#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iii h HIS 4 N 0.00 0.00 0.00 2.61 2.07 -2.00 -1.59 115.15 116.23 3iii h HIS 4 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3iii h HIS 4 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 3iii h HIS 4 CO 0.00 0.01 0.00 1.28 -3.07 0.00 0.00 177.93 176.15 3iii n LEU 5 N -3.11 0.00 0.04 6.12 4.77 -1.26 -1.23 117.00 122.33 3iii n LEU 5 Ca 0.01 0.25 0.13 0.00 -0.03 0.00 0.00 56.01 56.37 3iii n LEU 5 Cb 0.33 -0.25 0.37 0.00 -2.33 0.00 0.00 43.42 41.55 3iii n LEU 5 CO 0.28 -0.06 0.67 0.18 -1.33 0.00 0.00 177.39 177.13 3iii n LEU 6 N -1.25 0.48 0.00 2.23 4.77 -0.60 -4.28 117.00 118.35 3iii n LEU 6 Ca 0.12 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 3iii n LEU 6 Cb 0.17 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3iii n LEU 6 CO 0.17 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 3iii n GLY 7 N 1.42 -1.20 2.88 -0.72 0.00 -0.37 -4.31 105.19 102.90 3iii n GLY 7 Ca 0.05 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 3iii n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3iii s ASN 8 N -4.00 4.37 0.00 1.61 3.84 -0.32 -4.85 114.94 115.58 3iii s ASN 8 Ca 0.00 -2.06 0.19 0.00 0.21 0.00 0.00 52.86 51.20 3iii s ASN 8 Cb 0.00 -1.29 1.15 0.00 -0.55 0.00 0.00 41.25 40.56 3iii s ASN 8 CO 0.00 -0.37 1.55 -0.81 -2.79 0.00 0.00 177.10 174.68 3iii n PRO 9 N 4.34 0.64 0.13 0.43 -0.04 -1.26 -2.10 135.00 137.14 3iii n PRO 9 Ca 0.02 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.61 3iii n PRO 9 Cb 0.41 -1.47 0.31 0.00 -0.04 0.00 0.00 33.50 32.71 3iii n PRO 9 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3iii h LYS 10 N 0.00 0.00 -6.57 0.54 1.79 -1.96 -3.46 116.57 106.90 3iii h LYS 10 Ca 0.00 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 3iii h LYS 10 Cb 0.00 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3iii h LYS 10 CO 0.00 0.00 -0.10 -0.51 -1.08 0.00 0.00 179.45 177.76 3iii s LEU 11 N -4.95 3.99 -0.07 2.94 1.43 -0.89 -5.08 118.68 116.05 3iii s LEU 11 Ca 0.09 0.75 -0.11 0.00 -1.03 0.00 0.00 54.13 53.82 3iii s LEU 11 Cb 0.10 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.69 3iii s LEU 11 CO 0.63 -0.26 0.28 0.28 0.23 0.00 0.00 176.35 177.51 3iii s THR 12 N -2.20 5.26 0.26 5.49 -1.32 -1.26 -5.03 115.64 116.84 3iii s THR 12 Ca 0.45 0.54 -0.30 0.00 -1.21 0.00 0.00 61.69 61.17 3iii s THR 12 Cb -0.10 -3.57 -0.10 0.00 -1.51 0.00 0.00 72.50 67.22 3iii s THR 12 CO 0.32 0.58 1.40 -0.69 -2.21 0.00 0.00 174.62 174.02 3iii s VAL 13 N -0.90 2.74 0.01 5.08 1.01 -1.26 -4.62 120.40 122.45 3iii s VAL 13 Ca 0.19 0.64 -0.30 0.00 0.00 0.00 0.00 61.98 62.51 3iii s VAL 13 Cb -0.14 -3.41 -0.06 0.00 0.00 0.00 0.00 36.38 32.77 3iii s VAL 13 CO 0.08 0.11 1.46 -0.89 0.00 0.00 0.00 175.10 175.86 3iii s THR 14 N -0.22 3.59 -0.30 3.92 2.01 0.20 -4.95 115.64 119.89 3iii s THR 14 Ca 0.57 0.97 -0.29 0.00 0.31 0.00 0.00 61.69 63.25 3iii s THR 14 Cb -0.41 -3.62 0.01 0.00 0.01 0.00 0.00 72.50 68.49 3iii s THR 14 CO 0.45 -0.01 1.05 -1.00 -0.69 0.00 0.00 174.62 174.42 3iii s HIS 15 N 2.54 3.18 0.33 4.92 3.76 -1.26 -4.90 115.29 123.87 3iii s HIS 15 Ca 0.66 1.21 0.06 0.00 -0.15 0.00 0.00 55.06 56.84 3iii s HIS 15 Cb -0.33 -3.59 0.59 0.00 1.11 0.00 0.00 32.58 30.36 3iii s HIS 15 CO 0.27 -0.71 1.83 -0.24 -0.85 0.00 0.00 174.74 175.04 3iii h VAL 16 N 5.68 1.22 0.00 -0.90 3.04 -1.92 -1.35 116.25 122.01 3iii h VAL 16 Ca -0.20 -1.00 0.00 0.00 -1.01 0.00 0.00 66.70 64.49 3iii h VAL 16 Cb 1.06 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 31.56 3iii h VAL 16 CO 1.01 0.32 0.00 0.59 -1.01 0.00 0.00 177.57 178.48 3iii n ASN 17 N -4.21 0.00 -0.30 3.17 3.02 -1.26 -2.90 115.26 112.78 3iii n ASN 17 Ca 0.00 0.22 0.11 0.00 -0.03 0.00 0.00 54.58 54.87 3iii n ASN 17 Cb 0.32 -0.34 -0.05 0.00 -0.61 0.00 0.00 39.78 39.10 3iii n ASN 17 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3iii n GLU 18 N -1.34 0.80 -2.22 3.52 1.02 -0.51 -4.97 120.64 116.94 3iii n GLU 18 Ca 0.05 -0.61 -0.41 0.00 -0.02 0.00 0.00 57.16 56.17 3iii n GLU 18 Cb 0.10 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.02 3iii n GLU 18 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3iii s VAL 19 N -2.65 2.98 0.40 2.62 1.01 -1.14 -5.04 120.40 118.58 3iii s VAL 19 Ca 0.14 0.95 0.08 0.00 0.00 0.00 0.00 61.98 63.15 3iii s VAL 19 Cb 0.17 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 3iii s VAL 19 CO 0.68 0.21 0.18 -0.54 0.00 0.00 0.00 175.10 175.63 3iii s LYS 20 N -1.38 2.27 0.56 2.72 -0.14 -1.26 -5.09 119.74 117.43 3iii s LYS 20 Ca 0.49 -1.76 -0.21 0.00 -1.36 0.00 0.00 55.97 53.14 3iii s LYS 20 Cb -0.37 -2.05 -0.05 0.00 -1.68 0.00 0.00 37.83 33.68 3iii s LYS 20 CO 0.47 -0.07 1.23 0.00 -0.76 0.00 0.00 175.35 176.22 3iii n ALA 21 N -1.23 1.08 0.00 5.17 0.00 -1.26 -4.58 120.51 119.69 3iii n ALA 21 Ca -0.01 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3iii n ALA 21 Cb 0.64 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.81 3iii n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iii n GLY 22 N 0.94 -1.05 3.67 0.00 0.00 0.23 -4.87 105.19 104.11 3iii n GLY 22 Ca 0.12 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 3iii n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iii s ILE 23 N 0.00 4.94 0.00 -0.61 1.01 -1.26 -0.28 121.20 125.00 3iii s ILE 23 Ca 0.00 1.49 0.06 0.00 0.00 0.00 0.00 60.65 62.20 3iii s ILE 23 Cb 0.00 -4.07 -0.02 0.00 0.01 0.00 0.00 42.46 38.38 3iii s ILE 23 CO 0.00 0.08 -0.19 0.20 0.00 0.00 0.00 174.94 175.04 3iii s ASN 24 N 1.11 2.20 -0.29 3.58 0.01 -1.26 -4.97 114.94 115.32 3iii s ASN 24 Ca 0.36 -0.38 -0.15 0.00 -0.71 0.00 0.00 52.86 51.97 3iii s ASN 24 Cb -0.17 -0.22 -0.03 0.00 0.41 0.00 0.00 41.25 41.24 3iii s ASN 24 CO 0.13 0.20 0.39 -1.00 -1.51 0.00 0.00 177.10 175.31 3iii s HIS 25 N -0.54 3.23 0.32 2.20 3.76 -1.26 -4.27 115.29 118.73 3iii s HIS 25 Ca 0.07 0.32 0.06 0.00 -0.15 0.00 0.00 55.06 55.36 3iii s HIS 25 Cb -0.08 -2.64 -0.06 0.00 1.11 0.00 0.00 32.58 30.92 3iii s HIS 25 CO -0.00 -0.30 -0.02 0.96 -0.85 0.00 0.00 174.74 174.53 3iii s ILE 26 N 2.11 1.64 -0.12 0.60 -4.36 -1.26 -5.01 121.20 114.80 3iii s ILE 26 Ca 0.15 -2.08 0.02 0.00 -0.26 0.00 0.00 60.65 58.48 3iii s ILE 26 Cb -0.16 -2.64 0.01 0.00 1.25 0.00 0.00 42.46 40.92 3iii s ILE 26 CO 0.11 -0.17 -0.17 -0.69 0.24 0.00 0.00 174.94 174.26 3iii s VAL 27 N -3.00 1.65 -0.11 8.37 1.01 -1.26 -4.28 120.40 122.79 3iii s VAL 27 Ca 0.32 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 3iii s VAL 27 Cb 0.06 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 3iii s VAL 27 CO 0.14 0.47 0.08 -0.69 0.00 0.00 0.00 175.10 175.10 3iii s VAL 28 N 0.97 4.97 -1.33 2.92 1.01 0.26 -0.62 120.40 128.58 3iii s VAL 28 Ca -0.06 0.00 -0.16 0.00 0.00 0.00 0.00 61.98 61.77 3iii s VAL 28 Cb -0.15 -3.14 0.08 0.00 0.00 0.00 0.00 36.38 33.18 3iii s VAL 28 CO -0.02 0.61 1.84 -0.90 0.00 0.00 0.00 175.10 176.63 3iii n ASP 29 N 2.07 4.71 -4.75 3.32 5.75 -1.26 -1.41 116.55 124.98 3iii n ASP 29 Ca -0.19 -2.92 -0.41 0.00 -0.01 0.00 0.00 54.79 51.25 3iii n ASP 29 Cb 0.54 -1.68 -0.03 0.00 -1.03 0.00 0.00 41.12 38.93 3iii n ASP 29 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3iii s SER 30 N 3.47 6.84 0.25 -1.12 0.15 -0.65 -4.10 113.70 118.55 3iii s SER 30 Ca 0.49 2.54 -0.01 0.00 0.70 0.00 0.00 55.95 59.67 3iii s SER 30 Cb 0.06 -2.63 0.31 0.00 -1.71 0.00 0.00 66.02 62.06 3iii s SER 30 CO 0.02 -0.53 1.71 0.58 1.20 0.00 0.00 173.24 176.22 3iii h VAL 31 N 3.40 1.26 0.02 4.45 2.07 -1.85 -3.11 116.25 122.49 3iii h VAL 31 Ca -0.47 -1.18 -0.36 0.00 0.82 0.00 0.00 66.70 65.51 3iii h VAL 31 Cb 1.22 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 32.05 3iii h VAL 31 CO 0.72 0.40 -2.21 0.00 0.02 0.00 0.00 177.57 176.49 3iii n GLN 32 N -4.16 0.68 -0.31 1.57 3.00 -1.26 -4.74 117.38 112.16 3iii n GLN 32 Ca 0.01 0.15 0.07 0.00 -0.01 0.00 0.00 57.00 57.21 3iii n GLN 32 Cb 0.37 -1.61 0.10 0.00 0.00 0.00 0.00 30.24 29.11 3iii n GLN 32 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3iii n TYR 33 N -3.09 0.00 -4.67 1.08 4.01 -1.25 -4.95 117.16 108.29 3iii n TYR 33 Ca -0.34 -0.76 0.00 0.00 -0.16 0.00 0.00 57.90 56.64 3iii n TYR 33 Cb 1.07 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.96 3iii n TYR 33 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iii n GLY 34 N -0.93 0.52 3.63 2.72 0.00 -1.17 -2.90 105.19 107.05 3iii n GLY 34 Ca 0.12 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 3iii n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3iii s ASN 35 N -4.00 6.67 -0.22 1.61 0.01 -1.26 -1.64 114.94 116.12 3iii s ASN 35 Ca 0.00 1.14 0.02 0.00 -0.71 0.00 0.00 52.86 53.30 3iii s ASN 35 Cb 0.00 -2.54 0.04 0.00 0.41 0.00 0.00 41.25 39.16 3iii s ASN 35 CO 0.00 -1.09 -0.15 -1.10 -1.51 0.00 0.00 177.10 173.24 3iii s GLN 36 N 4.19 2.68 0.43 -0.60 -1.52 -0.50 -1.18 119.66 123.17 3iii s GLN 36 Ca 0.55 -1.05 -0.22 0.00 -1.95 0.00 0.00 55.36 52.69 3iii s GLN 36 Cb -0.16 -2.72 -0.09 0.00 -0.22 0.00 0.00 33.01 29.82 3iii s GLN 36 CO 0.23 -0.37 1.03 -1.83 -0.25 0.00 0.00 175.29 174.11 3iii s GLU 37 N 1.22 4.04 0.00 2.91 4.04 -1.26 -0.57 118.70 129.07 3iii s GLU 37 Ca -0.01 1.41 0.00 0.00 0.04 0.00 0.00 54.97 56.41 3iii s GLU 37 Cb -0.16 -2.34 0.00 0.00 0.02 0.00 0.00 34.13 31.65 3iii s GLU 37 CO -0.09 -0.24 0.00 -0.89 -1.84 0.00 0.00 175.26 172.20 3iii n ILE 39 N -0.46 0.00 -3.46 1.83 5.41 -0.11 -4.65 119.36 117.93 3iii n ILE 39 Ca 0.07 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.83 3iii n ILE 39 Cb 0.51 -0.97 -0.03 0.00 -0.71 0.00 0.00 39.64 38.44 3iii n ILE 39 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 3iii s GLU 41 N -1.63 0.52 -0.12 0.38 2.02 0.14 -1.06 118.70 118.95 3iii s GLU 41 Ca 0.00 1.19 -0.04 0.00 0.02 0.00 0.00 54.97 56.14 3iii s GLU 41 Cb 0.00 0.70 -0.04 0.00 0.10 0.00 0.00 34.13 34.90 3iii s GLU 41 CO 0.00 -0.30 0.04 0.21 0.02 0.00 0.00 175.26 175.22 3iii s LYS 42 N 2.83 3.35 -1.34 1.61 2.20 0.61 -1.06 119.74 127.95 3iii s LYS 42 Ca 0.02 -0.35 0.00 0.00 -0.36 0.00 0.00 55.97 55.28 3iii s LYS 42 Cb -0.12 -2.97 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 3iii s LYS 42 CO -0.19 0.58 0.00 -0.25 -0.36 0.00 0.00 175.35 175.13 3iii n ASP 43 N 2.55 -4.62 -4.70 1.43 8.00 -0.76 -0.60 116.55 117.86 3iii n ASP 43 Ca -0.18 0.03 -0.33 0.00 0.71 0.00 0.00 54.79 55.01 3iii n ASP 43 Cb 0.53 -3.72 0.13 0.00 -0.02 0.00 0.00 41.12 38.04 3iii n ASP 43 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3iii s GLY 44 N -2.37 2.18 0.10 0.44 0.00 -0.90 -4.74 107.32 102.02 3iii s GLY 44 Ca 0.00 0.85 0.09 0.00 0.00 0.00 0.00 44.72 45.66 3iii s GLY 44 CO 0.00 1.27 -0.23 -0.51 0.00 0.00 0.00 173.10 173.64 3iii s THR 45 N -2.13 1.86 -0.06 0.90 -4.23 -1.26 -0.69 115.64 110.03 3iii s THR 45 Ca 0.73 -1.56 0.05 0.00 -1.18 0.00 0.00 61.69 59.74 3iii s THR 45 Cb -0.29 -1.67 -0.01 0.00 1.34 0.00 0.00 72.50 71.88 3iii s THR 45 CO 0.50 0.02 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.70 3iii s VAL 46 N -1.09 1.78 0.50 2.29 1.01 0.27 -4.95 120.40 120.21 3iii s VAL 46 Ca 0.09 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.21 3iii s VAL 46 Cb -0.10 -1.52 0.09 0.00 0.00 0.00 0.00 36.38 34.85 3iii s VAL 46 CO 0.04 0.50 0.69 1.21 0.00 0.00 0.00 175.10 177.54 3iii n GLU 47 N 3.12 0.48 0.04 2.72 2.13 -1.26 -0.98 120.64 126.89 3iii n GLU 47 Ca -0.18 -2.39 -0.16 0.00 0.66 0.00 0.00 57.16 55.09 3iii n GLU 47 Cb 0.52 -0.30 -0.14 0.00 0.27 0.00 0.00 31.44 31.80 3iii n GLU 47 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3iii h ARG 49 N 0.00 0.20 -0.04 5.31 3.08 -1.98 -3.47 114.38 117.48 3iii h ARG 49 Ca -0.23 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.47 3iii h ARG 49 Cb 0.99 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.17 3iii h ARG 49 CO 0.30 1.02 0.00 -0.40 -1.07 0.00 0.00 179.97 179.82 3iii n ASP 50 N -3.39 0.53 0.00 7.04 5.75 -1.26 -4.90 116.55 120.33 3iii n ASP 50 Ca -0.19 -1.44 0.00 0.00 -0.01 0.00 0.00 54.79 53.15 3iii n ASP 50 Cb 1.04 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 41.11 3iii n ASP 50 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3iii n GLY 51 N 0.93 1.45 3.77 6.12 0.00 -1.26 -5.06 105.19 111.15 3iii n GLY 51 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3iii n GLY 51 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3iii s GLU 52 N -0.75 4.13 -0.13 1.61 2.56 -1.26 -4.97 118.70 119.89 3iii s GLU 52 Ca 0.00 2.55 -0.14 0.00 0.00 0.00 0.00 54.97 57.38 3iii s GLU 52 Cb 0.00 -2.99 -0.05 0.00 2.00 0.00 0.00 34.13 33.09 3iii s GLU 52 CO 0.00 -0.54 0.32 0.15 -0.56 0.00 0.00 175.26 174.63 3iii s LYS 53 N -1.62 4.17 -0.07 4.30 1.02 -1.26 -4.40 119.74 121.88 3iii s LYS 53 Ca 0.55 0.16 -0.02 0.00 0.02 0.00 0.00 55.97 56.68 3iii s LYS 53 Cb -0.46 -3.39 -0.03 0.00 -0.52 0.00 0.00 37.83 33.43 3iii s LYS 53 CO 0.58 0.32 0.02 -0.51 -0.92 0.00 0.00 175.35 174.84 3iii s LEU 54 N 0.20 3.68 -0.14 3.17 1.02 -0.16 -4.56 118.68 121.90 3iii s LEU 54 Ca 0.18 0.15 -0.07 0.00 0.02 0.00 0.00 54.13 54.41 3iii s LEU 54 Cb -0.14 -1.92 -0.04 0.00 0.02 0.00 0.00 46.19 44.12 3iii s LEU 54 CO 0.06 0.36 0.13 -0.31 0.02 0.00 0.00 176.35 176.60 3iii s TYR 55 N -0.96 3.53 0.15 0.29 2.02 -1.25 -0.57 117.35 120.57 3iii s TYR 55 Ca 0.15 0.46 0.00 0.00 -0.37 0.00 0.00 57.07 57.32 3iii s TYR 55 Cb -0.11 -1.98 -0.04 0.00 -0.40 0.00 0.00 41.96 39.42 3iii s TYR 55 CO 0.05 0.62 0.03 0.96 -1.57 0.00 0.00 175.55 175.64 3iii s ILE 56 N -0.71 0.34 0.06 2.71 -4.36 0.13 -1.06 121.20 118.32 3iii s ILE 56 Ca 0.13 -1.94 0.09 0.00 -0.26 0.00 0.00 60.65 58.67 3iii s ILE 56 Cb -0.12 -2.07 -0.03 0.00 1.25 0.00 0.00 42.46 41.49 3iii s ILE 56 CO 0.03 -0.47 -0.23 0.20 0.24 0.00 0.00 174.94 174.70 3iii s ASN 57 N -3.10 3.44 -0.15 4.36 0.01 -0.32 -1.83 114.94 117.35 3iii s ASN 57 Ca 0.24 -0.56 0.01 0.00 -0.71 0.00 0.00 52.86 51.84 3iii s ASN 57 Cb 0.07 -0.40 0.02 0.00 0.41 0.00 0.00 41.25 41.35 3iii s ASN 57 CO 0.03 0.24 -0.16 -0.63 -1.51 0.00 0.00 177.10 175.06 3iii s ILE 58 N -0.91 1.71 -0.19 0.60 1.01 -0.22 -0.54 121.20 122.67 3iii s ILE 58 Ca 0.13 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 60.00 3iii s ILE 58 Cb -0.10 -1.58 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 3iii s ILE 58 CO 0.04 0.48 0.00 -0.36 0.00 0.00 0.00 174.94 175.11 3iii s PHE 59 N 1.29 3.07 0.06 3.97 0.08 0.75 -0.68 117.98 126.51 3iii s PHE 59 Ca 0.02 -0.33 -0.10 0.00 0.12 0.00 0.00 56.93 56.63 3iii s PHE 59 Cb -0.13 -2.06 0.01 0.00 -0.57 0.00 0.00 43.02 40.26 3iii s PHE 59 CO -0.09 -0.13 0.22 -0.98 -0.10 0.00 0.00 175.22 174.14 3iii s ARG 60 N 0.77 0.78 0.38 0.44 1.70 -0.22 -0.62 118.95 122.19 3iii s ARG 60 Ca 0.00 -0.73 -0.28 0.00 -0.47 0.00 0.00 55.73 54.26 3iii s ARG 60 Cb -0.14 0.33 -0.11 0.00 -0.57 0.00 0.00 34.95 34.46 3iii s ARG 60 CO 0.02 -0.24 1.48 -2.30 -1.08 0.00 0.00 175.30 173.17 3iii n PRO 61 N 0.36 2.62 -1.62 3.89 -0.02 -1.26 -0.94 135.00 138.03 3iii n PRO 61 Ca -0.17 0.92 -0.42 0.00 -2.02 0.00 0.00 63.50 61.81 3iii n PRO 61 Cb 0.60 -2.65 -0.01 0.00 -0.02 0.00 0.00 33.50 31.42 3iii n PRO 61 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3iii n ASN 62 N 0.41 4.07 -3.50 2.55 5.15 -1.26 -4.63 115.26 118.05 3iii n ASN 62 Ca 0.02 -2.80 -0.11 0.00 -0.60 0.00 0.00 54.58 51.08 3iii n ASN 62 Cb 0.39 -1.58 -0.03 0.00 -0.53 0.00 0.00 39.78 38.02 3iii n ASN 62 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 3iii s LYS 63 N 3.33 0.91 0.74 1.20 -2.85 -1.26 -5.03 119.74 116.78 3iii s LYS 63 Ca 0.50 -0.14 -0.15 0.00 -1.00 0.00 0.00 55.97 55.18 3iii s LYS 63 Cb 0.14 0.43 0.04 0.00 -2.06 0.00 0.00 37.83 36.38 3iii s LYS 63 CO -0.06 -0.36 1.23 -0.51 0.10 0.00 0.00 175.35 175.75 3iii s ASP 64 N -2.00 4.09 0.00 0.03 1.01 -1.26 -4.97 116.67 113.57 3iii s ASP 64 Ca -0.00 2.43 0.00 0.00 0.71 0.00 0.00 52.55 55.69 3iii s ASP 64 Cb -0.01 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.33 3iii s ASP 64 CO -0.04 -2.34 0.00 0.61 0.21 0.00 0.00 175.17 173.61 3iii n GLY 65 N 0.56 2.23 3.36 0.21 0.00 -1.26 -5.09 105.19 105.21 3iii n GLY 65 Ca 0.14 -1.92 -0.33 0.00 0.00 0.00 0.00 46.02 43.92 3iii n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iii s LYS 66 N -1.60 3.12 0.10 1.61 1.02 -1.26 -4.30 119.74 118.43 3iii s LYS 66 Ca 0.00 -0.73 0.06 0.00 0.02 0.00 0.00 55.97 55.32 3iii s LYS 66 Cb 0.00 -2.51 -0.03 0.00 -0.52 0.00 0.00 37.83 34.77 3iii s LYS 66 CO 0.00 0.30 -0.14 -0.06 -0.92 0.00 0.00 175.35 174.53 3iii s PHE 67 N 0.11 1.32 0.64 3.18 0.08 0.29 -4.55 117.98 119.06 3iii s PHE 67 Ca -0.07 -0.53 -0.17 0.00 0.12 0.00 0.00 56.93 56.27 3iii s PHE 67 Cb -0.15 -0.71 -0.01 0.00 -0.57 0.00 0.00 43.02 41.58 3iii s PHE 67 CO 0.05 0.10 1.20 -1.25 -0.10 0.00 0.00 175.22 175.22 3iii s PRO 68 N -2.36 2.72 -0.15 0.24 0.04 -1.26 -0.79 135.00 133.43 3iii s PRO 68 Ca 0.05 1.75 0.01 0.00 0.04 0.00 0.00 61.00 62.85 3iii s PRO 68 Cb -0.06 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.57 3iii s PRO 68 CO 0.03 -1.39 -0.16 0.08 0.04 0.00 0.00 177.00 175.59 3iii s VAL 69 N -1.79 2.56 0.37 -0.36 1.01 -0.67 -0.49 120.40 121.03 3iii s VAL 69 Ca 0.75 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 62.00 3iii s VAL 69 Cb -0.29 -2.07 -0.00 0.00 0.00 0.00 0.00 36.38 34.02 3iii s VAL 69 CO 0.37 0.52 0.51 -0.69 0.00 0.00 0.00 175.10 175.82 3iii s VAL 70 N 0.83 3.57 -0.14 2.92 1.01 0.35 -0.87 120.40 128.07 3iii s VAL 70 Ca -0.05 -1.01 -0.31 0.00 0.00 0.00 0.00 61.98 60.61 3iii s VAL 70 Cb -0.15 -3.22 0.13 0.00 0.00 0.00 0.00 36.38 33.14 3iii s VAL 70 CO -0.01 -0.09 1.08 -0.94 0.00 0.00 0.00 175.10 175.15 3iii s SER 72 N -4.25 -0.25 -0.10 3.32 1.04 -1.01 -0.69 113.70 111.77 3iii s SER 72 Ca 0.49 0.12 -0.08 0.00 0.48 0.00 0.00 55.95 56.96 3iii s SER 72 Cb -0.10 0.24 0.03 0.00 0.10 0.00 0.00 66.02 66.29 3iii s SER 72 CO 0.32 -0.34 0.26 0.00 0.98 0.00 0.00 173.24 174.46 3iii s ALA 73 N -2.05 -0.63 0.39 5.32 0.00 -1.26 -0.96 121.76 122.56 3iii s ALA 73 Ca 0.05 0.78 -0.15 0.00 0.00 0.00 0.00 51.96 52.64 3iii s ALA 73 Cb -0.01 -0.47 0.06 0.00 0.00 0.00 0.00 23.12 22.71 3iii s ALA 73 CO -0.04 -0.14 0.81 0.16 0.00 0.00 0.00 175.76 176.55 3iii s ASP 74 N 0.34 0.04 -0.19 0.00 1.47 -1.12 -4.36 116.67 112.85 3iii s ASP 74 Ca -0.02 -1.19 0.16 0.00 1.18 0.00 0.00 52.55 52.68 3iii s ASP 74 Cb -0.03 0.85 0.49 0.00 -0.34 0.00 0.00 42.92 43.89 3iii s ASP 74 CO -0.01 -1.71 1.38 0.35 0.68 0.00 0.00 175.17 175.86 3iii n THR 75 N -0.55 2.26 0.91 2.11 -2.24 -1.26 -1.29 114.28 114.22 3iii n THR 75 Ca -0.09 -2.06 0.12 0.00 -2.27 0.00 0.00 64.05 59.76 3iii n THR 75 Cb 0.60 -0.26 0.27 0.00 -2.10 0.00 0.00 70.33 68.83 3iii n THR 75 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3iii n TYR 76 N -0.74 0.11 0.00 4.78 4.01 -1.26 -4.82 117.16 119.24 3iii n TYR 76 Ca 0.22 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.99 3iii n TYR 76 Cb 0.87 -0.36 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 