71 0.00 0.00 66.02 64.77 2pml s SER 80 CO 0.15 -0.09 1.78 0.11 1.20 0.00 0.00 173.24 176.38 2pml h LYS 81 N 2.03 0.00 -0.03 5.44 1.79 -1.17 -2.39 116.57 122.23 2pml h LYS 81 Ca -0.42 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 57.86 2pml h LYS 81 Cb 1.25 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.90 2pml h LYS 81 CO 0.64 0.00 -0.82 -0.92 -1.08 0.00 0.00 179.45 177.28 2pml h TYR 82 N 0.00 0.46 -0.57 -1.35 3.20 -1.69 -2.72 116.97 114.29 2pml h TYR 82 Ca 0.00 -0.23 -0.01 0.00 3.14 0.00 0.00 58.73 61.63 2pml h TYR 82 Cb 0.52 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 2pml h TYR 82 CO 0.00 1.01 0.32 -0.44 -1.64 0.00 0.00 178.16 177.41 2pml h ASP 83 N 0.20 0.70 -0.79 -2.11 3.32 -1.75 -1.68 116.42 114.32 2pml h ASP 83 Ca -0.04 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.93 2pml h ASP 83 Cb 1.41 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.75 2pml h ASP 83 CO 0.13 0.58 0.51 0.44 -1.72 0.00 0.00 179.24 179.19 2pml h ASP 84 N 0.77 0.92 -0.04 6.45 3.45 -1.51 -2.82 116.42 123.63 2pml h ASP 84 Ca 0.20 -0.03 -0.15 0.00 0.43 0.00 0.00 57.03 57.48 2pml h ASP 84 Cb 0.02 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.55 2pml h ASP 84 CO -0.03 0.68 -0.49 0.15 -1.57 0.00 0.00 179.24 177.98 2pml h PHE 85 N 1.08 0.74 -0.06 4.55 3.57 -1.13 -2.23 116.94 123.46 2pml h PHE 85 Ca 0.29 -0.24 0.04 0.00 3.53 0.00 0.00 57.97 61.59 2pml h PHE 85 Cb -0.10 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.44 2pml h PHE 85 CO 0.00 0.97 -0.25 0.87 -2.23 0.00 0.00 178.31 177.67 2pml h LYS 86 N 0.48 -0.35 -0.90 1.11 1.57 -1.06 0.72 116.57 118.13 2pml h LYS 86 Ca 0.02 0.02 0.13 0.00 -1.87 0.00 0.00 60.65 58.96 2pml h LYS 86 Cb 1.02 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 33.34 2pml h LYS 86 CO 0.09 -0.23 0.58 -0.91 -0.57 0.00 0.00 179.45 178.41 2pml h ASN 87 N -0.36 0.71 -0.35 0.86 2.35 -1.42 -1.34 115.58 116.03 2pml h ASN 87 Ca 0.08 0.04 -0.12 0.00 -0.55 0.00 0.00 56.30 55.75 2pml h ASN 87 Cb 0.47 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 2pml h ASN 87 CO -0.27 0.38 -0.24 -0.08 -1.65 0.00 0.00 177.43 175.57 2pml h GLU 88 N 0.76 0.77 0.04 0.81 4.81 -0.50 -2.99 114.58 118.29 2pml h GLU 88 Ca 0.45 -0.37 0.02 0.00 -0.13 0.00 0.00 59.36 59.33 2pml h GLU 88 Cb 0.63 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.97 2pml h GLU 88 CO -0.21 0.99 -0.21 1.25 -0.73 0.00 0.00 179.01 180.10 2pml h LEU 89 N 0.55 -0.62 -1.13 1.64 5.85 0.14 0.16 115.31 121.91 2pml h LEU 89 Ca 0.07 0.08 0.23 0.00 0.84 0.00 0.00 57.88 59.10 2pml h LEU 89 Cb 0.80 0.25 -0.11 0.00 0.37 0.00 0.00 40.66 41.97 2pml h LEU 89 CO 0.06 -0.29 0.62 -0.61 -0.34 0.00 0.00 178.44 177.89 2pml h GLN 90 N -0.37 0.56 0.09 1.25 4.15 -1.38 -1.75 115.11 117.66 2pml h GLN 90 Ca 0.05 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 2pml h GLN 90 Cb 0.42 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.99 2pml h GLN 90 CO -0.17 0.37 -0.04 0.82 -1.93 0.00 0.00 178.83 177.88 2pml h ILE 91 N 0.58 1.14 -1.29 2.39 2.04 -1.09 -2.93 117.51 118.35 2pml h ILE 91 Ca 0.60 -1.27 0.37 0.00 1.00 0.00 0.00 64.86 65.56 2pml h ILE 91 Cb 1.20 1.91 -0.05 0.00 -0.74 0.00 0.00 36.82 39.14 2pml h ILE 91 CO -0.38 0.29 0.94 0.40 0.00 0.00 0.00 178.15 179.39 2pml h ILE 92 N -0.75 0.34 0.00 -0.67 2.04 -0.58 0.59 117.51 118.48 2pml h ILE 92 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2pml h ILE 92 Cb 0.57 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2pml h ILE 92 CO 0.02 0.00 -0.03 0.41 0.00 0.00 0.00 178.15 178.55 2pml n THR 93 N -4.12 0.51 -0.06 -0.27 -1.04 -0.70 -3.91 114.28 104.70 2pml n THR 93 Ca 0.28 -0.25 -0.06 0.00 -2.04 0.00 0.00 64.05 61.98 2pml n THR 93 Cb 1.36 -0.55 -0.09 0.00 -1.82 0.00 0.00 70.33 69.23 2pml n THR 93 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2pml n ASP 94 N -2.17 2.22 -4.65 8.00 4.64 0.20 -4.97 116.55 119.82 2pml n ASP 94 Ca 0.06 -0.00 -0.43 0.00 -1.38 0.00 0.00 54.79 53.03 2pml n ASP 94 Cb 0.42 0.73 -0.02 0.00 -1.04 0.00 0.00 41.12 41.21 2pml n ASP 94 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 2pml s ILE 95 N -2.28 4.29 -0.21 5.18 1.01 -0.70 -4.99 121.20 123.50 2pml s ILE 95 Ca -0.06 1.54 -0.05 0.00 0.00 0.00 0.00 60.65 62.08 2pml s ILE 95 Cb 0.03 -4.08 0.07 0.00 0.01 0.00 0.00 42.46 38.50 2pml s ILE 95 CO 0.46 -0.23 0.10 -0.54 0.00 0.00 0.00 174.94 174.73 2pml s LYS 96 N 3.64 0.11 -0.28 2.79 1.02 -1.26 -4.62 119.74 121.14 2pml s LYS 96 Ca 0.54 -0.24 -0.24 0.00 0.02 0.00 0.00 55.97 56.05 2pml s LYS 96 Cb -0.20 -1.60 0.12 0.00 -0.52 0.00 0.00 37.83 35.63 2pml s LYS 96 CO 0.16 -0.79 0.99 1.21 -0.92 0.00 0.00 175.35 176.00 2pml s ASN 97 N 2.12 -0.49 0.27 2.83 3.84 -1.26 -5.03 114.94 117.22 2pml s ASN 97 Ca 0.04 0.93 0.20 0.00 0.21 0.00 0.00 52.86 54.24 2pml s ASN 97 Cb -0.16 0.97 1.01 0.00 -0.55 0.00 0.00 41.25 42.52 2pml s ASN 97 CO -0.19 -0.16 1.61 -1.84 -2.79 0.00 0.00 177.10 173.74 2pml n GLU 98 N 2.46 0.14 -0.17 0.43 0.28 -1.26 -1.92 120.64 120.61 2pml n GLU 98 Ca -0.13 0.56 0.08 0.00 -0.16 0.00 0.00 57.16 57.50 2pml n GLU 98 Cb 0.56 -1.88 0.17 0.00 1.43 0.00 0.00 31.44 31.71 2pml n GLU 98 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2pml n TYR 99 N -2.17 0.45 -4.35 -1.84 4.02 -1.26 -4.89 117.16 107.12 2pml n TYR 99 Ca -0.00 -0.35 -0.19 0.00 -0.01 0.00 0.00 57.90 57.35 2pml n TYR 99 Cb 0.09 -0.01 -0.14 0.00 -0.02 0.00 0.00 39.34 39.25 2pml n TYR 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2pml s LEU 101 N -0.49 4.36 -0.06 0.00 2.96 0.37 -4.54 118.68 121.28 2pml s LEU 101 Ca 0.02 2.41 0.05 0.00 -0.22 0.00 0.00 54.13 56.39 2pml s LEU 101 Cb -0.05 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 43.10 2pml s LEU 101 CO -0.00 -0.94 -0.21 0.42 -1.32 0.00 0.00 176.35 174.30 2pml s THR 102 N 3.73 1.76 0.72 3.68 -4.23 -1.26 -4.91 115.64 115.12 2pml s THR 102 Ca 0.77 -0.88 -0.12 0.00 -1.18 0.00 0.00 61.69 60.28 2pml s THR 102 Cb -0.37 -1.51 0.03 0.00 1.34 0.00 0.00 72.50 71.98 2pml s THR 102 CO 0.33 0.49 1.09 0.00 -0.54 0.00 0.00 174.62 175.99 2pml n GLU 104 N -3.07 1.58 0.00 0.00 1.02 0.53 -4.99 120.64 115.70 2pml n GLU 104 Ca 0.09 -0.73 0.00 0.00 -0.02 0.00 0.00 57.16 56.50 2pml n GLU 104 Cb 0.53 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.85 2pml n GLU 104 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pml n GLY 105 N 0.76 2.37 3.25 0.62 0.00 -1.26 -4.98 105.19 105.95 2pml n GLY 105 Ca 0.04 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 2pml n GLY 105 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pml s ILE 106 N -1.84 2.74 -0.22 -0.61 1.01 -0.82 -1.33 121.20 120.13 2pml s ILE 106 Ca 0.00 -0.73 -0.07 0.00 0.00 0.00 0.00 60.65 59.86 2pml s ILE 106 Cb 0.00 -2.18 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 2pml s ILE 106 CO 0.00 0.50 0.05 -0.63 0.00 0.00 0.00 174.94 174.85 2pml s ILE 107 N 1.10 4.33 0.17 2.92 1.01 0.33 0.54 121.20 131.60 2pml s ILE 107 Ca 0.00 -0.18 -0.20 0.00 0.00 0.00 0.00 60.65 60.27 2pml s ILE 107 Cb -0.14 -2.98 0.05 0.00 0.01 0.00 0.00 42.46 39.39 2pml s ILE 107 CO -0.04 0.40 0.56 0.28 0.00 0.00 0.00 174.94 176.14 2pml s THR 108 N 1.09 0.02 -0.04 2.92 -1.32 -0.47 -0.02 115.64 117.81 2pml s THR 108 Ca 0.04 -0.37 0.06 0.00 -1.21 0.00 0.00 61.69 60.21 2pml s THR 108 Cb -0.14 -1.26 0.10 0.00 -1.51 0.00 0.00 72.50 69.69 2pml s THR 108 CO 0.03 -0.08 1.04 -0.46 -2.21 0.00 0.00 174.62 172.94 2pml n ASN 109 N -0.35 2.06 -0.60 8.08 6.94 -1.18 -2.50 115.26 127.71 2pml n ASN 109 Ca -0.14 -2.34 -0.08 0.00 -0.02 0.00 0.00 54.58 52.00 2pml n ASN 109 Cb 0.64 -0.15 -0.03 0.00 -2.36 0.00 0.00 39.78 37.88 2pml n ASN 109 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 2pml n TYR 110 N -0.80 -0.03 0.00 -2.53 0.53 -1.26 -4.86 117.16 108.22 2pml n TYR 110 Ca 0.05 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.93 2pml n TYR 110 Cb 0.39 -1.61 0.00 0.00 -1.03 0.00 0.00 39.34 37.09 2pml n TYR 110 CO 0.00 0.00 0.00 -3.47 -1.02 0.00 0.00 176.86 172.37 2pml n ASP 111 N 0.77 0.00 -4.77 7.72 -0.08 -1.26 -4.91 116.55 114.02 2pml n ASP 111 Ca -0.08 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 52.81 2pml n ASP 111 Cb 0.27 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.69 2pml n ASP 111 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2pml s GLU 112 N -0.85 4.40 -0.02 -0.67 2.02 -1.26 -0.99 118.70 121.33 2pml s GLU 112 Ca 0.00 1.75 0.00 0.00 0.02 0.00 0.00 54.97 56.74 2pml s GLU 112 Cb 0.00 -2.92 0.03 0.00 0.10 0.00 0.00 34.13 31.33 2pml s GLU 112 CO 0.00 0.01 0.02 0.08 0.02 0.00 0.00 175.26 175.39 2pml s VAL 113 N -1.34 0.02 -0.20 2.63 1.01 -0.52 -3.12 120.40 118.89 2pml s VAL 113 Ca 0.50 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.66 2pml s VAL 113 Cb -0.29 -0.14 0.03 0.00 0.00 0.00 0.00 36.38 35.98 2pml s VAL 113 CO 0.38 0.11 -0.15 -0.31 0.00 0.00 0.00 