#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2by1 n PHE 15 N 0.00 2.45 -4.63 7.33 7.35 -1.26 -5.00 117.46 123.71 2by1 n PHE 15 Ca 0.00 0.27 -0.33 0.00 -0.76 0.00 0.00 57.45 56.64 2by1 n PHE 15 Cb 0.00 -2.55 -0.16 0.00 0.35 0.00 0.00 39.48 37.12 2by1 n PHE 15 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2by1 s GLN 16 N 0.24 3.18 0.53 -4.13 -0.21 -1.26 -5.06 119.66 112.95 2by1 s GLN 16 Ca 0.72 -0.78 -0.20 0.00 0.02 0.00 0.00 55.36 55.12 2by1 s GLN 16 Cb -0.60 -2.56 -0.08 0.00 1.00 0.00 0.00 33.01 30.76 2by1 s GLN 16 CO 0.43 0.04 0.76 -2.37 -2.12 0.00 0.00 175.29 172.02 2by1 n THR 17 N 3.97 2.65 1.59 -0.19 5.66 -1.26 -4.88 114.28 121.82 2by1 n THR 17 Ca -0.19 -0.50 0.14 0.00 -3.05 0.00 0.00 64.05 60.45 2by1 n THR 17 Cb 0.52 -0.90 0.60 0.00 -1.55 0.00 0.00 70.33 69.00 2by1 n THR 17 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2by1 n GLN 18 N -0.20 1.53 -4.03 1.09 6.02 -1.26 -4.88 117.38 115.64 2by1 n GLN 18 Ca 0.12 -0.77 -0.35 0.00 -0.01 0.00 0.00 57.00 55.99 2by1 n GLN 18 Cb 0.45 -1.47 -0.09 0.00 1.02 0.00 0.00 30.24 30.14 2by1 n GLN 18 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2by1 s HIS 19 N -1.98 3.30 -0.06 1.08 3.76 -1.26 -5.08 115.29 115.04 2by1 s HIS 19 Ca 0.39 0.17 -0.00 0.00 -0.15 0.00 0.00 55.06 55.47 2by1 s HIS 19 Cb 0.21 -2.02 0.03 0.00 1.11 0.00 0.00 32.58 31.91 2by1 s HIS 19 CO 0.33 0.29 -0.01 0.34 -0.85 0.00 0.00 174.74 174.85 2by1 s ASP 20 N -0.03 1.21 0.53 1.40 -1.08 -1.26 -5.03 116.67 112.42 2by1 s ASP 20 Ca 0.06 -0.09 0.24 0.00 -0.52 0.00 0.00 52.55 52.25 2by1 s ASP 20 Cb -0.12 -0.41 1.39 0.00 -1.46 0.00 0.00 42.92 42.32 2by1 s ASP 20 CO 0.01 -0.14 2.02 -0.65 0.52 0.00 0.00 175.17 176.93 2by1 h PRO 21 N 7.82 0.00 0.00 4.34 0.11 -1.98 -0.80 132.00 141.49 2by1 h PRO 21 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2by1 h PRO 21 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2by1 h PRO 21 CO 0.35 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.68 2by1 n ARG 22 N -4.36 0.51 -0.10 1.05 1.74 -1.26 -2.64 116.66 111.60 2by1 n ARG 22 Ca 0.07 0.02 0.06 0.00 -0.77 0.00 0.00 57.85 57.23 2by1 n ARG 22 Cb 0.51 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.53 2by1 n ARG 22 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2by1 n THR 23 N -1.22 1.31 -1.98 0.55 -2.24 -0.33 -5.08 114.28 105.31 2by1 n THR 23 Ca 0.15 -1.53 -0.42 0.00 -2.27 0.00 0.00 64.05 59.99 2by1 n THR 23 Cb 0.19 0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.51 2by1 n THR 23 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2by1 s ARG 24 N -1.87 4.24 0.48 -0.78 3.52 -1.07 -4.93 118.95 118.53 2by1 s ARG 24 Ca 0.18 2.33 -0.20 0.00 -0.13 0.00 0.00 55.73 57.92 2by1 s ARG 24 Cb 0.16 -3.12 -0.09 0.00 -1.56 0.00 0.00 34.95 30.34 2by1 s ARG 24 CO 0.02 -0.49 1.01 -0.51 -0.81 0.00 0.00 175.30 174.52 2by1 s LEU 25 N 0.05 3.83 0.00 -0.88 1.43 -1.26 -4.56 118.68 117.28 2by1 s LEU 25 Ca 0.63 1.81 0.00 0.00 -1.03 0.00 0.00 54.13 55.54 2by1 s LEU 25 Cb -0.43 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.25 2by1 s LEU 25 CO 0.40 -0.66 0.00 0.61 0.23 0.00 0.00 176.35 176.93 2by1 n GLY 26 N -0.55 0.21 3.17 -3.19 0.00 0.22 -4.91 105.19 100.13 2by1 n GLY 26 Ca 0.08 -1.86 -0.33 0.00 0.00 0.00 0.00 46.02 43.91 2by1 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2by1 s ALA 27 N -2.00 2.42 -0.11 4.61 0.00 -1.26 -0.78 121.76 124.65 2by1 s ALA 27 Ca 0.00 -1.19 0.01 0.00 0.00 0.00 0.00 51.96 50.78 2by1 s ALA 27 Cb 0.00 -1.26 0.02 0.00 0.00 0.00 0.00 23.12 21.88 2by1 s ALA 27 CO 0.00 -0.32 -0.12 0.99 0.00 0.00 0.00 175.76 176.31 2by1 s THR 28 N 1.25 1.28 0.36 0.00 2.01 0.09 -4.70 115.64 115.94 2by1 s THR 28 Ca 0.03 -0.50 -0.27 0.00 0.31 0.00 0.00 61.69 61.27 2by1 s THR 28 Cb -0.14 -1.21 -0.12 0.00 0.01 0.00 0.00 72.50 71.05 2by1 s THR 28 CO -0.09 0.40 1.26 -2.65 -0.69 0.00 0.00 174.62 172.84 2by1 n PRO 29 N 4.42 2.01 -3.16 4.92 -0.02 -1.26 -0.62 135.00 141.30 2by1 n PRO 29 Ca -0.18 0.71 -0.29 0.00 -2.02 0.00 0.00 63.50 61.73 2by1 n PRO 29 Cb 0.51 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 2by1 n PRO 29 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2by1 s LEU 30 N -1.04 3.96 0.86 2.45 1.43 0.33 -4.80 118.68 121.87 2by1 s LEU 30 Ca 0.57 0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 54.38 2by1 s LEU 30 Cb -0.56 -3.67 0.11 0.00 0.03 0.00 0.00 46.19 42.09 2by1 s LEU 30 CO 0.61 -0.29 1.10 -2.16 0.23 0.00 0.00 176.35 175.84 2by1 s PRO 31 N -3.78 1.56 -1.22 1.29 0.04 -1.26 -3.84 135.00 127.79 2by1 s PRO 31 Ca 0.46 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.56 2by1 s PRO 31 Cb -0.10 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2by1 s PRO 31 CO 0.32 -2.10 0.00 0.41 0.04 0.00 0.00 177.00 175.67 2by1 n GLY 32 N -0.91 1.24 2.44 0.56 0.00 -1.26 -2.45 105.19 104.81 2by1 n GLY 32 Ca 0.08 -0.49 -0.17 0.00 0.00 0.00 0.00 46.02 45.44 2by1 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2by1 n GLY 33 N -1.55 1.16 0.15 -0.02 0.00 -1.25 -4.89 105.19 98.80 2by1 n GLY 33 Ca -0.12 -0.22 0.13 0.00 0.00 0.00 0.00 46.02 45.82 2by1 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2by1 h ALA 34 N 0.20 1.00 0.00 4.61 0.00 -1.64 -3.49 119.26 119.94 2by1 h ALA 34 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2by1 h ALA 34 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2by1 h ALA 34 CO 0.49 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.15 2by1 n GLY 35 N 0.33 0.21 2.96 0.00 0.00 -1.26 -3.89 105.19 103.54 2by1 n GLY 35 Ca 0.03 -1.47 -0.14 0.00 0.00 0.00 0.00 46.02 44.44 2by1 n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2by1 s THR 36 N -0.41 0.34 -0.23 2.61 2.01 0.45 -0.51 115.64 119.89 2by1 s THR 36 Ca 0.00 -0.35 -0.08 0.00 0.31 0.00 0.00 61.69 61.57 2by1 s THR 36 Cb 0.00 -0.32 -0.04 0.00 0.01 0.00 0.00 72.50 72.15 2by1 s THR 36 CO 0.00 -0.02 0.09 -0.60 -0.69 0.00 0.00 174.62 173.40 2by1 s ARG 37 N -0.39 3.82 -0.17 4.92 3.52 0.21 -1.39 118.95 129.47 2by1 s ARG 37 Ca -0.01 -0.40 -0.07 0.00 -0.13 0.00 0.00 55.73 55.12 2by1 s ARG 37 Cb -0.03 -3.35 -0.04 0.00 -1.56 0.00 0.00 34.95 29.97 2by1 s ARG 37 CO -0.00 -0.03 0.05 -0.06 -0.81 0.00 0.00 175.30 174.45 2by1 s PHE 38 N 1.23 3.24 -0.00 5.12 0.08 0.40 -0.73 117.98 127.32 2by1 s PHE 38 Ca 0.05 0.08 -0.02 0.00 0.12 0.00 0.00 56.93 57.16 2by1 s PHE 38 Cb -0.14 -2.03 -0.00 0.00 -0.57 0.00 0.00 43.02 40.27 2by1 s PHE 38 CO 0.04 0.20 0.04 1.03 -0.10 0.00 0.00 175.22 176.43 2by1 s ARG 39 N 0.16 0.23 0.15 0.44 0.52 0.04 -1.29 118.95 119.19 2by1 s ARG 39 Ca 0.04 -0.26 -0.13 0.00 -0.52 0.00 0.00 55.73 54.86 2by1 s ARG 39 Cb -0.12 0.09 0.01 0.00 0.52 0.00 0.00 34.95 35.45 2by1 s ARG 39 CO 0.01 -0.04 0.36 -0.48 0.02 0.00 0.00 175.30 175.16 2by1 s LEU 40 N -0.77 0.68 -0.12 2.53 0.05 -0.48 -0.61 118.68 119.96 2by1 s LEU 40 Ca -0.08 -0.58 0.01 0.00 0.05 0.00 0.00 54.13 53.52 2by1 s LEU 40 Cb -0.05 1.57 -0.01 0.00 -2.05 0.00 0.00 46.19 45.65 2by1 s LEU 40 CO -0.00 -0.89 -0.16 0.86 -0.55 0.00 0.00 176.35 175.61 2by1 s TRP 41 N -3.88 2.74 -0.01 3.48 -0.00 -1.26 -1.02 118.94 118.99 2by1 s TRP 41 Ca 0.09 -0.80 -0.00 0.00 -0.00 0.00 0.00 56.10 55.39 2by1 s TRP 41 Cb 0.02 -1.81 0.01 0.00 -0.00 0.00 0.00 33.47 31.69 2by1 s TRP 41 CO -0.06 -0.30 0.02 -0.08 -0.00 0.00 0.00 176.95 176.53 2by1 s THR 42 N 0.39 -0.02 -0.79 5.86 -1.32 0.14 -4.60 115.64 115.30 2by1 s THR 42 Ca -0.13 0.09 0.23 0.00 -1.21 0.00 0.00 61.69 60.68 2by1 s THR 42 Cb -0.16 -0.05 -0.08 0.00 -1.51 0.00 0.00 72.50 70.70 2by1 s THR 42 CO 0.06 0.04 1.14 -1.54 -2.21 0.00 0.00 174.62 172.11 2by1 n SER 43 N 3.54 0.64 0.00 8.08 3.41 -0.64 -4.43 113.62 124.22 2by1 n SER 43 Ca -0.19 -0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 2by1 n SER 43 Cb 0.56 0.62 0.00 0.00 -0.26 0.00 0.00 64.21 65.13 2by1 n SER 43 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2by1 n THR 44 N -1.76 0.00 -2.16 6.66 -2.24 -1.25 -5.07 114.28 108.47 2by1 n THR 44 Ca 0.03 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.42 2by1 n THR 44 Cb 0.39 0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.84 2by1 n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2by1 s ALA 45 N -1.11 3.34 -0.13 6.98 0.00 -1.26 -4.95 121.76 124.63 2by1 s ALA 45 Ca 0.00 1.17 0.10 0.00 0.00 0.00 0.00 51.96 53.22 2by1 s ALA 45 Cb 0.00 -3.45 -0.23 0.00 0.00 0.00 0.00 23.12 19.43 2by1 s ALA 45 CO 0.00 -0.65 0.34 0.54 0.00 0.00 0.00 175.76 176.00 2by1 n ARG 46 N 0.45 0.67 -4.86 0.00 1.74 -1.26 -4.92 116.66 108.48 2by1 n ARG 46 Ca 0.02 0.19 -0.26 0.00 -0.77 0.00 0.00 57.85 57.03 2by1 n ARG 46 Cb 0.44 -1.67 -0.15 0.00 -1.02 0.00 0.00 32.46 30.05 2by1 n ARG 46 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2by1 s THR 47 N -2.55 1.53 -0.05 0.55 -4.23 -1.26 -5.00 115.64 104.63 2by1 s THR 47 Ca -0.12 -0.89 -0.02 0.00 -1.18 0.00 0.00 61.69 59.47 2by1 s THR 47 Cb 0.07 -1.28 0.03 0.00 1.34 0.00 0.00 72.50 72.66 2by1 s THR 47 CO 0.79 0.37 0.08 -0.69 -0.54 0.00 0.00 174.62 174.64 2by1 s VAL 48 N -0.53 -0.11 0.05 2.29 1.01 -1.26 -0.81 120.40 121.04 2by1 s VAL 48 Ca 0.07 0.32 -0.01 0.00 0.00 0.00 0.00 61.98 62.36 2by1 s VAL 48 Cb -0.08 -0.17 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 2by1 s VAL 48 CO -0.00 0.13 -0.03 0.00 0.00 0.00 0.00 175.10 175.20 2by1 s ALA 49 N 1.71 0.52 -0.06 5.51 0.00 -0.49 -4.60 121.76 124.35 2by1 s ALA 49 Ca -0.02 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 50.78 2by1 s ALA 49 Cb -0.12 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 2by1 s ALA 49 CO -0.04 -0.35 -0.12 0.54 0.00 0.00 0.00 175.76 175.79 2by1 s VAL 50 N -3.76 3.25 -0.32 0.00 0.11 0.14 -0.01 120.40 119.81 2by1 s VAL 50 Ca 0.06 -0.65 -0.05 0.00 -2.93 0.00 0.00 61.98 58.42 2by1 s VAL 50 Cb 0.07 -2.30 0.04 0.00 -1.53 0.00 0.00 36.38 32.66 2by1 s VAL 50 CO -0.09 0.59 0.06 -0.60 -3.33 0.00 0.00 175.10 171.73 2by1 s ARG 51 N -0.63 2.59 -0.17 1.54 3.52 -0.02 -0.61 118.95 125.17 2by1 s ARG 51 Ca 0.09 -1.18 -0.01 0.00 -0.13 0.00 0.00 55.73 54.51 2by1 s ARG 51 Cb -0.11 -3.35 -0.00 0.00 -1.56 0.00 0.00 34.95 29.92 2by1 s ARG 51 CO 0.01 -0.63 -0.13 0.08 -0.81 0.00 0.00 175.30 173.82 2by1 s VAL 52 N 1.36 2.80 -1.54 7.11 1.01 0.10 -1.88 120.40 129.35 2by1 s VAL 52 Ca -0.03 -0.72 -0.15 0.00 0.00 0.00 0.00 61.98 61.08 2by1 s VAL 52 Cb -0.19 -2.20 0.13 0.00 0.00 0.00 0.00 36.38 34.11 2by1 s VAL 52 CO 0.01 0.50 0.72 0.59 0.00 0.00 0.00 175.10 176.93 2by1 n ASN 53 N 4.16 -3.60 0.00 3.32 3.02 0.60 -1.33 115.26 121.43 2by1 n ASN 53 Ca -0.19 -0.79 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 2by1 n ASN 53 Cb 0.52 -2.94 0.00 0.00 -0.61 0.00 0.00 39.78 36.74 2by1 n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2by1 n GLY 54 N -1.35 1.45 3.52 7.41 0.00 -1.26 -5.05 105.19 109.92 2by1 n GLY 54 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 2by1 n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2by1 s THR 55 N -2.54 4.06 -0.09 2.61 2.01 -0.44 -5.07 115.64 116.18 2by1 s THR 55 Ca 0.00 -0.30 -0.19 0.00 0.31 0.00 0.00 61.69 61.51 2by1 s THR 55 Cb 0.00 -2.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.68 2by1 s THR 55 CO 0.00 0.48 0.52 -1.61 -0.69 0.00 0.00 174.62 173.32 2by1 s GLU 56 N 0.39 4.32 -0.10 4.92 2.02 -1.26 -0.73 118.70 128.27 2by1 s GLU 56 Ca -0.03 0.54 0.01 0.00 0.02 0.00 0.00 54.97 55.51 2by1 s GLU 56 Cb -0.14 -3.41 0.02 0.00 0.10 0.00 0.00 34.13 30.70 2by1 s GLU 56 CO 0.02 0.21 -0.13 -1.01 0.02 0.00 0.00 175.26 174.37 2by1 s HIS 57 N 0.43 1.74 0.12 1.61 3.76 0.22 -4.97 115.29 118.21 2by1 s HIS 57 Ca 0.28 -0.80 -0.02 0.00 -0.15 0.00 0.00 55.06 54.37 2by1 s HIS 57 Cb -0.16 -1.30 0.03 0.00 1.11 0.00 0.00 32.58 32.26 2by1 s HIS 57 CO 0.12 -0.44 0.09 0.28 -0.85 0.00 0.00 174.74 173.94 2by1 n VAL 58 N 4.29 0.00 -4.60 -0.90 0.31 -1.26 -0.68 118.33 115.48 2by1 n VAL 58 Ca -0.19 -0.02 -0.27 0.00 -0.01 0.00 0.00 64.34 63.85 2by1 n VAL 58 Cb 0.51 -0.58 -0.17 0.00 -0.91 0.00 0.00 33.84 32.70 2by1 n VAL 58 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2by1 s THR 60 N -1.14 1.37 -0.04 2.52 2.01 0.05 -4.89 115.64 115.52 2by1 s THR 60 Ca 0.06 -0.59 -0.30 0.00 0.31 0.00 0.00 61.69 61.17 2by1 s THR 60 Cb -0.01 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 71.23 2by1 s THR 60 CO 0.05 0.41 1.09 -0.55 -0.69 0.00 0.00 174.62 174.93 2by1 s SER 61 N 0.78 7.19 -0.01 3.53 0.15 -1.26 -1.27 113.70 122.81 2by1 s SER 61 Ca -0.12 1.72 0.15 0.00 0.70 0.00 0.00 55.95 58.40 2by1 s SER 61 Cb -0.16 -2.56 -0.19 0.00 -1.71 0.00 0.00 66.02 61.40 2by1 s SER 61 CO 0.02 -0.45 0.48 0.18 1.20 0.00 0.00 173.24 174.68 2by1 n LEU 62 N 4.65 0.36 0.00 3.45 4.77 0.15 -5.02 117.00 125.37 2by1 n LEU 62 Ca 0.09 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 2by1 n LEU 62 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2by1 n LEU 62 CO 0.53 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 2by1 n GLY 63 N 1.49 2.43 2.40 -0.72 0.00 -1.25 -4.93 105.19 104.62 2by1 n GLY 63 Ca 0.00 -1.86 -0.12 0.00 0.00 0.00 0.00 46.02 44.04 2by1 n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2by1 n GLY 64 N 1.41 1.33 2.23 -0.02 0.00 -1.26 -2.48 105.19 106.40 2by1 n GLY 64 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2by1 n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2by1 n GLY 65 N -1.29 0.48 3.75 -0.02 0.00 -1.26 -4.83 105.19 102.02 2by1 n GLY 65 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 2by1 n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2by1 s ILE 66 N -2.05 4.98 0.03 -0.61 -1.09 -1.04 -0.68 121.20 120.74 2by1 s ILE 66 Ca 0.00 1.22 0.05 0.00 -2.23 0.00 0.00 60.65 59.69 2by1 s ILE 66 Cb 0.00 -3.93 -0.02 0.00 -1.58 0.00 0.00 42.46 36.94 2by1 s ILE 66 CO 0.00 0.38 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.63 2by1 s TYR 67 N 0.07 1.35 -0.03 3.97 2.02 -0.18 -0.67 117.35 123.88 2by1 s TYR 67 Ca 0.31 -0.33 -0.12 0.00 -0.37 0.00 0.00 57.07 56.56 2by1 s TYR 67 Cb -0.18 -0.82 0.02 0.00 -0.40 0.00 0.00 41.96 40.58 2by1 s TYR 67 CO 0.16 0.03 0.27 -2.00 -1.57 0.00 0.00 175.55 172.44 2by1 s GLU 68 N -0.95 0.56 -0.16 -0.62 2.12 -0.39 -1.38 118.70 117.87 2by1 s GLU 68 Ca 0.04 -0.12 -0.19 0.00 0.36 0.00 0.00 54.97 55.06 2by1 s GLU 68 Cb -0.07 0.25 0.05 0.00 0.26 0.00 0.00 34.13 34.61 2by1 s GLU 68 CO 0.01 -0.14 0.52 -1.17 -0.54 0.00 0.00 175.26 173.94 2by1 s LEU 69 N -1.03 0.02 -0.16 2.70 2.96 -0.41 -0.77 118.68 121.99 2by1 s LEU 69 Ca -0.11 0.92 -0.03 0.00 -0.22 0.00 0.00 54.13 54.69 2by1 s LEU 69 Cb -0.05 1.83 -0.02 0.00 0.50 0.00 0.00 46.19 48.44 2by1 s LEU 69 CO 0.03 -0.26 -0.07 -1.61 -1.32 0.00 0.00 176.35 173.12 2by1 s GLU 70 N -0.06 3.55 0.10 1.98 2.02 -1.26 -0.45 118.70 124.57 2by1 s GLU 70 Ca -0.03 -0.58 0.04 0.00 0.02 0.00 0.00 54.97 54.42 2by1 s GLU 70 Cb -0.03 -2.84 -0.04 0.00 0.10 0.00 0.00 34.13 31.32 2by1 s GLU 70 CO 0.02 0.18 -0.11 -0.51 0.02 0.00 0.00 175.26 174.87 2by1 s LEU 71 N 0.49 2.40 0.00 1.80 1.43 -0.49 -4.99 118.68 119.33 2by1 s LEU 71 Ca -0.05 -0.80 0.00 0.00 -1.03 0.00 0.00 54.13 52.25 2by1 s LEU 71 Cb -0.15 -0.34 0.00 0.00 0.03 0.00 0.00 46.19 45.74 2by1 s LEU 71 CO 0.03 -0.24 0.57 -2.65 0.23 0.00 0.00 176.35 174.29 2by1 n PRO 72 N 0.60 0.73 -3.19 1.29 -0.02 -1.25 -0.41 135.00 132.74 2by1 n PRO 72 Ca -0.16 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 60.99 2by1 n PRO 72 Cb 0.57 -1.24 -0.06 0.00 -0.02 0.00 0.00 33.50 32.76 2by1 n PRO 72 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2by1 s VAL 73 N -0.30 4.72 0.13 -1.45 -7.23 -1.26 -4.63 120.40 110.38 2by1 s VAL 73 Ca 0.00 0.89 0.01 0.00 -1.81 0.00 0.00 61.98 61.07 2by1 s VAL 73 Cb 0.00 -3.63 0.01 0.00 0.56 0.00 0.00 36.38 33.32 2by1 s VAL 73 CO 0.00 -0.13 0.09 0.61 -0.31 0.00 0.00 175.10 175.36 2by1 n GLY 74 N -0.22 3.01 3.67 2.32 0.00 -1.26 -2.05 105.19 110.66 2by1 n GLY 74 Ca 0.02 -2.20 -0.44 0.00 0.00 0.00 0.00 46.02 43.41 2by1 n GLY 74 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2by1 n PRO 75 N -0.79 1.98 0.00 1.61 -0.02 -1.26 -1.36 135.00 135.16 2by1 n PRO 75 Ca -0.01 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2by1 n PRO 75 Cb 0.15 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 2by1 n PRO 75 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2by1 n GLY 76 N 1.33 3.38 3.75 -1.23 0.00 -0.07 -4.97 105.19 107.39 2by1 n GLY 76 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 2by1 n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2by1 s ALA 77 N -2.95 2.82 -0.12 4.61 0.00 -0.46 -4.67 121.76 121.00 2by1 s ALA 77 Ca 0.00 1.20 -0.03 0.00 0.00 0.00 0.00 51.96 53.13 2by1 s ALA 77 Cb 0.00 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 2by1 s ALA 77 CO 0.00 -1.17 0.00 1.03 0.00 0.00 0.00 175.76 175.62 2by1 s ARG 78 N -2.90 3.30 0.14 0.00 1.81 -1.26 -0.83 118.95 119.22 2by1 s ARG 78 Ca 0.70 -0.42 -0.17 0.00 -1.72 0.00 0.00 55.73 54.12 2by1 s ARG 78 Cb -0.36 -2.89 0.04 0.00 -0.45 0.00 0.00 34.95 31.28 2by1 s ARG 78 CO 0.43 0.53 0.44 1.52 -0.68 0.00 0.00 175.30 177.54 2by1 s TYR 79 N -0.40 -0.20 0.29 -0.53 -0.85 -0.02 -0.29 117.35 115.35 2by1 s TYR 79 Ca 0.08 -0.12 -0.08 0.00 -0.52 0.00 0.00 57.07 56.43 2by1 s TYR 79 Cb -0.12 0.31 -0.00 0.00 0.38 0.00 0.00 41.96 42.52 2by1 s TYR 79 CO 0.02 -0.76 0.47 -0.48 -1.52 0.00 0.00 175.55 173.28 2by1 s LEU 80 N -2.82 0.61 0.15 -3.49 0.05 -0.79 -0.03 118.68 112.37 2by1 s LEU 80 Ca 0.05 -1.18 0.04 0.00 0.05 0.00 0.00 54.13 53.08 2by1 s LEU 80 Cb 0.01 1.64 -0.04 0.00 -2.05 0.00 0.00 46.19 45.75 2by1 s LEU 80 CO -0.10 -1.22 0.21 -0.36 -0.55 0.00 0.00 176.35 174.34 2by1 s PHE 81 N -3.55 3.32 -0.22 3.48 0.08 -0.66 -0.84 117.98 119.58 2by1 s PHE 81 Ca 0.26 0.05 0.01 0.00 0.12 0.00 0.00 56.93 57.38 2by1 s PHE 81 Cb -0.00 -1.59 0.05 0.00 -0.57 0.00 0.00 43.02 40.91 2by1 s PHE 81 CO 0.14 0.52 -0.09 0.08 -0.10 0.00 0.00 175.22 175.76 2by1 s VAL 82 N -1.74 1.75 -0.28 -0.44 1.01 0.98 0.19 120.40 121.88 2by1 s VAL 82 Ca 0.33 -1.21 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 2by1 s VAL 82 Cb -0.11 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.41 2by1 s VAL 82 CO 0.26 0.06 0.03 -0.76 0.00 0.00 0.00 175.10 174.69 2by1 s LEU 83 N 1.32 3.59 -1.63 3.92 1.43 -0.74 -1.40 118.68 125.17 2by1 s LEU 83 Ca -0.04 -0.73 -0.16 0.00 -1.03 0.00 0.00 54.13 52.16 2by1 s LEU 83 Cb -0.18 -1.81 0.13 0.00 0.03 0.00 0.00 46.19 44.36 2by1 s LEU 83 CO -0.07 -0.16 0.85 0.47 0.23 0.00 0.00 176.35 177.67 2by1 n ASP 84 N 4.80 -3.74 0.00 2.29 8.00 0.01 -1.15 116.55 126.75 2by1 n ASP 84 Ca -0.15 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.42 2by1 n ASP 84 Cb 0.48 -3.18 0.00 0.00 -0.02 0.00 0.00 41.12 38.40 2by1 n ASP 84 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2by1 n GLY 85 N -1.52 1.21 3.56 0.44 0.00 -1.26 -5.01 105.19 102.59 2by1 n GLY 85 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 2by1 n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2by1 s VAL 86 N -3.58 5.24 0.16 1.61 1.01 -0.30 -5.06 120.40 119.49 2by1 s VAL 86 Ca 0.00 0.05 -0.31 0.00 0.00 0.00 0.00 61.98 61.71 2by1 s VAL 86 Cb 0.00 -3.70 -0.09 0.00 0.00 0.00 0.00 36.38 32.59 2by1 s VAL 86 CO 0.00 0.05 1.48 -2.84 0.00 0.00 0.00 175.10 173.79 2by1 s PRO 87 N 1.86 4.26 -0.03 2.72 0.02 -1.26 -1.80 135.00 140.77 2by1 s PRO 87 Ca 0.09 2.24 -0.01 0.00 0.02 0.00 0.00 61.00 63.34 2by1 s PRO 87 Cb -0.17 -3.18 0.03 0.00 0.02 0.00 0.00 34.50 31.20 2by1 s PRO 87 CO 0.11 -0.51 0.05 0.99 -0.33 0.00 0.00 177.00 177.30 2by1 s THR 88 N 0.95 -0.08 0.79 0.99 2.01 0.13 -4.97 115.64 115.46 2by1 s THR 88 Ca 0.66 0.33 -0.14 0.00 0.31 0.00 0.00 61.69 62.85 2by1 s THR 88 Cb -0.41 -0.12 0.03 0.00 0.01 0.00 0.00 72.50 72.01 2by1 s THR 88 CO 0.33 0.14 0.86 -2.65 -0.69 0.00 0.00 174.62 172.61 2by1 n PRO 89 N 4.81 0.20 -2.71 4.92 -0.02 -1.26 -1.66 135.00 139.28 2by1 n PRO 89 Ca -0.14 0.13 -0.43 0.00 -2.02 0.00 0.00 63.50 61.04 2by1 n PRO 89 Cb 0.50 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 2by1 n PRO 89 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2by1 s ASP 90 N -1.84 6.96 0.60 2.55 2.15 -1.26 -4.76 116.67 121.06 2by1 s ASP 90 Ca 0.69 1.15 0.37 0.00 0.43 0.00 0.00 52.55 55.19 2by1 s ASP 90 Cb -0.30 -2.52 1.87 0.00 -0.30 0.00 0.00 42.92 41.67 2by1 s ASP 90 CO 0.55 -0.72 2.18 -0.65 -0.17 0.00 0.00 175.17 176.36 2by1 h PRO 91 N 7.78 0.00 -0.55 4.34 0.11 -1.93 -0.40 132.00 141.35 2by1 h PRO 91 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2by1 h PRO 91 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2by1 h PRO 91 CO 0.98 0.02 0.00 0.66 -0.21 0.00 0.00 178.00 179.45 2by1 n TYR 92 N -3.21 0.77 -1.58 0.65 4.01 -1.26 -4.40 117.16 112.14 2by1 n TYR 92 Ca -0.02 -0.37 -0.50 0.00 -0.16 0.00 0.00 57.90 56.86 2by1 n TYR 92 Cb 0.18 -0.02 -0.05 0.00 -0.31 0.00 0.00 39.34 39.14 2by1 n TYR 92 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2by1 n ALA 93 N 1.04 -0.81 0.53 -0.72 0.00 -0.16 -4.73 120.51 115.66 2by1 n ALA 93 Ca 0.18 0.48 0.12 0.00 0.00 0.00 0.00 53.44 54.22 2by1 n ALA 93 Cb 0.48 -2.05 0.16 0.00 0.00 0.00 0.00 19.45 18.04 2by1 n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2by1 h ARG 94 N 3.84 0.00 -1.90 0.00 2.47 -1.77 -3.04 114.38 113.97 2by1 h ARG 94 Ca -0.45 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.25 2by1 h ARG 94 Cb 1.34 0.00 -0.21 0.00 -1.65 0.00 0.00 29.97 29.45 2by1 h ARG 94 CO 0.73 0.00 0.25 0.12 0.56 0.00 0.00 179.97 181.63 2by1 s PHE 95 N -3.18 -0.63 -0.49 3.04 5.36 -1.26 -4.12 117.98 116.69 2by1 s PHE 95 Ca 0.06 1.23 0.05 0.00 -0.96 0.00 0.00 56.93 57.31 2by1 s PHE 95 Cb 0.13 0.38 0.18 0.00 -0.34 0.00 0.00 43.02 43.37 2by1 s PHE 95 CO 0.73 -0.49 0.41 1.28 -1.46 0.00 0.00 175.22 175.69 2by1 n LEU 96 N 1.37 0.60 0.29 6.12 4.77 -1.26 -1.20 117.00 127.68 2by1 n LEU 96 Ca -0.16 -4.65 0.15 0.00 -0.03 0.00 0.00 56.01 51.32 2by1 n LEU 96 Cb 0.57 0.19 0.86 0.00 -2.33 0.00 0.00 43.42 42.70 2by1 n LEU 96 CO 0.17 1.86 1.06 1.55 -1.33 0.00 0.00 177.39 180.70 2by1 h PRO 97 N 5.36 0.00 -0.38 3.23 0.13 -1.94 -1.14 132.00 137.25 2by1 h PRO 97 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 2by1 h PRO 97 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2by1 h PRO 97 CO 0.48 0.05 0.00 -0.25 -0.23 0.00 0.00 178.00 178.06 2by1 n ASP 98 N -3.65 4.39 0.00 1.44 8.00 -1.26 -4.97 116.55 120.50 2by1 n ASP 98 Ca -0.02 -2.87 0.00 0.00 0.71 0.00 0.00 54.79 52.60 2by1 n ASP 98 Cb 0.16 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 2by1 n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2by1 n GLY 99 N 0.01 -2.58 0.04 0.44 0.00 -0.43 -4.38 105.19 98.28 2by1 n GLY 99 Ca 0.23 -1.70 0.10 0.00 0.00 0.00 0.00 46.02 44.65 2by1 n GLY 99 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2by1 n VAL 100 N -0.40 0.68 -0.08 1.61 0.24 -1.26 -1.85 118.33 117.27 2by1 n VAL 100 Ca 0.00 0.13 0.10 0.00 -2.04 0.00 0.00 64.34 62.53 2by1 n VAL 100 Cb 0.00 -0.87 0.23 0.00 -1.47 0.00 0.00 33.84 31.73 2by1 n VAL 100 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2by1 n HIS 101 N -1.72 0.63 -3.22 6.34 8.25 -1.26 -4.76 115.22 119.49 2by1 n HIS 101 Ca 0.04 -0.40 -0.21 0.00 -0.26 0.00 0.00 57.72 56.89 2by1 n HIS 101 Cb 0.25 -0.01 0.05 0.00 1.12 0.00 0.00 29.99 31.41 2by1 n HIS 101 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2by1 n GLY 102 N 1.21 2.13 3.76 -1.41 0.00 -0.77 -4.83 105.19 105.28 2by1 n GLY 102 Ca 0.18 -2.24 -0.38 0.00 0.00 0.00 0.00 46.02 43.58 2by1 n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2by1 s GLU 103 N -4.60 3.58 0.62 1.61 2.02 -1.26 -4.69 118.70 115.97 2by1 s GLU 103 Ca 0.56 2.05 -0.10 0.00 0.02 0.00 0.00 54.97 57.50 2by1 s GLU 103 Cb -0.04 -2.44 -0.02 0.00 0.10 0.00 0.00 34.13 31.73 2by1 s GLU 103 CO 0.35 -0.78 1.00 0.00 0.02 0.00 0.00 175.26 175.85 2by1 s ALA 104 N -1.38 3.11 -0.07 5.21 0.00 0.95 -4.28 121.76 125.30 2by1 s ALA 104 Ca 0.65 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 52.31 2by1 s ALA 104 Cb -0.36 -2.93 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 2by1 s ALA 104 CO 0.43 -0.79 -0.07 -2.00 0.00 0.00 0.00 175.76 173.33 2by1 s GLU 105 N -5.14 2.78 0.09 0.00 2.12 -0.34 -0.84 118.70 117.37 2by1 s GLU 105 Ca 0.55 -0.56 -0.31 0.00 0.36 0.00 0.00 54.97 55.01 2by1 s GLU 105 Cb -0.11 -2.59 -0.06 0.00 0.26 0.00 0.00 34.13 31.63 2by1 s GLU 105 CO 0.51 0.63 1.23 0.08 -0.54 0.00 0.00 175.26 177.17 2by1 s VAL 106 N -0.73 3.82 -0.02 3.70 1.01 -0.01 -4.04 120.40 124.13 2by1 s VAL 106 Ca 0.11 1.34 0.07 0.00 0.00 0.00 0.00 61.98 63.50 2by1 s VAL 106 Cb -0.11 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 2by1 s VAL 106 CO 0.01 0.13 -0.24 -0.69 0.00 0.00 0.00 175.10 174.31 2by1 s VAL 107 N 0.85 1.90 -0.26 2.92 1.01 -1.26 -0.89 120.40 124.68 2by1 s VAL 107 Ca 0.59 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 2by1 s VAL 107 Cb -0.31 -1.59 0.03 0.00 0.00 0.00 0.00 36.38 34.51 2by1 s VAL 107 CO 0.31 0.54 -0.04 -0.62 0.00 0.00 0.00 175.10 175.28 2by1 s ASP 108 N -0.49 4.45 0.05 3.32 -1.08 -1.26 -4.59 116.67 117.07 2by1 s ASP 108 Ca 0.07 -0.93 0.23 0.00 -0.52 0.00 0.00 52.55 51.40 2by1 s ASP 108 Cb -0.10 -1.68 0.93 0.00 -1.46 0.00 0.00 42.92 40.61 2by1 s ASP 108 CO -0.00 -0.15 1.71 0.49 0.52 0.00 0.00 175.17 177.74 2by1 n PHE 109 N 4.67 0.17 0.74 -5.34 3.72 -1.26 -3.21 117.46 116.95 2by1 n PHE 109 Ca -0.16 0.06 0.13 0.00 -0.05 0.00 0.00 57.45 57.43 2by1 n PHE 109 Cb 0.46 -0.59 0.49 0.00 -0.94 0.00 0.00 39.48 38.90 2by1 n PHE 109 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2by1 n GLY 110 N 0.76 -1.57 0.08 1.37 0.00 -1.26 -4.04 105.19 100.54 2by1 n GLY 110 Ca 0.05 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 2by1 n GLY 110 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2by1 h THR 111 N 0.00 1.25 -2.77 2.61 2.02 -2.00 -3.47 112.91 110.55 2by1 h THR 111 Ca 0.00 -1.13 -0.58 0.00 0.77 0.00 0.00 66.41 65.47 2by1 h THR 111 Cb 0.60 1.98 0.09 0.00 -1.74 0.00 0.00 68.15 69.07 2by1 h THR 111 CO 0.00 0.28 0.59 0.33 0.37 0.00 0.00 175.52 177.09 2by1 n PHE 112 N -4.89 2.17 -3.15 3.16 7.35 -1.26 -4.90 117.46 115.96 2by1 n PHE 112 Ca -0.09 0.45 -0.46 0.00 -0.76 0.00 0.00 57.45 56.60 2by1 n PHE 112 Cb 0.26 -2.45 -0.02 0.00 0.35 0.00 0.00 39.48 37.62 2by1 n PHE 112 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2by1 s ASP 113 N 0.19 6.69 0.34 -2.13 1.01 -1.26 -5.02 116.67 116.49 2by1 s ASP 113 Ca 0.66 -2.37 -0.28 0.00 0.71 0.00 0.00 52.55 51.26 2by1 s ASP 113 Cb -0.64 -2.30 -0.10 0.00 1.01 0.00 0.00 42.92 40.90 2by1 s ASP 113 CO 0.52 -0.80 1.26 0.26 0.21 0.00 0.00 175.17 176.62 2by1 s TRP 114 N 1.34 3.11 -0.16 4.23 0.52 -1.26 -4.95 118.94 121.77 2by1 s TRP 114 Ca 0.24 1.47 0.17 0.00 0.02 0.00 0.00 56.10 58.00 2by1 s TRP 114 Cb -0.08 -3.60 0.34 0.00 -1.15 0.00 0.00 33.47 28.99 2by1 s TRP 114 CO -0.09 -1.63 1.22 0.25 0.02 0.00 0.00 176.95 176.72 2by1 n THR 115 N 0.74 1.93 -1.39 2.01 -2.24 -1.26 -4.79 114.28 109.28 2by1 n THR 115 Ca 0.00 -2.06 -0.19 0.00 -2.27 0.00 0.00 64.05 59.54 2by1 n THR 115 Cb 0.43 -0.19 0.16 0.00 -2.10 0.00 0.00 70.33 68.63 2by1 n THR 115 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2by1 n ASP 116 N -1.08 4.02 0.28 3.42 5.75 -1.26 -4.59 116.55 123.09 2by1 n ASP 116 Ca 0.17 -3.72 0.14 0.00 -0.01 0.00 0.00 54.79 51.36 2by1 n ASP 116 Cb 0.69 -0.75 0.80 0.00 -1.03 0.00 0.00 41.12 40.82 2by1 n ASP 116 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2by1 h ALA 117 N 1.26 1.36 -0.19 2.12 0.00 -2.00 -1.86 119.26 119.94 2by1 h ALA 117 Ca 0.46 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2by1 h ALA 117 Cb 1.99 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.77 2by1 h ALA 117 CO 0.90 0.10 0.00 -0.25 0.00 0.00 0.00 179.25 180.00 2by1 n ASP 118 N -3.70 1.66 -4.77 0.00 8.00 -1.26 -4.81 116.55 111.67 2by1 n ASP 118 Ca -0.02 -1.75 -0.38 0.00 0.71 0.00 0.00 54.79 53.35 2by1 n ASP 118 Cb 0.18 -0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 41.10 2by1 n ASP 118 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2by1 s TRP 119 N -1.75 3.61 -0.20 1.24 -0.11 -0.70 -5.00 118.94 116.03 2by1 s TRP 119 Ca 0.31 0.96 0.15 0.00 1.22 0.00 0.00 56.10 58.74 2by1 s TRP 119 Cb 0.16 -2.46 0.45 0.00 -1.50 0.00 0.00 33.47 30.12 2by1 s TRP 119 CO 0.24 0.36 1.18 0.72 -4.62 0.00 0.00 176.95 174.83 2by1 n HIS 120 N 2.91 1.05 -2.56 5.86 8.25 -1.26 -5.07 115.22 124.40 2by1 n HIS 120 Ca -0.10 -1.63 0.00 0.00 -0.26 0.00 0.00 57.72 55.74 2by1 n HIS 120 Cb 0.52 -0.25 -0.00 0.00 1.12 0.00 0.00 29.99 31.38 2by1 n HIS 120 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2by1 n GLY 121 N -0.55 -2.16 2.98 -1.41 0.00 -1.26 -4.81 105.19 97.98 2by1 n GLY 121 Ca 0.21 -1.47 -0.12 0.00 0.00 0.00 0.00 46.02 44.64 2by1 n GLY 121 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2by1 s ILE 122 N -0.37 0.01 0.44 -0.61 2.07 -1.26 -5.01 121.20 116.47 2by1 s ILE 122 Ca 0.00 -0.06 -0.21 0.00 -1.41 0.00 0.00 60.65 58.97 2by1 s ILE 122 Cb 0.00 -0.16 -0.10 0.00 0.13 0.00 0.00 42.46 42.33 2by1 s ILE 122 CO 0.00 -0.03 0.96 -0.54 -1.91 0.00 0.00 174.94 173.42 2by1 s LYS 123 N -0.06 4.15 0.26 3.50 1.02 -1.26 -4.90 119.74 122.45 2by1 s LYS 123 Ca -0.01 1.13 -0.02 0.00 0.02 0.00 0.00 55.97 57.09 2by1 s LYS 123 Cb -0.01 -2.17 0.48 0.00 -0.52 0.00 0.00 37.83 35.61 2by1 s LYS 123 CO 0.00 -0.10 1.81 1.25 -0.92 0.00 0.00 175.35 177.39 2by1 h LEU 124 N 1.78 0.73 -2.00 3.17 5.85 -1.96 -0.69 115.31 122.19 2by1 h LEU 124 Ca -0.49 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.29 2by1 h LEU 124 Cb 1.18 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.13 2by1 h LEU 124 CO 0.61 0.39 0.00 0.00 -0.34 0.00 0.00 178.44 179.09 2by1 h ALA 125 N 1.50 1.00 -0.15 1.25 0.00 -1.93 -0.23 119.26 120.71 2by1 h ALA 125 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2by1 h ALA 125 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2by1 h ALA 125 CO -0.28 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 178.72 2by1 n ASP 126 N -2.66 2.97 -4.76 0.00 8.00 -0.28 -4.98 116.55 114.84 2by1 n ASP 126 Ca -0.02 -1.91 -0.40 0.00 0.71 0.00 0.00 54.79 53.17 2by1 n ASP 126 Cb 0.09 -0.08 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 2by1 n ASP 126 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2by1 s VAL 128 N -0.64 1.34 0.39 0.00 1.01 -1.26 -4.23 120.40 117.01 2by1 s VAL 128 Ca 0.39 -1.22 -0.23 0.00 0.00 0.00 0.00 61.98 60.93 2by1 s VAL 128 Cb -0.23 -1.72 -0.10 0.00 0.00 0.00 0.00 36.38 34.33 2by1 s VAL 128 CO 0.27 -0.22 0.95 -0.36 0.00 0.00 0.00 175.10 175.74 2by1 s PHE 129 N 1.46 3.44 -0.21 5.22 0.08 -0.39 -1.64 117.98 125.94 2by1 s PHE 129 Ca -0.02 1.67 -0.02 0.00 0.12 0.00 0.00 56.93 58.68 2by1 s PHE 129 Cb -0.18 -2.89 0.06 0.00 -0.57 0.00 0.00 43.02 39.44 2by1 s PHE 129 CO -0.09 -0.03 0.03 -0.47 -0.10 0.00 0.00 175.22 174.56 2by1 s TYR 130 N -1.96 1.26 -0.27 0.36 5.04 -0.05 -0.47 117.35 121.25 2by1 s TYR 130 Ca 0.58 -1.06 -0.28 0.00 -2.44 0.00 0.00 57.07 53.86 2by1 s TYR 130 Cb -0.13 -1.16 0.01 0.00 0.35 0.00 0.00 41.96 41.03 2by1 s TYR 130 CO 0.17 -0.66 1.03 -2.00 -1.34 0.00 0.00 175.55 172.75 2by1 s GLU 131 N 1.78 4.15 0.08 4.97 2.12 0.39 -0.78 118.70 131.42 2by1 s GLU 131 Ca -0.00 1.16 0.07 0.00 0.36 0.00 0.00 54.97 56.56 2by1 s GLU 131 Cb -0.17 -3.69 -0.04 0.00 0.26 0.00 0.00 34.13 30.49 2by1 s GLU 131 CO -0.10 -0.74 -0.13 0.14 -0.54 0.00 0.00 175.26 173.89 2by1 s VAL 132 N 3.35 3.18 -0.31 3.70 -7.23 -0.16 -1.20 120.40 121.74 2by1 s VAL 132 Ca 0.43 -1.22 -0.02 0.00 -1.81 0.00 0.00 61.98 59.36 2by1 s VAL 132 Cb -0.14 -2.44 0.05 0.00 0.56 0.00 0.00 36.38 34.42 2by1 s VAL 132 CO 0.10 0.20 0.02 -2.28 -0.31 0.00 0.00 175.10 172.83 2by1 s HIS 133 N -1.11 3.30 0.27 2.82 2.46 -1.26 -4.45 115.29 117.32 2by1 s HIS 133 Ca 0.19 -1.93 0.01 0.00 0.47 0.00 0.00 55.06 53.79 2by1 s HIS 133 Cb -0.11 -2.20 0.56 0.00 -0.13 0.00 0.00 32.58 30.70 2by1 s HIS 133 CO 0.10 -0.82 1.79 0.28 -2.47 0.00 0.00 174.74 173.63 2by1 h VAL 134 N 6.46 0.80 -0.08 0.89 2.07 -1.94 -0.49 116.25 123.96 2by1 h VAL 134 Ca -0.20 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 2by1 h VAL 134 Cb 1.06 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2by1 h VAL 134 CO 0.54 0.14 -0.16 1.23 0.02 0.00 0.00 177.57 179.34 2by1 h GLY 135 N 0.77 0.13 0.00 2.17 0.00 -1.92 -3.22 103.07 101.00 2by1 h GLY 135 Ca 0.49 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.74 2by1 h GLY 135 CO -0.33 0.08 -1.12 -1.30 0.00 0.00 0.00 176.54 173.87 2by1 n THR 136 N -4.29 0.00 0.05 4.70 -2.24 -0.84 -4.27 114.28 107.40 2by1 n THR 136 Ca -0.01 -0.24 0.05 0.00 -2.27 0.00 0.00 64.05 61.57 2by1 n THR 136 Cb 0.26 0.63 0.46 0.00 -2.10 0.00 0.00 70.33 69.58 2by1 n THR 136 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2by1 h PHE 137 N 0.00 0.41 -3.84 4.78 3.57 -1.12 -1.71 116.94 119.02 2by1 h PHE 137 Ca 0.00 0.01 -0.26 0.00 3.53 0.00 0.00 57.97 61.25 2by1 h PHE 137 Cb 0.49 -0.14 -0.15 0.00 2.79 0.00 0.00 35.95 38.95 2by1 h PHE 137 CO 0.00 0.27 -0.67 0.95 -2.23 0.00 0.00 178.31 176.62 2by1 s THR 138 N -5.39 0.63 0.21 4.41 -4.23 -1.26 -4.62 115.64 105.39 2by1 s THR 138 Ca -0.08 -1.96 -0.09 0.00 -1.18 0.00 0.00 61.69 58.38 2by1 s THR 138 Cb 0.17 -1.97 0.17 0.00 1.34 0.00 0.00 72.50 72.22 2by1 s THR 138 CO 0.72 -0.61 1.71 -0.65 -0.54 0.00 0.00 174.62 175.25 2by1 h PRO 139 N 2.80 0.27 -0.20 3.99 0.11 -1.85 -2.27 132.00 134.84 2by1 h PRO 139 Ca -0.36 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.62 2by1 h PRO 139 Cb 1.19 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2by1 h PRO 139 CO 0.63 0.18 -0.37 0.93 -0.21 0.00 0.00 178.00 179.16 2by1 h GLU 140 N 0.27 0.44 -3.10 1.05 3.07 -1.95 -3.47 114.58 110.89 2by1 h GLU 140 Ca 0.33 -0.20 -0.20 0.00 -0.50 0.00 0.00 59.36 58.78 2by1 h GLU 140 Cb 0.49 -0.01 0.06 0.00 -0.84 0.00 0.00 28.75 28.45 2by1 h GLU 140 CO -0.41 0.75 -0.32 0.41 -1.40 0.00 0.00 179.01 178.04 2by1 n GLY 141 N -0.15 0.18 3.35 -3.84 0.00 -0.86 -5.03 105.19 98.84 2by1 n GLY 141 Ca -0.01 -0.25 -0.18 0.00 0.00 0.00 0.00 46.02 45.57 2by1 n GLY 141 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2by1 s THR 142 N -3.06 1.20 0.22 2.61 -4.23 -1.25 -4.08 115.64 107.05 2by1 s THR 142 Ca 0.25 -2.06 -0.09 0.00 -1.18 0.00 0.00 61.69 58.61 2by1 s THR 142 Cb -0.11 -2.34 0.19 0.00 1.34 0.00 0.00 72.50 71.58 2by1 s THR 142 CO 0.31 -0.34 1.90 1.88 -0.54 0.00 0.00 174.62 177.82 2by1 h TYR 143 N 2.44 1.07 -0.80 3.99 0.99 -1.37 -1.53 116.97 121.75 2by1 h TYR 143 Ca -0.39 0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.39 2by1 h TYR 143 Cb 1.22 -0.36 -0.05 0.00 1.00 0.00 0.00 36.73 38.55 2by1 h TYR 143 CO 0.61 0.67 0.52 0.00 -0.00 0.00 0.00 178.16 179.96 2by1 h ARG 144 N 1.15 1.00 -0.34 4.88 2.47 -1.83 0.12 114.38 121.82 2by1 h ARG 144 Ca 0.31 -0.06 -0.13 0.00 -1.26 0.00 0.00 59.98 58.84 2by1 h ARG 144 Cb -0.13 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 27.95 2by1 h ARG 144 CO -0.07 0.66 -0.33 0.00 0.56 0.00 0.00 179.97 180.80 2by1 h ALA 145 N 1.32 0.78 -0.71 0.04 0.00 -1.91 -2.97 119.26 115.81 2by1 h ALA 145 Ca 0.31 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2by1 h ALA 145 Cb -0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2by1 h ALA 145 CO -0.10 0.65 0.34 0.00 0.00 0.00 0.00 179.25 180.14 2by1 h ALA 146 N 0.99 0.91 -0.43 0.00 0.00 -0.51 -2.67 119.26 117.56 2by1 h ALA 146 Ca 0.07 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.91 2by1 h ALA 146 Cb 0.86 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2by1 h ALA 146 CO 0.08 0.48 0.29 0.00 0.00 0.00 0.00 179.25 180.10 2by1 h ALA 147 N 1.16 2.12 0.00 0.00 0.00 -0.64 -0.39 119.26 121.51 2by1 h ALA 147 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2by1 h ALA 147 Cb 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2by1 h ALA 147 CO -0.03 -0.22 0.00 0.93 0.00 0.00 0.00 179.25 179.94 2by1 h GLU 148 N 0.22 0.00 -0.02 0.00 4.39 -1.41 -1.92 114.58 115.83 2by1 h GLU 148 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 2by1 h GLU 148 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2by1 h GLU 148 CO -0.03 0.00 -0.10 1.63 -1.16 0.00 0.00 179.01 179.34 2by1 n LYS 149 N -2.33 1.88 -0.19 2.33 4.76 -0.16 -4.47 118.16 119.97 2by1 n LYS 149 Ca 0.01 -1.45 -0.03 0.00 -2.87 0.00 0.00 58.31 53.98 2by1 n LYS 149 Cb 0.19 -1.47 0.08 0.00 -1.84 0.00 0.00 35.03 31.98 2by1 n LYS 149 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2by1 h LEU 150 N 3.53 0.39 -1.33 -0.35 3.38 -1.34 -1.80 115.31 117.79 2by1 h LEU 150 Ca 0.00 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.05 2by1 h LEU 150 Cb 0.81 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 2by1 h LEU 150 CO 0.00 0.26 0.48 -0.65 0.09 0.00 0.00 178.44 178.62 2by1 h PRO 151 N 0.53 0.84 -0.41 1.13 0.11 -1.80 0.28 132.00 132.68 2by1 h PRO 151 Ca 0.26 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.32 2by1 h PRO 151 Cb 0.20 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.10 2by1 h PRO 151 CO -0.19 0.55 0.24 -0.92 -0.21 0.00 0.00 178.00 177.47 2by1 h TYR 152 N 0.86 0.55 -0.42 0.65 3.20 -1.68 -0.59 116.97 119.54 2by1 h TYR 152 Ca 0.30 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.05 2by1 h TYR 152 Cb 0.10 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 2by1 h TYR 152 CO -0.00 0.40 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.69 2by1 h LEU 153 N 0.54 0.87 -0.17 2.82 3.38 -0.60 0.15 115.31 122.29 2by1 h LEU 153 Ca 0.15 -0.39 0.04 0.00 0.09 0.00 0.00 57.88 57.77 2by1 h LEU 153 Cb 0.02 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 2by1 h LEU 153 CO -0.03 1.06 -0.07 0.50 0.09 0.00 0.00 178.44 179.99 2by1 h LYS 154 N 0.67 -0.04 -0.12 1.13 1.63 -0.85 -2.27 116.57 116.71 2by1 h LYS 154 Ca 0.10 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.83 2by1 h LYS 154 Cb 0.71 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.33 2by1 h LYS 154 CO 0.05 -0.03 -0.27 1.49 -3.45 0.00 0.00 179.45 177.25 2by1 h GLU 155 N -0.05 0.22 -0.77 1.90 4.22 -0.85 -2.52 114.58 116.74 2by1 h GLU 155 Ca 0.09 -0.08 0.03 0.00 0.08 0.00 0.00 59.36 59.49 2by1 h GLU 155 Cb 0.18 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 2by1 h GLU 155 CO -0.20 0.48 0.49 1.25 -2.18 0.00 0.00 179.01 178.85 2by1 h LEU 156 N 0.20 0.81 0.00 1.64 5.85 -0.34 -3.47 115.31 120.01 2by1 h LEU 156 Ca 0.03 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2by1 h LEU 156 Cb 0.58 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2by1 h LEU 156 CO 0.04 0.56 0.00 0.61 -0.34 0.00 0.00 178.44 179.31 2by1 n GLY 157 N -1.31 1.26 3.82 3.75 0.00 -0.89 -4.47 105.19 107.35 2by1 n GLY 157 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 2by1 n GLY 157 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2by1 s VAL 158 N -2.00 3.83 0.00 1.61 -7.23 -1.16 -4.91 120.40 110.53 2by1 s VAL 158 Ca 0.00 0.59 0.00 0.00 -1.81 0.00 0.00 61.98 60.76 2by1 s VAL 158 Cb 0.00 -3.37 0.00 0.00 0.56 0.00 0.00 36.38 33.57 2by1 s VAL 158 CO 0.00 -0.77 0.01 0.35 -0.31 0.00 0.00 175.10 174.37 2by1 n THR 159 N -3.17 0.00 -3.75 5.32 -2.24 -0.65 -4.63 114.28 105.16 2by1 n THR 159 Ca 0.07 -0.37 -0.12 0.00 -2.27 0.00 0.00 64.05 61.35 2by1 n THR 159 Cb 0.54 1.01 -0.12 0.00 -2.10 0.00 0.00 70.33 69.66 2by1 n THR 159 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2by1 s ALA 160 N -0.73 -0.61 -0.32 6.98 0.00 -0.81 -1.29 121.76 124.99 2by1 s ALA 160 Ca 0.00 0.92 -0.16 0.00 0.00 0.00 0.00 51.96 52.72 2by1 s ALA 160 Cb 0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 2by1 s ALA 160 CO 0.00 -0.17 0.41 0.42 0.00 0.00 0.00 175.76 176.41 2by1 s ILE 161 N 0.86 5.13 -0.44 0.00 -1.09 0.37 -0.87 121.20 125.16 2by1 s ILE 161 Ca -0.06 0.29 -0.14 0.00 -2.23 0.00 0.00 60.65 58.51 2by1 s ILE 161 Cb -0.07 -3.82 0.06 0.00 -1.58 0.00 0.00 42.46 37.04 2by1 s ILE 161 CO -0.06 -0.05 0.32 -1.58 -1.23 0.00 0.00 174.94 172.35 2by1 s GLN 162 N 2.13 2.88 0.00 2.79 2.00 0.04 0.06 119.66 129.57 2by1 s GLN 162 Ca 0.15 -1.27 0.00 0.00 -2.00 0.00 0.00 55.36 52.24 2by1 s GLN 162 Cb -0.16 -3.98 0.00 0.00 0.80 0.00 0.00 33.01 29.67 2by1 s GLN 162 CO 0.12 -0.91 0.00 0.28 -0.50 0.00 0.00 175.29 174.27 2by1 n VAL 163 N 5.11 0.00 -3.15 1.34 0.31 0.35 -0.99 118.33 121.30 2by1 n VAL 163 Ca -0.12 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.85 2by1 n VAL 163 Cb 0.44 -1.11 -0.06 0.00 -0.91 0.00 0.00 33.84 32.20 2by1 n VAL 163 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2by1 s PRO 165 N 1.84 4.25 0.00 5.55 0.02 -1.25 -0.93 135.00 144.48 2by1 s PRO 165 Ca 0.00 0.83 0.06 0.00 0.02 0.00 0.00 61.00 61.92 2by1 s PRO 165 Cb 0.00 -2.98 -0.02 0.00 0.02 0.00 0.00 34.50 31.51 2by1 s PRO 165 CO 0.00 0.46 0.43 1.28 -0.33 0.00 0.00 177.00 178.84 2by1 n LEU 166 N 0.98 0.75 -4.73 -5.54 4.77 -1.26 -4.51 117.00 107.46 2by1 n LEU 166 Ca -0.04 -0.68 -0.42 0.00 -0.03 0.00 0.00 56.01 54.84 2by1 n LEU 166 Cb 0.51 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.59 2by1 n LEU 166 CO 0.43 0.16 1.02 0.00 -1.33 0.00 0.00 177.39 177.67 2by1 n ALA 167 N -0.60 1.76 -1.76 -1.18 0.00 -1.26 -0.08 120.51 117.39 2by1 n ALA 167 Ca 0.02 0.36 -0.42 0.00 0.00 0.00 0.00 53.44 53.40 2by1 n ALA 167 Cb 0.13 -2.33 -0.02 0.00 0.00 0.00 0.00 19.45 17.22 2by1 n ALA 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2by1 s ALA 168 N -0.94 3.83 0.31 0.00 0.00 0.47 -4.46 121.76 120.98 2by1 s ALA 168 Ca 0.56 1.57 0.03 0.00 0.00 0.00 0.00 51.96 54.12 2by1 s ALA 168 Cb -0.54 -3.67 -0.06 0.00 0.00 0.00 0.00 23.12 18.86 2by1 s ALA 168 CO 0.61 -0.95 0.07 -0.59 0.00 0.00 0.00 175.76 174.90 2by1 s PHE 169 N 0.56 1.84 0.40 0.00 -0.12 -1.26 -0.22 117.98 119.18 2by1 s PHE 169 Ca 0.69 -1.03 -0.23 0.00 -0.05 0.00 0.00 56.93 56.30 2by1 s PHE 169 Cb -0.48 -1.17 -0.10 0.00 -0.63 0.00 0.00 43.02 40.63 2by1 s PHE 169 CO 0.40 -0.10 0.98 0.34 -0.05 0.00 0.00 175.22 176.79 2by1 s ASP 170 N -3.44 6.94 0.00 1.98 2.15 -1.26 -4.69 116.67 118.35 2by1 s ASP 170 Ca 0.36 1.82 0.00 0.00 0.43 0.00 0.00 52.55 55.16 2by1 s ASP 170 Cb 0.08 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 2by1 s ASP 170 CO 0.15 -0.36 0.00 0.61 -0.17 0.00 0.00 175.17 175.40 2by1 n GLY 171 N -0.11 -0.05 0.79 2.66 0.00 -1.25 -4.62 105.19 102.60 2by1 n GLY 171 Ca 0.06 -1.87 0.11 0.00 0.00 0.00 0.00 46.02 44.32 2by1 n GLY 171 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2by1 n GLN 172 N -0.05 1.91 -3.55 1.61 1.13 -1.26 -4.94 117.38 112.23 2by1 n GLN 172 Ca 0.00 -1.60 -0.11 0.00 -1.94 0.00 0.00 57.00 53.35 2by1 n GLN 172 Cb 0.00 -1.44 -0.03 0.00 0.11 0.00 0.00 30.24 28.89 2by1 n GLN 172 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 2by1 s ARG 173 N -2.03 1.34 0.00 -1.09 3.03 -1.26 -5.00 118.95 113.94 2by1 s ARG 173 Ca 0.24 -0.63 0.00 0.00 2.03 0.00 0.00 55.73 57.37 2by1 s ARG 173 Cb 0.18 0.57 0.00 0.00 -1.03 0.00 0.00 34.95 34.67 2by1 s ARG 173 CO 0.36 -0.58 0.00 0.41 -1.13 0.00 0.00 175.30 174.35 2by1 n GLY 174 N -0.37 1.52 0.27 3.88 0.00 -1.26 -3.33 105.19 105.90 2by1 n GLY 174 Ca -0.14 -0.77 -0.01 0.00 0.00 0.00 0.00 46.02 45.10 2by1 n GLY 174 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2by1 h TRP 175 N 0.00 0.57 0.00 1.61 4.06 -1.97 -3.48 115.95 116.75 2by1 h TRP 175 Ca 0.00 -0.07 0.00 0.00 2.06 0.00 0.00 58.89 60.88 2by1 h TRP 175 Cb 0.00 -0.16 0.00 0.00 -1.00 0.00 0.00 29.16 28.00 2by1 h TRP 175 CO 0.00 0.59 0.00 0.41 -3.56 0.00 0.00 178.44 175.88 2by1 n GLY 176 N -0.75 1.62 0.00 1.49 0.00 -1.26 -4.12 105.19 102.17 2by1 n GLY 176 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 2by1 n GLY 176 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2by1 n TYR 177 N 0.00 0.00 -0.53 1.61 4.01 -1.26 -2.17 117.16 118.82 2by1 n TYR 177 Ca 0.00 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.83 2by1 n TYR 177 Cb 0.00 0.00 0.32 0.00 -0.31 0.00 0.00 39.34 39.35 2by1 n TYR 177 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2by1 n ASP 178 N -0.88 4.28 -4.49 7.72 8.00 -1.26 -4.56 116.55 125.36 2by1 n ASP 178 Ca 0.17 -2.32 -0.49 0.00 0.71 0.00 0.00 54.79 52.86 2by1 n ASP 178 Cb 0.08 -0.51 -0.04 0.00 -0.02 0.00 0.00 41.12 40.63 2by1 n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2by1 n GLY 179 N 1.05 -0.83 0.00 0.44 0.00 -0.92 -3.56 105.19 101.37 2by1 n GLY 179 Ca 0.23 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.69 2by1 n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2by1 n ALA 180 N 0.60 1.53 -3.89 4.61 0.00 0.69 -0.46 120.51 123.59 2by1 n ALA 180 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.27 2by1 n ALA 180 Cb 0.24 0.09 -0.13 0.00 0.00 0.00 0.00 19.45 19.65 2by1 n ALA 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2by1 s ALA 181 N -1.53 3.23 0.05 0.00 0.00 -0.96 -4.52 121.76 118.03 2by1 s ALA 181 Ca 0.00 -2.95 0.33 0.00 0.00 0.00 0.00 51.96 49.34 2by1 s ALA 181 Cb 0.00 -2.27 1.42 0.00 0.00 0.00 0.00 23.12 22.28 2by1 s ALA 181 CO 0.00 -1.91 1.97 0.74 0.00 0.00 0.00 175.76 176.56 2by1 h PHE 182 N 7.19 0.00 -0.02 0.00 -1.00 -1.88 -2.53 116.94 118.70 2by1 h PHE 182 Ca -0.06 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.72 2by1 h PHE 182 Cb 0.97 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.53 2by1 h PHE 182 CO 0.55 0.00 -0.05 0.66 -1.61 0.00 0.00 178.31 177.86 2by1 n TYR 183 N -2.89 0.00 -3.87 -0.55 4.01 -1.26 -4.66 117.16 107.94 2by1 n TYR 183 Ca 0.00 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.39 2by1 n TYR 183 Cb 0.25 -0.01 -0.13 0.00 -0.31 0.00 0.00 39.34 39.14 2by1 n TYR 183 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2by1 s ALA 184 N -2.06 2.86 0.29 -0.72 0.00 -0.97 -4.38 121.76 116.78 2by1 s ALA 184 Ca 0.32 -1.74 -0.29 0.00 0.00 0.00 0.00 51.96 50.25 2by1 s ALA 184 Cb 0.20 -2.00 -0.10 0.00 0.00 0.00 0.00 23.12 21.22 2by1 s ALA 184 CO 0.35 -1.26 1.39 -2.14 0.00 0.00 0.00 175.76 174.10 2by1 s PRO 185 N 1.29 4.29 -0.12 0.00 0.02 -1.26 -0.39 135.00 138.83 2by1 s PRO 185 Ca -0.04 2.28 -0.32 0.00 0.02 0.00 0.00 61.00 62.94 2by1 s PRO 185 Cb -0.20 -3.09 -0.09 0.00 0.02 0.00 0.00 34.50 31.14 2by1 s PRO 185 CO -0.00 -0.34 2.03 0.98 -0.33 0.00 0.00 177.00 179.34 2by1 n TYR 186 N 1.64 2.19 -0.24 6.54 9.36 0.88 -4.68 117.16 132.85 2by1 n TYR 186 Ca 0.04 -0.09 0.02 0.00 3.32 0.00 0.00 57.90 61.18 2by1 n TYR 186 Cb 0.41 -2.70 0.25 0.00 -0.63 0.00 0.00 39.34 36.67 2by1 n TYR 186 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2by1 h ALA 187 N 11.42 1.49 -0.05 2.98 0.00 -1.82 -1.64 119.26 131.65 2by1 h ALA 187 Ca -0.44 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.44 2by1 h ALA 187 Cb 1.26 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2by1 h ALA 187 CO 0.96 0.44 0.08 -1.35 0.00 0.00 0.00 179.25 179.38 2by1 h PRO 188 N 1.01 0.00 0.00 0.00 0.11 -1.94 -0.39 132.00 130.80 2by1 h PRO 188 Ca 0.31 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.41 2by1 h PRO 188 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 2by1 h PRO 188 CO -0.09 0.00 -0.08 1.88 -0.21 0.00 0.00 178.00 179.50 2by1 h TYR 189 N 0.00 0.00 0.00 0.65 0.99 -1.53 -3.45 116.97 113.63 2by1 h TYR 189 Ca 0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.76 2by1 h TYR 189 Cb 0.19 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.92 2by1 h TYR 189 CO 0.00 0.08 0.00 0.41 -0.00 0.00 0.00 178.16 178.65 2by1 n GLY 190 N 0.72 3.15 3.93 3.88 0.00 -0.16 -0.93 105.19 115.78 2by1 n GLY 190 Ca 0.02 -1.67 -0.26 0.00 0.00 0.00 0.00 46.02 44.11 2by1 n GLY 190 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2by1 s ARG 191 N -2.03 1.90 0.25 1.61 0.52 -1.26 -4.50 118.95 115.44 2by1 s ARG 191 Ca 0.00 -0.32 -0.03 0.00 -0.52 0.00 0.00 55.73 54.87 2by1 s ARG 191 Cb 0.00 -2.11 0.47 0.00 0.52 0.00 0.00 34.95 33.82 2by1 s ARG 191 CO 0.00 -1.47 1.79 -1.35 0.02 0.00 0.00 175.30 174.29 2by1 h PRO 192 N -0.80 0.71 0.00 3.54 0.11 -1.92 -0.27 132.00 133.37 2by1 h PRO 192 Ca -0.44 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 2by1 h PRO 192 Cb 1.30 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2by1 h PRO 192 CO 0.56 0.47 -0.18 1.05 -0.21 0.00 0.00 178.00 179.69 2by1 h GLU 193 N 0.73 0.00 -0.42 1.05 9.09 -2.01 -2.03 114.58 120.99 2by1 h GLU 193 Ca 0.43 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.70 2by1 h GLU 193 Cb 0.50 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.58 2by1 h GLU 193 CO -0.30 0.18 -0.28 -0.44 0.05 0.00 0.00 179.01 178.22 2by1 h ASP 194 N 0.00 0.95 0.00 3.06 3.32 -1.42 -0.22 116.42 122.11 2by1 h ASP 194 Ca -0.00 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.66 2by1 h ASP 194 Cb 0.54 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2by1 h ASP 194 CO 0.02 1.17 0.00 -0.11 -1.72 0.00 0.00 179.24 178.60 2by1 n LEU 195 N -4.09 0.41 0.00 1.55 7.94 -0.76 -1.78 117.00 120.27 2by1 n LEU 195 Ca -0.01 -0.20 0.00 0.00 -1.11 0.00 0.00 56.01 54.69 2by1 n LEU 195 Cb 0.49 -0.11 0.00 0.00 0.53 0.00 0.00 43.42 44.33 2by1 n LEU 195 CO 0.47 0.08 0.00 0.00 -1.11 0.00 0.00 177.39 176.83 2by1 n ALA 197 N 0.61 0.00 -0.02 1.96 0.00 -0.10 -1.51 120.51 121.46 2by1 n ALA 197 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2by1 n ALA 197 Cb 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.46 2by1 n ALA 197 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2by1 h LEU 198 N 0.00 0.14 -0.32 0.00 5.85 -1.62 -0.77 115.31 118.59 2by1 h LEU 198 Ca 0.00 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 2by1 h LEU 198 Cb 0.00 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 2by1 h LEU 198 CO 0.00 0.34 0.19 0.58 -0.34 0.00 0.00 178.44 179.21 2by1 h VAL 199 N -0.07 1.11 -0.82 1.05 2.07 -1.56 -1.09 116.25 116.93 2by1 h VAL 199 Ca 0.03 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.33 2by1 h VAL 199 Cb 0.25 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 2by1 h VAL 199 CO 0.00 0.11 0.52 -0.78 0.02 0.00 0.00 177.57 177.44 2by1 h ASP 200 N 0.41 0.84 -0.61 0.57 3.58 -1.81 -0.42 116.42 118.99 2by1 h ASP 200 Ca 0.11 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.51 2by1 h ASP 200 Cb 0.01 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 40.86 2by1 h ASP 200 CO -0.02 0.57 0.16 0.00 -2.88 0.00 0.00 179.24 177.06 2by1 h ALA 201 N 1.36 0.81 -0.16 -0.78 0.00 -0.89 -1.10 119.26 118.50 2by1 h ALA 201 Ca 0.34 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2by1 h ALA 201 Cb 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2by1 h ALA 201 CO -0.13 0.51 0.08 0.00 0.00 0.00 0.00 179.25 179.70 2by1 h ALA 202 N 1.05 0.21 -0.60 0.00 0.00 -0.77 -2.42 119.26 116.73 2by1 h ALA 202 Ca 0.19 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2by1 h ALA 202 Cb 0.34 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2by1 h ALA 202 CO 0.00 -0.24 0.29 0.45 0.00 0.00 0.00 179.25 179.75 2by1 h HIS 203 N 0.14 0.83 -0.29 0.00 -0.00 -0.83 0.14 115.15 115.14 2by1 h HIS 203 Ca 0.06 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 2by1 h HIS 203 Cb 0.11 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.24 2by1 h HIS 203 CO -0.03 0.61 0.19 0.00 -0.00 0.00 0.00 177.93 178.70 2by1 h ARG 204 N 0.84 0.39 -0.08 2.45 2.47 -0.91 0.12 114.38 119.65 2by1 h ARG 204 Ca 0.21 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.90 2by1 h ARG 204 Cb 0.09 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2by1 h ARG 204 CO -0.03 0.27 0.00 1.28 0.56 0.00 0.00 179.97 182.05 2by1 n LEU 205 N -4.48 1.12 -0.53 3.04 4.77 -0.73 -4.93 117.00 115.27 2by1 n LEU 205 Ca 0.01 -0.44 -0.05 0.00 -0.03 0.00 0.00 56.01 55.51 2by1 n LEU 205 Cb 0.07 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.11 2by1 n LEU 205 CO 0.35 0.22 -0.06 0.61 -1.33 0.00 0.00 177.39 177.18 2by1 n GLY 206 N 1.06 0.27 3.72 -0.72 0.00 0.03 -5.01 105.19 104.54 2by1 n GLY 206 Ca 0.17 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 2by1 n GLY 206 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2by1 s LEU 207 N -1.35 3.82 0.59 0.99 1.43 -0.04 -4.98 118.68 119.13 2by1 s LEU 207 Ca 0.00 0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 53.21 2by1 s LEU 207 Cb 0.00 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 2by1 s LEU 207 CO 0.00 0.36 0.99 -0.83 0.23 0.00 0.00 176.35 177.09 2by1 s GLY 208 N -0.73 1.67 -0.04 -3.19 0.00 -0.41 -3.49 107.32 101.12 2by1 s GLY 208 Ca 0.12 -0.13 -0.00 0.00 0.00 0.00 0.00 44.72 44.71 2by1 s GLY 208 CO 0.02 0.12 -0.00 0.14 0.00 0.00 0.00 173.10 173.38 2by1 s VAL 209 N -3.07 0.27 0.11 1.40 1.01 -1.26 -0.48 120.40 118.39 2by1 s VAL 209 Ca 0.54 0.08 0.10 0.00 0.00 0.00 0.00 61.98 62.70 2by1 s VAL 209 Cb -0.11 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 2by1 s VAL 209 CO 0.51 0.19 -0.25 -0.36 0.00 0.00 0.00 175.10 175.19 2by1 s PHE 210 N 1.29 2.14 -0.06 5.22 0.08 0.11 -0.20 117.98 126.56 2by1 s PHE 210 Ca -0.06 -0.39 0.05 0.00 0.12 0.00 0.00 56.93 56.65 2by1 s PHE 210 Cb -0.13 -1.18 -0.00 0.00 -0.57 0.00 0.00 43.02 41.14 2by1 s PHE 210 CO -0.02 0.27 -0.21 -1.17 -0.10 0.00 0.00 175.22 173.99 2by1 s LEU 211 N -1.92 1.98 -0.12 -0.37 2.96 -0.63 -0.50 118.68 120.09 2by1 s LEU 211 Ca 0.11 -0.44 -0.30 0.00 -0.22 0.00 0.00 54.13 53.29 2by1 s LEU 211 Cb -0.10 -1.18 -0.02 0.00 0.50 0.00 0.00 46.19 45.39 2by1 s LEU 211 CO 0.05 0.18 1.15 -0.62 -1.32 0.00 0.00 176.35 175.79 2by1 s ASP 212 N 0.07 7.07 0.09 3.68 -1.08 -0.11 -0.34 116.67 126.05 2by1 s ASP 212 Ca -0.07 1.67 0.08 0.00 -0.52 0.00 0.00 52.55 53.71 2by1 s ASP 212 Cb -0.14 -2.55 -0.03 0.00 -1.46 0.00 0.00 42.92 38.74 2by1 s ASP 212 CO 0.04 -0.61 -0.21 0.68 0.52 0.00 0.00 175.17 175.59 2by1 s VAL 213 N 2.62 1.70 -0.53 1.11 -7.23 -0.35 -3.92 120.40 113.81 2by1 s VAL 213 Ca 0.52 -1.49 0.04 0.00 -1.81 0.00 0.00 61.98 59.24 2by1 s VAL 213 Cb -0.21 -1.54 0.14 0.00 0.56 0.00 0.00 36.38 35.32 2by1 s VAL 213 CO 0.17 -0.02 0.29 -0.69 -0.31 0.00 0.00 175.10 174.54 2by1 s VAL 214 N -1.11 2.42 -1.07 1.32 1.01 -1.26 -0.93 120.40 120.78 2by1 s VAL 214 Ca 0.07 -3.33 0.18 0.00 0.00 0.00 0.00 61.98 58.89 2by1 s VAL 214 Cb -0.10 -2.67 0.74 0.00 0.00 0.00 0.00 36.38 34.36 2by1 s VAL 214 CO 0.04 -0.85 1.66 -1.22 0.00 0.00 0.00 175.10 174.73 2by1 n TYR 215 N 3.01 1.57 0.21 5.22 4.01 -1.26 -4.29 117.16 125.63 2by1 n TYR 215 Ca 0.08 -0.62 0.07 0.00 -0.16 0.00 0.00 57.90 57.27 2by1 n TYR 215 Cb 0.33 -0.27 -0.10 0.00 -0.31 0.00 0.00 39.34 38.98 2by1 n TYR 215 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2by1 n ASN 216 N 1.12 1.31 -3.43 7.72 0.23 -1.26 -4.99 115.26 115.96 2by1 n ASN 216 Ca 0.26 -0.26 -0.13 0.00 -0.53 0.00 0.00 54.58 53.93 2by1 n ASN 216 Cb 0.93 1.47 -0.02 0.00 -2.08 0.00 0.00 39.78 40.07 2by1 n ASN 216 CO 0.00 0.00 0.00 -1.38 -0.93 0.00 0.00 177.26 174.95 2by1 s HIS 217 N -2.82 -0.55 0.10 -2.53 -3.43 -1.26 -4.61 115.29 100.18 2by1 s HIS 217 Ca -0.02 0.40 0.03 0.00 -0.80 0.00 0.00 55.06 54.67 2by1 s HIS 217 Cb 0.10 0.54 -0.04 0.00 -1.43 0.00 0.00 32.58 31.75 2by1 s HIS 217 CO 0.61 -0.83 0.11 -0.06 -2.00 0.00 0.00 174.74 172.57 2by1 s PHE 218 N -3.51 3.21 1.00 0.38 0.08 -1.26 -4.92 117.98 112.96 2by1 s PHE 218 Ca -0.00 0.07 -0.12 0.00 0.12 0.00 0.00 56.93 57.00 2by1 s PHE 218 Cb -0.01 -1.61 0.19 0.00 -0.57 0.00 0.00 43.02 41.02 2by1 s PHE 218 CO -0.11 0.53 1.09 0.20 -0.10 0.00 0.00 175.22 176.82 2by1 s GLY 219 N -2.56 1.58 0.47 4.36 0.00 0.39 -4.65 107.32 106.91 2by1 s GLY 219 Ca 0.30 -0.26 0.29 0.00 0.00 0.00 0.00 44.72 45.05 2by1 s GLY 219 CO 0.23 0.34 1.82 -0.56 0.00 0.00 0.00 173.10 174.93 2by1 h PRO 220 N -1.92 0.00 -4.63 2.90 0.13 -1.88 -3.41 132.00 123.19 2by1 h PRO 220 Ca -0.54 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.03 2by1 h PRO 220 Cb 1.32 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 32.10 2by1 h PRO 220 CO 0.56 0.00 -0.83 0.45 -0.23 0.00 0.00 178.00 177.95 2by1 s SER 221 N -5.68 2.23 0.00 1.44 0.15 -1.26 -4.78 113.70 105.80 2by1 s SER 221 Ca 0.04 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.31 2by1 s SER 221 Cb 0.08 -0.99 0.00 0.00 -1.71 0.00 0.00 66.02 63.40 2by1 s SER 221 CO 0.58 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.63 2by1 n GLY 222 N 4.17 0.71 3.42 9.45 0.00 -1.26 -4.34 105.19 117.34 2by1 n GLY 222 Ca -0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.39 2by1 n GLY 222 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2by1 s ASN 223 N -2.55 6.20 0.00 1.61 2.47 -1.26 -4.58 114.94 116.82 2by1 s ASN 223 Ca 0.00 -1.10 0.22 0.00 0.42 0.00 0.00 52.86 52.41 2by1 s ASN 223 Cb 0.00 -2.26 0.63 0.00 -1.45 0.00 0.00 41.25 38.17 2by1 s ASN 223 CO 0.00 -0.84 1.53 -1.22 -3.72 0.00 0.00 177.10 172.85 2by1 n TYR 224 N 5.89 0.94 -0.26 0.43 4.01 -1.26 -4.60 117.16 122.32 2by1 n TYR 224 Ca -0.09 -0.47 0.02 0.00 -0.16 0.00 0.00 57.90 57.20 2by1 n TYR 224 Cb 0.44 0.00 0.24 0.00 -0.31 0.00 0.00 39.34 39.71 2by1 n TYR 224 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2by1 h LEU 225 N 4.23 0.89 -2.02 7.72 3.38 -1.93 0.05 115.31 127.62 2by1 h LEU 225 Ca 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2by1 h LEU 225 Cb 0.97 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 2by1 h LEU 225 CO 0.00 0.62 -0.04 0.28 0.09 0.00 0.00 178.44 179.39 2by1 h SER 226 N 1.04 0.00 0.31 -0.43 0.02 -1.81 -0.49 113.55 112.19 2by1 h SER 226 Ca 0.32 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.23 2by1 h SER 226 Cb -0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2by1 h SER 226 CO -0.09 0.04 -0.18 0.28 -1.14 0.00 0.00 176.83 175.74 2by1 h SER 227 N 0.00 0.00 0.02 3.07 0.02 -1.32 -3.13 113.55 112.21 2by1 h SER 227 Ca -0.00 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.70 2by1 h SER 227 Cb 0.09 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 2by1 h SER 227 CO 0.01 0.18 -1.34 1.88 -1.14 0.00 0.00 176.83 176.42 2by1 h TYR 228 N 0.00 0.08 -2.00 3.45 0.05 -1.28 -3.46 116.97 113.82 2by1 h TYR 228 Ca -0.00 -0.06 -0.10 0.00 0.05 0.00 0.00 58.73 58.62 2by1 h TYR 228 Cb 0.39 -0.00 -0.28 0.00 1.01 0.00 0.00 36.73 37.85 2by1 h TYR 228 CO 0.00 1.53 -0.41 0.00 -1.05 0.00 0.00 178.16 178.23 2by1 s ALA 229 N -2.39 -1.27 0.49 3.88 0.00 -0.30 -1.62 121.76 120.54 2by1 s ALA 229 Ca -0.27 1.26 0.22 0.00 0.00 0.00 0.00 51.96 53.16 2by1 s ALA 229 Cb 0.06 -1.62 1.27 0.00 0.00 0.00 0.00 23.12 22.83 2by1 s ALA 229 CO 0.63 -1.09 1.95 -1.35 0.00 0.00 0.00 175.76 175.90 2by1 h PRO 230 N 8.15 0.16 0.00 0.00 0.11 -1.79 -2.44 132.00 136.19 2by1 h PRO 230 Ca -0.19 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.91 2by1 h PRO 230 Cb 1.14 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2by1 h PRO 230 CO 0.22 0.11 0.00 -1.13 -0.21 0.00 0.00 178.00 176.98 2by1 n SER 231 N -4.41 0.00 0.28 -2.05 3.41 -1.26 -1.71 113.62 107.88 2by1 n SER 231 Ca 0.13 -0.46 0.13 0.00 -0.26 0.00 0.00 58.87 58.40 2by1 n SER 231 Cb 0.62 0.00 0.81 0.00 -0.26 0.00 0.00 64.21 65.38 2by1 n SER 231 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 2by1 h TYR 232 N 0.00 0.00 -2.18 7.33 0.05 -1.77 -3.45 116.97 116.94 2by1 h TYR 232 Ca 0.00 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 58.19 2by1 h TYR 232 Cb 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 37.60 2by1 h TYR 232 CO 0.00 0.00 -0.71 -0.06 -1.05 0.00 0.00 178.16 176.34 2by1 s PHE 233 N -4.79 2.26 0.05 4.88 0.08 -0.69 -1.01 117.98 118.75 2by1 s PHE 233 Ca -0.05 -0.46 0.04 0.00 0.12 0.00 0.00 56.93 56.58 2by1 s PHE 233 Cb 0.16 -1.16 -0.02 0.00 -0.57 0.00 0.00 43.02 41.42 2by1 s PHE 233 CO 0.59 0.59 -0.11 -0.08 -0.10 0.00 0.00 175.22 176.11 2by1 s THR 234 N -2.64 0.85 -2.38 0.64 -1.32 0.26 -4.72 115.64 106.33 2by1 s THR 234 Ca 0.31 -1.07 