3iii n TYR 76 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iii n GLY 77 N 1.47 2.53 0.20 2.72 0.00 -1.26 -4.90 105.19 105.94 3iii n GLY 77 Ca 0.05 -1.01 0.14 0.00 0.00 0.00 0.00 46.02 45.20 3iii n GLY 77 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3iii h LYS 78 N 0.00 0.00 -0.33 1.61 2.10 -1.91 -3.24 116.57 114.79 3iii h LYS 78 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3iii h LYS 78 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3iii h LYS 78 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 3iii n ASP 79 N -2.82 3.86 -4.67 7.07 8.00 -1.26 -4.81 116.55 121.92 3iii n ASP 79 Ca 0.03 -2.73 -0.43 0.00 0.71 0.00 0.00 54.79 52.38 3iii n ASP 79 Cb 0.40 -0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 3iii n ASP 79 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3iii n ASN 80 N -0.06 4.09 -4.68 -2.24 3.02 -1.23 -4.96 115.26 109.21 3iii n ASN 80 Ca 0.20 0.94 -0.42 0.00 -0.03 0.00 0.00 54.58 55.26 3iii n ASN 80 Cb 0.80 -1.53 -0.03 0.00 -0.61 0.00 0.00 39.78 38.42 3iii n ASN 80 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3iii s LYS 81 N 3.82 4.32 0.39 3.52 2.20 -1.26 -3.55 119.74 129.18 3iii s LYS 81 Ca 0.87 1.70 -0.27 0.00 -0.36 0.00 0.00 55.97 57.90 3iii s LYS 81 Cb -0.46 -3.60 -0.11 0.00 -1.51 0.00 0.00 37.83 32.14 3iii s LYS 81 CO 0.41 -0.51 1.42 -0.35 -0.36 0.00 0.00 175.35 175.95 3iii n PRO 82 N 5.51 2.42 -1.49 4.03 -0.04 -1.26 -4.97 135.00 139.20 3iii n PRO 82 Ca 0.12 0.85 -0.27 0.00 -0.04 0.00 0.00 63.50 64.16 3iii n PRO 82 Cb 0.46 -2.56 0.20 0.00 -0.04 0.00 0.00 33.50 31.56 3iii n PRO 82 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3iii n LYS 83 N 0.33 -1.73 0.00 0.54 5.02 -1.26 -5.09 118.16 115.97 3iii n LYS 83 Ca 0.03 -1.79 0.00 0.00 -2.02 0.00 0.00 58.31 54.53 3iii n LYS 83 Cb 0.39 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 34.07 3iii n LYS 83 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3iii n ASN 86 N -4.07 0.00 0.00 4.39 5.15 -1.26 -5.18 115.26 114.29 3iii n ASN 86 Ca 0.15 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.13 3iii n ASN 86 Cb 0.53 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.78 3iii n ASN 86 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3iii n GLY 88 N 0.00 0.00 0.08 8.20 0.00 -1.26 -1.65 105.19 110.57 3iii n GLY 88 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3iii n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iii n ALA 89 N 0.00 1.50 -0.01 4.61 0.00 -1.26 -3.76 120.51 121.59 3iii n ALA 89 Ca 0.00 -0.87 -0.09 0.00 0.00 0.00 0.00 53.44 52.48 3iii n ALA 89 Cb 0.00 -0.73 -0.14 0.00 0.00 0.00 0.00 19.45 18.58 3iii n ALA 89 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3iii h LEU 90 N 0.00 0.02 -5.96 0.00 3.38 -1.74 -3.40 115.31 107.61 3iii h LEU 90 Ca -0.33 -0.05 -0.50 0.00 0.09 0.00 0.00 57.88 57.09 3iii h LEU 90 Cb 2.06 -0.01 -0.34 0.00 0.09 0.00 0.00 40.66 42.46 3iii h LEU 90 CO 0.07 1.04 -0.95 1.87 0.09 0.00 0.00 178.44 180.56 3iii n TRP 91 N -3.10 -1.19 0.28 1.13 -0.00 -1.26 -4.79 117.44 108.51 3iii n TRP 91 Ca -0.16 -3.09 0.17 0.00 -0.00 0.00 0.00 57.50 54.41 3iii n TRP 91 Cb 1.04 0.24 0.75 0.00 -0.00 0.00 0.00 31.31 33.34 3iii n TRP 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 3iii h PRO 92 N 4.74 0.00 -0.28 5.87 0.13 -1.79 -3.03 132.00 137.63 3iii h PRO 92 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3iii h PRO 92 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 3iii h PRO 92 CO 0.37 0.05 0.00 0.25 -0.23 0.00 0.00 178.00 178.44 3iii n THR 93 N -3.21 0.37 0.30 1.56 -2.24 -1.26 -4.17 114.28 105.62 3iii n THR 93 Ca -0.00 -0.49 0.17 0.00 -2.27 0.00 0.00 64.05 61.46 3iii n THR 93 Cb 0.28 0.47 0.91 0.00 -2.10 0.00 0.00 70.33 69.88 3iii n THR 93 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3iii h LEU 94 N 2.75 0.00 0.00 3.22 3.38 -1.82 -3.47 115.31 119.38 3iii h LEU 94 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iii h LEU 94 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3iii h LEU 94 CO 0.00 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.18 3iii n GLY 95 N -0.77 -1.80 3.56 0.83 0.00 -1.26 -4.47 105.19 101.28 3iii n GLY 95 Ca -0.02 -1.67 -0.38 0.00 0.00 0.00 0.00 46.02 43.95 3iii n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iii s THR 96 N 0.00 5.17 -0.50 2.61 2.01 -1.26 -4.98 115.64 118.69 3iii s THR 96 Ca 0.00 0.07 0.03 0.00 0.31 0.00 0.00 61.69 62.10 3iii s THR 96 Cb 0.00 -3.49 0.15 0.00 0.01 0.00 0.00 72.50 69.18 3iii s THR 96 CO 0.00 0.22 0.33 -0.63 -0.69 0.00 0.00 174.62 173.85 3iii s ILE 97 N 1.73 1.56 -0.22 1.82 1.01 -1.26 -4.40 121.20 121.44 3iii s ILE 97 Ca 0.07 -3.04 -0.21 0.00 0.00 0.00 0.00 60.65 57.47 3iii s ILE 97 Cb -0.16 -2.06 -0.02 0.00 0.01 0.00 0.00 42.46 40.22 3iii s ILE 97 CO 0.10 -1.00 0.64 -2.16 0.00 0.00 0.00 174.94 172.51 3iii s PRO 98 N -0.20 4.17 0.08 2.79 0.04 -1.26 -5.04 135.00 135.58 3iii s PRO 98 Ca 0.23 0.60 -0.06 0.00 0.04 0.00 0.00 61.00 61.81 3iii s PRO 98 Cb -0.13 -3.61 -0.02 0.00 0.04 0.00 0.00 34.50 30.79 3iii s PRO 98 CO -0.09 -0.33 0.12 0.95 0.04 0.00 0.00 177.00 177.70 3iii s THR 99 N 2.22 0.16 0.97 1.26 -4.23 -1.26 -4.96 115.64 109.79 3iii s THR 99 Ca 0.28 -1.42 -0.12 0.00 -1.18 0.00 0.00 61.69 59.25 3iii s THR 99 Cb -0.16 -1.47 0.17 0.00 1.34 0.00 0.00 72.50 72.39 3iii s THR 99 CO 0.09 -0.72 1.08 -0.94 -0.54 0.00 0.00 174.62 173.60 3iii s SER 100 N -2.90 2.77 0.00 3.99 1.04 -1.26 -4.84 113.70 112.51 3iii s SER 100 Ca 0.07 1.51 0.19 0.00 0.48 0.00 0.00 55.95 58.21 3iii s SER 100 Cb 0.06 -2.18 1.06 0.00 0.10 0.00 0.00 66.02 65.05 3iii s SER 100 CO -0.09 -3.08 1.56 -1.54 0.98 0.00 0.00 173.24 171.06 3iii n SER 101 N -4.18 0.00 -1.57 7.02 3.41 -1.26 -2.96 113.62 114.08 3iii n SER 101 Ca 0.06 -0.32 -0.10 0.00 -0.26 0.00 0.00 58.87 58.26 3iii n SER 101 Cb 0.55 -0.13 0.21 0.00 -0.26 0.00 0.00 64.21 64.58 3iii n SER 101 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3iii n PHE 102 N -1.13 1.86 -3.86 7.33 3.72 -1.26 -4.52 117.46 119.60 3iii n PHE 102 Ca 0.12 -1.57 -0.30 0.00 -0.05 0.00 0.00 57.45 55.65 3iii n PHE 102 Cb 0.10 -0.64 -0.14 0.00 -0.94 0.00 0.00 39.48 37.86 3iii n PHE 102 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3iii s THR 103 N -3.20 1.77 0.56 4.37 2.01 -1.15 -4.53 115.64 115.47 3iii s THR 103 Ca 0.50 -2.35 -0.21 0.00 0.31 0.00 0.00 61.69 59.94 3iii s THR 103 Cb 0.43 -2.28 -0.05 0.00 0.01 0.00 0.00 72.50 70.60 3iii s THR 103 CO 0.06 -0.73 1.15 -2.65 -0.69 0.00 0.00 174.62 171.75 3iii n PRO 104 N 4.00 1.29 -1.64 4.92 -0.02 -1.23 -4.11 135.00 138.21 3iii n PRO 104 Ca 0.04 0.48 -0.51 0.00 -2.02 0.00 0.00 63.50 61.49 3iii n PRO 104 Cb 0.38 -2.33 -0.06 0.00 -0.02 0.00 0.00 33.50 31.47 3iii n PRO 104 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3iii n GLU 105 N -0.91 1.54 -0.23 -0.52 4.71 -1.26 -1.46 120.64 122.51 3iii n GLU 105 Ca 0.12 0.56 0.00 0.00 -0.01 0.00 0.00 57.16 57.83 3iii n GLU 105 Cb 0.45 -2.26 0.00 0.00 -1.01 0.00 0.00 31.44 28.62 3iii n GLU 105 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3iii n GLU 106 N 3.74 0.00 -2.91 3.49 1.02 -1.26 -4.96 120.64 119.76 3iii n GLU 106 Ca 0.20 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 57.04 3iii n GLU 106 Cb 0.22 -1.08 -0.03 0.00 -0.02 0.00 0.00 31.44 30.53 3iii n GLU 106 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3iii s SER 107 N -3.08 6.49 0.27 1.62 0.01 -0.53 -1.88 113.70 116.59 3iii s SER 107 Ca 0.00 1.06 -0.31 0.00 1.31 0.00 0.00 55.95 58.01 3iii s SER 107 Cb 0.00 -2.29 -0.12 0.00 0.21 0.00 0.00 66.02 63.82 3iii s SER 107 CO 0.00 -0.38 1.65 -2.84 0.41 0.00 0.00 173.24 172.08 3iii s PRO 108 N -3.86 4.11 -0.30 12.44 0.02 -1.26 -4.89 135.00 141.26 3iii s PRO 108 Ca 0.50 2.61 -0.23 0.00 0.02 0.00 0.00 61.00 63.91 3iii s PRO 108 Cb -0.10 -3.03 -0.00 0.00 0.02 0.00 0.00 34.50 31.38 3iii s PRO 108 CO 0.32 -0.69 0.75 0.34 -0.33 0.00 0.00 177.00 177.39 3iii s ASP 109 N 0.73 6.63 0.63 2.53 -1.08 -1.26 -4.90 116.67 119.94 3iii s ASP 109 Ca 0.67 0.62 0.39 0.00 -0.52 0.00 0.00 52.55 53.72 3iii s ASP 109 Cb -0.49 -2.39 2.13 0.00 -1.46 0.00 0.00 42.92 40.71 3iii s ASP 109 CO 0.43 -0.57 2.29 1.55 0.52 0.00 0.00 175.17 179.39 3iii h PRO 110 N 8.11 0.00 0.00 4.34 0.13 -1.93 -0.86 132.00 141.80 3iii h PRO 110 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3iii h PRO 110 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3iii h PRO 110 CO 0.86 0.01 0.00 0.78 -0.23 0.00 0.00 178.00 179.42 3iii h GLY 111 N 0.26 0.00 0.04 1.56 0.00 -1.92 -1.14 103.07 101.87 3iii h GLY 111 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.93 3iii h GLY 111 CO 0.00 0.00 -2.26 0.33 0.00 0.00 0.00 176.54 174.61 3iii n PHE 112 N -2.45 0.28 0.05 5.60 7.35 -0.39 -4.59 117.46 123.31 3iii n PHE 112 Ca 0.02 0.10 -0.20 0.00 -0.76 0.00 0.00 57.45 56.61 3iii n PHE 112 Cb 0.24 -1.03 -0.14 0.00 0.35 0.00 0.00 39.48 38.90 3iii n PHE 112 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 3iii h TRP 113 N -0.74 0.60 -0.71 -5.13 4.06 -1.36 -3.31 115.95 109.36 3iii h TRP 113 Ca -0.60 -0.41 -0.05 0.00 2.06 0.00 0.00 58.89 59.88 3iii h TRP 113 Cb 1.64 -0.03 -0.03 0.00 -1.00 0.00 0.00 29.16 29.74 3iii h TRP 113 CO -0.02 1.30 0.24 0.28 -3.56 0.00 0.00 178.44 176.68 3iii h VAL 114 N -0.28 1.25 0.00 1.49 2.07 -1.34 -1.36 116.25 118.08 3iii h VAL 114 Ca -0.14 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.52 3iii h VAL 114 Cb 1.63 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 3iii h VAL 114 CO 0.16 0.34 0.00 -0.65 0.02 0.00 0.00 177.57 177.44 3iii h PRO 115 N 1.05 0.00 -0.74 1.57 0.11 -1.73 -0.73 132.00 131.54 3iii h PRO 115 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 3iii h PRO 115 Cb 0.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.39 3iii h PRO 115 CO -0.01 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.87 3iii n ASN 116 N -3.08 3.01 -3.37 -2.05 4.13 -0.53 -4.90 115.26 108.47 3iii n ASN 116 Ca -0.01 -2.37 -0.17 0.00 1.68 0.00 0.00 54.58 53.71 3iii n ASN 116 Cb 0.21 -0.54 0.09 0.00 -1.54 0.00 0.00 39.78 38.00 3iii n ASN 116 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3iii n ASP 117 N 0.32 -2.44 -4.54 6.41 8.00 -0.28 -5.04 116.55 118.97 3iii n ASP 117 Ca 0.13 -0.59 -0.26 0.00 0.71 0.00 0.00 54.79 54.77 3iii n ASP 117 Cb 0.63 -4.98 -0.10 0.00 -0.02 0.00 0.00 41.12 36.66 3iii n ASP 117 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3iii s TYR 118 N -3.35 2.53 0.00 1.24 2.02 -1.10 -4.39 117.35 114.31 3iii s TYR 118 Ca 0.05 -0.26 -0.11 0.00 -0.37 0.00 0.00 57.07 56.38 3iii s TYR 118 Cb -0.02 -1.20 -0.05 0.00 -0.40 0.00 0.00 41.96 40.28 3iii s TYR 118 CO 0.71 0.55 0.34 0.08 -1.57 0.00 0.00 175.55 175.66 3iii s VAL 119 N -1.90 5.16 -0.16 0.71 1.01 0.35 -4.03 120.40 121.55 3iii s VAL 119 Ca 0.26 0.54 -0.01 0.00 0.00 0.00 0.00 61.98 62.77 3iii s VAL 119 Cb -0.08 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 3iii s VAL 119 CO 0.15 0.48 -0.12 -0.69 0.00 0.00 0.00 175.10 174.92 3iii s VAL 120 N -1.19 3.00 -0.13 2.92 1.01 0.21 -0.50 120.40 125.72 3iii s VAL 120 Ca 0.25 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.58 3iii s VAL 120 Cb -0.15 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 3iii s VAL 120 CO 0.13 0.50 -0.14 -0.69 0.00 0.00 0.00 175.10 174.90 3iii s VAL 121 N 0.77 2.90 -0.21 2.92 1.01 0.14 -0.18 120.40 127.76 3iii s VAL 121 Ca -0.05 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 3iii s VAL 121 Cb -0.15 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 3iii s VAL 121 CO 0.01 0.52 -0.07 -0.75 0.00 0.00 0.00 175.10 174.82 3iii s LYS 122 N 0.44 3.33 -0.18 2.72 2.47 0.29 -2.40 119.74 126.42 3iii s LYS 122 Ca -0.11 -0.65 -0.05 0.00 -1.56 0.00 0.00 55.97 53.61 3iii s LYS 122 Cb -0.16 -2.93 -0.03 0.00 -1.46 0.00 0.00 37.83 33.25 3iii s LYS 122 CO 0.05 -0.17 -0.01 0.08 0.16 0.00 0.00 175.35 175.46 3iii s VAL 123 N 1.37 3.96 -0.41 4.02 1.01 -0.14 -1.18 120.40 129.04 3iii s VAL 123 Ca 0.05 -0.32 -0.22 0.00 0.00 0.00 0.00 61.98 61.49 3iii s VAL 123 Cb -0.14 -2.77 0.02 0.00 0.00 0.00 0.00 36.38 33.49 3iii s VAL 123 CO -0.04 0.45 0.70 0.00 0.00 0.00 0.00 175.10 176.21 3iii s ALA 124 N 0.75 3.37 0.91 5.51 0.00 -0.22 -2.79 121.76 129.29 3iii s ALA 124 Ca -0.00 -0.98 -0.12 0.00 0.00 0.00 0.00 51.96 50.85 3iii s ALA 124 Cb -0.14 -3.33 0.14 0.00 0.00 0.00 0.00 23.12 19.79 3iii s ALA 124 CO 0.02 -1.67 1.12 -0.51 0.00 0.00 0.00 175.76 174.72 3iii s LEU 125 N 2.97 2.05 0.28 0.00 1.43 -0.41 -3.76 118.68 121.23 3iii s LEU 125 Ca 0.26 1.11 -0.29 0.00 -1.03 0.00 0.00 54.13 54.19 3iii s LEU 125 Cb -0.13 -3.47 -0.14 0.00 0.03 0.00 0.00 46.19 42.48 3iii s LEU 125 CO 0.19 -2.57 1.16 -1.14 0.23 0.00 0.00 176.35 174.22 3iii n ARG 126 N -3.80 1.64 0.00 1.70 0.63 -1.26 -1.71 116.66 113.86 3iii n ARG 126 Ca 0.06 0.58 0.00 0.00 -0.92 0.00 0.00 57.85 57.57 3iii n ARG 126 Cb 0.58 -2.06 0.00 0.00 0.45 0.00 0.00 32.46 31.43 3iii n ARG 126 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3iii n GLY 127 N 1.34 1.84 3.57 5.14 0.00 -1.24 -4.38 105.19 111.45 3iii n GLY 127 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 3iii n GLY 127 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iii s SER 128 N -3.04 4.18 1.69 1.61 1.04 -0.69 -4.70 113.70 113.79 3iii s SER 128 Ca 0.00 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.74 3iii s SER 128 Cb 0.00 -0.66 0.00 0.00 0.10 0.00 0.00 66.02 65.46 3iii s SER 128 CO 0.00 0.06 0.00 -0.67 0.98 0.00 0.00 173.24 173.61 3iii n ASP 129 N -0.34 0.00 -0.02 7.02 2.03 -1.26 -2.26 116.55 121.72 3iii n ASP 129 Ca -0.09 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.37 3iii n ASP 129 Cb 0.57 0.00 0.77 0.00 -0.72 0.00 0.00 41.12 41.74 3iii n ASP 129 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3iii n LYS 130 N 13.87 0.57 -2.64 -0.67 5.02 -1.26 -4.67 118.16 128.38 3iii n LYS 130 Ca 0.00 -0.04 -0.43 0.00 -2.02 0.00 0.00 58.31 55.82 3iii n LYS 130 Cb 0.00 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.49 3iii n LYS 130 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3iii s SER 131 N -2.46 7.19 -0.29 4.39 0.15 -0.96 -4.90 113.70 116.82 3iii s SER 131 Ca 0.32 1.56 0.10 0.00 0.70 0.00 0.00 55.95 58.62 3iii s SER 131 Cb 0.21 -2.55 0.54 0.00 -1.71 0.00 0.00 66.02 62.50 3iii s SER 131 CO 0.45 -0.51 1.52 0.29 1.20 0.00 0.00 173.24 176.19 3iii n LYS 132 N 5.27 2.18 -1.11 5.44 4.76 -1.26 -2.88 118.16 130.56 3iii n LYS 132 Ca 0.10 -3.09 -0.19 0.00 -2.87 0.00 0.00 58.31 52.26 3iii n LYS 132 Cb 0.48 -1.88 0.13 0.00 -1.84 0.00 0.00 35.03 31.92 3iii n LYS 132 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3iii n GLY 133 N -0.97 -1.59 3.69 0.72 0.00 -1.26 -4.67 105.19 101.11 3iii n GLY 133 Ca 0.34 -1.66 -0.44 0.00 0.00 0.00 0.00 46.02 44.26 3iii n GLY 133 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3iii n VAL 134 N -3.30 0.13 -3.79 1.61 0.31 -1.26 -3.67 118.33 108.36 3iii n VAL 134 Ca 0.10 -0.02 -0.36 0.00 -0.01 0.00 0.00 64.34 64.05 3iii n VAL 134 Cb 0.37 -1.82 -0.11 0.00 -0.91 0.00 0.00 33.84 31.36 3iii n VAL 134 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3iii s LEU 135 N 1.66 5.19 -0.53 7.52 0.20 -0.77 -3.84 118.68 128.10 3iii s LEU 135 Ca 0.80 -2.24 0.03 0.00 0.69 0.00 0.00 54.13 53.40 3iii s LEU 135 Cb -0.59 -1.81 0.13 0.00 -0.43 0.00 0.00 46.19 43.49 3iii s LEU 135 CO 0.37 -0.49 0.28 -0.55 -0.29 0.00 0.00 176.35 175.67 3iii s SER 136 N 1.46 4.45 0.34 3.68 0.15 -1.26 -1.23 113.70 121.29 3iii s SER 136 Ca 0.11 -2.96 -0.29 0.00 0.70 0.00 0.00 55.95 53.51 3iii s SER 136 Cb -0.22 -1.67 -0.11 0.00 -1.71 0.00 0.00 66.02 62.31 3iii s SER 136 CO -0.04 -0.26 1.53 -2.84 1.20 0.00 0.00 173.24 172.83 3iii s PRO 137 N -0.22 4.12 -1.18 5.44 0.02 -1.26 -3.61 135.00 138.32 3iii s PRO 137 Ca 0.17 2.56 -0.01 0.00 0.02 0.00 0.00 61.00 63.74 3iii s PRO 137 Cb -0.25 -2.99 -0.01 0.00 0.02 0.00 0.00 34.50 31.27 3iii s PRO 137 CO -0.01 -0.57 0.99 0.91 -0.33 0.00 0.00 177.00 177.99 3iii n TRP 138 N 1.20 -2.22 -4.42 6.54 8.01 -1.26 -4.99 117.44 120.30 3iii n TRP 138 Ca 0.04 0.93 -0.21 0.00 -1.31 0.00 0.00 57.50 56.95 3iii n TRP 138 Cb 0.39 -4.95 -0.10 0.00 -2.01 0.00 0.00 31.31 24.63 3iii n TRP 138 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 3iii s SER 139 N -4.23 2.28 0.14 -0.99 1.04 -1.24 -4.76 113.70 105.94 3iii s SER 139 Ca 0.06 -1.33 -0.12 0.00 0.48 0.00 0.00 55.95 55.04 3iii s SER 139 Cb -0.01 -0.07 -0.02 0.00 0.10 0.00 0.00 66.02 66.02 3iii s SER 139 CO 0.73 -0.56 1.52 0.50 0.98 0.00 0.00 173.24 176.40 3iii h LYS 140 N 2.21 0.88 -0.57 4.02 3.64 -1.91 -1.61 116.57 123.23 3iii h LYS 140 Ca -0.40 -0.38 0.05 0.00 -1.27 0.00 0.00 60.65 58.64 3iii h LYS 140 Cb 1.24 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.00 3iii h LYS 140 CO 0.68 1.03 0.38 0.07 -2.27 0.00 0.00 179.45 179.34 3iii h ARG 141 N 0.70 0.59 -0.14 1.90 0.11 -1.96 0.13 114.38 115.70 3iii h ARG 141 Ca 0.09 -0.04 -0.10 0.00 0.10 0.00 0.00 59.98 60.04 3iii h ARG 141 Cb 0.76 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 31.71 3iii h ARG 141 CO 0.06 0.39 -0.31 1.49 0.10 0.00 0.00 179.97 181.70 3iii h GLU 142 N 0.60 0.45 -0.90 0.08 4.81 -1.73 -2.88 114.58 115.02 3iii h GLU 142 Ca 0.24 -0.30 0.16 0.00 -0.13 0.00 0.00 59.36 59.32 3iii h GLU 142 Cb 0.18 0.04 -0.10 0.00 0.63 0.00 0.00 28.75 29.50 3iii h GLU 142 CO -0.07 0.91 0.49 0.00 -0.73 0.00 0.00 179.01 179.62 3iii h ALA 143 N 0.54 1.40 -0.75 2.92 0.00 -0.61 -2.14 119.26 120.63 3iii h ALA 143 Ca 0.00 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3iii h ALA 143 Cb 0.90 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3iii h ALA 143 CO 0.07 -0.07 0.34 0.93 0.00 0.00 0.00 179.25 180.52 3iii h GLU 144 N 0.67 1.07 -0.28 0.00 5.08 -0.62 -0.07 114.58 120.43 3iii h GLU 144 Ca 0.50 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.67 3iii h GLU 144 Cb 0.72 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3iii h GLU 144 CO -0.37 0.84 0.04 -0.44 -1.00 0.00 0.00 179.01 178.08 3iii h ASP 145 N 1.06 0.45 -0.62 1.42 3.32 -1.26 -2.34 116.42 118.46 3iii h ASP 145 Ca 0.26 -0.26 0.06 0.00 0.02 0.00 0.00 57.03 57.10 3iii h ASP 145 Cb 0.13 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.51 3iii h ASP 145 CO -0.03 0.60 0.33 0.22 -1.72 0.00 0.00 179.24 178.64 3iii h TYR 146 N 0.28 0.61 -0.53 4.55 -0.00 -1.14 -1.99 116.97 118.75 3iii h TYR 146 Ca 0.08 0.02 0.07 0.00 -0.00 0.00 0.00 58.73 58.90 3iii h TYR 146 Cb 0.34 -0.18 -0.06 0.00 -0.00 0.00 0.00 36.73 36.83 3iii h TYR 146 CO 0.02 0.29 0.23 -0.92 -0.00 0.00 0.00 178.16 177.78 3iii h TYR 147 N 0.63 0.40 -0.89 -3.82 5.03 -0.88 -0.92 116.97 116.53 3iii h TYR 147 Ca 0.28 0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.66 3iii h TYR 147 Cb 0.18 -0.10 -0.05 0.00 1.55 0.00 0.00 36.73 38.30 3iii h TYR 147 CO -0.09 0.15 0.58 0.93 -1.32 0.00 0.00 178.16 178.42 