175.10 175.12 2pml s TYR 114 N 1.03 2.68 -0.24 5.22 1.51 0.97 -0.94 117.35 127.58 2pml s TYR 114 Ca -0.09 -1.70 -0.11 0.00 -1.01 0.00 0.00 57.07 54.16 2pml s TYR 114 Cb -0.13 -1.79 -0.05 0.00 -0.11 0.00 0.00 41.96 39.88 2pml s TYR 114 CO -0.02 -0.78 0.18 0.42 -1.11 0.00 0.00 175.55 174.23 2pml s ILE 115 N 1.31 5.35 -0.09 2.71 -1.09 -0.71 -0.51 121.20 128.17 2pml s ILE 115 Ca 0.01 0.21 -0.17 0.00 -2.23 0.00 0.00 60.65 58.47 2pml s ILE 115 Cb -0.15 -3.52 -0.05 0.00 -1.58 0.00 0.00 42.46 37.17 2pml s ILE 115 CO -0.10 0.34 0.45 -0.63 -1.23 0.00 0.00 174.94 173.77 2pml s ILE 116 N 1.08 5.15 0.08 2.92 1.01 -0.44 -1.49 121.20 129.52 2pml s ILE 116 Ca 0.08 0.90 0.03 0.00 0.00 0.00 0.00 60.65 61.66 2pml s ILE 116 Cb -0.14 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 2pml s ILE 116 CO 0.05 0.39 -0.09 -0.31 0.00 0.00 0.00 174.94 174.98 2pml s TYR 117 N 0.22 0.93 0.83 3.97 4.12 -0.96 -0.35 117.35 126.11 2pml s TYR 117 Ca 0.25 -0.63 -0.12 0.00 0.02 0.00 0.00 57.07 56.59 2pml s TYR 117 Cb -0.15 -0.53 0.10 0.00 -1.52 0.00 0.00 41.96 39.86 2pml s TYR 117 CO 0.10 -0.05 1.15 -1.83 0.02 0.00 0.00 175.55 174.95 2pml s GLU 118 N -2.50 1.58 -0.29 -0.62 -1.05 -1.26 -1.55 118.70 113.02 2pml s GLU 118 Ca 0.01 1.53 -0.12 0.00 -0.15 0.00 0.00 54.97 56.25 2pml s GLU 118 Cb -0.04 -1.79 -0.04 0.00 -0.44 0.00 0.00 34.13 31.81 2pml s GLU 118 CO -0.00 -2.21 0.22 -0.47 0.95 0.00 0.00 175.26 173.75 2pml s TYR 119 N -2.51 3.22 -0.96 4.83 5.04 -0.83 -4.05 117.35 122.08 2pml s TYR 119 Ca 0.68 0.06 -0.18 0.00 -2.44 0.00 0.00 57.07 55.18 2pml s TYR 119 Cb -0.23 -2.42 0.13 0.00 0.35 0.00 0.00 41.96 39.78 2pml s TYR 119 CO 0.54 -0.22 1.18 -1.64 -1.34 0.00 0.00 175.55 174.07 2pml s MET 120 N 1.78 3.65 0.65 4.97 -1.94 -1.26 -4.90 119.30 122.24 2pml s MET 120 Ca 0.07 -1.81 0.41 0.00 -1.71 0.00 0.00 55.69 52.65 2pml s MET 120 Cb -0.16 -4.96 2.27 0.00 2.01 0.00 0.00 34.83 33.99 2pml s MET 120 CO 0.11 -1.80 2.34 1.05 -0.01 0.00 0.00 175.02 176.71 2pml h GLU 121 N 8.71 0.00 -0.21 2.03 9.09 -1.88 0.19 114.58 132.50 2pml h GLU 121 Ca 0.18 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.59 2pml h GLU 121 Cb 1.01 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.11 2pml h GLU 121 CO 1.14 0.00 0.00 0.09 0.05 0.00 0.00 179.01 180.29 2pml n ASN 122 N -3.25 1.50 0.00 3.06 3.02 -0.64 -4.91 115.26 114.05 2pml n ASN 122 Ca -0.03 -1.81 0.00 0.00 -0.03 0.00 0.00 54.58 52.71 2pml n ASN 122 Cb 0.08 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 2pml n ASN 122 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2pml n ASP 123 N 0.25 -0.23 -4.87 6.41 2.03 0.66 -4.65 116.55 116.15 2pml n ASP 123 Ca 0.13 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.14 2pml n ASP 123 Cb 0.27 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.64 2pml n ASP 123 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2pml s SER 124 N -4.00 6.53 0.40 1.67 1.04 -1.26 -0.84 113.70 117.24 2pml s SER 124 Ca 0.00 1.19 0.10 0.00 0.48 0.00 0.00 55.95 57.72 2pml s SER 124 Cb 0.00 -2.35 0.88 0.00 0.10 0.00 0.00 66.02 64.65 2pml s SER 124 CO 0.00 -0.43 1.97 0.16 0.98 0.00 0.00 173.24 175.93 2pml h ILE 125 N 1.06 0.97 -3.33 -1.02 -2.65 -1.39 -3.41 117.51 107.74 2pml h ILE 125 Ca -0.47 -0.20 -0.34 0.00 1.03 0.00 0.00 64.86 64.88 2pml h ILE 125 Cb 1.19 0.33 -0.15 0.00 -2.05 0.00 0.00 36.82 36.14 2pml h ILE 125 CO 0.63 0.11 -0.71 -0.76 0.03 0.00 0.00 178.15 177.45 2pml s LEU 126 N -9.53 2.50 0.20 0.16 1.43 -1.26 -4.82 118.68 107.35 2pml s LEU 126 Ca -0.09 -1.03 0.10 0.00 -1.03 0.00 0.00 54.13 52.08 2pml s LEU 126 Cb 0.19 -0.37 -0.04 0.00 0.03 0.00 0.00 46.19 46.00 2pml s LEU 126 CO 0.76 -0.33 -0.15 -0.54 0.23 0.00 0.00 176.35 176.32 2pml s LYS 127 N -3.75 1.85 0.12 1.70 3.01 0.36 -4.42 119.74 118.62 2pml s LYS 127 Ca 0.18 -1.40 0.08 0.00 -1.01 0.00 0.00 55.97 53.83 2pml s LYS 127 Cb 0.03 -2.02 -0.04 0.00 -1.01 0.00 0.00 37.83 34.79 2pml s LYS 127 CO 0.02 0.41 -0.20 0.12 0.51 0.00 0.00 175.35 176.21 2pml s PHE 128 N -1.77 1.76 0.00 3.18 5.36 -1.26 -0.92 117.98 124.32 2pml s PHE 128 Ca 0.24 -0.44 0.00 0.00 -0.96 0.00 0.00 56.93 55.77 2pml s PHE 128 Cb -0.08 -0.94 0.00 0.00 -0.34 0.00 0.00 43.02 41.66 2pml s PHE 128 CO 0.13 0.23 0.00 -0.40 -1.46 0.00 0.00 175.22 173.72 2pml n ASP 129 N 0.88 0.00 -0.00 6.13 5.68 -1.26 -4.92 116.55 123.05 2pml n ASP 129 Ca -0.18 0.00 0.09 0.00 -0.50 0.00 0.00 54.79 54.20 2pml n ASP 129 Cb 0.55 0.07 -0.13 0.00 -1.14 0.00 0.00 41.12 40.46 2pml n ASP 129 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2pml n GLU 130 N -1.51 0.71 -3.81 0.11 1.02 -1.26 -5.05 120.64 110.86 2pml n GLU 130 Ca 0.00 -0.09 -0.02 0.00 -0.02 0.00 0.00 57.16 57.03 2pml n GLU 130 Cb 0.00 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 2pml n GLU 130 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 2pml s TYR 131 N -3.05 -0.02 0.04 -0.32 -0.85 -1.26 -5.09 117.35 106.80 2pml s TYR 131 Ca -0.00 -0.30 -0.20 0.00 -0.52 0.00 0.00 57.07 56.06 2pml s TYR 131 Cb 0.13 0.65 -0.06 0.00 0.38 0.00 0.00 41.96 43.06 2pml s TYR 131 CO 0.78 -0.77 0.58 -0.06 -1.52 0.00 0.00 175.55 174.55 2pml s PHE 132 N -2.60 3.76 0.07 -3.49 0.40 -1.07 -4.36 117.98 110.69 2pml s PHE 132 Ca 0.18 1.24 -0.04 0.00 -0.60 0.00 0.00 56.93 57.71 2pml s PHE 132 Cb -0.01 -2.54 -0.03 0.00 0.51 0.00 0.00 43.02 40.96 2pml s PHE 132 CO 0.03 0.49 0.05 -0.59 0.70 0.00 0.00 175.22 175.90 2pml s PHE 133 N -0.74 0.41 -0.12 0.36 -0.12 -0.10 -4.84 117.98 112.82 2pml s PHE 133 Ca 0.30 -0.91 -0.06 0.00 -0.05 0.00 0.00 56.93 56.20 2pml s PHE 133 Cb -0.19 -0.28 -0.04 0.00 -0.63 0.00 0.00 43.02 41.88 2pml s PHE 133 CO 0.18 -0.45 0.01 0.28 -0.05 0.00 0.00 175.22 175.19 2pml h VAL 134 N 2.99 0.18 0.00 -2.49 2.07 -1.80 0.11 116.25 117.31 2pml h VAL 134 Ca -0.34 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.02 2pml h VAL 134 Cb 1.16 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2pml h VAL 134 CO 0.62 0.06 -0.86 -0.11 0.02 0.00 0.00 177.57 177.30 2pml n LEU 135 N -4.69 1.83 -3.96 2.57 0.00 -1.26 -4.62 117.00 106.86 2pml n LEU 135 Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 56.01 55.83 2pml n LEU 135 Cb 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 43.42 43.45 2pml n LEU 135 CO 0.07 0.28 -0.39 -0.62 0.00 0.00 0.00 177.39 176.74 2pml s ASP 136 N -4.20 0.48 0.41 1.96 2.15 -1.26 -5.03 116.67 111.19 2pml s ASP 136 Ca 0.00 -0.21 0.29 0.00 0.43 0.00 0.00 52.55 53.06 2pml s ASP 136 Cb 0.00 -0.01 1.26 0.00 -0.30 0.00 0.00 42.92 43.87 2pml s ASP 136 CO 0.00 -0.05 1.87 0.50 -0.17 0.00 0.00 175.17 177.32 2pml h LYS 137 N 5.58 0.00 0.00 4.34 3.64 -1.96 -3.36 116.57 124.81 2pml h LYS 137 Ca -0.29 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 58.95 2pml h LYS 137 Cb 1.20 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.00 2pml h LYS 137 CO 0.47 0.00 -0.96 -0.91 -2.27 0.00 0.00 179.45 175.78 2pml h ASN 138 N 0.00 0.00 -3.37 4.20 2.35 -2.03 -3.45 115.58 113.28 2pml h ASN 138 Ca 0.00 -0.30 -0.56 0.00 -0.55 0.00 0.00 56.30 54.89 2pml h ASN 138 Cb 0.38 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.70 2pml h ASN 138 CO 0.00 1.20 0.07 -0.31 -1.65 0.00 0.00 177.43 176.74 2pml s TYR 139 N -2.31 3.72 0.00 1.19 1.51 -1.26 -5.05 117.35 115.15 2pml s TYR 139 Ca -0.23 1.34 0.00 0.00 -1.01 0.00 0.00 57.07 57.17 2pml s TYR 139 Cb 0.04 -2.71 0.00 0.00 -0.11 0.00 0.00 41.96 39.19 2pml s TYR 139 CO 0.44 0.33 0.01 2.41 -1.11 0.00 0.00 175.55 177.64 2pml n THR 140 N 2.67 0.00 -1.84 -0.71 -1.04 -1.26 -4.55 114.28 107.55 2pml n THR 140 Ca -0.05 0.23 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 2pml n THR 140 Cb 0.51 -0.66 0.00 0.00 -1.82 0.00 0.00 70.33 68.36 2pml n THR 140 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2pml s PHE 142 N -0.44 3.54 0.25 0.00 0.40 -1.26 -4.56 117.98 115.91 2pml s PHE 142 Ca 0.00 0.35 -0.31 0.00 -0.60 0.00 0.00 56.93 56.37 2pml s PHE 142 Cb 0.00 -1.82 -0.12 0.00 0.51 0.00 0.00 43.02 41.58 2pml s PHE 142 CO 0.00 0.64 1.56 -0.89 0.70 0.00 0.00 175.22 177.23 2pml n ILE 143 N 0.96 0.74 -2.15 0.64 5.41 -1.26 -4.92 119.36 118.78 2pml n ILE 143 Ca -0.11 -0.19 -0.36 0.00 1.00 0.00 0.00 62.75 63.10 2pml n ILE 143 Cb 0.53 -1.78 0.01 0.00 -0.71 0.00 0.00 39.64 37.69 2pml n ILE 143 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2pml s PRO 144 N -0.09 3.29 0.18 0.38 0.02 -1.26 -4.85 135.00 132.68 2pml s PRO 144 Ca 0.68 1.75 -0.13 0.00 0.02 0.00 0.00 61.00 63.32 2pml s PRO 144 Cb -0.56 -2.06 0.16 0.00 0.02 0.00 0.00 34.50 32.05 2pml s PRO 144 CO 0.45 -0.93 1.77 0.82 -0.33 0.00 0.00 177.00 178.78 2pml h ILE 145 N 1.23 0.90 -0.41 2.83 2.04 -1.97 -1.24 117.51 120.89 2pml h ILE 145 Ca -0.50 -0.15 0.06 0.00 1.00 0.00 0.00 64.86 65.26 2pml h ILE 145 Cb 1.27 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 2pml h ILE 145 CO 0.57 0.08 0.28 1.56 0.00 0.00 