#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 3.02 -0.21 0.38 0.52 -0.82 -4.93 118.95 116.89 1ogy s ARG 13 Ca 0.00 -0.88 -0.15 0.00 -0.52 0.00 0.00 55.73 54.18 1ogy s ARG 13 Cb 0.00 -3.17 -0.04 0.00 0.52 0.00 0.00 34.95 32.26 1ogy s ARG 13 CO 0.00 -0.40 0.37 -1.58 0.02 0.00 0.00 175.30 173.71 1ogy s TRP 14 N 1.42 3.35 0.12 -0.53 0.52 -1.26 -0.33 118.94 122.23 1ogy s TRP 14 Ca 0.02 0.55 0.10 0.00 0.02 0.00 0.00 56.10 56.79 1ogy s TRP 14 Cb -0.17 -2.50 -0.04 0.00 -1.15 0.00 0.00 33.47 29.61 1ogy s TRP 14 CO -0.01 -0.03 -0.26 -1.12 0.02 0.00 0.00 176.95 175.56 1ogy s SER 15 N 1.11 3.15 0.28 2.95 0.01 0.19 -4.91 113.70 116.47 1ogy s SER 15 Ca 0.17 -0.72 -0.29 0.00 1.31 0.00 0.00 55.95 56.42 1ogy s SER 15 Cb -0.15 -0.21 -0.09 0.00 0.21 0.00 0.00 66.02 65.78 1ogy s SER 15 CO 0.08 0.16 1.00 -0.75 0.41 0.00 0.00 173.24 174.14 1ogy s LYS 16 N -1.95 4.70 -0.23 12.44 2.20 -1.26 0.41 119.74 136.05 1ogy s LYS 16 Ca 0.12 1.58 -0.28 0.00 -0.36 0.00 0.00 55.97 57.03 1ogy s LYS 16 Cb -0.10 -3.13 0.14 0.00 -1.51 0.00 0.00 37.83 33.22 1ogy s LYS 16 CO 0.05 0.34 1.08 0.00 -0.36 0.00 0.00 175.35 176.46 1ogy s ALA 17 N -1.26 -1.99 0.13 3.13 0.00 -0.21 -4.63 121.76 116.93 1ogy s ALA 17 Ca 0.45 1.73 -0.22 0.00 0.00 0.00 0.00 51.96 53.91 1ogy s ALA 17 Cb -0.27 -1.15 -0.07 0.00 0.00 0.00 0.00 23.12 21.63 1ogy s ALA 17 CO 0.34 -0.26 0.69 -1.25 0.00 0.00 0.00 175.76 175.28 1ogy s PRO 18 N -0.48 4.39 0.25 0.00 0.04 -1.26 0.52 135.00 138.45 1ogy s PRO 18 Ca 0.02 0.96 -0.28 0.00 0.04 0.00 0.00 61.00 61.73 1ogy s PRO 18 Cb -0.03 -3.22 -0.15 0.00 0.04 0.00 0.00 34.50 31.14 1ogy s PRO 18 CO -0.04 0.59 0.82 0.00 0.04 0.00 0.00 177.00 178.41 1ogy n ARG 20 N 0.87 1.22 0.00 0.00 3.00 -1.26 -4.80 116.66 115.69 1ogy n ARG 20 Ca 0.13 -0.33 0.00 0.00 -0.00 0.00 0.00 57.85 57.65 1ogy n ARG 20 Cb 0.29 -1.22 0.00 0.00 0.00 0.00 0.00 32.46 31.52 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 -0.37 0.00 0.00 -0.14 0.99 -1.26 -4.83 117.46 111.86 1ogy n PHE 21 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.55 1ogy n PHE 21 Cb 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.60 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 -0.30 0.23 0.00 0.00 0.15 -3.74 105.19 101.54 1ogy n GLY 23 Ca 0.00 -0.35 -0.15 0.00 0.00 0.00 0.00 46.02 45.52 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 1.51 0.62 -0.26 2.61 2.02 -1.83 -1.62 112.91 115.96 1ogy h THR 24 Ca 0.00 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1ogy h THR 24 Cb 0.32 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1ogy h THR 24 CO 0.00 0.05 0.00 0.61 0.37 0.00 0.00 175.52 176.55 1ogy n GLY 25 N -0.92 0.99 3.72 2.16 0.00 -1.25 -4.54 105.19 105.36 1ogy n GLY 25 Ca -0.11 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.39 2.14 0.18 0.00 0.00 -1.26 -1.11 107.32 104.88 1ogy s GLY 27 Ca 0.70 -0.64 0.10 0.00 0.00 0.00 0.00 44.72 44.88 1ogy s GLY 27 CO 0.49 -0.21 -0.21 0.14 0.00 0.00 0.00 173.10 173.30 1ogy s VAL 28 N -0.63 2.10 -0.30 1.40 1.01 0.18 -1.54 120.40 122.62 1ogy s VAL 28 Ca 0.13 -1.97 0.02 0.00 0.00 0.00 0.00 61.98 60.17 1ogy s VAL 28 Cb -0.12 -1.98 0.08 0.00 0.00 0.00 0.00 36.38 34.36 1ogy s VAL 28 CO 0.03 -0.20 -0.02 -0.04 0.00 0.00 0.00 175.10 174.87 1ogy s MET 29 N -2.70 1.96 -0.10 2.72 -1.94 -0.47 -1.04 119.30 117.72 1ogy s MET 29 Ca 0.18 -1.57 -0.30 0.00 -1.71 0.00 0.00 55.69 52.29 1ogy s MET 29 Cb -0.07 -3.09 -0.01 0.00 2.01 0.00 0.00 34.83 33.67 1ogy s MET 29 CO 0.08 -0.75 1.05 0.08 -0.01 0.00 0.00 175.02 175.47 1ogy s VAL 30 N 1.04 4.67 -0.20 -6.03 1.01 0.17 -2.19 120.40 118.87 1ogy s VAL 30 Ca 0.00 1.95 -0.15 0.00 0.00 0.00 0.00 61.98 63.78 1ogy s VAL 30 Cb -0.20 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 1ogy s VAL 30 CO -0.06 -0.00 0.35 -0.83 0.00 0.00 0.00 175.10 174.56 1ogy s GLY 31 N 1.18 2.10 -0.04 4.51 0.00 -0.03 -0.64 107.32 114.41 1ogy s GLY 31 Ca 0.50 -0.56 0.05 0.00 0.00 0.00 0.00 44.72 44.71 1ogy s GLY 31 CO 0.18 0.69 -0.19 -1.59 0.00 0.00 0.00 173.10 172.20 1ogy s THR 32 N 1.12 1.54 -0.12 0.90 2.01 0.55 -0.52 115.64 121.11 1ogy s THR 32 Ca 0.17 -0.79 -0.07 0.00 0.31 0.00 0.00 61.69 61.31 1ogy s THR 32 Cb -0.14 -1.31 0.05 0.00 0.01 0.00 0.00 72.50 71.11 1ogy s THR 32 CO 0.07 0.44 0.30 -0.60 -0.69 0.00 0.00 174.62 174.13 1ogy s ARG 33 N -0.13 0.27 -1.45 4.92 3.52 0.12 -1.95 118.95 124.24 1ogy s ARG 33 Ca -0.00 0.59 -0.01 0.00 -0.13 0.00 0.00 55.73 56.17 1ogy s ARG 33 Cb -0.11 -0.06 0.01 0.00 -1.56 0.00 0.00 34.95 33.24 1ogy s ARG 33 CO 0.01 -0.15 0.38 -0.25 -0.81 0.00 0.00 175.30 174.48 1ogy n ASP 34 N 4.08 -0.30 -1.00 -2.12 9.92 -1.26 -0.75 116.55 125.11 1ogy n ASP 34 Ca -0.23 -1.05 -0.13 0.00 -0.53 0.00 0.00 54.79 52.85 1ogy n ASP 34 Cb 0.54 -2.80 -0.06 0.00 -0.64 0.00 0.00 41.12 38.16 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 -2.04 1.37 3.14 0.44 0.00 -1.26 -4.98 105.19 101.85 1ogy n GLY 35 Ca -0.29 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.05 0.98 -0.27 1.61 -1.52 0.07 -4.55 119.66 112.93 1ogy s GLN 36 Ca 0.00 -0.73 -0.23 0.00 -1.95 0.00 0.00 55.36 52.45 1ogy s GLN 36 Cb 0.00 -0.99 -0.01 0.00 -0.22 0.00 0.00 33.01 31.79 1ogy s GLN 36 CO 0.00 0.25 0.75 0.08 -0.25 0.00 0.00 175.29 176.12 1ogy s VAL 37 N -0.78 4.87 -0.65 1.09 1.01 -1.26 0.12 120.40 124.79 1ogy s VAL 37 Ca 0.02 1.30 0.05 0.00 0.00 0.00 0.00 61.98 63.36 1ogy s VAL 37 Cb -0.08 -4.07 0.05 0.00 0.00 0.00 0.00 36.38 32.28 1ogy s VAL 37 CO 0.01 -0.11 0.70 1.33 0.00 0.00 0.00 175.10 177.03 1ogy n VAL 38 N 5.33 0.06 -3.53 2.92 0.24 0.32 -4.95 118.33 118.73 1ogy n VAL 38 Ca 0.03 -0.53 -0.14 0.00 -2.04 0.00 0.00 64.34 61.66 1ogy n VAL 38 Cb 0.48 1.07 -0.05 0.00 -1.47 0.00 0.00 33.84 33.88 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 -0.48 -1.81 -0.24 2.33 0.00 -1.18 -4.99 121.76 115.39 1ogy s ALA 39 Ca 0.07 1.29 -0.04 0.00 0.00 0.00 0.00 51.96 53.28 1ogy s ALA 39 Cb 0.05 -0.10 0.09 0.00 0.00 0.00 0.00 23.12 23.16 1ogy s ALA 39 CO 0.07 -0.42 0.15 0.99 0.00 0.00 0.00 175.76 176.55 1ogy s THR 40 N -1.61 -0.15 0.43 0.00 2.01 -1.26 -0.85 115.64 114.21 1ogy s THR 40 Ca -0.05 -0.46 0.07 0.00 0.31 0.00 0.00 61.69 61.56 1ogy s THR 40 Cb -0.00 -0.82 -0.03 0.00 0.01 0.00 0.00 72.50 71.66 1ogy s THR 40 CO 0.03 -0.49 0.27 -1.00 -0.69 0.00 0.00 174.62 172.74 1ogy s HIS 41 N 2.17 2.56 0.09 4.92 3.76 -0.93 -4.69 115.29 123.18 1ogy s HIS 41 Ca 0.07 -0.58 -0.27 0.00 -0.15 0.00 0.00 55.06 54.13 1ogy s HIS 41 Cb -0.16 -2.03 -0.06 0.00 1.11 0.00 0.00 32.58 31.44 1ogy s HIS 41 CO -0.25 0.02 0.86 0.20 -0.85 0.00 0.00 174.74 174.72 1ogy s GLY 42 N -4.02 2.91 -0.67 -2.22 0.00 -1.26 -1.37 107.32 100.69 1ogy s GLY 42 Ca 0.43 0.43 -0.27 0.00 0.00 0.00 0.00 44.72 45.30 1ogy s GLY 42 CO 0.24 1.24 1.33 -0.35 0.00 0.00 0.00 173.10 175.56 1ogy s ASP 43 N -0.16 6.14 0.04 1.64 -1.08 -0.59 -4.43 116.67 118.24 1ogy s ASP 43 Ca 0.42 -0.16 0.14 0.00 -0.52 0.00 0.00 52.55 52.42 1ogy s ASP 43 Cb -0.22 -2.55 0.59 0.00 -1.46 0.00 0.00 42.92 39.27 1ogy s ASP 43 CO 0.27 -1.79 1.43 0.35 0.52 0.00 0.00 175.17 175.95 1ogy n THR 44 N 6.58 1.12 1.16 1.71 -2.24 -1.26 -1.62 114.28 119.74 1ogy n THR 44 Ca 0.07 0.30 0.12 0.00 -2.27 0.00 0.00 64.05 62.27 1ogy n THR 44 Cb 0.49 -1.11 0.23 0.00 -2.10 0.00 0.00 70.33 67.84 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 -1.61 1.65 -3.11 -0.78 1.13 -1.26 -4.50 117.38 108.90 1ogy n GLN 45 Ca 0.03 -1.24 -0.39 0.00 -1.94 0.00 0.00 57.00 53.46 1ogy n GLN 45 Cb 0.15 -1.47 -0.05 0.00 0.11 0.00 0.00 30.24 28.97 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 -2.20 3.40 0.27 -1.58 0.00 -0.82 -4.88 121.76 115.96 1ogy s ALA 46 Ca 0.28 0.01 -0.02 0.00 0.00 0.00 0.00 51.96 52.23 1ogy s ALA 46 Cb 0.20 -2.89 0.38 0.00 0.00 0.00 0.00 23.12 20.80 1ogy s ALA 46 CO 0.41 -0.14 1.80 0.93 0.00 0.00 0.00 175.76 178.76 1ogy h GLU 47 N 6.84 0.82 0.00 0.00 4.39 -1.89 -1.21 114.58 123.53 1ogy h GLU 47 Ca -0.40 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.12 1ogy h GLU 47 Cb 1.18 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1ogy h GLU 47 CO 0.76 0.77 0.00 0.28 -1.16 0.00 0.00 179.01 179.65 1ogy n VAL 48 N -4.26 0.00 -0.01 3.13 0.31 -1.26 -4.37 118.33 111.87 1ogy n VAL 48 Ca 0.03 1.37 -0.22 0.00 -0.01 0.00 0.00 64.34 65.51 1ogy n VAL 48 Cb 0.25 -2.22 -0.14 0.00 -0.91 0.00 0.00 33.84 30.83 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 -1.86 2.08 -2.76 4.52 6.94 -1.25 -5.02 115.26 117.92 1ogy n ASN 49 Ca 0.00 0.25 -0.06 0.00 -0.02 0.00 0.00 54.58 54.75 1ogy n ASN 49 Cb 0.00 -0.88 0.03 0.00 -2.36 0.00 0.00 39.78 36.56 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 -3.65 -1.35 -0.98 -3.83 5.12 -0.46 -3.79 116.66 107.72 1ogy n ARG 50 Ca -0.32 0.97 0.00 0.00 -1.93 0.00 0.00 57.85 56.57 1ogy n ARG 50 Cb 0.99 -4.78 0.00 0.00 -1.16 0.00 0.00 32.46 27.51 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 -1.45 0.73 3.29 -0.13 0.00 -0.64 -4.76 105.19 102.24 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 2.10 0.00 0.99 1.02 -1.25 -4.31 118.68 117.23 1ogy s LEU 52 Ca 0.00 -0.49 0.03 0.00 0.02 0.00 0.00 54.13 53.69 1ogy s LEU 52 Cb 0.00 -1.37 -0.01 0.00 0.02 0.00 0.00 46.19 44.83 1ogy s LEU 52 CO 0.00 0.27 0.09 0.59 0.02 0.00 0.00 176.35 177.32 1ogy n ASN 53 N 2.79 1.39 -2.78 2.29 5.03 -1.26 -4.74 115.26 117.98 1ogy n ASN 53 Ca -0.17 -2.57 -0.07 0.00 0.87 0.00 0.00 54.58 52.64 1ogy n ASN 53 Cb 0.52 0.68 -0.00 0.00 -1.02 0.00 0.00 39.78 39.96 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 0.57 0.38 -0.85 0.00 2.07 -2.01 -2.02 116.25 114.39 1ogy h VAL 55 Ca -0.10 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.61 1ogy h VAL 55 Cb 0.35 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 1ogy h VAL 55 CO 0.15 0.00 0.57 0.11 0.02 0.00 0.00 177.57 178.42 1ogy h LYS 56 N -0.54 0.40 0.12 1.57 1.57 -1.90 -2.30 116.57 115.48 1ogy h LYS 56 Ca 0.02 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1ogy h LYS 56 Cb 0.54 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1ogy h LYS 56 CO -0.13 0.27 -0.06 0.78 -0.57 0.00 0.00 179.45 179.74 1ogy h GLY 57 N 0.42 -0.16 2.00 3.86 0.00 -1.75 -2.81 103.07 104.62 1ogy h GLY 57 Ca 0.44 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.82 1ogy h GLY 57 CO -0.16 -0.06 -0.05 -0.97 0.00 0.00 0.00 176.54 175.30 1ogy h TYR 58 N -0.49 0.00 -0.65 5.60 -1.99 -0.97 -1.64 116.97 116.83 1ogy h TYR 58 Ca -0.02 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.51 1ogy h TYR 58 Cb 0.40 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 39.00 1ogy h TYR 58 CO 0.03 0.05 0.26 1.19 -0.00 0.00 0.00 178.16 179.70 1ogy n PHE 59 N -3.84 2.15 0.21 4.88 3.01 -0.93 -4.12 117.46 118.82 1ogy n PHE 59 Ca -0.03 -1.09 0.06 0.00 1.01 0.00 0.00 57.45 57.40 1ogy n PHE 59 Cb 0.15 -0.63 0.48 0.00 -0.01 0.00 0.00 39.48 39.46 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 2.24 0.00 -2.09 4.37 3.38 -1.18 -2.37 115.31 119.66 1ogy h LEU 60 Ca 0.25 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.31 1ogy h LEU 60 Cb 2.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.88 1ogy h LEU 60 CO 0.66 0.26 0.28 0.77 0.09 0.00 0.00 178.44 180.50 1ogy h SER 61 N 0.00 0.00 -0.60 -0.43 4.64 -1.82 -1.97 113.55 113.37 1ogy h SER 61 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ogy h SER 61 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1ogy h SER 61 CO 0.03 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.28 1ogy n LYS 62 N -4.06 2.65 0.06 4.77 5.02 -0.89 -4.63 118.16 121.08 1ogy n LYS 62 Ca 0.05 -2.51 -0.14 0.00 -2.02 0.00 0.00 58.31 53.68 1ogy n LYS 62 Cb 0.44 -1.54 -0.05 0.00 -0.02 0.00 0.00 35.03 33.86 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 4.24 1.38 -0.21 -0.18 2.04 -1.46 -3.26 117.51 120.07 1ogy h ILE 63 Ca 0.00 -2.40 0.00 0.00 1.00 0.00 0.00 64.86 63.46 1ogy h ILE 63 Cb 0.98 2.40 0.00 0.00 -0.74 0.00 0.00 36.82 39.46 1ogy h ILE 63 CO 0.00 0.72 0.00 0.23 0.00 0.00 0.00 178.15 179.10 1ogy n MET 64 N -3.77 1.78 -0.31 2.37 0.00 -1.26 -4.38 117.12 111.54 1ogy n MET 64 Ca -0.07 -1.17 0.07 0.00 0.00 0.00 0.00 57.70 56.52 1ogy n MET 64 Cb 0.84 -1.38 0.21 0.00 0.00 0.00 0.00 33.22 32.89 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 0.40 0.71 -1.35 2.03 4.02 -1.23 -4.92 117.16 116.83 1ogy n TYR 65 Ca 0.16 -0.69 -0.35 0.00 -0.01 0.00 0.00 57.90 57.01 1ogy n TYR 65 Cb 0.34 -0.17 0.11 0.00 -0.02 0.00 0.00 39.34 39.59 1ogy n TYR 65 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1ogy s GLY 66 N -1.46 2.44 0.00 2.72 0.00 -1.26 -4.86 107.32 104.90 1ogy s GLY 66 Ca 0.33 1.00 0.22 0.00 0.00 0.00 0.00 44.72 46.27 1ogy s GLY 66 CO 0.12 1.43 1.72 -1.84 0.00 0.00 0.00 173.10 174.53 1ogy n GLU 67 N -2.77 0.43 0.07 2.90 0.28 -1.26 -3.25 120.64 117.04 1ogy n GLU 67 Ca 0.15 0.06 -0.05 0.00 -0.16 0.00 0.00 57.16 57.15 1ogy n GLU 67 Cb 0.49 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.77 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 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1ogy h ASP 68 CO 0.00 0.90 0.00 0.54 -1.72 0.00 0.00 179.24 178.96 1ogy n ARG 69 N -3.29 0.00 -1.76 3.56 5.12 -1.20 -4.67 116.66 114.42 1ogy n ARG 69 Ca -0.02 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.49 1ogy n ARG 69 Cb 0.91 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 32.19 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 4.35 0.00 0.55 1.43 -1.09 -4.90 118.68 119.01 1ogy s LEU 70 Ca 0.00 2.95 0.00 0.00 -1.03 0.00 0.00 54.13 56.05 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 -0.93 0.00 0.35 0.23 0.00 0.00 176.35 176.00 1ogy n THR 71 N 2.49 0.00 -3.92 5.49 -2.24 -1.26 -4.67 114.28 110.18 1ogy n THR 71 Ca 0.10 -0.24 -0.11 0.00 -2.27 0.00 0.00 64.05 61.52 1ogy n THR 71 Cb 0.37 0.76 -0.13 0.00 -2.10 0.00 0.00 70.33 69.23 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 -1.15 0.06 0.56 4.28 2.01 -1.26 -0.93 115.64 119.21 1ogy s THR 72 Ca 0.00 -0.28 -0.20 0.00 0.31 0.00 0.00 61.69 61.52 1ogy s THR 72 Cb 0.00 -0.11 -0.04 0.00 0.01 0.00 0.00 72.50 72.36 1ogy s THR 72 CO 0.00 -0.14 1.26 -2.84 -0.69 0.00 0.00 174.62 172.22 1ogy s PRO 73 N -0.44 3.10 -0.22 4.92 0.02 -1.25 -4.59 135.00 136.54 1ogy s PRO 73 Ca -0.04 1.99 0.00 0.00 0.02 0.00 0.00 61.00 62.97 1ogy s PRO 73 Cb -0.03 -2.11 0.05 0.00 0.02 0.00 0.00 34.50 32.44 1ogy s PRO 73 CO -0.00 -1.15 -0.06 -0.51 -0.33 0.00 0.00 177.00 174.95 1ogy s LEU 74 N -3.76 2.31 0.17 -5.54 2.01 -0.45 -2.40 118.68 111.02 1ogy s LEU 74 Ca 0.74 -1.04 0.04 0.00 0.01 0.00 0.00 54.13 53.88 1ogy s LEU 74 Cb -0.35 -1.12 -0.03 0.00 0.01 0.00 0.00 46.19 44.70 1ogy s LEU 74 CO 0.39 -0.22 0.26 -0.22 1.01 0.00 0.00 176.35 177.58 1ogy s LEU 75 N 1.45 4.21 -1.21 1.79 2.96 -0.53 -1.96 118.68 125.38 1ogy s LEU 75 Ca -0.04 0.07 -0.16 0.00 -0.22 0.00 0.00 54.13 53.78 1ogy s LEU 75 Cb -0.18 -2.78 0.12 0.00 0.50 0.00 0.00 46.19 43.86 1ogy s LEU 75 CO -0.07 0.03 1.53 -0.13 -1.32 0.00 0.00 176.35 176.39 1ogy s ARG 76 N -3.37 3.98 0.00 1.98 0.52 -1.03 0.23 118.95 121.26 1ogy s ARG 76 Ca 0.34 -2.20 0.00 0.00 -0.52 0.00 0.00 55.73 53.34 1ogy s ARG 76 Cb -0.10 -5.26 0.00 0.00 0.52 0.00 0.00 34.95 30.11 1ogy s ARG 76 CO 0.27 -1.99 0.00 -1.33 0.02 0.00 0.00 175.30 172.28 1ogy n MET 77 N 6.99 0.00 0.15 3.54 2.81 -1.20 -1.39 117.12 128.01 1ogy n MET 77 Ca 0.40 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 56.24 1ogy n MET 77 Cb 0.45 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.93 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 -0.36 -5.99 0.03 3.64 -1.82 -3.37 116.57 108.69 1ogy h LYS 78 Ca 0.00 0.02 -0.53 0.00 -1.27 0.00 0.00 60.65 58.87 1ogy h LYS 78 Cb 0.00 0.08 -0.18 0.00 -0.41 0.00 0.00 32.23 31.73 1ogy h LYS 78 CO 0.00 -0.24 -0.78 -0.51 -2.27 0.00 0.00 179.45 175.64 1ogy s ASP 79 N -2.78 2.77 0.00 4.20 1.11 -1.26 -4.51 116.67 116.20 1ogy s ASP 79 Ca -0.06 -0.87 0.00 0.00 0.18 0.00 0.00 52.55 51.80 1ogy s ASP 79 Cb 0.01 -0.17 0.00 0.00 1.07 0.00 0.00 42.92 43.83 1ogy s ASP 79 CO 0.17 -0.02 0.00 0.61 1.18 0.00 0.00 175.17 177.10 1ogy n GLY 80 N 0.24 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 -0.55 0.00 0.00 1.61 0.31 -1.26 -4.89 118.33 113.55 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 -3.79 3.52 9.36 -1.26 -4.64 117.16 120.35 1ogy n TYR 82 Ca 0.00 0.00 -0.20 0.00 3.32 0.00 0.00 57.90 61.02 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 0.35 -0.42 2.98 5.65 -0.48 -5.02 115.29 118.35 1ogy s HIS 83 Ca 0.00 0.03 -0.28 0.00 0.25 0.00 0.00 55.06 55.06 1ogy s HIS 83 Cb 0.00 -0.56 -0.01 0.00 -1.18 0.00 0.00 32.58 30.83 1ogy s HIS 83 CO 0.00 -0.21 1.64 0.21 -0.65 0.00 0.00 174.74 175.72 1ogy s LYS 84 N 1.70 3.32 0.00 2.88 2.20 -1.26 0.01 119.74 128.59 1ogy s LYS 84 Ca -0.00 1.05 0.00 0.00 -0.36 0.00 0.00 55.97 56.66 1ogy s LYS 84 Cb -0.13 -4.16 0.00 0.00 -1.51 0.00 0.00 37.83 32.04 1ogy s LYS 84 CO -0.03 -1.88 0.00 -1.91 -0.36 0.00 0.00 175.35 171.16 1ogy n GLU 85 N 8.44 0.00 0.00 4.03 2.13 -1.26 -5.04 120.64 128.93 1ogy n GLU 85 Ca 0.19 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.01 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 1.35 0.00 8.31 0.00 0.10 -5.14 105.19 109.81 1ogy n GLY 86 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 2.24 -4.39 1.61 1.02 -1.26 -4.96 120.64 114.90 1ogy n GLU 87 Ca 0.00 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.89 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 -0.50 1.50 0.05 -0.32 0.40 -1.26 -3.26 117.98 114.58 1ogy s PHE 88 Ca 0.00 -0.62 0.04 0.00 -0.60 0.00 0.00 56.93 55.75 1ogy s PHE 88 Cb 0.00 -1.14 -0.02 0.00 0.51 0.00 0.00 43.02 42.37 1ogy s PHE 88 CO 0.00 -0.36 -0.13 0.00 0.70 0.00 0.00 175.22 175.43 1ogy s ALA 89 N 0.97 1.07 0.85 5.36 0.00 0.14 -4.88 121.76 125.26 1ogy s ALA 89 Ca -0.09 -0.84 -0.12 0.00 0.00 0.00 0.00 51.96 50.90 1ogy s ALA 89 Cb -0.15 -0.13 0.10 0.00 0.00 0.00 0.00 23.12 22.94 1ogy s ALA 89 CO 0.00 0.17 1.11 -2.30 0.00 0.00 0.00 175.76 174.75 1ogy n PRO 90 N 1.72 -0.03 -3.63 0.00 -0.02 -1.26 -1.46 135.00 130.31 1ogy n PRO 90 Ca -0.19 0.07 -0.06 0.00 -2.02 0.00 0.00 63.50 61.29 1ogy n PRO 90 Cb 0.55 -2.36 -0.07 0.00 -0.02 0.00 0.00 33.50 31.60 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 -2.28 0.00 0.93 -1.45 0.11 -1.01 -4.75 120.40 111.94 1ogy s VAL 91 Ca 0.70 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 59.65 1ogy s VAL 91 Cb -0.27 -1.00 0.15 0.00 -1.53 0.00 0.00 36.38 33.73 1ogy s VAL 91 CO 0.54 0.00 1.12 -0.55 -3.33 0.00 0.00 175.10 172.89 1ogy s SER 92 N -0.10 2.85 0.07 3.54 0.15 -1.26 -3.74 113.70 115.20 1ogy s SER 92 Ca 0.05 2.05 -0.27 0.00 0.70 0.00 0.00 55.95 58.48 1ogy s SER 92 Cb -0.04 -2.52 -0.17 0.00 -1.71 0.00 0.00 66.02 61.58 1ogy s SER 92 CO -0.09 -3.13 1.61 -0.50 1.20 0.00 0.00 173.24 172.34 1ogy h TRP 93 N -1.88 -0.32 -0.28 3.44 4.06 -1.98 0.18 115.95 119.17 1ogy h TRP 93 Ca -0.46 -0.01 0.06 0.00 2.06 0.00 0.00 58.89 60.55 1ogy h TRP 93 Cb 1.27 0.10 -0.08 0.00 -1.00 0.00 0.00 29.16 29.46 1ogy h TRP 93 CO 0.48 -0.14 -0.40 -0.44 -3.56 0.00 0.00 178.44 174.37 1ogy h ASP 94 N -0.41 -1.30 -0.29 -3.49 3.32 -1.99 0.49 116.42 112.75 1ogy h ASP 94 Ca -0.03 0.19 0.07 0.00 0.02 0.00 0.00 57.03 57.27 1ogy h ASP 94 Cb 0.31 0.56 -0.07 0.00 0.22 0.00 0.00 39.33 40.35 1ogy h ASP 94 CO 0.06 -0.38 -0.23 -0.33 -1.72 0.00 0.00 179.24 176.64 1ogy h GLU 95 N -0.39 -0.20 -0.76 3.56 5.08 -1.88 0.37 114.58 120.37 1ogy h GLU 95 Ca 0.11 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.62 1ogy h GLU 95 Cb 0.59 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.80 1ogy h GLU 95 CO -0.48 -0.13 0.33 0.00 -1.00 0.00 0.00 179.01 177.73 1ogy h ALA 96 N 0.90 1.07 -0.19 3.43 0.00 0.12 -0.72 119.26 123.88 1ogy h ALA 96 Ca 0.15 0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.97 1ogy h ALA 96 Cb 0.44 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1ogy h ALA 96 CO -0.41 -0.15 -0.64 0.74 0.00 0.00 0.00 179.25 178.79 1ogy h PHE 97 N 0.51 0.88 -0.32 0.00 0.04 0.11 -1.70 116.94 116.46 1ogy h PHE 97 Ca 0.41 -0.34 0.07 0.00 2.80 0.00 0.00 57.97 60.90 1ogy h PHE 97 Cb 0.57 -0.15 -0.08 0.00 2.20 0.00 0.00 35.95 38.49 1ogy h PHE 97 CO -0.14 1.13 -0.19 -0.44 -0.60 0.00 0.00 178.31 178.07 1ogy h ASP 98 N 0.49 -0.64 -0.35 2.17 3.45 0.11 1.00 116.42 122.65 1ogy h ASP 98 Ca -0.01 0.14 -0.08 0.00 0.43 0.00 0.00 57.03 57.50 1ogy h ASP 98 Cb 1.23 0.33 -0.01 0.00 -0.56 0.00 0.00 39.33 40.32 1ogy h ASP 98 CO 0.13 -0.23 -0.10 0.58 -1.57 0.00 0.00 179.24 178.05 1ogy h VAL 99 N -0.15 1.28 0.00 -1.35 2.07 -1.28 -2.14 116.25 114.68 1ogy h VAL 99 Ca 0.17 -1.17 -0.06 0.00 0.82 0.00 0.00 66.70 66.45 1ogy h VAL 99 Cb 0.41 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1ogy h VAL 99 CO -0.41 0.38 -0.30 -0.03 0.02 0.00 0.00 177.57 177.23 1ogy h MET 100 N 0.48 0.00 0.13 1.57 -1.53 -0.50 -2.15 114.93 112.93 1ogy h MET 100 Ca 0.09 0.00 -0.21 0.00 -3.44 0.00 0.00 59.70 56.13 1ogy h MET 100 Cb 0.61 0.00 0.02 0.00 -0.55 0.00 0.00 31.60 31.68 1ogy h MET 100 CO 0.04 0.30 -0.91 0.00 0.14 0.00 0.00 176.91 176.47 1ogy h ALA 101 N 1.70 -0.06 0.02 0.39 0.00 0.12 -3.09 119.26 118.34 1ogy h ALA 101 Ca -0.00 -0.70 0.02 0.00 0.00 0.00 0.00 54.91 54.22 1ogy h ALA 101 Cb 0.62 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1ogy h ALA 101 CO 0.04 0.45 -0.12 0.00 0.00 0.00 0.00 179.25 179.62 1ogy h ALA 102 N 0.17 -0.15 -0.76 0.00 0.00 -1.18 -0.13 119.26 117.20 1ogy h ALA 102 Ca -0.15 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 54.89 1ogy h ALA 102 Cb 1.68 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 19.58 1ogy h ALA 102 CO 0.17 -0.62 0.35 1.96 0.00 0.00 0.00 179.25 181.12 1ogy h GLN 103 N -0.21 0.52 0.39 0.00 1.08 -1.51 -1.98 115.11 113.41 1ogy h GLN 103 Ca 0.03 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 1ogy h GLN 103 Cb 0.25 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1ogy h GLN 103 CO -0.10 0.34 -0.21 0.00 -0.95 0.00 0.00 178.83 177.91 1ogy h ALA 104 N 1.51 -1.11 -0.98 3.87 0.00 -1.27 -2.46 119.26 118.82 1ogy h ALA 104 Ca 0.41 -0.12 0.30 0.00 0.00 0.00 0.00 54.91 55.49 1ogy h ALA 104 Cb 0.56 0.28 -0.18 0.00 0.00 0.00 0.00 17.79 18.45 1ogy h ALA 104 CO -0.35 -1.08 0.15 0.87 0.00 0.00 0.00 179.25 178.84 1ogy h LYS 105 N -0.56 0.03 0.40 0.00 1.57 -0.72 0.15 116.57 117.43 1ogy h LYS 105 Ca -0.05 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1ogy h LYS 105 Cb 0.44 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1ogy h LYS 105 CO 0.07 0.02 -0.20 1.25 -0.57 0.00 0.00 179.45 180.02 1ogy h LEU 106 N 0.03 -0.48 -1.16 2.94 5.85 -1.27 -2.77 115.31 118.45 1ogy h LEU 106 Ca 0.65 0.02 0.28 0.00 0.84 0.00 0.00 57.88 59.67 1ogy h LEU 106 Cb 1.42 0.13 -0.12 0.00 0.37 0.00 0.00 40.66 42.46 1ogy h LEU 106 CO -0.87 -0.33 0.64 0.58 -0.34 0.00 0.00 178.44 178.12 1ogy h VAL 107 N -0.54 0.45 0.00 1.05 2.07 -0.79 0.43 116.25 118.92 1ogy h VAL 107 Ca -0.05 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1ogy h VAL 107 Cb 0.42 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1ogy h VAL 107 CO 0.08 0.08 0.00 -0.11 0.02 0.00 0.00 177.57 177.64 1ogy n LEU 108 N -4.82 1.42 0.00 2.57 7.94 0.41 -1.10 117.00 123.42 1ogy n LEU 108 Ca 0.28 -0.71 0.00 0.00 -1.11 0.00 0.00 56.01 54.47 1ogy n LEU 108 Cb 0.90 -0.39 0.00 0.00 0.53 0.00 0.00 43.42 44.46 1ogy n LEU 108 CO 0.18 0.27 0.00 0.29 -1.11 0.00 0.00 177.39 177.03 1ogy n LYS 109 N 0.32 2.98 -0.08 1.96 4.76 0.15 -4.54 118.16 123.70 1ogy n LYS 109 Ca 0.00 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.27 1ogy n LYS 109 Cb 0.27 -0.25 -0.13 0.00 -1.84 0.00 0.00 35.03 33.08 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 0.69 0.00 1.97 1.02 -0.92 -4.69 120.64 118.71 1ogy n GLU 110 Ca 0.00 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 1ogy n GLU 110 Cb 0.00 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.82 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 -3.24 3.14 0.00 3.49 5.02 -0.89 -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 1.04 -0.36 0.00 0.00 -0.02 0.00 0.00 35.03 35.68 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 -0.50 0.00 -0.33 7.82 0.00 -0.26 -4.36 120.51 122.88 1ogy n ALA 112 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 1ogy n ALA 112 Cb 0.00 0.00 0.30 0.00 0.00 0.00 0.00 19.45 19.75 1ogy n ALA 112 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1ogy n PRO 113 N -1.00 -0.07 0.00 0.00 -0.02 -1.26 -0.55 135.00 132.09 1ogy n PRO 113 Ca 0.00 1.42 0.00 0.00 -2.02 0.00 0.00 63.50 62.90 1ogy n PRO 113 Cb 0.00 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 1ogy n PRO 113 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ogy n GLU 114 N -5.40 0.31 0.00 -0.52 1.02 -1.26 -1.55 120.64 113.24 1ogy n GLU 114 Ca 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 1ogy n GLU 114 Cb 0.78 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 31.11 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 -0.02 1.42 -2.54 0.62 0.00 0.29 -4.61 120.51 115.67 1ogy n ALA 115 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1ogy n ALA 115 Cb 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.44 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 -1.08 5.05 -0.13 0.00 -7.23 -0.59 0.42 120.40 116.84 1ogy s VAL 116 Ca 0.00 0.50 -0.17 0.00 -1.81 0.00 0.00 61.98 60.50 1ogy s VAL 116 Cb 0.00 -3.66 0.04 0.00 0.56 0.00 0.00 36.38 33.32 1ogy s VAL 116 CO 0.00 0.25 0.44 -0.83 -0.31 0.00 0.00 175.10 174.66 1ogy s GLY 117 N -1.81 -0.32 0.16 2.32 0.00 -0.40 -4.66 107.32 102.61 1ogy s GLY 117 Ca 0.35 1.12 0.11 0.00 0.00 0.00 0.00 44.72 46.30 1ogy s GLY 117 CO 0.19 0.92 -0.24 1.06 0.00 0.00 0.00 173.10 175.03 1ogy s MET 118 N -0.13 1.52 -0.34 2.90 -1.94 -0.55 -1.50 119.30 119.26 1ogy s MET 118 Ca -0.03 -1.43 -0.01 0.00 -1.71 0.00 0.00 55.69 52.51 1ogy s MET 118 Cb -0.03 -1.90 0.11 0.00 2.01 0.00 0.00 34.83 35.02 1ogy s MET 118 CO 0.02 0.42 0.15 0.12 -0.01 0.00 0.00 175.02 175.72 1ogy s PHE 119 N -1.42 1.42 0.00 -0.03 5.36 -0.53 -1.92 117.98 120.85 1ogy s PHE 119 Ca 0.18 -1.73 0.00 0.00 -0.96 0.00 0.00 56.93 54.43 1ogy s PHE 119 Cb -0.09 -1.52 0.00 0.00 -0.34 0.00 0.00 43.02 41.07 1ogy s PHE 119 CO 0.09 -0.85 0.00 0.41 -1.46 0.00 0.00 175.22 173.41 1ogy n GLY 120 N 4.54 0.57 3.36 13.12 0.00 -0.15 -1.11 105.19 125.52 1ogy n GLY 120 Ca 0.01 -1.