#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ogy s ARG 13 N 0.00 3.07 -0.22 0.38 0.52 -0.78 -4.93 118.95 117.00 1ogy s ARG 13 Ca 0.00 -0.83 -0.14 0.00 -0.52 0.00 0.00 55.73 54.24 1ogy s ARG 13 Cb 0.00 -3.04 -0.04 0.00 0.52 0.00 0.00 34.95 32.38 1ogy s ARG 13 CO 0.00 -0.33 0.32 -1.58 0.02 0.00 0.00 175.30 173.73 1ogy s TRP 14 N 1.41 3.35 0.07 -0.53 0.52 -1.26 -0.12 118.94 122.38 1ogy s TRP 14 Ca 0.03 0.49 0.09 0.00 0.02 0.00 0.00 56.10 56.72 1ogy s TRP 14 Cb -0.16 -2.45 -0.03 0.00 -1.15 0.00 0.00 33.47 29.68 1ogy s TRP 14 CO -0.03 0.01 -0.24 -1.12 0.02 0.00 0.00 176.95 175.58 1ogy s SER 15 N 1.07 2.90 0.32 2.95 0.01 0.84 -4.91 113.70 116.89 1ogy s SER 15 Ca 0.15 -0.61 -0.28 0.00 1.31 0.00 0.00 55.95 56.53 1ogy s SER 15 Cb -0.14 -0.23 -0.09 0.00 0.21 0.00 0.00 66.02 65.76 1ogy s SER 15 CO 0.07 0.19 1.10 -0.75 0.41 0.00 0.00 173.24 174.25 1ogy s LYS 16 N -1.45 4.45 -0.27 12.44 2.20 -1.26 0.96 119.74 136.80 1ogy s LYS 16 Ca 0.10 1.74 -0.26 0.00 -0.36 0.00 0.00 55.97 57.18 1ogy s LYS 16 Cb -0.10 -2.96 0.16 0.00 -1.51 0.00 0.00 37.83 33.42 1ogy s LYS 16 CO 0.03 0.06 1.23 0.00 -0.36 0.00 0.00 175.35 176.31 1ogy s ALA 17 N -1.32 -2.08 0.15 3.13 0.00 -0.44 -4.61 121.76 116.59 1ogy s ALA 17 Ca 0.49 1.76 -0.25 0.00 0.00 0.00 0.00 51.96 53.96 1ogy s ALA 17 Cb -0.29 -1.48 -0.08 0.00 0.00 0.00 0.00 23.12 21.27 1ogy s ALA 17 CO 0.37 -0.19 0.77 -1.25 0.00 0.00 0.00 175.76 175.46 1ogy s PRO 18 N -0.22 4.55 0.24 0.00 0.04 -1.26 0.47 135.00 138.82 1ogy s PRO 18 Ca 0.05 1.13 -0.30 0.00 0.04 0.00 0.00 61.00 61.93 1ogy s PRO 18 Cb -0.04 -3.27 -0.15 0.00 0.04 0.00 0.00 34.50 31.09 1ogy s PRO 18 CO -0.09 0.56 1.03 0.00 0.04 0.00 0.00 177.00 178.53 1ogy n ARG 20 N 1.11 1.17 0.00 0.00 3.00 -1.26 -4.75 116.66 115.93 1ogy n ARG 20 Ca 0.12 -0.26 0.00 0.00 -0.00 0.00 0.00 57.85 57.71 1ogy n ARG 20 Cb 0.29 -1.11 0.00 0.00 0.00 0.00 0.00 32.46 31.63 1ogy n ARG 20 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1ogy n PHE 21 N -0.34 0.00 0.00 -0.14 0.99 -1.26 -4.83 117.46 111.88 1ogy n PHE 21 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.50 1ogy n PHE 21 Cb 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.56 1ogy n PHE 21 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1ogy n GLY 23 N 0.00 -0.84 0.15 0.00 0.00 0.24 -3.47 105.19 101.27 1ogy n GLY 23 Ca 0.00 -0.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 1ogy n GLY 23 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ogy h THR 24 N 0.45 0.81 -0.73 2.61 2.02 -1.83 -1.38 112.91 114.85 1ogy h THR 24 Ca 0.00 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1ogy h THR 24 Cb 0.13 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1ogy h THR 24 CO 0.00 0.04 0.00 0.61 0.37 0.00 0.00 175.52 176.54 1ogy n GLY 25 N -0.99 0.80 3.78 2.16 0.00 -1.23 -4.54 105.19 105.18 1ogy n GLY 25 Ca -0.09 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 1ogy n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ogy s GLY 27 N -2.09 2.57 0.17 0.00 0.00 -1.26 -1.40 107.32 105.32 1ogy s GLY 27 Ca 0.70 -0.08 0.10 0.00 0.00 0.00 0.00 44.72 45.44 1ogy s GLY 27 CO 0.31 0.37 -0.23 0.14 0.00 0.00 0.00 173.10 173.70 1ogy s VAL 28 N -0.92 2.16 -0.30 1.40 1.01 0.18 -1.65 120.40 122.27 1ogy s VAL 28 Ca 0.27 -1.94 -0.01 0.00 0.00 0.00 0.00 61.98 60.30 1ogy s VAL 28 Cb -0.18 -2.00 0.06 0.00 0.00 0.00 0.00 36.38 34.26 1ogy s VAL 28 CO 0.16 -0.14 -0.01 -0.04 0.00 0.00 0.00 175.10 175.07 1ogy s MET 29 N -2.58 2.33 -0.09 2.72 -1.94 0.09 -1.33 119.30 118.51 1ogy s MET 29 Ca 0.18 -1.34 -0.27 0.00 -1.71 0.00 0.00 55.69 52.55 1ogy s MET 29 Cb -0.08 -3.15 -0.02 0.00 2.01 0.00 0.00 34.83 33.59 1ogy s MET 29 CO 0.08 -0.65 0.88 0.08 -0.01 0.00 0.00 175.02 175.40 1ogy s VAL 30 N 1.20 4.89 -0.15 -6.03 1.01 0.27 -1.99 120.40 119.61 1ogy s VAL 30 Ca -0.05 1.80 -0.16 0.00 0.00 0.00 0.00 61.98 63.57 1ogy s VAL 30 Cb -0.20 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 1ogy s VAL 30 CO -0.02 0.11 0.39 -0.83 0.00 0.00 0.00 175.10 174.74 1ogy s GLY 31 N 1.02 2.27 -0.03 4.51 0.00 0.14 -0.11 107.32 115.13 1ogy s GLY 31 Ca 0.44 -0.35 0.04 0.00 0.00 0.00 0.00 44.72 44.85 1ogy s GLY 31 CO 0.19 0.64 -0.14 -1.59 0.00 0.00 0.00 173.10 172.20 1ogy s THR 32 N 0.67 1.17 -0.12 0.90 2.01 0.83 -0.56 115.64 120.54 1ogy s THR 32 Ca 0.21 -0.58 -0.07 0.00 0.31 0.00 0.00 61.69 61.57 1ogy s THR 32 Cb -0.14 -1.01 0.05 0.00 0.01 0.00 0.00 72.50 71.40 1ogy s THR 32 CO 0.07 0.34 0.28 -0.60 -0.69 0.00 0.00 174.62 174.03 1ogy s ARG 33 N 0.06 0.26 -1.43 4.92 3.52 0.48 -1.87 118.95 124.89 1ogy s ARG 33 Ca -0.03 0.57 -0.00 0.00 -0.13 0.00 0.00 55.73 56.13 1ogy s ARG 33 Cb -0.10 -0.07 0.00 0.00 -1.56 0.00 0.00 34.95 33.23 1ogy s ARG 33 CO 0.01 -0.15 0.37 -0.25 -0.81 0.00 0.00 175.30 174.47 1ogy n ASP 34 N 4.08 -0.18 -1.12 -2.12 9.92 -1.26 -0.60 116.55 125.27 1ogy n ASP 34 Ca -0.23 -1.04 -0.15 0.00 -0.53 0.00 0.00 54.79 52.83 1ogy n ASP 34 Cb 0.54 -2.85 -0.06 0.00 -0.64 0.00 0.00 41.12 38.11 1ogy n ASP 34 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ogy n GLY 35 N -2.06 1.50 3.14 0.44 0.00 -1.26 -4.99 105.19 101.97 1ogy n GLY 35 Ca -0.31 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.21 1ogy n GLY 35 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ogy s GLN 36 N -3.23 1.01 -0.26 1.61 -1.52 0.23 -4.53 119.66 112.97 1ogy s GLN 36 Ca 0.00 -0.70 -0.25 0.00 -1.95 0.00 0.00 55.36 52.46 1ogy s GLN 36 Cb 0.00 -1.01 -0.00 0.00 -0.22 0.00 0.00 33.01 31.78 1ogy s GLN 36 CO 0.00 0.26 0.84 0.08 -0.25 0.00 0.00 175.29 176.22 1ogy s VAL 37 N -0.71 4.81 -0.52 1.09 1.01 -1.26 -0.39 120.40 124.43 1ogy s VAL 37 Ca 0.03 1.53 0.04 0.00 0.00 0.00 0.00 61.98 63.58 1ogy s VAL 37 Cb -0.07 -4.14 0.05 0.00 0.00 0.00 0.00 36.38 32.21 1ogy s VAL 37 CO 0.01 -0.12 0.71 1.33 0.00 0.00 0.00 175.10 177.02 1ogy n VAL 38 N 5.33 0.15 -3.52 2.92 0.24 0.28 -4.95 118.33 118.78 1ogy n VAL 38 Ca 0.06 -0.58 -0.13 0.00 -2.04 0.00 0.00 64.34 61.65 1ogy n VAL 38 Cb 0.48 1.00 -0.04 0.00 -1.47 0.00 0.00 33.84 33.80 1ogy n VAL 38 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ogy s ALA 39 N -0.46 -1.81 -0.26 2.33 0.00 -1.20 -5.00 121.76 115.36 1ogy s ALA 39 Ca 0.06 1.25 -0.04 0.00 0.00 0.00 0.00 51.96 53.23 1ogy s ALA 39 Cb 0.04 -0.05 0.09 0.00 0.00 0.00 0.00 23.12 23.20 1ogy s ALA 39 CO 0.06 -0.46 0.15 0.99 0.00 0.00 0.00 175.76 176.50 1ogy s THR 40 N -1.84 -0.14 0.45 0.00 2.01 -1.26 -0.68 115.64 114.17 1ogy s THR 40 Ca -0.03 -0.53 0.07 0.00 0.31 0.00 0.00 61.69 61.50 1ogy s THR 40 Cb -0.00 -0.86 -0.03 0.00 0.01 0.00 0.00 72.50 71.62 1ogy s THR 40 CO 0.01 -0.55 0.25 -1.00 -0.69 0.00 0.00 174.62 172.63 1ogy s HIS 41 N 2.16 2.37 0.09 4.92 3.76 -0.84 -4.68 115.29 123.07 1ogy s HIS 41 Ca 0.07 -0.65 -0.25 0.00 -0.15 0.00 0.00 55.06 54.09 1ogy s HIS 41 Cb -0.16 -1.96 -0.06 0.00 1.11 0.00 0.00 32.58 31.50 1ogy s HIS 41 CO -0.28 -0.00 0.76 0.20 -0.85 0.00 0.00 174.74 174.57 1ogy s GLY 42 N -4.02 2.83 -0.72 -2.22 0.00 -1.26 -0.73 107.32 101.20 1ogy s GLY 42 Ca 0.38 0.30 -0.27 0.00 0.00 0.00 0.00 44.72 45.13 1ogy s GLY 42 CO 0.22 0.97 1.26 -0.35 0.00 0.00 0.00 173.10 175.20 1ogy s ASP 43 N -0.52 6.19 0.00 1.64 -1.08 -0.66 -4.42 116.67 117.83 1ogy s ASP 43 Ca 0.37 -0.41 0.11 0.00 -0.52 0.00 0.00 52.55 52.10 1ogy s ASP 43 Cb -0.21 -2.55 0.48 0.00 -1.46 0.00 0.00 42.92 39.17 1ogy s ASP 43 CO 0.24 -1.79 1.34 0.35 0.52 0.00 0.00 175.17 175.83 1ogy n THR 44 N 6.40 1.18 1.14 1.71 -2.24 -1.26 -1.55 114.28 119.65 1ogy n THR 44 Ca 0.03 0.29 0.13 0.00 -2.27 0.00 0.00 64.05 62.23 1ogy n THR 44 Cb 0.49 -1.11 0.21 0.00 -2.10 0.00 0.00 70.33 67.83 1ogy n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ogy n GLN 45 N -1.47 2.11 -3.19 -0.78 1.13 -1.26 -4.51 117.38 109.40 1ogy n GLN 45 Ca 0.03 -1.63 -0.39 0.00 -1.94 0.00 0.00 57.00 53.07 1ogy n GLN 45 Cb 0.12 -1.47 -0.05 0.00 0.11 0.00 0.00 30.24 28.95 1ogy n GLN 45 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ogy s ALA 46 N -2.02 3.43 0.26 -1.58 0.00 -0.74 -4.86 121.76 116.25 1ogy s ALA 46 Ca 0.30 -0.01 -0.00 0.00 0.00 0.00 0.00 51.96 52.25 1ogy s ALA 46 Cb 0.20 -2.78 0.35 0.00 0.00 0.00 0.00 23.12 20.89 1ogy s ALA 46 CO 0.32 0.01 1.72 0.93 0.00 0.00 0.00 175.76 178.74 1ogy h GLU 47 N 6.42 0.65 0.00 0.00 4.39 -1.89 -1.34 114.58 122.81 1ogy h GLU 47 Ca -0.42 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.06 1ogy h GLU 47 Cb 1.19 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1ogy h GLU 47 CO 0.74 0.77 0.00 0.28 -1.16 0.00 0.00 179.01 179.64 1ogy n VAL 48 N -4.16 0.00 -0.04 3.13 0.31 -1.26 -4.36 118.33 111.95 1ogy n VAL 48 Ca 0.01 1.50 -0.21 0.00 -0.01 0.00 0.00 64.34 65.63 1ogy n VAL 48 Cb 0.37 -2.37 -0.13 0.00 -0.91 0.00 0.00 33.84 30.79 1ogy n VAL 48 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1ogy n ASN 49 N -2.25 2.07 -2.79 4.52 6.94 -1.25 -5.01 115.26 117.49 1ogy n ASN 49 Ca 0.00 0.13 -0.07 0.00 -0.02 0.00 0.00 54.58 54.62 1ogy n ASN 49 Cb 0.00 -0.75 0.03 0.00 -2.36 0.00 0.00 39.78 36.71 1ogy n ASN 49 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1ogy n ARG 50 N -3.50 -1.46 -1.00 -3.83 5.12 -0.50 -3.81 116.66 107.69 1ogy n ARG 50 Ca -0.36 0.90 0.00 0.00 -1.93 0.00 0.00 57.85 56.46 1ogy n ARG 50 Cb 1.01 -4.83 0.00 0.00 -1.16 0.00 0.00 32.46 27.48 1ogy n ARG 50 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ogy n GLY 51 N -1.41 0.82 3.27 -0.13 0.00 -0.60 -4.73 105.19 102.41 1ogy n GLY 51 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1ogy n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ogy s LEU 52 N 0.00 2.06 0.00 0.99 1.02 -1.25 -4.31 118.68 117.19 1ogy s LEU 52 Ca 0.00 -0.50 0.01 0.00 0.02 0.00 0.00 54.13 53.66 1ogy s LEU 52 Cb 0.00 -1.35 -0.00 0.00 0.02 0.00 0.00 46.19 44.86 1ogy s LEU 52 CO 0.00 0.25 0.03 0.59 0.02 0.00 0.00 176.35 177.24 1ogy n ASN 53 N 2.88 1.05 -4.52 2.29 5.03 -1.26 -4.73 115.26 116.01 1ogy n ASN 53 Ca -0.17 -1.43 -0.30 0.00 0.87 0.00 0.00 54.58 53.55 1ogy n ASN 53 Cb 0.52 0.20 -0.08 0.00 -1.02 0.00 0.00 39.78 39.40 1ogy n ASN 53 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ogy h VAL 55 N 1.56 0.03 -0.77 0.00 2.07 -2.00 0.73 116.25 117.87 1ogy h VAL 55 Ca -0.41 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.26 1ogy h VAL 55 Cb 1.29 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 1ogy h VAL 55 CO 0.69 0.00 0.51 0.11 0.02 0.00 0.00 177.57 178.90 1ogy h LYS 56 N -0.18 0.42 0.26 1.57 1.57 -1.90 -2.46 116.57 115.86 1ogy h LYS 56 Ca 0.17 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1ogy h LYS 56 Cb 0.53 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1ogy h LYS 56 CO -0.78 0.28 -0.12 0.78 -0.57 0.00 0.00 179.45 179.04 1ogy h GLY 57 N 0.44 -0.36 1.93 3.86 0.00 0.09 -2.80 103.07 106.23 1ogy h GLY 57 Ca 0.38 0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.85 1ogy h GLY 57 CO -0.13 -0.13 0.03 -0.97 0.00 0.00 0.00 176.54 175.34 1ogy h TYR 58 N -0.64 0.00 -0.65 5.60 -1.99 -1.05 -1.43 116.97 116.81 1ogy h TYR 58 Ca -0.04 0.00 -0.24 0.00 2.00 0.00 0.00 58.73 60.45 1ogy h TYR 58 Cb 0.45 0.00 -0.14 0.00 2.00 0.00 0.00 36.73 39.04 1ogy h TYR 58 CO 0.02 0.00 0.31 1.19 -0.00 0.00 0.00 178.16 179.67 1ogy n PHE 59 N -4.07 2.10 0.18 4.88 3.01 -0.96 -4.14 117.46 118.47 1ogy n PHE 59 Ca -0.02 -1.16 0.03 0.00 1.01 0.00 0.00 57.45 57.31 1ogy n PHE 59 Cb 0.12 -0.65 0.37 0.00 -0.01 0.00 0.00 39.48 39.31 1ogy n PHE 59 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1ogy h LEU 60 N 1.88 0.02 -1.92 4.37 3.38 -1.13 -2.78 115.31 119.13 1ogy h LEU 60 Ca 0.30 -0.01 0.21 0.00 0.09 0.00 0.00 57.88 58.47 1ogy h LEU 60 Cb 2.15 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 42.86 1ogy h LEU 60 CO 0.68 0.36 0.55 0.77 0.09 0.00 0.00 178.44 180.88 1ogy h SER 61 N 0.02 0.07 -0.74 -0.43 4.64 -1.82 -1.90 113.55 113.39 1ogy h SER 61 Ca -0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1ogy h SER 61 Cb 0.61 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1ogy h SER 61 CO 0.04 0.03 0.00 0.29 -0.87 0.00 0.00 176.83 176.32 1ogy n LYS 62 N -4.34 2.75 0.09 4.77 5.02 -1.05 -4.57 118.16 120.83 1ogy n LYS 62 Ca 0.16 -2.68 -0.14 0.00 -2.02 0.00 0.00 58.31 53.62 1ogy n LYS 62 Cb 0.79 -1.58 -0.10 0.00 -0.02 0.00 0.00 35.03 34.12 1ogy n LYS 62 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1ogy h ILE 63 N 4.32 1.48 -0.30 -0.18 2.04 -1.46 -3.27 117.51 120.15 1ogy h ILE 63 Ca 0.00 -2.87 0.00 0.00 1.00 0.00 0.00 64.86 62.99 1ogy h ILE 63 Cb 1.00 2.77 0.00 0.00 -0.74 0.00 0.00 36.82 39.85 1ogy h ILE 63 CO 0.00 0.84 0.00 0.23 0.00 0.00 0.00 178.15 179.23 1ogy n MET 64 N -3.60 1.88 -0.30 2.37 0.00 -1.26 -4.41 117.12 111.80 1ogy n MET 64 Ca -0.07 -1.35 0.08 0.00 0.00 0.00 0.00 57.70 56.36 1ogy n MET 64 Cb 0.95 -1.36 0.20 0.00 0.00 0.00 0.00 33.22 33.02 1ogy n MET 64 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1ogy n TYR 65 N 0.58 0.63 -1.75 2.03 0.53 -1.23 -4.93 117.16 113.01 1ogy n TYR 65 Ca 0.15 -0.82 -0.35 0.00 -1.02 0.00 0.00 57.90 55.85 1ogy n TYR 65 Cb 0.35 -0.22 0.06 0.00 -1.03 0.00 0.00 39.34 38.50 1ogy n TYR 65 CO 0.00 0.00 0.00 0.20 -1.02 0.00 0.00 176.86 176.04 1ogy s GLY 66 N -1.93 2.61 0.00 2.72 0.00 -1.26 -4.86 107.32 104.60 1ogy s GLY 66 Ca 0.35 0.99 0.20 0.00 0.00 0.00 0.00 44.72 46.26 1ogy s GLY 66 CO 0.08 1.40 1.61 -1.84 0.00 0.00 0.00 173.10 174.35 1ogy n GLU 67 N -2.07 0.49 0.07 2.90 0.28 -1.26 -2.98 120.64 118.07 1ogy n GLU 67 Ca 0.14 0.04 -0.02 0.00 -0.16 0.00 0.00 57.16 57.16 1ogy n GLU 67 Cb 0.50 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.80 1ogy n GLU 67 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1ogy h ASP 68 N 0.00 0.00 0.00 -1.84 3.32 -1.95 -3.48 116.42 112.47 1ogy h ASP 68 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ogy h ASP 68 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1ogy h ASP 68 CO 0.00 0.71 0.00 0.54 -1.72 0.00 0.00 179.24 178.77 1ogy n ARG 69 N -3.15 0.00 -1.75 3.56 5.12 -1.16 -4.67 116.66 114.61 1ogy n ARG 69 Ca -0.04 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.47 1ogy n ARG 69 Cb 0.85 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 32.14 1ogy n ARG 69 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1ogy s LEU 70 N 0.00 4.34 0.00 0.55 1.43 -1.07 -4.90 118.68 119.03 1ogy s LEU 70 Ca 0.00 2.97 0.00 0.00 -1.03 0.00 0.00 54.13 56.07 1ogy s LEU 70 Cb 0.00 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.59 1ogy s LEU 70 CO 0.00 -0.94 0.00 0.35 0.23 0.00 0.00 176.35 175.99 1ogy n THR 71 N 2.26 0.00 -3.90 5.49 -2.24 -1.26 -4.67 114.28 109.96 1ogy n THR 71 Ca 0.09 -0.30 -0.11 0.00 -2.27 0.00 0.00 64.05 61.46 1ogy n THR 71 Cb 0.37 0.83 -0.13 0.00 -2.10 0.00 0.00 70.33 69.30 1ogy n THR 71 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ogy s THR 72 N -1.09 0.04 0.56 4.28 2.01 -1.26 -1.31 115.64 118.87 1ogy s THR 72 Ca 0.00 -0.28 -0.21 0.00 0.31 0.00 0.00 61.69 61.52 1ogy s THR 72 Cb 0.00 -0.09 -0.04 0.00 0.01 0.00 0.00 72.50 72.38 1ogy s THR 72 CO 0.00 -0.15 1.30 -2.84 -0.69 0.00 0.00 174.62 172.24 1ogy s PRO 73 N -0.44 3.08 -0.24 4.92 0.02 -1.25 -4.60 135.00 136.49 1ogy s PRO 73 Ca -0.05 2.08 0.01 0.00 0.02 0.00 0.00 61.00 63.06 1ogy s PRO 73 Cb -0.03 -2.14 0.06 0.00 0.02 0.00 0.00 34.50 32.41 1ogy s PRO 73 CO -0.00 -1.19 -0.04 -0.51 -0.33 0.00 0.00 177.00 174.92 1ogy s LEU 74 N -3.71 2.55 0.15 -5.54 2.01 -0.56 -2.40 118.68 111.18 1ogy s LEU 74 Ca 0.74 -1.19 0.00 0.00 0.01 0.00 0.00 54.13 53.69 1ogy s LEU 74 Cb -0.37 -1.16 -0.04 0.00 0.01 0.00 0.00 46.19 44.63 1ogy s LEU 74 CO 0.42 -0.24 0.32 -0.22 1.01 0.00 0.00 176.35 177.63 1ogy s LEU 75 N 1.41 4.29 -1.24 1.79 2.96 -0.63 -1.95 118.68 125.32 1ogy s LEU 75 Ca -0.05 0.32 -0.18 0.00 -0.22 0.00 0.00 54.13 54.00 1ogy s LEU 75 Cb -0.19 -3.06 0.09 0.00 0.50 0.00 0.00 46.19 43.53 1ogy s LEU 75 CO -0.07 0.04 1.63 -0.13 -1.32 0.00 0.00 176.35 176.50 1ogy s ARG 76 N -3.06 3.94 0.00 1.98 0.52 -1.01 0.04 118.95 121.36 1ogy s ARG 76 Ca 0.37 -1.98 0.00 0.00 -0.52 0.00 0.00 55.73 53.60 1ogy s ARG 76 Cb -0.12 -5.41 0.00 0.00 0.52 0.00 0.00 34.95 29.94 1ogy s ARG 76 CO 0.28 -2.15 0.00 -1.33 0.02 0.00 0.00 175.30 172.12 1ogy n MET 77 N 7.93 0.00 0.13 3.54 2.81 -1.19 -1.41 117.12 128.93 1ogy n MET 77 Ca 0.44 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 56.28 1ogy n MET 77 Cb 0.46 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.95 1ogy n MET 77 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1ogy h LYS 78 N 0.00 -0.33 -6.05 0.03 3.64 -1.82 -3.37 116.57 108.66 1ogy h LYS 78 Ca 0.00 0.02 -0.55 0.00 -1.27 0.00 0.00 60.65 58.86 1ogy h LYS 78 Cb 0.00 0.08 -0.18 0.00 -0.41 0.00 0.00 32.23 31.72 1ogy h LYS 78 CO 0.00 -0.22 -0.79 -0.51 -2.27 0.00 0.00 179.45 175.66 1ogy s ASP 79 N -2.80 2.85 0.00 4.20 1.11 -1.26 -4.50 116.67 116.27 1ogy s ASP 79 Ca -0.05 -0.87 0.00 0.00 0.18 0.00 0.00 52.55 51.81 1ogy s ASP 79 Cb 0.01 -0.18 0.00 0.00 1.07 0.00 0.00 42.92 43.81 1ogy s ASP 79 CO 0.15 -0.01 0.00 0.61 1.18 0.00 0.00 175.17 177.10 1ogy n GLY 80 N 0.23 1.00 0.00 0.21 0.00 -1.26 -4.85 105.19 100.52 1ogy n GLY 80 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1ogy n GLY 80 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ogy n VAL 81 N -0.57 0.00 0.00 1.61 0.31 -1.26 -4.89 118.33 113.52 1ogy n VAL 81 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ogy n VAL 81 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1ogy n VAL 81 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ogy n TYR 82 N 0.00 0.00 -3.85 3.52 9.36 -1.26 -4.64 117.16 120.28 1ogy n TYR 82 Ca 0.00 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.03 1ogy n TYR 82 Cb 0.00 0.00 -0.17 0.00 -0.63 0.00 0.00 39.34 38.54 1ogy n TYR 82 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 1ogy s HIS 83 N 0.00 0.38 -0.39 2.98 5.65 -0.50 -5.02 115.29 118.39 1ogy s HIS 83 Ca 0.00 -0.00 -0.29 0.00 0.25 0.00 0.00 55.06 55.02 1ogy s HIS 83 Cb 0.00 -0.53 0.00 0.00 -1.18 0.00 0.00 32.58 30.87 1ogy s HIS 83 CO 0.00 -0.19 1.50 0.21 -0.65 0.00 0.00 174.74 175.61 1ogy s LYS 84 N 1.46 3.53 0.00 2.88 2.20 -1.26 -0.26 119.74 128.29 1ogy s LYS 84 Ca -0.04 1.07 0.00 0.00 -0.36 0.00 0.00 55.97 56.65 1ogy s LYS 84 Cb -0.13 -4.06 0.00 0.00 -1.51 0.00 0.00 37.83 32.13 1ogy s LYS 84 CO -0.03 -1.62 0.00 -1.91 -0.36 0.00 0.00 175.35 171.43 1ogy n GLU 85 N 8.14 0.00 0.00 4.03 2.13 -1.26 -5.04 120.64 128.63 1ogy n GLU 85 Ca 0.18 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.00 1ogy n GLU 85 Cb 0.48 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.19 1ogy n GLU 85 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ogy n GLY 86 N 0.00 1.28 0.00 8.31 0.00 0.65 -5.13 105.19 110.29 1ogy n GLY 86 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1ogy n GLY 86 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ogy n GLU 87 N 0.00 2.20 -4.28 1.61 1.02 -1.26 -4.96 120.64 114.97 1ogy n GLU 87 Ca 0.00 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.88 1ogy n GLU 87 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 31.44 31.25 1ogy n GLU 87 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1ogy s PHE 88 N -0.77 1.53 0.06 -0.32 0.40 -1.26 -3.19 117.98 114.43 1ogy s PHE 88 Ca 0.00 -0.67 0.05 0.00 -0.60 0.00 0.00 56.93 55.71 1ogy s PHE 88 Cb 0.00 -1.18 -0.03 0.00 0.51 0.00 0.00 43.02 42.33 1ogy s PHE 88 CO 0.00 -0.40 -0.15 0.00 0.70 0.00 0.00 175.22 175.37 1ogy s ALA 89 N 1.13 1.24 0.84 5.36 0.00 0.11 -4.88 121.76 125.56 1ogy s ALA 89 Ca -0.05 -0.94 -0.13 0.00 0.00 0.00 0.00 51.96 50.84 1ogy s ALA 89 Cb -0.14 -0.16 0.09 0.00 0.00 0.00 0.00 23.12 22.91 1ogy s ALA 89 CO -0.02 0.21 1.09 -2.30 0.00 0.00 0.00 175.76 174.75 1ogy n PRO 90 N 1.58 0.01 -3.64 0.00 -0.02 -1.26 -1.60 135.00 130.07 1ogy n PRO 90 Ca -0.19 0.08 -0.07 0.00 -2.02 0.00 0.00 63.50 61.30 1ogy n PRO 90 Cb 0.54 -2.35 -0.07 0.00 -0.02 0.00 0.00 33.50 31.61 1ogy n PRO 90 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ogy s VAL 91 N -2.24 0.00 0.95 -1.45 0.11 -1.01 -4.75 120.40 112.00 1ogy s VAL 91 Ca 0.70 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.65 1ogy s VAL 91 Cb -0.28 -1.00 0.16 0.00 -1.53 0.00 0.00 36.38 33.74 1ogy s VAL 91 CO 0.54 0.00 1.12 -0.55 -3.33 0.00 0.00 175.10 172.88 1ogy s SER 92 N 0.15 2.67 0.07 3.54 0.15 -1.26 -3.82 113.70 115.20 1ogy s SER 92 Ca 0.05 2.04 -0.24 0.00 0.70 0.00 0.00 55.95 58.50 1ogy s SER 92 Cb -0.05 -2.51 -0.16 0.00 -1.71 0.00 0.00 66.02 61.58 1ogy s SER 92 CO -0.10 -3.23 1.64 -0.50 1.20 0.00 0.00 173.24 172.25 1ogy h TRP 93 N -1.96 -0.10 -0.24 3.44 4.06 -1.98 0.20 115.95 119.37 1ogy h TRP 93 Ca -0.46 -0.00 0.06 0.00 2.06 0.00 0.00 58.89 60.54 1ogy h TRP 93 Cb 1.28 0.03 -0.07 0.00 -1.00 0.00 0.00 29.16 29.40 1ogy h TRP 93 CO 0.47 0.01 -0.26 -0.44 -3.56 0.00 0.00 178.44 174.66 1ogy h ASP 94 N -0.19 -0.84 -0.14 -3.49 3.32 -1.99 0.33 116.42 113.43 1ogy h ASP 94 Ca -0.01 0.15 0.04 0.00 0.02 0.00 0.00 57.03 57.23 1ogy h ASP 94 Cb 0.16 0.39 -0.05 0.00 0.22 0.00 0.00 39.33 40.05 1ogy h ASP 94 CO 0.02 -0.30 -0.15 -0.33 -1.72 0.00 0.00 179.24 176.76 1ogy h GLU 95 N -0.27 -0.17 -0.79 3.56 5.08 -1.86 0.34 114.58 120.46 1ogy h GLU 95 Ca 0.13 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.64 1ogy h GLU 95 Cb 0.48 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.68 1ogy h GLU 95 CO -0.40 -0.12 0.37 0.00 -1.00 0.00 0.00 179.01 177.87 1ogy h ALA 96 N 0.89 1.15 -0.14 3.43 0.00 0.61 -1.07 119.26 124.13 1ogy h ALA 96 Ca 0.10 0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.89 1ogy h ALA 96 Cb 0.32 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ogy h ALA 96 CO -0.24 -0.13 -0.73 0.74 0.00 0.00 0.00 179.25 178.89 1ogy h PHE 97 N 0.55 0.85 -0.24 0.00 0.04 0.36 -2.18 116.94 116.32 1ogy h PHE 97 Ca 0.43 -0.37 0.06 0.00 2.80 0.00 0.00 57.97 60.89 1ogy h PHE 97 Cb 0.60 -0.13 -0.07 0.00 2.20 0.00 0.00 35.95 38.54 1ogy h PHE 97 CO -0.12 1.16 -0.22 -0.44 -0.60 0.00 0.00 178.31 178.09 1ogy h ASP 98 N 0.44 -0.70 -0.43 2.17 3.45 0.86 0.76 116.42 122.98 1ogy h ASP 98 Ca -0.04 0.13 -0.07 0.00 0.43 0.00 0.00 57.03 57.48 1ogy h ASP 98 Cb 1.33 0.33 -0.02 0.00 -0.56 0.00 0.00 39.33 40.42 1ogy h ASP 98 CO 0.14 -0.26 -0.02 0.58 -1.57 0.00 0.00 179.24 178.12 1ogy h VAL 99 N -0.22 1.26 0.00 -1.35 2.07 -1.33 -2.13 116.25 114.55 1ogy h VAL 99 Ca 0.14 -1.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.54 1ogy h VAL 99 Cb 0.43 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1ogy h VAL 99 CO -0.37 0.36 -0.26 -0.03 0.02 0.00 0.00 177.57 177.29 1ogy h MET 100 N 0.60 0.00 0.19 1.57 -1.53 -0.88 -2.21 114.93 112.67 1ogy h MET 100 Ca 0.12 0.00 -0.28 0.00 -3.44 0.00 0.00 59.70 56.10 1ogy h MET 100 Cb 0.51 0.00 0.02 0.00 -0.55 0.00 0.00 31.60 31.59 1ogy h MET 100 CO 0.03 0.26 -1.26 0.00 0.14 0.00 0.00 176.91 176.07 1ogy h ALA 101 N 1.74 -0.07 -0.13 0.39 0.00 0.69 -3.13 119.26 118.75 1ogy h ALA 101 Ca -0.00 -0.86 0.02 0.00 0.00 0.00 0.00 54.91 54.06 1ogy h ALA 101 Cb 0.71 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1ogy h ALA 101 CO 0.03 0.63 0.03 0.00 0.00 0.00 0.00 179.25 179.94 1ogy h ALA 102 N 0.10 0.13 -0.79 0.00 0.00 -1.23 -0.05 119.26 117.41 1ogy h ALA 102 Ca -0.23 0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.78 1ogy h ALA 102 Cb 1.93 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.68 1ogy h ALA 102 CO 0.20 -0.42 0.45 1.96 0.00 0.00 0.00 179.25 181.43 1ogy h GLN 103 N 0.08 0.76 0.31 0.00 1.08 -1.53 -2.05 115.11 113.77 1ogy h GLN 103 Ca 0.06 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 1ogy h GLN 103 Cb 0.05 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.31 1ogy h GLN 103 CO -0.07 0.50 -0.17 0.00 -0.95 0.00 0.00 178.83 178.14 1ogy h ALA 104 N 1.42 -1.08 -0.98 3.87 0.00 -1.33 -2.55 119.26 118.61 1ogy h ALA 104 Ca 0.37 -0.09 0.27 0.00 0.00 0.00 0.00 54.91 55.45 1ogy h ALA 104 Cb 0.29 0.23 -0.18 0.00 0.00 0.00 0.00 17.79 18.12 1ogy h ALA 104 CO -0.22 -1.05 0.02 0.87 0.00 0.00 0.00 179.25 178.86 1ogy h LYS 105 N -0.44 0.01 0.27 0.00 1.57 -0.83 0.88 116.57 118.03 1ogy h LYS 105 Ca -0.04 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1ogy h LYS 105 Cb 0.34 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 1ogy h LYS 105 CO 0.06 0.01 -0.18 1.25 -0.57 0.00 0.00 179.45 180.02 1ogy h LEU 106 N 0.01 -0.46 -1.05 2.94 5.85 -1.31 -2.79 115.31 118.51 1ogy h LEU 106 Ca 0.59 0.03 0.28 0.00 0.84 0.00 0.00 57.88 59.62 1ogy h LEU 106 Cb 1.20 0.14 -0.13 0.00 0.37 0.00 0.00 40.66 42.24 1ogy h LEU 106 CO -0.92 -0.27 0.60 0.58 -0.34 0.00 0.00 178.44 178.09 1ogy h VAL 107 N -0.42 0.44 0.00 1.05 2.07 -0.89 0.47 116.25 118.97 1ogy h VAL 107 Ca -0.04 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1ogy h VAL 107 Cb 0.34 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1ogy h VAL 107 CO 0.03 0.08 0.00 -0.11 0.02 0.00 0.00 177.57 177.59 1ogy n LEU 108 N -4.92 1.06 0.00 2.57 7.94 0.22 -1.30 117.00 122.57 1ogy n LEU 108 Ca 0.29 -0.53 0.00 0.00 -1.11 0.00 0.00 56.01 54.66 1ogy n LEU 108 Cb 0.86 -0.36 0.00 0.00 0.53 0.00 0.00 43.42 44.45 1ogy n LEU 108 CO 0.15 0.22 0.00 0.29 -1.11 0.00 0.00 177.39 176.94 1ogy n LYS 109 N 0.25 3.03 -0.10 1.96 4.76 0.16 -4.54 118.16 123.67 1ogy n LYS 109 Ca 0.00 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.30 1ogy n LYS 109 Cb 0.22 -0.25 -0.14 0.00 -1.84 0.00 0.00 35.03 33.02 1ogy n LYS 109 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1ogy n GLU 110 N 0.00 0.67 0.00 1.97 1.02 -0.87 -4.71 120.64 118.73 1ogy n GLU 110 Ca 0.00 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1ogy n GLU 110 Cb 0.00 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 29.87 1ogy n GLU 110 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ogy n LYS 111 N -3.04 2.98 0.00 3.49 5.02 -0.94 -5.11 118.16 120.56 1ogy n LYS 111 Ca -0.38 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.91 1ogy n LYS 111 Cb 1.07 -0.36 0.00 0.00 -0.02 0.00 0.00 35.03 35.73 1ogy n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ogy n ALA 112 N -0.42 0.00 -0.33 7.82 0.00 -0.42 -4.35 120.51 122.81 1ogy n ALA 112 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 1ogy n ALA 112 Cb 0.00 0.00 0.36 0.00 0.00 0.00 0.00 19.45 19.81 1ogy n ALA 112 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ogy h PRO 113 N 0.00 0.03 -0.07 0.00 0.13 -1.85 0.24 132.00 130.48 1ogy h PRO 113 Ca 0.00 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ogy h PRO 113 Cb 0.00 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.12 1ogy h PRO 113 CO 0.00 0.02 0.00 0.39 -0.23 0.00 0.00 178.00 178.18 1ogy n GLU 114 N -5.41 0.29 0.00 0.86 1.02 -1.26 -1.53 120.64 114.62 1ogy n GLU 114 Ca 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 1ogy n GLU 114 Cb 0.88 -1.04 0.00 0.00 -0.02 0.00 0.00 31.44 31.27 1ogy n GLU 114 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ogy n ALA 115 N -0.29 1.86 -2.69 0.62 0.00 0.84 -4.61 120.51 116.24 1ogy n ALA 115 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1ogy n ALA 115 Cb 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.42 1ogy n ALA 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1ogy s VAL 116 N -1.29 5.22 -0.09 0.00 -7.23 -0.58 0.02 120.40 116.44 1ogy s VAL 116 Ca 0.00 0.23 -0.15 0.00 -1.81 0.00 0.00 61.98 60.25 1ogy