#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1r s ILE 2 N 0.00 2.57 0.40 3.17 -4.36 -1.26 -4.78 121.20 116.94 3i1r s ILE 2 Ca 0.00 0.19 0.08 0.00 -0.26 0.00 0.00 60.65 60.65 3i1r s ILE 2 Cb 0.00 -2.45 -0.07 0.00 1.25 0.00 0.00 42.46 41.19 3i1r s ILE 2 CO 0.00 -0.24 0.03 -0.83 0.24 0.00 0.00 174.94 174.14 3i1r s GLY 3 N -3.03 2.40 0.41 6.27 0.00 -1.26 -4.59 107.32 107.51 3i1r s GLY 3 Ca 0.64 -2.21 0.08 0.00 0.00 0.00 0.00 44.72 43.23 3i1r s GLY 3 CO 0.58 -2.04 0.30 1.08 0.00 0.00 0.00 173.10 173.02 3i1r s LEU 4 N -3.74 3.30 -0.05 0.66 1.02 -0.38 -4.96 118.68 114.53 3i1r s LEU 4 Ca 0.36 -0.84 0.04 0.00 0.02 0.00 0.00 54.13 53.71 3i1r s LEU 4 Cb 0.07 -1.84 -0.02 0.00 0.02 0.00 0.00 46.19 44.41 3i1r s LEU 4 CO 0.19 -0.59 -0.18 -0.69 0.02 0.00 0.00 176.35 175.10 3i1r s VAL 5 N -2.50 2.72 0.20 -1.59 1.01 -1.26 -2.40 120.40 116.57 3i1r s VAL 5 Ca 0.45 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.60 3i1r s VAL 5 Cb -0.01 -2.04 -0.00 0.00 0.00 0.00 0.00 36.38 34.32 3i1r s VAL 5 CO 0.26 0.58 0.25 0.61 0.00 0.00 0.00 175.10 176.79 3i1r n GLY 6 N 2.57 2.82 3.27 4.51 0.00 0.17 -4.53 105.19 113.99 3i1r n GLY 6 Ca -0.17 -1.61 -0.30 0.00 0.00 0.00 0.00 46.02 43.93 3i1r n GLY 6 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i1r s LYS 7 N -2.57 2.26 -0.62 1.61 2.20 0.10 -0.05 119.74 122.67 3i1r s LYS 7 Ca 0.19 -0.87 -0.23 0.00 -0.36 0.00 0.00 55.97 54.69 3i1r s LYS 7 Cb -0.00 -2.02 0.06 0.00 -1.51 0.00 0.00 37.83 34.36 3i1r s LYS 7 CO 0.14 0.44 0.96 0.21 -0.36 0.00 0.00 175.35 176.73 3i1r s LYS 8 N -0.33 3.18 -0.11 4.03 2.20 -0.87 -0.63 119.74 127.21 3i1r s LYS 8 Ca 0.02 -0.63 -0.15 0.00 -0.36 0.00 0.00 55.97 54.85 3i1r s LYS 8 Cb -0.12 -4.16 -0.27 0.00 -1.51 0.00 0.00 37.83 31.77 3i1r s LYS 8 CO 0.02 -1.70 0.52 -0.39 -0.36 0.00 0.00 175.35 173.44 3i1r h VAL 9 N 5.99 0.98 -2.39 4.02 -1.51 -1.73 0.94 116.25 122.55 3i1r h VAL 9 Ca -0.28 -2.38 0.00 0.00 -1.23 0.00 0.00 66.70 62.81 3i1r h VAL 9 Cb 1.07 2.67 -0.00 0.00 -2.13 0.00 0.00 31.29 32.90 3i1r h VAL 9 CO 1.15 0.71 -0.09 0.61 -1.23 0.00 0.00 177.57 178.72 3i1r n GLY 10 N 1.75 -3.06 0.45 5.19 0.00 0.88 -4.81 105.19 105.59 3i1r n GLY 10 Ca -0.26 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.29 3i1r n GLY 10 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3i1r n MET 11 N 0.14 0.00 -3.78 1.61 0.00 -1.22 -4.71 117.12 109.16 3i1r n MET 11 Ca -0.01 0.15 -0.07 0.00 0.00 0.00 0.00 57.70 57.77 3i1r n MET 11 Cb 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 33.22 32.91 3i1r n MET 11 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 3i1r s THR 12 N 0.00 0.00 0.24 1.12 2.01 -0.02 -4.93 115.64 114.05 3i1r s THR 12 Ca 0.00 -0.81 0.08 0.00 0.31 0.00 0.00 61.69 61.28 3i1r s THR 12 Cb 0.00 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 3i1r s THR 12 CO 0.00 0.00 0.03 0.00 -0.69 0.00 0.00 174.62 173.96 3i1r s ARG 13 N -3.80 2.45 -0.07 4.92 1.70 -1.26 0.18 118.95 123.06 3i1r s ARG 13 Ca 0.10 -1.26 -0.01 0.00 -0.47 0.00 0.00 55.73 54.09 3i1r s ARG 13 Cb -0.05 -2.29 0.03 0.00 -0.57 0.00 0.00 34.95 32.07 3i1r s ARG 13 CO 0.04 0.40 -0.02 0.96 -1.08 0.00 0.00 175.30 175.59 3i1r s ILE 14 N -2.12 0.53 0.34 4.99 -4.36 0.17 -4.86 121.20 115.89 3i1r s ILE 14 Ca 0.31 -0.01 -0.17 0.00 -0.26 0.00 0.00 60.65 60.51 3i1r s ILE 14 Cb -0.07 -0.63 -0.09 0.00 1.25 0.00 0.00 42.46 42.91 3i1r s ILE 14 CO 0.20 0.27 0.78 -0.36 0.24 0.00 0.00 174.94 176.07 3i1r s PHE 15 N 1.65 3.38 -0.00 1.37 2.99 -1.26 -2.28 117.98 123.83 3i1r s PHE 15 Ca 0.01 1.31 0.01 0.00 0.00 0.00 0.00 56.93 58.26 3i1r s PHE 15 Cb -0.13 -2.61 -0.00 0.00 0.00 0.00 0.00 43.02 40.28 3i1r s PHE 15 CO -0.04 0.07 -0.03 -0.08 -0.00 0.00 0.00 175.22 175.14 3i1r s THR 16 N -1.99 0.20 0.00 0.64 -1.32 -1.02 -4.97 115.64 107.18 3i1r s THR 16 Ca 0.55 -0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.88 3i1r s THR 16 Cb -0.11 -0.18 0.00 0.00 -1.51 0.00 0.00 72.50 70.70 3i1r s THR 16 CO 0.17 0.03 0.00 -0.62 -2.21 0.00 0.00 174.62 171.99 3i1r n GLU 17 N 2.95 0.00 0.16 7.08 -0.58 -1.26 0.30 120.64 129.29 3i1r n GLU 17 Ca -0.13 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.71 3i1r n GLU 17 Cb 0.59 0.00 0.55 0.00 -0.57 0.00 0.00 31.44 32.01 3i1r n GLU 17 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3i1r n ASP 18 N -1.73 0.52 -1.04 1.62 5.68 -1.26 -4.82 116.55 115.52 3i1r n ASP 18 Ca 0.00 0.74 0.00 0.00 -0.50 0.00 0.00 54.79 55.03 3i1r n ASP 18 Cb 0.00 -0.80 0.00 0.00 -1.14 0.00 0.00 41.12 39.18 3i1r n ASP 18 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i1r n GLY 19 N -1.30 0.53 3.19 6.12 0.00 0.89 -5.09 105.19 109.53 3i1r n GLY 19 Ca -0.01 -0.43 -0.15 0.00 0.00 0.00 0.00 46.02 45.43 3i1r n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1r s VAL 20 N -2.91 1.02 -0.44 1.61 1.01 -1.18 -4.95 120.40 114.55 3i1r s VAL 20 Ca 0.00 -1.68 -0.01 0.00 0.00 0.00 0.00 61.98 60.30 3i1r s VAL 20 Cb 0.00 -1.42 0.12 0.00 0.00 0.00 0.00 36.38 35.08 3i1r s VAL 20 CO 0.00 -0.55 0.21 -0.55 0.00 0.00 0.00 175.10 174.21 3i1r s SER 21 N -2.49 5.04 -0.34 3.32 0.15 -1.26 -2.45 113.70 115.67 3i1r s SER 21 Ca 0.07 -2.30 -0.29 0.00 0.70 0.00 0.00 55.95 54.13 3i1r s SER 21 Cb -0.03 -1.77 0.02 0.00 -1.71 0.00 0.00 66.02 62.53 3i1r s SER 21 CO 0.00 -0.44 1.06 -0.63 1.20 0.00 0.00 173.24 174.43 3i1r s ILE 22 N 0.73 4.50 -0.09 6.45 1.01 -0.96 -4.89 121.20 127.95 3i1r s ILE 22 Ca 0.11 1.63 -0.30 0.00 0.00 0.00 0.00 60.65 62.09 3i1r s ILE 22 Cb -0.22 -4.42 -0.03 0.00 0.01 0.00 0.00 42.46 37.81 3i1r s ILE 22 CO -0.05 -0.52 1.18 -2.84 0.00 0.00 0.00 174.94 172.71 3i1r s PRO 23 N 3.69 4.34 0.10 2.79 0.02 -1.26 0.41 135.00 145.08 3i1r s PRO 23 Ca 0.45 1.63 0.09 0.00 0.02 0.00 0.00 61.00 63.19 3i1r s PRO 23 Cb -0.12 -3.59 -0.04 0.00 0.02 0.00 0.00 34.50 30.77 3i1r s PRO 23 CO 0.17 -0.48 -0.24 0.14 -0.33 0.00 0.00 177.00 176.25 3i1r s VAL 24 N 2.44 2.00 -0.23 3.83 -7.23 0.48 -1.96 120.40 119.73 3i1r s VAL 24 Ca 0.54 -1.58 -0.11 0.00 -1.81 0.00 0.00 61.98 59.01 3i1r s VAL 24 Cb -0.23 -1.77 -0.05 0.00 0.56 0.00 0.00 36.38 34.89 3i1r s VAL 24 CO 0.20 0.09 0.20 -0.89 -0.31 0.00 0.00 175.10 174.39 3i1r s THR 25 N -1.03 5.33 -0.25 5.32 2.01 -0.47 -0.84 115.64 125.70 3i1r s THR 25 Ca 0.11 0.28 -0.29 0.00 0.31 0.00 0.00 61.69 62.09 3i1r s THR 25 Cb -0.10 -3.54 0.01 0.00 0.01 0.00 0.00 72.50 68.88 3i1r s THR 25 CO 0.04 0.33 1.14 -0.69 -0.69 0.00 0.00 174.62 174.76 3i1r s VAL 26 N 1.07 4.45 -0.19 3.82 1.01 -1.26 -3.24 120.40 126.07 3i1r s VAL 26 Ca 0.10 1.72 -0.01 0.00 0.00 0.00 0.00 61.98 63.78 3i1r s VAL 26 Cb -0.14 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.00 3i1r s VAL 26 CO 0.05 -0.31 -0.13 -0.63 0.00 0.00 0.00 175.10 174.08 3i1r s ILE 27 N 3.59 2.70 -0.06 2.22 1.01 -0.27 -0.08 121.20 130.31 3i1r s ILE 27 Ca 0.49 -0.73 -0.20 0.00 0.00 0.00 0.00 60.65 60.21 3i1r s ILE 27 Cb -0.16 -2.18 -0.05 0.00 0.01 0.00 0.00 42.46 40.09 3i1r s ILE 27 CO 0.13 0.49 0.56 -0.70 0.00 0.00 0.00 174.94 175.43 3i1r s GLU 28 N 1.24 4.33 -0.41 2.79 2.12 0.20 -2.24 118.70 126.73 3i1r s GLU 