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.35 0.00 1.61 1.04 -1.25 -1.37 113.70 112.38 1ogy s SER 121 Ca 0.00 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1ogy s SER 121 Cb 0.00 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1ogy s SER 121 CO 0.00 -0.90 0.54 0.61 0.98 0.00 0.00 173.24 174.47 1ogy n GLY 122 N -0.28 0.58 0.07 7.32 0.00 -1.26 -0.51 105.19 111.10 1ogy n GLY 122 Ca -0.16 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.10 3.40 -2.21 1.61 6.02 -1.26 0.07 117.38 124.91 1ogy n GLN 123 Ca 0.00 -0.29 -0.34 0.00 -0.01 0.00 0.00 57.00 56.36 1ogy n GLN 123 Cb 0.14 -0.85 0.00 0.00 1.02 0.00 0.00 30.24 30.55 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 -1.05 2.80 0.65 1.08 0.51 0.33 -4.96 118.94 118.30 1ogy s TRP 124 Ca 0.03 1.55 -0.13 0.00 -2.12 0.00 0.00 56.10 55.43 1ogy s TRP 124 Cb 0.04 -3.16 -0.01 0.00 -0.81 0.00 0.00 33.47 29.52 1ogy s TRP 124 CO 0.14 -1.32 1.06 0.99 -0.51 0.00 0.00 176.95 177.30 1ogy s THR 125 N -2.04 3.95 0.21 2.01 2.01 -1.26 -4.79 115.64 115.74 1ogy s THR 125 Ca 0.69 0.75 -0.14 0.00 0.31 0.00 0.00 61.69 63.30 1ogy s THR 125 Cb -0.20 -3.40 0.23 0.00 0.01 0.00 0.00 72.50 69.14 1ogy s THR 125 CO 0.29 -0.72 1.63 0.40 -0.69 0.00 0.00 174.62 175.54 1ogy h ILE 126 N -0.23 0.39 0.00 1.82 2.04 -1.66 0.26 117.51 120.13 1ogy h ILE 126 Ca -0.45 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1ogy h ILE 126 Cb 1.21 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1ogy h ILE 126 CO 0.57 0.00 0.00 -2.67 0.00 0.00 0.00 178.15 176.05 1ogy n TRP 127 N -5.42 0.17 0.12 1.37 2.14 -1.26 -2.10 117.44 112.46 1ogy n TRP 127 Ca 0.07 0.06 -0.21 0.00 2.07 0.00 0.00 57.50 59.49 1ogy n TRP 127 Cb 0.32 -0.59 -0.15 0.00 -0.81 0.00 0.00 31.31 30.08 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 0.42 0.00 -2.67 5.08 -0.87 -1.69 114.58 114.85 1ogy h GLU 128 Ca 0.00 -0.72 -0.01 0.00 -1.00 0.00 0.00 59.36 57.63 1ogy h GLU 128 Cb 0.43 0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 1ogy h GLU 128 CO 0.00 1.34 -0.02 0.78 -1.00 0.00 0.00 179.01 180.10 1ogy h GLY 129 N 0.78 0.00 0.00 -3.84 0.00 -1.15 -0.88 103.07 97.98 1ogy h GLY 129 Ca -0.23 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1ogy h GLY 129 CO 0.24 0.00 -0.06 -1.82 0.00 0.00 0.00 176.54 174.90 1ogy h TYR 130 N 0.00 0.00 -0.52 5.60 -0.00 -1.43 -1.73 116.97 118.89 1ogy h TYR 130 Ca -0.00 0.00 0.06 0.00 -0.00 0.00 0.00 58.73 58.79 1ogy h TYR 130 Cb 0.81 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 37.51 1ogy h TYR 130 CO 0.00 0.90 0.35 0.00 -0.00 0.00 0.00 178.16 179.41 1ogy h ALA 131 N -0.14 1.89 0.06 1.82 0.00 -1.28 0.15 119.26 121.76 1ogy h ALA 131 Ca -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ogy h ALA 131 Cb 0.89 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1ogy h ALA 131 CO -0.01 0.02 -0.03 0.00 0.00 0.00 0.00 179.25 179.24 1ogy h ALA 132 N 1.72 -0.08 -0.53 0.00 0.00 -1.19 -1.23 119.26 117.94 1ogy h ALA 132 Ca 0.23 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 55.01 1ogy h ALA 132 Cb 0.29 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 1ogy h ALA 132 CO -0.06 -0.32 0.11 1.03 0.00 0.00 0.00 179.25 180.01 1ogy h SER 133 N -0.53 0.00 0.58 0.00 0.87 -0.42 0.62 113.55 114.68 1ogy h SER 133 Ca -0.01 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 1ogy h SER 133 Cb 0.46 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 1ogy h SER 133 CO 0.01 0.03 -0.36 0.50 -0.53 0.00 0.00 176.83 176.47 1ogy h LYS 134 N 0.25 -0.86 -0.70 2.24 3.64 -1.00 -1.58 116.57 118.56 1ogy h LYS 134 Ca 0.27 0.06 0.10 0.00 -1.27 0.00 0.00 60.65 59.81 1ogy h LYS 134 Cb 0.37 0.20 -0.08 0.00 -0.41 0.00 0.00 32.23 32.31 1ogy h LYS 134 CO -0.35 -0.58 0.32 1.25 -2.27 0.00 0.00 179.45 177.83 1ogy h LEU 135 N -0.90 0.39 -0.74 5.20 5.85 -0.55 0.19 115.31 124.76 1ogy h LEU 135 Ca -0.07 0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 1ogy h LEU 135 Cb 0.73 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 1ogy h LEU 135 CO 0.07 0.21 -0.46 0.24 -0.34 0.00 0.00 178.44 178.16 1ogy h MET 136 N 0.54 0.41 0.00 1.25 2.86 -0.81 -1.00 114.93 118.18 1ogy h MET 136 Ca 0.35 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1ogy h MET 136 Cb 0.41 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1ogy h MET 136 CO -0.30 0.78 -0.69 0.54 1.06 0.00 0.00 176.91 178.31 1ogy n ARG 137 N -3.99 0.36 0.26 1.72 1.74 -0.60 0.40 116.66 116.55 1ogy n ARG 137 Ca -0.02 0.14 0.10 0.00 -0.77 0.00 0.00 57.85 57.31 1ogy n ARG 137 Cb 0.53 -1.13 0.69 0.00 -1.02 0.00 0.00 32.46 31.53 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 -1.20 1.57 -3.00 7.54 0.00 -0.81 -1.38 119.26 121.97 1ogy h ALA 138 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1ogy h ALA 138 Cb 0.69 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1ogy h ALA 138 CO 0.00 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.78 1ogy n GLY 139 N -1.06 0.86 0.00 0.00 0.00 -0.94 -4.52 105.19 99.53 1ogy n GLY 139 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.08 0.00 -3.84 1.61 0.99 -0.39 -4.77 117.46 110.97 1ogy n PHE 140 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.45 57.20 1ogy n PHE 140 Cb 0.00 -0.00 0.01 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 -1.00 -4.52 -4.40 -1.08 1.74 -0.52 -4.63 116.66 102.25 1ogy n ARG 141 Ca 0.09 0.54 -0.22 0.00 -0.77 0.00 0.00 57.85 57.50 1ogy n ARG 141 Cb 0.04 -5.07 -0.16 0.00 -1.02 0.00 0.00 32.46 26.25 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 -4.08 1.32 -0.32 0.55 0.15 0.16 -4.73 113.70 106.75 1ogy s SER 142 Ca 0.19 -0.21 0.10 0.00 0.70 0.00 0.00 55.95 56.73 1ogy s SER 142 Cb -0.10 -0.51 0.74 0.00 -1.71 0.00 0.00 66.02 64.43 1ogy s SER 142 CO 0.84 0.03 1.79 0.59 1.20 0.00 0.00 173.24 177.69 1ogy n ASN 143 N 3.65 4.73 -1.68 5.45 3.02 -1.26 -3.64 115.26 125.53 1ogy n ASN 143 Ca -0.22 -3.25 -0.09 0.00 -0.03 0.00 0.00 54.58 50.99 1ogy n ASN 143 Cb 0.52 -0.74 0.03 0.00 -0.61 0.00 0.00 39.78 38.98 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 -0.22 5.62 -4.34 6.41 5.03 -1.26 -2.91 115.26 123.59 1ogy n ASN 144 Ca 0.41 -2.75 -0.38 0.00 0.87 0.00 0.00 54.58 52.73 1ogy n ASN 144 Cb 1.38 -1.02 -0.12 0.00 -1.02 0.00 0.00 39.78 39.00 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 -1.06 4.10 0.09 3.41 2.96 -1.26 -1.48 118.68 125.43 1ogy s LEU 145 Ca 0.18 -0.84 0.04 0.00 -0.22 0.00 0.00 54.13 53.29 1ogy s LEU 145 Cb 0.14 -1.90 -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 1.49 1.52 0.51 3.68 3.68 -0.81 0.17 116.67 126.91 1ogy s ASP 146 Ca 0.02 -0.74 0.07 0.00 2.13 0.00 0.00 52.55 54.02 1ogy s ASP 146 Cb -0.18 -0.01 0.03 0.00 -1.45 0.00 0.00 42.92 41.31 1ogy s ASP 146 CO 0.03 -0.20 0.48 -2.16 0.13 0.00 0.00 175.17 173.46 1ogy s PRO 147 N -2.43 2.35 0.39 4.34 0.04 -1.09 -0.98 135.00 137.62 1ogy s PRO 147 Ca 0.03 -1.79 0.27 0.00 0.04 0.00 0.00 61.00 59.55 1ogy s PRO 147 Cb -0.05 -2.31 0.93 0.00 0.04 0.00 0.00 34.50 33.11 1ogy s PRO 147 CO 0.01 -0.54 1.79 -2.95 0.04 0.00 0.00 177.00 175.35 1ogy h ASN 148 N 0.71 0.00 0.22 6.66 -1.07 -1.57 -2.62 115.58 117.91 1ogy h ASN 148 Ca -0.37 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.00 1ogy h ASN 148 Cb 1.29 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.54 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 -1.95 1.24 0.03 4.14 0.00 -1.26 -0.77 120.51 121.93 1ogy n ALA 149 Ca 0.03 0.11 -0.02 0.00 0.00 0.00 0.00 53.44 53.56 1ogy n ALA 149 Cb 0.36 -1.26 0.25 0.00 0.00 0.00 0.00 19.45 18.80 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 0.45 0.00 0.00 9.65 -1.87 0.21 114.38 122.81 1ogy h ARG 150 Ca 0.00 -0.14 0.00 0.00 -1.10 0.00 0.00 59.98 58.74 1ogy h ARG 150 Cb 0.11 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 1ogy h ARG 150 CO 0.00 0.62 0.00 0.45 2.80 0.00 0.00 179.97 183.84 1ogy h HIS 151 N 0.41 0.00 0.00 2.20 3.86 -1.18 -3.38 115.15 117.05 1ogy h HIS 151 Ca 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1ogy h HIS 151 Cb 0.56 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.03 1ogy h HIS 151 CO 0.02 0.00 -0.27 0.00 0.86 0.00 0.00 177.93 178.54 1ogy n MET 153 N -3.13 1.60 -0.02 0.00 2.81 0.59 -4.67 117.12 114.30 1ogy n MET 153 Ca -0.04 -1.41 -0.13 0.00 -1.81 0.00 0.00 57.70 54.31 1ogy n MET 153 Cb 0.14 -1.35 -0.07 0.00 -0.71 0.00 0.00 33.22 31.23 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 3.53 -0.68 -0.41 3.04 0.00 -1.71 0.16 119.26 123.19 1ogy h ALA 154 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1ogy h ALA 154 Cb 0.73 0.88 -0.09 0.00 0.00 0.00 0.00 17.79 19.31 1ogy h ALA 154 CO 0.00 -0.98 -0.38 0.77 0.00 0.00 0.00 179.25 178.67 1ogy h SER 155 N -0.50 -1.25 -0.37 0.00 0.02 -1.83 0.40 113.55 110.01 1ogy h SER 155 Ca 0.07 0.21 0.02 0.00 -0.84 0.00 0.00 61.79 61.25 1ogy h SER 155 Cb 0.64 0.57 -0.03 0.00 0.14 0.00 0.00 62.40 63.72 1ogy h SER 155 CO -0.44 -0.35 0.20 0.00 -1.14 0.00 0.00 176.83 175.11 1ogy h ALA 156 N 0.60 0.46 -0.44 3.77 0.00 -1.75 -0.85 119.26 121.05 1ogy h ALA 156 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1ogy h ALA 156 Cb 0.56 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1ogy h ALA 156 CO -0.56 -0.15 0.24 0.00 0.00 0.00 0.00 179.25 178.78 1ogy h ALA 157 N 1.18 0.56 -0.04 0.00 0.00 0.00 -0.92 119.26 120.05 1ogy h ALA 157 Ca 0.15 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1ogy h ALA 157 Cb 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1ogy h ALA 157 CO -0.09 0.08 -0.04 1.15 0.00 0.00 0.00 179.25 180.35 1ogy h THR 158 N 0.57 0.88 -0.08 0.00 2.02 0.08 -1.99 112.91 114.39 1ogy h THR 158 Ca 0.15 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.29 1ogy h THR 158 Cb 0.05 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1ogy h THR 158 CO -0.03 0.00 -0.15 0.00 0.37 0.00 0.00 175.52 175.72 1ogy h ALA 159 N 0.98 1.60 0.23 6.16 0.00 -0.97 -2.37 119.26 124.90 1ogy h ALA 159 Ca 0.03 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1ogy h ALA 159 Cb 0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1ogy h ALA 159 CO -0.07 0.29 -0.31 0.74 0.00 0.00 0.00 179.25 179.90 1ogy h PHE 160 N 0.12 -0.82 0.59 0.00 0.05 -0.44 0.33 116.94 116.77 1ogy h PHE 160 Ca 0.02 0.01 -0.02 0.00 3.82 0.00 0.00 57.97 61.80 1ogy h PHE 160 Cb 0.34 0.33 -0.01 0.00 2.00 0.00 0.00 35.95 38.61 1ogy h PHE 160 CO 0.00 -0.43 -0.40 0.52 -0.18 0.00 0.00 178.31 177.83 1ogy h MET 161 N -0.60 -0.91 -0.32 1.51 2.86 -1.18 0.76 114.93 117.04 1ogy h MET 161 Ca 0.00 0.06 0.07 0.00 -2.06 0.00 0.00 59.70 57.78 1ogy h MET 161 Cb 0.57 0.21 -0.08 0.00 0.06 0.00 0.00 31.60 32.36 1ogy h MET 161 CO -0.11 -0.61 -0.23 0.00 1.06 0.00 0.00 176.91 177.02 1ogy h ARG 162 N -0.95 -0.19 0.12 1.72 3.08 -1.21 1.73 114.38 118.67 1ogy h ARG 162 Ca -0.07 0.01 -0.29 0.00 0.07 0.00 0.00 59.98 59.71 1ogy h ARG 162 Cb 0.78 0.04 0.02 0.00 0.08 0.00 0.00 29.97 30.89 1ogy h ARG 162 CO 0.05 -0.13 -1.23 1.79 -1.07 0.00 0.00 179.97 179.39 1ogy h THR 163 N -0.20 1.36 -0.00 2.04 1.35 -0.22 -3.40 112.91 113.84 1ogy h THR 163 Ca 0.16 -2.64 0.00 0.00 -0.55 0.00 0.00 66.41 63.38 1ogy h THR 163 Cb 0.46 2.76 0.00 0.00 -1.73 0.00 0.00 68.15 69.63 1ogy h THR 163 CO -0.44 0.79 -0.15 0.49 -0.25 0.00 0.00 175.52 175.96 1ogy n PHE 164 N -3.71 0.00 -0.91 4.73 3.01 0.26 -2.03 117.46 118.81 1ogy n PHE 164 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.34 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 0.80 0.34 3.36 1.37 0.00 0.59 -3.41 105.19 108.24 1ogy n GLY 165 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.82 0.64 0.79 1.61 -2.45 -1.25 -4.63 119.30 113.19 1ogy s MET 166 Ca 0.00 0.43 -0.12 0.00 -1.25 0.00 0.00 55.69 54.76 1ogy s MET 166 Cb 0.00 0.30 0.07 0.00 1.25 0.00 0.00 34.83 36.46 1ogy s MET 166 CO 0.00 -0.12 1.16 0.34 1.05 0.00 0.00 175.02 177.45 1ogy s ASP 167 N -0.25 4.60 0.39 1.11 2.15 -1.26 -4.20 116.67 119.21 1ogy s ASP 167 Ca -0.04 0.79 0.00 0.00 0.43 0.00 0.00 52.55 53.73 1ogy s ASP 167 Cb -0.03 -1.32 0.00 0.00 -0.30 0.00 0.00 42.92 41.27 1ogy s ASP 167 CO 0.02 -1.84 0.00 -0.62 -0.17 0.00 0.00 175.17 172.57 1ogy n GLU 168 N -3.27 -2.44 -0.71 4.34 -0.58 -1.26 -4.97 120.64 111.75 1ogy n GLU 168 Ca 0.08 1.93 -0.31 0.00 -0.42 0.00 0.00 57.16 58.44 1ogy n GLU 168 Cb 0.61 -2.55 0.17 0.00 -0.57 0.00 0.00 31.44 29.10 1ogy n GLU 168 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 1ogy s PRO 169 N -4.46 0.83 0.00 3.49 0.02 -1.26 -4.97 135.00 128.64 1ogy s PRO 169 Ca 0.00 1.43 0.18 0.00 0.02 0.00 0.00 61.00 62.63 1ogy s PRO 169 Cb 0.00 -1.71 -0.18 0.00 0.02 0.00 0.00 34.50 32.63 1ogy s PRO 169 CO 0.00 -2.72 0.79 0.00 -0.33 0.00 0.00 177.00 174.74 1ogy n MET 170 N -4.29 1.04 -0.19 5.54 0.00 -1.26 -4.84 117.12 113.12 1ogy n MET 170 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 57.70 57.71 1ogy n MET 170 Cb 0.52 -1.36 0.00 0.00 0.00 0.00 0.00 33.22 32.38 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 1.41 3.05 3.67 3.17 0.00 -1.26 -0.79 105.19 114.45 1ogy n GLY 171 Ca 0.04 -2.06 -0.06 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.03 0.00 0.99 -1.95 0.24 116.97 118.22 1ogy h TYR 173 Ca -0.24 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.50 1ogy h TYR 173 Cb 1.24 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.97 1ogy h TYR 173 CO 0.34 0.00 0.15 -0.44 -0.00 0.00 0.00 178.16 178.21 1ogy h ASP 174 N 0.00 0.00 -0.32 3.88 5.19 -1.98 -0.38 116.42 122.81 1ogy h ASP 174 Ca 0.18 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.50 1ogy h ASP 174 Cb 1.42 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.91 1ogy h ASP 174 CO -0.00 0.00 -0.10 0.44 -3.12 0.00 0.00 179.24 176.46 1ogy h ASP 175 N 0.00 0.72 -1.06 6.45 3.32 -0.90 -3.05 116.42 121.90 1ogy h ASP 175 Ca 0.02 -0.21 0.29 0.00 0.02 0.00 0.00 57.03 57.15 1ogy h ASP 175 Cb 0.31 -0.19 -0.12 0.00 0.22 0.00 0.00 39.33 39.55 1ogy h ASP 175 CO -0.00 0.85 0.66 -0.26 -1.72 0.00 0.00 179.24 178.77 1ogy h PHE 176 N 0.67 0.78 0.00 4.55 -1.00 -1.27 0.38 116.94 121.06 1ogy h PHE 176 Ca 0.12 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.93 1ogy h PHE 176 Cb 0.56 -0.22 0.00 0.00 3.61 0.00 0.00 35.95 39.90 1ogy h PHE 176 CO 0.03 -0.02 -0.48 0.93 -1.61 0.00 0.00 178.31 177.15 1ogy h GLU 177 N 0.39 0.00 0.00 1.51 3.07 -1.70 -3.37 114.58 114.48 1ogy h GLU 177 Ca 0.67 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 59.37 1ogy h GLU 177 Cb 1.62 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.50 1ogy h GLU 177 CO -0.42 0.00 -2.07 0.00 -1.40 0.00 0.00 179.01 175.12 1ogy n ALA 178 N -1.86 2.18 -0.90 3.43 0.00 0.68 -5.03 120.51 119.02 1ogy n ALA 178 Ca 0.04 -0.82 -0.33 0.00 0.00 0.00 0.00 53.44 52.32 1ogy n ALA 178 Cb 0.45 -0.43 0.12 0.00 0.00 0.00 0.00 19.45 19.59 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 -2.42 -1.83 0.34 0.00 0.00 0.10 -4.49 120.51 112.21 1ogy n ALA 179 Ca -0.16 -0.50 0.04 0.00 0.00 0.00 0.00 53.44 52.82 1ogy n ALA 179 Cb 0.79 -1.92 -0.06 0.00 0.00 0.00 0.00 19.45 18.26 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 -1.82 0.91 0.00 0.00 8.00 -0.43 -4.94 116.55 118.27 1ogy n ASP 180 Ca 0.09 -0.57 0.00 0.00 0.71 0.00 0.00 54.79 55.02 1ogy n ASP 180 Cb 0.52 1.08 0.00 0.00 -0.02 0.00 0.00 41.12 42.71 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 -1.33 0.00 -2.80 2.24 0.00 -1.07 -3.06 120.51 114.49 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 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.98 3.11 -0.18 0.00 0.40 0.03 -2.08 117.98 118.27 1ogy s PHE 182 Ca 0.00 -0.02 0.00 0.00 -0.60 0.00 0.00 56.93 56.31 1ogy s PHE 182 Cb 0.00 -1.89 0.01 0.00 0.51 0.00 0.00 43.02 41.65 1ogy s PHE 182 CO 0.00 0.22 -0.17 0.08 0.70 0.00 0.00 175.22 176.05 1ogy s VAL 183 N -0.21 2.38 -0.63 -0.44 1.01 -0.98 0.03 120.40 121.56 1ogy s VAL 183 Ca 0.05 -0.84 -0.13 0.00 0.00 0.00 0.00 61.98 61.06 1ogy s VAL 183 Cb -0.13 -2.01 0.16 0.00 0.00 0.00 0.00 36.38 34.40 1ogy s VAL 183 CO 0.02 0.52 0.55 -0.76 0.00 0.00 0.00 175.10 175.43 1ogy s LEU 184 N 1.21 6.19 -1.16 3.92 1.02 0.12 -0.68 118.68 129.30 1ogy s LEU 184 Ca 0.03 -2.21 -0.18 0.00 0.02 0.00 0.00 54.13 51.78 1ogy s LEU 184 Cb -0.14 -2.14 -0.04 0.00 0.02 0.00 0.00 46.19 43.90 1ogy s LEU 184 CO -0.08 -0.69 2.01 0.79 0.02 0.00 0.00 176.35 178.40 1ogy n TRP 185 N 4.60 3.05 -1.00 0.29 7.02 0.19 -1.62 117.44 129.97 1ogy n TRP 185 Ca -0.02 -2.36 -0.00 0.00 -1.02 0.00 0.00 57.50 54.10 1ogy n TRP 185 Cb 0.42 -2.29 -0.00 0.00 -2.42 0.00 0.00 31.31 27.02 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 4.67 0.42 3.92 6.99 0.00 0.01 -4.47 105.19 116.72 1ogy n GLY 186 Ca 0.50 -0.80 -0.26 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.73 5.60 -0.35 1.61 0.01 -1.26 -4.27 113.70 112.32 1ogy s SER 187 Ca 0.00 0.70 0.15 0.00 1.31 0.00 0.00 55.95 58.11 1ogy s SER 187 Cb 0.00 -1.70 0.42 0.00 0.21 0.00 0.00 66.02 64.95 1ogy s SER 187 CO 0.00 -1.05 0.87 -3.20 0.41 0.00 0.00 173.24 170.27 1ogy n ASN 188 N -2.56 1.35 -0.32 2.44 4.05 -1.26 -4.93 115.26 114.03 1ogy n ASN 188 Ca 0.04 -2.87 0.14 0.00 0.45 0.00 0.00 54.58 52.34 1ogy n ASN 188 Cb 0.58 -0.56 0.32 0.00 1.23 0.00 0.00 39.78 41.34 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 2.99 0.48 -1.31 1.20 2.86 -1.93 0.33 114.93 119.55 1ogy h MET 189 Ca -0.01 -0.03 0.41 0.00 -2.06 0.00 0.00 59.70 58.02 1ogy h MET 189 Cb 1.08 -0.11 -0.12 0.00 0.06 0.00 0.00 31.60 32.52 1ogy h MET 189 CO 0.51 0.32 0.86 0.00 1.06 0.00 0.00 176.91 179.66 1ogy h ALA 190 N 1.69 2.74 0.00 6.32 0.00 -1.90 0.47 119.26 128.59 1ogy h ALA 190 Ca 0.58 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.56 1ogy h ALA 190 Cb 1.06 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1ogy h ALA 190 CO -0.49 -1.32 -1.32 0.39 0.00 0.00 0.00 179.25 176.51 1ogy n GLU 191 N -4.62 0.58 -0.01 0.00 1.02 -0.36 -4.48 120.64 112.78 1ogy n GLU 191 Ca 0.35 -0.05 0.07 0.00 -0.02 0.00 0.00 57.16 57.52 1ogy n GLU 191 Cb 1.38 -1.16 -0.11 0.00 -0.02 0.00 0.00 31.44 31.53 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 -1.80 0.86 -3.08 3.49 2.81 -0.04 -4.19 117.12 115.18 1ogy n MET 192 Ca -0.02 -0.11 -0.16 0.00 -1.81 0.00 0.00 57.70 55.60 1ogy n MET 192 Cb 0.24 -1.32 -0.00 0.00 -0.71 0.00 0.00 33.22 31.43 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 -1.87 -0.63 -0.09 2.03 8.25 0.09 -4.84 115.22 118.17 1ogy n HIS 193 Ca -0.01 -3.37 -0.06 0.00 -0.26 0.00 0.00 57.72 54.01 1ogy n HIS 193 Cb 0.36 0.10 0.00 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 3.09 -0.13 0.00 -0.41 0.11 -1.68 0.14 132.00 133.12 1ogy h PRO 194 Ca 0.05 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 1ogy h PRO 194 Cb 1.00 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1ogy h PRO 194 CO 0.41 -0.09 -0.04 0.82 -0.21 0.00 0.00 178.00 178.89 1ogy h ILE 195 N -0.13 0.14 0.14 4.15 1.08 -1.91 0.65 117.51 121.61 1ogy h ILE 195 Ca 0.17 -0.50 -0.27 0.00 -0.39 0.00 0.00 64.86 63.88 1ogy h ILE 195 Cb 0.40 1.43 0.03 0.00 -3.07 0.00 0.00 36.82 35.61 1ogy h ILE 195 CO -0.43 0.04 -1.13 -0.07 -0.69 0.00 0.00 178.15 175.87 1ogy h LEU 196 N 0.00 0.76 -1.53 1.44 3.38 -1.63 -1.56 115.31 116.17 1ogy h LEU 196 Ca -0.00 -0.86 -0.04 0.00 0.09 0.00 0.00 57.88 57.07 1ogy h LEU 196 Cb 0.43 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1ogy h LEU 196 CO 0.01 1.55 -0.13 -0.25 0.09 0.00 0.00 178.44 179.70 1ogy h TRP 197 N 0.08 0.14 -0.40 1.13 2.91 0.39 0.17 115.95 120.37 1ogy h TRP 197 Ca -0.18 -0.01 -0.15 0.00 1.13 0.00 0.00 58.89 59.68 1ogy h TRP 197 Cb 1.84 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 30.44 1ogy h TRP 197 CO 0.14 0.27 -0.32 1.03 -1.03 0.00 0.00 178.44 178.53 1ogy h SER 198 N 0.13 0.98 -0.26 2.65 0.87 0.35 0.54 113.55 118.80 1ogy h SER 198 Ca 0.03 -0.44 -0.08 0.00 -1.23 0.00 0.00 61.79 60.06 1ogy h SER 198 Cb 0.32 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 1ogy h SER 198 CO 0.02 1.21 -0.11 -0.09 -0.53 0.00 0.00 176.83 177.33 1ogy h ARG 199 N 0.75 0.67 -0.13 2.24 2.43 -0.01 -1.14 114.38 119.19 1ogy h ARG 199 Ca 0.07 -0.21 -0.22 0.00 -0.81 0.00 0.00 59.98 58.82 1ogy h ARG 199 Cb 0.91 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 30.41 1ogy h ARG 199 CO 0.08 0.76 -0.77 1.25 -1.51 0.00 0.00 179.97 179.79 1ogy h LEU 200 N 0.61 0.90 -0.87 3.80 5.85 -0.54 -3.03 115.31 122.04 1ogy h LEU 200 Ca 0.11 -0.64 -0.06 0.00 0.84 0.00 0.00 57.88 58.12 1ogy h LEU 200 Cb 0.55 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1ogy h LEU 200 CO 0.03 1.40 0.15 0.74 -0.34 0.00 0.00 178.44 180.42 1ogy h THR 201 N 0.47 1.25 -0.63 1.05 2.02 -0.73 -0.96 112.91 115.37 1ogy h THR 201 Ca -0.06 -0.91 -0.03 0.00 0.77 0.00 0.00 66.41 66.18 1ogy h THR 201 Cb 1.40 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 68.39 1ogy h THR 201 CO 0.16 0.34 0.29 -0.78 0.37 0.00 0.00 175.52 175.90 1ogy h ASP 202 N 0.94 0.82 -0.07 4.18 3.58 -1.19 0.65 116.42 125.33 1ogy h ASP 202 Ca 0.20 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.54 1ogy h ASP 202 Cb 0.34 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.18 1ogy h ASP 202 CO 0.00 0.71 -0.04 -0.09 -2.88 0.00 0.00 179.24 176.94 1ogy h ARG 203 N 0.90 0.14 0.20 0.28 9.65 -1.29 -1.07 114.38 123.19 1ogy h ARG 203 Ca 0.22 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 59.02 1ogy h ARG 203 Cb 0.12 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 1ogy h ARG 203 CO -0.03 0.54 -0.10 -0.09 2.80 0.00 0.00 179.97 183.10 1ogy h ARG 204 N -0.25 -0.26 0.00 0.20 9.65 -0.89 -1.87 114.38 120.96 1ogy h ARG 204 Ca 0.01 0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 58.84 1ogy h ARG 204 Cb 0.50 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.13 1ogy h ARG 204 CO 0.01 -0.09 -0.33 -0.07 2.80 0.00 0.00 179.97 182.29 1ogy h LEU 205 N -0.37 0.00 0.00 3.80 4.07 -0.95 -3.18 115.31 118.68 1ogy h LEU 205 Ca -0.03 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.75 1ogy h LEU 205 Cb 0.29 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.00 1ogy h LEU 205 CO 0.04 0.33 -1.00 0.28 -1.08 0.00 0.00 178.44 177.01 1ogy h SER 206 N 0.00 0.00 -3.44 -0.43 0.02 -1.09 -3.41 113.55 105.20 1ogy h SER 206 Ca -0.00 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.33 1ogy h SER 206 Cb 0.82 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.96 1ogy h SER 206 CO 0.04 0.81 -0.74 -1.00 -1.14 0.00 0.00 176.83 174.80 1ogy s HIS 207 N -2.79 2.56 -1.48 3.45 3.76 -0.71 -5.00 115.29 115.07 1ogy s HIS 207 Ca 0.01 -2.34 0.03 0.00 -0.15 0.00 0.00 55.06 52.61 1ogy s HIS 207 Cb 0.09 -2.23 0.14 0.00 1.11 0.00 0.00 32.58 31.69 1ogy s HIS 207 CO 0.80 -0.89 0.88 0.39 -0.85 0.00 0.00 174.74 175.07 1ogy n GLU 208 N 4.42 0.04 0.21 1.40 -0.58 -1.25 -1.72 120.64 123.16 1ogy n GLU 208 Ca 0.02 0.24 0.11 0.00 -0.42 0.00 0.00 57.16 57.11 1ogy n GLU 208 Cb 0.41 -1.50 0.17 0.00 -0.57 0.00 0.00 31.44 29.94 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 -1.95 -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 0.02 0.00 0.05 0.00 2.57 0.00 0.00 27.41 30.06 1ogy h HIS 209 CO 0.00 0.05 0.53 0.08 -3.07 0.00 0.00 177.93 175.52 1ogy s VAL 210 N -3.20 3.07 -0.04 6.12 1.01 -0.70 -4.98 120.40 121.69 1ogy s VAL 210 Ca 0.07 0.95 0.04 0.00 0.00 0.00 0.00 61.98 63.04 1ogy s VAL 210 Cb 0.05 -3.56 -0.00 0.00 0.00 0.00 0.00 36.38 32.87 1ogy s VAL 210 CO 0.67 0.13 -0.15 -0.13 0.00 0.00 0.00 175.10 175.62 1ogy s ARG 211 N -2.11 1.57 -0.08 2.72 1.81 -1.17 -4.97 118.95 116.72 1ogy s ARG 211 Ca 0.54 -0.55 0.01 0.00 -1.72 0.00 0.00 55.73 54.02 1ogy s ARG 211 Cb -0.33 -1.40 -0.02 0.00 -0.45 0.00 0.00 34.95 32.75 1ogy s ARG 211 CO 0.42 0.23 -0.11 0.08 -0.68 0.00 0.00 175.30 175.24 1ogy s VAL 212 N 0.03 3.27 -0.10 3.52 1.01 -1.26 -0.79 120.40 126.08 1ogy s VAL 212 Ca -0.03 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1ogy s VAL 212 Cb -0.10 -2.33 0.02 0.00 0.00 0.00 0.00 36.38 33.97 1ogy s VAL 212 CO 0.02 0.57 -0.09 0.00 0.00 0.00 0.00 175.10 175.59 1ogy s ALA 213 N -0.39 1.32 -0.10 5.51 0.00 0.10 -0.10 121.76 128.11 1ogy s ALA 213 Ca 0.05 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 51.51 1ogy s ALA 213 Cb -0.12 -0.82 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 1ogy s ALA 213 CO 0.02 -0.26 -0.19 0.08 0.00 0.00 0.00 175.76 175.40 1ogy s VAL 214 N 1.40 2.50 -0.02 0.00 1.01 -1.11 -0.70 120.40 123.47 1ogy s VAL 214 Ca -0.01 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.13 1ogy s VAL 214 Cb -0.13 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 1ogy s VAL 214 CO -0.05 0.55 -0.08 -0.76 0.00 0.00 0.00 175.10 174.76 1ogy s LEU 215 N 0.19 3.09 0.21 3.92 1.02 -0.64 -2.01 118.68 124.45 1ogy s LEU 215 Ca -0.12 -0.13 -0.21 0.00 0.02 0.00 0.00 54.13 53.70 1ogy s LEU 215 Cb -0.16 -1.73 0.04 0.00 0.02 0.00 0.00 46.19 44.36 1ogy s LEU 215 CO 0.06 0.31 0.61 -0.55 0.02 0.00 0.00 176.35 176.81 1ogy s SER 216 N -1.15 -0.37 0.12 2.29 0.15 -0.11 -0.81 113.70 113.81 1ogy s SER 216 Ca 0.15 -0.34 0.05 0.00 0.70 0.00 0.00 55.95 56.51 1ogy s SER 216 Cb -0.11 0.63 -0.18 0.00 -1.71 0.00 0.00 66.02 64.66 1ogy s SER 216 CO 0.05 -1.11 1.28 0.74 1.20 0.00 0.00 173.24 175.40 1ogy h THR 217 N 2.06 1.66 -4.31 6.45 2.02 -1.88 -2.32 112.91 116.60 1ogy h THR 217 Ca -0.28 -3.25 -0.17 0.00 0.77 0.00 0.00 66.41 63.48 1ogy h THR 217 Cb 1.28 2.80 -0.14 0.00 -1.74 0.00 0.00 68.15 70.34 1ogy h THR 217 CO 0.33 0.93 -0.57 0.72 0.37 0.00 0.00 175.52 177.30 1ogy s PHE 218 N -2.78 0.76 -0.22 3.16 -0.71 -1.26 -4.71 117.98 112.22 1ogy s PHE 218 Ca -0.00 -1.13 -0.23 0.00 -1.04 0.00 0.00 56.93 54.52 1ogy s PHE 218 Cb 0.10 -0.39 -0.01 0.00 -1.21 0.00 0.00 43.02 41.51 1ogy s PHE 218 CO 0.83 -0.57 0.76 0.99 -1.34 0.00 0.00 175.22 175.89 1ogy s THR 219 N -4.03 4.90 0.30 -4.49 2.01 -0.93 -4.95 115.64 108.45 1ogy s THR 219 Ca 0.23 1.45 0.04 0.00 0.31 0.00 0.00 61.69 63.71 1ogy s THR 219 Cb 0.07 -4.06 -0.01 0.00 0.01 0.00 0.00 72.50 68.50 1ogy s THR 219 CO 0.01 0.00 0.14 0.00 -0.69 0.00 0.00 174.62 174.08 1ogy n HIS 220 N 5.58 -0.07 0.16 4.92 1.44 -1.26 0.43 115.22 126.41 1ogy n HIS 220 Ca 0.03 -2.02 0.18 0.00 -2.01 0.00 0.00 57.72 53.90 1ogy n HIS 220 Cb 0.48 0.05 0.72 0.00 0.12 0.00 0.00 29.99 31.37 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 -1.97 -2.18 114.38 112.05 1ogy h ARG 221 Ca -0.23 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.52 1ogy h ARG 221 Cb 0.92 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.00 1ogy h ARG 221 CO 0.35 0.00 -1.25 0.77 -1.07 0.00 0.00 179.97 178.77 1ogy h SER 222 N 0.00 0.87 0.00 7.04 0.02 -1.91 -3.10 113.55 116.47 1ogy h SER 222 Ca 0.14 -0.83 0.00 0.00 -0.84 0.00 0.00 61.79 60.26 1ogy h SER 222 Cb 1.10 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.37 1ogy h SER 222 CO -0.00 1.62 0.00 -1.54 -1.14 0.00 0.00 176.83 175.77 1ogy n SER 223 N -3.80 2.15 -0.04 3.07 3.41 -0.82 -2.36 113.62 115.22 1ogy n SER 223 Ca -0.14 -1.79 0.11 0.00 -0.26 0.00 0.00 58.87 56.79 1ogy n SER 223 Cb 0.99 -0.45 0.08 0.00 -0.26 0.00 0.00 64.21 64.57 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 0.40 0.84 -0.45 4.04 8.00 -1.17 -3.86 116.55 124.34 1ogy n ASP 224 Ca 0.00 -0.69 0.05 0.00 0.71 0.00 0.00 54.79 54.87 1ogy n ASP 224 Cb 0.38 0.58 0.06 0.00 -0.02 0.00 0.00 41.12 42.12 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 -1.36 2.01 -4.76 0.64 7.94 -1.00 -5.04 117.00 115.43 1ogy n LEU 225 Ca 0.05 -1.13 -0.39 0.00 -1.11 0.00 0.00 56.01 53.44 1ogy n LEU 225 Cb 0.34 -0.03 -0.06 0.00 0.53 0.00 0.00 43.42 44.20 1ogy n LEU 225 CO 0.38 0.41 0.66 -0.44 -1.11 0.00 0.00 177.39 177.28 1ogy s SER 226 N -0.90 7.53 -0.05 1.96 0.01 -1.25 -4.75 113.70 116.24 1ogy s SER 226 Ca 0.14 1.94 0.19 0.00 1.31 0.00 0.00 55.95 59.52 1ogy s SER 226 Cb 0.09 -2.60 -0.23 0.00 0.21 0.00 0.00 66.02 63.49 1ogy s SER 226 CO 0.14 0.07 0.47 0.47 0.41 0.00 0.00 173.24 174.79 1ogy n ASP 227 N 1.19 0.33 -3.73 2.44 8.00 0.86 -4.56 116.55 121.08 1ogy n ASP 227 Ca -0.01 0.14 -0.28 0.00 0.71 0.00 0.00 54.79 55.35 1ogy n ASP 227 Cb 0.48 0.96 -0.12 0.00 -0.02 0.00 0.00 41.12 42.42 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 -2.94 1.91 -0.47 -3.53 2.01 -0.91 -5.02 115.64 106.69 1ogy s THR 228 Ca -0.07 -3.49 -0.26 0.00 0.31 0.00 0.00 61.69 58.18 1ogy s THR 228 Cb 0.09 -2.28 0.03 0.00 0.01 0.00 0.00 72.50 70.35 1ogy s THR 228 CO 0.84 -1.04 0.98 -2.16 -0.69 0.00 0.00 174.62 172.55 1ogy s PRO 229 N -0.67 3.57 -0.16 4.92 0.04 -1.26 -2.76 135.00 138.69 1ogy s PRO 229 Ca 0.26 0.25 -0.00 0.00 0.04 0.00 0.00 61.00 61.55 1ogy s PRO 229 Cb -0.06 -3.93 -0.00 0.00 0.04 0.00 0.00 34.50 30.55 1ogy s PRO 229 CO -0.14 -1.28 -0.14 0.42 0.04 0.00 0.00 177.00 175.90 1ogy s ILE 230 N 3.95 2.74 -0.31 0.56 1.01 -0.85 -5.03 121.20 123.27 1ogy s ILE 230 Ca 0.40 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 60.30 1ogy s ILE 230 Cb -0.09 -2.16 0.07 0.00 0.01 0.00 0.00 42.46 40.28 1ogy s ILE 230 CO 0.28 0.51 -0.00 -0.63 0.00 0.00 0.00 174.94 175.10 1ogy s ILE 231 N 0.81 2.71 0.59 2.92 1.01 -1.26 -0.94 121.20 127.05 1ogy s ILE 231 Ca -0.05 -1.64 0.10 0.00 0.00 0.00 0.00 60.65 59.05 1ogy s ILE 231 Cb -0.15 -2.65 0.09 0.00 0.01 0.00 0.00 42.46 39.76 1ogy s ILE 231 CO 0.00 -0.21 0.80 0.72 0.00 0.00 0.00 174.94 176.26 1ogy s PHE 232 N 1.16 1.24 0.08 3.97 -0.12 -0.87 -4.57 117.98 118.87 1ogy s PHE 232 Ca -0.03 -0.77 -0.23 0.00 -0.05 0.00 0.00 56.93 55.85 1ogy s PHE 232 Cb -0.20 -2.17 -0.06 0.00 -0.63 0.00 0.00 43.02 39.95 1ogy s PHE 232 CO -0.03 -1.22 0.71 0.50 -0.05 0.00 0.00 175.22 175.12 1ogy s ARG 233 N -4.69 4.44 -0.24 1.99 3.52 -1.07 -4.54 118.95 118.36 1ogy s ARG 233 Ca 0.61 0.98 -0.42 0.00 -0.13 0.00 0.00 55.73 56.78 1ogy s ARG 233 Cb -0.05 -3.31 -0.18 0.00 -1.56 0.00 0.00 34.95 29.86 1ogy s ARG 233 CO 0.39 0.45 1.53 -2.30 -0.81 0.00 0.00 175.30 174.56 1ogy n PRO 234 N 2.22 0.64 0.00 5.12 -0.02 -1.26 -0.06 135.00 141.64 1ogy n PRO 234 Ca -0.06 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1ogy n PRO 234 Cb 0.50 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 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 3.44 2.75 0.00 -1.23 0.00 -1.26 -4.86 105.19 104.03 1ogy n GLY 235 Ca 0.25 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.41 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 0.21 2.61 -2.24 0.91 -3.53 114.28 110.24 1ogy n THR 236 Ca 0.00 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.89 1ogy n THR 236 Cb 0.00 -0.48 0.68 0.00 -2.10 0.00 0.00 70.33 68.43 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 -0.46 3.42 3.04 -1.89 -1.87 116.42 118.66 1ogy h ASP 237 Ca 0.00 0.00 0.08 0.00 -3.24 0.00 0.00 57.03 53.87 1ogy h ASP 237 Cb 0.00 0.00 -0.07 0.00 -1.04 0.00 0.00 39.33 38.22 1ogy h ASP 237 CO 0.00 0.00 0.07 0.03 -2.04 0.00 0.00 179.24 177.30 1ogy h ARG 238 N 0.00 0.19 -0.00 4.15 3.08 -1.95 -0.71 114.38 119.13 1ogy h ARG 238 Ca 0.05 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1ogy h ARG 238 Cb 0.22 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1ogy h ARG 238 CO -0.00 0.13 0.00 0.00 -1.07 0.00 0.00 179.97 179.03 1ogy h ALA 239 N 1.37 0.00 -0.53 0.04 0.00 -1.62 -2.83 119.26 115.69 1ogy h ALA 239 Ca 0.23 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.17 1ogy h ALA 239 Cb 0.31 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 1ogy h ALA 239 CO -0.32 -0.43 0.09 0.82 0.00 0.00 0.00 179.25 179.41 1ogy h ILE 240 N -0.12 0.68 -0.59 0.00 2.04 -1.28 -0.72 117.51 117.52 1ogy h ILE 240 Ca 0.00 -0.08 0.10 0.00 1.00 0.00 0.00 64.86 65.89 1ogy h ILE 240 Cb 0.13 0.43 -0.08 0.00 -0.74 0.00 0.00 36.82 36.56 1ogy h ILE 240 CO -0.00 0.04 0.15 -0.07 0.00 0.00 0.00 178.15 178.27 1ogy h LEU 241 N 0.23 0.06 -0.32 1.44 3.38 -1.03 -1.81 115.31 117.26 1ogy h LEU 241 Ca 0.27 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.30 1ogy h LEU 241 Cb 0.38 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1ogy h LEU 241 CO -0.36 0.04 0.04 0.78 0.09 0.00 0.00 178.44 179.03 1ogy h ASN 242 N 0.29 0.52 -0.58 -0.43 -0.26 -1.07 -2.43 115.58 111.63 1ogy h ASN 242 Ca 0.31 -0.27 0.12 0.00 -0.56 0.00 0.00 56.30 55.89 1ogy h ASN 242 Cb 0.43 -0.14 -0.11 0.00 -1.06 0.00 0.00 38.32 37.44 1ogy h ASN 242 CO -0.37 0.66 -0.16 0.22 -1.06 0.00 0.00 177.43 176.73 1ogy h TYR 243 N 0.36 -0.36 -0.90 1.19 3.20 -0.36 0.30 116.97 120.39 1ogy h TYR 243 Ca 0.10 0.05 0.06 0.00 3.14 0.00 0.00 58.73 62.08 1ogy h TYR 243 Cb 0.37 0.25 -0.06 0.00 1.54 0.00 0.00 36.73 38.83 1ogy h TYR 243 CO 0.03 -0.26 0.59 0.82 -1.64 0.00 0.00 178.16 177.69 1ogy h ILE 244 N -0.02 1.08 0.15 1.81 2.04 -1.14 0.68 117.51 122.12 1ogy h ILE 244 Ca 0.28 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1ogy h ILE 244 Cb 0.44 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1ogy h ILE 244 CO -0.61 0.19 -0.07 0.00 0.00 0.00 0.00 178.15 177.66 1ogy h ALA 245 N 1.50 -0.21 -0.66 1.87 0.00 -0.14 0.82 119.26 122.44 1ogy h ALA 245 Ca 0.38 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.30 1ogy h ALA 245 Cb 0.17 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1ogy h ALA 245 CO -0.14 -0.59 0.33 1.25 0.00 0.00 0.00 179.25 180.10 1ogy h HIS 246 N -0.27 0.59 -0.45 0.00 -0.00 0.10 -1.38 115.15 113.75 1ogy h HIS 246 Ca -0.02 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.31 1ogy h HIS 246 Cb 0.21 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.43 1ogy h HIS 246 CO -0.05 0.23 -0.00 1.25 -0.00 0.00 0.00 177.93 179.36 1ogy h HIS 247 N 0.58 0.77 -0.33 5.26 6.17 0.79 0.20 115.15 128.60 1ogy h HIS 247 Ca 0.32 -0.10 -0.02 0.00 0.71 0.00 0.00 60.37 61.27 1ogy h HIS 247 Cb 0.30 -0.21 -0.01 0.00 2.52 0.00 0.00 27.41 30.00 1ogy h HIS 247 CO -0.11 0.73 0.13 0.82 0.71 0.00 0.00 177.93 180.20 1ogy h ILE 248 N 0.69 1.19 0.01 6.26 2.04 0.03 -2.57 117.51 125.16 1ogy h ILE 248 Ca 0.14 -0.58 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 1ogy h ILE 248 Cb 0.43 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1ogy h ILE 248 CO 0.02 0.20 -0.01 0.40 0.00 0.00 0.00 178.15 178.77 1ogy h ILE 249 N 0.38 1.18 -0.98 -0.67 1.08 -0.86 -1.58 117.51 116.07 1ogy h ILE 249 Ca 0.11 -0.58 0.04 0.00 -0.39 0.00 0.00 64.86 64.04 1ogy h ILE 249 Cb 0.20 1.58 -0.06 0.00 -3.07 0.00 0.00 36.82 35.47 1ogy h ILE 249 CO -0.01 0.15 0.64 0.28 -0.69 0.00 0.00 178.15 178.52 1ogy h SER 250 N -0.26 1.05 -0.19 1.72 0.02 -0.62 -1.18 113.55 114.09 1ogy h SER 250 Ca -0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1ogy h SER 250 Cb 0.26 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1ogy h SER 250 CO 0.00 0.71 0.00 0.41 -1.14 0.00 0.00 176.83 176.81 1ogy n THR 251 N -4.45 0.25 -3.61 -2.27 -1.04 -0.97 -4.92 114.28 97.26 1ogy n THR 251 Ca 0.14 -0.28 -0.21 0.00 -2.04 0.00 0.00 64.05 61.66 1ogy n THR 251 Cb 0.12 0.15 0.06 0.00 -1.82 0.00 0.00 70.33 68.84 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 0.93 -0.35 1.50 3.41 0.00 -0.44 -4.93 105.19 105.29 1ogy n GLY 252 Ca 0.11 0.13 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.32 2.72 -2.70 1.61 1.74 -0.60 -5.03 116.66 110.07 1ogy n ARG 253 Ca -0.24 -3.78 -0.32 0.00 -0.77 0.00 0.00 57.85 52.74 1ogy n ARG 253 Cb 0.65 -1.96 -0.05 0.00 -1.02 0.00 0.00 32.46 30.08 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 -3.97 4.51 -0.95 1.55 1.01 -1.26 -4.79 120.40 116.51 1ogy s VAL 254 Ca 0.45 1.25 -0.14 0.00 0.00 0.00 0.00 61.98 63.53 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 -0.01 -0.46 1.00 0.21 0.00 0.00 0.00 175.10 175.84 1ogy s ASN 255 N -2.61 6.86 0.12 3.32 3.84 0.48 -4.89 114.94 122.06 1ogy s ASN 255 Ca 0.59 -2.71 -0.28 0.00 0.21 0.00 0.00 52.86 50.67 1ogy s ASN 255 Cb -0.10 -2.28 -0.07 0.00 -0.55 0.00 0.00 41.25 38.25 1ogy s ASN 255 CO 0.22 -0.67 1.61 0.03 -2.79 0.00 0.00 177.10 175.50 1ogy h ARG 256 N 7.80 -0.50 -1.05 0.43 3.08 -1.94 0.12 114.38 122.32 1ogy h ARG 256 Ca 0.16 0.03 0.29 0.00 0.07 0.00 0.00 59.98 60.53 1ogy h ARG 256 Cb 0.99 0.11 -0.06 0.00 0.08 0.00 0.00 29.97 31.09 1ogy h ARG 256 CO 0.95 -0.33 0.73 -0.44 -1.07 0.00 0.00 179.97 179.80 1ogy h ASP 257 N -0.52 0.16 0.00 7.04 3.32 -1.99 0.51 116.42 124.95 1ogy h ASP 257 Ca 0.05 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 1ogy h ASP 257 Cb 0.58 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 1ogy h ASP 257 CO -0.24 0.04 -0.29 0.15 -1.72 0.00 0.00 179.24 177.18 1ogy h PHE 258 N 0.14 0.00 -0.72 4.55 3.57 -1.72 -2.82 116.94 119.95 1ogy h PHE 258 Ca 0.53 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.98 1ogy h PHE 258 Cb 1.82 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.53 1ogy h PHE 258 CO -0.00 1.02 0.26 0.28 -2.23 0.00 0.00 178.31 177.64 1ogy h VAL 259 N -1.00 1.25 -0.42 1.41 2.07 0.02 0.65 116.25 120.23 1ogy h VAL 259 Ca -0.08 -0.83 -0.06 0.00 0.82 0.00 0.00 66.70 66.55 1ogy h VAL 259 Cb 0.99 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1ogy h VAL 259 CO -0.05 0.33 0.01 0.44 0.02 0.00 0.00 177.57 178.32 1ogy h ASP 260 N 1.05 0.72 0.86 0.57 3.32 -0.16 -2.69 116.42 120.09 1ogy h ASP 260 Ca 0.24 -0.30 -0.22 0.00 0.02 0.00 0.00 57.03 56.76 1ogy h ASP 260 Cb 0.25 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 1ogy h ASP 260 CO -0.01 0.84 -1.21 -0.09 -1.72 0.00 0.00 179.24 177.05 1ogy h ARG 261 N 0.57 0.00 0.00 3.56 2.43 -1.26 -3.40 114.38 116.28 1ogy h ARG 261 Ca 0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1ogy h ARG 261 Cb 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1ogy h ARG 261 CO 0.02 0.75 -0.08 0.72 -1.51 0.00 0.00 179.97 179.87 1ogy n HIS 262 N -3.21 0.00 -4.11 2.20 8.25 0.22 -4.95 115.22 113.62 1ogy n HIS 262 Ca -0.06 -0.69 -0.11 0.00 -0.26 0.00 0.00 57.72 56.60 1ogy n HIS 262 Cb 0.95 -0.11 -0.11 0.00 1.12 0.00 0.00 29.99 31.85 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 -1.91 0.57 0.25 1.59 2.01 -1.01 -1.75 115.64 115.38 1ogy s THR 263 Ca 0.19 -1.50 0.03 0.00 0.31 0.00 0.00 61.69 60.72 1ogy s THR 263 Cb 0.17 -1.12 -0.05 0.00 0.01 0.00 0.00 72.50 71.50 1ogy s THR 263 CO 0.02 -0.64 0.04 0.20 -0.69 0.00 0.00 174.62 173.55 1ogy s ASN 264 N -2.30 1.62 0.48 3.53 0.01 -0.78 -4.86 114.94 112.63 1ogy s ASN 264 Ca 0.00 -1.30 0.02 0.00 -0.71 0.00 0.00 52.86 50.88 1ogy s ASN 264 Cb -0.02 0.06 -0.01 0.00 0.41 0.00 0.00 41.25 41.69 1ogy s ASN 264 CO -0.03 -0.61 0.08 -0.36 -1.51 0.00 0.00 177.10 174.67 1ogy s PHE 265 N -3.55 1.77 -0.11 2.20 0.40 -1.26 -1.17 117.98 116.26 1ogy s PHE 265 Ca 0.33 -1.18 -0.33 0.00 -0.60 0.00 0.00 56.93 55.14 1ogy s PHE 265 Cb 0.07 -1.36 0.14 0.00 0.51 0.00 0.00 43.02 42.38 1ogy s PHE 265 CO 0.11 -0.09 1.36 0.00 0.70 0.00 0.00 175.22 177.30 1ogy s ALA 266 N -3.04 -2.34 -0.03 5.36 0.00 -0.69 -3.71 121.76 117.32 1ogy s ALA 266 Ca 0.12 1.09 0.05 0.00 0.00 0.00 0.00 51.96 53.21 1ogy s ALA 266 Cb 0.01 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 1ogy s ALA 266 CO 0.08 -0.94 -0.18 -0.51 0.00 0.00 0.00 175.76 174.21 1ogy s LEU 267 N -2.77 1.99 0.28 0.00 1.43 -0.84 0.13 118.68 118.90 1ogy s LEU 267 Ca 0.14 -0.34 -0.05 0.00 -1.03 0.00 0.00 54.13 52.84 1ogy s LEU 267 Cb 0.05 -0.96 -0.05 0.00 0.03 0.00 0.00 46.19 45.25 1ogy s LEU 267 CO -0.05 0.20 0.55 -0.83 0.23 0.00 0.00 176.35 176.44 1ogy s GLY 268 N -0.24 1.88 0.23 -3.19 0.00 -0.56 -4.33 107.32 101.12 1ogy s GLY 268 Ca 0.02 -0.56 -0.31 0.00 0.00 0.00 0.00 44.72 43.88 1ogy s GLY 268 CO 0.01 -0.45 1.63 0.00 0.00 0.00 0.00 173.10 174.29 1ogy s ALA 269 N -2.06 3.83 -0.10 3.20 0.00 -1.15 -4.91 121.76 120.56 1ogy s ALA 269 Ca 0.44 1.53 0.14 0.00 0.00 0.00 0.00 51.96 54.07 1ogy s ALA 269 Cb -0.11 -3.66 -0.24 0.00 0.00 0.00 0.00 23.12 19.12 1ogy s ALA 269 CO 0.29 -0.91 0.43 0.25 0.00 0.00 0.00 175.76 175.82 1ogy n THR 270 N 3.24 1.53 -1.31 0.00 -2.24 -1.26 -4.39 114.28 109.85 1ogy n THR 270 Ca 0.12 -0.81 -0.32 0.00 -2.27 0.00 0.00 64.05 60.77 1ogy n THR 270 Cb 0.37 -0.86 0.11 0.00 -2.10 0.00 0.00 70.33 67.85 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 -2.95 6.59 -4.25 3.42 2.03 -1.26 -4.98 116.55 115.15 1ogy n ASP 271 Ca -0.23 -3.74 -0.35 0.00 0.52 0.00 0.00 54.79 50.99 1ogy n ASP 271 Cb 1.09 -0.94 0.08 0.00 -0.72 0.00 0.00 41.12 40.63 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 0.16 -3.59 5.18 5.41 -1.26 -4.17 119.36 120.10 1ogy n ILE 272 Ca 0.62 -0.34 -0.28 0.00 1.00 0.00 0.00 62.75 63.74 1ogy n ILE 272 Cb 0.94 -0.36 -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 0.55 0.00 7.39 0.00 -1.26 -4.90 107.32 107.57 1ogy s GLY 273 Ca 0.51 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 44.24 1ogy s GLY 273 CO 0.73 1.91 0.00 -1.72 0.00 0.00 0.00 173.10 174.02 1ogy n TYR 274 N 5.19 0.00 0.00 1.90 4.02 -1.26 -4.23 117.16 122.78 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 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.76 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 -0.04 0.00 0.00 2.72 0.00 -1.14 -4.34 105.19 102.39 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 -3.78 117.00 112.88 1ogy n LEU 276 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 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 0.29 -0.13 -1.33 0.00 0.00 177.39 176.22 1ogy s ARG 277 N 2.06 4.06 0.17 3.23 0.52 -1.26 -5.01 118.95 122.71 1ogy s ARG 277 Ca 0.00 0.60 -0.31 0.00 -0.52 0.00 0.00 55.73 55.51 1ogy s ARG 277 Cb 0.00 -2.91 -0.08 0.00 0.52 0.00 0.00 34.95 32.48 1ogy s ARG 277 CO 0.00 0.45 1.34 -1.25 0.02 0.00 0.00 175.30 175.86 1ogy s PRO 278 N -1.98 4.36 0.00 3.54 0.04 -1.26 -1.91 135.00 137.79 1ogy s PRO 278 Ca 0.39 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.50 1ogy s PRO 278 Cb -0.15 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1ogy s PRO 278 CO 0.20 -0.33 0.00 0.39 0.04 0.00 0.00 177.00 177.29 1ogy n GLU 279 N 3.15 0.00 -2.18 4.56 1.02 -1.26 -5.08 120.64 120.85 1ogy n GLU 279 Ca 0.08 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.82 1ogy n GLU 279 Cb 0.43 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 3.15 0.14 -0.32 2.46 -0.80 -4.93 115.29 114.98 1ogy s HIS 280 Ca 0.00 1.44 -0.26 0.00 0.47 0.00 0.00 55.06 56.71 1ogy s HIS 280 Cb 0.00 -3.62 -0.02 0.00 -0.13 0.00 0.00 32.58 28.81 1ogy s HIS 280 CO 0.00 -1.67 1.60 1.96 -2.47 0.00 0.00 174.74 174.16 1ogy h GLN 281 N 3.62 -0.40 -1.71 2.88 4.20 -1.98 -2.53 115.11 119.19 1ogy h GLN 281 Ca -0.48 0.03 0.50 0.00 0.06 0.00 0.00 58.65 58.75 1ogy h GLN 281 Cb 1.22 0.09 -0.08 0.00 0.30 0.00 0.00 27.48 29.02 1ogy h GLN 281 CO 0.67 -0.26 1.22 -0.07 -0.67 0.00 0.00 178.83 179.71 1ogy h LEU 282 N -0.41 0.02 0.21 1.46 3.38 -1.95 0.21 115.31 118.24 1ogy h LEU 282 Ca 0.09 0.01 -0.33 0.00 0.09 0.00 0.00 57.88 57.75 1ogy h LEU 282 Cb 0.56 0.01 0.02 0.00 0.09 0.00 0.00 40.66 41.35 1ogy h LEU 282 CO -0.36 -0.02 -1.55 1.56 0.09 0.00 0.00 178.44 178.16 1ogy h GLN 283 N 0.01 0.45 -0.17 1.13 4.20 -1.76 -2.65 115.11 116.32 1ogy h GLN 283 Ca 0.83 -0.77 0.01 0.00 0.06 0.00 0.00 58.65 58.78 1ogy h GLN 283 Cb 3.26 0.29 -0.01 0.00 0.30 0.00 0.00 27.48 31.32 1ogy h GLN 283 CO -0.05 1.37 0.08 -0.07 -0.67 0.00 0.00 178.83 179.49 1ogy h LEU 284 N 0.07 0.11 -2.06 1.46 3.38 -0.60 -0.32 115.31 117.35 1ogy h LEU 284 Ca -0.29 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 1ogy h LEU 284 Cb 2.08 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.82 1ogy h LEU 284 CO 0.21 0.09 -0.08 0.00 0.09 0.00 0.00 178.44 178.75 1ogy h ALA 285 N 1.09 1.48 0.00 1.53 0.00 -1.42 -3.36 119.26 118.57 1ogy h ALA 285 Ca 0.07 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1ogy h ALA 285 Cb 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1ogy h ALA 285 CO -0.05 0.11 1.03 0.00 0.00 0.00 0.00 179.25 180.33 1ogy n ALA 286 N -2.35 3.17 -1.42 0.00 0.00 -0.13 -4.90 120.51 114.89 1ogy n ALA 286 Ca -0.02 -0.95 -0.56 0.00 0.00 0.00 0.00 53.44 51.91 1ogy n ALA 286 Cb 0.18 -2.52 -0.09 0.00 0.00 0.00 0.00 19.45 17.01 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 3.58 0.64 0.00 0.00 5.02 -1.26 -0.32 118.16 125.82 1ogy n LYS 287 Ca 0.22 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 1ogy n LYS 287 Cb 0.22 -2.02 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 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 6.53 1.21 0.16 0.72 0.00 -1.26 -4.33 105.19 108.21 1ogy n GLY 288 Ca 0.44 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.59 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 -0.86 -3.12 119.26 120.89 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 2.29 1.22 -3.00 0.00 0.00 -1.93 -3.39 119.26 114.45 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 0.40 0.00 -3.47 0.00 0.00 0.00 179.25 176.18 1ogy n ASP 291 N -3.79 0.00 -1.75 0.00 -0.08 -1.19 -5.09 116.55 104.65 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 0.41 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.87 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 -2.39 -0.14 -1.67 0.00 -1.18 -4.78 120.51 107.34 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 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 1.16 0.91 3.74 0.00 0.00 -1.26 -4.83 105.19 104.92 1ogy n GLY 293 Ca 0.00 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 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 3.30 0.00 4.61 0.00 -1.26 -4.96 121.76 121.45 1ogy s ALA 294 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.54 1ogy s ALA 294 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.89 1ogy s ALA 294 CO 0.00 0.10 0.00 -1.33 0.00 0.00 0.00 175.76 174.53 1ogy n MET 295 N 2.12 0.00 -2.37 0.00 2.81 -1.26 -2.94 117.12 115.48 1ogy n MET 295 Ca -0.00 0.04 -0.03 0.00 -1.81 0.00 0.00 57.70 55.90 1ogy n MET 295 Cb 0.48 -0.32 -0.03 0.00 -0.71 0.00 0.00 33.22 32.64 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 -1.80-11.94 -0.60 2.03 -2.24 -1.26 -2.79 114.28 95.68 1ogy n THR 296 Ca 0.00 2.60 -0.30 0.00 -2.27 0.00 0.00 64.05 64.08 1ogy n THR 296 Cb 0.00 -6.06 0.19 0.00 -2.10 0.00 0.00 70.33 62.36 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 1.55 -2.04 0.00 -0.78 -0.02 -1.26 -1.99 135.00 130.45 1ogy n PRO 297 Ca -0.25 -0.58 0.00 0.00 -2.02 0.00 0.00 63.50 60.65 1ogy n PRO 297 Cb 0.39 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 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 -4.62 0.00 -3.84 3.45 -1.04 -1.24 -4.61 114.28 102.38 1ogy n THR 298 Ca 0.02 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.91 1ogy n THR 298 Cb 0.58 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 1.61 -0.04 0.26 8.00 -1.08 -1.26 -4.86 116.67 119.30 1ogy s ASP 299 Ca 0.00 -0.12 -0.05 0.00 -0.52 0.00 0.00 52.55 51.86 1ogy s ASP 299 Cb 0.00 0.24 0.29 0.00 -1.46 0.00 0.00 42.92 41.99 1ogy s ASP 299 CO 0.00 -0.39 1.89 0.15 0.52 0.00 0.00 175.17 177.35 1ogy h PHE 300 N 4.18 1.17 -0.70 -5.34 3.57 -1.99 -2.82 116.94 115.01 1ogy h PHE 300 Ca -0.30 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.19 1ogy h PHE 300 Cb 1.19 -0.38 -0.03 0.00 2.79 0.00 0.00 35.95 39.51 1ogy h PHE 300 CO 0.57 0.79 0.45 0.93 -2.23 0.00 0.00 178.31 178.82 1ogy h GLU 301 N 1.21 0.94 -0.41 1.11 4.39 -2.00 -2.55 114.58 117.28 1ogy h GLU 301 Ca 0.31 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.86 1ogy h GLU 301 Cb -0.02 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.41 1ogy h GLU 301 CO -0.06 0.65 -0.06 1.15 -1.16 0.00 0.00 179.01 179.54 1ogy h THR 302 N 0.96 1.27 0.39 1.13 2.02 -1.91 -2.64 112.91 114.13 1ogy h THR 302 Ca 0.26 -1.