3iii h GLU 148 N 0.43 1.05 -0.29 1.82 5.08 -0.81 -1.81 114.58 120.05 3iii h GLU 148 Ca 0.25 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.39 3iii h GLU 148 Cb 0.24 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3iii h GLU 148 CO -0.22 0.70 -0.47 0.28 -1.00 0.00 0.00 179.01 178.30 3iii h VAL 149 N 1.09 1.29 -0.16 3.13 2.07 -0.89 -0.32 116.25 122.45 3iii h VAL 149 Ca 0.36 -1.66 0.02 0.00 0.82 0.00 0.00 66.70 66.25 3iii h VAL 149 Cb 0.07 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 3iii h VAL 149 CO -0.12 0.54 0.01 0.40 0.02 0.00 0.00 177.57 178.43 3iii h ILE 150 N 0.62 0.91 -0.18 4.57 2.04 -0.83 -0.95 117.51 123.69 3iii h ILE 150 Ca 0.03 -0.03 -0.11 0.00 1.00 0.00 0.00 64.86 65.75 3iii h ILE 150 Cb 1.04 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 3iii h ILE 150 CO 0.10 0.01 -0.39 -0.33 0.00 0.00 0.00 178.15 177.55 3iii h GLU 151 N 0.07 0.39 -0.32 2.37 4.39 -1.21 -2.32 114.58 117.96 3iii h GLU 151 Ca 0.07 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 3iii h GLU 151 Cb 0.08 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3iii h GLU 151 CO -0.11 0.72 0.11 2.35 -1.16 0.00 0.00 179.01 180.91 3iii h TRP 152 N 0.33 0.50 -0.72 4.33 7.01 -0.86 -3.02 115.95 123.52 3iii h TRP 152 Ca 0.03 -0.05 0.04 0.00 2.11 0.00 0.00 58.89 61.02 3iii h TRP 152 Cb 0.83 -0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 27.70 3iii h TRP 152 CO 0.02 0.50 0.47 0.00 -2.79 0.00 0.00 178.44 176.65 3iii h ALA 153 N 0.95 1.60 0.00 2.65 0.00 -0.95 -1.72 119.26 121.80 3iii h ALA 153 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3iii h ALA 153 Cb 0.23 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3iii h ALA 153 CO -0.01 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.56 3iii h ALA 154 N 1.59 1.00 -0.43 0.00 0.00 -1.29 -2.77 119.26 117.35 3iii h ALA 154 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3iii h ALA 154 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3iii h ALA 154 CO -0.08 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.26 3iii n ASN 155 N -3.03 3.40 -4.89 0.00 5.03 -0.65 -4.13 115.26 111.00 3iii n ASN 155 Ca -0.01 -1.96 -0.29 0.00 0.87 0.00 0.00 54.58 53.19 3iii n ASN 155 Cb 0.20 -0.28 -0.01 0.00 -1.02 0.00 0.00 39.78 38.67 3iii n ASN 155 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3iii s GLN 156 N -1.28 3.63 0.46 3.52 -1.52 -1.05 -4.96 119.66 118.46 3iii s GLN 156 Ca 0.37 0.42 0.11 0.00 -1.95 0.00 0.00 55.36 54.32 3iii s GLN 156 Cb 0.21 -2.30 1.04 0.00 -0.22 0.00 0.00 33.01 31.74 3iii s GLN 156 CO 0.29 -0.25 2.10 0.66 -0.25 0.00 0.00 175.29 177.84 3iii h SER 157 N 0.38 0.26 -0.26 5.90 4.64 -1.94 -0.96 113.55 121.57 3iii h SER 157 Ca -0.46 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3iii h SER 157 Cb 1.20 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3iii h SER 157 CO 0.62 0.19 0.00 -2.67 -0.87 0.00 0.00 176.83 174.10 3iii n TRP 158 N -4.50 0.35 -4.49 4.77 4.27 -1.26 -4.47 117.44 112.10 3iii n TRP 158 Ca 0.01 -0.17 -0.34 0.00 -3.89 0.00 0.00 57.50 53.10 3iii n TRP 158 Cb 0.08 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 29.91 3iii n TRP 158 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 3iii s SER 159 N -1.24 4.72 0.00 -0.67 0.15 -0.37 -0.55 113.70 115.74 3iii s SER 159 Ca 0.27 -0.10 0.18 0.00 0.70 0.00 0.00 55.95 57.00 3iii s SER 159 Cb 0.14 -1.59 1.01 0.00 -1.71 0.00 0.00 66.02 63.87 3iii s SER 159 CO 0.20 0.23 1.66 -0.46 1.20 0.00 0.00 173.24 176.07 3iii n ASN 160 N 3.09 0.31 0.00 5.45 6.94 0.03 -4.55 115.26 126.53 3iii n ASN 160 Ca -0.18 -1.49 0.00 0.00 -0.02 0.00 0.00 54.58 52.89 3iii n ASN 160 Cb 0.53 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.93 3iii n ASN 160 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3iii n GLY 161 N 0.84 1.50 3.36 4.83 0.00 -1.26 -4.98 105.19 109.49 3iii n GLY 161 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 3iii n GLY 161 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3iii s ASN 162 N -2.09 5.31 -0.14 1.61 0.01 -1.26 -4.78 114.94 113.60 3iii s ASN 162 Ca 0.00 -0.73 -0.04 0.00 -0.71 0.00 0.00 52.86 51.38 3iii s ASN 162 Cb 0.00 -1.92 -0.03 0.00 0.41 0.00 0.00 41.25 39.70 3iii s ASN 162 CO 0.00 -0.22 -0.00 -0.63 -1.51 0.00 0.00 177.10 174.73 3iii s ILE 163 N 1.53 4.24 -0.05 0.60 -1.09 -0.44 -1.68 121.20 124.30 3iii s ILE 163 Ca 0.03 -0.25 0.05 0.00 -2.23 0.00 0.00 60.65 58.25 3iii s ILE 163 Cb -0.18 -2.84 -0.00 0.00 -1.58 0.00 0.00 42.46 37.86 3iii s ILE 163 CO 0.04 0.53 -0.20 -0.83 -1.23 0.00 0.00 174.94 173.24 3iii s GLY 164 N -0.08 1.08 0.14 6.18 0.00 -0.05 -0.26 107.32 114.34 3iii s GLY 164 Ca 0.04 -0.82 -0.01 0.00 0.00 0.00 0.00 44.72 43.93 3iii s GLY 164 CO 0.02 -0.42 0.32 -0.51 0.00 0.00 0.00 173.10 172.50 3iii s THR 165 N 0.03 5.27 -0.27 0.90 -4.23 -0.89 -4.11 115.64 112.34 3iii s THR 165 Ca -0.06 -0.35 -0.25 0.00 -1.18 0.00 0.00 61.69 59.85 3iii s THR 165 Cb -0.13 -3.68 0.08 0.00 1.34 0.00 0.00 72.50 70.11 3iii s THR 165 CO 0.03 -0.03 0.81 0.21 -0.54 0.00 0.00 174.62 175.11 3iii s ASN 166 N -2.85 -0.66 0.00 3.99 3.84 -1.26 -0.77 114.94 117.23 3iii s ASN 166 Ca 0.37 1.28 0.00 0.00 0.21 0.00 0.00 52.86 54.72 3iii s ASN 166 Cb -0.12 1.30 0.00 0.00 -0.55 0.00 0.00 41.25 41.88 3iii s ASN 166 CO 0.28 -0.22 0.00 0.61 -2.79 0.00 0.00 177.10 174.97 3iii n GLY 167 N 2.54 1.51 3.52 1.21 0.00 -1.12 -4.34 105.19 108.51 3iii n GLY 167 Ca -0.14 -1.41 -0.31 0.00 0.00 0.00 0.00 46.02 44.17 3iii n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iii s VAL 168 N -1.87 3.14 0.00 1.61 1.01 -0.79 -1.75 120.40 121.74 3iii s VAL 168 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 60.87 3iii s VAL 168 Cb 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 34.01 3iii s VAL 168 CO 0.00 0.29 0.00 -0.24 0.00 0.00 0.00 175.10 175.15 3iii n SER 169 N 1.34 0.00 -0.33 3.32 2.88 -0.20 -1.78 113.62 118.85 3iii n SER 169 Ca -0.15 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.50 3iii n SER 169 Cb 0.52 0.00 0.33 0.00 -0.75 0.00 0.00 64.21 64.31 3iii n SER 169 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3iii h TYR 170 N 0.00 1.00 0.00 0.66 3.20 -1.95 0.18 116.97 120.05 3iii h TYR 170 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3iii h TYR 170 Cb 0.00 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 37.96 3iii h TYR 170 CO 0.00 0.30 0.00 -0.07 -1.64 0.00 0.00 178.16 176.75 3iii h LEU 171 N 0.79 0.00 0.09 2.82 4.07 -1.55 -1.72 115.31 119.80 3iii h LEU 171 Ca 0.52 0.00 -0.29 0.00 0.08 0.00 0.00 57.88 58.20 3iii h LEU 171 Cb 0.78 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.50 3iii h LEU 171 CO -0.30 0.00 -1.53 0.00 -1.08 0.00 0.00 178.44 175.53 3iii h ALA 172 N 2.01 0.28 -0.79 1.53 0.00 -0.77 -3.36 119.26 118.15 3iii h ALA 172 Ca 0.00 -1.21 0.02 0.00 0.00 0.00 0.00 54.91 53.73 3iii h ALA 172 Cb 0.33 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3iii h ALA 172 CO 0.00 0.93 0.51 0.28 0.00 0.00 0.00 179.25 180.97 3iii h VAL 173 N -0.39 1.15 0.00 0.00 2.07 -0.73 -0.91 116.25 117.44 3iii h VAL 173 Ca -0.35 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 3iii h VAL 173 Cb 1.71 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3iii h VAL 173 CO -0.01 0.19 -0.08 0.71 0.02 0.00 0.00 177.57 178.40 3iii h THR 174 N 1.02 0.53 -0.09 2.57 1.35 -1.54 -1.81 112.91 114.95 3iii h THR 174 Ca 0.31 -0.37 -0.13 0.00 -0.55 0.00 0.00 66.41 65.66 3iii h THR 174 Cb -0.04 1.24 0.01 0.00 -1.73 0.00 0.00 68.15 67.63 3iii h THR 174 CO -0.09 0.08 -0.47 1.56 -0.25 0.00 0.00 175.52 176.35 3iii h GLN 175 N 0.00 0.48 -0.40 4.72 4.20 -1.33 -0.95 115.11 121.82 3iii h GLN 175 Ca -0.00 -0.39 0.05 0.00 0.06 0.00 0.00 58.65 58.37 3iii h GLN 175 Cb 0.24 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 3iii h GLN 175 CO 0.01 1.02 0.14 -1.49 -0.67 0.00 0.00 178.83 177.85 3iii h TRP 176 N 0.05 0.26 0.44 2.96 -0.00 -0.92 -1.16 115.95 117.58 3iii h TRP 176 Ca -0.03 0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 58.87 3iii h TRP 176 Cb 1.12 -0.06 -0.03 0.00 -0.00 0.00 0.00 29.16 30.19 3iii h TRP 176 CO 0.12 0.10 -0.51 -1.49 -0.00 0.00 0.00 178.44 176.66 3iii h TRP 177 N 0.31 -1.42 -0.31 0.49 4.06 -1.35 -2.66 115.95 115.07 3iii h TRP 177 Ca 0.19 0.02 -0.07 0.00 2.06 0.00 0.00 58.89 61.08 3iii h TRP 177 Cb 0.16 0.56 -0.02 0.00 -1.00 0.00 0.00 29.16 28.87 3iii h TRP 177 CO -0.15 -0.66 -0.10 -0.24 -3.56 0.00 0.00 178.44 173.73 3iii h VAL 178 N -0.96 1.23 0.00 1.49 3.04 -1.02 -2.01 116.25 118.01 3iii h VAL 178 Ca -0.05 -0.99 -0.04 0.00 -1.01 0.00 0.00 66.70 64.61 3iii h VAL 178 Cb 0.85 1.10 -0.01 0.00 -2.01 0.00 0.00 31.29 31.23 3iii h VAL 178 CO -0.10 0.33 -0.17 0.00 -1.01 0.00 0.00 177.57 176.61 3iii h ALA 179 N 1.41 1.56 0.00 3.17 0.00 -1.21 -1.14 119.26 123.05 3iii h ALA 179 Ca 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3iii h ALA 179 Cb 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3iii h ALA 179 CO 0.03 0.21 0.00 0.66 0.00 0.00 0.00 179.25 180.15 3iii h SER 180 N 0.00 0.00 0.10 0.00 4.64 -0.98 -1.46 113.55 115.85 3iii h SER 180 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iii h SER 180 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3iii h SER 180 CO 0.02 0.00 -0.11 0.18 -0.87 0.00 0.00 176.83 176.06 3iii n LEU 181 N -2.95 1.24 -3.56 5.97 4.77 -0.43 -4.72 117.00 117.33 3iii n LEU 181 Ca -0.01 -0.38 -0.32 0.00 -0.03 0.00 0.00 56.01 55.28 3iii n LEU 181 Cb 0.20 -0.06 0.02 0.00 -2.33 0.00 0.00 43.42 41.25 3iii n LEU 181 CO 0.23 0.22 -0.26 -3.20 -1.33 0.00 0.00 177.39 173.04 3iii n ASN 182 N -0.22 -4.94 -4.73 -1.43 4.05 -0.55 -4.91 115.26 102.53 3iii n ASN 182 Ca 0.16 -0.50 -0.42 0.00 0.45 0.00 0.00 54.58 54.28 3iii n ASN 182 Cb 0.34 -1.52 -0.03 0.00 1.23 0.00 0.00 39.78 39.81 3iii n ASN 182 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 177.26 171.37 3iii s PRO 183 N -3.42 4.25 0.49 1.20 0.02 -1.26 -4.91 135.00 131.38 3iii s PRO 183 Ca 0.21 2.29 0.16 0.00 0.02 0.00 0.00 61.00 63.69 3iii s PRO 183 Cb -0.02 -3.15 1.20 0.00 0.02 0.00 0.00 34.50 32.54 3iii s PRO 183 CO 0.85 -0.52 2.08 -1.35 -0.33 0.00 0.00 177.00 177.74 3iii h PRO 184 N 6.21 0.14 -0.43 5.54 0.11 -1.97 -2.19 132.00 139.41 3iii h PRO 184 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3iii h PRO 184 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3iii h PRO 184 CO 0.86 0.09 0.00 0.72 -0.21 0.00 0.00 178.00 179.46 3iii n HIS 185 N -4.49 0.56 -2.57 0.65 8.25 -1.26 -4.77 115.22 111.59 3iii n HIS 185 Ca 0.02 -0.28 -0.42 0.00 -0.26 0.00 0.00 57.72 56.78 3iii n HIS 185 Cb 0.22 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.31 3iii n HIS 185 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3iii s LEU 186 N -1.39 3.48 0.00 2.41 2.96 -0.83 -1.33 118.68 123.98 3iii s LEU 186 Ca 0.40 0.19 0.18 0.00 -0.22 0.00 0.00 54.13 54.68 3iii s LEU 186 Cb 0.23 -3.24 -0.20 0.00 0.50 0.00 0.00 46.19 43.48 3iii s LEU 186 CO 0.31 -1.45 0.78 0.29 -1.32 0.00 0.00 176.35 174.96 3iii n LYS 187 N 8.35 0.90 -2.15 1.98 4.76 0.65 -4.87 118.16 127.78 3iii n LYS 187 Ca 0.09 -0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.52 3iii n LYS 187 Cb 0.49 -1.37 0.01 0.00 -1.84 0.00 0.00 35.03 32.31 3iii n LYS 187 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3iii n ALA 188 N -1.43 -0.79 -2.69 7.82 0.00 -1.22 -4.25 120.51 117.94 3iii n ALA 188 Ca 0.03 -0.30 -0.04 0.00 0.00 0.00 0.00 53.44 53.14 3iii n ALA 188 Cb 0.29 0.16 0.04 0.00 0.00 0.00 0.00 19.45 19.94 3iii n ALA 188 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3iii n ILE 190 N -0.21 0.00 -2.37 0.00 5.41 0.05 -2.09 119.36 120.15 3iii n ILE 190 Ca -0.01 -0.50 -0.39 0.00 1.00 0.00 0.00 62.75 62.86 3iii n ILE 190 Cb 0.17 0.80 -0.03 0.00 -0.71 0.00 0.00 39.64 39.86 3iii n ILE 190 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3iii s PRO 191 N 0.83 3.06 -0.93 0.38 0.04 -1.20 -2.80 135.00 134.38 3iii s PRO 191 Ca 0.26 -0.22 -0.17 0.00 0.04 0.00 0.00 61.00 60.91 3iii s PRO 191 Cb 0.12 -4.57 0.16 0.00 0.04 0.00 0.00 34.50 30.25 3iii s PRO 191 CO -0.10 -2.44 1.05 -0.46 0.04 0.00 0.00 177.00 175.09 3iii s TRP 192 N 6.88 3.37 -0.17 0.56 -0.11 -0.72 -2.50 118.94 126.25 3iii s TRP 192 Ca 0.49 -1.66 -0.02 0.00 1.22 0.00 0.00 56.10 56.13 3iii s TRP 192 Cb -0.07 -4.14 0.00 0.00 -1.50 0.00 0.00 33.47 27.76 3iii s TRP 192 CO 0.10 -1.32 0.07 0.39 -4.62 0.00 0.00 176.95 171.56 3iii n GLU 193 N 5.63 -1.70 -3.73 5.86 1.02 -0.38 -3.44 120.64 123.90 3iii n GLU 193 Ca 0.22 1.62 -0.12 0.00 -0.02 0.00 0.00 57.16 58.86 3iii n GLU 193 Cb 0.48 -3.37 -0.12 0.00 -0.02 0.00 0.00 31.44 28.41 3iii n GLU 193 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3iii s GLY 194 N -1.06 -0.22 1.02 0.62 0.00 -1.26 -1.03 107.32 105.38 3iii s GLY 194 Ca 0.03 1.12 -0.12 0.00 0.00 0.00 0.00 44.72 45.75 3iii s GLY 194 CO 0.41 1.24 1.08 0.48 0.00 0.00 0.00 173.10 176.30 3iii s LEU 195 N 0.99 1.57 0.00 0.66 0.05 -1.26 -3.26 118.68 117.44 3iii s LEU 195 Ca -0.07 1.33 0.00 0.00 0.05 0.00 0.00 54.13 55.45 3iii s LEU 195 Cb -0.07 -3.50 0.00 0.00 -2.05 0.00 0.00 46.19 40.56 3iii s LEU 195 CO -0.07 -3.29 0.36 -0.46 -0.55 0.00 0.00 176.35 172.34 3iii n ASN 196 N -4.29 0.00 -4.13 1.48 0.23 -1.26 -4.46 115.26 102.83 3iii n ASN 196 Ca 0.05 -1.13 -0.09 0.00 -0.53 0.00 0.00 54.58 52.88 3iii n ASN 196 Cb 0.56 -0.03 -0.10 0.00 -2.08 0.00 0.00 39.78 38.14 3iii n ASN 196 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3iii s ASP 197 N -0.13 0.30 0.00 0.53 -1.08 -1.26 -0.64 116.67 114.38 3iii s ASP 197 Ca 0.00 -1.16 0.00 0.00 -0.52 0.00 0.00 52.55 50.87 3iii s ASP 197 Cb 0.00 0.30 0.00 0.00 -1.46 0.00 0.00 42.92 41.76 3iii s ASP 197 CO 0.00 -0.73 0.00 0.00 0.52 0.00 0.00 175.17 174.96 3iii n TYR 199 N -0.09 0.00 0.46 -5.34 9.36 -1.26 -1.60 117.16 118.69 3iii n TYR 199 Ca -0.06 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.28 3iii n TYR 199 Cb 0.63 0.00 0.12 0.00 -0.63 0.00 0.00 39.34 39.46 3iii n TYR 199 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3iii h ARG 200 N 0.00 0.00 0.00 2.98 3.08 -1.98 -2.94 114.38 115.53 3iii h ARG 200 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3iii h ARG 200 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3iii h ARG 200 CO 0.00 0.00 -1.15 0.39 -1.07 0.00 0.00 179.97 178.14 3iii n GLU 201 N -2.25 2.26 0.00 0.04 1.02 -0.63 -4.61 120.64 116.48 3iii n GLU 201 Ca 0.02 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3iii n GLU 201 Cb 0.47 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.82 3iii n GLU 201 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 3iii n VAL 202 N -1.90 0.00 -0.06 2.62 3.14 -1.26 -4.03 118.33 116.84 3iii n VAL 202 Ca -0.03 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.28 3iii n VAL 202 Cb 0.38 -0.29 0.10 0.00 -1.06 0.00 0.00 33.84 32.97 3iii n VAL 202 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3iii h ALA 203 N 0.00 0.90 -2.90 1.55 0.00 -1.91 -3.41 119.26 113.48 3iii h ALA 203 Ca 0.00 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.38 3iii h ALA 203 Cb 0.14 -0.14 -0.23 0.00 0.00 0.00 0.00 17.79 17.56 3iii h ALA 203 CO 0.00 0.62 -0.45 -0.06 0.00 0.00 0.00 179.25 179.37 3iii s PHE 204 N -4.54 -0.11 -0.26 0.00 0.08 -1.11 -1.62 117.98 110.42 3iii s PHE 204 Ca -0.09 0.22 -0.03 0.00 0.12 0.00 0.00 56.93 57.14 3iii s PHE 204 Cb 0.13 0.03 0.02 0.00 -0.57 0.00 0.00 43.02 42.63 3iii s PHE 204 CO 0.83 -0.23 -0.01 -1.01 -0.10 0.00 0.00 175.22 174.69 3iii s HIS 205 N -0.77 3.10 -1.83 0.36 3.76 0.50 -3.78 115.29 116.63 3iii s HIS 205 Ca -0.09 -1.35 0.00 0.00 -0.15 0.00 0.00 55.06 53.47 3iii s HIS 205 Cb -0.05 -2.13 0.00 0.00 1.11 0.00 0.00 32.58 31.52 3iii s HIS 205 CO 0.01 -0.67 0.00 0.41 -0.85 0.00 0.00 174.74 173.64 3iii n GLY 206 N 4.74 0.02 1.77 -2.22 0.00 -1.25 -0.78 105.19 107.46 3iii n GLY 206 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3iii n GLY 206 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iii n GLY 207 N -0.87 1.59 3.65 -0.02 0.00 -1.26 -0.92 105.19 107.36 3iii n GLY 207 Ca -0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 3iii n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iii s ILE 208 N -2.70 5.13 0.26 -0.61 1.01 0.04 -4.85 121.20 119.47 3iii s ILE 208 Ca 0.00 0.83 -0.30 0.00 0.00 0.00 0.00 60.65 61.18 3iii s ILE 208 Cb 0.00 -3.79 -0.10 0.00 0.01 0.00 0.00 42.46 38.58 3iii s ILE 208 CO 0.00 0.18 1.43 -2.16 0.00 0.00 0.00 174.94 174.39 3iii s PRO 209 N 1.71 4.27 -0.33 2.79 0.04 -1.26 -0.37 135.00 141.85 3iii s PRO 209 Ca 0.21 2.30 -0.29 0.00 0.04 0.00 0.00 61.00 63.26 3iii s PRO 209 Cb -0.15 -3.10 0.01 0.00 0.04 0.00 0.00 34.50 31.30 3iii s PRO 209 CO 0.09 -0.40 1.18 0.34 0.04 0.00 0.00 177.00 178.25 3iii s ASP 210 N 0.28 6.79 0.00 6.66 2.15 -0.64 -4.56 116.67 127.35 3iii s ASP 210 Ca 0.58 1.06 0.24 0.00 0.43 0.00 0.00 52.55 54.86 3iii s ASP 210 Cb -0.42 -2.54 0.39 0.00 -0.30 0.00 0.00 42.92 40.05 3iii s ASP 210 CO 0.44 -1.01 1.37 0.35 -0.17 0.00 0.00 175.17 176.16 3iii n THR 211 N 6.12 0.18 0.00 1.71 -2.24 0.49 -4.41 114.28 116.13 3iii n THR 211 Ca 0.13 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3iii n THR 211 Cb 0.47 1.