0.29 0.00 -1.21 0.00 0.00 61.69 60.00 2by1 s THR 234 Cb -0.00 -0.83 0.64 0.00 -1.51 0.00 0.00 72.50 70.79 2by1 s THR 234 CO 0.15 -0.21 1.86 -0.90 -2.21 0.00 0.00 174.62 173.31 2by1 n ASP 235 N 1.61 1.14 0.25 8.08 5.68 -1.26 -2.41 116.55 129.64 2by1 n ASP 235 Ca -0.20 -1.38 0.09 0.00 -0.50 0.00 0.00 54.79 52.80 2by1 n ASP 235 Cb 0.55 -0.00 0.64 0.00 -1.14 0.00 0.00 41.12 41.16 2by1 n ASP 235 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 2by1 h ARG 236 N 1.79 0.00 -3.23 0.11 2.43 -1.95 -3.44 114.38 110.09 2by1 h ARG 236 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2by1 h ARG 236 Cb 0.38 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 29.80 2by1 h ARG 236 CO 0.00 0.13 0.03 -0.59 -1.51 0.00 0.00 179.97 178.03 2by1 s PHE 237 N -4.50 -0.33 0.33 2.20 -0.12 -1.26 -5.12 117.98 109.18 2by1 s PHE 237 Ca -0.04 0.07 0.09 0.00 -0.05 0.00 0.00 56.93 57.00 2by1 s PHE 237 Cb 0.15 0.37 -0.05 0.00 -0.63 0.00 0.00 43.02 42.85 2by1 s PHE 237 CO 0.64 -0.75 0.01 -1.12 -0.05 0.00 0.00 175.22 173.95 2by1 s SER 238 N -2.74 4.23 0.06 1.98 0.01 -1.26 -1.73 113.70 114.25 2by1 s SER 238 Ca 0.02 -0.93 0.01 0.00 1.31 0.00 0.00 55.95 56.35 2by1 s SER 238 Cb 0.01 -0.57 0.01 0.00 0.21 0.00 0.00 66.02 65.67 2by1 s SER 238 CO -0.12 -0.20 0.06 -1.20 0.41 0.00 0.00 173.24 172.19 2by1 n SER 239 N -0.94 0.81 0.09 2.44 7.64 0.12 -4.58 113.62 119.19 2by1 n SER 239 Ca -0.04 -1.19 0.01 0.00 1.01 0.00 0.00 58.87 58.66 2by1 n SER 239 Cb 0.62 -0.02 0.33 0.00 -1.01 0.00 0.00 64.21 64.13 2by1 n SER 239 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2by1 h ALA 240 N 0.63 1.39 0.00 -0.43 0.00 -1.94 -3.31 119.26 115.60 2by1 h ALA 240 Ca -0.03 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2by1 h ALA 240 Cb 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2by1 h ALA 240 CO 0.05 0.42 -1.59 0.91 0.00 0.00 0.00 179.25 179.04 2by1 n TRP 241 N -4.22 0.00 0.00 0.00 5.03 -1.26 -5.11 117.44 111.88 2by1 n TRP 241 Ca -0.00 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.53 2by1 n TRP 241 Cb 0.31 -0.33 0.00 0.00 -1.03 0.00 0.00 31.31 30.26 2by1 n TRP 241 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2by1 n GLY 242 N 1.92 -2.23 3.75 6.99 0.00 -1.25 -4.84 105.19 109.54 2by1 n GLY 242 Ca -0.06 0.71 -0.25 0.00 0.00 0.00 0.00 46.02 46.42 2by1 n GLY 242 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2by1 s GLY 244 N -0.32 1.67 -0.12 -0.02 0.00 -0.70 -0.70 107.32 107.12 2by1 s GLY 244 Ca 0.00 -1.32 -0.29 0.00 0.00 0.00 0.00 44.72 43.11 2by1 s GLY 244 CO 0.00 -1.34 1.00 1.08 0.00 0.00 0.00 173.10 173.84 2by1 s LEU 245 N -3.20 4.23 -0.73 0.66 1.02 -1.26 -0.57 118.68 118.83 2by1 s LEU 245 Ca 0.30 1.50 -0.19 0.00 0.02 0.00 0.00 54.13 55.76 2by1 s LEU 245 Cb -0.09 -3.54 0.12 0.00 0.02 0.00 0.00 46.19 42.70 2by1 s LEU 245 CO 0.22 -0.47 0.89 -0.62 0.02 0.00 0.00 176.35 176.39 2by1 s ASP 246 N 1.11 6.37 0.00 2.29 -1.08 -0.18 -4.79 116.67 120.39 2by1 s ASP 246 Ca 0.47 -1.65 0.24 0.00 -0.52 0.00 0.00 52.55 51.10 2by1 s ASP 246 Cb -0.18 -2.35 1.39 0.00 -1.46 0.00 0.00 42.92 40.33 2by1 s ASP 246 CO 0.16 -1.12 1.79 -1.22 0.52 0.00 0.00 175.17 175.31 2by1 n TYR 247 N 6.46 0.00 0.43 -5.34 4.01 -1.26 -1.28 117.16 120.18 2by1 n TYR 247 Ca 0.04 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.91 2by1 n TYR 247 Cb 0.45 -0.04 0.41 0.00 -0.31 0.00 0.00 39.34 39.85 2by1 n TYR 247 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2by1 h ALA 248 N 3.44 1.00 -2.30 -0.72 0.00 -1.89 -3.43 119.26 115.35 2by1 h ALA 248 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 2by1 h ALA 248 Cb 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.67 2by1 h ALA 248 CO 0.00 0.00 0.03 -2.00 0.00 0.00 0.00 179.25 177.28 2by1 s GLU 249 N -3.26 3.40 0.43 0.00 2.56 -0.40 -4.97 118.70 116.45 2by1 s GLU 249 Ca 0.07 -0.32 0.19 0.00 0.00 0.00 0.00 54.97 54.91 2by1 s GLU 249 Cb 0.09 -3.90 1.13 0.00 2.00 0.00 0.00 34.13 33.45 2by1 s GLU 249 CO 0.56 -0.85 1.85 -1.35 -0.56 0.00 0.00 175.26 174.91 2by1 h PRO 250 N 8.69 0.35 -1.50 4.30 0.11 -1.86 -1.64 132.00 140.45 2by1 h PRO 250 Ca -0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2by1 h PRO 250 Cb 1.11 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2by1 h PRO 250 CO 0.84 0.23 0.00 0.72 -0.21 0.00 0.00 178.00 179.58 2by1 n HIS 251 N -4.49 0.00 0.00 0.65 8.25 -1.26 -0.46 115.22 117.91 2by1 n HIS 251 Ca 0.19 -0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2by1 n HIS 251 Cb 0.73 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.70 2by1 n HIS 251 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2by1 n ARG 253 N 0.77 0.00 0.25 -0.41 1.74 -0.62 -1.26 116.66 117.12 2by1 n ARG 253 Ca 0.00 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.21 2by1 n ARG 253 Cb 0.17 0.00 0.59 0.00 -1.02 0.00 0.00 32.46 32.20 2by1 n ARG 253 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2by1 h ARG 254 N 0.00 0.00 -0.45 5.56 3.08 -1.04 -0.80 114.38 120.73 2by1 h ARG 254 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2by1 h ARG 254 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2by1 h ARG 254 CO 0.00 0.15 0.28 -0.92 -1.07 0.00 0.00 179.97 178.41 2by1 h TYR 255 N 0.00 0.58 0.08 3.04 3.20 -1.42 0.38 116.97 122.83 2by1 h TYR 255 Ca -0.00 0.00 -0.28 0.00 3.14 0.00 0.00 58.73 61.59 2by1 h TYR 255 Cb 0.59 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 2by1 h TYR 255 CO 0.00 0.40 -1.42 -0.39 -1.64 0.00 0.00 178.16 175.10 2by1 h VAL 256 N 0.60 1.26 -0.16 1.81 -1.51 -1.73 -2.48 116.25 114.03 2by1 h VAL 256 Ca 0.16 -2.93 -0.13 0.00 -1.23 0.00 0.00 66.70 62.57 2by1 h VAL 256 Cb -0.02 2.76 -0.01 0.00 -2.13 0.00 0.00 31.29 31.88 2by1 h VAL 256 CO -0.03 0.82 -0.47 0.71 -1.23 0.00 0.00 177.57 177.37 2by1 h THR 257 N 0.05 1.32 -0.45 7.19 1.35 -1.13 -0.52 112.91 120.72 2by1 h THR 257 Ca -0.19 -1.67 -0.06 0.00 -0.55 0.00 0.00 66.41 63.94 2by1 h THR 257 Cb 1.96 1.71 -0.02 0.00 -1.73 0.00 0.00 68.15 70.08 2by1 h THR 257 CO 0.15 0.51 0.05 1.23 -0.25 0.00 0.00 175.52 177.21 2by1 h GLY 258 N 1.19 0.76 0.75 5.82 0.00 -1.00 -1.74 103.07 108.84 2by1 h GLY 258 Ca 0.02 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 2by1 h GLY 258 CO 0.08 0.43 -0.06 -0.57 0.00 0.00 0.00 176.54 176.42 2by1 h ASN 259 N 0.67 0.31 -0.45 0.19 -0.73 -0.94 -3.09 115.58 111.55 2by1 h ASN 259 Ca 0.14 -0.40 0.06 0.00 1.87 0.00 0.00 56.30 57.97 2by1 h ASN 259 Cb 0.35 -0.09 -0.05 0.00 0.27 0.00 0.00 38.32 38.80 2by1 h ASN 259 CO 0.01 0.64 0.16 0.00 -0.37 0.00 0.00 177.43 177.87 2by1 h ALA 260 N 0.68 0.54 0.00 1.57 0.00 -0.99 -1.83 119.26 119.23 2by1 h ALA 260 Ca 0.04 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2by1 h ALA 260 Cb 0.52 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2by1 h ALA 260 CO 0.02 -0.24 0.00 0.54 0.00 0.00 0.00 179.25 179.57 2by1 n ARG 261 N -5.01 0.06 0.00 0.00 1.74 -0.67 -2.10 116.66 110.68 2by1 n ARG 261 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 2by1 n ARG 261 Cb 0.17 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 2by1 n ARG 261 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 2by1 n TRP 263 N 1.21 0.00 0.04 -1.55 5.03 -0.69 -0.61 117.44 120.87 2by1 n TRP 263 Ca 0.00 0.00 -0.11 0.00 3.03 0.00 0.00 57.50 60.42 2by1 n TRP 263 Cb 0.03 0.00 -0.08 0.00 -1.03 0.00 0.00 31.31 30.23 2by1 n TRP 263 CO 0.00 0.00 0.00 -0.07 -0.03 0.00 0.00 177.69 177.59 2by1 h LEU 264 N 0.00 -0.16 -0.00 -0.99 3.38 -1.67 -2.29 115.31 113.58 2by1 h LEU 264 Ca 0.00 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 2by1 h LEU 264 Cb 0.00 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2by1 h LEU 264 CO 0.00 0.40 -0.05 -0.09 0.09 0.00 0.00 178.44 178.79 2by1 h ARG 265 N -0.81 0.04 0.01 1.13 2.43 -1.11 -1.84 114.38 114.23 2by1 h ARG 265 Ca -0.02 -0.04 -0.26 0.00 -0.81 0.00 0.00 59.98 58.85 2by1 h ARG 265 Cb 0.54 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.06 2by1 h ARG 265 CO 0.03 0.78 -1.44 -0.44 -1.51 0.00 0.00 179.97 177.39 2by1 h ASP 266 N -0.69 0.05 -0.02 -3.80 3.32 -1.74 -3.32 116.42 110.20 2by1 h ASP 266 Ca -0.01 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2by1 h ASP 266 Cb 0.80 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.33 2by1 h ASP 266 CO 0.01 1.06 -0.02 -1.22 -1.72 0.00 0.00 179.24 177.35 2by1 n TYR 267 N -3.20 0.00 -1.72 4.55 4.01 -1.12 -5.00 117.16 114.67 2by1 n TYR 267 Ca -0.11 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.47 2by1 n TYR 267 Cb 1.01 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.99 2by1 n TYR 267 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2by1 n HIS 268 N 1.02 -0.23 -1.77 -0.72 8.25 -0.69 -4.88 115.22 116.19 2by1 n HIS 268 Ca 0.11 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.20 2by1 n HIS 268 Cb 0.47 -2.93 0.06 0.00 1.12 0.00 0.00 29.99 28.72 2by1 n HIS 268 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2by1 s PHE 269 N -2.65 2.12 -0.82 4.41 0.08 -0.89 -4.90 117.98 115.33 2by1 s PHE 269 Ca 0.00 1.47 0.25 0.00 0.12 0.00 0.00 56.93 58.77 2by1 s PHE 269 Cb 0.00 -3.70 0.46 0.00 -0.57 0.00 0.00 43.02 39.21 2by1 s PHE 269 CO 0.00 -2.89 1.39 -0.25 -0.10 0.00 0.00 175.22 173.37 2by1 n ASP 270 N -1.77 0.57 -3.65 1.36 8.00 0.72 -4.59 116.55 117.19 2by1 n ASP 270 Ca 0.15 -0.03 0.04 0.00 0.71 0.00 0.00 54.79 55.66 2by1 n ASP 270 Cb 0.48 0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 2by1 n ASP 270 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2by1 s GLY 271 N -3.33 -0.44 0.02 0.44 0.00 -1.24 -1.45 107.32 101.32 2by1 s GLY 271 Ca 0.09 0.79 0.05 0.00 0.00 0.00 0.00 44.72 45.65 2by1 s GLY 271 CO 0.70 1.53 -0.15 1.08 0.00 0.00 0.00 173.10 176.26 2by1 s LEU 272 N -3.19 2.12 -0.32 0.66 1.43 -0.57 -1.60 118.68 117.20 2by1 s LEU 272 Ca 0.18 -0.39 -0.08 0.00 -1.03 0.00 0.00 54.13 52.82 2by1 s LEU 272 Cb 0.06 -0.69 0.01 0.00 0.03 0.00 0.00 46.19 45.60 2by1 s LEU 272 CO -0.06 0.10 0.12 -0.60 0.23 0.00 0.00 176.35 176.14 2by1 s ARG 273 N -0.84 3.05 -0.40 1.70 3.00 0.54 -0.86 118.95 125.13 2by1 s ARG 273 Ca 0.04 -0.90 -0.28 0.00 -1.00 0.00 0.00 55.73 53.59 2by1 s ARG 273 Cb -0.07 -3.48 0.02 0.00 0.00 0.00 0.00 34.95 31.42 2by1 s ARG 273 CO 0.01 -0.50 1.04 -0.51 0.00 0.00 0.00 175.30 175.33 2by1 s LEU 274 N 1.52 3.86 0.30 -0.88 1.43 0.71 -1.21 118.68 124.41 2by1 s LEU 274 Ca 0.02 0.63 -0.29 0.00 -1.03 0.00 0.00 54.13 53.47 2by1 s LEU 274 Cb -0.18 -3.43 -0.10 0.00 0.03 0.00 0.00 46.19 42.50 2by1 s LEU 274 CO 0.04 -1.02 1.43 -0.62 0.23 0.00 0.00 176.35 176.41 2by1 s ASP 275 N 2.05 6.59 -1.34 2.29 2.15 -0.11 -1.04 116.67 127.25 2by1 s ASP 275 Ca 0.43 2.79 -0.06 0.00 0.43 0.00 0.00 52.55 56.14 2by1 s ASP 275 Cb -0.10 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 39.88 2by1 s ASP 275 CO 0.23 -0.71 0.51 0.00 -0.17 0.00 0.00 175.17 175.02 2by1 n ALA 276 N 1.47 -2.15 0.26 3.66 0.00 -1.14 -4.53 120.51 118.08 2by1 n ALA 276 Ca 0.04 -0.28 0.15 0.00 0.00 0.00 0.00 53.44 53.35 2by1 n ALA 276 Cb 0.40 -2.08 0.86 0.00 0.00 0.00 0.00 19.45 18.63 2by1 n ALA 276 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2by1 h THR 277 N -1.89 0.55 0.00 0.00 1.35 -1.51 -1.66 112.91 109.76 2by1 h THR 277 Ca -0.64 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 2by1 h THR 277 Cb 1.37 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 2by1 h THR 277 CO 0.59 0.00 0.00 -0.65 -0.25 0.00 0.00 175.52 175.21 2by1 h PRO 278 N 0.00 0.00 -3.77 4.72 0.11 -1.89 -3.44 132.00 127.73 2by1 h PRO 278 Ca 0.03 0.00 -0.77 0.00 0.11 0.00 0.00 66.00 65.37 2by1 h PRO 278 Cb 0.19 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 31.02 2by1 h PRO 278 CO -0.00 0.00 0.04 0.71 -0.21 0.00 0.00 178.00 178.54 2by1 s TYR 279 N -3.96 3.74 -0.30 0.65 2.02 -0.62 -5.05 117.35 113.83 2by1 s TYR 279 Ca -0.04 -2.16 -0.17 0.00 -0.37 0.00 0.00 57.07 54.33 2by1 s TYR 279 Cb 0.11 -3.72 0.22 0.00 -0.40 0.00 0.00 41.96 38.17 2by1 s TYR 279 CO 0.36 -0.96 1.31 0.99 -1.57 0.00 0.00 175.55 175.67 2by1 s THR 281 N 0.02 0.00 -0.29 -0.71 2.01 -1.26 -4.79 115.64 110.61 2by1 s THR 281 Ca 0.19 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 62.07 2by1 s THR 281 Cb -0.12 -1.00 0.12 0.00 0.01 0.00 0.00 72.50 71.51 2by1 s THR 281 CO -0.08 0.00 0.66 -0.62 -0.69 0.00 0.00 174.62 173.89 2by1 s ASP 282 N 0.93 -1.10 0.00 3.53 2.15 -1.26 -4.41 116.67 116.51 2by1 s ASP 282 Ca -0.07 1.56 0.23 0.00 0.43 0.00 0.00 52.55 54.71 2by1 s ASP 282 Cb -0.02 2.06 0.52 0.00 -0.30 0.00 0.00 42.92 45.18 2by1 s ASP 282 CO -0.10 -0.23 1.46 0.47 -0.17 0.00 0.00 175.17 176.61 2by1 n ASP 283 N 5.15 3.64 -4.67 -0.34 8.00 -1.26 -4.89 116.55 122.18 2by1 n ASP 283 Ca -0.14 -2.00 -0.35 0.00 0.71 0.00 0.00 54.79 53.01 2by1 n ASP 283 Cb 0.52 -0.34 0.10 0.00 -0.02 0.00 0.00 41.12 41.37 2by1 n ASP 283 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2by1 n SER 284 N 1.55 1.12 -0.13 -2.24 7.64 -1.26 -4.93 113.62 115.38 2by1 n SER 284 Ca 0.21 0.68 -0.05 0.00 1.01 0.00 0.00 58.87 60.73 2by1 n SER 284 Cb 0.61 -1.48 0.04 0.00 -1.01 0.00 0.00 64.21 62.36 2by1 n SER 284 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2by1 h GLU 285 N -0.27 0.24 -4.96 1.43 4.81 -2.01 -3.32 114.58 110.51 2by1 h GLU 285 Ca -0.48 -0.01 -0.66 0.00 -0.13 0.00 0.00 59.36 58.08 2by1 h GLU 285 Cb 1.32 -0.05 -0.17 0.00 0.63 0.00 0.00 28.75 30.48 2by1 h GLU 285 CO 0.48 0.16 -0.29 0.99 -0.73 0.00 0.00 179.01 179.62 2by1 s THR 286 N -6.15 5.17 0.58 0.32 2.01 -1.26 -5.05 115.64 111.26 2by1 s THR 286 Ca -0.13 0.07 -0.19 0.00 0.31 0.00 0.00 61.69 61.76 2by1 s THR 286 Cb 0.13 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 2by1 s THR 286 CO 0.72 -0.07 1.16 -2.28 -0.69 0.00 0.00 174.62 173.46 2by1 s HIS 287 N 2.01 2.54 0.46 4.92 2.46 -1.25 -4.81 115.29 121.62 2by1 s HIS 287 Ca 0.12 1.53 0.14 0.00 0.47 0.00 0.00 55.06 57.33 2by1 s HIS 287 Cb -0.16 -3.36 1.10 0.00 -0.13 0.00 0.00 32.58 30.02 2by1 s HIS 287 CO 0.12 -1.87 2.04 0.97 -2.47 0.00 0.00 174.74 173.53 2by1 h ILE 288 N 0.93 0.94 -0.69 0.89 6.09 -1.91 -0.63 117.51 123.14 2by1 h ILE 288 Ca -0.50 -0.10 -0.06 0.00 -1.37 0.00 0.00 64.86 62.84 2by1 h ILE 288 Cb 1.28 0.63 -0.03 0.00 0.47 0.00 0.00 36.82 39.17 2by1 h ILE 288 CO 0.56 0.05 0.21 -0.07 -3.07 0.00 0.00 178.15 175.83 2by1 h LEU 289 N 0.29 1.00 -0.58 2.19 3.38 -1.94 0.81 115.31 120.46 2by1 h LEU 289 Ca 0.18 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2by1 h LEU 289 Cb 0.35 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2by1 h LEU 289 CO -0.04 0.95 0.21 0.74 0.09 0.00 0.00 178.44 180.39 2by1 h THR 290 N 1.01 1.23 -0.65 0.22 2.02 -1.34 -2.04 112.91 113.37 2by1 h THR 290 Ca 0.22 -0.76 -0.08 0.00 0.77 0.00 0.00 66.41 66.56 2by1 h THR 290 Cb 0.30 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 2by1 h THR 290 CO -0.01 0.29 0.10 -0.08 0.37 0.00 0.00 175.52 176.20 2by1 h GLU 291 N 0.81 1.06 -0.23 6.66 4.81 -0.91 -0.04 114.58 126.73 2by1 h GLU 291 Ca 0.19 -0.28 0.03 0.00 -0.13 0.00 0.00 59.36 59.17 2by1 h GLU 291 Cb 0.25 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 2by1 h GLU 291 CO -0.01 0.98 0.05 -0.07 -0.73 0.00 0.00 179.01 179.22 2by1 h LEU 292 N 1.00 0.02 -0.55 1.64 3.38 -0.67 0.31 115.31 120.43 2by1 h LEU 292 Ca 0.20 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.23 2by1 h LEU 292 Cb 0.43 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 2by1 h LEU 292 CO 0.01 0.04 0.32 0.00 0.09 0.00 0.00 178.44 178.90 2by1 h ALA 293 N 1.16 0.70 -0.35 1.53 0.00 -0.93 -0.18 119.26 121.20 2by1 h ALA 293 Ca 0.10 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.06 2by1 h ALA 293 Cb 0.10 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 2by1 h ALA 293 CO -0.13 0.02 0.05 1.96 0.00 0.00 0.00 179.25 181.15 2by1 h GLN 294 N 0.62 0.16 -0.14 0.00 4.20 -0.67 0.26 115.11 119.55 2by1 h GLN 294 Ca 0.23 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.84 2by1 h GLN 294 Cb 0.05 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 2by1 h GLN 294 CO -0.11 0.11 -0.31 0.93 -0.67 0.00 0.00 178.83 178.77 2by1 h GLU 295 N 0.17 0.26 -0.01 1.46 4.39 -0.52 -0.66 114.58 119.67 2by1 h GLU 295 Ca 0.17 -0.10 -0.15 0.00 0.34 0.00 0.00 59.36 59.62 2by1 h GLU 295 Cb 0.20 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2by1 h GLU 295 CO -0.24 0.55 -0.57 0.82 -1.16 0.00 0.00 179.01 178.41 2by1 h ILE 296 N 0.23 1.43 -0.78 3.13 2.04 -0.75 -3.19 117.51 119.63 2by1 h ILE 296 Ca 0.03 -2.06 0.16 0.00 1.00 0.00 0.00 64.86 63.99 2by1 h ILE 296 Cb 0.67 2.59 -0.05 0.00 -0.74 0.00 0.00 36.82 39.28 2by1 h ILE 296 CO 0.05 0.60 0.52 0.45 0.00 0.00 0.00 178.15 179.77 2by1 h HIS 297 N -0.12 0.49 0.00 1.37 3.86 -0.18 -2.63 115.15 117.94 2by1 h HIS 297 Ca -0.07 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.13 2by1 h HIS 297 Cb 1.29 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 29.60 2by1 h HIS 297 CO 0.15 0.18 -0.13 1.49 0.86 0.00 0.00 177.93 180.47 2by1 h GLU 298 N 0.41 0.00 0.00 2.45 4.22 -1.11 -1.92 114.58 118.63 2by1 h GLU 298 Ca 0.38 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.82 2by1 h GLU 298 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2by1 h GLU 298 CO -0.13 0.13 0.00 1.28 -2.18 0.00 0.00 179.01 178.11 2by1 n LEU 299 N -3.54 0.49 -1.90 1.64 4.77 -0.99 -4.88 117.00 112.59 2by1 n LEU 299 Ca -0.01 0.69 -0.14 0.00 -0.03 0.00 0.00 56.01 56.52 2by1 n LEU 299 Cb 0.27 -0.71 0.02 0.00 -2.33 0.00 0.00 43.42 40.67 2by1 n LEU 299 CO 0.30 -0.76 -0.02 0.61 -1.33 0.00 0.00 177.39 176.19 2by1 n GLY 300 N -0.94 -0.07 0.00 -0.72 0.00 -0.72 -5.03 105.19 97.71 2by1 n GLY 300 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2by1 n GLY 300 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2by1 n GLY 301 N -1.20 4.84 0.65 -0.02 0.00 -1.26 -5.06 105.19 103.14 2by1 n GLY 301 Ca -0.08 -1.87 0.06 0.00 0.00 0.00 0.00 46.02 44.13 2by1 n GLY 301 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2by1 n THR 302 N 0.00 1.70 -2.10 2.61 -2.24 -1.26 -5.04 114.28 107.95 2by1 n THR 302 Ca 0.00 -2.58 -0.36 0.00 -2.27 0.00 0.00 64.05 58.84 2by1 n THR 302 Cb 0.00 -0.01 0.02 0.00 -2.10 0.00 0.00 70.33 68.24 2by1 n THR 302 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2by1 s HIS 303 N -2.51 2.57 0.20 4.78 4.02 -1.26 -4.70 115.29 118.38 2by1 s HIS 303 Ca 0.35 1.51 0.07 0.00 1.02 0.00 0.00 55.06 58.01 2by1 s HIS 303 Cb 0.34 -3.45 -0.04 0.00 -1.02 0.00 0.00 32.58 28.41 2by1 s HIS 303 CO -0.07 -1.97 0.04 -0.51 1.02 0.00 0.00 174.74 173.25 2by1 s LEU 304 N -3.66 3.42 -0.09 0.89 1.43 -0.53 -4.96 118.68 115.19 2by1 s LEU 304 Ca 0.72 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.46 2by1 s LEU 304 Cb -0.30 -2.04 0.01 0.00 0.03 0.00 0.00 46.19 43.90 2by1 s LEU 304 CO 0.34 0.06 -0.14 -0.76 0.23 0.00 0.00 176.35 176.08 2by1 s LEU 305 N -3.18 1.66 -0.06 1.79 1.43 -1.26 -1.51 118.68 117.55 2by1 s LEU 305 Ca 0.29 -0.36 0.05 0.00 -1.03 0.00 0.00 54.13 53.08 2by1 s LEU 305 Cb -0.09 -0.96 -0.00 0.00 0.03 0.00 0.00 46.19 45.17 2by1 s LEU 305 CO 0.20 0.02 -0.21 -0.76 0.23 0.00 0.00 176.35 175.83 2by1 s LEU 306 N 0.84 1.99 -0.15 1.79 2.01 -0.04 -0.41 118.68 124.71 2by1 s LEU 306 Ca -0.10 -0.46 -0.10 0.00 0.01 0.00 0.00 54.13 53.48 2by1 s LEU 306 Cb -0.15 -1.21 -0.05 0.00 0.01 0.00 0.00 46.19 44.79 2by1 s LEU 306 CO 0.01 0.18 0.19 0.00 1.01 0.00 0.00 176.35 177.74 2by1 s ALA 307 N 0.10 3.73 -0.71 4.21 0.00 -0.43 -0.21 121.76 128.44 2by1 s ALA 307 Ca -0.08 -0.58 -0.23 0.00 0.00 0.00 0.00 51.96 51.06 2by1 s ALA 307 Cb -0.14 -2.18 0.07 0.00 0.00 0.00 0.00 23.12 20.87 2by1 s ALA 307 CO 0.05 0.31 1.06 -2.00 0.00 0.00 0.00 175.76 175.18 2by1 s GLU 308 N -0.15 3.18 -0.04 0.00 2.12 -0.21 -0.39 118.70 123.22 2by1 s GLU 308 Ca 0.13 -0.80 -0.01 0.00 0.36 0.00 0.00 54.97 54.65 2by1 s GLU 308 Cb -0.12 -4.32 0.03 0.00 0.26 0.00 0.00 34.13 29.98 2by1 s GLU 308 CO 0.02 -1.90 0.07 0.34 -0.54 0.00 0.00 175.26 173.25 2by1 s ASP 309 N 3.74 0.09 0.00 -1.70 -1.08 -1.24 -1.79 116.67 114.69 2by1 s ASP 309 Ca 0.27 0.13 0.25 0.00 -0.52 0.00 0.00 52.55 52.68 2by1 s ASP 309 Cb -0.13 0.01 0.54 0.00 -1.46 0.00 0.00 42.92 41.88 2by1 s ASP 309 CO 0.09 -0.14 1.46 0.00 0.52 0.00 0.00 175.17 177.09 2by1 n HIS 310 N 4.28 0.02 1.03 -5.34 1.44 -1.26 -4.42 115.22 110.98 2by1 n HIS 310 Ca -0.26 -0.01 0.13 0.00 -2.01 0.00 0.00 57.72 55.58 2by1 n HIS 310 Cb 0.50 0.00 0.61 0.00 0.12 0.00 0.00 29.99 31.23 2by1 n HIS 310 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2by1 n ARG 311 N 0.88 0.09 -3.60 -1.40 1.74 -1.26 -4.92 116.66 108.18 2by1 n ARG 311 Ca 0.16 0.02 -0.27 0.00 -0.77 0.00 0.00 57.85 56.99 2by1 n ARG 311 Cb 0.50 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.49 2by1 n ARG 311 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2by1 n ASN 312 N -1.45 -5.16 -4.01 0.55 3.02 -1.26 -3.42 115.26 103.52 2by1 n ASN 312 Ca 0.08 -0.94 -0.31 0.00 -0.03 0.00 0.00 54.58 53.38 2by1 n ASN 312 Cb 0.30 -3.78 -0.15 0.00 -0.61 0.00 0.00 39.78 35.54 2by1 n ASN 312 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2by1 s LEU 313 N -6.29 4.26 0.57 3.41 2.96 -1.26 -1.68 118.68 120.65 2by1 s LEU 313 Ca 0.43 -1.93 0.30 0.00 -0.22 0.00 0.00 54.13 52.71 2by1 s LEU 313 Cb -0.13 -1.55 1.72 0.00 0.50 0.00 0.00 46.19 46.73 2by1 s LEU 313 CO 0.83 -0.33 2.19 1.55 -1.32 0.00 0.00 176.35 179.27 2by1 h PRO 314 N 7.68 0.00 -0.09 0.98 0.13 -1.90 -2.76 132.00 136.06 2by1 h PRO 314 Ca -0.08 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.07 2by1 h PRO 314 Cb 1.03 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 2by1 h PRO 314 CO 0.50 0.05 0.19 -0.44 -0.23 0.00 0.00 178.00 178.07 2by1 h ASP 315 N 0.00 0.00 -0.74 1.44 5.19 -1.95 -0.42 116.42 119.94 2by1 h ASP 315 Ca -0.00 0.00 0.07 0.00 -0.62 0.00 0.00 57.03 56.48 2by1 h ASP 315 Cb 0.14 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.61 2by1 h ASP 315 CO 0.01 0.00 0.49 -0.07 -3.12 0.00 0.00 179.24 176.54 2by1 h LEU 316 N 0.00 0.68 0.05 1.55 3.38 -1.89 0.11 115.31 119.19 2by1 h LEU 316 Ca 0.04 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.74 2by1 h LEU 316 Cb 0.43 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2by1 h LEU 316 CO -0.00 0.44 -1.51 0.58 0.09 0.00 0.00 178.44 178.04 2by1 h VAL 317 N 0.78 0.83 0.00 1.22 2.07 -1.30 -0.97 116.25 118.87 2by1 h VAL 317 Ca 0.32 -2.25 0.00 0.00 0.82 0.00 0.00 66.70 65.60 2by1 h VAL 317 Cb 0.26 2.