s VAL 116 Cb 0.00 -3.60 0.03 0.00 0.56 0.00 0.00 36.38 33.37 1ogy s VAL 116 CO 0.00 0.29 0.37 -0.83 -0.31 0.00 0.00 175.10 174.62 1ogy s GLY 117 N -1.84 -0.25 0.17 2.32 0.00 -0.30 -4.66 107.32 102.76 1ogy s GLY 117 Ca 0.31 0.82 0.11 0.00 0.00 0.00 0.00 44.72 45.96 1ogy s GLY 117 CO 0.18 0.64 -0.24 1.06 0.00 0.00 0.00 173.10 174.74 1ogy s MET 118 N -0.40 1.53 -0.36 2.90 -1.94 -0.69 -0.97 119.30 119.37 1ogy s MET 118 Ca -0.05 -1.44 -0.00 0.00 -1.71 0.00 0.00 55.69 52.49 1ogy s MET 118 Cb -0.03 -1.90 0.12 0.00 2.01 0.00 0.00 34.83 35.03 1ogy s MET 118 CO 0.02 0.42 0.17 0.12 -0.01 0.00 0.00 175.02 175.75 1ogy s PHE 119 N -1.45 1.41 0.00 -0.03 5.36 -0.53 -1.96 117.98 120.79 1ogy s PHE 119 Ca 0.19 -1.84 0.00 0.00 -0.96 0.00 0.00 56.93 54.32 1ogy s PHE 119 Cb -0.09 -1.50 0.00 0.00 -0.34 0.00 0.00 43.02 41.10 1ogy s PHE 119 CO 0.09 -0.83 0.00 0.41 -1.46 0.00 0.00 175.22 173.43 1ogy n GLY 120 N 4.28 0.23 3.34 13.12 0.00 -0.30 -1.47 105.19 124.39 1ogy n GLY 120 Ca 0.04 -1.82 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 1ogy n GLY 120 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ogy s SER 121 N -1.00 -0.30 0.00 1.61 1.04 -1.24 -1.21 113.70 112.60 1ogy s SER 121 Ca 0.00 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1ogy s SER 121 Cb 0.00 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1ogy s SER 121 CO 0.00 -0.78 0.48 0.61 0.98 0.00 0.00 173.24 174.54 1ogy n GLY 122 N 0.11 0.60 0.13 7.32 0.00 -1.26 -0.76 105.19 111.32 1ogy n GLY 122 Ca -0.17 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.87 1ogy n GLY 122 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ogy n GLN 123 N -0.05 1.79 -2.42 1.61 6.02 -1.26 -0.00 117.38 123.06 1ogy n GLN 123 Ca 0.00 -0.51 -0.33 0.00 -0.01 0.00 0.00 57.00 56.14 1ogy n GLN 123 Cb 0.13 -0.96 -0.03 0.00 1.02 0.00 0.00 30.24 30.41 1ogy n GLN 123 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1ogy s TRP 124 N -0.77 3.05 0.74 1.08 0.51 0.06 -4.96 118.94 118.64 1ogy s TRP 124 Ca 0.04 1.55 -0.11 0.00 -2.12 0.00 0.00 56.10 55.47 1ogy s TRP 124 Cb 0.04 -3.01 0.03 0.00 -0.81 0.00 0.00 33.47 29.72 1ogy s TRP 124 CO 0.11 -0.82 1.07 0.99 -0.51 0.00 0.00 176.95 177.79 1ogy s THR 125 N -2.17 3.68 0.18 2.01 2.01 -1.26 -4.79 115.64 115.30 1ogy s THR 125 Ca 0.65 0.54 -0.16 0.00 0.31 0.00 0.00 61.69 63.03 1ogy s THR 125 Cb -0.15 -3.21 0.15 0.00 0.01 0.00 0.00 72.50 69.30 1ogy s THR 125 CO 0.25 -0.71 1.64 0.40 -0.69 0.00 0.00 174.62 175.51 1ogy h ILE 126 N -0.90 0.46 0.00 1.82 2.04 -1.55 0.59 117.51 119.97 1ogy h ILE 126 Ca -0.44 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.42 1ogy h ILE 126 Cb 1.23 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1ogy h ILE 126 CO 0.56 0.00 0.00 -2.67 0.00 0.00 0.00 178.15 176.04 1ogy n TRP 127 N -5.37 0.35 0.14 1.37 2.14 -1.26 -2.09 117.44 112.71 1ogy n TRP 127 Ca 0.04 0.12 -0.23 0.00 2.07 0.00 0.00 57.50 59.50 1ogy n TRP 127 Cb 0.28 -0.69 -0.15 0.00 -0.81 0.00 0.00 31.31 29.93 1ogy n TRP 127 CO 0.00 0.00 0.00 0.93 2.07 0.00 0.00 177.69 180.69 1ogy h GLU 128 N 0.00 0.49 0.00 -2.67 5.08 -1.27 -1.54 114.58 114.67 1ogy h GLU 128 Ca 0.00 -0.83 -0.02 0.00 -1.00 0.00 0.00 59.36 57.51 1ogy h GLU 128 Cb 0.44 0.31 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 1ogy h GLU 128 CO 0.00 1.40 -0.10 0.78 -1.00 0.00 0.00 179.01 180.08 1ogy h GLY 129 N 0.48 0.00 0.09 -3.84 0.00 -1.15 -1.55 103.07 97.09 1ogy h GLY 129 Ca -0.23 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 1ogy h GLY 129 CO 0.26 0.00 -0.02 -1.82 0.00 0.00 0.00 176.54 174.97 1ogy h TYR 130 N 0.00 -0.04 -0.77 5.60 -0.00 -1.42 -0.96 116.97 119.37 1ogy h TYR 130 Ca -0.00 -0.00 0.14 0.00 -0.00 0.00 0.00 58.73 58.87 1ogy h TYR 130 Cb 0.89 0.01 -0.05 0.00 -0.00 0.00 0.00 36.73 37.58 1ogy h TYR 130 CO 0.00 0.55 0.51 0.00 -0.00 0.00 0.00 178.16 179.22 1ogy h ALA 131 N -0.33 2.03 -0.06 1.82 0.00 -1.29 0.06 119.26 121.49 1ogy h ALA 131 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1ogy h ALA 131 Cb 0.61 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ogy h ALA 131 CO 0.01 -0.23 -0.12 0.00 0.00 0.00 0.00 179.25 178.91 1ogy h ALA 132 N 1.64 0.10 -0.38 0.00 0.00 -1.29 -1.44 119.26 117.88 1ogy h ALA 132 Ca 0.37 -0.34 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1ogy h ALA 132 Cb 0.76 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 1ogy h ALA 132 CO -0.13 -0.02 0.03 1.03 0.00 0.00 0.00 179.25 180.15 1ogy h SER 133 N -0.31 -0.10 0.22 0.00 0.87 0.17 -0.09 113.55 114.31 1ogy h SER 133 Ca 0.00 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1ogy h SER 133 Cb 0.71 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.79 1ogy h SER 133 CO 0.03 -0.02 -0.22 0.50 -0.53 0.00 0.00 176.83 176.59 1ogy h LYS 134 N 0.13 -0.46 -0.84 2.24 3.64 -1.05 -1.23 116.57 119.01 1ogy h LYS 134 Ca 0.19 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.64 1ogy h LYS 134 Cb 0.25 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.12 1ogy h LYS 134 CO -0.29 -0.31 0.53 1.25 -2.27 0.00 0.00 179.45 178.37 1ogy h LEU 135 N -0.48 0.87 -0.53 5.20 5.85 -0.70 0.13 115.31 125.66 1ogy h LEU 135 Ca -0.00 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 1ogy h LEU 135 Cb 0.44 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1ogy h LEU 135 CO -0.05 0.59 -0.54 0.24 -0.34 0.00 0.00 178.44 178.34 1ogy h MET 136 N 1.02 0.56 0.00 1.25 2.86 -0.84 -0.99 114.93 118.78 1ogy h MET 136 Ca 0.35 -0.35 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1ogy h MET 136 Cb 0.06 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1ogy h MET 136 CO -0.13 0.95 -1.11 0.54 1.06 0.00 0.00 176.91 178.22 1ogy n ARG 137 N -3.96 0.53 0.21 1.72 1.74 -0.48 0.53 116.66 116.95 1ogy n ARG 137 Ca -0.03 0.25 0.06 0.00 -0.77 0.00 0.00 57.85 57.36 1ogy n ARG 137 Cb 0.60 -1.46 0.49 0.00 -1.02 0.00 0.00 32.46 31.06 1ogy n ARG 137 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ogy h ALA 138 N -0.99 1.34 -3.00 7.54 0.00 -0.94 -1.62 119.26 121.59 1ogy h ALA 138 Ca -0.07 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ogy h ALA 138 Cb 1.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1ogy h ALA 138 CO -0.04 0.34 0.00 0.41 0.00 0.00 0.00 179.25 179.95 1ogy n GLY 139 N -0.50 1.11 0.00 0.00 0.00 -0.86 -4.53 105.19 100.41 1ogy n GLY 139 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.06 1ogy n GLY 139 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ogy n PHE 140 N 0.00 0.00 -3.79 1.61 0.99 -0.39 -4.76 117.46 111.12 1ogy n PHE 140 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.45 57.22 1ogy n PHE 140 Cb 0.00 -0.01 0.02 0.00 -1.00 0.00 0.00 39.48 38.49 1ogy n PHE 140 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1ogy n ARG 141 N -1.01 -4.48 -4.27 -1.08 1.74 -0.61 -4.63 116.66 102.32 1ogy n ARG 141 Ca 0.09 0.56 -0.20 0.00 -0.77 0.00 0.00 57.85 57.52 1ogy n ARG 141 Cb 0.04 -5.02 -0.16 0.00 -1.02 0.00 0.00 32.46 26.31 1ogy n ARG 141 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1ogy s SER 142 N -4.29 1.08 -0.29 0.55 0.15 0.19 -4.73 113.70 106.37 1ogy s SER 142 Ca 0.05 -0.16 0.10 0.00 0.70 0.00 0.00 55.95 56.64 1ogy s SER 142 Cb -0.03 -0.47 0.70 0.00 -1.71 0.00 0.00 66.02 64.52 1ogy s SER 142 CO 0.84 -0.01 1.71 0.59 1.20 0.00 0.00 173.24 177.56 1ogy n ASN 143 N 3.82 4.76 -1.65 5.45 3.02 -1.26 -3.54 115.26 125.86 1ogy n ASN 143 Ca -0.23 -3.07 -0.09 0.00 -0.03 0.00 0.00 54.58 51.16 1ogy n ASN 143 Cb 0.52 -0.72 0.03 0.00 -0.61 0.00 0.00 39.78 38.99 1ogy n ASN 143 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ogy n ASN 144 N 0.02 5.47 -4.33 6.41 5.03 -1.26 -3.01 115.26 123.59 1ogy n ASN 144 Ca 0.36 -2.72 -0.38 0.00 0.87 0.00 0.00 54.58 52.71 1ogy n ASN 144 Cb 1.28 -1.00 -0.12 0.00 -1.02 0.00 0.00 39.78 38.92 1ogy n ASN 144 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1ogy s LEU 145 N -1.01 4.09 0.08 3.41 2.96 -1.26 -1.70 118.68 125.25 1ogy s LEU 145 Ca 0.17 -0.87 0.04 0.00 -0.22 0.00 0.00 54.13 53.25 1ogy s LEU 145 Cb 0.14 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 1ogy s LEU 145 CO 0.00 -0.25 -0.11 -0.62 -1.32 0.00 0.00 176.35 174.05 1ogy s ASP 146 N 1.48 1.41 0.46 3.68 3.68 -0.83 -0.14 116.67 126.41 1ogy s ASP 146 Ca 0.01 -0.72 0.07 0.00 2.13 0.00 0.00 52.55 54.05 1ogy s ASP 146 Cb -0.18 -0.00 0.01 0.00 -1.45 0.00 0.00 42.92 41.29 1ogy s ASP 146 CO 0.03 -0.20 0.45 -2.16 0.13 0.00 0.00 175.17 173.41 1ogy s PRO 147 N -2.32 2.47 0.38 4.34 0.04 -1.05 -1.15 135.00 137.73 1ogy s PRO 147 Ca 0.01 -1.62 0.28 0.00 0.04 0.00 0.00 61.00 59.70 1ogy s PRO 147 Cb -0.06 -2.38 1.12 0.00 0.04 0.00 0.00 34.50 33.21 1ogy s PRO 147 CO 0.01 -0.36 1.83 -2.95 0.04 0.00 0.00 177.00 175.56 1ogy h ASN 148 N 0.84 0.00 0.24 6.66 -1.07 -1.49 -2.35 115.58 118.40 1ogy h ASN 148 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.98 1ogy h ASN 148 Cb 1.28 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.53 1ogy h ASN 148 CO 0.54 0.00 0.00 0.00 0.07 0.00 0.00 177.43 178.04 1ogy n ALA 149 N -1.91 1.26 0.11 4.14 0.00 -1.26 -0.31 120.51 122.54 1ogy n ALA 149 Ca 0.02 0.10 -0.00 0.00 0.00 0.00 0.00 53.44 53.55 1ogy n ALA 149 Cb 0.28 -1.25 0.29 0.00 0.00 0.00 0.00 19.45 18.77 1ogy n ALA 149 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1ogy h ARG 150 N 0.00 0.20 0.00 0.00 2.43 -1.83 0.29 114.38 115.47 1ogy h ARG 150 Ca 0.00 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1ogy h ARG 150 Cb 0.12 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1ogy h ARG 150 CO 0.00 0.51 0.00 0.45 -1.51 0.00 0.00 179.97 179.42 1ogy h HIS 151 N 0.18 0.00 0.00 2.20 3.86 -0.89 -3.38 115.15 117.12 1ogy h HIS 151 Ca 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1ogy h HIS 151 Cb 0.67 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.14 1ogy h HIS 151 CO 0.01 0.00 -0.44 0.00 0.86 0.00 0.00 177.93 178.36 1ogy n MET 153 N -3.54 1.59 -0.10 0.00 2.81 0.84 -4.69 117.12 114.04 1ogy n MET 153 Ca -0.06 -0.88 -0.12 0.00 -1.81 0.00 0.00 57.70 54.83 1ogy n MET 153 Cb 0.23 -1.31 -0.07 0.00 -0.71 0.00 0.00 33.22 31.35 1ogy n MET 153 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ogy h ALA 154 N 3.02 -0.63 -0.45 3.04 0.00 -1.72 0.12 119.26 122.65 1ogy h ALA 154 Ca 0.00 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.01 1ogy h ALA 154 Cb 0.59 0.97 -0.10 0.00 0.00 0.00 0.00 17.79 19.26 1ogy h ALA 154 CO 0.00 -0.97 -0.33 0.77 0.00 0.00 0.00 179.25 178.72 1ogy h SER 155 N -0.41 -1.12 -0.44 0.00 0.02 -1.83 0.52 113.55 110.29 1ogy h SER 155 Ca 0.10 0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 61.24 1ogy h SER 155 Cb 0.61 0.53 -0.02 0.00 0.14 0.00 0.00 62.40 63.66 1ogy h SER 155 CO -0.54 -0.32 0.25 0.00 -1.14 0.00 0.00 176.83 175.08 1ogy h ALA 156 N 0.80 0.57 -0.32 3.77 0.00 -1.68 -1.09 119.26 121.31 1ogy h ALA 156 Ca 0.18 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1ogy h ALA 156 Cb 0.54 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1ogy h ALA 156 CO -0.57 0.08 0.13 0.00 0.00 0.00 0.00 179.25 178.89 1ogy h ALA 157 N 1.10 0.41 -0.17 0.00 0.00 -0.25 -1.00 119.26 119.36 1ogy h ALA 157 Ca 0.16 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1ogy h ALA 157 Cb 0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1ogy h ALA 157 CO -0.03 0.00 -0.07 1.15 0.00 0.00 0.00 179.25 180.30 1ogy h THR 158 N 0.37 0.76 -0.05 0.00 2.02 0.33 -1.77 112.91 114.57 1ogy h THR 158 Ca 0.11 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.24 1ogy h THR 158 Cb 0.17 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1ogy h THR 158 CO -0.01 0.00 -0.18 0.00 0.37 0.00 0.00 175.52 175.70 1ogy h ALA 159 N 1.10 1.62 0.31 6.16 0.00 -1.06 -2.46 119.26 124.94 1ogy h ALA 159 Ca 0.09 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ogy h ALA 159 Cb 0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1ogy h ALA 159 CO -0.20 0.28 -0.31 0.74 0.00 0.00 0.00 179.25 179.76 1ogy h PHE 160 N 0.07 -0.83 0.50 0.00 0.05 -0.30 0.28 116.94 116.71 1ogy h PHE 160 Ca 0.01 0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.79 1ogy h PHE 160 Cb 0.36 0.32 -0.02 0.00 2.00 0.00 0.00 35.95 38.61 1ogy h PHE 160 CO 0.00 -0.44 -0.43 0.52 -0.18 0.00 0.00 178.31 177.78 1ogy h MET 161 N -0.65 -0.89 -0.33 1.51 2.86 -1.31 0.95 114.93 117.07 1ogy h MET 161 Ca -0.02 0.06 0.07 0.00 -2.06 0.00 0.00 59.70 57.76 1ogy h MET 161 Cb 0.59 0.20 -0.08 0.00 0.06 0.00 0.00 31.60 32.37 1ogy h MET 161 CO -0.06 -0.59 -0.31 0.00 1.06 0.00 0.00 176.91 177.01 1ogy h ARG 162 N -0.92 -0.26 0.09 1.72 3.08 -1.21 2.29 114.38 119.17 1ogy h ARG 162 Ca -0.05 0.02 -0.26 0.00 0.07 0.00 0.00 59.98 59.76 1ogy h ARG 162 Cb 0.79 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.90 1ogy h ARG 162 CO -0.02 -0.18 -1.16 1.79 -1.07 0.00 0.00 179.97 179.33 1ogy h THR 163 N -0.27 1.54 -0.00 2.04 1.35 -0.24 -3.39 112.91 113.94 1ogy h THR 163 Ca 0.16 -3.10 0.00 0.00 -0.55 0.00 0.00 66.41 62.92 1ogy h THR 163 Cb 0.53 2.88 0.00 0.00 -1.73 0.00 0.00 68.15 69.83 1ogy h THR 163 CO -0.48 0.90 -0.03 0.49 -0.25 0.00 0.00 175.52 176.15 1ogy n PHE 164 N -3.51 0.00 -0.96 4.73 3.01 0.32 -1.89 117.46 119.16 1ogy n PHE 164 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.40 1ogy n PHE 164 Cb 0.99 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.46 1ogy n PHE 164 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ogy n GLY 165 N 0.72 0.31 3.40 1.37 0.00 0.77 -3.50 105.19 108.26 1ogy n GLY 165 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1ogy n GLY 165 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ogy s MET 166 N -0.87 0.73 0.82 1.61 -2.45 -1.25 -4.63 119.30 113.27 1ogy s MET 166 Ca 0.00 0.41 -0.11 0.00 -1.25 0.00 0.00 55.69 54.73 1ogy s MET 166 Cb 0.00 0.34 0.11 0.00 1.25 0.00 0.00 34.83 36.53 1ogy s MET 166 CO 0.00 -0.16 1.17 0.34 1.05 0.00 0.00 175.02 177.43 1ogy s ASP 167 N -0.43 4.18 0.47 1.11 2.15 -1.26 -4.13 116.67 118.76 1ogy s ASP 167 Ca -0.06 0.52 0.00 0.00 0.43 0.00 0.00 52.55 53.44 1ogy s ASP 167 Cb -0.03 -0.91 0.00 0.00 -0.30 0.00 0.00 42.92 41.68 1ogy s ASP 167 CO 0.04 -2.07 0.00 -0.62 -0.17 0.00 0.00 175.17 172.35 1ogy n GLU 168 N -3.33 -3.12 -0.66 4.34 -0.58 -1.26 -4.98 120.64 111.05 1ogy n GLU 168 Ca 0.10 2.44 -0.31 0.00 -0.42 0.00 0.00 57.16 58.98 1ogy n GLU 168 Cb 0.60 -3.13 0.18 0.00 -0.57 0.00 0.00 31.44 28.52 1ogy n GLU 168 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1ogy n PRO 169 N -2.66 -0.79 -0.00 3.49 -0.02 -1.26 -4.97 135.00 128.79 1ogy n PRO 169 Ca -0.01 -0.18 0.08 0.00 -2.02 0.00 0.00 63.50 61.37 1ogy n PRO 169 Cb 0.41 -2.24 -0.09 0.00 -0.02 0.00 0.00 33.50 31.56 1ogy n PRO 169 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ogy n MET 170 N -3.88 1.50 -0.62 -0.52 0.00 -1.26 -4.84 117.12 107.50 1ogy n MET 170 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.79 1ogy n MET 170 Cb 0.53 -1.29 0.00 0.00 0.00 0.00 0.00 33.22 32.46 1ogy n MET 170 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ogy n GLY 171 N 1.39 2.31 3.63 3.17 0.00 -1.26 -0.81 105.19 113.62 1ogy n GLY 171 Ca 0.03 -2.10 -0.08 0.00 0.00 0.00 0.00 46.02 43.88 1ogy n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ogy h TYR 173 N 2.00 0.00 -0.10 0.00 0.99 -1.95 0.26 116.97 118.16 1ogy h TYR 173 Ca -0.25 0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.51 1ogy h TYR 173 Cb 1.26 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.98 1ogy h TYR 173 CO 0.32 0.00 0.26 -0.44 -0.00 0.00 0.00 178.16 178.31 1ogy h ASP 174 N 0.00 0.00 -0.29 3.88 5.19 -1.98 -0.07 116.42 123.15 1ogy h ASP 174 Ca 0.18 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.53 1ogy h ASP 174 Cb 1.36 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.85 1ogy h ASP 174 CO -0.00 0.00 -0.02 0.44 -3.12 0.00 0.00 179.24 176.54 1ogy h ASP 175 N 0.00 0.61 -1.05 6.45 3.32 -0.85 -2.97 116.42 121.92 1ogy h ASP 175 Ca 0.05 -0.14 0.28 0.00 0.02 0.00 0.00 57.03 57.24 1ogy h ASP 175 Cb 0.58 -0.16 -0.09 0.00 0.22 0.00 0.00 39.33 39.88 1ogy h ASP 175 CO -0.00 0.69 0.69 -0.26 -1.72 0.00 0.00 179.24 178.64 1ogy h PHE 176 N 0.60 0.57 0.00 4.55 -1.00 -1.21 0.49 116.94 120.93 1ogy h PHE 176 Ca 0.12 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.92 1ogy h PHE 176 Cb 0.41 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 39.81 1ogy h PHE 176 CO 0.02 0.05 -0.67 0.39 -1.61 0.00 0.00 178.31 176.48 1ogy n GLU 177 N -4.57 0.26 -0.07 1.51 4.71 -1.13 -4.15 120.64 117.21 1ogy n GLU 177 Ca 0.25 0.06 -0.04 0.00 -0.01 0.00 0.00 57.16 57.43 1ogy n GLU 177 Cb 0.93 -1.65 -0.15 0.00 -1.01 0.00 0.00 31.44 29.55 1ogy n GLU 177 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ogy n ALA 178 N -1.79 1.90 -0.88 0.62 0.00 0.11 -5.03 120.51 115.44 1ogy n ALA 178 Ca 0.03 -1.03 -0.34 0.00 0.00 0.00 0.00 53.44 52.11 1ogy n ALA 178 Cb 0.43 -0.32 0.11 0.00 0.00 0.00 0.00 19.45 19.67 1ogy n ALA 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ogy n ALA 179 N -2.56 -2.66 0.34 0.00 0.00 0.13 -4.57 120.51 111.19 1ogy n ALA 179 Ca -0.23 -0.56 0.04 0.00 0.00 0.00 0.00 53.44 52.69 1ogy n ALA 179 Cb 0.94 -1.76 -0.05 0.00 0.00 0.00 0.00 19.45 18.59 1ogy n ALA 179 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ogy n ASP 180 N -0.80 0.73 0.00 0.00 8.00 -0.46 -4.94 116.55 119.08 1ogy n ASP 180 Ca 0.07 -0.61 0.00 0.00 0.71 0.00 0.00 54.79 54.96 1ogy n ASP 180 Cb 0.53 1.05 0.00 0.00 -0.02 0.00 0.00 41.12 42.68 1ogy n ASP 180 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ogy n ALA 181 N -1.27 0.00 -2.83 2.24 0.00 -1.05 -3.20 120.51 114.40 1ogy n ALA 181 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.11 1ogy n ALA 181 Cb 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.49 1ogy n ALA 181 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1ogy s PHE 182 N -0.78 3.24 -0.19 0.00 0.40 -0.19 -2.15 117.98 118.31 1ogy s PHE 182 Ca 0.00 0.06 -0.02 0.00 -0.60 0.00 0.00 56.93 56.38 1ogy s PHE 182 Cb 0.00 -2.05 -0.00 0.00 0.51 0.00 0.00 43.02 41.48 1ogy s PHE 182 CO 0.00 0.17 -0.11 0.08 0.70 0.00 0.00 175.22 176.07 1ogy s VAL 183 N 0.25 2.94 -0.64 -0.44 1.01 -0.99 -0.18 120.40 122.35 1ogy s VAL 183 Ca 0.03 -0.66 -0.13 0.00 0.00 0.00 0.00 61.98 61.23 1ogy s VAL 183 Cb -0.12 -2.29 0.16 0.00 0.00 0.00 0.00 36.38 34.13 1ogy s VAL 183 CO 0.01 0.48 0.57 -0.76 0.00 0.00 0.00 175.10 175.39 1ogy s LEU 184 N 1.13 6.23 -1.16 3.92 1.02 -0.13 -0.21 118.68 129.48 1ogy s LEU 184 Ca 0.01 -2.25 -0.19 0.00 0.02 0.00 0.00 54.13 51.72 1ogy s LEU 184 Cb -0.14 -2.14 -0.04 0.00 0.02 0.00 0.00 46.19 43.88 1ogy s LEU 184 CO -0.03 -0.68 1.97 0.79 0.02 0.00 0.00 176.35 178.41 1ogy n TRP 185 N 4.55 3.12 -1.00 0.29 7.02 0.24 -1.49 117.44 130.16 1ogy n TRP 185 Ca -0.01 -2.27 -0.00 0.00 -1.02 0.00 0.00 57.50 54.21 1ogy n TRP 185 Cb 0.43 -2.34 -0.00 0.00 -2.42 0.00 0.00 31.31 26.98 1ogy n TRP 185 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ogy n GLY 186 N 4.89 0.45 3.90 6.99 0.00 -0.15 -4.48 105.19 116.79 1ogy n GLY 186 Ca 0.49 -0.49 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 1ogy n GLY 186 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ogy s SER 187 N -2.45 5.18 -0.34 1.61 0.01 -1.25 -4.38 113.70 112.08 1ogy s SER 187 Ca 0.00 0.86 0.16 0.00 1.31 0.00 0.00 55.95 58.28 1ogy s SER 187 Cb 0.00 -1.62 0.43 0.00 0.21 0.00 0.00 66.02 65.04 1ogy s SER 187 CO 0.00 -1.44 0.91 -3.20 0.41 0.00 0.00 173.24 169.93 1ogy n ASN 188 N -2.97 1.07 -0.30 2.44 4.05 -1.26 -4.93 115.26 113.35 1ogy n ASN 188 Ca 0.07 -2.79 0.13 0.00 0.45 0.00 0.00 54.58 52.44 1ogy n ASN 188 Cb 0.59 -0.44 0.31 0.00 1.23 0.00 0.00 39.78 41.46 1ogy n ASN 188 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 177.26 174.45 1ogy h MET 189 N 2.96 0.37 -1.45 1.20 2.86 -1.93 -0.78 114.93 118.16 1ogy h MET 189 Ca -0.06 -0.02 0.47 0.00 -2.06 0.00 0.00 59.70 58.03 1ogy h MET 189 Cb 1.13 -0.08 -0.12 0.00 0.06 0.00 0.00 31.60 32.59 1ogy h MET 189 CO 0.47 0.24 0.96 0.00 1.06 0.00 0.00 176.91 179.64 1ogy h ALA 190 N 1.72 2.96 0.00 6.32 0.00 -1.91 0.21 119.26 128.57 1ogy h ALA 190 Ca 0.56 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.55 1ogy h ALA 190 Cb 1.08 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1ogy h ALA 190 CO -0.54 -1.60 -1.21 0.39 0.00 0.00 0.00 179.25 176.29 1ogy n GLU 191 N -4.57 0.33 -0.00 0.00 1.02 -0.46 -4.49 120.64 112.47 1ogy n GLU 191 Ca 0.39 -0.04 0.06 0.00 -0.02 0.00 0.00 57.16 57.55 1ogy n GLU 191 Cb 1.57 -1.11 -0.09 0.00 -0.02 0.00 0.00 31.44 31.80 1ogy n GLU 191 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1ogy n MET 192 N -1.68 1.42 -3.05 3.49 2.81 -0.43 -4.15 117.12 115.52 1ogy n MET 192 Ca -0.01 -0.07 -0.16 0.00 -1.81 0.00 0.00 57.70 55.65 1ogy n MET 192 Cb 0.15 -1.21 0.00 0.00 -0.71 0.00 0.00 33.22 31.45 1ogy n MET 192 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1ogy n HIS 193 N -1.68 -0.82 -0.04 2.03 8.25 0.66 -4.85 115.22 118.78 1ogy n HIS 193 Ca -0.00 -3.27 -0.08 0.00 -0.26 0.00 0.00 57.72 54.11 1ogy n HIS 193 Cb 0.27 0.21 -0.02 0.00 1.12 0.00 0.00 29.99 31.57 1ogy n HIS 193 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1ogy h PRO 194 N 3.13 -0.20 0.00 -0.41 0.11 -1.67 0.58 132.00 133.55 1ogy h PRO 194 Ca 0.03 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 1ogy h PRO 194 Cb 1.00 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1ogy h PRO 194 CO 0.39 -0.13 -0.07 0.82 -0.21 0.00 0.00 178.00 178.80 1ogy h ILE 195 N -0.21 0.25 0.03 4.15 1.08 -1.91 0.49 117.51 121.40 1ogy h ILE 195 Ca 0.13 -0.50 -0.14 0.00 -0.39 0.00 0.00 64.86 63.96 1ogy h ILE 195 Cb 0.41 1.39 0.01 0.00 -3.07 0.00 0.00 36.82 35.57 1ogy h ILE 195 CO -0.35 0.07 -0.56 -0.07 -0.69 0.00 0.00 178.15 176.54 1ogy h LEU 196 N 0.00 0.44 -1.88 1.44 3.38 -1.70 -1.71 115.31 115.28 1ogy h LEU 196 Ca -0.00 -0.81 -0.01 0.00 0.09 0.00 0.00 57.88 57.15 1ogy h LEU 196 Cb 0.39 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1ogy h LEU 196 CO 0.01 1.20 -0.01 -0.25 0.09 0.00 0.00 178.44 179.48 1ogy h TRP 197 N -0.27 0.06 -0.32 1.13 2.91 -0.09 0.39 115.95 119.75 1ogy h TRP 197 Ca -0.08 -0.00 -0.16 0.00 1.13 0.00 0.00 58.89 59.78 1ogy h TRP 197 Cb 1.32 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 29.94 1ogy h TRP 197 CO 0.17 0.08 -0.43 1.03 -1.03 0.00 0.00 178.44 178.25 1ogy h SER 198 N 0.06 0.88 -0.21 2.65 0.87 0.03 0.43 113.55 118.26 1ogy h SER 198 Ca 0.01 -0.42 -0.11 0.00 -1.23 0.00 0.00 61.79 60.05 1ogy h SER 198 Cb 0.07 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 1ogy h SER 198 CO 0.00 1.19 -0.23 -0.09 -0.53 0.00 0.00 176.83 177.17 1ogy h ARG 199 N 0.66 0.66 -0.12 2.24 2.43 0.54 -1.13 114.38 119.67 1ogy h ARG 199 Ca 0.04 -0.26 -0.23 0.00 -0.81 0.00 0.00 59.98 58.73 1ogy h ARG 199 Cb 1.00 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.53 1ogy h ARG 199 CO 0.10 0.84 -0.82 1.25 -1.51 0.00 0.00 179.97 179.82 1ogy h LEU 200 N 0.58 0.92 -0.77 3.80 5.85 -0.37 -3.00 115.31 122.32 1ogy h LEU 200 Ca 0.08 -0.66 -0.04 0.00 0.84 0.00 0.00 57.88 58.11 1ogy h LEU 200 Cb 0.70 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1ogy h LEU 200 CO 0.05 1.44 0.32 0.74 -0.34 0.00 0.00 178.44 180.65 1ogy h THR 201 N 0.48 1.26 -0.77 1.05 2.02 -0.79 -1.02 112.91 115.14 1ogy h THR 201 Ca -0.07 -0.79 -0.02 0.00 0.77 0.00 0.00 66.41 66.31 1ogy h THR 201 Cb 1.46 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 68.17 1ogy h THR 201 CO 0.17 0.32 0.41 -0.78 0.37 0.00 0.00 175.52 176.01 1ogy h ASP 202 N 1.11 0.97 -0.11 4.18 3.58 -1.20 0.42 116.42 125.36 1ogy h ASP 202 Ca 0.26 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.60 1ogy h ASP 202 Cb 0.20 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.00 1ogy h ASP 202 CO -0.02 0.79 -0.01 -0.09 -2.88 0.00 0.00 179.24 177.02 1ogy h ARG 203 N 1.08 0.20 0.29 0.28 9.65 -1.28 -1.02 114.38 123.57 1ogy h ARG 203 Ca 0.27 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 59.07 1ogy h ARG 203 Cb 0.04 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 1ogy h ARG 203 CO -0.04 0.46 -0.14 -0.09 2.80 0.00 0.00 179.97 182.96 1ogy h ARG 204 N -0.09 -0.37 0.00 0.20 9.65 -0.87 -2.20 114.38 120.70 1ogy h ARG 204 Ca 0.03 0.03 -0.08 0.00 -1.10 0.00 0.00 59.98 58.86 1ogy h ARG 204 Cb 0.38 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 1ogy h ARG 204 CO 0.01 -0.17 -0.37 -0.07 2.80 0.00 0.00 179.97 182.17 1ogy h LEU 205 N -0.50 0.00 0.00 3.80 4.07 -0.99 -3.17 115.31 118.52 1ogy h LEU 205 Ca -0.04 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.77 1ogy h LEU 205 Cb 0.37 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.09 1ogy h LEU 205 CO 0.06 0.37 -0.84 0.28 -1.08 0.00 0.00 178.44 177.23 1ogy h SER 206 N 0.00 0.00 -3.32 -0.43 0.02 -1.12 -3.41 113.55 105.29 1ogy h SER 206 Ca -0.00 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.34 1ogy h SER 206 Cb 0.76 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.90 1ogy h SER 206 CO 0.05 0.69 -0.74 -1.00 -1.14 0.00 0.00 176.83 174.68 1ogy s HIS 207 N -2.86 2.28 -1.64 3.45 3.76 -0.83 -5.00 115.29 114.44 1ogy s HIS 207 Ca 0.02 -2.12 0.07 0.00 -0.15 0.00 0.00 55.06 52.88 1ogy s HIS 207 Cb 0.08 -2.05 0.40 0.00 1.11 0.00 0.00 32.58 32.12 1ogy s HIS 207 CO 0.78 -0.89 1.03 0.39 -0.85 0.00 0.00 174.74 175.20 1ogy n GLU 208 N 4.60 0.16 0.19 1.40 -0.58 -1.26 -1.68 120.64 123.47 1ogy n GLU 208 Ca 0.00 0.14 0.12 0.00 -0.42 0.00 0.00 57.16 57.00 1ogy n GLU 208 Cb 0.41 -1.50 0.23 0.00 -0.57 0.00 0.00 31.44 30.01 1ogy n GLU 208 CO 0.00 0.00 0.00 1.12 -0.48 0.00 0.00 177.13 177.77 1ogy h HIS 209 N 0.00 0.00 -3.92 -0.32 2.07 -1.94 -3.46 115.15 107.58 1ogy h HIS 209 Ca 0.00 0.00 -0.51 0.00 -2.85 0.00 0.00 60.37 57.01 1ogy h HIS 209 Cb 0.04 0.00 0.05 0.00 2.57 0.00 0.00 27.41 30.07 1ogy h HIS 209 CO 0.00 0.00 0.50 0.08 -3.07 0.00 0.00 177.93 175.44 1ogy s VAL 210 N -3.18 3.20 -0.05 6.12 1.01 -0.67 -4.98 120.40 121.84 1ogy s VAL 210 Ca 0.08 1.04 0.03 0.00 0.00 0.00 0.00 61.98 63.13 1ogy s VAL 210 Cb 0.07 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1ogy s VAL 210 CO 0.65 0.12 -0.14 -0.13 0.00 0.00 0.00 175.10 175.61 1ogy s ARG 211 N -2.16 1.61 -0.11 2.72 1.81 -1.19 -4.97 118.95 116.66 1ogy s ARG 211 Ca 0.55 -0.48 -0.01 0.00 -1.72 0.00 0.00 55.73 54.08 1ogy s ARG 211 Cb -0.31 -1.38 -0.03 0.00 -0.45 0.00 0.00 34.95 32.79 1ogy s ARG 211 CO 0.39 0.13 -0.08 0.08 -0.68 0.00 0.00 175.30 175.14 1ogy s VAL 212 N 0.32 3.56 -0.10 3.52 1.01 -1.26 -1.02 120.40 126.43 1ogy s VAL 212 Ca -0.08 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1ogy s VAL 212 Cb -0.13 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.78 1ogy s VAL 212 CO 0.03 0.55 -0.11 0.00 0.00 0.00 0.00 175.10 175.56 1ogy s ALA 213 N -0.17 1.41 -0.08 5.51 0.00 0.75 0.04 121.76 129.21 1ogy s ALA 213 Ca 0.02 -0.56 0.04 0.00 0.00 0.00 0.00 51.96 51.46 1ogy s ALA 213 Cb -0.13 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 1ogy s ALA 213 CO 0.03 -0.14 -0.22 0.08 0.00 0.00 0.00 175.76 175.51 1ogy s VAL 214 N 1.13 2.31 0.03 0.00 1.01 -1.07 -0.96 120.40 122.87 1ogy s VAL 214 Ca -0.05 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.03 1ogy s VAL 214 Cb -0.14 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1ogy s VAL 214 CO -0.02 0.56 -0.10 -0.76 0.00 0.00 0.00 175.10 174.77 1ogy s LEU 215 N 0.05 3.00 0.19 3.92 1.02 -0.56 -1.81 118.68 124.48 1ogy s LEU 215 Ca -0.09 -0.27 -0.23 0.00 0.02 0.00 0.00 54.13 53.56 1ogy s LEU 215 Cb -0.15 -1.75 0.05 0.00 0.02 0.00 0.00 46.19 44.36 1ogy s LEU 215 CO 0.06 0.25 0.79 -0.55 0.02 0.00 0.00 176.35 176.92 1ogy s SER 216 N -1.58 -0.30 0.06 2.29 0.15 0.01 -0.98 113.70 113.35 1ogy s SER 216 Ca 0.17 -0.38 -0.01 0.00 0.70 0.00 0.00 55.95 56.44 1ogy s SER 216 Cb -0.11 0.60 -0.26 0.00 -1.71 0.00 0.00 66.02 64.54 1ogy s SER 216 CO 0.08 -1.08 1.08 0.74 1.20 0.00 0.00 173.24 175.27 1ogy h THR 217 N 2.00 1.44 -4.37 6.45 2.02 -1.87 -1.96 112.91 116.61 1ogy h THR 217 Ca -0.23 -3.07 -0.17 0.00 0.77 0.00 0.00 66.41 63.71 1ogy h THR 217 Cb 1.25 2.85 -0.15 0.00 -1.74 0.00 0.00 68.15 70.37 1ogy h THR 217 CO 0.27 0.88 -0.64 0.72 0.37 0.00 0.00 175.52 177.11 1ogy s PHE 218 N -2.66 0.78 -0.22 3.16 -0.71 -1.26 -4.70 117.98 112.37 1ogy s PHE 218 Ca -0.04 -1.18 -0.27 0.00 -1.04 0.00 0.00 56.93 54.40 1ogy s PHE 218 Cb 0.08 -0.45 -0.00 0.00 -1.21 0.00 0.00 43.02 41.44 1ogy s PHE 218 CO 0.86 -0.50 0.92 0.99 -1.34 0.00 0.00 175.22 176.15 1ogy s THR 219 N -4.02 4.78 0.30 -4.49 2.01 -1.00 -4.95 115.64 108.27 1ogy s THR 219 Ca 0.20 1.78 0.04 0.00 0.31 0.00 0.00 61.69 64.02 1ogy s THR 219 Cb 0.07 -4.20 -0.01 0.00 0.01 0.00 0.00 72.50 68.37 1ogy s THR 219 CO -0.01 -0.10 0.13 0.00 -0.69 0.00 0.00 174.62 173.95 1ogy n HIS 220 N 6.01 -0.02 0.17 4.92 1.44 -1.26 0.24 115.22 126.71 1ogy n HIS 220 Ca 0.08 -2.03 0.18 0.00 -2.01 0.00 0.00 57.72 53.94 1ogy n HIS 220 Cb 0.47 0.04 0.74 0.00 0.12 0.00 0.00 29.99 31.35 1ogy n HIS 220 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ogy h ARG 221 N 0.00 0.00 0.13 -1.40 3.08 -1.96 -1.69 114.38 112.54 1ogy h ARG 221 Ca -0.23 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.52 1ogy h ARG 221 Cb 0.93 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.00 1ogy h ARG 221 CO 0.36 0.00 -1.25 0.77 -1.07 0.00 0.00 179.97 178.78 1ogy h SER 222 N 0.00 0.77 0.00 7.04 0.02 -1.91 -3.12 113.55 116.34 1ogy h SER 222 Ca 0.14 -0.73 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 1ogy h SER 222 Cb 1.04 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.33 1ogy h SER 222 CO -0.00 1.55 0.00 -1.54 -1.14 0.00 0.00 176.83 175.70 1ogy n SER 223 N -3.73 1.75 -0.02 3.07 3.41 -0.64 -2.48 113.62 114.98 1ogy n SER 223 Ca -0.13 -1.91 0.12 0.00 -0.26 0.00 0.00 58.87 56.69 1ogy n SER 223 Cb 1.00 -0.48 0.18 0.00 -0.26 0.00 0.00 64.21 64.65 1ogy n SER 223 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ogy n ASP 224 N 0.23 0.65 -0.47 4.04 8.00 -1.18 -3.72 116.55 124.11 1ogy n ASP 224 Ca 0.00 -0.46 0.05 0.00 0.71 0.00 0.00 54.79 55.10 1ogy n ASP 224 Cb 0.34 0.39 0.06 0.00 -0.02 0.00 0.00 41.12 41.89 1ogy n ASP 224 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1ogy n LEU 225 N -1.42 2.06 -4.76 0.64 7.94 -1.03 -5.04 117.00 115.39 1ogy n LEU 225 Ca 0.06 -1.15 -0.39 0.00 -1.11 0.00 0.00 56.01 53.41 1ogy n LEU 225 Cb 0.34 -0.03 -0.06 0.00 0.53 0.00 0.00 43.42 44.19 1ogy n LEU 225 CO 0.36 0.42 0.67 -0.44 -1.11 0.00 0.00 177.39 177.28 1ogy s SER 226 N -0.92 7.54 -0.02 1.96 0.01 -1.24 -4.76 113.70 116.26 1ogy s SER 226 Ca 0.14 1.97 0.19 0.00 1.31 0.00 0.00 55.95 59.56 1ogy s SER 226 Cb 0.10 -2.61 -0.21 0.00 0.21 0.00 0.00 66.02 63.51 1ogy s SER 226 CO 0.14 0.08 0.57 0.47 0.41 0.00 0.00 173.24 174.90 1ogy n ASP 227 N 1.27 0.44 -3.72 2.44 8.00 0.11 -4.57 116.55 120.51 1ogy n ASP 227 Ca -0.01 0.19 -0.29 0.00 0.71 0.00 0.00 54.79 55.39 1ogy n ASP 227 Cb 0.47 0.83 -0.12 0.00 -0.02 0.00 0.00 41.12 42.29 1ogy n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ogy s THR 228 N -2.99 1.75 -0.41 -3.53 2.01 -0.84 -5.01 115.64 106.62 1ogy s THR 228 Ca -0.06 -3.20 -0.25 0.00 0.31 0.00 0.00 61.69 58.49 1ogy s THR 228 Cb 0.09 -2.19 0.02 0.00 0.01 0.00 0.00 72.50 70.44 1ogy s THR 228 CO 0.84 -1.00 0.90 -2.16 -0.69 0.00 0.00 174.62 172.51 1ogy s PRO 229 N -0.36 3.70 -0.14 4.92 0.04 -1.26 -2.59 135.00 139.31 1ogy s PRO 229 Ca 0.23 0.36 0.02 0.00 0.04 0.00 0.00 61.00 61.65 1ogy s PRO 229 Cb -0.12 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.57 1ogy s PRO 229 CO -0.10 -1.04 -0.19 0.42 0.04 0.00 0.00 177.00 176.12 1ogy s ILE 230 N 3.53 2.31 -0.28 0.56 1.01 -0.75 -5.02 121.20 122.56 1ogy s ILE 230 Ca 0.37 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 60.13 1ogy s ILE 230 Cb -0.11 -1.94 0.05 0.00 0.01 0.00 0.00 42.46 40.46 1ogy s ILE 230 CO 0.22 0.54 -0.06 -0.63 0.00 0.00 0.00 174.94 175.01 1ogy s ILE 231 N 0.78 2.60 0.58 2.92 1.01 -1.26 -0.81 121.20 127.03 1ogy s ILE 231 Ca -0.07 -1.47 0.08 0.00 0.00 0.00 0.00 60.65 59.19 1ogy s ILE 231 Cb -0.16 -2.50 0.08 0.00 0.01 0.00 0.00 42.46 39.90 1ogy s ILE 231 CO -0.01 -0.05 0.69 2.22 0.00 0.00 0.00 174.94 177.80 1ogy n PHE 232 N 4.54 -1.73 -3.06 3.97 1.16 -0.74 -4.56 117.46 117.04 1ogy n PHE 232 Ca -0.14 -2.24 -0.39 0.00 -1.87 0.00 0.00 57.45 52.81 1ogy n PHE 232 Cb 0.43 -0.53 -0.06 0.00 -1.61 0.00 0.00 39.48 37.71 1ogy n PHE 232 CO 0.00 0.00 0.00 0.50 -1.87 0.00 0.00 176.76 175.39 1ogy s ARG 233 N -4.57 4.46 -0.22 3.97 3.52 -1.07 -4.53 118.95 120.50 1ogy s ARG 233 Ca 0.53 1.03 -0.41 0.00 -0.13 0.00 0.00 55.73 56.75 1ogy s ARG 233 Cb -0.04 -3.28 -0.17 0.00 -1.56 0.00 0.00 34.95 29.90 1ogy s ARG 233 CO 0.33 0.53 1.59 -2.30 -0.81 0.00 0.00 175.30 174.64 1ogy n PRO 234 N 1.87 0.86 0.00 5.12 -0.02 -1.26 -0.61 135.00 140.96 1ogy n PRO 234 Ca -0.06 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1ogy n PRO 234 Cb 0.49 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1ogy n PRO 234 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ogy n GLY 235 N 3.62 2.85 0.00 -1.23 0.00 -1.26 -4.85 105.19 104.32 1ogy n GLY 235 Ca 0.25 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.36 1ogy n GLY 235 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ogy n THR 236 N -2.00 0.00 0.26 2.61 -2.24 0.22 -3.45 114.28 109.68 1ogy n THR 236 Ca 0.00 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.87 1ogy n THR 236 Cb 0.00 -0.36 0.66 0.00 -2.10 0.00 0.00 70.33 68.54 1ogy n THR 236 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1ogy h ASP 237 N 0.00 0.00 -0.35 3.42 3.04 -1.90 -2.39 116.42 118.24 1ogy h ASP 237 Ca 0.00 0.00 0.07 0.00 -3.24 0.00 0.00 57.03 53.86 1ogy h ASP 237 Cb 0.00 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 38.23 1ogy h ASP 237 CO 0.00 0.05 -0.03 0.03 -2.04 0.00 0.00 179.24 177.25 1ogy h ARG 238 N 0.00 0.06 0.22 4.15 3.08 -1.96 -0.97 114.38 118.97 1ogy h ARG 238 Ca -0.00 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1ogy h ARG 238 Cb 0.09 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1ogy h ARG 238 CO 0.01 0.04 -0.14 0.00 -1.07 0.00 0.00 179.97 178.81 1ogy h ALA 239 N 1.33 -0.34 -0.60 0.04 0.00 -1.71 -2.66 119.26 115.31 1ogy h ALA 239 Ca 0.17 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.14 1ogy h ALA 239 Cb 0.25 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.12 1ogy h ALA 239 CO -0.32 -0.70 0.05 0.82 0.00 0.00 0.00 179.25 179.11 1ogy h ILE 240 N -0.35 0.55 -0.69 0.00 2.04 -1.23 -0.52 117.51 117.31 1ogy h ILE 240 Ca -0.02 -0.06 0.11 0.00 1.00 0.00 0.00 64.86 65.89 1ogy h ILE 240 Cb 0.29 0.37 -0.08 0.00 -0.74 0.00 0.00 36.82 36.67 1ogy h ILE 240 CO 0.02 0.03 0.30 -0.07 0.00 0.00 0.00 178.15 178.43 1ogy h LEU 241 N 0.17 0.34 -0.31 1.44 3.38 -0.96 -1.49 115.31 117.90 1ogy h LEU 241 Ca 0.32 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.29 1ogy h LEU 241 Cb 0.50 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1ogy h LEU 241 CO -0.47 0.18 -0.11 0.78 0.09 0.00 0.00 178.44 178.91 1ogy h ASN 242 N 0.50 0.63 -0.42 -0.43 -0.26 -0.87 -2.41 115.58 112.32 1ogy h ASN 242 Ca 0.35 -0.39 0.09 0.00 -0.56 0.00 0.00 56.30 55.79 1ogy h ASN 242 Cb 0.44 -0.17 -0.09 0.00 -1.06 0.00 0.00 38.32 37.44 1ogy h ASN 242 CO -0.32 0.87 -0.25 0.22 -1.06 0.00 0.00 177.43 176.89 1ogy h TYR 243 N 0.38 -0.67 -0.83 1.19 3.20 -0.15 0.40 116.97 120.50 1ogy h TYR 243 Ca 0.07 0.05 0.12 0.00 3.14 0.00 0.00 58.73 62.12 1ogy h TYR 243 Cb 0.62 0.36 -0.06 0.00 1.54 0.00 0.00 36.73 39.18 1ogy h TYR 243 CO 0.06 -0.33 0.54 0.82 -1.64 0.00 0.00 178.16 177.61 1ogy h ILE 244 N -0.18 0.89 -0.05 1.81 2.04 -1.20 0.60 117.51 121.43 1ogy h ILE 244 Ca 0.20 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1ogy h ILE 244 Cb 0.49 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1ogy h ILE 244 CO -0.52 0.12 0.01 0.00 0.00 0.00 0.00 178.15 177.76 1ogy h ALA 245 N 1.60 0.06 -0.57 1.87 0.00 0.11 0.14 119.26 122.48 1ogy h ALA 245 Ca 0.40 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.26 1ogy h ALA 245 Cb 0.60 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1ogy h ALA 245 CO -0.16 -0.32 0.25 1.25 0.00 0.00 0.00 179.25 180.27 1ogy h HIS 246 N -0.15 0.45 -0.63 0.00 -0.00 0.17 -1.17 115.15 113.83 1ogy h HIS 246 Ca 0.01 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.37 1ogy h HIS 246 Cb 0.24 -0.12 -0.03 0.00 -0.00 0.00 0.00 27.41 27.50 1ogy h HIS 246 CO 0.00 0.17 0.25 1.25 -0.00 0.00 0.00 177.93 179.60 1ogy h HIS 247 N 0.47 0.93 -0.51 5.26 6.17 0.52 0.32 115.15 128.30 1ogy h HIS 247 Ca 0.27 -0.06 -0.03 0.00 0.71 0.00 0.00 60.37 61.26 1ogy h HIS 247 Cb 0.26 -0.28 -0.02 0.00 2.52 0.00 0.00 27.41 29.88 1ogy h HIS 247 CO -0.13 0.72 0.20 0.82 0.71 0.00 0.00 177.93 180.24 1ogy h ILE 248 N 0.91 1.22 -0.01 6.26 2.04 0.41 -2.56 117.51 125.77 1ogy h ILE 248 Ca 0.21 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 65.39 1ogy h ILE 248 Cb 0.18 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1ogy h ILE 248 CO -0.02 0.26 -0.00 0.40 0.00 0.00 0.00 178.15 178.79 1ogy h ILE 249 N 0.69 1.30 -1.00 -0.67 1.08 -0.72 -1.51 117.51 116.68 1ogy h ILE 249 Ca 0.17 -0.90 0.02 0.00 -0.39 0.00 0.00 64.86 63.76 1ogy h ILE 249 Cb 0.21 1.89 -0.05 0.00 -3.07 0.00 0.00 36.82 35.80 1ogy h ILE 249 CO -0.01 0.24 0.66 0.28 -0.69 0.00 0.00 178.15 178.62 1ogy h SER 250 N -0.35 1.13 -0.19 1.72 0.02 -0.35 -0.84 113.55 114.68 1ogy h SER 250 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1ogy h SER 250 Cb 0.39 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1ogy h SER 250 CO 0.00 0.80 0.00 0.41 -1.14 0.00 0.00 176.83 176.90 1ogy n THR 251 N -4.41 0.26 -3.64 -2.27 -1.04 -0.97 -4.92 114.28 97.29 1ogy n THR 251 Ca 0.12 -0.27 -0.20 0.00 -2.04 0.00 0.00 64.05 61.66 1ogy n THR 251 Cb 0.04 0.13 0.05 0.00 -1.82 0.00 0.00 70.33 68.73 1ogy n THR 251 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ogy n GLY 252 N 0.85 -0.31 1.72 3.41 0.00 -0.32 -4.94 105.19 105.61 1ogy n GLY 252 Ca 0.08 0.12 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 1ogy n GLY 252 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ogy n ARG 253 N -4.25 2.91 -2.77 1.61 1.74 -0.58 -5.04 116.66 110.28 1ogy n ARG 253 Ca -0.29 -3.86 -0.32 0.00 -0.77 0.00 0.00 57.85 52.61 1ogy n ARG 253 Cb 0.67 -2.02 -0.05 0.00 -1.02 0.00 0.00 32.46 30.04 1ogy n ARG 253 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ogy s VAL 254 N -4.11 4.57 -0.98 1.55 1.01 -1.26 -4.79 120.40 116.40 1ogy s VAL 254 Ca 0.46 1.13 -0.14 0.00 0.00 0.00 0.00 61.98 63.42 1ogy s VAL 254 Cb 0.39 -3.66 0.20 0.00 0.00 0.00 0.00 36.38 33.31 1ogy s VAL 254 CO 0.00 -0.44 1.05 0.21 0.00 0.00 0.00 175.10 175.92 1ogy s ASN 255 N -2.65 6.89 0.12 3.32 3.84 0.34 -4.90 114.94 121.90 1ogy s ASN 255 Ca 0.57 -2.74 -0.29 0.00 0.21 0.00 0.00 52.86 50.62 1ogy s ASN 255 Cb -0.10 -2.30 -0.07 0.00 -0.55 0.00 0.00 41.25 38.24 1ogy s ASN 255 CO 0.23 -0.68 1.60 0.03 -2.79 0.00 0.00 177.10 175.48 1ogy h ARG 256 N 7.76 -0.51 -1.03 0.43 3.08 -1.94 0.20 114.38 122.38 1ogy h ARG 256 Ca 0.17 0.03 0.28 0.00 0.07 0.00 0.00 59.98 60.54 1ogy h ARG 256 Cb 0.98 0.11 -0.06 0.00 0.08 0.00 0.00 29.97 31.08 1ogy h ARG 256 CO 0.99 -0.34 0.71 -0.44 -1.07 0.00 0.00 179.97 179.82 1ogy h ASP 257 N -0.53 0.19 0.00 7.04 3.32 -1.99 0.47 116.42 124.93 1ogy h ASP 257 Ca 0.05 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1ogy h ASP 257 Cb 0.61 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.15 1ogy h ASP 257 CO -0.29 0.05 -0.19 0.15 -1.72 0.00 0.00 179.24 177.23 1ogy h PHE 258 N 0.17 0.00 -0.85 4.55 3.57 -1.66 -2.80 116.94 119.93 1ogy h PHE 258 Ca 0.53 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 62.02 1ogy h PHE 258 Cb 1.75 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.45 1ogy h PHE 258 CO -0.00 0.82 0.51 0.28 -2.23 0.00 0.00 178.31 177.69 1ogy h VAL 259 N -1.00 1.24 -0.41 1.41 2.07 0.06 0.68 116.25 120.30 1ogy h VAL 259 Ca -0.05 -0.53 -0.07 0.00 0.82 0.00 0.00 66.70 66.87 1ogy h VAL 259 Cb 0.82 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1ogy h VAL 259 CO -0.03 0.25 -0.02 0.44 0.02 0.00 0.00 177.57 178.23 1ogy h ASP 260 N 1.17 0.73 0.94 0.57 3.32 -0.23 -2.61 116.42 120.31 1ogy h ASP 260 Ca 0.30 -0.32 -0.19 0.00 0.02 0.00 0.00 57.03 56.84 1ogy h ASP 260 Cb -0.03 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 1ogy h ASP 260 CO -0.06 0.88 -1.13 -0.09 -1.72 0.00 0.00 179.24 177.12 1ogy h ARG 261 N 0.57 0.00 0.00 3.56 2.43 -1.20 -3.40 114.38 116.33 1ogy h ARG 261 Ca 0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1ogy h ARG 261 Cb 0.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1ogy h ARG 261 CO 0.03 0.61 -0.10 0.72 -1.51 0.00 0.00 179.97 179.71 1ogy n HIS 262 N -3.15 0.00 -4.16 2.20 8.25 0.24 -4.95 115.22 113.65 1ogy n HIS 262 Ca -0.05 -0.64 -0.12 0.00 -0.26 0.00 0.00 57.72 56.64 1ogy n HIS 262 Cb 0.89 -0.10 -0.10 0.00 1.12 0.00 0.00 29.99 31.80 1ogy n HIS 262 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1ogy s THR 263 N -1.78 0.75 0.21 1.59 2.01 -0.98 -1.71 115.64 115.73 1ogy s THR 263 Ca 0.18 -1.70 0.02 0.00 0.31 0.00 0.00 61.69 60.50 1ogy s THR 263 Cb 0.16 -1.40 -0.05 0.00 0.01 0.00 0.00 72.50 71.21 1ogy s THR 263 CO 0.02 -0.69 0.03 0.20 -0.69 0.00 0.00 174.62 173.49 1ogy s ASN 264 N -2.62 1.35 0.50 3.53 0.01 -0.74 -4.87 114.94 112.10 1ogy s ASN 264 Ca 0.06 -1.25 0.02 0.00 -0.71 0.00 0.00 52.86 50.98 1ogy s ASN 264 Cb 0.00 0.11 -0.01 0.00 0.41 0.00 0.00 41.25 41.75 1ogy s ASN 264 CO -0.02 -0.61 0.02 -0.36 -1.51 0.00 0.00 177.10 174.62 1ogy s PHE 265 N -3.63 1.86 -0.07 2.20 0.40 -1.26 -0.92 117.98 116.55 1ogy s PHE 265 Ca 0.29 -1.00 -0.32 0.00 -0.60 0.00 0.00 56.93 55.30 1ogy s PHE 265 Cb 0.07 -1.55 0.13 0.00 0.51 0.00 0.00 43.02 42.18 1ogy s PHE 265 CO 0.08 0.16 1.34 0.00 0.70 0.00 0.00 175.22 177.50 1ogy s ALA 266 N -2.92 -2.31 -0.02 5.36 0.00 -0.52 -3.77 121.76 117.58 1ogy s ALA 266 Ca 0.08 0.94 0.05 0.00 0.00 0.00 0.00 51.96 53.03 1ogy s ALA 266 Cb 0.02 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.35 1ogy s ALA 266 CO 0.05 -0.99 -0.17 -0.51 0.00 0.00 0.00 175.76 174.14 1ogy s LEU 267 N -2.86 2.02 0.28 0.00 1.43 -0.83 -0.19 118.68 118.53 1ogy s LEU 267 Ca 0.14 -0.31 -0.04 0.00 -1.03 0.00 0.00 54.13 52.89 1ogy s LEU 267 Cb 0.05 -0.88 -0.05 0.00 0.03 0.00 0.00 46.19 45.34 1ogy s LEU 267 CO -0.05 0.20 0.53 -0.83 0.23 0.00 0.00 176.35 176.43 1ogy s GLY 268 N -0.35 1.80 0.19 -3.19 0.00 -0.61 -4.30 107.32 100.86 1ogy s GLY 268 Ca 0.05 -0.63 -0.32 0.00 0.00 0.00 0.00 44.72 43.83 1ogy s GLY 268 CO -0.00 -0.54 1.70 0.00 0.00 0.00 0.00 173.10 174.26 1ogy s ALA 269 N -2.07 3.89 -0.09 3.20 0.00 -1.15 -4.92 121.76 120.61 1ogy s ALA 269 Ca 0.43 1.52 0.15 0.00 0.00 0.00 0.00 51.96 54.06 1ogy s ALA 269 Cb -0.11 -3.69 -0.22 0.00 0.00 0.00 0.00 23.12 19.11 1ogy s ALA 269 CO 0.30 -0.92 0.57 0.25 0.00 0.00 0.00 175.76 175.97 1ogy n THR 270 N 4.06 1.43 -1.31 0.00 -2.24 -1.26 -4.32 114.28 110.63 1ogy n THR 270 Ca 0.16 -0.78 -0.31 0.00 -2.27 0.00 0.00 64.05 60.84 1ogy n THR 270 Cb 0.36 -0.83 0.11 0.00 -2.10 0.00 0.00 70.33 67.87 1ogy n THR 270 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ogy n ASP 271 N -2.93 6.52 -4.25 3.42 2.03 -1.26 -4.98 116.55 115.09 1ogy n ASP 271 Ca -0.18 -3.74 -0.35 0.00 0.52 0.00 0.00 54.79 51.04 1ogy n ASP 271 Cb 1.01 -0.93 0.08 0.00 -0.72 0.00 0.00 41.12 40.56 1ogy n ASP 271 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1ogy n ILE 272 N -0.98 0.20 -3.57 5.18 5.41 -1.26 -4.20 119.36 120.13 1ogy n ILE 272 Ca 0.62 -0.35 -0.28 0.00 1.00 0.00 0.00 62.75 63.73 1ogy n ILE 272 Cb 0.95 -0.37 -0.15 0.00 -0.71 0.00 0.00 39.64 39.36 1ogy n ILE 272 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1ogy s GLY 273 N -1.52 0.52 0.00 7.39 0.00 -1.26 -4.91 107.32 107.54 1ogy s GLY 273 Ca 0.51 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 44.25 1ogy s GLY 273 CO 0.72 1.96 0.00 -1.72 0.00 0.00 0.00 173.10 174.06 1ogy n TYR 274 N 5.22 0.00 0.00 1.90 4.02 -1.26 -4.22 117.16 122.81 1ogy n TYR 274 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 1ogy n TYR 274 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.75 1ogy n TYR 274 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ogy n GLY 275 N -0.05 0.00 0.00 2.72 0.00 -1.14 -4.36 105.19 102.36 1ogy n GLY 275 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ogy n GLY 275 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ogy n LEU 276 N 0.00 0.00 -4.84 0.99 4.77 -1.26 -3.86 117.00 112.80 1ogy n LEU 276 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 1ogy n LEU 276 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1ogy n LEU 276 CO 0.00 0.00 0.26 -0.13 -1.33 0.00 0.00 177.39 176.19 1ogy s ARG 277 N 2.49 4.04 0.15 3.23 0.52 -1.26 -5.01 118.95 123.11 1ogy s ARG 277 Ca 0.00 0.57 -0.31 0.00 -0.52 0.00 0.00 55.73 55.47 1ogy s ARG 277 Cb 0.00 -2.98 -0.08 0.00 0.52 0.00 0.00 34.95 32.41 1ogy s ARG 277 CO 0.00 0.50 1.38 -1.25 0.02 0.00 0.00 175.30 175.95 1ogy s PRO 278 N -1.82 4.33 0.00 3.54 0.04 -1.26 -1.96 135.00 137.87 1ogy s PRO 278 Ca 0.37 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.51 1ogy s PRO 278 Cb -0.16 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1ogy s PRO 278 CO 0.19 -0.40 0.00 0.39 0.04 0.00 0.00 177.00 177.22 1ogy n GLU 279 N 3.50 0.00 -2.12 4.56 1.02 -1.26 -5.08 120.64 121.25 1ogy n GLU 279 Ca 0.10 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.83 1ogy n GLU 279 Cb 0.42 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.82 1ogy n GLU 279 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1ogy s HIS 280 N 0.00 3.07 0.15 -0.32 2.46 -0.83 -4.92 115.29 114.89 1ogy s HIS 280 Ca 0.00 1.39 -0.24 0.00 0.47 0.00 0.00 55.06 56.68 1ogy s HIS 280 Cb 0.00 -3.68 0.01 0.00 -0.13 0.00 0.00 32.58 28.78 1ogy s HIS 280 CO 0.00 -1.88 1.61 1.96 -2.47 0.00 0.00 174.74 173.96 1ogy h GLN 281 N 3.58 -0.32 -1.30 2.88 4.20 -1.98 -2.53 115.11 119.63 1ogy h GLN 281 Ca -0.49 0.02 0.38 0.00 0.06 0.00 0.00 58.65 58.62 1ogy h GLN 281 Cb 1.22 0.07 -0.05 0.00 0.30 0.00 0.00 27.48 29.02 1ogy h GLN 281 CO 0.67 -0.21 1.07 -0.07 -0.67 0.00 0.00 178.83 179.61 1ogy h LEU 282 N -0.33 0.00 0.19 1.46 3.38 -1.95 0.81 115.31 118.87 1ogy h LEU 282 Ca 0.12 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.75 1ogy h LEU 282 Cb 0.52 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.28 1ogy h LEU 282 CO -0.39 0.00 -1.64 1.56 0.09 0.00 0.00 178.44 178.06 1ogy h GLN 283 N 0.00 0.41 -0.20 1.13 4.20 -1.76 -2.78 115.11 116.12 1ogy h GLN 283 Ca 0.62 -0.70 0.02 0.00 0.06 0.00 0.00 58.65 58.65 1ogy h GLN 283 Cb 2.74 0.26 -0.02 0.00 0.30 0.00 0.00 27.48 30.76 1ogy h GLN 283 CO -0.01 1.33 0.08 -0.07 -0.67 0.00 0.00 178.83 179.49 1ogy h LEU 284 N 0.06 0.10 -2.00 1.46 3.38 -0.86 -0.59 115.31 116.86 1ogy h LEU 284 Ca -0.32 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 1ogy h LEU 284 Cb 2.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.81 1ogy h LEU 284 CO 0.18 0.08 -0.09 0.00 0.09 0.00 0.00 178.44 178.71 1ogy h ALA 285 N 1.11 1.56 0.00 1.53 0.00 -1.43 -3.36 119.26 118.68 1ogy h ALA 285 Ca 0.08 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1ogy h ALA 285 Cb 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1ogy h ALA 285 CO -0.08 0.11 0.79 0.00 0.00 0.00 0.00 179.25 180.08 1ogy n ALA 286 N -2.39 3.28 -1.47 0.00 0.00 -0.23 -4.90 120.51 114.80 1ogy n ALA 286 Ca -0.02 -0.94 -0.57 0.00 0.00 0.00 0.00 53.44 51.90 1ogy n ALA 286 Cb 0.18 -2.46 -0.09 0.00 0.00 0.00 0.00 19.45 17.07 1ogy n ALA 286 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ogy n LYS 287 N 3.33 0.62 0.00 0.00 5.02 -1.26 -0.09 118.16 125.78 1ogy n LYS 287 Ca 0.22 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 1ogy n LYS 287 Cb 0.27 -1.96 0.00 0.00 -0.02 0.00 0.00 35.03 33.33 1ogy n LYS 287 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ogy n GLY 288 N 6.11 1.09 0.22 0.72 0.00 -1.26 -4.34 105.19 107.73 1ogy n GLY 288 Ca 0.42 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.58 1ogy n GLY 288 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ogy h ALA 289 N 0.00 1.00 0.00 4.61 0.00 -0.69 -3.08 119.26 121.11 1ogy h ALA 289 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1ogy h ALA 289 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ogy h ALA 289 CO 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 179.25 178.93 1ogy h ALA 290 N 2.09 1.26 -3.00 0.00 0.00 -1.94 -3.39 119.26 114.29 1ogy h ALA 290 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1ogy h ALA 290 Cb 0.72 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1ogy h ALA 290 CO 0.00 0.39 0.00 -3.47 0.00 0.00 0.00 179.25 176.17 1ogy n ASP 291 N -3.85 0.00 -1.74 0.00 -0.08 -1.18 -5.09 116.55 104.62 1ogy n ASP 291 Ca -0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 1ogy n ASP 291 Cb 0.39 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.85 1ogy n ASP 291 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ogy n ALA 292 N -3.00 -2.38 -0.21 -1.67 0.00 -1.17 -4.77 120.51 107.31 1ogy n ALA 292 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1ogy n ALA 292 Cb 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1ogy n ALA 292 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ogy n GLY 293 N 1.18 0.87 3.74 0.00 0.00 -1.26 -4.83 105.19 104.89 1ogy n GLY 293 Ca 0.00 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 1ogy n GLY 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ogy s ALA 294 N -2.00 3.31 0.00 4.61 0.00 -1.26 -4.97 121.76 121.45 1ogy s ALA 294 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1ogy s ALA 294 Cb 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.91 1ogy s ALA 294 CO 0.00 0.11 0.00 -1.33 0.00 0.00 0.00 175.76 174.54 1ogy n MET 295 N 2.12 0.00 -2.32 0.00 2.81 -1.26 -2.95 117.12 115.51 1ogy n MET 295 Ca -0.01 0.03 -0.03 0.00 -1.81 0.00 0.00 57.70 55.89 1ogy n MET 295 Cb 0.48 -0.30 -0.03 0.00 -0.71 0.00 0.00 33.22 32.67 1ogy n MET 295 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1ogy n THR 296 N -1.84-11.66 -0.59 2.03 -2.24 -1.26 -2.82 114.28 95.89 1ogy n THR 296 Ca 0.00 2.53 -0.31 0.00 -2.27 0.00 0.00 64.05 64.00 1ogy n THR 296 Cb 0.00 -5.95 0.20 0.00 -2.10 0.00 0.00 70.33 62.48 1ogy n THR 296 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1ogy n PRO 297 N 1.50 -2.05 0.00 -0.78 -0.02 -1.26 -1.96 135.00 130.44 1ogy n PRO 297 Ca -0.23 -0.58 0.00 0.00 -2.02 0.00 0.00 63.50 60.67 1ogy n PRO 297 Cb 0.35 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 1ogy n PRO 297 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1ogy n THR 298 N -4.66 0.00 -3.84 3.45 -1.04 -1.25 -4.63 114.28 102.30 1ogy n THR 298 Ca 0.01 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.91 1ogy n THR 298 Cb 0.59 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.00 1ogy n THR 298 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1ogy s ASP 299 N 1.59 -0.05 0.25 8.00 -1.08 -1.26 -4.86 116.67 119.26 1ogy s ASP 299 Ca 0.00 -0.06 -0.05 0.00 -0.52 0.00 0.00 52.55 51.91 1ogy s ASP 299 Cb 0.00 0.26 0.29 0.00 -1.46 0.00 0.00 42.92 42.01 1ogy s ASP 299 CO 0.00 -0.34 1.91 0.15 0.52 0.00 0.00 175.17 177.41 1ogy h PHE 300 N 4.43 1.22 -0.90 -5.34 3.57 -1.99 -2.58 116.94 115.35 1ogy h PHE 300 Ca -0.30 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.23 1ogy h PHE 300 Cb 1.19 -0.41 -0.04 0.00 2.79 0.00 0.00 35.95 39.48 1ogy h PHE 300 CO 0.55 0.73 0.56 0.93 -2.23 0.00 0.00 178.31 178.85 1ogy h GLU 301 N 1.28 1.21 -0.40 1.11 4.39 -2.00 -2.55 114.58 117.62 1ogy h GLU 301 Ca 0.38 -0.10 -0.13 0.00 0.34 0.00 0.00 59.36 59.85 1ogy h GLU 301 Cb -0.06 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.32 1ogy h GLU 301 CO -0.11 0.83 -0.27 1.15 -1.16 0.00 0.00 179.01 179.46 1ogy h THR 302 N 1.23 1.28 0.70 1.13 2.02 -1.87 -2.76 112.91 114.64 1ogy h THR 302 Ca 0.33 -1.43 -0.03 0.00 0.77 0.00 0.00 66.41 66.05 1ogy h THR 302 Cb -0.08 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1ogy h THR 302 CO -0.06 0.48 -0.50 0.15 0.37 0.00 0.00 175.52 175.95 1ogy h PHE 303 N 0.69 -1.36 -0.91 3.16 3.57 -1.37 -1.67 116.94 119.05 1ogy h PHE 303 Ca 0.08 -0.00 0.26 0.00 3.53 0.00 0.00 57.97 61.83 1ogy h PHE 303 Cb 0.85 0.50 -0.15 0.00 2.79 0.00 0.00 35.95 39.94 1ogy h PHE 303 CO 0.06 -0.72 0.25 0.00 -2.23 0.00 0.00 178.31 175.67 1ogy h ALA 304 N -1.08 1.36 0.00 2.41 0.00 -1.46 0.47 119.26 120.96 1ogy h ALA 304 Ca -0.09 0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1ogy h ALA 304 Cb 0.94 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1ogy h ALA 304 CO 0.05 -0.52 -0.40 0.00 0.00 0.00 0.00 179.25 178.38 1ogy h ALA 305 N 1.83 1.20 -0.12 0.00 0.00 -1.18 -1.43 119.26 119.56 1ogy h ALA 305 Ca 0.59 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.98 1ogy h ALA 305 Cb 1.24 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.97 1ogy h ALA 305 CO -0.70 0.50 -0.54 1.25 0.00 0.00 0.00 179.25 179.76 1ogy h LEU 306 N 0.00 0.69 -1.12 0.00 5.85 0.82 -2.93 115.31 118.62 1ogy h LEU 306 Ca -0.00 -0.63 0.00 0.00 0.84 0.00 0.00 57.88 58.09 1ogy h LEU 306 Cb 0.77 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1ogy h LEU 306 CO 0.05 1.20 0.00 0.58 -0.34 0.00 0.00 178.44 179.93 1ogy h VAL 307 N 0.21 0.00 -0.21 1.05 2.07 -0.89 -2.93 116.25 115.56 1ogy h VAL 307 Ca -0.03 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 1ogy h VAL 307 Cb 1.18 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1ogy h VAL 307 CO 0.11 0.00 -0.19 0.28 0.02 0.00 0.00 177.57 177.79 1ogy h SER 308 N 0.00 0.35 -0.40 0.57 0.02 -1.06 -2.77 113.55 110.26 1ogy h SER 308 Ca 0.00 -0.10 0.09 0.00 -0.84 0.00 0.00 61.79 60.94 1ogy h SER 308 Cb 0.38 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1ogy h SER 308 CO 0.00 0.56 0.28 -0.08 -1.14 0.00 0.00 176.83 176.45 1ogy h GLU 309 N 0.33 0.14 -4.46 3.45 4.81 -1.63 -3.28 114.58 113.94 1ogy h GLU 309 Ca 0.06 -0.01 -0.74 0.00 -0.13 0.00 0.00 59.36 58.54 1ogy h GLU 309 Cb 0.54 -0.03 -0.17 0.00 0.63 0.00 0.00 28.75 29.71 1ogy h GLU 309 CO 0.04 0.09 1.53 0.66 -0.73 0.00 0.00 179.01 180.60 1ogy n TYR 310 N -4.45 4.48 -1.65 0.92 4.01 -1.05 -4.84 117.16 114.58 1ogy n TYR 310 Ca 0.06 -3.22 -0.32 0.00 -0.16 0.00 0.00 57.90 54.26 1ogy n TYR 310 Cb 0.37 -2.14 0.05 0.00 -0.31 0.00 0.00 39.34 37.31 1ogy n TYR 310 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1ogy s THR 311 N 1.30 3.65 0.24 -0.72 2.01 -1.24 -4.18 115.64 116.71 1ogy s THR 311 Ca 0.42 0.64 -0.04 0.00 0.31 0.00 0.00 61.69 63.02 1ogy s THR 311 Cb 0.00 -3.22 0.21 0.00 0.01 0.00 0.00 72.50 69.51 1ogy s THR 311 CO 0.00 -0.60 1.81 0.25 -0.69 0.00 0.00 174.62 175.40 1ogy h LEU 312 N -0.38 0.69 -1.65 4.42 5.85 -1.94 0.62 115.31 122.92 1ogy h LEU 312 Ca -0.45 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 1ogy h LEU 312 Cb 1.22 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1ogy h LEU 312 CO 0.55 0.40 0.05 -0.33 -0.34 0.00 0.00 178.44 178.77 1ogy h GLU 313 N 0.80 0.27 0.07 1.25 3.07 -1.98 -1.44 114.58 116.63 1ogy h GLU 313 Ca 0.40 -0.03 -0.16 0.00 -0.50 0.00 0.00 59.36 59.07 1ogy h GLU 313 Cb 0.35 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1ogy h GLU 313 CO -0.24 0.25 -0.79 -0.22 -1.40 0.00 0.00 179.01 176.62 1ogy h LYS 314 N 0.27 0.15 -0.38 2.33 3.64 -0.67 -2.98 116.57 118.93 1ogy h LYS 314 Ca 0.07 -0.26 0.08 0.00 -1.27 0.00 0.00 60.65 59.27 1ogy h LYS 314 Cb 0.10 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 31.95 1ogy h LYS 314 CO -0.00 1.12 -0.10 0.00 -2.27 0.00 0.00 179.45 178.20 1ogy h ALA 315 N -0.06 0.24 -0.62 5.00 0.00 0.10 -0.20 119.26 123.73 1ogy h ALA 315 Ca -0.17 0.15 0.10 0.00 0.00 0.00 0.00 54.91 54.98 1ogy h ALA 315 Cb 1.43 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 19.44 1ogy h ALA 315 CO 0.03 -0.46 0.23 0.00 0.00 0.00 0.00 179.25 179.05 1ogy h ALA 316 N 1.37 0.80 -0.67 0.00 0.00 -1.38 -0.39 119.26 118.99 1ogy h ALA 316 Ca 0.18 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1ogy h ALA 316 Cb 0.28 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1ogy h ALA 316 CO -0.40 -0.19 0.41 1.49 0.00 0.00 0.00 179.25 180.56 1ogy h GLU 317 N 0.41 0.78 -0.17 0.00 4.57 -0.91 -0.68 114.58 118.58 1ogy h GLU 317 Ca 0.31 -0.05 -0.20 0.00 -1.18 0.00 0.00 59.36 58.24 1ogy h GLU 317 Cb 0.39 -0.18 0.01 0.00 -0.16 0.00 0.00 28.75 28.81 1ogy h GLU 317 CO -0.31 0.52 -0.68 0.82 -1.18 0.00 0.00 179.01 178.17 1ogy h ILE 318 N 0.81 1.29 0.16 2.32 2.04 -0.54 -3.38 117.51 120.21 1ogy h ILE 318 Ca 0.27 -1.89 -0.01 0.00 1.00 0.00 0.00 64.86 64.23 1ogy h ILE 318 Cb 0.03 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 1ogy h ILE 318 CO -0.11 0.60 -0.08 0.28 0.00 0.00 0.00 178.15 178.84 1ogy h SER 319 N 0.48 -0.19 0.00 1.72 0.02 -0.98 -3.44 113.55 111.17 1ogy h SER 319 Ca -0.04 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1ogy h SER 319 Cb 1.31 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.90 1ogy h SER 319 CO 0.14 0.19 0.00 0.61 -1.14 0.00 0.00 176.83 176.63 1ogy n GLY 320 N 1.14 1.59 3.82 -3.77 0.00 -0.27 -2.61 105.19 105.09 1ogy n GLY 320 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 1ogy n GLY 320 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ogy s VAL 321 N -1.98 5.31 0.22 1.61 -7.23 -1.24 -4.98 120.40 112.11 1ogy s VAL 321 Ca 0.00 0.47 -0.32 0.00 -1.81 0.00 0.00 61.98 60.32 1ogy s VAL 321 Cb 0.00 -3.55 -0.12 0.00 0.56 0.00 0.00 36.38 33.27 1ogy s VAL 321 CO 0.00 0.54 1.70 -1.61 -0.31 0.00 0.00 175.10 175.42 1ogy s GLU 322 N -0.58 4.12 0.46 4.82 0.41 -1.26 -4.66 118.70 122.00 1ogy s GLU 322 Ca 0.17 2.60 0.26 0.00 -0.41 0.00 0.00 54.97 57.60 1ogy s GLU 322 Cb -0.14 -3.07 1.30 0.00 -1.78 0.00 0.00 34.13 30.45 1ogy s GLU 322 CO 0.06 -0.74 1.78 -1.00 -0.49 0.00 0.00 175.26 174.87 1ogy h PRO 323 N 6.50 0.21 -0.76 0.39 0.13 -1.93 -1.57 132.00 134.97 1ogy h PRO 323 Ca -0.44 -0.01 0.12 0.00 -0.87 0.00 0.00 66.00 64.80 1ogy h PRO 323 Cb 1.20 -0.05 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 1ogy h PRO 323 CO 0.93 0.14 0.50 0.00 -0.23 0.00 0.00 178.00 179.34 1ogy h ALA 324 N 1.54 1.93 -0.15 -0.56 0.00 -1.99 0.51 119.26 120.54 1ogy h ALA 324 Ca 0.60 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.36 1ogy h ALA 324 Cb 1.86 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1ogy h ALA 324 CO -0.19 -0.11 -0.48 -0.07 0.00 0.00 0.00 179.25 178.40 1ogy h LEU 325 N 0.57 0.68 -1.86 0.00 4.07 -1.64 -1.81 115.31 115.30 1ogy h LEU 325 Ca 0.36 -0.60 -0.02 0.00 0.08 0.00 0.00 57.88 57.69 1ogy h LEU 325 Cb 0.62 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 42.16 1ogy h LEU 325 CO -0.13 1.16 -0.12 -0.07 -1.08 0.00 0.00 178.44 178.21 1ogy h LEU 326 N 0.23 0.00 -0.53 1.67 4.07 -1.32 0.10 115.31 119.53 1ogy h LEU 326 Ca -0.02 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.78 1ogy h LEU 326 Cb 1.11 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.84 1ogy h LEU 326 CO 0.10 0.12 -0.66 -0.33 -1.08 0.00 0.00 178.44 176.59 1ogy h GLU 327 N 0.00 0.31 -0.20 1.13 5.08 -0.68 -0.87 114.58 119.34 1ogy h GLU 327 Ca -0.00 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.07 1ogy h GLU 327 Cb 0.23 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1ogy h GLU 327 CO 0.02 0.86 -0.08 0.93 -1.00 0.00 0.00 179.01 179.73 1ogy h GLU 328 N 0.22 0.41 0.00 2.33 5.08 -0.11 -2.32 114.58 120.19 1ogy h GLU 328 Ca -0.02 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1ogy h GLU 328 Cb 1.20 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1ogy h GLU 328 CO 0.11 0.69 0.00 -0.11 -1.00 0.00 0.00 179.01 178.70 1ogy n LEU 329 N -4.58 0.00 -0.16 1.33 7.94 0.16 -2.67 117.00 119.02 1ogy n LEU 329 Ca -0.05 0.86 -0.01 0.00 -1.11 0.00 0.00 56.01 55.70 1ogy n LEU 329 Cb 0.31 -0.36 0.00 0.00 0.53 0.00 0.00 43.42 43.90 1ogy n LEU 329 CO 0.39 -0.36 0.22 0.00 -1.11 0.00 0.00 177.39 176.53 1ogy n ALA 330 N -1.60 -0.10 -0.33 1.96 0.00 -0.34 0.36 120.51 120.46 1ogy n ALA 330 Ca 0.00 0.38 0.01 0.00 0.00 0.00 0.00 53.44 53.83 1ogy n ALA 330 Cb 0.00 -0.15 0.14 0.00 0.00 0.00 0.00 19.45 19.44 1ogy n ALA 330 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ogy h GLU 331 N 0.00 1.02 0.40 0.00 4.39 -1.41 -2.36 114.58 116.63 1ogy h GLU 331 Ca 0.12 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1ogy h GLU 331 Cb 0.22 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1ogy h GLU 331 CO -0.39 0.68 -0.19 -0.07 -1.16 0.00 0.00 179.01 177.87 1ogy h LEU 332 N 1.05 -0.46 0.00 1.33 4.07 0.13 0.36 115.31 121.80 1ogy h LEU 332 Ca 0.38 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.33 1ogy h LEU 332 Cb 0.12 0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.98 1ogy h LEU 332 CO -0.16 -0.29 0.01 -1.22 -1.08 0.00 0.00 178.44 175.70 1ogy n TYR 333 N -5.31 0.00 -0.00 1.13 4.02 -1.04 -3.64 117.16 112.33 1ogy n TYR 333 Ca -0.11 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.78 1ogy n TYR 333 Cb 0.24 -0.23 -0.00 0.00 -0.02 0.00 0.00 39.34 39.33 1ogy n TYR 333 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ogy n ALA 334 N -1.21 2.00 -1.56 -0.72 0.00 0.37 -4.94 120.51 114.44 1ogy n ALA 334 Ca 0.00 -0.01 -0.47 0.00 0.00 0.00 0.00 53.44 52.96 1ogy n ALA 334 Cb 0.01 0.45 -0.05 0.00 0.00 0.00 0.00 19.45 19.86 1ogy n ALA 334 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ogy n ASP 335 N -2.41 2.89 -1.59 0.00 5.75 1.00 -4.63 116.55 117.56 1ogy n ASP 335 Ca -0.00 0.43 0.00 0.00 -0.01 0.00 0.00 54.79 55.21 1ogy n ASP 335 Cb 0.50 -1.41 0.00 0.00 -1.03 0.00 0.00 41.12 39.18 1ogy n ASP 335 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1ogy n PRO 336 N 8.16 0.00 0.00 0.11 -0.04 -1.26 -0.77 135.00 141.20 1ogy n PRO 336 Ca 0.33 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 1ogy n PRO 336 Cb 0.34 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 1ogy n PRO 336 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ogy n ASP 337 N 1.56 0.29 -4.66 3.54 9.92 -1.26 -5.02 116.55 120.92 1ogy n ASP 337 Ca 0.00 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.84 1ogy n ASP 337 Cb 0.00 0.05 -0.03 0.00 -0.64 0.00 0.00 41.12 40.50 1ogy n ASP 337 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1ogy s ARG 338 N -0.45 4.19 -0.60 -1.24 3.52 0.05 -4.91 118.95 119.50 1ogy s ARG 338 Ca 0.00 2.05 -0.26 0.00 -0.13 0.00 0.00 55.73 57.39 1ogy s ARG 338 Cb 0.00 -3.93 0.04 0.00 -1.56 0.00 0.00 34.95 29.50 1ogy s ARG 338 CO 0.00 -0.81 1.12 0.15 -0.81 0.00 0.00 175.30 174.95 1ogy s LYS 339 N 3.90 3.39 0.60 5.12 1.02 -1.26 -4.90 119.74 127.61 1ogy s LYS 339 Ca 0.69 -0.04 -0.14 0.00 0.02 0.00 0.00 55.97 56.50 1ogy s LYS 339 Cb -0.30 -4.06 -0.04 0.00 -0.52 0.00 0.00 37.83 32.90 1ogy s LYS 339 CO 0.26 -1.70 1.03 -0.46 -0.92 0.00 0.00 175.35 173.55 1ogy s TRP 340 N 4.73 3.34 -0.38 3.18 -0.00 -1.26 -1.35 118.94 127.19 1ogy s TRP 340 Ca 0.37 1.42 0.03 0.00 -0.00 0.00 0.00 56.10 57.92 1ogy s TRP 340 Cb -0.10 -2.84 0.16 0.00 -0.00 0.00 0.00 33.47 30.70 1ogy s TRP 340 CO 0.21 -0.79 0.38 1.41 -0.00 0.00 0.00 176.95 178.17 1ogy s MET 341 N -4.57 0.69 0.07 5.86 -2.45 -0.92 -1.86 119.30 116.12 1ogy s MET 341 Ca 0.59 -1.06 -0.27 0.00 -1.25 0.00 0.00 55.69 53.70 1ogy s MET 341 Cb -0.12 -0.81 -0.05 0.00 1.25 0.00 0.00 34.83 35.10 1ogy s MET 341 CO 0.43 -1.23 0.86 -1.12 1.05 0.00 0.00 175.02 175.01 1ogy s SER 342 N 1.21 7.33 -0.02 1.11 0.01 -0.52 -2.34 113.70 120.47 1ogy s SER 342 Ca 0.19 1.60 0.05 0.00 1.31 0.00 0.00 55.95 59.10 1ogy s SER 342 Cb -0.13 -2.52 -0.01 0.00 0.21 0.00 0.00 66.02 63.57 1ogy s SER 342 CO -0.04 -0.04 -0.16 -0.76 0.41 0.00 0.00 173.24 172.65 1ogy s LEU 343 N 0.05 1.98 -0.08 2.44 1.43 0.71 0.74 118.68 125.95 1ogy s LEU 343 Ca 0.43 -0.30 -0.13 0.00 -1.03 0.00 0.00 54.13 53.09 1ogy s LEU 343 Cb -0.22 -0.85 0.03 0.00 0.03 0.00 0.00 46.19 45.19 1ogy s LEU 343 CO 0.26 0.18 0.33 -1.66 0.23 0.00 0.00 176.35 175.69 1ogy s TRP 344 N -0.22 -0.30 0.00 0.29 -2.14 -1.15 -0.59 118.94 114.82 1ogy s TRP 344 Ca 0.03 0.65 0.00 0.00 2.66 0.00 0.00 56.10 59.44 1ogy s TRP 344 Cb -0.08 0.12 0.00 0.00 -3.10 0.00 0.00 33.47 30.41 1ogy s TRP 344 CO 0.00 -0.27 0.00 2.41 -2.66 0.00 0.00 176.95 176.43 1ogy n THR 345 N 2.20 0.00 0.24 0.66 -1.04 -1.26 -1.86 114.28 113.22 1ogy n THR 345 Ca -0.17 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 61.96 1ogy n THR 345 Cb 0.57 0.00 0.61 0.00 -1.82 0.00 0.00 70.33 69.68 1ogy n THR 345 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 1ogy h MET 346 N 0.00 0.00 -0.58 -2.82 2.86 -1.89 -2.57 114.93 109.94 1ogy h MET 346 Ca 0.00 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.72 1ogy h MET 346 Cb 0.00 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.59 1ogy h MET 346 CO 0.00 0.00 0.22 0.78 1.06 0.00 0.00 176.91 178.97 1ogy h GLY 347 N 0.00 0.80 0.97 8.32 0.00 -1.82 0.57 103.07 111.90 1ogy h GLY 347 Ca 0.00 -0.12 -0.34 0.00 0.00 0.00 0.00 47.33 46.87 1ogy h GLY 347 CO 0.00 -0.00 -1.73 0.74 0.00 0.00 0.00 176.54 175.55 1ogy h PHE 348 N 0.40 0.59 -0.20 5.60 -1.00 -1.68 -3.40 116.94 117.24 1ogy h PHE 348 Ca 0.28 -0.43 -0.20 0.00 2.81 0.00 0.00 57.97 60.44 1ogy h PHE 348 Cb 0.33 -0.02 0.01 0.00 3.61 0.00 0.00 35.95 39.87 1ogy h PHE 348 CO -0.16 1.59 -0.65 -0.91 -1.61 0.00 0.00 178.31 176.57 1ogy h ASN 349 N 0.09 0.92 -1.60 2.17 4.21 -1.35 -3.25 115.58 116.77 1ogy h ASN 349 Ca -0.33 -0.59 -0.77 0.00 1.21 0.00 0.00 56.30 55.83 1ogy h ASN 349 Cb 2.07 -0.27 -0.18 0.00 -1.12 0.00 0.00 38.32 38.82 1ogy h ASN 349 CO 0.16 1.35 1.85 0.00 -1.29 0.00 0.00 177.43 179.50 1ogy n GLN 350 N -4.01 4.93 -4.44 0.81 6.02 0.18 -4.57 117.38 116.29 1ogy n GLN 350 Ca -0.06 -3.94 -0.23 0.00 -0.01 0.00 0.00 57.00 52.75 1ogy n GLN 350 Cb 0.68 -2.56 -0.17 0.00 1.02 0.00 0.00 30.24 29.21 1ogy n GLN 350 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1ogy s HIS 351 N -2.45 1.26 -1.13 1.08 2.46 -1.23 -3.91 115.29 111.36 1ogy s HIS 351 Ca 0.48 -0.45 0.00 0.00 0.47 0.00 0.00 55.06 55.56 1ogy s HIS 351 Cb 0.19 -0.96 0.00 0.00 -0.13 0.00 0.00 32.58 31.68 1ogy s HIS 351 CO -0.11 -0.26 0.90 1.33 -2.47 0.00 0.00 174.74 174.13 1ogy n VAL 352 N 3.92 1.61 -2.54 0.89 0.24 -1.26 0.37 118.33 121.55 1ogy n VAL 352 Ca -0.23 0.41 -0.05 0.00 -2.04 0.00 0.00 64.34 62.44 1ogy n VAL 352 Cb 0.51 -1.41 0.05 0.00 -1.47 0.00 0.00 33.84 31.52 1ogy n VAL 352 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1ogy n ARG 353 N -1.40 1.95 -0.09 7.34 5.12 -1.26 -4.15 116.66 124.17 1ogy n ARG 353 Ca 0.00 -3.47 -0.10 0.00 -1.93 0.00 0.00 57.85 52.35 1ogy n ARG 353 Cb 0.01 -1.57 -0.03 0.00 -1.16 0.00 0.00 32.46 29.72 1ogy n ARG 353 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1ogy h GLY 354 N 2.22 0.47 0.69 -0.13 0.00 -0.21 -1.81 103.07 104.30 1ogy h GLY 354 Ca -0.02 -0.27 0.10 0.00 0.00 0.00 0.00 47.33 47.13 1ogy h GLY 354 CO 0.30 0.26 0.60 -2.08 0.00 0.00 0.00 176.54 175.61 1ogy h VAL 355 N 0.29 0.98 -0.27 4.60 2.07 -1.81 0.17 116.25 122.28 1ogy h VAL 355 Ca 0.09 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1ogy h VAL 355 Cb 0.23 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 1ogy h VAL 355 CO -0.00 0.17 0.09 -0.50 0.02 0.00 0.00 177.57 177.35 1ogy h TRP 356 N 0.95 0.44 0.14 1.57 4.06 -1.87 -0.58 115.95 120.66 1ogy h TRP 356 Ca 0.43 -0.04 0.02 0.00 2.06 0.00 0.00 58.89 61.35 1ogy h TRP 356 Cb 0.38 -0.13 -0.03 0.00 -1.00 0.00 0.00 29.16 28.38 1ogy h TRP 356 CO -0.00 0.47 -0.26 0.00 -3.56 0.00 0.00 178.44 175.09 1ogy h ALA 357 N 0.92 -0.45 -0.36 1.49 0.00 -0.24 0.70 119.26 121.32 1ogy h ALA 357 Ca 0.09 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.03 1ogy h ALA 357 Cb 0.23 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 18.35 1ogy h ALA 357 CO -0.00 -0.80 -0.23 -0.91 0.00 0.00 0.00 179.25 177.30 1ogy h ASN 358 N -0.48 -0.77 -0.16 0.00 2.35 -0.70 -0.56 115.58 115.27 1ogy h ASN 358 Ca 0.02 0.16 0.05 0.00 -0.55 0.00 0.00 56.30 55.98 1ogy h ASN 358 Cb 0.50 0.39 -0.07 0.00 0.05 0.00 0.00 38.32 39.19 1ogy h ASN 358 CO -0.13 -0.26 -0.36 0.45 -1.65 0.00 0.00 177.43 175.48 1ogy h HIS 359 N -0.18 -1.00 -0.93 1.19 3.86 0.27 -1.33 115.15 117.03 1ogy h HIS 359 Ca 0.18 0.04 0.19 0.00 -1.16 0.00 0.00 60.37 59.62 1ogy h HIS 359 Cb 0.46 0.46 -0.08 0.00 1.06 0.00 0.00 27.41 29.31 1ogy h HIS 359 CO -0.44 -0.42 0.60 0.52 0.86 0.00 0.00 177.93 179.04 1ogy h MET 360 N -0.41 0.54 -0.35 2.45 2.86 0.18 -1.41 114.93 118.79 1ogy h MET 360 Ca 0.10 -0.03 -0.13 0.00 -2.06 0.00 0.00 59.70 57.57 1ogy h MET 360 Cb 0.57 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 1ogy h MET 360 CO -0.39 0.36 -0.30 0.28 1.06 0.00 0.00 176.91 177.92 1ogy h VAL 361 N 0.55 1.29 -0.74 -2.22 2.07 -0.04 -2.72 116.25 114.44 1ogy h VAL 361 Ca 0.49 -1.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 1ogy h VAL 361 Cb 1.02 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 32.20 1ogy h VAL 361 CO -0.23 0.48 0.42 1.88 0.02 0.00 0.00 177.57 180.14 1ogy h TYR 362 N 0.60 0.98 -0.33 1.57 0.99 -0.77 -2.79 116.97 117.23 1ogy h TYR 362 Ca 0.06 -0.01 0.07 0.00 2.00 0.00 0.00 58.73 60.85 1ogy h TYR 362 Cb 0.87 -0.32 -0.07 0.00 1.00 0.00 0.00 36.73 38.21 1ogy h TYR 362 CO 0.07 0.67 -0.15 -0.91 -0.00 0.00 0.00 178.16 177.84 1ogy h ASN 363 N 1.02 -0.50 -0.99 3.88 2.35 -1.08 1.06 115.58 121.33 1ogy h ASN 363 Ca 0.26 0.12 0.15 0.00 -0.55 0.00 0.00 56.30 56.29 1ogy h ASN 363 Cb -0.01 0.28 -0.10 0.00 0.05 0.00 0.00 38.32 38.54 1ogy h ASN 363 CO -0.05 -0.18 0.60 -0.07 -1.65 0.00 0.00 177.43 176.09 1ogy h LEU 364 N -0.09 0.83 -0.03 1.61 3.38 -1.33 0.48 115.31 120.16 1ogy h LEU 364 Ca 0.17 0.07 -0.10 0.00 0.09 0.00 0.00 57.88 58.11 1ogy h LEU 364 Cb 0.34 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.02 1ogy h LEU 364 CO -0.39 0.37 -0.37 0.45 0.09 0.00 0.00 178.44 178.60 1ogy h HIS 365 N 0.86 0.42 -0.03 1.13 3.86 -0.65 -2.98 115.15 117.76 1ogy h HIS 365 Ca 0.53 -0.21 0.00 0.00 -1.16 0.00 0.00 60.37 59.53 1ogy h HIS 365 Cb 0.68 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 29.09 1ogy h HIS 365 CO -0.01 0.99 0.01 -0.07 0.86 0.00 0.00 177.93 179.71 1ogy h LEU 366 N -0.26 0.00 -1.22 2.43 3.38 0.19 0.42 115.31 120.25 1ogy h LEU 366 Ca -0.04 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.12 1ogy h LEU 366 Cb 1.07 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.74 1ogy h LEU 366 CO 0.07 0.01 0.61 -0.07 0.09 0.00 0.00 178.44 179.15 1ogy h LEU 367 N 0.02 0.64 0.00 1.67 4.07 -0.18 -2.17 115.31 119.37 1ogy h LEU 367 Ca 0.01 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1ogy h LEU 367 Cb 0.01 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.70 1ogy h LEU 367 CO -0.02 0.25 -0.99 0.35 -1.08 0.00 0.00 178.44 176.96 1ogy n THR 368 N -4.64 0.09 -1.13 0.22 -2.24 -0.82 -0.51 114.28 105.25 1ogy n THR 368 Ca 0.21 -0.16 -0.01 0.00 -2.27 0.00 0.00 64.05 61.83 1ogy n THR 368 Cb 0.60 0.40 -0.00 0.00 -2.10 0.00 0.00 70.33 69.23 1ogy n THR 368 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ogy n GLY 369 N 1.42 0.41 3.37 3.38 0.00 0.14 -4.48 105.19 109.43 1ogy n GLY 369 Ca 0.03 -1.05 -0.45 0.00 0.00 0.00 0.00 46.02 44.55 1ogy n GLY 369 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ogy n LYS 370 N -2.76 3.51 -3.55 1.61 5.02 -0.55 -4.95 118.16 116.49 1ogy n LYS 370 Ca -0.01 -4.31 -0.17 0.00 -2.02 0.00 0.00 58.31 51.80 1ogy n LYS 370 Cb 0.08 -2.67 -0.06 0.00 -0.02 0.00 0.00 35.03 32.35 1ogy n LYS 370 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1ogy s ILE 371 N -0.59 0.01 -1.55 -0.18 2.07 -1.25 -4.26 121.20 115.44 1ogy s ILE 371 Ca 0.34 -0.06 -0.04 0.00 -1.41 0.00 0.00 60.65 59.49 1ogy s ILE 371 Cb -0.08 -0.95 0.01 0.00 0.13 0.00 0.00 42.46 41.57 1ogy s ILE 371 CO -0.06 -0.03 0.43 -1.20 -1.91 0.00 0.00 174.94 172.18 1ogy n SER 372 N 1.04 -5.72 -4.11 4.50 7.64 -1.23 -4.99 113.62 110.76 1ogy n SER 372 Ca -0.19 -0.21 -0.12 0.00 1.01 0.00 0.00 58.87 59.35 1ogy n SER 372 Cb 0.57 -4.67 -0.11 0.00 -1.01 0.00 0.00 64.21 58.99 1ogy n SER 372 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1ogy s GLU 373 N -5.56 0.65 0.08 1.43 2.02 -1.22 -4.76 118.70 111.34 1ogy s GLU 373 Ca 0.23 -0.98 -0.31 0.00 0.02 0.00 0.00 54.97 53.94 1ogy s GLU 373 Cb -0.11 -0.28 -0.09 0.00 0.10 0.00 0.00 34.13 33.75 1ogy s GLU 373 CO 0.29 0.03 1.82 -1.25 0.02 0.00 0.00 175.26 176.17 1ogy s PRO 374 N -2.42 4.15 0.00 0.39 0.04 -1.26 -1.98 135.00 133.92 1ogy s PRO 374 Ca -0.02 2.52 0.00 0.00 0.04 0.00 0.00 61.00 63.55 1ogy s PRO 374 Cb -0.04 -3.78 0.00 0.00 0.04 0.00 0.00 34.50 30.72 1ogy s PRO 374 CO -0.01 -0.85 0.00 0.41 0.04 0.00 0.00 177.00 176.58 1ogy n GLY 375 N 4.27 2.82 3.31 0.56 0.00 -1.26 -4.81 105.19 110.07 1ogy n GLY 375 Ca 0.18 -0.18 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1ogy n GLY 375 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ogy s ASN 376 N 0.56 6.03 -0.27 1.61 0.02 -0.84 -4.15 114.94 117.91 1ogy s ASN 376 Ca 0.00 -1.66 -0.23 0.00 -1.02 0.00 0.00 52.86 49.95 1ogy s ASN 376 Cb 0.00 -2.14 0.08 0.00 0.02 0.00 0.00 41.25 39.21 1ogy s ASN 376 CO 0.00 -0.74 0.78 -0.94 0.02 0.00 0.00 177.10 176.22 1ogy s SER 377 N 3.01 -0.72 -0.66 -1.22 1.04 -0.78 -3.40 113.70 110.96 1ogy s SER 377 Ca 0.04 1.34 -0.19 0.00 0.48 0.00 0.00 55.95 57.62 1ogy s SER 377 Cb -0.27 1.35 0.11 0.00 0.10 0.00 0.00 66.02 67.31 1ogy s SER 377 CO 0.03 -0.23 0.81 -2.16 0.98 0.00 0.00 173.24 172.68 1ogy s PRO 378 N 0.60 3.16 -0.24 4.02 0.04 -1.26 -1.44 135.00 139.87 1ogy s PRO 378 Ca -0.01 -1.35 -0.16 0.00 0.04 0.00 0.00 61.00 59.52 1ogy s PRO 378 Cb -0.05 -4.35 -0.04 0.00 0.04 0.00 0.00 34.50 30.11 1ogy s PRO 378 CO -0.04 -1.61 0.40 0.12 0.04 0.00 0.00 177.00 175.90 1ogy s PHE 379 N 2.80 3.29 -0.27 0.56 5.36 0.23 -4.82 117.98 125.13 1ogy s PHE 379 Ca 0.16 0.51 -0.20 0.00 -0.96 0.00 0.00 56.93 56.45 1ogy s PHE 379 Cb -0.20 -2.57 -0.02 0.00 -0.34 0.00 0.00 43.02 39.90 1ogy s PHE 379 CO 0.04 -0.15 0.60 0.45 -1.46 0.00 0.00 175.22 174.69 1ogy s SER 380 N 1.40 6.51 0.12 6.13 0.15 -1.26 -2.95 113.70 123.80 1ogy s SER 380 Ca 0.17 0.56 -0.29 0.00 0.70 0.00 0.00 55.95 57.08 1ogy s SER 380 Cb -0.15 -2.32 -0.06 0.00 -1.71 0.00 0.00 66.02 61.78 1ogy s SER 380 CO 0.09 -0.38 0.93 -0.76 1.20 0.00 0.00 173.24 174.32 1ogy s LEU 381 N 2.48 4.52 -0.02 3.45 1.43 -0.78 -4.90 118.68 124.87 1ogy s LEU 381 Ca 0.24 1.78 -0.01 0.00 -1.03 0.00 0.00 54.13 55.11 1ogy s LEU 381 Cb -0.15 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 1ogy s LEU 381 CO 0.10 -0.02 0.07 -0.89 0.23 0.00 0.00 176.35 175.84 1ogy s THR 382 N -0.21 4.66 -0.01 5.49 2.01 -1.26 -4.68 115.64 121.63 1ogy s THR 382 Ca 0.45 -0.38 -0.00 0.00 0.31 0.00 0.00 61.69 62.06 1ogy s THR 382 Cb -0.23 -3.10 -0.00 0.00 0.01 0.00 0.00 72.50 69.17 1ogy s THR 382 CO 0.29 0.39 0.10 1.23 -0.69 0.00 0.00 174.62 175.94 1ogy h GLY 383 N 4.28 -0.02 -1.03 4.40 0.00 -1.94 -3.30 103.07 105.46 1ogy h GLY 383 Ca -0.50 0.01 -0.46 0.00 0.00 0.00 0.00 47.33 46.38 1ogy h GLY 383 CO 0.61 -0.01 0.14 1.20 0.00 0.00 0.00 176.54 178.48 1ogy s GLN 384 N -1.29 0.17 0.23 4.80 -0.21 -1.26 0.79 119.66 122.89 1ogy s GLN 384 Ca -0.00 0.76 -0.06 0.00 0.02 0.00 0.00 55.36 56.08 1ogy s GLN 384 Cb 0.00 -1.69 0.21 0.00 1.00 0.00 0.00 33.01 32.54 1ogy s GLN 384 CO 0.01 -2.97 1.82 -1.00 -2.12 0.00 0.00 175.29 171.02 1ogy h PRO 385 N -2.08 1.18 -0.65 2.91 0.13 -1.56 -3.21 132.00 128.72 1ogy h PRO 385 Ca -0.55 -0.19 -0.32 0.00 -0.87 0.00 0.00 66.00 64.07 1ogy h PRO 385 Cb 1.32 -0.20 -0.40 0.00 0.13 0.00 0.00 31.00 31.84 1ogy h PRO 385 CO 0.53 0.92 -1.09 1.97 -0.23 0.00 0.00 178.00 180.11 1ogy n PHE 386 N -4.30 1.49 0.19 1.56 1.16 0.99 -3.47 117.46 115.10 1ogy n PHE 386 Ca 0.08 -2.35 0.04 0.00 -1.87 0.00 0.00 57.45 53.35 1ogy n PHE 386 Cb 0.16 -0.27 0.39 0.00 -1.61 0.00 0.00 39.48 38.15 1ogy n PHE 386 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1ogy h ALA 387 N 2.66 1.24 0.00 1.98 0.00 -1.57 -0.21 119.26 123.36 1ogy h ALA 387 Ca -0.05 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1ogy h ALA 387 Cb 1.26 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ogy h ALA 387 CO 0.35 0.44 -0.04 0.00 0.00 0.00 0.00 179.25 180.01 1ogy h GLY 389 N -0.19 0.99 0.00 0.00 0.00 -1.52 0.26 103.07 102.61 1ogy h GLY 389 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1ogy h GLY 389 CO 0.00 -0.18 0.00 2.41 0.00 0.00 0.00 176.54 178.77 1ogy n THR 390 N -4.55 0.00 -0.22 4.70 -1.04 -0.10 -4.06 114.28 109.01 1ogy n THR 390 Ca 0.29 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.24 1ogy n THR 390 Cb 1.11 -0.65 -0.05 0.00 -1.82 0.00 0.00 70.33 68.92 1ogy n THR 390 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ogy n ALA 391 N -1.46 -0.34 0.26 2.41 0.00 -1.14 -0.14 120.51 120.10 1ogy n ALA 391 Ca 0.00 0.45 -0.11 0.00 0.00 0.00 0.00 53.44 53.78 1ogy n ALA 391 Cb 0.00 0.12 -0.05 0.00 0.00 0.00 0.00 19.45 19.52 1ogy n ALA 391 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ogy h ARG 392 N 0.00 -0.68 -0.52 0.00 3.08 -0.23 0.29 114.38 116.33 1ogy h ARG 392 Ca 0.08 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1ogy h ARG 392 Cb 0.22 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 1ogy h ARG 392 CO -0.50 -0.45 0.34 0.93 -1.07 0.00 0.00 179.97 179.23 1ogy h GLU 393 N -1.03 0.69 0.00 0.04 5.08 -0.38 -1.12 114.58 117.86 1ogy h GLU 393 Ca -0.07 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1ogy h GLU 393 Cb 0.54 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1ogy h GLU 393 CO 0.12 0.46 0.00 0.28 -1.00 0.00 0.00 179.01 178.86 1ogy h VAL 394 N 0.71 0.00 -3.94 3.13 2.07 -0.68 -2.90 116.25 114.64 1ogy h VAL 394 Ca 0.19 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1ogy h VAL 394 Cb -0.08 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1ogy h VAL 394 CO -0.04 0.00 -0.14 0.61 0.02 0.00 0.00 177.57 178.02 1ogy n GLY 395 N 0.76 -0.87 1.99 2.17 0.00 -0.43 -3.24 105.19 105.58 1ogy n GLY 395 Ca 0.03 0.34 -0.25 0.00 0.00 0.00 0.00 46.02 46.15 1ogy n GLY 395 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ogy n THR 396 N -0.69 2.91 -4.32 2.61 -1.04 0.92 -4.36 114.28 110.31 1ogy n THR 396 Ca 0.03 -3.53 -0.28 0.00 -2.04 0.00 0.00 64.05 58.23 1ogy n THR 396 Cb 0.28 -1.01 -0.10 0.00 -1.82 0.00 0.00 70.33 67.68 1ogy n THR 396 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1ogy s PHE 397 N -3.62 2.54 0.41 -1.42 0.40 -1.24 -2.52 117.98 112.54 1ogy s PHE 397 Ca 0.55 -0.26 0.26 0.00 -0.60 0.00 0.00 56.93 56.88 1ogy s PHE 397 Cb 0.44 -1.28 1.36 0.00 0.51 0.00 0.00 43.02 44.05 1ogy s PHE 397 CO 0.02 0.47 1.62 0.00 0.70 0.00 0.00 175.22 178.03 1ogy h ALA 398 N 3.25 2.52 -0.51 5.36 0.00 -0.75 -0.58 119.26 128.55 1ogy h ALA 398 Ca -0.48 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1ogy h ALA 398 Cb 1.19 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1ogy h ALA 398 CO 0.50 -1.17 0.00 -2.39 0.00 0.00 0.00 179.25 176.19 1ogy n HIS 399 N -4.84 1.14 -4.41 0.00 1.44 -1.26 -2.19 115.22 105.09 1ogy n HIS 399 Ca 0.36 -0.63 -0.21 0.00 -2.01 0.00 0.00 57.72 55.23 1ogy n HIS 399 Cb 1.33 -0.20 -0.10 0.00 0.12 0.00 0.00 29.99 31.14 1ogy n HIS 399 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1ogy s ARG 400 N -1.82 1.50 0.31 -1.40 3.52 -0.23 -2.40 118.95 118.44 1ogy s ARG 400 Ca 0.43 -1.73 0.03 0.00 -0.13 0.00 0.00 55.73 54.33 1ogy s ARG 400 Cb 0.28 -1.18 -0.05 0.00 -1.56 0.00 0.00 34.95 32.43 1ogy s ARG 400 CO 0.20 0.10 0.08 -0.51 -0.81 0.00 0.00 175.30 174.36 1ogy s LEU 401 N -3.41 1.98 0.99 -0.88 1.43 0.29 -4.69 118.68 114.39 1ogy s LEU 401 Ca 0.28 -1.42 -0.14 0.00 -1.03 0.00 0.00 54.13 51.82 1ogy s LEU 401 Cb 0.02 -0.21 0.06 0.00 0.03 0.00 0.00 46.19 46.08 1ogy s LEU 401 CO 0.11 -0.69 0.33 -2.65 0.23 0.00 0.00 176.35 173.68 1ogy n PRO 402 N -0.64 -0.61 -4.14 1.29 -0.02 -1.20 -3.15 135.00 126.53 1ogy n PRO 402 Ca -0.02 -0.14 -0.36 0.00 -2.02 0.00 0.00 63.50 60.96 1ogy n PRO 402 Cb 0.66 -1.83 -0.04 0.00 -0.02 0.00 0.00 33.50 32.27 1ogy n PRO 402 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ogy n ALA 403 N -3.80 -2.25 -0.96 3.55 0.00 -1.09 -1.52 120.51 114.43 1ogy n ALA 403 Ca 0.05 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1ogy n ALA 403 Cb 0.55 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1ogy n ALA 403 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ogy n ASP 404 N -2.64 -4.24 -4.81 0.00 8.00 -1.25 -4.99 116.55 106.62 1ogy n ASP 404 Ca -0.24 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 54.91 1ogy n ASP 404 Cb 0.64 -2.21 -0.06 0.00 -0.02 0.00 0.00 41.12 39.47 1ogy n ASP 404 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1ogy s MET 405 N -1.13 4.28 0.08 -1.24 -1.94 -0.57 -4.94 119.30 113.83 1ogy s MET 405 Ca 0.00 0.98 0.03 0.00 -1.71 0.00 0.00 55.69 54.98 1ogy s MET 405 Cb 0.00 -2.68 -0.04 0.00 2.01 0.00 0.00 34.83 34.12 1ogy s MET 405 CO 0.00 0.26 0.09 0.08 -0.01 0.00 0.00 175.02 175.44 1ogy s VAL 406 N -1.73 4.63 0.19 -6.03 1.01 -1.26 0.10 120.40 117.31 1ogy s VAL 406 Ca 0.50 -0.72 0.20 0.00 0.00 0.00 0.00 61.98 61.95 1ogy s VAL 406 Cb -0.15 -3.23 0.15 0.00 0.00 0.00 0.00 36.38 33.15 1ogy s VAL 406 CO 0.20 0.13 1.77 0.58 0.00 0.00 0.00 175.10 177.77 1ogy h VAL 407 N 2.52 0.84 0.82 2.92 2.07 -1.76 -3.23 116.25 120.43 1ogy h VAL 407 Ca -0.46 -1.40 -0.04 0.00 0.82 0.00 0.00 66.70 65.61 1ogy h VAL 407 Cb 1.16 1.86 0.01 0.00 -1.52 0.00 0.00 31.29 32.80 1ogy h VAL 407 CO 0.67 0.34 -0.39 0.74 0.02 0.00 0.00 177.57 178.94 1ogy h THR 408 N 0.00 0.06 -2.12 2.57 2.02 -1.81 -3.41 112.91 110.22 1ogy h THR 408 Ca -0.00 -0.16 -0.60 0.00 0.77 0.00 0.00 66.41 66.41 1ogy h THR 408 Cb 0.84 0.07 0.03 0.00 -1.74 0.00 0.00 68.15 67.34 1ogy h THR 408 CO 0.04 0.00 1.04 -3.20 0.37 0.00 0.00 175.52 173.78 1ogy n ASN 409 N -5.52 3.43 0.17 4.18 2.85 -1.22 -4.89 115.26 114.27 1ogy n ASN 409 Ca -0.14 0.99 0.02 0.00 -0.11 0.00 0.00 54.58 55.35 1ogy n ASN 409 Cb 0.44 -1.40 0.31 0.00 1.24 0.00 0.00 39.78 40.37 1ogy n ASN 409 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1ogy