0.00 178.15 180.63 2pml h GLN 146 N 0.44 0.31 -0.01 2.37 7.50 -1.99 0.26 115.11 123.99 2pml h GLN 146 Ca 0.23 -0.02 -0.23 0.00 0.50 0.00 0.00 58.65 59.14 2pml h GLN 146 Cb 0.19 -0.07 0.02 0.00 0.05 0.00 0.00 27.48 27.67 2pml h GLN 146 CO -0.20 0.20 -0.87 0.28 -1.50 0.00 0.00 178.83 176.74 2pml h VAL 147 N 0.32 1.33 -0.42 -0.54 2.07 -1.71 -3.04 116.25 114.25 2pml h VAL 147 Ca 0.18 -2.16 0.03 0.00 0.82 0.00 0.00 66.70 65.57 2pml h VAL 147 Cb 0.30 2.42 -0.04 0.00 -1.52 0.00 0.00 31.29 32.45 2pml h VAL 147 CO -0.04 0.66 0.21 0.40 0.02 0.00 0.00 177.57 178.82 2pml h ILE 148 N 0.24 0.96 -0.65 4.57 2.04 0.08 -1.33 117.51 123.43 2pml h ILE 148 Ca -0.11 -0.14 0.12 0.00 1.00 0.00 0.00 64.86 65.73 2pml h ILE 148 Cb 1.54 0.51 -0.12 0.00 -0.74 0.00 0.00 36.82 38.01 2pml h ILE 148 CO 0.17 0.08 -0.29 0.50 0.00 0.00 0.00 178.15 178.61 2pml h LYS 149 N 0.42 -0.10 -0.48 2.37 3.64 -0.64 -1.14 116.57 120.63 2pml h LYS 149 Ca 0.18 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.59 2pml h LYS 149 Cb 0.10 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 2pml h LYS 149 CO -0.13 -0.07 0.28 0.00 -2.27 0.00 0.00 179.45 177.26 2pml h ILE 151 N 0.57 0.87 -0.31 0.00 2.04 -0.64 -0.08 117.51 119.96 2pml h ILE 151 Ca 0.20 -0.14 0.05 0.00 1.00 0.00 0.00 64.86 65.96 2pml h ILE 151 Cb 0.03 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 2pml h ILE 151 CO -0.09 0.03 0.04 0.40 0.00 0.00 0.00 178.15 178.54 2pml h ILE 152 N -0.29 0.83 -0.71 -0.67 1.08 -1.15 0.60 117.51 117.20 2pml h ILE 152 Ca -0.02 -0.05 0.03 0.00 -0.39 0.00 0.00 64.86 64.42 2pml h ILE 152 Cb 0.22 0.67 -0.04 0.00 -3.07 0.00 0.00 36.82 34.60 2pml h ILE 152 CO 0.04 0.03 0.47 0.50 -0.69 0.00 0.00 178.15 178.50 2pml h LYS 153 N 0.15 0.87 -0.22 2.37 3.64 -1.12 0.12 116.57 122.37 2pml h LYS 153 Ca 0.14 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 2pml h LYS 153 Cb 0.17 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 2pml h LYS 153 CO -0.21 0.57 -0.00 1.03 -2.27 0.00 0.00 179.45 178.58 2pml h SER 154 N 0.89 0.39 -0.09 4.20 0.87 0.06 -1.86 113.55 118.01 2pml h SER 154 Ca 0.28 -0.31 -0.21 0.00 -1.23 0.00 0.00 61.79 60.32 2pml h SER 154 Cb 0.01 -0.10 0.01 0.00 -0.44 0.00 0.00 62.40 61.87 2pml h SER 154 CO -0.07 0.60 -0.73 0.58 -0.53 0.00 0.00 176.83 176.68 2pml h VAL 155 N 0.16 1.30 -0.63 2.23 2.07 -0.22 -2.49 116.25 118.66 2pml h VAL 155 Ca 0.06 -1.96 0.13 0.00 0.82 0.00 0.00 66.70 65.75 2pml h VAL 155 Cb 0.40 1.94 -0.10 0.00 -1.52 0.00 0.00 31.29 32.02 2pml h VAL 155 CO 0.01 0.62 0.09 -0.07 0.02 0.00 0.00 177.57 178.24 2pml h LEU 156 N 0.51 -0.09 -1.20 2.57 4.07 -0.83 0.53 115.31 120.87 2pml h LEU 156 Ca -0.04 0.13 0.11 0.00 0.08 0.00 0.00 57.88 58.17 2pml h LEU 156 Cb 1.34 0.20 -0.07 0.00 1.08 0.00 0.00 40.66 43.21 2pml h LEU 156 CO 0.15 -0.04 0.58 0.78 -1.08 0.00 0.00 178.44 178.82 2pml h ASN 157 N 0.21 0.78 0.94 -0.43 2.35 -0.90 -1.60 115.58 116.92 2pml h ASN 157 Ca 0.34 0.03 -0.13 0.00 -0.55 0.00 0.00 56.30 55.99 2pml h ASN 157 Cb 0.54 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 2pml h ASN 157 CO -0.47 0.44 -0.62 0.77 -1.65 0.00 0.00 177.43 175.90 2pml h SER 158 N 0.85 0.00 -0.53 5.81 4.64 -0.73 -2.52 113.55 121.07 2pml h SER 158 Ca 0.43 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.76 2pml h SER 158 Cb 0.50 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.56 2pml h SER 158 CO -0.19 0.62 0.35 -0.26 -0.87 0.00 0.00 176.83 176.47 2pml h PHE 159 N 0.00 0.66 -0.78 4.77 0.05 -0.27 -1.85 116.94 119.52 2pml h PHE 159 Ca -0.01 0.02 0.15 0.00 3.82 0.00 0.00 57.97 61.95 2pml h PHE 159 Cb 1.26 -0.22 -0.10 0.00 2.00 0.00 0.00 35.95 38.89 2pml h PHE 159 CO 0.00 0.41 0.33 0.77 -0.18 0.00 0.00 178.31 179.64 2pml h SER 160 N 0.71 0.32 0.20 2.17 0.02 -0.88 0.23 113.55 116.32 2pml h SER 160 Ca 0.20 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.25 2pml h SER 160 Cb -0.07 0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2pml h SER 160 CO -0.05 0.12 -0.10 0.22 -1.14 0.00 0.00 176.83 175.88 2pml h TYR 161 N 0.47 -0.25 -0.34 3.45 3.20 -1.30 -1.91 116.97 120.30 2pml h TYR 161 Ca 0.43 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 62.15 2pml h TYR 161 Cb 0.65 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.00 2pml h TYR 161 CO -0.15 0.12 -0.36 -0.84 -1.64 0.00 0.00 178.16 175.29 2pml h ILE 162 N -0.69 1.28 -0.01 1.81 3.07 -0.99 0.09 117.51 122.07 2pml h ILE 162 Ca -0.03 -1.53 -0.07 0.00 1.55 0.00 0.00 64.86 64.78 2pml h ILE 162 Cb 0.49 1.48 0.01 0.00 -0.27 0.00 0.00 36.82 38.52 2pml h ILE 162 CO 0.05 0.50 -0.27 0.45 -1.05 0.00 0.00 178.15 177.83 2pml h HIS 163 N 0.63 0.29 0.07 0.16 3.86 -0.62 0.48 115.15 120.02 2pml h HIS 163 Ca 0.05 -0.15 -0.36 0.00 -1.16 0.00 0.00 60.37 58.76 2pml h HIS 163 Cb 0.95 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 29.35 2pml h HIS 163 CO 0.07 0.93 -2.02 0.09 0.86 0.00 0.00 177.93 177.86 2pml n ASN 164 N -4.49 2.05 0.05 2.45 3.02 -0.72 -3.27 115.26 114.34 2pml n ASN 164 Ca -0.10 0.18 -0.21 0.00 -0.03 0.00 0.00 54.58 54.42 2pml n ASN 164 Cb 0.50 -0.78 -0.14 0.00 -0.61 0.00 0.00 39.78 38.74 2pml n ASN 164 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2pml h GLU 165 N -0.17 0.32 0.00 3.52 5.08 -1.18 -3.40 114.58 118.75 2pml h GLU 165 Ca -0.46 -0.55 0.00 0.00 -1.00 0.00 0.00 59.36 57.35 2pml h GLU 165 Cb 1.87 0.20 0.00 0.00 0.50 0.00 0.00 28.75 31.33 2pml h GLU 165 CO -0.03 1.23 -1.16 1.63 -1.00 0.00 0.00 179.01 179.68 2pml n LYS 166 N -3.52 1.34 -3.21 2.33 4.76 -0.09 -5.02 118.16 114.75 2pml n LYS 166 Ca -0.26 -0.06 -0.21 0.00 -2.87 0.00 0.00 58.31 54.91 2pml n LYS 166 Cb 1.06 -1.28 0.05 0.00 -1.84 0.00 0.00 35.03 33.03 2pml n LYS 166 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2pml n ASN 167 N -1.66 -5.85 -4.38 4.39 5.15 0.71 -4.97 115.26 108.65 2pml n ASN 167 Ca 0.00 -0.37 -0.33 0.00 -0.60 0.00 0.00 54.58 53.29 2pml n ASN 167 Cb 0.31 -4.57 -0.14 0.00 -0.53 0.00 0.00 39.78 34.84 2pml n ASN 167 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2pml s ILE 168 N -3.20 2.89 -0.20 -1.44 1.01 0.13 -2.06 121.20 118.34 2pml s ILE 168 Ca 0.40 -0.74 -0.11 0.00 0.00 0.00 0.00 60.65 60.19 2pml s ILE 168 Cb -0.18 -2.17 -0.05 0.00 0.01 0.00 0.00 42.46 40.08 2pml s ILE 168 CO 0.49 0.55 0.18 0.00 0.00 0.00 0.00 174.94 176.17 2pml h HIS 170 N 6.89 0.66 0.00 0.00 2.76 -1.89 -2.63 115.15 120.94 2pml h HIS 170 Ca -0.40 -0.20 0.00 0.00 -2.20 0.00 0.00 60.37 57.57 2pml h HIS 170 Cb 1.16 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.98 2pml h HIS 170 CO 0.61 0.89 0.00 -2.13 -1.30 0.00 0.00 177.93 176.00 2pml n ARG 171 N -4.39 -0.06 -2.69 5.26 3.00 -1.26 -3.22 116.66 113.30 2pml n ARG 171 Ca -0.05 0.02 -0.04 0.00 -0.00 0.00 0.00 57.85 57.78 2pml n ARG 171 Cb 0.43 -3.01 0.12 0.00 0.00 0.00 0.00 32.46 30.00 2pml n ARG 171 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2pml n ASP 172 N -0.03 -1.43 -4.61 6.15 2.03 -1.26 -4.36 116.55 113.04 2pml n ASP 172 Ca 0.00 -2.29 -0.43 0.00 0.52 0.00 0.00 54.79 52.59 2pml n ASP 172 Cb 0.02 0.72 -0.03 0.00 -0.72 0.00 0.00 41.12 41.11 2pml n ASP 172 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2pml s VAL 173 N -0.06 3.36 0.08 5.18 1.01 -1.26 -4.88 120.40 123.83 2pml s VAL 173 Ca 0.14 0.37 -0.11 0.00 0.00 0.00 0.00 61.98 62.38 2pml s VAL 173 Cb 0.43 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 33.37 2pml s VAL 173 CO -0.11 -0.26 0.26 -1.59 0.00 0.00 0.00 175.10 173.40 2pml s LYS 174 N 5.64 0.86 0.29 2.72 -2.85 -1.26 -4.58 119.74 120.55 2pml s LYS 174 Ca 0.85 -0.75 -0.02 0.00 -1.00 0.00 0.00 55.97 55.05 2pml s LYS 174 Cb -0.27 0.36 0.64 0.00 -2.06 0.00 0.00 37.83 36.50 2pml s LYS 174 CO 0.34 -0.28 1.59 -1.35 0.10 0.00 0.00 175.35 175.74 2pml h PRO 175 N 2.90 0.03 0.00 1.78 0.11 -1.93 0.16 132.00 135.05 2pml h PRO 175 Ca -0.33 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2pml h PRO 175 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2pml h PRO 175 CO 0.51 0.02 0.00 0.66 -0.21 0.00 0.00 178.00 178.98 2pml h SER 176 N 0.03 0.00 -0.02 -2.05 4.64 -1.96 -1.91 113.55 112.28 2pml h SER 176 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 2pml h SER 176 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2pml h SER 176 CO -0.87 0.00 -0.11 0.59 -0.87 0.00 0.00 176.83 175.57 2pml n ASN 177 N -2.33 2.43 -4.38 4.97 3.02 0.54 -4.78 115.26 114.74 2pml n ASN 177 Ca -0.01 -1.71 -0.42 0.00 -0.03 0.00 0.00 54.58 52.41 2pml n ASN 177 Cb 0.06 0.13 -0.10 0.00 -0.61 0.00 0.00 39.78 39.26 2pml n ASN 177 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2pml s ILE 178 N -1.79 4.79 0.00 2.41 -1.09 -0.72 -1.35 121.20 123.45 2pml s ILE 178 Ca 0.21 -0.95 -0.02 0.00 -2.23 0.00 0.00 60.65 57.66 2pml s ILE 178 Cb 0.16 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.25 2pml s ILE 178 CO 0.31 -0.36 0.17 -0.76 -1.23 