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 2by1 h VAL 317 CO -0.11 0.53 -0.68 0.71 0.02 0.00 0.00 177.57 178.04 2by1 h THR 318 N -0.61 0.00 0.00 2.57 1.35 -1.25 -2.66 112.91 112.31 2by1 h THR 318 Ca -0.37 -0.94 -0.20 0.00 -0.55 0.00 0.00 66.41 64.35 2by1 h THR 318 Cb 1.57 1.58 -0.03 0.00 -1.73 0.00 0.00 68.15 69.55 2by1 h THR 318 CO -0.10 0.00 -1.68 0.52 -0.25 0.00 0.00 175.52 174.02 2by1 n VAL 319 N -2.72 0.67 0.93 6.82 0.31 0.21 -4.70 118.33 119.84 2by1 n VAL 319 Ca 0.01 -0.18 0.13 0.00 -0.01 0.00 0.00 64.34 64.30 2by1 n VAL 319 Cb 0.53 -1.59 0.50 0.00 -0.91 0.00 0.00 33.84 32.37 2by1 n VAL 319 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2by1 n ASN 320 N -3.47 0.24 -1.54 4.52 4.13 -0.18 -4.93 115.26 114.03 2by1 n ASN 320 Ca -0.24 0.35 -0.14 0.00 1.68 0.00 0.00 54.58 56.23 2by1 n ASN 320 Cb 0.68 -0.36 -0.01 0.00 -1.54 0.00 0.00 39.78 38.54 2by1 n ASN 320 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 2by1 n HIS 321 N -1.63 -0.62 -1.28 3.10 8.25 -1.00 -4.23 115.22 117.80 2by1 n HIS 321 Ca 0.06 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.22 2by1 n HIS 321 Cb 0.36 -2.93 0.12 0.00 1.12 0.00 0.00 29.99 28.66 2by1 n HIS 321 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2by1 s LEU 322 N -3.90 2.41 -0.01 2.41 1.43 -0.38 -4.94 118.68 115.69 2by1 s LEU 322 Ca 0.00 1.49 0.16 0.00 -1.03 0.00 0.00 54.13 54.74 2by1 s LEU 322 Cb 0.00 -3.97 -0.19 0.00 0.03 0.00 0.00 46.19 42.05 2by1 s LEU 322 CO 0.00 -2.44 0.65 0.47 0.23 0.00 0.00 176.35 175.26 2by1 n ASP 323 N -3.76 0.70 -3.67 2.29 8.00 0.45 -4.34 116.55 116.23 2by1 n ASP 323 Ca 0.07 0.32 0.01 0.00 0.71 0.00 0.00 54.79 55.90 2by1 n ASP 323 Cb 0.55 0.29 0.01 0.00 -0.02 0.00 0.00 41.12 41.95 2by1 n ASP 323 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2by1 s GLY 324 N -4.98 -0.13 -0.04 0.44 0.00 -1.22 -4.52 107.32 96.88 2by1 s GLY 324 Ca -0.05 0.07 0.01 0.00 0.00 0.00 0.00 44.72 44.75 2by1 s GLY 324 CO 0.82 3.56 -0.03 -0.42 0.00 0.00 0.00 173.10 177.03 2by1 s ILE 325 N -2.18 0.38 -0.20 0.90 1.01 0.20 -1.31 121.20 120.00 2by1 s ILE 325 Ca 0.24 -0.05 -0.29 0.00 0.00 0.00 0.00 60.65 60.55 2by1 s ILE 325 Cb -0.00 -0.43 -0.02 0.00 0.01 0.00 0.00 42.46 42.02 2by1 s ILE 325 CO 0.00 0.18 1.50 0.26 0.00 0.00 0.00 174.94 176.89 2by1 s TRP 326 N 0.88 2.33 -0.12 3.97 0.52 0.48 -0.95 118.94 126.04 2by1 s TRP 326 Ca -0.11 0.63 0.03 0.00 0.02 0.00 0.00 56.10 56.68 2by1 s TRP 326 Cb -0.14 -3.87 -0.00 0.00 -1.15 0.00 0.00 33.47 28.31 2by1 s TRP 326 CO -0.00 -2.62 -0.21 -0.08 0.02 0.00 0.00 176.95 174.06 2by1 s THR 327 N 4.57 2.28 -0.88 2.01 -1.32 -0.91 -3.65 115.64 117.74 2by1 s THR 327 Ca 0.66 -0.93 0.24 0.00 -1.21 0.00 0.00 61.69 60.45 2by1 s THR 327 Cb -0.24 -1.91 -0.07 0.00 -1.51 0.00 0.00 72.50 68.77 2by1 s THR 327 CO 0.25 0.55 1.21 0.47 -2.21 0.00 0.00 174.62 174.89 2by1 n ASP 328 N 3.71 0.64 -0.33 8.08 8.00 -1.26 -4.40 116.55 130.99 2by1 n ASP 328 Ca -0.19 -0.37 0.05 0.00 0.71 0.00 0.00 54.79 54.99 2by1 n ASP 328 Cb 0.52 0.53 0.21 0.00 -0.02 0.00 0.00 41.12 42.36 2by1 n ASP 328 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2by1 h ASP 329 N 0.00 0.82 -0.01 -2.24 3.32 -1.95 0.11 116.42 116.47 2by1 h ASP 329 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2by1 h ASP 329 Cb 0.57 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 2by1 h ASP 329 CO 0.00 0.45 0.01 0.15 -1.72 0.00 0.00 179.24 178.13 2by1 h PHE 330 N 0.91 0.01 -0.35 4.55 3.57 -1.85 0.30 116.94 124.09 2by1 h PHE 330 Ca 0.45 0.00 0.06 0.00 3.53 0.00 0.00 57.97 62.01 2by1 h PHE 330 Cb 0.42 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.10 2by1 h PHE 330 CO -0.03 0.01 0.01 1.25 -2.23 0.00 0.00 178.31 177.32 2by1 h HIS 331 N 0.01 0.00 -0.51 0.41 2.76 -1.43 -0.89 115.15 115.51 2by1 h HIS 331 Ca 0.00 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.09 2by1 h HIS 331 Cb -0.00 0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.00 2by1 h HIS 331 CO -0.08 -0.05 -0.11 0.45 -1.30 0.00 0.00 177.93 176.84 2by1 h HIS 332 N 0.11 1.09 -0.77 5.26 3.86 -0.53 0.27 115.15 124.44 2by1 h HIS 332 Ca 0.17 -0.23 -0.04 0.00 -1.16 0.00 0.00 60.37 59.11 2by1 h HIS 332 Cb 0.23 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.40 2by1 h HIS 332 CO -0.24 1.03 0.32 1.49 0.86 0.00 0.00 177.93 181.40 2by1 h GLU 333 N 0.83 1.14 -0.24 2.45 4.57 -0.74 -0.95 114.58 121.63 2by1 h GLU 333 Ca 0.13 -0.19 -0.03 0.00 -1.18 0.00 0.00 59.36 58.09 2by1 h GLU 333 Cb 0.67 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 2by1 h GLU 333 CO 0.05 0.91 0.04 1.15 -1.18 0.00 0.00 179.01 179.98 2by1 h THR 334 N 1.12 1.23 -0.47 0.32 2.02 -0.80 -1.14 112.91 115.18 2by1 h THR 334 Ca 0.26 -0.77 -0.05 0.00 0.77 0.00 0.00 66.41 66.62 2by1 h THR 334 Cb 0.18 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 2by1 h THR 334 CO -0.02 0.24 0.12 -0.09 0.37 0.00 0.00 175.52 176.14 2by1 h ARG 335 N 0.21 0.75 -0.64 6.66 2.43 -0.57 -1.64 114.38 121.58 2by1 h ARG 335 Ca 0.07 -0.18 -0.04 0.00 -0.81 0.00 0.00 59.98 59.02 2by1 h ARG 335 Cb 0.33 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 2by1 h ARG 335 CO 0.00 0.74 0.24 0.28 -1.51 0.00 0.00 179.97 179.72 2by1 h VAL 336 N 0.64 1.23 -0.58 0.20 2.07 -1.15 0.77 116.25 119.42 2by1 h VAL 336 Ca 0.15 -0.75 0.09 0.00 0.82 0.00 0.00 66.70 67.01 2by1 h VAL 336 Cb 0.32 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 30.50 2by1 h VAL 336 CO 0.00 0.30 0.19 0.74 0.02 0.00 0.00 177.57 178.81 2by1 h THR 337 N 0.93 0.75 0.00 2.57 2.02 -0.71 0.18 112.91 118.65 2by1 h THR 337 Ca 0.22 -0.12 -0.08 0.00 0.77 0.00 0.00 66.41 67.19 2by1 h THR 337 Cb 0.21 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 2by1 h THR 337 CO -0.02 0.06 -0.58 -0.07 0.37 0.00 0.00 175.52 175.29 2by1 h LEU 338 N 0.35 0.00 0.00 2.58 3.38 -0.36 -3.40 115.31 117.87 2by1 h LEU 338 Ca 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 2by1 h LEU 338 Cb 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2by1 h LEU 338 CO -0.31 0.37 -1.05 0.35 0.09 0.00 0.00 178.44 177.88 2by1 n THR 339 N -3.10 0.03 -0.78 0.22 -2.24 0.17 -4.47 114.28 104.11 2by1 n THR 339 Ca 0.00 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2by1 n THR 339 Cb 0.69 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 2by1 n THR 339 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2by1 n GLY 340 N 2.69 1.42 3.74 3.38 0.00 0.60 -5.00 105.19 112.03 2by1 n GLY 340 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 2by1 n GLY 340 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2by1 s GLU 341 N -0.01 2.82 -0.01 1.61 -1.05 -1.26 -4.95 118.70 115.84 2by1 s GLU 341 Ca 0.00 1.93 0.02 0.00 -0.15 0.00 0.00 54.97 56.76 2by1 s GLU 341 Cb 0.00 -1.90 0.02 0.00 -0.44 0.00 0.00 34.13 31.81 2by1 s GLU 341 CO 0.00 -1.35 0.79 1.04 0.95 0.00 0.00 175.26 176.69 2by1 n GLN 342 N -1.69 0.39 -2.76 -4.83 1.13 -1.26 -4.66 117.38 103.69 2by1 n GLN 342 Ca 0.14 -0.96 -0.35 0.00 -1.94 0.00 0.00 57.00 53.90 2by1 n GLN 342 Cb 0.49 -0.63 -0.06 0.00 0.11 0.00 0.00 30.24 30.15 2by1 n GLN 342 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2by1 s GLU 343 N -0.33 4.31 6.25 -1.09 0.41 -1.26 -3.04 118.70 123.95 2by1 s GLU 343 Ca 0.03 1.24 0.00 0.00 -0.41 0.00 0.00 54.97 55.82 2by1 s GLU 343 Cb 0.02 -2.40 0.00 0.00 -1.78 0.00 0.00 34.13 29.97 2by1 s GLU 343 CO 0.00 0.03 0.00 0.41 -0.49 0.00 0.00 175.26 175.21 2by1 n GLY 344 N -0.14 3.12 0.19 -1.39 0.00 -1.26 -2.08 105.19 103.63 2by1 n GLY 344 Ca 0.05 -0.27 0.14 0.00 0.00 0.00 0.00 46.02 45.95 2by1 n GLY 344 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2by1 h TYR 345 N 0.00 0.00 -0.03 1.61 -0.00 -1.98 -2.56 116.97 114.01 2by1 h TYR 345 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 58.73 58.74 2by1 h TYR 345 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.73 2by1 h TYR 345 CO 0.00 0.00 0.03 1.88 -0.00 0.00 0.00 178.16 180.07 2by1 h TYR 346 N 0.00 0.00 0.00 0.10 0.05 -1.69 -0.22 116.97 115.21 2by1 h TYR 346 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2by1 h TYR 346 Cb 0.42 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.16 2by1 h TYR 346 CO 0.00 0.00 0.01 0.00 -1.05 0.00 0.00 178.16 177.12 2by1 h ALA 347 N 1.97 1.00 0.00 3.88 0.00 -1.37 -2.40 119.26 122.34 2by1 h ALA 347 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2by1 h ALA 347 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2by1 h ALA 347 CO -0.00 -0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2by1 n GLY 348 N -1.27 -0.73 2.93 0.00 0.00 -0.09 -4.87 105.19 101.15 2by1 n GLY 348 Ca -0.02 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 2by1 n GLY 348 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2by1 s TYR 349 N -2.00 0.33 -0.00 1.61 2.02 -0.91 -5.03 117.35 113.37 2by1 s TYR 349 Ca 0.34 -0.06 -0.05 0.00 -0.37 0.00 0.00 57.07 56.93 2by1 s TYR 349 Cb 0.16 -0.21 -0.29 0.00 -0.40 0.00 0.00 41.96 41.22 2by1 s TYR 349 CO 0.26 -0.01 0.83 -0.09 -1.57 0.00 0.00 175.55 174.98 2by1 h ARG 350 N 6.06 0.29 -1.31 -0.62 2.43 -1.89 -3.50 114.38 115.86 2by1 h ARG 350 Ca -0.27 -0.50 0.15 0.00 -0.81 0.00 0.00 59.98 58.55 2by1 h ARG 350 Cb 1.20 0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 30.89 2by1 h ARG 350 CO 0.50 1.17 -0.29 0.41 -1.51 0.00 0.00 179.97 180.26 2by1 n GLY 351 N 1.71 -1.88 0.00 2.80 0.00 -1.26 -4.68 105.19 101.88 2by1 n GLY 351 Ca -0.18 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2by1 n GLY 351 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2by1 n GLY 352 N -2.77 2.18 0.09 -0.02 0.00 -1.26 -4.42 105.19 99.00 2by1 n GLY 352 Ca -0.01 -2.01 -0.11 0.00 0.00 0.00 0.00 46.02 43.90 2by1 n GLY 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2by1 h ALA 353 N 0.00 0.19 -0.42 4.61 0.00 -1.83 0.73 119.26 122.53 2by1 h ALA 353 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2by1 h ALA 353 Cb 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2by1 h ALA 353 CO 0.00 -0.31 0.26 1.49 0.00 0.00 0.00 179.25 180.70 2by1 h GLU 354 N 0.19 0.52 -0.31 0.00 4.81 -1.88 0.07 114.58 117.98 2by1 h GLU 354 Ca 0.05 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2by1 h GLU 354 Cb 0.01 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 2by1 h GLU 354 CO -0.01 0.34 0.18 0.00 -0.73 0.00 0.00 179.01 178.79 2by1 h ALA 355 N 1.17 0.40 -0.70 2.92 0.00 -1.69 -1.47 119.26 119.89 2by1 h ALA 355 Ca 0.16 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2by1 h ALA 355 Cb -0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2by1 h ALA 355 CO -0.06 -0.09 0.28 -0.07 0.00 0.00 0.00 179.25 179.31 2by1 h LEU 356 N 0.39 0.97 -0.96 0.00 3.38 -0.66 -1.16 115.31 117.28 2by1 h LEU 356 Ca 0.11 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 57.97 2by1 h LEU 356 Cb 0.03 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.47 2by1 h LEU 356 CO -0.02 0.88 0.61 0.00 0.09 0.00 0.00 178.44 180.01 2by1 h ALA 357 N 1.13 1.31 -0.07 1.53 0.00 -0.57 -0.74 119.26 121.85 2by1 h ALA 357 Ca 0.23 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2by1 h ALA 357 Cb 0.21 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2by1 h ALA 357 CO -0.02 0.41 -0.05 -0.92 0.00 0.00 0.00 179.25 178.68 2by1 h TYR 358 N 1.13 0.19 -0.49 0.00 3.20 -0.93 -1.37 116.97 118.70 2by1 h TYR 358 Ca 0.41 -0.05 0.01 0.00 3.14 0.00 0.00 58.73 62.23 2by1 h TYR 358 Cb 0.13 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 2by1 h TYR 358 CO -0.01 0.56 0.32 1.15 -1.64 0.00 0.00 178.16 178.54 2by1 h THR 359 N -0.24 1.11 -0.32 1.81 2.02 -0.93 -0.30 112.91 116.05 2by1 h THR 359 Ca 0.01 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.97 2by1 h THR 359 Cb 0.52 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 2by1 h THR 359 CO 0.01 0.12 0.21 0.40 0.37 0.00 0.00 175.52 176.63 2by1 h ILE 360 N 0.65 1.09 0.00 3.11 2.04 -1.12 0.27 117.51 123.55 2by1 h ILE 360 Ca 0.18 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 2by1 h ILE 360 Cb -0.06 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2by1 h ILE 360 CO -0.05 0.09 -0.13 0.08 0.00 0.00 0.00 178.15 178.14 2by1 h ARG 361 N 0.43 0.00 -0.02 2.37 0.11 -0.63 -2.06 114.38 114.59 2by1 h ARG 361 Ca 0.12 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.20 2by1 h ARG 361 Cb -0.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.04 2by1 h ARG 361 CO -0.02 0.13 -0.39 0.54 0.10 0.00 0.00 179.97 180.33 2by1 n ARG 362 N -3.56 1.31 0.00 0.08 5.12 -0.18 -4.99 116.66 114.45 2by1 n ARG 362 Ca -0.01 -1.06 0.00 0.00 -1.93 0.00 0.00 57.85 54.85 2by1 n ARG 362 Cb 0.27 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 30.09 2by1 n ARG 362 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2by1 n GLY 363 N 1.40 1.40 3.33 -0.13 0.00 0.07 -4.66 105.19 106.59 2by1 n GLY 363 Ca 0.10 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 2by1 n GLY 363 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2by1 s TRP 364 N 0.00 1.62 -0.12 1.61 -2.14 -1.23 -4.72 118.94 113.95 2by1 s TRP 364 Ca 0.00 -0.64 -0.27 0.00 2.66 0.00 0.00 56.10 57.85 2by1 s TRP 364 Cb 0.00 -0.78 -0.27 0.00 -3.10 0.00 0.00 33.47 29.32 2by1 s TRP 364 CO 0.00 0.28 0.80 -0.09 -2.66 0.00 0.00 176.95 175.28 2by1 h ARG 365 N 2.59 0.07 -5.76 3.25 2.43 -1.86 -3.45 114.38 111.65 2by1 h ARG 365 Ca -0.38 -0.11 -0.62 0.00 -0.81 0.00 0.00 59.98 58.05 2by1 h ARG 365 Cb 1.21 0.04 -0.13 0.00 -0.42 0.00 0.00 29.97 30.68 2by1 h ARG 365 CO 0.63 1.05 0.34 0.71 -1.51 0.00 0.00 179.97 181.19 2by1 s TYR 366 N -2.29 3.03 -0.15 2.20 2.02 -1.26 -4.86 117.35 116.05 2by1 s TYR 366 Ca -0.18 0.27 0.15 0.00 -0.37 0.00 0.00 57.07 56.94 2by1 s TYR 366 Cb -0.02 -3.56 0.34 0.00 -0.40 0.00 0.00 41.96 38.32 2by1 s TYR 366 CO 0.72 -0.90 1.17 0.39 -1.57 0.00 0.00 175.55 175.37 2by1 n GLU 367 N 6.59 1.31 0.00 -0.62 1.02 -1.22 -3.78 120.64 123.94 2by1 n GLU 367 Ca 0.02 -2.81 0.00 0.00 -0.02 0.00 0.00 57.16 54.36 2by1 n GLU 367 Cb 0.48 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 2by1 n GLU 367 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2by1 n GLY 368 N -1.17 1.17 3.79 0.62 0.00 0.63 -3.35 105.19 106.88 2by1 n GLY 368 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 2by1 n GLY 368 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2by1 s GLN 369 N 0.00 1.66 0.13 1.61 0.00 -1.23 -4.10 119.66 117.73 2by1 s GLN 369 Ca 0.00 0.52 -0.31 0.00 -0.00 0.00 0.00 55.36 55.57 2by1 s GLN 369 Cb 0.00 -1.88 -0.08 0.00 0.00 0.00 0.00 33.01 31.05 2by1 s GLN 369 CO 0.00 -1.89 1.38 0.12 0.00 0.00 0.00 175.29 174.90 2by1 s PHE 370 N -3.18 3.24 -0.39 9.60 5.36 -1.26 -1.53 117.98 129.81 2by1 s PHE 370 Ca 0.62 0.99 -0.17 0.00 -0.96 0.00 0.00 56.93 57.41 2by1 s PHE 370 Cb -0.15 -3.68 0.01 0.00 -0.34 0.00 0.00 43.02 38.86 2by1 s PHE 370 CO 0.54 -2.33 0.46 -0.46 -1.46 0.00 0.00 175.22 171.97 2by1 s TRP 371 N 0.92 3.17 -2.09 10.12 -0.11 0.40 -4.87 118.94 126.48 2by1 s TRP 371 Ca 0.63 -0.16 0.19 0.00 1.22 0.00 0.00 56.10 57.98 2by1 s TRP 371 Cb -0.37 -2.92 0.52 0.00 -1.50 0.00 0.00 33.47 29.20 2by1 s TRP 371 CO 0.32 -0.64 1.43 0.00 -4.62 0.00 0.00 176.95 173.44 2by1 n ALA 372 N 5.67 2.42 -1.94 5.86 0.00 -1.26 -2.78 120.51 128.48 2by1 n ALA 372 Ca -0.06 -0.96 -0.42 0.00 0.00 0.00 0.00 53.44 51.99 2by1 n ALA 372 Cb 0.48 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 2by1 n ALA 372 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2by1 s VAL 373 N -1.32 3.24 0.21 0.00 1.01 -1.26 -4.87 120.40 117.41 2by1 s VAL 373 Ca 0.38 0.54 -0.32 0.00 0.00 0.00 0.00 61.98 62.58 2by1 s VAL 373 Cb 0.20 -3.35 -0.12 0.00 0.00 0.00 0.00 36.38 33.12 2by1 s VAL 373 CO 0.27 -0.02 1.72 -0.54 0.00 0.00 0.00 175.10 176.53 2by1 s LYS 374 N 3.26 4.13 0.00 2.72 1.02 -1.26 -1.15 119.74 128.45 2by1 s LYS 374 Ca 0.75 2.60 0.00 0.00 0.02 0.00 0.00 55.97 59.34 2by1 s LYS 374 Cb -0.38 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 33.86 2by1 s LYS 374 CO 0.32 -0.75 0.00 0.41 -0.92 0.00 0.00 175.35 174.41 2by1 n GLY 375 N 3.97 1.19 0.10 -3.33 0.00 -1.26 -4.85 105.19 101.01 2by1 n GLY 375 Ca 0.16 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.19 2by1 n GLY 375 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2by1 n GLU 376 N -2.00 0.86 -1.91 1.61 1.02 -0.30 -5.10 120.64 114.83 2by1 n GLU 376 Ca 0.00 -1.06 -0.42 0.00 -0.02 0.00 0.00 57.16 55.66 2by1 n GLU 376 Cb 0.00 -0.73 -0.03 0.00 -0.02 0.00 0.00 31.44 30.67 2by1 n GLU 376 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2by1 s GLU 377 N -0.54 4.20 0.10 3.49 8.01 -1.15 -4.80 118.70 128.01 2by1 s GLU 377 Ca 0.03 2.37 -0.26 0.00 0.01 0.00 0.00 54.97 57.12 2by1 s GLU 377 Cb 0.03 -3.42 0.08 0.00 -4.31 0.00 0.00 34.13 26.51 2by1 s GLU 377 CO 0.00 -0.70 1.08 -3.38 0.01 0.00 0.00 175.26 172.27 2by1 s HIS 378 N 2.06 -0.07 -0.47 1.61 -3.43 -1.12 -5.01 115.29 108.85 2by1 s HIS 378 Ca 0.73 -0.18 -0.28 0.00 -0.80 0.00 0.00 55.06 54.54 2by1 s HIS 378 Cb -0.42 0.62 0.03 0.00 -1.43 0.00 0.00 32.58 31.38 2by1 s HIS 378 CO 0.32 -0.66 1.06 -1.21 -2.00 0.00 0.00 174.74 172.25 2by1 s GLU 379 N -2.87 3.65 -0.20 -0.38 2.02 -1.26 -0.45 118.70 119.22 2by1 s GLU 379 Ca 0.14 0.41 -0.10 0.00 0.02 0.00 0.00 54.97 55.45 2by1 s GLU 379 Cb 0.00 -3.91 -0.05 0.00 0.10 0.00 0.00 34.13 30.27 2by1 s GLU 379 CO 0.01 -1.32 0.13 0.50 0.02 0.00 