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.30 1ogy h THR 302 Cb -0.07 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1ogy h THR 302 CO -0.05 0.38 -0.35 0.15 0.37 0.00 0.00 175.52 176.01 1ogy h PHE 303 N 0.57 -0.98 -0.96 3.16 3.57 -1.42 -0.93 116.94 119.95 1ogy h PHE 303 Ca 0.11 0.00 0.30 0.00 3.53 0.00 0.00 57.97 61.91 1ogy h PHE 303 Cb 0.56 0.37 -0.17 0.00 2.79 0.00 0.00 35.95 39.51 1ogy h PHE 303 CO 0.05 -0.48 0.24 0.00 -2.23 0.00 0.00 178.31 175.89 1ogy h ALA 304 N -1.20 1.50 -0.01 2.41 0.00 -1.46 0.50 119.26 121.00 1ogy h ALA 304 Ca -0.05 0.28 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1ogy h ALA 304 Cb 0.63 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1ogy h ALA 304 CO -0.02 -0.64 -0.49 0.00 0.00 0.00 0.00 179.25 178.10 1ogy h ALA 305 N 1.93 1.18 -0.22 0.00 0.00 -1.06 -1.62 119.26 119.47 1ogy h ALA 305 Ca 0.66 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1ogy h ALA 305 Cb 1.48 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 1ogy h ALA 305 CO -0.79 0.61 -0.34 1.25 0.00 0.00 0.00 179.25 179.98 1ogy h LEU 306 N 0.01 0.67 -0.80 0.00 5.85 0.13 -2.90 115.31 118.28 1ogy h LEU 306 Ca -0.00 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 58.19 1ogy h LEU 306 Cb 0.87 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.70 1ogy h LEU 306 CO 0.06 1.07 0.00 0.58 -0.34 0.00 0.00 178.44 179.81 1ogy h VAL 307 N 0.30 0.00 -0.07 1.05 2.07 -1.01 -2.94 116.25 115.65 1ogy h VAL 307 Ca 0.02 -0.25 -0.09 0.00 0.82 0.00 0.00 66.70 67.20 1ogy h VAL 307 Cb 0.93 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1ogy h VAL 307 CO 0.08 0.00 -0.37 0.28 0.02 0.00 0.00 177.57 177.58 1ogy h SER 308 N 0.00 0.15 -0.37 0.57 0.02 -1.08 -2.89 113.55 109.94 1ogy h SER 308 Ca 0.00 -0.05 0.04 0.00 -0.84 0.00 0.00 61.79 60.93 1ogy h SER 308 Cb 0.36 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1ogy h SER 308 CO 0.00 0.51 0.25 -0.08 -1.14 0.00 0.00 176.83 176.37 1ogy h GLU 309 N 0.13 0.34 -4.60 3.45 4.81 -1.63 -3.27 114.58 113.80 1ogy h GLU 309 Ca 0.01 -0.02 -0.73 0.00 -0.13 0.00 0.00 59.36 58.49 1ogy h GLU 309 Cb 0.72 -0.08 -0.15 0.00 0.63 0.00 0.00 28.75 29.87 1ogy h GLU 309 CO 0.05 0.22 1.75 0.66 -0.73 0.00 0.00 179.01 180.97 1ogy n TYR 310 N -4.48 4.38 -1.67 0.92 4.01 -1.09 -4.84 117.16 114.38 1ogy n TYR 310 Ca 0.04 -3.13 -0.32 0.00 -0.16 0.00 0.00 57.90 54.33 1ogy n TYR 310 Cb 0.19 -2.23 0.05 0.00 -0.31 0.00 0.00 39.34 37.04 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 1.81 3.52 0.24 -0.72 2.01 -1.24 -4.13 115.64 117.13 1ogy s THR 311 Ca 0.44 0.62 -0.04 0.00 0.31 0.00 0.00 61.69 63.02 1ogy s THR 311 Cb 0.02 -3.17 0.21 0.00 0.01 0.00 0.00 72.50 69.57 1ogy s THR 311 CO 0.01 -0.52 1.80 0.25 -0.69 0.00 0.00 174.62 175.47 1ogy h LEU 312 N -0.28 0.63 -1.78 4.42 5.85 -1.94 0.66 115.31 122.88 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 1.23 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 1ogy h LEU 312 CO 0.55 0.36 -0.06 -0.33 -0.34 0.00 0.00 178.44 178.61 1ogy h GLU 313 N 0.75 0.06 0.10 1.25 3.07 -1.98 -1.14 114.58 116.69 1ogy h GLU 313 Ca 0.40 -0.01 -0.24 0.00 -0.50 0.00 0.00 59.36 59.01 1ogy h GLU 313 Cb 0.39 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1ogy h GLU 313 CO -0.26 0.13 -1.23 -0.22 -1.40 0.00 0.00 179.01 176.03 1ogy h LYS 314 N 0.06 0.20 -0.27 2.33 3.64 -0.76 -3.09 116.57 118.69 1ogy h LYS 314 Ca 0.01 -0.35 0.06 0.00 -1.27 0.00 0.00 60.65 59.11 1ogy h LYS 314 Cb 0.15 0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.04 1ogy h LYS 314 CO 0.01 1.17 -0.14 0.00 -2.27 0.00 0.00 179.45 178.22 1ogy h ALA 315 N -0.08 0.07 -0.59 5.00 0.00 0.28 -0.85 119.26 123.09 1ogy h ALA 315 Ca -0.27 0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.85 1ogy h ALA 315 Cb 1.64 0.33 -0.08 0.00 0.00 0.00 0.00 17.79 19.68 1ogy h ALA 315 CO 0.03 -0.54 0.16 0.00 0.00 0.00 0.00 179.25 178.90 1ogy h ALA 316 N 1.10 0.72 -0.56 0.00 0.00 -1.34 -0.23 119.26 118.95 1ogy h ALA 316 Ca 0.14 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.21 1ogy h ALA 316 Cb 0.32 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1ogy h ALA 316 CO -0.34 -0.27 0.30 1.49 0.00 0.00 0.00 179.25 180.43 1ogy h GLU 317 N 0.30 0.56 -0.23 0.00 4.57 -1.10 -0.03 114.58 118.65 1ogy h GLU 317 Ca 0.31 -0.03 -0.20 0.00 -1.18 0.00 0.00 59.36 58.26 1ogy h GLU 317 Cb 0.43 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1ogy h GLU 317 CO -0.36 0.37 -0.63 0.82 -1.18 0.00 0.00 179.01 178.02 1ogy h ILE 318 N 0.58 1.28 0.05 2.32 2.04 -0.61 -3.37 117.51 119.80 1ogy h ILE 318 Ca 0.24 -1.83 -0.00 0.00 1.00 0.00 0.00 64.86 64.27 1ogy h ILE 318 Cb 0.13 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1ogy h ILE 318 CO -0.15 0.59 -0.02 0.77 0.00 0.00 0.00 178.15 179.33 1ogy h SER 319 N 0.59 -0.05 0.00 1.72 4.64 -0.89 -3.44 113.55 116.12 1ogy h SER 319 Ca -0.01 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1ogy h SER 319 Cb 1.24 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1ogy h SER 319 CO 0.13 0.51 0.00 0.61 -0.87 0.00 0.00 176.83 177.21 1ogy n GLY 320 N 1.58 1.50 3.81 -0.77 0.00 -0.04 -2.58 105.19 108.68 1ogy n GLY 320 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 5.33 0.22 1.61 -7.23 -1.24 -4.98 120.40 112.11 1ogy s VAL 321 Ca 0.00 0.44 -0.32 0.00 -1.81 0.00 0.00 61.98 60.30 1ogy s VAL 321 Cb 0.00 -3.54 -0.12 0.00 0.56 0.00 0.00 36.38 33.28 1ogy s VAL 321 CO 0.00 0.53 1.69 -1.61 -0.31 0.00 0.00 175.10 175.40 1ogy s GLU 322 N -0.49 4.13 0.45 4.82 0.41 -1.26 -4.65 118.70 122.11 1ogy s GLU 322 Ca 0.17 2.59 0.25 0.00 -0.41 0.00 0.00 54.97 57.57 1ogy s GLU 322 Cb -0.13 -3.07 1.28 0.00 -1.78 0.00 0.00 34.13 30.43 1ogy s GLU 322 CO 0.05 -0.72 1.77 -1.00 -0.49 0.00 0.00 175.26 174.87 1ogy h PRO 323 N 6.42 0.23 -0.77 0.39 0.13 -1.93 -1.85 132.00 134.62 1ogy h PRO 323 Ca -0.44 -0.01 0.13 0.00 -0.87 0.00 0.00 66.00 64.81 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 0.92 0.15 0.51 0.00 -0.23 0.00 0.00 178.00 179.35 1ogy h ALA 324 N 1.55 1.99 -0.08 -0.56 0.00 -1.99 -0.57 119.26 119.59 1ogy h ALA 324 Ca 0.61 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.45 1ogy h ALA 324 Cb 1.86 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1ogy h ALA 324 CO -0.22 -0.18 -0.21 -0.07 0.00 0.00 0.00 179.25 178.58 1ogy h LEU 325 N 0.52 0.33 -2.11 0.00 4.07 -1.70 -1.88 115.31 114.55 1ogy h LEU 325 Ca 0.37 -0.58 -0.01 0.00 0.08 0.00 0.00 57.88 57.74 1ogy h LEU 325 Cb 0.71 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 42.36 1ogy h LEU 325 CO -0.13 0.85 -0.04 -0.07 -1.08 0.00 0.00 178.44 177.97 1ogy h LEU 326 N -0.18 0.00 -0.49 1.67 4.07 -1.45 0.21 115.31 119.14 1ogy h LEU 326 Ca -0.00 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.79 1ogy h LEU 326 Cb 0.81 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.54 1ogy h LEU 326 CO 0.04 0.04 -0.73 -0.33 -1.08 0.00 0.00 178.44 176.38 1ogy h GLU 327 N 0.00 0.21 -0.23 1.13 5.08 -0.95 -0.78 114.58 119.03 1ogy h GLU 327 Ca -0.00 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.10 1ogy h GLU 327 Cb 0.08 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1ogy h GLU 327 CO 0.00 0.85 -0.19 0.93 -1.00 0.00 0.00 179.01 179.60 1ogy h GLU 328 N 0.14 0.54 0.00 2.33 5.08 0.14 -2.58 114.58 120.23 1ogy h GLU 328 Ca -0.02 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1ogy h GLU 328 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1ogy h GLU 328 CO 0.11 0.85 0.00 -0.11 -1.00 0.00 0.00 179.01 178.86 1ogy n LEU 329 N -4.42 0.04 -0.14 1.33 7.94 0.24 -2.68 117.00 119.30 1ogy n LEU 329 Ca -0.05 0.81 -0.01 0.00 -1.11 0.00 0.00 56.01 55.66 1ogy n LEU 329 Cb 0.40 -0.33 0.01 0.00 0.53 0.00 0.00 43.42 44.03 1ogy n LEU 329 CO 0.42 -0.33 0.21 0.00 -1.11 0.00 0.00 177.39 176.58 1ogy n ALA 330 N -1.50 -0.07 -0.32 1.96 0.00 -0.31 0.46 120.51 120.73 1ogy n ALA 330 Ca 0.00 0.36 -0.01 0.00 0.00 0.00 0.00 53.44 53.79 1ogy n ALA 330 Cb 0.00 -0.15 0.11 0.00 0.00 0.00 0.00 19.45 19.41 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 1.08 0.47 0.00 4.39 -1.45 -2.32 114.58 116.75 1ogy h GLU 331 Ca 0.12 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 1ogy h GLU 331 Cb 0.21 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1ogy h GLU 331 CO -0.37 0.72 -0.23 -0.07 -1.16 0.00 0.00 179.01 177.90 1ogy h LEU 332 N 1.11 -0.55 0.00 1.33 4.07 0.23 0.33 115.31 121.84 1ogy h LEU 332 Ca 0.35 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.33 1ogy h LEU 332 Cb -0.01 0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.88 1ogy h LEU 332 CO -0.11 -0.39 0.02 -1.22 -1.08 0.00 0.00 178.44 175.66 1ogy n TYR 333 N -5.37 0.00 -0.01 1.13 4.02 -1.04 -3.65 117.16 112.25 1ogy n TYR 333 Ca -0.12 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.76 1ogy n TYR 333 Cb 0.27 -0.25 -0.01 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 -1.24 1.97 -1.53 -0.72 0.00 0.29 -4.94 120.51 114.34 1ogy n ALA 334 Ca 0.00 -0.07 -0.48 0.00 0.00 0.00 0.00 53.44 52.89 1ogy n ALA 334 Cb 0.02 0.45 -0.06 0.00 0.00 0.00 0.00 19.45 19.87 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 -2.53 2.65 -1.43 0.00 5.75 0.92 -4.62 116.55 117.29 1ogy n ASP 335 Ca -0.03 0.44 0.00 0.00 -0.01 0.00 0.00 54.79 55.20 1ogy n ASP 335 Cb 0.53 -1.36 0.00 0.00 -1.03 0.00 0.00 41.12 39.26 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 8.09 0.03 0.00 0.11 -0.04 -1.26 -0.87 135.00 141.06 1ogy n PRO 336 Ca 0.35 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 1ogy n PRO 336 Cb 0.30 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 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 1.42 0.90 -4.66 3.54 9.92 -1.26 -5.02 116.55 121.39 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 0.02 0.13 -0.03 0.00 -0.64 0.00 0.00 41.12 40.60 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 -0.79 4.14 -0.65 -1.24 3.52 -0.05 -4.91 118.95 118.98 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 -3.96 0.04 0.00 -1.56 0.00 0.00 34.95 29.47 1ogy s ARG 338 CO 0.00 -0.88 1.14 0.15 -0.81 0.00 0.00 175.30 174.90 1ogy s LYS 339 N 4.05 3.29 0.61 5.12 1.02 -1.26 -4.90 119.74 127.67 1ogy s LYS 339 Ca 0.71 -0.20 -0.14 0.00 0.02 0.00 0.00 55.97 56.36 1ogy s LYS 339 Cb -0.31 -4.12 -0.03 0.00 -0.52 0.00 0.00 37.83 32.85 1ogy s LYS 339 CO 0.27 -1.85 1.04 -0.46 -0.92 0.00 0.00 175.35 173.44 1ogy s TRP 340 N 4.93 3.20 -0.37 3.18 -0.00 -1.26 -1.32 118.94 127.30 1ogy s TRP 340 Ca 0.34 1.45 0.03 0.00 -0.00 0.00 0.00 56.10 57.92 1ogy s TRP 340 Cb -0.10 -2.89 0.15 0.00 -0.00 0.00 0.00 33.47 30.63 1ogy s TRP 340 CO 0.18 -0.95 0.36 1.41 -0.00 0.00 0.00 176.95 177.95 1ogy s MET 341 N -4.51 0.65 0.01 5.86 -2.45 -0.88 -1.69 119.30 116.29 1ogy s MET 341 Ca 0.60 -0.94 -0.25 0.00 -1.25 0.00 0.00 55.69 53.84 1ogy s MET 341 Cb -0.14 -0.79 -0.05 0.00 1.25 0.00 0.00 34.83 35.11 1ogy s MET 341 CO 0.44 -1.20 0.77 -1.12 1.05 0.00 0.00 175.02 174.95 1ogy s SER 342 N 1.35 7.17 0.01 1.11 0.01 -0.40 -2.32 113.70 120.63 1ogy s SER 342 Ca 0.17 1.40 0.06 0.00 1.31 0.00 0.00 55.95 58.90 1ogy s SER 342 Cb -0.16 -2.47 -0.02 0.00 0.21 0.00 0.00 66.02 63.59 1ogy s SER 342 CO -0.02 -0.05 -0.19 -0.76 0.41 0.00 0.00 173.24 172.63 1ogy s LEU 343 N 0.30 2.10 -0.13 2.44 1.43 0.14 0.12 118.68 125.08 1ogy s LEU 343 Ca 0.40 -0.42 -0.21 0.00 -1.03 0.00 0.00 54.13 52.87 1ogy s LEU 343 Cb -0.20 -0.93 0.05 0.00 0.03 0.00 0.00 46.19 45.15 1ogy s LEU 343 CO 0.22 0.18 0.53 -1.66 0.23 0.00 0.00 176.35 175.86 1ogy s TRP 344 N -0.62 -0.53 0.00 0.29 -2.14 -1.14 -0.63 118.94 114.17 1ogy s TRP 344 Ca 0.07 1.14 0.00 0.00 2.66 0.00 0.00 56.10 59.97 1ogy s TRP 344 Cb -0.08 0.24 0.00 0.00 -3.10 0.00 0.00 33.47 30.53 1ogy s TRP 344 CO 0.00 -0.39 0.00 2.41 -2.66 0.00 0.00 176.95 176.31 1ogy n THR 345 N 2.00 0.00 0.18 0.66 -1.04 -1.26 -1.66 114.28 113.16 1ogy n THR 345 Ca -0.17 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 61.94 1ogy n THR 345 Cb 0.56 0.00 0.52 0.00 -1.82 0.00 0.00 70.33 69.59 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 -0.54 -2.82 2.86 -1.89 -2.33 114.93 110.21 1ogy h MET 346 Ca 0.00 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.70 1ogy h MET 346 Cb 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.61 1ogy h MET 346 CO 0.00 0.00 0.24 0.78 1.06 0.00 0.00 176.91 178.99 1ogy h GLY 347 N 0.00 0.76 0.92 8.32 0.00 -1.82 -0.72 103.07 110.53 1ogy h GLY 347 Ca 0.00 -0.15 -0.35 0.00 0.00 0.00 0.00 47.33 46.82 1ogy h GLY 347 CO 0.00 0.06 -1.76 0.74 0.00 0.00 0.00 176.54 175.58 1ogy h PHE 348 N 0.46 0.72 -0.40 5.60 -1.00 -1.64 -3.40 116.94 117.28 1ogy h PHE 348 Ca 0.25 -0.53 -0.15 0.00 2.81 0.00 0.00 57.97 60.36 1ogy h PHE 348 Cb 0.22 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.75 1ogy h PHE 348 CO -0.13 1.68 -0.35 -0.91 -1.61 0.00 0.00 178.31 177.00 1ogy h ASN 349 N 0.11 0.99 -1.58 2.17 4.21 -1.42 -3.25 115.58 116.81 1ogy h ASN 349 Ca -0.35 -0.45 -0.72 0.00 1.21 0.00 0.00 56.30 55.99 1ogy h ASN 349 Cb 2.10 -0.28 -0.20 0.00 -1.12 0.00 0.00 38.32 38.83 1ogy h ASN 349 CO 0.18 1.24 1.48 0.00 -1.29 0.00 0.00 177.43 179.04 1ogy n GLN 350 N -4.09 4.27 -4.51 0.81 6.02 -0.29 -4.56 117.38 115.04 1ogy n GLN 350 Ca -0.02 -3.65 -0.24 0.00 -0.01 0.00 0.00 57.00 53.07 1ogy n GLN 350 Cb 0.53 -2.45 -0.17 0.00 1.02 0.00 0.00 30.24 29.17 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 -2.60 1.40 -1.22 1.08 2.46 -1.23 -3.89 115.29 111.30 1ogy s HIS 351 Ca 0.50 -0.52 0.00 0.00 0.47 0.00 0.00 55.06 55.51 1ogy s HIS 351 Cb 0.25 -1.05 0.00 0.00 -0.13 0.00 0.00 32.58 31.65 1ogy s HIS 351 CO -0.17 -0.29 0.87 1.33 -2.47 0.00 0.00 174.74 174.02 1ogy n VAL 352 N 3.91 1.49 -2.58 0.89 0.24 -1.26 0.40 118.33 121.41 1ogy n VAL 352 Ca -0.22 0.38 -0.07 0.00 -2.04 0.00 0.00 64.34 62.39 1ogy n VAL 352 Cb 0.52 -1.38 0.04 0.00 -1.47 0.00 0.00 33.84 31.55 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 -1.37 2.21 -0.02 7.34 5.12 -1.26 -4.14 116.66 124.54 1ogy n ARG 353 Ca 0.00 -3.65 -0.11 0.00 -1.93 0.00 0.00 57.85 52.16 1ogy n ARG 353 Cb 0.01 -1.75 -0.06 0.00 -1.16 0.00 0.00 32.46 29.50 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 2.42 0.19 0.28 -0.13 0.00 -0.19 -1.93 103.07 103.71 1ogy h GLY 354 Ca 0.00 -0.10 0.14 0.00 0.00 0.00 0.00 47.33 47.37 1ogy h GLY 354 CO 0.34 0.10 0.47 -2.08 0.00 0.00 0.00 176.54 175.36 1ogy h VAL 355 N 0.03 0.77 -0.26 4.60 2.07 -1.81 0.20 116.25 121.84 1ogy h VAL 355 Ca 0.04 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1ogy h VAL 355 Cb 0.18 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1ogy h VAL 355 CO -0.00 0.12 0.15 -0.50 0.02 0.00 0.00 177.57 177.36 1ogy h TRP 356 N 0.68 0.36 -0.00 1.57 4.06 -1.87 -0.34 115.95 120.40 1ogy h TRP 356 Ca 0.46 -0.01 0.02 0.00 2.06 0.00 0.00 58.89 61.43 1ogy h TRP 356 Cb 0.61 -0.11 -0.03 0.00 -1.00 0.00 0.00 29.16 28.63 1ogy h TRP 356 CO -0.08 0.30 -0.15 0.00 -3.56 0.00 0.00 178.44 174.95 1ogy h ALA 357 N 1.03 -0.18 -0.33 1.49 0.00 -0.17 0.74 119.26 121.84 1ogy h ALA 357 Ca 0.09 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.08 1ogy h ALA 357 Cb 0.06 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 1ogy h ALA 357 CO -0.02 -0.64 -0.15 -0.91 0.00 0.00 0.00 179.25 177.53 1ogy h ASN 358 N -0.25 -0.52 -0.08 0.00 2.35 -0.56 -0.81 115.58 115.71 1ogy h ASN 358 Ca 0.05 0.12 0.04 0.00 -0.55 0.00 0.00 56.30 55.97 1ogy h ASN 358 Cb 0.32 0.29 -0.06 0.00 0.05 0.00 0.00 38.32 38.92 1ogy h ASN 358 CO -0.15 -0.19 -0.31 0.45 -1.65 0.00 0.00 177.43 175.59 1ogy h HIS 359 N -0.10 -0.84 -0.94 1.19 3.86 0.59 -1.54 115.15 117.37 1ogy h HIS 359 Ca 0.17 0.03 0.17 0.00 -1.16 0.00 0.00 60.37 59.58 1ogy h HIS 359 Cb 0.35 0.38 -0.08 0.00 1.06 0.00 0.00 27.41 29.13 1ogy h HIS 359 CO -0.36 -0.39 0.60 0.52 0.86 0.00 0.00 177.93 179.15 1ogy h MET 360 N -0.41 0.63 -0.42 2.45 2.86 0.17 -0.38 114.93 119.83 1ogy h MET 360 Ca 0.08 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.57 1ogy h MET 360 Cb 0.53 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1ogy h MET 360 CO -0.31 0.42 -0.19 0.28 1.06 0.00 0.00 176.91 178.16 1ogy h VAL 361 N 0.65 1.28 -0.91 -2.22 2.07 -0.22 -2.61 116.25 114.30 1ogy h VAL 361 Ca 0.49 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1ogy h VAL 361 Cb 0.89 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.86 1ogy h VAL 361 CO -0.25 0.45 0.57 1.88 0.02 0.00 0.00 177.57 180.24 1ogy h TYR 362 N 0.69 1.17 -0.40 1.57 0.99 -0.48 -2.50 116.97 118.02 1ogy h TYR 362 Ca 0.09 0.01 0.08 0.00 2.00 0.00 0.00 58.73 60.92 1ogy h TYR 362 Cb 0.76 -0.39 -0.08 0.00 1.00 0.00 0.00 36.73 38.02 1ogy h TYR 362 CO 0.06 0.76 -0.12 -0.91 -0.00 0.00 0.00 178.16 177.95 1ogy h ASN 363 N 1.24 -0.43 -0.89 3.88 2.35 -0.91 0.79 115.58 121.62 1ogy h ASN 363 Ca 0.33 0.13 0.14 0.00 -0.55 0.00 0.00 56.30 56.34 1ogy h ASN 363 Cb -0.09 0.27 -0.07 0.00 0.05 0.00 0.00 38.32 38.48 1ogy h ASN 363 CO -0.07 -0.15 0.57 -0.07 -1.65 0.00 0.00 177.43 176.06 1ogy h LEU 364 N -0.03 0.68 0.03 1.61 3.38 -1.25 0.44 115.31 120.16 1ogy h LEU 364 Ca 0.19 0.04 -0.16 0.00 0.09 0.00 0.00 57.88 58.04 1ogy h LEU 364 Cb 0.32 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.99 1ogy h LEU 364 CO -0.42 0.35 -0.64 0.45 0.09 0.00 0.00 178.44 178.27 1ogy h HIS 365 N 0.72 0.59 -0.20 1.13 3.86 -0.31 -3.08 115.15 117.86 1ogy h HIS 365 Ca 0.44 -0.34 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1ogy h HIS 365 Cb 0.67 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.07 1ogy h HIS 365 CO -0.00 1.18 0.12 -0.07 0.86 0.00 0.00 177.93 180.01 1ogy h LEU 366 N -0.17 0.25 -1.30 2.43 3.38 0.14 0.40 115.31 120.43 1ogy h LEU 366 Ca -0.09 -0.07 0.13 0.00 0.09 0.00 0.00 57.88 57.94 1ogy h LEU 366 Cb 1.37 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.99 1ogy h LEU 366 CO 0.12 0.24 0.56 -0.07 0.09 0.00 0.00 178.44 179.39 1ogy h LEU 367 N 0.23 0.66 0.00 1.67 4.07 -0.27 -2.21 115.31 119.46 1ogy h LEU 367 Ca 0.07 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1ogy h LEU 367 Cb 0.05 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.69 1ogy h LEU 367 CO -0.01 0.35 -0.96 0.35 -1.08 0.00 0.00 178.44 177.09 1ogy n THR 368 N -4.54 0.09 -1.33 0.22 -2.24 -0.91 -0.39 114.28 105.18 1ogy n THR 368 Ca 0.16 -0.15 -0.02 0.00 -2.27 0.00 0.00 64.05 61.78 1ogy n THR 368 Cb 0.43 0.40 -0.00 0.00 -2.10 0.00 0.00 70.33 69.06 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 0.44 3.37 3.38 0.00 0.13 -4.48 105.19 109.45 1ogy n GLY 369 Ca 0.03 -0.96 -0.45 0.00 0.00 0.00 0.00 46.02 44.64 1ogy n GLY 369 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ogy s LYS 370 N -2.69 4.16 0.01 1.61 1.02 -0.29 -4.95 119.74 118.60 1ogy s LYS 370 Ca 0.00 -3.04 -0.29 0.00 0.02 0.00 0.00 55.97 52.66 1ogy s LYS 370 Cb 0.00 -4.69 0.07 0.00 -0.52 0.00 0.00 37.83 32.70 1ogy s LYS 370 CO 0.00 -1.38 0.67 -1.50 -0.92 0.00 0.00 175.35 172.22 1ogy s ILE 371 N -0.49 0.00 -1.41 2.17 2.07 -1.25 -4.25 121.20 118.04 1ogy s ILE 371 Ca 0.34 0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 59.50 1ogy s ILE 371 Cb -0.08 -1.00 0.04 0.00 0.13 0.00 0.00 42.46 41.55 1ogy s ILE 371 CO -0.06 0.00 0.55 -1.20 -1.91 0.00 0.00 174.94 172.32 1ogy n SER 372 N 0.53 -4.83 -4.06 4.50 7.64 -1.24 -4.98 113.62 111.19 1ogy n SER 372 Ca -0.18 -0.34 -0.11 0.00 1.01 0.00 0.00 58.87 59.25 1ogy n SER 372 Cb 0.59 -3.94 -0.11 0.00 -1.01 0.00 0.00 64.21 59.74 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 -5.87 0.51 0.12 1.43 2.02 -1.22 -4.77 118.70 110.93 1ogy s GLU 373 Ca 0.36 -0.84 -0.31 0.00 0.02 0.00 0.00 54.97 54.20 1ogy s GLU 373 Cb -0.18 -0.11 -0.10 0.00 0.10 0.00 0.00 34.13 33.84 1ogy s GLU 373 CO 0.44 -0.00 1.79 -1.25 0.02 0.00 0.00 175.26 176.26 1ogy s PRO 374 N -2.09 4.15 0.00 0.39 0.04 -1.26 -1.84 135.00 134.39 1ogy s PRO 374 Ca -0.07 2.55 0.00 0.00 0.04 0.00 0.00 61.00 63.52 1ogy s PRO 374 Cb -0.06 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.93 1ogy s PRO 374 CO -0.02 -0.82 0.00 0.41 0.04 0.00 0.00 177.00 176.62 1ogy n GLY 375 N 4.17 2.80 3.30 0.56 0.00 -1.26 -4.81 105.19 109.95 1ogy n GLY 375 Ca 0.17 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 0.50 5.97 -0.27 1.61 0.02 -0.77 -4.14 114.94 117.85 1ogy s ASN 376 Ca 0.00 -1.66 -0.23 0.00 -1.02 0.00 0.00 52.86 49.96 1ogy s ASN 376 Cb 0.00 -2.12 0.08 0.00 0.02 0.00 0.00 41.25 39.24 1ogy s ASN 376 CO 0.00 -0.71 0.77 -0.94 0.02 0.00 0.00 177.10 176.24 1ogy s SER 377 N 2.87 -0.74 -0.67 -1.22 1.04 -0.68 -3.38 113.70 110.93 1ogy s SER 377 Ca 0.04 1.36 -0.19 0.00 0.48 0.00 0.00 55.95 57.63 1ogy s SER 377 Cb -0.26 1.36 0.11 0.00 0.10 0.00 0.00 66.02 67.32 1ogy s SER 377 CO 0.03 -0.23 0.82 -2.16 0.98 0.00 0.00 173.24 172.68 1ogy s PRO 378 N 0.64 3.17 -0.26 4.02 0.04 -1.26 -1.27 135.00 140.07 1ogy s PRO 378 Ca -0.02 -1.35 -0.16 0.00 0.04 0.00 0.00 61.00 59.51 1ogy s PRO 378 Cb -0.05 -4.35 -0.03 0.00 0.04 0.00 0.00 34.50 30.10 1ogy s PRO 378 CO -0.05 -1.61 0.43 0.12 0.04 0.00 0.00 177.00 175.93 1ogy s PHE 379 N 2.81 3.27 -0.28 0.56 5.36 0.32 -4.83 117.98 125.18 1ogy s PHE 379 Ca 0.17 0.53 -0.22 0.00 -0.96 0.00 0.00 56.93 56.45 1ogy s PHE 379 Cb -0.19 -2.62 -0.01 0.00 -0.34 0.00 0.00 43.02 39.86 1ogy s PHE 379 CO 0.04 -0.22 0.70 0.45 -1.46 0.00 0.00 175.22 174.73 1ogy s SER 380 N 1.52 6.61 0.17 6.13 0.15 -1.26 -2.88 113.70 124.14 1ogy s SER 380 Ca 0.18 0.65 -0.30 0.00 0.70 0.00 0.00 55.95 57.18 1ogy s SER 380 Cb -0.16 -2.37 -0.07 0.00 -1.71 0.00 0.00 66.02 61.71 1ogy s SER 380 CO 0.09 -0.49 0.96 -0.76 1.20 0.00 0.00 173.24 174.24 1ogy s LEU 381 N 2.71 4.57 -0.01 3.45 1.43 -0.67 -4.90 118.68 125.26 1ogy s LEU 381 Ca 0.29 1.88 0.00 0.00 -1.03 0.00 0.00 54.13 55.27 1ogy s LEU 381 Cb -0.15 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 1ogy s LEU 381 CO 0.10 0.04 0.03 -0.89 0.23 0.00 0.00 176.35 175.86 1ogy s THR 382 N -0.57 4.37 0.00 5.49 2.01 -1.26 -4.68 115.64 121.00 1ogy s THR 382 Ca 0.44 -0.49 0.00 0.00 0.31 0.00 0.00 61.69 61.96 1ogy s THR 382 Cb -0.25 -2.95 0.00 0.00 0.01 0.00 0.00 72.50 69.31 1ogy s THR 382 CO 0.31 0.40 0.31 0.61 -0.69 0.00 0.00 174.62 175.56 1ogy n GLY 383 N 1.44 -1.07 3.69 4.40 0.00 -1.26 -3.72 105.19 108.67 1ogy n GLY 383 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1ogy n GLY 383 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ogy s GLN 384 N -1.54 0.95 0.29 1.61 -0.21 -1.26 0.33 119.66 119.84 1ogy s GLN 384 Ca 0.00 0.79 -0.01 0.00 0.02 0.00 0.00 55.36 56.16 1ogy s GLN 384 Cb 0.00 -1.78 0.46 0.00 1.00 0.00 0.00 33.01 32.69 1ogy s GLN 384 CO 0.00 -2.45 1.93 -1.00 -2.12 0.00 0.00 175.29 171.66 1ogy h PRO 385 N -1.70 1.08 -0.71 2.91 0.13 -1.52 -3.28 132.00 128.91 1ogy h PRO 385 Ca -0.51 -0.07 -0.31 0.00 -0.87 0.00 0.00 66.00 64.25 1ogy h PRO 385 Cb 1.29 -0.24 -0.40 0.00 0.13 0.00 0.00 31.00 31.78 1ogy h PRO 385 CO 0.54 0.72 -1.13 1.97 -0.23 0.00 0.00 178.00 179.87 1ogy n PHE 386 N -4.45 1.32 0.21 1.56 1.16 0.11 -3.50 117.46 113.87 1ogy n PHE 386 Ca 0.12 -2.44 0.08 0.00 -1.87 0.00 0.00 57.45 53.34 1ogy n PHE 386 Cb 0.11 -0.29 0.37 0.00 -1.61 0.00 0.00 39.48 38.06 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 2.76 0.96 0.00 1.98 0.00 -1.58 -1.29 119.26 122.09 1ogy h ALA 387 Ca -0.09 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1ogy h ALA 387 Cb 1.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1ogy h ALA 387 CO 0.35 0.34 -0.06 0.00 0.00 0.00 0.00 179.25 179.88 1ogy h GLY 389 N -0.20 1.15 0.00 0.00 0.00 -1.53 0.98 103.07 103.47 1ogy h GLY 389 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1ogy h GLY 389 CO 0.00 -0.28 0.00 2.41 0.00 0.00 0.00 176.54 178.67 1ogy n THR 390 N -4.62 0.00 -0.26 4.70 -1.04 -0.50 -4.08 114.28 108.47 1ogy n THR 390 Ca 0.33 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 62.26 1ogy n THR 390 Cb 1.27 -0.68 -0.07 0.00 -1.82 0.00 0.00 70.33 69.03 1ogy n THR 390 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ogy h ALA 391 N -0.66 -0.43 0.36 2.41 0.00 -1.54 0.25 119.26 119.66 1ogy h ALA 391 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1ogy h ALA 391 Cb 0.00 1.23 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1ogy h ALA 391 CO 0.00 -0.70 -0.17 0.00 0.00 0.00 0.00 179.25 178.37 1ogy h ARG 392 N -0.04 -0.47 -0.45 0.00 3.08 -0.52 0.39 114.38 116.36 1ogy h ARG 392 Ca 0.10 0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.22 1ogy h ARG 392 Cb 0.31 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 1ogy h ARG 392 CO -0.62 -0.31 0.23 0.93 -1.07 0.00 0.00 179.97 179.13 1ogy h GLU 393 N -0.69 0.45 0.00 0.04 5.08 -0.75 -1.00 114.58 117.71 1ogy h GLU 393 Ca -0.05 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1ogy h GLU 393 Cb 0.37 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1ogy h GLU 393 CO 0.08 0.30 0.00 0.28 -1.00 0.00 0.00 179.01 178.67 1ogy h VAL 394 N 0.47 0.00 -3.67 3.13 2.07 -0.66 -3.01 116.25 114.58 1ogy h VAL 394 Ca 0.19 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1ogy h VAL 394 Cb 0.09 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1ogy h VAL 394 CO -0.13 0.00 -0.05 0.61 0.02 0.00 0.00 177.57 178.02 1ogy n GLY 395 N 0.69 -0.68 2.07 2.17 0.00 -0.38 -3.18 105.19 105.88 1ogy n GLY 395 Ca 0.03 0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.95 3.05 -4.29 2.61 -1.04 0.12 -4.28 114.28 109.50 1ogy n THR 396 Ca 0.01 -3.39 -0.29 0.00 -2.04 0.00 0.00 64.05 58.34 1ogy n THR 396 Cb 0.37 -1.03 -0.11 0.00 -1.82 0.00 0.00 70.33 67.74 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 -3.65 2.57 0.36 -1.42 0.40 -1.25 -2.68 117.98 112.32 1ogy s PHE 397 Ca 0.57 -0.24 0.23 0.00 -0.60 0.00 0.00 56.93 56.88 1ogy s PHE 397 Cb 0.46 -1.35 1.28 0.00 0.51 0.00 0.00 43.02 43.91 1ogy s PHE 397 CO 0.02 0.40 1.43 0.00 0.70 0.00 0.00 175.22 177.77 1ogy n ALA 398 N 0.72 1.05 -0.61 5.36 0.00 0.13 -0.79 120.51 126.37 1ogy n ALA 398 Ca -0.15 0.88 0.08 0.00 0.00 0.00 0.00 53.44 54.26 1ogy n ALA 398 Cb 0.53 -0.94 0.29 0.00 0.00 0.00 0.00 19.45 19.33 1ogy n ALA 398 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1ogy n HIS 399 N -4.87 1.15 -4.40 0.00 1.44 -1.26 -2.27 115.22 105.01 1ogy n HIS 399 Ca 0.35 -0.64 -0.20 0.00 -2.01 0.00 0.00 57.72 55.22 1ogy n HIS 399 Cb 1.27 -0.21 -0.10 0.00 0.12 0.00 0.00 29.99 31.06 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 -1.88 1.48 0.31 -1.40 3.52 0.03 -2.61 118.95 118.40 1ogy s ARG 400 Ca 0.43 -1.71 0.03 0.00 -0.13 0.00 0.00 55.73 54.35 1ogy s ARG 400 Cb 0.29 -1.20 -0.05 0.00 -1.56 0.00 0.00 34.95 32.42 1ogy s ARG 400 CO 0.19 0.12 0.09 -0.51 -0.81 0.00 0.00 175.30 174.39 1ogy s LEU 401 N -3.40 1.90 0.98 -0.88 1.43 0.17 -4.69 118.68 114.19 1ogy s LEU 401 Ca 0.27 -1.43 -0.14 0.00 -1.03 0.00 0.00 54.13 51.80 1ogy s LEU 401 Cb 0.01 -0.14 0.02 0.00 0.03 0.00 0.00 46.19 46.11 1ogy s LEU 401 CO 0.10 -0.72 0.19 -2.65 0.23 0.00 0.00 176.35 173.50 1ogy n PRO 402 N -0.62 -0.43 -4.15 1.29 -0.02 -1.19 -3.15 135.00 126.74 1ogy n PRO 402 Ca -0.01 -0.09 -0.40 0.00 -2.02 0.00 0.00 63.50 60.97 1ogy n PRO 402 Cb 0.66 -1.73 -0.02 0.00 -0.02 0.00 0.00 33.50 32.39 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 -3.58 -2.37 -0.99 3.55 0.00 -1.14 -1.56 120.51 114.41 1ogy n ALA 403 Ca 0.05 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1ogy n ALA 403 Cb 0.55 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 -2.47 -5.06 -4.82 0.00 8.00 -1.25 -4.99 116.55 105.96 1ogy n ASP 404 Ca -0.20 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 54.96 1ogy n ASP 404 Cb 0.62 -2.64 -0.06 0.00 -0.02 0.00 0.00 41.12 39.02 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 -1.42 4.23 0.10 -1.24 -1.94 -0.60 -4.95 119.30 113.48 1ogy s MET 405 Ca 0.00 0.93 0.03 0.00 -1.71 0.00 0.00 55.69 54.94 1ogy s MET 405 Cb 0.00 -2.61 -0.04 0.00 2.01 0.00 0.00 34.83 34.19 1ogy s MET 405 CO 0.00 0.23 0.11 0.08 -0.01 0.00 0.00 175.02 175.43 1ogy s VAL 406 N -1.79 4.61 0.17 -6.03 1.01 -1.26 0.46 120.40 117.58 1ogy s VAL 406 Ca 0.51 -0.81 0.22 0.00 0.00 0.00 0.00 61.98 61.90 1ogy s VAL 406 Cb -0.14 -3.26 0.20 0.00 0.00 0.00 0.00 36.38 33.18 1ogy s VAL 406 CO 0.19 0.06 1.81 0.58 0.00 0.00 0.00 175.10 177.74 1ogy h VAL 407 N 2.38 0.70 0.75 2.92 2.07 -1.79 -3.25 116.25 120.04 1ogy h VAL 407 Ca -0.47 -1.23 -0.04 0.00 0.82 0.00 0.00 66.70 65.78 1ogy h VAL 407 Cb 1.17 1.79 0.01 0.00 -1.52 0.00 0.00 31.29 32.74 1ogy h VAL 407 CO 0.66 0.27 -0.36 0.74 0.02 0.00 0.00 177.57 178.90 1ogy h THR 408 N 0.00 0.02 -2.20 2.57 2.02 -1.82 -3.41 112.91 110.09 1ogy h THR 408 Ca -0.00 -0.26 -0.59 0.00 0.77 0.00 0.00 66.41 66.33 1ogy h THR 408 Cb 0.77 0.03 0.04 0.00 -1.74 0.00 0.00 68.15 67.25 1ogy h THR 408 CO 0.04 0.00 0.98 -3.20 0.37 0.00 0.00 175.52 173.70 1ogy n ASN 409 N -5.45 3.39 0.15 4.18 2.85 -1.23 -4.89 115.26 114.27 1ogy n ASN 409 Ca -0.13 1.02 0.01 0.00 -0.11 0.00 0.00 54.58 55.38 1ogy n ASN 409 Cb 0.40 -1.42 0.21 0.00 1.24 0.00 0.00 39.78 40.21 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 7.76 0.00 -0.43 1.20 0.11 -1.87 -2.42 132.00 136.35 1ogy h PRO 410 Ca -0.47 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 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 0.92 0.54 -0.24 0.93 -0.21 0.00 0.00 178.00 179.94 1ogy h GLU 411 N 0.00 0.92 0.18 1.05 4.39 -1.95 -1.27 114.58 117.90 1ogy h GLU 411 Ca -0.01 -0.42 -0.01 0.00 0.34 0.00 0.00 59.36 59.27 1ogy h GLU 411 Cb 1.07 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1ogy h GLU 411 CO 0.07 1.07 -0.08 0.45 -1.16 0.00 0.00 179.01 179.36 1ogy h HIS 412 N 0.75 -0.22 -0.72 4.33 3.86 -1.83 0.22 115.15 121.55 1ogy h HIS 412 Ca 0.09 -0.01 0.16 