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 3iii n THR 211 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iii n GLY 212 N 1.38 0.46 0.30 3.38 0.00 -1.22 -4.71 105.19 104.77 3iii n GLY 212 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 3iii n GLY 212 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3iii h PHE 213 N 0.00 -0.07 -0.60 1.61 3.57 -1.02 -0.75 116.94 119.67 3iii h PHE 213 Ca 0.00 0.06 0.12 0.00 3.53 0.00 0.00 57.97 61.68 3iii h PHE 213 Cb 0.00 0.16 -0.09 0.00 2.79 0.00 0.00 35.95 38.81 3iii h PHE 213 CO 0.00 -0.30 0.11 -0.92 -2.23 0.00 0.00 178.31 174.97 3iii h TYR 214 N 0.08 0.16 -0.13 0.41 3.20 -1.81 0.37 116.97 119.24 3iii h TYR 214 Ca 0.46 0.04 -0.23 0.00 3.14 0.00 0.00 58.73 62.14 3iii h TYR 214 Cb 0.85 0.02 0.01 0.00 1.54 0.00 0.00 36.73 39.15 3iii h TYR 214 CO -0.46 -0.06 -0.82 0.00 -1.64 0.00 0.00 178.16 175.18 3iii h ARG 215 N 0.23 0.78 -0.74 1.82 3.08 -1.41 -1.06 114.38 117.09 3iii h ARG 215 Ca 0.32 -0.67 0.03 0.00 0.07 0.00 0.00 59.98 59.73 3iii h ARG 215 Cb 0.49 0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.64 3iii h ARG 215 CO -0.43 1.27 0.47 0.35 -1.07 0.00 0.00 179.97 180.56 3iii h PHE 216 N 0.52 0.88 0.01 3.04 3.57 -0.40 -0.37 116.94 124.19 3iii h PHE 216 Ca -0.06 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 3iii h PHE 216 Cb 1.45 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.90 3iii h PHE 216 CO 0.09 0.51 -0.01 2.35 -2.23 0.00 0.00 178.31 179.02 3iii h TRP 217 N 0.92 -0.02 -0.20 0.41 7.01 -0.29 0.12 115.95 123.91 3iii h TRP 217 Ca 0.30 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.31 3iii h TRP 217 Cb 0.01 0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.05 3iii h TRP 217 CO -0.04 0.33 0.06 1.15 -2.79 0.00 0.00 178.44 177.16 3iii h THR 218 N -0.36 0.95 -0.87 2.65 2.02 -0.98 -2.37 112.91 113.94 3iii h THR 218 Ca -0.00 -0.05 0.02 0.00 0.77 0.00 0.00 66.41 67.14 3iii h THR 218 Cb 0.35 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 67.49 3iii h THR 218 CO 0.00 0.03 0.58 1.56 0.37 0.00 0.00 175.52 178.06 3iii h GLN 219 N 0.16 1.11 -0.91 6.66 4.20 -0.97 -2.27 115.11 123.08 3iii h GLN 219 Ca 0.09 -0.07 0.08 0.00 0.06 0.00 0.00 58.65 58.81 3iii h GLN 219 Cb 0.06 -0.25 -0.07 0.00 0.30 0.00 0.00 27.48 27.52 3iii h GLN 219 CO -0.09 0.73 0.57 0.78 -0.67 0.00 0.00 178.83 180.15 3iii h GLY 220 N 1.14 1.40 0.73 3.46 0.00 -0.58 0.12 103.07 109.34 3iii h GLY 220 Ca 0.33 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 3iii h GLY 220 CO -0.08 0.25 0.00 -2.22 0.00 0.00 0.00 176.54 174.49 3iii h ILE 221 N 1.00 1.23 -0.71 2.60 2.04 -0.92 -1.38 117.51 121.36 3iii h ILE 221 Ca 0.41 -0.68 0.10 0.00 1.00 0.00 0.00 64.86 65.69 3iii h ILE 221 Cb 0.25 1.64 -0.08 0.00 -0.74 0.00 0.00 36.82 37.89 3iii h ILE 221 CO -0.20 0.18 0.34 -0.26 0.00 0.00 0.00 178.15 178.21 3iii h PHE 222 N -0.23 0.60 0.00 1.37 0.04 -1.16 -1.79 116.94 115.77 3iii h PHE 222 Ca 0.01 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.75 3iii h PHE 222 Cb 0.29 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 3iii h PHE 222 CO 0.02 0.19 -0.29 0.00 -0.60 0.00 0.00 178.31 177.64 3iii h ALA 223 N 1.45 1.23 -0.02 2.45 0.00 -0.62 -3.08 119.26 120.65 3iii h ALA 223 Ca 0.36 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 3iii h ALA 223 Cb 0.41 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3iii h ALA 223 CO -0.29 0.36 -0.64 -0.09 0.00 0.00 0.00 179.25 178.59 3iii h ARG 224 N 0.00 0.10 -2.07 0.00 9.65 -0.34 -3.37 114.38 118.34 3iii h ARG 224 Ca -0.00 -0.07 -0.54 0.00 -1.10 0.00 0.00 59.98 58.27 3iii h ARG 224 Cb 0.63 0.01 -0.40 0.00 -1.39 0.00 0.00 29.97 28.82 3iii h ARG 224 CO 0.04 0.70 -1.00 0.91 2.80 0.00 0.00 179.97 183.42 3iii n TRP 225 N -3.81 1.14 0.31 2.20 7.02 -1.16 -4.94 117.44 118.20 3iii n TRP 225 Ca -0.02 -3.82 0.16 0.00 -1.02 0.00 0.00 57.50 52.81 3iii n TRP 225 Cb 0.63 -0.43 0.74 0.00 -2.42 0.00 0.00 31.31 29.83 3iii n TRP 225 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 3iii h THR 226 N 1.93 0.00 -0.48 -0.99 1.35 -1.73 -1.54 112.91 111.47 3iii h THR 226 Ca 0.11 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 3iii h THR 226 Cb 0.82 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 3iii h THR 226 CO 0.59 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.96 3iii n ASP 227 N -2.78 2.61 -4.46 5.36 5.75 -1.26 -4.73 116.55 117.04 3iii n ASP 227 Ca 0.00 -1.99 -0.42 0.00 -0.01 0.00 0.00 54.79 52.38 3iii n ASP 227 Cb 0.21 -0.32 -0.10 0.00 -1.03 0.00 0.00 41.12 39.88 3iii n ASP 227 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3iii s ASN 228 N -1.04 5.99 0.00 -1.12 3.84 -0.58 -4.96 114.94 117.07 3iii s ASN 228 Ca 0.33 -0.79 0.22 0.00 0.21 0.00 0.00 52.86 52.84 3iii s ASN 228 Cb 0.17 -2.12 1.26 0.00 -0.55 0.00 0.00 41.25 40.01 3iii s ASN 228 CO 0.23 -0.37 1.82 -0.81 -2.79 0.00 0.00 177.10 175.17 3iii n PRO 229 N 5.10 1.09 -0.78 0.43 -0.04 -1.26 -4.14 135.00 135.40 3iii n PRO 229 Ca -0.12 -0.13 -0.03 0.00 -0.04 0.00 0.00 63.50 63.18 3iii n PRO 229 Cb 0.48 -1.35 0.20 0.00 -0.04 0.00 0.00 33.50 32.78 3iii n PRO 229 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3iii n ASN 230 N -0.70 2.38 -4.74 3.54 5.03 -1.26 -4.99 115.26 114.51 3iii n ASN 230 Ca 0.17 -3.80 -0.39 0.00 0.87 0.00 0.00 54.58 51.43 3iii n ASN 230 Cb 0.11 -0.62 -0.05 0.00 -1.02 0.00 0.00 39.78 38.19 3iii n ASN 230 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3iii s ILE 231 N -3.25 5.03 0.22 2.41 1.01 -1.26 -1.85 121.20 123.51 3iii s ILE 231 Ca 0.44 1.23 -0.30 0.00 0.00 0.00 0.00 60.65 62.01 3iii s ILE 231 Cb 0.40 -3.93 -0.10 0.00 0.01 0.00 0.00 42.46 38.84 3iii s ILE 231 CO -0.01 0.34 1.42 -0.70 0.00 0.00 0.00 174.94 175.99 3iii s GLU 232 N 0.35 4.29 -0.98 2.79 2.12 -0.36 -4.91 118.70 121.99 3iii s GLU 232 Ca 0.32 2.25 -0.20 0.00 0.36 0.00 0.00 54.97 57.70 3iii s GLU 232 Cb -0.17 -3.14 0.11 0.00 0.26 0.00 0.00 34.13 31.19 3iii s GLU 232 CO 0.16 -0.41 1.25 0.34 -0.54 0.00 0.00 175.26 176.05 3iii s ASP 233 N 0.48 6.63 0.25 -1.70 -1.08 -1.26 -4.81 116.67 115.17 3iii s ASP 233 Ca 0.60 -1.95 0.26 0.00 -0.52 0.00 0.00 52.55 50.94 3iii s ASP 233 Cb -0.41 -2.45 0.75 0.00 -1.46 0.00 0.00 42.92 39.36 3iii s ASP 233 CO 0.40 -1.17 1.75 -0.07 0.52 0.00 0.00 175.17 176.61 3iii h LEU 234 N 11.06 0.00 0.06 -1.34 3.38 -1.95 -1.96 115.31 124.56 3iii h LEU 234 Ca 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 3iii h LEU 234 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3iii h LEU 234 CO 1.21 0.00 -0.03 0.40 0.09 0.00 0.00 178.44 180.11 3iii h ILE 235 N 0.00 1.12 -0.23 1.22 1.08 -1.95 -2.53 117.51 116.22 3iii h ILE 235 Ca 0.00 -0.60 -0.08 0.00 -0.39 0.00 0.00 64.86 63.79 3iii h ILE 235 Cb 0.76 1.51 -0.01 0.00 -3.07 0.00 0.00 36.82 36.01 3iii h ILE 235 CO 0.00 0.15 -0.20 -0.61 -0.69 0.00 0.00 178.15 176.80 3iii h GLN 236 N -0.35 0.41 -0.86 2.37 5.75 -1.92 -2.30 115.11 118.21 3iii h GLN 236 Ca -0.01 -0.13 -0.02 0.00 -0.15 0.00 0.00 58.65 58.34 3iii h GLN 236 Cb 0.31 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.78 3iii h GLN 236 CO 0.01 0.59 0.47 0.00 -2.65 0.00 0.00 178.83 177.25 3iii h ALA 237 N 1.42 1.10 -0.54 3.38 0.00 -1.29 -0.59 119.26 122.74 3iii h ALA 237 Ca 0.06 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3iii h ALA 237 Cb 0.56 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3iii h ALA 237 CO 0.04 0.62 0.01 0.37 0.00 0.00 0.00 179.25 180.29 3iii h GLN 238 N 1.20 0.94 -0.13 0.00 4.15 -1.06 -0.43 115.11 119.79 3iii h GLN 238 Ca 0.30 -0.30 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3iii h GLN 238 Cb 0.04 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 3iii h GLN 238 CO -0.05 0.95 0.08 1.96 -1.93 0.00 0.00 178.83 179.84 3iii h GLN 239 N 0.82 0.15 -0.02 1.69 1.08 -0.83 -3.31 115.11 114.69 3iii h GLN 239 Ca 0.15 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 3iii h GLN 239 Cb 0.52 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 3iii h GLN 239 CO 0.03 0.10 -0.18 -0.85 -0.95 0.00 0.00 178.83 176.98 3iii n GLU 240 N -5.02 1.55 -3.42 1.46 0.28 -0.30 -4.43 120.64 110.78 3iii n GLU 240 Ca -0.04 -1.14 -0.26 0.00 -0.16 0.00 0.00 57.16 55.56 3iii n GLU 240 Cb 0.04 -1.48 -0.08 0.00 1.43 0.00 0.00 31.44 31.35 3iii n GLU 240 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3iii n HIS 241 N 0.27 2.35 0.65 -1.84 8.25 -0.19 -4.94 115.22 119.76 3iii n HIS 241 Ca 0.14 -3.98 0.11 0.00 -0.26 0.00 0.00 57.72 53.72 3iii n HIS 241 Cb 0.45 -0.47 0.44 0.00 1.12 0.00 0.00 29.99 31.53 3iii n HIS 241 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3iii n PRO 242 N 1.22 0.06 -4.54 -0.41 -0.04 -1.26 -4.80 135.00 125.23 3iii n PRO 242 Ca 0.27 0.20 -0.27 0.00 -0.04 0.00 0.00 63.50 63.65 3iii n PRO 242 Cb 0.44 -1.59 -0.10 0.00 -0.04 0.00 0.00 33.50 32.20 3iii n PRO 242 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3iii s LEU 243 N -3.40 2.83 -1.17 1.53 1.43 -1.26 -4.97 118.68 113.67 3iii s LEU 243 Ca 0.09 -1.24 -0.18 0.00 -1.03 0.00 0.00 54.13 51.77 3iii s LEU 243 Cb 0.13 -1.01 0.10 0.00 0.03 0.00 0.00 46.19 45.43 3iii s LEU 243 CO 0.40 -0.31 1.53 0.12 0.23 0.00 0.00 176.35 178.32 3iii s PHE 244 N -2.64 2.92 0.00 0.29 5.36 0.32 -4.79 117.98 119.44 3iii s PHE 244 Ca 0.34 -1.54 0.00 0.00 -0.96 0.00 0.00 56.93 54.77 3iii s PHE 244 Cb 0.05 -4.59 0.00 0.00 -0.34 0.00 0.00 43.02 38.14 3iii s PHE 244 CO 0.18 -1.71 0.00 -0.40 -1.46 0.00 0.00 175.22 171.83 3iii n ASP 245 N 7.68 0.67 -0.27 6.13 5.68 -1.26 -4.71 116.55 130.47 3iii n ASP 245 Ca 0.40 -0.60 -0.00 0.00 -0.50 0.00 0.00 54.79 54.08 3iii n ASP 245 Cb 0.47 0.00 0.20 0.00 -1.14 0.00 0.00 41.12 40.65 3iii n ASP 245 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3iii h ASP 246 N 0.00 0.96 0.04 -1.12 3.32 -1.99 -0.46 116.42 117.17 3iii h ASP 246 Ca 0.00 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.05 3iii h ASP 246 Cb 0.00 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.26 3iii h ASP 246 CO 0.00 0.70 -0.38 0.15 -1.72 0.00 0.00 179.24 177.99 3iii h PHE 247 N 1.13 -1.07 0.00 4.55 3.57 -1.94 -2.92 116.94 120.26 3iii h PHE 247 Ca 0.30 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.71 3iii h PHE 247 Cb -0.12 0.46 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 3iii h PHE 247 CO 0.00 -0.47 -0.58 -1.49 -2.23 0.00 0.00 178.31 173.54 3iii h TRP 248 N -0.56 0.00 -0.27 0.41 4.06 -1.79 -2.91 115.95 114.89 3iii h TRP 248 Ca 0.05 0.00 0.01 0.00 2.06 0.00 0.00 58.89 61.00 3iii h TRP 248 Cb 0.63 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.77 3iii h TRP 248 CO -0.38 0.58 0.18 0.87 -3.56 0.00 0.00 178.44 176.13 3iii h LYS 249 N 0.00 0.34 0.00 0.49 1.57 -1.03 0.26 116.57 118.21 3iii h LYS 249 Ca -0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3iii h LYS 249 Cb 1.06 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.29 3iii h LYS 249 CO 0.07 0.22 0.00 1.04 -0.57 0.00 0.00 179.45 180.22 3iii n GLN 250 N -4.50 0.29 -0.27 3.15 6.02 -1.10 -2.79 117.38 118.18 3iii n GLN 250 Ca 0.01 0.10 0.08 0.00 -0.01 0.00 0.00 57.00 57.18 3iii n GLN 250 Cb 0.08 -1.50 0.19 0.00 1.02 0.00 0.00 30.24 30.04 3iii n GLN 250 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3iii n ARG 251 N -1.27 2.41 -3.77 -1.09 5.12 0.07 -4.44 116.66 113.69 3iii n ARG 251 Ca 0.09 -2.59 -0.37 0.00 -1.93 0.00 0.00 57.85 53.05 3iii n ARG 251 Cb 0.14 -1.62 -0.13 0.00 -1.16 0.00 0.00 32.46 29.70 3iii n ARG 251 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 3iii s GLN 252 N -2.53 2.91 0.28 5.56 0.74 -1.12 -4.04 119.66 121.46 3iii s GLN 252 Ca 0.34 -0.98 -0.30 0.00 0.05 0.00 0.00 55.36 54.48 3iii s GLN 252 Cb 0.28 -3.38 -0.11 0.00 1.10 0.00 0.00 33.01 30.90 3iii s GLN 252 CO 0.07 -0.52 1.49 0.08 -0.55 0.00 0.00 175.29 175.87 3iii s VAL 253 N 1.45 2.38 -1.25 1.34 1.01 0.18 -4.89 120.40 120.62 3iii s VAL 253 Ca 0.01 0.33 -0.19 0.00 0.00 0.00 0.00 61.98 62.13 3iii s VAL 253 Cb -0.18 -3.21 0.05 0.00 0.00 0.00 0.00 36.38 33.04 3iii s VAL 253 CO 0.02 0.06 1.74 -2.16 0.00 0.00 0.00 175.10 174.75 3iii s PRO 254 N -0.70 3.75 0.45 2.72 0.04 -1.26 -4.83 135.00 135.17 3iii s PRO 254 Ca 0.59 -1.79 0.13 0.00 0.04 0.00 0.00 61.00 59.98 3iii s PRO 254 Cb -0.44 -5.48 0.99 0.00 0.04 0.00 0.00 34.50 29.61 3iii s PRO 254 CO 0.48 -2.48 2.01 -0.07 0.04 0.00 0.00 177.00 176.98 3iii h LEU 255 N 13.28 0.08 -0.43 -3.56 3.38 -1.90 -2.17 115.31 123.98 3iii h LEU 255 Ca 0.39 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3iii h LEU 255 Cb 0.89 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3iii h LEU 255 CO 1.43 0.20 0.00 -1.54 0.09 0.00 0.00 178.44 178.62 3iii n SER 256 N -4.36 0.38 0.21 -0.43 3.41 -1.24 -1.25 113.62 110.34 3iii n SER 256 Ca -0.02 0.60 0.14 0.00 -0.26 0.00 0.00 58.87 59.34 3iii n SER 256 Cb 0.21 -0.68 0.53 0.00 -0.26 0.00 0.00 64.21 64.01 3iii n SER 256 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3iii h GLN 257 N 0.00 0.00 -6.30 4.33 4.20 -1.70 -3.36 115.11 112.28 3iii h GLN 257 Ca 0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 3iii h GLN 257 Cb 0.30 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 3iii h GLN 257 CO 0.00 0.00 0.77 0.42 -0.67 0.00 0.00 178.83 179.35 3iii s ILE 258 N -3.44 4.11 -0.25 2.54 1.01 -0.38 -4.76 121.20 120.03 3iii s ILE 258 Ca 0.04 1.44 0.05 0.00 0.00 0.00 0.00 60.65 62.18 3iii s ILE 258 Cb 0.09 -3.93 -0.06 0.00 0.01 0.00 0.00 42.46 38.57 3iii s ILE 258 CO 0.52 -0.02 0.23 0.29 0.00 0.00 0.00 174.94 175.96 3iii n LYS 259 N 5.48 5.01 -2.11 2.79 5.02 -1.26 -0.49 118.16 132.59 3iii n LYS 259 Ca 0.12 -0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 56.00 3iii n LYS 259 Cb 0.45 -0.77 -0.02 0.00 -0.02 0.00 0.00 35.03 34.67 3iii n LYS 259 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3iii s THR 260 N -1.55 2.79 0.22 -0.18 2.01 -1.26 -4.30 115.64 113.37 3iii s THR 260 Ca 0.02 0.73 -0.31 0.00 0.31 0.00 0.00 61.69 62.44 3iii s THR 260 Cb 0.04 -3.47 -0.15 0.00 0.01 0.00 0.00 72.50 68.94 3iii s THR 260 CO 0.22 0.15 1.20 -2.65 -0.69 0.00 0.00 174.62 172.85 3iii n PRO 261 N 1.51 1.46 -3.85 4.92 -0.02 -1.26 -4.74 135.00 133.03 3iii n PRO 261 Ca 0.03 0.52 -0.19 0.00 -2.02 0.00 0.00 63.50 61.84 3iii n PRO 261 Cb 0.42 -2.03 -0.17 0.00 -0.02 0.00 0.00 33.50 31.69 3iii n PRO 261 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3iii s LEU 262 N 0.43 0.84 -0.30 2.45 2.96 -0.49 -4.30 118.68 120.26 3iii s LEU 262 Ca 0.68 -0.02 0.01 0.00 -0.22 0.00 0.00 54.13 54.59 3iii s LEU 262 Cb -0.76 -0.25 0.07 0.00 0.50 0.00 0.00 46.19 45.75 3iii s LEU 262 CO 0.53 -0.15 -0.01 -0.22 -1.32 0.00 0.00 176.35 175.18 3iii s LEU 263 N 1.45 4.04 -0.11 -0.68 2.96 -1.26 -0.35 118.68 124.72 3iii s LEU 263 Ca -0.04 -1.57 -0.09 0.00 -0.22 0.00 0.00 54.13 52.21 3iii s LEU 263 Cb -0.13 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 3iii s LEU 263 CO -0.03 -0.29 0.20 -0.89 -1.32 0.00 0.00 176.35 174.03 3iii s THR 264 N 1.11 5.39 -0.14 3.68 2.01 -0.02 -3.26 115.64 124.42 3iii s THR 264 Ca -0.02 0.35 -0.02 0.00 0.31 0.00 0.00 61.69 62.30 3iii s THR 264 Cb -0.20 -3.49 -0.02 0.00 0.01 0.00 0.00 72.50 68.80 3iii s THR 264 CO -0.04 0.57 -0.07 0.00 -0.69 0.00 0.00 174.62 174.39 3iii s ALA 266 N 0.24 2.87 -0.01 0.00 0.00 -0.71 -1.25 121.76 122.90 3iii s ALA 266 Ca -0.05 -1.69 0.01 0.00 0.00 0.00 0.00 51.96 50.24 3iii s ALA 266 Cb -0.14 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.47 3iii s ALA 266 CO 0.04 0.34 -0.03 0.45 0.00 0.00 0.00 175.76 176.55 3iii s SER 267 N -3.27 0.52 0.62 0.00 0.15 -1.26 -2.69 113.70 107.77 3iii s SER 267 Ca 0.28 -0.07 0.41 0.00 0.70 0.00 0.00 55.95 57.27 3iii s SER 267 Cb -0.07 -0.13 2.21 0.00 -1.71 0.00 0.00 66.02 66.33 3iii s SER 267 CO 0.16 0.01 2.26 -0.50 1.20 0.00 0.00 173.24 176.37 3iii h TRP 268 N 6.40 0.00 -0.01 3.44 -0.00 -1.49 -3.20 115.95 121.09 3iii h TRP 268 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.57 3iii h TRP 268 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.34 3iii h TRP 268 CO 0.44 0.00 -0.01 0.43 -0.00 0.00 0.00 178.44 179.30 3iii n SER 269 N -2.97 1.34 -1.52 -3.49 7.64 -1.26 -4.18 113.62 109.18 3iii n SER 269 Ca -0.03 -1.44 -0.10 0.00 1.01 0.00 0.00 58.87 58.32 3iii n SER 269 Cb 0.08 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.38 3iii n SER 269 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3iii n THR 270 N 0.04 2.23 -2.12 0.44 5.66 -1.21 -2.54 114.28 116.79 3iii n THR 270 Ca 0.19 -3.65 -0.42 0.00 -3.05 0.00 0.00 64.05 57.12 3iii n THR 270 Cb 0.33 -0.57 -0.03 0.00 -1.55 0.00 0.00 70.33 68.52 3iii n THR 270 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 3iii s GLN 271 N -3.33 4.23 0.00 1.09 -0.21 -1.26 -1.80 119.66 118.38 3iii s GLN 271 Ca 0.44 2.08 0.00 0.00 0.02 0.00 0.00 55.36 57.90 3iii s GLN 271 Cb 0.39 -3.74 0.00 0.00 1.00 0.00 0.00 33.01 30.66 3iii s GLN 271 CO -0.01 -0.71 0.00 0.41 -2.12 0.00 0.00 175.29 172.86 3iii n GLY 272 N 3.87 0.92 0.00 3.09 0.00 -1.26 -4.44 105.19 107.37 3iii n GLY 272 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3iii n GLY 272 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3iii n LEU 273 N 0.00 0.00 0.12 0.99 7.94 -0.75 -4.62 117.00 120.69 3iii n LEU 273 Ca 0.00 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.02 3iii n LEU 273 Cb 0.00 0.00 0.15 0.00 0.53 0.00 0.00 43.42 44.10 3iii n LEU 273 CO 0.00 0.00 0.44 0.45 -1.11 0.00 0.00 177.39 177.17 3iii h HIS 274 N 0.00 0.00 0.12 1.96 3.86 -1.82 -3.40 115.15 115.87 3iii h HIS 274 Ca 0.00 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 3iii h HIS 274 Cb 0.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 3iii h HIS 274 CO 0.00 0.00 -0.14 -0.97 0.86 0.00 0.00 177.93 177.68 3iii h ASN 275 N 0.00 -0.37 -0.19 2.45 -0.73 -1.73 -0.66 115.58 114.35 3iii h ASN 275 Ca 0.00 0.04 0.03 0.00 1.87 0.00 0.00 56.30 58.24 3iii h ASN 275 Cb 0.89 0.13 -0.03 0.00 0.27 0.00 0.00 38.32 39.59 3iii h ASN 275 CO 0.00 -0.21 0.02 -0.09 -0.37 0.00 0.00 177.43 176.78 3iii h ARG 276 N -0.29 0.09 0.00 6.67 2.43 -1.84 -2.47 114.38 118.96 3iii h ARG 276 Ca 0.01 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 3iii h ARG 276 Cb 0.29 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 3iii h ARG 276 CO -0.05 0.06 -0.31 0.78 -1.51 0.00 0.00 179.97 178.94 3iii h GLY 277 N 0.09 0.00 0.96 2.80 0.00 -1.81 -1.12 103.07 103.99 3iii h GLY 277 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 3iii h GLY 277 CO -0.13 0.00 0.17 1.76 0.00 0.00 0.00 176.54 178.34 3iii h SER 278 N 0.00 0.38 -0.32 0.19 0.02 -0.66 0.54 113.55 113.69 3iii h SER 278 Ca -0.00 -0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 60.75 3iii h SER 278 Cb 1.05 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 3iii h SER 278 CO 0.04 0.34 -0.28 -0.26 -1.14 0.00 0.00 176.83 175.54 3iii h PHE 279 N 0.38 0.89 -1.00 3.45 0.04 -1.31 -2.52 116.94 116.87 3iii h PHE 279 Ca 0.11 -0.26 0.08 0.00 2.80 0.00 0.00 57.97 60.70 3iii h PHE 279 Cb 0.05 -0.19 -0.07 0.00 2.20 0.00 0.00 35.95 37.94 3iii h PHE 279 CO -0.03 1.01 0.64 0.93 -0.60 0.00 0.00 178.31 180.26 3iii h GLU 280 N 0.52 1.11 -0.10 1.51 4.39 -1.01 0.08 114.58 121.07 3iii h GLU 280 Ca 0.06 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 3iii h GLU 280 Cb 0.84 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 3iii h GLU 280 CO 0.07 0.73 0.04 0.78 -1.16 0.00 0.00 179.01 179.48 3iii h GLY 281 N 1.14 0.17 0.98 -3.84 0.00 -0.75 0.53 103.07 101.30 3iii h GLY 281 Ca 0.45 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.68 3iii h GLY 281 CO -0.19 0.08 0.28 -2.75 0.00 0.00 0.00 176.54 173.96 3iii h PHE 282 N 0.02 0.68 -0.18 5.60 3.57 -1.13 -1.78 116.94 123.72 3iii h PHE 282 Ca 0.03 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 3iii h PHE 282 Cb 0.16 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 3iii h PHE 282 CO -0.02 0.50 -0.02 0.87 -2.23 0.00 0.00 178.31 177.40 3iii h LYS 283 N 0.66 0.33 0.00 1.11 1.57 -0.77 -3.33 116.57 116.15 3iii h LYS 283 Ca 0.18 -0.12 -0.13 0.00 -1.87 0.00 0.00 60.65 58.71 3iii h LYS 283 Cb 0.04 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3iii h LYS 283 CO -0.03 0.58 -1.09 1.96 -0.57 0.00 0.00 179.45 180.30 3iii h GLN 284 N 0.06 0.00 -6.49 3.15 4.20 -0.90 -3.47 115.11 111.66 3iii h GLN 284 Ca 0.05 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.15 3iii h GLN 284 Cb 0.44 0.00 0.10 0.00 0.30 0.00 0.00 27.48 28.32 3iii h GLN 284 CO 0.01 0.32 0.26 0.00 -0.67 0.00 0.00 178.83 178.75 3iii n ALA 285 N -2.32 -0.00 1.10 3.87 0.00 -0.67 -3.58 120.51 118.90 3iii n ALA 285 Ca -0.05 0.40 0.14 0.00 0.00 0.00 0.00 53.44 53.93 3iii n ALA 