#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2by2 s PHE 15 N 0.00 3.19 -0.14 7.33 5.36 -1.26 -5.02 117.98 127.44 2by2 s PHE 15 Ca 0.00 0.98 0.01 0.00 -0.96 0.00 0.00 56.93 56.96 2by2 s PHE 15 Cb 0.00 -3.72 -0.00 0.00 -0.34 0.00 0.00 43.02 38.96 2by2 s PHE 15 CO 0.00 -2.45 -0.17 -0.65 -1.46 0.00 0.00 175.22 170.50 2by2 s GLN 16 N 0.60 3.20 0.45 10.12 -0.21 -1.26 -5.07 119.66 127.49 2by2 s GLN 16 Ca 0.63 -0.77 -0.23 0.00 0.02 0.00 0.00 55.36 55.01 2by2 s GLN 16 Cb -0.38 -2.56 -0.10 0.00 1.00 0.00 0.00 33.01 30.97 2by2 s GLN 16 CO 0.34 0.06 0.95 -2.37 -2.12 0.00 0.00 175.29 172.15 2by2 n THR 17 N 3.91 2.57 1.59 -0.19 5.66 -1.26 -4.88 114.28 121.68 2by2 n THR 17 Ca -0.19 -0.50 0.13 0.00 -3.05 0.00 0.00 64.05 60.44 2by2 n THR 17 Cb 0.52 -1.09 0.56 0.00 -1.55 0.00 0.00 70.33 68.77 2by2 n THR 17 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2by2 n GLN 18 N -0.00 1.46 -4.27 1.09 6.02 -1.26 -4.86 117.38 115.56 2by2 n GLN 18 Ca 0.10 -0.67 -0.34 0.00 -0.01 0.00 0.00 57.00 56.08 2by2 n GLN 18 Cb 0.41 -1.43 -0.11 0.00 1.02 0.00 0.00 30.24 30.13 2by2 n GLN 18 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2by2 s HIS 19 N -1.94 3.12 -0.08 1.08 3.76 -1.26 -5.08 115.29 114.89 2by2 s HIS 19 Ca 0.37 -0.11 0.00 0.00 -0.15 0.00 0.00 55.06 55.17 2by2 s HIS 19 Cb 0.19 -1.98 0.02 0.00 1.11 0.00 0.00 32.58 31.93 2by2 s HIS 19 CO 0.30 0.10 -0.05 0.34 -0.85 0.00 0.00 174.74 174.57 2by2 s ASP 20 N 0.19 1.67 0.57 1.40 -1.08 -1.26 -5.03 116.67 113.14 2by2 s ASP 20 Ca 0.00 -0.20 0.27 0.00 -0.52 0.00 0.00 52.55 52.11 2by2 s ASP 20 Cb -0.13 -0.64 1.56 0.00 -1.46 0.00 0.00 42.92 42.25 2by2 s ASP 20 CO 0.02 -0.10 2.06 -0.65 0.52 0.00 0.00 175.17 177.02 2by2 h PRO 21 N 7.82 0.00 0.00 4.34 0.11 -1.98 -0.48 132.00 141.80 2by2 h PRO 21 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2by2 h PRO 21 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2by2 h PRO 21 CO 0.39 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.72 2by2 n ARG 22 N -3.96 0.08 -0.09 1.05 1.74 -1.26 -2.78 116.66 111.44 2by2 n ARG 22 Ca 0.03 0.15 0.08 0.00 -0.77 0.00 0.00 57.85 57.35 2by2 n ARG 22 Cb 0.39 -1.61 0.13 0.00 -1.02 0.00 0.00 32.46 30.35 2by2 n ARG 22 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2by2 n THR 23 N -1.75 1.77 -1.92 0.55 -2.24 -0.21 -5.06 114.28 105.40 2by2 n THR 23 Ca 0.05 -2.02 -0.42 0.00 -2.27 0.00 0.00 64.05 59.40 2by2 n THR 23 Cb 0.31 -0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.40 2by2 n THR 23 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2by2 s ARG 24 N -2.55 4.21 0.53 -0.78 3.52 -1.05 -4.93 118.95 117.89 2by2 s ARG 24 Ca 0.28 2.38 -0.19 0.00 -0.13 0.00 0.00 55.73 58.06 2by2 s ARG 24 Cb 0.24 -3.14 -0.07 0.00 -1.56 0.00 0.00 34.95 30.43 2by2 s ARG 24 CO 0.03 -0.59 1.07 -0.51 -0.81 0.00 0.00 175.30 174.49 2by2 s LEU 25 N 0.85 3.74 0.00 -0.88 1.43 -1.26 -4.54 118.68 118.02 2by2 s LEU 25 Ca 0.68 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.76 2by2 s LEU 25 Cb -0.44 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.22 2by2 s LEU 25 CO 0.34 -1.00 0.00 0.61 0.23 0.00 0.00 176.35 176.53 2by2 n GLY 26 N -0.28 0.53 3.06 -3.19 0.00 -0.16 -4.91 105.19 100.24 2by2 n GLY 26 Ca 0.10 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.06 2by2 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2by2 s ALA 27 N -2.00 2.03 -0.10 4.61 0.00 -1.26 -0.81 121.76 124.22 2by2 s ALA 27 Ca 0.00 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.95 2by2 s ALA 27 Cb 0.00 -1.09 0.02 0.00 0.00 0.00 0.00 23.12 22.05 2by2 s ALA 27 CO 0.00 -0.35 -0.11 0.99 0.00 0.00 0.00 175.76 176.29 2by2 s THR 28 N 1.38 1.20 0.39 0.00 2.01 -0.13 -4.68 115.64 115.80 2by2 s THR 28 Ca 0.04 -0.44 -0.26 0.00 0.31 0.00 0.00 61.69 61.35 2by2 s THR 28 Cb -0.13 -1.15 -0.11 0.00 0.01 0.00 0.00 72.50 71.12 2by2 s THR 28 CO -0.11 0.39 1.14 -2.65 -0.69 0.00 0.00 174.62 172.69 2by2 n PRO 29 N 4.50 1.66 -3.39 4.92 -0.02 -1.26 -0.78 135.00 140.63 2by2 n PRO 29 Ca -0.17 0.59 -0.30 0.00 -2.02 0.00 0.00 63.50 61.60 2by2 n PRO 29 Cb 0.51 -2.17 -0.04 0.00 -0.02 0.00 0.00 33.50 31.78 2by2 n PRO 29 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2by2 s LEU 30 N -0.84 4.11 0.91 2.45 1.43 0.20 -4.79 118.68 122.15 2by2 s LEU 30 Ca 0.61 0.77 -0.11 0.00 -1.03 0.00 0.00 54.13 54.36 2by2 s LEU 30 Cb -0.56 -3.56 0.14 0.00 0.03 0.00 0.00 46.19 42.23 2by2 s LEU 30 CO 0.58 -0.14 1.09 -2.16 0.23 0.00 0.00 176.35 175.96 2by2 s PRO 31 N -3.25 1.14 -1.44 1.29 0.04 -1.26 -3.83 135.00 127.68 2by2 s PRO 31 Ca 0.45 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.48 2by2 s PRO 31 Cb -0.11 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2by2 s PRO 31 CO 0.27 -2.37 0.00 0.41 0.04 0.00 0.00 177.00 175.34 2by2 n GLY 32 N -0.71 0.94 2.44 0.56 0.00 -1.26 -2.38 105.19 104.77 2by2 n GLY 32 Ca 0.08 -0.32 -0.16 0.00 0.00 0.00 0.00 46.02 45.61 2by2 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2by2 n GLY 33 N -1.14 1.18 0.02 -0.02 0.00 -1.25 -4.89 105.19 99.09 2by2 n GLY 33 Ca -0.15 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 45.75 2by2 