28 Ca 0.03 0.64 0.03 0.00 0.36 0.00 0.00 54.97 56.03 3i1r s GLU 28 Cb -0.14 -3.39 0.16 0.00 0.26 0.00 0.00 34.13 31.02 3i1r s GLU 28 CO -0.06 0.25 0.31 0.08 -0.54 0.00 0.00 175.26 175.30 3i1r s VAL 29 N 0.24 0.41 0.73 3.70 1.01 0.00 -0.72 120.40 125.77 3i1r s VAL 29 Ca 0.30 -2.50 -0.11 0.00 0.00 0.00 0.00 61.98 59.66 3i1r s VAL 29 Cb -0.17 -1.30 0.03 0.00 0.00 0.00 0.00 36.38 34.94 3i1r s VAL 29 CO 0.15 -1.17 1.08 -1.61 0.00 0.00 0.00 175.10 173.55 3i1r s GLU 30 N 0.23 2.58 0.13 2.72 2.02 -1.26 -4.45 118.70 120.67 3i1r s GLU 30 Ca 0.29 1.14 -0.35 0.00 0.02 0.00 0.00 54.97 56.07 3i1r s GLU 30 Cb -0.03 -1.94 -0.16 0.00 0.10 0.00 0.00 34.13 32.10 3i1r s GLU 30 CO -0.15 -1.39 1.25 0.00 0.02 0.00 0.00 175.26 175.00 3i1r n ALA 31 N -3.18 -0.83 -2.35 5.21 0.00 -1.26 -4.87 120.51 113.23 3i1r n ALA 31 Ca 0.09 0.49 -0.39 0.00 0.00 0.00 0.00 53.44 53.63 3i1r n ALA 31 Cb 0.53 -2.06 -0.06 0.00 0.00 0.00 0.00 19.45 17.87 3i1r n ALA 31 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3i1r s ASN 32 N 0.24 7.04 -0.16 0.00 0.01 -0.19 -4.56 114.94 117.32 3i1r s ASN 32 Ca 0.79 1.24 -0.03 0.00 -0.71 0.00 0.00 52.86 54.14 3i1r s ASN 32 Cb -0.90 -2.37 -0.02 0.00 0.41 0.00 0.00 41.25 38.37 3i1r s ASN 32 CO 0.49 0.20 -0.06 -0.13 -1.51 0.00 0.00 177.10 176.10 3i1r s ARG 33 N -0.74 3.56 0.21 -0.60 0.52 0.37 -1.33 118.95 120.95 3i1r s ARG 33 Ca 0.30 -0.57 -0.30 0.00 -0.52 0.00 0.00 55.73 54.64 3i1r s ARG 33 Cb -0.19 -2.87 -0.09 0.00 0.52 0.00 0.00 34.95 32.32 3i1r s ARG 33 CO 0.19 0.16 1.26 0.14 0.02 0.00 0.00 175.30 177.07 3i1r s VAL 34 N 0.57 3.30 -0.14 3.52 -7.23 -1.26 -0.39 120.40 118.76 3i1r s VAL 34 Ca -0.04 1.10 0.01 0.00 -1.81 0.00 0.00 61.98 61.24 3i1r s VAL 34 Cb -0.15 -3.70 0.01 0.00 0.56 0.00 0.00 36.38 33.10 3i1r s VAL 34 CO 0.03 0.18 0.43 0.35 -0.31 0.00 0.00 175.10 175.78 3i1r n THR 35 N 2.40 0.00 -3.59 5.32 -2.24 0.26 -3.86 114.28 112.56 3i1r n THR 35 Ca 0.05 -0.49 -0.06 0.00 -2.27 0.00 0.00 64.05 61.27 3i1r n THR 35 Cb 0.43 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.67 3i1r n THR 35 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3i1r s GLN 36 N -0.34 0.92 -0.04 -0.78 0.74 -1.18 -4.90 119.66 114.08 3i1r s GLN 36 Ca 0.01 -0.41 -0.02 0.00 0.05 0.00 0.00 55.36 54.99 3i1r s GLN 36 Cb 0.01 0.38 0.02 0.00 1.10 0.00 0.00 33.01 34.52 3i1r s GLN 36 CO 0.02 -0.41 0.10 0.08 -0.55 0.00 0.00 175.29 174.53 3i1r s VAL 37 N -3.14 -0.03 -0.00 1.34 1.01 -1.26 -3.33 120.40 114.99 3i1r s VAL 37 Ca 0.08 0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.23 3i1r s VAL 37 Cb -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 36.38 36.20 3i1r s VAL 37 CO -0.05 0.04 -0.20 -1.59 0.00 0.00 0.00 175.10 173.31 3i1r s LYS 38 N 0.66 1.53 0.07 2.72 -2.85 -0.75 -5.02 119.74 116.10 3i1r s LYS 38 Ca -0.05 -0.74 0.02 0.00 -1.00 0.00 0.00 55.97 54.20 3i1r s LYS 38 Cb -0.07 -1.51 -0.03 0.00 -2.06 0.00 0.00 37.83 34.16 3i1r s LYS 38 CO -0.03 0.41 -0.07 0.34 0.10 0.00 0.00 175.35 176.10 3i1r s ASP 39 N -0.59 1.05 0.28 0.03 2.15 -1.23 -2.27 116.67 116.08 3i1r s ASP 39 Ca 0.07 -0.81 0.03 0.00 0.43 0.00 0.00 52.55 52.28 3i1r s ASP 39 Cb -0.08 0.06 0.71 0.00 -0.30 0.00 0.00 42.92 43.32 3i1r s ASP 39 CO -0.00 -0.34 1.38 0.18 -0.17 0.00 0.00 175.17 176.22 3i1r n LEU 40 N 0.62 -0.07 0.00 -1.34 4.32 -1.01 -0.13 117.00 119.38 3i1r n LEU 40 Ca -0.17 1.50 0.00 0.00 -0.02 0.00 0.00 56.01 57.32 3i1r n LEU 40 Cb 0.58 -0.56 0.00 0.00 -1.62 0.00 0.00 43.42 41.82 3i1r n LEU 40 CO 0.26 -1.53 0.37 0.00 -1.22 0.00 0.00 177.39 175.27 3i1r n ALA 41 N -3.16 -0.02 -0.96 -1.18 0.00 -1.26 -1.14 120.51 112.79 3i1r n ALA 41 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.33 3i1r n ALA 41 Cb 0.71 0.34 -0.03 0.00 0.00 0.00 0.00 19.45 20.46 3i1r n ALA 41 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i1r n ASN 42 N -1.90 3.79 -0.45 0.00 5.15 0.81 -4.79 115.26 117.87 3i1r n ASN 42 Ca 0.00 -2.50 0.00 0.00 -0.60 0.00 0.00 54.58 51.48 3i1r n ASN 42 Cb 0.00 -1.12 0.00 0.00 -0.53 0.00 0.00 39.78 38.13 3i1r n ASN 42 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3i1r n ASP 43 N 5.76 0.00 0.00 1.20 9.92 -0.29 -4.44 116.55 128.69 3i1r n ASP 43 Ca 0.47 0.08 0.00 0.00 -0.53 0.00 0.00 54.79 54.81 3i1r n ASP 43 Cb 0.26 -0.61 0.00 0.00 -0.64 0.00 0.00 41.12 40.13 3i1r n ASP 43 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3i1r n GLY 44 N -0.28 0.25 0.93 0.44 0.00 -1.25 -4.61 105.19 100.67 3i1r n GLY 44 Ca 0.00 -1.30 -0.08 0.00 0.00 0.00 0.00 46.02 44.63 3i1r n GLY 44 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3i1r n TYR 45 N 0.00 0.25 -5.14 1.61 4.11 -1.26 -4.41 117.16 112.32 3i1r n TYR 45 Ca 0.00 -0.64 -0.30 0.00 -0.00 0.00 0.00 57.90 56.96 3i1r n TYR 45 Cb 0.00 -0.09 -0.16 0.00 -0.00 0.00 0.00 39.34 39.09 3i1r n TYR 45 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.86 175.88 3i1r s ARG 46 N -2.47 2.28 -0.05 -3.48 1.70 -1.26 -2.40 118.95 113.27 3i1r s ARG 46 Ca 0.00 -0.82 -0.30 0.00 -0.47 0.00 0.00 55.73 54.14 3i1r s ARG 46 Cb -0.00 -1.96 0.11 0.00 -0.57 0.00 0.00 34.95 32.53 3i1r s ARG 46 CO 0.00 0.36 0.99 0.00 -1.08 0.00 0.00 175.30 175.56 3i1r s ALA 47 N -0.15 -1.89 0.16 7.88 0.00 -0.96 -1.94 121.76 124.86 3i1r s ALA 47 Ca -0.02 1.14 0.08 0.00 0.00 0.00 0.00 51.96 53.15 3i1r s ALA 47 Cb -0.13 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 3i1r s ALA 47 CO 0.03 -0.68 -0.06 0.96 0.00 0.00 0.00 175.76 176.00 3i1r s ILE 48 N -2.92 3.42 -0.07 0.00 -4.36 -0.07 -1.82 121.20 115.38 3i1r s ILE 48 Ca 0.07 -1.48 0.03 0.00 -0.26 0.00 0.00 60.65 59.01 3i1r s ILE 48 Cb -0.01 -2.68 0.00 0.00 1.25 0.00 0.00 42.46 41.02 3i1r s ILE 48 CO -0.07 -0.06 -0.17 -1.58 0.24 0.00 0.00 174.94 173.30 3i1r s GLN 49 N -2.72 2.14 0.31 0.37 0.74 -1.21 0.74 119.66 120.03 3i1r s GLN 49 Ca 0.25 -0.62 0.03 0.00 0.05 0.00 0.00 55.36 55.07 3i1r s GLN 49 Cb -0.09 -1.73 -0.05 0.00 1.10 0.00 0.00 33.01 32.23 3i1r s GLN 49 CO 0.16 0.14 0.09 0.14 -0.55 0.00 0.00 175.29 175.27 3i1r s VAL 50 N 0.38 0.78 0.16 1.34 -7.23 -0.48 0.90 120.40 116.24 3i1r s VAL 50 Ca -0.13 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.08 3i1r s VAL 50 Cb -0.15 -2.65 -0.05 0.00 0.56 0.00 0.00 36.38 34.09 3i1r s VAL 50 CO 0.05 0.00 -0.07 0.28 -0.31 0.00 0.00 175.10 175.04 3i1r s THR 51 N -3.51 1.10 0.00 5.32 -1.32 0.47 -2.31 115.64 115.40 3i1r s THR 51 Ca 0.36 -2.05 0.00 0.00 -1.21 0.00 0.00 61.69 58.79 3i1r s THR 51 Cb 0.07 -1.96 0.00 0.00 -1.51 0.00 0.00 72.50 69.10 3i1r s THR 51 CO 0.15 -0.65 0.00 1.07 -2.21 0.00 0.00 174.62 172.98 3i1r n THR 52 N -0.24 0.00 0.00 5.08 5.66 -1.26 0.14 114.28 123.66 3i1r n THR 52 Ca -0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 3i1r n THR 52 Cb 0.61 -0.38 0.00 0.00 -1.55 0.00 0.00 70.33 69.02 3i1r n THR 52 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3i1r n GLY 53 N 1.50 -0.78 0.00 1.09 0.00 -1.26 -4.82 105.19 100.92 3i1r n GLY 53 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3i1r n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1r n ALA 54 N -3.00 0.00 -2.50 4.61 0.00 -1.23 -4.54 120.51 113.85 3i1r n ALA 54 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 3i1r n ALA 54 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 3i1r n ALA 54 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3i1r s LYS 55 N 0.00 1.81 0.12 0.00 2.20 0.51 -4.44 119.74 119.93 3i1r s LYS 55 Ca 0.00 -1.28 -0.31 0.00 -0.36 0.00 0.00 55.97 54.02 3i1r s LYS 55 Cb 0.00 -2.07 -0.10 0.00 -1.51 0.00 0.00 37.83 34.15 3i1r s LYS 55 CO 0.00 0.45 1.70 0.15 -0.36 0.00 0.00 175.35 177.29 3i1r s LYS 56 N -2.45 4.17 0.22 4.03 1.02 -1.26 -4.87 119.74 120.61 3i1r s LYS 56 Ca 0.20 2.45 -0.14 0.00 0.02 0.00 0.00 55.97 58.51 3i1r s LYS 56 Cb -0.09 -3.47 0.26 0.00 -0.52 0.00 0.00 37.83 34.01 3i1r s LYS 56 CO 0.11 -0.75 1.60 0.00 -0.92 0.00 0.00 175.35 175.40 3i1r h ALA 57 N 8.00 0.38 0.00 5.17 0.00 -1.97 0.14 119.26 130.98 3i1r h ALA 57 Ca -0.44 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3i1r h ALA 57 Cb 1.21 0.60 0.00 0.00 0.00 0.00 0.00 17.79 19.60 3i1r h ALA 57 CO 0.94 -0.46 0.00 0.27 0.00 0.00 0.00 179.25 179.99 3i1r n ASN 58 N -5.47 0.00 -0.03 0.00 0.23 -1.26 -1.41 115.26 107.31 3i1r n ASN 58 Ca 0.09 0.17 0.03 0.00 -0.53 0.00 0.00 54.58 54.34 3i1r n ASN 58 Cb 0.37 -0.26 -0.03 0.00 -2.08 0.00 0.00 39.78 37.78 3i1r n ASN 58 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3i1r n ARG 59 N -1.26 4.29 -2.67 -3.83 5.12 0.45 -4.96 116.66 113.81 3i1r n ARG 59 Ca 0.03 -0.10 -0.42 0.00 -1.93 0.00 0.00 57.85 55.43 3i1r n ARG 59 Cb 0.05 -0.85 -0.03 0.00 -1.16 0.00 0.00 32.46 30.47 3i1r n ARG 59 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3i1r s VAL 60 N -1.53 4.74 0.14 1.55 0.11 -0.50 -4.98 120.40 119.94 3i1r s VAL 60 Ca 0.03 1.98 -0.05 0.00 -2.93 0.00 0.00 61.98 61.00 3i1r s VAL 60 Cb 0.05 -4.27 -0.06 0.00 -1.53 0.00 0.00 36.38 30.58 3i1r s VAL 60 CO 0.26 0.13 0.39 0.42 -3.33 0.00 0.00 175.10 172.96 3i1r s THR 61 N 1.20 5.15 0.26 5.04 -4.23 -1.26 -4.84 115.64 116.96 3i1r s THR 61 Ca 0.52 0.10 -0.06 0.00 -1.18 0.00 0.00 61.69 61.07 3i1r s THR 61 Cb -0.22 -3.62 0.41 0.00 1.34 0.00 0.00 72.50 70.41 3i1r s THR 61 CO 0.26 0.05 1.40 0.29 -0.54 0.00 0.00 174.62 176.09 3i1r n LYS 62 N 0.15 -0.08 0.08 3.99 4.76 -1.26 0.73 118.16 126.52 3i1r n LYS 62 Ca -0.03 1.39 -0.11 0.00 -2.87 0.00 0.00 58.31 56.70 3i1r n LYS 62 Cb 0.52 -2.10 -0.07 0.00 -1.84 0.00 0.00 35.03 31.54 3i1r n LYS 62 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 3i1r h PRO 63 N 0.00 -0.27 -0.92 1.97 0.11 -1.99 -2.10 132.00 128.80 3i1r h PRO 63 Ca 0.45 0.02 0.09 0.00 0.11 0.00 0.00 66.00 66.66 3i1r h PRO 63 Cb 0.72 0.06 -0.11 0.00 0.11 0.00 0.00 31.00 31.77 3i1r h PRO 63 CO -0.91 0.12 -0.52 0.39 -0.21 0.00 0.00 178.00 176.86 3i1r n GLU 64 N -4.97 -0.38 -0.26 1.05 1.02 -0.63 -1.00 120.64 115.47 3i1r n GLU 64 Ca -0.08 1.39 -0.03 0.00 -0.02 0.00 0.00 57.16 58.43 3i1r n GLU 64 Cb 0.26 -2.05 0.03 0.00 -0.02 0.00 0.00 31.44 29.66 3i1r n GLU 64 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i1r h ALA 65 N 0.55 0.12 0.00 0.62 0.00 0.39 0.35 119.26 121.29 3i1r h ALA 65 Ca 0.17 0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 3i1r h ALA 65 Cb 0.40 0.79 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3i1r h ALA 65 CO -0.87 -0.61 -0.15 0.78 0.00 0.00 0.00 179.25 178.40 3i1r h GLY 66 N -0.09 0.00 0.66 0.00 0.00 -0.35 0.85 103.07 104.14 3i1r h GLY 66 Ca 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.59 3i1r h GLY 66 CO -0.78 0.00 -0.32 0.84 0.00 0.00 0.00 176.54 176.29 3i1r h HIS 67 N 0.00 -0.82 0.04 5.60 6.17 0.11 -2.90 115.15 123.35 3i1r h HIS 67 Ca -0.00 -0.02 0.03 0.00 0.71 0.00 0.00 60.37 61.08 3i1r h HIS 67 Cb 0.27 0.27 -0.05 0.00 2.52 0.00 0.00 27.41 30.42 3i1r h HIS 67 CO 0.00 -0.51 -0.45 0.74 0.71 0.00 0.00 177.93 178.42 3i1r h PHE 68 N -0.89 -1.28 -0.56 5.26 -1.00 -0.72 -1.64 116.94 116.11 3i1r h PHE 68 Ca -0.09 0.04 0.15 0.00 2.81 0.00 0.00 57.97 60.88 3i1r h PHE 68 Cb 0.68 0.56 -0.10 0.00 3.61 0.00 0.00 35.95 40.69 3i1r h PHE 68 CO 0.08 -0.53 -0.01 0.00 -1.61 0.00 0.00 178.31 176.24 3i1r n ALA 69 N -2.89 0.26 -2.40 2.45 0.00 0.23 -3.37 120.51 114.80 3i1r n ALA 69 Ca -0.07 0.60 -0.43 0.00 0.00 0.00 0.00 53.44 53.55 3i1r n ALA 69 Cb 0.38 -0.43 -0.02 0.00 0.00 0.00 0.00 19.45 19.38 3i1r n ALA 69 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3i1r s LYS 70 N -5.46 3.59 0.00 0.00 2.20 -0.62 -4.58 119.74 114.87 3i1r s LYS 70 Ca -0.07 0.83 0.00 0.00 -0.36 0.00 0.00 55.97 56.37 3i1r s LYS 70 Cb 0.16 -4.01 0.00 0.00 -1.51 0.00 0.00 37.83 32.47 3i1r s LYS 70 CO 0.44 -1.55 0.00 0.00 -0.36 0.00 0.00 175.35 173.87 3i1r n ALA 71 N 8.68 -0.01 -1.51 3.13 0.00 -1.22 -4.87 120.51 124.72 3i1r n ALA 71 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.17 3i1r n ALA 71 Cb 0.48 -0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.85 3i1r n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1r n GLY 72 N 0.92 0.22 0.00 0.00 0.00 -1.26 -4.89 105.19 100.17 3i1r n GLY 72 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 46.02 46.88 3i1r n GLY 72 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i1r n VAL 73 N 7.61 0.00 -3.41 1.61 0.24 -1.23 -4.88 118.33 118.26 3i1r n VAL 73 Ca 0.44 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.53 3i1r n VAL 73 Cb 0.33 -0.33 0.06 0.00 -1.47 0.00 0.00 33.84 32.43 3i1r n VAL 73 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3i1r n GLU 74 N 0.00 -1.89 -1.70 7.34 2.13 -1.26 -4.77 120.64 120.50 3i1r n GLU 74 Ca 0.00 0.71 -0.57 0.00 0.66 0.00 0.00 57.16 57.96 3i1r n GLU 74 Cb 0.00 -5.19 -0.07 0.00 0.27 0.00 0.00 31.44 26.45 3i1r n GLU 74 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i1r n ALA 75 N -3.60 -0.32 -2.74 4.31 0.00 -1.26 -4.74 120.51 112.16 3i1r n ALA 75 Ca -0.08 0.41 -0.23 0.00 0.00 0.00 0.00 53.44 53.54 3i1r n ALA 75 Cb 0.61 -2.20 -0.06 0.00 0.00 0.00 0.00 19.45 17.80 3i1r n ALA 75 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i1r s GLY 76 N 3.12 1.54 0.01 0.00 0.00 -1.26 -0.36 107.32 110.37 3i1r s GLY 76 Ca 0.97 -1.49 -0.02 0.00 0.00 0.00 0.00 44.72 44.18 3i1r s GLY 76 CO 0.63 -1.54 0.12 -2.13 0.00 0.00 0.00 173.10 170.18 3i1r n ARG 77 N -0.94 -0.02 -0.49 2.90 0.63 -1.26 -4.57 116.66 112.90 3i1r n ARG 77 Ca -0.07 0.11 0.00 0.00 -0.92 0.00 0.00 57.85 56.97 3i1r n ARG 77 Cb 0.58 -0.17 0.00 0.00 0.45 0.00 0.00 32.46 33.32 3i1r n ARG 77 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i1r n GLY 78 N -1.03 1.87 3.05 5.14 0.00 -1.26 -4.97 105.19 108.00 3i1r n GLY 78 Ca 0.00 -0.78 -0.15 0.00 0.00 0.00 0.00 46.02 45.10 3i1r n GLY 78 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i1r s LEU 79 N 0.00 2.19 -0.03 0.99 1.02 -1.26 -4.34 118.68 117.25 3i1r s LEU 79 Ca 0.00 -0.44 -0.02 0.00 0.02 0.00 0.00 54.13 53.69 3i1r s LEU 79 Cb 0.00 -0.26 0.02 0.00 0.02 0.00 0.00 46.19 45.97 3i1r s LEU 79 CO 0.00 -0.11 0.07 0.26 0.02 0.00 0.00 176.35 176.59 3i1r s TRP 80 N -1.03 -0.06 0.28 0.29 0.51 -0.98 -4.97 118.94 112.98 3i1r s TRP 80 Ca -0.06 0.21 0.01 0.00 -2.12 0.00 0.00 56.10 54.14 3i1r s TRP 80 Cb -0.08 -0.04 -0.04 