h PRO 410 N 8.55 0.00 -0.45 1.20 0.11 -1.87 -2.43 132.00 137.11 1ogy h PRO 410 Ca -0.48 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 1ogy h PRO 410 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1ogy h PRO 410 CO 0.93 0.44 -0.11 0.93 -0.21 0.00 0.00 178.00 179.99 1ogy h GLU 411 N 0.00 0.86 0.15 1.05 4.39 -1.95 -1.01 114.58 118.08 1ogy h GLU 411 Ca -0.00 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 59.36 1ogy h GLU 411 Cb 0.84 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1ogy h GLU 411 CO 0.06 0.97 -0.07 0.45 -1.16 0.00 0.00 179.01 179.25 1ogy h HIS 412 N 0.70 -0.18 -0.60 4.33 3.86 -1.83 0.50 115.15 121.92 1ogy h HIS 412 Ca 0.11 -0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.44 1ogy h HIS 412 Cb 0.65 0.06 -0.11 0.00 1.06 0.00 0.00 27.41 29.07 1ogy h HIS 412 CO 0.05 0.12 -0.11 -0.09 0.86 0.00 0.00 177.93 178.75 1ogy h ARG 413 N -0.49 0.02 0.06 2.45 2.43 -1.41 0.15 114.38 117.59 1ogy h ARG 413 Ca -0.02 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1ogy h ARG 413 Cb 0.38 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1ogy h ARG 413 CO 0.03 0.02 -0.03 0.00 -1.51 0.00 0.00 179.97 178.48 1ogy h ALA 414 N 1.59 -0.08 -0.74 2.80 0.00 -0.97 -0.67 119.26 121.19 1ogy h ALA 414 Ca 0.29 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.31 1ogy h ALA 414 Cb 0.46 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.19 1ogy h ALA 414 CO -0.59 -0.54 0.30 1.25 0.00 0.00 0.00 179.25 179.67 1ogy h HIS 415 N -0.09 0.52 -0.43 0.00 -0.00 0.10 0.19 115.15 115.45 1ogy h HIS 415 Ca -0.01 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.36 1ogy h HIS 415 Cb 0.07 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.35 1ogy h HIS 415 CO -0.07 0.09 0.14 0.00 -0.00 0.00 0.00 177.93 178.09 1ogy h ALA 416 N 1.52 0.56 -0.97 5.26 0.00 -0.51 -2.04 119.26 123.08 1ogy h ALA 416 Ca 0.40 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1ogy h ALA 416 Cb 0.58 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1ogy h ALA 416 CO -0.38 0.20 0.63 0.93 0.00 0.00 0.00 179.25 180.62 1ogy h GLU 417 N 0.55 1.30 -0.64 0.00 5.08 0.49 0.79 114.58 122.14 1ogy h GLU 417 Ca 0.14 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1ogy h GLU 417 Cb 0.25 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1ogy h GLU 417 CO -0.01 0.87 0.12 0.93 -1.00 0.00 0.00 179.01 179.92 1ogy h GLU 418 N 1.33 1.05 -0.06 2.33 4.39 -0.29 -0.44 114.58 122.90 1ogy h GLU 418 Ca 0.35 -0.28 -0.25 0.00 0.34 0.00 0.00 59.36 59.53 1ogy h GLU 418 Cb -0.12 -0.13 0.02 0.00 -0.10 0.00 0.00 28.75 28.42 1ogy h GLU 418 CO -0.07 0.97 -0.94 0.82 -1.16 0.00 0.00 179.01 178.62 1ogy h ILE 419 N 0.97 1.29 -0.00 3.13 2.04 -1.04 -3.15 117.51 120.74 1ogy h ILE 419 Ca 0.20 -2.16 0.00 0.00 1.00 0.00 0.00 64.86 63.90 1ogy h ILE 419 Cb 0.42 2.24 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 1ogy h ILE 419 CO 0.01 0.67 0.00 0.79 0.00 0.00 0.00 178.15 179.62 1ogy n TRP 420 N -3.87 0.00 -3.64 1.37 8.01 0.24 -4.90 117.44 114.65 1ogy n TRP 420 Ca -0.09 -0.00 -0.28 0.00 -1.31 0.00 0.00 57.50 55.82 1ogy n TRP 420 Cb 0.83 0.00 0.03 0.00 -2.01 0.00 0.00 31.31 30.16 1ogy n TRP 420 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1ogy n LYS 421 N -0.58 -1.22 -4.47 -0.99 5.02 -0.92 -4.96 118.16 110.03 1ogy n LYS 421 Ca 0.05 0.60 -0.24 0.00 -2.02 0.00 0.00 58.31 56.70 1ogy n LYS 421 Cb 0.02 -3.98 -0.10 0.00 -0.02 0.00 0.00 35.03 30.95 1ogy n LYS 421 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ogy s LEU 422 N -6.01 2.61 0.20 -0.35 1.43 -0.22 -5.05 118.68 111.29 1ogy s LEU 422 Ca 0.36 -1.07 -0.30 0.00 -1.03 0.00 0.00 54.13 52.08 1ogy s LEU 422 Cb -0.13 -1.02 -0.08 0.00 0.03 0.00 0.00 46.19 44.99 1ogy s LEU 422 CO 0.86 -0.05 1.17 -2.16 0.23 0.00 0.00 176.35 176.40 1ogy s PRO 423 N -3.55 4.52 0.41 1.29 0.04 -1.26 -4.73 135.00 131.72 1ogy s PRO 423 Ca 0.30 1.85 -0.23 0.00 0.04 0.00 0.00 61.00 62.95 1ogy s PRO 423 Cb -0.03 -3.24 -0.12 0.00 0.04 0.00 0.00 34.50 31.16 1ogy s PRO 423 CO 0.14 -0.03 0.70 0.00 0.04 0.00 0.00 177.00 177.86 1ogy n ALA 424 N 2.28 -1.03 -1.10 8.56 0.00 -1.26 -1.96 120.51 126.00 1ogy n ALA 424 Ca 0.03 0.20 -0.04 0.00 0.00 0.00 0.00 53.44 53.64 1ogy n ALA 424 Cb 0.45 -1.87 -0.02 0.00 0.00 0.00 0.00 19.45 18.02 1ogy n ALA 424 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ogy n GLY 425 N 1.60 0.51 0.11 0.00 0.00 -1.26 -4.90 105.19 101.25 1ogy n GLY 425 Ca 0.11 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1ogy n GLY 425 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ogy h LEU 426 N 0.00 -0.13 -9.63 0.99 5.85 -1.78 -3.45 115.31 107.16 1ogy h LEU 426 Ca -0.07 -0.43 -0.58 0.00 0.84 0.00 0.00 57.88 57.63 1ogy h LEU 426 Cb 0.69 0.03 0.09 0.00 0.37 0.00 0.00 40.66 41.85 1ogy h LEU 426 CO 0.11 0.49 0.54 0.18 -0.34 0.00 0.00 178.44 179.42 1ogy n LEU 427 N -4.86 3.14 -4.77 2.25 4.32 -1.26 -4.96 117.00 110.86 1ogy n LEU 427 Ca -0.07 1.17 -0.37 0.00 -0.02 0.00 0.00 56.01 56.71 1ogy n LEU 427 Cb 0.27 -1.43 -0.01 0.00 -1.62 0.00 0.00 43.42 40.63 1ogy n LEU 427 CO 0.25 -0.56 0.82 -2.84 -1.22 0.00 0.00 177.39 173.85 1ogy s PRO 428 N -0.94 3.72 -0.02 3.23 0.02 -1.26 -5.00 135.00 134.75 1ogy s PRO 428 Ca 0.64 1.76 0.22 0.00 0.02 0.00 0.00 61.00 63.64 1ogy s PRO 428 Cb -0.63 -2.37 -0.30 0.00 0.02 0.00 0.00 34.50 31.21 1ogy s PRO 428 CO 0.54 -0.58 0.60 -0.40 -0.33 0.00 0.00 177.00 176.83 1ogy n ASP 429 N -0.55 0.26 -4.75 2.53 5.75 -1.26 -4.85 116.55 113.68 1ogy n ASP 429 Ca 0.08 -0.24 -0.40 0.00 -0.01 0.00 0.00 54.79 54.21 1ogy n ASP 429 Cb 0.48 1.73 -0.04 0.00 -1.03 0.00 0.00 41.12 42.25 1ogy n ASP 429 CO 0.00 0.00 0.00 -1.66 -0.11 0.00 0.00 177.20 175.43 1ogy s TRP 430 N -3.39 3.66 0.20 2.11 1.48 -1.26 -4.25 118.94 117.49 1ogy s TRP 430 Ca -0.04 1.71 -0.30 0.00 -1.06 0.00 0.00 56.10 56.41 1ogy s TRP 430 Cb 0.14 -3.23 -0.08 0.00 -1.16 0.00 0.00 33.47 29.15 1ogy s TRP 430 CO 0.90 -0.38 1.17 0.08 -4.06 0.00 0.00 176.95 174.66 1ogy s VAL 431 N -0.87 3.60 1.00 -0.66 1.01 -1.26 -4.63 120.40 118.59 1ogy s VAL 431 Ca 0.45 1.38 -0.17 0.00 0.00 0.00 0.00 61.98 63.65 1ogy s VAL 431 Cb -0.30 -3.88 0.23 0.00 0.00 0.00 0.00 36.38 32.42 1ogy s VAL 431 CO 0.37 0.24 1.33 -0.83 0.00 0.00 0.00 175.10 176.22 1ogy s GLY 432 N -0.05 1.80 -0.26 4.51 0.00 -0.93 -4.96 107.32 107.43 1ogy s GLY 432 Ca 0.51 -1.28 -0.28 0.00 0.00 0.00 0.00 44.72 43.68 1ogy s GLY 432 CO 0.37 -0.45 0.98 0.00 0.00 0.00 0.00 173.10 174.00 1ogy s ALA 433 N -3.88 3.62 0.81 3.20 0.00 -1.26 -4.77 121.76 119.48 1ogy s ALA 433 Ca 0.76 -0.00 -0.11 0.00 0.00 0.00 0.00 51.96 52.60 1ogy s ALA 433 Cb -0.03 -3.50 0.08 0.00 0.00 0.00 0.00 23.12 19.67 1ogy s ALA 433 CO 0.54 -1.14 1.09 -3.38 0.00 0.00 0.00 175.76 172.86 1ogy s HIS 434 N 3.21 2.70 0.06 0.00 -3.43 -1.26 -4.35 115.29 112.21 1ogy s HIS 434 Ca 0.41 1.25 -0.11 0.00 -0.80 0.00 0.00 55.06 55.81 1ogy s HIS 434 Cb -0.14 -3.10 -0.02 0.00 -1.43 0.00 0.00 32.58 27.88 1ogy s HIS 434 CO 0.09 -1.88 0.86 0.00 -2.00 0.00 0.00 174.74 171.81 1ogy n ALA 435 N -3.53 -0.23 0.27 -1.38 0.00 -1.26 0.13 120.51 114.51 1ogy n ALA 435 Ca 0.07 0.30 -0.17 0.00 0.00 0.00 0.00 53.44 53.64 1ogy n ALA 435 Cb 0.55 0.11 -0.09 0.00 0.00 0.00 0.00 19.45 20.02 1ogy n ALA 435 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ogy h VAL 436 N 0.00 0.00 -0.74 0.00 2.07 -1.92 -2.34 116.25 113.32 1ogy h VAL 436 Ca 0.06 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.71 1ogy h VAL 436 Cb 0.14 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.78 1ogy h VAL 436 CO -0.33 0.00 -0.27 -0.08 0.02 0.00 0.00 177.57 176.91 1ogy h GLU 437 N -0.95 -0.06 -1.04 1.57 4.81 -1.43 0.24 114.58 117.73 1ogy h GLU 437 Ca -0.06 0.00 0.31 0.00 -0.13 0.00 0.00 59.36 59.49 1ogy h GLU 437 Cb 0.83 0.01 -0.13 0.00 0.63 0.00 0.00 28.75 30.09 1ogy h GLU 437 CO -0.08 -0.04 0.61 0.37 -0.73 0.00 0.00 179.01 179.15 1ogy h GLN 438 N -0.06 0.36 -0.09 1.92 4.15 0.16 0.67 115.11 122.22 1ogy h GLN 438 Ca 0.32 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.68 1ogy h GLN 438 Cb 0.57 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.18 1ogy h GLN 438 CO -0.79 0.24 -0.11 -0.44 -1.93 0.00 0.00 178.83 175.80 1ogy h ASP 439 N 0.37 0.26 0.53 -0.69 3.32 -0.10 -2.47 116.42 117.64 1ogy h ASP 439 Ca 0.71 -0.50 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 1ogy h ASP 439 Cb 1.64 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 41.12 1ogy h ASP 439 CO -0.52 0.71 -0.26 0.03 -1.72 0.00 0.00 179.24 177.48 1ogy h ARG 440 N -0.19 -0.69 -0.06 3.56 3.08 0.43 -0.44 114.38 120.07 1ogy h ARG 440 Ca 0.01 0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.13 1ogy h ARG 440 Cb 0.64 0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.85 1ogy h ARG 440 CO 0.03 -0.45 0.28 0.87 -1.07 0.00 0.00 179.97 179.63 1ogy h LYS 441 N -0.73 0.00 0.18 0.04 1.57 0.04 0.44 116.57 118.10 1ogy h LYS 441 Ca -0.07 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.44 1ogy h LYS 441 Cb 0.55 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.89 1ogy h LYS 441 CO 0.12 0.00 -1.15 1.25 -0.57 0.00 0.00 179.45 179.10 1ogy h LEU 442 N 0.00 0.71 -0.52 2.94 5.85 -0.83 0.33 115.31 123.79 1ogy h LEU 442 Ca 0.03 -0.91 0.01 0.00 0.84 0.00 0.00 57.88 57.85 1ogy h LEU 442 Cb 0.60 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1ogy h LEU 442 CO -0.00 1.55 0.34 -0.74 -0.34 0.00 0.00 178.44 179.26 1ogy h HIS 443 N -0.03 0.65 -0.00 1.25 2.76 0.14 -3.09 115.15 116.83 1ogy h HIS 443 Ca -0.19 0.02 -0.20 0.00 -2.20 0.00 0.00 60.37 57.79 1ogy h HIS 443 Cb 1.89 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 30.62 1ogy h HIS 443 CO 0.15 0.41 -0.86 -0.44 -1.30 0.00 0.00 177.93 175.89 1ogy h ASP 444 N 0.70 0.29 0.00 3.26 3.32 -1.10 -3.44 116.42 119.45 1ogy h ASP 444 Ca 0.19 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1ogy h ASP 444 Cb -0.08 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.38 1ogy h ASP 444 CO -0.04 1.02 0.00 0.61 -1.72 0.00 0.00 179.24 179.11 1ogy n GLY 445 N 0.84 1.37 0.16 2.75 0.00 -0.64 -5.01 105.19 104.66 1ogy n GLY 445 Ca -0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 1ogy n GLY 445 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ogy h GLU 446 N 1.22 0.53 -5.04 1.61 4.39 -0.66 -3.42 114.58 113.21 1ogy h GLU 446 Ca 0.00 -0.67 -0.65 0.00 0.34 0.00 0.00 59.36 58.38 1ogy h GLU 446 Cb 0.00 0.21 -0.22 0.00 -0.10 0.00 0.00 28.75 28.64 1ogy h GLU 446 CO 0.00 1.28 -0.64 0.42 -1.16 0.00 0.00 179.01 178.91 1ogy s ILE 447 N -3.05 4.16 -0.23 3.13 1.01 -0.97 -4.17 121.20 121.09 1ogy s ILE 447 Ca -0.08 -0.23 0.05 0.00 0.00 0.00 0.00 60.65 60.40 1ogy s ILE 447 Cb 0.07 -2.92 -0.06 0.00 0.01 0.00 0.00 42.46 39.56 1ogy s ILE 447 CO 0.91 0.39 0.22 0.59 0.00 0.00 0.00 174.94 177.04 1ogy n ASN 448 N 4.56 0.69 -4.12 3.58 5.03 0.10 -4.60 115.26 120.50 1ogy n ASN 448 Ca -0.17 -0.55 -0.29 0.00 0.87 0.00 0.00 54.58 54.44 1ogy n ASN 448 Cb 0.52 1.03 -0.17 0.00 -1.02 0.00 0.00 39.78 40.14 1ogy n ASN 448 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1ogy s PHE 449 N -1.63 2.11 -0.04 3.10 5.36 -1.02 -1.11 117.98 124.76 1ogy s PHE 449 Ca 0.02 -0.90 -0.00 0.00 -0.96 0.00 0.00 56.93 55.09 1ogy s PHE 449 Cb 0.04 -1.46 0.03 0.00 -0.34 0.00 0.00 43.02 41.28 1ogy s PHE 449 CO 0.23 -0.41 -0.00 -0.47 -1.46 0.00 0.00 175.22 173.10 1ogy s TYR 450 N 0.63 0.46 -0.26 10.12 5.04 -0.35 -1.15 117.35 131.83 1ogy s TYR 450 Ca -0.14 -0.06 0.02 0.00 -2.44 0.00 0.00 57.07 54.46 1ogy s TYR 450 Cb -0.16 -0.55 0.06 0.00 0.35 0.00 0.00 41.96 41.65 1ogy s TYR 450 CO 0.04 -0.19 -0.09 -0.46 -1.34 0.00 0.00 175.55 173.51 1ogy s TRP 451 N 1.28 3.24 -0.08 4.97 -0.11 -0.14 0.10 118.94 128.21 1ogy s TRP 451 Ca -0.06 -2.19 -0.13 0.00 1.22 0.00 0.00 56.10 54.94 1ogy s TRP 451 Cb -0.13 -1.96 -0.05 0.00 -1.50 0.00 0.00 33.47 29.82 1ogy s TRP 451 CO -0.02 -0.86 0.32 0.08 -4.62 0.00 0.00 176.95 171.85 1ogy s VAL 452 N 1.14 5.22 -0.06 5.86 1.01 0.76 -1.45 120.40 132.89 1ogy s VAL 452 Ca -0.07 0.62 -0.02 0.00 0.00 0.00 0.00 61.98 62.50 1ogy s VAL 452 Cb -0.20 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.60 1ogy s VAL 452 CO -0.05 0.53 0.13 -1.10 0.00 0.00 0.00 175.10 174.61 1ogy s GLN 453 N -0.59 0.07 -1.47 2.72 -0.21 -0.54 -1.67 119.66 117.97 1ogy s GLN 453 Ca 0.20 0.34 -0.09 0.00 0.02 0.00 0.00 55.36 55.83 1ogy s GLN 453 Cb -0.15 -0.19 0.06 0.00 1.00 0.00 0.00 33.01 33.73 1ogy s GLN 453 CO 0.08 -0.17 0.86 0.28 -2.12 0.00 0.00 175.29 174.22 1ogy n VAL 454 N 4.21 -2.71 -3.57 1.09 0.31 -1.24 -3.73 118.33 112.69 1ogy n VAL 454 Ca -0.27 -0.18 -0.11 0.00 -0.01 0.00 0.00 64.34 63.78 1ogy n VAL 454 Cb 0.51 -3.02 -0.03 0.00 -0.91 0.00 0.00 33.84 30.40 1ogy n VAL 454 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1ogy s ASN 455 N -3.67 -0.42 -0.47 4.52 4.22 -1.26 -4.59 114.94 113.27 1ogy s ASN 455 Ca 0.44 -0.22 0.08 0.00 -2.14 0.00 0.00 52.86 51.03 1ogy s ASN 455 Cb -0.22 0.59 0.38 0.00 1.28 0.00 0.00 41.25 43.27 1ogy s ASN 455 CO 0.84 -1.01 0.95 -3.20 -2.04 0.00 0.00 177.10 172.64 1ogy n ASN 456 N -0.35 3.44 0.30 3.54 2.85 -1.26 -4.93 115.26 118.85 1ogy n ASN 456 Ca -0.14 -3.44 0.14 0.00 -0.11 0.00 0.00 54.58 51.03 1ogy n ASN 456 Cb 0.64 -0.54 0.76 0.00 1.24 0.00 0.00 39.78 41.87 1ogy n ASN 456 CO 0.00 0.00 0.00 -1.13 -2.11 0.00 0.00 177.26 174.02 1ogy h ASN 457 N 2.88 0.00 0.64 1.20 -0.00 -1.97 0.47 115.58 118.79 1ogy h ASN 457 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.44 1ogy h ASN 457 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.12 1ogy h ASN 457 CO 0.72 0.00 0.00 0.23 -0.00 0.00 0.00 177.43 178.38 1ogy n MET 458 N -2.74 0.15 -0.04 6.67 2.81 -1.26 -1.08 117.12 121.62 1ogy n MET 458 Ca -0.02 0.40 -0.06 0.00 -1.81 0.00 0.00 57.70 56.21 1ogy n MET 458 Cb 0.35 -1.79 -0.05 0.00 -0.71 0.00 0.00 33.22 31.01 1ogy n MET 458 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1ogy n GLN 459 N -2.08 1.19 -0.01 0.03 7.27 0.11 -4.73 117.38 119.16 1ogy n GLN 459 Ca 0.02 0.03 -0.17 0.00 0.07 0.00 0.00 57.00 56.96 1ogy n GLN 459 Cb 0.21 -1.20 -0.09 0.00 2.41 0.00 0.00 30.24 31.57 1ogy n GLN 459 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ogy h ALA 460 N 0.14 0.16 -2.90 1.69 0.00 -1.32 -3.43 119.26 113.61 1ogy h ALA 460 Ca -0.21 -0.54 -0.53 0.00 0.00 0.00 0.00 54.91 53.62 1ogy h ALA 460 Cb 1.39 0.01 0.11 0.00 0.00 0.00 0.00 17.79 19.30 1ogy h ALA 460 CO -0.02 0.41 0.54 0.00 0.00 0.00 0.00 179.25 180.19 1ogy s ALA 461 N -3.52 2.79 0.42 0.00 0.00 -0.24 -5.01 121.76 116.19 1ogy s ALA 461 Ca -0.13 1.15 -0.23 0.00 0.00 0.00 0.00 51.96 52.76 1ogy s ALA 461 Cb 0.05 -3.49 -0.09 0.00 0.00 0.00 0.00 23.12 19.59 1ogy s ALA 461 CO 0.84 -1.14 1.03 -1.25 0.00 0.00 0.00 175.76 175.24 1ogy s PRO 462 N -2.94 4.10 -1.45 0.00 0.04 -1.26 -4.08 135.00 129.41 1ogy s PRO 462 Ca 0.71 1.43 -0.09 0.00 0.04 0.00 0.00 61.00 63.09 1ogy s PRO 462 Cb -0.35 -2.41 0.05 0.00 0.04 0.00 0.00 34.50 31.83 1ogy s PRO 462 CO 0.41 -0.18 0.72 -1.71 0.04 0.00 0.00 177.00 176.28 1ogy n ASN 463 N -0.31 -5.03 -0.33 6.66 2.85 -0.23 -4.75 115.26 114.12 1ogy n ASN 463 Ca 0.06 -0.47 0.25 0.00 -0.11 0.00 0.00 54.58 54.31 1ogy n ASN 463 Cb 0.51 -4.06 0.48 0.00 1.24 0.00 0.00 39.78 37.94 1ogy n ASN 463 CO 0.00 0.00 0.00 0.16 -2.11 0.00 0.00 177.26 175.31 1ogy h ILE 464 N -1.55 0.04 -0.50 -1.44 3.07 -1.62 0.12 117.51 115.63 1ogy h ILE 464 Ca -0.51 -0.01 -0.09 0.00 1.55 0.00 0.00 64.86 65.79 1ogy h ILE 464 Cb 1.34 0.00 -0.02 0.00 -0.27 0.00 0.00 36.82 37.88 1ogy h ILE 464 CO 0.58 0.01 -0.05 -0.78 -1.05 0.00 0.00 178.15 176.86 1ogy h ASP 465 N 0.04 0.85 0.27 2.16 3.58 -1.84 0.42 116.42 121.90 1ogy h ASP 465 Ca 0.75 -0.24 -0.01 0.00 0.42 0.00 0.00 57.03 57.95 1ogy h ASP 465 Cb 1.84 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 42.67 1ogy h ASP 465 CO -0.80 0.94 -0.13 -0.61 -2.88 0.00 0.00 179.24 175.76 1ogy h GLN 466 N 0.79 -0.35 0.00 0.28 4.15 -1.11 -3.42 115.11 115.45 1ogy h GLN 466 Ca 0.14 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.59 1ogy h GLN 466 Cb 0.54 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.31 1ogy h GLN 466 CO 0.03 -0.01 -0.07 0.39 -1.93 0.00 0.00 178.83 177.25 1ogy n GLU 467 N -5.04 3.85 -0.07 1.69 1.02 -1.02 -4.76 120.64 116.31 1ogy n GLU 467 Ca -0.08 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.84 1ogy n GLU 467 Cb 0.26 -0.34 -0.12 0.00 -0.02 0.00 0.00 31.44 31.21 1ogy n GLU 467 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1ogy n THR 468 N -0.61 1.63 0.09 2.62 -1.04 -0.71 -3.52 114.28 112.74 1ogy n THR 468 Ca 0.00 -0.37 -0.13 0.00 -2.04 0.00 0.00 64.05 61.51 1ogy n THR 468 Cb 0.00 -1.85 -0.08 0.00 -1.82 0.00 0.00 70.33 66.58 1ogy n THR 468 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 1ogy h TYR 469 N -0.48 -0.18 -0.61 -1.42 3.20 -0.47 -2.09 116.97 114.93 1ogy h TYR 469 Ca -0.44 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.44 1ogy h TYR 469 Cb 1.69 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 39.98 1ogy h TYR 469 CO 0.06 0.06 0.40 -1.00 -1.64 0.00 0.00 178.16 176.04 1ogy h PRO 470 N -0.40 0.75 -0.19 1.82 0.13 -1.78 -0.97 132.00 131.37 1ogy h PRO 470 Ca -0.02 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 65.02 1ogy h PRO 470 Cb 0.32 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.26 1ogy h PRO 470 CO 0.03 0.50 -0.08 0.78 -0.23 0.00 0.00 178.00 179.00 1ogy h GLY 471 N 0.78 0.32 1.70 1.56 0.00 -1.56 0.27 103.07 106.13 1ogy h GLY 471 Ca 0.23 -0.18 -0.17 0.00 0.00 0.00 0.00 47.33 47.21 1ogy h GLY 471 CO -0.06 0.17 -0.94 -0.97 0.00 0.00 0.00 176.54 174.75 1ogy h TYR 472 N 0.28 0.00 -0.08 5.60 -1.99 -0.59 -3.31 116.97 116.89 1ogy h TYR 472 Ca 0.06 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.79 1ogy h TYR 472 Cb 0.33 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.06 1ogy h TYR 472 CO 0.01 0.71 0.00 0.54 -0.00 0.00 0.00 178.16 179.41 1ogy n ARG 473 N -3.18 2.17 -1.71 4.88 5.12 -0.46 -4.81 116.66 118.67 1ogy n ARG 473 Ca -0.03 -1.71 -0.43 0.00 -1.93 0.00 0.00 57.85 53.76 1ogy n ARG 473 Cb 0.84 -1.47 -0.03 0.00 -1.16 0.00 0.00 32.46 30.65 1ogy n ARG 473 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1ogy s ASN 474 N -1.92 5.94 0.20 0.55 3.04 0.89 -4.86 114.94 118.80 1ogy s ASN 474 Ca 0.32 2.12 0.10 0.00 0.04 0.00 0.00 52.86 55.45 1ogy s ASN 474 Cb 0.20 -2.52 0.56 0.00 -1.54 0.00 0.00 41.25 37.95 1ogy s ASN 474 CO 0.31 -1.54 1.23 -2.65 -3.04 0.00 0.00 177.10 171.41 1ogy n PRO 475 N 8.17 0.07 -0.04 0.43 -0.02 -1.26 -0.02 135.00 142.32 1ogy n PRO 475 Ca 0.25 0.51 0.12 0.00 -2.02 0.00 0.00 63.50 62.36 1ogy n PRO 475 Cb 0.44 -1.89 0.45 0.00 -0.02 0.00 0.00 33.50 32.48 1ogy n PRO 475 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ogy n GLU 476 N -1.85 1.67 -4.50 -0.52 -0.58 -1.26 -4.87 120.64 108.73 1ogy n GLU 476 Ca -0.01 -1.00 -0.31 0.00 -0.42 0.00 0.00 57.16 55.43 1ogy n GLU 476 Cb 0.18 -1.43 -0.11 0.00 -0.57 0.00 0.00 31.44 29.51 1ogy n GLU 476 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1ogy s ASN 477 N -1.76 4.12 -0.11 1.62 0.02 0.97 -4.75 114.94 115.04 1ogy s ASN 477 Ca 0.35 -0.36 0.03 0.00 -1.02 0.00 0.00 52.86 51.86 1ogy s ASN 477 Cb 0.19 -0.76 0.00 0.00 0.02 0.00 0.00 41.25 40.70 1ogy s ASN 477 CO 0.29 0.24 -0.23 0.12 0.02 0.00 0.00 177.10 177.55 1ogy s PHE 478 N -1.01 2.56 -0.12 2.20 5.36 -0.27 -4.85 117.98 121.85 1ogy s PHE 478 Ca 0.17 -1.13 0.01 0.00 -0.96 0.00 0.00 56.93 55.02 1ogy s PHE 478 Cb -0.11 -1.73 0.02 0.00 -0.34 0.00 0.00 43.02 40.86 1ogy s PHE 478 CO 0.08 -0.48 -0.15 0.42 -1.46 0.00 0.00 175.22 173.63 1ogy s ILE 479 N 0.51 1.55 -0.05 3.12 1.01 -1.26 -1.21 121.20 124.86 1ogy s ILE 479 Ca -0.15 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 59.85 1ogy s ILE 479 Cb -0.17 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.84 1ogy s ILE 479 CO 0.05 0.45 -0.02 -0.69 0.00 0.00 0.00 174.94 174.73 1ogy s VAL 480 N 1.13 4.04 -0.14 2.92 1.01 0.12 -0.77 120.40 128.71 1ogy s VAL 480 Ca -0.03 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 1ogy s VAL 480 Cb -0.14 -2.73 0.05 0.00 0.00 0.00 0.00 36.38 33.56 1ogy s VAL 480 CO -0.04 0.51 0.03 -0.69 0.00 0.00 0.00 175.10 174.91 1ogy s VAL 481 N -0.94 0.39 -0.06 2.92 1.01 0.31 -0.17 120.40 123.86 1ogy s VAL 481 Ca 0.15 -0.25 -0.18 0.00 0.00 0.00 0.00 61.98 61.71 1ogy s VAL 481 Cb -0.11 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 1ogy s VAL 481 CO 0.05 -0.04 0.49 -0.44 0.00 0.00 0.00 175.10 175.16 1ogy s SER 482 N 1.94 6.78 0.31 3.32 0.01 -0.67 -0.87 113.70 124.52 1ogy s SER 482 Ca 0.02 0.93 -0.15 0.00 1.31 0.00 0.00 55.95 58.06 1ogy s SER 482 Cb -0.15 -2.30 0.06 0.00 0.21 0.00 0.00 66.02 63.84 1ogy s SER 482 CO -0.07 0.10 0.77 -0.67 0.41 0.00 0.00 173.24 173.78 1ogy n ASP 483 N 3.00 -1.94 -0.02 2.44 -0.08 -0.42 -3.64 116.55 115.89 1ogy n ASP 483 Ca -0.09 -2.27 0.01 0.00 -1.51 0.00 0.00 54.79 50.93 1ogy n ASP 483 Cb 0.52 3.22 -0.01 0.00 2.34 0.00 0.00 41.12 47.19 1ogy n ASP 483 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ogy n ALA 484 N -0.85 2.38 -2.73 -1.67 0.00 -1.26 0.30 120.51 116.68 1ogy n ALA 484 Ca -0.14 -0.15 -0.10 0.00 0.00 0.00 0.00 53.44 53.05 1ogy n ALA 484 Cb 0.53 -0.10 -0.08 0.00 0.00 0.00 0.00 19.45 19.80 1ogy n ALA 484 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1ogy s TYR 485 N -1.08 0.10 0.00 0.00 4.12 -1.26 -2.60 117.35 116.63 1ogy s TYR 485 Ca 0.01 -0.41 0.00 0.00 0.02 0.00 0.00 57.07 56.69 1ogy s TYR 485 Cb 0.02 -0.05 0.00 0.00 -1.52 0.00 0.00 41.96 40.41 1ogy s TYR 485 CO 0.10 -0.47 0.05 -2.30 0.02 0.00 0.00 175.55 172.95 1ogy n PRO 486 N 0.39 0.00 -0.20 -1.71 -0.02 -1.26 -4.93 135.00 127.27 1ogy n PRO 486 Ca -0.17 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 1ogy n PRO 486 Cb 0.60 -0.24 0.00 0.00 -0.02 0.00 0.00 33.50 33.85 1ogy n PRO 486 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1ogy n THR 487 N -0.18 -1.55 -0.20 3.45 -1.04 -1.26 -4.12 114.28 109.38 1ogy n THR 487 Ca 0.00 0.31 -0.09 0.00 -2.04 0.00 0.00 64.05 62.22 1ogy n THR 487 Cb 0.00 -0.49 0.02 0.00 -1.82 0.00 0.00 70.33 68.04 1ogy n THR 487 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 1ogy h VAL 488 N 0.22 1.26 -0.81 12.58 3.04 -1.95 -1.80 116.25 128.79 1ogy h VAL 488 Ca 0.00 -1.06 0.15 0.00 -1.01 0.00 0.00 66.70 64.77 1ogy h VAL 488 Cb 0.00 0.83 -0.09 0.00 -2.01 0.00 0.00 31.29 30.02 1ogy h VAL 488 CO 0.00 0.38 0.38 0.74 -1.01 0.00 0.00 177.57 178.07 1ogy h THR 489 N 0.86 0.70 -0.48 3.17 2.02 -1.87 0.32 112.91 117.63 1ogy h THR 489 Ca 0.17 -0.19 -0.13 0.00 0.77 0.00 0.00 66.41 67.02 1ogy h THR 489 Cb 0.49 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1ogy h THR 489 CO 0.02 0.10 -0.22 1.23 0.37 0.00 0.00 175.52 177.02 1ogy h GLY 490 N 0.55 1.08 1.21 2.16 0.00 -1.63 -1.98 103.07 104.45 1ogy h GLY 490 Ca 0.45 -0.96 0.04 0.00 0.00 0.00 0.00 47.33 46.86 1ogy h GLY 490 CO -0.38 0.87 0.44 -0.09 0.00 0.00 0.00 176.54 177.38 1ogy h ARG 491 N 0.84 0.73 -0.64 4.80 2.43 -0.09 -0.33 114.38 122.13 1ogy h ARG 491 Ca 0.11 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1ogy h ARG 491 Cb 0.80 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1ogy h ARG 491 CO 0.07 0.49 0.00 0.00 -1.51 0.00 0.00 179.97 179.01 1ogy n ALA 492 N -2.45 2.90 -3.53 2.80 0.00 0.90 -4.92 120.51 116.21 1ogy n ALA 492 Ca 0.08 -0.81 -0.00 0.00 0.00 0.00 0.00 53.44 52.71 1ogy n ALA 492 Cb 0.16 -1.03 -0.00 0.00 0.00 0.00 0.00 19.45 18.58 1ogy n ALA 492 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ogy n ALA 493 N 0.39 0.00 -0.01 0.00 0.00 -0.14 -4.67 120.51 116.08 1ogy n ALA 493 Ca 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 53.44 53.54 1ogy n ALA 493 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.99 1ogy n ALA 493 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ogy n ASP 494 N -1.93 4.30 -3.81 0.00 8.00 0.05 -4.98 116.55 118.19 1ogy n ASP 494 Ca -0.00 -0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.29 1ogy n ASP 494 Cb 0.00 0.56 -0.17 0.00 -0.02 0.00 0.00 41.12 41.49 1ogy n ASP 494 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1ogy s LEU 495 N -4.22 0.86 -0.22 0.64 2.96 -0.61 -2.40 118.68 115.68 1ogy s LEU 495 Ca -0.01 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.82 1ogy s LEU 495 Cb 0.01 -0.39 0.03 0.00 0.50 0.00 0.00 46.19 46.34 1ogy s LEU 495 CO 0.11 -0.14 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.18 1ogy s VAL 496 N 1.55 2.35 -0.20 1.68 1.01 -0.82 -0.53 120.40 125.44 1ogy s VAL 496 Ca -0.02 -1.15 -0.10 0.00 0.00 0.00 0.00 61.98 60.71 1ogy s VAL 496 Cb -0.13 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 1ogy s VAL 496 CO -0.03 0.28 0.13 -0.76 0.00 0.00 0.00 175.10 174.72 1ogy s LEU 497 N 1.25 4.21 0.12 3.92 1.43 -0.05 -1.50 118.68 128.05 1ogy s LEU 497 Ca -0.00 0.23 -0.31 0.00 -1.03 0.00 0.00 54.13 53.02 1ogy s LEU 497 Cb -0.16 -2.09 -0.07 0.00 0.03 0.00 0.00 46.19 43.90 1ogy s LEU 497 CO -0.08 0.18 1.29 -2.16 0.23 0.00 0.00 176.35 175.81 1ogy s PRO 498 N 0.35 4.39 0.01 1.29 0.04 -1.26 -1.30 135.00 138.53 1ogy s PRO 498 Ca 0.08 1.94 0.05 0.00 0.04 0.00 0.00 61.00 63.11 1ogy s PRO 498 Cb -0.11 -3.27 -0.03 0.00 0.04 0.00 0.00 34.50 31.12 1ogy s PRO 498 CO -0.02 -0.30 -0.13 0.00 0.04 0.00 0.00 177.00 176.59 1ogy s ALA 499 N 0.79 2.78 0.12 8.56 0.00 0.15 -2.83 121.76 131.32 1ogy s ALA 499 Ca 0.60 -1.