#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ira n LYS 2 N 0.00 1.26 -3.75 -0.67 4.81 -1.26 -4.72 118.16 113.83 1ira n LYS 2 Ca 0.00 -0.32 -0.13 0.00 -0.87 0.00 0.00 58.31 57.00 1ira n LYS 2 Cb 0.00 -1.34 -0.13 0.00 0.02 0.00 0.00 35.03 33.57 1ira n LYS 2 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ira h LYS 4 N 6.91 -0.02 -2.40 0.00 1.57 -1.10 -3.45 116.57 118.07 1ira h LYS 4 Ca -0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1ira h LYS 4 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1ira h LYS 4 CO 0.40 -0.01 -0.49 -1.91 -0.57 0.00 0.00 179.45 176.87 1ira n GLU 5 N -5.46 -2.77 -3.66 3.15 4.07 -1.25 -4.90 120.64 109.82 1ira n GLU 5 Ca 0.08 2.10 -0.15 0.00 -0.06 0.00 0.00 57.16 59.14 1ira n GLU 5 Cb 0.36 -2.15 -0.08 0.00 -0.06 0.00 0.00 31.44 29.51 1ira n GLU 5 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 1ira s ARG 6 N -2.42 0.81 -0.11 5.31 3.52 0.57 -4.88 118.95 121.76 1ira s ARG 6 Ca 0.00 0.11 0.01 0.00 -0.13 0.00 0.00 55.73 55.73 1ira s ARG 6 Cb 0.00 0.37 -0.01 0.00 -1.56 0.00 0.00 34.95 33.75 1ira s ARG 6 CO 0.00 -0.22 -0.16 -2.00 -0.81 0.00 0.00 175.30 172.11 1ira s GLU 7 N -1.04 3.16 -0.04 5.12 2.12 -1.26 -0.37 118.70 126.38 1ira s GLU 7 Ca -0.11 -0.73 -0.26 0.00 0.36 0.00 0.00 54.97 54.23 1ira s GLU 7 Cb -0.03 -2.51 -0.03 0.00 0.26 0.00 0.00 34.13 31.82 1ira s GLU 7 CO 0.06 0.27 0.82 -1.21 -0.54 0.00 0.00 175.26 174.66 1ira s GLU 8 N 0.17 4.48 0.15 4.30 0.41 -0.77 -4.93 118.70 122.51 1ira s GLU 8 Ca -0.09 1.10 0.01 0.00 -0.41 0.00 0.00 54.97 55.58 1ira s GLU 8 Cb -0.15 -3.46 -0.07 0.00 -1.78 0.00 0.00 34.13 28.67 1ira s GLU 8 CO 0.05 0.00 1.33 0.87 -0.49 0.00 0.00 175.26 177.03 1ira h LYS 9 N 6.80 0.22 -6.24 1.61 1.57 -1.99 -3.44 116.57 115.09 1ira h LYS 9 Ca -0.41 -0.26 -0.56 0.00 -1.87 0.00 0.00 60.65 57.55 1ira h LYS 9 Cb 1.20 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.56 1ira h LYS 9 CO 0.76 1.01 1.02 0.42 -0.57 0.00 0.00 179.45 182.09 1ira s ILE 10 N -3.11 3.92 -0.37 1.86 -1.09 -1.26 -4.99 121.20 116.15 1ira s ILE 10 Ca -0.03 1.08 -0.08 0.00 -2.23 0.00 0.00 60.65 59.39 1ira s ILE 10 Cb 0.10 -3.79 0.05 0.00 -1.58 0.00 0.00 42.46 37.24 1ira s ILE 10 CO 0.84 -0.20 0.17 -0.51 -1.23 0.00 0.00 174.94 174.01 1ira s ILE 11 N 4.22 4.00 -0.22 2.92 2.07 -1.26 -4.61 121.20 128.32 1ira s ILE 11 Ca 0.64 -1.23 -0.26 0.00 -1.41 0.00 0.00 60.65 58.39 1ira s ILE 11 Cb -0.25 -3.34 -0.00 0.00 0.13 0.00 0.00 42.46 38.99 1ira s ILE 11 CO 0.24 -0.32 0.89 -0.22 -1.91 0.00 0.00 174.94 173.62 1ira s LEU 12 N 1.41 4.11 -0.22 8.50 2.96 -1.24 -4.97 118.68 129.24 1ira s LEU 12 Ca 0.01 1.17 -0.14 0.00 -0.22 0.00 0.00 54.13 54.95 1ira s LEU 12 Cb -0.21 -3.30 -0.04 0.00 0.50 0.00 0.00 46.19 43.14 1ira s LEU 12 CO 0.03 -0.53 0.30 -0.69 -1.32 0.00 0.00 176.35 174.14 1ira s VAL 13 N 2.76 5.26 0.38 1.68 1.01 -1.26 -2.95 120.40 127.28 1ira s VAL 13 Ca 0.38 0.49 0.08 0.00 0.00 0.00 0.00 61.98 62.93 1ira s VAL 13 Cb -0.16 -3.64 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 1ira s VAL 13 CO 0.08 0.28 -0.01 -0.44 0.00 0.00 0.00 175.10 175.02 1ira s SER 14 N 1.10 3.92 0.18 3.32 0.01 0.01 -4.77 113.70 117.48 1ira s SER 14 Ca 0.14 -1.25 -0.15 0.00 1.31 0.00 0.00 55.95 56.00 1ira s SER 14 Cb -0.14 -0.41 -0.07 0.00 0.21 0.00 0.00 66.02 65.61 1ira s SER 14 CO 0.07 -0.36 0.60 -0.44 0.41 0.00 0.00 173.24 173.52 1ira s SER 15 N -3.70 6.85 0.70 2.44 0.01 -1.26 -0.70 113.70 118.05 1ira s SER 15 Ca 0.35 1.15 -0.11 0.00 1.31 0.00 0.00 55.95 58.64 1ira s SER 15 Cb 0.06 -2.32 0.01 0.00 0.21 0.00 0.00 66.02 63.99 1ira s SER 15 CO 0.18 0.05 1.08 0.00 0.41 0.00 0.00 173.24 174.96 1ira s ALA 16 N -1.54 2.80 -1.45 1.44 0.00 0.15 -3.95 121.76 119.21 1ira s ALA 16 Ca 0.41 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.15 1ira s ALA 16 Cb -0.15 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1ira s ALA 16 CO 0.20 -1.16 0.00 0.09 0.00 0.00 0.00 175.76 174.89 1ira n ASN 17 N -3.04 -5.02 -4.21 0.00 3.02 0.12 -4.95 115.26 101.17 1ira n ASN 17 Ca 0.07 0.34 -0.14 0.00 -0.03 0.00 0.00 54.58 54.81 1ira n ASN 17 Cb 0.56 -3.73 -0.10 0.00 -0.61 0.00 0.00 39.78 35.90 1ira n ASN 17 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ira s GLU 18 N -3.09 0.96 0.39 3.52 2.02 -1.25 -4.75 118.70 116.50 1ira s GLU 18 Ca 0.00 -1.30 -0.24 0.00 0.02 0.00 0.00 54.97 53.45 1ira s GLU 18 Cb 0.00 -0.60 -0.09 0.00 0.10 0.00 0.00 34.13 33.54 1ira s GLU 18 CO 0.00 0.08 1.02 -1.50 0.02 0.00 0.00 175.26 174.88 1ira s ILE 19 N -2.84 3.90 0.02 -1.63 2.07 -1.18 -0.63 121.20 120.91 1ira s ILE 19 Ca 0.11 1.44 -0.12 0.00 -1.41 0.00 0.00 60.65 60.68 1ira s ILE 19 Cb -0.00 -3.74 0.01 0.00 0.13 0.00 0.00 42.46 38.86 1ira s ILE 19 CO 0.00 -0.00 0.25 -0.62 -1.91 0.00 0.00 174.94 172.66 1ira s ASP 20 N -1.65 -0.07 0.00 4.50 2.15 -0.95 -4.87 116.67 115.79 1ira s ASP 20 Ca 0.57 -0.19 0.03 0.00 0.43 0.00 0.00 52.55 53.39 1ira s ASP 20 Cb -0.20 0.31 -0.01 0.00 -0.30 0.00 0.00 42.92 42.72 1ira s ASP 20 CO 0.25 -0.53 -0.09 -0.69 -0.17 0.00 0.00 175.17 173.94 1ira s VAL 21 N -2.15 0.72 -0.13 1.11 1.01 -1.26 -1.25 120.40 118.45 1ira s VAL 21 Ca -0.08 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 1ira s VAL 21 Cb -0.03 -0.63 0.04 0.00 0.00 0.00 0.00 36.38 35.76 1ira s VAL 21 CO -0.01 0.12 -0.03 -0.13 0.00 0.00 0.00 175.10 175.05 1ira s ARG 22 N -0.44 1.11 0.57 2.72 1.81 -0.18 -4.97 118.95 119.56 1ira s ARG 22 Ca 0.02 -0.25 -0.04 0.00 -1.72 0.00 0.00 55.73 53.74 1ira s ARG 22 Cb -0.04 -1.61 0.01 0.00 -0.45 0.00 0.00 34.95 32.86 1ira s ARG 22 CO -0.00 -0.38 0.85 -1.25 -0.68 0.00 0.00 175.30 173.83 1ira s PRO 23 N 1.78 2.84 -0.43 3.54 0.04 -1.26 -0.75 135.00 140.76 1ira s PRO 23 Ca 0.03 -0.22 -0.28 0.00 0.04 0.00 0.00 61.00 60.56 1ira s PRO 23 Cb -0.14 -2.35 0.03 0.00 0.04 0.00 0.00 34.50 32.08 1ira s PRO 23 CO -0.07 -0.66 1.08 0.00 0.04 0.00 0.00 177.00 177.39 1ira n PRO 25 N 7.46 0.63 -5.04 0.00 -0.04 -1.26 -4.90 135.00 131.85 1ira n PRO 25 Ca 0.11 -1.76 -0.29 0.00 -0.04 0.00 0.00 63.50 61.52 1ira n PRO 25 Cb 0.48 -3.44 -0.15 0.00 -0.04 0.00 0.00 33.50 30.35 1ira n PRO 25 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ira s LEU 26 N 9.93 2.08 0.75 1.53 1.43 -1.26 -5.07 118.68 128.08 1ira s LEU 26 Ca 0.73 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 53.25 1ira s LEU 26 Cb 0.03 -1.18 0.05 0.00 0.03 0.00 0.00 46.19 45.12 1ira s LEU 26 CO 0.20 0.26 1.08 0.20 0.23 0.00 0.00 176.35 178.33 1ira s ASN 27 N -0.76 4.69 0.37 2.29 -0.87 -1.26 -4.86 114.94 114.54 1ira s ASN 27 Ca 0.09 1.78 0.15 0.00 -1.57 0.00 0.00 52.86 53.32 1ira s ASN 27 Cb -0.09 -2.52 1.03 0.00 -0.02 0.00 0.00 41.25 39.65 1ira s ASN 27 CO 0.00 -1.91 1.75 -0.65 -2.57 0.00 0.00 177.10 173.72 1ira h PRO 28 N -1.02 0.44 0.00 -0.60 0.11 -2.01 0.16 132.00 129.08 1ira h PRO 28 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1ira h PRO 28 Cb 1.23 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1ira h PRO 28 CO 0.52 0.29 0.00 0.27 -0.21 0.00 0.00 178.00 178.88 1ira n ASN 29 N -4.73 0.00 -2.53 -2.05 6.94 -1.26 -3.07 115.26 108.56 1ira n ASN 29 Ca 0.26 -1.10 -0.12 0.00 -0.02 0.00 0.00 54.58 53.60 1ira n ASN 29 Cb 0.84 0.00 0.03 0.00 -2.36 0.00 0.00 39.78 38.30 1ira n ASN 29 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1ira n GLU 30 N -0.58 2.36 -2.41 -3.83 1.02 0.57 -4.85 120.64 112.92 1ira n GLU 30 Ca 0.02 -3.78 -0.16 0.00 -0.02 0.00 0.00 57.16 53.22 1ira n GLU 30 Cb 0.01 -1.81 0.03 0.00 -0.02 0.00 0.00 31.44 29.65 1ira n GLU 30 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1ira n HIS 31 N -0.50 2.29 -0.05 -0.32 8.25 -1.18 -4.77 115.22 118.94 1ira n HIS 31 Ca 0.22 -2.45 -0.16 0.00 -0.26 0.00 0.00 57.72 55.07 1ira n HIS 31 Cb 0.83 -0.26 -0.14 0.00 1.12 0.00 0.00 29.99 31.54 1ira n HIS 31 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1ira n LYS 32 N -0.55 0.69 -3.61 -0.41 2.85 -1.26 -5.00 118.16 110.88 1ira n LYS 32 Ca 0.29 0.21 -0.21 0.00 -1.05 0.00 0.00 58.31 57.55 1ira n LYS 32 Cb 0.84 -1.66 -0.03 0.00 -0.65 0.00 0.00 35.03 33.53 1ira n LYS 32 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1ira s GLY 33 N -5.64 2.05 0.27 2.58 0.00 -1.25 -4.98 107.32 100.35 1ira s GLY 33 Ca -0.18 -1.83 -0.29 0.00 0.00 0.00 0.00 44.72 42.41 1ira s GLY 33 CO 0.76 -1.67 1.14 -0.51 0.00 0.00 0.00 173.10 172.82 1ira s THR 34 N -2.43 3.39 0.06 0.90 -4.23 -1.11 -4.60 115.64 107.62 1ira s THR 34 Ca 0.47 1.36 -0.17 0.00 -1.18 0.00 0.00 61.69 62.17 1ira s THR 34 Cb -0.04 -3.87 -0.06 0.00 1.34 0.00 0.00 72.50 69.87 1ira s THR 34 CO 0.28 0.31 0.51 -0.63 -0.54 0.00 0.00 174.62 174.55 1ira s ILE 35 N -0.98 4.85 -0.03 2.99 1.01 -1.25 -2.82 121.20 124.97 1ira s ILE 35 Ca 0.46 1.03 -0.00 0.00 0.00 0.00 0.00 60.65 62.14 1ira s ILE 35 Cb -0.33 -3.81 0.03 0.00 0.01 0.00 0.00 42.46 38.35 1ira s ILE 35 CO 0.42 0.51 0.03 -0.89 0.00 0.00 0.00 174.94 175.02 1ira s THR 36 N -1.16 -0.03 0.23 2.92 2.01 -0.38 -4.83 115.64 114.40 1ira s THR 36 Ca 0.29 0.25 -0.09 0.00 0.31 0.00 0.00 61.69 62.45 1ira s THR 36 Cb -0.18 -0.13 -0.07 0.00 0.01 0.00 0.00 72.50 72.14 1ira s THR 36 CO 0.17 0.12 0.54 0.26 -0.69 0.00 0.00 174.62 175.02 1ira s TRP 37 N 1.33 3.44 0.03 4.92 0.52 -1.26 -0.66 118.94 127.26 1ira s TRP 37 Ca -0.06 0.81 -0.00 0.00 0.02 0.00 0.00 56.10 56.87 1ira s TRP 37 Cb -0.13 -2.22 -0.03 0.00 -1.15 0.00 0.00 33.47 29.95 1ira s TRP 37 CO -0.03 0.27 -0.03 0.71 0.02 0.00 0.00 176.95 177.89 1ira s TYR 38 N -1.85 0.38 0.00 -1.98 1.51 0.11 -1.68 117.35 113.85 1ira s TYR 38 Ca 0.46 -0.77 0.00 0.00 -1.01 0.00 0.00 57.07 55.75 1ira s TYR 38 Cb -0.11 -0.28 0.00 0.00 -0.11 0.00 0.00 41.96 41.46 1ira s TYR 38 CO 0.23 -0.27 0.00 0.36 -1.11 0.00 0.00 175.55 174.76 1ira n LYS 39 N 0.93 1.30 -0.31 -0.62 2.85 -0.39 -0.84 118.16 121.07 1ira n LYS 39 Ca -0.20 0.00 0.26 0.00 -1.05 0.00 0.00 58.31 57.33 1ira n LYS 39 Cb 0.58 0.00 0.44 0.00 -0.65 0.00 0.00 35.03 35.40 1ira n LYS 39 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1ira n ASP 40 N -1.10 0.12 -4.44 -5.58 5.68 -1.15 -4.02 116.55 106.07 1ira n ASP 40 Ca 0.00 0.86 -0.33 0.00 -0.50 0.00 0.00 54.79 54.82 1ira n ASP 40 Cb 0.00 -0.43 -0.13 0.00 -1.14 0.00 0.00 41.12 39.42 1ira n ASP 40 CO 0.00 0.00 0.00 1.51 -1.33 0.00 0.00 177.20 177.38 1ira s ASP 41 N -4.35 4.19 0.00 -1.12 1.47 -1.26 -4.93 116.67 110.67 1ira s ASP 41 Ca -0.05 -0.23 0.00 0.00 1.18 0.00 0.00 52.55 53.45 1ira s ASP 41 Cb 0.20 -1.37 0.00 0.00 -0.34 0.00 0.00 42.92 41.41 1ira s ASP 41 CO 0.53 0.24 0.50 -0.24 0.68 0.00 0.00 175.17 176.88 1ira n SER 42 N 3.03 0.00 -0.07 2.11 2.88 -1.26 -2.40 113.62 117.92 1ira n SER 42 Ca -0.18 0.04 -0.05 0.00 -1.33 0.00 0.00 58.87 57.36 1ira n SER 42 Cb 0.53 -0.04 -0.14 0.00 -0.75 0.00 0.00 64.21 63.80 1ira n SER 42 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1ira n LYS 43 N -1.00 1.03 -2.93 -1.46 5.02 -1.26 -4.89 118.16 112.67 1ira n LYS 43 Ca 0.00 -0.04 -0.43 0.00 -2.02 0.00 0.00 58.31 55.82 1ira n LYS 43 Cb 0.00 -1.45 -0.05 0.00 -0.02 0.00 0.00 35.03 33.52 1ira n LYS 43 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1ira s THR 44 N -2.61 4.60 0.55 -0.18 2.01 -1.01 -5.03 115.64 113.96 1ira s THR 44 Ca -0.08 0.50 -0.18 0.00 0.31 0.00 0.00 61.69 62.24 1ira s THR 44 Cb 0.07 -4.36 -0.05 0.00 0.01 0.00 0.00 72.50 68.17 1ira s THR 44 CO 0.73 -0.76 1.06 -2.16 -0.69 0.00 0.00 174.62 172.80 1ira s PRO 45 N 3.42 3.46 0.31 4.92 0.04 -1.26 -1.26 135.00 144.63 1ira s PRO 45 Ca 0.32 1.33 -0.26 0.00 0.04 0.00 0.00 61.00 62.43 1ira s PRO 45 Cb -0.12 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 32.28 1ira s PRO 45 CO 0.23 -0.71 0.92 0.08 0.04 0.00 0.00 177.00 177.56 1ira s VAL 46 N -2.18 4.24 0.43 -0.36 1.01 -0.67 -4.74 120.40 118.12 1ira s VAL 46 Ca 0.66 1.78 -0.22 0.00 0.00 0.00 0.00 61.98 64.20 1ira s VAL 46 Cb -0.18 -4.01 -0.12 0.00 0.00 0.00 0.00 36.38 32.07 1ira s VAL 46 CO 0.30 0.17 0.59 -0.24 0.00 0.00 0.00 175.10 175.91 1ira n SER 47 N 0.63 -0.70 -0.14 3.32 2.88 -1.26 -4.62 113.62 113.72 1ira n SER 47 Ca 0.01 0.91 0.06 0.00 -1.33 0.00 0.00 58.87 58.53 1ira n SER 47 Cb 0.50 -1.14 -0.03 0.00 -0.75 0.00 0.00 64.21 62.79 1ira n SER 47 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1ira n THR 48 N -0.87 0.00 -2.88 2.46 -1.04 -1.26 -0.61 114.28 110.09 1ira n THR 48 Ca 0.11 -0.29 -0.43 0.00 -2.04 0.00 0.00 64.05 61.40 1ira n THR 48 Cb 0.40 1.08 -0.05 0.00 -1.82 0.00 0.00 70.33 69.94 1ira n THR 48 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1ira s GLU 49 N -1.87 3.50 0.43 -2.82 2.02 -1.26 -4.81 118.70 113.90 1ira s GLU 49 Ca 0.08 0.08 0.15 0.00 0.02 0.00 0.00 54.97 55.30 1ira s GLU 49 Cb 0.10 -3.92 0.83 0.00 0.10 0.00 0.00 34.13 31.23 1ira s GLU 49 CO 0.41 -1.16 1.38 1.96 0.02 0.00 0.00 175.26 177.87 1ira h GLN 50 N 9.00 0.00 0.00 1.61 4.20 -1.91 -1.30 115.11 126.71 1ira h GLN 50 Ca -0.24 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.39 1ira h GLN 50 Cb 1.08 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.85 1ira h GLN 50 CO 1.00 0.00 -0.38 0.00 -0.67 0.00 0.00 178.83 178.77 1ira h ALA 51 N 1.04 1.14 -2.29 3.87 0.00 -2.00 -3.45 119.26 117.58 1ira h ALA 51 Ca 0.00 -0.35 -0.48 0.00 0.00 0.00 0.00 54.91 54.08 1ira h ALA 51 Cb 0.79 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1ira h ALA 51 CO 0.00 0.48 0.15 -1.54 0.00 0.00 0.00 179.25 178.34 1ira s SER 52 N -6.62 6.84 0.00 0.00 1.04 -0.49 -5.03 113.70 109.44 1ira s SER 52 Ca -0.01 1.38 0.00 0.00 0.48 0.00 0.00 55.95 57.79 1ira s SER 52 Cb 0.13 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.83 1ira s SER 52 CO 0.70 -0.21 0.46 0.54 0.98 0.00 0.00 173.24 175.71 1ira n ARG 53 N -0.29 0.00 -2.64 4.02 1.74 -1.26 -4.08 116.66 114.16 1ira n ARG 53 Ca 0.04 0.29 -0.43 0.00 -0.77 0.00 0.00 57.85 56.98 1ira n ARG 53 Cb 0.53 -0.96 -0.02 0.00 -1.02 0.00 0.00 32.46 30.99 1ira n ARG 53 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ira s ILE 54 N -0.92 4.28 0.10 0.55 1.01 -1.25 -2.24 121.20 122.72 1ira s ILE 54 Ca 0.00 1.22 -0.10 0.00 0.00 0.00 0.00 60.65 61.77 1ira s ILE 54 Cb 0.00 -4.56 0.00 0.00 0.01 0.00 0.00 42.46 37.91 1ira s ILE 54 CO 0.00 -0.92 0.22 -1.38 0.00 0.00 0.00 174.94 172.86 1ira s HIS 55 N 4.26 0.11 -0.13 3.97 -3.43 -0.75 -4.31 115.29 115.01 1ira s HIS 55 Ca 0.46 -0.53 -0.06 0.00 -0.80 0.00 0.00 55.06 54.13 1ira s HIS 55 Cb -0.08 -0.01 -0.04 0.00 -1.43 0.00 0.00 32.58 31.02 1ira s HIS 55 CO 0.29 -0.58 0.09 1.14 -2.00 0.00 0.00 174.74 173.69 1ira s GLN 56 N -3.86 3.54 -0.16 -0.38 -2.07 0.22 -0.70 119.66 116.24 1ira s GLN 56 Ca 0.05 -0.25 -0.12 0.00 -1.82 0.00 0.00 55.36 53.22 1ira s GLN 56 Cb 0.04 -3.13 0.05 0.00 -1.09 0.00 0.00 33.01 28.88 1ira s GLN 56 CO -0.11 0.60 0.42 -1.58 -1.32 0.00 0.00 175.29 173.30 1ira s HIS 57 N -0.54 -0.53 -1.41 9.60 2.46 -0.20 -4.69 115.29 119.99 1ira s HIS 57 Ca 0.11 1.20 -0.08 0.00 0.47 0.00 0.00 55.06 56.76 1ira s HIS 57 Cb -0.12 0.21 0.04 0.00 -0.13 0.00 0.00 32.58 32.58 1ira s HIS 57 CO 0.02 -0.28 0.99 1.63 -2.47 0.00 0.00 174.74 174.64 1ira n LYS 58 N 3.47 -6.25 -0.97 2.88 4.76 -1.26 -1.54 118.16 119.25 1ira n LYS 58 Ca -0.18 0.69 0.00 0.00 -2.87 0.00 0.00 58.31 55.96 1ira n LYS 58 Cb 0.56 -5.59 0.00 0.00 -1.84 0.00 0.00 35.03 28.17 1ira n LYS 58 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1ira n GLU 59 N -4.65 -1.72 -4.35 1.97 1.02 -1.26 -4.96 120.64 106.69 1ira n GLU 59 Ca -0.06 0.43 -0.27 0.00 -0.02 0.00 0.00 57.16 57.23 1ira n GLU 59 Cb 0.58 -4.80 -0.11 0.00 -0.02 0.00 0.00 31.44 27.09 1ira n GLU 59 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1ira s LYS 60 N -1.78 1.79 -0.17 3.49 1.02 -0.59 -4.42 119.74 119.08 1ira s LYS 60 Ca 0.00 -1.38 -0.21 0.00 0.02 0.00 0.00 55.97 54.40 1ira s LYS 60 Cb 0.00 -2.01 -0.03 0.00 -0.52 0.00 0.00 37.83 35.27 1ira s LYS 60 CO 0.00 0.42 0.65 -1.17 -0.92 0.00 0.00 175.35 174.33 1ira s LEU 61 N -2.70 4.18 -0.11 3.17 2.96 0.07 -1.04 118.68 125.20 1ira s LEU 61 Ca 0.22 0.91 -0.01 0.00 -0.22 0.00 0.00 54.13 55.04 1ira s LEU 61 Cb -0.09 -2.94 -0.02 0.00 0.50 0.00 0.00 46.19 43.64 1ira s LEU 61 CO 0.12 -0.25 -0.09 0.26 -1.32 0.00 0.00 176.35 175.08 1ira s TRP 62 N 1.71 2.90 -0.59 5.38 0.52 0.12 -1.01 118.94 127.98 1ira s TRP 62 Ca 0.31 -0.31 -0.00 0.00 0.02 0.00 0.00 56.10 56.11 1ira s TRP 62 Cb -0.16 -1.83 0.15 0.00 -1.15 0.00 0.00 33.47 30.48 1ira s TRP 62 CO 0.11 0.02 0.38 -0.06 0.02 0.00 0.00 176.95 177.42 1ira s PHE 63 N -0.05 3.33 -0.76 -1.98 0.40 -0.38 -1.81 117.98 116.73 1ira s PHE 63 Ca -0.01 -2.88 -0.02 0.00 -0.60 0.00 0.00 56.93 53.42 1ira s PHE 63 Cb -0.14 -3.07 0.19 0.00 0.51 0.00 0.00 43.02 40.52 1ira s PHE 63 CO 0.03 -0.81 0.60 0.08 0.70 0.00 0.00 175.22 175.83 1ira s VAL 64 N -0.14 3.93 0.48 -0.44 1.01 -0.95 -2.23 120.40 122.05 1ira s VAL 64 Ca 0.17 -3.52 0.07 0.00 0.00 0.00 0.00 61.98 58.70 1ira s VAL 64 Cb -0.22 -3.50 0.03 0.00 0.00 0.00 0.00 36.38 32.69 1ira s VAL 64 CO -0.02 -0.99 0.65 -2.16 0.00 0.00 0.00 175.10 172.58 1ira s PRO 65 N -0.81 2.66 0.24 2.72 0.04 -1.26 -4.28 135.00 134.31 1ira s PRO 65 Ca 0.23 -1.21 -0.24 0.00 0.04 0.00 0.00 61.00 59.81 1ira s PRO 65 Cb -0.13 -2.68 -0.09 0.00 0.04 0.00 0.00 34.50 31.65 1ira s PRO 65 CO -0.09 -0.48 0.82 0.00 0.04 0.00 0.00 177.00 177.29 1ira s ALA 66 N -2.50 3.36 0.04 8.56 0.00 0.19 -4.83 121.76 126.59 1ira s ALA 66 Ca 0.57 0.36 0.04 0.00 0.00 0.00 0.00 51.96 52.93 1ira s ALA 66 Cb -0.09 -3.00 -0.02 0.00 0.00 0.00 0.00 23.12 20.01 1ira s ALA 66 CO 0.35 0.26 -0.12 0.21 0.00 0.00 0.00 175.76 176.46 1ira s LYS 67 N -1.69 0.82 0.34 0.00 2.47 -1.26 0.15 119.74 120.57 1ira s LYS 67 Ca 0.43 -0.73 0.13 0.00 -1.56 0.00 0.00 55.97 54.24 1ira s LYS 67 Cb -0.20 -0.80 1.05 0.00 -1.46 0.00 0.00 37.83 36.43 1ira s LYS 67 CO 0.24 0.19 1.66 0.28 0.16 0.00 0.00 175.35 177.89 1ira h VAL 68 N 4.52 0.30 0.00 4.02 2.07 -1.91 0.23 116.25 125.49 1ira h VAL 68 Ca -0.37 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1ira h VAL 68 Cb 1.19 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1ira h VAL 68 CO 0.43 0.06 0.00 -0.62 0.02 0.00 0.00 177.57 177.46 1ira n GLU 69 N -5.06 0.34 0.00 1.57 4.71 -1.26 -2.01 120.64 118.93 1ira n GLU 69 Ca 0.31 0.00 0.11 0.00 -0.01 0.00 0.00 57.16 57.57 1ira n GLU 69 Cb 0.95 -1.38 0.13 0.00 -1.01 0.00 0.00 31.44 30.14 1ira n GLU 69 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1ira n ASP 70 N -0.88 0.80 -4.68 1.62 9.92 0.81 -4.93 116.55 119.21 1ira n ASP 70 Ca 0.06 -0.62 -0.43 0.00 -0.53 0.00 0.00 54.79 53.27 1ira n ASP 70 Cb 0.03 0.50 -0.03 0.00 -0.64 0.00 0.00 41.12 40.97 1ira n ASP 70 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1ira n SER 71 N -1.34 3.97 0.00 -2.24 7.64 -0.85 -4.83 113.62 115.97 1ira n SER 71 Ca 0.06 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.91 1ira n SER 71 Cb 0.34 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.02 1ira n SER 71 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ira n GLY 72 N 4.28 -0.73 3.91 0.23 0.00 0.51 -4.98 105.19 108.41 1ira n GLY 72 Ca 0.19 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 1ira n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ira s HIS 73 N -3.00 3.50 0.10 1.61 3.76 -1.26 -0.69 115.29 119.30 1ira s HIS 73 Ca 0.00 0.44 -0.03 0.00 -0.15 0.00 0.00 55.06 55.32 1ira s HIS 73 Cb 0.00 -1.91 -0.03 0.00 1.11 0.00 0.00 32.58 31.75 1ira s HIS 73 CO 0.00 0.50 0.07 0.71 -0.85 0.00 0.00 174.74 175.17 1ira s TYR 74 N -1.58 0.56 -0.01 1.40 1.51 -1.11 -2.93 117.35 115.18 1ira s TYR 74 Ca 0.38 -1.01 0.02 0.00 -1.01 0.00 0.00 57.07 55.45 1ira s TYR 74 Cb -0.13 -0.33 -0.01 0.00 -0.11 0.00 0.00 41.96 41.39 1ira s TYR 74 CO 0.25 -0.49 -0.07 0.71 -1.11 0.00 0.00 175.55 174.84 1ira s TYR 75 N -3.96 0.66 -0.11 2.71 1.51 -0.02 -1.36 117.35 116.79 1ira s TYR 75 Ca 0.13 -0.12 0.02 0.00 -1.01 0.00 0.00 57.07 56.09 1ira s TYR 75 Cb 0.07 -0.43 0.01 0.00 -0.11 0.00 0.00 41.96 41.51 1ira s TYR 75 CO -0.05 -0.01 -0.16 0.00 -1.11 0.00 0.00 175.55 174.21 1ira s VAL 77 N 0.88 3.71 -0.39 0.00 1.01 0.16 -1.43 120.40 124.34 1ira s VAL 77 Ca -0.09 -0.44 -0.06 0.00 0.00 0.00 0.00 61.98 61.39 1ira s VAL 77 Cb -0.15 -2.57 0.08 0.00 0.00 0.00 0.00 36.38 33.73 1ira s VAL 77 CO -0.00 0.54 0.19 -0.69 0.00 0.00 0.00 175.10 175.14 1ira s VAL 78 N -0.11 3.71 0.24 2.92 1.01 0.41 -1.25 120.40 127.32 1ira s VAL 78 Ca 0.01 -1.57 0.09 0.00 0.00 0.00 0.00 61.98 60.52 1ira s VAL 78 Cb -0.13 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 1ira s VAL 78 CO 0.03 -0.47 -0.05 0.00 0.00 0.00 0.00 175.10 174.61 1ira s ARG 79 N 1.31 2.18 0.21 2.72 1.70 -1.13 -0.76 118.95 125.19 1ira s ARG 79 Ca 0.03 -1.39 -0.20 0.00 -0.47 0.00 0.00 55.73 53.70 1ira s ARG 79 Cb -0.22 -2.14 0.04 0.00 -0.57 0.00 0.00 34.95 32.06 1ira s ARG 79 CO -0.00 0.39 0.61 1.21 -1.08 0.00 0.00 175.30 176.42 1ira s ASN 80 N -3.38 -0.35 0.58 -2.89 2.47 0.27 -2.75 114.94 108.90 