0.00 -0.81 0.00 0.00 33.47 32.50 3i1r s TRP 80 CO 0.00 -0.06 0.47 -1.21 -0.51 0.00 0.00 176.95 175.64 3i1r s GLU 81 N 0.41 3.49 -0.09 4.98 2.02 -1.26 -1.39 118.70 126.87 3i1r s GLU 81 Ca -0.03 -0.42 -0.04 0.00 0.02 0.00 0.00 54.97 54.50 3i1r s GLU 81 Cb -0.05 -2.76 0.04 0.00 0.10 0.00 0.00 34.13 31.47 3i1r s GLU 81 CO -0.01 0.28 0.20 -0.06 0.02 0.00 0.00 175.26 175.68 3i1r s PHE 82 N -2.12 -0.25 0.32 1.61 0.08 0.23 -4.95 117.98 112.90 3i1r s PHE 82 Ca 0.38 0.64 -0.27 0.00 0.12 0.00 0.00 56.93 57.79 3i1r s PHE 82 Cb -0.10 -0.01 -0.09 0.00 -0.57 0.00 0.00 43.02 42.24 3i1r s PHE 82 CO 0.32 -0.20 1.07 1.03 -0.10 0.00 0.00 175.22 177.35 3i1r s ARG 83 N 1.19 4.48 0.45 0.44 1.81 -1.26 -0.89 118.95 125.16 3i1r s ARG 83 Ca -0.09 1.68 0.08 0.00 -1.72 0.00 0.00 55.73 55.68 3i1r s ARG 83 Cb -0.11 -2.96 0.01 0.00 -0.45 0.00 0.00 34.95 31.45 3i1r s ARG 83 CO -0.07 0.10 0.51 -0.51 -0.68 0.00 0.00 175.30 174.65 3i1r s LEU 84 N -1.87 3.42 -0.45 2.53 1.43 -0.82 -4.40 118.68 118.52 3i1r s LEU 84 Ca 0.49 -0.66 0.07 0.00 -1.03 0.00 0.00 54.13 53.00 3i1r s LEU 84 Cb -0.28 -2.19 0.26 0.00 0.03 0.00 0.00 46.19 44.02 3i1r s LEU 84 CO 0.36 -0.81 0.81 0.00 0.23 0.00 0.00 176.35 176.93 3i1r n ALA 85 N -1.77 0.01 -0.94 4.21 0.00 -1.26 -4.81 120.51 115.95 3i1r n ALA 85 Ca 0.07 -2.12 0.00 0.00 0.00 0.00 0.00 53.44 51.38 3i1r n ALA 85 Cb 0.61 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.92 3i1r n ALA 85 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i1r n GLU 86 N 1.27 0.00 -4.42 0.00 -0.58 -1.26 -5.10 120.64 110.55 3i1r n GLU 86 Ca 0.13 0.04 -0.20 0.00 -0.42 0.00 0.00 57.16 56.71 3i1r n GLU 86 Cb 0.62 -1.83 -0.14 0.00 -0.57 0.00 0.00 31.44 29.52 3i1r n GLU 86 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3i1r s GLY 87 N -2.51 0.69 0.51 0.62 0.00 -1.26 -5.16 107.32 100.21 3i1r s GLY 87 Ca 0.00 -0.69 0.09 0.00 0.00 0.00 0.00 44.72 44.12 3i1r s GLY 87 CO 0.00 -0.64 0.70 -0.54 0.00 0.00 0.00 173.10 172.62 3i1r s GLU 88 N -0.78 2.53 -0.29 2.90 0.41 -1.26 -4.97 118.70 117.24 3i1r s GLU 88 Ca 0.02 -1.46 -0.21 0.00 -0.41 0.00 0.00 54.97 52.92 3i1r s GLU 88 Cb -0.06 -2.69 0.16 0.00 -1.78 0.00 0.00 34.13 29.76 3i1r s GLU 88 CO 0.00 -0.61 1.18 -2.00 -0.49 0.00 0.00 175.26 173.34 3i1r s GLU 89 N -4.54 0.26 -0.18 1.61 2.56 -1.26 -5.14 118.70 112.00 3i1r s GLU 89 Ca 0.59 0.37 -0.10 0.00 0.00 0.00 0.00 54.97 55.82 3i1r s GLU 89 Cb -0.08 0.09 -0.05 0.00 2.00 0.00 0.00 34.13 36.10 3i1r s GLU 89 CO 0.36 -0.04 0.16 -0.59 -0.56 0.00 0.00 175.26 174.60 3i1r s PHE 90 N 0.63 3.44 -1.03 5.30 -0.71 -1.26 -4.91 117.98 119.43 3i1r s PHE 90 Ca -0.01 0.40 0.00 0.00 -1.04 0.00 0.00 56.93 56.28 3i1r s PHE 90 Cb -0.04 -2.17 0.00 0.00 -1.21 0.00 0.00 43.02 39.60 3i1r s PHE 90 CO -0.12 0.33 0.94 -2.37 -1.34 0.00 0.00 175.22 172.67 3i1r n THR 91 N 3.35 1.77 0.00 -4.49 5.66 -1.26 -3.08 114.28 116.22 3i1r n THR 91 Ca -0.16 0.46 0.00 0.00 -3.05 0.00 0.00 64.05 61.30 3i1r n THR 91 Cb 0.52 -1.46 0.00 0.00 -1.55 0.00 0.00 70.33 67.84 3i1r n THR 91 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 3i1r n VAL 92 N -1.44 0.00 -3.70 1.08 0.31 -1.26 -4.18 118.33 109.13 3i1r n VAL 92 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.11 3i1r n VAL 92 Cb 0.02 -0.77 -0.03 0.00 -0.91 0.00 0.00 33.84 32.15 3i1r n VAL 92 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i1r n GLY 93 N 2.12 -0.23 0.58 2.92 0.00 -1.25 -4.63 105.19 104.70 3i1r n GLY 93 Ca 0.00 0.14 0.45 0.00 0.00 0.00 0.00 46.02 46.61 3i1r n GLY 93 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3i1r h GLN 94 N -0.42 0.02 -4.07 1.61 4.15 -1.70 -3.42 115.11 111.27 3i1r h GLN 94 Ca -0.39 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.03 3i1r h GLN 94 Cb 0.80 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.48 3i1r h GLN 94 CO 0.36 0.01 -0.21 0.43 -1.93 0.00 0.00 178.83 177.49 3i1r n SER 95 N -4.34 -4.79 -4.68 -0.69 7.64 -1.25 -4.99 113.62 100.51 3i1r n SER 95 Ca 0.41 0.23 -0.41 0.00 1.01 0.00 0.00 58.87 60.10 3i1r n SER 95 Cb 1.71 -3.06 -0.04 0.00 -1.01 0.00 0.00 64.21 61.81 3i1r n SER 95 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3i1r s ILE 96 N -1.88 4.93 0.00 0.44 1.01 -0.44 -4.89 121.20 120.37 3i1r s ILE 96 Ca 0.11 1.59 0.00 0.00 0.00 0.00 0.00 60.65 62.35 3i1r s ILE 96 Cb -0.03 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.33 3i1r s ILE 96 CO 0.36 0.10 0.00 -0.24 0.00 0.00 0.00 174.94 175.16 3i1r n SER 97 N 4.77 0.00 0.19 3.58 2.88 -1.26 -1.02 113.62 122.76 3i1r n SER 97 Ca 0.03 -0.75 0.08 0.00 -1.33 0.00 0.00 58.87 56.90 3i1r n SER 97 Cb 0.50 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 64.17 3i1r n SER 97 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 3i1r h VAL 98 N -0.27 0.43 0.00 2.46 2.07 -1.90 -3.22 116.25 115.83 3i1r h VAL 98 Ca 0.00 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.07 3i1r h VAL 98 Cb 0.00 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 3i1r h VAL 98 CO 0.00 0.23 0.00 -1.84 0.02 0.00 0.00 177.57 175.98 3i1r n GLU 99 N -3.20 0.00 -0.06 1.57 0.28 -1.26 -1.67 120.64 116.30 3i1r n GLU 99 Ca 0.02 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 57.02 3i1r n GLU 99 Cb 0.57 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.44 3i1r n GLU 99 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 3i1r n LEU 100 N -0.29 -0.11 -0.27 -1.84 7.94 -1.22 0.16 117.00 121.37 3i1r n LEU 100 Ca 0.00 0.26 0.13 0.00 -1.11 0.00 0.00 56.01 55.28 3i1r n LEU 100 Cb 0.00 -0.05 0.61 0.00 0.53 0.00 0.00 43.42 44.50 3i1r n LEU 100 CO 0.00 -0.22 0.91 0.49 -1.11 0.00 0.00 177.39 177.45 3i1r n PHE 101 N -4.21 0.05 -0.28 1.96 3.01 -0.67 -4.36 117.46 112.97 3i1r n PHE 101 Ca 0.01 -0.03 -0.01 0.00 1.01 0.00 0.00 57.45 58.44 3i1r n PHE 101 Cb 0.05 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.58 3i1r n PHE 101 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i1r h ALA 102 N 4.02 0.25 -3.00 4.37 0.00 -0.41 -3.00 119.26 121.49 3i1r h ALA 102 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3i1r h ALA 102 Cb 0.26 0.77 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3i1r h ALA 102 CO 0.00 -0.55 0.00 -3.47 0.00 0.00 0.00 179.25 175.23 3i1r n ASP 103 N -5.49 0.00 -0.38 0.00 2.03 -1.26 -4.94 116.55 106.50 3i1r n ASP 103 Ca 0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.40 3i1r n ASP 103 Cb 0.39 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.79 3i1r n ASP 103 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3i1r n VAL 104 N 0.00 -0.01 0.88 5.18 0.31 -1.13 -4.86 118.33 118.69 3i1r n VAL 104 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.44 3i1r n VAL 104 Cb 0.00 -0.29 0.08 0.00 -0.91 0.00 0.00 33.84 32.72 3i1r n VAL 104 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3i1r n LYS 105 N 1.58 0.08 0.00 5.55 3.00 -1.26 -4.70 118.16 122.41 3i1r n LYS 105 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3i1r n LYS 105 Cb 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 35.03 33.50 3i1r n LYS 105 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3i1r