285 Cb 0.78 -2.08 0.57 0.00 0.00 0.00 0.00 19.45 18.73 3iii n ALA 285 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iii n ALA 286 N 0.68 2.61 -1.64 0.00 0.00 0.36 -4.94 120.51 117.58 3iii n ALA 286 Ca 0.10 -0.17 -0.60 0.00 0.00 0.00 0.00 53.44 52.78 3iii n ALA 286 Cb 0.31 -1.40 -0.08 0.00 0.00 0.00 0.00 19.45 18.28 3iii n ALA 286 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3iii n SER 287 N -1.42 1.20 0.23 0.00 7.64 -0.49 -4.85 113.62 115.94 3iii n SER 287 Ca 0.08 1.14 0.15 0.00 1.01 0.00 0.00 58.87 61.26 3iii n SER 287 Cb 0.32 -1.01 0.56 0.00 -1.01 0.00 0.00 64.21 63.06 3iii n SER 287 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3iii h GLU 288 N 4.81 0.00 -3.81 1.43 5.08 -1.90 -3.39 114.58 116.80 3iii h GLU 288 Ca -0.47 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.27 3iii h GLU 288 Cb 1.37 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.22 3iii h GLU 288 CO 0.84 0.00 -0.73 -1.21 -1.00 0.00 0.00 179.01 176.91 3iii s GLU 289 N -3.50 1.19 -0.02 2.33 2.02 -1.26 -5.09 118.70 114.37 3iii s GLU 289 Ca 0.03 -1.66 -0.05 0.00 0.02 0.00 0.00 54.97 53.31 3iii s GLU 289 Cb 0.09 -2.58 0.00 0.00 0.10 0.00 0.00 34.13 31.74 3iii s GLU 289 CO 0.54 -1.02 0.11 -1.59 0.02 0.00 0.00 175.26 173.32 3iii s LYS 290 N 0.97 0.30 0.05 1.61 -2.85 -1.26 -1.39 119.74 117.17 3iii s LYS 290 Ca 0.12 -0.17 0.02 0.00 -1.00 0.00 0.00 55.97 54.94 3iii s LYS 290 Cb -0.20 0.13 -0.03 0.00 -2.06 0.00 0.00 37.83 35.67 3iii s LYS 290 CO -0.12 -0.06 -0.07 -1.58 0.10 0.00 0.00 175.35 173.61 3iii s TRP 291 N -0.74 0.67 -0.03 1.78 0.51 0.52 -4.82 118.94 116.83 3iii s TRP 291 Ca -0.08 -0.57 0.03 0.00 -2.12 0.00 0.00 56.10 53.36 3iii s TRP 291 Cb -0.05 -0.40 0.00 0.00 -0.81 0.00 0.00 33.47 32.21 3iii s TRP 291 CO 0.01 -0.10 -0.12 -1.17 -0.51 0.00 0.00 176.95 175.05 3iii s LEU 292 N -1.79 1.82 -0.12 2.99 2.96 0.45 -0.84 118.68 124.16 3iii s LEU 292 Ca -0.07 -0.25 0.02 0.00 -0.22 0.00 0.00 54.13 53.61 3iii s LEU 292 Cb -0.08 -0.71 0.01 0.00 0.50 0.00 0.00 46.19 45.91 3iii s LEU 292 CO -0.01 0.09 -0.19 -0.47 -1.32 0.00 0.00 176.35 174.46 3iii s TYR 293 N 0.16 2.36 -0.10 5.38 5.04 0.16 -1.11 117.35 129.25 3iii s TYR 293 Ca -0.04 -1.15 0.04 0.00 -2.44 0.00 0.00 57.07 53.48 3iii s TYR 293 Cb -0.10 -1.64 0.00 0.00 0.35 0.00 0.00 41.96 40.57 3iii s TYR 293 CO 0.01 -0.55 -0.23 0.08 -1.34 0.00 0.00 175.55 173.53 3iii s VAL 294 N 0.87 1.96 0.18 3.14 1.01 0.11 -1.75 120.40 125.92 3iii s VAL 294 Ca -0.07 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 60.99 3iii s VAL 294 Cb -0.15 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 3iii s VAL 294 CO -0.01 0.54 -0.07 -1.38 0.00 0.00 0.00 175.10 174.17 3iii s HIS 295 N 0.40 1.39 -0.44 5.22 -3.43 -1.10 -0.98 115.29 116.35 3iii s HIS 295 Ca -0.18 -0.81 0.04 0.00 -0.80 0.00 0.00 55.06 53.31 3iii s HIS 295 Cb -0.18 -0.74 0.46 0.00 -1.43 0.00 0.00 32.58 30.70 3iii s HIS 295 CO 0.08 0.05 1.55 0.41 -2.00 0.00 0.00 174.74 174.83 3iii n GLY 296 N -0.28 6.07 0.00 -1.38 0.00 -1.26 -1.33 105.19 107.01 3iii n GLY 296 Ca -0.08 -2.40 0.00 0.00 0.00 0.00 0.00 46.02 43.54 3iii n GLY 296 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iii n ARG 297 N -0.83 3.07 -3.06 1.61 5.12 -1.26 -4.56 116.66 116.75 3iii n ARG 297 Ca 0.51 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 56.12 3iii n ARG 297 Cb 0.86 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 32.12 3iii n ARG 297 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3iii s LYS 298 N -0.13 3.85 0.00 5.56 1.02 -1.26 -4.62 119.74 124.15 3iii s LYS 298 Ca 0.00 0.48 0.00 0.00 0.02 0.00 0.00 55.97 56.47 3iii s LYS 298 Cb 0.00 -2.45 0.00 0.00 -0.52 0.00 0.00 37.83 34.86 3iii s LYS 298 CO 0.00 0.09 0.65 -1.91 -0.92 0.00 0.00 175.35 173.26 3iii n GLU 299 N -0.81 0.00 0.04 1.68 2.13 -1.26 -1.75 120.64 120.66 3iii n GLU 299 Ca 0.02 0.50 -0.06 0.00 0.66 0.00 0.00 57.16 58.28 3iii n GLU 299 Cb 0.53 -1.32 0.13 0.00 0.27 0.00 0.00 31.44 31.05 3iii n GLU 299 CO 0.00 0.00 0.00 -1.49 -0.41 0.00 0.00 177.13 175.23 3iii h TRP 300 N 0.00 0.51 -0.64 4.31 6.55 -1.97 -2.64 115.95 122.09 3iii h TRP 300 Ca 0.00 -0.16 0.09 0.00 0.95 0.00 0.00 58.89 59.77 3iii h TRP 300 Cb 0.00 -0.11 -0.07 0.00 -0.86 0.00 0.00 29.16 28.12 3iii h TRP 300 CO 0.15 0.81 0.27 1.49 -1.05 0.00 0.00 178.44 180.11 3iii h GLU 301 N 0.34 0.47 -0.13 0.49 4.81 -1.77 -2.36 114.58 116.44 3iii h GLU 301 Ca 0.02 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.05 3iii h GLU 301 Cb 0.95 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 3iii h GLU 301 CO 0.08 0.31 -0.64 0.77 -0.73 0.00 0.00 179.01 178.80 3iii h SER 302 N 0.48 0.54 -0.64 1.04 0.02 -1.17 -1.92 113.55 111.90 3iii h SER 302 Ca 0.32 -0.32 0.03 0.00 -0.84 0.00 0.00 61.79 60.97 3iii h SER 302 Cb 0.36 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 3iii h SER 302 CO -0.28 1.04 0.40 0.22 -1.14 0.00 0.00 176.83 177.07 3iii h TYR 303 N 0.34 0.75 -0.01 3.45 3.20 -1.12 -2.95 116.97 120.62 3iii h TYR 303 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3iii h TYR 303 Cb 1.20 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.23 3iii h TYR 303 CO 0.04 0.43 -0.24 0.66 -1.64 0.00 0.00 178.16 177.41 3iii n TYR 304 N -4.70 0.00 -1.92 -3.82 4.01 -0.92 -4.14 117.16 105.67 3iii n TYR 304 Ca 0.06 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.39 3iii n TYR 304 Cb 0.08 -0.08 -0.01 0.00 -0.31 0.00 0.00 39.34 39.02 3iii n TYR 304 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3iii s ALA 305 N -2.40 3.56 0.24 -0.72 0.00 -0.73 -4.77 121.76 116.94 3iii s ALA 305 Ca 0.26 1.46 -0.05 0.00 0.00 0.00 0.00 51.96 53.63 3iii s ALA 305 Cb 0.19 -3.57 0.39 0.00 0.00 0.00 0.00 23.12 20.14 3iii s ALA 305 CO 0.49 -0.90 1.80 -0.09 0.00 0.00 0.00 175.76 177.06 3iii h ARG 306 N 3.31 0.71 -0.25 0.00 9.65 -1.90 -0.08 114.38 125.82 3iii h ARG 306 Ca -0.50 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.33 3iii h ARG 306 Cb 1.23 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.64 3iii h ARG 306 CO 0.66 0.47 0.12 1.05 2.80 0.00 0.00 179.97 185.07 3iii h GLU 307 N 0.73 0.35 0.00 0.20 4.11 -1.94 -0.70 114.58 117.33 3iii h GLU 307 Ca 0.39 -0.03 -0.21 0.00 0.07 0.00 0.00 59.36 59.58 3iii h GLU 307 Cb 0.39 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 3iii h GLU 307 CO -0.26 0.27 -1.05 -0.91 0.07 0.00 0.00 179.01 177.13 3iii h ASN 308 N 0.35 0.00 -0.73 3.06 2.35 -1.33 -2.11 115.58 117.18 3iii h ASN 308 Ca 0.09 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.79 3iii h ASN 308 Cb 0.04 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 3iii h ASN 308 CO -0.01 0.93 0.26 -0.07 -1.65 0.00 0.00 177.43 176.88 3iii h LEU 309 N 0.00 1.04 -0.83 1.61 3.38 -0.80 -0.47 115.31 119.24 3iii h LEU 309 Ca -0.05 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.62 3iii h LEU 309 Cb 1.75 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 3iii h LEU 309 CO 0.11 0.95 -0.44 -0.33 0.09 0.00 0.00 178.44 178.82 3iii h GLU 310 N 1.09 0.31 -0.11 1.13 4.39 -1.05 -0.91 114.58 119.43 3iii h GLU 310 Ca 0.24 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 3iii h GLU 310 Cb 0.26 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3iii h GLU 310 CO -0.01 0.70 0.00 -0.09 -1.16 0.00 0.00 179.01 178.45 3iii h ARG 311 N 0.25 0.20 -0.68 2.33 2.43 -1.07 -0.30 114.38 117.54 3iii h ARG 311 Ca 0.02 -0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.22 3iii h ARG 311 Cb 0.89 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.35 3iii h ARG 311 CO 0.07 0.44 0.33 1.96 -1.51 0.00 0.00 179.97 181.26 3iii h GLN 312 N -0.07 0.56 -0.29 0.20 4.20 -0.96 -1.96 115.11 116.78 3iii h GLN 312 Ca 0.03 -0.03 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 3iii h GLN 312 Cb 0.35 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 3iii h GLN 312 CO 0.01 0.37 -0.41 -0.22 -0.67 0.00 0.00 178.83 177.90 3iii h LYS 313 N 0.57 0.72 -0.72 1.46 3.64 -0.96 -1.03 116.57 120.26 3iii h LYS 313 Ca 0.33 -0.38 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 3iii h LYS 313 Cb 0.35 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 3iii h LYS 313 CO -0.26 1.00 0.26 1.03 -2.27 0.00 0.00 179.45 179.21 3iii h SER 314 N 0.59 1.01 -0.23 4.20 0.87 -0.55 0.28 113.55 119.71 3iii h SER 314 Ca 0.05 -0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.40 3iii h SER 314 Cb 0.96 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.65 3iii h SER 314 CO 0.09 0.93 0.07 0.15 -0.53 0.00 0.00 176.83 177.54 3iii h PHE 315 N 1.04 0.37 -0.07 2.24 3.57 -1.19 -2.07 116.94 120.83 3iii h PHE 315 Ca 0.24 -0.04 -0.14 0.00 3.53 0.00 0.00 57.97 61.56 3iii h PHE 315 Cb 0.25 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 3iii h PHE 315 CO 0.02 0.44 -0.59 0.74 -2.23 0.00 0.00 178.31 176.69 3iii h PHE 316 N 0.20 0.29 -0.58 0.41 0.04 -0.96 -1.23 116.94 115.11 3iii h PHE 316 Ca 0.07 -0.11 -0.05 0.00 2.80 0.00 0.00 57.97 60.69 3iii h PHE 316 Cb 0.24 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.31 3iii h PHE 316 CO 0.00 0.76 0.16 -0.44 -0.60 0.00 0.00 178.31 178.19 3iii h ASP 317 N 0.17 0.82 0.04 2.17 3.32 -0.33 0.47 116.42 123.07 3iii h ASP 317 Ca -0.00 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 3iii h ASP 317 Cb 1.08 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.42 3iii h ASP 317 CO 0.09 0.79 -0.02 0.15 -1.72 0.00 0.00 179.24 178.53 3iii h PHE 318 N 0.85 -0.05 0.09 4.55 3.57 -0.97 -1.51 116.94 123.47 3iii h PHE 318 Ca 0.19 -0.00 -0.31 0.00 3.53 0.00 0.00 57.97 61.37 3iii h PHE 318 Cb 0.28 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 3iii h PHE 318 CO 0.02 0.32 -1.67 1.88 -2.23 0.00 0.00 178.31 176.63 3iii h TYR 319 N -0.42 0.33 0.02 0.41 0.05 -1.07 -2.79 116.97 113.49 3iii h TYR 319 Ca -0.01 -0.24 -0.36 0.00 0.05 0.00 0.00 58.73 58.17 3iii h TYR 319 Cb 0.39 -0.01 -0.06 0.00 1.01 0.00 0.00 36.73 38.06 3iii h TYR 319 CO 0.05 1.37 -2.25 1.28 -1.05 0.00 0.00 178.16 177.56 3iii n LEU 320 N -3.35 1.33 0.01 3.88 4.77 0.16 -4.29 117.00 119.51 3iii n LEU 320 Ca -0.20 0.06 0.12 0.00 -0.03 0.00 0.00 56.01 55.96 3iii n LEU 320 Cb 1.04 -0.16 0.15 0.00 -2.33 0.00 0.00 43.42 42.12 3iii n LEU 320 CO 0.47 0.65 0.28 0.29 -1.33 0.00 0.00 177.39 177.76 3iii n LYS 321 N -3.04 0.08 -3.62 3.23 5.02 -1.03 -4.69 118.16 114.11 3iii n LYS 321 Ca -0.34 0.01 -0.26 0.00 -2.02 0.00 0.00 58.31 55.70 3iii n LYS 321 Cb 1.08 -1.53 0.05 0.00 -0.02 0.00 0.00 35.03 34.60 3iii n LYS 321 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3iii n GLU 322 N -1.64 -6.42 -3.22 1.97 1.02 -0.92 -4.98 120.64 106.45 3iii n GLU 322 Ca 0.04 0.74 -0.39 0.00 -0.02 0.00 0.00 57.16 57.53 3iii n GLU 322 Cb 0.36 -5.69 -0.06 0.00 -0.02 0.00 0.00 31.44 26.03 3iii n GLU 322 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3iii s GLU 323 N -6.33 4.28 -1.36 3.49 2.12 -0.61 -4.98 118.70 115.31 3iii s GLU 323 Ca 0.57 0.79 -0.12 0.00 0.36 0.00 0.00 54.97 56.58 3iii s GLU 323 Cb -0.27 -3.27 0.11 0.00 0.26 0.00 0.00 34.13 30.96 3iii s GLU 323 CO 0.70 0.56 2.03 0.09 -0.54 0.00 0.00 175.26 178.10 3iii n ASN 324 N 1.96 4.53 -1.86 -1.70 3.02 -1.26 -4.35 115.26 115.61 3iii n ASN 324 Ca -0.09 -2.98 0.00 0.00 -0.03 0.00 0.00 54.58 51.48 3iii n ASN 324 Cb 0.51 -1.57 0.00 0.00 -0.61 0.00 0.00 39.78 38.11 3iii n ASN 324 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3iii n ASN 325 N 5.00 0.00 -2.05 6.41 0.23 -1.26 -4.98 115.26 118.61 3iii n ASN 325 Ca 0.45 -0.89 -0.23 0.00 -0.53 0.00 0.00 54.58 53.39 3iii n ASN 325 Cb 0.38 0.00 0.15 0.00 -2.08 0.00 0.00 39.78 38.23 3iii n ASN 325 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3iii n ASP 326 N -2.66 4.44 -0.25 0.53 8.00 -1.26 -4.66 116.55 120.70 3iii n ASP 326 Ca 0.00 -3.69 0.03 0.00 0.71 0.00 0.00 54.79 51.83 3iii n ASP 326 Cb 0.00 -0.81 0.15 0.00 -0.02 0.00 0.00 41.12 40.44 3iii n ASP 326 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 3iii h TRP 327 N 1.27 0.60 0.00 1.24 2.91 -1.94 -0.95 115.95 119.09 3iii h TRP 327 Ca 0.55 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.60 3iii h TRP 327 Cb 2.14 -0.16 0.00 0.00 -0.51 0.00 0.00 29.16 30.63 3iii h TRP 327 CO 1.43 0.18 0.00 1.63 -1.03 0.00 0.00 178.44 180.65 3iii n LYS 328 N -4.90 0.30 0.25 2.65 5.02 -1.26 -1.08 118.16 119.14 3iii n LYS 328 Ca 0.12 0.10 0.17 0.00 -2.02 0.00 0.00 58.31 56.68 3iii n LYS 328 Cb 0.32 -1.50 0.70 0.00 -0.02 0.00 0.00 35.03 34.53 3iii n LYS 328 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3iii h ASP 329 N 0.00 0.00 -2.63 4.39 3.32 -1.54 -3.45 116.42 116.51 3iii h ASP 329 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 3iii h ASP 329 Cb 0.13 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.73 3iii h ASP 329 CO 0.00 0.00 1.04 0.41 -1.72 0.00 0.00 179.24 178.97 3iii n THR 330 N -2.89 0.09 -1.71 0.35 -1.04 -0.24 -4.95 114.28 103.89 3iii n THR 330 Ca 0.00 -0.02 -0.40 0.00 -2.04 0.00 0.00 64.05 61.60 3iii n THR 330 Cb 0.26 -2.04 0.03 0.00 -1.82 0.00 0.00 70.33 66.76 3iii n THR 330 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3iii n PRO 331 N 4.38 1.80 0.27 -2.82 -0.02 -1.26 -4.88 135.00 132.47 3iii n PRO 331 Ca 0.16 0.65 0.14 0.00 -2.02 0.00 0.00 63.50 62.44 3iii n PRO 331 Cb 0.36 -2.45 0.78 0.00 -0.02 0.00 0.00 33.50 32.17 3iii n PRO 331 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3iii h HIS 332 N 1.76 0.00 -3.44 6.00 3.86 -1.81 -3.41 115.15 118.11 3iii h HIS 332 Ca -0.49 0.00 -0.43 0.00 -1.16 0.00 0.00 60.37 58.29 3iii h HIS 332 Cb 1.30 0.00 -0.34 0.00 1.06 0.00 0.00 27.41 29.43 3iii h HIS 332 CO 0.46 0.09 -0.78 0.08 0.86 0.00 0.00 177.93 178.64 3iii s VAL 333 N -4.12 0.62 -0.10 2.45 1.01 -0.38 -0.41 120.40 119.48 3iii s VAL 333 Ca -0.03 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 61.82 3iii s VAL 333 Cb 0.13 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.87 3iii s VAL 333 CO 0.56 0.25 -0.21 -0.63 0.00 0.00 0.00 175.10 175.07 3iii s ILE 334 N 0.92 1.85 0.01 2.22 1.01 -0.26 -0.79 121.20 126.15 3iii s ILE 334 Ca -0.11 -0.89 -0.02 0.00 0.00 0.00 0.00 60.65 59.63 3iii s ILE 334 Cb -0.14 -1.62 -0.01 0.00 0.01 0.00 0.00 42.46 40.70 3iii s ILE 334 CO 0.00 0.51 0.03 -0.72 0.00 0.00 0.00 174.94 174.77 3iii s TYR 335 N 0.51 0.13 -0.01 3.97 -0.85 -0.26 0.04 117.35 120.89 3iii s TYR 335 Ca -0.16 -0.27 -0.26 0.00 -0.52 0.00 0.00 57.07 55.86 3iii s TYR 335 Cb -0.17 -0.10 -0.04 0.00 0.38 0.00 0.00 41.96 42.03 3iii s TYR 335 CO 0.06 -0.17 0.83 -2.00 -1.52 0.00 0.00 175.55 172.74 3iii s GLU 336 N -1.06 4.51 -0.48 -3.49 2.12 -0.15 -0.73 118.70 119.41 3iii s GLU 336 Ca -0.12 1.14 -0.19 0.00 0.36 0.00 0.00 54.97 56.17 3iii s GLU 336 Cb -0.07 -3.43 0.05 0.00 0.26 0.00 0.00 34.13 30.94 3iii s GLU 336 CO -0.00 0.08 0.58 0.08 -0.54 0.00 0.00 175.26 175.46 3iii s VAL 337 N 0.63 4.94 0.20 3.70 1.01 0.72 -4.64 120.40 126.96 3iii s VAL 337 Ca 0.43 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 3iii s VAL 337 Cb -0.20 -4.23 -0.08 0.00 0.00 0.00 0.00 36.38 31.87 3iii s VAL 337 CO 0.23 -0.71 1.05 -0.13 0.00 0.00 0.00 175.10 175.55 3iii s ARG 338 N 2.47 4.66 -0.13 2.72 0.52 -0.44 -2.07 118.95 126.68 3iii s ARG 338 Ca 0.14 1.66 -0.09 0.00 -0.52 0.00 0.00 55.73 56.92 3iii s ARG 338 Cb -0.19 -3.28 -0.06 0.00 0.52 0.00 0.00 34.95 31.95 3iii s ARG 338 CO 0.12 0.20 -0.20 -3.47 0.02 0.00 0.00 175.30 171.96 3iii n ASP 339 N 2.07 1.25 -3.14 0.23 2.03 0.04 -0.72 116.55 118.31 3iii n ASP 339 Ca 0.01 0.21 -0.19 0.00 0.52 0.00 0.00 54.79 55.35 3iii n ASP 339 Cb 0.46 -0.50 -0.06 0.00 -0.72 0.00 0.00 41.12 40.31 3iii n ASP 339 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3iii n GLN 340 N -3.80 0.47 -1.67 -0.67 1.13 -0.81 -4.89 117.38 107.14 3iii n GLN 340 Ca -0.25 -2.83 -0.42 0.00 -1.94 0.00 0.00 57.00 51.56 3iii n GLN 340 Cb 0.60 1.95 -0.03 0.00 0.11 0.00 0.00 30.24 32.88 3iii n GLN 340 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3iii n PHE 341 N -0.64 2.54 -2.71 1.08 7.35 -1.22 -1.43 117.46 122.44 3iii n PHE 341 Ca 0.01 -0.29 -0.19 0.00 -0.76 0.00 0.00 57.45 56.22 3iii n PHE 341 Cb 0.51 -2.78 0.00 0.00 0.35 0.00 0.00 39.48 37.56 3iii n PHE 341 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 3iii n TYR 342 N 6.89 -1.49 -3.63 -5.13 4.02 -1.26 -4.96 117.16 111.60 3iii n TYR 342 Ca 0.19 0.20 -0.20 0.00 -0.01 0.00 0.00 57.90 58.09 3iii n TYR 342 Cb 0.39 -3.65 -0.16 0.00 -0.02 0.00 0.00 39.34 35.91 3iii n TYR 342 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 3iii s LYS 343 N -5.35 0.04 0.11 -0.72 2.20 -0.52 -5.12 119.74 110.38 3iii s LYS 343 Ca 0.14 0.33 -0.17 0.00 -0.36 0.00 0.00 55.97 55.90 3iii s LYS 343 Cb -0.06 -0.80 0.06 0.00 -1.51 0.00 0.00 37.83 35.52 3iii s LYS 343 CO 0.17 -0.44 0.82 0.41 -0.36 0.00 0.00 175.35 175.95 3iii n GLY 344 N 5.31 0.67 3.12 5.54 0.00 -1.26 -0.78 105.19 117.79 3iii n GLY 344 Ca -0.05 -1.08 -0.25 0.00 0.00 0.00 0.00 46.02 44.64 3iii n GLY 344 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3iii s GLU 345 N -2.03 1.71 -0.05 1.61 2.12 -0.88 -4.94 118.70 116.23 3iii s GLU 345 Ca 0.19 -0.57 -0.17 0.00 0.36 0.00 0.00 54.97 54.77 3iii s GLU 345 Cb -0.02 -1.49 -0.05 0.00 0.26 0.00 0.00 34.13 32.84 3iii s GLU 345 CO 0.03 0.22 0.47 -0.06 -0.54 0.00 0.00 175.26 175.38 3iii s PHE 346 N 0.08 3.62 0.39 5.30 0.08 -1.26 -0.20 117.98 125.99 3iii s PHE 346 Ca -0.04 0.98 0.04 0.00 0.12 0.00 0.00 56.93 58.02 3iii s PHE 346 Cb -0.11 -2.47 -0.04 0.00 -0.57 0.00 0.00 43.02 39.82 3iii s PHE 346 CO 0.02 0.37 0.07 0.15 -0.10 0.00 0.00 175.22 175.73 3iii s LYS 347 N -0.13 1.86 0.07 0.44 1.02 0.09 -4.96 119.74 118.13 3iii s LYS 347 Ca 0.26 -2.10 0.02 0.00 0.02 0.00 0.00 55.97 54.16 3iii s LYS 347 Cb -0.16 -0.93 -0.04 0.00 -0.52 0.00 0.00 37.83 36.18 3iii s LYS 347 CO 0.13 -0.31 -0.07 -1.54 -0.92 0.00 0.00 175.35 172.64 3iii s SER 348 N -3.61 0.99 0.24 2.83 1.04 -1.26 -1.10 113.70 112.84 3iii s SER 348 Ca 0.27 -0.83 -0.09 0.00 0.48 0.00 0.00 55.95 55.78 3iii s SER 348 Cb 0.05 0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.24 3iii s SER 348 CO 0.13 -0.37 0.38 0.00 0.98 0.00 0.00 173.24 174.36 3iii s ALA 349 N -2.78 0.23 -0.87 5.32 0.00 0.03 -5.00 121.76 118.68 3iii s ALA 349 Ca 0.03 -1.16 0.24 0.00 0.00 0.00 0.00 51.96 51.08 3iii s ALA 349 Cb -0.00 1.17 0.35 0.00 0.00 0.00 0.00 23.12 24.63 3iii s ALA 349 CO -0.03 -0.78 1.30 -1.13 0.00 0.00 0.00 175.76 175.12 3iii n SER 350 N -0.43 0.59 -3.50 0.00 3.41 -1.26 -1.25 113.62 111.19 3iii n SER 350 Ca -0.00 -0.23 -0.14 0.00 -0.26 0.00 0.00 58.87 58.24 3iii n SER 350 Cb 0.63 0.38 -0.04 0.00 -0.26 0.00 0.00 64.21 64.92 3iii n SER 350 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iii s ALA 351 N -3.06 -1.53 -0.05 7.33 0.00 -1.26 -4.65 121.76 118.54 3iii s ALA 351 Ca 0.09 0.70 0.03 0.00 0.00 0.00 0.00 51.96 52.77 3iii s ALA 351 Cb 0.16 0.52 0.01 0.00 0.00 0.00 0.00 23.12 23.81 3iii s ALA 351 CO 0.73 -0.59 -0.12 0.12 0.00 0.00 