0.00 0.00 174.94 173.07 2pml s LEU 179 N 1.58 4.32 -0.02 2.97 1.43 0.26 -1.55 118.68 127.67 2pml s LEU 179 Ca 0.03 0.31 0.08 0.00 -1.03 0.00 0.00 54.13 53.52 2pml s LEU 179 Cb -0.21 -2.62 -0.02 0.00 0.03 0.00 0.00 46.19 43.37 2pml s LEU 179 CO 0.07 0.25 -0.26 -0.32 0.23 0.00 0.00 176.35 176.32 2pml s MET 180 N -1.99 2.12 0.69 1.70 1.75 -0.02 0.50 119.30 124.05 2pml s MET 180 Ca 0.28 -0.93 0.04 0.00 -1.25 0.00 0.00 55.69 53.83 2pml s MET 180 Cb -0.13 -2.04 0.13 0.00 2.84 0.00 0.00 34.83 35.64 2pml s MET 180 CO 0.19 0.55 0.95 -0.40 -0.65 0.00 0.00 175.02 175.67 2pml n ASP 181 N 2.46 1.68 0.23 1.11 5.68 -0.37 -1.61 116.55 125.73 2pml n ASP 181 Ca -0.16 -2.33 0.09 0.00 -0.50 0.00 0.00 54.79 51.89 2pml n ASP 181 Cb 0.51 -0.58 0.57 0.00 -1.14 0.00 0.00 41.12 40.49 2pml n ASP 181 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2pml h LYS 182 N 0.00 0.00 -0.05 0.11 2.10 -1.89 -3.17 116.57 113.66 2pml h LYS 182 Ca -0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 2pml h LYS 182 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 2pml h LYS 182 CO 0.38 0.20 0.00 0.09 -2.00 0.00 0.00 179.45 178.12 2pml n ASN 183 N -3.81 2.01 0.00 7.07 3.02 -1.26 -3.42 115.26 118.86 2pml n ASN 183 Ca -0.02 -1.68 0.00 0.00 -0.03 0.00 0.00 54.58 52.85 2pml n ASN 183 Cb 0.30 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.45 2pml n ASN 183 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pml n GLY 184 N 1.23 0.82 3.78 7.41 0.00 -1.20 -4.63 105.19 112.61 2pml n GLY 184 Ca 0.17 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 2pml n GLY 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pml s ARG 185 N -0.65 4.56 -0.08 1.61 0.52 -1.26 -4.74 118.95 118.90 2pml s ARG 185 Ca 0.00 1.16 0.04 0.00 -0.52 0.00 0.00 55.73 56.41 2pml s ARG 185 Cb 0.00 -3.23 0.00 0.00 0.52 0.00 0.00 34.95 32.25 2pml s ARG 185 CO 0.00 0.55 -0.21 0.08 0.02 0.00 0.00 175.30 175.75 2pml s VAL 186 N -1.19 1.78 -0.04 3.52 1.01 -1.26 -1.23 120.40 122.99 2pml s VAL 186 Ca 0.37 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.50 2pml s VAL 186 Cb -0.23 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.61 2pml s VAL 186 CO 0.26 0.50 -0.08 -0.54 0.00 0.00 0.00 175.10 175.24 2pml s LYS 187 N 0.37 1.11 0.23 2.72 1.02 0.18 -4.74 119.74 120.63 2pml s LYS 187 Ca -0.16 -0.25 -0.30 0.00 0.02 0.00 0.00 55.97 55.28 2pml s LYS 187 Cb -0.17 -1.01 -0.10 0.00 -0.52 0.00 0.00 37.83 36.04 2pml s LYS 187 CO 0.07 0.01 1.42 -1.17 -0.92 0.00 0.00 175.35 174.76 2pml s LEU 188 N 0.60 4.39 0.00 3.17 2.96 -0.75 -0.57 118.68 128.49 2pml s LEU 188 Ca -0.10 2.60 0.01 0.00 -0.22 0.00 0.00 54.13 56.42 2pml s LEU 188 Cb -0.13 -3.62 -0.00 0.00 0.50 0.00 0.00 46.19 42.94 2pml s LEU 188 CO 0.01 -0.67 0.44 -1.54 -1.32 0.00 0.00 176.35 173.27 2pml n SER 189 N 2.52 -1.19 -2.87 3.68 3.41 -0.45 -0.48 113.62 118.23 2pml n SER 189 Ca 0.07 -3.03 -0.01 0.00 -0.26 0.00 0.00 58.87 55.64 2pml n SER 189 Cb 0.41 2.33 -0.01 0.00 -0.26 0.00 0.00 64.21 66.68 2pml n SER 189 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2pml n ASP 190 N -1.63 -5.96 -2.24 4.04 2.03 -1.26 -4.85 116.55 106.68 2pml n ASP 190 Ca 0.03 1.08 -0.28 0.00 0.52 0.00 0.00 54.79 56.13 2pml n ASP 190 Cb 0.61 -3.77 0.13 0.00 -0.72 0.00 0.00 41.12 37.37 2pml n ASP 190 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2pml n PHE 191 N 1.35 3.08 0.33 -0.67 3.01 -1.26 -4.58 117.46 118.72 2pml n PHE 191 Ca -0.09 -2.38 0.15 0.00 1.01 0.00 0.00 57.45 56.14 2pml n PHE 191 Cb 0.28 -1.15 0.56 0.00 -0.01 0.00 0.00 39.48 39.15 2pml n PHE 191 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2pml h GLY 192 N 1.47 0.00 -0.50 1.37 0.00 -1.92 -2.58 103.07 100.91 2pml h GLY 192 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.94 2pml h GLY 192 CO 1.30 0.00 -0.09 1.18 0.00 0.00 0.00 176.54 178.93 2pml n GLU 193 N -2.78 1.31 -2.43 4.80 4.71 -1.26 -4.88 120.64 120.11 2pml n GLU 193 Ca 0.02 -0.74 -0.37 0.00 -0.01 0.00 0.00 57.16 56.05 2pml n GLU 193 Cb 0.31 -1.08 -0.03 0.00 -1.01 0.00 0.00 31.44 29.63 2pml n GLU 193 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 2pml s SER 194 N -0.97 6.64 0.05 1.62 0.01 -0.97 -4.73 113.70 115.35 2pml s SER 194 Ca 0.08 2.18 0.02 0.00 1.31 0.00 0.00 55.95 59.54 2pml s SER 194 Cb 0.07 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.67 2pml s SER 194 CO 0.16 -0.58 -0.07 -1.61 0.41 0.00 0.00 173.24 171.55 2pml s GLU 195 N -2.39 0.54 -0.09 12.44 2.02 -0.99 -4.83 118.70 125.40 2pml s GLU 195 Ca 0.57 -0.82 -0.30 0.00 0.02 0.00 0.00 54.97 54.44 2pml s GLU 195 Cb -0.26 -0.20 -0.02 0.00 0.10 0.00 0.00 34.13 33.75 2pml s GLU 195 CO 0.33 0.02 1.04 0.71 0.02 0.00 0.00 175.26 177.38 2pml s TYR 196 N -1.77 3.46 0.73 1.61 1.51 -1.26 -1.21 117.35 120.43 2pml s TYR 196 Ca -0.08 1.53 -0.11 0.00 -1.01 0.00 0.00 57.07 57.40 2pml s TYR 196 Cb -0.07 -3.23 0.03 0.00 -0.11 0.00 0.00 41.96 38.58 2pml s TYR 196 CO -0.01 -0.43 1.09 -1.64 -1.11 0.00 0.00 175.55 173.45 2pml s MET 197 N 1.97 2.52 -0.22 -0.62 -1.94 -0.87 -4.90 119.30 115.23 2pml s MET 197 Ca 0.50 1.15 0.01 0.00 -1.71 0.00 0.00 55.69 55.64 2pml s MET 197 Cb -0.20 -1.93 0.05 0.00 2.01 0.00 0.00 34.83 34.77 2pml s MET 197 CO 0.19 -1.44 -0.07 0.08 -0.01 0.00 0.00 175.02 173.77 2pml s VAL 198 N -2.84 1.60 -1.43 -6.03 1.01 -0.21 -4.71 120.40 107.80 2pml s VAL 198 Ca 0.61 -1.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 2pml s VAL 198 Cb -0.17 -1.79 0.03 0.00 0.00 0.00 0.00 36.38 34.45 2pml s VAL 198 CO 0.53 -0.00 0.65 0.47 0.00 0.00 0.00 175.10 176.75 2pml n ASP 199 N 4.66 -1.70 0.00 3.32 8.00 -1.26 -1.77 116.55 127.81 2pml n ASP 199 Ca -0.13 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.47 2pml n ASP 199 Cb 0.45 -3.52 0.00 0.00 -0.02 0.00 0.00 41.12 38.03 2pml n ASP 199 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2pml n LYS 200 N -4.41 0.00 -3.20 -1.24 4.76 -1.26 -4.99 118.16 107.82 2pml n LYS 200 Ca -0.21 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 54.89 2pml n LYS 200 Cb 0.64 -2.79 -0.06 0.00 -1.84 0.00 0.00 35.03 30.98 2pml n LYS 200 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2pml s LYS 201 N -0.12 4.08 0.14 1.97 -2.85 -0.73 -0.11 119.74 122.13 2pml s LYS 201 Ca 0.00 0.67 0.06 0.00 -1.00 0.00 0.00 55.97 55.70 2pml s LYS 201 Cb 0.00 -2.77 -0.04 0.00 -2.06 0.00 0.00 37.83 32.96 2pml s LYS 201 CO 0.00 0.35 0.05 0.96 0.10 0.00 0.00 175.35 176.81 2pml s ILE 202 N -1.64 4.09 0.00 3.79 -4.36 -0.29 -1.04 121.20 121.75 2pml s ILE 202 Ca 0.45 -1.16 0.00 0.00 -0.26 0.00 0.00 60.65 59.67 2pml s ILE 202 Cb -0.14 -3.03 0.00 0.00 1.25 0.00 0.00 42.46 40.53 2pml s ILE 202 CO 0.20 -0.03 0.43 0.29 0.24 0.00 0.00 174.94 176.06 2pml n LYS 203 N 0.02 0.00 0.00 0.37 5.02 -1.26 -4.02 118.16 118.29 2pml n LYS 203 Ca -0.09 0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 2pml n LYS 203 Cb 0.54 -0.91 0.00 0.00 -0.02 0.00 0.00 35.03 34.64 2pml n LYS 203 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pml n GLY 204 N -0.87 1.52 2.44 0.72 0.00 -1.26 -4.64 105.19 103.10 2pml n GLY 204 Ca 0.00 0.44 -0.00 0.00 0.00 0.00 0.00 46.02 46.46 2pml n GLY 204 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2pml n SER 205 N 0.00 -6.67 -3.63 1.61 2.88 -1.26 -5.10 113.62 101.45 2pml n SER 205 Ca 0.00 1.12 -0.07 0.00 -1.33 0.00 0.00 58.87 58.59 2pml n SER 205 Cb 0.00 -4.39 -0.07 0.00 -0.75 0.00 0.00 64.21 59.01 2pml n SER 205 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2pml s ARG 206 N -1.27 0.36 0.00 -1.46 3.52 -1.26 -5.15 118.95 113.69 2pml s ARG 206 Ca -0.00 0.35 0.00 0.00 -0.13 0.00 0.00 55.73 55.94 2pml s ARG 206 Cb 0.00 0.17 0.00 0.00 -1.56 0.00 0.00 34.95 33.56 2pml s ARG 206 CO 0.61 -0.06 0.00 0.41 -0.81 0.00 0.00 175.30 175.45 2pml n GLY 207 N 1.72 0.56 3.46 8.12 0.00 -1.26 -4.90 105.19 112.89 2pml n GLY 207 Ca -0.11 -1.82 -0.35 0.00 0.00 0.00 0.00 46.02 43.74 2pml n GLY 207 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pml s THR 208 N -2.25 4.09 0.23 2.61 2.01 -1.26 -5.01 115.64 116.06 2pml s THR 208 Ca 0.00 -0.26 -0.09 0.00 0.31 0.00 0.00 61.69 61.64 2pml s THR 208 Cb 0.00 -2.86 0.25 0.00 0.01 0.00 0.00 72.50 69.90 2pml s THR 208 CO 0.00 0.41 1.64 1.88 -0.69 0.00 0.00 174.62 177.86 2pml h TYR 209 N 7.59 -0.11 0.00 4.92 0.05 -1.98 -0.54 116.97 126.90 2pml h TYR 209 Ca -0.37 0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.47 2pml h TYR 209 Cb 1.18 0.16 0.00 0.00 1.01 0.00 0.00 36.73 39.08 2pml h TYR 209 CO 0.60 -0.23 0.00 -0.85 -1.05 0.00 0.00 178.16 176.63 2pml n GLU 210 N -5.35 0.48 -0.07 4.88 0.00 -1.26 -2.00 120.64 117.32 2pml n GLU 210 Ca 0.11 0.03 0.07 0.00 0.00 0.00 0.00 57.16 57.38 2pml n GLU 210 Cb 0.42 -1.50 0.10 0.00 0.00 0.00 0.00 31.44 30.46 2pml n GLU 210 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2pml n PHE 211 N -1.22 0.19 -2.85 -1.84 3.01 -0.22 -4.88 