n LYS 106 N -1.63 0.00 -0.41 1.64 4.01 -1.26 -3.12 118.16 117.38 3i1r n LYS 106 Ca 0.04 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.84 3i1r n LYS 106 Cb 0.36 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.88 3i1r n LYS 106 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 3i1r n VAL 107 N 0.00 -2.19 -0.06 -0.18 0.31 -1.26 -4.03 118.33 110.92 3i1r n VAL 107 Ca 0.00 0.54 -0.08 0.00 -0.01 0.00 0.00 64.34 64.78 3i1r n VAL 107 Cb 0.00 -1.62 -0.07 0.00 -0.91 0.00 0.00 33.84 31.25 3i1r n VAL 107 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3i1r n ASP 108 N -0.23 2.87 -2.68 4.52 10.43 0.44 -4.13 116.55 127.77 3i1r n ASP 108 Ca 0.00 -0.06 -0.05 0.00 2.57 0.00 0.00 54.79 57.25 3i1r n ASP 108 Cb 0.00 -0.03 -0.04 0.00 1.84 0.00 0.00 41.12 42.89 3i1r n ASP 108 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 3i1r n VAL 109 N -2.79-11.38 -3.89 2.53 0.31 -1.25 -2.14 118.33 99.71 3i1r n VAL 109 Ca -0.22 2.39 -0.21 0.00 -0.01 0.00 0.00 64.34 66.29 3i1r n VAL 109 Cb 0.77 -6.07 -0.02 0.00 -0.91 0.00 0.00 33.84 27.60 3i1r n VAL 109 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3i1r s THR 110 N -0.66 4.75 0.11 2.52 2.01 0.56 -1.55 115.64 123.38 3i1r s THR 110 Ca -0.24 -1.10 -0.22 0.00 0.31 0.00 0.00 61.69 60.45 3i1r s THR 110 Cb 0.02 -3.64 0.08 0.00 0.01 0.00 0.00 72.50 68.96 3i1r s THR 110 CO 0.70 -0.29 1.03 0.61 -0.69 0.00 0.00 174.62 175.97 3i1r n GLY 111 N -1.41 0.52 3.13 4.40 0.00 -0.67 -2.46 105.19 108.71 3i1r n GLY 111 Ca -0.07 -1.10 -0.35 0.00 0.00 0.00 0.00 46.02 44.51 3i1r n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i1r s THR 112 N -2.08 2.94 0.08 2.61 2.01 -1.26 -3.92 115.64 116.03 3i1r s THR 112 Ca 0.23 -1.71 -0.33 0.00 0.31 0.00 0.00 61.69 60.20 3i1r s THR 112 Cb -0.02 -2.84 -0.12 0.00 0.01 0.00 0.00 72.50 69.53 3i1r s THR 112 CO 0.03 -0.33 1.78 -1.54 -0.69 0.00 0.00 174.62 173.87 3i1r n SER 113 N 4.56 3.64 -4.13 3.53 3.41 -0.18 -3.45 113.62 121.00 3i1r n SER 113 Ca -0.08 1.01 -0.35 0.00 -0.26 0.00 0.00 58.87 59.19 3i1r n SER 113 Cb 0.43 -1.47 0.07 0.00 -0.26 0.00 0.00 64.21 62.97 3i1r n SER 113 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3i1r n LYS 114 N 5.29 -0.14 -3.41 4.33 -0.00 -1.26 0.21 118.16 123.18 3i1r n LYS 114 Ca 0.19 -0.03 -0.42 0.00 -0.00 0.00 0.00 58.31 58.04 3i1r n LYS 114 Cb 0.33 -1.27 -0.09 0.00 -0.00 0.00 0.00 35.03 33.99 3i1r n LYS 114 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 3i1r s GLY 115 N -1.33 1.95 -0.05 2.58 0.00 -1.26 -1.85 107.32 107.35 3i1r s GLY 115 Ca 0.45 -1.54 0.05 0.00 0.00 0.00 0.00 44.72 43.68 3i1r s GLY 115 CO 0.77 1.01 0.62 0.50 0.00 0.00 0.00 173.10 175.99 3i1r h LYS 116 N 8.63 0.10 0.00 2.90 1.79 -1.58 -3.48 116.57 124.94 3i1r h LYS 116 Ca -0.28 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 3i1r h LYS 116 Cb 1.12 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 3i1r h LYS 116 CO 0.74 0.79 0.00 0.41 -1.08 0.00 0.00 179.45 180.31 3i1r n GLY 117 N 1.69 2.66 0.00 3.86 0.00 -0.91 -4.47 105.19 108.02 3i1r n GLY 117 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3i1r n GLY 117 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3i1r n PHE 118 N -0.73 0.00 0.00 1.61 -1.74 -1.26 -4.47 117.46 110.87 3i1r n PHE 118 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 3i1r n PHE 118 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 3i1r n PHE 118 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3i1r n ALA 119 N 0.00 0.00 0.00 1.98 0.00 -1.26 -2.75 120.51 118.47 3i1r n ALA 119 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1r n ALA 119 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i1r n ALA 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1r n GLY 120 N 0.00 -0.57 3.73 0.00 0.00 -1.26 -4.66 105.19 102.43 3i1r n GLY 120 Ca 0.00 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 3i1r n GLY 120 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i1r n THR 121 N 0.03 1.86 0.00 2.61 -2.24 -1.26 -1.75 114.28 113.53 3i1r n THR 121 Ca 0.00 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3i1r n THR 121 Cb 0.00 -1.77 0.00 0.00 -2.10 0.00 0.00 70.33 66.46 3i1r n THR 121 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3i1r n VAL 122 N 0.62 0.00 -0.03 2.28 0.31 -1.26 -4.75 118.33 115.50 3i1r n VAL 122 Ca 0.04 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.22 3i1r n VAL 122 Cb 0.37 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.19 3i1r n VAL 122 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3i1r h LYS 123 N 0.00 0.13 0.01 5.55 3.64 -1.75 -0.94 116.57 123.21 3i1r h LYS 123 Ca 0.00 -0.13 -0.25 0.00 -1.27 0.00 0.00 60.65 59.00 3i1r h LYS 123 Cb 0.00 0.03 0.01 0.00 -0.41 0.00 0.00 32.23 31.87 3i1r h LYS 123 CO 0.00 0.84 -1.03 -0.09 -2.27 0.00 0.00 179.45 176.90 3i1r h ARG 124 N -0.53 0.58 0.00 1.90 2.43 -1.63 -3.35 114.38 113.78 3i1r h ARG 124 Ca -0.02 -0.64 0.00 0.00 -0.81 0.00 0.00 59.98 58.51 3i1r h ARG 124 Cb 0.88 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 3i1r h ARG 124 CO 0.03 1.25 -0.10 0.91 -1.51 0.00 0.00 179.97 180.55 3i1r n TRP 125 N -3.80 0.00 -0.88 2.20 7.02 -1.26 -4.97 117.44 115.75 3i1r n TRP 125 Ca -0.10 -0.49 0.00 0.00 -1.02 0.00 0.00 57.50 55.90 3i1r n TRP 125 Cb 0.88 -0.08 0.00 0.00 -2.42 0.00 0.00 31.31 29.69 3i1r n TRP 125 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3i1r n ASN 126 N -0.64 -2.86 -3.17 -0.99 5.03 -0.36 -4.77 115.26 107.49 3i1r n ASN 126 Ca 0.06 0.00 -0.29 0.00 0.87 0.00 0.00 54.58 55.22 3i1r n ASN 126 Cb 0.52 -1.96 0.02 0.00 -1.02 0.00 0.00 39.78 37.34 3i1r n ASN 126 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 3i1r n PHE 127 N -2.24 -2.80 -3.97 3.10 0.99 -1.24 -4.77 117.46 106.51 3i1r n PHE 127 Ca 0.00 0.22 -0.36 0.00 -0.00 0.00 0.00 57.45 57.32 3i1r n PHE 127 Cb 0.18 -1.22 -0.08 0.00 -1.00 0.00 0.00 39.48 37.36 3i1r n PHE 127 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3i1r s ARG 128 N -1.02 3.66 0.57 -1.08 0.52 -1.26 -4.42 118.95 115.92 3i1r s ARG 128 Ca 0.39 -0.25 -0.19 0.00 -0.52 0.00 0.00 55.73 55.15 3i1r s ARG 128 Cb -0.30 -3.17 -0.06 0.00 0.52 0.00 0.00 34.95 31.94 3i1r s ARG 128 CO 0.55 0.53 0.92 2.41 0.02 0.00 0.00 175.30 179.73 3i1r n THR 129 N 2.75 3.30 -1.56 0.02 -1.04 -1.26 -5.01 114.28 111.47 3i1r n THR 129 Ca -0.18 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.05 61.03 3i1r n THR 129 Cb 0.53 -1.10 0.23 0.00 -1.82 0.00 0.00 70.33 68.17 3i1r n THR 129 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3i1r s GLN 130 N -2.55 -0.46 0.42 -2.82 -0.21 -1.12 -5.00 119.66 107.92 3i1r s GLN 130 Ca 0.73 -0.38 -0.26 0.00 0.02 0.00 0.00 55.36 55.47 3i1r s GLN 130 Cb -0.44 -1.71 -0.09 0.00 1.00 0.00 0.00 33.01 31.77 3i1r s GLN 130 CO 0.50 -3.16 1.33 -0.51 -2.12 0.00 0.00 175.29 171.33 3i1r s ASP 131 N -4.55 6.20 0.22 5.90 1.11 -1.26 -4.90 116.67 119.40 3i1r s ASP 131 Ca 0.75 2.71 0.16 0.00 0.18 0.00 0.00 52.55 56.34 3i1r s ASP 131 Cb -0.05 -2.64 0.01 0.00 1.07 0.00 0.00 42.92 41.31 3i1r s ASP 131 CO 0.55 -0.93 1.26 0.00 1.18 0.00 0.00 175.17 177.23 3i1r h ALA 132 N 2.58 0.66 -3.00 5.23 0.00 -1.94 -3.44 119.26 119.35 3i1r h ALA 132 Ca -0.50 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 53.86 3i1r h ALA 132 Cb 1.