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2by2 n ALA 34 N 0.57 2.06 0.00 4.61 0.00 -1.00 -5.01 120.51 121.74 2by2 n ALA 34 Ca -0.17 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2by2 n ALA 34 Cb 0.56 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.63 2by2 n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2by2 n GLY 35 N 0.88 0.20 2.88 0.00 0.00 -1.26 -3.87 105.19 104.03 2by2 n GLY 35 Ca 0.05 -1.39 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 2by2 n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2by2 s THR 36 N 0.00 0.06 -0.22 2.61 2.01 0.12 -0.63 115.64 119.59 2by2 s THR 36 Ca 0.00 -0.02 -0.08 0.00 0.31 0.00 0.00 61.69 61.90 2by2 s THR 36 Cb 0.00 -0.07 -0.04 0.00 0.01 0.00 0.00 72.50 72.40 2by2 s THR 36 CO 0.00 0.02 0.10 -0.60 -0.69 0.00 0.00 174.62 173.45 2by2 s ARG 37 N 0.06 3.92 -0.16 4.92 3.52 0.04 -1.41 118.95 129.84 2by2 s ARG 37 Ca -0.00 -0.36 -0.06 0.00 -0.13 0.00 0.00 55.73 55.17 2by2 s ARG 37 Cb -0.01 -3.37 -0.04 0.00 -1.56 0.00 0.00 34.95 29.97 2by2 s ARG 37 CO -0.00 0.06 0.06 -0.06 -0.81 0.00 0.00 175.30 174.55 2by2 s PHE 38 N 0.99 3.29 0.01 5.12 0.08 0.36 -0.96 117.98 126.87 2by2 s PHE 38 Ca 0.05 0.16 -0.02 0.00 0.12 0.00 0.00 56.93 57.25 2by2 s PHE 38 Cb -0.14 -2.01 -0.01 0.00 -0.57 0.00 0.00 43.02 40.29 2by2 s PHE 38 CO 0.03 0.30 0.01 1.03 -0.10 0.00 0.00 175.22 176.49 2by2 s ARG 39 N -0.05 0.30 0.12 0.44 0.52 0.01 -1.11 118.95 119.17 2by2 s ARG 39 Ca 0.06 -0.45 -0.12 0.00 -0.52 0.00 0.00 55.73 54.70 2by2 s ARG 39 Cb -0.12 0.11 0.01 0.00 0.52 0.00 0.00 34.95 35.47 2by2 s ARG 39 CO 0.01 -0.05 0.31 -0.48 0.02 0.00 0.00 175.30 175.10 2by2 s LEU 40 N -1.18 0.88 -0.10 2.53 0.05 -0.52 -0.99 118.68 119.35 2by2 s LEU 40 Ca -0.13 -0.55 0.02 0.00 0.05 0.00 0.00 54.13 53.52 2by2 s LEU 40 Cb -0.08 1.44 -0.01 0.00 -2.05 0.00 0.00 46.19 45.49 2by2 s LEU 40 CO -0.00 -0.82 -0.18 0.86 -0.55 0.00 0.00 176.35 175.66 2by2 s TRP 41 N -3.86 2.69 -0.00 3.48 -0.00 -1.26 -1.06 118.94 118.93 2by2 s TRP 41 Ca 0.06 -0.71 -0.00 0.00 -0.00 0.00 0.00 56.10 55.45 2by2 s TRP 41 Cb 0.03 -1.76 0.01 0.00 -0.00 0.00 0.00 33.47 31.75 2by2 s TRP 41 CO -0.09 -0.23 0.01 -0.08 -0.00 0.00 0.00 176.95 176.56 2by2 s THR 42 N 0.17 -0.01 -0.95 5.86 -1.32 0.02 -4.57 115.64 114.84 2by2 s THR 42 Ca -0.10 0.04 0.22 0.00 -1.21 0.00 0.00 61.69 60.64 2by2 s THR 42 Cb -0.16 -0.03 -0.19 0.00 -1.51 0.00 0.00 72.50 70.61 2by2 s THR 42 CO 0.06 0.02 0.97 -1.54 -2.21 0.00 0.00 174.62 171.92 2by2 n SER 43 N 3.30 0.87 0.00 8.08 3.41 -0.49 -4.38 113.62 124.41 2by2 n SER 43 Ca -0.15 -0.81 0.00 0.00 -0.26 0.00 0.00 58.87 57.65 2by2 n SER 43 Cb 0.58 0.91 0.00 0.00 -0.26 0.00 0.00 64.21 65.44 2by2 n SER 43 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2by2 n THR 44 N -1.55 0.00 -2.30 6.66 -2.24 -1.25 -5.07 114.28 108.53 2by2 n THR 44 Ca 0.04 -0.04 -0.38 0.00 -2.27 0.00 0.00 64.05 61.39 2by2 n THR 44 Cb 0.34 0.40 -0.02 0.00 -2.10 0.00 0.00 70.33 68.95 2by2 n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2by2 s ALA 45 N -1.08 3.15 -0.19 6.98 0.00 -1.26 -4.95 121.76 124.40 2by2 s ALA 45 Ca 0.00 0.96 0.11 0.00 0.00 0.00 0.00 51.96 53.03 2by2 s ALA 45 Cb 0.00 -3.38 -0.23 0.00 0.00 0.00 0.00 23.12 19.52 2by2 s ALA 45 CO 0.00 -0.52 0.09 0.54 0.00 0.00 0.00 175.76 175.87 2by2 n ARG 46 N 0.06 0.68 -4.97 0.00 1.74 -1.26 -4.92 116.66 107.98 2by2 n ARG 46 Ca 0.04 0.10 -0.27 0.00 -0.77 0.00 0.00 57.85 56.95 2by2 n ARG 46 Cb 0.47 -1.57 -0.15 0.00 -1.02 0.00 0.00 32.46 30.18 2by2 n ARG 46 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2by2 s THR 47 N -2.52 1.65 -0.03 0.55 -4.23 -1.26 -4.99 115.64 104.81 2by2 s THR 47 Ca -0.17 -0.94 -0.01 0.00 -1.18 0.00 0.00 61.69 59.39 2by2 s THR 47 Cb 0.07 -1.38 0.03 0.00 1.34 0.00 0.00 72.50 72.56 2by2 s THR 47 CO 0.76 0.43 0.03 -0.69 -0.54 0.00 0.00 174.62 174.61 2by2 s VAL 48 N -0.54 0.02 0.08 2.29 1.01 -1.26 -0.99 120.40 121.02 2by2 s VAL 48 Ca 0.08 0.26 -0.02 0.00 0.00 0.00 0.00 61.98 62.29 2by2 s VAL 48 Cb -0.08 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 2by2 s VAL 48 CO -0.00 0.15 0.03 0.00 0.00 0.00 0.00 175.10 175.28 2by2 s ALA 49 N 1.55 0.51 -0.07 5.51 0.00 -0.44 -4.60 121.76 124.21 2by2 s ALA 49 Ca -0.03 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 50.75 2by2 s ALA 49 Cb -0.13 0.49 -0.02 0.00 0.00 0.00 0.00 23.12 23.46 2by2 s ALA 49 CO -0.03 -0.43 -0.14 0.54 0.00 0.00 0.00 175.76 175.70 2by2 s VAL 50 N -3.95 3.08 -0.31 0.00 0.11 0.14 -0.22 120.40 119.25 2by2 s VAL 50 Ca 0.12 -0.70 -0.06 0.00 -2.93 0.00 0.00 61.98 58.42 2by2 s VAL 50 Cb 0.07 -2.23 0.03 0.00 -1.53 0.00 0.00 36.38 32.72 2by2 s VAL 50 CO -0.06 0.57 0.07 -0.60 -3.33 0.00 0.00 175.10 171.75 2by2 s ARG 51 N -0.41 2.83 -0.17 1.54 3.52 -0.07 -0.53 118.95 125.66 2by2 s ARG 51 Ca 0.05 -1.03 0.00 0.00 -0.13 0.00 0.00 55.73 54.62 2by2 s ARG 51 Cb -0.12 -3.34 0.00 0.00 -1.56 0.00 0.00 34.95 29.93 2by2 s ARG 51 CO 0.02 -0.54 -0.15 0.08 -0.81 0.00 0.00 175.30 173.90 2by2 s VAL 52 N 1.42 2.60 -1.50 7.11 1.01 0.13 -2.00 120.40 129.17 2by2 s VAL 52 Ca 0.00 -0.78 -0.14 0.00 0.00 0.00 0.00 61.98 61.06 2by2 s VAL 52 Cb -0.18 -2.11 0.10 