117.46 109.65 2pml n PHE 211 Ca 0.14 -0.16 -0.40 0.00 1.01 0.00 0.00 57.45 58.04 2pml n PHE 211 Cb 0.18 -0.01 -0.05 0.00 -0.01 0.00 0.00 39.48 39.59 2pml n PHE 211 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 2pml s MET 212 N -1.13 4.63 0.67 -1.08 -1.94 -0.85 -4.35 119.30 115.25 2pml s MET 212 Ca 0.21 1.28 -0.13 0.00 -1.71 0.00 0.00 55.69 55.34 2pml s MET 212 Cb 0.13 -3.35 0.00 0.00 2.01 0.00 0.00 34.83 33.63 2pml s MET 212 CO 0.19 0.31 1.08 -1.25 -0.01 0.00 0.00 175.02 175.34 2pml s PRO 213 N -0.28 2.86 0.33 2.03 0.04 -1.26 -4.96 135.00 133.75 2pml s PRO 213 Ca 0.42 1.18 0.11 0.00 0.04 0.00 0.00 61.00 62.75 2pml s PRO 213 Cb -0.23 -1.97 0.92 0.00 0.04 0.00 0.00 34.50 33.27 2pml s PRO 213 CO 0.27 -1.18 1.73 -1.35 0.04 0.00 0.00 177.00 176.51 2pml h PRO 214 N -0.30 0.53 -0.99 0.56 0.11 -1.81 -2.23 132.00 127.86 2pml h PRO 214 Ca -0.45 -0.03 0.34 0.00 0.11 0.00 0.00 66.00 65.96 2pml h PRO 214 Cb 1.23 -0.12 -0.18 0.00 0.11 0.00 0.00 31.00 32.04 2pml h PRO 214 CO 0.55 0.35 0.30 0.93 -0.21 0.00 0.00 178.00 179.92 2pml h GLU 215 N 0.54 0.03 0.00 1.05 3.07 -1.93 0.17 114.58 117.52 2pml h GLU 215 Ca 0.65 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.51 2pml h GLU 215 Cb 1.29 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 2pml h GLU 215 CO -0.47 0.02 0.00 0.74 -1.40 0.00 0.00 179.01 177.90 2pml h PHE 216 N 0.04 0.00 -0.46 4.33 -1.00 -1.77 -1.53 116.94 116.54 2pml h PHE 216 Ca 0.71 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.49 2pml h PHE 216 Cb 1.70 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.26 2pml h PHE 216 CO -0.24 0.00 0.00 1.19 -1.61 0.00 0.00 178.31 177.65 2pml n PHE 217 N -2.55 1.60 -2.99 -0.55 3.01 0.60 -4.98 117.46 111.60 2pml n PHE 217 Ca -0.02 -0.77 0.00 0.00 1.01 0.00 0.00 57.45 57.67 2pml n PHE 217 Cb 0.05 -0.41 0.00 0.00 -0.01 0.00 0.00 39.48 39.11 2pml n PHE 217 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2pml n SER 218 N 0.25 0.21 -0.02 4.37 7.64 -0.58 -5.01 113.62 120.48 2pml n SER 218 Ca 0.25 -0.89 0.13 0.00 1.01 0.00 0.00 58.87 59.38 2pml n SER 218 Cb 1.05 0.00 0.51 0.00 -1.01 0.00 0.00 64.21 64.76 2pml n SER 218 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2pml n ASN 219 N -2.48 0.22 0.06 6.43 5.03 -1.26 -4.78 115.26 118.47 2pml n ASN 219 Ca 0.00 0.09 -0.11 0.00 0.87 0.00 0.00 54.58 55.43 2pml n ASN 219 Cb 0.00 -0.20 -0.05 0.00 -1.02 0.00 0.00 39.78 38.51 2pml n ASN 219 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 2pml h GLU 220 N 0.08 -0.30 0.00 3.52 4.39 -1.95 -3.46 114.58 116.85 2pml h GLU 220 Ca 0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2pml h GLU 220 Cb 0.47 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2pml h GLU 220 CO 0.00 -0.20 0.00 0.45 -1.16 0.00 0.00 179.01 178.10 2pml n SER 221 N -5.32 0.00 -4.13 1.42 2.88 -1.26 -4.95 113.62 102.25 2pml n SER 221 Ca -0.05 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.29 2pml n SER 221 Cb 0.24 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.57 2pml n SER 221 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2pml s SER 222 N -0.06 1.61 -0.01 -3.46 0.01 -1.26 -4.60 113.70 105.93 2pml s SER 222 Ca 0.00 -0.44 -0.04 0.00 1.31 0.00 0.00 55.95 56.78 2pml s SER 222 Cb 0.00 -0.10 -0.00 0.00 0.21 0.00 0.00 66.02 66.12 2pml s SER 222 CO 0.00 0.03 0.08 -0.31 0.41 0.00 0.00 173.24 173.45 2pml s TYR 223 N -0.83 0.05 -0.24 2.43 1.51 -1.26 -5.01 117.35 114.01 2pml s TYR 223 Ca 0.01 -0.12 -0.29 0.00 -1.01 0.00 0.00 57.07 55.67 2pml s TYR 223 Cb -0.08 -0.06 -0.04 0.00 -0.11 0.00 0.00 41.96 41.68 2pml s TYR 223 CO 0.01 -0.18 1.89 1.21 -1.11 0.00 0.00 175.55 177.37 2pml s ASN 224 N -0.92 5.94 0.25 2.29 2.47 -1.26 -1.14 114.94 122.56 2pml s ASN 224 Ca -0.10 1.67 -0.12 0.00 0.42 0.00 0.00 52.86 54.72 2pml s ASN 224 Cb -0.06 -2.52 0.33 0.00 -1.45 0.00 0.00 41.25 37.55 2pml s ASN 224 CO 0.00 -1.61 1.57 1.23 -3.72 0.00 0.00 177.10 174.58 2pml h GLY 225 N 13.31 0.45 0.33 1.21 0.00 -0.81 -2.12 103.07 115.44 2pml h GLY 225 Ca -0.37 0.36 0.06 0.00 0.00 0.00 0.00 47.33 47.38 2pml h GLY 225 CO 1.00 -0.30 -0.11 0.00 0.00 0.00 0.00 176.54 177.12 2pml h ALA 226 N 1.69 0.14 0.00 3.60 0.00 -1.91 -2.49 119.26 120.28 2pml h ALA 226 Ca 0.39 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.37 2pml h ALA 226 Cb 0.63 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2pml h ALA 226 CO -0.91 -0.51 -0.22 0.87 0.00 0.00 0.00 179.25 178.48 2pml h LYS 227 N -0.06 0.00 -0.13 0.00 1.79 -1.76 0.15 116.57 116.56 2pml h LYS 227 Ca 0.15 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.61 2pml h LYS 227 Cb 0.28 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 2pml h LYS 227 CO -0.33 0.22 0.03 0.28 -1.08 0.00 0.00 179.45 178.57 2pml h VAL 228 N 0.00 1.20 -0.21 0.50 2.07 -1.12 -0.87 116.25 117.82 2pml h VAL 228 Ca -0.00 -0.61 -0.10 0.00 0.82 0.00 0.00 66.70 66.81 2pml h VAL 228 Cb 0.43 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2pml h VAL 228 CO 0.03 0.18 -0.30 0.44 0.02 0.00 0.00 177.57 177.94 2pml h ASP 229 N 0.00 0.42 0.21 0.57 3.32 -0.89 -2.59 116.42 117.46 2pml h ASP 229 Ca 0.04 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 2pml h ASP 229 Cb 0.25 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 2pml h ASP 229 CO 0.00 0.70 -0.13 0.40 -1.72 0.00 0.00 179.24 178.50 2pml h ILE 230 N 0.36 0.73 -0.79 0.35 1.08 -0.67 -2.02 117.51 116.55 2pml h ILE 230 Ca 0.05 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.67 2pml h ILE 230 Cb 0.71 0.73 -0.10 0.00 -3.07 0.00 0.00 36.82 35.09 2pml h ILE 230 CO 0.05 0.00 0.34 -0.25 -0.69 0.00 0.00 178.15 177.60 2pml h TRP 231 N -0.33 0.58 -0.10 1.37 7.01 -0.88 -0.92 115.95 122.68 2pml h TRP 231 Ca -0.02 0.04 -0.12 0.00 2.11 0.00 0.00 58.89 60.89 2pml h TRP 231 Cb 0.27 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.19 2pml h TRP 231 CO -0.08 0.07 -0.49 0.77 -2.79 0.00 0.00 178.44 175.92 2pml h SER 232 N 0.47 0.27 0.24 2.65 0.02 -1.30 -1.57 113.55 114.33 2pml h SER 232 Ca 0.44 -0.13 -0.12 0.00 -0.84 0.00 0.00 61.79 61.14 2pml h SER 232 Cb 0.68 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 2pml h SER 232 CO -0.41 0.71 -0.46 0.25 -1.14 0.00 0.00 176.83 175.78 2pml h LEU 233 N 0.20 0.29 -0.00 5.07 5.85 -0.55 -1.65 115.31 124.51 2pml h LEU 233 Ca 0.01 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2pml h LEU 233 Cb 0.93 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 2pml h LEU 233 CO 0.08 0.71 0.00 1.23 -0.34 0.00 0.00 178.44 180.12 2pml h GLY 234 N 1.27 0.00 0.57 3.75 0.00 -0.29 0.18 103.07 108.56 2pml h GLY 234 Ca 0.01 -0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.38 2pml h GLY 234 CO 0.07 0.00 -0.09 -2.22 0.00 0.00 0.00 176.54 174.30 2pml h ILE 235 N -0.02 0.72 -0.72 2.60 1.08 -1.14 0.20 117.51 120.24 2pml h ILE 235 Ca 0.00 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.61 2pml h ILE 235 Cb 0.02 0.72 -0.09 0.00 -3.07 0.00 0.00 36.82 34.40 2pml h ILE 235 CO -0.00 0.00 0.25 0.00 -0.69 0.00 0.00 178.15 177.71 2pml h LEU 237 N 0.39 -0.29 -0.76 0.00 6.46 0.17 0.52 115.31 121.79 2pml h LEU 237 Ca 0.39 0.06 0.06 0.00 -0.12 0.00 0.00 57.88 58.28 2pml h LEU 237 Cb 0.60 0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 40.62 2pml h LEU 237 CO -0.42 -0.13 0.45 0.22 -0.62 0.00 0.00 178.44 177.95 2pml h TYR 238 N -0.11 0.82 -0.71 1.25 3.20 0.11 -0.47 116.97 121.06 2pml h TYR 238 Ca 0.07 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.90 2pml h TYR 238 Cb 0.21 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.20 2pml h TYR 238 CO -0.20 0.40 0.18 0.28 -1.64 0.00 0.00 178.16 177.18 2pml h VAL 239 N 0.81 1.26 0.00 1.81 2.07 0.67 -1.14 116.25 121.73 2pml h VAL 239 Ca 0.34 -0.96 -0.08 0.00 0.82 0.00 0.00 66.70 66.83 2pml h VAL 239 Cb 0.20 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2pml h VAL 239 CO -0.19 0.37 -0.36 0.24 0.02 0.00 0.00 177.57 177.65 2pml h MET 240 N 1.06 0.00 -0.04 1.57 2.86 0.70 0.67 114.93 121.75 2pml h MET 240 Ca 0.22 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.81 2pml h MET 240 Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 2pml h MET 240 CO 0.00 0.36 -0.17 0.74 1.06 0.00 0.00 176.91 178.90 2pml h PHE 241 N 0.00 0.24 -0.00 -0.22 0.05 -0.87 -3.40 116.94 112.74 2pml h PHE 241 Ca -0.00 -0.11 0.00 0.00 3.82 0.00 0.00 57.97 61.68 2pml h PHE 241 Cb 0.65 -0.04 0.00 0.00 2.00 0.00 0.00 35.95 38.56 2pml h PHE 241 CO 0.00 0.81 -0.38 0.66 -0.18 0.00 0.00 178.31 179.22 2pml n TYR 242 N -4.59 0.00 -1.44 -0.55 4.02 -0.45 -4.54 117.16 109.61 2pml n TYR 242 Ca -0.09 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.65 2pml n TYR 242 Cb 0.42 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.68 2pml n TYR 242 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2pml n ASN 243 N -1.04 -5.05 -3.86 7.72 3.02 0.23 -4.84 115.26 111.44 