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3i1r h ALA 132 CO 0.62 0.69 0.00 -2.37 0.00 0.00 0.00 179.25 178.19 3i1r n THR 133 N -3.11 0.00 -2.09 0.00 5.66 -1.26 -4.74 114.28 108.73 3i1r n THR 133 Ca -0.01 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.84 3i1r n THR 133 Cb 0.76 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.52 3i1r n THR 133 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 3i1r n HIS 134 N 0.00 -0.54 0.00 1.09 -0.00 -1.26 -2.34 115.22 112.17 3i1r n HIS 134 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3i1r n HIS 134 Cb 0.00 -2.95 0.00 0.00 -0.00 0.00 0.00 29.99 27.04 3i1r n HIS 134 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3i1r n GLY 135 N -1.06 0.56 3.65 -1.41 0.00 -1.26 -5.03 105.19 100.65 3i1r n GLY 135 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 3i1r n GLY 135 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i1r s ASN 136 N -2.31 6.53 -0.89 1.61 3.84 -0.99 -4.92 114.94 117.81 3i1r s ASN 136 Ca 0.00 2.29 -0.12 0.00 0.21 0.00 0.00 52.86 55.24 3i1r s ASN 136 Cb 0.00 -2.53 0.23 0.00 -0.55 0.00 0.00 41.25 38.40 3i1r s ASN 136 CO 0.00 -1.03 0.84 -0.44 -2.79 0.00 0.00 177.10 173.67 3i1r s SER 137 N 3.94 6.84 -0.24 -4.21 0.01 -1.26 -4.70 113.70 114.08 3i1r s SER 137 Ca 0.79 -2.91 -0.01 0.00 1.31 0.00 0.00 55.95 55.12 3i1r s SER 137 Cb -0.35 -2.20 0.00 0.00 0.21 0.00 0.00 66.02 63.68 3i1r s SER 137 CO 0.33 -0.50 0.21 0.18 0.41 0.00 0.00 173.24 173.87 3i1r n LEU 138 N 3.65 -2.30 -2.73 2.44 4.77 -1.26 -4.99 117.00 116.58 3i1r n LEU 138 Ca 0.16 -0.11 -0.06 0.00 -0.03 0.00 0.00 56.01 55.98 3i1r n LEU 138 Cb 0.45 -0.97 0.04 0.00 -2.33 0.00 0.00 43.42 40.60 3i1r n LEU 138 CO 0.36 0.10 0.27 -1.20 -1.33 0.00 0.00 177.39 175.59 3i1r n SER 139 N -0.12 -2.68 -0.04 -1.43 7.64 -1.26 -4.97 113.62 110.76 3i1r n SER 139 Ca -0.02 -2.66 -0.05 0.00 1.01 0.00 0.00 58.87 57.16 3i1r n SER 139 Cb 0.52 1.51 -0.06 0.00 -1.01 0.00 0.00 64.21 65.17 3i1r n SER 139 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3i1r n HIS 140 N 2.18 0.00 0.57 1.43 8.25 -1.26 -4.58 115.22 121.80 3i1r n HIS 140 Ca 0.11 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.63 3i1r n HIS 140 Cb 0.62 -0.39 -0.01 0.00 1.12 0.00 0.00 29.99 31.32 3i1r n HIS 140 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3i1r n ARG 141 N -2.44 2.11 -0.86 -0.41 1.74 -1.26 -2.78 116.66 112.76 3i1r n ARG 141 Ca -0.14 -0.56 -0.32 0.00 -0.77 0.00 0.00 57.85 56.05 3i1r n ARG 141 Cb 0.74 -1.15 0.14 0.00 -1.02 0.00 0.00 32.46 31.17 3i1r n ARG 141 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3i1r n VAL 142 N -0.41 0.67 0.08 1.55 0.24 -1.26 -4.75 118.33 114.46 3i1r n VAL 142 Ca 0.05 -0.13 -0.13 0.00 -2.04 0.00 0.00 64.34 62.09 3i1r n VAL 142 Cb 0.25 -0.94 -0.07 0.00 -1.47 0.00 0.00 33.84 31.61 3i1r n VAL 142 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3i1r h PRO 143 N -1.45 0.31 -5.28 7.34 0.11 -1.96 -3.46 132.00 127.60 3i1r h PRO 143 Ca -0.44 -0.39 0.01 0.00 0.11 0.00 0.00 66.00 65.28 3i1r h PRO 143 Cb 1.29 0.12 -0.08 0.00 0.11 0.00 0.00 31.00 32.44 3i1r h PRO 143 CO 0.41 1.11 -1.04 0.41 -0.21 0.00 0.00 178.00 178.67 3i1r n GLY 144 N 1.13 -3.62 1.40 -0.55 0.00 -1.26 -4.88 105.19 97.41 3i1r n GLY 144 Ca -0.06 1.11 0.00 0.00 0.00 0.00 0.00 46.02 47.07 3i1r n GLY 144 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3i1r n SER 145 N 1.99 -5.47 -0.03 1.61 2.88 -1.26 -5.01 113.62 108.32 3i1r n SER 145 Ca -0.26 0.75 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 3i1r n SER 145 Cb 0.40 -2.99 0.00 0.00 -0.75 0.00 0.00 64.21 60.87 3i1r n SER 145 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3i1r n ILE 146 N 0.91 0.19 -2.72 2.46 -5.35 -1.26 -5.08 119.36 108.51 3i1r n ILE 146 Ca 0.00 -0.60 0.00 0.00 -0.27 0.00 0.00 62.75 61.88 3i1r n ILE 146 Cb 0.00 0.92 0.00 0.00 -1.74 0.00 0.00 39.64 38.82 3i1r n ILE 146 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i1r n GLY 147 N -0.05 2.93 0.00 3.28 0.00 -1.26 -4.73 105.19 105.35 3i1r n GLY 147 Ca 0.01 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.00 3i1r n GLY 147 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i1r n GLN 148 N 0.00 0.00 -0.38 1.61 3.00 -1.26 -5.16 117.38 115.19 3i1r n GLN 148 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3i1r n GLN 148 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3i1r n GLN 148 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 3i1r n ASN 149 N 0.00 0.00 -0.50 1.08 5.15 -1.26 -4.99 115.26 114.74 3i1r n ASN 149 Ca 0.00 -0.27 0.42 0.00 -0.60 0.00 0.00 54.58 54.13 3i1r n ASN 149 Cb 0.00 0.00 0.64 0.00 -0.53 0.00 0.00 39.78 39.89 3i1r n ASN 149 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 3i1r n GLN 150 N 0.00 0.01 0.00 1.20 7.27 -1.26 -0.81 117.38 123.79 3i1r n GLN 150 Ca 0.00 1.01 0.00 0.00 0.07 0.00 0.00 57.00 58.08 3i1r n GLN 150 Cb 0.00 -2.41 0.00 0.00 2.41 0.00 0.00 30.24 30.24 3i1r n GLN 150 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 3i1r n THR 151 N -3.57 0.00 0.09 1.69 -1.04 -1.26 -2.62 114.28 107.56 3i1r n THR 151 Ca 0.35 0.95 0.18 0.00 -2.04 0.00 0.00 64.05 63.49 3i1r n THR 151 Cb 1.76 -1.86 0.72 0.00 -1.82 0.00 0.00 70.33 69.14 3i1r n THR 151 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3i1r h PRO 152 N 0.00 0.00 -6.31 -2.82 0.11 -1.73 -3.43 132.00 117.82 3i1r h PRO 152 Ca 0.00 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.68 3i1r h PRO 152 Cb 0.00 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 30.89 3i1r h PRO 152 CO 0.00 0.00 -0.62 0.41 -0.21 0.00 0.00 178.00 177.58 3i1r n GLY 153 N -1.56 -0.44 3.92 -0.55 0.00 0.01 -4.82 105.19 101.75 3i1r n GLY 153 Ca 0.06 0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 3i1r n GLY 153 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i1r s LYS 154 N -6.46 0.96 -0.14 1.61 -2.85 -1.26 -5.05 119.74 106.56 3i1r s LYS 154 Ca 0.55 -0.62 0.00 0.00 -1.00 0.00 0.00 55.97 54.90 3i1r s LYS 154 Cb -0.31 0.27 -0.01 0.00 -2.06 0.00 0.00 37.83 35.71 3i1r s LYS 154 CO 0.68 -0.45 -0.14 0.08 0.10 0.00 0.00 175.35 175.62 3i1r s VAL 155 N -2.12 2.89 0.76 1.79 1.01 -1.26 -4.61 120.40 118.85 3i1r s VAL 155 Ca 0.24 -0.71 -0.14 0.00 0.00 0.00 0.00 61.98 61.38 3i1r s VAL 155 Cb -0.02 -2.21 0.06 0.00 0.00 0.00 0.00 36.38 34.20 3i1r s VAL 155 CO 0.03 0.52 1.17 -0.36 0.00 0.00 0.00 175.10 176.46 3i1r s PHE 156 N 0.56 2.09 0.16 5.22 0.08 -1.26 -4.97 117.98 119.86 3i1r s PHE 156 Ca -0.09 1.63 -0.30 0.00 0.12 0.00 0.00 56.93 58.29 3i1r s PHE 156 Cb -0.16 -3.37 -0.07 0.00 -0.57 0.00 0.00 43.02 38.85 3i1r s PHE 156 CO 0.04 -2.45 1.07 0.15 -0.10 0.00 0.00 175.22 173.92 3i1r s LYS 157 N -4.17 4.62 0.00 0.44 1.02 -1.26 -3.35 119.74 117.04 3i1r s LYS 157 Ca 0.71 1.65 0.00 0.00 0.02 0.00 0.00 55.97 58.35 3i1r s LYS 157 Cb -0.26 -3.30 0.00 0.00 -0.52 0.00 0.00 