0.00 -1.16 0.00 0.00 60.37 59.46 1ogy h HIS 412 Cb 0.81 0.07 -0.12 0.00 1.06 0.00 0.00 27.41 29.23 1ogy h HIS 412 CO 0.06 0.10 0.04 -0.09 0.86 0.00 0.00 177.93 178.90 1ogy h ARG 413 N -0.55 0.13 -0.02 2.45 2.43 -1.43 0.12 114.38 117.51 1ogy h ARG 413 Ca -0.02 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1ogy h ARG 413 Cb 0.42 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1ogy h ARG 413 CO 0.04 0.09 0.01 0.00 -1.51 0.00 0.00 179.97 178.60 1ogy h ALA 414 N 1.66 0.03 -0.75 2.80 0.00 -1.05 -0.70 119.26 121.23 1ogy h ALA 414 Ca 0.39 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.37 1ogy h ALA 414 Cb 0.68 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.38 1ogy h ALA 414 CO -0.61 -0.42 0.36 1.25 0.00 0.00 0.00 179.25 179.83 1ogy h HIS 415 N -0.07 0.64 -0.33 0.00 -0.00 0.10 0.17 115.15 115.66 1ogy h HIS 415 Ca 0.01 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.38 1ogy h HIS 415 Cb 0.10 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.32 1ogy h HIS 415 CO -0.04 0.18 0.09 0.00 -0.00 0.00 0.00 177.93 178.16 1ogy h ALA 416 N 1.49 0.44 -0.94 5.26 0.00 -0.64 -2.30 119.26 122.56 1ogy h ALA 416 Ca 0.39 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.17 1ogy h ALA 416 Cb 0.49 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1ogy h ALA 416 CO -0.32 0.10 0.61 0.93 0.00 0.00 0.00 179.25 180.57 1ogy h GLU 417 N 0.38 1.12 -0.57 0.00 5.08 0.02 0.11 114.58 120.73 1ogy h GLU 417 Ca 0.11 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1ogy h GLU 417 Cb 0.29 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1ogy h GLU 417 CO 0.00 0.74 0.06 0.93 -1.00 0.00 0.00 179.01 179.74 1ogy h GLU 418 N 1.15 0.93 0.14 2.33 4.39 -0.44 -0.22 114.58 122.86 1ogy h GLU 418 Ca 0.39 -0.24 -0.30 0.00 0.34 0.00 0.00 59.36 59.55 1ogy h GLU 418 Cb 0.06 -0.11 0.03 0.00 -0.10 0.00 0.00 28.75 28.63 1ogy h GLU 418 CO -0.14 0.88 -1.25 0.82 -1.16 0.00 0.00 179.01 178.16 1ogy h ILE 419 N 0.87 1.29 0.00 3.13 2.04 -0.95 -3.22 117.51 120.67 1ogy h ILE 419 Ca 0.17 -2.48 0.00 0.00 1.00 0.00 0.00 64.86 63.55 1ogy h ILE 419 Cb 0.43 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.27 1ogy h ILE 419 CO 0.01 0.75 0.00 0.79 0.00 0.00 0.00 178.15 179.71 1ogy n TRP 420 N -3.81 0.00 -3.56 1.37 8.01 0.34 -4.89 117.44 114.90 1ogy n TRP 420 Ca -0.14 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 55.83 1ogy n TRP 420 Cb 0.99 0.00 0.02 0.00 -2.01 0.00 0.00 31.31 30.31 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 -0.66 -1.32 -4.43 -0.99 5.02 -0.97 -4.95 118.16 109.85 1ogy n LYS 421 Ca 0.07 0.81 -0.22 0.00 -2.02 0.00 0.00 58.31 56.95 1ogy n LYS 421 Cb 0.03 -3.97 -0.10 0.00 -0.02 0.00 0.00 35.03 30.97 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 -5.41 2.58 0.22 -0.35 1.43 -0.13 -5.05 118.68 111.96 1ogy s LEU 422 Ca 0.22 -1.04 -0.30 0.00 -1.03 0.00 0.00 54.13 51.98 1ogy s LEU 422 Cb -0.08 -0.94 -0.09 0.00 0.03 0.00 0.00 46.19 45.12 1ogy s LEU 422 CO 0.85 -0.05 1.18 -2.16 0.23 0.00 0.00 176.35 176.39 1ogy s PRO 423 N -3.57 4.52 0.46 1.29 0.04 -1.26 -4.73 135.00 131.75 1ogy s PRO 423 Ca 0.28 1.88 -0.22 0.00 0.04 0.00 0.00 61.00 62.98 1ogy s PRO 423 Cb -0.03 -3.22 -0.11 0.00 0.04 0.00 0.00 34.50 31.19 1ogy s PRO 423 CO 0.12 -0.02 0.73 0.00 0.04 0.00 0.00 177.00 177.87 1ogy n ALA 424 N 2.07 -0.75 -1.12 8.56 0.00 -1.26 -2.03 120.51 125.98 1ogy n ALA 424 Ca 0.03 0.15 -0.04 0.00 0.00 0.00 0.00 53.44 53.57 1ogy n ALA 424 Cb 0.44 -1.91 -0.02 0.00 0.00 0.00 0.00 19.45 17.96 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 1.54 0.58 0.11 0.00 0.00 -1.26 -4.91 105.19 101.25 1ogy n GLY 425 Ca 0.11 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.11 -9.70 0.99 5.85 -1.80 -3.45 115.31 107.08 1ogy h LEU 426 Ca -0.09 -0.44 -0.57 0.00 0.84 0.00 0.00 57.88 57.62 1ogy h LEU 426 Cb 0.71 0.03 0.10 0.00 0.37 0.00 0.00 40.66 41.88 1ogy h LEU 426 CO 0.13 0.52 0.51 0.18 -0.34 0.00 0.00 178.44 179.45 1ogy n LEU 427 N -4.84 3.39 -4.78 2.25 4.32 -1.26 -4.96 117.00 111.12 1ogy n LEU 427 Ca -0.07 1.19 -0.36 0.00 -0.02 0.00 0.00 56.01 56.76 1ogy n LEU 427 Cb 0.27 -1.47 -0.01 0.00 -1.62 0.00 0.00 43.42 40.60 1ogy n LEU 427 CO 0.24 -0.52 0.78 -2.84 -1.22 0.00 0.00 177.39 173.83 1ogy s PRO 428 N -1.55 3.62 -0.03 3.23 0.02 -1.26 -5.00 135.00 134.03 1ogy s PRO 428 Ca 0.58 1.61 0.22 0.00 0.02 0.00 0.00 61.00 63.43 1ogy s PRO 428 Cb -0.59 -2.19 -0.32 0.00 0.02 0.00 0.00 34.50 31.42 1ogy s PRO 428 CO 0.59 -0.63 0.54 -0.40 -0.33 0.00 0.00 177.00 176.77 1ogy n ASP 429 N -0.89 0.16 -4.75 2.53 5.75 -1.26 -4.86 116.55 113.23 1ogy n ASP 429 Ca 0.09 -0.14 -0.41 0.00 -0.01 0.00 0.00 54.79 54.32 1ogy n ASP 429 Cb 0.50 1.85 -0.04 0.00 -1.03 0.00 0.00 41.12 42.40 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 -3.44 3.54 0.06 2.11 1.48 -1.26 -4.21 118.94 117.23 1ogy s TRP 430 Ca -0.06 1.61 -0.30 0.00 -1.06 0.00 0.00 56.10 56.29 1ogy s TRP 430 Cb 0.14 -3.32 -0.05 0.00 -1.16 0.00 0.00 33.47 29.08 1ogy s TRP 430 CO 0.90 -0.73 1.16 0.08 -4.06 0.00 0.00 176.95 174.31 1ogy s VAL 431 N -0.65 4.14 1.12 -0.66 1.01 -1.26 -4.62 120.40 119.48 1ogy s VAL 431 Ca 0.48 1.56 -0.18 0.00 0.00 0.00 0.00 61.98 63.83 1ogy s VAL 431 Cb -0.31 -4.00 0.26 0.00 0.00 0.00 0.00 36.38 32.33 1ogy s VAL 431 CO 0.38 0.13 1.18 -0.83 0.00 0.00 0.00 175.10 175.97 1ogy s GLY 432 N 0.97 1.65 -0.23 4.51 0.00 -0.96 -4.97 107.32 108.28 1ogy s GLY 432 Ca 0.57 -1.03 -0.28 0.00 0.00 0.00 0.00 44.72 43.97 1ogy s GLY 432 CO 0.29 -0.19 1.01 0.00 0.00 0.00 0.00 173.10 174.22 1ogy s ALA 433 N -3.30 3.68 0.84 3.20 0.00 -1.26 -4.77 121.76 120.15 1ogy s ALA 433 Ca 0.72 0.14 -0.12 0.00 0.00 0.00 0.00 51.96 52.70 1ogy s ALA 433 Cb -0.08 -3.52 0.10 0.00 0.00 0.00 0.00 23.12 19.62 1ogy s ALA 433 CO 0.55 -1.03 1.10 -3.38 0.00 0.00 0.00 175.76 173.00 1ogy s HIS 434 N 3.15 2.66 0.06 0.00 -3.43 -1.26 -4.39 115.29 112.09 1ogy s HIS 434 Ca 0.43 1.12 -0.12 0.00 -0.80 0.00 0.00 55.06 55.68 1ogy s HIS 434 Cb -0.15 -3.18 -0.03 0.00 -1.43 0.00 0.00 32.58 27.80 1ogy s HIS 434 CO 0.06 -2.02 0.99 0.00 -2.00 0.00 0.00 174.74 171.77 1ogy n ALA 435 N -3.59 -0.25 0.24 -1.38 0.00 -1.26 0.13 120.51 114.39 1ogy n ALA 435 Ca 0.07 0.34 -0.17 0.00 0.00 0.00 0.00 53.44 53.68 1ogy n ALA 435 Cb 0.57 0.14 -0.09 0.00 0.00 0.00 0.00 19.45 20.06 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 0.10 -0.64 0.00 2.07 -1.92 -2.06 116.25 113.80 1ogy h VAL 436 Ca 0.06 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.71 1ogy h VAL 436 Cb 0.16 0.10 -0.12 0.00 -1.52 0.00 0.00 31.29 29.91 1ogy h VAL 436 CO -0.37 0.00 -0.24 -0.08 0.02 0.00 0.00 177.57 176.89 1ogy h GLU 437 N -0.88 -0.07 -1.06 1.57 4.81 -1.48 0.25 114.58 117.72 1ogy h GLU 437 Ca -0.04 0.01 0.30 0.00 -0.13 0.00 0.00 59.36 59.50 1ogy h GLU 437 Cb 0.79 0.02 -0.13 0.00 0.63 0.00 0.00 28.75 30.06 1ogy h GLU 437 CO -0.10 -0.05 0.64 0.37 -0.73 0.00 0.00 179.01 179.14 1ogy h GLN 438 N -0.08 0.37 -0.06 1.92 4.15 0.18 0.62 115.11 122.21 1ogy h GLN 438 Ca 0.28 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.66 1ogy h GLN 438 Cb 0.53 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.13 1ogy h GLN 438 CO -0.69 0.24 -0.06 -0.44 -1.93 0.00 0.00 178.83 175.95 1ogy h ASP 439 N 0.38 0.16 0.68 -0.69 3.32 0.01 -2.66 116.42 117.62 1ogy h ASP 439 Ca 0.69 -0.48 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 1ogy h ASP 439 Cb 1.64 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 41.14 1ogy h ASP 439 CO -0.47 0.61 -0.37 0.03 -1.72 0.00 0.00 179.24 177.32 1ogy h ARG 440 N -0.29 -0.94 0.00 3.56 3.08 0.59 0.04 114.38 120.43 1ogy h ARG 440 Ca 0.01 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1ogy h ARG 440 Cb 0.56 0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.82 1ogy h ARG 440 CO 0.01 -0.62 0.35 0.87 -1.07 0.00 0.00 179.97 179.51 1ogy h LYS 441 N -0.97 0.00 0.22 0.04 1.57 -0.10 0.67 116.57 118.00 1ogy h LYS 441 Ca -0.09 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.34 1ogy h LYS 441 Cb 0.76 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.10 1ogy h LYS 441 CO 0.13 0.00 -1.65 1.25 -0.57 0.00 0.00 179.45 178.61 1ogy h LEU 442 N 0.00 0.72 -0.47 2.94 5.85 -0.82 0.42 115.31 123.95 1ogy h LEU 442 Ca 0.00 -0.93 -0.01 0.00 0.84 0.00 0.00 57.88 57.78 1ogy h LEU 442 Cb 0.70 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1ogy h LEU 442 CO 0.00 1.76 0.25 -0.74 -0.34 0.00 0.00 178.44 179.37 1ogy h HIS 443 N 0.13 0.65 0.00 1.25 2.76 0.21 -3.16 115.15 116.99 1ogy h HIS 443 Ca -0.31 -0.02 -0.21 0.00 -2.20 0.00 0.00 60.37 57.63 1ogy h HIS 443 Cb 2.13 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 30.88 1ogy h HIS 443 CO 0.11 0.50 -0.90 -0.44 -1.30 0.00 0.00 177.93 175.91 1ogy h ASP 444 N 0.61 0.35 0.00 3.26 3.32 -1.17 -3.44 116.42 119.35 1ogy h ASP 444 Ca 0.16 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1ogy h ASP 444 Cb 0.07 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1ogy h ASP 444 CO -0.02 1.08 0.00 0.61 -1.72 0.00 0.00 179.24 179.19 1ogy n GLY 445 N 0.89 1.41 0.17 2.75 0.00 -0.72 -5.01 105.19 104.68 1ogy n GLY 445 Ca -0.05 0.00 -0.18 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 0.93 0.54 -5.05 1.61 4.39 -0.48 -3.41 114.58 113.11 1ogy h GLU 446 Ca 0.00 -0.66 -0.64 0.00 0.34 0.00 0.00 59.36 58.40 1ogy h GLU 446 Cb 0.00 0.20 -0.20 0.00 -0.10 0.00 0.00 28.75 28.65 1ogy h GLU 446 CO 0.00 1.27 -0.60 0.42 -1.16 0.00 0.00 179.01 178.93 1ogy s ILE 447 N -3.13 4.47 -0.18 3.13 1.01 -0.85 -4.12 121.20 121.54 1ogy s ILE 447 Ca -0.08 -0.12 0.04 0.00 0.00 0.00 0.00 60.65 60.49 1ogy s ILE 447 Cb 0.07 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 39.42 1ogy s ILE 447 CO 0.90 0.37 0.18 0.59 0.00 0.00 0.00 174.94 176.98 1ogy n ASN 448 N 4.51 0.70 -4.18 3.58 5.03 0.17 -4.65 115.26 120.42 1ogy n ASN 448 Ca -0.16 -0.53 -0.30 0.00 0.87 0.00 0.00 54.58 54.47 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 -1.54 2.22 -0.04 3.10 5.36 -1.03 -1.12 117.98 124.93 1ogy s PHE 449 Ca 0.01 -0.84 -0.02 0.00 -0.96 0.00 0.00 56.93 55.13 1ogy s PHE 449 Cb 0.03 -1.50 0.03 0.00 -0.34 0.00 0.00 43.02 41.25 1ogy s PHE 449 CO 0.18 -0.33 0.08 -0.47 -1.46 0.00 0.00 175.22 173.22 1ogy s TYR 450 N 0.31 -0.04 -0.25 10.12 5.04 -0.60 -1.28 117.35 130.65 1ogy s TYR 450 Ca -0.14 0.31 0.02 0.00 -2.44 0.00 0.00 57.07 54.81 1ogy s TYR 450 Cb -0.16 -0.26 0.05 0.00 0.35 0.00 0.00 41.96 41.93 1ogy s TYR 450 CO 0.06 -0.16 -0.10 -0.46 -1.34 0.00 0.00 175.55 173.55 1ogy s TRP 451 N 1.54 3.17 -0.11 4.97 -0.11 -0.56 0.33 118.94 128.17 1ogy s TRP 451 Ca -0.04 -2.08 -0.12 0.00 1.22 0.00 0.00 56.10 55.09 1ogy s TRP 451 Cb -0.12 -1.97 -0.05 0.00 -1.50 0.00 0.00 33.47 29.83 1ogy s TRP 451 CO -0.04 -0.84 0.27 0.08 -4.62 0.00 0.00 176.95 171.79 1ogy s VAL 452 N 1.18 5.30 -0.02 5.86 1.01 0.12 -1.45 120.40 132.39 1ogy s VAL 452 Ca -0.05 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1ogy s VAL 452 Cb -0.19 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.65 1ogy s VAL 452 CO -0.06 0.51 0.03 -1.10 0.00 0.00 0.00 175.10 174.48 1ogy s GLN 453 N -0.39 -0.03 -1.46 2.72 -0.21 -0.27 -1.70 119.66 118.33 1ogy s GLN 453 Ca 0.17 0.18 -0.08 0.00 0.02 0.00 0.00 55.36 55.65 1ogy s GLN 453 Cb -0.14 -0.24 0.05 0.00 1.00 0.00 0.00 33.01 33.69 1ogy s GLN 453 CO 0.06 -0.16 0.79 0.28 -2.12 0.00 0.00 175.29 174.14 1ogy n VAL 454 N 4.13 -2.84 -3.53 1.09 0.31 -1.24 -3.78 118.33 112.47 1ogy n VAL 454 Ca -0.27 -0.24 -0.11 0.00 -0.01 0.00 0.00 64.34 63.71 1ogy n VAL 454 Cb 0.51 -2.98 -0.02 0.00 -0.91 0.00 0.00 33.84 30.43 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 -3.80 -0.48 -0.45 4.52 4.22 -1.26 -4.59 114.94 113.10 1ogy s ASN 455 Ca 0.36 -0.16 0.08 0.00 -2.14 0.00 0.00 52.86 51.01 1ogy s ASN 455 Cb -0.19 0.62 0.40 0.00 1.28 0.00 0.00 41.25 43.36 1ogy s ASN 455 CO 0.84 -1.05 0.98 -3.20 -2.04 0.00 0.00 177.10 172.64 1ogy n ASN 456 N -0.39 3.50 0.27 3.54 2.85 -1.26 -4.93 115.26 118.84 1ogy n ASN 456 Ca -0.14 -3.42 0.15 0.00 -0.11 0.00 0.00 54.58 51.06 1ogy n ASN 456 Cb 0.64 -0.52 0.72 0.00 1.24 0.00 0.00 39.78 41.85 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 2.83 0.00 0.53 1.20 -0.00 -1.97 0.66 115.58 118.83 1ogy h ASN 457 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.45 1ogy h ASN 457 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.18 1ogy h ASN 457 CO 0.73 0.00 0.00 0.23 -0.00 0.00 0.00 177.43 178.39 1ogy n MET 458 N -3.03 0.17 -0.04 6.67 2.81 -1.26 -0.77 117.12 121.66 1ogy n MET 458 Ca 0.01 0.46 -0.05 0.00 -1.81 0.00 0.00 57.70 56.31 1ogy n MET 458 Cb 0.51 -1.86 -0.05 0.00 -0.71 0.00 0.00 33.22 31.11 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 -2.18 1.39 -0.02 0.03 7.27 0.17 -4.72 117.38 119.32 1ogy n GLN 459 Ca 0.01 0.03 -0.16 0.00 0.07 0.00 0.00 57.00 56.96 1ogy n GLN 459 Cb 0.18 -1.19 -0.10 0.00 2.41 0.00 0.00 30.24 31.54 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 0.17 0.13 -3.08 1.69 0.00 -1.30 -3.43 119.26 113.44 1ogy h ALA 460 Ca -0.21 -0.48 -0.56 0.00 0.00 0.00 0.00 54.91 53.66 1ogy h ALA 460 Cb 1.40 0.00 0.15 0.00 0.00 0.00 0.00 17.79 19.34 1ogy h ALA 460 CO -0.01 0.25 0.53 0.00 0.00 0.00 0.00 179.25 180.01 1ogy s ALA 461 N -3.53 2.43 0.45 0.00 0.00 0.05 -5.00 121.76 116.15 1ogy s ALA 461 Ca -0.14 1.23 -0.21 0.00 0.00 0.00 0.00 51.96 52.84 1ogy s ALA 461 Cb 0.04 -3.55 -0.10 0.00 0.00 0.00 0.00 23.12 19.50 1ogy s ALA 461 CO 0.79 -1.56 0.99 -1.25 0.00 0.00 0.00 175.76 174.73 1ogy s PRO 462 N -3.33 4.06 -1.33 0.00 0.04 -1.26 -4.16 135.00 129.02 1ogy s PRO 462 Ca 0.81 1.22 -0.08 0.00 0.04 0.00 0.00 61.00 62.99 1ogy s PRO 462 Cb -0.38 -2.15 0.06 0.00 0.04 0.00 0.00 34.50 32.07 1ogy s PRO 462 CO 0.40 -0.19 0.50 -1.71 0.04 0.00 0.00 177.00 176.04 1ogy n ASN 463 N -0.76 -4.19 -0.29 6.66 2.85 -0.25 -4.72 115.26 114.56 1ogy n ASN 463 Ca 0.08 -0.35 0.26 0.00 -0.11 0.00 0.00 54.58 54.46 1ogy n ASN 463 Cb 0.53 -3.45 0.48 0.00 1.24 0.00 0.00 39.78 38.58 1ogy n ASN 463 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 1ogy n ILE 464 N -4.03 -0.38 -0.07 -1.44 -5.35 -1.09 -0.59 119.36 106.42 1ogy n ILE 464 Ca -0.04 1.86 -0.10 0.00 -0.27 0.00 0.00 62.75 64.21 1ogy n ILE 464 Cb 0.56 -2.97 0.05 0.00 -1.74 0.00 0.00 39.64 35.54 1ogy n ILE 464 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 1ogy h ASP 465 N 0.00 0.79 0.34 7.28 3.58 -1.85 0.47 116.42 127.03 1ogy h ASP 465 Ca 0.73 -0.35 -0.02 0.00 0.42 0.00 0.00 57.03 57.81 1ogy h ASP 465 Cb 1.86 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 42.69 1ogy h ASP 465 CO -0.73 1.08 -0.16 -0.61 -2.88 0.00 0.00 179.24 175.94 1ogy h GLN 466 N 0.62 -0.44 0.00 0.28 4.15 -1.19 -3.42 115.11 115.12 1ogy h GLN 466 Ca 0.06 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1ogy h GLN 466 Cb 0.91 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.70 1ogy h GLN 466 CO 0.08 -0.13 -0.21 0.39 -1.93 0.00 0.00 178.83 177.03 1ogy n GLU 467 N -5.09 4.21 -0.05 1.69 1.02 -1.03 -4.75 120.64 116.64 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 -0.52 -0.13 0.00 -0.02 0.00 0.00 31.44 31.03 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 -0.86 1.67 0.05 2.62 -1.04 -0.81 -3.57 114.28 112.35 1ogy n THR 468 Ca 0.00 -0.45 -0.13 0.00 -2.04 0.00 0.00 64.05 61.43 1ogy n THR 468 Cb 0.00 -1.80 -0.09 0.00 -1.82 0.00 0.00 70.33 66.63 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 -0.31 -0.11 -0.39 -1.42 3.20 -0.36 -2.25 116.97 115.32 1ogy h TYR 469 Ca -0.44 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.42 1ogy h TYR 469 Cb 1.79 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 40.08 1ogy h TYR 469 CO 0.07 0.18 0.23 -1.00 -1.64 0.00 0.00 178.16 176.00 1ogy h PRO 470 N -0.42 0.52 -0.13 1.82 0.13 -1.78 -1.01 132.00 131.14 1ogy h PRO 470 Ca -0.01 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 65.00 1ogy h PRO 470 Cb 0.35 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.35 1ogy h PRO 470 CO 0.02 0.37 -0.24 0.78 -0.23 0.00 0.00 178.00 178.70 1ogy h GLY 471 N 0.58 0.25 1.77 1.56 0.00 -1.58 0.25 103.07 105.89 1ogy h GLY 471 Ca 0.14 -0.18 -0.21 0.00 0.00 0.00 0.00 47.33 47.08 1ogy h GLY 471 CO -0.03 0.17 -1.11 -0.97 0.00 0.00 0.00 176.54 174.60 1ogy h TYR 472 N 0.21 0.00 -0.12 5.60 -1.99 -0.69 -3.30 116.97 116.69 1ogy h TYR 472 Ca 0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1ogy h TYR 472 Cb 0.55 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.28 1ogy h TYR 472 CO 0.01 0.94 0.00 0.54 -0.00 0.00 0.00 178.16 179.65 1ogy n ARG 473 N -3.26 2.07 -1.69 4.88 5.12 -0.47 -4.81 116.66 118.49 1ogy n ARG 473 Ca -0.03 -1.58 -0.43 0.00 -1.93 0.00 0.00 57.85 53.88 1ogy n ARG 473 Cb 0.94 -1.47 -0.03 0.00 -1.16 0.00 0.00 32.46 30.74 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 -1.83 5.91 0.36 0.55 3.04 0.86 -4.86 114.94 118.96 1ogy s ASN 474 Ca 0.34 2.13 0.17 0.00 0.04 0.00 0.00 52.86 55.54 1ogy s ASN 474 Cb 0.20 -2.52 0.93 0.00 -1.54 0.00 0.00 41.25 38.33 1ogy s ASN 474 CO 0.31 -1.56 1.46 -0.65 -3.04 0.00 0.00 177.10 173.61 1ogy h PRO 475 N 12.99 0.00 -0.01 0.43 0.11 -1.90 0.22 132.00 143.83 1ogy h PRO 475 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1ogy h PRO 475 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1ogy h PRO 475 CO 0.96 0.00 -0.00 0.39 -0.21 0.00 0.00 178.00 179.14 1ogy n GLU 476 N -2.19 1.39 -4.28 1.05 -0.58 -1.26 -4.86 120.64 109.90 1ogy n GLU 476 Ca -0.01 -0.57 -0.30 0.00 -0.42 0.00 0.00 57.16 55.86 1ogy n GLU 476 Cb 0.25 -1.49 -0.10 0.00 -0.57 0.00 0.00 31.44 29.53 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 -2.00 4.40 -0.08 1.62 0.02 0.76 -4.78 114.94 114.88 1ogy s ASN 477 Ca 0.42 -0.35 0.04 0.00 -1.02 0.00 0.00 52.86 51.94 1ogy s ASN 477 Cb 0.21 -0.86 0.00 0.00 0.02 0.00 0.00 41.25 40.63 1ogy s ASN 477 CO 0.35 0.20 -0.19 0.12 0.02 0.00 0.00 177.10 177.59 1ogy s PHE 478 N -1.17 2.07 -0.11 2.20 5.36 -0.28 -4.86 117.98 121.19 1ogy s PHE 478 Ca 0.20 -0.77 0.01 0.00 -0.96 0.00 0.00 56.93 55.42 1ogy s PHE 478 Cb -0.11 -1.41 0.02 0.00 -0.34 0.00 0.00 43.02 41.18 1ogy s PHE 478 CO 0.12 -0.31 -0.12 0.42 -1.46 0.00 0.00 175.22 173.88 1ogy s ILE 479 N 0.33 1.28 -0.09 3.12 1.01 -1.26 -1.56 121.20 124.03 1ogy s ILE 479 Ca -0.13 -0.48 -0.03 0.00 0.00 0.00 0.00 60.65 60.01 1ogy s ILE 479 Cb -0.16 -1.22 -0.03 0.00 0.01 0.00 0.00 42.46 41.06 1ogy s ILE 479 CO 0.06 0.40 0.02 -0.69 0.00 0.00 0.00 174.94 174.73 1ogy s VAL 480 N 1.33 4.47 -0.18 2.92 1.01 0.15 -0.90 120.40 129.21 1ogy s VAL 480 Ca -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 1ogy s VAL 480 Cb -0.14 -2.90 0.05 0.00 0.00 0.00 0.00 36.38 33.40 1ogy s VAL 480 CO -0.05 0.60 0.01 -0.69 0.00 0.00 0.00 175.10 174.96 1ogy s VAL 481 N -0.83 0.72 -0.05 2.92 1.01 0.42 0.12 120.40 124.72 1ogy s VAL 481 Ca 0.13 -0.55 -0.18 0.00 0.00 0.00 0.00 61.98 61.38 1ogy s VAL 481 Cb -0.12 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 35.12 1ogy s VAL 481 CO 0.02 -0.07 0.49 -0.44 0.00 0.00 0.00 175.10 175.10 1ogy s SER 482 N 1.78 6.81 0.24 3.32 0.01 -0.69 -1.01 113.70 124.17 1ogy s SER 482 Ca -0.00 0.96 -0.21 0.00 1.31 0.00 0.00 55.95 58.01 1ogy s SER 482 Cb -0.16 -2.30 0.07 0.00 0.21 0.00 0.00 66.02 63.84 1ogy s SER 482 CO -0.07 0.13 0.95 -0.62 0.41 0.00 0.00 173.24 174.03 1ogy s ASP 483 N -0.13 -0.02 0.00 2.44 -1.08 -0.63 -3.59 116.67 113.65 1ogy s ASP 483 Ca 0.27 -0.78 0.04 0.00 -0.52 0.00 0.00 52.55 51.55 1ogy s ASP 483 Cb -0.17 0.61 -0.02 0.00 -1.46 0.00 0.00 42.92 41.88 1ogy s ASP 483 CO 0.13 -1.20 0.26 0.00 0.52 0.00 0.00 175.17 174.89 1ogy n ALA 484 N -0.62 2.47 -2.58 3.66 0.00 -1.26 -0.78 120.51 121.40 1ogy n ALA 484 Ca -0.05 -0.20 -0.09 0.00 0.00 0.00 0.00 53.44 53.10 1ogy n ALA 484 Cb 0.60 -0.13 -0.08 0.00 0.00 0.00 0.00 19.45 19.84 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 -1.10 0.16 0.00 0.00 1.51 -1.26 -2.67 117.35 113.99 1ogy s TYR 485 Ca 0.02 -0.56 0.00 0.00 -1.01 0.00 0.00 57.07 55.52 1ogy s TYR 485 Cb 0.03 -0.08 0.00 0.00 -0.11 0.00 0.00 41.96 41.80 1ogy s TYR 485 CO 0.12 -0.51 0.00 -2.30 -1.11 0.00 0.00 175.55 171.76 1ogy n PRO 486 N 0.11 0.00 0.00 -1.71 -0.02 -1.26 -4.93 135.00 127.19 1ogy n PRO 486 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 1ogy n PRO 486 Cb 0.62 -0.15 0.00 0.00 -0.02 0.00 0.00 33.50 33.94 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 0.00 -0.97 -0.21 3.45 -1.04 -1.26 -4.17 114.28 110.08 1ogy n THR 487 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 1ogy n THR 487 Cb 0.00 -0.14 0.02 0.00 -1.82 0.00 0.00 70.33 68.40 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 0.00 1.27 -0.76 12.58 3.04 -1.95 -1.79 116.25 128.64 1ogy h VAL 488 Ca 0.00 -1.15 0.12 0.00 -1.01 0.00 0.00 66.70 64.65 1ogy h VAL 488 Cb 0.00 0.80 -0.08 0.00 -2.01 0.00 0.00 31.29 30.00 1ogy h VAL 488 CO 0.00 0.42 0.37 0.74 -1.01 0.00 0.00 177.57 178.09 1ogy h THR 489 N 0.97 0.78 -0.45 3.17 2.02 -1.87 0.21 112.91 117.74 1ogy h THR 489 Ca 0.17 -0.20 -0.13 0.00 0.77 0.00 0.00 66.41 67.02 1ogy h THR 489 Cb 0.56 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1ogy h THR 489 CO 0.03 0.11 -0.23 1.23 0.37 0.00 0.00 175.52 177.02 1ogy h GLY 490 N 0.58 1.01 1.70 2.16 0.00 -1.65 -2.01 103.07 104.86 1ogy h GLY 490 Ca 0.39 -0.90 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1ogy h GLY 490 CO -0.32 0.82 0.14 -0.09 0.00 0.00 0.00 176.54 177.09 1ogy h ARG 491 N 0.80 0.39 -0.55 4.80 2.43 -0.21 -0.27 114.38 121.77 1ogy h ARG 491 Ca 0.10 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1ogy h ARG 491 Cb 0.80 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1ogy h ARG 491 CO 0.07 0.31 0.00 0.00 -1.51 0.00 0.00 179.97 178.83 1ogy n ALA 492 N -2.49 2.76 -3.41 2.80 0.00 0.56 -4.92 120.51 115.80 1ogy n ALA 492 Ca 0.01 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.64 1ogy n ALA 492 Cb 0.11 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 0.51 0.00 -0.02 0.00 0.00 -0.11 -4.66 120.51 116.23 1ogy n ALA 493 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.55 1ogy n ALA 493 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 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 -2.05 3.89 -3.91 0.00 8.00 -0.08 -4.98 116.55 117.42 1ogy n ASP 494 Ca 0.00 -0.01 -0.23 0.00 0.71 0.00 0.00 54.79 55.26 1ogy n ASP 494 Cb 0.00 0.31 -0.17 0.00 -0.02 0.00 0.00 41.12 41.24 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 -4.70 1.27 -0.22 0.64 2.96 -0.67 -2.48 118.68 115.47 1ogy s LEU 495 Ca -0.04 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 53.69 1ogy s LEU 495 Cb 0.01 -0.62 0.04 0.00 0.50 0.00 0.00 46.19 46.12 1ogy s LEU 495 CO 0.14 -0.07 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.25 1ogy s VAL 496 N 1.18 2.12 -0.20 1.68 1.01 -0.83 -0.43 120.40 124.92 1ogy s VAL 496 Ca -0.06 -1.26 -0.10 0.00 0.00 0.00 0.00 61.98 60.57 1ogy s VAL 496 Cb -0.14 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 1ogy s VAL 496 CO -0.02 0.28 0.12 -0.76 0.00 0.00 0.00 175.10 174.72 1ogy s LEU 497 N 1.21 4.11 0.14 3.92 1.43 -0.18 -1.34 118.68 127.96 1ogy s LEU 497 Ca -0.01 0.18 -0.31 0.00 -1.03 0.00 0.00 54.13 52.96 1ogy s LEU 497 Cb -0.16 -2.07 -0.08 0.00 0.03 0.00 0.00 46.19 43.91 1ogy s LEU 497 CO -0.09 0.16 1.35 -2.16 0.23 0.00 0.00 176.35 175.84 1ogy s PRO 498 N 0.45 4.35 0.03 1.29 0.04 -1.26 -1.61 135.00 138.29 1ogy s PRO 498 Ca 0.07 2.04 0.06 0.00 0.04 0.00 0.00 61.00 63.22 1ogy s PRO 498 Cb -0.12 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 1ogy s PRO 498 CO -0.01 -0.36 -0.17 0.00 0.04 0.00 0.00 177.00 176.50 1ogy s ALA 499 N 0.77 2.61 0.10 8.56 0.00 0.04 -2.83 121.76 131.02 1ogy s ALA 499 Ca 0.61 -1.