2pml n ASN 243 Ca 0.02 0.37 -0.11 0.00 -0.03 0.00 0.00 54.58 54.83 2pml n ASN 243 Cb 0.15 -3.88 -0.10 0.00 -0.61 0.00 0.00 39.78 35.34 2pml n ASN 243 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2pml s VAL 244 N -2.49 0.08 0.30 2.41 0.11 -1.25 -2.58 120.40 116.98 2pml s VAL 244 Ca 0.00 -0.67 -0.27 0.00 -2.93 0.00 0.00 61.98 58.11 2pml s VAL 244 Cb 0.00 -0.46 -0.10 0.00 -1.53 0.00 0.00 36.38 34.30 2pml s VAL 244 CO 0.00 -0.37 0.95 0.54 -3.33 0.00 0.00 175.10 172.90 2pml s VAL 245 N -1.39 4.13 0.00 2.04 0.11 -1.26 -3.85 120.40 120.18 2pml s VAL 245 Ca -0.15 1.89 0.00 0.00 -2.93 0.00 0.00 61.98 60.79 2pml s VAL 245 Cb -0.07 -4.10 0.00 0.00 -1.53 0.00 0.00 36.38 30.67 2pml s VAL 245 CO 0.02 0.26 0.00 -0.81 -3.33 0.00 0.00 175.10 171.24 2pml n PRO 246 N 0.86 0.00 0.27 1.54 -0.04 -1.26 -4.29 135.00 132.08 2pml n PRO 246 Ca 0.01 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.64 2pml n PRO 246 Cb 0.49 0.00 0.72 0.00 -0.04 0.00 0.00 33.50 34.67 2pml n PRO 246 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2pml h PHE 247 N 0.00 0.00 0.00 0.54 -0.00 -1.96 -3.42 116.94 112.10 2pml h PHE 247 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 2pml h PHE 247 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 35.95 2pml h PHE 247 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 178.31 178.74 2pml n SER 248 N -3.00 0.00 -1.25 -0.68 7.64 -1.26 -4.90 113.62 110.17 2pml n SER 248 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 2pml n SER 248 Cb 0.27 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.42 2pml n SER 248 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2pml n LEU 249 N 0.00 -1.08 -4.67 -3.43 4.77 -1.26 -4.76 117.00 106.57 2pml n LEU 249 Ca 0.00 2.17 -0.30 0.00 -0.03 0.00 0.00 56.01 57.85 2pml n LEU 249 Cb 0.00 -2.51 0.16 0.00 -2.33 0.00 0.00 43.42 38.75 2pml n LEU 249 CO 0.00 -1.35 0.65 -0.54 -1.33 0.00 0.00 177.39 174.81 2pml s LYS 250 N -4.53 0.88 0.00 3.23 3.01 -1.26 -4.74 119.74 116.33 2pml s LYS 250 Ca 0.00 1.08 0.00 0.00 -1.01 0.00 0.00 55.97 56.04 2pml s LYS 250 Cb 0.00 -1.75 0.00 0.00 -1.01 0.00 0.00 37.83 35.07 2pml s LYS 250 CO 0.00 -2.57 0.00 1.51 0.51 0.00 0.00 175.35 174.80 2pml n ILE 251 N -4.15 -1.20 -4.29 2.17 3.06 -1.26 -4.94 119.36 108.76 2pml n ILE 251 Ca 0.08 0.14 -0.13 0.00 -2.50 0.00 0.00 62.75 60.33 2pml n ILE 251 Cb 0.54 -2.44 -0.03 0.00 0.54 0.00 0.00 39.64 38.25 2pml n ILE 251 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 2pml n SER 252 N 2.08 1.76 0.08 9.51 7.64 -1.26 -5.04 113.62 128.39 2pml n SER 252 Ca 0.00 -2.04 0.04 0.00 1.01 0.00 0.00 58.87 57.88 2pml n SER 252 Cb 0.14 0.35 -0.02 0.00 -1.01 0.00 0.00 64.21 63.67 2pml n SER 252 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2pml h LEU 253 N 0.00 0.00 -0.24 -3.43 4.07 -1.92 -2.24 115.31 111.55 2pml h LEU 253 Ca -0.17 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.79 2pml h LEU 253 Cb 0.59 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.32 2pml h LEU 253 CO 0.28 0.38 0.14 0.58 -1.08 0.00 0.00 178.44 178.74 2pml h VAL 254 N 0.00 1.10 0.00 1.22 2.07 -1.99 0.20 116.25 118.85 2pml h VAL 254 Ca -0.08 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 2pml h VAL 254 Cb 1.36 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 2pml h VAL 254 CO 0.04 0.10 -0.06 -0.08 0.02 0.00 0.00 177.57 177.58 2pml h GLU 255 N 0.29 0.00 -0.12 1.57 4.81 -1.96 0.55 114.58 119.73 2pml h GLU 255 Ca 0.09 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.09 2pml h GLU 255 Cb 0.04 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.42 2pml h GLU 255 CO -0.02 0.06 -0.81 1.25 -0.73 0.00 0.00 179.01 178.77 2pml h LEU 256 N 0.00 0.85 0.00 1.64 5.85 -0.67 -3.29 115.31 119.70 2pml h LEU 256 Ca -0.00 -0.58 -0.28 0.00 0.84 0.00 0.00 57.88 57.86 2pml h LEU 256 Cb 0.15 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 2pml h LEU 256 CO 0.01 1.37 -1.63 -0.26 -0.34 0.00 0.00 178.44 177.59 2pml h PHE 257 N 0.47 0.00 0.00 1.25 0.05 0.71 -2.08 116.94 117.34 2pml h PHE 257 Ca -0.06 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.73 2pml h PHE 257 Cb 1.43 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.38 2pml h PHE 257 CO 0.08 0.98 0.00 -0.91 -0.18 0.00 0.00 178.31 178.28 2pml h ASN 258 N 0.00 0.00 0.00 2.17 2.35 -0.14 -3.29 115.58 116.67 2pml h ASN 258 Ca -0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 2pml h ASN 258 Cb 1.97 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.34 2pml h ASN 258 CO 0.08 0.00 -0.37 0.78 -1.65 0.00 0.00 177.43 176.27 2pml h ASN 259 N 0.00 0.00 -0.66 5.81 4.21 -1.59 -3.38 115.58 119.97 2pml h ASN 259 Ca 0.00 0.00 0.13 0.00 1.21 0.00 0.00 56.30 57.64 2pml h ASN 259 Cb 0.25 0.00 -0.12 0.00 -1.12 0.00 0.00 38.32 37.32 2pml h ASN 259 CO 0.00 0.63 -0.13 0.40 -1.29 0.00 0.00 177.43 177.04 2pml h ILE 260 N -0.89 0.36 -0.58 2.81 2.04 -1.45 -1.83 117.51 117.97 2pml h ILE 260 Ca 0.00 -0.01 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 2pml h ILE 260 Cb 0.37 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 2pml h ILE 260 CO 0.00 0.00 0.08 0.08 0.00 0.00 0.00 178.15 178.31 2pml h ARG 261 N 0.02 0.94 -3.04 2.37 0.11 -1.81 -3.43 114.38 109.54 2pml h ARG 261 Ca 0.32 -0.23 -0.26 0.00 0.10 0.00 0.00 59.98 59.91 2pml h ARG 261 Cb 0.51 -0.12 -0.34 0.00 1.11 0.00 0.00 29.97 31.13 2pml h ARG 261 CO -0.66 0.88 -0.59 -0.08 0.10 0.00 0.00 179.97 179.61 2pml s THR 262 N -5.13 -0.27 0.00 0.08 -1.32 -0.69 -4.98 115.64 103.33 2pml s THR 262 Ca -0.11 0.30 0.00 0.00 -1.21 0.00 0.00 61.69 60.68 2pml s THR 262 Cb 0.15 -0.33 0.00 0.00 -1.51 0.00 0.00 72.50 70.80 2pml s THR 262 CO 0.83 0.13 0.00 1.17 -2.21 0.00 0.00 174.62 174.53 2pml n LYS 263 N 5.14 0.00 -3.32 7.08 4.81 -1.23 -4.43 118.16 126.21 2pml n LYS 263 Ca -0.09 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 56.97 2pml n LYS 263 Cb 0.50 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.49 2pml n LYS 263 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2pml s ASN 264 N 0.00 6.77 0.24 3.14 0.02 -1.26 -4.96 114.94 118.89 2pml s ASN 264 Ca 0.00 0.92 -0.30 0.00 -1.02 0.00 0.00 52.86 52.46 2pml s ASN 264 Cb 0.00 -2.30 -0.09 0.00 0.02 0.00 0.00 41.25 38.88 2pml s ASN 264 CO 0.00 0.08 1.19 -0.63 0.02 0.00 0.00 177.10 177.76 2pml s ILE 265 N 0.14 3.38 -0.10 0.60 1.09 -1.26 -5.02 121.20 120.04 2pml s ILE 265 Ca 0.27 1.26 -0.15 0.00 -1.10 0.00 0.00 60.65 60.93 2pml s ILE 265 Cb -0.16 -3.81 -0.05 0.00 -1.06 0.00 0.00 42.46 37.39 2pml s ILE 265 CO 0.12 0.25 0.37 -0.70 -0.10 0.00 0.00 174.94 174.88 2pml s GLU 266 N -0.86 4.13 -0.67 2.79 2.12 -1.26 -5.04 118.70 119.91 2pml s GLU 266 Ca 0.50 0.28 0.05 0.00 0.36 0.00 0.00 54.97 56.16 2pml s GLU 266 Cb -0.34 -3.35 0.21 0.00 0.26 0.00 0.00 34.13 30.91 2pml s GLU 266 CO 0.41 0.39 0.61 0.66 -0.54 0.00 0.00 175.26 176.78 2pml n TYR 267 N 2.97 3.32 -0.12 5.30 4.02 -1.26 -5.06 117.16 126.33 2pml n TYR 267 Ca -0.12 -4.22 0.00 0.00 -0.01 0.00 0.00 57.90 53.55 2pml n TYR 267 Cb 0.52 -0.58 0.00 0.00 -0.02 0.00 0.00 39.34 39.26 2pml n TYR 267 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2pml n PRO 268 N 1.47 3.26 -4.04 -0.72 -0.04 -1.26 -5.05 135.00 128.63 2pml n PRO 268 Ca 0.25 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.37 2pml n PRO 268 Cb 0.38 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.69 2pml n PRO 268 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2pml s LEU 269 N 0.00 2.49 0.00 1.53 1.43 -1.26 -4.87 118.68 118.00 2pml s LEU 269 Ca 0.00 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 2pml s LEU 269 Cb 0.00 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.64 2pml s LEU 269 CO 0.00 -0.02 0.00 0.47 0.23 0.00 0.00 176.35 177.03 2pml n ASP 270 N 4.68 0.00 -4.54 2.29 8.00 -1.26 -3.66 116.55 122.06 2pml n ASP 270 Ca -0.20 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 54.88 2pml n ASP 270 Cb 0.50 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.53 2pml n ASP 270 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2pml s ARG 271 N 0.00 3.43 0.00 -1.24 3.52 -1.26 -4.52 118.95 118.88 2pml s ARG 271 Ca 0.00 -0.23 0.00 0.00 -0.13 0.00 0.00 55.73 55.37 2pml s ARG 271 Cb 0.00 -3.89 0.00 0.00 -1.56 0.00 0.00 34.95 29.50 2pml s ARG 271 CO 0.00 -0.89 0.00 -1.71 -0.81 0.00 0.00 175.30 171.89 2pml n ASN 272 N 6.14 0.00 0.00 -2.12 4.05 -1.24 -4.78 115.26 117.30 2pml n ASN 272 Ca -0.02 0.00 0.14 0.00 0.45 0.00 0.00 54.58 55.15 2pml n ASN 272 Cb 0.48 0.21 0.85 0.00 1.23 0.00 0.00 39.78 42.55 2pml n ASN 272 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 2pml n HIS 273 N -2.37 0.00 -0.14 1.20 -0.00 -1.26 -3.79 115.22 108.87 2pml n HIS 273 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2pml n HIS 273 Cb 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2pml n HIS 273 