37.83 33.75 3i1r s LYS 157 CO 0.48 0.10 0.00 0.41 -0.92 0.00 0.00 175.35 175.42 3i1r n GLY 158 N 2.14 0.59 3.60 -3.33 0.00 -1.26 -5.05 105.19 101.88 3i1r n GLY 158 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3i1r n GLY 158 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i1r n LYS 159 N -1.51 2.04 -1.60 1.61 0.00 -1.21 -4.87 118.16 112.63 3i1r n LYS 159 Ca 0.00 0.58 -0.55 0.00 0.00 0.00 0.00 58.31 58.34 3i1r n LYS 159 Cb 0.00 -3.21 -0.07 0.00 0.00 0.00 0.00 35.03 31.74 3i1r n LYS 159 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3i1r n LYS 160 N 8.64 1.13 -4.19 1.64 5.02 -1.26 -4.92 118.16 124.22 3i1r n LYS 160 Ca 0.29 0.38 -0.11 0.00 -2.02 0.00 0.00 58.31 56.85 3i1r n LYS 160 Cb 0.44 -2.20 -0.10 0.00 -0.02 0.00 0.00 35.03 33.15 3i1r n LYS 160 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3i1r s MET 161 N 4.55 1.04 0.36 1.97 -1.94 -1.26 -5.03 119.30 118.98 3i1r s MET 161 Ca 1.03 -1.51 -0.28 0.00 -1.71 0.00 0.00 55.69 53.22 3i1r s MET 161 Cb -1.01 0.09 -0.12 0.00 2.01 0.00 0.00 34.83 35.79 3i1r s MET 161 CO 0.60 -0.25 1.32 0.00 -0.01 0.00 0.00 175.02 176.68 3i1r n ALA 162 N -0.18 1.46 -3.63 3.03 0.00 -1.26 -4.67 120.51 115.27 3i1r n ALA 162 Ca -0.04 0.35 -0.02 0.00 0.00 0.00 0.00 53.44 53.72 3i1r n ALA 162 Cb 0.64 -2.28 -0.02 0.00 0.00 0.00 0.00 19.45 17.79 3i1r n ALA 162 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i1r s GLY 163 N -0.31 -0.25 -0.07 0.00 0.00 -1.11 -4.92 107.32 100.66 3i1r s GLY 163 Ca 0.56 1.74 -0.41 0.00 0.00 0.00 0.00 44.72 46.61 3i1r s GLY 163 CO 0.62 0.56 1.21 -0.18 0.00 0.00 0.00 173.10 175.31 3i1r n GLN 164 N -0.08 0.20 -5.15 2.90 -0.06 -1.26 -4.29 117.38 109.64 3i1r n GLN 164 Ca 0.03 0.07 -0.31 0.00 -2.00 0.00 0.00 57.00 54.79 3i1r n GLN 164 Cb 0.57 -1.60 -0.15 0.00 -4.06 0.00 0.00 30.24 25.01 3i1r n GLN 164 CO 0.00 0.00 0.00 1.41 -0.20 0.00 0.00 177.06 178.27 3i1r s MET 165 N 0.63 2.16 0.28 3.69 -2.45 -1.26 -4.78 119.30 117.57 3i1r s MET 165 Ca 0.92 -0.90 0.00 0.00 -1.25 0.00 0.00 55.69 54.47 3i1r s MET 165 Cb -1.25 -2.12 0.00 0.00 1.25 0.00 0.00 34.83 32.71 3i1r s MET 165 CO 0.60 0.57 0.00 0.41 1.05 0.00 0.00 175.02 177.64 3i1r n GLY 166 N 2.30 -2.02 2.27 2.11 0.00 -1.26 -1.74 105.19 106.84 3i1r n GLY 166 Ca -0.16 -1.25 -0.09 0.00 0.00 0.00 0.00 46.02 44.51 3i1r n GLY 166 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i1r n ASN 167 N -3.47 -3.33 -3.47 1.61 5.15 0.56 -4.54 115.26 107.77 3i1r n ASN 167 Ca -0.01 -0.23 -0.21 0.00 -0.60 0.00 0.00 54.58 53.53 3i1r n ASN 167 Cb 0.46 -2.37 -0.07 0.00 -0.53 0.00 0.00 39.78 37.27 3i1r n ASN 167 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 3i1r n GLU 168 N -2.34 0.53 0.00 1.20 0.28 -1.23 -4.87 120.64 114.21 3i1r n GLU 168 Ca -0.03 -3.12 0.00 0.00 -0.16 0.00 0.00 57.16 53.85 3i1r n GLU 168 Cb 0.54 1.97 0.00 0.00 1.43 0.00 0.00 31.44 35.37 3i1r n GLU 168 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 3i1r n ARG 169 N -0.76 0.00 -1.30 3.44 0.63 -1.26 -1.01 116.66 116.40 3i1r n ARG 169 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 3i1r n ARG 169 Cb 0.56 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.47 3i1r n ARG 169 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 3i1r n VAL 170 N 0.00 -7.58 -4.14 5.15 0.24 -1.25 -3.72 118.33 107.03 3i1r n VAL 170 Ca 0.00 1.64 -0.27 0.00 -2.04 0.00 0.00 64.34 63.66 3i1r n VAL 170 Cb 0.00 -3.81 -0.04 0.00 -1.47 0.00 0.00 33.84 28.53 3i1r n VAL 170 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3i1r s THR 171 N -0.25 1.68 -0.03 3.34 -4.23 -1.26 -1.66 115.64 113.23 3i1r s THR 171 Ca 0.00 -1.65 -0.02 0.00 -1.18 0.00 0.00 61.69 58.84 3i1r s THR 171 Cb 0.00 -2.33 -0.02 0.00 1.34 0.00 0.00 72.50 71.49 3i1r s THR 171 CO 0.00 0.00 -0.05 0.52 -0.54 0.00 0.00 174.62 174.55 3i1r n VAL 172 N -1.54 0.41 0.00 2.29 0.31 -0.59 -4.94 118.33 114.26 3i1r n VAL 172 Ca -0.06 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 3i1r n VAL 172 Cb 0.65 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 32.00 3i1r n VAL 172 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i1r n GLN 173 N -3.26 0.00 0.00 5.55 6.02 -0.91 -4.96 117.38 119.82 3i1r n GLN 173 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 3i1r n GLN 173 Cb 0.48 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.74 3i1r n GLN 173 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3i1r n SER 174 N -0.97 0.00 -1.81 1.08 2.88 -1.26 -4.98 113.62 108.55 3i1r n SER 174 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 3i1r n SER 174 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 3i1r n SER 174 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3i1r n LEU 175 N 0.00 -3.68 -4.72 2.46 4.77 -1.26 -4.11 117.00 110.46 3i1r n LEU 175 Ca 0.00 0.98 -0.42 0.00 -0.03 0.00 0.00 56.01 56.54 3i1r n LEU 175 Cb 0.00 -1.90 -0.03 0.00 -2.33 0.00 0.00 43.42 39.16 3i1r n LEU 175 CO 0.00 -1.47 0.85 -1.81 -1.33 0.00 0.00 177.39 173.63 3i1r s ASP 176 N -0.25 7.14 0.13 -1.43 -0.00 -1.26 -4.15 116.67 116.85 3i1r s ASP 176 Ca -0.08 2.02 -0.31 0.00 -0.00 0.00 0.00 52.55 54.17 3i1r s ASP 176 Cb 0.01 -2.59 -0.09 0.00 -0.00 0.00 0.00 42.92 40.25 3i1r s ASP 176 CO 0.22 -0.40 1.54 0.68 -0.00 0.00 0.00 175.17 177.21 3i1r s VAL 177 N 0.71 2.88 -0.19 -1.27 -7.23 -1.18 -0.22 120.40 113.89 3i1r s VAL 177 Ca 0.56 0.58 0.02 0.00 -1.81 0.00 0.00 61.98 61.33 3i1r s VAL 177 Cb -0.29 -3.37 -0.21 0.00 0.56 0.00 0.00 36.38 33.06 3i1r s VAL 177 CO 0.31 0.04 0.07 0.52 -0.31 0.00 0.00 175.10 175.73 3i1r n VAL 178 N 4.11 1.58 -3.62 1.32 0.31 1.35 -4.88 118.33 118.50 3i1r n VAL 178 Ca 0.14 -0.65 -0.13 0.00 -0.01 0.00 0.00 64.34 63.68 3i1r n VAL 178 Cb 0.40 -1.37 -0.07 0.00 -0.91 0.00 0.00 33.84 31.89 3i1r n VAL 178 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3i1r s ARG 179 N -2.54 0.76 -0.05 5.55 3.52 -0.78 -4.94 118.95 120.47 3i1r s ARG 179 Ca -0.25 0.80 0.06 0.00 -0.13 0.00 0.00 55.73 56.21 3i1r s ARG 179 Cb 0.08 0.37 -0.01 0.00 -1.56 0.00 0.00 34.95 33.83 3i1r s ARG 179 CO 0.70 -0.11 -0.24 0.08 -0.81 0.00 0.00 175.30 174.92 3i1r s VAL 180 N 0.16 1.95 -0.34 7.11 1.01 -1.26 -0.42 120.40 128.61 3i1r s VAL 180 Ca -0.00 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 61.03 3i1r s VAL 180 Cb -0.04 -1.65 0.18 0.00 0.00 0.00 0.00 36.38 34.87 3i1r s VAL 180 CO -0.00 0.54 0.57 -0.62 0.00 0.00 0.00 175.10 175.59 3i1r s ASP 181 N -0.17 -1.16 0.00 3.32 2.15 -1.26 -4.96 116.67 114.58 3i1r s ASP 181 Ca -0.02 -0.37 0.00 0.00 0.43 0.00 0.00 52.55 52.59 3i1r s ASP 181 Cb -0.13 1.80 0.00 0.00 -0.30 0.00 0.00 42.92 44.29 3i1r s ASP 181 CO 0.03 -0.25 0.00 0.00 -0.17 0.00 0.00 175.17 174.78 3i1r n ALA 182 N 4.95 0.00 -0.59 3.66 0.00 -1.26 0.32 120.51 127.59 3i1r n ALA 182 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3i1r n ALA 182 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3i1r n ALA 182 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3i1r n GLU 183 N 0.00 -0.78 0.00 0.00 -0.00 -1.26 -2.96 120.64 115.64 3i1r n GLU 183 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 