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.12 1ogy s ALA 499 Cb -0.36 -0.78 -0.06 0.00 0.00 0.00 0.00 23.12 21.92 1ogy s ALA 499 CO 0.33 0.57 0.99 0.00 0.00 0.00 0.00 175.76 177.65 1ogy s ALA 500 N -0.90 3.25 0.34 0.00 0.00 -0.93 -4.61 121.76 118.92 1ogy s ALA 500 Ca 0.14 0.61 0.08 0.00 0.00 0.00 0.00 51.96 52.79 1ogy s ALA 500 Cb -0.11 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 1ogy s ALA 500 CO 0.05 -0.10 0.25 1.41 0.00 0.00 0.00 175.76 177.37 1ogy s MET 501 N 0.17 2.60 0.00 0.00 1.75 -1.26 -4.49 119.30 118.07 1ogy s MET 501 Ca 0.49 -1.39 0.00 0.00 -1.25 0.00 0.00 55.69 53.53 1ogy s MET 501 Cb -0.24 -2.38 0.00 0.00 2.84 0.00 0.00 34.83 35.05 1ogy s MET 501 CO 0.30 0.08 0.00 1.87 -0.65 0.00 0.00 175.02 176.62 1ogy n TRP 502 N -1.32 0.00 1.47 4.11 -0.00 -1.26 0.63 117.44 121.07 1ogy n TRP 502 Ca -0.02 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.53 1ogy n TRP 502 Cb 0.60 0.00 0.20 0.00 -0.00 0.00 0.00 31.31 32.12 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 1.41 5.87 0.31 -1.26 -3.14 118.33 121.72 1ogy n VAL 503 Ca 0.00 -0.23 0.14 0.00 -0.01 0.00 0.00 64.34 64.24 1ogy n VAL 503 Cb 0.00 0.10 0.49 0.00 -0.91 0.00 0.00 33.84 33.52 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 -0.04 1.24 -3.86 5.55 1.02 0.20 -1.28 120.64 123.48 1ogy n GLU 504 Ca 0.09 -0.69 -0.12 0.00 -0.02 0.00 0.00 57.16 56.42 1ogy n GLU 504 Cb 0.17 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 29.98 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 -2.23 0.16 0.21 3.49 -2.85 -1.19 -4.47 119.74 112.86 1ogy s LYS 505 Ca 0.32 -0.01 -0.30 0.00 -1.00 0.00 0.00 55.97 54.98 1ogy s LYS 505 Cb 0.20 0.07 -0.08 0.00 -2.06 0.00 0.00 37.83 35.96 1ogy s LYS 505 CO 0.42 -0.03 1.21 -2.00 0.10 0.00 0.00 175.35 175.05 1ogy s GLU 506 N -0.27 4.48 0.38 1.78 2.12 -1.26 -4.46 118.70 121.47 1ogy s GLU 506 Ca -0.03 1.92 -0.08 0.00 0.36 0.00 0.00 54.97 57.13 1ogy s GLU 506 Cb -0.02 -3.22 0.03 0.00 0.26 0.00 0.00 34.13 31.18 1ogy s GLU 506 CO 0.00 -0.09 0.65 0.20 -0.54 0.00 0.00 175.26 175.48 1ogy s GLY 507 N 0.02 1.02 -0.03 -1.50 0.00 -0.23 -4.96 107.32 101.64 1ogy s GLY 507 Ca 0.52 -1.20 -0.15 0.00 0.00 0.00 0.00 44.72 43.90 1ogy s GLY 507 CO 0.38 -0.68 0.33 0.00 0.00 0.00 0.00 173.10 173.13 1ogy s ALA 508 N -2.49 -0.82 0.19 3.20 0.00 -1.26 -0.91 121.76 119.67 1ogy s ALA 508 Ca 0.23 0.44 -0.00 0.00 0.00 0.00 0.00 51.96 52.63 1ogy s ALA 508 Cb -0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 1ogy s ALA 508 CO 0.17 -0.25 0.09 0.71 0.00 0.00 0.00 175.76 176.48 1ogy s TYR 509 N -1.12 1.18 -0.13 0.00 2.02 0.61 -1.79 117.35 118.12 1ogy s TYR 509 Ca -0.12 -1.26 -0.02 0.00 -0.37 0.00 0.00 57.07 55.30 1ogy s TYR 509 Cb -0.05 -0.63 0.04 0.00 -0.40 0.00 0.00 41.96 40.92 1ogy s TYR 509 CO 0.04 -0.50 0.02 0.20 -1.57 0.00 0.00 175.55 173.74 1ogy s GLY 510 N -3.17 0.56 0.83 0.71 0.00 -1.23 -0.68 107.32 104.33 1ogy s GLY 510 Ca 0.34 -0.38 -0.12 0.00 0.00 0.00 0.00 44.72 44.56 1ogy s GLY 510 CO 0.09 1.31 1.18 0.54 0.00 0.00 0.00 173.10 176.22 1ogy s ASN 511 N 1.94 4.20 0.47 1.64 4.22 0.16 -2.26 114.94 125.30 1ogy s ASN 511 Ca 0.02 0.56 0.22 0.00 -2.14 0.00 0.00 52.86 51.52 1ogy s ASN 511 Cb -0.15 -0.96 1.22 0.00 1.28 0.00 0.00 41.25 42.65 1ogy s ASN 511 CO -0.07 -2.07 1.65 0.00 -2.04 0.00 0.00 177.10 174.57 1ogy h ALA 512 N -1.11 1.21 -0.64 3.54 0.00 -1.53 -1.73 119.26 119.00 1ogy h ALA 512 Ca -0.45 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.13 1ogy h ALA 512 Cb 1.30 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.89 1ogy h ALA 512 CO 0.57 -0.21 0.24 -0.85 0.00 0.00 0.00 179.25 179.00 1ogy n GLU 513 N -2.46 2.03 -2.19 0.00 0.28 -1.26 -4.72 120.64 112.31 1ogy n GLU 513 Ca -0.01 -3.12 -0.14 0.00 -0.16 0.00 0.00 57.16 53.72 1ogy n GLU 513 Cb 0.29 -1.98 -0.01 0.00 1.43 0.00 0.00 31.44 31.17 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 -1.13 -1.14 -3.47 3.44 1.74 -0.65 -4.70 116.66 110.74 1ogy n ARG 514 Ca 0.45 0.73 -0.39 0.00 -0.77 0.00 0.00 57.85 57.87 1ogy n ARG 514 Cb 1.32 -5.02 -0.10 0.00 -1.02 0.00 0.00 32.46 27.65 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 -4.58 3.83 -0.35 5.56 3.52 -1.23 -0.06 118.95 125.63 1ogy s ARG 515 Ca 0.00 -0.26 -0.11 0.00 -0.13 0.00 0.00 55.73 55.24 1ogy s ARG 515 Cb 0.00 -3.71 0.02 0.00 -1.56 0.00 0.00 34.95 29.70 1ogy s ARG 515 CO 0.00 -0.32 0.19 0.99 -0.81 0.00 0.00 175.30 175.35 1ogy s THR 516 N 1.92 4.59 0.08 4.11 2.01 -1.10 -0.67 115.64 126.58 1ogy s THR 516 Ca 0.11 -0.71 0.08 0.00 0.31 0.00 0.00 61.69 61.47 1ogy s THR 516 Cb -0.16 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 1ogy s THR 516 CO 0.11 -0.14 -0.21 -1.38 -0.69 0.00 0.00 174.62 172.31 1ogy s HIS 517 N 1.57 1.81 0.52 4.92 -3.43 0.14 -3.56 115.29 117.27 1ogy s HIS 517 Ca 0.03 -0.40 0.08 0.00 -0.80 0.00 0.00 55.06 53.97 1ogy s HIS 517 Cb -0.18 -1.03 0.08 0.00 -1.43 0.00 0.00 32.58 30.02 1ogy s HIS 517 CO 0.07 0.16 0.65 1.19 -2.00 0.00 0.00 174.74 174.81 1ogy n PHE 518 N 1.41 -1.96 -3.64 0.38 3.01 -1.26 -0.28 117.46 115.12 1ogy n PHE 518 Ca -0.18 -1.98 -0.06 0.00 1.01 0.00 0.00 57.45 56.23 1ogy n PHE 518 Cb 0.53 -0.48 -0.07 0.00 -0.01 0.00 0.00 39.48 39.45 1ogy n PHE 518 CO 0.00 0.00 0.00 1.67 1.01 0.00 0.00 176.76 179.44 1ogy s TRP 519 N -2.34 -0.36 0.83 1.38 -2.14 -0.09 -4.43 118.94 111.80 1ogy s TRP 519 Ca 0.49 0.84 -0.11 0.00 2.66 0.00 0.00 56.10 59.99 1ogy s TRP 519 Cb -0.04 0.38 0.13 0.00 -3.10 0.00 0.00 33.47 30.84 1ogy s TRP 519 CO 0.31 -0.17 1.17 -1.01 -2.66 0.00 0.00 176.95 174.59 1ogy s HIS 520 N 0.34 2.21 -0.21 1.66 3.76 -1.26 -1.07 115.29 120.72 1ogy s HIS 520 Ca 0.02 0.35 -0.23 0.00 -0.15 0.00 0.00 55.06 55.06 1ogy s HIS 520 Cb -0.05 -3.59 -0.02 0.00 1.11 0.00 0.00 32.58 30.04 1ogy s HIS 520 CO -0.10 -2.01 0.72 -1.14 -0.85 0.00 0.00 174.74 171.35 1ogy s GLN 521 N -5.55 4.21 -0.02 1.40 0.74 -1.26 -4.52 119.66 114.66 1ogy s GLN 521 Ca 0.67 0.77 0.20 0.00 0.05 0.00 0.00 55.36 57.04 1ogy s GLN 521 Cb -0.07 -3.60 -0.30 0.00 1.10 0.00 0.00 33.01 30.14 1ogy s GLN 521 CO 0.49 -0.34 0.47 1.28 -0.55 0.00 0.00 175.29 176.64 1ogy n LEU 522 N 5.39 0.08 -3.95 3.68 4.32 -0.40 -3.91 117.00 122.20 1ogy n LEU 522 Ca 0.02 -0.05 -0.10 0.00 -0.02 0.00 0.00 56.01 55.86 1ogy n LEU 522 Cb 0.49 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.22 1ogy n LEU 522 CO 0.45 0.02 0.02 0.68 -1.22 0.00 0.00 177.39 177.34 1ogy s VAL 523 N -3.33 0.05 0.07 4.08 -7.23 -1.11 -4.86 120.40 108.08 1ogy s VAL 523 Ca -0.06 -1.35 -0.10 0.00 -1.81 0.00 0.00 61.98 58.66 1ogy s VAL 523 Cb 0.13 -1.87 -0.06 0.00 0.56 0.00 0.00 36.38 35.14 1ogy s VAL 523 CO 0.82 -0.24 0.39 -1.61 -0.31 0.00 0.00 175.10 174.15 1ogy s GLU 524 N -3.97 3.75 0.64 4.82 2.02 -1.26 -4.22 118.70 120.49 1ogy s GLU 524 Ca 0.18 0.17 -0.15 0.00 0.02 0.00 0.00 54.97 55.18 1ogy s GLU 524 Cb 0.03 -3.00 -0.01 0.00 0.10 0.00 0.00 34.13 31.24 1ogy s GLU 524 CO 0.01 0.57 1.09 0.00 0.02 0.00 0.00 175.26 176.95 1ogy s ALA 525 N -1.39 2.55 0.38 5.21 0.00 -1.26 -4.97 121.76 122.28 1ogy s ALA 525 Ca 0.33 0.49 -0.25 0.00 0.00 0.00 0.00 51.96 52.53 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 0.18 -1.16 1.07 -1.25 0.00 0.00 0.00 175.76 174.61 1ogy s PRO 526 N -4.12 4.20 5.90 0.00 0.04 -1.26 -4.80 135.00 134.95 1ogy s PRO 526 Ca 0.66 1.59 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1ogy s PRO 526 Cb -0.19 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.71 1ogy s PRO 526 CO 0.41 -0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.73 1ogy n GLY 527 N 0.50 3.43 1.73 0.56 0.00 -1.26 -2.69 105.19 107.46 1ogy n GLY 527 Ca 0.04 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.10 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 4.40 -2.53 1.61 -0.58 -0.11 -4.99 120.64 132.44 1ogy n GLU 528 Ca 0.00 -3.11 -0.36 0.00 -0.42 0.00 0.00 57.16 53.27 1ogy n GLU 528 Cb 0.00 -2.19 -0.04 0.00 -0.57 0.00 0.00 31.44 28.64 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 -2.82 3.06 0.01 0.62 0.00 -1.09 -4.87 121.76 116.67 1ogy s ALA 529 Ca 0.53 0.70 -0.02 0.00 0.00 0.00 0.00 51.96 53.17 1ogy s ALA 529 Cb 0.41 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 20.24 1ogy s ALA 529 CO 0.14 -0.24 0.01 1.03 0.00 0.00 0.00 175.76 176.71 1ogy s ARG 530 N -2.59 0.34 0.75 0.00 1.81 -1.13 -4.56 118.95 113.57 1ogy s ARG 530 Ca 0.59 -0.53 -0.16 0.00 -1.72 0.00 0.00 55.73 53.92 1ogy s ARG 530 Cb -0.22 0.13 -0.04 0.00 -0.45 0.00 0.00 34.95 34.37 1ogy s ARG 530 CO 0.27 -0.06 0.44 -1.13 -0.68 0.00 0.00 175.30 174.13 1ogy n SER 531 N 1.64 -1.57 0.23 0.23 3.41 -1.26 -2.19 113.62 114.10 1ogy n SER 531 Ca -0.23 0.55 0.07 0.00 -0.26 0.00 0.00 58.87 59.00 1ogy n SER 531 Cb 0.55 -1.18 0.55 0.00 -0.26 0.00 0.00 64.21 63.87 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 -0.51 0.00 0.41 4.04 3.32 -1.94 -1.01 116.42 120.74 1ogy h ASP 532 Ca -0.45 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.58 1ogy h ASP 532 Cb 1.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.90 1ogy h ASP 532 CO 0.41 0.20 -0.20 0.25 -1.72 0.00 0.00 179.24 178.17 1ogy h LEU 533 N 0.00 -0.48 -0.23 1.55 5.85 -1.92 -0.10 115.31 119.98 1ogy h LEU 533 Ca -0.00 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.78 1ogy h LEU 533 Cb 0.39 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 1ogy h LEU 533 CO 0.03 -0.34 -0.03 -0.25 -0.34 0.00 0.00 178.44 177.50 1ogy h TRP 534 N -0.56 -0.08 -0.47 1.25 7.01 -1.72 0.46 115.95 121.84 1ogy h TRP 534 Ca -0.06 0.02 0.10 0.00 2.11 0.00 0.00 58.89 61.06 1ogy h TRP 534 Cb 0.43 0.07 -0.10 0.00 -2.10 0.00 0.00 29.16 27.47 1ogy h TRP 534 CO -0.05 -0.07 -0.18 1.96 -2.79 0.00 0.00 178.44 177.30 1ogy h GLN 535 N 0.03 -0.08 0.84 2.65 4.20 -0.85 0.33 115.11 122.23 1ogy h GLN 535 Ca 0.11 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.78 1ogy h GLN 535 Cb 0.16 0.02 0.01 0.00 0.30 0.00 0.00 27.48 27.96 1ogy h GLN 535 CO -0.21 -0.05 -0.40 -0.07 -0.67 0.00 0.00 178.83 177.42 1ogy h LEU 536 N -0.08 -0.95 -0.53 1.46 4.07 -0.42 -1.23 115.31 117.62 1ogy h LEU 536 Ca 0.22 0.03 0.11 0.00 0.08 0.00 0.00 57.88 58.32 1ogy h LEU 536 Cb 0.43 0.25 -0.09 0.00 1.08 0.00 0.00 40.66 42.32 1ogy h LEU 536 CO -0.52 -0.68 -0.06 0.24 -1.08 0.00 0.00 178.44 176.33 1ogy h MET 537 N -1.13 0.06 -0.65 1.13 2.86 -0.56 -1.95 114.93 114.69 1ogy h MET 537 Ca -0.12 -0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.48 1ogy h MET 537 Cb 0.86 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.48 1ogy h MET 537 CO 0.19 0.04 0.26 1.49 1.06 0.00 0.00 176.91 179.95 1ogy h GLU 538 N 0.06 0.97 0.00 1.72 4.57 -0.35 -1.60 114.58 119.95 1ogy h GLU 538 Ca 0.27 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1ogy h GLU 538 Cb 0.41 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1ogy h GLU 538 CO -0.50 0.82 0.00 0.35 -1.18 0.00 0.00 179.01 178.50 1ogy h PHE 539 N 0.92 0.00 0.15 0.92 3.57 -0.47 -2.00 116.94 120.03 1ogy h PHE 539 Ca 0.22 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 1ogy h PHE 539 Cb 0.20 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1ogy h PHE 539 CO 0.01 0.00 -0.07 0.77 -2.23 0.00 0.00 178.31 176.79 1ogy h SER 540 N 0.00 -0.18 0.00 0.41 0.02 -0.75 -3.29 113.55 109.76 1ogy h SER 540 Ca 0.00 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1ogy h SER 540 Cb 0.09 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1ogy h SER 540 CO 0.00 0.30 0.00 0.29 -1.14 0.00 0.00 176.83 176.28 1ogy n LYS 541 N -4.96 0.00 -0.07 3.45 5.02 -0.75 -1.72 118.16 119.13 1ogy n LYS 541 Ca -0.08 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.18 1ogy n LYS 541 Cb 0.26 -1.40 -0.16 0.00 -0.02 0.00 0.00 35.03 33.71 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 -0.53 0.69 -3.97 1.97 3.00 -1.24 -4.95 116.66 111.63 1ogy n ARG 542 Ca 0.00 -0.08 -0.25 0.00 -0.01 0.00 0.00 57.85 57.52 1ogy n ARG 542 Cb 0.00 -1.52 -0.03 0.00 0.00 0.00 0.00 32.46 30.91 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 -2.85 3.44 0.11 -1.55 0.40 -0.70 -5.00 117.98 111.83 1ogy s PHE 543 Ca -0.09 0.06 0.10 0.00 -0.60 0.00 0.00 56.93 56.40 1ogy s PHE 543 Cb 0.09 -1.62 -0.04 0.00 0.51 0.00 0.00 43.02 41.96 1ogy s PHE 543 CO 0.85 0.50 -0.26 -0.08 0.70 0.00 0.00 175.22 176.93 1ogy s THR 544 N -1.82 2.14 0.59 0.64 -1.32 -1.26 -0.59 115.64 114.02 1ogy s THR 544 Ca 0.34 -1.67 0.29 0.00 -1.21 0.00 0.00 61.69 59.44 1ogy s THR 544 Cb -0.10 -1.89 0.37 0.00 -1.51 0.00 0.00 72.50 69.37 1ogy s THR 544 CO 0.28 0.10 1.96 0.71 -2.21 0.00 0.00 174.62 175.46 1ogy h THR 545 N 3.97 0.38 0.00 5.08 1.35 -1.55 -2.77 112.91 119.37 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 1.17 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1ogy h THR 545 CO 0.40 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 176.14 1ogy n ASP 546 N -3.70 0.00 0.00 5.36 8.00 -1.26 -2.71 116.55 122.23 1ogy n ASP 546 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1ogy n ASP 546 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 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 -0.09 -1.24 1.02 -1.18 -1.42 120.64 117.73 1ogy n GLU 547 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 1ogy n GLU 547 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.30 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 1.18 -2.96 2.62 0.31 -1.05 -5.02 118.33 113.41 1ogy n VAL 548 Ca 0.00 -0.65 -0.31 0.00 -0.01 0.00 0.00 64.34 63.37 1ogy n VAL 548 Cb 0.00 -0.75 -0.05 0.00 -0.91 0.00 0.00 33.84 32.13 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 -2.41 3.42 0.38 3.52 0.52 -0.51 -4.88 118.94 118.98 1ogy s TRP 549 Ca -0.14 1.14 -0.27 0.00 0.02 0.00 0.00 56.10 56.85 1ogy s TRP 549 Cb 0.06 -2.50 -0.09 0.00 -1.15 0.00 0.00 33.47 29.78 1ogy s TRP 549 CO 0.64 -0.03 1.29 -1.25 0.02 0.00 0.00 176.95 177.61 1ogy s PRO 550 N -3.46 4.13 0.28 4.98 0.04 -1.26 -4.85 135.00 134.85 1ogy s PRO 550 Ca 0.53 2.14 -0.01 0.00 0.04 0.00 0.00 61.00 63.69 1ogy s PRO 550 Cb -0.10 -2.87 0.45 0.00 0.04 0.00 0.00 34.50 32.02 1ogy s PRO 550 CO 0.25 -0.35 1.89 1.05 0.04 0.00 0.00 177.00 179.88 1ogy h GLU 551 N 2.94 1.10 0.13 4.56 4.11 -1.95 -2.59 114.58 122.88 1ogy h GLU 551 Ca -0.49 -0.07 0.01 0.00 0.07 0.00 0.00 59.36 58.88 1ogy h GLU 551 Cb 1.24 -0.25 -0.05 0.00 0.50 0.00 0.00 28.75 30.19 1ogy h GLU 551 CO 0.64 0.73 -0.52 0.93 0.07 0.00 0.00 179.01 180.86 1ogy h GLU 552 N 1.14 -0.72 -0.83 1.06 5.08 -1.99 0.39 114.58 118.70 1ogy h GLU 552 Ca 0.42 0.05 0.19 0.00 -1.00 0.00 0.00 59.36 59.02 1ogy h GLU 552 Cb 0.17 0.16 -0.12 0.00 0.50 0.00 0.00 28.75 29.47 1ogy h GLU 552 CO -0.16 -0.48 0.31 0.82 -1.00 0.00 0.00 179.01 178.50 1ogy h ILE 553 N -0.74 0.51 0.63 3.13 2.04 -1.89 -0.25 117.51 120.94 1ogy h ILE 553 Ca -0.01 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 1ogy h ILE 553 Cb 0.74 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1ogy h ILE 553 CO -0.28 0.07 -0.35 -0.07 0.00 0.00 0.00 178.15 177.52 1ogy h LEU 554 N 0.36 -0.85 -0.99 1.44 3.38 -0.77 -2.06 115.31 115.82 1ogy h LEU 554 Ca 0.49 0.04 0.17 0.00 0.09 0.00 0.00 57.88 58.67 1ogy h LEU 554 Cb 0.88 0.24 -0.17 0.00 0.09 0.00 0.00 40.66 41.70 1ogy h LEU 554 CO -0.51 -0.56 -0.34 -1.54 0.09 0.00 0.00 178.44 175.57 1ogy n SER 555 N -5.49 -0.56 -0.26 -0.43 3.41 0.12 0.18 113.62 110.59 1ogy n SER 555 Ca -0.13 1.72 0.08 0.00 -0.26 0.00 0.00 58.87 60.29 1ogy n SER 555 Cb 0.38 -0.43 0.33 0.00 -0.26 0.00 0.00 64.21 64.23 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 1.56 1.71 -2.89 7.33 0.00 -0.87 -3.37 119.26 122.73 1ogy h ALA 556 Ca 0.39 -0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.73 1ogy h ALA 556 Cb 0.63 -0.18 -0.40 0.00 0.00 0.00 0.00 17.79 17.84 1ogy h ALA 556 CO -1.00 0.11 -0.78 0.00 0.00 0.00 0.00 179.25 177.58 1ogy s ALA 557 N -5.75 1.06 0.16 0.00 0.00 0.48 -5.01 121.76 112.70 1ogy s ALA 557 Ca -0.10 -1.49 -0.24 0.00 0.00 0.00 0.00 51.96 50.12 1ogy s ALA 557 Cb 0.21 -1.53 0.03 0.00 0.00 0.00 0.00 23.12 21.83 1ogy s ALA 557 CO 0.79 -1.75 1.60 -1.00 0.00 0.00 0.00 175.76 175.39 1ogy h PRO 558 N 7.98 -0.29 -5.45 0.00 0.13 -1.71 -3.23 132.00 129.44 1ogy h PRO 558 Ca -0.13 0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 64.84 1ogy h PRO 558 Cb 1.00 0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.17 1ogy h PRO 558 CO 0.43 -0.19 0.50 0.00 -0.23 0.00 0.00 178.00 178.51 1ogy s ALA 559 N -5.98 1.22 0.00 -0.56 0.00 -1.26 -0.68 121.76 114.50 1ogy s ALA 559 Ca -0.15 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.33 1ogy s ALA 559 Cb 0.12 -4.62 0.00 0.00 0.00 0.00 0.00 23.12 18.63 1ogy s ALA 559 CO 0.67 -5.60 0.00 0.66 0.00 0.00 0.00 175.76 171.49 1ogy n TYR 560 N 16.36 0.00 -3.47 0.00 0.53 -1.22 -5.07 117.16 124.29 1ogy n TYR 560 Ca 0.43 0.00 -0.17 0.00 -1.02 0.00 0.00 57.90 57.14 1ogy n TYR 560 Cb 0.46 0.00 -0.12 0.00 -1.03 0.00 0.00 39.34 38.65 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 0.22 0.96 -0.72 0.52 0.14 -4.60 118.95 115.48 1ogy s ARG 561 Ca 0.00 0.21 0.00 0.00 -0.52 0.00 0.00 55.73 55.42 1ogy s ARG 561 Cb 0.00 -1.10 0.00 0.00 0.52 0.00 0.00 34.95 34.37 1ogy s ARG 561 CO 0.00 -0.68 0.00 0.41 0.02 0.00 0.00 175.30 175.05 1ogy n GLY 562 N 5.32 1.09 5.09 -3.53 0.00 -1.26 -4.96 105.19 106.94 1ogy n GLY 562 Ca -0.05 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.44 118.16 121.74 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 -0.59 -1.54 -0.18 -2.24 -1.25 -4.40 114.28 104.08 1ogy n THR 564 Ca 0.00 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.39 1ogy n THR 564 Cb 0.00 -0.59 -0.05 0.00 -2.10 0.00 0.00 70.33 67.58 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 -0.13 2.06 0.00 3.22 4.77 0.24 -0.26 117.00 126.91 1ogy n LEU 565 Ca 0.00 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1ogy n LEU 565 Cb 0.00 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 39.65 1ogy n LEU 565 CO 0.00 -1.24 0.00 0.33 -1.33 0.00 0.00 177.39 175.15 1ogy n PHE 566 N 13.90 0.00 -0.10 -1.77 7.35 -1.26 -3.05 117.46 132.52 1ogy n PHE 566 Ca 0.42 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 57.01 1ogy n PHE 566 Cb 0.41 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.22 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 0.46 0.00 -4.13 5.08 -0.83 2.01 114.58 117.17 1ogy h GLU 567 Ca 0.00 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 1ogy h GLU 567 Cb 0.00 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1ogy h GLU 567 CO 0.00 0.46 -0.40 0.28 -1.00 0.00 0.00 179.01 178.35 1ogy h VAL 568 N 0.36 1.00 0.00 3.13 2.07 -1.79 -2.64 116.25 118.39 1ogy h VAL 568 Ca 0.10 -1.53 -0.25 0.00 0.82 0.00 0.00 66.70 65.85 1ogy h VAL 568 Cb 0.17 1.90 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 1ogy h VAL 568 CO -0.01 0.39 -1.93 0.18 0.02 0.00 0.00 177.57 176.23 1ogy n LEU 569 N -3.65 1.10 0.00 2.57 4.77 -0.91 -4.71 117.00 116.16 1ogy n LEU 569 Ca -0.01 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1ogy n LEU 569 Cb 0.50 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1ogy n LEU 569 CO 0.37 0.49 0.03 0.49 -1.33 0.00 0.00 177.39 177.45 1ogy n PHE 570 N -2.67 0.00 -2.01 -1.77 3.01 0.58 -4.72 117.46 109.89 1ogy n PHE 570 Ca -0.25 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 57.96 1ogy n PHE 570 Cb 0.89 0.00 0.02 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 -0.57 5.18 0.35 4.37 0.00 0.41 -3.82 120.51 126.44 1ogy n ALA 571 Ca 0.00 -3.83 0.15 0.00 0.00 0.00 0.00 53.44 49.76 1ogy n ALA 571 Cb 0.01 -0.52 0.54 0.00 0.00 0.00 0.00 19.45 19.49 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 2.22 0.00 0.00 0.00 2.35 -1.69 -3.44 115.58 115.03 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 1.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.74 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 0.24 0.70 0.51 2.83 0.00 -1.26 -4.83 105.19 103.37 1ogy n GLY 573 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 1.41 0.20 1.61 2.88 -1.26 -4.20 113.62 114.25 1ogy n SER 574 Ca 0.00 0.23 0.09 0.00 -1.33 0.00 0.00 58.87 57.86 1ogy n SER 574 Cb 0.00 -0.53 0.25 0.00 -0.75 0.00 0.00 64.21 63.19 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 -0.57 0.42 0.00 2.46 2.07 -1.85 -2.88 116.25 115.91 1ogy h VAL 575 Ca -0.16 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 65.99 1ogy h VAL 575 Cb 0.87 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1ogy h VAL 575 CO -0.09 0.22 -0.21 0.47 0.02 0.00 0.00 177.57 177.97 1ogy n ASP 576 N -3.22 0.68 -0.18 0.57 10.43 -1.25 -4.35 116.55 119.24 1ogy n ASP 576 Ca 0.02 0.40 0.03 0.00 2.57 0.00 0.00 54.79 57.80 1ogy n ASP 576 Cb 0.55 -0.44 0.06 0.00 1.84 0.00 0.00 41.12 43.13 1ogy n ASP 576 CO 0.00 0.00 0.00 -1.14 -1.07 0.00 0.00 177.20 174.99 1ogy n ARG 577 N -2.11 -0.05 -3.78 -1.24 0.63 -1.09 -4.40 116.66 104.62 1ogy n ARG 577 Ca 0.05 0.76 -0.35 0.00 -0.92 0.00 0.00 57.85 57.39 1ogy n ARG 577 Cb 0.42 -1.14 -0.08 0.00 0.45 0.00 0.00 32.46 32.11 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 -5.60 3.44 0.88 -0.14 0.40 -1.26 -5.07 117.98 110.62 1ogy s PHE 578 Ca -0.07 0.36 -0.11 0.00 -0.60 0.00 0.00 56.93 56.50 1ogy s PHE 578 Cb 0.13 -2.10 0.12 0.00 0.51 0.00 0.00 43.02 41.67 1ogy s PHE 578 CO 0.38 0.38 1.09 -1.25 0.70 0.00 0.00 175.22 176.52 1ogy s PRO 579 N 0.05 1.40 0.00 0.24 0.04 -1.26 -1.84 135.00 133.63 1ogy s PRO 579 Ca 0.09 0.94 0.03 0.00 0.04 0.00 0.00 61.00 62.10 1ogy s PRO 579 Cb -0.11 -1.82 0.15 0.00 0.04 0.00 0.00 34.50 32.76 1ogy s PRO 579 CO -0.01 -2.17 1.03 0.00 0.04 0.00 0.00 177.00 175.89 1ogy n ALA 580 N -3.85 1.23 -1.32 8.56 0.00 -1.18 -4.13 120.51 119.81 1ogy n ALA 580 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1ogy n ALA 580 Cb 0.54 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.41 0.00 -1.90 0.00 2.88 -1.26 -4.45 113.62 107.48 1ogy n SER 581 Ca 0.01 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.41 1ogy n SER 581 Cb 0.03 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.46 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 -3.96 -2.54 -3.46 9.92 -1.26 -4.82 116.55 110.43 1ogy n ASP 582 Ca 0.00 0.25 -0.11 0.00 -0.53 0.00 0.00 54.79 54.40 1ogy n ASP 582 Cb 0.00 -3.50 0.03 0.00 -0.64 0.00 0.00 41.12 37.01 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 -2.69 1.70 -2.02 2.53 3.14 -1.26 -5.02 118.33 114.72 1ogy n VAL 583 Ca -0.15 -3.51 0.00 0.00 -2.96 0.00 0.00 64.34 57.72 1ogy n VAL 583 Cb 0.54 0.26 0.00 0.00 -1.06 0.00 0.00 33.84 33.58 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 -0.55 -4.25 -0.32 6.55 2.85 -1.26 -4.74 115.26 113.54 1ogy n ASN 584 Ca 0.21 1.32 -0.01 0.00 -0.11 0.00 0.00 54.58 55.99 1ogy n ASN 584 Cb 0.84 -3.18 0.05 0.00 1.24 0.00 0.00 39.78 38.73 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 3.97 -0.04 -7.45 1.20 0.11 -1.99 -3.38 132.00 124.41 1ogy h PRO 585 Ca 0.00 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.64 1ogy h PRO 585 Cb 0.00 0.01 0.12 0.00 0.11 0.00 0.00 31.00 31.24 1ogy h PRO 585 CO 0.00 -0.03 0.31 -0.51 -0.21 0.00 0.00 178.00 177.56 1ogy s ASP 586 N -5.28 3.88 0.10 -2.05 1.01 -1.26 -4.86 116.67 108.21 1ogy s ASP 586 Ca -0.14 1.13 0.00 0.00 0.71 0.00 0.00 52.55 54.24 1ogy s ASP 586 Cb 0.20 -1.77 0.00 0.00 1.01 0.00 0.00 42.92 42.36 1ogy s ASP 586 CO 0.72 -2.33 0.00 1.41 0.21 0.00 0.00 175.17 175.18 1ogy n HIS 587 N -3.64 -1.78 -2.78 4.23 8.25 -1.26 -5.05 115.22 113.18 1ogy n HIS 587 Ca 0.07 1.02 -0.20 0.00 -0.26 0.00 0.00 57.72 58.35 1ogy n HIS 587 Cb 0.58 -2.49 0.03 0.00 1.12 0.00 0.00 29.99 29.23 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 -0.65 4.14 -0.38 -1.41 0.00 -1.25 -4.88 121.76 117.32 1ogy s ALA 588 Ca 0.00 -1.52 0.05 0.00 0.00 0.00 0.00 51.96 50.48 1ogy s ALA 588 Cb 0.00 -1.89 0.16 0.00 0.00 0.00 0.00 23.12 21.40 1ogy s ALA 588 CO 0.00 -0.66 0.45 1.21 0.00 0.00 0.00 175.76 176.76 1ogy s ASN 589 N -4.44 0.34 0.50 0.00 3.84 -1.26 -4.14 114.94 109.78 1ogy s ASN 589 Ca 0.58 -1.31 0.23 0.00 0.21 0.00 0.00 52.86 52.57 1ogy s ASN 589 Cb -0.10 0.99 1.30 0.00 -0.55 0.00 0.00 41.25 42.89 1ogy s ASN 589 CO 0.37 -0.24 1.95 1.12 -2.79 0.00 0.00 177.10 177.51 1ogy h HIS 590 N 7.08 0.17 0.00 0.43 2.07 -1.96 0.24 115.15 123.17 1ogy h HIS 590 Ca 0.05 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.57 1ogy h HIS 590 Cb 1.09 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 31.02 1ogy h HIS 590 CO 0.27 0.06 0.00 0.39 -3.07 0.00 0.00 177.93 175.58 1ogy n GLU 591 N -4.40 0.68 -0.00 5.12 1.02 -1.26 -2.28 120.64 119.52 1ogy n GLU 591 Ca 0.13 0.01 0.04 0.00 -0.02 0.00 0.00 57.16 57.33 1ogy n GLU 591 Cb 0.65 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.50 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 -1.11 2.53 0.14 0.62 0.00 0.79 -4.41 120.51 119.06 1ogy n ALA 592 Ca 0.18 -0.22 -0.23 0.00 0.00 0.00 0.00 53.44 53.17 1ogy n ALA 592 Cb 0.14 -0.30 -0.15 0.00 0.00 0.00 0.00 19.45 19.13 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 0.90 -0.11 -2.58 0.00 0.00 -1.20 -3.41 119.26 112.86 1ogy h ALA 593 Ca 0.00 -0.85 -0.55 0.00 0.00 0.00 0.00 54.91 53.51 1ogy h ALA 593 Cb 0.35 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1ogy h ALA 593 CO 0.00 0.72 -0.06 -0.51 0.00 0.00 0.00 179.25 179.40 1ogy s LEU 594 N -7.59 4.32 0.21 0.00 1.43 -0.97 -4.81 118.68 111.28 1ogy s LEU 594 Ca -0.08 1.11 0.00 0.00 -1.03 0.00 0.00 54.13 54.12 1ogy s LEU 594 Cb 0.05 -3.34 0.00 0.00 0.03 0.00 0.00 46.19 42.92 1ogy s LEU 594 CO 0.94 0.08 0.00 0.49 0.23 0.00 0.00 176.35 178.09 1ogy n PHE 595 N 0.71 -1.41 0.79 0.29 3.72 -1.26 -4.64 117.46 115.67 1ogy n PHE 595 Ca -0.04 0.77 0.09 0.00 -0.05 0.00 0.00 57.45 58.21 1ogy n PHE 595 Cb 0.52 -1.39 0.01 0.00 -0.94 0.00 0.00 39.48 37.67 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 -2.35 0.05 0.00 1.37 0.00 -1.26 -4.70 105.19 98.29 1ogy n GLY 596 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 0.06 0.00 -3.41 1.61 -1.74 -1.26 -3.13 117.46 109.59 1ogy n PHE 597 Ca 0.08 0.00 -0.27 0.00 -0.56 0.00 0.00 57.45 56.70 1ogy n PHE 597 Cb 0.39 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.28 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 2.58 0.70 0.14 2.97 5.04 -0.77 -3.92 117.35 124.10 1ogy s TYR 598 Ca 0.00 -1.79 -0.29 0.00 -2.44 0.00 0.00 57.07 52.55 1ogy s TYR 598 Cb 0.00 -0.83 -0.08 0.00 0.35 0.00 0.00 41.96 41.40 1ogy s TYR 598 CO 0.00 -0.85 1.49 -1.35 -1.34 0.00 0.00 175.55 173.50 1ogy h PRO 599 N 6.46 -0.11 -0.23 4.97 0.11 -1.83 -2.13 132.00 139.25 1ogy h PRO 599 Ca 0.14 0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.31 1ogy h PRO 599 Cb 0.96 0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.02 1ogy h PRO 599 CO 0.29 -0.07 -0.37 -0.56 -0.21 0.00 0.00 178.00 177.07 1ogy h GLN 600 N -0.11 -0.38 -0.24 1.05 -0.00 -1.95 0.42 115.11 113.90 1ogy h GLN 600 Ca 0.12 0.03 0.05 0.00 -0.00 0.00 0.00 58.65 58.85 1ogy h GLN 600 Cb 0.42 0.09 -0.05 0.00 -0.00 0.00 0.00 27.48 27.94 1ogy h GLN 600 CO -0.75 -0.25 -0.08 -0.22 -0.00 0.00 0.00 178.83 177.52 1ogy h LYS 601 N -0.39 -0.03 0.24 0.06 3.64 -1.88 0.24 116.57 118.45 1ogy h LYS 601 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1ogy h LYS 601 Cb 0.58 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 1ogy h LYS 601 CO -0.44 -0.02 -0.23 0.78 -2.27 0.00 0.00 179.45 177.26 1ogy h GLY 602 N -0.04 -0.52 0.96 5.01 0.00 -0.63 -0.29 103.07 107.56 1ogy h GLY 602 Ca 0.12 0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.71 1ogy h GLY 602 CO -0.27 -0.22 0.18 1.41 0.00 0.00 0.00 176.54 177.65 1ogy h LEU 603 N -0.51 0.42 0.56 3.11 4.07 0.03 -0.00 115.31 122.99 1ogy h LEU 603 Ca -0.01 -0.09 -0.02 0.00 0.08 0.00 0.00 57.88 57.85 1ogy h LEU 603 Cb 0.47 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.08 1ogy h LEU 603 CO -0.05 0.38 -0.51 0.15 -1.08 0.00 0.00 178.44 177.34 1ogy h PHE 604 N 0.42 -1.40 -0.20 1.13 3.57 -0.30 0.27 116.94 120.43 1ogy h PHE 604 Ca 0.12 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 1ogy h PHE 604 Cb 0.06 0.54 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1ogy h PHE 604 CO -0.03 -0.69 0.12 0.93 -2.23 0.00 0.00 178.31 176.41 1ogy h GLU 605 N -1.05 0.27 0.42 1.11 4.39 -0.96 0.51 114.58 119.25 1ogy h GLU 605 Ca -0.07 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 1ogy h GLU 605 Cb 0.90 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1ogy h GLU 605 CO -0.03 0.19 -0.20 1.49 -1.16 0.00 0.00 179.01 179.30 1ogy h GLU 606 N 0.27 -0.54 -1.22 2.33 4.81 -0.51 -3.08 114.58 116.64 1ogy h GLU 606 Ca 0.07 0.04 0.35 0.00 -0.13 0.00 0.00 59.36 59.69 1ogy h GLU 606 Cb -0.00 0.12 -0.09 0.00 0.63 0.00 0.00 28.75 29.41 1ogy h GLU 606 CO -0.01 -0.36 0.82 -0.92 -0.73 0.00 0.00 179.01 177.81 1ogy h TYR 607 N -0.88 0.37 -0.05 0.92 3.20 -0.08 0.16 116.97 120.61 1ogy h TYR 607 Ca -0.06 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 1ogy h TYR 607 Cb 0.43 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.59 1ogy h TYR 607 CO 0.03 -0.02 -0.02 0.00 -1.64 0.00 0.00 178.16 176.51 1ogy h ALA 608 N 1.50 1.87 0.00 1.82 0.00 0.09 -2.19 119.26 122.35 1ogy h ALA 608 Ca 0.66 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.52 1ogy h ALA 608 Cb 2.