0.00 175.26 174.60 2by1 s ARG 380 N 4.19 4.14 0.00 1.61 3.52 -0.58 -4.88 118.95 126.95 2by1 s ARG 380 Ca 0.44 -0.21 0.00 0.00 -0.13 0.00 0.00 55.73 55.82 2by1 s ARG 380 Cb -0.08 -3.41 0.00 0.00 -1.56 0.00 0.00 34.95 29.90 2by1 s ARG 380 CO 0.30 0.33 0.00 0.41 -0.81 0.00 0.00 175.30 175.53 2by1 n GLY 381 N 3.42 -0.25 3.16 8.12 0.00 -1.22 -0.27 105.19 118.16 2by1 n GLY 381 Ca -0.16 -1.84 -0.09 0.00 0.00 0.00 0.00 46.02 43.93 2by1 n GLY 381 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2by1 s HIS 382 N -1.34 0.18 0.16 1.61 3.76 -0.68 -2.31 115.29 116.68 2by1 s HIS 382 Ca 0.00 -0.53 -0.34 0.00 -0.15 0.00 0.00 55.06 54.04 2by1 s HIS 382 Cb 0.00 -0.11 -0.14 0.00 1.11 0.00 0.00 32.58 33.44 2by1 s HIS 382 CO 0.00 -0.44 1.54 -2.30 -0.85 0.00 0.00 174.74 172.68 2by1 n PRO 383 N 0.40 2.04 -0.13 8.40 -0.02 -1.21 -4.42 135.00 140.05 2by1 n PRO 383 Ca -0.17 0.73 0.08 0.00 -2.02 0.00 0.00 63.50 62.12 2by1 n PRO 383 Cb 0.60 -2.48 0.25 0.00 -0.02 0.00 0.00 33.50 31.85 2by1 n PRO 383 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2by1 n SER 384 N 3.20 1.70 -0.25 2.55 3.41 -1.26 -4.60 113.62 118.38 2by1 n SER 384 Ca 0.17 -1.87 0.14 0.00 -0.26 0.00 0.00 58.87 57.05 2by1 n SER 384 Cb 0.28 -0.17 0.43 0.00 -0.26 0.00 0.00 64.21 64.48 2by1 n SER 384 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2by1 h ASP 385 N 2.01 0.56 0.91 4.04 5.19 -1.90 -1.25 116.42 125.99 2by1 h ASP 385 Ca 0.00 0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.43 2by1 h ASP 385 Cb 0.45 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 39.89 2by1 h ASP 385 CO 0.00 0.27 -0.11 0.00 -3.12 0.00 0.00 179.24 176.28 2by1 h ALA 386 N 1.61 1.03 -2.48 3.45 0.00 -2.00 -3.44 119.26 117.43 2by1 h ALA 386 Ca 0.45 -0.10 -0.52 0.00 0.00 0.00 0.00 54.91 54.74 2by1 h ALA 386 Cb 0.85 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2by1 h ALA 386 CO -0.19 0.14 0.08 -0.51 0.00 0.00 0.00 179.25 178.76 2by1 s LEU 387 N -6.54 4.27 0.34 0.00 1.43 -0.47 -5.07 118.68 112.63 2by1 s LEU 387 Ca 0.00 1.34 0.07 0.00 -1.03 0.00 0.00 54.13 54.52 2by1 s LEU 387 Cb 0.10 -3.68 -0.02 0.00 0.03 0.00 0.00 46.19 42.61 2by1 s LEU 387 CO 0.59 -0.02 0.31 -0.70 0.23 0.00 0.00 176.35 176.76 2by1 s GLU 388 N -2.24 2.75 0.22 1.70 2.56 -1.26 -4.97 118.70 117.46 2by1 s GLU 388 Ca 0.45 -1.28 -0.08 0.00 0.00 0.00 0.00 54.97 54.07 2by1 s GLU 388 Cb -0.15 -2.51 0.36 0.00 2.00 0.00 0.00 34.13 33.84 2by1 s GLU 388 CO 0.20 0.08 1.70 0.00 -0.56 0.00 0.00 175.26 176.68 2by1 h ALA 389 N 1.20 0.82 0.00 6.30 0.00 -1.88 -0.32 119.26 125.38 2by1 h ALA 389 Ca -0.45 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 2by1 h ALA 389 Cb 1.25 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 2by1 h ALA 389 CO 0.58 -0.30 -0.06 -1.35 0.00 0.00 0.00 179.25 178.12 2by1 h PRO 390 N 0.29 0.00 0.00 0.00 0.11 -1.77 -2.44 132.00 128.19 2by1 h PRO 390 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 2by1 h PRO 390 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 2by1 h PRO 390 CO -0.44 0.06 0.00 -0.91 -0.21 0.00 0.00 178.00 176.51 2by1 h ASN 391 N 0.00 0.00 -3.52 -2.05 2.35 -1.28 -3.39 115.58 107.69 2by1 h ASN 391 Ca -0.00 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.14 2by1 h ASN 391 Cb 0.26 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.50 2by1 h ASN 391 CO 0.01 0.00 -0.32 -0.36 -1.65 0.00 0.00 177.43 175.11 2by1 s PHE 392 N -3.75 3.35 -0.26 1.19 0.08 -0.92 -0.62 117.98 117.04 2by1 s PHE 392 Ca -0.01 0.46 -0.11 0.00 0.12 0.00 0.00 56.93 57.39 2by1 s PHE 392 Cb 0.10 -2.42 -0.05 0.00 -0.57 0.00 0.00 43.02 40.08 2by1 s PHE 392 CO 0.45 0.02 0.18 0.08 -0.10 0.00 0.00 175.22 175.84 2by1 s VAL 393 N 1.22 5.33 0.10 -0.44 1.01 -0.13 -1.25 120.40 126.24 2by1 s VAL 393 Ca 0.14 0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.35 2by1 s VAL 393 Cb -0.14 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 2by1 s VAL 393 CO 0.07 0.30 -0.01 -0.31 0.00 0.00 0.00 175.10 175.14 2by1 s TYR 394 N 1.42 2.94 0.19 5.22 1.51 -0.13 -2.14 117.35 126.36 2by1 s TYR 394 Ca 0.07 -0.05 -0.14 0.00 -1.01 0.00 0.00 57.07 55.94 2by1 s TYR 394 Cb -0.15 -1.51 0.01 0.00 -0.11 0.00 0.00 41.96 40.20 2by1 s TYR 394 CO 0.08 0.47 0.44 0.00 -1.11 0.00 0.00 175.55 175.44 2by1 n ILE 396 N -0.30 0.00 -3.73 0.00 -5.35 -1.26 -3.68 119.36 105.04 2by1 n ILE 396 Ca -0.08 -0.34 -0.13 0.00 -0.27 0.00 0.00 62.75 61.93 2by1 n ILE 396 Cb 0.62 1.07 -0.10 0.00 -1.74 0.00 0.00 39.64 39.50 2by1 n ILE 396 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2by1 s GLN 397 N -1.60 0.46 0.35 6.28 -1.52 -1.26 -4.89 119.66 117.48 2by1 s GLN 397 Ca 0.07 0.60 -0.06 0.00 -1.95 0.00 0.00 55.36 54.02 2by1 s GLN 397 Cb 0.08 0.18 0.02 0.00 -0.22 0.00 0.00 33.01 33.08 2by1 s GLN 397 CO 0.32 -0.08 0.56 0.27 -0.25 0.00 0.00 175.29 176.12 2by1 n ASN 398 N 3.12 -1.61 -0.27 5.90 0.23 -1.26 -3.94 115.26 117.44 2by1 n ASN 398 Ca -0.15 -2.72 0.02 0.00 -0.53 0.00 0.00 54.58 51.20 2by1 n ASN 398 Cb 0.57 2.85 0.15 0.00 -2.08 0.00 0.00 39.78 41.26 2by1 n ASN 398 CO 0.00 0.00 0.00 1.12 -0.93 0.00 0.00 177.26 177.45 2by1 h HIS 399 N 1.96 0.75 -0.01 -2.53 2.07 -1.98 -2.25 115.15 113.15 2by1 h HIS 399 Ca -0.28 0.03 -0.25 0.00 -2.85 0.00 0.00 60.37 57.02 2by1 h HIS 399 Cb 1.15 -0.22 0.02 0.00 2.57 0.00 0.00 27.41 30.93 2by1 h HIS 399 CO 0.00 0.30 -0.99 -0.44 -3.07 0.00 0.00 177.93 173.73 2by1 h ASP 400 N 0.70 0.82 0.51 3.10 3.32 -1.97 0.27 116.42 123.17 2by1 h ASP 400 Ca 0.37 -0.64 0.00 0.00 0.02 0.00 0.00 57.03 56.77 2by1 h ASP 400 Cb 0.34 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2by1 h ASP 400 CO -0.25 1.44 0.00 0.00 -1.72 0.00 0.00 179.24 178.71 2by1 n GLN 401 N -3.83 0.41 -0.09 3.56 1.13 -0.93 -1.15 117.38 116.48 2by1 n GLN 401 Ca -0.10 0.02 -0.16 0.00 -1.94 0.00 0.00 57.00 54.82 2by1 n GLN 401 Cb 0.86 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 29.65 2by1 n GLN 401 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 2by1 n ILE 402 N -1.28 1.40 0.27 5.09 5.41 -0.89 -4.75 119.36 124.61 2by1 n ILE 402 Ca 0.13 -0.07 0.17 0.00 1.00 0.00 0.00 62.75 63.99 2by1 n ILE 402 Cb 0.22 -2.05 0.67 0.00 -0.71 0.00 0.00 39.64 37.76 2by1 n ILE 402 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2by1 h GLY 403 N -0.87 0.00 2.00 7.39 0.00 -0.42 -2.72 103.07 108.46 2by1 h GLY 403 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2by1 h GLY 403 CO -0.18 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.52 2by1 n ASN 404 N -3.11 0.12 -4.81 0.19 0.23 -0.30 -4.11 115.26 103.47 2by1 n ASN 404 Ca 0.01 0.52 -0.36 0.00 -0.53 0.00 0.00 54.58 54.21 2by1 n ASN 404 Cb 0.32 -0.55 -0.06 0.00 -2.08 0.00 0.00 39.78 37.41 2by1 n ASN 404 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 2by1 s ARG 405 N -3.04 4.28 0.27 -3.83 0.52 -1.02 -4.96 118.95 111.16 2by1 s ARG 405 Ca 0.09 0.90 -0.01 0.00 -0.52 0.00 0.00 55.73 56.18 2by1 s ARG 405 Cb 0.12 -2.92 0.60 0.00 0.52 0.00 0.00 34.95 33.27 2by1 s ARG 405 CO 0.37 0.41 1.67 -1.35 0.02 0.00 0.00 175.30 176.43 2by1 h PRO 406 N 3.52 0.25 -0.37 3.54 0.11 -1.88 -1.07 132.00 136.10 2by1 h PRO 406 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2by1 h PRO 406 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2by1 h PRO 406 CO 0.65 0.17 0.00 1.28 -0.21 0.00 0.00 178.00 179.89 2by1 n LEU 407 N -5.18 3.14 -2.88 2.35 4.77 -1.26 -4.37 117.00 113.58 2by1 n LEU 407 Ca 0.18 -1.66 -0.22 0.00 -0.03 0.00 0.00 56.01 54.28 2by1 n LEU 407 Cb 0.58 -0.24 0.02 0.00 -2.33 0.00 0.00 43.42 41.44 2by1 n LEU 407 CO 0.10 0.72 -0.07 0.61 -1.33 0.00 0.00 177.39 177.42 2by1 n GLY 408 N 1.08 -0.52 3.84 -0.72 0.00 -0.40 -4.76 105.19 103.72 2by1 n GLY 408 Ca 0.16 0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 2by1 n GLY 408 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2by1 s GLU 409 N -5.55 4.03 0.77 1.61 1.03 -1.26 -1.06 118.70 118.27 2by1 s GLU 409 Ca 0.23 0.74 -0.11 0.00 0.03 0.00 0.00 54.97 55.85 2by1 s GLU 409 Cb -0.10 -2.39 0.06 0.00 -0.80 0.00 0.00 34.13 30.90 2by1 s GLU 409 CO 0.29 0.12 1.14 1.03 -1.33 0.00 0.00 175.26 176.50 2by1 s ARG 410 N -3.04 2.23 0.19 -4.83 0.52 -1.26 -4.71 118.95 108.05 2by1 s ARG 410 Ca 0.55 0.16 -0.12 0.00 -0.52 0.00 0.00 55.73 55.81 2by1 s ARG 410 Cb -0.10 -2.00 0.12 0.00 0.52 0.00 0.00 34.95 33.49 2by1 s ARG 410 CO 0.17 -1.41 1.84 1.25 0.02 0.00 0.00 175.30 177.18 2by1 h LEU 411 N -0.90 0.80 -0.20 2.53 5.85 -1.93 0.48 115.31 121.95 2by1 h LEU 411 Ca -0.46 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.21 2by1 h LEU 411 Cb 1.31 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.14 2by1 h LEU 411 CO 0.65 0.61 0.00 0.00 -0.34 0.00 0.00 178.44 179.36 2by1 n HIS 412 N -4.58 0.22 0.07 1.25 1.44 -1.26 -2.54 115.22 109.83 2by1 n HIS 412 Ca 0.05 0.09 0.03 0.00 -2.01 0.00 0.00 57.72 55.89 2by1 n HIS 412 Cb 0.05 -0.64 -0.04 0.00 0.12 0.00 0.00 29.99 29.48 2by1 n HIS 412 CO 0.00 0.00 0.00 1.96 -2.81 0.00 0.00 176.34 175.49 2by1 h GLN 413 N 0.00 0.00 -7.07 -1.40 4.20 -1.23 -3.46 115.11 106.15 2by1 h GLN 413 Ca 0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.19 2by1 h GLN 413 Cb 0.28 0.00 0.09 0.00 0.30 0.00 0.00 27.48 28.15 2by1 h GLN 413 CO 0.00 0.24 0.48 -1.12 -0.67 0.00 0.00 178.83 177.76 2by1 s SER 414 N -5.80 5.54 0.12 1.46 0.01 -1.04 -4.86 113.70 109.13 2by1 s SER 414 Ca -0.01 2.35 -0.33 0.00 1.31 0.00 0.00 55.95 59.26 2by1 s SER 414 Cb 0.09 -2.60 -0.13 0.00 0.21 0.00 0.00 66.02 63.59 2by1 s SER 414 CO 0.79 -1.35 1.70 0.47 0.41 0.00 0.00 173.24 175.26 2by1 n ASP 415 N -1.24 3.46 0.00 2.44 8.00 -1.26 -2.32 116.55 125.63 2by1 n ASP 415 Ca 0.12 1.04 0.00 0.00 0.71 0.00 0.00 54.79 56.66 2by1 n ASP 415 Cb 0.49 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.13 2by1 n ASP 415 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2by1 n GLY 416 N 3.80 2.93 3.71 0.44 0.00 -1.26 -4.87 105.19 109.94 2by1 n GLY 416 Ca 0.18 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2by1 n GLY 416 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2by1 s VAL 417 N -2.51 2.60 0.39 1.61 1.01 -0.98 -5.00 120.40 117.52 2by1 s VAL 417 Ca 0.00 0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.31 2by1 s VAL 417 Cb 0.00 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 2by1 s VAL 417 CO 0.00 0.02 0.60 0.42 0.00 0.00 0.00 175.10 176.13 2by1 s THR 418 N 1.71 4.52 0.34 3.92 -4.23 -1.26 -4.84 115.64 115.81 2by1 s THR 418 Ca 0.73 -0.52 0.24 0.00 -1.18 0.00 0.00 61.69 60.96 2by1 s THR 418 Cb -0.44 -3.65 0.25 0.00 1.34 0.00 0.00 72.50 70.00 2by1 s THR 418 CO 0.32 -0.43 1.98 -0.07 -0.54 0.00 0.00 174.62 175.88 2by1 h LEU 419 N 0.60 0.00 -0.24 4.79 3.38 -1.95 -0.75 115.31 121.15 2by1 h LEU 419 Ca -0.48 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.44 2by1 h LEU 419 Cb 1.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 2by1 h LEU 419 CO 0.59 0.18 -0.05 0.45 0.09 0.00 0.00 178.44 179.70 2by1 h HIS 420 N 0.00 0.51 -0.76 1.13 3.86 -1.91 -0.15 115.15 117.83 2by1 h HIS 420 Ca -0.00 -0.11 -0.05 0.00 -1.16 0.00 0.00 60.37 59.05 2by1 h HIS 420 Cb 0.48 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.79 2by1 h HIS 420 CO 0.00 0.68 0.27 0.93 0.86 0.00 0.00 177.93 180.67 2by1 h GLU 421 N 0.19 1.16 -0.59 2.45 5.08 -1.51 -0.18 114.58 121.18 2by1 h GLU 421 Ca 0.06 -0.23 0.03 0.00 -1.00 0.00 0.00 59.36 58.22 2by1 h GLU 421 Cb 0.51 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 2by1 h GLU 421 CO 0.02 0.96 0.35 -0.92 -1.00 0.00 0.00 179.01 178.42 2by1 h TYR 422 N 1.11 0.66 -0.66 4.33 3.20 -0.99 -0.60 116.97 124.02 2by1 h TYR 422 Ca 0.25 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.06 2by1 h TYR 422 Cb 0.26 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 2by1 h TYR 422 CO 0.02 0.37 0.11 0.00 -1.64 0.00 0.00 178.16 177.02 2by1 h ARG 423 N 0.69 1.09 -0.80 1.82 3.08 -0.72 -2.23 114.38 117.31 2by1 h ARG 423 Ca 0.24 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2by1 h ARG 423 Cb 0.04 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 2by1 h ARG 423 CO -0.11 1.00 0.48 0.78 -1.07 0.00 0.00 179.97 181.05 2by1 h GLY 424 N 1.05 1.17 1.07 0.04 0.00 -0.66 -2.31 103.07 103.43 2by1 h GLY 424 Ca 0.20 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 2by1 h GLY 424 CO 0.01 0.47 0.28 0.00 0.00 0.00 0.00 176.54 177.30 2by1 h ALA 425 N 1.26 1.04 -0.74 3.60 0.00 -0.88 -1.68 119.26 121.86 2by1 h ALA 425 Ca 0.29 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2by1 h ALA 425 Cb -0.04 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.41 2by1 h ALA 425 CO -0.05 0.66 0.47 0.00 0.00 0.00 0.00 179.25 180.33 2by1 h ALA 426 N 1.17 0.98 -0.59 0.00 0.00 -1.05 -0.70 119.26 119.07 2by1 h ALA 426 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2by1 h ALA 426 Cb 0.25 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2by1 h ALA 426 CO -0.02 0.25 0.37 0.00 0.00 0.00 0.00 179.25 179.86 2by1 h ALA 427 N 1.32 0.74 0.21 0.00 0.00 -0.86 0.16 119.26 120.83 2by1 h ALA 427 Ca 0.30 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2by1 h ALA 427 Cb 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2by1 h ALA 427 CO -0.11 0.20 -0.10 1.25 0.00 0.00 0.00 179.25 180.48 2by1 h LEU 428 N 0.79 -0.24 -0.25 0.00 5.85 -0.99 -2.23 115.31 118.24 2by1 h LEU 428 Ca 0.21 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.94 2by1 h LEU 428 Cb -0.06 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 2by1 h LEU 428 CO -0.04 -0.12 -0.03 0.25 -0.34 0.00 0.00 178.44 178.15 2by1 h LEU 429 N -0.34 -0.16 -0.24 2.25 5.85 -0.93 -2.89 115.31 118.84 2by1 h LEU 429 Ca -0.03 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2by1 h LEU 429 Cb 0.26 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2by1 h LEU 429 CO 0.05 -0.05 -0.12 0.18 -0.34 0.00 0.00 178.44 178.15 2by1 n LEU 430 N -5.19 0.50 -0.10 2.25 4.77 0.03 -3.03 117.00 116.23 2by1 n LEU 430 Ca -0.01 -0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.06 2by1 n LEU 430 Cb 0.14 -0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 40.96 2by1 n LEU 430 CO 0.23 0.09 0.03 0.35 -1.33 0.00 0.00 177.39 176.77 2by1 n THR 431 N -0.95 0.00 -2.28 -5.08 -2.24 -0.84 -4.71 114.28 98.18 2by1 n THR 431 Ca 0.14 -0.11 -0.33 0.00 -2.27 0.00 0.00 64.05 61.48 2by1 n THR 431 Cb 0.28 1.05 -0.01 0.00 -2.10 0.00 0.00 70.33 69.56 2by1 n THR 431 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2by1 s LEU 432 N -2.75 3.65 -1.43 3.22 1.43 -1.10 -4.98 118.68 116.71 2by1 s LEU 432 Ca 0.09 1.83 -0.11 0.00 -1.03 0.00 0.00 54.13 54.91 2by1 s LEU 432 Cb 0.15 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.77 2by1 s LEU 432 CO 0.71 -0.95 2.57 -0.81 0.23 0.00 0.00 176.35 178.11 2by1 n PRO 433 N -1.56 3.10 -4.01 1.29 -0.04 -1.26 -4.90 135.00 127.62 2by1 n PRO 433 Ca 0.09 -2.20 -0.34 0.00 -0.04 0.00 0.00 63.50 61.01 2by1 n PRO 433 Cb 0.53 -2.91 -0.15 0.00 -0.04 0.00 0.00 33.50 30.93 2by1 n PRO 433 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2by1 s THR 435 N 2.82 2.67 0.35 0.52 2.01 -0.38 -4.07 115.64 119.56 2by1 s THR 435 Ca 0.58 -0.88 -0.06 0.00 0.31 0.00 0.00 61.69 61.65 2by1 s THR 435 Cb 0.16 -2.24 -0.05 0.00 0.01 0.00 0.00 72.50 70.37 2by1 s THR 435 CO -0.05 0.38 0.64 -2.16 -0.69 0.00 0.00 174.62 172.73 2by1 s PRO 436 N 1.34 3.64 -0.03 4.92 0.04 -1.26 -0.96 135.00 142.69 2by1 s PRO 436 Ca 0.03 0.11 0.02 0.00 0.04 0.00 0.00 61.00 61.20 2by1 s PRO 436 Cb -0.15 -2.55 0.01 0.00 0.04 0.00 0.00 34.50 31.86 2by1 s PRO 436 CO -0.07 0.08 -0.07 -1.17 0.04 0.00 0.00 177.00 175.81 2by1 s LEU 437 N -3.87 1.64 0.10 -3.56 0.20 -0.27 -1.26 118.68 111.65 2by1 s LEU 437 Ca 0.46 -0.15 0.06 0.00 0.69 0.00 0.00 54.13 55.18 2by1 s LEU 437 Cb -0.10 -0.47 -0.04 0.00 -0.43 0.00 0.00 46.19 45.14 2by1 s LEU 437 CO 0.33 0.02 -0.03 -0.76 -0.29 0.00 0.00 176.35 175.62 2by1 s LEU 438 N 0.43 3.33 -0.09 -0.68 1.43 0.39 -4.39 118.68 119.10 2by1 s LEU 438 Ca -0.06 -0.25 -0.07 0.00 -1.03 0.00 0.00 54.13 52.72 2by1 s LEU 438 Cb -0.10 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 2by1 s LEU 438 CO 0.00 0.17 0.16 0.12 0.23 0.00 0.00 176.35 177.04 2by1 s PHE 439 N -1.31 3.60 0.09 0.29 5.36 -1.25 -0.46 117.98 124.29 2by1 s PHE 439 Ca 0.25 0.53 -0.36 0.00 -0.96 0.00 0.00 56.93 56.38 2by1 s PHE 439 Cb -0.11 -1.94 -0.17 0.00 -0.34 0.00 0.00 43.02 40.46 2by1 s PHE 439 CO 0.17 0.72 1.26 0.00 -1.46 0.00 0.00 175.22 175.91 2by1 n GLN 440 N 1.77 0.97 0.00 10.12 10.64 -0.34 -0.94 117.38 139.60 2by1 n GLN 440 Ca -0.18 0.35 0.00 0.00 -1.83 0.00 0.00 57.00 55.34 2by1 n GLN 440 Cb 0.54 -1.94 0.00 0.00 -0.86 0.00 0.00 30.24 27.98 2by1 n GLN 440 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2by1 n GLY 441 N 2.29 2.54 0.28 2.61 0.00 -1.26 -4.87 105.19 106.77 2by1 n GLY 441 Ca 0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.34 2by1 n GLY 441 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2by1 h GLN 442 N 2.37 0.00 0.00 1.61 3.07 -1.44 -1.66 115.11 119.06 2by1 h GLN 442 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2by1 h GLN 442 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 2by1 h GLN 442 CO 0.00 0.08 0.00 1.05 0.09 0.00 0.00 178.83 180.05 2by1 h GLU 443 N 0.00 0.00 -0.08 0.06 9.09 -1.90 -2.69 114.58 119.06 2by1 h GLU 443 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2by1 h GLU 443 Cb 0.