0.00 0.00 0.00 0.00 36.38 34.19 2by2 s VAL 52 CO 0.01 0.51 0.75 0.59 0.00 0.00 0.00 175.10 176.97 2by2 n ASN 53 N 4.25 -4.06 0.00 3.32 3.02 0.65 -1.20 115.26 121.24 2by2 n ASN 53 Ca -0.19 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 2by2 n ASN 53 Cb 0.51 -3.30 0.00 0.00 -0.61 0.00 0.00 39.78 36.39 2by2 n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2by2 n GLY 54 N -1.42 1.55 3.55 7.41 0.00 -1.26 -5.05 105.19 109.97 2by2 n GLY 54 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 2by2 n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2by2 s THR 55 N -2.61 4.43 -0.01 2.61 2.01 -0.34 -5.06 115.64 116.68 2by2 s THR 55 Ca 0.00 -0.15 -0.22 0.00 0.31 0.00 0.00 61.69 61.62 2by2 s THR 55 Cb 0.00 -3.01 -0.05 0.00 0.01 0.00 0.00 72.50 69.45 2by2 s THR 55 CO 0.00 0.43 0.66 -1.61 -0.69 0.00 0.00 174.62 173.41 2by2 s GLU 56 N 0.73 4.39 -0.09 4.92 2.02 -1.26 -0.70 118.70 128.71 2by2 s GLU 56 Ca 0.02 0.85 0.01 0.00 0.02 0.00 0.00 54.97 55.87 2by2 s GLU 56 Cb -0.14 -3.37 0.02 0.00 0.10 0.00 0.00 34.13 30.74 2by2 s GLU 56 CO 0.02 0.27 -0.10 -1.01 0.02 0.00 0.00 175.26 174.46 2by2 s HIS 57 N 0.09 1.46 0.00 1.61 3.76 0.31 -4.97 115.29 117.55 2by2 s HIS 57 Ca 0.34 -0.63 0.00 0.00 -0.15 0.00 0.00 55.06 54.63 2by2 s HIS 57 Cb -0.19 -1.14 0.00 0.00 1.11 0.00 0.00 32.58 32.37 2by2 s HIS 57 CO 0.19 -0.38 0.00 0.28 -0.85 0.00 0.00 174.74 173.98 2by2 n VAL 58 N 4.30 0.00 -4.75 -0.90 0.31 -1.26 -0.69 118.33 115.34 2by2 n VAL 58 Ca -0.19 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 63.88 2by2 n VAL 58 Cb 0.51 -0.81 -0.16 0.00 -0.91 0.00 0.00 33.84 32.47 2by2 n VAL 58 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2by2 s THR 60 N -0.98 1.36 -0.20 2.52 2.01 -0.06 -4.87 115.64 115.41 2by2 s THR 60 Ca 0.00 -0.63 -0.25 0.00 0.31 0.00 0.00 61.69 61.12 2by2 s THR 60 Cb 0.00 -1.20 -0.01 0.00 0.01 0.00 0.00 72.50 71.30 2by2 s THR 60 CO 0.00 0.40 0.83 -0.55 -0.69 0.00 0.00 174.62 174.61 2by2 s SER 61 N 0.44 6.91 -0.00 3.53 0.15 -1.26 -1.21 113.70 122.25 2by2 s SER 61 Ca -0.12 1.12 0.20 0.00 0.70 0.00 0.00 55.95 57.85 2by2 s SER 61 Cb -0.15 -2.45 -0.23 0.00 -1.71 0.00 0.00 66.02 61.48 2by2 s SER 61 CO 0.04 -0.45 0.79 0.18 1.20 0.00 0.00 173.24 175.01 2by2 n LEU 62 N 5.54 0.81 0.00 3.45 4.77 0.03 -5.02 117.00 126.58 2by2 n LEU 62 Ca 0.05 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 2by2 n LEU 62 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2by2 n LEU 62 CO 0.48 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 2by2 n GLY 63 N 1.45 2.37 2.40 -0.72 0.00 -1.25 -4.92 105.19 104.52 2by2 n GLY 63 Ca 0.03 -1.83 -0.14 0.00 0.00 0.00 0.00 46.02 44.07 2by2 n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2by2 n GLY 64 N 1.59 1.24 2.34 -0.02 0.00 -1.26 -2.16 105.19 106.92 2by2 n GLY 64 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2by2 n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2by2 n GLY 65 N -1.18 0.41 3.76 -0.02 0.00 -1.26 -4.82 105.19 102.07 2by2 n GLY 65 Ca -0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 2by2 n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2by2 s ILE 66 N -1.88 4.94 0.03 -0.61 -1.09 -0.92 -0.80 121.20 120.87 2by2 s ILE 66 Ca 0.00 1.21 0.06 0.00 -2.23 0.00 0.00 60.65 59.69 2by2 s ILE 66 Cb 0.00 -3.92 -0.02 0.00 -1.58 0.00 0.00 42.46 36.94 2by2 s ILE 66 CO 0.00 0.41 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.63 2by2 s TYR 67 N -0.13 1.59 -0.01 3.97 2.02 -0.22 -0.79 117.35 123.78 2by2 s TYR 67 Ca 0.30 -0.35 -0.07 0.00 -0.37 0.00 0.00 57.07 56.58 2by2 s TYR 67 Cb -0.18 -0.96 0.00 0.00 -0.40 0.00 0.00 41.96 40.43 2by2 s TYR 67 CO 0.16 0.06 0.14 -2.00 -1.57 0.00 0.00 175.55 172.34 2by2 s GLU 68 N -1.05 0.43 -0.16 -0.62 2.12 -0.35 -1.43 118.70 117.63 2by2 s GLU 68 Ca 0.06 -0.29 -0.18 0.00 0.36 0.00 0.00 54.97 54.92 2by2 s GLU 68 Cb -0.08 0.18 0.05 0.00 0.26 0.00 0.00 34.13 34.54 2by2 s GLU 68 CO 0.01 -0.10 0.49 -1.17 -0.54 0.00 0.00 175.26 173.96 2by2 s LEU 69 N -1.12 0.12 -0.13 2.70 2.96 -0.27 -0.88 118.68 122.06 2by2 s LEU 69 Ca -0.12 0.90 -0.03 0.00 -0.22 0.00 0.00 54.13 54.66 2by2 s LEU 69 Cb -0.06 1.72 -0.03 0.00 0.50 0.00 0.00 46.19 48.32 2by2 s LEU 69 CO 0.01 -0.23 -0.05 -1.61 -1.32 0.00 0.00 176.35 173.16 2by2 s GLU 70 N 0.02 3.45 0.06 1.98 2.02 -1.26 -0.49 118.70 124.48 2by2 s GLU 70 Ca -0.02 -0.53 0.03 0.00 0.02 0.00 0.00 54.97 54.47 2by2 s GLU 70 Cb -0.03 -2.83 -0.03 0.00 0.10 0.00 0.00 34.13 31.34 2by2 s GLU 70 CO 0.02 0.34 -0.09 -0.51 0.02 0.00 0.00 175.26 175.04 2by2 s LEU 71 N 0.07 2.32 0.00 1.80 1.43 -0.50 -4.99 118.68 118.81 2by2 s LEU 71 Ca -0.01 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.43 2by2 s LEU 71 Cb -0.14 -0.22 0.00 0.00 0.03 0.00 0.00 46.19 45.86 2by2 s LEU 71 CO 0.03 -0.23 0.50 -2.65 0.23 0.00 0.00 176.35 174.23 2by2 n PRO 72 N 1.09 0.67 -3.02 1.29 -0.02 -1.25 -0.70 135.00 133.05 2by2 n PRO 72 Ca -0.20 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 60.94 2by2 n PRO 72 Cb 0.56 -1.25 -0.06 0.00 -0.02 0.00 0.00 33.50 32.73 2by2 n PRO 72 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2by2 s VAL 73 N -0.32 