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.91 1ogy h ALA 608 CO -0.21 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.14 1ogy n ALA 609 N -2.52 1.54 -0.03 0.00 0.00 0.58 -2.44 120.51 117.64 1ogy n ALA 609 Ca -0.02 0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.41 1ogy n ALA 609 Cb 0.13 -1.36 0.03 0.00 0.00 0.00 0.00 19.45 18.26 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 0.83 -1.32 0.00 -1.00 -1.53 -3.43 116.94 110.48 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 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 39.68 1ogy h PHE 610 CO 0.00 1.04 0.00 0.41 -1.61 0.00 0.00 178.31 178.15 1ogy n GLY 611 N 0.22 1.58 2.19 -1.45 0.00 -1.02 -4.85 105.19 101.86 1ogy n GLY 611 Ca -0.03 -1.85 -0.03 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.87 0.00 1.61 1.74 -1.16 -4.67 116.66 111.31 1ogy n ARG 612 Ca 0.00 2.35 0.00 0.00 -0.77 0.00 0.00 57.85 59.43 1ogy n ARG 612 Cb 0.00 -3.59 0.00 0.00 -1.02 0.00 0.00 32.46 27.85 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 1.03 1.06 3.51 -0.13 0.00 -1.26 -4.93 105.19 104.47 1ogy n GLY 613 Ca -0.25 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.37 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 0.72 0.00 1.61 8.25 -1.26 -4.70 115.22 119.84 1ogy n HIS 614 Ca 0.00 0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 1ogy n HIS 614 Cb 0.00 -2.35 0.00 0.00 1.12 0.00 0.00 29.99 28.76 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 6.36 0.73 0.56 -1.41 0.00 -1.26 -4.54 105.19 105.63 1ogy n GLY 615 Ca 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 5.83 -0.49 -1.59 1.61 8.25 -1.26 -2.99 115.22 124.58 1ogy n HIS 616 Ca 0.00 0.00 -0.47 0.00 -0.26 0.00 0.00 57.72 56.99 1ogy n HIS 616 Cb 0.00 -0.51 -0.05 0.00 1.12 0.00 0.00 29.99 30.55 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 0.60 3.03 -4.92 0.41 8.00 -1.26 -3.93 116.55 118.48 1ogy n ASP 617 Ca 0.00 0.57 -0.29 0.00 0.71 0.00 0.00 54.79 55.78 1ogy n ASP 617 Cb 0.00 -1.40 -0.04 0.00 -0.02 0.00 0.00 41.12 39.66 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 6.37 4.27 0.94 0.64 1.43 -1.26 0.72 118.68 131.78 1ogy s LEU 618 Ca 1.00 0.40 -0.15 0.00 -1.03 0.00 0.00 54.13 54.36 1ogy s LEU 618 Cb -0.62 -3.14 0.17 0.00 0.03 0.00 0.00 46.19 42.62 1ogy s LEU 618 CO 0.46 0.03 1.23 0.00 0.23 0.00 0.00 176.35 178.29 1ogy s ALA 619 N -1.73 2.06 0.28 4.21 0.00 -1.26 -4.78 121.76 120.54 1ogy s ALA 619 Ca 0.38 -0.90 -0.30 0.00 0.00 0.00 0.00 51.96 51.15 1ogy s ALA 619 Cb -0.12 -2.89 -0.11 0.00 0.00 0.00 0.00 23.12 20.01 1ogy s ALA 619 CO 0.28 -2.35 1.48 -2.14 0.00 0.00 0.00 175.76 173.02 1ogy s PRO 620 N -5.63 4.22 0.10 0.00 0.02 -1.26 -4.92 135.00 127.53 1ogy s PRO 620 Ca 0.69 2.39 -0.20 0.00 0.02 0.00 0.00 61.00 63.90 1ogy s PRO 620 Cb -0.08 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.32 1ogy s PRO 620 CO 0.52 -0.47 1.26 0.34 -0.33 0.00 0.00 177.00 178.32 1ogy n PHE 621 N 2.02 -0.29 -0.31 6.54 7.35 -1.26 -0.47 117.46 131.04 1ogy n PHE 621 Ca 0.06 0.82 0.22 0.00 -0.76 0.00 0.00 57.45 57.78 1ogy n PHE 621 Cb 0.39 -0.54 0.50 0.00 0.35 0.00 0.00 39.48 40.19 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 0.46 -0.45 -2.13 3.32 -1.99 -1.86 116.42 113.77 1ogy h ASP 622 Ca 0.10 0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.28 1ogy h ASP 622 Cb 0.27 -0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.77 1ogy h ASP 622 CO -0.61 0.11 0.17 0.74 -1.72 0.00 0.00 179.24 177.94 1ogy h THR 623 N 0.42 0.88 0.00 0.35 2.02 -1.14 -2.01 112.91 113.43 1ogy h THR 623 Ca 0.57 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.63 1ogy h THR 623 Cb 1.41 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1ogy h THR 623 CO -0.27 0.07 0.22 1.88 0.37 0.00 0.00 175.52 177.79 1ogy h TYR 624 N 0.36 0.00 0.00 3.16 -1.99 -1.31 0.29 116.97 117.47 1ogy h TYR 624 Ca 0.21 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.90 1ogy h TYR 624 Cb 0.18 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.91 1ogy h TYR 624 CO -0.14 0.00 -0.67 0.45 -0.00 0.00 0.00 178.16 177.80 1ogy h HIS 625 N 0.00 0.00 0.00 4.88 3.86 -1.47 -3.32 115.15 119.11 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 0.45 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.92 1ogy h HIS 625 CO 0.00 0.14 -0.82 0.39 0.86 0.00 0.00 177.93 178.50 1ogy n GLU 626 N -2.91 0.34 -4.48 2.45 -0.58 0.07 -4.93 120.64 110.59 1ogy n GLU 626 Ca 0.00 0.06 -0.24 0.00 -0.42 0.00 0.00 57.16 56.56 1ogy n GLU 626 Cb 0.60 -1.68 -0.10 0.00 -0.57 0.00 0.00 31.44 29.70 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 -3.21 2.41 -1.23 2.62 1.01 -1.07 -5.05 120.40 115.88 1ogy s VAL 627 Ca 0.04 -2.36 -0.07 0.00 0.00 0.00 0.00 61.98 59.59 1ogy s VAL 627 Cb 0.13 -2.38 0.20 0.00 0.00 0.00 0.00 36.38 34.33 1ogy s VAL 627 CO 0.76 -0.36 1.89 0.54 0.00 0.00 0.00 175.10 177.93 1ogy n ARG 628 N -0.66 4.08 -0.42 2.72 3.00 -1.26 -4.84 116.66 119.29 1ogy n ARG 628 Ca -0.05 -3.78 0.03 0.00 -0.01 0.00 0.00 57.85 54.04 1ogy n ARG 628 Cb 0.61 -2.76 -0.02 0.00 0.00 0.00 0.00 32.46 30.29 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 2.13 -2.94 2.88 -0.13 0.00 -1.26 -4.68 105.19 101.19 1ogy n GLY 629 Ca 0.42 -1.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.01 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 -4.52 0.88 0.16 0.99 1.43 -1.23 -4.94 118.68 111.44 1ogy s LEU 630 Ca 0.00 0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 53.01 1ogy s LEU 630 Cb 0.00 0.22 -0.07 0.00 0.03 0.00 0.00 46.19 46.37 1ogy s LEU 630 CO 0.00 -0.14 1.07 -1.00 0.23 0.00 0.00 176.35 176.52 1ogy s HIS 631 N 1.08 3.63 0.18 0.29 3.76 -1.25 -2.71 115.29 120.28 1ogy s HIS 631 Ca -0.09 1.63 -0.08 0.00 -0.15 0.00 0.00 55.06 56.37 1ogy s HIS 631 Cb -0.11 -3.23 -0.06 0.00 1.11 0.00 0.00 32.58 30.28 1ogy s HIS 631 CO -0.05 -0.46 0.48 1.67 -0.85 0.00 0.00 174.74 175.53 1ogy s TRP 632 N -0.13 3.46 -0.76 1.40 1.48 0.91 -2.18 118.94 123.12 1ogy s TRP 632 Ca 0.49 0.76 -0.30 0.00 -1.06 0.00 0.00 56.10 56.00 1ogy s TRP 632 Cb -0.28 -2.17 -0.16 0.00 -1.16 0.00 0.00 33.47 29.71 1ogy s TRP 632 CO 0.33 0.36 2.56 -0.35 -4.06 0.00 0.00 176.95 175.79 1ogy n PRO 633 N 0.08 0.46 -3.15 3.25 -0.05 -1.25 -4.77 135.00 129.57 1ogy n PRO 633 Ca -0.02 0.01 -0.45 0.00 -0.05 0.00 0.00 63.50 63.00 1ogy n PRO 633 Cb 0.52 -2.31 -0.05 0.00 -0.05 0.00 0.00 33.50 31.61 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 10.14 4.88 -0.25 0.52 1.01 0.22 -3.56 120.40 133.36 1ogy s VAL 634 Ca 1.20 -0.99 -0.07 0.00 0.00 0.00 0.00 61.98 62.12 1ogy s VAL 634 Cb -0.82 -4.44 -0.02 0.00 0.00 0.00 0.00 36.38 31.10 1ogy s VAL 634 CO 0.40 -1.04 0.05 -0.69 0.00 0.00 0.00 175.10 173.83 1ogy s VAL 635 N 2.53 4.08 -1.22 2.92 1.01 -0.88 -4.44 120.40 124.40 1ogy s VAL 635 Ca 0.11 -0.33 -0.08 0.00 0.00 0.00 0.00 61.98 61.68 1ogy s VAL 635 Cb -0.24 -2.94 0.01 0.00 0.00 0.00 0.00 36.38 33.21 1ogy s VAL 635 CO 0.07 0.30 1.06 -0.62 0.00 0.00 0.00 175.10 175.91 1ogy n GLU 636 N 4.89 -7.16 -1.22 2.72 1.02 -1.26 -2.37 120.64 117.26 1ogy n GLU 636 Ca -0.16 0.74 -0.08 0.00 -0.02 0.00 0.00 57.16 57.64 1ogy n GLU 636 Cb 0.51 -5.53 -0.03 0.00 -0.02 0.00 0.00 31.44 26.36 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 -1.86 0.92 3.14 0.62 0.00 -1.26 -5.00 105.19 101.75 1ogy n GLY 637 Ca 0.01 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.35 2.95 0.72 1.61 2.02 -1.00 -5.10 118.70 117.54 1ogy s GLU 638 Ca 0.00 -0.82 -0.11 0.00 0.02 0.00 0.00 54.97 54.06 1ogy s GLU 638 Cb 0.00 -2.46 0.02 0.00 0.10 0.00 0.00 34.13 31.80 1ogy s GLU 638 CO 0.00 -0.10 1.07 -1.83 0.02 0.00 0.00 175.26 174.41 1ogy s GLU 639 N 1.04 2.76 -0.24 1.61 -1.05 -1.26 -2.08 118.70 119.48 1ogy s GLU 639 Ca -0.02 0.86 -0.01 0.00 -0.15 0.00 0.00 54.97 55.65 1ogy s GLU 639 Cb -0.14 -1.98 0.03 0.00 -0.44 0.00 0.00 34.13 31.60 1ogy s GLU 639 CO -0.07 -1.20 -0.09 0.99 0.95 0.00 0.00 175.26 175.85 1ogy s THR 640 N -3.09 2.67 -0.02 1.83 2.01 -0.93 -4.96 115.64 113.16 1ogy s THR 640 Ca 0.59 -1.09 -0.02 0.00 0.31 0.00 0.00 61.69 61.47 1ogy s THR 640 Cb -0.14 -2.35 -0.01 0.00 0.01 0.00 0.00 72.50 70.01 1ogy s THR 640 CO 0.55 0.22 0.24 0.03 -0.69 0.00 0.00 174.62 174.96 1ogy h ARG 641 N 7.97 -0.08 -5.11 4.92 3.08 -1.87 -3.42 114.38 119.87 1ogy h ARG 641 Ca -0.33 0.01 -0.63 0.00 0.07 0.00 0.00 59.98 59.10 1ogy h ARG 641 Cb 1.10 0.02 -0.17 0.00 0.08 0.00 0.00 29.97 31.00 1ogy h ARG 641 CO 0.57 -0.06 -0.55 -1.58 -1.07 0.00 0.00 179.97 177.28 1ogy s TRP 642 N -1.73 3.24 0.17 3.04 0.51 -1.26 -4.29 118.94 118.62 1ogy s TRP 642 Ca -0.01 0.03 -0.09 0.00 -2.12 0.00 0.00 56.10 53.91 1ogy s TRP 642 Cb 0.00 -2.20 -0.06 0.00 -0.81 0.00 0.00 33.47 30.39 1ogy s TRP 642 CO 0.04 -0.01 0.48 1.03 -0.51 0.00 0.00 176.95 177.98 1ogy s ARG 643 N 0.98 3.77 -0.74 4.98 0.52 0.03 -3.26 118.95 125.23 1ogy s ARG 643 Ca 0.06 0.19 0.00 0.00 -0.52 0.00 0.00 55.73 55.45 1ogy s ARG 643 Cb -0.14 -2.80 0.00 0.00 0.52 0.00 0.00 34.95 32.53 1ogy s ARG 643 CO 0.03 0.42 0.00 0.66 0.02 0.00 0.00 175.30 176.43 1ogy n TYR 644 N 0.23 -0.17 -4.20 -0.53 4.01 -1.26 -4.73 117.16 110.51 1ogy n TYR 644 Ca -0.03 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.45 1ogy n TYR 644 Cb 0.52 -1.83 -0.17 0.00 -0.31 0.00 0.00 39.34 37.56 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 -3.46 1.70 0.24 -0.72 1.81 -1.26 -3.18 118.95 114.08 1ogy s ARG 645 Ca 0.00 -0.36 -0.31 0.00 -1.72 0.00 0.00 55.73 53.34 1ogy s ARG 645 Cb 0.00 -1.58 -0.13 0.00 -0.45 0.00 0.00 34.95 32.79 1ogy s ARG 645 CO 0.00 -0.15 1.50 -1.91 -0.68 0.00 0.00 175.30 174.07 1ogy n GLU 646 N 4.47 2.28 0.00 3.54 2.13 0.17 -0.07 120.64 133.16 1ogy n GLU 646 Ca -0.17 0.81 0.00 0.00 0.66 0.00 0.00 57.16 58.46 1ogy n GLU 646 Cb 0.51 -2.53 0.00 0.00 0.27 0.00 0.00 31.44 29.68 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 2.45 2.93 0.13 8.31 0.00 -1.26 -4.71 105.19 113.04 1ogy n GLY 647 Ca 0.12 -0.70 -0.23 0.00 0.00 0.00 0.00 46.02 45.21 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 0.66 -3.97 1.61 3.72 -0.32 -4.89 117.46 114.27 1ogy n PHE 648 Ca 0.00 0.22 -0.35 0.00 -0.05 0.00 0.00 57.45 57.27 1ogy n PHE 648 Cb 0.00 -1.08 -0.10 0.00 -0.94 0.00 0.00 39.48 37.36 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 -7.01 5.60 0.08 4.37 3.68 0.90 -4.63 116.67 119.66 1ogy s ASP 649 Ca -0.31 0.05 0.26 0.00 2.13 0.00 0.00 52.55 54.68 1ogy s ASP 649 Cb 0.09 -1.97 1.01 0.00 -1.45 0.00 0.00 42.92 40.60 1ogy s ASP 649 CO 0.61 0.15 1.80 -0.81 0.13 0.00 0.00 175.17 177.05 1ogy n PRO 650 N 3.72 0.09 -0.02 4.34 -0.04 -1.26 -3.04 135.00 138.80 1ogy n PRO 650 Ca -0.16 0.13 0.11 0.00 -0.04 0.00 0.00 63.50 63.53 1ogy n PRO 650 Cb 0.52 -1.61 0.57 0.00 -0.04 0.00 0.00 33.50 32.94 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 -1.76 0.04 -3.64 0.54 4.02 -1.26 -4.63 117.16 110.47 1ogy n TYR 651 Ca 0.06 -0.02 -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 39.53 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 -1.96 4.90 0.30 -0.72 1.01 -1.17 -4.99 120.40 117.76 1ogy s VAL 652 Ca 0.32 -0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.90 1ogy s VAL 652 Cb 0.15 -3.39 -0.10 0.00 0.00 0.00 0.00 36.38 33.04 1ogy s VAL 652 CO 0.25 0.19 1.25 -0.54 0.00 0.00 0.00 175.10 176.26 1ogy s LYS 653 N 1.69 4.43 0.05 2.72 1.02 -1.26 -4.74 119.74 123.65 1ogy s LYS 653 Ca 0.06 2.09 -0.10 0.00 0.02 0.00 0.00 55.97 58.04 1ogy s LYS 653 Cb -0.16 -3.12 -0.02 0.00 -0.52 0.00 0.00 37.83 34.01 1ogy s LYS 653 CO 0.08 -0.10 0.54 -2.30 -0.92 0.00 0.00 175.35 172.65 1ogy n PRO 654 N 1.18 -0.14 -2.82 -1.68 -0.02 -1.26 -2.40 135.00 127.85 1ogy n PRO 654 Ca 0.01 0.53 -0.44 0.00 -2.02 0.00 0.00 63.50 61.58 1ogy n PRO 654 Cb 0.43 -0.77 -0.01 0.00 -0.02 0.00 0.00 33.50 33.13 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 -2.66 2.08 0.22 -1.23 0.00 -1.26 -4.50 107.32 99.96 1ogy s GLY 655 Ca -0.04 -3.11 0.00 0.00 0.00 0.00 0.00 44.72 41.57 1ogy s GLY 655 CO 0.20 2.27 0.00 -2.21 0.00 0.00 0.00 173.10 173.36 1ogy n GLU 656 N 6.69 0.00 0.00 2.90 2.13 -1.01 -5.08 120.64 126.27 1ogy n GLU 656 Ca 0.38 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.20 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 -0.17 1.82 3.21 8.31 0.00 -1.26 -4.90 105.19 112.19 1ogy n GLY 657 Ca 0.00 -0.64 -0.18 0.00 0.00 0.00 0.00 46.02 45.19 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 2.34 -0.32 0.99 1.02 -1.26 0.41 118.68 121.86 1ogy s LEU 658 Ca 0.00 -0.72 -0.05 0.00 0.02 0.00 0.00 54.13 53.38 1ogy s LEU 658 Cb 0.00 -0.55 0.19 0.00 0.02 0.00 0.00 46.19 45.85 1ogy s LEU 658 CO 0.00 -0.11 0.90 -0.60 0.02 0.00 0.00 176.35 176.57 1ogy s ARG 659 N -2.23 0.33 -0.84 1.70 3.52 -1.19 -5.00 118.95 115.25 1ogy s ARG 659 Ca 0.04 0.07 -0.25 0.00 -0.13 0.00 0.00 55.73 55.46 1ogy s ARG 659 Cb -0.07 0.08 -0.19 0.00 -1.56 0.00 0.00 34.95 33.21 1ogy s ARG 659 CO 0.03 -0.54 1.91 1.19 -0.81 0.00 0.00 175.30 177.07 1ogy n PHE 660 N 4.56 1.62 0.33 5.12 3.72 -1.23 -4.69 117.46 126.89 1ogy n PHE 660 Ca 0.08 -1.11 0.00 0.00 -0.05 0.00 0.00 57.45 56.37 1ogy n PHE 660 Cb 0.59 -2.04 0.00 0.00 -0.94 0.00 0.00 39.48 37.09 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 12.79 0.00 0.11 1.38 0.18 -1.26 -1.61 117.16 128.75 1ogy n TYR 661 Ca 0.46 0.00 -0.18 0.00 1.88 0.00 0.00 57.90 60.05 1ogy n TYR 661 Cb 0.44 -0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.26 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 1.07 0.42 -3.44 -7.48 0.00 -1.84 -3.44 103.07 88.37 1ogy h GLY 662 Ca 0.00 -1.04 -0.51 0.00 0.00 0.00 0.00 47.33 45.78 1ogy h GLY 662 CO 0.00 0.91 0.14 0.54 0.00 0.00 0.00 176.54 178.13 1ogy s LYS 663 N -2.71 4.27 0.07 4.80 -0.14 -0.63 -4.72 119.74 120.67 1ogy s LYS 663 Ca -0.06 0.92 -0.25 0.00 -1.36 0.00 0.00 55.97 55.22 1ogy s LYS 663 Cb 0.06 -2.80 -0.16 0.00 -1.68 0.00 0.00 37.83 33.24 1ogy s LYS 663 CO 0.90 0.34 1.62 -1.35 -0.76 0.00 0.00 175.35 176.10 1ogy h PRO 664 N 3.22 -0.18 0.00 -1.68 0.11 -1.85 -2.42 132.00 129.20 1ogy h PRO 664 Ca -0.48 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1ogy h PRO 664 Cb 1.19 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1ogy h PRO 664 CO 0.65 -0.04 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 1ogy n ASP 665 N -5.13 0.18 -1.47 -2.05 5.75 -1.26 -4.90 116.55 107.67 1ogy n ASP 665 Ca -0.09 0.53 -0.10 0.00 -0.01 0.00 0.00 54.79 55.13 1ogy n ASP 665 Cb 0.13 -0.58 0.02 0.00 -1.03 0.00 0.00 41.12 39.67 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 0.47 0.16 3.16 6.12 0.00 -0.91 -5.00 105.19 109.18 1ogy n GLY 666 Ca 0.04 -0.38 -0.26 0.00 0.00 0.00 0.00 46.02 45.43 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 -5.05 1.61 0.18 1.61 0.52 -1.26 -3.48 118.95 113.07 1ogy s ARG 667 Ca 0.14 -0.63 -0.20 0.00 -0.52 0.00 0.00 55.73 54.51 1ogy s ARG 667 Cb -0.06 -1.48 -0.08 0.00 0.52 0.00 0.00 34.95 33.85 1ogy s ARG 667 CO 0.17 0.33 0.70 0.00 0.02 0.00 0.00 175.30 176.51 1ogy s ALA 668 N -0.23 3.46 0.22 2.13 0.00 -0.72 -4.78 121.76 121.85 1ogy s ALA 668 Ca 0.02 0.16 -0.27 0.00 0.00 0.00 0.00 51.96 51.87 1ogy s ALA 668 Cb -0.09 -2.79 -0.09 0.00 0.00 0.00 0.00 23.12 20.15 1ogy s ALA 668 CO 0.01 0.34 0.86 0.08 0.00 0.00 0.00 175.76 177.05 1ogy s VAL 669 N -1.38 4.24 -0.21 0.00 1.01 -0.86 -1.88 120.40 121.32 1ogy s VAL 669 Ca 0.39 1.85 -0.02 0.00 0.00 0.00 0.00 61.98 64.20 1ogy s VAL 669 Cb -0.18 -4.18 0.01 0.00 0.00 0.00 0.00 36.38 32.02 1ogy s VAL 669 CO 0.22 0.44 -0.10 -0.63 0.00 0.00 0.00 175.10 175.03 1ogy s ILE 670 N -1.25 2.85 -0.11 2.22 1.01 -0.32 -4.82 121.20 120.78 1ogy s ILE 670 Ca 0.40 -0.74 -0.13 0.00 0.00 0.00 0.00 60.65 60.18 1ogy s ILE 670 Cb -0.23 -2.30 -0.05 0.00 0.01 0.00 0.00 42.46 39.89 1ogy s ILE 670 CO 0.28 0.42 0.30 -0.22 0.00 0.00 0.00 174.94 175.72 1ogy s LEU 671 N 1.39 4.33 -0.43 2.97 2.96 -1.26 -1.70 118.68 126.94 1ogy s LEU 671 Ca 0.04 0.63 -0.19 0.00 -0.22 0.00 0.00 54.13 54.40 1ogy s LEU 671 Cb -0.14 -2.39 0.02 0.00 0.50 0.00 0.00 46.19 44.18 1ogy s LEU 671 CO -0.07 0.21 0.53 -0.83 -1.32 0.00 0.00 176.35 174.86 1ogy s GLY 672 N -0.17 1.82 0.06 7.98 0.00 0.12 -4.84 107.32 112.28 1ogy s GLY 672 Ca 0.18 -1.41 0.03 0.00 0.00 0.00 0.00 44.72 43.52 1ogy s GLY 672 CO 0.07 1.32 -0.09 0.54 0.00 0.00 0.00 173.10 174.93 1ogy s VAL 673 N 2.42 0.71 -0.07 1.40 0.11 -1.26 -1.50 120.40 122.20 1ogy s VAL 673 Ca 0.16 -1.22 -0.07 0.00 -2.93 0.00 0.00 61.98 57.93 1ogy s VAL 673 Cb -0.16 -0.83 -0.04 0.00 -1.53 0.00 0.00 36.38 33.82 1ogy s VAL 673 CO 0.16 -0.39 0.18 -2.16 -3.33 0.00 0.00 175.10 169.56 1ogy s PRO 674 N -1.83 3.49 0.53 1.54 0.04 -1.26 -4.99 135.00 132.52 1ogy s PRO 674 Ca -0.06 -0.13 -0.22 0.00 0.04 0.00 0.00 61.00 60.63 1ogy s PRO 674 Cb -0.09 -3.16 -0.06 0.00 0.04 0.00 0.00 34.50 31.24 1ogy s PRO 674 CO 0.01 0.74 1.31 0.98 0.04 0.00 0.00 177.00 180.07 1ogy n TYR 675 N 1.65 2.13 -4.13 0.56 9.36 -1.26 -5.01 117.16 120.46 1ogy n TYR 675 Ca -0.17 0.44 -0.10 0.00 3.32 0.00 0.00 57.90 61.40 1ogy n TYR 675 Cb 0.54 -2.34 -0.10 0.00 -0.63 0.00 0.00 39.34 36.81 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 -2.76 0.93 0.38 2.98 2.02 -1.26 -5.07 118.70 115.92 1ogy s GLU 676 Ca 0.70 -1.41 0.01 0.00 0.02 0.00 0.00 54.97 54.30 1ogy s GLU 676 Cb -0.43 0.25 -0.02 0.00 0.10 0.00 0.00 34.13 34.03 1ogy s GLU 676 CO 0.50 -0.26 0.58 -1.25 0.02 0.00 0.00 175.26 174.85 1ogy s PRO 677 N -4.04 3.27 0.81 0.39 0.04 -1.26 -4.90 135.00 129.31 1ogy s PRO 677 Ca 0.23 -0.50 -0.11 0.00 0.04 0.00 0.00 61.00 60.65 1ogy s PRO 677 Cb 0.07 -2.65 0.08 0.00 0.04 0.00 0.00 34.50 32.05 1ogy s PRO 677 CO 0.01 -0.02 1.12 -1.25 0.04 0.00 0.00 177.00 176.91 1ogy s PRO 678 N -4.38 1.82 0.20 0.56 0.04 -1.26 -4.94 135.00 127.04 1ogy s PRO 678 Ca 0.44 1.38 -0.11 0.00 0.04 0.00 0.00 61.00 62.75 1ogy s PRO 678 Cb -0.10 -1.83 0.20 0.00 0.04 0.00 0.00 34.50 32.81 1ogy s PRO 678 CO 0.36 -2.00 1.81 0.00 0.04 0.00 0.00 177.00 177.20 1ogy h ALA 679 N -1.24 0.83 -3.23 8.56 0.00 -1.98 -3.40 119.26 118.79 1ogy h ALA 679 Ca -0.44 0.01 -0.47 0.00 0.00 0.00 0.00 54.91 54.01 1ogy h ALA 679 Cb 1.25 -0.13 -0.38 0.00 0.00 0.00 0.00 17.79 18.54 1ogy h ALA 679 CO 0.48 0.04 -0.78 -2.00 0.00 0.00 0.00 179.25 176.99 1ogy s GLU 680 N -6.11 0.97 0.26 0.00 2.12 -1.26 -5.12 118.70 109.56 1ogy s GLU 680 Ca -0.13 -0.04 0.09 0.00 0.36 0.00 0.00 54.97 55.26 1ogy s GLU 680 Cb 0.15 -1.20 -0.04 0.00 0.26 0.00 0.00 34.13 33.30 1ogy s GLU 680 CO 0.75 -0.28 0.04 -1.12 -0.54 0.00 0.00 175.26 174.12 1ogy s SER 681 N 1.85 4.78 0.49 -1.70 0.01 -1.26 -3.96 113.70 113.90 1ogy s SER 681 Ca 0.05 -0.55 -0.24 0.00 1.31 0.00 0.00 55.95 56.52 1ogy s SER 681 Cb -0.12 -0.98 -0.07 0.00 0.21 0.00 0.00 66.02 65.05 1ogy s SER 681 CO -0.06 -0.01 1.37 -2.16 0.41 0.00 0.00 173.24 172.79 1ogy s PRO 682 N -3.70 3.50 0.00 12.44 0.04 -1.26 -4.51 135.00 141.50 1ogy s PRO 682 Ca 0.32 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.63 1ogy s PRO 682 Cb -0.07 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.98 1ogy s PRO 682 CO 0.21 -0.92 0.00 -0.25 0.04 0.00 0.00 177.00 176.08 1ogy n ASP 683 N -0.52 0.22 -0.06 6.66 8.00 -0.07 -4.94 116.55 125.83 1ogy n ASP 683 Ca 0.07 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.40 1ogy n ASP 683 Cb 0.44 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.40 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 0.70 -0.00 -1.24 2.13 -1.26 -3.75 120.64 117.21 1ogy n GLU 684 Ca 0.00 0.20 -0.13 0.00 0.66 0.00 0.00 57.16 57.89 1ogy n GLU 684 Cb 0.00 -1.63 -0.10 0.00 0.27 0.00 0.00 31.44 29.98 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 -0.07 -3.51 5.31 4.81 -2.01 -3.38 114.58 115.76 1ogy h GLU 685 Ca -0.47 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 58.04 1ogy h GLU 685 Cb 2.01 0.02 -0.33 0.00 0.63 0.00 0.00 28.75 31.08 1ogy h GLU 685 CO 0.02 0.49 -0.11 -0.06 -0.73 0.00 0.00 179.01 178.61 1ogy s PHE 686 N -3.70 3.72 -0.60 0.92 0.40 -1.26 -4.76 117.98 112.70 1ogy s PHE 686 Ca -0.16 -2.71 0.25 0.00 -0.60 0.00 0.00 56.93 53.72 1ogy s PHE 686 Cb 0.01 -3.38 0.86 0.00 0.51 0.00 0.00 43.02 41.02 1ogy s PHE 686 CO 0.62 -0.84 1.76 0.78 0.70 0.00 0.00 175.22 178.24 1ogy h GLY 687 N 6.73 0.00 -4.70 4.36 0.00 -1.65 -0.17 103.07 107.65 1ogy h GLY 687 Ca 0.09 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.81 1ogy h GLY 687 CO 0.80 0.00 -0.35 -1.36 0.00 0.00 0.00 176.54 175.63 1ogy s PHE 688 N -3.20 3.54 -0.01 5.60 0.40 -0.63 -4.77 117.98 118.90 1ogy s PHE 688 Ca 0.08 0.58 -0.24 0.00 -0.60 0.00 0.00 56.93 56.75 1ogy s PHE 688 Cb 0.11 -2.00 -0.04 0.00 0.51 0.00 0.00 43.02 41.59 1ogy s PHE 688 CO 0.53 0.54 0.74 -1.58 0.70 0.00 0.00 175.22 176.15 1ogy s TRP 689 N -1.45 3.65 -0.47 0.36 0.52 0.10 -0.57 118.94 121.09 1ogy s TRP 689 Ca 0.33 1.36 -0.11 0.00 0.02 0.00 0.00 56.10 57.70 1ogy s TRP 689 Cb -0.13 -2.82 0.11 0.00 -1.15 0.00 0.00 33.47 29.48 1ogy s TRP 689 CO 0.20 0.17 0.36 -1.17 0.02 0.00 0.00 176.95 176.54 1ogy s LEU 690 N 0.40 5.66 0.09 2.99 2.96 0.46 -0.52 118.68 130.72 1ogy s LEU 690 Ca 0.38 -1.72 -0.11 0.00 -0.22 0.00 0.00 54.13 52.46 1ogy s LEU 690 Cb -0.19 -2.07 -0.06 0.00 0.50 0.00 0.00 46.19 44.37 1ogy s LEU 690 CO 0.21 -0.68 0.43 -0.69 -1.32 0.00 0.00 176.35 174.29 1ogy s VAL 691 N 1.46 5.04 -0.01 1.68 1.01 0.79 -3.12 120.40 127.25 1ogy s VAL 691 Ca 0.04 0.54 0.02 0.00 0.00 0.00 0.00 61.98 62.59 1ogy s VAL 691 Cb -0.26 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 32.45 1ogy s VAL 691 CO 0.02 0.29 -0.08 -0.89 0.00 0.00 0.00 175.10 174.43 1ogy s THR 692 N -1.40 0.65 0.00 3.92 2.01 -1.21 -2.20 115.64 117.40 1ogy s THR 692 Ca 0.34 -0.33 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1ogy s THR 692 Cb -0.14 -0.55 0.00 0.00 0.01 0.00 0.00 72.50 71.81 1ogy s THR 692 CO 0.18 0.19 0.00 0.61 -0.69 0.00 0.00 174.62 174.91 1ogy n GLY 693 N 2.99 2.97 3.01 4.40 0.00 -1.19 -4.67 105.19 112.71 1ogy n GLY 693 Ca -0.15 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 1ogy n GLY 693 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ogy n ARG 694 N 0.00 0.57 -3.86 1.61 1.74 -1.26 -2.88 116.66 112.58 1ogy n ARG 694 Ca 0.00 -3.10 -0.12 0.00 -0.77 0.00 0.00 57.85 53.86 1ogy n ARG 694 Cb 0.00 1.83 -0.13 0.00 -1.02 0.00 0.00 32.46 33.15 1ogy n ARG 694 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ogy s VAL 695 N -2.99 0.02 0.28 1.55 1.01 -1.26 -4.92 120.40 114.10 1ogy s VAL 695 Ca 0.22 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 1ogy s VAL 695 Cb 0.01 -0.18 0.41 0.00 0.00 0.00 0.00 36.38 36.62 1ogy s VAL 695 CO 0.15 -0.09 1.58 0.25 0.00 0.00 0.00 175.10 176.99 1ogy h LEU 696 N 5.69 -0.66 -0.82 3.92 5.85 -1.97 -1.19 115.31 126.12 1ogy h LEU 696 Ca -0.26 0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1ogy h LEU 696 Cb 1.20 0.52 0.00 0.00 0.37 0.00 0.00 40.66 42.75 1ogy h LEU 696 CO 0.44 -0.31 0.00 -0.33 -0.34 0.00 0.00 178.44 177.90 1ogy h GLU 697 N 0.02 0.00 -5.52 1.25 3.07 -1.94 -3.44 114.58 108.01 1ogy h GLU 697 Ca 0.51 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.85 1ogy h GLU 697 Cb 0.91 0.00 -0.28 0.00 -0.84 0.00 0.00 28.75 28.53 1ogy h GLU 697 CO -0.92 0.00 -0.82 -1.01 -1.40 0.00 0.00 179.01 174.86 1ogy s HIS 698 N -3.38 1.43 -0.36 4.33 3.76 -0.45 -4.89 115.29 115.74 1ogy s HIS 698 Ca 0.04 -0.29 -0.12 0.00 -0.15 0.00 0.00 55.06 54.54 1ogy s HIS 698 Cb 0.09 -0.91 0.01 0.00 1.11 0.00 0.00 32.58 32.88 1ogy s HIS 698 CO 0.45 -0.01 0.22 -0.46 -0.85 0.00 0.00 174.74 174.09 1ogy s TRP 699 N -0.47 3.22 0.00 1.40 -0.11 -1.26 -4.33 118.94 117.39 1ogy s TRP 699 Ca 0.06 -0.60 0.00 0.00 1.22 0.00 0.00 56.10 56.78 1ogy s TRP 699 Cb -0.07 -2.46 0.00 0.00 -1.50 0.00 0.00 33.47 29.45 1ogy s TRP 699 CO -0.00 -0.51 0.00 0.72 -4.62 0.00 0.00 176.95 172.53 1ogy n HIS 700 N 5.05 0.00 1.19 5.86 8.25 -1.26 -0.49 115.22 133.82 1ogy n HIS 700 Ca -0.12 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.46 1ogy n HIS 700 Cb 0.48 0.00 0.64 0.00 1.12 0.00 0.00 29.99 32.23 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 4.48 0.00 0.00 0.41 7.64 -1.26 -3.09 113.62 121.80 1ogy n SER 701 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ogy n SER 701 Cb 0.00 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 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 0.98 0.24 0.32 0.23 0.00 0.35 -4.62 105.19 102.69 1ogy n GLY 702 Ca 0.11 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.32 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 0.24 113.55 118.17 1ogy h SER 703 Ca 0.00 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.01 1ogy h SER 