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.16 1ogy s ALA 499 Cb -0.34 -0.93 -0.06 0.00 0.00 0.00 0.00 23.12 21.79 1ogy s ALA 499 CO 0.32 0.59 1.02 0.00 0.00 0.00 0.00 175.76 177.69 1ogy s ALA 500 N -0.93 3.29 0.35 0.00 0.00 -0.54 -4.61 121.76 119.32 1ogy s ALA 500 Ca 0.15 0.67 0.07 0.00 0.00 0.00 0.00 51.96 52.86 1ogy s ALA 500 Cb -0.11 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 1ogy s ALA 500 CO 0.06 -0.12 0.31 1.41 0.00 0.00 0.00 175.76 177.42 1ogy s MET 501 N -0.00 2.71 0.00 0.00 1.75 -1.26 -4.50 119.30 118.00 1ogy s MET 501 Ca 0.49 -1.31 0.00 0.00 -1.25 0.00 0.00 55.69 53.61 1ogy s MET 501 Cb -0.26 -2.48 0.00 0.00 2.84 0.00 0.00 34.83 34.93 1ogy s MET 501 CO 0.31 0.05 0.00 1.87 -0.65 0.00 0.00 175.02 176.60 1ogy n TRP 502 N -1.41 0.00 1.52 4.11 -0.00 -1.26 0.44 117.44 120.84 1ogy n TRP 502 Ca -0.01 0.00 0.03 0.00 -0.00 0.00 0.00 57.50 57.52 1ogy n TRP 502 Cb 0.60 0.00 0.11 0.00 -0.00 0.00 0.00 31.31 32.02 1ogy n TRP 502 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1ogy n VAL 503 N 0.00 0.20 1.35 5.87 0.31 -1.26 -3.17 118.33 121.63 1ogy n VAL 503 Ca 0.00 -0.20 0.13 0.00 -0.01 0.00 0.00 64.34 64.26 1ogy n VAL 503 Cb 0.00 0.09 0.43 0.00 -0.91 0.00 0.00 33.84 33.45 1ogy n VAL 503 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1ogy n GLU 504 N -0.07 1.26 -3.83 5.55 1.02 0.17 -1.12 120.64 123.62 1ogy n GLU 504 Ca 0.06 -0.75 -0.12 0.00 -0.02 0.00 0.00 57.16 56.33 1ogy n GLU 504 Cb 0.14 -1.48 -0.13 0.00 -0.02 0.00 0.00 31.44 29.95 1ogy n GLU 504 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1ogy s LYS 505 N -2.26 0.17 0.21 3.49 -2.85 -1.19 -4.45 119.74 112.86 1ogy s LYS 505 Ca 0.30 0.16 -0.30 0.00 -1.00 0.00 0.00 55.97 55.13 1ogy s LYS 505 Cb 0.20 0.08 -0.09 0.00 -2.06 0.00 0.00 37.83 35.97 1ogy s LYS 505 CO 0.43 -0.02 1.23 -2.00 0.10 0.00 0.00 175.35 175.09 1ogy s GLU 506 N -0.00 4.46 0.31 1.78 2.12 -1.26 -4.50 118.70 121.61 1ogy s GLU 506 Ca -0.01 1.95 -0.06 0.00 0.36 0.00 0.00 54.97 57.21 1ogy s GLU 506 Cb -0.01 -3.21 0.02 0.00 0.26 0.00 0.00 34.13 31.19 1ogy s GLU 506 CO 0.00 -0.12 0.51 0.41 -0.54 0.00 0.00 175.26 175.52 1ogy n GLY 507 N 2.08 1.82 3.25 -1.50 0.00 -0.38 -4.95 105.19 105.50 1ogy n GLY 507 Ca 0.04 -1.43 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 1ogy n GLY 507 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ogy s ALA 508 N -2.31 -0.83 0.18 4.61 0.00 -1.26 -1.07 121.76 121.07 1ogy s ALA 508 Ca 0.20 0.56 0.01 0.00 0.00 0.00 0.00 51.96 52.73 1ogy s ALA 508 Cb -0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1ogy s ALA 508 CO 0.15 -0.23 0.04 0.71 0.00 0.00 0.00 175.76 176.43 1ogy s TYR 509 N -0.83 1.15 -0.17 0.00 2.02 0.53 -1.42 117.35 118.63 1ogy s TYR 509 Ca -0.09 -1.14 -0.02 0.00 -0.37 0.00 0.00 57.07 55.44 1ogy s TYR 509 Cb -0.04 -0.65 0.05 0.00 -0.40 0.00 0.00 41.96 40.92 1ogy s TYR 509 CO 0.03 -0.36 0.02 0.20 -1.57 0.00 0.00 175.55 173.87 1ogy s GLY 510 N -3.16 0.68 0.84 0.71 0.00 -1.23 -0.36 107.32 104.80 1ogy s GLY 510 Ca 0.27 -0.60 -0.12 0.00 0.00 0.00 0.00 44.72 44.27 1ogy s GLY 510 CO 0.05 1.33 1.20 0.54 0.00 0.00 0.00 173.10 176.22 1ogy s ASN 511 N 1.86 4.18 0.55 1.64 4.22 0.39 -2.31 114.94 125.46 1ogy s ASN 511 Ca 0.00 0.60 0.25 0.00 -2.14 0.00 0.00 52.86 51.57 1ogy s ASN 511 Cb -0.16 -0.99 1.38 0.00 1.28 0.00 0.00 41.25 42.76 1ogy s ASN 511 CO -0.07 -2.09 1.75 0.00 -2.04 0.00 0.00 177.10 174.65 1ogy h ALA 512 N -1.15 1.26 -0.67 3.54 0.00 -1.48 -1.76 119.26 119.01 1ogy h ALA 512 Ca -0.45 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.08 1ogy h ALA 512 Cb 1.30 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.87 1ogy h ALA 512 CO 0.58 -0.26 0.21 -0.85 0.00 0.00 0.00 179.25 178.93 1ogy n GLU 513 N -2.63 2.19 -2.47 0.00 0.28 -1.26 -4.72 120.64 112.03 1ogy n GLU 513 Ca -0.02 -3.22 -0.17 0.00 -0.16 0.00 0.00 57.16 53.59 1ogy n GLU 513 Cb 0.33 -2.02 0.00 0.00 1.43 0.00 0.00 31.44 31.18 1ogy n GLU 513 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1ogy n ARG 514 N -1.08 -2.08 -3.53 3.44 1.74 -0.66 -4.70 116.66 109.78 1ogy n ARG 514 Ca 0.46 0.80 -0.38 0.00 -0.77 0.00 0.00 57.85 57.96 1ogy n ARG 514 Cb 1.20 -5.26 -0.10 0.00 -1.02 0.00 0.00 32.46 27.28 1ogy n ARG 514 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1ogy s ARG 515 N -5.02 3.97 -0.37 5.56 3.52 -1.23 -0.04 118.95 125.35 1ogy s ARG 515 Ca 0.07 -0.21 -0.10 0.00 -0.13 0.00 0.00 55.73 55.35 1ogy s ARG 515 Cb -0.03 -3.65 0.03 0.00 -1.56 0.00 0.00 34.95 29.73 1ogy s ARG 515 CO 0.08 -0.20 0.19 0.99 -0.81 0.00 0.00 175.30 175.56 1ogy s THR 516 N 1.83 4.48 0.09 4.11 2.01 -1.10 -0.47 115.64 126.60 1ogy s THR 516 Ca 0.09 -0.88 0.08 0.00 0.31 0.00 0.00 61.69 61.30 1ogy s THR 516 Cb -0.16 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 1ogy s THR 516 CO 0.11 -0.22 -0.21 -1.38 -0.69 0.00 0.00 174.62 172.22 1ogy s HIS 517 N 1.54 1.83 0.59 4.92 -3.43 0.51 -3.61 115.29 117.63 1ogy s HIS 517 Ca 0.02 -0.41 0.09 0.00 -0.80 0.00 0.00 55.06 53.96 1ogy s HIS 517 Cb -0.19 -1.02 0.09 0.00 -1.43 0.00 0.00 32.58 30.02 1ogy s HIS 517 CO 0.06 0.19 0.75 -0.06 -2.00 0.00 0.00 174.74 173.68 1ogy s PHE 518 N -1.07 1.30 -0.28 0.38 0.40 -1.26 -0.35 117.98 117.09 1ogy s PHE 518 Ca 0.07 -0.78 -0.25 0.00 -0.60 0.00 0.00 56.93 55.37 1ogy s PHE 518 Cb -0.10 -2.14 0.13 0.00 0.51 0.00 0.00 43.02 41.42 1ogy s PHE 518 CO 0.04 -1.11 1.06 1.67 0.70 0.00 0.00 175.22 177.58 1ogy s TRP 519 N -2.72 -0.44 0.78 0.36 -2.14 -0.23 -4.44 118.94 110.11 1ogy s TRP 519 Ca 0.57 1.08 -0.09 0.00 2.66 0.00 0.00 56.10 60.32 1ogy s TRP 519 Cb -0.05 0.37 0.10 0.00 -3.10 0.00 0.00 33.47 30.79 1ogy s TRP 519 CO 0.36 -0.21 1.11 -1.01 -2.66 0.00 0.00 176.95 174.54 1ogy s HIS 520 N 0.24 2.54 -0.18 1.66 3.76 -1.26 -1.25 115.29 120.79 1ogy s HIS 520 Ca 0.03 0.41 -0.24 0.00 -0.15 0.00 0.00 55.06 55.11 1ogy s HIS 520 Cb -0.05 -3.42 -0.02 0.00 1.11 0.00 0.00 32.58 30.20 1ogy s HIS 520 CO -0.07 -1.76 0.78 -1.14 -0.85 0.00 0.00 174.74 171.69 1ogy s GLN 521 N -5.43 4.27 -0.03 1.40 0.74 -1.26 -4.54 119.66 114.81 1ogy s GLN 521 Ca 0.64 0.90 0.21 0.00 0.05 0.00 0.00 55.36 57.16 1ogy s GLN 521 Cb -0.09 -3.58 -0.32 0.00 1.10 0.00 0.00 33.01 30.12 1ogy s GLN 521 CO 0.47 -0.32 0.48 1.28 -0.55 0.00 0.00 175.29 176.65 1ogy n LEU 522 N 5.24 0.05 -3.97 3.68 4.32 -0.28 -3.96 117.00 122.09 1ogy n LEU 522 Ca 0.03 -0.03 -0.09 0.00 -0.02 0.00 0.00 56.01 55.90 1ogy n LEU 522 Cb 0.49 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.23 1ogy n LEU 522 CO 0.47 0.01 0.11 0.68 -1.22 0.00 0.00 177.39 177.45 1ogy s VAL 523 N -3.42 0.02 0.02 4.08 -7.23 -1.09 -4.86 120.40 107.93 1ogy s VAL 523 Ca -0.07 -1.35 -0.10 0.00 -1.81 0.00 0.00 61.98 58.65 1ogy s VAL 523 Cb 0.13 -2.04 -0.05 0.00 0.56 0.00 0.00 36.38 34.98 1ogy s VAL 523 CO 0.86 -0.09 0.35 -1.61 -0.31 0.00 0.00 175.10 174.30 1ogy s GLU 524 N -3.99 3.73 0.65 4.82 2.02 -1.26 -4.21 118.70 120.45 1ogy s GLU 524 Ca 0.20 0.16 -0.15 0.00 0.02 0.00 0.00 54.97 55.20 1ogy s GLU 524 Cb 0.01 -3.09 -0.01 0.00 0.10 0.00 0.00 34.13 31.14 1ogy s GLU 524 CO 0.05 0.64 1.10 0.00 0.02 0.00 0.00 175.26 177.06 1ogy s ALA 525 N -1.26 2.54 0.38 5.21 0.00 -1.26 -4.96 121.76 122.40 1ogy s ALA 525 Ca 0.28 0.49 -0.26 0.00 0.00 0.00 0.00 51.96 52.47 1ogy s ALA 525 Cb -0.14 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 1ogy s ALA 525 CO 0.15 -1.17 1.12 -1.25 0.00 0.00 0.00 175.76 174.61 1ogy s PRO 526 N -4.13 4.19 5.60 0.00 0.04 -1.26 -4.80 135.00 134.63 1ogy s PRO 526 Ca 0.66 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.44 1ogy s PRO 526 Cb -0.19 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.62 1ogy s PRO 526 CO 0.41 -0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.68 1ogy n GLY 527 N 0.65 3.52 1.49 0.56 0.00 -1.26 -2.64 105.19 107.50 1ogy n GLY 527 Ca 0.04 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.22 1ogy n GLY 527 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ogy n GLU 528 N 14.00 3.94 -2.39 1.61 -0.58 -0.43 -5.00 120.64 131.79 1ogy n GLU 528 Ca 0.00 -2.93 -0.38 0.00 -0.42 0.00 0.00 57.16 53.43 1ogy n GLU 528 Cb 0.00 -1.98 -0.03 0.00 -0.57 0.00 0.00 31.44 28.86 1ogy n GLU 528 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ogy s ALA 529 N -2.34 3.20 0.05 0.62 0.00 -1.08 -4.89 121.76 117.33 1ogy s ALA 529 Ca 0.49 0.89 0.02 0.00 0.00 0.00 0.00 51.96 53.36 1ogy s ALA 529 Cb 0.35 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 20.10 1ogy s ALA 529 CO 0.18 -0.37 -0.07 1.03 0.00 0.00 0.00 175.76 176.53 1ogy s ARG 530 N -2.14 0.57 0.76 0.00 1.81 -1.13 -4.50 118.95 114.31 1ogy s ARG 530 Ca 0.54 -0.89 -0.15 0.00 -1.72 0.00 0.00 55.73 53.51 1ogy s ARG 530 Cb -0.29 -0.18 -0.01 0.00 -0.45 0.00 0.00 34.95 34.02 1ogy s ARG 530 CO 0.37 0.01 0.65 -1.13 -0.68 0.00 0.00 175.30 174.52 1ogy n SER 531 N 1.07 -0.83 0.22 0.23 3.41 -1.26 -1.46 113.62 115.00 1ogy n SER 531 Ca -0.20 0.57 0.05 0.00 -0.26 0.00 0.00 58.87 59.03 1ogy n SER 531 Cb 0.56 -1.27 0.48 0.00 -0.26 0.00 0.00 64.21 63.72 1ogy n SER 531 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ogy h ASP 532 N -0.56 0.00 0.26 4.04 3.32 -1.94 -0.52 116.42 121.02 1ogy h ASP 532 Ca -0.46 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 1ogy h ASP 532 Cb 1.33 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.88 1ogy h ASP 532 CO 0.42 0.22 -0.16 0.25 -1.72 0.00 0.00 179.24 178.25 1ogy h LEU 533 N 0.00 -0.40 -0.10 1.55 5.85 -1.92 0.30 115.31 120.58 1ogy h LEU 533 Ca -0.00 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1ogy h LEU 533 Cb 0.40 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 1ogy h LEU 533 CO 0.03 -0.26 -0.11 -0.25 -0.34 0.00 0.00 178.44 177.51 1ogy h TRP 534 N -0.41 -0.26 -0.48 1.25 7.01 -1.74 0.98 115.95 122.30 1ogy h TRP 534 Ca -0.02 0.02 0.10 0.00 2.11 0.00 0.00 58.89 61.09 1ogy h TRP 534 Cb 0.34 0.13 -0.10 0.00 -2.10 0.00 0.00 29.16 27.43 1ogy h TRP 534 CO -0.09 -0.16 -0.21 1.96 -2.79 0.00 0.00 178.44 177.15 1ogy h GLN 535 N -0.13 -0.10 0.47 2.65 4.20 -0.72 0.18 115.11 121.66 1ogy h GLN 535 Ca 0.08 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 1ogy h GLN 535 Cb 0.24 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1ogy h GLN 535 CO -0.18 -0.07 -0.25 -0.07 -0.67 0.00 0.00 178.83 177.59 1ogy h LEU 536 N -0.10 -0.60 -0.73 1.46 4.07 -0.40 -1.40 115.31 117.61 1ogy h LEU 536 Ca 0.23 0.03 0.16 0.00 0.08 0.00 0.00 57.88 58.37 1ogy h LEU 536 Cb 0.46 0.16 -0.13 0.00 1.08 0.00 0.00 40.66 42.23 1ogy h LEU 536 CO -0.55 -0.40 -0.07 0.24 -1.08 0.00 0.00 178.44 176.58 1ogy h MET 537 N -0.65 0.06 -0.57 1.13 2.86 -0.53 -1.34 114.93 115.88 1ogy h MET 537 Ca -0.06 -0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.50 1ogy h MET 537 Cb 0.51 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 1ogy h MET 537 CO 0.09 0.04 0.06 1.49 1.06 0.00 0.00 176.91 179.65 1ogy h GLU 538 N 0.06 0.98 0.00 1.72 4.57 -0.65 -1.81 114.58 119.44 1ogy h GLU 538 Ca 0.38 -0.28 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1ogy h GLU 538 Cb 0.64 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1ogy h GLU 538 CO -0.69 0.95 0.00 0.35 -1.18 0.00 0.00 179.01 178.44 1ogy h PHE 539 N 0.87 0.00 0.17 0.92 3.57 -0.14 -1.87 116.94 120.47 1ogy h PHE 539 Ca 0.17 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 1ogy h PHE 539 Cb 0.47 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1ogy h PHE 539 CO 0.03 0.00 -0.08 0.77 -2.23 0.00 0.00 178.31 176.80 1ogy h SER 540 N 0.00 -0.20 0.00 0.41 0.02 -0.70 -3.26 113.55 109.83 1ogy h SER 540 Ca 0.00 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1ogy h SER 540 Cb 0.11 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1ogy h SER 540 CO 0.00 0.18 0.00 0.29 -1.14 0.00 0.00 176.83 176.16 1ogy n LYS 541 N -5.03 0.00 -0.03 3.45 5.02 -0.70 -1.62 118.16 119.26 1ogy n LYS 541 Ca -0.09 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.20 1ogy n LYS 541 Cb 0.24 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.61 1ogy n LYS 541 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ogy n ARG 542 N -0.62 0.66 -4.00 1.97 3.00 -1.23 -4.94 116.66 111.49 1ogy n ARG 542 Ca 0.00 0.01 -0.25 0.00 -0.01 0.00 0.00 57.85 57.60 1ogy n ARG 542 Cb 0.00 -1.62 -0.04 0.00 0.00 0.00 0.00 32.46 30.81 1ogy n ARG 542 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1ogy s PHE 543 N -2.93 3.35 0.14 -1.55 0.40 -0.64 -5.00 117.98 111.75 1ogy s PHE 543 Ca -0.07 0.04 0.11 0.00 -0.60 0.00 0.00 56.93 56.40 1ogy s PHE 543 Cb 0.09 -1.58 -0.04 0.00 0.51 0.00 0.00 43.02 42.00 1ogy s PHE 543 CO 0.85 0.51 -0.25 -0.08 0.70 0.00 0.00 175.22 176.94 1ogy s THR 544 N -1.81 2.17 0.61 0.64 -1.32 -1.26 -0.38 115.64 114.28 1ogy s THR 544 Ca 0.33 -1.80 0.30 0.00 -1.21 0.00 0.00 61.69 59.31 1ogy s THR 544 Cb -0.10 -1.95 0.36 0.00 -1.51 0.00 0.00 72.50 69.30 1ogy s THR 544 CO 0.27 -0.00 2.05 0.71 -2.21 0.00 0.00 174.62 175.44 1ogy h THR 545 N 3.72 0.35 0.00 5.08 1.35 -1.48 -2.94 112.91 118.99 1ogy h THR 545 Ca -0.49 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1ogy h THR 545 Cb 1.18 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 1ogy h THR 545 CO 0.42 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 176.16 1ogy n ASP 546 N -3.60 0.00 0.00 5.36 8.00 -1.26 -3.03 116.55 122.02 1ogy n ASP 546 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.52 1ogy n ASP 546 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 1ogy n ASP 546 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ogy n GLU 547 N 0.00 0.00 -0.11 -1.24 1.02 -1.20 -1.80 120.64 117.30 1ogy n GLU 547 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 1ogy n GLU 547 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.29 1ogy n GLU 547 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ogy n VAL 548 N 0.00 1.35 -2.85 2.62 0.31 -1.11 -5.02 118.33 113.62 1ogy n VAL 548 Ca 0.00 -0.64 -0.32 0.00 -0.01 0.00 0.00 64.34 63.37 1ogy n VAL 548 Cb 0.00 -1.01 -0.05 0.00 -0.91 0.00 0.00 33.84 31.87 1ogy n VAL 548 CO 0.00 0.00 0.00 0.26 -1.32 0.00 0.00 176.83 175.77 1ogy s TRP 549 N -2.47 3.40 0.34 3.52 0.52 -0.75 -4.89 118.94 118.61 1ogy s TRP 549 Ca -0.23 1.30 -0.28 0.00 0.02 0.00 0.00 56.10 56.90 1ogy s TRP 549 Cb 0.07 -2.62 -0.10 0.00 -1.15 0.00 0.00 33.47 29.67 1ogy s TRP 549 CO 0.64 -0.09 1.30 -1.25 0.02 0.00 0.00 176.95 177.57 1ogy s PRO 550 N -3.48 4.32 0.29 4.98 0.04 -1.26 -4.85 135.00 135.05 1ogy s PRO 550 Ca 0.56 2.20 0.01 0.00 0.04 0.00 0.00 61.00 63.81 1ogy s PRO 550 Cb -0.10 -3.04 0.55 0.00 0.04 0.00 0.00 34.50 31.96 1ogy s PRO 550 CO 0.23 -0.21 1.87 1.05 0.04 0.00 0.00 177.00 179.98 1ogy h GLU 551 N 3.31 0.97 0.11 4.56 4.11 -1.95 -2.64 114.58 123.05 1ogy h GLU 551 Ca -0.49 -0.06 0.02 0.00 0.07 0.00 0.00 59.36 58.90 1ogy h GLU 551 Cb 1.23 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 30.21 1ogy h GLU 551 CO 0.65 0.64 -0.48 0.93 0.07 0.00 0.00 179.01 180.82 1ogy h GLU 552 N 1.00 -0.68 -0.83 1.06 5.08 -1.99 0.41 114.58 118.62 1ogy h GLU 552 Ca 0.44 0.05 0.17 0.00 -1.00 0.00 0.00 59.36 59.02 1ogy h GLU 552 Cb 0.36 0.15 -0.10 0.00 0.50 0.00 0.00 28.75 29.67 1ogy h GLU 552 CO -0.20 -0.45 0.38 0.82 -1.00 0.00 0.00 179.01 178.55 1ogy h ILE 553 N -0.71 0.63 0.75 3.13 2.04 -1.88 -0.83 117.51 120.66 1ogy h ILE 553 Ca 0.01 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 1ogy h ILE 553 Cb 0.73 0.09 0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1ogy h ILE 553 CO -0.28 0.09 -0.36 -0.07 0.00 0.00 0.00 178.15 177.53 1ogy h LEU 554 N 0.50 -0.86 -0.94 1.44 3.38 -0.86 -2.08 115.31 115.90 1ogy h LEU 554 Ca 0.48 0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.62 1ogy h LEU 554 Cb 0.76 0.22 -0.15 0.00 0.09 0.00 0.00 40.66 41.58 1ogy h LEU 554 CO -0.42 -0.61 -0.36 -1.54 0.09 0.00 0.00 178.44 175.59 1ogy n SER 555 N -5.52 -0.61 -0.24 -0.43 3.41 0.13 0.16 113.62 110.53 1ogy n SER 555 Ca -0.14 1.63 0.11 0.00 -0.26 0.00 0.00 58.87 60.20 1ogy n SER 555 Cb 0.41 -0.37 0.38 0.00 -0.26 0.00 0.00 64.21 64.36 1ogy n SER 555 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ogy h ALA 556 N 1.29 1.81 -2.85 7.33 0.00 -0.95 -3.37 119.26 122.53 1ogy h ALA 556 Ca 0.33 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.68 1ogy h ALA 556 Cb 0.56 -0.14 -0.40 0.00 0.00 0.00 0.00 17.79 17.81 1ogy h ALA 556 CO -0.93 -0.01 -0.79 0.00 0.00 0.00 0.00 179.25 177.52 1ogy s ALA 557 N -5.66 1.03 0.18 0.00 0.00 0.43 -5.00 121.76 112.74 1ogy s ALA 557 Ca -0.10 -1.52 -0.22 0.00 0.00 0.00 0.00 51.96 50.12 1ogy s ALA 557 Cb 0.21 -1.53 0.09 0.00 0.00 0.00 0.00 23.12 21.89 1ogy s ALA 557 CO 0.78 -1.79 1.59 -1.00 0.00 0.00 0.00 175.76 175.35 1ogy h PRO 558 N 7.89 -0.20 -5.53 0.00 0.13 -1.71 -3.23 132.00 129.36 1ogy h PRO 558 Ca -0.11 0.01 -0.20 0.00 -0.87 0.00 0.00 66.00 64.83 1ogy h PRO 558 Cb 1.00 0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.14 1ogy h PRO 558 CO 0.41 -0.13 0.54 0.00 -0.23 0.00 0.00 178.00 178.59 1ogy s ALA 559 N -5.99 1.32 0.00 -0.56 0.00 -1.26 -0.83 121.76 114.44 1ogy s ALA 559 Ca -0.15 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.40 1ogy s ALA 559 Cb 0.15 -4.59 0.00 0.00 0.00 0.00 0.00 23.12 18.67 1ogy s ALA 559 CO 0.68 -5.36 0.00 0.66 0.00 0.00 0.00 175.76 171.74 1ogy n TYR 560 N 15.79 0.00 -3.48 0.00 0.53 -1.22 -5.07 117.16 123.71 1ogy n TYR 560 Ca 0.43 0.00 -0.18 0.00 -1.02 0.00 0.00 57.90 57.12 1ogy n TYR 560 Cb 0.46 0.00 -0.12 0.00 -1.03 0.00 0.00 39.34 38.64 1ogy n TYR 560 CO 0.00 0.00 0.00 1.03 -1.02 0.00 0.00 176.86 176.87 1ogy s ARG 561 N 0.00 0.21 0.66 -0.72 0.52 -0.01 -4.57 118.95 115.05 1ogy s ARG 561 Ca 0.00 0.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.33 1ogy s ARG 561 Cb 0.00 -1.11 0.00 0.00 0.52 0.00 0.00 34.95 34.36 1ogy s ARG 561 CO 0.00 -0.73 0.00 0.41 0.02 0.00 0.00 175.30 175.00 1ogy n GLY 562 N 5.31 1.03 5.11 -3.53 0.00 -1.26 -4.96 105.19 106.89 1ogy n GLY 562 Ca -0.05 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1ogy n GLY 562 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ogy n LYS 563 N 0.00 0.00 -0.08 1.61 4.76 -1.26 -1.28 118.16 121.91 1ogy n LYS 563 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1ogy n LYS 563 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1ogy n LYS 563 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1ogy n THR 564 N 0.00 -0.61 -1.54 -0.18 -2.24 -1.25 -4.41 114.28 104.06 1ogy n THR 564 Ca 0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 1ogy n THR 564 Cb 0.00 -0.61 -0.06 0.00 -2.10 0.00 0.00 70.33 67.57 1ogy n THR 564 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ogy n LEU 565 N -0.15 1.89 0.00 3.22 4.77 0.49 -0.39 117.00 126.83 1ogy n LEU 565 Ca 0.00 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 1ogy n LEU 565 Cb 0.00 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 39.66 1ogy n LEU 565 CO 0.00 -1.36 0.00 0.33 -1.33 0.00 0.00 177.39 175.03 1ogy n PHE 566 N 14.56 0.00 -0.16 -1.77 7.35 -1.26 -3.10 117.46 133.08 1ogy n PHE 566 Ca 0.43 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 57.04 1ogy n PHE 566 Cb 0.43 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.26 1ogy n PHE 566 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1ogy h GLU 567 N 0.00 0.68 0.00 -4.13 5.08 -0.93 1.83 114.58 117.11 1ogy h GLU 567 Ca 0.00 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 1ogy h GLU 567 Cb 0.00 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1ogy h GLU 567 CO 0.00 0.61 -0.39 0.28 -1.00 0.00 0.00 179.01 178.51 1ogy h VAL 568 N 0.59 0.92 0.00 3.13 2.07 -1.79 -2.53 116.25 118.64 1ogy h VAL 568 Ca 0.15 -1.55 -0.25 0.00 0.82 0.00 0.00 66.70 65.87 1ogy h VAL 568 Cb 0.18 1.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 1ogy h VAL 568 CO -0.01 0.38 -1.95 0.18 0.02 0.00 0.00 177.57 176.19 1ogy n LEU 569 N -3.56 1.30 0.00 2.57 4.77 -0.82 -4.71 117.00 116.55 1ogy n LEU 569 Ca -0.00 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1ogy n LEU 569 Cb 0.51 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1ogy n LEU 569 CO 0.37 0.53 0.02 0.49 -1.33 0.00 0.00 177.39 177.47 1ogy n PHE 570 N -2.72 0.00 -1.97 -1.77 3.01 0.52 -4.71 117.46 109.82 1ogy n PHE 570 Ca -0.26 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 57.95 1ogy n PHE 570 Cb 0.89 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 40.38 1ogy n PHE 570 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ogy n ALA 571 N -0.59 5.17 0.34 4.37 0.00 0.42 -3.74 120.51 126.47 1ogy n ALA 571 Ca 0.00 -3.78 0.15 0.00 0.00 0.00 0.00 53.44 49.81 1ogy n ALA 571 Cb 0.01 -0.50 0.58 0.00 0.00 0.00 0.00 19.45 19.54 1ogy n ALA 571 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1ogy h ASN 572 N 2.18 0.00 0.00 0.00 2.35 -1.67 -3.44 115.58 115.01 1ogy h ASN 572 Ca 0.39 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.14 1ogy h ASN 572 Cb 1.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.80 1ogy h ASN 572 CO 0.86 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 177.25 1ogy n GLY 573 N 0.12 0.73 0.59 2.83 0.00 -1.26 -4.82 105.19 103.39 1ogy n GLY 573 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 1ogy n GLY 573 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ogy n SER 574 N 0.00 1.13 0.20 1.61 2.88 -1.26 -4.22 113.62 113.96 1ogy n SER 574 Ca 0.00 0.19 0.09 0.00 -1.33 0.00 0.00 58.87 57.82 1ogy n SER 574 Cb 0.00 -0.44 0.19 0.00 -0.75 0.00 0.00 64.21 63.21 1ogy n SER 574 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1ogy h VAL 575 N -0.47 0.31 0.00 2.46 2.07 -1.85 -2.91 116.25 115.85 1ogy h VAL 575 Ca -0.22 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 65.96 1ogy h VAL 575 Cb 1.00 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1ogy h VAL 575 CO -0.13 0.17 -0.24 0.44 0.02 0.00 0.00 177.57 177.83 1ogy h ASP 576 N 0.00 0.00 -0.39 0.57 3.45 -1.83 -3.40 116.42 114.82 1ogy h ASP 576 Ca -0.00 -0.07 0.08 0.00 0.43 0.00 0.00 57.03 57.46 1ogy h ASP 576 Cb 1.06 0.00 -0.07 0.00 -0.56 0.00 0.00 39.33 39.76 1ogy h ASP 576 CO 0.02 0.04 -0.10 -1.14 -1.57 0.00 0.00 179.24 176.48 1ogy n ARG 577 N -2.29 -0.04 -3.86 3.56 0.63 -1.10 -4.40 116.66 109.15 1ogy n ARG 577 Ca 0.05 0.62 -0.35 0.00 -0.92 0.00 0.00 57.85 57.24 1ogy n ARG 577 Cb 0.44 -0.92 -0.08 0.00 0.45 0.00 0.00 32.46 32.36 1ogy n ARG 577 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1ogy s PHE 578 N -5.49 3.40 0.86 -0.14 0.40 -1.26 -5.07 117.98 110.68 1ogy s PHE 578 Ca -0.06 0.30 -0.11 0.00 -0.60 0.00 0.00 56.93 56.46 1ogy s PHE 578 Cb 0.10 -2.08 0.11 0.00 0.51 0.00 0.00 43.02 41.67 1ogy s PHE 578 CO 0.31 0.36 1.09 -1.25 0.70 0.00 0.00 175.22 176.43 1ogy s PRO 579 N 0.01 1.53 0.00 0.24 0.04 -1.26 -1.88 135.00 133.69 1ogy s PRO 579 Ca 0.08 1.00 0.01 0.00 0.04 0.00 0.00 61.00 62.13 1ogy s PRO 579 Cb -0.12 -1.83 0.03 0.00 0.04 0.00 0.00 34.50 32.63 1ogy s PRO 579 CO -0.00 -2.10 1.01 0.00 0.04 0.00 0.00 177.00 175.95 1ogy n ALA 580 N -3.81 1.05 -1.28 8.56 0.00 -1.18 -4.11 120.51 119.74 1ogy n ALA 580 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1ogy n ALA 580 Cb 0.54 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1ogy n ALA 580 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ogy n SER 581 N -1.48 0.00 -1.82 0.00 2.88 -1.26 -4.42 113.62 107.51 1ogy n SER 581 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 1ogy n SER 581 Cb 0.01 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.43 1ogy n SER 581 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1ogy n ASP 582 N 0.00 -4.19 -2.49 -3.46 9.92 -1.26 -4.82 116.55 110.25 1ogy n ASP 582 Ca 0.00 0.28 -0.11 0.00 -0.53 0.00 0.00 54.79 54.43 1ogy n ASP 582 Cb 0.00 -3.71 0.04 0.00 -0.64 0.00 0.00 41.12 36.81 1ogy n ASP 582 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1ogy n VAL 583 N -2.62 1.79 -2.03 2.53 3.14 -1.26 -5.02 118.33 114.86 1ogy n VAL 583 Ca -0.16 -3.52 0.00 0.00 -2.96 0.00 0.00 64.34 57.70 1ogy n VAL 583 Cb 0.55 0.21 0.00 0.00 -1.06 0.00 0.00 33.84 33.54 1ogy n VAL 583 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1ogy n ASN 584 N -0.61 -4.79 -0.31 6.55 2.85 -1.26 -4.73 115.26 112.95 1ogy n ASN 584 Ca 0.23 1.36 -0.02 0.00 -0.11 0.00 0.00 54.58 56.04 1ogy n ASN 584 Cb 0.86 -3.40 0.04 0.00 1.24 0.00 0.00 39.78 38.53 1ogy n ASN 584 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1ogy h PRO 585 N 4.00 -0.05 -7.46 1.20 0.11 -1.99 -3.38 132.00 124.42 1ogy h PRO 585 Ca 0.00 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.66 1ogy h PRO 585 Cb 0.00 0.01 0.14 0.00 0.11 0.00 0.00 31.00 31.26 1ogy h PRO 585 CO 0.00 -0.04 0.27 -0.51 -0.21 0.00 0.00 178.00 177.52 1ogy s ASP 586 N -5.28 3.26 0.13 -2.05 1.01 -1.26 -4.85 116.67 107.63 1ogy s ASP 586 Ca -0.14 1.01 0.00 0.00 0.71 0.00 0.00 52.55 54.13 1ogy s ASP 586 Cb 0.19 -1.60 0.00 0.00 1.01 0.00 0.00 42.92 42.52 1ogy s ASP 586 CO 0.71 -2.71 0.00 1.41 0.21 0.00 0.00 175.17 174.79 1ogy n HIS 587 N -3.88 -2.30 -2.78 4.23 8.25 -1.26 -5.05 115.22 112.43 1ogy n HIS 587 Ca 0.06 1.32 -0.20 0.00 -0.26 0.00 0.00 57.72 58.63 1ogy n HIS 587 Cb 0.59 -2.69 0.05 0.00 1.12 0.00 0.00 29.99 29.06 1ogy n HIS 587 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ogy s ALA 588 N -0.73 4.14 -0.40 -1.41 0.00 -1.25 -4.88 121.76 117.24 1ogy s ALA 588 Ca 0.00 -1.61 0.05 0.00 0.00 0.00 0.00 51.96 50.40 1ogy s ALA 588 Cb 0.00 -1.86 0.17 0.00 0.00 0.00 0.00 23.12 21.43 1ogy s ALA 588 CO 0.00 -0.78 0.50 1.21 0.00 0.00 0.00 175.76 176.69 1ogy s ASN 589 N -4.50 -0.12 0.51 0.00 3.84 -1.26 -4.14 114.94 109.27 1ogy s ASN 589 Ca 0.59 -1.30 0.25 0.00 0.21 0.00 0.00 52.86 52.61 1ogy s ASN 589 Cb -0.09 1.20 1.35 0.00 -0.55 0.00 0.00 41.25 43.17 1ogy s ASN 589 CO 0.38 -0.21 1.95 1.12 -2.79 0.00 0.00 177.10 177.56 1ogy h HIS 590 N 6.87 0.10 0.00 0.43 2.07 -1.96 0.37 115.15 123.03 1ogy h HIS 590 Ca 0.06 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.58 1ogy h HIS 590 Cb 1.11 -0.03 0.00 0.00 2.57 0.00 0.00 27.41 31.05 1ogy h HIS 590 CO 0.24 0.04 0.00 0.39 -3.07 0.00 0.00 177.93 175.52 1ogy n GLU 591 N -4.37 0.73 -0.01 5.12 1.02 -1.26 -2.32 120.64 119.55 1ogy n GLU 591 Ca 0.13 0.01 0.05 0.00 -0.02 0.00 0.00 57.16 57.33 1ogy n GLU 591 Cb 0.69 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.53 1ogy n GLU 591 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ogy n ALA 592 N -1.10 2.35 0.07 0.62 0.00 0.12 -4.43 120.51 118.15 1ogy n ALA 592 Ca 0.19 -0.28 -0.21 0.00 0.00 0.00 0.00 53.44 53.14 1ogy n ALA 592 Cb 0.14 -0.34 -0.11 0.00 0.00 0.00 0.00 19.45 19.14 1ogy n ALA 592 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ogy h ALA 593 N 0.94 0.08 -2.56 0.00 0.00 -1.20 -3.41 119.26 113.12 1ogy h ALA 593 Ca -0.02 -0.74 -0.55 0.00 0.00 0.00 0.00 54.91 53.60 1ogy h ALA 593 Cb 0.57 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1ogy h ALA 593 CO 0.00 0.71 -0.07 -0.51 0.00 0.00 0.00 179.25 179.38 1ogy s LEU 594 N -7.92 4.28 0.22 0.00 1.43 -0.98 -4.82 118.68 110.90 1ogy s LEU 594 Ca -0.09 1.07 0.00 0.00 -1.03 0.00 0.00 54.13 54.08 1ogy s LEU 594 Cb 0.06 -3.43 0.00 0.00 0.03 0.00 0.00 46.19 42.85 1ogy s LEU 594 CO 0.92 0.04 0.00 0.49 0.23 0.00 0.00 176.35 178.03 1ogy n PHE 595 N 0.51 -1.50 0.89 0.29 3.72 -1.26 -4.63 117.46 115.47 1ogy n PHE 595 Ca -0.03 0.82 0.10 0.00 -0.05 0.00 0.00 57.45 58.29 1ogy n PHE 595 Cb 0.52 -1.47 -0.01 0.00 -0.94 0.00 0.00 39.48 37.59 1ogy n PHE 595 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ogy n GLY 596 N -2.39 -0.00 0.00 1.37 0.00 -1.26 -4.70 105.19 98.21 1ogy n GLY 596 Ca -0.02 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1ogy n GLY 596 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1ogy n PHE 597 N -0.08 0.00 -3.43 1.61 -1.74 -1.26 -3.10 117.46 109.46 1ogy n PHE 597 Ca 0.08 0.00 -0.28 0.00 -0.56 0.00 0.00 57.45 56.69 1ogy n PHE 597 Cb 0.42 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.30 1ogy n PHE 597 CO 0.00 0.00 0.00 -0.47 -0.56 0.00 0.00 176.76 175.73 1ogy s TYR 598 N 2.45 0.71 0.13 2.97 5.04 -0.78 -3.93 117.35 123.94 1ogy s TYR 598 Ca 0.00 -1.71 -0.30 0.00 -2.44 0.00 0.00 57.07 52.62 1ogy s TYR 598 Cb 0.00 -0.87 -0.09 0.00 0.35 0.00 0.00 41.96 41.36 1ogy s TYR 598 CO 0.00 -0.84 1.50 -1.35 -1.34 0.00 0.00 175.55 173.52 1ogy h PRO 599 N 6.71 -0.22 -0.19 4.97 0.11 -1.83 -2.36 132.00 139.18 1ogy h PRO 599 Ca 0.10 0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.27 1ogy h PRO 599 Cb 0.96 0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.05 1ogy h PRO 599 CO 0.28 -0.15 -0.47 -0.56 -0.21 0.00 0.00 178.00 176.89 1ogy h GLN 600 N -0.23 -0.48 -0.24 1.05 -0.00 -1.95 0.34 115.11 113.60 1ogy h GLN 600 Ca 0.10 0.03 0.06 0.00 -0.00 0.00 0.00 58.65 58.84 1ogy h GLN 600 Cb 0.48 0.11 -0.06 0.00 -0.00 0.00 0.00 27.48 28.01 1ogy h GLN 600 CO -0.67 -0.32 -0.17 -0.22 -0.00 0.00 0.00 178.83 177.45 1ogy h LYS 601 N -0.49 -0.16 0.22 0.06 3.64 -1.92 0.33 116.57 118.25 1ogy h LYS 601 Ca 0.07 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1ogy h LYS 601 Cb 0.64 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.47 1ogy h LYS 601 CO -0.45 -0.11 -0.28 0.78 -2.27 0.00 0.00 179.45 177.12 1ogy h GLY 602 N -0.16 -0.60 0.96 5.01 0.00 -0.75 -0.23 103.07 107.30 1ogy h GLY 602 Ca 0.14 0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.78 1ogy h GLY 602 CO -0.34 -0.24 0.21 1.41 0.00 0.00 0.00 176.54 177.58 1ogy h LEU 603 N -0.56 0.51 0.44 3.11 4.07 -0.16 -0.17 115.31 122.55 1ogy h LEU 603 Ca 0.00 -0.10 -0.01 0.00 0.08 0.00 0.00 57.88 57.85 1ogy h LEU 603 Cb 0.54 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.13 1ogy h LEU 603 CO -0.10 0.47 -0.41 0.15 -1.08 0.00 0.00 178.44 177.47 1ogy h PHE 604 N 0.52 -1.15 -0.42 1.13 3.57 -0.04 0.14 116.94 120.69 1ogy h PHE 604 Ca 0.14 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.69 1ogy h PHE 604 Cb 0.08 0.44 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 1ogy h PHE 604 CO -0.02 -0.56 0.28 0.93 -2.23 0.00 0.00 178.31 176.71 1ogy h GLU 605 N -0.85 0.40 0.39 1.11 4.39 -0.99 0.47 114.58 119.50 1ogy h GLU 605 Ca -0.06 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 1ogy h GLU 605 Cb 0.73 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1ogy h GLU 605 CO -0.04 0.26 -0.19 1.49 -1.16 0.00 0.00 179.01 179.38 1ogy h GLU 606 N 0.41 -0.51 -1.25 2.33 4.81 -0.66 -3.03 114.58 116.67 1ogy h GLU 606 Ca 0.17 0.03 0.37 0.00 -0.13 0.00 0.00 59.36 59.81 1ogy h GLU 606 Cb 0.18 0.12 -0.10 0.00 0.63 0.00 0.00 28.75 29.58 1ogy h GLU 606 CO -0.04 -0.34 0.84 -0.92 -0.73 0.00 0.00 179.01 177.82 1ogy h TYR 607 N -0.77 0.42 -0.05 0.92 3.20 -0.34 0.11 116.97 120.47 1ogy h TYR 607 Ca -0.05 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 1ogy h TYR 607 Cb 0.41 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 1ogy h TYR 607 CO 0.05 -0.06 -0.03 0.00 -1.64 0.00 0.00 178.16 176.49 1ogy h ALA 608 N 1.52 1.87 0.00 1.82 0.00 0.05 -2.25 119.26 122.26 1ogy h ALA 608 Ca 0.70 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.55 1ogy h ALA 608 Cb 2.