1ira s ASN 80 Ca 0.29 -0.39 0.33 0.00 0.42 0.00 0.00 52.86 53.51 1ira s ASN 80 Cb -0.07 0.63 1.37 0.00 -1.45 0.00 0.00 41.25 41.73 1ira s ASN 80 CO 0.18 -1.12 1.66 -1.28 -3.72 0.00 0.00 177.10 172.81 1ira h SER 81 N 2.08 0.00 -0.37 -4.21 0.87 -2.00 -2.22 113.55 107.70 1ira h SER 81 Ca -0.27 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.05 1ira h SER 81 Cb 1.27 0.00 -0.32 0.00 -0.44 0.00 0.00 62.40 62.91 1ira h SER 81 CO 0.33 0.00 -0.88 -1.20 -0.53 0.00 0.00 176.83 174.55 1ira n SER 82 N -3.72 0.61 -3.61 6.23 7.64 -1.26 -5.10 113.62 114.41 1ira n SER 82 Ca 0.22 -2.18 -0.11 0.00 1.01 0.00 0.00 58.87 57.81 1ira n SER 82 Cb 1.24 -0.11 -0.06 0.00 -1.01 0.00 0.00 64.21 64.27 1ira n SER 82 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1ira s TYR 83 N -2.52 -0.49 -0.29 1.43 5.04 -0.83 -5.17 117.35 114.52 1ira s TYR 83 Ca 0.22 1.07 -0.15 0.00 -2.44 0.00 0.00 57.07 55.77 1ira s TYR 83 Cb 0.37 0.38 0.10 0.00 0.35 0.00 0.00 41.96 43.17 1ira s TYR 83 CO -0.05 -0.31 0.73 0.00 -1.34 0.00 0.00 175.55 174.57 1ira s LEU 85 N 1.93 1.89 -0.20 0.00 0.20 0.06 -0.54 118.68 122.02 1ira s LEU 85 Ca -0.09 -0.12 0.01 0.00 0.69 0.00 0.00 54.13 54.62 1ira s LEU 85 Cb -0.06 -0.35 0.04 0.00 -0.43 0.00 0.00 46.19 45.38 1ira s LEU 85 CO -0.19 0.06 -0.11 -0.60 -0.29 0.00 0.00 176.35 175.21 1ira s ARG 86 N 0.04 2.15 -0.18 1.98 3.52 -1.26 -0.45 118.95 124.74 1ira s ARG 86 Ca -0.00 -0.84 -0.09 0.00 -0.13 0.00 0.00 55.73 54.66 1ira s ARG 86 Cb -0.05 -2.42 -0.05 0.00 -1.56 0.00 0.00 34.95 30.87 1ira s ARG 86 CO -0.00 -0.40 0.13 0.42 -0.81 0.00 0.00 175.30 174.64 1ira s ILE 87 N 1.38 5.40 -0.48 4.11 1.09 -0.51 -0.31 121.20 131.87 1ira s ILE 87 Ca -0.01 0.18 -0.15 0.00 -1.10 0.00 0.00 60.65 59.58 1ira s ILE 87 Cb -0.16 -3.44 0.09 0.00 -1.06 0.00 0.00 42.46 37.89 1ira s ILE 87 CO -0.09 0.48 0.40 -0.75 -0.10 0.00 0.00 174.94 174.89 1ira s LYS 88 N 0.04 2.91 0.54 2.79 2.20 0.50 -2.15 119.74 126.57 1ira s LYS 88 Ca 0.09 -1.47 0.03 0.00 -0.36 0.00 0.00 55.97 54.27 1ira s LYS 88 Cb -0.11 -4.12 0.04 0.00 -1.51 0.00 0.00 37.83 32.13 1ira s LYS 88 CO -0.01 -1.10 0.75 0.96 -0.36 0.00 0.00 175.35 175.59 1ira s ILE 89 N 1.59 2.64 -0.07 5.43 -4.36 -0.46 -1.86 121.20 124.11 1ira s ILE 89 Ca 0.04 -0.77 -0.01 0.00 -0.26 0.00 0.00 60.65 59.64 1ira s ILE 89 Cb -0.26 -2.87 0.03 0.00 1.25 0.00 0.00 42.46 40.61 1ira s ILE 89 CO 0.05 0.00 0.01 -0.55 0.24 0.00 0.00 174.94 174.69 1ira s SER 90 N -4.47 1.61 -0.04 4.36 0.15 -1.26 -2.76 113.70 111.29 1ira s SER 90 Ca 0.58 -0.10 0.03 0.00 0.70 0.00 0.00 55.95 57.16 1ira s SER 90 Cb -0.09 -0.42 -0.03 0.00 -1.71 0.00 0.00 66.02 63.77 1ira s SER 90 CO 0.38 -0.21 -0.11 0.00 1.20 0.00 0.00 173.24 174.50 1ira s ALA 91 N 1.99 2.80 -0.03 5.45 0.00 0.13 -3.60 121.76 128.50 1ira s ALA 91 Ca 0.05 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.04 1ira s ALA 91 Cb -0.12 -1.04 0.02 0.00 0.00 0.00 0.00 23.12 21.97 1ira s ALA 91 CO -0.05 0.57 -0.04 0.21 0.00 0.00 0.00 175.76 176.45 1ira s LYS 92 N -0.92 0.63 -0.18 0.00 2.20 -1.15 -0.36 119.74 119.95 1ira s LYS 92 Ca 0.13 -0.08 0.01 0.00 -0.36 0.00 0.00 55.97 55.67 1ira s LYS 92 Cb -0.11 -0.67 0.02 0.00 -1.51 0.00 0.00 37.83 35.57 1ira s LYS 92 CO 0.02 -0.05 -0.19 -0.06 -0.36 0.00 0.00 175.35 174.72 1ira s PHE 93 N 0.72 2.71 0.52 4.03 0.08 -1.26 -0.81 117.98 123.97 1ira s PHE 93 Ca -0.09 -1.62 0.06 0.00 0.12 0.00 0.00 56.93 55.40 1ira s PHE 93 Cb -0.12 -1.87 0.03 0.00 -0.57 0.00 0.00 43.02 40.49 1ira s PHE 93 CO -0.00 -0.79 0.41 0.14 -0.10 0.00 0.00 175.22 174.88 1ira s VAL 94 N 1.31 1.85 0.12 -0.44 -7.23 0.12 -4.46 120.40 111.68 1ira s VAL 94 Ca 0.04 -1.45 0.08 0.00 -1.81 0.00 0.00 61.98 58.84 1ira s VAL 94 Cb -0.13 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 1ira s VAL 94 CO -0.12 0.00 -0.19 -1.61 -0.31 0.00 0.00 175.10 172.87 1ira s GLU 95 N -4.26 1.15 0.27 4.82 2.02 -1.26 0.30 118.70 121.74 1ira s GLU 95 Ca 0.38 -1.24 -0.30 0.00 0.02 0.00 0.00 54.97 53.83 1ira s GLU 95 Cb -0.02 -1.29 -0.13 0.00 0.10 0.00 0.00 34.13 32.79 1ira s GLU 95 CO 0.23 0.28 1.47 0.09 0.02 0.00 0.00 175.26 177.35 1ira n ASN 96 N 0.78 3.17 -4.65 -0.19 4.13 -1.26 -4.59 115.26 112.65 1ira n ASN 96 Ca -0.17 1.15 -0.30 0.00 1.68 0.00 0.00 54.58 56.94 1ira n ASN 96 Cb 0.55 -1.50 0.17 0.00 -1.54 0.00 0.00 39.78 37.47 1ira n ASN 96 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1ira s GLU 97 N -0.59 0.80 -0.37 3.52 2.02 -0.69 -4.83 118.70 118.56 1ira s GLU 97 Ca 0.65 1.23 -0.41 0.00 0.02 0.00 0.00 54.97 56.46 1ira s GLU 97 Cb -0.58 -1.73 -0.16 0.00 0.10 0.00 0.00 34.13 31.76 1ira s GLU 97 CO 0.50 -2.68 1.90 -2.30 0.02 0.00 0.00 175.26 172.71 1ira n PRO 98 N -4.23 0.77 -2.84 0.39 -0.02 -1.26 -1.26 135.00 126.54 1ira n PRO 98 Ca 0.09 0.26 -0.21 0.00 -2.02 0.00 0.00 63.50 61.62 1ira n PRO 98 Cb 0.53 -1.99 0.01 0.00 -0.02 0.00 0.00 33.50 32.03 1ira n PRO 98 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ira n ASN 99 N 6.60 -5.48 -4.06 2.55 3.02 -1.26 -4.98 115.26 111.65 1ira n ASN 99 Ca 0.36 -0.17 -0.20 0.00 -0.03 0.00 0.00 54.58 54.53 1ira n ASN 99 Cb 0.09 -4.50 -0.15 0.00 -0.61 0.00 0.00 39.78 34.62 1ira n ASN 99 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1ira s LEU 100 N -6.37 2.01 0.00 3.41 2.96 -0.39 -5.03 118.68 115.27 1ira s LEU 100 Ca 0.20 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 53.91 1ira s LEU 100 Cb -0.09 -0.58 0.00 0.00 0.50 0.00 0.00 46.19 46.02 1ira s LEU 100 CO 0.25 0.13 0.80 0.00 -1.32 0.00 0.00 176.35 176.22 1ira s TYR 102 N -1.80 0.06 -0.06 0.00 -0.85 -1.26 -4.97 117.35 108.46 1ira s TYR 102 Ca 0.00 -0.66 0.03 0.00 -0.52 0.00 0.00 57.07 55.91 1ira s TYR 102 Cb 0.00 0.80 0.01 0.00 0.38 0.00 0.00 41.96 43.15 1ira s TYR 102 CO 0.00 -1.42 -0.13 1.21 -1.52 0.00 0.00 175.55 173.68 1ira s ASN 103 N -3.08 1.89 0.38 -0.18 3.84 -1.26 -1.70 114.94 114.83 1ira s ASN 103 Ca 0.15 -0.32 0.16 0.00 0.21 0.00 0.00 52.86 53.06 1ira s ASN 103 Cb -0.05 -0.84 1.03 0.00 -0.55 0.00 0.00 41.25 40.84 1ira s ASN 103 CO 0.10 0.05 1.78 0.00 -2.79 0.00 0.00 177.10 176.24 1ira h ALA 104 N 6.87 2.11 0.00 1.71 0.00 -2.00 -1.35 119.26 126.59 1ira h ALA 104 Ca -0.30 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ira h ALA 104 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1ira h ALA 104 CO 0.47 -0.50 0.00 1.04 0.00 0.00 0.00 179.25 180.27 1ira n GLN 105 N -4.65 0.14 -0.15 0.00 6.02 -1.26 -1.60 117.38 115.89 1ira n GLN 105 Ca 0.24 0.57 0.10 0.00 -0.01 0.00 0.00 57.00 57.91 1ira n GLN 105 Cb 0.79 -1.90 0.18 0.00 1.02 0.00 0.00 30.24 30.33 1ira n GLN 105 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ira n ALA 106 N -1.76 2.40 -2.06 -1.58 0.00 -0.51 -4.77 120.51 112.23 1ira n ALA 106 Ca -0.00 -0.95 -0.42 0.00 0.00 0.00 0.00 53.44 52.07 1ira n ALA 106 Cb 0.08 -0.75 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 1ira n ALA 106 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ira s ILE 107 N -1.38 3.04 -0.17 0.00 1.01 -0.62 -4.40 121.20 118.67 1ira s ILE 107 Ca 0.33 0.72 -0.07 0.00 0.00 0.00 0.00 60.65 61.62 1ira s ILE 107 Cb 0.20 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 1ira s ILE 107 CO 0.27 0.05 0.07 -0.36 0.00 0.00 0.00 174.94 174.97 1ira s PHE 108 N 1.32 3.29 -0.14 3.97 0.40 -0.70 -4.94 117.98 121.19 1ira s PHE 108 Ca 0.67 0.15 -0.18 0.00 -0.60 0.00 0.00 56.93 56.97 1ira s PHE 108 Cb -0.39 -2.05 -0.04 0.00 0.51 0.00 0.00 43.02 41.04 1ira s PHE 108 CO 0.31 0.25 0.48 0.15 0.70 0.00 0.00 175.22 177.11 1ira s LYS 109 N 0.14 4.31 -0.03 0.44 1.02 -1.26 -0.74 119.74 123.62 1ira s LYS 109 Ca 0.05 0.44 0.02 0.00 0.02 0.00 0.00 55.97 56.50 1ira s LYS 109 Cb -0.12 -3.46 0.01 0.00 -0.52 0.00 0.00 37.83 33.73 1ira s LYS 109 CO 0.00 0.09 -0.07 -0.65 -0.92 0.00 0.00 175.35 173.80 1ira s GLN 110 N 0.85 0.82 0.14 1.68 -0.21 -0.50 -4.94 119.66 117.50 1ira s GLN 110 Ca 0.25 -0.23 0.05 0.00 0.02 0.00 0.00 55.36 55.45 1ira s GLN 110 Cb -0.15 -0.79 -0.04 0.00 1.00 0.00 0.00 33.01 33.03 1ira s GLN 110 CO 0.10 0.06 -0.12 -1.59 -2.12 0.00 0.00 175.29 171.63 1ira s LYS 111 N 0.31 1.03 -0.11 2.91 -2.85 -1.26 -1.01 119.74 118.78 1ira s LYS 111 Ca -0.04 -1.35 -0.17 0.00 -1.00 0.00 0.00 55.97 53.41 1ira s LYS 111 Cb -0.09 -0.74 0.04 0.00 -2.06 0.00 0.00 37.83 34.98 1ira s LYS 111 CO 0.00 0.12 0.43 -0.51 0.10 0.00 0.00 175.35 175.49 1ira s LEU 112 N -2.84 0.37 0.33 2.77 1.43 -0.92 -4.96 118.68 114.86 1ira s LEU 112 Ca 0.13 0.63 -0.27 0.00 -1.03 0.00 0.00 54.13 53.58 1ira s LEU 112 Cb -0.01 1.55 -0.09 0.00 0.03 0.00 0.00 46.19 47.67 1ira s LEU 112 CO 0.02 -0.29 1.06 -2.16 0.23 0.00 0.00 176.35 175.20 1ira s PRO 113 N -0.40 4.46 1.15 1.29 0.04 -1.26 -0.89 135.00 139.39 1ira s PRO 113 Ca -0.05 1.64 -0.19 0.00 0.04 0.00 0.00 61.00 62.43 1ira s PRO 113 Cb -0.03 -2.91 0.29 0.00 0.04 0.00 0.00 34.50 31.88 1ira s PRO 113 CO 0.03 0.09 0.92 1.33 0.04 0.00 0.00 177.00 179.41 1ira n VAL 114 N 0.66 0.00 0.00 -0.36 0.24 -0.27 -4.24 118.33 114.37 1ira n VAL 114 Ca 0.01 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 1ira n VAL 114 Cb 0.47 -1.12 0.00 0.00 -1.47 0.00 0.00 33.84 31.72 1ira n VAL 114 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ira n ALA 115 N -4.89 0.00 -2.81 2.33 0.00 -0.02 -4.83 120.51 110.29 1ira n ALA 115 Ca -0.18 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.10 1ira n ALA 115 Cb 0.52 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.03 1ira n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ira n GLY 116 N 0.00 1.45 3.83 0.00 0.00 -1.26 -4.38 105.19 104.83 1ira n GLY 116 Ca 0.00 -2.12 -0.38 0.00 0.00 0.00 0.00 46.02 43.52 1ira n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ira s ASP 117 N -3.49 6.77 0.17 1.61 1.11 -1.26 -0.53 116.67 121.03 1ira s ASP 117 Ca 0.42 0.91 0.01 0.00 0.18 0.00 0.00 52.55 54.07 1ira s ASP 117 Cb -0.03 -2.24 -0.01 0.00 1.07 0.00 0.00 42.92 41.72 1ira s ASP 117 CO 0.27 0.32 0.19 0.61 1.18 0.00 0.00 175.17 177.74 1ira n GLY 118 N 1.90 3.07 3.12 0.21 0.00 -0.67 -4.97 105.19 107.85 1ira n GLY 118 Ca -0.14 -1.63 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 1ira n GLY 118 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ira s GLY 119 N -2.09 -0.07 -0.02 -0.02 0.00 -1.26 -0.35 107.32 103.50 1ira s GLY 119 Ca 0.17 0.25 0.01 0.00 0.00 0.00 0.00 44.72 45.15 1ira s GLY 119 CO 0.12 0.13 0.00 1.08 0.00 0.00 0.00 173.10 174.43 1ira s LEU 120 N -0.72 3.54 -0.13 0.66 