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 2pml n PHE 274 N -1.00 0.00 0.26 4.41 -0.00 -1.26 -4.70 117.46 115.16 2pml n PHE 274 Ca 0.21 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.79 2pml n PHE 274 Cb 0.10 0.00 0.70 0.00 -0.00 0.00 0.00 39.48 40.28 2pml n PHE 274 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 2pml h LEU 275 N 0.00 0.00 0.05 -2.13 6.46 -1.87 -3.30 115.31 114.53 2pml h LEU 275 Ca 0.00 0.00 -0.36 0.00 -0.12 0.00 0.00 57.88 57.40 2pml h LEU 275 Cb 0.07 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 39.96 2pml h LEU 275 CO 0.00 0.13 -2.14 0.00 -0.62 0.00 0.00 178.44 175.81 2pml n TYR 276 N -3.60 0.71 -0.17 1.25 4.11 -1.26 -3.45 117.16 114.75 2pml n TYR 276 Ca -0.02 0.17 -0.01 0.00 -0.00 0.00 0.00 57.90 58.04 2pml n TYR 276 Cb 0.26 -1.10 0.07 0.00 -0.00 0.00 0.00 39.34 38.57 2pml n TYR 276 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.86 175.51 2pml h PRO 277 N 0.03 0.11 0.00 -3.48 0.11 -1.86 -1.00 132.00 125.91 2pml h PRO 277 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2pml h PRO 277 Cb 2.02 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 33.10 2pml h PRO 277 CO 0.03 0.07 0.00 -0.11 -0.21 0.00 0.00 178.00 177.78 2pml n LEU 278 N -5.24 0.00 -0.46 2.35 0.00 -1.24 -5.20 117.00 107.20 2pml n LEU 278 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 56.01 56.04 2pml n LEU 278 Cb 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.69 2pml n LEU 278 CO 0.14 0.00 -0.03 1.07 0.00 0.00 0.00 177.39 178.57 2pml n THR 279 N -0.66 0.00 -0.02 1.96 5.66 -0.38 -5.10 114.28 115.74 2pml n THR 279 Ca 0.05 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.04 2pml n THR 279 Cb 0.03 -0.61 -0.01 0.00 -1.55 0.00 0.00 70.33 68.19 2pml n THR 279 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2pml n ASN 288 N 0.74 0.42 -3.56 1.09 5.15 -1.26 -4.63 115.26 113.21 2pml n ASN 288 Ca -0.03 0.14 -0.14 0.00 -0.60 0.00 0.00 54.58 53.95 2pml n ASN 288 Cb 0.26 -0.56 -0.05 0.00 -0.53 0.00 0.00 39.78 38.90 2pml n ASN 288 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 2pml s PHE 289 N -1.38 -0.43 0.00 1.20 -0.71 -1.26 -4.41 117.98 110.98 2pml s PHE 289 Ca -0.06 0.45 0.00 0.00 -1.04 0.00 0.00 56.93 56.28 2pml s PHE 289 Cb 0.01 0.37 0.00 0.00 -1.21 0.00 0.00 43.02 42.18 2pml s PHE 289 CO 0.08 -0.67 0.00 1.28 -1.34 0.00 0.00 175.22 174.57 2pml n LEU 290 N 0.29 0.00 -3.63 -1.99 4.77 -1.26 -4.96 117.00 110.21 2pml n LEU 290 Ca -0.18 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.69 2pml n LEU 290 Cb 0.61 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.63 2pml n LEU 290 CO 0.19 -0.14 0.49 -0.94 -1.33 0.00 0.00 177.39 175.66 2pml s SER 291 N -1.37 -0.70 0.00 -1.43 1.04 -1.26 -5.07 113.70 104.91 2pml s SER 291 Ca 0.00 1.30 0.00 0.00 0.48 0.00 0.00 55.95 57.73 2pml s SER 291 Cb 0.00 1.31 0.00 0.00 0.10 0.00 0.00 66.02 67.43 2pml s SER 291 CO 0.00 -0.22 0.00 0.59 0.98 0.00 0.00 173.24 174.59 2pml n ASN 292 N 2.91 0.00 -0.16 7.02 3.02 -1.26 0.67 115.26 127.46 2pml n ASN 292 Ca -0.15 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.46 2pml n ASN 292 Cb 0.56 0.00 0.36 0.00 -0.61 0.00 0.00 39.78 40.09 2pml n ASN 292 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2pml h GLU 293 N 0.00 0.71 -0.64 3.52 3.07 -1.99 -1.69 114.58 117.57 2pml h GLU 293 Ca 0.00 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 58.77 2pml h GLU 293 Cb 0.00 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 27.72 2pml h GLU 293 CO 0.00 0.47 0.21 -0.44 -1.40 0.00 0.00 179.01 177.85 2pml h ASP 294 N 0.73 0.92 0.22 1.42 3.32 -0.19 -1.61 116.42 121.24 2pml h ASP 294 Ca 0.29 -0.20 -0.21 0.00 0.02 0.00 0.00 57.03 56.93 2pml h ASP 294 Cb 0.21 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2pml h ASP 294 CO -0.09 0.88 -0.83 0.40 -1.72 0.00 0.00 179.24 177.88 2pml h ILE 295 N 0.91 1.37 0.18 0.35 2.04 -1.57 -2.77 117.51 118.03 2pml h ILE 295 Ca 0.21 -2.23 0.00 0.00 1.00 0.00 0.00 64.86 63.83 2pml h ILE 295 Cb 0.28 2.22 -0.03 0.00 -0.74 0.00 0.00 36.82 38.55 2pml h ILE 295 CO -0.01 0.68 -0.38 0.44 0.00 0.00 0.00 178.15 178.88 2pml h ASP 296 N 0.30 -1.11 -0.32 1.72 3.32 -1.04 -0.67 116.42 118.62 2pml h ASP 296 Ca -0.06 0.11 0.07 0.00 0.02 0.00 0.00 57.03 57.17 2pml h ASP 296 Cb 1.44 0.40 -0.08 0.00 0.22 0.00 0.00 39.33 41.30 2pml h ASP 296 CO 0.15 -0.43 -0.34 0.15 -1.72 0.00 0.00 179.24 177.05 2pml h PHE 297 N -0.61 -0.96 -0.60 4.55 3.57 -1.34 -1.40 116.94 120.16 2pml h PHE 297 Ca -0.02 0.05 0.11 0.00 3.53 0.00 0.00 57.97 61.64 2pml h PHE 297 Cb 0.58 0.47 -0.04 0.00 2.79 0.00 0.00 35.95 39.75 2pml h PHE 297 CO -0.34 -0.40 0.41 1.25 -2.23 0.00 0.00 178.31 176.99 2pml h LEU 298 N -0.31 0.34 -1.44 0.59 5.85 -1.44 -1.52 115.31 117.38 2pml h LEU 298 Ca 0.15 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2pml h LEU 298 Cb 0.55 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 2pml h LEU 298 CO -0.49 0.20 -0.07 0.11 -0.34 0.00 0.00 178.44 177.84 2pml h LYS 299 N 0.37 0.00 0.00 1.25 1.57 0.04 -2.63 116.57 117.17 2pml h LYS 299 Ca 0.28 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.97 2pml h LYS 299 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 2pml h LYS 299 CO -0.07 0.07 -0.42 -0.07 -0.57 0.00 0.00 179.45 178.38 2pml h LEU 300 N 0.00 0.00 -0.29 2.94 3.38 -1.14 -2.97 115.31 117.23 2pml h LEU 300 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 2pml h LEU 300 Cb 0.55 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2pml h LEU 300 CO 0.01 0.42 -0.87 -0.26 0.09 0.00 0.00 178.44 177.84 2pml h PHE 301 N 0.00 0.10 -0.78 1.13 -1.00 -1.55 0.56 116.94 115.39 2pml h PHE 301 Ca -0.00 -0.06 -0.52 0.00 2.81 0.00 0.00 57.97 60.20 2pml h PHE 301 Cb 0.85 -0.01 -0.30 0.00 3.61 0.00 0.00 35.95 40.10 2pml h PHE 301 CO 0.00 0.90 0.11 1.28 -1.61 0.00 0.00 178.31 178.99 2pml n LEU 302 N -3.57 5.98 -4.66 1.54 4.77 -1.13 -4.27 117.00 115.67 2pml n LEU 302 Ca -0.02 -4.27 -0.43 0.00 -0.03 0.00 0.00 56.01 51.26 2pml n LEU 302 Cb 0.81 -0.69 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 2pml n LEU 302 CO 0.46 1.60 1.23 -0.13 -1.33 0.00 0.00 177.39 179.21 2pml s ARG 303 N -3.59 4.21 0.52 3.23 3.00 -1.22 -4.90 118.95 120.20 2pml s ARG 303 Ca 0.56 1.95 0.26 0.00 0.00 0.00 0.00 55.73 58.50 2pml s ARG 303 Cb 0.45 -3.85 1.42 0.00 0.00 0.00 0.00 34.95 32.97 2pml s ARG 303 CO 0.02 -0.76 2.07 0.87 0.00 0.00 0.00 175.30 177.50 2pml h LYS 304 N 8.81 0.00 -5.27 3.54 6.56 -1.94 -3.38 116.57 124.89 2pml h LYS 304 Ca -0.34 0.00 -0.63 0.00 -1.06 0.00 0.00 60.65 58.62 2pml h LYS 304 Cb 1.15 0.00 -0.14 0.00 -0.57 0.00 0.00 32.23 32.67 2pml h LYS 304 CO 0.95 0.12 -0.07 1.21 -2.06 0.00 0.00 179.45 179.60 2pml s ASN 305 N -6.26 6.35 0.36 0.86 3.84 -1.26 -4.42 114.94 114.41 2pml s ASN 305 Ca -0.03 0.28 0.07 0.00 0.21 0.00 0.00 52.86 53.39 2pml s ASN 305 Cb 0.14 -2.26 0.70 0.00 -0.55 0.00 0.00 41.25 39.27 2pml s ASN 305 CO 0.60 -0.33 1.89 1.55 -2.79 0.00 0.00 177.10 178.01 2pml h PRO 306 N 8.21 0.36 0.00 0.43 0.13 -1.97 -2.21 132.00 136.96 2pml h PRO 306 Ca -0.29 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2pml h PRO 306 Cb 1.14 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2pml h PRO 306 CO 0.72 0.46 0.00 0.00 -0.23 0.00 0.00 178.00 178.95 2pml n ALA 307 N -2.48 2.28 0.00 -0.56 0.00 -1.26 -2.44 120.51 116.05 2pml n ALA 307 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2pml n ALA 307 Cb 0.26 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.36 2pml n ALA 307 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2pml n GLU 308 N -1.04 5.84 -1.60 0.00 2.13 -0.88 -5.02 120.64 120.06 2pml n GLU 308 Ca 0.15 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.65 2pml n GLU 308 Cb 0.09 -0.42 0.06 0.00 0.27 0.00 0.00 31.44 31.44 2pml n GLU 308 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2pml s ARG 309 N -0.84 2.60 0.42 5.31 3.52 -0.93 -4.88 118.95 124.14 2pml s ARG 309 Ca 0.00 1.37 -0.25 0.00 -0.13 0.00 0.00 55.73 56.72 2pml s ARG 309 Cb 0.00 -1.93 -0.08 0.00 -1.56 0.00 0.00 34.95 31.38 2pml s ARG 309 CO 0.00 -1.40 1.23 -1.50 -0.81 0.00 0.00 175.30 172.82 2pml s ILE 310 N -2.45 2.87 0.84 4.11 2.07 0.19 -5.04 121.20 123.79 2pml s ILE 310 Ca 0.66 0.73 -0.12 0.00 -1.41 0.00 0.00 60.65 60.51 2pml s ILE 310 Cb -0.20 -3.41 0.10 0.00 0.13 0.00 0.00 42.46 39.07 2pml s ILE 310 CO 0.45 0.07 1.11 -0.89 -1.91 0.00 0.00 174.94 173.78 2pml s THR 311 N -1.36 2.63 0.17 4.00 2.01 -1.26 -4.94 115.64 116.88 2pml s THR 311 Ca 0.59 0.20 0.02 0.00 0.31 0.00 0.00 61.69 62.81 2pml s THR 311 Cb -0.34 -2.95 -0.15 0.00 0.01 0.00 0.00 72.50 69.07 2pml s THR 311 CO 0.43 -0.27 1.38 0.77 -0.69 0.00 0.00 174.62 176.25 2pml h SER 312 N -1.25 0.26 0.80 3.53 4.64 -1.96 -2.92 113.55 116.65 2pml h SER 312 Ca -0.48 -0.21 -0.04 0.00 -0.47 0.00 0.00 61.79 60.59 2pml h SER 312 Cb 1.29 