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 20.01 1ogy h ALA 608 CO -0.26 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.10 1ogy n ALA 609 N -2.52 1.54 -0.02 0.00 0.00 0.40 -2.45 120.51 117.46 1ogy n ALA 609 Ca -0.02 0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.40 1ogy n ALA 609 Cb 0.14 -1.35 0.03 0.00 0.00 0.00 0.00 19.45 18.27 1ogy n ALA 609 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1ogy h PHE 610 N 0.00 0.80 -1.65 0.00 -1.00 -1.55 -3.43 116.94 110.11 1ogy h PHE 610 Ca 0.00 -0.28 0.00 0.00 2.81 0.00 0.00 57.97 60.50 1ogy h PHE 610 Cb 0.29 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 39.69 1ogy h PHE 610 CO 0.00 1.03 0.00 0.41 -1.61 0.00 0.00 178.31 178.14 1ogy n GLY 611 N 0.26 1.62 2.11 -1.45 0.00 -1.03 -4.84 105.19 101.87 1ogy n GLY 611 Ca -0.03 -1.89 -0.02 0.00 0.00 0.00 0.00 46.02 44.07 1ogy n GLY 611 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ogy n ARG 612 N 0.00 -2.32 0.00 1.61 1.74 -1.16 -4.69 116.66 111.85 1ogy n ARG 612 Ca 0.00 2.00 0.00 0.00 -0.77 0.00 0.00 57.85 59.08 1ogy n ARG 612 Cb 0.00 -3.28 0.00 0.00 -1.02 0.00 0.00 32.46 28.16 1ogy n ARG 612 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ogy n GLY 613 N 0.75 1.21 3.52 -0.13 0.00 -1.26 -4.95 105.19 104.33 1ogy n GLY 613 Ca -0.16 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.55 1ogy n GLY 613 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ogy n HIS 614 N 0.00 0.78 0.00 1.61 8.25 -1.26 -4.73 115.22 119.86 1ogy n HIS 614 Ca 0.00 0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 1ogy n HIS 614 Cb 0.00 -2.20 0.00 0.00 1.12 0.00 0.00 29.99 28.91 1ogy n HIS 614 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ogy n GLY 615 N 6.24 0.90 0.54 -1.41 0.00 -1.26 -4.58 105.19 105.62 1ogy n GLY 615 Ca 0.56 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1ogy n GLY 615 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ogy n HIS 616 N 7.28 -0.51 -1.54 1.61 8.25 -1.26 -2.98 115.22 126.07 1ogy n HIS 616 Ca 0.00 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 57.00 1ogy n HIS 616 Cb 0.00 -0.52 -0.05 0.00 1.12 0.00 0.00 29.99 30.54 1ogy n HIS 616 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1ogy n ASP 617 N 0.56 2.81 -4.90 0.41 8.00 -1.26 -3.96 116.55 118.21 1ogy n ASP 617 Ca 0.00 0.33 -0.30 0.00 0.71 0.00 0.00 54.79 55.53 1ogy n ASP 617 Cb 0.00 -1.43 -0.04 0.00 -0.02 0.00 0.00 41.12 39.63 1ogy n ASP 617 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ogy s LEU 618 N 7.68 4.16 0.92 0.64 1.43 -1.26 0.98 118.68 133.22 1ogy s LEU 618 Ca 1.04 0.71 -0.14 0.00 -1.03 0.00 0.00 54.13 54.70 1ogy s LEU 618 Cb -0.57 -3.48 0.15 0.00 0.03 0.00 0.00 46.19 42.32 1ogy s LEU 618 CO 0.42 -0.08 1.22 0.00 0.23 0.00 0.00 176.35 178.13 1ogy s ALA 619 N -1.88 2.16 0.30 4.21 0.00 -1.26 -4.78 121.76 120.51 1ogy s ALA 619 Ca 0.44 -0.84 -0.29 0.00 0.00 0.00 0.00 51.96 51.26 1ogy s ALA 619 Cb -0.11 -2.90 -0.11 0.00 0.00 0.00 0.00 23.12 20.00 1ogy s ALA 619 CO 0.26 -2.23 1.47 -2.14 0.00 0.00 0.00 175.76 173.12 1ogy s PRO 620 N -5.62 4.21 0.13 0.00 0.02 -1.26 -4.91 135.00 127.58 1ogy s PRO 620 Ca 0.67 2.42 -0.26 0.00 0.02 0.00 0.00 61.00 63.85 1ogy s PRO 620 Cb -0.09 -3.05 -0.06 0.00 0.02 0.00 0.00 34.50 31.32 1ogy s PRO 620 CO 0.52 -0.46 1.40 0.34 -0.33 0.00 0.00 177.00 178.46 1ogy n PHE 621 N 1.59 -0.37 -0.27 6.54 7.35 -1.26 -0.39 117.46 130.65 1ogy n PHE 621 Ca 0.05 1.05 0.23 0.00 -0.76 0.00 0.00 57.45 58.01 1ogy n PHE 621 Cb 0.40 -0.56 0.55 0.00 0.35 0.00 0.00 39.48 40.21 1ogy n PHE 621 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1ogy h ASP 622 N 0.00 0.34 -0.53 -2.13 3.32 -1.99 -1.76 116.42 113.67 1ogy h ASP 622 Ca 0.13 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.26 1ogy h ASP 622 Cb 0.34 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 1ogy h ASP 622 CO -0.79 0.11 0.32 0.74 -1.72 0.00 0.00 179.24 177.90 1ogy h THR 623 N 0.33 1.06 0.00 0.35 2.02 -1.08 -2.01 112.91 113.58 1ogy h THR 623 Ca 0.52 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.48 1ogy h THR 623 Cb 1.43 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1ogy h THR 623 CO -0.19 0.12 0.11 1.88 0.37 0.00 0.00 175.52 177.82 1ogy h TYR 624 N 0.64 0.00 0.00 3.16 -1.99 -1.30 -0.81 116.97 116.67 1ogy h TYR 624 Ca 0.21 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.87 1ogy h TYR 624 Cb 0.01 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.73 1ogy h TYR 624 CO -0.06 0.00 -0.84 0.45 -0.00 0.00 0.00 178.16 177.70 1ogy h HIS 625 N 0.00 0.00 0.00 4.88 3.86 -1.48 -3.33 115.15 119.08 1ogy h HIS 625 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1ogy h HIS 625 Cb 0.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.70 1ogy h HIS 625 CO 0.00 0.27 -0.72 0.39 0.86 0.00 0.00 177.93 178.73 1ogy n GLU 626 N -2.93 0.27 -4.49 2.45 -0.58 -0.33 -4.93 120.64 110.11 1ogy n GLU 626 Ca -0.02 0.06 -0.24 0.00 -0.42 0.00 0.00 57.16 56.54 1ogy n GLU 626 Cb 0.67 -1.65 -0.10 0.00 -0.57 0.00 0.00 31.44 29.79 1ogy n GLU 626 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1ogy s VAL 627 N -3.16 2.19 -1.21 2.62 1.01 -1.12 -5.05 120.40 115.68 1ogy s VAL 627 Ca 0.06 -2.26 -0.07 0.00 0.00 0.00 0.00 61.98 59.71 1ogy s VAL 627 Cb 0.14 -2.45 0.21 0.00 0.00 0.00 0.00 36.38 34.28 1ogy s VAL 627 CO 0.74 -0.31 1.84 0.54 0.00 0.00 0.00 175.10 177.90 1ogy n ARG 628 N -0.67 4.17 -0.48 2.72 3.00 -1.26 -4.85 116.66 119.30 1ogy n ARG 628 Ca -0.05 -3.91 0.04 0.00 -0.01 0.00 0.00 57.85 53.91 1ogy n ARG 628 Cb 0.62 -2.72 -0.02 0.00 0.00 0.00 0.00 32.46 30.34 1ogy n ARG 628 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ogy n GLY 629 N 1.97 -3.00 2.77 -0.13 0.00 -1.26 -4.67 105.19 100.87 1ogy n GLY 629 Ca 0.40 -1.26 -0.15 0.00 0.00 0.00 0.00 46.02 45.00 1ogy n GLY 629 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ogy s LEU 630 N -4.57 0.95 0.18 0.99 1.43 -1.24 -4.95 118.68 111.46 1ogy s LEU 630 Ca 0.00 0.07 -0.30 0.00 -1.03 0.00 0.00 54.13 52.87 1ogy s LEU 630 Cb 0.00 -0.04 -0.08 0.00 0.03 0.00 0.00 46.19 46.11 1ogy s LEU 630 CO 0.00 -0.14 1.11 -1.00 0.23 0.00 0.00 176.35 176.55 1ogy s HIS 631 N 1.20 3.57 0.19 0.29 3.76 -1.25 -2.70 115.29 120.35 1ogy s HIS 631 Ca -0.08 1.57 -0.12 0.00 -0.15 0.00 0.00 55.06 56.28 1ogy s HIS 631 Cb -0.13 -3.30 -0.07 0.00 1.11 0.00 0.00 32.58 30.19 1ogy s HIS 631 CO -0.03 -0.70 0.55 1.67 -0.85 0.00 0.00 174.74 175.38 1ogy s TRP 632 N -0.19 3.51 0.00 1.40 1.48 0.94 -2.38 118.94 123.70 1ogy s TRP 632 Ca 0.50 0.97 0.00 0.00 -1.06 0.00 0.00 56.10 56.51 1ogy s TRP 632 Cb -0.30 -2.32 0.00 0.00 -1.16 0.00 0.00 33.47 29.69 1ogy s TRP 632 CO 0.35 0.34 0.00 -0.35 -4.06 0.00 0.00 176.95 173.23 1ogy n PRO 633 N 0.32 0.00 -2.99 3.25 -0.05 -1.23 -4.79 135.00 129.51 1ogy n PRO 633 Ca -0.02 0.00 -0.44 0.00 -0.05 0.00 0.00 63.50 62.99 1ogy n PRO 633 Cb 0.52 0.00 -0.04 0.00 -0.05 0.00 0.00 33.50 33.93 1ogy n PRO 633 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 1ogy s VAL 634 N 0.00 4.63 -0.28 0.52 1.01 0.27 -3.74 120.40 122.81 1ogy s VAL 634 Ca 0.00 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 61.03 1ogy s VAL 634 Cb 0.00 -4.61 -0.01 0.00 0.00 0.00 0.00 36.38 31.76 1ogy s VAL 634 CO 0.00 -1.31 0.10 -0.69 0.00 0.00 0.00 175.10 173.20 1ogy s VAL 635 N 3.15 4.29 -1.07 2.92 1.01 -0.95 -4.41 120.40 125.34 1ogy s VAL 635 Ca 0.19 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.68 1ogy s VAL 635 Cb -0.18 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.08 1ogy s VAL 635 CO 0.05 0.17 0.88 -0.62 0.00 0.00 0.00 175.10 175.57 1ogy n GLU 636 N 4.92 -5.97 -1.24 2.72 1.02 -1.26 -2.44 120.64 118.40 1ogy n GLU 636 Ca -0.15 0.65 -0.08 0.00 -0.02 0.00 0.00 57.16 57.56 1ogy n GLU 636 Cb 0.50 -5.14 -0.03 0.00 -0.02 0.00 0.00 31.44 26.74 1ogy n GLU 636 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ogy n GLY 637 N -1.65 0.95 3.18 0.62 0.00 -1.26 -5.00 105.19 102.03 1ogy n GLY 637 Ca -0.00 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 1ogy n GLY 637 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ogy s GLU 638 N -2.41 3.09 0.80 1.61 2.02 -1.02 -5.10 118.70 117.69 1ogy s GLU 638 Ca 0.00 -0.79 -0.11 0.00 0.02 0.00 0.00 54.97 54.09 1ogy s GLU 638 Cb 0.00 -2.62 0.07 0.00 0.10 0.00 0.00 34.13 31.68 1ogy s GLU 638 CO 0.00 -0.14 1.09 -1.83 0.02 0.00 0.00 175.26 174.39 1ogy s GLU 639 N 1.17 2.07 -0.23 1.61 -1.05 -1.26 -2.23 118.70 118.78 1ogy s GLU 639 Ca 0.02 0.83 -0.00 0.00 -0.15 0.00 0.00 54.97 55.67 1ogy s GLU 639 Cb -0.14 -1.90 0.03 0.00 -0.44 0.00 0.00 34.13 31.68 1ogy s GLU 639 CO -0.08 -1.68 -0.11 0.99 0.95 0.00 0.00 175.26 175.33 1ogy s THR 640 N -3.04 2.53 -0.02 1.83 2.01 -1.00 -4.95 115.64 113.01 1ogy s THR 640 Ca 0.61 -1.08 -0.01 0.00 0.31 0.00 0.00 61.69 61.52 1ogy s THR 640 Cb -0.16 -2.25 -0.01 0.00 0.01 0.00 0.00 72.50 70.09 1ogy s THR 640 CO 0.55 0.27 0.13 0.03 -0.69 0.00 0.00 174.62 174.91 1ogy h ARG 641 N 7.95 -0.03 -5.10 4.92 3.08 -1.87 -3.41 114.38 119.91 1ogy h ARG 641 Ca -0.35 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.08 1ogy h ARG 641 Cb 1.11 0.01 -0.16 0.00 0.08 0.00 0.00 29.97 31.01 1ogy h ARG 641 CO 0.57 -0.02 -0.53 -1.58 -1.07 0.00 0.00 179.97 177.34 1ogy s TRP 642 N -1.42 3.27 0.19 3.04 0.51 -1.26 -4.31 118.94 118.97 1ogy s TRP 642 Ca -0.01 0.12 -0.09 0.00 -2.12 0.00 0.00 56.10 54.01 1ogy s TRP 642 Cb 0.00 -2.24 -0.07 0.00 -0.81 0.00 0.00 33.47 30.36 1ogy s TRP 642 CO 0.02 0.02 0.50 1.03 -0.51 0.00 0.00 176.95 178.01 1ogy s ARG 643 N 1.03 3.77 -0.80 4.98 0.52 0.01 -3.13 118.95 125.33 1ogy s ARG 643 Ca 0.07 0.19 0.00 0.00 -0.52 0.00 0.00 55.73 55.47 1ogy s ARG 643 Cb -0.14 -2.74 0.00 0.00 0.52 0.00 0.00 34.95 32.60 1ogy s ARG 643 CO 0.04 0.38 0.00 0.66 0.02 0.00 0.00 175.30 176.40 1ogy n TYR 644 N 0.04 -0.18 -4.19 -0.53 4.01 -1.26 -4.73 117.16 110.33 1ogy n TYR 644 Ca -0.01 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.46 1ogy n TYR 644 Cb 0.52 -1.92 -0.17 0.00 -0.31 0.00 0.00 39.34 37.47 1ogy n TYR 644 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1ogy s ARG 645 N -3.50 1.74 0.25 -0.72 1.81 -1.26 -3.19 118.95 114.08 1ogy s ARG 645 Ca 0.00 -0.37 -0.31 0.00 -1.72 0.00 0.00 55.73 53.33 1ogy s ARG 645 Cb 0.00 -1.62 -0.13 0.00 -0.45 0.00 0.00 34.95 32.75 1ogy s ARG 645 CO 0.00 -0.15 1.44 -1.91 -0.68 0.00 0.00 175.30 174.00 1ogy n GLU 646 N 4.50 2.16 0.00 3.54 2.13 0.12 -0.12 120.64 132.96 1ogy n GLU 646 Ca -0.17 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.42 1ogy n GLU 646 Cb 0.51 -2.45 0.00 0.00 0.27 0.00 0.00 31.44 29.77 1ogy n GLU 646 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ogy n GLY 647 N 2.18 2.73 0.13 8.31 0.00 -1.26 -4.71 105.19 112.56 1ogy n GLY 647 Ca 0.11 -0.58 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 1ogy n GLY 647 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ogy n PHE 648 N 0.00 0.70 -3.99 1.61 3.72 0.11 -4.88 117.46 114.73 1ogy n PHE 648 Ca 0.00 0.21 -0.35 0.00 -0.05 0.00 0.00 57.45 57.26 1ogy n PHE 648 Cb 0.00 -1.08 -0.10 0.00 -0.94 0.00 0.00 39.48 37.35 1ogy n PHE 648 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1ogy s ASP 649 N -6.97 5.51 0.13 4.37 3.68 0.82 -4.60 116.67 119.61 1ogy s ASP 649 Ca -0.30 0.02 0.25 0.00 2.13 0.00 0.00 52.55 54.65 1ogy s ASP 649 Cb 0.08 -1.95 0.94 0.00 -1.45 0.00 0.00 42.92 40.54 1ogy s ASP 649 CO 0.63 0.14 1.76 -0.81 0.13 0.00 0.00 175.17 177.03 1ogy n PRO 650 N 3.78 0.14 -0.00 4.34 -0.04 -1.26 -3.11 135.00 138.84 1ogy n PRO 650 Ca -0.16 0.20 0.13 0.00 -0.04 0.00 0.00 63.50 63.62 1ogy n PRO 650 Cb 0.52 -1.69 0.74 0.00 -0.04 0.00 0.00 33.50 33.03 1ogy n PRO 650 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ogy n TYR 651 N -1.94 0.01 -3.61 0.54 4.02 -1.26 -4.62 117.16 110.30 1ogy n TYR 651 Ca 0.05 -0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.55 1ogy n TYR 651 Cb 0.33 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.54 1ogy n TYR 651 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1ogy s VAL 652 N -1.99 5.12 0.32 -0.72 1.01 -1.18 -5.00 120.40 117.96 1ogy s VAL 652 Ca 0.39 0.04 -0.28 0.00 0.00 0.00 0.00 61.98 62.12 1ogy s VAL 652 Cb 0.18 -3.47 -0.10 0.00 0.00 0.00 0.00 36.38 33.00 1ogy s VAL 652 CO 0.30 0.22 1.21 -0.54 0.00 0.00 0.00 175.10 176.29 1ogy s LYS 653 N 1.73 4.41 0.05 2.72 1.02 -1.26 -4.76 119.74 123.65 1ogy s LYS 653 Ca 0.07 2.01 -0.10 0.00 0.02 0.00 0.00 55.97 57.97 1ogy s LYS 653 Cb -0.16 -3.05 -0.02 0.00 -0.52 0.00 0.00 37.83 34.08 1ogy s LYS 653 CO 0.10 -0.06 0.58 -2.30 -0.92 0.00 0.00 175.35 172.74 1ogy n PRO 654 N 0.82 -0.14 -2.75 -1.68 -0.02 -1.26 -2.43 135.00 127.54 1ogy n PRO 654 Ca 0.00 0.57 -0.43 0.00 -2.02 0.00 0.00 63.50 61.62 1ogy n PRO 654 Cb 0.44 -0.84 -0.00 0.00 -0.02 0.00 0.00 33.50 33.07 1ogy n PRO 654 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1ogy s GLY 655 N -2.39 1.95 0.28 -1.23 0.00 -1.26 -4.46 107.32 100.21 1ogy s GLY 655 Ca -0.04 -3.05 0.00 0.00 0.00 0.00 0.00 44.72 41.63 1ogy s GLY 655 CO 0.20 2.40 0.00 -2.21 0.00 0.00 0.00 173.10 173.49 1ogy n GLU 656 N 7.18 0.00 0.00 2.90 2.13 -1.02 -5.08 120.64 126.75 1ogy n GLU 656 Ca 0.41 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.23 1ogy n GLU 656 Cb 0.45 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.16 1ogy n GLU 656 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ogy n GLY 657 N -0.14 1.75 3.22 8.31 0.00 -1.26 -4.90 105.19 112.16 1ogy n GLY 657 Ca 0.00 -0.64 -0.18 0.00 0.00 0.00 0.00 46.02 45.20 1ogy n GLY 657 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ogy s LEU 658 N 0.00 2.37 -0.33 0.99 1.02 -1.26 0.13 118.68 121.61 1ogy s LEU 658 Ca 0.00 -0.76 -0.05 0.00 0.02 0.00 0.00 54.13 53.34 1ogy s LEU 658 Cb 0.00 -0.53 0.19 0.00 0.02 0.00 0.00 46.19 45.87 1ogy s LEU 658 CO 0.00 -0.13 0.92 -0.60 0.02 0.00 0.00 176.35 176.55 1ogy s ARG 659 N -2.45 0.32 -0.76 1.70 3.52 -1.19 -4.99 118.95 115.10 1ogy s ARG 659 Ca 0.06 0.05 -0.25 0.00 -0.13 0.00 0.00 55.73 55.46 1ogy s ARG 659 Cb -0.06 0.08 -0.20 0.00 -1.56 0.00 0.00 34.95 33.21 1ogy s ARG 659 CO 0.03 -0.52 1.88 1.19 -0.81 0.00 0.00 175.30 177.07 1ogy n PHE 660 N 4.48 1.56 0.17 5.12 3.72 -1.23 -4.69 117.46 126.59 1ogy n PHE 660 Ca 0.08 -1.20 0.00 0.00 -0.05 0.00 0.00 57.45 56.28 1ogy n PHE 660 Cb 0.59 -1.87 0.00 0.00 -0.94 0.00 0.00 39.48 37.27 1ogy n PHE 660 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 1ogy n TYR 661 N 11.43 0.00 0.07 1.38 0.18 -1.26 -1.39 117.16 127.56 1ogy n TYR 661 Ca 0.47 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 60.11 1ogy n TYR 661 Cb 0.43 -0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.25 1ogy n TYR 661 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 1ogy h GLY 662 N 0.82 0.21 -3.64 -7.48 0.00 -1.84 -3.44 103.07 87.70 1ogy h GLY 662 Ca 0.00 -0.53 -0.53 0.00 0.00 0.00 0.00 47.33 46.27 1ogy h GLY 662 CO 0.00 0.46 0.00 0.54 0.00 0.00 0.00 176.54 177.54 1ogy s LYS 663 N -2.65 4.03 0.04 4.80 -0.14 -0.49 -4.71 119.74 120.62 1ogy s LYS 663 Ca -0.05 0.59 -0.24 0.00 -1.36 0.00 0.00 55.97 54.91 1ogy s LYS 663 Cb 0.08 -2.76 -0.17 0.00 -1.68 0.00 0.00 37.83 33.29 1ogy s LYS 663 CO 0.85 0.36 1.52 -1.35 -0.76 0.00 0.00 175.35 175.97 1ogy h PRO 664 N 3.06 0.00 0.00 -1.68 0.11 -1.85 -2.57 132.00 129.06 1ogy h PRO 664 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1ogy h PRO 664 Cb 1.18 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ogy h PRO 664 CO 0.66 0.22 0.00 -0.40 -0.21 0.00 0.00 178.00 178.27 1ogy n ASP 665 N -4.98 0.45 -1.16 -2.05 5.75 -1.26 -4.90 116.55 108.40 1ogy n ASP 665 Ca -0.08 0.59 -0.08 0.00 -0.01 0.00 0.00 54.79 55.21 1ogy n ASP 665 Cb 0.13 -0.69 0.01 0.00 -1.03 0.00 0.00 41.12 39.54 1ogy n ASP 665 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ogy n GLY 666 N 0.45 0.25 3.16 6.12 0.00 -0.97 -5.00 105.19 109.20 1ogy n GLY 666 Ca 0.04 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 1ogy n GLY 666 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ogy s ARG 667 N -4.87 1.64 0.23 1.61 0.52 -1.26 -3.53 118.95 113.29 1ogy s ARG 667 Ca 0.09 -0.64 -0.19 0.00 -0.52 0.00 0.00 55.73 54.47 1ogy s ARG 667 Cb -0.04 -1.51 -0.08 0.00 0.52 0.00 0.00 34.95 33.84 1ogy s ARG 667 CO 0.12 0.33 0.72 0.00 0.02 0.00 0.00 175.30 176.49 1ogy s ALA 668 N -0.22 3.40 0.17 2.13 0.00 -0.69 -4.76 121.76 121.79 1ogy s ALA 668 Ca 0.02 0.14 -0.26 0.00 0.00 0.00 0.00 51.96 51.87 1ogy s ALA 668 Cb -0.09 -2.81 -0.08 0.00 0.00 0.00 0.00 23.12 20.14 1ogy s ALA 668 CO 0.01 0.33 0.78 0.08 0.00 0.00 0.00 175.76 176.96 1ogy s VAL 669 N -1.59 4.36 -0.24 0.00 1.01 -0.79 -1.79 120.40 121.36 1ogy s VAL 669 Ca 0.44 1.72 -0.03 0.00 0.00 0.00 0.00 61.98 64.11 1ogy s VAL 669 Cb -0.16 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.08 1ogy s VAL 669 CO 0.20 0.52 -0.04 -0.63 0.00 0.00 0.00 175.10 175.16 1ogy s ILE 670 N -1.12 3.27 -0.15 2.22 1.01 -0.10 -4.82 121.20 121.50 1ogy s ILE 670 Ca 0.36 -0.69 -0.14 0.00 0.00 0.00 0.00 60.65 60.18 1ogy s ILE 670 Cb -0.23 -2.56 -0.05 0.00 0.01 0.00 0.00 42.46 39.63 1ogy s ILE 670 CO 0.26 0.31 0.32 -0.22 0.00 0.00 0.00 174.94 175.62 1ogy s LEU 671 N 1.43 4.25 -0.40 2.97 2.96 -1.26 -1.44 118.68 127.19 1ogy s LEU 671 Ca 0.04 0.55 -0.20 0.00 -0.22 0.00 0.00 54.13 54.30 1ogy s LEU 671 Cb -0.15 -2.42 0.01 0.00 0.50 0.00 0.00 46.19 44.13 1ogy s LEU 671 CO -0.03 0.09 0.62 -0.83 -1.32 0.00 0.00 176.35 174.88 1ogy s GLY 672 N 0.47 1.74 0.05 7.98 0.00 0.73 -4.83 107.32 113.47 1ogy s GLY 672 Ca 0.18 -1.08 0.03 0.00 0.00 0.00 0.00 44.72 43.85 1ogy s GLY 672 CO 0.05 1.48 -0.09 0.54 0.00 0.00 0.00 173.10 175.08 1ogy s VAL 673 N 2.73 0.69 -0.04 1.40 0.11 -1.26 -1.58 120.40 122.45 1ogy s VAL 673 Ca 0.23 -1.20 -0.09 0.00 -2.93 0.00 0.00 61.98 57.99 1ogy s VAL 673 Cb -0.14 -0.80 -0.05 0.00 -1.53 0.00 0.00 36.38 33.86 1ogy s VAL 673 CO 0.17 -0.38 0.26 -2.16 -3.33 0.00 0.00 175.10 169.66 1ogy s PRO 674 N -1.79 3.61 0.53 1.54 0.04 -1.26 -4.99 135.00 132.68 1ogy s PRO 674 Ca -0.06 0.02 -0.22 0.00 0.04 0.00 0.00 61.00 60.78 1ogy s PRO 674 Cb -0.09 -3.15 -0.06 0.00 0.04 0.00 0.00 34.50 31.24 1ogy s PRO 674 CO 0.01 0.70 1.26 0.98 0.04 0.00 0.00 177.00 179.99 1ogy n TYR 675 N 1.57 1.99 -4.18 0.56 9.36 -1.26 -5.01 117.16 120.19 1ogy n TYR 675 Ca -0.15 0.45 -0.11 0.00 3.32 0.00 0.00 57.90 61.41 1ogy n TYR 675 Cb 0.53 -2.33 -0.10 0.00 -0.63 0.00 0.00 39.34 36.82 1ogy n TYR 675 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1ogy s GLU 676 N -2.69 1.05 0.39 2.98 2.02 -1.26 -5.07 118.70 116.12 1ogy s GLU 676 Ca 0.70 -1.52 0.04 0.00 0.02 0.00 0.00 54.97 54.20 1ogy s GLU 676 Cb -0.44 0.21 -0.00 0.00 0.10 0.00 0.00 34.13 33.99 1ogy s GLU 676 CO 0.51 -0.30 0.57 -1.25 0.02 0.00 0.00 175.26 174.81 1ogy s PRO 677 N -4.08 3.07 0.75 0.39 0.04 -1.26 -4.90 135.00 129.01 1ogy s PRO 677 Ca 0.30 -0.77 -0.12 0.00 0.04 0.00 0.00 61.00 60.45 1ogy s PRO 677 Cb 0.07 -2.69 0.05 0.00 0.04 0.00 0.00 34.50 31.97 1ogy s PRO 677 CO 0.06 -0.12 1.12 -1.25 0.04 0.00 0.00 177.00 176.85 1ogy s PRO 678 N -4.37 2.23 0.19 0.56 0.04 -1.26 -4.95 135.00 127.44 1ogy s PRO 678 Ca 0.47 1.37 -0.12 0.00 0.04 0.00 0.00 61.00 62.75 1ogy s PRO 678 Cb -0.10 -1.88 0.18 0.00 0.04 0.00 0.00 34.50 32.75 1ogy s PRO 678 CO 0.34 -1.69 1.75 0.00 0.04 0.00 0.00 177.00 177.45 1ogy h ALA 679 N -0.78 0.64 -3.23 8.56 0.00 -1.98 -3.40 119.26 119.08 1ogy h ALA 679 Ca -0.45 0.06 -0.49 0.00 0.00 0.00 0.00 54.91 54.03 1ogy h ALA 679 Cb 1.25 0.03 -0.37 0.00 0.00 0.00 0.00 17.79 18.69 1ogy h ALA 679 CO 0.51 -0.19 -0.79 -2.00 0.00 0.00 0.00 179.25 176.77 1ogy s GLU 680 N -6.12 1.21 0.25 0.00 2.12 -1.26 -5.12 118.70 109.77 1ogy s GLU 680 Ca -0.13 -0.14 0.09 0.00 0.36 0.00 0.00 54.97 55.16 1ogy s GLU 680 Cb 0.15 -1.35 -0.04 0.00 0.26 0.00 0.00 34.13 33.15 1ogy s GLU 680 CO 0.73 -0.26 -0.01 -1.12 -0.54 0.00 0.00 175.26 174.07 1ogy s SER 681 N 1.71 4.55 0.46 -1.70 0.01 -1.26 -3.96 113.70 113.51 1ogy s SER 681 Ca 0.03 -0.62 -0.25 0.00 1.31 0.00 0.00 55.95 56.43 1ogy s SER 681 Cb -0.13 -0.85 -0.08 0.00 0.21 0.00 0.00 66.02 65.17 1ogy s SER 681 CO -0.06 0.02 1.40 -2.16 0.41 0.00 0.00 173.24 172.85 1ogy s PRO 682 N -3.55 3.63 0.00 12.44 0.04 -1.26 -4.51 135.00 141.78 1ogy s PRO 682 Ca 0.31 2.36 0.00 0.00 0.04 0.00 0.00 61.00 63.71 1ogy s PRO 682 Cb -0.07 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.87 1ogy s PRO 682 CO 0.19 -0.84 0.00 -0.25 0.04 0.00 0.00 177.00 176.14 1ogy n ASP 683 N -0.30 0.28 -0.04 6.66 8.00 0.24 -4.94 116.55 126.45 1ogy n ASP 683 Ca 0.06 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.41 1ogy n ASP 683 Cb 0.42 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.39 1ogy n ASP 683 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1ogy n GLU 684 N 0.00 0.69 -0.03 -1.24 2.13 -1.26 -3.72 120.64 117.21 1ogy n GLU 684 Ca 0.00 0.21 -0.14 0.00 0.66 0.00 0.00 57.16 57.89 1ogy n GLU 684 Cb 0.00 -1.67 -0.11 0.00 0.27 0.00 0.00 31.44 29.94 1ogy n GLU 684 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1ogy h GLU 685 N 0.03 0.10 -3.47 5.31 4.81 -2.00 -3.38 114.58 115.97 1ogy h GLU 685 Ca -0.43 -0.09 -0.71 0.00 -0.13 0.00 0.00 59.36 58.00 1ogy h GLU 685 Cb 2.04 0.02 -0.34 0.00 0.63 0.00 0.00 28.75 31.09 1ogy h GLU 685 CO 0.04 0.77 -0.19 -0.06 -0.73 0.00 0.00 179.01 178.83 1ogy s PHE 686 N -3.49 3.66 -0.54 0.92 0.40 -1.26 -4.74 117.98 112.93 1ogy s PHE 686 Ca -0.16 -2.80 0.26 0.00 -0.60 0.00 0.00 56.93 53.63 1ogy s PHE 686 Cb 0.01 -3.28 0.81 0.00 0.51 0.00 0.00 43.02 41.07 1ogy s PHE 686 CO 0.71 -0.81 1.75 0.78 0.70 0.00 0.00 175.22 178.35 1ogy h GLY 687 N 6.62 0.00 -4.45 4.36 0.00 -1.64 0.70 103.07 108.66 1ogy h GLY 687 Ca 0.08 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.82 1ogy h GLY 687 CO 0.78 0.00 -0.29 -1.36 0.00 0.00 0.00 176.54 175.68 1ogy s PHE 688 N -3.23 3.53 0.00 5.60 0.40 -0.58 -4.77 117.98 118.94 1ogy s PHE 688 Ca 0.08 0.67 -0.24 0.00 -0.60 0.00 0.00 56.93 56.83 1ogy s PHE 688 Cb 0.10 -2.08 -0.05 0.00 0.51 0.00 0.00 43.02 41.50 1ogy s PHE 688 CO 0.56 0.48 0.74 -1.58 0.70 0.00 0.00 175.22 176.12 1ogy s TRP 689 N -1.52 3.68 -0.46 0.36 0.52 0.12 -0.37 118.94 121.26 1ogy s TRP 689 Ca 0.36 1.39 -0.11 0.00 0.02 0.00 0.00 56.10 57.76 1ogy s TRP 689 Cb -0.13 -2.81 0.10 0.00 -1.15 0.00 0.00 33.47 29.48 1ogy s TRP 689 CO 0.21 0.21 0.34 -1.17 0.02 0.00 0.00 176.95 176.56 1ogy s LEU 690 N 0.25 5.55 0.05 2.99 2.96 0.41 -0.64 118.68 130.24 1ogy s LEU 690 Ca 0.38 -1.67 -0.10 0.00 -0.22 0.00 0.00 54.13 52.52 1ogy s LEU 690 Cb -0.19 -2.05 -0.06 0.00 0.50 0.00 0.00 46.19 44.39 1ogy s LEU 690 CO 0.21 -0.65 0.38 -0.69 -1.32 0.00 0.00 176.35 174.28 1ogy s VAL 691 N 1.45 5.12 -0.01 1.68 1.01 0.67 -3.06 120.40 127.26 1ogy s VAL 691 Ca 0.04 0.50 0.03 0.00 0.00 0.00 0.00 61.98 62.55 1ogy s VAL 691 Cb -0.25 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 1ogy s VAL 691 CO 0.02 0.37 -0.11 -0.89 0.00 0.00 0.00 175.10 174.49 1ogy s THR 692 N -1.31 0.89 0.00 3.92 2.01 -1.21 -2.15 115.64 117.79 1ogy s THR 692 Ca 0.30 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 61.79 1ogy s THR 692 Cb -0.14 -0.75 0.00 0.00 0.01 0.00 0.00 72.50 71.62 1ogy s THR 692 CO 0.16 0.23 0.00 0.61 -0.69 0.00 0.00 174.62 174.94 1ogy n GLY 693 N 2.76 2.95 3.51 4.40 0.00 -1.18 -4.67 105.19 112.95 1ogy n GLY 693 Ca -0.14 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 1ogy n GLY 693 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ogy s ARG 694 N 4.92 1.99 -0.01 1.61 0.52 -1.26 -2.87 118.95 123.86 1ogy s ARG 694 Ca 0.00 -2.23 -0.01 0.00 -0.52 0.00 0.00 55.73 52.97 1ogy s ARG 694 Cb 0.00 -0.50 0.01 0.00 0.52 0.00 0.00 34.95 34.98 1ogy s ARG 694 CO 0.00 -0.56 0.02 0.08 0.02 0.00 0.00 175.30 174.87 1ogy s VAL 695 N -3.18 -0.01 0.26 3.52 1.01 -1.26 -4.91 120.40 115.83 1ogy s VAL 695 Ca 0.23 0.03 -0.06 0.00 0.00 0.00 0.00 61.98 62.18 1ogy s VAL 695 Cb 0.01 -0.04 0.42 0.00 0.00 0.00 0.00 36.38 36.77 1ogy s VAL 695 CO 0.16 0.01 1.44 -0.11 0.00 0.00 0.00 175.10 176.61 1ogy n LEU 696 N 3.22 -0.29 0.28 3.92 7.94 -1.26 -1.16 117.00 129.65 1ogy n LEU 696 Ca -0.14 1.59 0.18 0.00 -1.11 0.00 0.00 56.01 56.52 1ogy n LEU 696 Cb 0.59 -0.50 0.76 0.00 0.53 0.00 0.00 43.42 44.79 1ogy n LEU 696 CO 0.25 -1.54 1.02 -0.33 -1.11 0.00 0.00 177.39 175.68 1ogy h GLU 697 N 0.00 0.00 -5.88 1.96 3.07 -1.94 -3.44 114.58 108.35 1ogy h GLU 697 Ca 0.47 0.00 -0.58 0.00 -0.50 0.00 0.00 59.36 58.75 1ogy h GLU 697 Cb 0.77 0.00 -0.30 0.00 -0.84 0.00 0.00 28.75 28.38 1ogy h GLU 697 CO -0.94 0.00 -0.85 -1.01 -1.40 0.00 0.00 179.01 174.82 1ogy s HIS 698 N -3.72 1.74 -0.36 4.33 3.76 -0.31 -4.88 115.29 115.85 1ogy s HIS 698 Ca 0.00 -0.33 -0.14 0.00 -0.15 0.00 0.00 55.06 54.44 1ogy s HIS 698 Cb 0.09 -1.12 -0.01 0.00 1.11 0.00 0.00 32.58 32.65 1ogy s HIS 698 CO 0.52 -0.03 0.27 -0.46 -0.85 0.00 0.00 174.74 174.19 1ogy s TRP 699 N -0.45 3.23 0.00 1.40 -0.11 -1.26 -4.39 118.94 117.35 1ogy s TRP 699 Ca 0.07 -0.29 0.00 0.00 1.22 0.00 0.00 56.10 57.11 1ogy s TRP 699 Cb -0.08 -2.54 0.00 0.00 -1.50 0.00 0.00 33.47 29.36 1ogy s TRP 699 CO -0.01 -0.43 0.00 0.72 -4.62 0.00 0.00 176.95 172.61 1ogy n HIS 700 N 5.16 0.00 0.75 5.86 8.25 -1.26 -0.39 115.22 133.60 1ogy n HIS 700 Ca -0.12 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.44 1ogy n HIS 700 Cb 0.49 0.00 0.46 0.00 1.12 0.00 0.00 29.99 32.06 1ogy n HIS 700 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1ogy n SER 701 N 5.76 0.00 -0.03 0.41 7.64 -1.26 -2.96 113.62 123.17 1ogy n SER 701 Ca 0.00 0.44 -0.00 0.00 1.01 0.00 0.00 58.87 