4.53 0.08 -1.45 -7.23 -1.26 -4.60 120.40 110.15 2by2 s VAL 73 Ca 0.00 1.26 0.01 0.00 -1.81 0.00 0.00 61.98 61.43 2by2 s VAL 73 Cb 0.00 -3.73 0.01 0.00 0.56 0.00 0.00 36.38 33.22 2by2 s VAL 73 CO 0.00 -0.06 0.05 0.61 -0.31 0.00 0.00 175.10 175.39 2by2 n GLY 74 N 0.01 3.23 3.67 2.32 0.00 -1.26 -2.03 105.19 111.13 2by2 n GLY 74 Ca 0.02 -2.20 -0.45 0.00 0.00 0.00 0.00 46.02 43.40 2by2 n GLY 74 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2by2 n PRO 75 N -0.60 2.00 0.00 1.61 -0.02 -1.26 -1.49 135.00 135.24 2by2 n PRO 75 Ca -0.01 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2by2 n PRO 75 Cb 0.10 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 2by2 n PRO 75 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2by2 n GLY 76 N 1.91 3.08 3.74 -1.23 0.00 0.12 -4.97 105.19 107.85 2by2 n GLY 76 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 2by2 n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2by2 s ALA 77 N -2.76 2.61 -0.09 4.61 0.00 -0.55 -4.65 121.76 120.93 2by2 s ALA 77 Ca 0.00 1.25 -0.01 0.00 0.00 0.00 0.00 51.96 53.21 2by2 s ALA 77 Cb 0.00 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 2by2 s ALA 77 CO 0.00 -1.44 -0.04 1.03 0.00 0.00 0.00 175.76 175.31 2by2 s ARG 78 N -3.14 2.95 0.17 0.00 1.81 -1.26 -0.81 118.95 118.67 2by2 s ARG 78 Ca 0.77 -0.50 -0.21 0.00 -1.72 0.00 0.00 55.73 54.07 2by2 s ARG 78 Cb -0.38 -2.70 0.05 0.00 -0.45 0.00 0.00 34.95 31.47 2by2 s ARG 78 CO 0.43 0.62 0.56 1.52 -0.68 0.00 0.00 175.30 177.75 2by2 s TYR 79 N -0.68 -0.37 0.34 -0.53 -0.85 -0.20 -0.25 117.35 114.81 2by2 s TYR 79 Ca 0.10 0.10 -0.04 0.00 -0.52 0.00 0.00 57.07 56.71 2by2 s TYR 79 Cb -0.12 0.49 0.01 0.00 0.38 0.00 0.00 41.96 42.72 2by2 s TYR 79 CO 0.02 -0.87 0.51 -0.48 -1.52 0.00 0.00 175.55 173.21 2by2 s LEU 80 N -2.80 0.88 0.22 -3.49 0.05 -0.85 0.09 118.68 112.78 2by2 s LEU 80 Ca 0.04 -1.42 0.07 0.00 0.05 0.00 0.00 54.13 52.86 2by2 s LEU 80 Cb -0.01 1.63 -0.04 0.00 -2.05 0.00 0.00 46.19 45.72 2by2 s LEU 80 CO -0.09 -1.33 0.15 -0.36 -0.55 0.00 0.00 176.35 174.17 2by2 s PHE 81 N -3.02 3.08 -0.20 3.48 0.08 -0.48 -0.89 117.98 120.04 2by2 s PHE 81 Ca 0.29 -0.09 0.00 0.00 0.12 0.00 0.00 56.93 57.25 2by2 s PHE 81 Cb -0.01 -1.42 0.05 0.00 -0.57 0.00 0.00 43.02 41.06 2by2 s PHE 81 CO 0.19 0.53 -0.08 0.08 -0.10 0.00 0.00 175.22 175.84 2by2 s VAL 82 N -2.00 1.45 -0.26 -0.44 1.01 0.69 0.46 120.40 121.31 2by2 s VAL 82 Ca 0.32 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 2by2 s VAL 82 Cb -0.09 -1.60 0.02 0.00 0.00 0.00 0.00 36.38 34.72 2by2 s VAL 82 CO 0.24 0.10 -0.02 -0.76 0.00 0.00 0.00 175.10 174.67 2by2 s LEU 83 N 1.47 3.37 -1.62 3.92 1.43 -0.69 -1.33 118.68 125.24 2by2 s LEU 83 Ca -0.01 -0.79 -0.16 0.00 -1.03 0.00 0.00 54.13 52.14 2by2 s LEU 83 Cb -0.16 -1.74 0.12 0.00 0.03 0.00 0.00 46.19 44.44 2by2 s LEU 83 CO -0.08 -0.14 0.87 0.47 0.23 0.00 0.00 176.35 177.70 2by2 n ASP 84 N 4.74 -3.88 0.00 2.29 8.00 -0.16 -0.79 116.55 126.76 2by2 n ASP 84 Ca -0.16 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.44 2by2 n ASP 84 Cb 0.48 -3.29 0.00 0.00 -0.02 0.00 0.00 41.12 38.29 2by2 n ASP 84 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2by2 n GLY 85 N -1.55 1.00 3.52 0.44 0.00 -1.26 -5.01 105.19 102.33 2by2 n GLY 85 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 2by2 n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2by2 s VAL 86 N -3.80 5.16 0.17 1.61 1.01 0.03 -5.05 120.40 119.53 2by2 s VAL 86 Ca 0.00 -0.19 -0.32 0.00 0.00 0.00 0.00 61.98 61.48 2by2 s VAL 86 Cb 0.00 -3.62 -0.10 0.00 0.00 0.00 0.00 36.38 32.66 2by2 s VAL 86 CO 0.00 0.05 1.63 -2.84 0.00 0.00 0.00 175.10 173.93 2by2 s PRO 87 N 1.71 4.19 -0.04 2.72 0.02 -1.26 -1.71 135.00 140.63 2by2 s PRO 87 Ca 0.06 2.43 -0.01 0.00 0.02 0.00 0.00 61.00 63.50 2by2 s PRO 87 Cb -0.17 -3.19 0.03 0.00 0.02 0.00 0.00 34.50 31.19 2by2 s PRO 87 CO 0.10 -0.66 0.03 0.99 -0.33 0.00 0.00 177.00 177.13 2by2 s THR 88 N 1.35 0.01 0.81 0.99 2.01 0.17 -4.97 115.64 116.02 2by2 s THR 88 Ca 0.72 0.28 -0.14 0.00 0.31 0.00 0.00 61.69 62.86 2by2 s THR 88 Cb -0.45 -0.20 0.03 0.00 0.01 0.00 0.00 72.50 71.89 2by2 s THR 88 CO 0.32 0.16 0.81 -2.65 -0.69 0.00 0.00 174.62 172.56 2by2 n PRO 89 N 4.79 0.11 -2.79 4.92 -0.02 -1.26 -1.38 135.00 139.37 2by2 n PRO 89 Ca -0.14 0.10 -0.42 0.00 -2.02 0.00 0.00 63.50 61.01 2by2 n PRO 89 Cb 0.50 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.83 2by2 n PRO 89 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2by2 s ASP 90 N -1.89 6.76 0.62 2.55 2.15 -1.26 -4.75 116.67 120.84 2by2 s ASP 90 Ca 0.67 0.76 0.41 0.00 0.43 0.00 0.00 52.55 54.82 2by2 s ASP 90 Cb -0.29 -2.47 2.19 0.00 -0.30 0.00 0.00 42.92 42.04 2by2 s ASP 90 CO 0.57 -0.79 2.26 -0.65 -0.17 0.00 0.00 175.17 176.38 2by2 h PRO 91 N 8.24 0.00 -0.69 4.34 0.11 -1.92 -0.25 132.00 141.84 2by2 h PRO 91 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2by2 h PRO 91 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2by2 h PRO 91 CO 0.97 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.42 2by2 n TYR 92 N -2.98 1.30 -1.64 0.65 4.01 -1.26 -4.36 117.16 112.88 2by2 n TYR 