1.02 -0.69 -4.93 118.68 117.43 1ira s LEU 120 Ca -0.08 0.04 0.01 0.00 0.02 0.00 0.00 54.13 54.12 1ira s LEU 120 Cb -0.05 -1.97 -0.01 0.00 0.02 0.00 0.00 46.19 44.18 1ira s LEU 120 CO 0.01 0.31 -0.16 -0.69 0.02 0.00 0.00 176.35 175.84 1ira s VAL 121 N -1.03 2.78 -0.45 -1.59 1.01 -1.26 -0.65 120.40 119.21 1ira s VAL 121 Ca 0.18 -0.76 -0.28 0.00 0.00 0.00 0.00 61.98 61.12 1ira s VAL 121 Cb -0.11 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.13 1ira s VAL 121 CO 0.08 0.53 1.46 0.00 0.00 0.00 0.00 175.10 177.17 1ira n PRO 123 N 8.29 1.33 -3.19 0.00 -0.02 -1.26 -4.02 135.00 136.13 1ira n PRO 123 Ca 0.16 0.51 -0.20 0.00 -2.02 0.00 0.00 63.50 61.95 1ira n PRO 123 Cb 0.48 -2.53 -0.01 0.00 -0.02 0.00 0.00 33.50 31.42 1ira n PRO 123 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1ira n TYR 124 N -1.56 -1.71 0.83 6.00 4.01 -1.26 -4.84 117.16 118.63 1ira n TYR 124 Ca 0.14 0.34 0.13 0.00 -0.16 0.00 0.00 57.90 58.35 1ira n TYR 124 Cb 0.47 -2.55 0.32 0.00 -0.31 0.00 0.00 39.34 37.27 1ira n TYR 124 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 1ira n MET 125 N -3.43 0.11 -0.25 -0.72 2.81 -1.26 -4.07 117.12 110.31 1ira n MET 125 Ca -0.02 0.05 0.22 0.00 -1.81 0.00 0.00 57.70 56.14 1ira n MET 125 Cb 0.54 -1.59 0.56 0.00 -0.71 0.00 0.00 33.22 32.02 1ira n MET 125 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 1ira h GLU 126 N 0.00 0.30 0.00 0.03 4.11 -1.90 -0.96 114.58 116.16 1ira h GLU 126 Ca 0.00 -0.02 -0.05 0.00 0.07 0.00 0.00 59.36 59.36 1ira h GLU 126 Cb 0.60 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1ira h GLU 126 CO 0.00 0.20 -0.23 0.74 0.07 0.00 0.00 179.01 179.79 1ira h PHE 127 N 0.31 0.00 -0.85 2.06 0.04 -2.00 -3.26 116.94 113.24 1ira h PHE 127 Ca 0.49 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.71 1ira h PHE 127 Cb 1.39 0.00 -0.25 0.00 2.20 0.00 0.00 35.95 39.29 1ira h PHE 127 CO -0.00 0.23 0.71 1.19 -0.60 0.00 0.00 178.31 179.84 1ira n PHE 128 N -3.65 2.72 -3.14 -0.55 3.72 -0.37 -4.96 117.46 111.23 1ira n PHE 128 Ca -0.01 -2.52 -0.39 0.00 -0.05 0.00 0.00 57.45 54.48 1ira n PHE 128 Cb 0.36 -1.22 -0.05 0.00 -0.94 0.00 0.00 39.48 37.62 1ira n PHE 128 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1ira s LYS 129 N -3.16 4.39 0.88 -1.08 1.02 -1.23 -4.17 119.74 116.39 1ira s LYS 129 Ca 0.54 0.76 -0.11 0.00 0.02 0.00 0.00 55.97 57.18 1ira s LYS 129 Cb 0.43 -3.41 0.12 0.00 -0.52 0.00 0.00 37.83 34.45 1ira s LYS 129 CO 0.01 0.19 1.11 1.21 -0.92 0.00 0.00 175.35 176.95 1ira s ASN 130 N 0.42 3.38 0.64 2.83 2.47 -0.49 -4.79 114.94 119.39 1ira s ASN 130 Ca 0.33 1.88 0.25 0.00 0.42 0.00 0.00 52.86 55.75 1ira s ASN 130 Cb -0.17 -2.46 1.30 0.00 -1.45 0.00 0.00 41.25 38.46 1ira s ASN 130 CO 0.17 -2.76 1.73 1.05 -3.72 0.00 0.00 177.10 173.57 1ira h GLU 131 N -1.63 0.00 -0.33 0.43 4.11 -1.97 0.57 114.58 115.76 1ira h GLU 131 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1ira h GLU 131 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1ira h GLU 131 CO 0.48 0.00 0.00 0.27 0.07 0.00 0.00 179.01 179.83 1ira n ASN 132 N -3.11 1.86 -2.90 3.06 6.94 -1.26 -4.93 115.26 114.91 1ira n ASN 132 Ca 0.03 -1.96 -0.14 0.00 -0.02 0.00 0.00 54.58 52.49 1ira n ASN 132 Cb 0.65 -0.22 0.07 0.00 -2.36 0.00 0.00 39.78 37.92 1ira n ASN 132 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1ira n ASN 133 N 0.50 -2.28 -4.13 0.53 3.02 0.20 -5.05 115.26 108.05 1ira n ASN 133 Ca 0.12 -0.48 -0.24 0.00 -0.03 0.00 0.00 54.58 53.95 1ira n ASN 133 Cb 0.30 -4.11 -0.15 0.00 -0.61 0.00 0.00 39.78 35.21 1ira n ASN 133 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ira s GLU 134 N -5.13 1.42 0.32 3.52 2.02 -1.24 -4.92 118.70 114.69 1ira s GLU 134 Ca 0.03 -0.57 -0.23 0.00 0.02 0.00 0.00 54.97 54.23 1ira s GLU 134 Cb -0.01 -1.32 -0.10 0.00 0.10 0.00 0.00 34.13 32.80 1ira s GLU 134 CO 0.57 0.30 0.88 -0.51 0.02 0.00 0.00 175.26 176.53 1ira s LEU 135 N -0.23 4.24 0.63 1.80 1.02 -1.26 -1.40 118.68 123.48 1ira s LEU 135 Ca 0.03 1.68 -0.18 0.00 0.02 0.00 0.00 54.13 55.68 1ira s LEU 135 Cb -0.08 -4.04 -0.02 0.00 0.02 0.00 0.00 46.19 42.08 1ira s LEU 135 CO 0.00 -0.12 1.25 -2.16 0.02 0.00 0.00 176.35 175.34 1ira s PRO 136 N -2.34 2.69 -0.15 1.29 0.04 -1.26 -4.89 135.00 130.38 1ira s PRO 136 Ca 0.51 1.93 -0.29 0.00 0.04 0.00 0.00 61.00 63.20 1ira s PRO 136 Cb -0.16 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.45 1ira s PRO 136 CO 0.20 -1.45 2.05 0.21 0.04 0.00 0.00 177.00 178.05 1ira s LYS 137 N -3.42 3.50 0.10 4.56 2.20 -1.26 -4.97 119.74 120.46 1ira s LYS 137 Ca 0.80 2.11 -0.13 0.00 -0.36 0.00 0.00 55.97 58.39 1ira s LYS 137 Cb -0.34 -4.27 -0.06 0.00 -1.51 0.00 0.00 37.83 31.66 1ira s LYS 137 CO 0.37 -1.68 0.49 -0.51 -0.36 0.00 0.00 175.35 173.67 1ira s LEU 138 N 6.79 4.38 -0.16 5.43 1.43 -1.26 -4.64 118.68 130.65 1ira s LEU 138 Ca 0.93 0.99 0.02 0.00 -1.03 0.00 0.00 54.13 55.04 1ira s LEU 138 Cb -0.34 -3.06 0.01 0.00 0.03 0.00 0.00 46.19 42.83 1ira s LEU 138 CO 0.36 0.17 -0.21 0.00 0.23 0.00 0.00 176.35 176.90 1ira s GLN 139 N -1.75 2.96 0.21 1.70 -2.07 -0.56 -4.93 119.66 115.21 1ira s GLN 139 Ca 0.34 -0.83 -0.06 0.00 -1.82 0.00 0.00 55.36 53.00 1ira s GLN 139 Cb -0.15 -2.47 -0.06 0.00 -1.09 0.00 0.00 33.01 29.24 1ira s GLN 139 CO 0.18 -0.11 0.47 -1.58 -1.32 0.00 0.00 175.29 172.93 1ira s TRP 140 N 1.05 3.46 0.05 9.60 0.52 -1.26 -1.16 118.94 131.20 1ira s TRP 140 Ca -0.01 0.64 -0.00 0.00 0.02 0.00 0.00 56.10 56.74 1ira s TRP 140 Cb -0.14 -2.08 -0.03 0.00 -1.15 0.00 0.00 33.47 30.07 1ira s TRP 140 CO -0.07 0.32 -0.04 0.71 0.02 0.00 0.00 176.95 177.89 1ira s TYR 141 N -1.83 0.50 -0.18 -1.98 1.51 -0.69 -2.59 117.35 112.09 1ira s TYR 141 Ca 0.43 -0.83 -0.00 0.00 -1.01 0.00 0.00 57.07 55.66 1ira s TYR 141 Cb -0.11 -0.34 0.04 0.00 -0.11 0.00 0.00 41.96 41.43 1ira s TYR 141 CO 0.26 -0.26 -0.06 0.21 -1.11 0.00 0.00 175.55 174.58 1ira s LYS 142 N -2.93 1.51 -1.37 -0.62 2.20 0.00 -1.52 119.74 117.01 1ira s LYS 142 Ca -0.01 -0.59 -0.08 0.00 -0.36 0.00 0.00 55.97 54.92 1ira s LYS 142 Cb 0.00 -2.11 0.02 0.00 -1.51 0.00 0.00 37.83 34.24 1ira s LYS 142 CO -0.06 -0.45 1.10 -0.25 -0.36 0.00 0.00 175.35 175.33 1ira n ASP 143 N 4.84 -5.18 0.00 1.43 8.00 0.75 -2.11 116.55 124.27 1ira n ASP 143 Ca -0.12 -0.61 0.00 0.00 0.71 0.00 0.00 54.79 54.76 1ira n ASP 143 Cb 0.47 -4.77 0.00 0.00 -0.02 0.00 0.00 41.12 36.80 1ira n ASP 143 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ira s LYS 145 N -0.59 2.65 0.50 0.00 1.02 -0.90 -5.01 119.74 117.42 1ira s LYS 145 Ca 0.00 -0.61 -0.21 0.00 0.02 0.00 0.00 55.97 55.17 1ira s LYS 145 Cb 0.00 -2.52 -0.09 0.00 -0.52 0.00 0.00 37.83 34.70 1ira s LYS 145 CO 0.00 0.65 0.81 -0.35 -0.92 0.00 0.00 175.35 175.53 1ira n PRO 146 N 2.19 0.91 -4.69 -1.68 -0.04 -1.26 -0.82 135.00 129.61 1ira n PRO 146 Ca -0.17 0.34 -0.33 0.00 -0.04 0.00 0.00 63.50 63.29 1ira n PRO 146 Cb 0.53 -1.91 -0.15 0.00 -0.04 0.00 0.00 33.50 31.93 1ira n PRO 146 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1ira s LEU 147 N -0.24 2.54 -0.55 1.53 2.96 -1.07 -4.67 118.68 119.18 1ira s LEU 147 Ca 0.68 -0.42 -0.27 0.00 -0.22 0.00 0.00 54.13 53.90 1ira s LEU 147 Cb -0.50 -1.57 0.03 0.00 0.50 0.00 0.00 46.19 44.65 1ira s LEU 147 CO 0.54 0.12 1.09 -0.22 -1.32 0.00 0.00 176.35 176.56 1ira s LEU 148 N 0.59 3.72 -1.24 -0.68 2.96 -1.26 -4.80 118.68 117.97 1ira s LEU 148 Ca -0.09 -0.02 -0.12 0.00 -0.22 0.00 0.00 54.13 53.69 1ira s LEU 148 Cb -0.16 -3.09 0.17 0.00 0.50 0.00 0.00 46.19 43.62 1ira s LEU 148 CO 0.03 -1.35 1.64 0.18 -1.32 0.00 0.00 176.35 175.53 1ira n LEU 149 N 7.98 5.88 -0.19 -0.68 4.77 -1.26 -4.49 117.00 129.01 1ira n LEU 149 Ca 0.06 -4.55 0.06 0.00 -0.03 0.00 0.00 56.01 51.55 1ira n LEU 149 Cb 0.48 -1.55 0.29 0.00 -2.33 0.00 0.00 43.42 40.31 1ira n LEU 149 CO 0.68 1.03 0.69 -0.90 -1.33 0.00 0.00 177.39 177.57 1ira n ASP 150 N 4.79 0.56 -0.77 -1.43 5.68 -1.13 -4.83 116.55 119.42 1ira n ASP 150 Ca 0.38 -1.74 -0.10 0.00 -0.50 0.00 0.00 54.79 52.83 1ira n ASP 150 Cb 0.40 -0.05 -0.04 0.00 -1.14 0.00 0.00 41.12 40.28 1ira n ASP 150 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1ira n ASN 151 N -0.31 -5.30 0.00 -1.12 5.03 0.01 -4.72 115.26 108.85 1ira n ASN 151 Ca 0.09 0.25 0.00 0.00 0.87 0.00 0.00 54.58 55.79 1ira n ASN 151 Cb 0.12 -3.68 0.00 0.00 -1.02 0.00 0.00 39.78 35.20 1ira n ASN 151 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1ira n ILE 152 N -2.35 0.00 -0.05 2.41 5.41 -1.26 -4.86 119.36 118.66 1ira n ILE 152 Ca -0.10 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.59 1ira n ILE 152 Cb 0.51 -0.70 -0.07 0.00 -0.71 0.00 0.00 39.64 38.66 1ira n ILE 152 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1ira n HIS 153 N -2.52 0.00 -3.83 1.39 8.25 -1.26 -4.75 115.22 112.51 1ira n HIS 153 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 1ira n HIS 153 Cb 0.42 -0.48 -0.13 0.00 1.12 0.00 0.00 29.99 30.92 1ira n HIS 153 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1ira s PHE 154 N -2.24 -0.15 -0.06 4.41 0.08 -1.26 -2.24 117.98 116.52 1ira s PHE 154 Ca -0.07 0.36 -0.00 0.00 0.12 0.00 0.00 56.93 57.33 1ira s PHE 154 Cb 0.03 0.05 0.03 0.00 -0.57 0.00 0.00 43.02 42.56 1ira s PHE 154 CO 0.38 -0.08 -0.01 -1.12 -0.10 0.00 0.00 175.22 174.28 1ira s SER 155 N 0.02 1.25 -0.45 1.36 0.01 -0.42 -0.81 113.70 114.66 1ira s SER 155 Ca -0.01 -0.09 -0.19 0.00 1.31 0.00 0.00 55.95 56.97 1ira s SER 155 Cb -0.01 -0.42 0.03 0.00 0.21 0.00 0.00 66.02 65.82 1ira s SER 155 CO 0.00 -0.14 0.57 -0.83 0.41 0.00 0.00 173.24 173.25 1ira s GLY 156 N 1.51 1.79 -0.18 3.44 0.00 -1.26 -0.33 107.32 112.29 1ira s GLY 156 Ca -0.02 -1.43 0.01 0.00 0.00 0.00 0.00 44.72 43.28 1ira s GLY 156 CO -0.03 1.39 -0.17 0.14 0.00 0.00 0.00 173.10 174.43 1ira s VAL 157 N 2.55 1.91 0.00 1.40 1.01 -0.48 -5.01 120.40 121.78 1ira s VAL 157 Ca 0.17 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1ira s VAL 157 Cb -0.16 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.43 1ira s VAL 157 CO 0.16 0.44 0.00 0.29 0.00 0.00 0.00 175.10 175.98 1ira n LYS 158 N 4.65 0.00 -0.77 2.72 5.02 -1.26 -0.89 118.16 127.64 1ira n LYS 158 Ca -0.19 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.16 1ira n LYS 158 Cb 0.49 0.00 0.35 0.00 -0.02 0.00 0.00 35.03 35.85 1ira n LYS 158 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1ira n ASP 159 N 7.04 5.03 -4.16 4.39 5.75 -1.26 -4.68 116.55 128.66 1ira