0.00 175.76 175.90 3iii s PHE 352 N -2.76 1.38 0.60 0.00 5.36 -1.26 -3.50 117.98 117.80 3iii s PHE 352 Ca -0.04 -0.46 -0.18 0.00 -0.96 0.00 0.00 56.93 55.29 3iii s PHE 352 Cb -0.01 -1.00 -0.05 0.00 -0.34 0.00 0.00 43.02 41.63 3iii s PHE 352 CO -0.04 -0.22 0.93 -2.30 -1.46 0.00 0.00 175.22 172.13 3iii n PRO 353 N 3.60 0.87 -1.67 10.12 -0.02 -1.26 -4.81 135.00 141.83 3iii n PRO 353 Ca -0.21 0.34 -0.46 0.00 -2.02 0.00 0.00 63.50 61.14 3iii n PRO 353 Cb 0.52 -2.13 -0.04 0.00 -0.02 0.00 0.00 33.50 31.83 3iii n PRO 353 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3iii n LEU 354 N -0.67 3.23 0.28 2.45 4.32 -1.23 -4.88 117.00 120.51 3iii n LEU 354 Ca 0.14 1.05 0.16 0.00 -0.02 0.00 0.00 56.01 57.34 3iii n LEU 354 Cb 0.47 -1.42 0.79 0.00 -1.62 0.00 0.00 43.42 41.64 3iii n LEU 354 CO 0.49 -0.21 1.01 1.55 -1.22 0.00 0.00 177.39 179.02 3iii h PRO 355 N 6.83 0.00 -0.67 3.23 0.13 -1.98 -1.88 132.00 137.66 3iii h PRO 355 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3iii h PRO 355 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3iii h PRO 355 CO 0.91 0.06 0.00 0.27 -0.23 0.00 0.00 178.00 179.00 3iii n ASN 356 N -3.27 3.73 -4.75 1.44 6.94 -1.26 -4.96 115.26 113.13 3iii n ASN 356 Ca -0.01 -2.46 -0.41 0.00 -0.02 0.00 0.00 54.58 51.69 3iii n ASN 356 Cb 0.25 -0.55 -0.04 0.00 -2.36 0.00 0.00 39.78 37.09 3iii n ASN 356 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3iii s ALA 357 N -1.95 3.44 -0.35 -2.53 0.00 -0.71 -4.63 121.76 115.02 3iii s ALA 357 Ca 0.35 0.96 -0.03 0.00 0.00 0.00 0.00 51.96 53.24 3iii s ALA 357 Cb 0.25 -3.40 0.07 0.00 0.00 0.00 0.00 23.12 20.04 3iii s ALA 357 CO 0.13 -0.34 0.11 -1.21 0.00 0.00 0.00 175.76 174.45 3iii s GLU 358 N -0.69 2.29 -0.35 0.00 2.02 0.97 -4.91 118.70 118.03 3iii s GLU 358 Ca 0.50 -1.48 -0.29 0.00 0.02 0.00 0.00 54.97 53.72 3iii s GLU 358 Cb -0.33 -3.41 0.01 0.00 0.10 0.00 0.00 34.13 30.51 3iii s GLU 358 CO 0.39 -0.82 1.17 0.71 0.02 0.00 0.00 175.26 176.73 3iii s TYR 359 N 1.24 2.91 -0.12 1.61 2.02 -1.26 -2.12 117.35 121.63 3iii s TYR 359 Ca 0.01 0.98 0.02 0.00 -0.37 0.00 0.00 57.07 57.71 3iii s TYR 359 Cb -0.21 -3.94 0.01 0.00 -0.40 0.00 0.00 41.96 37.42 3iii s TYR 359 CO -0.02 -1.20 -0.17 0.99 -1.57 0.00 0.00 175.55 173.58 3iii s THR 360 N 4.11 1.67 0.21 -0.71 2.01 -0.34 -4.88 115.64 117.70 3iii s THR 360 Ca 0.50 -0.75 -0.27 0.00 0.31 0.00 0.00 61.69 61.48 3iii s THR 360 Cb -0.12 -1.51 -0.08 0.00 0.01 0.00 0.00 72.50 70.79 3iii s THR 360 CO 0.22 0.47 0.84 -2.16 -0.69 0.00 0.00 174.62 173.31 3iii s PRO 361 N 0.91 4.66 -0.20 4.92 0.04 -1.26 -1.25 135.00 142.82 3iii s PRO 361 Ca -0.07 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.24 3iii s PRO 361 Cb -0.15 -3.22 0.02 0.00 0.04 0.00 0.00 34.50 31.19 3iii s PRO 361 CO -0.01 0.53 -0.15 -0.51 0.04 0.00 0.00 177.00 176.89 3iii s LEU 362 N -1.26 2.46 0.01 -3.56 1.43 0.12 -4.76 118.68 113.13 3iii s LEU 362 Ca 0.39 -0.68 -0.25 0.00 -1.03 0.00 0.00 54.13 52.56 3iii s LEU 362 Cb -0.24 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.39 3iii s LEU 362 CO 0.28 -0.03 0.78 -0.31 0.23 0.00 0.00 176.35 177.30 3iii s TYR 363 N 1.31 3.69 0.30 0.29 2.02 0.47 -0.60 117.35 124.83 3iii s TYR 363 Ca 0.04 1.45 -0.27 0.00 -0.37 0.00 0.00 57.07 57.92 3iii s TYR 363 Cb -0.14 -2.85 -0.10 0.00 -0.40 0.00 0.00 41.96 38.47 3iii s TYR 363 CO -0.10 0.20 0.93 -0.51 -1.57 0.00 0.00 175.55 174.50 3iii s LEU 364 N 0.26 4.41 -0.22 -1.29 1.02 -0.73 -0.69 118.68 121.44 3iii s LEU 364 Ca 0.40 1.84 0.01 0.00 0.02 0.00 0.00 54.13 56.39 3iii s LEU 364 Cb -0.20 -3.90 0.05 0.00 0.02 0.00 0.00 46.19 42.16 3iii s LEU 364 CO 0.22 -0.01 -0.08 0.21 0.02 0.00 0.00 176.35 176.72 3iii s ASN 365 N -1.52 3.62 0.56 2.29 3.84 -0.23 -4.36 114.94 119.13 3iii s ASN 365 Ca 0.48 -1.03 0.33 0.00 0.21 0.00 0.00 52.86 52.85 3iii s ASN 365 Cb -0.20 -1.21 1.62 0.00 -0.55 0.00 0.00 41.25 40.91 3iii s ASN 365 CO 0.25 -0.19 2.10 0.00 -2.79 0.00 0.00 177.10 176.48 3iii h ALA 366 N 7.96 1.11 0.01 1.71 0.00 -1.88 -2.42 119.26 125.75 3iii h ALA 366 Ca -0.23 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.42 3iii h ALA 366 Cb 1.08 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3iii h ALA 366 CO 0.44 0.08 -0.91 0.93 0.00 0.00 0.00 179.25 179.79 3iii h GLU 367 N 0.00 0.26 0.00 0.00 5.08 -1.94 -3.38 114.58 114.60 3iii h GLU 367 Ca -0.00 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3iii h GLU 367 Cb 0.34 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3iii h GLU 367 CO 0.01 1.01 -0.01 0.27 -1.00 0.00 0.00 179.01 179.28 3iii n ASN 368 N -3.68 0.90 -3.49 1.42 0.23 -1.21 -5.03 115.26 104.41 3iii n ASN 368 Ca -0.05 -1.50 -0.19 0.00 -0.53 0.00 0.00 54.58 52.31 3iii n ASN 368 Cb 0.82 -0.02 0.09 0.00 -2.08 0.00 0.00 39.78 38.59 3iii n ASN 368 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 3iii n HIS 369 N -0.25 -2.38 -4.39 -2.53 8.25 -0.91 -4.96 115.22 108.05 3iii n HIS 369 Ca 0.00 0.96 -0.26 0.00 -0.26 0.00 0.00 57.72 58.16 3iii n HIS 369 Cb 0.40 -5.05 -0.12 0.00 1.12 0.00 0.00 29.99 26.34 3iii n HIS 369 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3iii s THR 370 N -3.36 2.16 -0.05 1.59 -4.23 -1.20 -1.91 115.64 108.64 3iii s THR 370 Ca 0.17 -1.92 0.01 0.00 -1.18 0.00 0.00 61.69 58.77 3iii s THR 370 Cb -0.07 -1.99 -0.03 0.00 1.34 0.00 0.00 72.50 71.74 3iii s THR 370 CO 0.73 -0.12 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.88 3iii s LEU 371 N -2.50 3.25 0.01 4.79 1.43 -0.33 -1.07 118.68 124.26 3iii s LEU 371 Ca 0.17 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 3iii s LEU 371 Cb -0.08 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 3iii s LEU 371 CO 0.08 0.34 -0.02 0.20 0.23 0.00 0.00 176.35 177.18 3iii s ASN 372 N -1.03 0.19 0.21 2.29 0.01 0.13 -4.57 114.94 112.17 3iii s ASN 372 Ca 0.14 -0.24 -0.10 0.00 -0.71 0.00 0.00 52.86 51.96 3iii s ASN 372 Cb -0.11 0.04 0.23 0.00 0.41 0.00 0.00 41.25 41.81 3iii s ASN 372 CO 0.04 -0.13 1.81 0.45 -1.51 0.00 0.00 177.10 177.76 3iii h HIS 373 N 5.45 0.68 -2.78 2.20 3.86 -1.88 0.13 115.15 122.81 3iii h HIS 373 Ca -0.28 0.02 -0.53 0.00 -1.16 0.00 0.00 60.37 58.42 3iii h HIS 373 Cb 1.21 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 29.45 3iii h HIS 373 CO 0.52 0.33 -0.34 0.00 0.86 0.00 0.00 177.93 179.30 3iii s ALA 374 N -6.10 3.84 0.67 2.45 0.00 -1.26 -4.76 121.76 116.60 3iii s ALA 374 Ca -0.13 -0.87 -0.16 0.00 0.00 0.00 0.00 51.96 50.80 3iii s ALA 374 Cb 0.16 -1.97 0.01 0.00 0.00 0.00 0.00 23.12 21.31 3iii s ALA 374 CO 0.76 0.41 1.18 0.15 0.00 0.00 0.00 175.76 178.26 3iii s LYS 375 N -3.40 2.55 -0.23 0.00 1.02 -1.26 -4.58 119.74 113.84 3iii s LYS 375 Ca 0.38 1.69 -0.12 0.00 0.02 0.00 0.00 55.97 57.93 3iii s LYS 375 Cb -0.11 -1.89 -0.05 0.00 -0.52 0.00 0.00 37.83 35.26 3iii s LYS 375 CO 0.29 -1.50 0.24 0.42 -0.92 0.00 0.00 175.35 173.88 3iii s ILE 376 N -1.96 5.30 0.16 2.17 -1.09 -1.26 -4.99 121.20 119.53 3iii s ILE 376 Ca 0.73 0.35 0.07 0.00 -2.23 0.00 0.00 60.65 59.57 3iii s ILE 376 Cb -0.27 -3.58 -0.16 0.00 -1.58 0.00 0.00 42.46 36.87 3iii s ILE 376 CO 0.41 0.30 1.36 0.77 -1.23 0.00 0.00 174.94 176.55 3iii h SER 377 N 7.55 0.06 -4.32 3.58 4.64 -1.93 0.10 113.55 123.23 3iii h SER 377 Ca -0.37 -0.05 -0.68 0.00 -0.47 0.00 0.00 61.79 60.22 3iii h SER 377 Cb 1.17 -0.02 -0.31 0.00 -0.31 0.00 0.00 62.40 62.93 3iii h SER 377 CO 0.67 0.93 -0.88 -0.94 -0.87 0.00 0.00 176.83 175.74 3iii s SER 378 N -6.79 2.96 -0.00 4.97 1.04 -1.26 -2.94 113.70 111.67 3iii s SER 378 Ca -0.00 -0.47 -0.30 0.00 0.48 0.00 0.00 55.95 55.65 3iii s SER 378 Cb 0.10 -0.55 -0.06 0.00 0.10 0.00 0.00 66.02 65.62 3iii s SER 378 CO 0.81 0.28 1.42 0.00 0.98 0.00 0.00 173.24 176.73 3iii s ALA 379 N -0.39 3.59 0.16 5.32 0.00 -1.25 -4.15 121.76 125.04 3iii s ALA 379 Ca 0.04 0.89 0.02 0.00 0.00 0.00 0.00 51.96 52.90 3iii s ALA 379 Cb -0.11 -3.61 -0.05 0.00 0.00 0.00 0.00 23.12 19.36 3iii s ALA 379 CO 0.01 -0.95 -0.00 -1.01 0.00 0.00 0.00 175.76 173.81 3iii s HIS 380 N 2.49 1.15 -0.03 0.00 3.76 0.55 -4.98 115.29 118.23 3iii s HIS 380 Ca 0.64 -1.02 0.03 0.00 -0.15 0.00 0.00 55.06 54.57 3iii s HIS 380 Cb -0.32 -0.65 -0.00 0.00 1.11 0.00 0.00 32.58 32.72 3iii s HIS 380 CO 0.27 -0.23 -0.13 0.54 -0.85 0.00 0.00 174.74 174.34 3iii s VAL 381 N -3.68 1.09 0.40 -0.90 0.11 -1.26 -1.24 120.40 114.91 3iii s VAL 381 Ca 0.23 -0.54 0.07 0.00 -2.93 0.00 0.00 61.98 58.81 3iii s VAL 381 Cb 0.06 -0.94 -0.07 0.00 -1.53 0.00 0.00 36.38 33.90 3iii s VAL 381 CO 0.03 0.32 0.07 0.00 -3.33 0.00 0.00 175.10 172.19 3iii s ALA 382 N 0.05 3.32 -0.13 1.54 0.00 0.21 -4.90 121.76 121.85 3iii s ALA 382 Ca -0.02 -2.19 -0.16 0.00 0.00 0.00 0.00 51.96 49.60 3iii s ALA 382 Cb -0.09 -0.11 0.04 0.00 0.00 0.00 0.00 23.12 22.96 3iii s ALA 382 CO 0.01 -0.11 0.42 -1.14 0.00 0.00 0.00 175.76 174.94 3iii s GLN 383 N -3.78 0.56 0.03 0.00 0.74 -1.26 0.00 119.66 115.96 3iii s GLN 383 Ca 0.37 0.44 -0.09 0.00 0.05 0.00 0.00 55.36 56.14 3iii s GLN 383 Cb 0.06 0.27 0.00 0.00 1.10 0.00 0.00 33.01 34.44 3iii s GLN 383 CO 0.20 -0.10 0.17 1.52 -0.55 0.00 0.00 175.29 176.53 3iii s TYR 384 N -0.12 0.08 -0.36 1.67 -0.85 -0.70 -4.86 117.35 112.20 3iii s TYR 384 Ca -0.03 -0.30 -0.29 0.00 -0.52 0.00 0.00 57.07 55.93 3iii s TYR 384 Cb -0.03 -0.05 0.01 0.00 0.38 0.00 0.00 41.96 42.27 3iii s TYR 384 CO 0.02 -0.40 1.28 0.34 -1.52 0.00 0.00 175.55 175.26 3iii s ASP 385 N -2.02 6.60 0.61 -0.18 -1.08 -1.26 -1.00 116.67 118.35 3iii s ASP 385 Ca -0.06 0.95 0.39 0.00 -0.52 0.00 0.00 52.55 53.31 3iii s ASP 385 Cb -0.02 -2.54 1.94 0.00 -1.46 0.00 0.00 42.92 40.84 3iii s ASP 385 CO -0.03 -1.18 2.20 0.77 0.52 0.00 0.00 175.17 177.44 3iii h SER 386 N 9.52 0.00 0.09 -0.34 4.64 -1.57 -2.54 113.55 123.35 3iii h SER 386 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3iii h SER 386 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3iii h SER 386 CO 1.06 0.01 -0.50 -0.62 -0.87 0.00 0.00 176.83 175.91 3iii n GLU 387 N -3.14 0.85 -3.24 4.77 1.02 -1.26 -4.33 120.64 115.30 3iii n GLU 387 Ca -0.02 -0.65 -0.44 0.00 -0.02 0.00 0.00 57.16 56.04 3iii n GLU 387 Cb 0.17 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.03 3iii n GLU 387 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3iii s ASP 388 N -2.60 6.21 0.00 1.62 -1.08 -0.96 -4.93 116.67 114.93 3iii s ASP 388 Ca 0.18 -0.85 0.03 0.00 -0.52 0.00 0.00 52.55 51.38 3iii s ASP 388 Cb 0.18 -2.25 0.12 0.00 -1.46 0.00 0.00 42.92 39.51 3iii s ASP 388 CO 0.61 -0.74 0.98 0.29 0.52 0.00 0.00 175.17 176.83 3iii n LYS 389 N 5.84 0.02 0.00 4.34 5.02 -1.26 -1.39 118.16 130.72 3iii n LYS 389 Ca -0.07 0.35 0.11 0.00 -2.02 0.00 0.00 58.31 56.68 3iii n LYS 389 Cb 0.46 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 34.06 3iii n LYS 389 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3iii n GLN 390 N -1.38 2.14 -4.61 1.97 1.13 -1.26 -4.94 117.38 110.43 3iii n GLN 390 Ca 0.01 -1.83 -0.33 0.00 -1.94 0.00 0.00 57.00 52.91 3iii n GLN 390 Cb 0.02 -1.44 -0.11 0.00 0.11 0.00 0.00 30.24 28.82 3iii n GLN 390 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3iii s GLN 391 N -1.93 2.57 0.31 -1.09 -0.21 -0.49 -5.10 119.66 113.72 3iii s GLN 391 Ca 0.26 -0.68 -0.18 0.00 0.02 0.00 0.00 55.36 54.78 3iii s GLN 391 Cb 0.19 -2.48 0.03 0.00 1.00 0.00 0.00 33.01 31.74 3iii s GLN 391 CO 0.30 0.62 0.70 0.16 -2.12 0.00 0.00 175.29 174.95 3iii s ASP 392 N -1.10 -0.11 0.07 5.90 1.47 -1.26 -4.54 116.67 117.10 3iii s ASP 392 Ca 0.14 -0.84 0.09 0.00 1.18 0.00 0.00 52.55 53.11 3iii s ASP 392 Cb -0.11 0.75 -0.03 0.00 -0.34 0.00 0.00 42.92 43.18 3iii s ASP 392 CO 0.04 -1.43 -0.21 0.68 0.68 0.00 0.00 175.17 174.93 3iii s VAL 393 N -3.41 2.61 0.05 2.11 -7.23 -0.17 -4.87 120.40 109.48 3iii s VAL 393 Ca 0.14 -1.39 -0.01 0.00 -1.81 0.00 0.00 61.98 58.92 3iii s VAL 393 Cb -0.05 -2.12 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 3iii s VAL 393 CO 0.09 0.25 -0.03 -0.94 -0.31 0.00 0.00 175.10 174.16 3iii s SER 394 N -1.67 0.47 -0.08 4.85 1.04 -1.26 -1.06 113.70 115.99 3iii s SER 394 Ca 0.15 -0.96 -0.03 0.00 0.48 0.00 0.00 55.95 55.58 3iii s SER 394 Cb -0.10 0.19 0.04 0.00 0.10 0.00 0.00 66.02 66.25 3iii s SER 394 CO 0.06 -0.58 0.17 -0.36 0.98 0.00 0.00 173.24 173.51 3iii s PHE 395 N -3.74 -0.21 0.06 5.02 0.08 -0.24 -4.47 117.98 114.49 3iii s PHE 395 Ca 0.05 0.56 0.07 0.00 0.12 0.00 0.00 56.93 57.74 3iii s PHE 395 Cb 0.07 -0.05 -0.03 0.00 -0.57 0.00 0.00 43.02 42.43 3iii s PHE 395 CO -0.09 -0.19 -0.19 0.15 -0.10 0.00 0.00 175.22 174.80 3iii s LYS 396 N 1.22 1.18 -0.06 0.44 1.02 -0.80 -0.66 119.74 122.08 3iii s LYS 396 Ca -0.09 -0.97 0.00 0.00 0.02 0.00 0.00 55.97 54.93 3iii s LYS 396 Cb -0.11 -1.31 0.02 0.00 -0.52 0.00 0.00 37.83 35.91 3iii s LYS 396 CO -0.07 0.32 -0.03 -0.47 -0.92 0.00 0.00 175.35 174.18 3iii s TYR 397 N -0.96 0.74 -0.22 3.18 5.04 -0.32 -1.18 117.35 123.63 3iii s TYR 397 Ca 0.05 -0.21 -0.11 0.00 -2.44 0.00 0.00 57.07 54.36 3iii s TYR 397 Cb -0.09 -0.72 -0.05 0.00 0.35 0.00 0.00 41.96 41.45 3iii s TYR 397 CO 0.02 -0.25 0.17 0.99 -1.34 0.00 0.00 175.55 175.15 3iii s THR 398 N 1.28 5.36 0.24 4.34 2.01 -1.26 -0.97 115.64 126.63 3iii s THR 398 Ca -0.05 0.23 -0.30 0.00 0.31 0.00 0.00 61.69 61.88 3iii s THR 398 Cb -0.14 -3.51 -0.09 0.00 0.01 0.00 0.00 72.50 68.77 3iii s THR 398 CO -0.02 0.37 1.03 -0.36 -0.69 0.00 0.00 174.62 174.94 3iii s PHE 399 N 0.87 3.76 -1.22 4.92 0.08 -0.16 -4.92 117.98 121.31 3iii s PHE 399 Ca 0.09 1.78 0.25 0.00 0.12 0.00 0.00 56.93 59.17 3iii s PHE 399 Cb -0.13 -3.14 0.48 0.00 -0.57 0.00 0.00 43.02 39.65 3iii s PHE 399 CO 0.03 -0.10 1.39 -0.25 -0.10 0.00 0.00 175.22 176.19 3iii n ASP 400 N 1.61 0.73 -3.60 1.36 8.00 -1.26 -0.51 116.55 122.88 3iii n ASP 400 Ca -0.01 -0.53 -0.12 0.00 0.71 0.00 0.00 54.79 54.84 3iii n ASP 400 Cb 0.46 0.30 -0.05 0.00 -0.02 0.00 0.00 41.12 41.82 3iii n ASP 400 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3iii s LYS 401 N -2.86 1.04 0.01 -1.24 -2.85 -1.26 -4.81 119.74 107.77 3iii s LYS 401 Ca 0.14 -0.42 -0.36 0.00 -1.00 0.00 0.00 55.97 54.34 3iii s LYS 401 Cb 0.18 0.47 -0.14 0.00 -2.06 0.00 0.00 37.83 36.27 3iii s LYS 401 CO 0.67 -0.39 1.63 -0.25 0.10 0.00 0.00 175.35 177.11 3iii n ASP 402 N 0.18 2.77 -3.92 0.03 9.92 -1.26 -3.99 116.55 120.28 3iii n ASP 402 Ca -0.18 1.06 -0.20 0.00 -0.53 0.00 0.00 54.79 54.95 3iii n ASP 402 Cb 0.62 -1.32 -0.16 0.00 -0.64 0.00 0.00 41.12 39.62 3iii n ASP 402 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3iii s THR 403 N 2.08 0.59 -0.22 -3.53 2.01 0.52 -4.91 115.64 112.19 3iii s THR 403 Ca 0.87 -0.18 -0.08 0.00 0.31 0.00 0.00 61.69 62.61 3iii s THR 403 Cb -0.80 -0.58 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 3iii s THR 403 CO 0.48 0.22 0.08 -1.61 -0.69 0.00 0.00 174.62 173.10 3iii s GLU 404 N 0.69 3.87 -0.30 4.92 2.02 -1.26 -0.55 118.70 128.10 3iii s GLU 404 Ca -0.10 -0.38 -0.05 0.00 0.02 0.00 0.00 54.97 54.46 3iii s GLU 404 Cb -0.13 -3.30 0.02 0.00 0.10 0.00 0.00 34.13 30.82 3iii s GLU 404 CO 0.00 0.07 0.05 -0.51 0.02 0.00 0.00 175.26 174.90 3iii s LEU 405 N 0.94 3.85 -0.15 1.80 1.43 -0.39 -0.68 118.68 125.48 3iii s LEU 405 Ca 0.04 -0.90 -0.03 0.00 -1.03 0.00 0.00 54.13 52.22 3iii s LEU 405 Cb -0.14 -1.82 0.05 0.00 0.03 0.00 0.00 46.19 44.31 3iii s LEU 405 CO 0.03 -0.22 0.03 -0.69 0.23 0.00 0.00 176.35 175.73 3iii s VAL 406 N 1.42 0.37 -3.90 -1.59 1.01 -0.75 -1.34 120.40 115.61 3iii s VAL 406 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.73 3iii s VAL 406 Cb -0.18 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.42 3iii s VAL 406 CO 0.01 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.66 3iii n GLY 407 N 5.12 0.89 0.00 4.51 0.00 -0.40 -4.77 105.19 110.55 3iii n GLY 407 Ca -0.08 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 43.97 3iii n GLY 407 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3iii n ASN 408 N 0.00 -0.11 -3.43 1.61 3.02 -1.26 -1.93 115.26 113.16 3iii n ASN 408 Ca 0.00 -0.38 0.01 0.00 -0.03 0.00 0.00 54.58 54.19 3iii n ASN 408 Cb 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 3iii n ASN 408 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3iii s ASN 410 N -1.13 -0.64 -0.40 6.41 3.84 -1.07 -4.19 114.94 117.77 3iii s ASN 410 Ca 0.00 0.87 -0.12 0.00 0.21 0.00 0.00 52.86 53.82 3iii s ASN 410 Cb 0.00 1.73 0.04 0.00 -0.55 0.00 0.00 41.25 42.47 3iii s ASN 410 CO 0.00 -0.12 0.25 -0.22 -2.79 0.00 0.00 177.10 174.22 3iii s LEU 411 N 2.50 4.98 -0.23 3.21 2.96 -0.54 -0.49 118.68 131.06 3iii s LEU 411 Ca -0.03 -1.11 -0.17 0.00 -0.22 0.00 0.00 54.13 52.60 3iii s LEU 411 Cb -0.07 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 3iii s LEU 411 CO -0.18 -0.46 0.45 -0.75 -1.32 0.00 0.00 176.35 174.10 3iii s LYS 412 N 1.56 4.11 0.08 1.98 2.20 0.55 -0.31 119.74 129.91 3iii s LYS 412 Ca 0.03 0.24 0.07 0.00 -0.36 0.00 0.00 55.97 55.95 3iii s LYS 412 Cb -0.20 -3.60 -0.03 0.00 -1.51 0.00 0.00 37.83 32.48 3iii s LYS 412 CO 0.06 -0.20 -0.20 -0.51 -0.36 0.00 0.00 175.35 174.14 3iii s LEU 413 N 1.84 2.25 -0.21 5.43 1.43 0.18 -1.38 118.68 128.21 3iii s LEU 413 Ca 0.20 -0.62 -0.08 0.00 -1.03 0.00 0.00 54.13 52.59 3iii s LEU 413 Cb -0.15 -0.86 -0.04 0.00 0.03 0.00 0.00 46.19 45.17 3iii s LEU 413 CO 0.09 0.07 0.10 0.26 0.23 0.00 0.00 176.35 177.10 3iii s TRP 414 N -1.05 3.24 0.03 0.29 0.52 -1.26 -0.26 118.94 120.46 3iii s TRP 414 Ca 0.06 0.03 -0.00 0.00 0.02 0.00 0.00 56.10 56.21 3iii s TRP 414 Cb -0.09 -2.17 -0.03 0.00 -1.15 0.00 0.00 33.47 30.02 3iii s TRP 414 CO 0.03 0.03 -0.03 0.14 0.02 0.00 0.00 176.95 177.13 3iii s VAL 415 N 0.84 0.19 0.21 4.03 -7.23 -0.03 -0.04 120.40 118.36 3iii s VAL 415 Ca 0.05 -1.25 -0.13 0.00 -1.81 0.00 0.00 61.98 58.84 3iii s VAL 415 Cb -0.13 -0.74 0.00 0.00 0.56 0.00 0.00 36.38 36.07 3iii s VAL 415 CO 0.02 -0.67 0.44 -0.94 -0.31 0.00 0.00 175.10 173.64 3iii s SER 416 N -2.00 -0.10 -0.00 4.85 1.04 -1.26 -0.08 113.70 116.14 3iii s SER 416 Ca -0.07 -0.78 -0.13 0.00 0.48 0.00 0.00 55.95 55.45 3iii s SER 416 Cb -0.04 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.64 3iii s SER 416 CO -0.04 -1.05 0.27 0.28 0.98 0.00 0.00 173.24 173.69 3iii s THR 417 N -3.96 0.07 -0.15 2.02 -1.32 -1.26 -4.67 115.64 106.36 3iii s THR 417 Ca 0.17 -0.55 0.09 0.00 -1.21 0.00 0.00 61.69 60.18 3iii s THR 417 Cb 0.00 -0.62 -0.16 0.00 -1.51 0.00 0.00 72.50 70.22 3iii s THR 417 CO 0.03 -0.30 -0.02 0.29 -2.21 0.00 0.00 174.62 172.40 3iii n LYS 418 N 1.22 1.26 -0.01 7.08 5.02 -1.26 -1.90 118.16 129.56 3iii n LYS 418 Ca -0.21 0.03 0.12 0.00 -2.02 0.00 0.00 58.31 56.23 3iii n LYS 418 Cb 0.56 -1.36 0.11 0.00 -0.02 0.00 0.00 35.03 34.32 3iii n LYS 418 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3iii n ASP 419 N -2.70 3.02 -4.16 4.39 8.00 -1.26 -4.76 116.55 119.09 3iii n ASP 419 Ca -0.26 -1.99 -0.11 0.00 0.71 0.00 0.00 54.79 53.13 3iii n ASP 419 Cb 0.92 -0.02 -0.09 0.00 -0.02 0.00 0.00 