703 Cb 0.44 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.48 1ogy h SER 703 CO 0.00 0.00 -2.04 0.23 -0.87 0.00 0.00 176.83 174.15 1ogy n MET 704 N -3.52 0.40 0.10 4.77 2.00 -1.26 -4.56 117.12 115.05 1ogy n MET 704 Ca -0.03 0.17 -0.05 0.00 0.00 0.00 0.00 57.70 57.79 1ogy n MET 704 Cb 0.09 -1.17 0.10 0.00 0.00 0.00 0.00 33.22 32.23 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 -0.64 1.44 0.00 2.03 1.35 -1.84 -2.44 112.91 112.81 1ogy h THR 705 Ca -0.47 -2.22 0.00 0.00 -0.55 0.00 0.00 66.41 63.17 1ogy h THR 705 Cb 1.42 2.18 0.00 0.00 -1.73 0.00 0.00 68.15 70.02 1ogy h THR 705 CO -0.28 0.65 0.00 0.18 -0.25 0.00 0.00 175.52 175.82 1ogy n LEU 706 N -3.78 0.00 -0.01 3.87 4.77 0.84 -1.79 117.00 120.91 1ogy n LEU 706 Ca -0.02 0.07 0.07 0.00 -0.03 0.00 0.00 56.01 56.09 1ogy n LEU 706 Cb 0.67 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.59 1ogy n LEU 706 CO 0.45 -0.04 -0.59 0.54 -1.33 0.00 0.00 177.39 176.42 1ogy n ARG 707 N -1.07 0.67 -2.70 3.23 1.74 -0.94 -4.75 116.66 112.85 1ogy n ARG 707 Ca 0.10 -0.11 -0.43 0.00 -0.77 0.00 0.00 57.85 56.64 1ogy n ARG 707 Cb 0.07 -1.30 -0.02 0.00 -1.02 0.00 0.00 32.46 30.18 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 -2.87 3.23 0.16 -1.55 0.51 -0.74 -4.84 118.94 112.84 1ogy s TRP 708 Ca -0.04 1.25 -0.22 0.00 -2.12 0.00 0.00 56.10 54.97 1ogy s TRP 708 Cb 0.09 -3.45 0.05 0.00 -0.81 0.00 0.00 33.47 29.35 1ogy s TRP 708 CO 0.57 -0.62 1.62 -1.35 -0.51 0.00 0.00 176.95 176.67 1ogy h PRO 709 N 7.84 -0.22 -0.18 4.98 0.11 -1.88 -1.34 132.00 141.31 1ogy h PRO 709 Ca -0.21 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.91 1ogy h PRO 709 Cb 1.07 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1ogy h PRO 709 CO 0.99 -0.14 0.06 1.05 -0.21 0.00 0.00 178.00 179.75 1ogy h GLU 710 N -0.22 0.25 -0.02 1.05 9.09 -1.92 0.90 114.58 123.69 1ogy h GLU 710 Ca 0.16 -0.02 -0.24 0.00 0.05 0.00 0.00 59.36 59.30 1ogy h GLU 710 Cb 0.47 -0.05 0.02 0.00 -1.65 0.00 0.00 28.75 27.54 1ogy h GLU 710 CO -0.44 0.22 -0.93 -0.07 0.05 0.00 0.00 179.01 177.84 1ogy h LEU 711 N 0.25 0.86 0.74 3.06 3.38 -1.70 -1.31 115.31 120.59 1ogy h LEU 711 Ca 0.06 -0.72 -0.04 0.00 0.09 0.00 0.00 57.88 57.27 1ogy h LEU 711 Cb 0.07 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.56 1ogy h LEU 711 CO -0.01 1.47 -0.35 0.22 0.09 0.00 0.00 178.44 179.86 1ogy h TYR 712 N 0.34 -0.92 -0.93 1.13 3.20 -0.69 -2.56 116.97 116.55 1ogy h TYR 712 Ca -0.11 -0.02 0.23 0.00 3.14 0.00 0.00 58.73 61.96 1ogy h TYR 712 Cb 1.59 0.30 -0.12 0.00 1.54 0.00 0.00 36.73 40.04 1ogy h TYR 712 CO 0.11 -0.56 0.45 0.87 -1.64 0.00 0.00 178.16 177.40 1ogy h LYS 713 N -1.05 0.44 0.00 1.82 1.57 -0.91 0.77 116.57 119.22 1ogy h LYS 713 Ca -0.10 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1ogy h LYS 713 Cb 0.77 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 1ogy h LYS 713 CO 0.17 0.29 -0.02 0.00 -0.57 0.00 0.00 179.45 179.32 1ogy h ALA 714 N 1.71 1.28 0.00 3.86 0.00 -0.83 -3.36 119.26 121.93 1ogy h ALA 714 Ca 0.58 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.34 1ogy h ALA 714 Cb 1.10 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.76 1ogy h ALA 714 CO -0.51 0.03 -0.20 0.34 0.00 0.00 0.00 179.25 178.91 1ogy n PHE 715 N -3.52 -1.61 -0.25 0.00 -0.00 -0.05 -5.07 117.46 106.95 1ogy n PHE 715 Ca -0.03 -1.17 0.02 0.00 -0.00 0.00 0.00 57.45 56.28 1ogy n PHE 715 Cb 0.12 1.30 0.10 0.00 -0.00 0.00 0.00 39.48 41.00 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 3.26 0.02 -4.36 -7.13 0.13 0.31 -3.45 132.00 120.79 1ogy h PRO 716 Ca -0.21 -0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.75 1ogy h PRO 716 Cb 1.14 -0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.12 1ogy h PRO 716 CO 0.03 0.01 -0.61 0.20 -0.23 0.00 0.00 178.00 177.39 1ogy s GLY 717 N -3.68 0.90 0.86 1.56 0.00 -1.26 -4.99 107.32 100.71 1ogy s GLY 717 Ca -0.14 -1.39 -0.11 0.00 0.00 0.00 0.00 44.72 43.07 1ogy s GLY 717 CO 0.75 -1.30 1.16 0.00 0.00 0.00 0.00 173.10 173.70 1ogy s ALA 718 N -4.03 1.69 0.01 3.20 0.00 -1.26 -5.06 121.76 116.31 1ogy s ALA 718 Ca 0.22 0.63 -0.17 0.00 0.00 0.00 0.00 51.96 52.65 1ogy s ALA 718 Cb 0.07 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.78 1ogy s ALA 718 CO 0.01 -2.49 0.36 0.08 0.00 0.00 0.00 175.76 173.73 1ogy s VAL 719 N -2.53 0.06 -0.33 0.00 1.01 -1.26 -4.40 120.40 112.95 1ogy s VAL 719 Ca 0.68 -0.49 -0.15 0.00 0.00 0.00 0.00 61.98 62.02 1ogy s VAL 719 Cb -0.24 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 1ogy s VAL 719 CO 0.55 -0.27 0.37 0.00 0.00 0.00 0.00 175.10 175.75 1ogy s PHE 721 N 2.04 3.63 0.20 0.00 0.40 -0.28 -0.21 117.98 123.77 1ogy s PHE 721 Ca 0.12 1.44 -0.00 0.00 -0.60 0.00 0.00 56.93 57.89 1ogy s PHE 721 Cb -0.16 -2.92 -0.04 0.00 0.51 0.00 0.00 43.02 40.41 1ogy s PHE 721 CO 0.11 0.09 0.10 1.41 0.70 0.00 0.00 175.22 177.64 1ogy s MET 722 N 0.72 1.19 0.24 0.44 1.75 -1.04 -2.31 119.30 120.30 1ogy s MET 722 Ca 0.43 -1.62 -0.30 0.00 -1.25 0.00 0.00 55.69 52.95 1ogy s MET 722 Cb -0.19 0.12 -0.09 0.00 2.84 0.00 0.00 34.83 37.51 1ogy s MET 722 CO 0.22 -0.33 1.04 -1.58 -0.65 0.00 0.00 175.02 173.73 1ogy s HIS 723 N -4.03 3.72 0.59 4.11 2.46 -1.26 -4.48 115.29 116.40 1ogy s HIS 723 Ca 0.35 1.76 0.29 0.00 0.47 0.00 0.00 55.06 57.93 1ogy s HIS 723 Cb 0.07 -3.18 1.64 0.00 -0.13 0.00 0.00 32.58 30.98 1ogy s HIS 723 CO 0.10 -0.22 2.09 -1.00 -2.47 0.00 0.00 174.74 173.24 1ogy h PRO 724 N 4.19 0.00 0.02 2.88 0.13 -1.96 -2.11 132.00 135.15 1ogy h PRO 724 Ca -0.46 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.35 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 0.68 0.00 -1.95 -1.91 -0.23 0.00 0.00 178.00 174.59 1ogy n GLU 725 N -3.80 0.67 0.04 0.86 2.13 -1.26 -3.00 120.64 116.26 1ogy n GLU 725 Ca 0.02 0.21 0.05 0.00 0.66 0.00 0.00 57.16 58.11 1ogy n GLU 725 Cb 0.35 -1.70 0.24 0.00 0.27 0.00 0.00 31.44 30.59 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 -3.05 0.15 -0.10 4.31 9.92 -0.83 -1.90 116.55 125.04 1ogy n ASP 726 Ca -0.25 0.55 -0.18 0.00 -0.53 0.00 0.00 54.79 54.39 1ogy n ASP 726 Cb 1.07 -0.58 -0.07 0.00 -0.64 0.00 0.00 41.12 40.90 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 -1.57 0.84 -0.25 2.24 0.00 -0.99 -3.97 120.51 116.81 1ogy n ALA 727 Ca 0.01 -0.70 -0.03 0.00 0.00 0.00 0.00 53.44 52.73 1ogy n ALA 727 Cb 0.09 -0.14 0.03 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.09 -0.45 0.00 3.08 -1.37 0.21 114.38 114.76 1ogy h ARG 728 Ca -0.31 0.01 0.09 0.00 0.07 0.00 0.00 59.98 59.84 1ogy h ARG 728 Cb 1.16 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 31.14 1ogy h ARG 728 CO -0.19 -0.06 -0.22 0.66 -1.07 0.00 0.00 179.97 179.09 1ogy h SER 729 N -0.09 -0.77 0.00 7.04 4.64 -1.59 0.23 113.55 123.01 1ogy h SER 729 Ca 0.29 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1ogy h SER 729 Cb 0.56 0.41 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1ogy h SER 729 CO -0.77 -0.25 0.00 0.54 -0.87 0.00 0.00 176.83 175.48 1ogy n ARG 730 N -5.40 0.83 -2.11 4.77 1.74 -0.41 -4.83 116.66 111.25 1ogy n ARG 730 Ca 0.03 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.01 1ogy n ARG 730 Cb 0.31 -1.19 -0.01 0.00 -1.02 0.00 0.00 32.46 30.55 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 0.45 0.06 3.72 -0.13 0.00 0.81 -5.00 105.19 105.11 1ogy n GLY 731 Ca 0.08 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.73 3.62 0.00 0.99 1.02 -0.07 -4.99 118.68 116.51 1ogy s LEU 732 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 54.13 54.14 1ogy s LEU 732 Cb 0.00 -2.19 -0.00 0.00 0.02 0.00 0.00 46.19 44.02 1ogy s LEU 732 CO 0.00 0.24 0.02 0.59 0.02 0.00 0.00 176.35 177.21 1ogy n ASN 733 N 1.00 3.02 -4.71 2.29 5.03 -1.26 -3.19 115.26 117.45 1ogy n ASN 733 Ca -0.12 -3.01 -0.42 0.00 0.87 0.00 0.00 54.58 51.89 1ogy n ASN 733 Cb 0.52 0.40 -0.03 0.00 -1.02 0.00 0.00 39.78 39.65 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 -3.63 4.41 0.00 3.52 3.52 -1.26 -2.85 118.95 122.66 1ogy s ARG 734 Ca 0.02 1.75 0.00 0.00 -0.13 0.00 0.00 55.73 57.38 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 -0.31 0.00 0.41 -0.81 0.00 0.00 175.30 174.60 1ogy n GLY 735 N 3.27 1.25 3.76 8.12 0.00 -1.00 -4.99 105.19 115.61 1ogy n GLY 735 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.75 5.86 -0.54 1.61 0.01 -1.13 -4.58 113.70 113.17 1ogy s SER 736 Ca 0.00 2.88 -0.24 0.00 1.31 0.00 0.00 55.95 59.90 1ogy s SER 736 Cb 0.00 -2.65 0.04 0.00 0.21 0.00 0.00 66.02 63.62 1ogy s SER 736 CO 0.00 -1.18 0.93 -0.70 0.41 0.00 0.00 173.24 172.70 1ogy s GLU 737 N -2.47 3.34 0.31 12.44 2.12 -1.26 -1.02 118.70 132.16 1ogy s GLU 737 Ca 0.61 -0.24 0.07 0.00 0.36 0.00 0.00 54.97 55.77 1ogy s GLU 737 Cb -0.43 -4.04 -0.02 0.00 0.26 0.00 0.00 34.13 29.89 1ogy s GLU 737 CO 0.55 -1.46 0.35 0.14 -0.54 0.00 0.00 175.26 174.30 1ogy s VAL 738 N 3.90 4.15 -0.28 3.70 -7.23 -0.75 -4.49 120.40 119.40 1ogy s VAL 738 Ca 0.31 -1.18 -0.01 0.00 -1.81 0.00 0.00 61.98 59.29 1ogy s VAL 738 Cb -0.12 -3.41 0.05 0.00 0.56 0.00 0.00 36.38 33.45 1ogy s VAL 738 CO 0.20 -0.22 -0.04 -0.13 -0.31 0.00 0.00 175.10 174.59 1ogy s ARG 739 N -4.03 2.48 -0.33 4.82 0.52 0.67 -2.45 118.95 120.62 1ogy s ARG 739 Ca 0.40 -1.22 -0.23 0.00 -0.52 0.00 0.00 55.73 54.16 1ogy s ARG 739 Cb -0.08 -3.07 0.00 0.00 0.52 0.00 0.00 34.95 32.33 1ogy s ARG 739 CO 0.28 -0.56 0.76 0.08 0.02 0.00 0.00 175.30 175.88 1ogy s VAL 740 N 1.23 4.79 0.02 3.52 1.01 -0.62 -2.77 120.40 127.60 1ogy s VAL 740 Ca -0.05 0.98 0.09 0.00 0.00 0.00 0.00 61.98 63.00 1ogy s VAL 740 Cb -0.19 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 1ogy s VAL 740 CO -0.03 -0.31 -0.26 -0.63 0.00 0.00 0.00 175.10 173.87 1ogy s ILE 741 N 2.95 2.15 0.30 2.22 1.01 0.13 -1.43 121.20 128.52 1ogy s ILE 741 Ca 0.30 -1.30 0.03 0.00 0.00 0.00 0.00 60.65 59.69 1ogy s ILE 741 Cb -0.14 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 1ogy s ILE 741 CO 0.14 0.43 0.15 -0.44 0.00 0.00 0.00 174.94 175.23 1ogy s SER 742 N -1.06 1.49 0.00 3.58 0.01 0.37 0.25 113.70 118.34 1ogy s SER 742 Ca 0.11 -1.54 0.12 0.00 1.31 0.00 0.00 55.95 55.96 1ogy s SER 742 Cb -0.10 0.37 0.55 0.00 0.21 0.00 0.00 66.02 67.04 1ogy s SER 742 CO 0.01 -0.87 1.38 0.54 0.41 0.00 0.00 173.24 174.71 1ogy n ARG 743 N -0.57 0.03 -0.03 12.44 1.74 -1.26 -3.01 116.66 126.01 1ogy n ARG 743 Ca 0.01 0.27 -0.01 0.00 -0.77 0.00 0.00 57.85 57.35 1ogy n ARG 743 Cb 0.65 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.51 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 -1.46 1.50 -3.90 5.56 1.74 -1.26 -5.12 116.66 113.72 1ogy n ARG 744 Ca 0.04 -0.04 0.05 0.00 -0.77 0.00 0.00 57.85 57.12 1ogy n ARG 744 Cb 0.14 -1.26 0.01 0.00 -1.02 0.00 0.00 32.46 30.32 1ogy n ARG 744 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ogy n GLY 745 N 2.17 0.10 3.09 -0.13 0.00 -1.16 -4.74 105.19 104.51 1ogy n GLY 745 Ca -0.11 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.82 1ogy n GLY 745 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ogy s GLU 746 N -2.00 0.62 0.13 1.61 2.02 -1.26 -0.48 118.70 119.35 1ogy s GLU 746 Ca 0.30 -1.07 0.00 0.00 0.02 0.00 0.00 54.97 54.22 1ogy s GLU 746 Cb -0.00 -0.04 -0.04 0.00 0.10 0.00 0.00 34.13 34.15 1ogy s GLU 746 CO -0.03 -0.04 0.01 0.42 0.02 0.00 0.00 175.26 175.64 1ogy s ILE 747 N -2.95 0.39 -0.24 -1.63 1.01 -0.52 -4.90 121.20 112.37 1ogy s ILE 747 Ca 0.02 -1.92 0.02 0.00 0.00 0.00 0.00 60.65 58.76 1ogy s ILE 747 Cb 0.01 -1.96 0.05 0.00 0.01 0.00 0.00 42.46 40.57 1ogy s ILE 747 CO -0.05 -0.59 -0.10 -0.13 0.00 0.00 0.00 174.94 174.07 1ogy s ARG 748 N -3.96 2.12 0.33 2.79 0.52 -1.26 -1.58 118.95 117.91 1ogy s ARG 748 Ca 0.20 -1.12 0.05 0.00 -0.52 0.00 0.00 55.73 54.34 1ogy s ARG 748 Cb 0.07 -2.70 -0.06 0.00 0.52 0.00 0.00 34.95 32.77 1ogy s ARG 748 CO 0.00 -0.52 0.03 0.95 0.02 0.00 0.00 175.30 175.79 1ogy s THR 749 N 1.24 1.36 0.14 0.02 -4.23 -1.03 -4.91 115.64 108.24 1ogy s THR 749 Ca -0.06 -2.02 0.03 0.00 -1.18 0.00 0.00 61.69 58.47 1ogy s THR 749 Cb -0.18 -2.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.86 1ogy s THR 749 CO -0.07 -0.06 0.20 -0.13 -0.54 0.00 0.00 174.62 174.03 1ogy s ARG 750 N -3.84 3.17 0.51 3.99 0.52 -1.26 -1.80 118.95 120.22 1ogy s ARG 750 Ca 0.35 -0.70 -0.20 0.00 -0.52 0.00 0.00 55.73 54.66 1ogy s ARG 750 Cb 0.08 -2.82 -0.07 0.00 0.52 0.00 0.00 34.95 32.66 1ogy s ARG 750 CO 0.15 0.52 1.08 -1.17 0.02 0.00 0.00 175.30 175.90 1ogy s LEU 751 N -3.03 3.82 -0.19 2.53 2.96 -0.19 -0.96 118.68 123.62 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 -4.55 0.09 0.00 0.50 0.00 0.00 46.19 42.13 1ogy s LEU 751 CO 0.26 -0.96 0.30 -0.70 -1.32 0.00 0.00 176.35 173.92 1ogy s GLU 752 N -3.21 0.23 0.15 1.98 2.12 0.71 -2.37 118.70 118.31 1ogy s GLU 752 Ca 0.69 0.57 0.09 0.00 0.36 0.00 0.00 54.97 56.69 1ogy s GLU 752 Cb -0.20 -0.44 -0.04 0.00 0.26 0.00 0.00 34.13 33.71 1ogy s GLU 752 CO 0.24 -0.48 -0.16 -0.08 -0.54 0.00 0.00 175.26 174.24 1ogy s THR 753 N 2.45 2.90 -0.13 -1.70 -1.32 -1.26 -2.48 115.64 114.09 1ogy s THR 753 Ca 0.06 -1.63 0.00 0.00 -1.21 0.00 0.00 61.69 58.91 1ogy s THR 753 Cb -0.14 -2.38 0.00 0.00 -1.51 0.00 0.00 72.50 68.47 1ogy s THR 753 CO -0.12 -0.00 0.00 0.54 -2.21 0.00 0.00 174.62 172.83 1ogy n ARG 754 N 0.46 -0.09 -0.10 7.08 1.74 -1.26 -4.97 116.66 119.52 1ogy n ARG 754 Ca -0.13 0.47 0.00 0.00 -0.77 0.00 0.00 57.85 57.42 1ogy n ARG 754 Cb 0.54 -4.03 0.00 0.00 -1.02 0.00 0.00 32.46 27.95 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 -2.55 0.77 0.23 -0.13 0.00 -1.26 -5.01 105.19 97.24 1ogy n GLY 755 Ca -0.01 -1.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.01 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 0.77 -5.79 1.61 0.11 -1.96 -3.41 114.38 105.72 1ogy h ARG 756 Ca 0.00 -0.31 -0.61 0.00 0.10 0.00 0.00 59.98 59.16 1ogy h ARG 756 Cb 0.00 -0.03 -0.11 0.00 1.11 0.00 0.00 29.97 30.93 1ogy h ARG 756 CO 0.00 0.92 0.38 -0.80 0.10 0.00 0.00 179.97 180.57 1ogy s ASN 757 N -6.42 6.56 -0.63 0.08 0.01 -1.26 -4.38 114.94 108.90 1ogy s ASN 757 Ca -0.12 0.37 -0.18 0.00 -0.71 0.00 0.00 52.86 52.22 1ogy s ASN 757 Cb 0.10 -2.40 0.12 0.00 0.41 0.00 0.00 41.25 39.49 1ogy s ASN 757 CO 0.82 -0.73 0.70 -0.13 -1.51 0.00 0.00 177.10 176.25 1ogy s ARG 758 N 3.09 3.12 0.54 -0.60 0.52 0.17 -4.79 118.95 121.00 1ogy s ARG 758 Ca 0.31 -1.54 -0.19 0.00 -0.52 0.00 0.00 55.73 53.80 1ogy s ARG 758 Cb -0.13 -4.33 -0.06 0.00 0.52 0.00 0.00 34.95 30.95 1ogy s ARG 758 CO 0.17 -1.49 1.11 -1.64 0.02 0.00 0.00 175.30 173.46 1ogy s MET 759 N 2.23 3.40 0.45 3.54 -1.94 -1.26 -2.19 119.30 123.52 1ogy s MET 759 Ca 0.12 1.53 -0.03 0.00 -1.71 0.00 0.00 55.69 55.59 1ogy s MET 759 Cb -0.23 -2.02 -0.03 0.00 2.01 0.00 0.00 34.83 34.56 1ogy s MET 759 CO 0.03 -0.80 0.72 -2.14 -0.01 0.00 0.00 175.02 172.82 1ogy s PRO 760 N -3.37 3.44 0.17 2.03 0.02 -1.26 -4.58 135.00 131.46 1ogy s PRO 760 Ca 0.71 -0.02 -0.32 0.00 0.02 0.00 0.00 61.00 61.39 1ogy s PRO 760 Cb -0.22 -2.47 -0.11 0.00 0.02 0.00 0.00 34.50 31.72 1ogy s PRO 760 CO 0.27 -0.14 1.77 1.03 -0.33 0.00 0.00 177.00 179.60 1ogy s ARG 761 N -4.62 4.13 0.00 5.54 0.52 -1.26 -1.98 118.95 121.28 1ogy s ARG 761 Ca 0.46 2.61 0.00 0.00 -0.52 0.00 0.00 55.73 58.28 1ogy s ARG 761 Cb -0.10 -3.29 0.00 0.00 0.52 0.00 0.00 34.95 32.08 1ogy s ARG 761 CO 0.42 -0.79 0.00 0.41 0.02 0.00 0.00 175.30 175.35 1ogy n GLY 762 N 4.09 0.68 3.19 -3.53 0.00 -1.26 -5.06 105.19 103.31 1ogy n GLY 762 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.63 1.77 0.04 1.61 1.01 -0.83 0.01 120.40 121.38 1ogy s VAL 763 Ca 0.00 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.15 1ogy s VAL 763 Cb 0.00 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 1ogy s VAL 763 CO 0.00 0.50 -0.18 -0.69 0.00 0.00 0.00 175.10 174.73 1ogy s VAL 764 N 0.07 1.42 -0.08 2.92 1.01 0.32 -4.40 120.40 121.65 1ogy s VAL 764 Ca -0.08 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 60.86 1ogy s VAL 764 Cb -0.14 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 35.01 1ogy s VAL 764 CO 0.04 0.15 -0.13 0.12 0.00 0.00 0.00 175.10 175.28 1ogy s PHE 765 N -0.77 1.63 -0.07 5.22 5.36 -0.98 -0.15 117.98 128.23 1ogy s PHE 765 Ca 0.05 -0.68 0.02 0.00 -0.96 0.00 0.00 56.93 55.36 1ogy s PHE 765 Cb -0.08 -1.20 0.02 0.00 -0.34 0.00 0.00 43.02 41.41 1ogy s PHE 765 CO 0.01 -0.36 -0.10 0.14 -1.46 0.00 0.00 175.22 173.46 1ogy s VAL 766 N 0.86 0.97 0.46 3.12 -7.23 -0.94 -1.13 120.40 116.52 1ogy s VAL 766 Ca -0.10 -0.36 -0.21 0.00 -1.81 0.00 0.00 61.98 59.50 1ogy s VAL 766 Cb -0.15 -0.92 -0.10 0.00 0.56 0.00 0.00 36.38 35.77 1ogy s VAL 766 CO 0.01 0.33 1.00 -2.16 -0.31 0.00 0.00 175.10 173.96 1ogy s PRO 767 N 0.88 4.01 -0.02 4.82 0.04 -1.26 -3.16 135.00 140.33 1ogy s PRO 767 Ca -0.11 1.25 0.22 0.00 0.04 0.00 0.00 61.00 62.40 1ogy s PRO 767 Cb -0.15 -2.14 0.66 0.00 0.04 0.00 0.00 34.50 32.91 1ogy s PRO 767 CO 0.01 -0.23 1.56 -2.67 0.04 0.00 0.00 177.00 175.71 1ogy n TRP 768 N -0.79 1.07 0.29 0.56 4.27 -1.14 -4.60 117.44 117.10 1ogy n TRP 768 Ca 0.08 -0.52 0.15 0.00 -3.89 0.00 0.00 57.50 53.33 1ogy n TRP 768 Cb 0.53 -0.04 0.74 0.00 -1.36 0.00 0.00 31.31 31.18 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 4.29 0.00 -3.58 -2.67 -0.00 -1.84 -3.43 116.94 109.71 1ogy h PHE 769 Ca 0.00 0.00 -0.64 0.00 -0.00 0.00 0.00 57.97 57.33 1ogy h PHE 769 Cb 1.07 0.00 -0.14 0.00 -0.00 0.00 0.00 35.95 36.88 1ogy h PHE 769 CO 0.54 0.00 0.07 0.34 -0.00 0.00 0.00 178.31 179.26 1ogy s ASP 770 N -4.71 6.37 0.57 -0.68 3.68 -1.26 -3.81 116.67 116.83 1ogy s ASP 770 Ca -0.01 0.01 0.36 0.00 2.13 0.00 0.00 52.55 55.04 1ogy s ASP 770 Cb 0.09 -2.30 1.55 0.00 -1.45 0.00 0.00 42.92 40.81 1ogy s ASP 770 CO 0.37 -0.58 2.05 0.00 0.13 0.00 0.00 175.17 177.14 1ogy h ALA 771 N 8.52 1.00 -0.05 3.66 0.00 -1.84 -0.71 119.26 129.84 1ogy h ALA 771 Ca -0.27 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 1ogy h ALA 771 Cb 1.11 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1ogy h ALA 771 CO 0.82 0.00 -0.59 0.66 0.00 0.00 0.00 179.25 180.14 1ogy h SER 772 N 0.00 0.19 -2.74 0.00 4.64 -1.97 -3.35 113.55 110.32 1ogy h SER 772 Ca -0.00 -0.11 -0.70 0.00 -0.47 0.00 0.00 61.79 60.51 1ogy h SER 772 Cb 0.42 -0.06 -0.36 0.00 -0.31 0.00 0.00 62.40 62.10 1ogy h SER 772 CO 0.00 0.74 0.01 0.00 -0.87 0.00 0.00 176.83 176.71 1ogy n GLN 773 N -3.87 3.21 -2.07 4.77 6.02 -0.27 -4.96 117.38 120.22 1ogy n GLN 773 Ca -0.02 -4.58 -0.27 0.00 -0.01 0.00 0.00 57.00 52.11 1ogy n GLN 773 Cb 0.61 -2.38 -0.05 0.00 1.02 0.00 0.00 30.24 29.43 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 -2.29 3.13 0.52 1.08 1.43 -1.24 -4.71 118.68 116.60 1ogy s LEU 774 Ca 0.34 -1.05 0.27 0.00 -1.03 0.00 0.00 54.13 52.66 1ogy s LEU 774 Cb 0.06 -2.57 1.45 0.00 0.03 0.00 0.00 46.19 45.15 1ogy s LEU 774 CO -0.00 -2.84 2.07 0.40 0.23 0.00 0.00 176.35 176.21 1ogy h ILE 775 N 6.86 0.57 0.00 -0.59 2.04 -1.90 -2.19 117.51 122.30 1ogy h ILE 775 Ca 0.14 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1ogy h ILE 775 Cb 0.98 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1ogy h ILE 775 CO 1.22 0.11 0.00 0.59 0.00 0.00 0.00 178.15 180.07 1ogy n ASN 776 N -3.65 0.00 0.09 1.72 3.02 -1.26 0.16 115.26 115.34 1ogy n ASN 776 Ca -0.02 0.03 -0.13 0.00 -0.03 0.00 0.00 54.58 54.43 1ogy n ASN 776 Cb 0.23 -0.18 -0.08 0.00 -0.61 0.00 0.00 39.78 39.14 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 0.29 0.00 3.52 1.57 -1.72 -0.59 116.57 119.64 1ogy h LYS 777 Ca 0.00 -0.38 -0.10 0.00 -1.87 0.00 0.00 60.65 58.29 1ogy h LYS 777 Cb 0.05 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1ogy h LYS 777 CO 0.00 1.12 -0.49 0.28 -0.57 0.00 0.00 179.45 179.79 1ogy h VAL 778 N 0.13 0.90 -3.99 0.50 2.07 -0.47 -3.30 116.25 112.10 1ogy h VAL 778 Ca -0.09 -2.06 -0.50 0.00 0.82 0.00 0.00 66.70 64.87 1ogy h VAL 778 Cb 1.74 2.29 0.05 0.00 -1.52 0.00 0.00 31.29 33.85 1ogy h VAL 778 CO 0.17 0.48 0.47 -0.89 0.02 0.00 0.00 177.57 177.82 1ogy s THR 779 N -3.14 3.26 -0.03 2.57 2.01 -1.00 -4.68 115.64 114.62 1ogy s THR 779 Ca 0.03 0.96 -0.18 0.00 0.31 0.00 0.00 61.69 62.81 1ogy s THR 779 Cb 0.09 -3.49 -0.05 0.00 0.01 0.00 0.00 72.50 69.05 1ogy s THR 779 CO 0.73 0.00 0.49 -0.22 -0.69 0.00 0.00 174.62 174.93 1ogy s LEU 780 N -2.87 4.40 0.00 4.42 2.96 -1.26 -2.99 118.68 123.34 1ogy s LEU 780 Ca 0.61 0.99 0.00 0.00 -0.22 0.00 0.00 54.13 55.51 1ogy s LEU 780 Cb -0.27 -2.73 0.00 0.00 0.50 0.00 0.00 46.19 43.69 1ogy s LEU 780 CO 0.33 0.16 0.38 -0.67 -1.32 0.00 0.00 176.35 175.24 1ogy n ASP 781 N 2.63 0.00 -4.77 3.68 -0.08 -1.26 -4.64 116.55 112.12 1ogy n ASP 781 Ca -0.10 0.00 -0.38 0.00 -1.51 0.00 0.00 54.79 52.80 1ogy n ASP 781 Cb 0.52 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.98 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 -1.83 3.02 0.36 -1.67 0.00 -1.26 -4.79 121.76 115.58 1ogy s ALA 782 Ca 0.00 1.09 0.04 0.00 0.00 0.00 0.00 51.96 53.09 1ogy s ALA 782 Cb 0.00 -3.45 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 1ogy s ALA 782 CO 0.00 -0.84 0.07 -0.80 0.00 0.00 0.00 175.76 174.19 1ogy s ASN 783 N -1.11 2.62 -0.44 0.00 0.02 -1.25 -0.02 114.94 114.76 1ogy s ASN 783 Ca 0.63 -1.47 -0.24 0.00 -1.02 0.00 0.00 52.86 50.76 1ogy s ASN 783 Cb -0.33 0.10 0.02 0.00 0.02 0.00 0.00 41.25 41.06 1ogy s ASN 783 CO 0.41 -0.70 0.86 -0.62 0.02 0.00 0.00 177.10 177.07 1ogy s ASP 784 N -3.55 6.49 0.46 -1.22 2.15 -0.86 -2.90 116.67 117.23 1ogy s ASP 784 Ca 0.31 0.09 0.11 0.00 0.43 0.00 0.00 52.55 53.49 1ogy s ASP 784 Cb 0.07 -2.42 0.59 0.00 -0.30 0.00 0.00 42.92 40.85 1ogy s ASP 784 CO 0.15 -0.96 1.23 1.55 -0.17 0.00 0.00 175.17 176.97 1ogy h PRO 785 N 8.95 0.00 0.00 4.34 0.13 -1.88 1.00 132.00 144.54 1ogy h PRO 785 Ca -0.24 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.63 1ogy h PRO 785 Cb 1.08 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 1ogy h PRO 785 CO 0.99 0.00 -1.45 -0.89 -0.23 0.00 0.00 178.00 176.42 1ogy n ILE 786 N -2.23 1.53 0.08 -3.56 5.41 -1.26 -4.52 119.36 114.81 1ogy n ILE 786 Ca -0.01 -0.08 0.04 0.00 1.00 0.00 0.00 62.75 63.70 1ogy n ILE 786 Cb 0.57 -2.03 -0.03 0.00 -0.71 0.00 0.00 39.64 37.44 1ogy n ILE 786 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1ogy h SER 787 N -1.00 0.00 -2.13 4.38 4.64 -1.77 -3.48 113.55 114.19 1ogy h SER 787 Ca -0.39 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.68 1ogy h SER 787 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1ogy h SER 787 CO -0.24 0.41 -0.33 0.54 -0.87 0.00 0.00 176.83 176.34 1ogy n ARG 788 N -2.93 -1.63 -3.18 4.77 5.12 0.34 -4.73 116.66 114.42 1ogy n ARG 788 Ca -0.04 0.58 -0.41 0.00 -1.93 0.00 0.00 57.85 56.05 1ogy n ARG 788 Cb 0.74 -4.74 -0.07 0.00 -1.16 0.00 0.00 32.46 27.22 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 -4.82 3.72 0.70 5.56 0.74 -1.24 -4.77 119.66 119.56 1ogy s GLN 789 Ca 0.06 0.02 -0.16 0.00 0.05 0.00 0.00 55.36 55.32 1ogy s GLN 789 Cb -0.03 -3.78 0.02 0.00 1.10 0.00 0.00 33.01 30.32 1ogy s GLN 789 CO 0.07 -0.63 1.24 -2.37 -0.55 0.00 0.00 175.29 173.05 1ogy n THR 790 N 5.44 3.96 -3.62 -0.34 5.66 -1.26 -2.04 114.28 122.08 1ogy n THR 790 Ca -0.03 -0.41 -0.40 0.00 -3.05 0.00 0.00 64.05 60.16 1ogy n THR 790 Cb 0.49 -1.38 -0.11 0.00 -1.55 0.00 0.00 70.33 67.79 1ogy n THR 790 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1ogy s ASP 791 N -1.61 5.61 0.00 1.09 -1.08 0.97 -4.54 116.67 117.11 1ogy s ASP 791 Ca 0.79 -1.32 0.24 0.00 -0.52 0.00 0.00 52.55 51.74 1ogy s ASP 791 Cb -0.35 -1.98 0.38 0.00 -1.46 0.00 0.00 42.92 39.51 1ogy s ASP 791 CO 0.44 -0.47 1.37 0.49 0.52 0.00 0.00 175.17 177.52 1ogy n PHE 792 N 4.92 0.16 1.27 -5.34 3.01 -1.25 -4.47 117.46 115.76 1ogy n PHE 792 Ca -0.11 -0.08 0.13 0.00 1.01 0.00 0.00 57.45 58.40 1ogy n PHE 792 Cb 0.44 0.00 0.43 0.00 -0.01 0.00 0.00 39.48 40.34 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 1.22 0.75 -3.63 -1.08 4.76 -1.26 -3.30 118.16 115.62 1ogy n LYS 793 Ca 0.16 -0.40 -0.12 0.00 -2.87 0.00 0.00 58.31 55.08 1ogy n LYS 793 Cb 0.56 -1.49 -0.07 0.00 -1.84 0.00 0.00 35.03 32.19 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 -2.52 0.71 -0.13 1.97 -2.85 -1.18 -3.98 119.74 111.76 1ogy s LYS 794 Ca 0.25 0.86 -0.33 0.00 -1.00 0.00 0.00 55.97 55.74 1ogy s LYS 794 Cb 0.19 0.34 0.13 0.00 -2.06 0.00 0.00 37.83 36.43 1ogy s LYS 794 CO 0.52 -0.09 1.23 0.00 0.10 0.00 0.00 175.35 177.11 1ogy s ALA 796 N -2.44 3.51 0.00 0.00 0.00 -1.26 -0.40 121.76 121.18 1ogy s ALA 796 Ca 0.11 0.03 -0.03 0.00 0.00 0.00 0.00 51.96 52.07 1ogy s ALA 796 Cb 0.01 -2.72 -0.01 0.00 0.00 0.00 0.00 23.12 20.40 1ogy s ALA 796 CO -0.04 0.22 0.06 0.08 0.00 0.00 0.00 175.76 176.07 1ogy s VAL 797 N -0.41 0.07 0.13 0.00 1.01 0.27 -4.71 120.40 116.76 1ogy s VAL 797 Ca 0.31 -0.61 0.08 0.00 0.00 0.00 0.00 61.98 61.76 1ogy s VAL 797 Cb -0.19 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 1ogy s VAL 797 CO 0.18 -0.33 -0.10 -0.75 0.00 0.00 0.00 175.10 174.10 1ogy s LYS 798 N -1.06 2.11 -0.09 2.72 2.20 0.14 -1.61 119.74 124.14 1ogy s LYS 798 Ca -0.12 -1.09 0.01 0.00 -0.36 0.00 0.00 55.97 54.41 1ogy s LYS 798 Cb -0.07 -2.27 0.02 0.00 -1.51 0.00 0.00 37.83 34.01 1ogy s LYS 798 CO 0.00 0.49 -0.11 0.42 -0.36 0.00 0.00 175.35 175.79 1ogy s ILE 799 N -1.35 1.14 0.12 5.43 1.01 -1.26 0.20 121.20 126.50 1ogy s ILE 799 Ca 0.22 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.48 1ogy s ILE 799 Cb -0.10 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.23 1ogy s ILE 799 CO 0.14 0.37 -0.08 -1.61 0.00 0.00 0.00 174.94 173.77 1ogy s GLU 800 N 1.19 0.95 0.00 2.79 0.41 -1.12 -4.91 118.70 118.01 1ogy s GLU 800 Ca -0.04 -1.39 0.00 0.00 -0.41 0.00 0.00 54.97 53.12 1ogy s GLU 800 Cb -0.14 -0.39 0.00 0.00 -1.78 0.00 0.00 34.13 31.82 1ogy s GLU 800 CO -0.03 0.02 0.00 0.00 -0.49 0.00 0.00 175.26 174.76