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.35 2by1 h GLU 443 CO 0.01 0.00 0.00 -2.67 0.05 0.00 0.00 179.01 176.40 2by1 n TRP 444 N -2.92 0.30 -3.71 2.06 2.14 -0.90 -2.15 117.44 112.26 2by1 n TRP 444 Ca 0.00 -0.95 -0.28 0.00 2.07 0.00 0.00 57.50 58.34 2by1 n TRP 444 Cb 0.26 -0.20 0.03 0.00 -0.81 0.00 0.00 31.31 30.59 2by1 n TRP 444 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2by1 n ALA 445 N -1.12 -2.38 -1.57 -1.67 0.00 -1.01 -4.31 120.51 108.45 2by1 n ALA 445 Ca 0.17 -0.22 -0.43 0.00 0.00 0.00 0.00 53.44 52.97 2by1 n ALA 445 Cb 0.71 -3.46 -0.00 0.00 0.00 0.00 0.00 19.45 16.71 2by1 n ALA 445 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2by1 n ALA 446 N -4.19 -0.30 0.91 0.00 0.00 -0.68 -4.89 120.51 111.37 2by1 n ALA 446 Ca -0.16 0.29 0.13 0.00 0.00 0.00 0.00 53.44 53.70 2by1 n ALA 446 Cb 0.62 -2.00 0.51 0.00 0.00 0.00 0.00 19.45 18.58 2by1 n ALA 446 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2by1 n SER 447 N 0.94 0.25 -4.88 0.00 3.41 -1.26 -4.87 113.62 107.20 2by1 n SER 447 Ca 0.10 0.40 -0.33 0.00 -0.26 0.00 0.00 58.87 58.77 2by1 n SER 447 Cb 0.36 -0.43 -0.05 0.00 -0.26 0.00 0.00 64.21 63.83 2by1 n SER 447 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2by1 s THR 448 N -3.03 5.18 1.01 6.66 -4.23 -1.26 -5.07 115.64 114.89 2by1 s THR 448 Ca 0.13 0.21 -0.16 0.00 -1.18 0.00 0.00 61.69 60.68 2by1 s THR 448 Cb 0.17 -3.62 0.21 0.00 1.34 0.00 0.00 72.50 70.60 2by1 s THR 448 CO 0.57 0.21 1.26 -2.16 -0.54 0.00 0.00 174.62 173.96 2by1 s PRO 449 N -2.17 0.32 -0.34 3.99 0.04 -1.26 -4.80 135.00 130.78 2by1 s PRO 449 Ca 0.35 -0.27 0.01 0.00 0.04 0.00 0.00 61.00 61.12 2by1 s PRO 449 Cb -0.13 -1.80 0.11 0.00 0.04 0.00 0.00 34.50 32.72 2by1 s PRO 449 CO 0.20 -2.65 0.12 0.12 0.04 0.00 0.00 177.00 174.83 2by1 s PHE 450 N -3.65 2.18 0.32 0.56 5.36 -0.23 -4.33 117.98 118.20 2by1 s PHE 450 Ca 0.72 -2.13 0.04 0.00 -0.96 0.00 0.00 56.93 54.59 2by1 s PHE 450 Cb -0.06 -2.00 -0.02 0.00 -0.34 0.00 0.00 43.02 40.60 2by1 s PHE 450 CO 0.53 -0.87 0.48 -0.65 -1.46 0.00 0.00 175.22 173.25 2by1 s GLN 451 N 1.21 3.33 -0.11 10.12 -0.21 -1.26 -3.31 119.66 129.43 2by1 s GLN 451 Ca 0.12 -0.67 -0.30 0.00 0.02 0.00 0.00 55.36 54.53 2by1 s GLN 451 Cb -0.19 -2.77 -0.02 0.00 1.00 0.00 0.00 33.01 31.03 2by1 s GLN 451 CO -0.17 0.18 1.21 0.12 -2.12 0.00 0.00 175.29 174.52 2by1 s PHE 452 N -2.19 3.06 0.06 0.91 5.36 -1.26 -4.95 117.98 118.97 2by1 s PHE 452 Ca 0.40 1.15 0.04 0.00 -0.96 0.00 0.00 56.93 57.56 2by1 s PHE 452 Cb -0.09 -3.44 -0.03 0.00 -0.34 0.00 0.00 43.02 39.11 2by1 s PHE 452 CO 0.33 -1.42 -0.12 -0.59 -1.46 0.00 0.00 175.22 171.96 2by1 s PHE 453 N 2.79 1.05 0.29 10.12 -0.12 -1.26 -4.21 117.98 126.65 2by1 s PHE 453 Ca 0.55 -0.46 -0.08 0.00 -0.05 0.00 0.00 56.93 56.89 2by1 s PHE 453 Cb -0.23 -0.60 -0.00 0.00 -0.63 0.00 0.00 43.02 41.56 2by1 s PHE 453 CO 0.18 0.02 0.47 -1.54 -0.05 0.00 0.00 175.22 174.30 2by1 s SER 454 N -1.63 0.32 -0.35 1.98 1.04 0.10 -3.82 113.70 111.34 2by1 s SER 454 Ca -0.04 -1.19 0.14 0.00 0.48 0.00 0.00 55.95 55.34 2by1 s SER 454 Cb -0.10 0.62 0.43 0.00 0.10 0.00 0.00 66.02 67.07 2by1 s SER 454 CO 0.02 -1.22 1.17 -0.67 0.98 0.00 0.00 173.24 173.52 2by1 n ASP 455 N -0.84 -0.19 -4.81 7.02 2.03 -1.21 -4.15 116.55 114.40 2by1 n ASP 455 Ca -0.01 -2.53 -0.32 0.00 0.52 0.00 0.00 54.79 52.45 2by1 n ASP 455 Cb 0.62 0.22 0.01 0.00 -0.72 0.00 0.00 41.12 41.25 2by1 n ASP 455 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2by1 s HIS 456 N -1.52 3.08 0.42 -0.67 3.76 -1.26 -3.92 115.29 115.17 2by1 s HIS 456 Ca 0.24 1.49 -0.08 0.00 -0.15 0.00 0.00 55.06 56.55 2by1 s HIS 456 Cb 0.42 -2.95 -0.05 0.00 1.11 0.00 0.00 32.58 31.11 2by1 s HIS 456 CO -0.03 -1.04 0.76 0.00 -0.85 0.00 0.00 174.74 173.58 2by1 s ALA 457 N -2.59 3.39 0.00 -1.40 0.00 -1.26 -4.02 121.76 115.87 2by1 s ALA 457 Ca 0.62 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.25 2by1 s ALA 457 Cb -0.15 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.34 2by1 s ALA 457 CO 0.40 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.46 2by1 n GLY 458 N -1.58 2.63 0.26 0.00 0.00 -1.26 -1.78 105.19 103.45 2by1 n GLY 458 Ca 0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 46.02 45.73 2by1 n GLY 458 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2by1 h GLU 459 N 0.00 0.59 -0.53 1.61 5.08 -1.99 -2.32 114.58 117.02 2by1 h GLU 459 Ca 0.00 -0.19 0.04 0.00 -1.00 0.00 0.00 59.36 58.21 2by1 h GLU 459 Cb 0.00 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 2by1 h GLU 459 CO 0.00 0.72 0.28 1.25 -1.00 0.00 0.00 179.01 180.26 2by1 h LEU 460 N 0.54 0.42 -0.73 1.33 5.85 -1.89 0.00 115.31 120.83 2by1 h LEU 460 Ca 0.09 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2by1 h LEU 460 Cb 0.57 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 2by1 h LEU 460 CO 0.04 0.29 0.47 1.23 -0.34 0.00 0.00 178.44 180.12 2by1 h GLY 461 N 0.55 1.04 1.31 3.75 0.00 -0.82 -1.09 103.07 107.81 2by1 h GLY 461 Ca 0.23 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 2by1 h GLY 461 CO -0.15 0.40 0.08 1.46 0.00 0.00 0.00 176.54 178.33 2by1 h GLN 462 N 0.99 0.86 -0.60 4.80 4.20 -1.04 -2.28 115.11 122.04 2by1 h GLN 462 Ca 0.27 -0.20 -0.09 0.00 0.06 0.00 0.00 58.65 58.68 2by1 h GLN 462 Cb -0.08 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 2by1 h GLN 462 CO -0.05 0.81 0.01 0.00 -0.67 0.00 0.00 178.83 178.92 2by1 h ALA 463 N 1.27 0.88 0.03 3.87 0.00 -0.69 -1.26 119.26 123.36 2by1 h ALA 463 Ca 0.17 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2by1 h ALA 463 Cb 0.38 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2by1 h ALA 463 CO 0.01 0.66 -0.01 0.28 0.00 0.00 0.00 179.25 180.19 2by1 h VAL 464 N 0.95 1.02 -0.62 0.00 2.07 -0.85 0.13 116.25 118.96 2by1 h VAL 464 Ca 0.17 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.62 2by1 h VAL 464 Cb 0.54 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 2by1 h VAL 464 CO 0.03 0.03 0.33 0.28 0.02 0.00 0.00 177.57 178.26 2by1 h SER 465 N -0.09 0.48 -0.56 0.57 0.02 -1.28 -1.73 113.55 110.96 2by1 h SER 465 Ca -0.00 0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.90 2by1 h SER 465 Cb 0.08 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 2by1 h SER 465 CO 0.01 0.32 0.04 -0.08 -1.14 0.00 0.00 176.83 175.97 2by1 h GLU 466 N 0.62 0.97 -0.52 3.45 4.57 -1.02 -2.53 114.58 120.11 2by1 h GLU 466 Ca 0.28 -0.29 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 2by1 h GLU 466 Cb 0.18 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 2by1 h GLU 466 CO -0.18 0.95 0.18 0.78 -1.18 0.00 0.00 179.01 179.57 2by1 h GLY 467 N 0.85 0.80 0.93 1.92 0.00 -0.32 -2.11 103.07 105.15 2by1 h GLY 467 Ca 0.16 -0.41 -0.14 0.00 0.00 0.00 0.00 47.33 46.94 2by1 h GLY 467 CO 0.02 0.39 -0.43 -0.09 0.00 0.00 0.00 176.54 176.43 2by1 h ARG 468 N 0.74 0.61 -0.22 4.80 9.65 -1.12 -1.94 114.38 126.90 2by1 h ARG 468 Ca 0.17 -0.42 0.02 0.00 -1.10 0.00 0.00 59.98 58.65 2by1 h ARG 468 Cb 0.18 0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.80 2by1 h ARG 468 CO -0.01 1.03 0.10 -0.22 2.80 0.00 0.00 179.97 183.67 2by1 h LYS 469 N 0.27 0.21 -0.45 0.20 3.64 -1.35 -3.09 116.57 116.01 2by1 h LYS 469 Ca -0.00 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 2by1 h LYS 469 Cb 1.04 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.80 2by1 h LYS 469 CO 0.09 0.14 -0.02 0.87 -2.27 0.00 0.00 179.45 178.26 2by1 h LYS 470 N 0.22 0.80 -0.72 1.90 1.57 -1.36 -3.07 116.57 115.91 2by1 h LYS 470 Ca 0.09 -0.27 0.10 0.00 -1.87 0.00 0.00 60.65 58.70 2by1 h LYS 470 Cb 0.03 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.23 2by1 h LYS 470 CO -0.07 0.88 0.48 1.49 -0.57 0.00 0.00 179.45 181.65 2by1 h GLU 471 N 0.65 0.60 0.00 3.15 4.81 -1.32 -3.52 114.58 118.95 2by1 h GLU 471 Ca 0.12 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2by1 h GLU 471 Cb 0.53 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2by1 h GLU 471 CO 0.03 0.40 0.00 1.19 -0.73 0.00 0.00 179.01 179.89 2by1 n PHE 472 N -4.49 0.00 -2.72 0.92 3.01 -1.16 -5.12 117.46 107.90 2by1 n PHE 472 Ca 0.12 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.16 2by1 n PHE 472 Cb 0.34 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.78 2by1 n PHE 472 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2by1 s ASP 482 N 0.26 7.27 0.03 4.37 1.01 -1.26 -5.02 116.67 123.33 2by1 s ASP 482 Ca 0.00 1.55 -0.30 0.00 0.71 0.00 0.00 52.55 54.51 2by1 s ASP 482 Cb 0.00 -2.55 -0.06 0.00 1.01 0.00 0.00 42.92 41.32 2by1 s ASP 482 CO 0.00 -0.35 1.34 -0.69 0.21 0.00 0.00 175.17 175.68 2by1 s VAL 483 N 1.54 3.75 0.27 -1.27 1.01 -1.26 -4.96 120.40 119.48 2by1 s VAL 483 Ca 0.49 1.18 -0.30 0.00 0.00 0.00 0.00 61.98 63.35 2by1 s VAL 483 Cb -0.19 -3.76 -0.11 0.00 0.00 0.00 0.00 36.38 32.32 2by1 s VAL 483 CO 0.22 0.03 1.58 -2.16 0.00 0.00 0.00 175.10 174.77 2by1 s PRO 484 N 1.90 4.15 -0.09 2.72 0.04 -1.26 -4.91 135.00 137.55 2by1 s PRO 484 Ca 0.62 2.53 -0.30 0.00 0.04 0.00 0.00 61.00 63.90 2by1 s PRO 484 Cb -0.31 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 2by1 s PRO 484 CO 0.27 -0.61 1.57 0.34 0.04 0.00 0.00 177.00 178.61 2by1 s ASP 485 N 0.56 6.70 0.57 6.66 -1.08 -1.26 -4.88 116.67 123.94 2by1 s ASP 485 Ca 0.64 2.07 0.25 0.00 -0.52 0.00 0.00 52.55 54.99 2by1 s ASP 485 Cb -0.47 -2.53 1.64 0.00 -1.46 0.00 0.00 42.92 40.09 2by1 s ASP 485 CO 0.45 -0.92 2.22 1.55 0.52 0.00 0.00 175.17 178.99 2by1 h PRO 486 N 9.37 0.00 0.00 4.34 0.13 -1.91 -1.46 132.00 142.46 2by1 h PRO 486 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2by1 h PRO 486 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2by1 h PRO 486 CO 0.96 0.01 -0.11 1.04 -0.23 0.00 0.00 178.00 179.67 2by1 n GLN 487 N -4.05 0.09 -2.58 0.86 1.13 -1.26 -0.72 117.38 110.85 2by1 n GLN 487 Ca -0.03 0.06 -0.41 0.00 -1.94 0.00 0.00 57.00 54.68 2by1 n GLN 487 Cb 0.09 -1.59 -0.04 0.00 0.11 0.00 0.00 30.24 28.81 2by1 n GLN 487 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2by1 s ALA 488 N -3.04 3.30 0.32 -1.58 0.00 -0.55 -4.85 121.76 115.36 2by1 s ALA 488 Ca 0.12 0.71 0.09 0.00 0.00 0.00 0.00 51.96 52.89 2by1 s ALA 488 Cb 0.17 -3.35 0.88 0.00 0.00 0.00 0.00 23.12 20.81 2by1 s ALA 488 CO 0.58 -0.22 1.72 0.93 0.00 0.00 0.00 175.76 178.78 2by1 h GLU 489 N 5.92 0.54 -0.51 0.00 5.08 -1.89 -1.27 114.58 122.46 2by1 h GLU 489 Ca -0.43 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 57.95 2by1 h GLU 489 Cb 1.21 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 2by1 h GLU 489 CO 0.75 0.36 0.34 0.37 -1.00 0.00 0.00 179.01 179.83 2by1 h GLN 490 N 0.56 0.50 -0.58 2.33 5.75 -1.93 -1.21 115.11 120.53 2by1 h GLN 490 Ca 0.64 -0.03 -0.09 0.00 -0.15 0.00 0.00 58.65 59.02 2by1 h GLN 490 Cb 1.23 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.64 2by1 h GLN 490 CO -0.49 0.33 -0.00 1.15 -2.65 0.00 0.00 178.83 177.17 2by1 h THR 491 N 0.51 1.26 0.28 2.39 2.02 -1.48 0.37 112.91 118.26 2by1 h THR 491 Ca 0.21 -1.13 -0.01 0.00 0.77 0.00 0.00 66.41 66.25 2by1 h THR 491 Cb 0.20 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 2by1 h THR 491 CO -0.06 0.41 -0.13 0.15 0.37 0.00 0.00 175.52 176.26 2by1 h PHE 492 N 0.93 -0.34 -0.58 3.16 3.57 -1.46 -3.08 116.94 119.14 2by1 h PHE 492 Ca 0.17 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 2by1 h PHE 492 Cb 0.54 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 2by1 h PHE 492 CO 0.04 -0.12 0.23 -0.07 -2.23 0.00 0.00 178.31 176.16 2by1 h LEU 493 N -0.52 0.77 -0.88 0.59 3.38 -1.04 -1.25 115.31 116.37 2by1 h LEU 493 Ca -0.04 -0.10 0.22 0.00 0.09 0.00 0.00 57.88 58.06 2by1 h LEU 493 Cb 0.38 -0.20 -0.13 0.00 0.09 0.00 0.00 40.66 40.81 2by1 h LEU 493 CO 0.06 0.70 0.34 0.78 0.09 0.00 0.00 178.44 180.41 2by1 h ASN 494 N 0.84 0.23 0.34 -0.43 2.35 -0.27 -2.25 115.58 116.39 2by1 h ASN 494 Ca 0.20 0.17 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 2by1 h ASN 494 Cb 0.17 0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.71 2by1 h ASN 494 CO -0.02 -0.05 -0.06 -1.20 -1.65 0.00 0.00 177.43 174.45 2by1 n SER 495 N -5.10 0.33 -4.75 5.81 7.64 -0.48 -4.36 113.62 112.71 2by1 n SER 495 Ca 0.22 -0.57 -0.41 0.00 1.01 0.00 0.00 58.87 59.11 2by1 n SER 495 Cb 0.66 -0.11 -0.02 0.00 -1.01 0.00 0.00 64.21 63.72 2by1 n SER 495 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2by1 s LYS 496 N -2.41 4.32 0.35 1.43 -0.14 -0.85 -4.83 119.74 117.61 2by1 s LYS 496 Ca 0.32 2.22 -0.28 0.00 -1.36 0.00 0.00 55.97 56.87 2by1 s LYS 496 Cb 0.20 -3.12 -0.11 0.00 -1.68 0.00 0.00 37.83 33.13 2by1 s LYS 496 CO 0.45 -0.33 1.39 -0.51 -0.76 0.00 0.00 175.35 175.59 2by1 s LEU 497 N -0.62 4.37 -0.51 3.17 1.43 -0.64 -4.88 118.68 121.00 2by1 s LEU 497 Ca 0.56 2.86 -0.12 0.00 -1.03 0.00 0.00 54.13 56.40 2by1 s LEU 497 Cb -0.40 -3.66 0.13 0.00 0.03 0.00 0.00 46.19 42.28 2by1 s LEU 497 CO 0.44 -0.70 0.42 0.21 0.23 0.00 0.00 176.35 176.95 2by1 s ASN 498 N -0.33 5.94 0.31 2.29 3.84 -1.26 -4.76 114.94 120.96 2by1 s ASN 498 Ca 0.51 -1.87 0.07 0.00 0.21 0.00 0.00 52.86 51.78 2by1 s ASN 498 Cb -0.43 -2.10 0.50 0.00 -0.55 0.00 0.00 41.25 38.66 2by1 s ASN 498 CO 0.58 -0.77 1.73 -0.50 -2.79 0.00 0.00 177.10 175.34 2by1 h TRP 499 N 8.65 0.27 0.00 0.43 4.06 -1.95 -3.09 115.95 124.32 2by1 h TRP 499 Ca -0.25 -0.07 -0.09 0.00 2.06 0.00 0.00 58.89 60.54 2by1 h TRP 499 Cb 1.08 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 29.17 2by1 h TRP 499 CO 0.68 0.58 -0.44 0.00 -3.56 0.00 0.00 178.44 175.71 2by1 h ALA 500 N 1.41 1.09 0.00 1.49 0.00 -2.04 -3.16 119.26 118.05 2by1 h ALA 500 Ca 0.02 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 2by1 h ALA 500 Cb 0.76 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2by1 h ALA 500 CO 0.06 0.55 -0.12 1.05 0.00 0.00 0.00 179.25 180.78 2by1 h GLU 501 N 0.00 0.00 0.00 0.00 4.11 -1.95 -2.74 114.58 114.00 2by1 h GLU 501 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2by1 h GLU 501 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2by1 h GLU 501 CO 0.06 0.12 0.00 2.89 0.07 0.00 0.00 179.01 182.15 2by1 n ARG 502 N -3.35 0.17 0.12 1.06 1.85 -1.19 -2.48 116.66 112.83 2by1 n ARG 502 Ca -0.00 0.54 0.13 0.00 -1.00 0.00 0.00 57.85 57.52 2by1 n ARG 502 Cb 0.33 -1.93 0.43 0.00 -1.05 0.00 0.00 32.46 30.24 2by1 n ARG 502 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2by1 n GLU 503 N -2.28 0.24 -4.21 2.89 1.02 -1.03 -2.93 120.64 114.35 2by1 n GLU 503 Ca 0.00 0.29 -0.12 0.00 -0.02 0.00 0.00 57.16 57.31 2by1 n GLU 503 Cb 0.13 -1.83 -0.10 0.00 -0.02 0.00 0.00 31.44 29.61 2by1 n GLU 503 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2by1 s GLY 504 N -3.58 1.04 0.00 0.62 0.00 -1.04 -4.78 107.32 99.59 2by1 s GLY 504 Ca 0.09 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.31 2by1 s GLY 504 CO 0.53 -1.49 0.00 0.61 0.00 0.00 0.00 173.10 172.75 2by1 n GLY 505 N -0.16 2.47 0.26 0.20 0.00 -1.26 -1.61 105.19 105.09 2by1 n GLY 505 Ca -0.08 -0.42 0.16 0.00 0.00 0.00 0.00 46.02 45.67 2by1 n GLY 505 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2by1 h GLU 506 N 0.00 0.00 0.01 1.61 4.39 -1.96 -2.40 114.58 116.23 2by1 h GLU 506 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2by1 h GLU 506 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2by1 h GLU 506 CO 0.00 0.00 -0.00 0.45 -1.16 0.00 0.00 179.01 178.30 2by1 h HIS 507 N 0.00 -0.01 -0.85 4.33 3.86 -1.63 -0.88 115.15 119.97 2by1 h HIS 507 Ca 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2by1 h HIS 507 Cb 0.58 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.02 2by1 h HIS 507 CO 0.00 0.31 0.53 0.00 0.86 0.00 0.00 177.93 179.63 2by1 h ALA 508 N 0.65 1.08 -0.68 2.45 0.00 -1.10 -0.51 119.26 121.15 2by1 h ALA 508 Ca -0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2by1 h ALA 508 Cb 0.33 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2by1 h ALA 508 CO 0.00 0.52 0.26 -0.09 0.00 0.00 0.00 179.25 179.94 2by1 h ARG 509 N 1.16 1.02 -0.32 0.00 2.43 -1.30 -0.43 114.38 116.93 2by1 h ARG 509 Ca 0.31 -0.18 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 2by1 h ARG 509 Cb -0.08 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 2by1 h ARG 509 CO -0.06 0.84 -0.06 1.15 -1.51 0.00 0.00 179.97 180.32 2by1 h THR 510 N 0.99 1.28 -0.88 0.20 2.02 -0.86 -2.57 112.91 113.08 2by1 h THR 510 Ca 0.23 -1.10 -0.00 0.00 0.77 0.00 0.00 66.41 66.31 2by1 h THR 510 Cb 0.21 1.34 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 2by1 h THR 510 CO -0.02 0.35 0.54 0.25 0.37 0.00 0.00 175.52 177.02 2by1 h LEU 511 N 0.38 1.05 -0.91 2.58 5.85 -0.57 -0.67 115.31 123.02 2by1 h LEU 511 Ca 0.08 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2by1 h LEU 511 Cb 0.55 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 2by1 h LEU 511 CO 0.03 0.80 0.52 -0.09 -0.34 0.00 0.00 178.44 179.36 2by1 h ARG 512 N 1.21 1.26 -0.37 1.25 2.43 -1.00 -0.41 114.38 118.76 2by1 h ARG 512 Ca 0.32 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 2by1 h ARG 512 Cb -0.07 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.21 2by1 h ARG 512 CO -0.06 0.90 0.16 1.25 -1.51 0.00 0.00 179.97 180.71 2by1 h LEU 513 N 1.27 0.50 -0.79 3.80 5.85 -1.01 -0.88 115.31 124.05 2by1 h LEU 513 Ca 0.32 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.90 2by1 h LEU 513 Cb -0.01 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 2by1 h LEU 513 CO -0.06 0.51 0.52 1.88 -0.34 0.00 0.00 178.44 180.95 2by1 h TYR 514 N 0.45 1.00 -0.89 1.25 -1.99 -0.69 0.78 116.97 116.89 2by1 h TYR 514 Ca 0.12 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.85 2by1 h TYR 514 Cb 0.16 -0.34 -0.04 0.00 2.00 0.00 0.00 36.73 38.51 2by1 h TYR 514 CO -0.01 0.64 0.46 0.00 -0.00 0.00 0.00 178.16 179.26 2by1 h ARG 515 N 1.07 1.25 -0.29 4.88 3.08 -0.94 -0.39 114.38 123.05 2by1 h ARG 515 Ca 0.29 -0.16 -0.08 0.00 0.07 0.00 0.00 59.98 60.09 2by1 h ARG 515 Cb -0.11 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.70 2by1 h ARG 515 CO -0.06 0.93 -0.15 -0.44 -1.07 0.00 0.00 179.97 179.18 2by1 h ASP 516 N 1.25 0.63 -0.47 7.04 3.32 -0.50 -1.05 116.42 126.63 2by1 h ASP 516 Ca 0.31 -0.41 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 2by1 h ASP 516 Cb 0.06 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 2by1 h ASP 516 CO -0.05 0.90 0.24 -0.07 -1.72 0.00 0.00 179.24 178.55 2by1 h LEU 517 N 0.35 0.60 -0.97 1.55 3.38 -0.69 -1.08 115.31 118.44 2by1 h LEU 517 Ca 0.06 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 2by1 h LEU 517 Cb 0.67 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2by1 h LEU 517 CO 0.04 0.54 -0.46 -0.07 0.09 0.00 0.00 178.44 178.58 2by1 h LEU 518 N 0.62 0.13 -0.29 1.67 3.38 -0.92 -0.73 115.31 119.16 2by1 h LEU 518 Ca 0.16 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 2by1 h LEU 518 Cb 0.08 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2by1 h LEU 518 CO -0.02 0.57 -0.04 -0.09 0.09 0.00 0.00 178.44 178.95 2by1 h ARG 519 N 0.10 0.55 -0.70 1.13 2.43 -1.04 -2.25 114.38 114.60 2by1 h ARG 519 Ca 0.00 -0.20 0.03 0.00 -0.81 0.00 0.00 59.98 59.01 2by1 h ARG 519 Cb 0.85 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.32 2by1 h ARG 519 CO 0.07 0.72 0.44 -0.07 -1.51 0.00 0.00 179.97 179.62 2by1 h LEU 520 N 0.32 0.73 -0.80 3.80 3.38 -0.90 0.15 115.31 122.00 2by1 h LEU 520 Ca 0.08 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.08 2by1 h LEU 520 Cb 0.50 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 2by1 h LEU 520 CO 0.02 0.51 0.51 -0.09 0.09 0.00 0.00 178.44 179.48 2by1 h ARG 521 N 0.87 0.96 -0.30 1.13 2.43 -1.06 0.24 114.38 118.65 2by1 h ARG 521 Ca 0.28 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 59.26 2by1 h ARG 521 Cb -0.00 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.33 2by1 h ARG 521 CO -0.10 0.63 -0.33 -0.09 -1.51 0.00 0.00 179.97 178.57 2by1 h ARG 522 N 0.99 0.75 0.00 0.20 2.43 -0.90 -3.38 114.38 114.47 2by1 h ARG 522 Ca 0.32 -0.41 -0.26 0.00 -0.81 0.00 0.00 59.98 58.82 2by1 h ARG 522 Cb 0.02 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.54 2by1 h ARG 522 CO -0.12 1.03 -2.11 0.39 -1.51 0.00 0.00 179.97 177.66 2by1 n GLU 523 N -4.21 0.67 -2.55 0.20 1.02 0.48 -4.93 120.64 111.32 2by1 n GLU 523 Ca -0.04 0.01 -0.43 0.00 -0.02 0.00 0.00 57.16 56.69 2by1 n GLU 523 Cb 0.50 -1.59 -0.02 0.00 -0.02 0.00 0.00 31.44 30.31 2by1 n GLU 523 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2by1 s ASP 524 N -5.39 7.05 0.44 1.62 2.15 0.81 -4.91 116.67 118.44 2by1 s ASP 524 Ca -0.08 1.57 0.18 0.00 0.43 0.00 0.00 52.55 54.65 2by1 s ASP 524 Cb 0.08 -2.54 1.00 0.00 -0.30 0.00 0.00 42.92 41.16 2by1 s ASP 524 CO 0.84 -0.67 1.93 1.55 -0.17 0.00 0.00 175.17 178.66 2by1 h PRO 525 N 7.70 0.00 0.13 4.34 0.13 -1.91 -2.49 132.00 139.90 2by1 h PRO 525 Ca -0.25 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.58 2by1 h PRO 525 Cb 1.10 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.26 2by1 h PRO 525 CO 0.95 0.25 -1.27 0.28 -0.23 0.00 0.00 178.00 177.97 2by1 h VAL 526 N 0.00 1.28 0.00 1.56 2.07 -1.91 -3.21 116.25 116.04 2by1 h VAL 526 Ca -0.00 -2.48 0.00 0.00 0.82 0.00 0.00 66.70 65.04 2by1 h VAL 526 Cb 0.49 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 2by1 h VAL 526 CO 0.03 0.76 0.00 0.18 0.02 0.00 0.00 177.57 178.56 2by1 n LEU 527 N -3.78 0.52 0.21 2.57 4.77 -1.00 -1.15 117.00 119.14 2by1 n LEU 527 Ca -0.14 0.68 0.15 0.00 -0.03 0.00 0.00 56.01 56.67 2by1 n LEU 527 Cb 1.00 -0.68 0.73 0.00 -2.33 0.00 0.00 43.42 42.14 2by1 n LEU 527 CO 0.59 -0.71 0.94 0.45 -1.33 0.00 0.00 177.39 177.32 2by1 h HIS 528 N 0.00 0.00 -1.92 -1.77 3.86 -1.46 -3.45 115.15 110.40 2by1 h HIS 528 Ca 0.00 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.56 2by1 h HIS 528 Cb 0.17 0.00 0.09 0.00 1.06 0.00 0.00 27.41 28.72 2by1 h HIS 528 CO 0.00 0.00 0.17 -1.71 0.86 0.00 0.00 177.93 177.25 2by1 n ASN 529 N -2.53 1.07 -0.82 2.45 5.15 -0.30 -4.91 115.26 115.36 2by1 n ASN 529 Ca -0.01 1.15 0.04 0.00 -0.60 0.00 0.00 54.58 55.16 2by1 n ASN 529 Cb 0.11 -1.20 0.07 0.00 -0.53 0.00 0.00 39.78 38.23 2by1 n ASN 529 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2by1 n ARG 530 N 1.49 0.53 -4.59 1.20 5.12 -1.26 -4.61 116.66 114.54 2by1 n ARG 530 Ca 0.14 -2.10 -0.33 0.00 -1.93 0.00 0.00 57.85 53.64 2by1 n ARG 530 Cb 0.25 -0.70 -0.16 0.00 -1.16 0.00 0.00 32.46 30.69 2by1 n ARG 530 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2by1 s GLN 531 N -1.12 3.17 0.49 5.56 -0.21 -1.26 -3.89 119.66 122.39 2by1 s GLN 531 Ca 0.25 -0.78 0.23 0.00 0.02 0.00 0.00 55.36 55.09 2by1 s GLN 531 Cb 0.26 -2.57 1.27 0.00 1.00 0.00 0.00 33.01 32.97 2by1 s GLN 531 CO -0.07 0.02 2.02 0.00 -2.12 0.00 0.00 175.29 175.14 2by1 h ARG 532 N 7.27 0.00 -0.67 2.91 3.08 -1.93 -1.78 114.38 123.26 2by1 h ARG 532 Ca -0.32 0.00 0.19 0.00 0.07 0.00 0.00 59.98 59.93 2by1 h ARG 532 Cb 1.19 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.22 2by1 h ARG 532 CO 0.56 0.16 0.55 1.49 -1.07 0.00 0.00 179.97 181.66 2by1 h GLU 533 N 0.00 0.00 -0.37 0.04 4.81 -1.99 -2.01 114.58 115.06 2by1 h GLU 533 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2by1 h GLU 533 Cb 0.38 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2by1 h GLU 533 CO 0.02 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.39 2by1 n ASN 534 N -4.07 3.42 -4.34 1.04 3.02 -0.67 -4.90 115.26 108.76 2by1 n ASN 534 Ca 0.13 -1.98 -0.34 0.00 -0.03 0.00 0.00 54.58 52.36 2by1 n ASN 534 Cb 0.80 -0.24 -0.14 0.00 -0.61 0.00 0.00 39.78 39.59 2by1 n ASN 534 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2by1 s LEU 535 N -1.48 2.75 0.16 3.41 2.96 -0.76 -1.77 118.68 123.96 2by1 s LEU 535 Ca 0.37 -0.36 0.06 0.00 -0.22 0.00 0.00 54.13 53.98 2by1 s LEU 535 Cb 0.22 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 45.22 2by1 s LEU 535 CO 0.31 0.10 -0.13 0.42 -1.32 0.00 0.00 176.35 175.73 2by1 s THR 536 N 0.77 1.43 0.06 3.68 -4.23 -0.24 -4.98 115.64 112.14 2by1 s THR 536 Ca -0.04 -2.05 -0.04 0.00 -1.18 0.00 0.00 61.69 58.38 2by1 s THR 536 Cb -0.15 -1.86 -0.03 0.00 1.34 0.00 0.00 72.50 71.80 2by1 s THR 536 CO 0.01 -0.62 0.05 0.42 -0.54 0.00 0.00 174.62 173.95 2by1 s THR 537 N -2.93 0.19 0.00 3.99 -4.23 -1.26 -0.38 115.64 111.02 2by1 s THR 537 Ca 0.17 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 2by1 s THR 537 Cb -0.00 -1.43 0.00 0.00 1.34 0.00 0.00 72.50 72.40 2by1 s THR 537 CO 0.04 -0.86 0.00 0.61 -0.54 0.00 0.00 174.62 173.86 2by1 n GLY 538 N 0.07 1.23 3.27 3.99 0.00 -0.53 -4.98 105.19 108.24 2by1 n GLY 538 Ca -0.15 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 44.89 2by1 n GLY 538 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2by1 s HIS 539 N -4.93 -0.13 -0.25 1.61 -3.43 -1.26 -1.44 115.29 105.47 2by1 s HIS 539 Ca 0.00 -0.06 -0.01 0.00 -0.80 0.00 0.00 55.06 54.19 2by1 s HIS 539 Cb 0.00 0.13 0.08 0.00 -1.43 0.00 0.00 32.58 31.36 2by1 s HIS 539 CO 0.00 -0.56 0.04 0.34 -2.00 0.00 0.00 174.74 172.56 2by1 s ASP 540 N -2.29 3.56 1.86 7.38 2.15 0.10 -4.99 116.67 124.44 2by1 s ASP 540 Ca -0.02 -1.23 0.00 0.00 0.43 0.00 0.00 52.55 51.73 2by1 s ASP 540 Cb 0.00 -0.83 0.00 0.00 -0.30 0.00 0.00 42.92 41.80 2by1 s ASP 540 CO -0.06 -0.34 0.00 0.61 -0.17 0.00 0.00 175.17 175.22 2by1 n GLY 541 N 4.89 4.10 0.88 2.66 0.00 -1.26 -1.41 105.19 115.04 2by1 n GLY 541 Ca -0.07 0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.16 2by1 n GLY 541 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2by1 n ASP 542 N 7.68 2.57 -4.65 1.61 8.00 -1.26 -4.60 116.55 125.89 2by1 n ASP 542 Ca 0.00 -1.93 -0.37 0.00 0.71 0.00 0.00 54.79 53.19 2by1 n ASP 542 Cb 0.00 -0.27 -0.09 0.00 -0.02 0.00 0.00 41.12 40.75 2by1 n ASP 542 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2by1 s VAL 543 N -1.47 5.28 0.04 2.53 1.01 -0.50 -0.88 120.40 126.41 2by1 s VAL 543 Ca 0.34 0.42 -0.15 0.00 0.00 0.00 0.00 61.98 62.58 2by1 s VAL 543 Cb 0.18 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.89 2by1 s VAL 543 CO 0.25 0.28 0.47 -0.22 0.00 0.00 0.00 175.10 175.88 2by1 s LEU 544 N 1.31 4.46 0.04 3.92 2.96 -0.39 -0.72 118.68 130.27 2by1 s LEU 544 Ca 0.13 1.04 0.06 0.00 -0.22 0.00 0.00 54.13 55.14 2by1 s LEU 544 Cb -0.14 -2.78 -0.02 0.00 0.50 0.00 0.00 46.19 43.75 2by1 s LEU 544 CO 0.07 0.28 -0.17 -1.66 -1.32 0.00 0.00 176.35 173.54 2by1 s TRP 545 N -1.16 1.51 -0.09 5.38 1.48 -0.52 -0.75 118.94 124.79 2by1 s TRP 545 Ca 0.27 -0.36 -0.00 0.00 -1.06 0.00 0.00 56.10 54.95 2by1 s TRP 545 Cb -0.17 -0.90 0.02 0.00 -1.16 0.00 0.00 33.47 31.27 2by1 s TRP 545 CO 0.16 0.06 -0.05 0.08 -4.06 0.00 0.00 176.95 173.14 2by1 s VAL 546 N -0.81 0.80 -0.08 -0.66 1.01 -0.14 -1.46 120.40 119.06 2by1 s VAL 546 Ca 0.04 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 61.89 2by1 s VAL 546 Cb -0.08 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 2by1 s VAL 546 CO 0.01 0.32 -0.19 -0.60 0.00 0.00 0.00 175.10 174.65 2by1 s ARG 547 N 1.61 2.86 -0.10 2.72 3.52 0.49 -0.76 118.95 129.30 2by1 s ARG 547 Ca 0.02 -0.79 0.03 0.00 -0.13 0.00 0.00 55.73 54.86 2by1 s ARG 547 Cb -0.13 -2.37 -0.01 0.00 -1.56 0.00 0.00 34.95 30.88 2by1 s ARG 547 CO -0.05 0.36 -0.22 0.99 -0.81 0.00 0.00 175.30 175.57 2by1 s THR 548 N -0.06 2.30 -0.09 4.11 2.01 0.21 -1.07 115.64 123.04 2by1 s THR 548 Ca -0.05 -0.94 -0.00 0.00 0.31 0.00 0.00 61.69 61.01 2by1 s THR 548 Cb -0.14 -1.89 0.02 0.00 0.01 0.00 0.00 72.50 70.50 2by1 s THR 548 CO 0.04 0.55 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.78 2by1 s VAL 549 N 0.24 0.79 0.27 3.82 1.01 -0.73 -1.06 120.40 124.74 2by1 s VAL 549 Ca -0.14 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 61.71 2by1 s VAL 549 Cb -0.17 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 2by1 s VAL 549 CO 0.07 0.32 0.16 0.35 0.00 0.00 0.00 175.10 176.00 2by1 n THR 550 N 4.81 0.00 0.24 3.92 -2.24 -0.25 -4.71 114.28 116.05 2by1 n THR 550 Ca -0.13 -1.74 0.15 0.00 -2.27 0.00 0.00 64.05 60.06 2by1 n THR 550 Cb 0.50 0.75 0.75 0.00 -2.10 0.00 0.00 70.33 70.24 2by1 n THR 550 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2by1 h GLY 551 N 1.33 0.00 1.49 3.38 0.00 -2.00 -1.63 103.07 105.64 2by1 h GLY 551 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.13 2by1 h GLY 551 CO 0.30 0.00 -0.27 0.00 0.00 0.00 0.00 176.54 176.57 2by1 n ALA 552 N -1.88 2.91 0.00 3.60 0.00 -1.26 -5.05 120.51 118.83 2by1 n ALA 552 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2by1 n ALA 552 Cb 0.08 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.24 2by1 n ALA 552 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2by1 n GLY 553 N 1.48 0.86 2.91 0.00 0.00 -0.61 -4.78 105.19 105.05 2by1 n GLY 553 Ca 0.06 -1.98 -0.14 0.00 0.00 0.00 0.00 46.02 43.95 2by1 n GLY 553 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2by1 s GLU 554 N -1.55 0.25 0.09 1.61 2.12 -1.26 -1.09 118.70 118.87 2by1 s GLU 554 Ca 0.00 -0.09 0.08 0.00 0.36 0.00 0.00 54.97 55.32 2by1 s GLU 554 Cb 0.00 -0.26 -0.03 0.00 0.26 0.00 0.00 34.13 34.10 2by1 s GLU 554 CO 0.00 0.05 -0.21 1.03 -0.54 0.00 0.00 175.26 175.59 2by1 s ARG 555 N 0.02 1.21 -0.03 4.30 1.81 -0.22 -4.42 118.95 121.61 2by1 s ARG 555 Ca 0.00 -1.12 0.01 0.00 -1.72 0.00 0.00 55.73 52.91 2by1 s ARG 555 Cb -0.02 -1.45 0.02 0.00 -0.45 0.00 0.00 34.95 33.05 2by1 s ARG 555 CO -0.00 0.35 -0.02 0.08 -0.68 0.00 0.00 175.30 175.02 2by1 s VAL 556 N -1.06 0.33 -0.22 3.52 1.01 -0.28 -0.62 120.40 123.07 2by1 s VAL 556 Ca 0.07 -0.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.91 2by1 s VAL 556 Cb -0.10 -0.38 -0.05 0.00 0.00 0.00 0.00 36.38 35.86 2by1 s VAL 556 CO 0.04 0.16 0.18 -0.22 0.00 0.00 0.00 175.10 175.26 2by1 s LEU 557 N 0.79 4.16 -0.07 3.92 2.96 0.06 -0.96 118.68 129.53 2by1 s LEU 557 Ca -0.09 0.21 0.05 0.00 -0.22 0.00 0.00 54.13 54.08 2by1 s LEU 557 Cb -0.12 -2.16 -0.01 0.00 0.50 0.00 0.00 46.19 44.40 2by1 s LEU 557 CO -0.01 0.09 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.13 2by1 s LEU 558 N 0.84 2.25 -0.13 -0.68 1.02 -0.15 -0.97 118.68 120.86 2by1 s LEU 558 Ca 0.09 -0.45 -0.00 0.00 0.02 0.00 0.00 54.13 53.79 2by1 s LEU 558 Cb -0.13 -1.44 0.03 0.00 0.02 0.00 0.00 46.19 44.67 2by1 s LEU 558 CO 0.03 0.24 -0.09 0.86 0.02 0.00 0.00 176.35 177.40 2by1 s TRP 559 N -0.10 1.74 -0.69 0.29 -0.00 0.07 -1.14 118.94 119.11 2by1 s TRP 559 Ca -0.04 -0.95 -0.24 0.00 -0.00 0.00 0.00 56.10 54.87 2by1 s TRP 559 Cb -0.14 -1.37 0.06 0.00 -0.00 0.00 0.00 33.47 32.02 2by1 s TRP 559 CO 0.04 -0.58 1.07 1.21 -0.00 0.00 0.00 176.95 178.69 2by1 s ASN 560 N 1.62 6.17 0.11 5.86 2.47 0.15 -1.26 114.94 130.07 2by1 s ASN 560 Ca 0.04 -0.83 0.27 0.00 0.42 0.00 0.00 52.86 52.76 2by1 s ASN 560 Cb -0.13 -2.46 0.95 0.00 -1.45 0.00 0.00 41.25 38.16 2by1 s ASN 560 CO -0.09 -1.56 1.81 0.18 -3.72 0.00 0.00 177.10 173.71 2by1 n LEU 561 N 8.23 0.46 0.00 3.21 7.99 -0.06 0.05 117.00 136.88 2by1 n LEU 561 Ca -0.01 0.51 -0.27 0.00 -0.01 0.00 0.00 56.01 56.23 2by1 n LEU 561 Cb 0.47 -0.38 0.22 0.00 -0.11 0.00 0.00 43.42 43.61 2by1 n LEU 561 CO 0.66 -0.09 0.56 0.61 -1.51 0.00 0.00 177.39 177.62 2by1 n GLY 562 N 1.40 -2.64 0.19 -0.72 0.00 -1.24 -4.70 105.19 97.48 2by1 n GLY 562 Ca 0.06 -1.51 0.10 0.00 0.00 0.00 0.00 46.02 44.67 2by1 n GLY 562 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2by1 n GLN 563 N -4.39 0.78 -4.16 1.61 1.13 -1.26 -3.59 117.38 107.49 2by1 n GLN 563 Ca 0.14 -0.39 -0.28 0.00 -1.94 0.00 0.00 57.00 54.53 2by1 n GLN 563 Cb 0.52 -1.44 -0.04 0.00 0.11 0.00 0.00 30.24 29.40 2by1 n GLN 563 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 2by1 s ASP 564 N -2.67 4.47 0.02 1.08 -4.77 -1.26 -4.68 116.67 108.86 2by1 s ASP 564 Ca 0.11 -1.32 -0.18 0.00 -3.30 0.00 0.00 52.55 47.86 2by1 s ASP 564 Cb 0.16 0.28 -0.06 0.00 -1.09 0.00 0.00 42.92 42.21 2by1 s ASP 564 CO 0.70 -0.94 0.53 -0.89 0.70 0.00 0.00 175.17 175.28 2by1 s THR 565 N -2.77 4.88 -0.08 2.11 2.01 -1.26 -3.01 115.64 117.52 2by1 s THR 565 Ca 0.27 1.11 0.02 0.00 0.31 0.00 0.00 61.69 63.41 2by1 s THR 565 Cb -0.00 -3.86 0.01 0.00 0.01 0.00 0.00 72.50 68.67 2by1 s THR 565 CO 0.16 0.51 -0.12 -0.13 -0.69 0.00 0.00 174.62 174.35 2by1 s ARG 566 N -0.74 1.80 0.13 4.92 1.81 -0.05 -4.98 118.95 121.84 2by1 s ARG 566 Ca 0.28 -0.43 -0.30 0.00 -1.72 0.00 0.00 55.73 53.56 2by1 s ARG 566 Cb -0.18 -1.53 -0.06 0.00 -0.45 0.00 0.00 34.95 32.72 2by1 s ARG 566 CO 0.17 -0.02 0.95 0.00 -0.68 0.00 0.00 175.30 175.72 2by1 s ALA 567 N 0.84 3.26 0.26 2.13 0.00 -1.26 -0.11 121.76 126.87 2by1 s ALA 567 Ca -0.11 0.58 -0.01 0.00 0.00 0.00 0.00 51.96 52.42 2by1 s ALA 567 Cb -0.15 -3.26 0.51 0.00 0.00 0.00 0.00 23.12 20.21 2by1 s ALA 567 CO 0.02 0.01 1.79 0.28 0.00 0.00 0.00 175.76 177.86 2by1 h VAL 568 N 3.90 0.83 -0.24 0.00 2.07 -1.44 -1.58 116.25 119.80 2by1 h VAL 568 Ca -0.43 -0.26 0.07 0.00 0.82 0.00 0.00 66.70 66.89 2by1 h VAL 568 Cb 1.21 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2by1 h VAL 568 CO 0.71 0.14 0.26 0.00 0.02 0.00 0.00 177.57 178.70 2by1 h ALA 569 N 1.53 1.87 -0.12 1.67 0.00 -1.93 -1.76 119.26 120.52 2by1 h ALA 569 Ca 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2by1 h ALA 569 Cb 0.54 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2by1 h ALA 569 CO -0.30 -0.38 0.00 0.39 0.00 0.00 0.00 179.25 178.95 2by1 n GLU 570 N -3.77 2.34 -2.56 0.00 1.02 -0.60 -4.89 120.64 112.19 2by1 n GLU 570 Ca 0.03 -1.97 -0.42 0.00 -0.02 0.00 0.00 57.16 54.78 2by1 n GLU 570 Cb 0.40 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.32 2by1 n GLU 570 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2by1 s VAL 571 N -1.88 4.47 -0.22 2.62 1.01 -0.66 -4.99 120.40 120.74 2by1 s VAL 571 Ca 0.31 1.77 -0.29 0.00 0.00 0.00 0.00 61.98 63.77 2by1 s VAL 571 Cb 0.21 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.46 2by1 s VAL 571 CO 0.31 0.05 1.07 -0.54 0.00 0.00 0.00 175.10 175.99 2by1 s LYS 572 N 1.70 4.25 0.03 2.72 1.02 -1.26 -5.03 119.74 123.17 2by1 s LYS 572 Ca 0.54 1.40 0.03 0.00 0.02 0.00 0.00 55.97 57.96 2by1 s LYS 572 Cb -0.23 -3.66 -0.02 0.00 -0.52 0.00 0.00 37.83 33.40 2by1 s LYS 572 CO 0.24 -0.64 -0.10 -0.51 -0.92 0.00 0.00 175.35 173.41 2by1 s LEU 573 N 3.25 2.16 0.00 3.17 1.43 -1.26 -4.65 118.68 122.77 2by1 s LEU 573 Ca 0.46 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 2by1 s LEU 573 Cb -0.16 -0.39 0.00 0.00 0.03 0.00 0.00 46.19 45.67 2by1 s LEU 573 CO 0.07 -0.03 0.70 -0.81 0.23 0.00 0.00 176.35 176.51 2by1 n PRO 574 N 2.02 0.97 -4.05 1.29 -0.04 -1.26 -4.79 135.00 129.14 2by1 n PRO 574 Ca -0.18 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.18 2by1 n PRO 574 Cb 0.55 -1.28 -0.06 0.00 -0.04 0.00 0.00 33.50 32.67 2by1 n PRO 574 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2by1 s PHE 575 N -1.43 0.58 -0.11 0.54 -0.12 -1.26 -5.13 117.98 111.05 2by1 s PHE 575 Ca 0.00 -0.90 -0.27 0.00 -0.05 0.00 0.00 56.93 55.70 2by1 s PHE 575 Cb 0.00 0.00 -0.02 0.00 -0.63 0.00 0.00 43.02 42.38 2by1 s PHE 575 CO 0.00 -0.92 0.90 0.99 -0.05 0.00 0.00 175.22 176.14 2by1 s THR 576 N -4.00 4.86 0.24 -4.49 2.01 -1.26 -5.00 115.64 108.00 2by1 s THR 576 Ca 0.27 1.81 -0.30 0.00 0.31 0.00 0.00 61.69 63.78 2by1 s THR 576 Cb 0.01 -4.21 -0.10 0.00 0.01 0.00 0.00 72.50 68.21 2by1 s THR 576 CO 0.10 0.06 1.43 0.54 -0.69 0.00 0.00 174.62 176.06 2by1 s VAL 577 N 1.80 2.72 0.74 3.82 0.11 -1.26 -4.98 120.40 123.35 2by1 s VAL 577 Ca 0.43 0.60 -0.16 0.00 -2.93 0.00 0.00 61.98 59.93 2by1 s VAL 577 Cb -0.18 -3.38 0.02 0.00 -1.53 0.00 0.00 36.38 31.31 2by1 s VAL 577 CO 0.17 0.09 1.03 -2.65 -3.33 0.00 0.00 175.10 170.41 2by1 n PRO 578 N 2.43 0.49 -0.06 1.54 -0.02 -1.26 -4.98 135.00 133.13 2by1 n PRO 578 Ca 0.07 0.23 -0.04 0.00 -2.02 0.00 0.00 63.50 61.74 2by1 n PRO 578 Cb 0.40 -2.29 -0.15 0.00 -0.02 0.00 0.00 33.50 31.45 2by1 n PRO 578 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2by1 n ARG 579 N -2.13 0.67 -3.17 -0.52 1.74 -1.18 -4.62 116.66 107.45 2by1 n ARG 579 Ca 0.13 -0.01 -0.39 0.00 -0.77 0.00 0.00 57.85 56.81 2by1 n ARG 579 Cb 0.50 -1.57 -0.05 0.00 -1.02 0.00 0.00 32.46 30.32 2by1 n ARG 579 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2by1 s ARG 580 N -2.78 4.35 -0.05 5.56 3.52 -0.49 -4.90 118.95 124.16 2by1 s ARG 580 Ca -0.08 0.65 -0.30 0.00 -0.13 0.00 0.00 55.73 55.87 2by1 s ARG 580 Cb 0.08 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 29.96 2by1 s ARG 580 CO 0.85 0.03 1.27 -1.17 -0.81 0.00 0.00 175.30 175.47 2by1 s LEU 581 N 0.97 4.28 -0.19 -0.88 1.98 -1.26 -0.71 118.68 122.88 2by1 s LEU 581 Ca 0.31 1.90 0.03 0.00 -2.89 0.00 0.00 54.13 53.48 2by1 s LEU 581 Cb -0.16 -3.56 -0.14 0.00 0.66 0.00 0.00 46.19 42.99 2by1 s LEU 581 CO 0.13 -0.64 -0.15 0.18 -1.89 0.00 0.00 176.35 173.98 2by1 n LEU 582 N 5.39 2.69 -3.66 -0.68 4.77 -0.11 -4.93 117.00 120.47 2by1 n LEU 582 Ca 0.12 -0.10 -0.14 0.00 -0.03 0.00 0.00 56.01 55.86 2by1 n LEU 582 Cb 0.45 -0.59 -0.08 0.00 -2.33 0.00 0.00 43.42 40.87 2by1 n LEU 582 CO 0.56 0.79 0.27 -0.22 -1.33 0.00 0.00 177.39 177.46 2by1 s LEU 583 N -6.06 -0.14 -0.06 2.23 0.20 -1.02 -4.99 118.68 108.84 2by1 s LEU 583 Ca -0.25 0.92 0.03 0.00 0.69 0.00 0.00 54.13 55.51 2by1 s LEU 583 Cb 0.07 1.99 0.01 0.00 -0.43 0.00 0.00 46.19 47.82 2by1 s LEU 583 CO 0.48 -0.32 -0.13 -2.28 -0.29 0.00 0.00 176.35 173.81 2by1 s HIS 584 N -0.23 1.45 -0.26 5.38 5.65 -1.26 -0.74 115.29 125.28 2by1 s HIS 584 Ca -0.04 -0.49 0.26 0.00 0.25 0.00 0.00 55.06 55.03 2by1 s HIS 584 Cb -0.03 -1.04 1.17 0.00 -1.18 0.00 0.00 32.58 31.50 2by1 s HIS 584 CO 0.03 -0.23 1.78 1.79 -0.65 0.00 0.00 174.74 177.46 2by1 h THR 585 N 5.75 0.00 -0.20 0.89 1.35 -1.49 -0.85 112.91 118.35 2by1 h THR 585 Ca -0.31 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 2by1 h THR 585 Cb 1.18 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 2by1 h THR 585 CO 0.48 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.13 2by1 n GLU 586 N -2.42 2.74 -1.43 4.72 -0.58 -1.26 -4.96 120.64 117.45 2by1 n GLU 586 Ca 0.01 -2.13 -0.10 0.00 -0.42 0.00 0.00 57.16 54.51 2by1 n GLU 586 Cb 0.19 -1.35 -0.04 0.00 -0.57 0.00 0.00 31.44 29.67 2by1 n GLU 586 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2by1 n GLY 587 N -0.16 0.96 3.77 0.62 0.00 -0.33 -4.99 105.19 105.06 2by1 n GLY 587 Ca 0.11 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 2by1 n GLY 587 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2by1 s ARG 588 N -3.11 2.81 -0.02 1.61 0.52 -1.26 -4.97 118.95 114.53 2by1 s ARG 588 Ca 0.00 1.46 0.11 0.00 -0.52 0.00 0.00 55.73 56.78 2by1 s ARG 588 Cb 0.00 -1.95 -0.23 0.00 0.52 0.00 0.00 34.95 33.30 2by1 s ARG 588 CO 0.00 -1.25 0.76 0.93 0.02 0.00 0.00 175.30 175.76 2by1 h GLU 589 N 0.15 0.01 -6.18 3.54 5.08 -1.97 -3.45 114.58 111.77 2by1 h GLU 589 Ca -0.47 -0.02 -0.49 0.00 -1.00 0.00 0.00 59.36 57.38 2by1 h GLU 589 Cb 1.25 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 2by1 h GLU 589 CO 0.54 0.60 -0.41 -0.51 -1.00 0.00 0.00 179.01 178.23 2by1 s ASP 590 N -6.22 6.33 -1.39 1.42 1.01 -1.26 -5.00 116.67 111.55 2by1 s ASP 590 Ca -0.04 0.16 -0.14 0.00 0.71 0.00 0.00 52.55 53.24 2by1 s ASP 590 Cb 0.08 -1.90 0.07 0.00 1.01 0.00 0.00 42.92 42.18 2by1 s ASP 590 CO 0.82 -0.05 2.03 0.18 0.21 0.00 0.00 175.17 178.36 2by1 n LEU 591 N -1.11 6.32 -3.68 1.23 4.77 -1.26 -4.84 117.00 118.42 2by1 n LEU 591 Ca -0.08 -4.17 -0.20 0.00 -0.03 0.00 0.00 56.01 51.53 2by1 n LEU 591 Cb 0.56 -1.65 -0.18 0.00 -2.33 0.00 0.00 43.42 39.81 2by1 n LEU 591 CO 0.47 0.91 -0.34 -0.89 -1.33 0.00 0.00 177.39 176.20 2by1 s THR 592 N 2.97 -0.09 -0.41 -5.08 2.01 -1.26 -0.97 115.64 112.81 2by1 s THR 592 Ca 0.47 0.41 -0.13 0.00 0.31 0.00 0.00 61.69 62.76 2by1 s THR 592 Cb 0.10 -0.16 0.04 0.00 0.01 0.00 0.00 72.50 72.50 2by1 s THR 592 CO -0.03 0.18 0.27 -0.76 -0.69 0.00 0.00 174.62 173.59 2by1 s LEU 593 N 2.12 5.04 1.07 4.42 1.43 0.84 -4.96 118.68 128.63 2by1 s LEU 593 Ca 0.04 -1.09 -0.12 0.00 -1.03 0.00 0.00 54.13 51.93 2by1 s LEU 593 Cb -0.12 -2.08 0.23 0.00 0.03 0.00 0.00 46.19 44.25 2by1 s LEU 593 CO -0.03 -0.47 1.06 -0.83 0.23 0.00 0.00 176.35 176.32 2by1 s GLY 594 N 1.83 1.58 -0.21 -3.19 0.00 -1.26 -0.87 107.32 105.21 2by1 s GLY 594 Ca 0.03 0.01 -0.39 0.00 0.00 0.00 0.00 44.72 44.37 2by1 s GLY 594 CO 0.07 0.63 1.69 0.00 0.00 0.00 0.00 173.10 175.49 2by1 n ALA 595 N -4.60 -0.26 -0.40 3.20 0.00 -1.16 -1.46 120.51 115.82 2by1 n ALA 595 Ca 0.05 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2by1 n ALA 595 Cb 0.54 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.78 2by1 n ALA 595 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2by1 n GLY 596 N 3.93 1.36 3.88 0.00 0.00 0.11 -4.68 105.19 109.78 2by1 n GLY 596 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 2by1 n GLY 596 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2by1 s GLU 597 N -0.31 3.71 0.13 1.61 2.02 -0.54 -3.83 118.70 121.51 2by1 s GLU 597 Ca 0.00 0.47 0.05 0.00 0.02 0.00 0.00 54.97 55.50 2by1 s GLU 597 Cb 0.00 -2.34 -0.04 0.00 0.10 0.00 0.00 34.13 31.85 2by1 s GLU 597 CO 0.00 -0.15 -0.11 0.00 0.02 0.00 0.00 175.26 175.02 2by1 s ALA 598 N -2.57 1.40 -0.01 5.21 0.00 -1.26 -0.67 121.76 123.86 2by1 s ALA 598 Ca 0.51 -1.41 -0.03 0.00 0.00 0.00 0.00 51.96 51.03 2by1 s ALA 598 Cb -0.10 0.03 -0.00 0.00 0.00 0.00 0.00 23.12 23.04 2by1 s ALA 598 CO 0.37 -0.06 0.06 0.54 0.00 0.00 0.00 175.76 176.68 2by1 s VAL 599 N -3.00 0.05 -0.18 0.00 0.11 -0.29 -1.08 120.40 116.00 2by1 s VAL 599 Ca 0.14 -0.39 -0.05 0.00 -2.93 0.00 0.00 61.98 58.76 2by1 s VAL 599 Cb 0.01 -0.22 -0.03 0.00 -1.53 0.00 0.00 36.38 34.61 2by1 s VAL 599 CO 0.01 -0.21 -0.01 -0.22 -3.33 0.00 0.00 175.10 171.33 2by1 s LEU 600 N -0.66 3.26 0.25 2.54 2.96 0.09 -0.97 118.68 126.14 2by1 s LEU 600 Ca -0.07 -0.17 0.11 0.00 -0.22 0.00 0.00 54.13 53.77 2by1 s LEU 600 Cb -0.05 -1.81 -0.05 0.00 0.50 0.00 0.00 46.19 44.79 2by1 s LEU 600 CO 0.00 0.10 -0.19 0.68 -1.32 0.00 0.00 176.35 175.63 2by1 s VAL 601 N 0.76 2.25 0.00 1.68 -7.23 -0.14 -0.94 120.40 116.79 2by1 s VAL 601 Ca -0.00 -2.32 0.00 0.00 -1.81 0.00 0.00 61.98 57.84 2by1 s VAL 601 Cb -0.14 -2.21 0.00 0.00 0.56 0.00 0.00 36.38 34.59 2by1 s VAL 601 CO 0.02 -0.43 0.00 0.61 -0.31 0.00 0.00 175.10 174.99