41.12 41.91 3iii n ASP 419 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3iii s SER 420 N -1.95 0.15 -0.16 -2.24 0.15 -1.26 -4.81 113.70 103.57 3iii s SER 420 Ca 0.29 -1.28 0.16 0.00 0.70 0.00 0.00 55.95 55.82 3iii s SER 420 Cb 0.20 0.39 0.65 0.00 -1.71 0.00 0.00 66.02 65.55 3iii s SER 420 CO 0.30 -0.86 1.57 -0.90 1.20 0.00 0.00 173.24 174.55 3iii n ASP 421 N -0.25 4.62 -0.02 5.45 5.75 -1.26 -4.78 116.55 126.06 3iii n ASP 421 Ca -0.00 -2.75 0.00 0.00 -0.01 0.00 0.00 54.79 52.02 3iii n ASP 421 Cb 0.65 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 3iii n ASP 421 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 3iii n ASP 422 N 0.36 0.00 -3.64 -1.12 -0.08 -1.26 -0.14 116.55 110.67 3iii n ASP 422 Ca 0.24 -0.02 -0.19 0.00 -1.51 0.00 0.00 54.79 53.31 3iii n ASP 422 Cb 0.95 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 44.25 3iii n ASP 422 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 3iii s ASP 424 N 1.95 1.15 -0.14 1.67 1.01 -1.26 -4.55 116.67 116.50 3iii s ASP 424 Ca 0.00 0.07 -0.03 0.00 0.71 0.00 0.00 52.55 53.30 3iii s ASP 424 Cb 0.00 0.11 -0.03 0.00 1.01 0.00 0.00 42.92 44.02 3iii s ASP 424 CO 0.00 -0.27 -0.05 -0.76 0.21 0.00 0.00 175.17 174.30 3iii s LEU 425 N 2.25 3.18 -0.23 1.23 1.43 0.07 -4.58 118.68 122.02 3iii s LEU 425 Ca 0.04 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 52.99 3iii s LEU 425 Cb -0.13 -1.75 0.02 0.00 0.03 0.00 0.00 46.19 44.36 3iii s LEU 425 CO -0.06 0.20 -0.09 -0.36 0.23 0.00 0.00 176.35 176.27 3iii s PHE 426 N 0.17 2.99 0.06 0.29 0.08 -0.66 -0.97 117.98 119.95 3iii s PHE 426 Ca -0.03 -1.49 0.04 0.00 0.12 0.00 0.00 56.93 55.57 3iii s PHE 426 Cb -0.14 -2.03 -0.04 0.00 -0.57 0.00 0.00 43.02 40.24 3iii s PHE 426 CO 0.03 -0.72 -0.03 0.00 -0.10 0.00 0.00 175.22 174.40 3iii s ALA 427 N 1.34 3.18 -0.02 5.36 0.00 0.24 -1.55 121.76 130.30 3iii s ALA 427 Ca 0.02 -1.09 -0.11 0.00 0.00 0.00 0.00 51.96 50.79 3iii s ALA 427 Cb -0.16 -1.16 0.01 0.00 0.00 0.00 0.00 23.12 21.82 3iii s ALA 427 CO -0.06 0.66 0.22 0.20 0.00 0.00 0.00 175.76 176.79 3iii s GLY 428 N -1.97 -0.07 -0.15 0.00 0.00 -0.48 -1.57 107.32 103.09 3iii s GLY 428 Ca 0.22 0.17 -0.02 0.00 0.00 0.00 0.00 44.72 45.08 3iii s GLY 428 CO 0.14 0.00 -0.07 -0.42 0.00 0.00 0.00 173.10 172.75 3iii s ILE 429 N -1.16 3.54 0.19 0.90 -1.09 0.58 -1.00 121.20 123.17 3iii s ILE 429 Ca -0.12 -0.48 0.09 0.00 -2.23 0.00 0.00 60.65 57.91 3iii s ILE 429 Cb -0.06 -2.53 -0.04 0.00 -1.58 0.00 0.00 42.46 38.25 3iii s ILE 429 CO 0.03 0.50 -0.19 -0.54 -1.23 0.00 0.00 174.94 173.51 3iii s LYS 430 N 0.39 1.39 -0.09 2.79 1.02 0.20 -1.06 119.74 124.37 3iii s LYS 430 Ca -0.07 -1.51 0.02 0.00 0.02 0.00 0.00 55.97 54.44 3iii s LYS 430 Cb -0.15 -1.47 -0.02 0.00 -0.52 0.00 0.00 37.83 35.68 3iii s LYS 430 CO 0.04 0.29 -0.15 0.21 -0.92 0.00 0.00 175.35 174.82 3iii s LYS 431 N -2.98 2.94 -0.05 1.68 2.20 -1.26 -1.02 119.74 121.25 3iii s LYS 431 Ca 0.20 -0.72 0.05 0.00 -0.36 0.00 0.00 55.97 55.14 3iii s LYS 431 Cb -0.05 -2.47 -0.02 0.00 -1.51 0.00 0.00 37.83 33.78 3iii s LYS 431 CO 0.08 0.39 -0.21 -0.51 -0.36 0.00 0.00 175.35 174.74 3iii s LEU 432 N -0.13 2.30 0.00 5.43 1.43 -0.12 0.06 118.68 127.65 3iii s LEU 432 Ca -0.02 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 52.58 3iii s LEU 432 Cb -0.14 -1.43 0.15 0.00 0.03 0.00 0.00 46.19 44.80 3iii s LEU 432 CO 0.04 0.28 0.88 -0.90 0.23 0.00 0.00 176.35 176.88 3iii n ASP 433 N 2.70 0.11 0.21 2.29 5.68 0.67 -1.18 116.55 127.03 3iii n ASP 433 Ca -0.17 -1.35 0.15 0.00 -0.50 0.00 0.00 54.79 52.92 3iii n ASP 433 Cb 0.52 -0.67 0.67 0.00 -1.14 0.00 0.00 41.12 40.50 3iii n ASP 433 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3iii h ARG 434 N 0.00 0.00 -0.01 0.11 3.08 -1.89 -0.22 114.38 115.44 3iii h ARG 434 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 3iii h ARG 434 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.85 3iii h ARG 434 CO 0.21 0.00 -0.03 0.54 -1.07 0.00 0.00 179.97 179.62 3iii n ARG 435 N -2.59 1.50 -0.68 0.04 3.00 -1.26 -4.94 116.66 111.73 3iii n ARG 435 Ca 0.00 -0.82 0.00 0.00 -0.01 0.00 0.00 57.85 57.02 3iii n ARG 435 Cb 0.19 -1.48 0.00 0.00 0.00 0.00 0.00 32.46 31.16 3iii n ARG 435 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3iii n GLY 436 N 1.18 0.67 3.87 -0.13 0.00 -0.09 -5.05 105.19 105.62 3iii n GLY 436 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3iii n GLY 436 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3iii s ASN 437 N -2.04 6.63 0.30 1.61 0.01 -1.26 -4.71 114.94 115.48 3iii s ASN 437 Ca 0.00 0.76 -0.29 0.00 -0.71 0.00 0.00 52.86 52.61 3iii s ASN 437 Cb 0.00 -2.17 -0.10 0.00 0.41 0.00 0.00 41.25 39.39 3iii s ASN 437 CO 0.00 0.22 1.33 -0.70 -1.51 0.00 0.00 177.10 176.45 3iii s GLU 438 N -1.71 4.34 -0.38 -0.60 2.12 -1.26 -0.23 118.70 120.99 3iii s GLU 438 Ca 0.30 2.22 -0.16 0.00 0.36 0.00 0.00 54.97 57.68 3iii s GLU 438 Cb -0.14 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.16 3iii s GLU 438 CO 0.16 -0.24 0.39 0.08 -0.54 0.00 0.00 175.26 175.12 3iii s VAL 439 N -0.82 5.14 0.45 3.70 1.01 0.11 -4.83 120.40 125.16 3iii s VAL 439 Ca 0.51 -0.13 -0.13 0.00 0.00 0.00 0.00 61.98 62.24 3iii s VAL 439 Cb -0.40 -3.91 -0.07 0.00 0.00 0.00 0.00 36.38 32.00 3iii s VAL 439 CO 0.50 -0.23 0.85 0.20 0.00 0.00 0.00 175.10 176.42 3iii s ASN 440 N 1.76 6.55 0.07 3.32 0.02 -1.26 -4.52 114.94 120.88 3iii s ASN 440 Ca 0.12 1.28 0.01 0.00 -1.02 0.00 0.00 52.86 53.26 3iii s ASN 440 Cb -0.17 -2.39 -0.03 0.00 0.02 0.00 0.00 41.25 38.68 3iii s ASN 440 CO 0.12 -0.47 -0.06 -0.36 0.02 0.00 0.00 177.10 176.35 3iii s PHE 441 N -2.47 0.73 0.32 2.20 0.08 -0.89 -3.38 117.98 114.58 3iii s PHE 441 Ca 0.54 -0.78 -0.28 0.00 0.12 0.00 0.00 56.93 56.53 3iii s PHE 441 Cb -0.10 -0.44 -0.13 0.00 -0.57 0.00 0.00 43.02 41.78 3iii s PHE 441 CO 0.32 -0.16 1.10 -2.30 -0.10 0.00 0.00 175.22 174.08 3iii n PRO 442 N 0.55 1.62 -3.95 0.24 -0.02 -1.26 -1.81 135.00 130.37 3iii n PRO 442 Ca -0.16 0.57 -0.11 0.00 -2.02 0.00 0.00 63.50 61.77 3iii n PRO 442 Cb 0.59 -2.03 -0.01 0.00 -0.02 0.00 0.00 33.50 32.02 3iii n PRO 442 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3iii s ASP 443 N -0.49 0.38 0.22 2.55 -1.08 -0.79 -4.41 116.67 113.05 3iii s ASP 443 Ca 0.58 -1.25 -0.26 0.00 -0.52 0.00 0.00 52.55 51.10 3iii s ASP 443 Cb -0.64 0.74 -0.09 0.00 -1.46 0.00 0.00 42.92 41.47 3iii s ASP 443 CO 0.60 -1.45 0.85 0.12 0.52 0.00 0.00 175.17 175.82 3iii s PHE 444 N -2.87 3.87 -0.39 -5.34 2.19 -1.05 -1.78 117.98 112.61 3iii s PHE 444 Ca 0.22 1.73 -0.09 0.00 0.33 0.00 0.00 56.93 59.12 3iii s PHE 444 Cb -0.03 -2.85 0.05 0.00 -1.31 0.00 0.00 43.02 38.89 3iii s PHE 444 CO 0.15 0.43 0.20 1.21 1.83 0.00 0.00 175.22 179.04 3iii s ASN 445 N -1.29 5.59 -1.56 6.13 3.84 -1.26 -4.49 114.94 121.89 3iii s ASN 445 Ca 0.41 -1.26 -0.14 0.00 0.21 0.00 0.00 52.86 52.08 3iii s ASN 445 Cb -0.23 -1.97 0.10 0.00 -0.55 0.00 0.00 41.25 38.60 3iii s ASN 445 CO 0.27 -0.44 0.90 1.41 -2.79 0.00 0.00 177.10 176.46 3iii n HIS 446 N 4.91 -2.12 -3.39 0.43 8.25 -0.85 -4.57 115.22 117.87 3iii n HIS 446 Ca -0.11 0.87 -0.31 0.00 -0.26 0.00 0.00 57.72 57.91 3iii n HIS 446 Cb 0.44 -3.73 -0.05 0.00 1.12 0.00 0.00 29.99 27.77 3iii n HIS 446 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 3iii s ILE 447 N -3.34 4.97 -0.97 1.59 -4.36 -0.74 -4.71 121.20 113.65 3iii s ILE 447 Ca 0.63 0.34 0.13 0.00 -0.26 0.00 0.00 60.65 61.48 3iii s ILE 447 Cb -0.32 -3.65 -0.05 0.00 1.25 0.00 0.00 42.46 39.69 3iii s ILE 447 CO 0.86 -0.14 0.66 -0.62 0.24 0.00 0.00 174.94 175.93 3iii n GLU 448 N -0.37 2.28 -1.30 0.37 1.02 -1.26 -1.89 120.64 119.49 3iii n GLU 448 Ca -0.00 -0.46 -0.26 0.00 -0.02 0.00 0.00 57.16 56.41 3iii n GLU 448 Cb 0.53 -1.14 0.12 0.00 -0.02 0.00 0.00 31.44 30.93 3iii n GLU 448 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3iii n ASN 449 N -0.57 5.45 -2.66 1.62 6.94 -1.26 -4.08 115.26 120.71 3iii n ASN 449 Ca 0.04 -3.73 -0.09 0.00 -0.02 0.00 0.00 54.58 50.78 3iii n ASN 449 Cb 0.24 -0.83 0.06 0.00 -2.36 0.00 0.00 39.78 36.89 3iii n ASN 449 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3iii n GLY 450 N -1.00 -0.86 0.00 4.83 0.00 -0.75 -4.82 105.19 102.59 3iii n GLY 450 Ca 0.56 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.84 3iii n GLY 450 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iii n GLN 451 N -1.85 1.69 -0.04 1.61 10.64 -1.26 -2.08 117.38 126.08 3iii n GLN 451 Ca 0.05 0.00 -0.10 0.00 -1.83 0.00 0.00 57.00 55.12 3iii n GLN 451 Cb 0.19 0.00 -0.09 0.00 -0.86 0.00 0.00 30.24 29.48 3iii n GLN 451 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 3iii h VAL 452 N 0.87 1.23 -3.17 -0.39 2.07 -1.41 -3.41 116.25 112.04 3iii h VAL 452 Ca 0.00 -1.79 -0.11 0.00 0.82 0.00 0.00 66.70 65.62 3iii h VAL 452 Cb 0.00 2.26 -0.19 0.00 -1.52 0.00 0.00 31.29 31.84 3iii h VAL 452 CO 0.00 0.39 -0.30 0.00 0.02 0.00 0.00 177.57 177.69 3iii s ALA 453 N -2.65 -0.69 0.06 1.67 0.00 -1.02 -4.78 121.76 114.34 3iii s ALA 453 Ca -0.14 0.17 0.05 0.00 0.00 0.00 0.00 51.96 52.05 3iii s ALA 453 Cb -0.02 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 3iii s ALA 453 CO 0.50 -0.30 -0.14 0.99 0.00 0.00 0.00 175.76 176.81 3iii s THR 454 N -1.69 1.14 0.20 0.00 2.01 -1.26 -0.30 115.64 115.73 3iii s THR 454 Ca -0.11 -1.23 -0.17 0.00 0.31 0.00 0.00 61.69 60.48 3iii s THR 454 Cb -0.04 -1.07 0.03 0.00 0.01 0.00 0.00 72.50 71.42 3iii s THR 454 CO 0.02 -0.16 0.53 -0.83 -0.69 0.00 0.00 174.62 173.49 3iii s GLY 455 N -1.58 -0.06 0.01 4.40 0.00 -0.61 -1.84 107.32 107.65 3iii s GLY 455 Ca -0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 44.72 44.42 3iii s GLY 455 CO 0.02 -0.28 0.04 -0.98 0.00 0.00 0.00 173.10 171.91 3iii s TRP 456 N -3.88 0.14 -0.20 1.90 0.51 -1.26 -0.60 118.94 115.55 3iii s TRP 456 Ca 0.10 -0.31 -0.15 0.00 -2.12 0.00 0.00 56.10 53.62 3iii s TRP 456 Cb -0.01 -0.12 0.06 0.00 -0.81 0.00 0.00 33.47 32.59 3iii s TRP 456 CO -0.02 -0.21 0.51 -1.17 -0.51 0.00 0.00 176.95 175.56 3iii s LEU 457 N -1.28 -0.20 -0.25 2.99 2.96 -0.14 -3.89 118.68 118.86 3iii s LEU 457 Ca -0.14 1.08 -0.20 0.00 -0.22 0.00 0.00 54.13 54.65 3iii s LEU 457 Cb -0.08 1.74 -0.02 0.00 0.50 0.00 0.00 46.19 48.33 3iii s LEU 457 CO 0.00 -0.20 0.61 -0.60 -1.32 0.00 0.00 176.35 174.84 3iii s ARG 458 N 0.92 4.10 0.41 1.98 3.52 -0.10 -0.75 118.95 129.03 3iii s ARG 458 Ca -0.05 0.51 0.11 0.00 -0.13 0.00 0.00 55.73 56.17 3iii s ARG 458 Cb -0.06 -3.65 0.86 0.00 -1.56 0.00 0.00 34.95 30.55 3iii s ARG 458 CO -0.08 -0.40 1.94 0.28 -0.81 0.00 0.00 175.30 176.24 3iii h VAL 459 N 5.40 1.16 0.00 7.11 2.07 -1.95 0.15 116.25 130.20 3iii h VAL 459 Ca -0.27 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.52 3iii h VAL 459 Cb 1.13 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 3iii h VAL 459 CO 0.76 0.22 0.00 0.77 0.02 0.00 0.00 177.57 179.34 3iii h SER 460 N 0.15 0.00 -0.65 0.57 4.64 -1.90 -1.66 113.55 114.69 3iii h SER 460 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3iii h SER 460 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3iii h SER 460 CO 0.02 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.39 3iii n HIS 461 N -2.48 1.44 0.31 4.77 8.25 0.53 -0.18 115.22 127.86 3iii n HIS 461 Ca -0.01 -0.58 0.13 0.00 -0.26 0.00 0.00 57.72 56.99 3iii n HIS 461 Cb 0.07 -0.22 0.58 0.00 1.12 0.00 0.00 29.99 31.53 3iii n HIS 461 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 3iii h ARG 462 N 4.07 0.00 -6.44 -0.41 0.11 -1.33 -3.41 114.38 106.97 3iii h ARG 462 Ca 0.00 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.55 3iii h ARG 462 Cb 1.40 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.50 3iii h ARG 462 CO 0.21 0.00 1.00 -2.00 0.10 0.00 0.00 179.97 179.28 3iii s GLU 463 N -3.46 4.20 0.21 0.08 2.12 -1.26 -4.80 118.70 115.78 3iii s GLU 463 Ca 0.01 2.32 -0.25 0.00 0.36 0.00 0.00 54.97 57.41 3iii s GLU 463 Cb 0.08 -3.62 -0.08 0.00 0.26 0.00 0.00 34.13 30.77 3iii s GLU 463 CO 0.35 -0.74 0.81 -0.51 -0.54 0.00 0.00 175.26 174.63 3iii s LEU 464 N 2.73 4.52 -0.55 2.70 1.43 -1.26 -1.78 118.68 126.47 3iii s LEU 464 Ca 0.74 1.68 -0.28 0.00 -1.03 0.00 0.00 54.13 55.23 3iii s LEU 464 Cb -0.39 -3.50 0.02 0.00 0.03 0.00 0.00 46.19 42.35 3iii s LEU 464 CO 0.32 0.13 1.31 -0.62 0.23 0.00 0.00 176.35 177.72 3iii s ASP 465 N -1.32 6.31 0.18 2.29 -1.08 0.15 -4.67 116.67 118.53 3iii s ASP 465 Ca 0.40 0.29 -0.10 0.00 -0.52 0.00 0.00 52.55 52.62 3iii s ASP 465 Cb -0.22 -2.55 0.08 0.00 -1.46 0.00 0.00 42.92 38.78 3iii s ASP 465 CO 0.26 -1.56 1.68 1.56 0.52 0.00 0.00 175.17 177.62 3iii h GLN 466 N 10.32 1.05 -0.31 4.34 1.08 -1.93 -0.39 115.11 129.26 3iii h GLN 466 Ca -0.26 -0.27 -0.06 0.00 -1.45 0.00 0.00 58.65 56.61 3iii h GLN 466 Cb 1.08 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 28.37 3iii h GLN 466 CO 1.17 0.96 -0.07 1.49 -0.95 0.00 0.00 178.83 181.43 3iii h GLU 467 N 0.96 0.50 0.00 1.46 4.81 -1.96 -3.19 114.58 117.16 3iii h GLU 467 Ca 0.19 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3iii h GLU 467 Cb 0.42 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.73 3iii h GLU 467 CO 0.01 0.59 -1.50 1.63 -0.73 0.00 0.00 179.01 179.00 3iii n LYS 468 N -4.24 0.62 -2.27 1.92 5.02 -1.12 -4.97 118.16 113.13 3iii n LYS 468 Ca 0.01 -0.04 -0.34 0.00 -2.02 0.00 0.00 58.31 55.92 3iii n LYS 468 Cb 0.29 -1.66 -0.01 0.00 -0.02 0.00 0.00 35.03 33.63 3iii n LYS 468 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3iii s SER 469 N -4.87 5.98 0.32 4.39 0.01 -0.17 -4.69 113.70 114.67 3iii s SER 469 Ca -0.04 1.92 0.03 0.00 1.31 0.00 0.00 55.95 59.17 3iii s SER 469 Cb 0.12 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 3iii s SER 469 CO 0.85 -1.03 0.13 -0.94 0.41 0.00 0.00 173.24 172.66 3iii s SER 470 N -2.31 1.88 0.41 2.44 1.04 -0.40 -4.96 113.70 111.80 3iii s SER 470 Ca 0.66 -1.53 0.12 0.00 0.48 0.00 0.00 55.95 55.68 3iii s SER 470 Cb -0.17 0.31 0.87 0.00 0.10 0.00 0.00 66.02 67.12 3iii s SER 470 CO 0.29 -0.83 1.94 -0.29 0.98 0.00 0.00 173.24 175.33 3iii h ILE 471 N 2.13 1.17 0.00 -1.02 2.10 -2.01 -3.06 117.51 116.82 3iii h ILE 471 Ca -0.36 -0.76 -0.04 0.00 1.08 0.00 0.00 64.86 64.78 3iii h ILE 471 Cb 1.25 1.31 -0.01 0.00 -1.09 0.00 0.00 36.82 38.28 3iii h ILE 471 CO 0.57 0.23 -1.58 0.00 -1.08 0.00 0.00 178.15 176.29 3iii n ALA 472 N -2.49 2.53 -3.74 0.18 0.00 -1.26 -4.68 120.51 111.05 3iii n ALA 472 Ca -0.02 -0.46 -0.30 0.00 0.00 0.00 0.00 53.44 52.67 3iii n ALA 472 Cb 0.27 -0.87 -0.15 0.00 0.00 0.00 0.00 19.45 18.70 3iii n ALA 472 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3iii s GLN 473 N -3.34 0.72 0.48 0.00 0.74 -1.16 -3.28 119.66 113.82 3iii s GLN 473 Ca -0.05 -1.07 -0.22 0.00 0.05 0.00 0.00 55.36 54.07 3iii s GLN 473 Cb 0.11 -2.01 -0.07 0.00 1.10 0.00 0.00 33.01 32.14 3iii s GLN 473 CO 0.85 -0.98 1.15 -1.25 -0.55 0.00 0.00 175.29 174.51 3iii s PRO 474 N 1.61 3.69 -0.12 1.67 0.04 -1.26 -1.28 135.00 139.35 3iii s PRO 474 Ca 0.09 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.87 3iii s PRO 474 Cb -0.17 -2.32 0.02 0.00 0.04 0.00 0.00 34.50 32.06 3iii s PRO 474 CO -0.25 -0.60 -0.12 -0.46 0.04 0.00 0.00 177.00 175.62 3iii s TRP 475 N -1.60 1.83 -0.17 0.56 -0.11 -1.26 -4.77 118.94 113.42 3iii s TRP 475 Ca 0.65 -0.94 -0.09 0.00 1.22 0.00 0.00 56.10 56.94 3iii s TRP 475 Cb -0.27 -1.40 -0.05 0.00 -1.50 0.00 0.00 33.47 30.26 3iii s TRP 475 CO 0.33 -0.55 0.13 -1.01 -4.62 0.00 0.00 176.95 171.22 3iii s HIS 476 N 1.41 3.46 0.23 5.86 3.76 -1.26 0.32 115.29 129.07 3iii s HIS 476 Ca 0.01 0.38 -0.08 0.00 -0.15 0.00 0.00 55.06 55.22 3iii s HIS 476 Cb -0.13 -2.08 0.21 0.00 1.11 0.00 0.00 32.58 31.69 3iii s HIS 476 CO -0.07 0.43 1.88 0.87 -0.85 0.00 0.00 174.74 177.00 3iii h LYS 477 N 6.09 1.21 -5.28 1.40 1.57 -1.62 -3.44 116.57 116.50 3iii h LYS 477 Ca -0.45 -0.10 -0.41 0.00 -1.87 0.00 0.00 60.65 57.81 3iii h LYS 477 Cb 1.18 -0.26 0.02 0.00 0.08 0.00 0.00 32.23 33.25 3iii h LYS 477 CO 0.69 0.84 -0.64 0.72 -0.57 0.00 0.00 179.45 180.50 3iii n HIS 478 N -4.41 -2.15 -0.08 -1.35 8.25 -1.26 -4.71 115.22 109.52 3iii n HIS 478 Ca 0.10 0.66 -0.23 0.00 -0.26 0.00 0.00 57.72 58.00 3iii n HIS 478 Cb 0.05 -4.13 -0.12 0.00 1.12 0.00 0.00 29.99 26.91 3iii n HIS 478 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 3iii n GLU 479 N -4.25 0.65 -4.05 -0.41 2.13 -1.26 -0.52 120.64 112.93 3iii n GLU 479 Ca -0.04 0.35 -0.08 0.00 0.66 0.00 0.00 57.16 58.05 3iii n GLU 479 Cb 0.57 -1.65 -0.10 0.00 0.27 0.00 0.00 31.44 30.53 3iii n GLU 479 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3iii s THR 480 N -2.48 0.18 -0.09 6.31 -4.23 -1.26 -4.85 115.64 109.22 3iii s THR 480 Ca -0.29 -1.47 -0.22 0.00 -1.18 0.00 0.00 61.69 58.52 3iii s THR 480 Cb 0.08 -1.06 -0.04 0.00 1.34 0.00 0.00 72.50 72.83 3iii s THR 480 CO 0.64 -0.81 0.64 -1.61 -0.54 0.00 0.00 174.62 172.93 3iii s GLU 481 N -3.02 4.39 -0.80 3.99 2.02 -1.26 -4.71 118.70 119.32 3iii s GLU 481 Ca -0.01 0.75 -0.07 0.00 0.02 0.00 0.00 54.97 55.66 3iii s GLU 481 Cb 0.01 -3.46 0.20 0.00 0.10 0.00 0.00 34.13 30.99 3iii s GLU 481 CO -0.07 0.05 0.68 -0.51 0.02 0.00 0.00 175.26 175.44 3iii s LEU 482 N 0.88 5.92 0.75 1.80 1.43 0.75 -5.02 118.68 125.19 3iii s LEU 482 Ca 0.34 -3.05 -0.11 0.00 -1.03 0.00 0.00 54.13 50.28 3iii s LEU 482 Cb -0.17 -2.02 0.04 0.00 0.03 0.00 0.00 46.19 44.08 3iii s LEU 482 CO 0.15 -0.39 1.08 -0.54 0.23 0.00 0.00 176.35 176.88 3iii s LYS 483 N -0.37 2.45 0.11 1.70 -0.14 -1.26 -4.21 119.74 118.02 3iii s LYS 483 Ca 0.21 1.09 0.03 0.00 -1.36 0.00 0.00 55.97 55.94 3iii s LYS 483 Cb -0.13 -1.92 -0.04 0.00 -1.68 0.00 0.00 37.83 34.05 3iii s LYS 483 CO -0.07 -1.49 0.14 -0.51 -0.76 0.00 0.00 175.35 172.66 3iii s LEU 484 N -5.81 3.96 0.36 3.17 1.43 0.81 -5.03 118.68 117.56 3iii s LEU 484 Ca 0.60 0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.70 3iii s LEU 484 Cb -0.16 -2.59 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 3iii s LEU 484 CO 0.56 0.12 0.60 -0.44 0.23 0.00 0.00 176.35 177.42 3iii s SER 485 N -2.75 6.34 -0.01 2.29 0.01 -1.26 -4.49 113.70 113.83 3iii s SER 485 Ca 0.31 0.63 -0.36 0.00 1.31 0.00 0.00 55.95 57.84 3iii s SER 485 Cb -0.11 -2.11 -0.15 0.00 0.21 0.00 0.00 66.02 63.85 3iii s SER 485 CO 0.24 -0.32 1.57 0.00 0.41 0.00 0.00 173.24 175.14 3iii n GLN 486 N -1.61 1.53 -1.18 12.44 6.02 -1.26 -1.15 117.38 132.17 3iii n GLN 486 Ca -0.03 0.56 -0.06 0.00 -0.01 0.00 0.00 57.00 57.46 3iii n GLN 486 Cb 0.55 -2.27 -0.03 0.00 1.02 0.00 0.00 30.24 29.52 3iii n GLN 486 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3iii n ASP 487 N 3.99 -5.61 -4.63 1.08 8.00 -0.80 -4.94 116.55 113.64 3iii n ASP 487 Ca 0.21 0.15 -0.43 0.00 0.71 0.00 0.00 54.79 55.43 3iii n ASP 487 Cb 0.21 -3.66 -0.03 0.00 -0.02 0.00 0.00 41.12 37.62 3iii n ASP 487 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3iii s GLU 488 N -2.42 3.65 -0.25 -1.24 2.12 -0.30 -4.92 