92 Ca -0.02 -0.56 -0.46 0.00 -0.16 0.00 0.00 57.90 56.70 2by2 n TYR 92 Cb 0.09 -0.15 -0.03 0.00 -0.31 0.00 0.00 39.34 38.94 2by2 n TYR 92 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2by2 n ALA 93 N 1.33 0.40 0.32 -0.72 0.00 -0.11 -4.71 120.51 117.02 2by2 n ALA 93 Ca 0.25 0.42 0.12 0.00 0.00 0.00 0.00 53.44 54.23 2by2 n ALA 93 Cb 0.79 -2.17 0.11 0.00 0.00 0.00 0.00 19.45 18.18 2by2 n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2by2 h ARG 94 N 3.62 0.00 -1.85 0.00 2.47 -1.77 -3.05 114.38 113.80 2by2 h ARG 94 Ca -0.44 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.28 2by2 h ARG 94 Cb 1.30 0.00 -0.22 0.00 -1.65 0.00 0.00 29.97 29.40 2by2 h ARG 94 CO 0.72 0.00 0.28 0.12 0.56 0.00 0.00 179.97 181.64 2by2 s PHE 95 N -3.26 -0.62 -0.54 3.04 5.36 -1.26 -4.08 117.98 116.62 2by2 s PHE 95 Ca 0.04 1.35 0.05 0.00 -0.96 0.00 0.00 56.93 57.40 2by2 s PHE 95 Cb 0.10 0.35 0.17 0.00 -0.34 0.00 0.00 43.02 43.31 2by2 s PHE 95 CO 0.74 -0.40 0.42 1.28 -1.46 0.00 0.00 175.22 175.79 2by2 n LEU 96 N 1.81 1.10 0.28 6.12 4.77 -1.26 -1.03 117.00 128.79 2by2 n LEU 96 Ca -0.14 -4.76 0.14 0.00 -0.03 0.00 0.00 56.01 51.22 2by2 n LEU 96 Cb 0.56 -0.03 0.83 0.00 -2.33 0.00 0.00 43.42 42.45 2by2 n LEU 96 CO 0.10 1.83 1.06 -0.65 -1.33 0.00 0.00 177.39 178.40 2by2 h PRO 97 N 5.45 0.00 -0.35 3.23 0.10 -1.95 -1.01 132.00 137.48 2by2 h PRO 97 Ca 0.21 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.31 2by2 h PRO 97 Cb 0.84 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.94 2by2 h PRO 97 CO 0.53 0.05 0.00 -0.25 0.10 0.00 0.00 178.00 178.43 2by2 n ASP 98 N -3.78 4.16 0.00 -2.05 8.00 -1.26 -4.97 116.55 116.65 2by2 n ASP 98 Ca -0.02 -2.86 0.00 0.00 0.71 0.00 0.00 54.79 52.61 2by2 n ASP 98 Cb 0.15 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 2by2 n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2by2 n GLY 99 N -0.11 -2.30 0.06 0.44 0.00 -0.38 -4.40 105.19 98.49 2by2 n GLY 99 Ca 0.22 -1.70 0.11 0.00 0.00 0.00 0.00 46.02 44.64 2by2 n GLY 99 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2by2 n VAL 100 N -0.19 0.73 0.08 1.61 0.24 -1.26 -2.04 118.33 117.49 2by2 n VAL 100 Ca 0.00 0.13 0.09 0.00 -2.04 0.00 0.00 64.34 62.52 2by2 n VAL 100 Cb 0.00 -0.92 0.18 0.00 -1.47 0.00 0.00 33.84 31.63 2by2 n VAL 100 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2by2 n HIS 101 N -1.84 0.46 -3.35 6.34 8.25 -1.26 -4.73 115.22 119.09 2by2 n HIS 101 Ca 0.04 -0.32 -0.16 0.00 -0.26 0.00 0.00 57.72 57.02 2by2 n HIS 101 Cb 0.25 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 31.38 2by2 n HIS 101 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2by2 n GLY 102 N 1.03 2.33 3.77 -1.41 0.00 -0.87 -4.82 105.19 105.22 2by2 n GLY 102 Ca 0.15 -2.23 -0.37 0.00 0.00 0.00 0.00 46.02 43.58 2by2 n GLY 102 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2by2 s GLU 103 N -3.77 3.50 0.57 1.61 2.02 -1.26 -4.68 118.70 116.69 2by2 s GLU 103 Ca 0.34 1.81 -0.06 0.00 0.02 0.00 0.00 54.97 57.09 2by2 s GLU 103 Cb -0.03 -2.24 0.00 0.00 0.10 0.00 0.00 34.13 31.96 2by2 s GLU 103 CO 0.22 -0.78 0.88 0.00 0.02 0.00 0.00 175.26 175.60 2by2 s ALA 104 N -1.57 3.32 -0.07 5.21 0.00 0.11 -4.26 121.76 124.51 2by2 s ALA 104 Ca 0.68 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.99 2by2 s ALA 104 Cb -0.29 -2.60 -0.03 0.00 0.00 0.00 0.00 23.12 20.20 2by2 s ALA 104 CO 0.35 -0.73 -0.09 -2.00 0.00 0.00 0.00 175.76 173.28 2by2 s GLU 105 N -4.95 2.75 0.08 0.00 2.12 -0.20 -1.03 118.70 117.46 2by2 s GLU 105 Ca 0.53 -0.59 -0.30 0.00 0.36 0.00 0.00 54.97 54.96 2by2 s GLU 105 Cb -0.10 -2.55 -0.06 0.00 0.26 0.00 0.00 34.13 31.68 2by2 s GLU 105 CO 0.45 0.61 1.16 0.08 -0.54 0.00 0.00 175.26 177.03 2by2 s VAL 106 N -0.68 4.06 -0.03 3.70 1.01 0.01 -3.99 120.40 124.47 2by2 s VAL 106 Ca 0.10 1.53 0.07 0.00 0.00 0.00 0.00 61.98 63.68 2by2 s VAL 106 Cb -0.11 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 2by2 s VAL 106 CO 0.01 0.15 -0.25 -0.69 0.00 0.00 0.00 175.10 174.32 2by2 s VAL 107 N 0.80 2.02 -0.31 2.92 1.01 -1.26 -0.70 120.40 124.88 2by2 s VAL 107 Ca 0.56 -1.08 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 2by2 s VAL 107 Cb -0.29 -1.69 0.03 0.00 0.00 0.00 0.00 36.38 34.43 2by2 s VAL 107 CO 0.30 0.57 0.06 -0.62 0.00 0.00 0.00 175.10 175.41 2by2 s ASP 108 N -0.43 5.05 0.00 3.32 -1.08 -1.26 -4.58 116.67 117.69 2by2 s ASP 108 Ca 0.05 -1.03 0.18 0.00 -0.52 0.00 0.00 52.55 51.22 2by2 s ASP 108 Cb -0.11 -1.81 0.85 0.00 -1.46 0.00 0.00 42.92 40.38 2by2 s ASP 108 CO 0.01 -0.26 1.56 0.49 0.52 0.00 0.00 175.17 177.50 2by2 n PHE 109 N 4.77 0.00 1.02 -5.34 3.72 -1.26 -3.01 117.46 117.36 2by2 n PHE 109 Ca -0.14 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.40 2by2 n PHE 109 Cb 0.45 -0.39 0.51 0.00 -0.94 0.00 0.00 39.48 39.12 2by2 n PHE 109 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2by2 n GLY 110 N 0.30 -1.40 0.08 1.37 0.00 -1.26 -4.19 105.19 100.10 2by2 n GLY 110 Ca 0.07 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 2by2 n GLY 110 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2by2 h THR 111 N 0.02 1.28 -3.35 2.61 2.02 -1.98 -3.46 112.91 