3i1r n GLU 183 Cb 0.00 -2.60 0.00 0.00 -0.00 0.00 0.00 31.44 28.84 3i1r n GLU 183 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 3i1r n ARG 184 N -0.59 0.00 -3.37 3.44 0.63 -1.21 -5.04 116.66 110.51 3i1r n ARG 184 Ca 0.00 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.74 3i1r n ARG 184 Cb 0.00 0.00 0.07 0.00 0.45 0.00 0.00 32.46 32.98 3i1r n ARG 184 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3i1r n ASN 185 N 0.00 -5.06 -3.82 6.15 3.02 -0.07 -4.92 115.26 110.55 3i1r n ASN 185 Ca 0.00 -0.46 -0.14 0.00 -0.03 0.00 0.00 54.58 53.95 3i1r n ASN 185 Cb 0.00 -4.26 0.06 0.00 -0.61 0.00 0.00 39.78 34.97 3i1r n ASN 185 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3i1r n LEU 186 N -4.13 0.00 0.00 3.41 4.32 0.15 -0.82 117.00 119.93 3i1r n LEU 186 Ca -0.03 -1.53 0.00 0.00 -0.02 0.00 0.00 56.01 54.43 3i1r n LEU 186 Cb 0.56 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 42.00 3i1r n LEU 186 CO 0.53 -0.74 0.00 -0.11 -1.22 0.00 0.00 177.39 175.85 3i1r n LEU 187 N 0.00 0.00 -4.47 2.23 7.94 -0.95 -4.09 117.00 117.67 3i1r n LEU 187 Ca 0.11 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 54.63 3i1r n LEU 187 Cb 0.40 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.23 3i1r n LEU 187 CO 0.26 0.00 -0.20 -0.76 -1.11 0.00 0.00 177.39 175.58 3i1r s LEU 188 N 0.00 4.05 0.26 -1.96 1.43 0.45 -1.11 118.68 121.79 3i1r s LEU 188 Ca 0.00 -0.41 0.08 0.00 -1.03 0.00 0.00 54.13 52.77 3i1r s LEU 188 Cb 0.00 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 3i1r s LEU 188 CO 0.00 -0.16 0.10 0.68 0.23 0.00 0.00 176.35 177.20 3i1r s VAL 189 N 1.64 4.00 0.00 -1.59 -7.23 -1.20 0.41 120.40 116.43 3i1r s VAL 189 Ca 0.05 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 3i1r s VAL 189 Cb -0.17 -3.15 0.00 0.00 0.56 0.00 0.00 36.38 33.62 3i1r s VAL 189 CO 0.07 -0.36 0.23 1.17 -0.31 0.00 0.00 175.10 175.90 3i1r n LYS 190 N -1.04 0.00 -1.19 4.82 3.00 0.69 -1.36 118.16 123.08 3i1r n LYS 190 Ca -0.07 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.25 3i1r n LYS 190 Cb 0.58 -1.39 -0.00 0.00 0.00 0.00 0.00 35.03 34.22 3i1r n LYS 190 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i1r n GLY 191 N 2.37 -1.49 0.82 3.14 0.00 -0.83 -4.78 105.19 104.42 3i1r n GLY 191 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3i1r n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1r n ALA 192 N -2.39 -0.57 -2.65 4.61 0.00 -1.26 -4.82 120.51 113.43 3i1r n ALA 192 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.21 3i1r n ALA 192 Cb 0.19 -0.13 -0.06 0.00 0.00 0.00 0.00 19.45 19.46 3i1r n ALA 192 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3i1r s VAL 193 N -2.55 3.70 0.31 0.00 -7.23 -1.26 -5.06 120.40 108.31 3i1r s VAL 193 Ca 0.00 -1.62 -0.19 0.00 -1.81 0.00 0.00 61.98 58.36 3i1r s VAL 193 Cb 0.00 -3.11 -0.09 0.00 0.56 0.00 0.00 36.38 33.74 3i1r s VAL 193 CO 0.00 -0.30 0.80 -2.16 -0.31 0.00 0.00 175.10 173.13 3i1r s PRO 194 N -3.81 4.20 0.00 4.82 0.04 -1.26 -4.98 135.00 134.00 3i1r s PRO 194 Ca 0.35 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.28 3i1r s PRO 194 Cb -0.06 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.90 3i1r s PRO 194 CO 0.23 0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.90 3i1r n GLY 195 N 0.06 3.33 3.72 0.56 0.00 -1.22 -4.04 105.19 107.60 3i1r n GLY 195 Ca 0.02 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.11 3i1r n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1r s ALA 196 N -1.48 1.56 0.71 4.61 0.00 -1.26 -4.85 121.76 121.05 3i1r s ALA 196 Ca 0.00 -0.13 -0.16 0.00 0.00 0.00 0.00 51.96 51.66 3i1r s ALA 196 Cb 0.00 -3.17 0.01 0.00 0.00 0.00 0.00 23.12 19.96 3i1r s ALA 196 CO 0.00 -2.34 1.10 2.41 0.00 0.00 0.00 175.76 176.93 3i1r n THR 197 N -3.86 3.33 -0.99 0.00 -1.04 -1.26 -2.19 114.28 108.28 3i1r n THR 197 Ca 0.07 -0.39 0.00 0.00 -2.04 0.00 0.00 64.05 61.69 3i1r n THR 197 Cb 0.56 -1.23 0.00 0.00 -1.82 0.00 0.00 70.33 67.84 3i1r n THR 197 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i1r n GLY 198 N 0.97 0.11 3.90 3.41 0.00 0.33 -4.93 105.19 108.97 3i1r n GLY 198 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 3i1r n GLY 198 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i1r s SER 199 N -2.01 6.49 0.73 1.61 1.04 -0.93 -4.79 113.70 115.84 3i1r s SER 199 Ca 0.00 0.61 -0.15 0.00 0.48 0.00 0.00 55.95 56.88 3i1r s SER 199 Cb 0.00 -2.10 0.04 0.00 0.10 0.00 0.00 66.02 64.06 3i1r s SER 199 CO 0.00 0.04 1.23 -1.81 0.98 0.00 0.00 173.24 173.68 3i1r s ASP 200 N -2.46 4.12 -0.10 7.02 1.01 -1.26 -2.06 116.67 122.94 3i1r s ASP 200 Ca 0.41 2.45 -0.07 0.00 0.71 0.00 0.00 52.55 56.05 3i1r s ASP 200 Cb -0.12 -2.60 0.04 0.00 1.01 0.00 0.00 42.92 41.25 3i1r s ASP 200 CO 0.25 -2.32 0.26 -0.22 0.21 0.00 0.00 175.17 173.35 3i1r s LEU 201 N -5.08 0.72 -0.33 1.23 2.96 0.93 -4.46 118.68 114.66 3i1r s LEU 201 Ca 0.77 0.54 0.02 0.00 -0.22 0.00 0.00 54.13 55.24 3i1r s LEU 201 Cb -0.32 0.84 0.10 0.00 0.50 0.00 0.00 46.19 47.31 3i1r s LEU 201 CO 0.45 -0.12 0.06 -0.63 -1.32 0.00 0.00 176.35 174.79 3i1r s ILE 202 N 0.65 1.83 -0.21 6.68 1.01 -1.03 0.41 121.20 130.54 3i1r s ILE 202 Ca -0.04 -2.01 -0.07 0.00 0.00 0.00 0.00 60.65 58.52 3i1r s ILE 202 Cb -0.06 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 40.04 3i1r s ILE 202 CO -0.04 -0.60 0.06 0.54 0.00 0.00 0.00 174.94 174.90 3i1r s VAL 203 N 1.14 4.50 0.23 2.92 0.11 -1.01 -0.33 120.40 127.96 3i1r s VAL 203 Ca 0.10 -0.12 0.09 0.00 -2.93 0.00 0.00 61.98 59.12 3i1r s VAL 203 Cb -0.18 -3.06 -0.04 0.00 -1.53 0.00 0.00 36.38 31.56 3i1r s VAL 203 CO -0.13 0.40 -0.04 -0.54 -3.33 0.00 0.00 175.10 171.46 3i1r s LYS 204 N 0.99 2.21 0.52 1.54 1.02 -1.26 -1.25 119.74 123.51 3i1r s LYS 204 Ca 0.04 -1.35 -0.23 0.00 0.02 0.00 0.00 55.97 54.45 3i1r s LYS 204 Cb -0.14 -2.16 -0.06 0.00 -0.52 0.00 0.00 37.83 34.95 3i1r s LYS 204 CO 0.03 0.39 1.37 -1.25 -0.92 0.00 0.00 175.35 174.97 3i1r s PRO 205 N -3.33 3.28 0.44 -1.68 0.04 -1.26 0.17 135.00 132.65 3i1r s PRO 205 Ca 0.29 2.27 -0.23 0.00 0.04 0.00 0.00 61.00 63.37 3i1r s PRO 205 Cb -0.07 -2.35 -0.08 0.00 0.04 0.00 0.00 34.50 32.04 3i1r s PRO 205 CO 0.18 -1.09 1.10 0.00 0.04 0.00 0.00 177.00 177.23 3i1r s ALA 206 N -1.29 2.99 -0.08 8.56 0.00 -1.26 -4.51 121.76 126.17 3i1r s ALA 206 Ca 0.69 0.80 0.22 0.00 0.00 0.00 0.00 51.96 53.67 3i1r s ALA 206 Cb -0.41 -3.32 -0.26 0.00 0.00 0.00 0.00 23.12 19.13 3i1r s ALA 206 CO 0.49 -0.44 0.60 1.33 0.00 0.00 0.00 175.76 177.74 3i1r n VAL 207 N -0.41 0.20 -2.95 0.00 0.24 -1.26 -4.70 118.33 109.44 3i1r n VAL 207 Ca 0.07 -0.53 -0.24 0.00 -2.04 0.00 0.00 64.34 61.60 3i1r n VAL 207 Cb 0.49 -0.10 0.01 0.00 -1.47 0.00 0.00 33.84 32.77 3i1r n VAL 207 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3i1r s LYS 208 N -3.44 3.17 0.00 7.34 1.02 -1.26 -5.18 119.74 121.38 3i1r s LYS 208 Ca -0.06 -0.34 0.00 0.00 0.02 0.00 0.00 55.97 55.59 3i1r s LYS 208 Cb 0.13 -2.53 0.00 0.00 -0.52 0.00 0.00 37.83 34.91 3i1r s LYS 208 CO 0.88 -0.24 0.24 0.00 -0.92 0.00 0.00 175.35 175.31