60.32 1ogy n SER 701 Cb 0.00 -0.48 -0.00 0.00 -1.01 0.00 0.00 64.21 62.72 1ogy n SER 701 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ogy n GLY 702 N 0.64 0.24 0.31 0.23 0.00 0.48 -4.58 105.19 102.51 1ogy n GLY 702 Ca 0.06 -0.01 0.20 0.00 0.00 0.00 0.00 46.02 46.26 1ogy n GLY 702 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ogy h SER 703 N 0.00 0.00 0.00 1.61 4.64 -1.87 0.40 113.55 118.33 1ogy h SER 703 Ca -0.01 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.08 1ogy h SER 703 Cb 0.62 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.67 1ogy h SER 703 CO 0.01 0.02 -1.71 0.23 -0.87 0.00 0.00 176.83 174.50 1ogy n MET 704 N -3.28 0.34 0.05 4.77 2.00 -1.26 -4.57 117.12 115.17 1ogy n MET 704 Ca -0.02 0.15 -0.04 0.00 0.00 0.00 0.00 57.70 57.78 1ogy n MET 704 Cb 0.13 -1.07 0.17 0.00 0.00 0.00 0.00 33.22 32.45 1ogy n MET 704 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 1ogy h THR 705 N -0.58 1.31 0.00 2.03 1.35 -1.84 -1.80 112.91 113.39 1ogy h THR 705 Ca -0.35 -1.59 0.00 0.00 -0.55 0.00 0.00 66.41 63.92 1ogy h THR 705 Cb 1.25 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 1ogy h THR 705 CO -0.21 0.48 0.00 0.18 -0.25 0.00 0.00 175.52 175.72 1ogy n LEU 706 N -4.01 0.00 -0.01 3.87 4.77 0.14 -1.50 117.00 120.27 1ogy n LEU 706 Ca -0.02 0.08 0.08 0.00 -0.03 0.00 0.00 56.01 56.12 1ogy n LEU 706 Cb 0.51 -0.08 -0.11 0.00 -2.33 0.00 0.00 43.42 41.40 1ogy n LEU 706 CO 0.43 -0.05 -0.61 0.54 -1.33 0.00 0.00 177.39 176.38 1ogy n ARG 707 N -1.08 0.65 -2.69 3.23 1.74 -0.69 -4.75 116.66 113.07 1ogy n ARG 707 Ca 0.08 -0.12 -0.43 0.00 -0.77 0.00 0.00 57.85 56.61 1ogy n ARG 707 Cb 0.06 -1.34 -0.03 0.00 -1.02 0.00 0.00 32.46 30.13 1ogy n ARG 707 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1ogy s TRP 708 N -2.97 3.12 0.17 -1.55 0.51 -0.56 -4.85 118.94 112.81 1ogy s TRP 708 Ca -0.04 1.06 -0.21 0.00 -2.12 0.00 0.00 56.10 54.79 1ogy s TRP 708 Cb 0.10 -3.70 0.10 0.00 -0.81 0.00 0.00 33.47 29.16 1ogy s TRP 708 CO 0.62 -0.79 1.61 -1.35 -0.51 0.00 0.00 176.95 176.53 1ogy h PRO 709 N 8.24 -0.17 0.00 4.98 0.11 -1.88 -1.48 132.00 141.79 1ogy h PRO 709 Ca -0.21 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.89 1ogy h PRO 709 Cb 1.07 0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1ogy h PRO 709 CO 1.02 -0.12 -0.09 1.05 -0.21 0.00 0.00 178.00 179.65 1ogy h GLU 710 N -0.18 0.00 0.04 1.05 9.09 -1.93 0.12 114.58 122.77 1ogy h GLU 710 Ca 0.20 0.00 -0.24 0.00 0.05 0.00 0.00 59.36 59.37 1ogy h GLU 710 Cb 0.51 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.63 1ogy h GLU 710 CO -0.56 0.09 -0.97 -0.07 0.05 0.00 0.00 179.01 177.55 1ogy h LEU 711 N 0.00 0.79 0.72 3.06 3.38 -1.67 -1.39 115.31 120.20 1ogy h LEU 711 Ca -0.00 -0.78 -0.04 0.00 0.09 0.00 0.00 57.88 57.16 1ogy h LEU 711 Cb 0.17 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.68 1ogy h LEU 711 CO 0.01 1.47 -0.35 0.22 0.09 0.00 0.00 178.44 179.89 1ogy h TYR 712 N 0.20 -0.90 -0.87 1.13 3.20 -0.71 -2.42 116.97 116.61 1ogy h TYR 712 Ca -0.13 -0.02 0.21 0.00 3.14 0.00 0.00 58.73 61.93 1ogy h TYR 712 Cb 1.66 0.30 -0.13 0.00 1.54 0.00 0.00 36.73 40.10 1ogy h TYR 712 CO 0.12 -0.54 0.33 0.87 -1.64 0.00 0.00 178.16 177.30 1ogy h LYS 713 N -1.06 0.33 -0.04 1.82 1.57 -0.88 0.53 116.57 118.84 1ogy h LYS 713 Ca -0.10 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1ogy h LYS 713 Cb 0.76 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 1ogy h LYS 713 CO 0.16 0.22 0.06 0.00 -0.57 0.00 0.00 179.45 179.32 1ogy h ALA 714 N 1.71 1.48 -0.01 3.86 0.00 -0.76 -3.34 119.26 122.19 1ogy h ALA 714 Ca 0.53 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.31 1ogy h ALA 714 Cb 1.01 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.67 1ogy h ALA 714 CO -0.55 -0.08 -0.23 0.34 0.00 0.00 0.00 179.25 178.73 1ogy n PHE 715 N -3.65 -1.71 -0.22 0.00 -0.00 0.06 -5.07 117.46 106.87 1ogy n PHE 715 Ca -0.02 -1.13 0.02 0.00 -0.00 0.00 0.00 57.45 56.33 1ogy n PHE 715 Cb 0.14 1.29 0.12 0.00 -0.00 0.00 0.00 39.48 41.03 1ogy n PHE 715 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 1ogy h PRO 716 N 3.53 0.14 -4.38 -7.13 0.13 -0.19 -3.45 132.00 120.66 1ogy h PRO 716 Ca -0.19 -0.01 -0.19 0.00 -0.87 0.00 0.00 66.00 64.74 1ogy h PRO 716 Cb 1.13 -0.03 -0.14 0.00 0.13 0.00 0.00 31.00 32.09 1ogy h PRO 716 CO 0.02 0.09 -0.57 0.20 -0.23 0.00 0.00 178.00 177.51 1ogy s GLY 717 N -3.46 1.06 0.89 1.56 0.00 -1.26 -5.00 107.32 101.11 1ogy s GLY 717 Ca -0.13 -1.45 -0.11 0.00 0.00 0.00 0.00 44.72 43.03 1ogy s GLY 717 CO 0.74 -1.28 1.12 0.00 0.00 0.00 0.00 173.10 173.68 1ogy s ALA 718 N -4.08 1.54 0.04 3.20 0.00 -1.26 -5.06 121.76 116.14 1ogy s ALA 718 Ca 0.28 0.38 -0.14 0.00 0.00 0.00 0.00 51.96 52.49 1ogy s ALA 718 Cb 0.06 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 19.84 1ogy s ALA 718 CO 0.05 -2.54 0.30 0.08 0.00 0.00 0.00 175.76 173.66 1ogy s VAL 719 N -2.73 0.08 -0.31 0.00 1.01 -1.26 -4.42 120.40 112.77 1ogy s VAL 719 Ca 0.65 -0.67 -0.13 0.00 0.00 0.00 0.00 61.98 61.83 1ogy s VAL 719 Cb -0.21 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 1ogy s VAL 719 CO 0.58 -0.37 0.27 0.00 0.00 0.00 0.00 175.10 175.59 1ogy s PHE 721 N 1.86 3.52 0.23 0.00 0.40 -0.22 -0.00 117.98 123.77 1ogy s PHE 721 Ca 0.09 1.30 0.00 0.00 -0.60 0.00 0.00 56.93 57.72 1ogy s PHE 721 Cb -0.17 -2.92 -0.05 0.00 0.51 0.00 0.00 43.02 40.40 1ogy s PHE 721 CO 0.11 -0.05 0.11 1.41 0.70 0.00 0.00 175.22 177.49 1ogy s MET 722 N 1.36 1.32 0.30 0.44 1.75 -1.06 -2.12 119.30 121.30 1ogy s MET 722 Ca 0.39 -1.70 -0.28 0.00 -1.25 0.00 0.00 55.69 52.85 1ogy s MET 722 Cb -0.18 -0.05 -0.09 0.00 2.84 0.00 0.00 34.83 37.35 1ogy s MET 722 CO 0.17 -0.33 1.02 -1.58 -0.65 0.00 0.00 175.02 173.65 1ogy s HIS 723 N -3.92 3.64 0.56 4.11 2.46 -1.26 -4.51 115.29 116.37 1ogy s HIS 723 Ca 0.38 1.76 0.25 0.00 0.47 0.00 0.00 55.06 57.92 1ogy s HIS 723 Cb 0.07 -3.10 1.55 0.00 -0.13 0.00 0.00 32.58 30.98 1ogy s HIS 723 CO 0.13 -0.16 2.13 -1.00 -2.47 0.00 0.00 174.74 173.37 1ogy h PRO 724 N 3.48 0.00 0.02 2.88 0.13 -1.96 -2.49 132.00 134.06 1ogy h PRO 724 Ca -0.47 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.34 1ogy h PRO 724 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 1ogy h PRO 724 CO 0.66 0.00 -1.91 -1.91 -0.23 0.00 0.00 178.00 174.61 1ogy n GLU 725 N -4.09 0.66 0.03 0.86 2.13 -1.26 -2.99 120.64 115.98 1ogy n GLU 725 Ca 0.01 0.24 0.04 0.00 0.66 0.00 0.00 57.16 58.10 1ogy n GLU 725 Cb 0.25 -1.72 0.20 0.00 0.27 0.00 0.00 31.44 30.43 1ogy n GLU 725 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1ogy n ASP 726 N -3.08 0.10 -0.10 4.31 9.92 -0.96 -1.98 116.55 124.75 1ogy n ASP 726 Ca -0.23 0.54 -0.16 0.00 -0.53 0.00 0.00 54.79 54.40 1ogy n ASP 726 Cb 1.07 -0.55 -0.06 0.00 -0.64 0.00 0.00 41.12 40.93 1ogy n ASP 726 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ogy n ALA 727 N -1.55 0.82 -0.29 2.24 0.00 -1.04 -3.87 120.51 116.81 1ogy n ALA 727 Ca 0.01 -0.70 -0.01 0.00 0.00 0.00 0.00 53.44 52.74 1ogy n ALA 727 Cb 0.08 -0.09 0.05 0.00 0.00 0.00 0.00 19.45 19.49 1ogy n ALA 727 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ogy h ARG 728 N -1.00 -0.05 -0.34 0.00 3.08 -1.39 0.54 114.38 115.21 1ogy h ARG 728 Ca -0.25 0.00 0.07 0.00 0.07 0.00 0.00 59.98 59.87 1ogy h ARG 728 Cb 1.09 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 31.07 1ogy h ARG 728 CO -0.15 -0.04 -0.25 0.66 -1.07 0.00 0.00 179.97 179.12 1ogy h SER 729 N -0.06 -0.84 0.00 7.04 4.64 -1.60 0.29 113.55 123.03 1ogy h SER 729 Ca 0.33 0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 1ogy h SER 729 Cb 0.59 0.41 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1ogy h SER 729 CO -0.85 -0.28 0.00 0.54 -0.87 0.00 0.00 176.83 175.37 1ogy n ARG 730 N -5.39 0.80 -1.92 4.77 1.74 -0.39 -4.82 116.66 111.45 1ogy n ARG 730 Ca 0.01 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.01 1ogy n ARG 730 Cb 0.31 -1.17 -0.01 0.00 -1.02 0.00 0.00 32.46 30.56 1ogy n ARG 730 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ogy n GLY 731 N 0.40 0.28 3.75 -0.13 0.00 0.10 -5.00 105.19 104.59 1ogy n GLY 731 Ca 0.07 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 1ogy n GLY 731 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ogy s LEU 732 N -2.23 3.74 0.00 0.99 1.02 0.04 -4.99 118.68 117.26 1ogy s LEU 732 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 54.13 54.21 1ogy s LEU 732 Cb 0.00 -2.23 -0.00 0.00 0.02 0.00 0.00 46.19 43.98 1ogy s LEU 732 CO 0.00 0.25 0.02 0.59 0.02 0.00 0.00 176.35 177.23 1ogy n ASN 733 N 1.08 3.11 -4.70 2.29 5.03 -1.26 -3.11 115.26 117.68 1ogy n ASN 733 Ca -0.12 -3.11 -0.42 0.00 0.87 0.00 0.00 54.58 51.80 1ogy n ASN 733 Cb 0.52 0.41 -0.03 0.00 -1.02 0.00 0.00 39.78 39.66 1ogy n ASN 733 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 1ogy s ARG 734 N -3.71 4.40 0.00 3.52 3.52 -1.26 -2.70 118.95 122.71 1ogy s ARG 734 Ca 0.02 1.77 0.00 0.00 -0.13 0.00 0.00 55.73 57.39 1ogy s ARG 734 Cb 0.00 -3.41 0.00 0.00 -1.56 0.00 0.00 34.95 29.98 1ogy s ARG 734 CO 0.02 -0.33 0.00 0.41 -0.81 0.00 0.00 175.30 174.58 1ogy n GLY 735 N 3.29 1.26 3.76 8.12 0.00 -1.01 -5.00 105.19 115.62 1ogy n GLY 735 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1ogy n GLY 735 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ogy s SER 736 N -1.74 5.61 -0.62 1.61 0.01 -1.10 -4.59 113.70 112.88 1ogy s SER 736 Ca 0.00 2.84 -0.24 0.00 1.31 0.00 0.00 55.95 59.86 1ogy s SER 736 Cb 0.00 -2.64 0.05 0.00 0.21 0.00 0.00 66.02 63.64 1ogy s SER 736 CO 0.00 -1.35 1.00 -0.70 0.41 0.00 0.00 173.24 172.60 1ogy s GLU 737 N -2.66 3.23 0.31 12.44 2.12 -1.26 -1.05 118.70 131.84 1ogy s GLU 737 Ca 0.66 -0.46 0.06 0.00 0.36 0.00 0.00 54.97 55.59 1ogy s GLU 737 Cb -0.42 -4.13 -0.01 0.00 0.26 0.00 0.00 34.13 29.82 1ogy s GLU 737 CO 0.52 -1.70 0.43 0.14 -0.54 0.00 0.00 175.26 174.11 1ogy s VAL 738 N 4.25 4.34 -0.27 3.70 -7.23 -0.70 -4.48 120.40 120.01 1ogy s VAL 738 Ca 0.28 -1.01 0.01 0.00 -1.81 0.00 0.00 61.98 59.45 1ogy s VAL 738 Cb -0.13 -3.51 0.05 0.00 0.56 0.00 0.00 36.38 33.35 1ogy s VAL 738 CO 0.15 -0.20 -0.06 -0.13 -0.31 0.00 0.00 175.10 174.55 1ogy s ARG 739 N -4.12 2.37 -0.35 4.82 0.52 0.23 -2.47 118.95 119.96 1ogy s ARG 739 Ca 0.42 -1.28 -0.24 0.00 -0.52 0.00 0.00 55.73 54.11 1ogy s ARG 739 Cb -0.09 -3.01 0.01 0.00 0.52 0.00 0.00 34.95 32.37 1ogy s ARG 739 CO 0.30 -0.57 0.83 0.08 0.02 0.00 0.00 175.30 175.96 1ogy s VAL 740 N 1.18 4.71 0.03 3.52 1.01 -0.47 -2.86 120.40 127.52 1ogy s VAL 740 Ca -0.07 1.07 0.08 0.00 0.00 0.00 0.00 61.98 63.07 1ogy s VAL 740 Cb -0.20 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 1ogy s VAL 740 CO -0.03 -0.40 -0.24 -0.63 0.00 0.00 0.00 175.10 173.79 1ogy s ILE 741 N 3.16 2.29 0.31 2.22 1.01 0.17 -1.75 121.20 128.61 1ogy s ILE 741 Ca 0.34 -1.26 0.04 0.00 0.00 0.00 0.00 60.65 59.77 1ogy s ILE 741 Cb -0.13 -1.88 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 1ogy s ILE 741 CO 0.16 0.42 0.20 -0.44 0.00 0.00 0.00 174.94 175.28 1ogy s SER 742 N -1.11 1.56 0.10 3.58 0.01 0.39 0.48 113.70 118.71 1ogy s SER 742 Ca 0.12 -1.64 0.17 0.00 1.31 0.00 0.00 55.95 55.91 1ogy s SER 742 Cb -0.10 0.47 0.72 0.00 0.21 0.00 0.00 66.02 67.33 1ogy s SER 742 CO 0.02 -0.96 1.52 0.54 0.41 0.00 0.00 173.24 174.77 1ogy n ARG 743 N -0.60 0.07 -0.05 12.44 1.74 -1.26 -3.15 116.66 125.85 1ogy n ARG 743 Ca 0.03 0.34 -0.04 0.00 -0.77 0.00 0.00 57.85 57.41 1ogy n ARG 743 Cb 0.64 -1.65 -0.10 0.00 -1.02 0.00 0.00 32.46 30.33 1ogy n ARG 743 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ogy n ARG 744 N -1.78 1.60 -4.02 5.56 1.74 -1.26 -5.12 116.66 113.37 1ogy n ARG 744 Ca 0.03 -0.03 0.04 0.00 -0.77 0.00 0.00 57.85 57.12 1ogy n ARG 744 Cb 0.17 -1.34 0.01 0.00 -1.02 0.00 0.00 32.46 30.29 1ogy n ARG 744 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1ogy s GLY 745 N -4.43 -0.17 0.08 -0.13 0.00 -1.19 -4.76 107.32 96.72 1ogy s GLY 745 Ca -0.06 0.09 0.02 0.00 0.00 0.00 0.00 44.72 44.77 1ogy s GLY 745 CO 0.55 6.47 -0.07 -0.54 0.00 0.00 0.00 173.10 179.50 1ogy s GLU 746 N -2.01 0.72 0.10 2.90 2.02 -1.26 -0.46 118.70 120.72 1ogy s GLU 746 Ca 0.31 -1.11 -0.01 0.00 0.02 0.00 0.00 54.97 54.19 1ogy s GLU 746 Cb -0.00 -0.27 -0.04 0.00 0.10 0.00 0.00 34.13 33.92 1ogy s GLU 746 CO -0.02 0.02 0.03 0.42 0.02 0.00 0.00 175.26 175.73 1ogy s ILE 747 N -2.69 0.14 -0.24 -1.63 1.01 -0.72 -4.90 121.20 112.18 1ogy s ILE 747 Ca 0.03 -1.88 0.02 0.00 0.00 0.00 0.00 60.65 58.82 1ogy s ILE 747 Cb -0.01 -1.86 0.06 0.00 0.01 0.00 0.00 42.46 40.65 1ogy s ILE 747 CO -0.02 -0.65 -0.09 -0.13 0.00 0.00 0.00 174.94 174.05 1ogy s ARG 748 N -4.00 2.02 0.33 2.79 0.52 -1.25 -1.37 118.95 117.98 1ogy s ARG 748 Ca 0.18 -1.13 0.05 0.00 -0.52 0.00 0.00 55.73 54.31 1ogy s ARG 748 Cb 0.08 -2.70 -0.07 0.00 0.52 0.00 0.00 34.95 32.78 1ogy s ARG 748 CO -0.02 -0.55 0.01 0.95 0.02 0.00 0.00 175.30 175.71 1ogy s THR 749 N 1.25 1.50 0.12 0.02 -4.23 -1.03 -4.90 115.64 108.38 1ogy s THR 749 Ca -0.06 -2.04 0.03 0.00 -1.18 0.00 0.00 61.69 58.43 1ogy s THR 749 Cb -0.19 -2.73 -0.04 0.00 1.34 0.00 0.00 72.50 70.89 1ogy s THR 749 CO -0.06 -0.10 0.19 -0.13 -0.54 0.00 0.00 174.62 173.99 1ogy s ARG 750 N -3.80 3.21 0.50 3.99 0.52 -1.26 -1.72 118.95 120.39 1ogy s ARG 750 Ca 0.34 -0.65 -0.20 0.00 -0.52 0.00 0.00 55.73 54.70 1ogy s ARG 750 Cb 0.07 -2.86 -0.07 0.00 0.52 0.00 0.00 34.95 32.61 1ogy s ARG 750 CO 0.15 0.54 1.08 -1.17 0.02 0.00 0.00 175.30 175.92 1ogy s LEU 751 N -2.89 3.83 -0.19 2.53 2.96 -0.22 -0.95 118.68 123.76 1ogy s LEU 751 Ca 0.33 2.05 -0.04 0.00 -0.22 0.00 0.00 54.13 56.25 1ogy s LEU 751 Cb -0.11 -4.53 0.09 0.00 0.50 0.00 0.00 46.19 42.14 1ogy s LEU 751 CO 0.26 -0.94 0.27 -0.70 -1.32 0.00 0.00 176.35 173.91 1ogy s GLU 752 N -3.18 0.21 0.17 1.98 2.12 1.00 -2.39 118.70 118.60 1ogy s GLU 752 Ca 0.69 0.44 0.09 0.00 0.36 0.00 0.00 54.97 56.55 1ogy s GLU 752 Cb -0.20 -0.69 -0.04 0.00 0.26 0.00 0.00 34.13 33.45 1ogy s GLU 752 CO 0.24 -0.53 -0.13 -0.08 -0.54 0.00 0.00 175.26 174.21 1ogy s THR 753 N 2.40 3.01 -0.28 -1.70 -1.32 -1.26 -2.55 115.64 113.93 1ogy s THR 753 Ca 0.06 -1.66 0.00 0.00 -1.21 0.00 0.00 61.69 58.88 1ogy s THR 753 Cb -0.14 -2.46 0.00 0.00 -1.51 0.00 0.00 72.50 68.39 1ogy s THR 753 CO -0.12 -0.06 0.00 0.54 -2.21 0.00 0.00 174.62 172.77 1ogy n ARG 754 N 0.25 -0.20 -0.12 7.08 1.74 -1.26 -4.97 116.66 119.18 1ogy n ARG 754 Ca -0.12 0.49 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 1ogy n ARG 754 Cb 0.55 -4.12 0.00 0.00 -1.02 0.00 0.00 32.46 27.87 1ogy n ARG 754 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ogy n GLY 755 N -2.28 0.72 0.25 -0.13 0.00 -1.26 -5.01 105.19 97.48 1ogy n GLY 755 Ca -0.03 -1.88 -0.12 0.00 0.00 0.00 0.00 46.02 44.00 1ogy n GLY 755 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ogy h ARG 756 N 0.00 0.87 -5.78 1.61 0.11 -1.96 -3.41 114.38 105.82 1ogy h ARG 756 Ca 0.00 -0.37 -0.61 0.00 0.10 0.00 0.00 59.98 59.10 1ogy h ARG 756 Cb 0.00 -0.03 -0.12 0.00 1.11 0.00 0.00 29.97 30.93 1ogy h ARG 756 CO 0.00 1.01 0.37 -0.80 0.10 0.00 0.00 179.97 180.65 1ogy s ASN 757 N -6.56 6.52 -0.75 0.08 0.01 -1.26 -4.36 114.94 108.61 1ogy s ASN 757 Ca -0.12 0.27 -0.17 0.00 -0.71 0.00 0.00 52.86 52.13 1ogy s ASN 757 Cb 0.11 -2.39 0.15 0.00 0.41 0.00 0.00 41.25 39.52 1ogy s ASN 757 CO 0.84 -0.76 0.83 -0.13 -1.51 0.00 0.00 177.10 176.37 1ogy s ARG 758 N 3.13 3.36 0.54 -0.60 0.52 0.14 -4.79 118.95 121.25 1ogy s ARG 758 Ca 0.31 -1.81 -0.20 0.00 -0.52 0.00 0.00 55.73 53.51 1ogy s ARG 758 Cb -0.13 -4.49 -0.05 0.00 0.52 0.00 0.00 34.95 30.80 1ogy s ARG 758 CO 0.18 -1.52 1.18 -1.64 0.02 0.00 0.00 175.30 173.52 1ogy s MET 759 N 1.85 3.32 0.45 3.54 -1.94 -1.26 -2.37 119.30 122.89 1ogy s MET 759 Ca 0.19 1.76 -0.04 0.00 -1.71 0.00 0.00 55.69 55.89 1ogy s MET 759 Cb -0.15 -2.10 -0.04 0.00 2.01 0.00 0.00 34.83 34.55 1ogy s MET 759 CO -0.03 -0.91 0.74 -2.14 -0.01 0.00 0.00 175.02 172.67 1ogy s PRO 760 N -3.13 3.54 0.19 2.03 0.02 -1.26 -4.56 135.00 131.84 1ogy s PRO 760 Ca 0.72 0.11 -0.32 0.00 0.02 0.00 0.00 61.00 61.53 1ogy s PRO 760 Cb -0.28 -2.43 -0.11 0.00 0.02 0.00 0.00 34.50 31.69 1ogy s PRO 760 CO 0.32 -0.13 1.72 1.03 -0.33 0.00 0.00 177.00 179.61 1ogy s ARG 761 N -4.60 4.14 0.00 5.54 0.52 -1.26 -1.69 118.95 121.59 1ogy s ARG 761 Ca 0.46 2.57 0.00 0.00 -0.52 0.00 0.00 55.73 58.24 1ogy s ARG 761 Cb -0.10 -3.17 0.00 0.00 0.52 0.00 0.00 34.95 32.20 1ogy s ARG 761 CO 0.42 -0.75 0.00 0.41 0.02 0.00 0.00 175.30 175.41 1ogy n GLY 762 N 3.99 0.66 3.26 -3.53 0.00 -1.26 -5.06 105.19 103.25 1ogy n GLY 762 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1ogy n GLY 762 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ogy s VAL 763 N -2.38 2.10 0.03 1.61 1.01 -0.68 0.10 120.40 122.19 1ogy s VAL 763 Ca 0.00 -1.03 0.06 0.00 0.00 0.00 0.00 61.98 61.00 1ogy s VAL 763 Cb 0.00 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 1ogy s VAL 763 CO 0.00 0.57 -0.18 -0.69 0.00 0.00 0.00 175.10 174.80 1ogy s VAL 764 N 0.01 1.40 -0.08 2.92 1.01 0.19 -4.38 120.40 121.46 1ogy s VAL 764 Ca -0.09 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 60.90 1ogy s VAL 764 Cb -0.15 -1.22 0.01 0.00 0.00 0.00 0.00 36.38 35.02 1ogy s VAL 764 CO 0.05 0.18 -0.13 0.12 0.00 0.00 0.00 175.10 175.32 1ogy s PHE 765 N -0.72 1.61 -0.08 5.22 5.36 -0.90 -0.24 117.98 128.23 1ogy s PHE 765 Ca 0.05 -0.66 0.01 0.00 -0.96 0.00 0.00 56.93 55.37 1ogy s PHE 765 Cb -0.08 -1.19 0.02 0.00 -0.34 0.00 0.00 43.02 41.44 1ogy s PHE 765 CO 0.01 -0.35 -0.08 0.14 -1.46 0.00 0.00 175.22 173.48 1ogy s VAL 766 N 0.83 0.92 0.49 3.12 -7.23 -0.91 -1.06 120.40 116.57 1ogy s VAL 766 Ca -0.11 -0.29 -0.20 0.00 -1.81 0.00 0.00 61.98 59.58 1ogy s VAL 766 Cb -0.15 -0.92 -0.08 0.00 0.56 0.00 0.00 36.38 35.79 1ogy s VAL 766 CO 0.02 0.33 1.03 -2.16 -0.31 0.00 0.00 175.10 174.00 1ogy s PRO 767 N 1.25 3.81 0.00 4.82 0.04 -1.26 -3.13 135.00 140.52 1ogy s PRO 767 Ca -0.04 1.29 0.23 0.00 0.04 0.00 0.00 61.00 62.52 1ogy s PRO 767 Cb -0.14 -2.10 0.56 0.00 0.04 0.00 0.00 34.50 32.86 1ogy s PRO 767 CO -0.03 -0.42 1.48 -2.67 0.04 0.00 0.00 177.00 175.41 1ogy n TRP 768 N -1.08 0.80 0.33 0.56 4.27 -1.14 -4.61 117.44 116.57 1ogy n TRP 768 Ca 0.09 -0.41 0.22 0.00 -3.89 0.00 0.00 57.50 53.51 1ogy n TRP 768 Cb 0.53 -0.00 1.13 0.00 -1.36 0.00 0.00 31.31 31.61 1ogy n TRP 768 CO 0.00 0.00 0.00 0.27 -2.29 0.00 0.00 177.69 175.67 1ogy h PHE 769 N 4.31 0.00 -3.60 -2.67 -0.00 -1.83 -3.43 116.94 109.72 1ogy h PHE 769 Ca 0.00 0.00 -0.63 0.00 -0.00 0.00 0.00 57.97 57.34 1ogy h PHE 769 Cb 0.98 0.00 -0.13 0.00 -0.00 0.00 0.00 35.95 36.80 1ogy h PHE 769 CO 0.40 0.00 0.30 0.34 -0.00 0.00 0.00 178.31 179.35 1ogy s ASP 770 N -5.21 6.42 0.50 -0.68 3.68 -1.26 -3.79 116.67 116.34 1ogy s ASP 770 Ca -0.04 -0.04 0.33 0.00 2.13 0.00 0.00 52.55 54.93 1ogy s ASP 770 Cb 0.12 -2.37 1.49 0.00 -1.45 0.00 0.00 42.92 40.71 1ogy s ASP 770 CO 0.43 -0.83 1.99 0.00 0.13 0.00 0.00 175.17 176.88 1ogy h ALA 771 N 8.83 1.00 -0.08 3.66 0.00 -1.83 0.02 119.26 130.86 1ogy h ALA 771 Ca -0.25 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 1ogy h ALA 771 Cb 1.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1ogy h ALA 771 CO 0.93 0.00 -0.68 0.66 0.00 0.00 0.00 179.25 180.16 1ogy h SER 772 N 0.00 0.42 -3.00 0.00 4.64 -1.97 -3.35 113.55 110.29 1ogy h SER 772 Ca 0.00 -0.26 -0.72 0.00 -0.47 0.00 0.00 61.79 60.33 1ogy h SER 772 Cb 0.35 -0.12 -0.34 0.00 -0.31 0.00 0.00 62.40 61.98 1ogy h SER 772 CO 0.00 0.98 0.11 0.00 -0.87 0.00 0.00 176.83 177.05 1ogy n GLN 773 N -3.85 3.24 -2.12 4.77 6.02 -0.01 -4.97 117.38 120.46 1ogy n GLN 773 Ca -0.04 -4.54 -0.29 0.00 -0.01 0.00 0.00 57.00 52.12 1ogy n GLN 773 Cb 0.68 -2.42 -0.05 0.00 1.02 0.00 0.00 30.24 29.46 1ogy n GLN 773 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1ogy s LEU 774 N -2.00 3.17 0.56 1.08 1.43 -1.24 -4.68 118.68 116.99 1ogy s LEU 774 Ca 0.31 -1.40 0.28 0.00 -1.03 0.00 0.00 54.13 52.29 1ogy s LEU 774 Cb 0.01 -2.58 1.64 0.00 0.03 0.00 0.00 46.19 45.29 1ogy s LEU 774 CO -0.03 -2.76 2.18 0.40 0.23 0.00 0.00 176.35 176.36 1ogy h ILE 775 N 6.50 0.58 0.00 -0.59 2.04 -1.89 -1.91 117.51 122.24 1ogy h ILE 775 Ca 0.20 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1ogy h ILE 775 Cb 0.96 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1ogy h ILE 775 CO 1.25 0.05 0.00 0.59 0.00 0.00 0.00 178.15 180.04 1ogy n ASN 776 N -3.81 0.00 0.09 1.72 3.02 -1.26 0.15 115.26 115.17 1ogy n ASN 776 Ca -0.03 -0.01 -0.13 0.00 -0.03 0.00 0.00 54.58 54.38 1ogy n ASN 776 Cb 0.15 -0.16 -0.11 0.00 -0.61 0.00 0.00 39.78 39.05 1ogy n ASN 776 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1ogy h LYS 777 N 0.00 0.21 0.00 3.52 1.57 -1.67 -0.52 116.57 119.68 1ogy h LYS 777 Ca 0.00 -0.33 -0.11 0.00 -1.87 0.00 0.00 60.65 58.34 1ogy h LYS 777 Cb 0.04 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1ogy h LYS 777 CO 0.00 1.13 -0.54 0.28 -0.57 0.00 0.00 179.45 179.75 1ogy h VAL 778 N 0.07 0.98 -4.02 0.50 2.07 -0.47 -3.29 116.25 112.09 1ogy h VAL 778 Ca -0.09 -2.23 -0.50 0.00 0.82 0.00 0.00 66.70 64.70 1ogy h VAL 778 Cb 1.83 2.38 0.06 0.00 -1.52 0.00 0.00 31.29 34.04 1ogy h VAL 778 CO 0.18 0.53 0.46 -0.89 0.02 0.00 0.00 177.57 177.87 1ogy s THR 779 N -3.06 3.21 -0.10 2.57 2.01 -0.99 -4.66 115.64 114.62 1ogy s THR 779 Ca 0.03 0.87 -0.17 0.00 0.31 0.00 0.00 61.69 62.73 1ogy s THR 779 Cb 0.09 -3.42 -0.05 0.00 0.01 0.00 0.00 72.50 69.13 1ogy s THR 779 CO 0.74 -0.05 0.44 -0.22 -0.69 0.00 0.00 174.62 174.84 1ogy s LEU 780 N -3.17 4.31 0.00 4.42 2.96 -1.26 -3.10 118.68 122.84 1ogy s LEU 780 Ca 0.65 0.81 0.00 0.00 -0.22 0.00 0.00 54.13 55.37 1ogy s LEU 780 Cb -0.26 -2.63 0.00 0.00 0.50 0.00 0.00 46.19 43.80 1ogy s LEU 780 CO 0.32 0.08 0.28 -0.67 -1.32 0.00 0.00 176.35 175.04 1ogy n ASP 781 N 3.26 0.00 -4.77 3.68 -0.08 -1.26 -4.62 116.55 112.76 1ogy n ASP 781 Ca -0.09 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.82 1ogy n ASP 781 Cb 0.52 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.97 1ogy n ASP 781 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ogy s ALA 782 N -1.61 2.91 0.37 -1.67 0.00 -1.26 -4.78 121.76 115.71 1ogy s ALA 782 Ca 0.00 0.92 0.03 0.00 0.00 0.00 0.00 51.96 52.92 1ogy s ALA 782 Cb 0.00 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 1ogy s ALA 782 CO 0.00 -0.70 0.09 -0.80 0.00 0.00 0.00 175.76 174.35 1ogy s ASN 783 N -1.44 2.58 -0.46 0.00 0.02 -1.25 -0.07 114.94 114.33 1ogy s ASN 783 Ca 0.66 -1.53 -0.23 0.00 -1.02 0.00 0.00 52.86 50.73 1ogy s ASN 783 Cb -0.28 0.24 0.03 0.00 0.02 0.00 0.00 41.25 41.26 1ogy s ASN 783 CO 0.33 -0.78 0.79 -0.62 0.02 0.00 0.00 177.10 176.84 1ogy s ASP 784 N -3.55 6.39 0.50 -1.22 2.15 -0.80 -2.87 116.67 117.27 1ogy s ASP 784 Ca 0.29 -0.18 0.11 0.00 0.43 0.00 0.00 52.55 53.21 1ogy s ASP 784 Cb 0.05 -2.39 0.62 0.00 -0.30 0.00 0.00 42.92 40.91 1ogy s ASP 784 CO 0.14 -0.95 1.27 1.55 -0.17 0.00 0.00 175.17 177.01 1ogy h PRO 785 N 9.02 0.00 0.00 4.34 0.13 -1.89 0.98 132.00 144.58 1ogy h PRO 785 Ca -0.25 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.66 1ogy h PRO 785 Cb 1.08 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 1ogy h PRO 785 CO 0.97 0.00 -1.24 0.82 -0.23 0.00 0.00 178.00 178.32 1ogy h ILE 786 N 0.00 0.86 0.00 -3.56 2.04 -1.91 -3.41 117.51 111.54 1ogy h ILE 786 Ca 0.00 -2.12 -0.17 0.00 1.00 0.00 0.00 64.86 63.57 1ogy h ILE 786 Cb 1.17 2.11 -0.03 0.00 -0.74 0.00 0.00 36.82 39.33 1ogy h ILE 786 CO 0.00 0.29 -1.20 0.77 0.00 0.00 0.00 178.15 178.01 1ogy h SER 787 N -1.00 0.00 -1.24 1.72 4.64 -1.75 -3.48 113.55 112.44 1ogy h SER 787 Ca -0.34 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.80 1ogy h SER 787 Cb 1.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 1ogy h SER 787 CO -0.20 0.62 -0.23 0.54 -0.87 0.00 0.00 176.83 176.69 1ogy n ARG 788 N -3.01 -0.72 -3.08 4.77 5.12 0.33 -4.74 116.66 115.34 1ogy n ARG 788 Ca -0.07 0.46 -0.42 0.00 -1.93 0.00 0.00 57.85 55.89 1ogy n ARG 788 Cb 0.84 -4.45 -0.06 0.00 -1.16 0.00 0.00 32.46 27.62 1ogy n ARG 788 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1ogy s GLN 789 N -4.35 3.74 0.63 5.56 0.74 -1.24 -4.75 119.66 119.98 1ogy s GLN 789 Ca 0.00 0.16 -0.19 0.00 0.05 0.00 0.00 55.36 55.38 1ogy s GLN 789 Cb 0.00 -3.79 -0.02 0.00 1.10 0.00 0.00 33.01 30.30 1ogy s GLN 789 CO 0.00 -0.72 1.29 -0.08 -0.55 0.00 0.00 175.29 175.23 1ogy s THR 790 N 2.76 2.10 -0.38 -0.34 -1.32 -1.26 -1.91 115.64 115.29 1ogy s THR 790 Ca 0.26 0.06 -0.11 0.00 -1.21 0.00 0.00 61.69 60.69 1ogy s THR 790 Cb -0.14 -3.03 0.03 0.00 -1.51 0.00 0.00 72.50 67.85 1ogy s THR 790 CO 0.14 -0.01 0.21 -0.62 -2.21 0.00 0.00 174.62 172.13 1ogy s ASP 791 N -1.36 5.72 0.00 8.08 -1.08 0.91 -4.59 116.67 124.34 1ogy s ASP 791 Ca 0.81 -1.05 0.23 0.00 -0.52 0.00 0.00 52.55 52.01 1ogy s ASP 791 Cb -0.37 -2.02 0.14 0.00 -1.46 0.00 0.00 42.92 39.21 1ogy s ASP 791 CO 0.40 -0.40 1.19 0.49 0.52 0.00 0.00 175.17 177.37 1ogy n PHE 792 N 4.99 0.00 1.28 -5.34 3.01 -1.25 -4.52 117.46 115.62 1ogy n PHE 792 Ca -0.12 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.48 1ogy n PHE 792 Cb 0.46 0.00 0.53 0.00 -0.01 0.00 0.00 39.48 40.46 1ogy n PHE 792 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1ogy n LYS 793 N 1.02 0.53 -3.63 -1.08 4.76 -1.26 -3.35 118.16 115.16 1ogy n LYS 793 Ca 0.13 -0.21 -0.12 0.00 -2.87 0.00 0.00 58.31 55.24 1ogy n LYS 793 Cb 0.55 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 32.18 1ogy n LYS 793 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1ogy s LYS 794 N -2.61 0.73 -0.09 1.97 -2.85 -1.17 -3.94 119.74 111.77 1ogy s LYS 794 Ca 0.24 0.89 -0.32 0.00 -1.00 0.00 0.00 55.97 55.78 1ogy s LYS 794 Cb 0.19 0.34 0.12 0.00 -2.06 0.00 0.00 37.83 36.43 1ogy s LYS 794 CO 0.52 -0.09 1.18 0.00 0.10 0.00 0.00 175.35 177.05 1ogy s ALA 796 N -2.57 3.47 0.00 0.00 0.00 -1.26 -0.45 121.76 120.96 1ogy s ALA 796 Ca 0.11 0.11 -0.03 0.00 0.00 0.00 0.00 51.96 52.15 1ogy s ALA 796 Cb 0.01 -2.81 -0.01 0.00 0.00 0.00 0.00 23.12 20.31 1ogy s ALA 796 CO -0.04 0.17 0.06 0.08 0.00 0.00 0.00 175.76 176.03 1ogy s VAL 797 N -0.31 0.08 0.11 0.00 1.01 0.50 -4.71 120.40 117.06 1ogy s VAL 797 Ca 0.33 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.72 1ogy s VAL 797 Cb -0.19 -0.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 1ogy s VAL 797 CO 0.19 -0.37 -0.10 -0.75 0.00 0.00 0.00 175.10 174.08 1ogy s LYS 798 N -1.17 2.14 -0.10 2.72 2.20 0.18 -1.53 119.74 124.17 1ogy s LYS 798 Ca -0.13 -1.03 0.00 0.00 -0.36 0.00 0.00 55.97 54.46 1ogy s LYS 798 Cb -0.07 -2.31 0.02 0.00 -1.51 0.00 0.00 37.83 33.96 1ogy s LYS 798 CO 0.00 0.51 -0.10 0.42 -0.36 0.00 0.00 175.35 175.82 1ogy s ILE 799 N -1.24 1.12 0.14 5.43 1.01 -1.25 0.42 121.20 126.83 1ogy s ILE 799 Ca 0.22 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.53 1ogy s ILE 799 Cb -0.11 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.22 1ogy s ILE 799 CO 0.14 0.37 -0.09 -1.61 0.00 0.00 0.00 174.94 173.75 1ogy s GLU 800 N 1.39 1.04 0.00 2.79 0.41 -1.13 -4.92 118.70 118.28 1ogy s GLU 800 Ca -0.01 -1.44 0.00 0.00 -0.41 0.00 0.00 54.97 53.11 1ogy s GLU 800 Cb -0.13 -0.56 0.00 0.00 -1.78 0.00 0.00 34.13 31.66 1ogy s GLU 800 CO -0.05 0.05 0.00 0.00 -0.49 0.00 0.00 175.26 174.77