110.04 2by2 h THR 111 Ca 0.00 -1.31 -0.56 0.00 0.77 0.00 0.00 66.41 65.31 2by2 h THR 111 Cb 0.49 2.12 0.10 0.00 -1.74 0.00 0.00 68.15 69.12 2by2 h THR 111 CO 0.00 0.32 0.64 0.33 0.37 0.00 0.00 175.52 177.18 2by2 n PHE 112 N -4.84 2.51 -3.11 3.16 7.35 -1.26 -4.90 117.46 116.36 2by2 n PHE 112 Ca -0.09 0.47 -0.45 0.00 -0.76 0.00 0.00 57.45 56.62 2by2 n PHE 112 Cb 0.29 -2.47 -0.02 0.00 0.35 0.00 0.00 39.48 37.63 2by2 n PHE 112 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2by2 s ASP 113 N -0.07 6.82 0.40 -2.13 1.01 -1.26 -5.02 116.67 116.41 2by2 s ASP 113 Ca 0.58 -2.57 -0.26 0.00 0.71 0.00 0.00 52.55 51.01 2by2 s ASP 113 Cb -0.55 -2.31 -0.09 0.00 1.01 0.00 0.00 42.92 40.98 2by2 s ASP 113 CO 0.59 -0.77 1.29 0.26 0.21 0.00 0.00 175.17 176.75 2by2 s TRP 114 N 1.23 2.87 -0.21 4.23 0.52 -1.26 -4.95 118.94 121.37 2by2 s TRP 114 Ca 0.29 1.43 0.08 0.00 0.02 0.00 0.00 56.10 57.91 2by2 s TRP 114 Cb -0.07 -3.64 0.17 0.00 -1.15 0.00 0.00 33.47 28.78 2by2 s TRP 114 CO -0.08 -1.97 1.12 0.25 0.02 0.00 0.00 176.95 176.28 2by2 n THR 115 N 0.20 1.31 -1.27 2.01 -2.24 -1.26 -4.81 114.28 108.22 2by2 n THR 115 Ca 0.03 -1.36 -0.25 0.00 -2.27 0.00 0.00 64.05 60.20 2by2 n THR 115 Cb 0.44 0.27 0.16 0.00 -2.10 0.00 0.00 70.33 69.10 2by2 n THR 115 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2by2 n ASP 116 N -0.53 4.34 0.29 3.42 5.75 -1.26 -4.59 116.55 123.97 2by2 n ASP 116 Ca 0.08 -3.65 0.15 0.00 -0.01 0.00 0.00 54.79 51.35 2by2 n ASP 116 Cb 0.43 -0.85 0.87 0.00 -1.03 0.00 0.00 41.12 40.54 2by2 n ASP 116 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2by2 h ALA 117 N 1.17 1.35 -0.20 2.12 0.00 -2.00 -1.68 119.26 120.02 2by2 h ALA 117 Ca 0.61 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.47 2by2 h ALA 117 Cb 2.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.24 2by2 h ALA 117 CO 1.15 0.06 0.00 -0.25 0.00 0.00 0.00 179.25 180.21 2by2 n ASP 118 N -3.65 1.98 -4.76 0.00 8.00 -1.26 -4.82 116.55 112.03 2by2 n ASP 118 Ca -0.02 -1.77 -0.37 0.00 0.71 0.00 0.00 54.79 53.34 2by2 n ASP 118 Cb 0.15 -0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 41.06 2by2 n ASP 118 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2by2 s TRP 119 N -1.74 3.57 -0.15 1.24 -0.11 -0.63 -4.99 118.94 116.11 2by2 s TRP 119 Ca 0.33 0.83 0.17 0.00 1.22 0.00 0.00 56.10 58.64 2by2 s TRP 119 Cb 0.18 -2.39 0.44 0.00 -1.50 0.00 0.00 33.47 30.20 2by2 s TRP 119 CO 0.27 0.35 1.19 0.72 -4.62 0.00 0.00 176.95 174.86 2by2 n HIS 120 N 3.01 0.50 -2.69 5.86 8.25 -1.26 -5.06 115.22 123.83 2by2 n HIS 120 Ca -0.11 -1.32 0.00 0.00 -0.26 0.00 0.00 57.72 56.03 2by2 n HIS 120 Cb 0.52 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.40 2by2 n HIS 120 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2by2 n GLY 121 N -0.45 -2.17 2.99 -1.41 0.00 -1.26 -4.80 105.19 98.09 2by2 n GLY 121 Ca 0.17 -1.48 -0.13 0.00 0.00 0.00 0.00 46.02 44.57 2by2 n GLY 121 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2by2 s ILE 122 N -0.30 -0.01 0.45 -0.61 2.07 -1.26 -5.01 121.20 116.53 2by2 s ILE 122 Ca 0.00 0.03 -0.21 0.00 -1.41 0.00 0.00 60.65 59.06 2by2 s ILE 122 Cb 0.00 -0.19 -0.10 0.00 0.13 0.00 0.00 42.46 42.30 2by2 s ILE 122 CO 0.00 0.01 0.98 -0.54 -1.91 0.00 0.00 174.94 173.48 2by2 s LYS 123 N 0.25 4.08 0.23 3.50 1.02 -1.26 -4.89 119.74 122.68 2by2 s LYS 123 Ca -0.02 1.21 -0.07 0.00 0.02 0.00 0.00 55.97 57.12 2by2 s LYS 123 Cb -0.03 -2.16 0.30 0.00 -0.52 0.00 0.00 37.83 35.42 2by2 s LYS 123 CO -0.01 -0.17 1.84 1.25 -0.92 0.00 0.00 175.35 177.34 2by2 h LEU 124 N 1.81 0.76 -2.00 3.17 5.85 -1.96 -0.62 115.31 122.31 2by2 h LEU 124 Ca -0.49 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2by2 h LEU 124 Cb 1.19 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.08 2by2 h LEU 124 CO 0.60 0.49 0.00 0.00 -0.34 0.00 0.00 178.44 179.20 2by2 h ALA 125 N 1.38 1.00 -0.24 1.25 0.00 -1.93 -0.79 119.26 119.93 2by2 h ALA 125 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2by2 h ALA 125 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2by2 h ALA 125 CO -0.17 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 178.83 2by2 n ASP 126 N -2.65 3.27 -4.74 0.00 8.00 -0.25 -4.98 116.55 115.20 2by2 n ASP 126 Ca -0.02 -1.99 -0.40 0.00 0.71 0.00 0.00 54.79 53.09 2by2 n ASP 126 Cb 0.09 -0.15 -0.05 0.00 -0.02 0.00 0.00 41.12 40.99 2by2 n ASP 126 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2by2 s VAL 128 N 0.14 1.67 0.42 0.00 1.01 -1.26 -4.19 120.40 118.20 2by2 s VAL 128 Ca 0.40 -1.49 -0.22 0.00 0.00 0.00 0.00 61.98 60.68 2by2 s VAL 128 Cb -0.20 -2.00 -0.11 0.00 0.00 0.00 0.00 36.38 34.07 2by2 s VAL 128 CO 0.23 -0.24 0.96 -0.36 0.00 0.00 0.00 175.10 175.69 2by2 s PHE 129 N 1.30 3.32 -0.21 5.22 0.08 -0.22 -1.57 117.98 125.90 2by2 s PHE 129 Ca -0.02 1.63 -0.03 0.00 0.12 0.00 0.00 56.93 58.63 2by2 s PHE 129 Cb -0.19 -2.89 0.07 0.00 -0.57 0.00 0.00 43.02 39.44 2by2 s PHE 129 CO -0.08 -0.16 0.06 -0.47 -0.10 0.00 0.00 175.22 174.47 2by2 s TYR 130 N -2.09 0.84 -0.26 0.36 5.04 -0.04 -0.44 117.35 120.77 2by2 s TYR 130 Ca 0.61 -0.81 -0.26 0.00 -2.44 0.00 0.00 57.07 54.17 2by2 s TYR 