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 63.31 2pml h SER 312 CO 0.60 1.00 -0.39 -0.08 -0.87 0.00 0.00 176.83 177.10 2pml h GLU 313 N 0.11 -1.04 -0.74 4.77 4.81 -1.97 -1.98 114.58 118.54 2pml h GLU 313 Ca -0.04 0.07 0.16 0.00 -0.13 0.00 0.00 59.36 59.41 2pml h GLU 313 Cb 1.49 0.24 -0.11 0.00 0.63 0.00 0.00 28.75 31.00 2pml h GLU 313 CO 0.13 -0.69 0.22 -0.44 -0.73 0.00 0.00 179.01 177.50 2pml h ASP 314 N -1.09 0.10 0.18 1.04 3.45 -1.97 -2.59 116.42 115.54 2pml h ASP 314 Ca -0.11 0.14 0.01 0.00 0.43 0.00 0.00 57.03 57.50 2pml h ASP 314 Cb 0.83 0.16 -0.04 0.00 -0.56 0.00 0.00 39.33 39.72 2pml h ASP 314 CO 0.18 0.00 -0.47 0.00 -1.57 0.00 0.00 179.24 177.38 2pml h ALA 315 N 1.59 -0.89 -0.30 3.45 0.00 -1.41 0.22 119.26 121.92 2pml h ALA 315 Ca 0.42 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.31 2pml h ALA 315 Cb 0.69 0.77 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2pml h ALA 315 CO -0.48 -1.06 0.32 -0.07 0.00 0.00 0.00 179.25 177.95 2pml h LEU 316 N -0.75 0.00 -2.36 0.00 3.38 -0.97 -0.93 115.31 113.68 2pml h LEU 316 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2pml h LEU 316 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2pml h LEU 316 CO -0.23 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.59 2pml n LYS 317 N -3.82 2.11 -2.21 1.13 4.76 -0.96 -4.85 118.16 114.34 2pml n LYS 317 Ca 0.05 -1.85 -0.35 0.00 -2.87 0.00 0.00 58.31 53.28 2pml n LYS 317 Cb 0.47 -1.30 0.01 0.00 -1.84 0.00 0.00 35.03 32.36 2pml n LYS 317 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 2pml s HIS 318 N -1.05 2.63 0.25 2.13 2.46 0.03 -4.94 115.29 116.80 2pml s HIS 318 Ca 0.24 1.53 -0.05 0.00 0.47 0.00 0.00 55.06 57.25 2pml s HIS 318 Cb 0.13 -3.35 0.48 0.00 -0.13 0.00 0.00 32.58 29.72 2pml s HIS 318 CO 0.18 -1.71 1.64 1.49 -2.47 0.00 0.00 174.74 173.88 2pml h GLU 319 N 1.24 0.13 -0.92 2.88 4.57 -1.90 -2.76 114.58 117.83 2pml h GLU 319 Ca -0.50 -0.01 0.19 0.00 -1.18 0.00 0.00 59.36 57.86 2pml h GLU 319 Cb 1.27 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 29.75 2pml h GLU 319 CO 0.57 0.09 0.59 2.35 -1.18 0.00 0.00 179.01 181.43 2pml h TRP 320 N 0.14 0.70 -0.01 0.92 7.01 -1.92 0.97 115.95 123.76 2pml h TRP 320 Ca 0.43 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.46 2pml h TRP 320 Cb 0.78 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 27.63 2pml h TRP 320 CO -0.38 0.20 -0.30 1.28 -2.79 0.00 0.00 178.44 176.45 2pml n LEU 321 N -4.57 1.20 0.02 0.65 4.77 -1.05 -4.38 117.00 113.64 2pml n LEU 321 Ca 0.19 -0.35 0.04 0.00 -0.03 0.00 0.00 56.01 55.87 2pml n LEU 321 Cb 0.62 -0.10 0.20 0.00 -2.33 0.00 0.00 43.42 41.81 2pml n LEU 321 CO 0.29 0.23 0.64 0.00 -1.33 0.00 0.00 177.39 177.21 2pml n ALA 322 N -0.55 1.34 -1.44 -1.18 0.00 0.34 -1.53 120.51 117.50 2pml n ALA 322 Ca 0.12 -0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.62 2pml n ALA 322 Cb 0.37 -1.14 0.19 0.00 0.00 0.00 0.00 19.45 18.86 2pml n ALA 322 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2pml n ASP 323 N -1.58 1.91 -4.66 0.00 3.85 -1.26 -5.03 116.55 109.78 2pml n ASP 323 Ca 0.02 -3.62 -0.42 0.00 -0.71 0.00 0.00 54.79 50.05 2pml n ASP 323 Cb 0.09 -0.49 -0.03 0.00 -1.35 0.00 0.00 41.12 39.34 2pml n ASP 323 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 2pml s THR 324 N -3.09 3.37 -0.35 2.12 2.01 -0.58 -4.97 115.64 114.15 2pml s THR 324 Ca 0.36 0.44 -0.05 0.00 0.31 0.00 0.00 61.69 62.75 2pml s THR 324 Cb 0.34 -3.29 0.06 0.00 0.01 0.00 0.00 72.50 69.61 2pml s THR 324 CO -0.04 -0.05 0.11 0.21 -0.69 0.00 0.00 174.62 174.16 2pml s ASN 325 N 3.95 5.22 0.64 3.53 3.84 -1.26 -4.97 114.94 125.89 2pml s ASN 325 Ca 0.80 -1.38 0.34 0.00 0.21 0.00 0.00 52.86 52.82 2pml s ASN 325 Cb -0.36 -1.83 1.87 0.00 -0.55 0.00 0.00 41.25 40.37 2pml s ASN 325 CO 0.34 -0.37 2.11 0.40 -2.79 0.00 0.00 177.10 176.79 2pml h ILE 326 N 6.28 0.18 0.00 -5.21 5.03 -1.93 -0.19 117.51 121.67 2pml h ILE 326 Ca -0.21 0.00 -0.06 0.00 -0.12 0.00 0.00 64.86 64.47 2pml h ILE 326 Cb 1.07 0.82 -0.01 0.00 -3.03 0.00 0.00 36.82 35.67 2pml h ILE 326 CO 0.62 0.00 -0.29 -0.08 -0.68 0.00 0.00 178.15 177.71 2pml h GLU 327 N 0.00 0.00 -0.64 2.37 4.57 -1.98 -1.97 114.58 116.93 2pml h GLU 327 Ca 0.04 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.18 2pml h GLU 327 Cb 0.43 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.00 2pml h GLU 327 CO -0.00 0.29 0.26 -0.44 -1.18 0.00 0.00 179.01 177.94 2pml h ASP 328 N 0.00 0.88 -0.21 1.04 3.32 -1.38 -1.12 116.42 118.95 2pml h ASP 328 Ca -0.00 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 56.79 2pml h ASP 328 Cb 0.62 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 2pml h ASP 328 CO 0.04 0.81 -0.23 0.25 -1.72 0.00 0.00 179.24 178.39 2pml h LEU 329 N 0.90 0.57 -0.75 1.55 5.85 -1.59 -1.51 115.31 120.32 2pml h LEU 329 Ca 0.21 -0.48 0.01 0.00 0.84 0.00 0.00 57.88 58.46 2pml h LEU 329 Cb 0.20 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 2pml h LEU 329 CO -0.02 0.94 0.50 0.03 -0.34 0.00 0.00 178.44 179.54 2pml h ARG 330 N 0.21 0.98 -0.42 1.25 3.08 -1.30 0.33 114.38 118.52 2pml h ARG 330 Ca 0.03 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 2pml h ARG 330 Cb 0.78 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 2pml h ARG 330 CO 0.06 0.65 -0.15 0.93 -1.07 0.00 0.00 179.97 180.38 2pml h GLU 331 N 1.01 0.84 -0.01 0.04 5.08 -1.22 -2.19 114.58 118.14 2pml h GLU 331 Ca 0.28 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2pml h GLU 331 Cb -0.11 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 2pml h GLU 331 CO -0.06 0.98 0.01 0.35 -1.00 0.00 0.00 179.01 179.28 2pml h PHE 332 N 0.66 0.01 -0.39 4.33 3.57 -0.85 -2.35 116.94 121.93 2pml h PHE 332 Ca 0.10 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 2pml h PHE 332 Cb 0.70 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 2pml h PHE 332 CO 0.05 0.10 0.14 1.03 -2.23 0.00 0.00 178.31 177.40 2pml h SER 333 N -0.08 0.50 -0.42 0.41 0.87 -0.36 -1.09 113.55 113.38 2pml h SER 333 Ca 0.00 -0.05 -0.10 0.00 -1.23 0.00 0.00 61.79 60.41 2pml h SER 333 Cb 0.09 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 2pml h SER 333 CO -0.00 0.47 -0.14 0.50 -0.53 0.00 0.00 176.83 177.13 2pml h LYS 334 N 0.55 0.83 0.03 2.24 3.64 -1.24 -2.13 116.57 120.49 2pml h LYS 334 Ca 0.13 -0.34 -0.22 0.00 -1.27 0.00 0.00 60.65 58.95 2pml h LYS 334 Cb 0.14 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2pml h LYS 334 CO -0.01 0.97 -0.97 0.93 -2.27 0.00 0.00 179.45 178.09 2pml h GLU 335 N 0.65 0.27 -0.20 1.90 4.39 -1.14 -2.67 114.58 117.78 2pml h GLU 335 Ca 0.10 -0.33 -0.00 0.00 0.34 0.00 0.00 59.36 59.47 2pml h GLU 335 Cb 0.69 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 2pml h GLU 335 CO 0.05 1.06 0.11 1.25 -1.16 0.00 0.00 179.01 180.32 2pml h LEU 336 N 0.14 0.24 -1.28 1.33 5.85 -1.20 -1.61 115.31 118.78 2pml h LEU 336 Ca -0.07 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.61 2pml h LEU 336 Cb 1.63 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.56 2pml h LEU 336 CO 0.16 0.24 0.50 0.22 -0.34 0.00 0.00 178.44 179.22 2pml h TYR 337 N 0.22 0.91 0.00 1.25 3.20 -1.37 -0.45 116.97 120.74 2pml h TYR 337 Ca 0.07 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 2pml h TYR 337 Cb 0.05 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.00 2pml h TYR 337 CO -0.04 0.54 -0.25 0.87 -1.64 0.00 0.00 178.16 177.64 2pml h LYS 338 N 0.95 0.00 0.00 1.82 1.57 -1.12 -2.97 116.57 116.82 2pml h LYS 338 Ca 0.30 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.93 2pml h LYS 338 Cb 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 2pml h LYS 338 CO -0.08 0.25 -1.01 0.87 -0.57 0.00 0.00 179.45 178.91 2pml h LYS 339 N 0.00 0.00 0.00 3.15 1.57 -0.16 -3.41 116.57 117.72 2pml h LYS 339 Ca -0.00 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.35 2pml h LYS 339 Cb 0.62 0.00 0.19 0.00 0.08 0.00 0.00 32.23 33.12 2pml h LYS 339 CO 0.03 0.48 0.35 0.54 -0.57 0.00 0.00 179.45 180.28 2pml n ARG 340 N -3.09 -1.81 -0.36 3.15 1.74 -0.37 -3.74 116.66 112.18 2pml n ARG 340 Ca -0.04 -2.02 0.00 0.00 -0.77 0.00 0.00 57.85 55.02 2pml n ARG 340 Cb 0.82 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.79 2pml n ARG 340 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2pml n LYS 341 N -4.15 -1.43 0.00 5.56 -0.00 -1.26 -4.36 118.16 112.52 2pml n LYS 341 Ca 0.17 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.57 2pml n LYS 341 Cb 0.59 -2.77 0.05 0.00 -0.00 0.00 0.00 35.03 32.90 2pml n LYS 341 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2pml n LYS 342 N -0.36 1.63 0.00 -1.58 3.00 -1.25 -5.14 118.16 114.46 2pml n LYS 342 Ca 0.00 -1.38 0.00 0.00 -0.00 0.00 0.00 58.31 56.93 2pml n LYS 342 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 35.03 33.67 2pml n LYS 342 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87