n ASP 159 Ca 0.00 -3.01 -0.15 0.00 -0.01 0.00 0.00 54.79 51.62 1ira n ASP 159 Cb 0.00 -0.65 -0.11 0.00 -1.03 0.00 0.00 41.12 39.33 1ira n ASP 159 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ira s ARG 160 N -2.83 0.79 -0.38 0.11 1.70 -0.07 -0.48 118.95 117.80 1ira s ARG 160 Ca 0.51 -1.04 -0.06 0.00 -0.47 0.00 0.00 55.73 54.66 1ira s ARG 160 Cb 0.40 -0.57 0.07 0.00 -0.57 0.00 0.00 34.95 34.28 1ira s ARG 160 CO 0.13 0.10 0.17 -1.17 -1.08 0.00 0.00 175.30 173.45 1ira s LEU 161 N -2.13 4.75 -0.19 -1.89 2.96 0.18 -1.38 118.68 120.98 1ira s LEU 161 Ca 0.01 -1.45 -0.29 0.00 -0.22 0.00 0.00 54.13 52.18 1ira s LEU 161 Cb -0.06 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.75 1ira s LEU 161 CO 0.01 -0.44 1.04 -0.63 -1.32 0.00 0.00 176.35 175.01 1ira s ILE 162 N 1.35 4.69 -0.23 6.68 -1.09 0.55 -1.71 121.20 131.44 1ira s ILE 162 Ca 0.01 2.02 -0.06 0.00 -2.23 0.00 0.00 60.65 60.39 1ira s ILE 162 Cb -0.21 -4.30 -0.03 0.00 -1.58 0.00 0.00 42.46 36.34 1ira s ILE 162 CO 0.01 -0.13 0.04 -0.69 -1.23 0.00 0.00 174.94 172.95 1ira s VAL 163 N 2.87 4.14 -0.06 2.92 1.01 0.53 -1.30 120.40 130.51 1ira s VAL 163 Ca 0.46 -0.23 -0.26 0.00 0.00 0.00 0.00 61.98 61.94 1ira s VAL 163 Cb -0.16 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 1ira s VAL 163 CO 0.10 0.37 0.81 -0.04 0.00 0.00 0.00 175.10 176.34 1ira s MET 164 N 1.44 4.46 -0.47 2.72 -1.94 -0.95 -1.68 119.30 122.87 1ira s MET 164 Ca 0.05 1.08 -0.22 0.00 -1.71 0.00 0.00 55.69 54.89 1ira s MET 164 Cb -0.15 -3.47 0.03 0.00 2.01 0.00 0.00 34.83 33.25 1ira s MET 164 CO 0.02 -0.03 0.63 0.09 -0.01 0.00 0.00 175.02 175.72 1ira n ASN 165 N 4.04 -7.01 -4.75 3.03 3.02 -1.20 -4.88 115.26 107.50 1ira n ASN 165 Ca 0.02 0.20 -0.41 0.00 -0.03 0.00 0.00 54.58 54.36 1ira n ASN 165 Cb 0.51 -4.00 -0.02 0.00 -0.61 0.00 0.00 39.78 35.66 1ira n ASN 165 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ira s VAL 166 N -2.27 2.11 0.20 2.41 1.01 0.31 -4.82 120.40 119.34 1ira s VAL 166 Ca 0.27 0.09 -0.10 0.00 0.00 0.00 0.00 61.98 62.24 1ira s VAL 166 Cb -0.05 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 1ira s VAL 166 CO 0.81 0.02 0.34 0.00 0.00 0.00 0.00 175.10 176.27 1ira s ALA 167 N -0.08 0.01 0.38 5.51 0.00 -1.26 -0.84 121.76 125.48 1ira s ALA 167 Ca 0.62 -0.94 0.10 0.00 0.00 0.00 0.00 51.96 51.74 1ira s ALA 167 Cb -0.47 0.99 0.88 0.00 0.00 0.00 0.00 23.12 24.52 1ira s ALA 167 CO 0.49 -0.72 1.90 1.49 0.00 0.00 0.00 175.76 178.92 1ira h GLU 168 N 2.44 0.60 0.00 0.00 4.81 -1.96 -1.55 114.58 118.91 1ira h GLU 168 Ca -0.30 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1ira h GLU 168 Cb 1.24 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1ira h GLU 168 CO 0.44 0.40 0.00 0.36 -0.73 0.00 0.00 179.01 179.48 1ira n LYS 169 N -4.52 0.05 0.00 1.92 2.85 -1.26 -1.58 118.16 115.62 1ira n LYS 169 Ca 0.15 0.24 0.12 0.00 -1.05 0.00 0.00 58.31 57.78 1ira n LYS 169 Cb 0.45 -1.50 0.21 0.00 -0.65 0.00 0.00 35.03 33.54 1ira n LYS 169 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1ira n HIS 170 N -1.27 0.00 -2.09 5.58 8.25 -0.58 -4.94 115.22 120.17 1ira n HIS 170 Ca 0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.07 1ira n HIS 170 Cb 0.03 -0.07 -0.02 0.00 1.12 0.00 0.00 29.99 31.04 1ira n HIS 170 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1ira s ARG 171 N -2.52 4.32 0.00 -0.41 0.52 -0.61 -4.90 118.95 115.36 1ira s ARG 171 Ca 0.21 2.24 0.00 0.00 -0.52 0.00 0.00 55.73 57.66 1ira s ARG 171 Cb 0.19 -3.09 0.00 0.00 0.52 0.00 0.00 34.95 32.56 1ira s ARG 171 CO 0.55 -0.28 0.00 0.41 0.02 0.00 0.00 175.30 176.01 1ira n GLY 172 N 1.38 0.55 3.47 -3.53 0.00 -1.21 -5.02 105.19 100.83 1ira n GLY 172 Ca 0.03 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.41 1ira n GLY 172 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ira s ASN 173 N 0.00 6.17 0.23 1.61 0.01 -1.26 -1.53 114.94 120.18 1ira s ASN 173 Ca 0.00 -0.77 -0.08 0.00 -0.71 0.00 0.00 52.86 51.30 1ira s ASN 173 Cb 0.00 -2.21 -0.06 0.00 0.41 0.00 0.00 41.25 39.39 1ira s ASN 173 CO 0.00 -0.56 0.52 -0.31 -1.51 0.00 0.00 177.10 175.25 1ira s TYR 174 N 2.01 3.45 -0.07 2.20 1.51 0.81 -0.18 117.35 127.07 1ira s TYR 174 Ca 0.10 0.76 0.00 0.00 -1.01 0.00 0.00 57.07 56.92 1ira s TYR 174 Cb -0.18 -2.18 0.02 0.00 -0.11 0.00 0.00 41.96 39.52 1ira s TYR 174 CO 0.12 0.27 -0.05 0.95 -1.11 0.00 0.00 175.55 175.73 1ira s THR 175 N -1.87 0.72 -0.19 -0.71 -4.23 -0.58 -0.07 115.64 108.71 1ira s THR 175 Ca 0.45 -0.16 -0.11 0.00 -1.18 0.00 0.00 61.69 60.69 1ira s THR 175 Cb -0.11 -0.76 -0.05 0.00 1.34 0.00 0.00 72.50 72.92 1ira s THR 175 CO 0.24 0.29 0.17 0.00 -0.54 0.00 0.00 174.62 174.79 1ira s HIS 177 N 0.43 2.63 0.20 0.00 3.76 -0.31 -2.42 115.29 119.58 1ira s HIS 177 Ca 0.10 -0.21 -0.14 0.00 -0.15 0.00 0.00 55.06 54.66 1ira s HIS 177 Cb -0.12 -1.43 0.01 0.00 1.11 0.00 0.00 32.58 32.16 1ira s HIS 177 CO -0.00 0.35 0.45 0.00 -0.85 0.00 0.00 174.74 174.69 1ira s ALA 178 N -1.08 -0.53 -0.12 -1.40 0.00 -0.07 -1.50 121.76 117.05 1ira s ALA 178 Ca 0.18 -0.55 -0.01 0.00 0.00 0.00 0.00 51.96 51.58 1ira s ALA 178 Cb -0.11 0.89 0.04 0.00 0.00 0.00 0.00 23.12 23.94 1ira s ALA 178 CO 0.09 -0.77 -0.01 -1.12 0.00 0.00 0.00 175.76 173.95 1ira s SER 179 N -2.93 2.16 -0.15 0.00 0.01 -1.26 -0.53 113.70 111.00 1ira s SER 179 Ca 0.14 -0.37 -0.05 0.00 1.31 0.00 0.00 55.95 56.97 1ira s SER 179 Cb 0.00 -0.60 -0.04 0.00 0.21 0.00 0.00 66.02 65.60 1ira s SER 179 CO 0.01 -0.21 0.03 -0.47 0.41 0.00 0.00 173.24 173.01 1ira s TYR 180 N 1.86 3.21 -0.52 2.43 5.04 0.25 -4.92 117.35 124.71 1ira s TYR 180 Ca 0.03 0.05 -0.20 0.00 -2.44 0.00 0.00 57.07 54.52 1ira s TYR 180 Cb -0.14 -1.98 0.06 0.00 0.35 0.00 0.00 41.96 40.25 1ira s TYR 180 CO -0.07 0.22 0.68 0.99 -1.34 0.00 0.00 175.55 176.04 1ira s THR 181 N 0.01 4.79 -0.27 4.34 2.01 -1.26 -0.63 115.64 124.63 1ira s THR 181 Ca 0.04 -0.40 -0.04 0.00 0.31 0.00 0.00 61.69 61.60 1ira s THR 181 Cb -0.12 -4.35 0.01 0.00 0.01 0.00 0.00 72.50 68.05 1ira s THR 181 CO 0.01 -0.87 0.01 -0.47 -0.69 0.00 0.00 174.62 172.62 1ira s TYR 182 N 2.84 3.10 -1.26 4.92 5.04 0.42 -4.70 117.35 127.71 1ira s TYR 182 Ca 0.17 -1.20 -0.06 0.00 -2.44 0.00 0.00 57.07 53.54 1ira s TYR 182 Cb -0.18 -2.16 -0.01 0.00 0.35 0.00 0.00 41.96 39.96 1ira s TYR 182 CO 0.13 -0.63 0.68 1.28 -1.34 0.00 0.00 175.55 175.67 1ira n LEU 183 N 4.78 -3.06 0.00 6.97 4.77 -1.26 -2.34 117.00 126.86 1ira n LEU 183 Ca -0.16 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 54.92 1ira n LEU 183 Cb 0.48 -2.55 0.00 0.00 -2.33 0.00 0.00 43.42 39.02 1ira n LEU 183 CO 0.29 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 1ira n GLY 184 N -1.66 1.93 3.72 -0.72 0.00 -1.26 -4.98 105.19 102.22 1ira n GLY 184 Ca -0.23 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 1ira n GLY 184 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ira s LYS 185 N 0.00 1.40 -0.08 1.61 -2.85 -0.99 -5.01 119.74 113.82 1ira s LYS 185 Ca 0.00 0.89 0.02 0.00 -1.00 0.00 0.00 55.97 55.89 1ira s LYS 185 Cb 0.00 -1.82 0.01 0.00 -2.06 0.00 0.00 37.83 33.96 1ira s LYS 185 CO 0.00 -2.16 -0.15 -1.14 0.10 0.00 0.00 175.35 171.99 1ira s GLN 186 N -4.92 2.10 0.09 1.78 0.74 -1.26 -0.44 119.66 117.75 1ira s GLN 186 Ca 0.63 -0.54 0.09 0.00 0.05 0.00 0.00 55.36 55.58 1ira s GLN 186 Cb -0.18 -1.70 -0.03 0.00 1.10 0.00 0.00 33.01 32.19 1ira s GLN 186 CO 0.57 0.04 -0.23 0.71 -0.55 0.00 0.00 175.29 175.83 1ira s TYR 187 N 0.68 1.95 0.48 1.67 1.51 0.20 -4.96 117.35 118.86 1ira s TYR 187 Ca -0.14 -0.40 -0.10 0.00 -1.01 0.00 0.00 57.07 55.42 1ira s TYR 187 Cb -0.16 -1.10 -0.06 0.00 -0.11 0.00 0.00 41.96 40.54 1ira s TYR 187 CO 0.04 0.20 0.85 -1.25 -1.11 0.00 0.00 175.55 174.28 1ira s PRO 188 N -1.69 3.72 -0.01 -1.71 0.04 -1.26 -0.58 135.00 133.51 1ira s PRO 188 Ca 0.09 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.66 1ira s PRO 188 Cb -0.10 -2.29 0.01 0.00 0.04 0.00 0.00 34.50 32.16 1ira s PRO 188 CO 0.04 -0.20 0.01 0.42 0.04 0.00 0.00 177.00 177.30 1ira s ILE 189 N -2.63 0.02 -0.04 0.56 1.01 0.31 -3.11 121.20 117.32 1ira s ILE 189 Ca 0.52 0.07 -0.10 0.00 0.00 0.00 0.00 60.65 61.15 1ira s ILE 189 Cb -0.10 -0.09 0.02 0.00 0.01 0.00 0.00 42.46 42.30 1ira s ILE 189 CO 0.38 0.06 0.22 0.42 0.00 0.00 0.00 174.94 176.02 1ira s THR 190 N 0.49 0.05 -0.03 2.92 -4.23 -1.26 -0.89 115.64 112.70 1ira s THR 190 Ca -0.04 -0.38 0.01 0.00 -1.18 0.00 0.00 61.69 60.10 1ira s THR 190 Cb -0.06 -0.44 0.02 0.00 1.34 0.00 0.00 72.50 73.35 1ira s THR 190 CO -0.01 -0.21 -0.03 -0.13 -0.54 0.00 0.00 174.62 173.70 1ira s ARG 191 N -0.80 0.52 -0.21 3.99 1.81 -1.02 -4.84 118.95 118.40 1ira s ARG 191 Ca -0.09 -0.06 -0.10 0.00 -1.72 0.00 0.00 55.73 53.76 1ira s ARG 191 Cb -0.05 -0.58 -0.05 0.00 -0.45 0.00 0.00 34.95 33.83 1ira s ARG 191 CO 0.02 -0.04 0.13 0.54 -0.68 0.00 0.00 175.30 175.26 1ira s VAL 192 N 0.64 5.30 -0.13 3.52 0.11 -1.26 -2.01 120.40 126.56 1ira s VAL 192 Ca -0.07 0.15 0.02 0.00 -2.93 0.00 0.00 61.98 59.15 1ira s VAL 192 Cb -0.11 -3.43 0.01 0.00 -1.53 0.00 0.00 36.38 31.33 1ira s VAL 192 CO -0.01 0.42 -0.19 -0.63 -3.33 0.00 0.00 175.10 171.36 1ira s ILE 193 N 0.55 1.82 -0.38 7.04 1.01 0.89 -1.72 121.20 130.41 1ira s ILE 193 Ca 0.07 -0.83 -0.18 0.00 0.00 0.00 0.00 60.65 59.71 1ira s ILE 193 Cb -0.12 -1.63 0.00 0.00 0.01 0.00 0.00 42.46 40.73 1ira s ILE 193 CO -0.00 0.50 0.52 -0.70 0.00 0.00 0.00 174.94 175.26 1ira s GLU 194 N 0.94 3.48 -0.21 2.79 2.12 0.08 -0.13 118.70 127.77 1ira s GLU 194 Ca -0.06 -0.30 -0.21 0.00 0.36 0.00 0.00 54.97 54.76 1ira s GLU 194 Cb -0.15 -3.86 -0.02 0.00 0.26 0.00 0.00 34.13 30.36 1ira s GLU 194 CO -0.03 -0.73 0.66 0.12 -0.54 0.00 0.00 175.26 174.74 1ira s PHE 195 N 2.41 3.35 -0.09 5.30 5.36 -0.58 -1.41 117.98 132.32 1ira s PHE 195 Ca 0.18 0.94 0.04 0.00 -0.96 0.00 0.00 56.93 57.13 1ira s PHE 195 Cb -0.15 -2.85 -0.01 0.00 -0.34 0.00 0.00 43.02 39.67 1ira s PHE 195 CO 0.14 -0.24 -0.22 0.42 -1.46 0.00 0.00 175.22 173.86 1ira s ILE 196 N 2.15 2.25 -0.17 3.12 1.01 -0.18 -3.33 121.20 126.05 1ira s ILE 196 Ca 0.29 -0.97 -0.14 0.00 0.00 0.00 0.00 60.65 59.83 1ira s ILE 196 Cb -0.16 -1.86 -0.05 0.00 0.01 0.00 0.00 42.46 40.41 1ira s ILE 196 CO 0.10 0.56 0.31 0.42 0.00 0.00 0.00 174.94 176.33 1ira s THR 197 N 0.14 5.29 -0.18 2.92 -4.23 -1.26 -2.17 115.64 116.15 1ira s THR 197 Ca -0.12 0.57 -0.09 0.00 -1.18 0.00 0.00 61.69 60.87 1ira s THR 197 Cb -0.16 -3.65 -0.05 0.00 1.34 0.00 0.00 72.50 69.98 1ira s THR 197 CO 0.07 0.36 0.11 -0.76 -0.54 0.00 0.00 174.62 173.86 1ira s LEU 198 N 0.66 4.14 -0.08 4.79 1.43 -0.07 -4.95 118.68 124.61 1ira s LEU 198 Ca 0.17 0.23 -0.30 0.00 -1.03 0.00 0.00 54.13 53.20 1ira s LEU 198 Cb -0.13 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 1ira s LEU 198 CO 0.05 0.22 1.18 -1.61 0.23 0.00 0.00 176.35 176.42 1ira s GLU 199 N 0.13 4.34 -0.38 1.70 2.02 -1.26 -1.11 118.70 124.14 1ira s GLU 199 Ca 0.08 1.64 -0.27 0.00 0.02 0.00 0.00 54.97 56.43 1ira s GLU 199 Cb -0.11 -3.58 -0.05 0.00 0.10 0.00 0.00 34.13 30.48 1ira s GLU 199 CO -0.01 -0.47 2.18 -1.21 0.02 0.00 0.00 175.26 175.78 1ira s GLU 200 N 2.37 2.72 0.20 1.61 2.02 -1.26 -4.93 118.70 121.43 1ira s GLU 200 Ca 0.55 1.54 -0.25 0.00 0.02 0.00 0.00 54.97 56.83 1ira s GLU 200 Cb -0.23 -4.43 -0.08 0.00 0.10 0.00 0.00 34.13 29.49 1ira s GLU 200 CO 0.20 -2.58 0.80 1.21 0.02 0.00 0.00 175.26 174.91 1ira s ASN 201 N 9.38 7.34 0.25 -0.19 2.47 -1.26 -5.03 114.94 127.90 1ira s ASN 201 Ca 0.92 1.65 -0.30 0.00 0.42 0.00 0.00 52.86 55.56 1ira s ASN 201 Cb -0.23 -2.50 -0.09 0.00 -1.45 0.00 0.00 41.25 36.97 1ira s ASN 201 CO 0.30 0.14 1.27 -1.59 -3.72 0.00 0.00 177.10 173.50 1ira s LYS 202 N -1.42 4.42 -1.52 0.43 -2.85 -1.26 -4.93 119.74 112.61 1ira s LYS 202 Ca 0.39 2.06 -0.12 0.00 -1.00 0.00 0.00 55.97 57.30 1ira s LYS 202 Cb -0.22 -3.16 -0.01 0.00 -2.06 0.00 0.00 37.83 32.39 1ira s LYS 202 CO 0.25 -0.15 2.51 -0.35 0.10 0.00 0.00 175.35 177.71 1ira n PRO 203 N 1.84 3.17 -1.56 1.78 -0.04 -1.26 -4.97 135.00 133.96 1ira n PRO 203 Ca 0.03 -2.44 -0.50 0.00 -0.04 0.00 0.00 63.50 60.55 1ira n PRO 203 Cb 0.43 -3.10 -0.04 0.00 -0.04 0.00 0.00 33.50 30.75 1ira n PRO 203 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1ira n THR 204 N 4.52 0.88 -4.40 0.52 -1.04 -1.26 -4.93 114.28 108.57 1ira n THR 204 Ca 0.62 -0.22 -0.31 0.00 -2.04 0.00 0.00 64.05 62.10 1ira n THR 204 Cb 0.33 -0.71 -0.10 0.00 -1.82 0.00 0.00 70.33 68.03 1ira n THR 204 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1ira s ARG 205 N -0.38 2.44 0.24 -2.82 3.52 -1.26 -4.88 118.95 115.81 1ira s ARG 205 Ca 0.74 -0.81 -0.31 0.00 -0.13 0.00 0.00 55.73 55.22 1ira s ARG 205 Cb -0.90 -2.45 -0.12 0.00 -1.56 0.00 0.00 34.95 29.93 1ira s ARG 205 CO 0.53 0.57 1.69 -1.25 -0.81 0.00 0.00 175.30 176.03 1ira s PRO 206 N -1.65 4.11 -0.20 5.12 0.04 -1.26 -4.90 135.00 136.26 1ira s PRO 206 Ca 0.19 2.62 -0.02 0.00 0.04 0.00 0.00 61.00 63.82 1ira s PRO 206 Cb -0.11 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1ira s PRO 206 CO 0.10 -0.72 -0.10 0.08 0.04 0.00 0.00 177.00 176.39 1ira s VAL 207 N 0.74 2.88 -0.41 -0.36 1.01 -0.49 -4.62 120.40 119.17 1ira s VAL 207 Ca 0.71 -0.66 -0.23 0.00 0.00 0.00 0.00 61.98 61.80 1ira s VAL 207 Cb -0.49 -2.28 0.02 0.00 0.00 0.00 0.00 36.38 33.62 1ira s VAL 207 CO 0.38 0.47 0.77 -0.63 0.00 0.00 0.00 175.10 176.09 1ira s ILE 208 N 1.33 4.71 -0.86 2.22 1.01 -1.26 -0.13 121.20 128.21 1ira s ILE 208 Ca 0.04 0.63 0.24 0.00 0.00 0.00 0.00 60.65 61.56 1ira s ILE 208 Cb -0.14 -4.25 -0.03 0.00 0.01 0.00 0.00 42.46 38.05 1ira s ILE 208 CO -0.06 -0.56 1.27 0.55 0.00 0.00 0.00 174.94 176.15 1ira n VAL 209 N 5.94 0.09 -3.64 2.92 3.14 -0.06 -4.90 118.33 121.82 1ira n VAL 209 Ca 0.02 -0.09 -0.05 0.00 -2.96 0.00 0.00 64.34 61.25 1ira n VAL 209 Cb 0.48 0.24 -0.07 0.00 -1.06 0.00 0.00 33.84 33.44 1ira n VAL 209 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1ira s SER 210 N -3.39 -0.56 1.26 6.55 0.15 -1.17 -4.72 113.70 111.82 1ira s SER 210 Ca 0.08 0.95 -0.19 0.00 0.70 0.00 0.00 55.95 57.49 1ira s SER 210 Cb 0.16 1.14 0.29 0.00 -1.71 0.00 0.00 66.02 65.90 1ira s SER 210 CO 0.74 -0.15 0.97 -0.81 1.20 0.00 0.00 173.24 175.19 1ira n PRO 211 N 3.32 -3.18 -2.79 5.44 -0.04 -1.26 0.07 135.00 136.56 1ira n PRO 211 Ca -0.17 -1.56 -0.13 0.00 -0.04 0.00 0.00 63.50 61.59 1ira n PRO 211 Cb 0.57 -1.52 0.01 0.00 -0.04 0.00 0.00 33.50 32.52 1ira n PRO 211 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ira n ALA 212 N -4.82 3.25 -3.55 0.55 0.00 -1.26 -4.71 120.51 109.96 1ira n ALA 212 Ca -0.19 -3.36 -0.25 0.00 0.00 0.00 0.00 53.44 49.64 1ira n ALA 212 Cb 0.54 -0.90 0.04 0.00 0.00 0.00 0.00 19.45 19.13 1ira n ALA 212 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ira n ASN 213 N -0.02 -5.79 -4.58 0.00 4.13 -0.97 -4.92 115.26 103.12 1ira n ASN 213 Ca 0.16 -0.87 -0.31 0.00 1.68 0.00 0.00 54.58 55.25 1ira n ASN 213 Cb 0.75 -3.76 -0.08 0.00 -1.54 0.00 0.00 39.78 35.15 1ira n ASN 213 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 1ira s GLU 214 N -5.35 2.12 0.26 3.52 -1.05 -1.07 -4.96 118.70 112.19 1ira s GLU 214 Ca 0.40 -2.34 0.11 0.00 -0.15 0.00 0.00 54.97 52.99 1ira s GLU 214 Cb -0.12 -1.27 -0.05 0.00 -0.44 0.00 0.00 34.13 32.25 1ira s GLU 214 CO 0.83 -0.40 -0.17 0.95 0.95 0.00 0.00 175.26 177.43 1ira s THR 215 N -2.97 2.65 -0.06 1.83 -4.23 -1.26 -0.58 115.64 111.02 1ira s THR 215 Ca 0.11 -2.26 -0.03 0.00 -1.18 0.00 0.00 61.69 58.33 1ira s THR 215 Cb 0.02 -2.38 0.04 0.00 1.34 0.00 0.00 72.50 71.52 1ira s THR 215 CO 0.06 -0.36 0.12 -0.32 -0.54 0.00 0.00 174.62 173.59 1ira s MET 216 N -3.42 0.01 -0.34 3.99 1.75 -0.44 -4.86 119.30 115.98 1ira s MET 216 Ca 0.29 0.45 -0.29 0.00 -1.25 0.00 0.00 55.69 54.89 1ira s MET 216 Cb -0.06 -0.30 0.01 0.00 2.84 0.00 0.00 34.83 37.32 1ira s MET 216 CO 0.15 -0.27 1.30 -1.21 -0.65 0.00 0.00 175.02 174.34 1ira s GLU 217 N 1.91 3.83 0.02 4.11 2.02 -1.26 -0.74 118.70 128.59 1ira s GLU 217 Ca -0.00 1.10 0.05 0.00 0.02 0.00 0.00 54.97 56.14 1ira s GLU 217 Cb -0.12 -3.91 -0.02 0.00 0.10 0.00 0.00 34.13 30.18 1ira s GLU 217 CO -0.05 -1.24 -0.14 0.08 0.02 0.00 0.00 175.26 173.93 1ira s VAL 218 N 4.59 1.13 0.40 2.63 1.01 0.46 -4.83 120.40 125.79 1ira s VAL 218 Ca 0.56 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.63 1ira s VAL 218 Cb -0.15 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 1ira s VAL 218 CO 0.26 0.14 0.73 -1.81 0.00 0.00 0.00 175.10 174.42 1ira s ASP 219 N -0.79 6.44 0.24 3.32 1.11 -1.26 -4.05 116.67 121.68 1ira s ASP 219 Ca 0.03 0.99 -0.30 0.00 0.18 0.00 0.00 52.55 53.46 1ira s ASP 219 Cb -0.07 -2.26 -0.09 0.00 1.07 0.00 0.00 42.92 41.57 1ira s ASP 219 CO 0.01 -0.40 1.13 -0.22 1.18 0.00 0.00 175.17 176.86 1ira s LEU 220 N -4.01 4.52 0.00 1.23 2.96 -1.26 -3.32 118.68 118.79 1ira s LEU 220 Ca 0.49 2.24 0.00 0.00 -0.22 0.00 0.00 54.13 56.64 1ira s LEU 220 Cb -0.10 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.97 1ira s LEU 220 CO 0.34 -0.21 0.00 0.61 -1.32 0.00 0.00 176.35 175.77 1ira n GLY 221 N 1.54 0.66 4.03 7.98 0.00 -0.85 -4.96 105.19 113.59 1ira n GLY 221 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1ira n GLY 221 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ira s SER 222 N -2.25 4.80 -0.06 1.61 1.04 -1.21 -4.64 113.70 112.99 1ira s SER 222 Ca 0.00 -0.79 0.04 0.00 0.48 0.00 0.00 55.95 55.68 1ira s SER 222 Cb 0.00 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1ira s SER 222 CO 0.00 -1.57 -0.17 -1.58 0.98 0.00 0.00 173.24 170.90 1ira s GLN 223 N -4.84 1.98 0.14 4.02 0.74 -1.26 -0.09 119.66 120.34 1ira s GLN 223 Ca 0.64 -0.60 -0.00 0.00 0.05 0.00 0.00 55.36 55.45 1ira s GLN 223 Cb -0.05 -1.64 -0.04 0.00 1.10 0.00 0.00 33.01 32.38 1ira s GLN 223 CO 0.41 0.17 0.03 0.96 -0.55 0.00 0.00 175.29 176.31 1ira s ILE 224 N 0.28 0.31 -0.15 -2.34 -4.36 -1.10 -5.03 121.20 108.82 1ira s ILE 224 Ca -0.10 -1.93 0.01 0.00 -0.26 0.00 0.00 60.65 58.37 1ira s ILE 224 Cb -0.14 -2.02 0.02 0.00 1.25 0.00 0.00 42.46 41.57 1ira s ILE 224 CO 0.04 -0.52 -0.15 -1.10 0.24 0.00 0.00 174.94 173.45 1ira s GLN 225 N -3.99 2.35 -0.36 0.37 -0.21 -1.26 -1.37 119.66 115.20 1ira s GLN 225 Ca 0.22 -0.58 -0.13 0.00 0.02 0.00 0.00 55.36 54.89 1ira s GLN 225 Cb 0.07 -2.12 -0.00 0.00 1.00 0.00 0.00 33.01 31.96 1ira s GLN 225 CO 0.01 -0.21 0.24 -0.51 -2.12 0.00 0.00 175.29 172.71 1ira s LEU 226 N 1.40 4.65 -0.20 2.90 1.43 -0.14 -4.92 118.68 123.80 1ira s LEU 226 Ca 0.03 -0.62 -0.10 0.00 -1.03 0.00 0.00 54.13 52.41 1ira s LEU 226 Cb -0.13 -2.12 -0.05 0.00 0.03 0.00 0.00 46.19 43.92 1ira s LEU 226 CO -0.10 -0.30 0.14 -0.63 0.23 0.00 0.00 176.35 175.69 1ira s ILE 227 N 1.68 5.41 -0.22 -0.59 1.01 -1.26 -0.34 121.20 126.89 1ira s ILE 227 Ca 0.05 0.20 -0.06 0.00 0.00 0.00 0.00 60.65 60.84 1ira s ILE 227 Cb -0.18 -3.48 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 1ira s ILE 227 CO 0.09 0.43 0.03 0.00 0.00 0.00 0.00 174.94 175.50 1ira s ASN 229 N 1.17 5.08 -0.00 0.00 3.84 0.11 -1.95 114.94 123.20 1ira s ASN 229 Ca 0.04 -1.49 0.03 0.00 0.21 0.00 0.00 52.86 51.65 1ira s ASN 229 Cb -0.14 -1.78 -0.03 0.00 -0.55 0.00 0.00 41.25 38.75 1ira s ASN 229 CO 0.02 -0.36 -0.08 -0.69 -2.79 0.00 0.00 177.10 173.20 1ira s VAL 230 N 1.24 3.54 -0.17 -5.21 1.01 -0.41 -0.88 120.40 119.53 1ira s VAL 230 Ca -0.00 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 1ira s VAL 230 Cb -0.21 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 1ira s VAL 230 CO -0.01 0.42 -0.05 -0.89 0.00 0.00 0.00 175.10 174.56 1ira s THR 231 N -0.96 3.61 -3.74 3.92 2.01 0.81 -0.50 115.64 120.78 1ira s THR 231 Ca 0.16 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.72 1ira s THR 231 Cb -0.11 -2.59 0.00 0.00 0.01 0.00 0.00 72.50 69.81 1ira s THR 231 CO 0.06 0.47 0.00 0.61 -0.69 0.00 0.00 174.62 175.08 1ira n GLY 232 N 3.92 -0.97 3.77 4.40 0.00 0.43 -1.39 105.19 115.35 1ira n GLY 232 Ca -0.18 -1.06 -0.37 0.00 0.00 0.00 0.00 46.02 44.41 1ira n GLY 232 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ira s GLN 233 N -1.50 3.86 0.62 1.61 1.11 -1.21 -1.07 119.66 123.08 1ira s GLN 233 Ca 0.00 1.80 0.41 0.00 0.01 0.00 0.00 55.36 57.57 1ira s GLN 233 Cb 0.00 -2.50 2.22 0.00 -1.01 0.00 0.00 33.01 31.73 1ira s GLN 233 CO 0.00 -0.47 2.25 -0.07 0.01 0.00 0.00 175.29 177.01 1ira h LEU 234 N 2.24 0.00 -0.25 2.90 3.38 -1.91 0.27 115.31 121.93 1ira h LEU 234 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1ira h LEU 234 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1ira h LEU 234 CO 0.61 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.60 1ira n SER 235 N -2.95 0.39 -4.80 -0.43 3.41 -1.26 -4.89 113.62 103.09 1ira n SER 235 Ca -0.03 -1.13 -0.35 0.00 -0.26 0.00 0.00 58.87 57.11 1ira n SER 235 Cb 0.08 -0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.98 1ira n SER 235 