130 Cb -0.11 -1.00 0.00 0.00 0.35 0.00 0.00 41.96 41.20 2by2 s TYR 130 CO 0.15 -0.63 0.90 -2.00 -1.34 0.00 0.00 175.55 172.63 2by2 s GLU 131 N 1.92 4.16 -0.02 4.97 2.12 0.56 -0.43 118.70 131.98 2by2 s GLU 131 Ca 0.01 1.00 0.07 0.00 0.36 0.00 0.00 54.97 56.41 2by2 s GLU 131 Cb -0.17 -3.66 -0.02 0.00 0.26 0.00 0.00 34.13 30.53 2by2 s GLU 131 CO -0.12 -0.60 -0.22 0.14 -0.54 0.00 0.00 175.26 173.91 2by2 s VAL 132 N 3.02 2.39 -0.36 3.70 -7.23 -0.01 -0.94 120.40 120.98 2by2 s VAL 132 Ca 0.38 -1.04 -0.10 0.00 -1.81 0.00 0.00 61.98 59.40 2by2 s VAL 132 Cb -0.15 -1.89 0.03 0.00 0.56 0.00 0.00 36.38 34.93 2by2 s VAL 132 CO 0.09 0.54 0.18 -2.28 -0.31 0.00 0.00 175.10 173.32 2by2 s HIS 133 N -0.69 3.24 0.31 2.82 2.46 -1.26 -4.41 115.29 117.75 2by2 s HIS 133 Ca 0.11 -0.99 0.02 0.00 0.47 0.00 0.00 55.06 54.67 2by2 s HIS 133 Cb -0.10 -2.40 0.58 0.00 -0.13 0.00 0.00 32.58 30.53 2by2 s HIS 133 CO 0.00 -0.64 1.89 0.28 -2.47 0.00 0.00 174.74 173.80 2by2 h VAL 134 N 5.90 0.99 -0.03 0.89 2.07 -1.94 -0.80 116.25 123.33 2by2 h VAL 134 Ca -0.26 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 66.88 2by2 h VAL 134 Cb 1.11 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2by2 h VAL 134 CO 0.65 0.18 -0.20 1.23 0.02 0.00 0.00 177.57 179.45 2by2 h GLY 135 N 0.97 0.05 0.00 2.17 0.00 -1.92 -3.18 103.07 101.15 2by2 h GLY 135 Ca 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.72 2by2 h GLY 135 CO -0.18 0.03 -0.68 -1.30 0.00 0.00 0.00 176.54 174.40 2by2 n THR 136 N -4.28 0.00 0.21 4.70 -2.24 -0.87 -4.18 114.28 107.63 2by2 n THR 136 Ca -0.02 -0.26 0.06 0.00 -2.27 0.00 0.00 64.05 61.56 2by2 n THR 136 Cb 0.27 0.84 0.53 0.00 -2.10 0.00 0.00 70.33 69.87 2by2 n THR 136 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2by2 h PHE 137 N 0.00 0.06 -3.97 4.78 3.57 -1.15 -1.93 116.94 118.31 2by2 h PHE 137 Ca 0.00 -0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.25 2by2 h PHE 137 Cb 0.28 -0.02 -0.15 0.00 2.79 0.00 0.00 35.95 38.86 2by2 h PHE 137 CO 0.00 0.16 -0.66 0.95 -2.23 0.00 0.00 178.31 176.52 2by2 s THR 138 N -4.83 0.50 0.17 4.41 -4.23 -1.26 -4.63 115.64 105.77 2by2 s THR 138 Ca -0.05 -1.95 -0.15 0.00 -1.18 0.00 0.00 61.69 58.37 2by2 s THR 138 Cb 0.16 -2.02 0.08 0.00 1.34 0.00 0.00 72.50 72.06 2by2 s THR 138 CO 0.69 -0.55 1.70 -0.65 -0.54 0.00 0.00 174.62 175.28 2by2 h PRO 139 N 2.79 0.14 -0.45 3.99 0.11 -1.85 -2.07 132.00 134.66 2by2 h PRO 139 Ca -0.36 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.69 2by2 h PRO 139 Cb 1.19 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2by2 h PRO 139 CO 0.62 0.09 0.08 0.93 -0.21 0.00 0.00 178.00 179.51 2by2 h GLU 140 N 0.14 0.69 -2.97 1.05 3.07 -1.95 -3.47 114.58 111.14 2by2 h GLU 140 Ca 0.21 -0.14 -0.23 0.00 -0.50 0.00 0.00 59.36 58.70 2by2 h GLU 140 Cb 0.29 -0.10 0.05 0.00 -0.84 0.00 0.00 28.75 28.14 2by2 h GLU 140 CO -0.32 0.66 -0.35 0.41 -1.40 0.00 0.00 179.01 178.00 2by2 n GLY 141 N -0.88 0.03 3.40 -3.84 0.00 -0.78 -5.03 105.19 98.09 2by2 n GLY 141 Ca 0.03 -0.24 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 2by2 n GLY 141 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2by2 s THR 142 N -2.96 1.55 0.22 2.61 -4.23 -1.25 -4.05 115.64 107.52 2by2 s THR 142 Ca 0.21 -2.12 -0.09 0.00 -1.18 0.00 0.00 61.69 58.51 2by2 s THR 142 Cb -0.09 -2.38 0.17 0.00 1.34 0.00 0.00 72.50 71.54 2by2 s THR 142 CO 0.26 -0.35 1.87 1.88 -0.54 0.00 0.00 174.62 177.74 2by2 h TYR 143 N 2.35 1.04 -0.68 3.99 0.99 -1.41 -1.64 116.97 121.61 2by2 h TYR 143 Ca -0.39 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.34 2by2 h TYR 143 Cb 1.23 -0.35 -0.03 0.00 1.00 0.00 0.00 36.73 38.58 2by2 h TYR 143 CO 0.67 0.68 0.43 0.00 -0.00 0.00 0.00 178.16 179.94 2by2 h ARG 144 N 1.10 0.92 -0.19 4.88 2.47 -1.83 0.15 114.38 121.88 2by2 h ARG 144 Ca 0.29 -0.07 -0.13 0.00 -1.26 0.00 0.00 59.98 58.81 2by2 h ARG 144 Cb -0.07 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.04 2by2 h ARG 144 CO -0.06 0.64 -0.41 0.00 0.56 0.00 0.00 179.97 180.70 2by2 h ALA 145 N 1.23 0.93 -0.73 0.04 0.00 -1.91 -2.79 119.26 116.03 2by2 h ALA 145 Ca 0.25 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 2by2 h ALA 145 Cb -0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2by2 h ALA 145 CO -0.05 0.63 0.27 0.00 0.00 0.00 0.00 179.25 180.10 2by2 h ALA 146 N 1.19 1.10 -0.20 0.00 0.00 -0.53 -2.69 119.26 118.12 2by2 h ALA 146 Ca 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2by2 h ALA 146 Cb 0.88 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2by2 h ALA 146 CO 0.07 0.63 0.07 0.00 0.00 0.00 0.00 179.25 180.03 2by2 h ALA 147 N 1.23 1.75 0.00 0.00 0.00 -0.45 -0.48 119.26 121.31 2by2 h ALA 147 Ca 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2by2 h ALA 147 Cb 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2by2 h ALA 147 CO -0.02 0.20 0.00 0.93 0.00 0.00 0.00 179.25 180.36 2by2 h GLU 148 N 0.28 0.00 -0.03 0.00 4.39 -1.38 -1.82 114.58 116.03 2by2 h GLU 148 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2by2 h GLU 148 Cb 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2by2 h GLU 148 CO -0.01 