118.70 115.35 3iii s GLU 488 Ca 0.00 1.99 -0.20 0.00 0.36 0.00 0.00 54.97 57.12 3iii s GLU 488 Cb 0.00 -4.18 -0.02 0.00 0.26 0.00 0.00 34.13 30.19 3iii s GLU 488 CO 0.00 -1.49 0.63 0.42 -0.54 0.00 0.00 175.26 174.28 3iii s ILE 489 N 6.07 4.99 0.09 -3.70 1.01 -1.26 -4.29 121.20 124.11 3iii s ILE 489 Ca 0.85 1.13 0.07 0.00 0.00 0.00 0.00 60.65 62.71 3iii s ILE 489 Cb -0.32 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.19 3iii s ILE 489 CO 0.34 0.03 -0.18 0.68 0.00 0.00 0.00 174.94 175.81 3iii s VAL 490 N 2.47 1.49 0.03 2.92 -7.23 0.89 -4.89 120.40 116.07 3iii s VAL 490 Ca 0.26 -1.45 -0.22 0.00 -1.81 0.00 0.00 61.98 58.76 3iii s VAL 490 Cb -0.15 -1.37 -0.06 0.00 0.56 0.00 0.00 36.38 35.36 3iii s VAL 490 CO 0.09 -0.12 0.66 -2.16 -0.31 0.00 0.00 175.10 173.26 3iii s PRO 491 N -1.83 4.39 0.07 4.82 0.04 -1.26 -0.85 135.00 140.37 3iii s PRO 491 Ca 0.03 0.88 0.05 0.00 0.04 0.00 0.00 61.00 62.00 3iii s PRO 491 Cb -0.10 -3.33 -0.03 0.00 0.04 0.00 0.00 34.50 31.08 3iii s PRO 491 CO 0.03 0.38 -0.13 0.14 0.04 0.00 0.00 177.00 177.46 3iii s VAL 492 N -0.29 1.03 -0.12 -0.36 -7.23 0.64 -5.00 120.40 109.07 3iii s VAL 492 Ca 0.34 -1.27 -0.00 0.00 -1.81 0.00 0.00 61.98 59.24 3iii s VAL 492 Cb -0.19 -1.00 0.02 0.00 0.56 0.00 0.00 36.38 35.76 3iii s VAL 492 CO 0.20 -0.24 -0.10 -1.61 -0.31 0.00 0.00 175.10 173.04 3iii s GLU 493 N -1.71 1.76 -0.23 4.82 2.02 -1.26 -0.65 118.70 123.45 3iii s GLU 493 Ca -0.03 -0.35 -0.09 0.00 0.02 0.00 0.00 54.97 54.52 3iii s GLU 493 Cb -0.10 -1.73 -0.04 0.00 0.10 0.00 0.00 34.13 32.36 3iii s GLU 493 CO 0.02 -0.24 0.12 0.42 0.02 0.00 0.00 175.26 175.60 3iii s ILE 494 N 1.58 5.01 -0.68 -1.63 1.01 0.57 -4.87 121.20 122.20 3iii s ILE 494 Ca 0.04 0.06 -0.26 0.00 0.00 0.00 0.00 60.65 60.48 3iii s ILE 494 Cb -0.13 -3.32 -0.01 0.00 0.01 0.00 0.00 42.46 39.01 3iii s ILE 494 CO -0.08 0.36 1.68 -0.70 0.00 0.00 0.00 174.94 176.20 3iii s GLU 495 N 1.05 2.82 -0.02 2.79 2.12 -1.26 -1.47 118.70 124.72 3iii s GLU 495 Ca 0.06 0.26 -0.30 0.00 0.36 0.00 0.00 54.97 55.35 3iii s GLU 495 Cb -0.14 -4.39 -0.04 0.00 0.26 0.00 0.00 34.13 29.82 3iii s GLU 495 CO 0.04 -2.58 1.23 -0.51 -0.54 0.00 0.00 175.26 172.90 3iii s LEU 496 N 8.02 4.31 0.66 2.70 2.01 -1.26 -4.25 118.68 130.87 3iii s LEU 496 Ca 0.57 1.91 -0.14 0.00 0.01 0.00 0.00 54.13 56.48 3iii s LEU 496 Cb -0.11 -3.56 -0.00 0.00 0.01 0.00 0.00 46.19 42.53 3iii s LEU 496 CO 0.17 -0.58 1.08 -0.76 1.01 0.00 0.00 176.35 177.27 3iii s LEU 497 N 1.99 3.32 0.27 1.79 1.43 -0.77 -4.74 118.68 121.98 3iii s LEU 497 Ca 0.58 1.84 -0.31 0.00 -1.03 0.00 0.00 54.13 55.21 3iii s LEU 497 Cb -0.27 -4.53 -0.12 0.00 0.03 0.00 0.00 46.19 41.30 3iii s LEU 497 CO 0.24 -1.50 1.60 -2.65 0.23 0.00 0.00 176.35 174.27 3iii n PRO 498 N -2.59 2.64 -3.89 1.29 -0.02 -1.26 -4.66 135.00 126.51 3iii n PRO 498 Ca 0.09 0.94 -0.10 0.00 -2.02 0.00 0.00 63.50 62.41 3iii n PRO 498 Cb 0.53 -2.72 -0.09 0.00 -0.02 0.00 0.00 33.50 31.20 3iii n PRO 498 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3iii s SER 499 N 0.58 0.11 -0.12 2.55 1.04 -0.81 -4.73 113.70 112.32 3iii s SER 499 Ca 0.66 -0.44 -0.01 0.00 0.48 0.00 0.00 55.95 56.64 3iii s SER 499 Cb -0.52 0.25 0.04 0.00 0.10 0.00 0.00 66.02 65.89 3iii s SER 499 CO 0.46 -0.51 -0.01 -0.83 0.98 0.00 0.00 173.24 173.32 3iii s GLY 500 N -2.04 0.67 -0.18 7.32 0.00 -1.26 -1.27 107.32 110.56 3iii s GLY 500 Ca -0.06 -0.45 -0.16 0.00 0.00 0.00 0.00 44.72 44.05 3iii s GLY 500 CO -0.04 1.12 0.48 -1.59 0.00 0.00 0.00 173.10 173.08 3iii s THR 501 N 1.85 -0.00 -0.03 0.90 2.01 -0.45 -1.33 115.64 118.58 3iii s THR 501 Ca 0.03 0.01 -0.20 0.00 0.31 0.00 0.00 61.69 61.84 3iii s THR 501 Cb -0.14 -0.68 -0.05 0.00 0.01 0.00 0.00 72.50 71.64 3iii s THR 501 CO -0.07 0.00 0.58 -0.22 -0.69 0.00 0.00 174.62 174.23 3iii s LEU 502 N 0.44 4.38 -0.31 4.42 2.96 0.10 -1.26 118.68 129.42 3iii s LEU 502 Ca -0.01 1.10 -0.02 0.00 -0.22 0.00 0.00 54.13 54.97 3iii s LEU 502 Cb -0.04 -2.90 0.05 0.00 0.50 0.00 0.00 46.19 43.80 3iii s LEU 502 CO -0.02 0.06 0.01 -0.36 -1.32 0.00 0.00 176.35 174.73 3iii s PHE 503 N 0.06 3.27 0.67 5.38 0.08 0.29 -4.75 117.98 122.98 3iii s PHE 503 Ca 0.31 -1.86 -0.13 0.00 0.12 0.00 0.00 56.93 55.37 3iii s PHE 503 Cb -0.18 -2.15 0.00 0.00 -0.57 0.00 0.00 43.02 40.13 3iii s PHE 503 CO 0.16 -0.80 1.07 0.15 -0.10 0.00 0.00 175.22 175.69 3iii s LYS 504 N 1.26 2.95 0.08 0.44 1.02 -1.26 -0.35 119.74 123.88 3iii s LYS 504 Ca -0.05 1.10 -0.36 0.00 0.02 0.00 0.00 55.97 56.68 3iii s LYS 504 Cb -0.20 -1.99 -0.16 0.00 -0.52 0.00 0.00 37.83 34.96 3iii s LYS 504 CO -0.01 -1.10 1.41 0.94 -0.92 0.00 0.00 175.35 175.67 3iii n GLN 505 N -2.78 1.34 0.00 1.68 7.27 -1.26 -0.55 117.38 123.08 3iii n GLN 505 Ca 0.08 0.48 0.00 0.00 0.07 0.00 0.00 57.00 57.64 3iii n GLN 505 Cb 0.53 -2.16 0.00 0.00 2.41 0.00 0.00 30.24 31.03 3iii n GLN 505 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3iii n GLY 506 N 2.78 2.18 3.91 1.69 0.00 0.33 -4.93 105.19 111.16 3iii n GLY 506 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 3iii n GLY 506 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iii s GLU 507 N -0.64 3.12 -0.01 1.61 2.02 0.28 -4.29 118.70 120.80 3iii s GLU 507 Ca 0.00 0.04 0.06 0.00 0.02 0.00 0.00 54.97 55.09 3iii s GLU 507 Cb 0.00 -2.31 -0.02 0.00 0.10 0.00 0.00 34.13 31.90 3iii s GLU 507 CO 0.00 -0.54 -0.19 0.99 0.02 0.00 0.00 175.26 175.54 3iii s THR 508 N -2.90 1.51 -0.14 3.63 2.01 -0.33 -0.99 115.64 118.43 3iii s THR 508 Ca 0.52 -0.86 -0.07 0.00 0.31 0.00 0.00 61.69 61.58 3iii s THR 508 Cb -0.10 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 3iii s THR 508 CO 0.45 0.39 0.12 -0.22 -0.69 0.00 0.00 174.62 174.67 3iii s LEU 509 N -0.55 4.23 -0.10 4.42 0.20 -0.15 -0.94 118.68 125.80 3iii s LEU 509 Ca 0.07 0.35 0.01 0.00 0.69 0.00 0.00 54.13 55.25 3iii s LEU 509 Cb -0.07 -2.05 0.02 0.00 -0.43 0.00 0.00 46.19 43.65 3iii s LEU 509 CO -0.00 0.33 -0.13 -0.70 -0.29 0.00 0.00 176.35 175.55 3iii s GLU 510 N -0.53 1.92 -0.04 1.98 2.12 -0.19 -1.17 118.70 122.79 3iii s GLU 510 Ca 0.12 -0.45 -0.18 0.00 0.36 0.00 0.00 54.97 54.82 3iii s GLU 510 Cb -0.12 -1.68 -0.05 0.00 0.26 0.00 0.00 34.13 32.55 3iii s GLU 510 CO 0.02 -0.08 0.49 0.08 -0.54 0.00 0.00 175.26 175.24 3iii s VAL 511 N 1.03 5.04 -0.04 3.70 1.01 0.17 -0.63 120.40 130.67 3iii s VAL 511 Ca -0.07 1.01 0.06 0.00 0.00 0.00 0.00 61.98 62.98 3iii s VAL 511 Cb -0.15 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 3iii s VAL 511 CO -0.01 0.44 -0.21 -0.69 0.00 0.00 0.00 175.10 174.62 3iii s VAL 512 N -0.19 1.74 -0.04 2.92 1.01 -0.17 -1.08 120.40 124.60 3iii s VAL 512 Ca 0.27 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.39 3iii s VAL 512 Cb -0.17 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 3iii s VAL 512 CO 0.13 0.49 -0.17 -0.69 0.00 0.00 0.00 175.10 174.86 3iii s VAL 513 N -0.17 1.43 0.18 2.92 1.01 -0.23 -1.38 120.40 124.17 3iii s VAL 513 Ca -0.01 -0.73 -0.18 0.00 0.00 0.00 0.00 61.98 61.06 3iii s VAL 513 Cb -0.12 -1.22 0.03 0.00 0.00 0.00 0.00 36.38 35.07 3iii s VAL 513 CO 0.02 0.41 0.51 -0.75 0.00 0.00 0.00 175.10 175.29 3iii s LYS 514 N -0.07 1.32 0.00 2.72 2.20 -0.60 -1.00 119.74 124.31 3iii s LYS 514 Ca -0.01 -0.82 0.15 0.00 -0.36 0.00 0.00 55.97 54.93 3iii s LYS 514 Cb -0.10 0.52 0.45 0.00 -1.51 0.00 0.00 37.83 37.19 3iii s LYS 514 CO 0.01 -0.56 1.37 0.41 -0.36 0.00 0.00 175.35 176.22 3iii n GLY 515 N -0.33 0.94 3.73 5.54 0.00 -1.26 -1.66 105.19 112.16 3iii n GLY 515 Ca -0.11 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 3iii n GLY 515 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iii s SER 516 N -1.13 0.19 0.21 1.61 1.04 -1.26 -4.85 113.70 109.50 3iii s SER 516 Ca 0.30 -1.17 -0.32 0.00 0.48 0.00 0.00 55.95 55.25 3iii s SER 516 Cb 0.16 0.79 -0.15 0.00 0.10 0.00 0.00 66.02 66.92 3iii s SER 516 CO 0.22 -1.55 1.23 1.21 0.98 0.00 0.00 173.24 175.32 3iii n GLU 517 N -0.53 1.47 -0.05 4.02 4.07 -1.26 -4.76 120.64 123.60 3iii n GLU 517 Ca -0.06 0.52 -0.10 0.00 -0.06 0.00 0.00 57.16 57.46 3iii n GLU 517 Cb 0.60 -2.06 -0.09 0.00 -0.06 0.00 0.00 31.44 29.83 3iii n GLU 517 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 3iii h ILE 518 N 2.72 1.26 -3.40 6.31 2.04 -1.93 -3.42 117.51 121.09 3iii h ILE 518 Ca -0.43 -1.83 -0.59 0.00 1.00 0.00 0.00 64.86 63.01 3iii h ILE 518 Cb 1.32 2.33 -0.09 0.00 -0.74 0.00 0.00 36.82 39.64 3iii h ILE 518 CO 0.71 0.41 -0.06 -0.69 0.00 0.00 0.00 178.15 178.52 3iii s VAL 519 N -2.34 5.13 0.24 1.67 1.01 -1.26 -5.06 120.40 119.79 3iii s VAL 519 Ca -0.14 1.00 0.05 0.00 0.00 0.00 0.00 61.98 62.89 3iii s VAL 519 Cb -0.02 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 3iii s VAL 519 CO 0.51 0.23 0.34 0.27 0.00 0.00 0.00 175.10 176.46 3iii s ILE 520 N 1.23 5.15 0.00 2.22 -4.36 -1.26 -5.02 121.20 119.16 3iii s ILE 520 Ca 0.26 -1.03 0.00 0.00 -0.26 0.00 0.00 60.65 59.61 3iii s ILE 520 Cb -0.15 -3.80 0.00 0.00 1.25 0.00 0.00 42.46 39.75 3iii s ILE 520 CO 0.10 -0.33 0.00 0.61 0.24 0.00 0.00 174.94 175.56 3iii n GLY 521 N -1.39 -0.97 0.68 6.27 0.00 -1.26 -5.06 105.19 103.46 3iii n GLY 521 Ca -0.09 -1.65 -0.04 0.00 0.00 0.00 0.00 46.02 44.24 3iii n GLY 521 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3iii n ASN 522 N -1.00 -0.19 -1.13 1.61 0.23 -1.26 -4.99 115.26 108.53 3iii n ASN 522 Ca 0.00 -1.44 0.09 0.00 -0.53 0.00 0.00 54.58 52.70 3iii n ASN 522 Cb 0.00 0.40 0.27 0.00 -2.08 0.00 0.00 39.78 38.37 3iii n ASN 522 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3iii n SER 523 N -2.53 3.79 -3.22 0.53 3.41 -1.26 -4.58 113.62 109.78 3iii n SER 523 Ca 0.01 -2.18 -0.24 0.00 -0.26 0.00 0.00 58.87 56.20 3iii n SER 523 Cb 0.13 -0.43 -0.07 0.00 -0.26 0.00 0.00 64.21 63.58 3iii n SER 523 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3iii n THR 524 N 0.97 -0.79 -1.59 6.66 -2.24 -1.26 -4.61 114.28 111.41 3iii n THR 524 Ca 0.20 -3.72 -0.48 0.00 -2.27 0.00 0.00 64.05 57.78 3iii n THR 524 Cb 0.64 -1.71 -0.04 0.00 -2.10 0.00 0.00 70.33 67.12 3iii n THR 524 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3iii n PRO 525 N 1.79 1.31 -1.66 -0.78 -0.02 -1.26 -4.61 135.00 129.76 3iii n PRO 525 Ca 0.23 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3iii n PRO 525 Cb 0.52 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 3iii n PRO 525 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iii n GLY 526 N 2.03 0.91 2.22 -1.23 0.00 -1.26 -5.16 105.19 102.70 3iii n GLY 526 Ca 0.14 -0.56 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 3iii n GLY 526 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3iii n LYS 528 N -0.63 0.85 0.22 1.61 5.02 -1.26 -5.25 118.16 118.71 3iii n LYS 528 Ca 0.00 -3.22 0.13 0.00 -2.02 0.00 0.00 58.31 53.20 3iii n LYS 528 Cb 0.36 -1.45 0.24 0.00 -0.02 0.00 0.00 35.03 34.16 3iii n LYS 528 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3iii h THR 529 N 1.57 0.00 -2.37 -0.18 1.35 -1.93 -3.11 112.91 108.24 3iii h THR 529 Ca 0.07 -0.92 -0.49 0.00 -0.55 0.00 0.00 66.41 64.52 3iii h THR 529 Cb 0.93 1.92 -0.02 0.00 -1.73 0.00 0.00 68.15 69.26 3iii h THR 529 CO 0.47 0.00 -0.43 -0.60 -0.25 0.00 0.00 175.52 174.71 3iii s ARG 530 N -3.25 3.45 0.58 4.72 3.52 -1.26 -4.62 118.95 122.08 3iii s ARG 530 Ca 0.07 -0.67 -0.19 0.00 -0.13 0.00 0.00 55.73 54.81 3iii s ARG 530 Cb 0.06 -2.91 -0.06 0.00 -1.56 0.00 0.00 34.95 30.49 3iii s ARG 530 CO 0.65 0.45 0.96 2.48 -0.81 0.00 0.00 175.30 179.03 3iii n TYR 531 N -1.09 0.82 -4.16 5.12 0.18 -1.26 -1.05 117.16 115.71 3iii n TYR 531 Ca -0.08 0.45 -0.11 0.00 1.88 0.00 0.00 57.90 60.04 3iii n TYR 531 Cb 0.56 -2.15 -0.10 0.00 -0.38 0.00 0.00 39.34 37.27 3iii n TYR 531 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 3iii s GLU 532 N -2.64 0.82 -0.42 -3.48 2.02 -1.26 -4.73 118.70 109.01 3iii s GLU 532 Ca 0.74 -1.30 0.09 0.00 0.02 0.00 0.00 54.97 54.52 3iii s GLU 532 Cb -0.43 -0.23 0.28 0.00 0.10 0.00 0.00 34.13 33.85 3iii s GLU 532 CO 0.49 -0.01 0.62 0.72 0.02 0.00 0.00 175.26 177.10 3iii n HIS 533 N 0.06 0.36 1.33 1.61 8.25 -1.26 -0.38 115.22 125.18 3iii n HIS 533 Ca -0.13 -3.71 0.13 0.00 -0.26 0.00 0.00 57.72 53.76 3iii n HIS 533 Cb 0.60 -0.40 0.44 0.00 1.12 0.00 0.00 29.99 31.76 3iii n HIS 533 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3iii n GLU 534 N 0.97 1.03 -3.54 -0.41 -0.58 -1.26 -4.53 120.64 112.31 3iii n GLU 534 Ca 0.23 -0.58 -0.41 0.00 -0.42 0.00 0.00 57.16 55.98 3iii n GLU 534 Cb 0.55 -1.49 -0.07 0.00 -0.57 0.00 0.00 31.44 29.86 3iii n GLU 534 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3iii s GLU 535 N -2.37 2.75 0.11 3.49 2.02 -1.26 -5.07 118.70 118.37 3iii s GLU 535 Ca 0.28 -2.10 0.08 0.00 0.02 0.00 0.00 54.97 53.25 3iii s GLU 535 Cb 0.20 -3.99 -0.04 0.00 0.10 0.00 0.00 34.13 30.39 3iii s GLU 535 CO 0.47 -1.21 -0.15 -0.08 0.02 0.00 0.00 175.26 174.30 3iii s THR 536 N 0.76 3.01 -1.95 3.63 -1.32 -1.26 -4.69 115.64 113.81 3iii s THR 536 Ca 0.11 -1.41 0.27 0.00 -1.21 0.00 0.00 61.69 59.45 3iii s THR 536 Cb -0.21 -2.39 0.39 0.00 -1.51 0.00 0.00 72.50 68.78 3iii s THR 536 CO -0.03 0.11 1.67 1.33 -2.21 0.00 0.00 174.62 175.50 3iii n VAL 537 N 0.80 0.00 -1.96 5.08 0.24 -1.26 -4.99 118.33 116.23 3iii n VAL 537 Ca -0.15 -0.15 -0.42 0.00 -2.04 0.00 0.00 64.34 61.59 3iii n VAL 537 Cb 0.53 0.33 -0.02 0.00 -1.47 0.00 0.00 33.84 33.21 3iii n VAL 537 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3iii s ASN 538 N -2.34 6.60 -0.14 -1.34 0.01 -1.26 -4.69 114.94 111.77 3iii s ASN 538 Ca 0.29 2.68 -0.07 0.00 -0.71 0.00 0.00 52.86 55.06 3iii s ASN 538 Cb 0.20 -2.62 0.06 0.00 0.41 0.00 0.00 41.25 39.30 3iii s ASN 538 CO 0.46 -0.76 0.33 -0.75 -1.51 0.00 0.00 177.10 174.87 3iii s LYS 539 N 0.06 0.28 0.92 -0.60 2.20 -1.26 -4.89 119.74 116.46 3iii s LYS 539 Ca 0.63 0.72 0.00 0.00 -0.36 0.00 0.00 55.97 56.96 3iii s LYS 539 Cb -0.43 -0.02 0.00 0.00 -1.51 0.00 0.00 37.83 35.87 3iii s LYS 539 CO 0.40 -0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.61 3iii n GLY 540 N 4.56 1.90 0.00 5.54 0.00 -1.26 -4.30 105.19 111.64 3iii n GLY 540 Ca -0.20 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3iii n GLY 540 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3iii n HIS 542 N 0.00 -0.57 0.00 1.61 8.25 -0.17 -1.36 115.22 122.97 3iii n HIS 542 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3iii n HIS 542 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3iii n HIS 542 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3iii n ILE 544 N 0.00 0.00 -4.07 1.59 2.08 0.10 -1.72 119.36 117.33 3iii n ILE 544 Ca 0.00 0.00 -0.35 0.00 0.56 0.00 0.00 62.75 62.96 3iii n ILE 544 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 39.64 38.81 3iii n ILE 544 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 3iii s TYR 545 N 0.00 3.33 0.07 1.39 2.02 0.94 -0.62 117.35 124.48 3iii s TYR 545 Ca 0.00 0.25 0.03 0.00 -0.37 0.00 0.00 57.07 56.98 3iii s TYR 545 Cb 0.00 -1.95 -0.03 0.00 -0.40 0.00 0.00 41.96 39.58 3iii s TYR 545 CO 0.00 0.43 -0.08 0.95 -1.57 0.00 0.00 175.55 175.27 3iii s THR 546 N -0.43 0.69 0.00 -0.71 -4.23 -0.38 -3.98 115.64 106.61 3iii s THR 546 Ca 0.10 -1.40 0.00 0.00 -1.18 0.00 0.00 61.69 59.21 3iii s THR 546 Cb -0.12 -1.03 0.00 0.00 1.34 0.00 0.00 72.50 72.69 3iii s THR 546 CO 0.02 -0.52 0.00 0.61 -0.54 0.00 0.00 174.62 174.19 3iii n GLY 547 N 0.93 -0.39 7.00 3.99 0.00 -0.34 -0.33 105.19 116.06 3iii n GLY 547 Ca -0.19 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.21 3iii n GLY 547 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iii n GLY 548 N -0.07 3.15 0.20 -0.02 0.00 0.36 -1.02 105.19 107.78 3iii n GLY 548 Ca 0.00 -0.24 0.14 0.00 0.00 0.00 0.00 46.02 45.93 3iii n GLY 548 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3iii h LYS 549 N 0.00 0.00 -3.99 1.61 2.10 -1.90 -3.36 116.57 111.02 3iii h LYS 549 Ca 0.00 0.00 -0.75 0.00 -2.00 0.00 0.00 60.65 57.90 3iii h LYS 549 Cb 0.00 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 31.16 3iii h LYS 549 CO 0.00 0.00 1.63 0.66 -2.00 0.00 0.00 179.45 179.74 3iii n TYR 550 N -2.51 3.84 -1.13 0.07 4.01 -0.19 -4.88 117.16 116.38 3iii n TYR 550 Ca -0.00 -3.06 -0.26 0.00 -0.16 0.00 0.00 57.90 54.43 3iii n TYR 550 Cb 0.15 -2.00 -0.09 0.00 -0.31 0.00 0.00 39.34 37.08 3iii n TYR 550 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3iii n ASP 551 N 4.42 6.91 -4.71 7.72 5.75 -1.26 -1.20 116.55 134.19 3iii n ASP 551 Ca 0.37 -2.51 -0.43 0.00 -0.01 0.00 0.00 54.79 52.22 3iii n ASP 551 Cb 0.39 -1.46 -0.03 0.00 -1.03 0.00 0.00 41.12 38.99 3iii n ASP 551 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3iii n SER 552 N 3.10 3.87 -3.46 -1.12 7.64 -1.26 -4.90 113.62 117.49 3iii n SER 552 Ca 0.60 1.06 -0.14 0.00 1.01 0.00 0.00 58.87 61.41 3iii n SER 552 Cb 0.54 -1.55 -0.03 0.00 -1.01 0.00 0.00 64.21 62.15 3iii n SER 552 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3iii s GLN 553 N 1.15 1.20 -0.23 1.43 -2.07 -0.48 -1.78 119.66 118.88 3iii s GLN 553 Ca 0.76 -0.26 -0.05 0.00 -1.82 0.00 0.00 55.36 53.98 3iii s GLN 553 Cb -0.53 0.56 -0.02 0.00 -1.09 0.00 0.00 33.01 31.93 3iii s GLN 553 CO 0.33 -0.48 0.01 -1.17 -1.32 0.00 0.00 175.29 172.66 3iii s LEU 554 N -2.27 3.15 -0.19 2.60 2.96 0.23 -0.33 118.68 124.83 3iii s LEU 554 Ca -0.03 -0.30 -0.22 0.00 -0.22 0.00 0.00 54.13 53.35 3iii s LEU 554 Cb -0.01 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.84 3iii s LEU 554 CO -0.06 -0.03 0.70 -0.63 -1.32 0.00 0.00 176.35 175.02 3iii s ILE 555 N 1.54 4.97 -0.03 6.68 -1.09 0.36 -0.70 121.20 132.92 3iii s ILE 555 Ca 0.06 1.35 0.06 0.00 -2.23 0.00 0.00 60.65 59.89 3iii s ILE 555 Cb -0.15 -4.01 -0.02 0.00 -1.58 0.00 0.00 42.46 36.70 3iii s ILE 555 CO -0.00 0.08 -0.20 0.27 -1.23 0.00 0.00 174.94 173.86 3iii s ILE 556 N 2.01 2.58 -1.00 2.92 -4.36 -0.38 -2.58 121.20 120.39 3iii s ILE 556 Ca 0.32 -0.93 -0.16 0.00 -0.26 0.00 0.00 60.65 59.62 3iii s ILE 556 Cb -0.16 -1.96 0.17 0.00 1.25 0.00 0.00 42.46 41.75 3iii s ILE 556 CO 0.11 0.57 1.14 -2.16 0.24 0.00 0.00 174.94 174.84 3iii s PRO 557 N -0.72 3.77 -0.08 0.37 0.04 -1.26 -1.20 135.00 135.93 3iii s PRO 557 Ca 0.11 -2.20 -0.30 0.00 0.04 0.00 0.00 61.00 58.65 3iii s PRO 557 Cb -0.10 -4.84 -0.02 0.00 0.04 0.00 0.00 34.50 29.58 3iii s PRO 557 CO 0.00 -1.65 1.00 0.42 0.04 0.00 0.00 177.00 176.81 3iii s ILE 558 N 1.67 4.81 0.29 0.56 1.01 -0.90 -1.82 121.20 126.82 3iii s ILE 558 Ca 0.33 2.05 0.04 0.00 0.00 0.00 0.00 60.65 63.07 3iii s ILE 558 Cb -0.06 -4.32 -0.06 0.00 0.01 0.00 0.00 42.46 38.04 3iii s ILE 558 CO -0.07 0.04 0.02 0.68 0.00 0.00 0.00 174.94 175.61 3iii s VAL 559 N 1.76 1.26 0.00 2.92 -7.23 0.14 -0.02 120.40 119.23 3iii s VAL 559 Ca 0.49 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.63 3iii s VAL 559 Cb -0.19 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.14 3iii s VAL 559 CO 0.20 -0.15 0.00 0.59 -0.31 0.00 0.00 175.10 175.44