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1ira s ASP 236 N -2.00 6.73 -0.35 4.04 1.01 0.08 -5.01 116.67 121.16 1ira s ASP 236 Ca 0.45 1.87 -0.19 0.00 0.71 0.00 0.00 52.55 55.40 1ira s ASP 236 Cb 0.22 -2.56 -0.00 0.00 1.01 0.00 0.00 42.92 41.58 1ira s ASP 236 CO 0.36 -0.51 0.54 -0.63 0.21 0.00 0.00 175.17 175.14 1ira s ILE 237 N -1.93 4.99 -0.09 0.77 1.01 -0.69 -4.94 121.20 120.32 1ira s ILE 237 Ca 0.62 0.36 0.03 0.00 0.00 0.00 0.00 60.65 61.66 1ira s ILE 237 Cb -0.16 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.33 1ira s ILE 237 CO 0.20 -0.25 -0.20 0.00 0.00 0.00 0.00 174.94 174.69 1ira s ALA 238 N 2.45 1.90 0.13 9.38 0.00 -1.26 -0.52 121.76 133.85 1ira s ALA 238 Ca 0.20 -0.81 -0.23 0.00 0.00 0.00 0.00 51.96 51.11 1ira s ALA 238 Cb -0.15 -0.75 0.07 0.00 0.00 0.00 0.00 23.12 22.28 1ira s ALA 238 CO 0.14 0.21 0.59 1.52 0.00 0.00 0.00 175.76 178.22 1ira s TYR 239 N 0.48 -0.53 0.26 0.00 1.13 0.42 -4.93 117.35 114.18 1ira s TYR 239 Ca -0.17 0.39 -0.02 0.00 -1.41 0.00 0.00 57.07 55.86 1ira s TYR 239 Cb -0.17 0.52 -0.04 0.00 -1.10 0.00 0.00 41.96 41.16 1ira s TYR 239 CO 0.07 -0.81 0.48 -1.58 -2.51 0.00 0.00 175.55 171.20 1ira s TRP 240 N -3.45 3.48 -0.12 -3.49 0.52 -1.26 -0.22 118.94 114.40 1ira s TRP 240 Ca -0.00 0.46 -0.10 0.00 0.02 0.00 0.00 56.10 56.48 1ira s TRP 240 Cb -0.01 -1.95 0.04 0.00 -1.15 0.00 0.00 33.47 30.40 1ira s TRP 240 CO -0.10 0.26 0.32 0.15 0.02 0.00 0.00 176.95 177.59 1ira s LYS 241 N -3.57 0.34 -0.09 4.98 1.02 0.10 -4.19 119.74 118.33 1ira s LYS 241 Ca 0.41 0.51 0.01 0.00 0.02 0.00 0.00 55.97 56.92 1ira s LYS 241 Cb -0.11 0.09 0.02 0.00 -0.52 0.00 0.00 37.83 37.31 1ira s LYS 241 CO 0.30 -0.09 -0.11 -0.46 -0.92 0.00 0.00 175.35 174.07 1ira s TRP 242 N 0.59 1.59 -1.31 3.18 -0.00 0.28 -0.49 118.94 122.78 1ira s TRP 242 Ca -0.03 -0.70 -0.01 0.00 -0.00 0.00 0.00 56.10 55.35 1ira s TRP 242 Cb -0.05 -1.21 0.01 0.00 -0.00 0.00 0.00 33.47 32.22 1ira s TRP 242 CO -0.04 -0.41 0.76 -1.71 -0.00 0.00 0.00 176.95 175.56 1ira n ASN 243 N 4.29 -1.60 -1.29 5.86 5.15 -1.26 -1.38 115.26 125.03 1ira n ASN 243 Ca -0.19 -0.79 -0.16 0.00 -0.60 0.00 0.00 54.58 52.85 1ira n ASN 243 Cb 0.51 -4.19 -0.07 0.00 -0.53 0.00 0.00 39.78 35.50 1ira n ASN 243 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ira n GLY 244 N -1.54 1.51 3.36 8.20 0.00 -1.26 -4.95 105.19 110.51 1ira n GLY 244 Ca -0.27 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 1ira n GLY 244 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ira s SER 245 N -2.48 2.85 0.17 1.61 0.01 -0.48 -5.13 113.70 110.25 1ira s SER 245 Ca 0.00 -0.89 -0.03 0.00 1.31 0.00 0.00 55.95 56.34 1ira s SER 245 Cb 0.00 -0.18 -0.05 0.00 0.21 0.00 0.00 66.02 66.00 1ira s SER 245 CO 0.00 -0.02 0.39 0.68 0.41 0.00 0.00 173.24 174.70 1ira s VAL 246 N -2.10 5.18 -0.19 3.43 -7.23 -1.26 -0.56 120.40 117.67 1ira s VAL 246 Ca 0.18 -0.11 -0.29 0.00 -1.81 0.00 0.00 61.98 59.94 1ira s VAL 246 Cb -0.06 -3.67 -0.02 0.00 0.56 0.00 0.00 36.38 33.19 1ira s VAL 246 CO 0.08 -0.05 1.47 -0.63 -0.31 0.00 0.00 175.10 175.66 1ira s ILE 247 N -1.75 3.91 0.10 -0.62 -1.09 -1.26 -4.92 121.20 115.57 1ira s ILE 247 Ca 0.40 1.06 -0.08 0.00 -2.23 0.00 0.00 60.65 59.81 1ira s ILE 247 Cb -0.12 -3.82 -0.06 0.00 -1.58 0.00 0.00 42.46 36.88 1ira s ILE 247 CO 0.27 -0.25 0.38 -1.81 -1.23 0.00 0.00 174.94 172.30 1ira s ASP 248 N 3.21 6.57 0.55 3.58 1.01 -1.26 -4.97 116.67 125.35 1ira s ASP 248 Ca 0.64 0.70 0.23 0.00 0.71 0.00 0.00 52.55 54.83 1ira s ASP 248 Cb -0.24 -2.14 1.45 0.00 1.01 0.00 0.00 42.92 43.00 1ira s ASP 248 CO 0.24 0.13 2.11 -0.08 0.21 0.00 0.00 175.17 177.78 1ira h GLU 249 N 3.37 0.00 0.00 8.23 4.81 -1.95 -1.14 114.58 127.90 1ira h GLU 249 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1ira h GLU 249 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1ira h GLU 249 CO 0.69 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.72 1ira n ASP 250 N -4.26 0.00 -4.53 1.04 10.43 -1.26 -4.69 116.55 113.28 1ira n ASP 250 Ca 0.01 -1.32 -0.43 0.00 2.57 0.00 0.00 54.79 55.63 1ira n ASP 250 Cb 0.27 0.00 -0.06 0.00 1.84 0.00 0.00 41.12 43.18 1ira n ASP 250 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1ira s ASP 251 N -1.42 6.38 0.00 -2.24 -1.08 -0.43 -4.92 116.67 112.96 1ira s ASP 251 Ca 0.08 -0.20 0.13 0.00 -0.52 0.00 0.00 52.55 52.03 1ira s ASP 251 Cb 0.03 -2.37 0.77 0.00 -1.46 0.00 0.00 42.92 39.89 1ira s ASP 251 CO 0.06 -0.90 1.20 -0.81 0.52 0.00 0.00 175.17 175.24 1ira n PRO 252 N 6.64 0.52 0.00 4.34 -0.04 -1.26 -3.13 135.00 142.08 1ira n PRO 252 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1ira n PRO 252 Cb 0.48 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1ira n PRO 252 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1ira n VAL 253 N -0.88 0.00 -4.05 0.52 3.14 -1.26 -4.92 118.33 110.88 1ira n VAL 253 Ca 0.10 -0.02 -0.32 0.00 -2.96 0.00 0.00 64.34 61.14 1ira n VAL 253 Cb 0.04 0.32 -0.15 0.00 -1.06 0.00 0.00 33.84 32.99 1ira n VAL 253 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1ira s LEU 254 N -1.46 3.26 -0.06 6.55 1.43 -1.18 -0.75 118.68 126.47 1ira s LEU 254 Ca 0.00 -1.33 0.02 0.00 -1.03 0.00 0.00 54.13 51.79 1ira s LEU 254 Cb 0.00 -1.49 0.01 0.00 0.03 0.00 0.00 46.19 44.74 1ira s LEU 254 CO 0.00 -0.19 -0.10 -0.83 0.23 0.00 0.00 176.35 175.46 1ira s GLY 255 N 1.15 0.68 0.18 -3.19 0.00 -0.89 -4.59 107.32 100.65 1ira s GLY 255 Ca -0.08 -0.30 0.08 0.00 0.00 0.00 0.00 44.72 44.42 1ira s GLY 255 CO -0.06 0.19 -0.07 -1.83 0.00 0.00 0.00 173.10 171.33 1ira s GLU 256 N 0.69 2.14 0.09 2.90 -1.05 -1.26 -0.46 118.70 121.75 1ira s GLU 256 Ca -0.13 -1.23 0.04 0.00 -0.15 0.00 0.00 54.97 53.50 1ira s GLU 256 Cb -0.15 -2.21 -0.03 0.00 -0.44 0.00 0.00 34.13 31.30 1ira s GLU 256 CO 0.03 0.44 -0.11 -0.51 0.95 0.00 0.00 175.26 176.05 1ira s ASP 257 N -2.85 1.51 -0.04 0.83 1.01 -0.36 -4.99 116.67 111.77 1ira s ASP 257 Ca 0.25 -0.74 0.04 0.00 0.71 0.00 0.00 52.55 52.82 1ira s ASP 257 Cb -0.09 -0.01 -0.00 0.00 1.01 0.00 0.00 42.92 43.83 1ira s ASP 257 CO 0.16 -0.20 -0.18 -0.31 0.21 0.00 0.00 175.17 174.85 1ira s TYR 258 N -2.02 1.75 -0.24 4.23 1.51 -1.26 -1.64 117.35 119.68 1ira s TYR 258 Ca 0.02 -0.50 -0.14 0.00 -1.01 0.00 0.00 57.07 55.45 1ira s TYR 258 Cb -0.06 -1.18 0.07 0.00 -0.11 0.00 0.00 41.96 40.69 1ira s TYR 258 CO 0.01 -0.16 0.59 1.52 -1.11 0.00 0.00 175.55 176.39 1ira s TYR 259 N 0.00 -0.87 0.20 2.71 -0.85 -0.33 -5.03 117.35 113.18 1ira s TYR 259 Ca -0.03 1.80 0.11 0.00 -0.52 0.00 0.00 57.07 58.43 1ira s TYR 259 Cb -0.11 0.48 -0.04 0.00 0.38 0.00 0.00 41.96 42.66 1ira s TYR 259 CO 0.02 -0.45 -0.22 -1.12 -1.52 0.00 0.00 175.55 172.26 1ira s SER 260 N 1.45 3.54 -0.12 -0.18 0.01 -1.26 -0.38 113.70 116.76 1ira s SER 260 Ca -0.09 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.31 1ira s SER 260 Cb -0.06 -0.31 0.02 0.00 0.21 0.00 0.00 66.02 65.88 1ira s SER 260 CO -0.16 0.11 -0.10 -0.69 0.41 0.00 0.00 173.24 172.81 1ira s VAL 261 N -1.78 1.21 0.18 3.43 1.01 0.03 -5.00 120.40 119.48 1ira s VAL 261 Ca 0.22 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 1ira s VAL 261 Cb -0.08 -1.18 -0.08 0.00 0.00 0.00 0.00 36.38 35.04 1ira s VAL 261 CO 0.11 0.40 1.17 -0.70 0.00 0.00 0.00 175.10 176.08 1ira s GLU 262 N 1.57 4.51 -0.40 2.72 2.12 -1.26 -2.03 118.70 125.93 1ira s GLU 262 Ca 0.04 1.83 -0.27 0.00 0.36 0.00 0.00 54.97 56.93 1ira s GLU 262 Cb -0.13 -3.25 0.02 0.00 0.26 0.00 0.00 34.13 31.03 1ira s GLU 262 CO -0.08 -0.05 1.01 1.21 -0.54 0.00 0.00 175.26 176.81 1ira s ASN 263 N 0.09 6.70 0.04 -1.70 3.84 -1.26 -4.92 114.94 117.73 1ira s ASN 263 Ca 0.52 0.59 0.06 0.00 0.21 0.00 0.00 52.86 54.25 1ira s ASN 263 Cb -0.32 -2.50 0.30 0.00 -0.55 0.00 0.00 41.25 38.18 1ira s ASN 263 CO 0.36 -0.99 1.20 -0.81 -2.79 0.00 0.00 177.10 174.07 1ira n PRO 264 N 7.13 0.02 -0.09 0.43 -0.04 -1.26 -2.63 135.00 138.56 1ira n PRO 264 Ca 0.09 0.44 -0.11 0.00 -0.04 0.00 0.00 63.50 63.88 1ira n PRO 264 Cb 0.48 -1.55 -0.09 0.00 -0.04 0.00 0.00 33.50 32.30 1ira n PRO 264 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ira n ALA 265 N -1.53 1.62 -3.41 0.55 0.00 -1.26 -4.95 120.51 111.53 1ira n ALA 265 Ca 0.01 -0.81 -0.16 0.00 0.00 0.00 0.00 53.44 52.48 1ira n ALA 265 Cb 0.06 0.05 -0.10 0.00 0.00 0.00 0.00 19.45 19.46 1ira n ALA 265 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ira s ASN 266 N -5.53 1.35 0.63 0.00 2.47 -1.08 -5.00 114.94 107.78 1ira s ASN 266 Ca -0.21 -0.50 0.37 0.00 0.42 0.00 0.00 52.86 52.95 1ira s ASN 266 Cb 0.06 0.60 2.11 0.00 -1.45 0.00 0.00 41.25 42.57 1ira s ASN 266 CO 0.46 -0.36 2.29 0.07 -3.72 0.00 0.00 177.10 175.84 1ira h LYS 267 N 8.26 0.00 0.00 0.43 2.10 -1.92 -0.57 116.57 124.86 1ira h LYS 267 Ca -0.15 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.50 1ira h LYS 267 Cb 1.10 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.43 1ira h LYS 267 CO 0.31 0.00 -0.03 0.00 -2.00 0.00 0.00 179.45 177.73 1ira h ARG 268 N 0.00 0.00 -2.21 0.07 2.47 -1.90 -3.31 114.38 109.49 1ira h ARG 268 Ca 0.01 0.00 -0.58 0.00 -1.26 0.00 0.00 59.98 58.14 1ira h ARG 268 Cb 0.06 0.00 -0.42 0.00 -1.65 0.00 0.00 29.97 27.96 1ira h ARG 268 CO -0.00 0.03 -0.70 0.54 0.56 0.00 0.00 179.97 180.40 1ira n ARG 269 N -3.13 2.67 -3.04 0.04 1.74 -0.22 -3.34 116.66 111.38 1ira n ARG 269 Ca 0.01 -4.58 -0.18 0.00 -0.77 0.00 0.00 57.85 52.33 1ira n ARG 269 Cb 0.35 -2.14 0.01 0.00 -1.02 0.00 0.00 32.46 29.66 1ira n ARG 269 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1ira s SER 270 N -2.93 5.67 -0.13 0.55 0.01 -0.23 -4.61 113.70 112.03 1ira s SER 270 Ca 0.44 -0.30 -0.05 0.00 1.31 0.00 0.00 55.95 57.36 1ira s SER 270 Cb 0.24 -0.82 -0.04 0.00 0.21 0.00 0.00 66.02 65.61 1ira s SER 270 CO -0.09 -0.75 0.06 0.42 0.41 0.00 0.00 173.24 173.28 1ira s THR 271 N -2.38 4.78 -0.16 1.44 -4.23 -0.86 -0.43 115.64 113.80 1ira s THR 271 Ca 0.53 -0.06 0.01 0.00 -1.18 0.00 0.00 61.69 61.00 1ira s THR 271 Cb -0.10 -3.08 0.02 0.00 1.34 0.00 0.00 72.50 70.68 1ira s THR 271 CO 0.34 0.56 -0.17 -0.76 -0.54 0.00 0.00 174.62 174.04 1ira s LEU 272 N -0.48 1.91 -0.10 4.79 1.43 0.34 -0.79 118.68 125.78 1ira s LEU 272 Ca 0.10 -0.56 -0.00 0.00 -1.03 0.00 0.00 54.13 52.64 1ira s LEU 272 Cb -0.12 -1.32 -0.03 0.00 0.03 0.00 0.00 46.19 44.75 1ira s LEU 272 CO 0.02 -0.01 -0.08 -0.63 0.23 0.00 0.00 176.35 175.87 1ira s ILE 273 N 1.30 3.53 -0.25 -0.59 1.09 0.49 -1.28 121.20 125.48 1ira s ILE 273 Ca 0.03 -0.52 -0.01 0.00 -1.10 0.00 0.00 60.65 59.05 1ira s ILE 273 Cb -0.13 -2.47 0.07 0.00 -1.06 0.00 0.00 42.46 38.87 1ira s ILE 273 CO -0.10 0.56 0.03 -0.89 -0.10 0.00 0.00 174.94 174.44 1ira s THR 274 N -0.28 1.02 -0.17 2.92 2.01 -0.82 -1.18 115.64 119.14 1ira s THR 274 Ca 0.03 -1.11 -0.13 0.00 0.31 0.00 0.00 61.69 60.80 1ira s THR 274 Cb -0.13 -1.54 -0.05 0.00 0.01 0.00 0.00 72.50 70.80 1ira s THR 274 CO 0.03 -0.35 0.25 -0.69 -0.69 0.00 0.00 174.62 173.17 1ira s VAL 275 N 1.60 5.33 -0.31 3.82 1.01 -0.65 -1.31 120.40 129.89 1ira s VAL 275 Ca 0.02 0.46 -0.10 0.00 0.00 0.00 0.00 61.98 62.36 1ira s VAL 275 Cb -0.18 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 1ira s VAL 275 CO -0.13 0.41 0.15 -0.22 0.00 0.00 0.00 175.10 175.31 1ira s LEU 276 N 0.38 4.12 -0.40 3.92 2.96 0.54 -1.22 118.68 128.96 1ira s LEU 276 Ca 0.15 -0.55 -0.16 0.00 -0.22 0.00 0.00 54.13 53.34 1ira s LEU 276 Cb -0.13 -2.00 0.01 0.00 0.50 0.00 0.00 46.19 44.58 1ira s LEU 276 CO 0.03 -0.20 0.39 0.20 -1.32 0.00 0.00 176.35 175.45 1ira s ASN 277 N 1.61 6.17 -0.53 3.68 0.01 0.39 -0.97 114.94 125.31 1ira s ASN 277 Ca 0.04 -0.62 -0.18 0.00 -0.71 0.00 0.00 52.86 51.40 1ira s ASN 277 Cb -0.17 -2.20 0.08 0.00 0.41 0.00 0.00 41.25 39.37 1ira s ASN 277 CO 0.06 -0.50 0.58 -0.63 -1.51 0.00 0.00 177.10 175.10 1ira s ILE 278 N 2.02 4.99 0.27 0.60 1.01 -0.47 -2.11 121.20 127.52 1ira s ILE 278 Ca 0.11 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.86 1ira s ILE 278 Cb -0.17 -4.32 0.26 0.00 0.01 0.00 0.00 42.46 38.24 1ira s ILE 278 CO 0.12 -0.85 1.74 0.28 0.00 0.00 0.00 174.94 176.24 1ira h SER 279 N 8.98 0.50 -3.33 3.58 0.02 -1.23 -2.92 113.55 119.15 1ira h SER 279 Ca -0.29 0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 60.75 1ira h SER 279 Cb 1.10 0.04 -0.22 0.00 0.14 0.00 0.00 62.40 63.45 1ira h SER 279 CO 0.99 0.16 -0.02 -0.70 -1.14 0.00 0.00 176.83 176.12 1ira s GLU 280 N -5.93 0.67 -0.14 3.45 2.12 -1.25 -4.36 118.70 113.25 1ira s GLU 280 Ca -0.12 1.06 -0.29 0.00 0.36 0.00 0.00 54.97 55.98 1ira s GLU 280 Cb 0.23 0.18 -0.03 0.00 0.26 0.00 0.00 34.13 34.77 1ira s GLU 280 CO 0.78 -0.13 1.53 0.42 -0.54 0.00 0.00 175.26 177.32 1ira s ILE 281 N 1.21 3.81 0.24 -3.70 -1.09 0.87 -4.93 121.20 117.62 1ira s ILE 281 Ca -0.07 0.96 0.07 0.00 -2.23 0.00 0.00 60.65 59.39 1ira s ILE 281 Cb -0.05 -3.69 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 1ira s ILE 281 CO -0.13 -0.16 0.16 -1.61 -1.23 0.00 0.00 174.94 171.98 1ira s GLU 282 N 4.09 2.84 0.27 2.79 2.02 -1.26 -2.00 118.70 127.44 1ira s GLU 282 Ca 0.67 -1.08 -0.00 0.00 0.02 0.00 0.00 54.97 54.58 1ira s GLU 282 Cb -0.27 -2.52 0.55 0.00 0.10 0.00 0.00 34.13 31.99 1ira s GLU 282 CO 0.25 0.41 1.77 0.77 0.02 0.00 0.00 175.26 178.47 1ira h SER 283 N 1.66 0.56 -0.61 -0.19 0.02 -2.01 -2.20 113.55 110.78 1ira h SER 283 Ca -0.48 0.09 0.12 0.00 -0.84 0.00 0.00 61.79 60.69 1ira h SER 283 Cb 1.24 -0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.74 1ira h SER 283 CO 0.61 0.23 0.41 0.08 -1.14 0.00 0.00 176.83 177.03 1ira h ARG 284 N 0.65 0.29 0.00 3.45 0.11 -2.02 -2.61 114.38 114.25 1ira h ARG 284 Ca 0.48 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 60.53 1ira h ARG 284 Cb 0.67 -0.07 -0.00 0.00 1.11 0.00 0.00 29.97 31.69 1ira h ARG 284 CO -0.36 0.19 -0.03 0.74 0.10 0.00 0.00 179.97 180.61 1ira h PHE 285 N 0.30 0.00 0.00 4.08 0.04 -1.73 -0.93 116.94 118.69 1ira h PHE 285 Ca 0.29 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.06 1ira h PHE 285 Cb 0.73 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.88 1ira h PHE 285 CO -0.00 0.03 -0.30 0.66 -0.60 0.00 0.00 178.31 178.10 1ira n TYR 286 N -3.56 0.40 0.19 -0.55 4.02 -0.98 -3.89 117.16 112.79 1ira n TYR 286 Ca -0.03 0.12 0.08 0.00 -0.01 0.00 0.00 57.90 58.06 1ira n TYR 286 Cb 0.13 -0.60 0.27 0.00 -0.02 0.00 0.00 39.34 39.11 1ira n TYR 286 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1ira h LYS 287 N 0.00 0.00 -2.97 -0.72 1.57 -1.29 -3.46 116.57 109.70 1ira h LYS 287 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1ira h LYS 287 Cb 0.63 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.73 1ira h LYS 287 CO 0.00 0.28 -0.27 -1.01 -0.57 0.00 0.00 179.45 177.89 1ira s HIS 288 N -3.33 -0.24 0.52 -1.35 3.76 -1.25 -5.13 115.29 108.27 1ira s HIS 288 Ca 0.03 0.44 -0.17 0.00 -0.15 0.00 0.00 55.06 55.21 1ira s HIS 288 Cb 0.08 0.11 -0.07 0.00 1.11 0.00 0.00 32.58 33.82 1ira s HIS 288 CO 0.68 -0.35 1.01 -1.25 -0.85 0.00 0.00 174.74 173.97 1ira s PRO 289 N -0.99 3.78 -0.24 8.40 0.04 -1.26 -4.76 135.00 139.98 1ira s PRO 289 Ca -0.10 1.09 -0.19 0.00 0.04 0.00 0.00 61.00 61.83 1ira s PRO 289 Cb -0.04 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 1ira s PRO 289 CO 0.04 -0.42 0.58 -0.06 0.04 0.00 0.00 177.00 177.18 1ira s PHE 290 N -2.46 3.30 -0.12 0.56 0.08 -0.02 -4.27 117.98 115.06 1ira s PHE 290 Ca 0.61 0.77 -0.03 0.00 0.12 0.00 0.00 56.93 58.41 1ira s PHE 290 Cb -0.12 -2.78 -0.03 0.00 -0.57 0.00 0.00 43.02 39.52 1ira s PHE 290 CO 0.30 -0.27 0.00 0.99 -0.10 0.00 0.00 175.22 176.14 1ira s THR 291 N 2.26 4.30 -0.18 0.64 2.01 0.36 -1.01 115.64 124.03 1ira s THR 291 Ca 0.25 -0.23 -0.05 0.00 0.31 0.00 0.00 61.69 61.96 1ira s THR 291 Cb -0.16 -2.85 -0.03 0.00 0.01 0.00 0.00 72.50 69.48 1ira s THR 291 CO 0.09 0.56 -0.00 0.00 -0.69 0.00 0.00 174.62 174.58 1ira s PHE 293 N 0.60 2.72 -0.03 0.00 0.08 0.69 -2.57 117.98 119.48 1ira s PHE 293 Ca -0.01 -0.22 0.02 0.00 0.12 0.00 0.00 56.93 56.84 1ira s PHE 293 Cb -0.14 -1.66 0.01 0.00 -0.57 0.00 0.00 43.02 40.65 1ira s PHE 293 CO 0.02 0.13 -0.09 0.00 -0.10 0.00 0.00 175.22 175.18 1ira s ALA 294 N -0.57 0.90 0.27 5.36 0.00 -0.69 -0.43 121.76 126.60 1ira s ALA 294 Ca 0.08 -0.33 -0.19 0.00 0.00 0.00 0.00 51.96 51.52 1ira s ALA 294 Cb -0.11 -0.35 0.01 0.00 0.00 0.00 0.00 23.12 22.67 1ira s ALA 294 CO 0.01 0.13 0.65 -1.59 0.00 0.00 0.00 175.76 174.97 1ira s LYS 295 N 0.27 1.72 0.00 0.00 -2.85 0.32 -0.32 119.74 118.89 1ira s LYS 295 Ca -0.05 -1.05 0.00 0.00 -1.00 0.00 0.00 55.97 53.87 1ira s LYS 295 Cb -0.10 0.57 0.00 0.00 -2.06 0.00 0.00 37.83 36.25 1ira s LYS 295 CO 0.01 -0.77 0.00 0.27 0.10 0.00 0.00 175.35 174.96 1ira n ASN 296 N -0.44 0.00 -0.03 0.03 0.23 -1.13 -1.70 115.26 112.22 1ira n ASN 296 Ca -0.03 -0.71 0.09 0.00 -0.53 0.00 0.00 54.58 53.40 1ira n ASN 296 Cb 0.60 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.79 1ira n ASN 296 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1ira h THR 297 N 0.71 0.97 0.32 5.53 2.02 -1.98 -3.26 112.91 117.22 1ira h THR 297 Ca 0.00 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1ira h THR 297 Cb 0.00 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1ira h THR 297 CO 0.00 0.08 -0.16 0.45 0.37 0.00 0.00 175.52 176.26 1ira h HIS 298 N 0.41 -0.40 -2.53 3.16 3.86 -1.91 -3.50 115.15 114.24 1ira h HIS 298 Ca 0.21 -0.01 0.15 0.00 -1.16 0.00 0.00 60.37 59.57 1ira h HIS 298 Cb 0.32 0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.88 1ira h HIS 298 CO -0.00 -0.24 0.55 0.20 0.86 0.00 0.00 177.93 179.30 1ira s GLY 299 N -3.05 0.07 0.37 2.45 0.00 -1.23 -5.12 107.32 100.81 1ira s GLY 299 Ca -0.07 -0.28 0.08 0.00 0.00 0.00 0.00 44.72 44.45 1ira s GLY 299 CO 0.20 1.85 0.20 -0.26 0.00 0.00 0.00 173.10 175.09 1ira s ILE 300 N -2.35 2.82 -0.07 0.90 -4.36 -1.26 -2.85 121.20 114.04 1ira s ILE 300 Ca 0.20 -1.62 -0.06 0.00 -0.26 0.00 0.00 60.65 58.91 1ira s ILE 300 Cb -0.03 -3.00 0.02 0.00 1.25 0.00 0.00 42.46 40.71 1ira s ILE 300 CO 0.05 -0.11 0.17 -0.62 0.24 0.00 0.00 174.94 174.67 1ira s ASP 301 N -3.91 -0.18 0.03 4.36 2.15 0.57 -4.98 116.67 114.71 1ira s ASP 301 Ca 0.40 0.35 0.03 0.00 0.43 0.00 0.00 52.55 53.76 1ira s ASP 301 Cb -0.01 0.34 -0.02 0.00 -0.30 0.00 0.00 42.92 42.93 1ira s ASP 301 CO 0.24 -0.07 -0.09 0.00 -0.17 0.00 0.00 175.17 175.08 1ira s ALA 302 N 0.17 0.69 -0.01 3.66 0.00 -1.26 -1.70 121.76 123.31 1ira s ALA 302 Ca -0.01 -0.64 -0.22 0.00 0.00 0.00 0.00 51.96 51.09 1ira s ALA 302 Cb -0.02 -0.05 0.05 0.00 0.00 0.00 0.00 23.12 23.09 1ira s ALA 302 CO -0.00 0.07 0.49 0.00 0.00 0.00 0.00 175.76 176.32 1ira s ALA 303 N -0.92 -1.26 0.33 0.00 0.00 -1.06 -4.97 121.76 113.88 1ira s ALA 303 Ca -0.04 0.72 0.06 0.00 0.00 0.00 0.00 51.96 52.70 1ira s ALA 303 Cb -0.07 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 1ira s ALA 303 CO 0.00 -0.37 0.23 1.52 0.00 0.00 0.00 175.76 177.15 1ira s TYR 304 N -1.62 1.70 -0.05 0.00 -0.85 -1.26 -0.39 117.35 114.88 1ira s TYR 304 Ca -0.10 -1.55 -0.01 0.00 -0.52 0.00 0.00 57.07 54.88 1ira s TYR 304 Cb -0.02 -0.79 0.03 0.00 0.38 0.00 0.00 41.96 41.56 1ira s TYR 304 CO 0.04 -0.73 0.03 0.42 -1.52 0.00 0.00 175.55 173.80 1ira s ILE 305 N -3.48 0.08 -0.37 -3.49 1.01 -0.18 -2.29 121.20 112.48 1ira s ILE 305 Ca 0.37 0.28 -0.11 0.00 0.00 0.00 0.00 60.65 61.20 1ira s ILE 305 Cb 0.03 -0.28 0.03 0.00 0.01 0.00 0.00 42.46 42.25 1ira s ILE 305 CO 0.23 0.20 0.20 -1.58 0.00 0.00 0.00 174.94 173.99 1ira s GLN 306 N 1.92 2.82 0.31 2.79 2.00 0.26 -0.84 119.66 128.92 1ira s GLN 306 Ca 0.03 -1.08 -0.29 0.00 -2.00 0.00 0.00 55.36 52.02 1ira s GLN 306 Cb -0.12 -3.71 -0.10 0.00 0.80 0.00 0.00 33.01 29.88 1ira s GLN 306 CO -0.04 -0.69 1.15 -0.51 -0.50 0.00 0.00 175.29 174.71 1ira s LEU 307 N 1.54 4.47 0.04 3.68 1.43 -1.26 -1.33 118.68 127.25 1ira s LEU 307 Ca 0.02 2.37 -0.01 0.00 -1.03 0.00 0.00 54.13 55.47 1ira s LEU 307 Cb -0.19 -3.69 -0.03 0.00 0.03 0.00 0.00 46.19 42.31 1ira s LEU 307 CO 0.06 -0.30 -0.01 0.27 0.23 0.00 0.00 176.35 176.60 1ira s ILE 308 N -1.20 0.17 0.34 -0.59 -4.36 0.08 -4.71 121.20 110.93 1ira s ILE 308 Ca 0.47 -1.38 -0.26 0.00 -0.26 0.00 0.00 60.65 59.22 1ira s ILE 308 Cb -0.33 -0.98 -0.09 0.00 1.25 0.00 0.00 42.46 42.30 1ira s ILE 308 CO 0.43 -0.76 1.03 -0.31 0.24 0.00 0.00 174.94 175.57 1ira s TYR 309 N -2.86 3.49 0.39 1.37 2.02 -1.26 -0.41 117.35 120.10 1ira s TYR 309 Ca -0.03 1.71 -0.26 0.00 -0.37 0.00 0.00 57.07 58.12 1ira s TYR 309 Cb 0.00 -3.11 -0.09 0.00 -0.40 0.00 0.00 41.96 38.37 1ira s TYR 309 CO -0.06 -0.33 1.24 -1.25 -1.57 0.00 0.00 175.55 173.58 1ira s PRO 310 N -2.05 4.07 0.00 -1.71 0.04 -1.26 -4.79 135.00 129.30 1ira s PRO 310 Ca 0.52 2.02 0.27 0.00 0.04 0.00 0.00 61.00 63.85 1ira s PRO 310 Cb -0.24 -2.78 0.86 0.00 0.04 0.00 0.00 34.50 32.39 1ira s PRO 310 CO 0.30 -0.36 1.64 0.28 0.04 0.00 0.00 177.00 178.90