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.47 2by2 n LYS 149 N -2.92 1.86 -0.17 2.33 4.76 -0.19 -4.47 118.16 119.37 2by2 n LYS 149 Ca -0.01 -1.25 -0.07 0.00 -2.87 0.00 0.00 58.31 54.11 2by2 n LYS 149 Cb 0.16 -1.47 0.02 0.00 -1.84 0.00 0.00 35.03 31.90 2by2 n LYS 149 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2by2 h LEU 150 N 3.03 0.54 -1.03 -0.35 3.38 -1.35 -1.58 115.31 117.95 2by2 h LEU 150 Ca 0.00 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.04 2by2 h LEU 150 Cb 0.64 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.20 2by2 h LEU 150 CO 0.00 0.39 0.64 -0.65 0.09 0.00 0.00 178.44 178.91 2by2 h PRO 151 N 0.65 1.09 -0.38 1.13 0.11 -1.80 0.40 132.00 133.20 2by2 h PRO 151 Ca 0.19 -0.07 0.05 0.00 0.11 0.00 0.00 66.00 66.28 2by2 h PRO 151 Cb -0.05 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 30.78 2by2 h PRO 151 CO -0.06 0.72 0.12 -0.92 -0.21 0.00 0.00 178.00 177.66 2by2 h TYR 152 N 1.12 0.22 -0.57 0.65 3.20 -1.73 -0.72 116.97 119.15 2by2 h TYR 152 Ca 0.44 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 62.22 2by2 h TYR 152 Cb 0.23 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 2by2 h TYR 152 CO -0.00 0.08 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.46 2by2 h LEU 153 N 0.27 1.04 -0.24 2.82 3.38 -0.39 0.11 115.31 122.30 2by2 h LEU 153 Ca 0.17 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2by2 h LEU 153 Cb 0.16 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2by2 h LEU 153 CO -0.19 1.13 0.15 0.50 0.09 0.00 0.00 178.44 180.12 2by2 h LYS 154 N 0.94 0.33 -0.09 1.13 1.63 -0.74 -2.47 116.57 117.29 2by2 h LYS 154 Ca 0.15 -0.03 -0.12 0.00 -0.85 0.00 0.00 60.65 59.80 2by2 h LYS 154 Cb 0.64 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.18 2by2 h LYS 154 CO 0.04 0.25 -0.50 1.49 -3.45 0.00 0.00 179.45 177.28 2by2 h GLU 155 N 0.31 0.23 -0.79 1.90 4.57 -0.93 -2.53 114.58 117.35 2by2 h GLU 155 Ca 0.09 -0.13 0.09 0.00 -1.18 0.00 0.00 59.36 58.22 2by2 h GLU 155 Cb 0.00 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.53 2by2 h GLU 155 CO -0.02 0.69 0.44 1.25 -1.18 0.00 0.00 179.01 180.19 2by2 h LEU 156 N 0.19 0.64 0.00 1.64 5.85 -0.52 -3.47 115.31 119.64 2by2 h LEU 156 Ca 0.01 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2by2 h LEU 156 Cb 0.95 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.91 2by2 h LEU 156 CO 0.08 0.37 0.00 0.61 -0.34 0.00 0.00 178.44 179.16 2by2 n GLY 157 N -1.31 1.20 3.83 3.75 0.00 -0.95 -4.44 105.19 107.26 2by2 n GLY 157 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2by2 n GLY 157 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2by2 s VAL 158 N -2.00 3.66 0.00 1.61 -7.23 -1.18 -4.91 120.40 110.35 2by2 s VAL 158 Ca 0.00 0.54 0.00 0.00 -1.81 0.00 0.00 61.98 60.71 2by2 s VAL 158 Cb 0.00 -3.34 0.00 0.00 0.56 0.00 0.00 36.38 33.60 2by2 s VAL 158 CO 0.00 -0.70 0.03 0.35 -0.31 0.00 0.00 175.10 174.46 2by2 n THR 159 N -3.20 0.00 -3.74 5.32 -2.24 -0.61 -4.65 114.28 105.17 2by2 n THR 159 Ca 0.07 -0.30 -0.12 0.00 -2.27 0.00 0.00 64.05 61.43 2by2 n THR 159 Cb 0.55 1.03 -0.12 0.00 -2.10 0.00 0.00 70.33 69.69 2by2 n THR 159 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2by2 s ALA 160 N -0.55 -0.69 -0.31 6.98 0.00 -0.85 -1.13 121.76 125.21 2by2 s ALA 160 Ca 0.00 1.02 -0.16 0.00 0.00 0.00 0.00 51.96 52.83 2by2 s ALA 160 Cb 0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 2by2 s ALA 160 CO 0.00 -0.19 0.39 0.42 0.00 0.00 0.00 175.76 176.38 2by2 s ILE 161 N 0.91 5.14 -0.46 0.00 -1.09 0.36 -0.86 121.20 125.20 2by2 s ILE 161 Ca -0.06 0.32 -0.15 0.00 -2.23 0.00 0.00 60.65 58.53 2by2 s ILE 161 Cb -0.07 -3.79 0.07 0.00 -1.58 0.00 0.00 42.46 37.09 2by2 s ILE 161 CO -0.06 -0.01 0.38 -1.58 -1.23 0.00 0.00 174.94 172.43 2by2 s GLN 162 N 2.11 2.93 0.00 2.79 2.00 0.43 0.00 119.66 129.92 2by2 s GLN 162 Ca 0.14 -1.35 0.00 0.00 -2.00 0.00 0.00 55.36 52.15 2by2 s GLN 162 Cb -0.16 -4.08 0.00 0.00 0.80 0.00 0.00 33.01 29.57 2by2 s GLN 162 CO 0.11 -1.01 0.00 0.28 -0.50 0.00 0.00 175.29 174.17 2by2 n VAL 163 N 5.17 0.00 -3.22 1.34 0.31 0.43 -0.83 118.33 121.54 2by2 n VAL 163 Ca -0.12 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.85 2by2 n VAL 163 Cb 0.44 -1.38 -0.06 0.00 -0.91 0.00 0.00 33.84 31.93 2by2 n VAL 163 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2by2 s PRO 165 N 1.75 4.15 0.00 5.55 0.02 -1.25 -1.05 135.00 144.16 2by2 s PRO 165 Ca 0.00 0.71 0.06 0.00 0.02 0.00 0.00 61.00 61.79 2by2 s PRO 165 Cb 0.00 -2.95 -0.01 0.00 0.02 0.00 0.00 34.50 31.56 2by2 s PRO 165 CO 0.00 0.46 0.45 1.28 -0.33 0.00 0.00 177.00 178.86 2by2 n LEU 166 N 0.88 0.85 -4.77 -5.54 4.77 -1.26 -4.52 117.00 107.40 2by2 n LEU 166 Ca -0.04 -0.73 -0.41 0.00 -0.03 0.00 0.00 56.01 54.79 2by2 n LEU 166 Cb 0.51 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.59 2by2 n LEU 166 CO 0.43 0.18 1.14 0.00 -1.33 0.00 0.00 177.39 177.81 2by2 s ALA 167 N -1.07 3.61 0.25 -1.18 0.00 -1.26 -0.15 121.76 121.96 2by2 s ALA 167 Ca 0.05 1.52 -0.31 0.00 0.00 0.00 0.00 51.96 53.21 2by2 s ALA 167 Cb 0.05 -3.60 -0.12 0.00 0.00 0.00 0.00 23.12 19.44 2by2 s ALA 167 CO 0.16 -0.97 1.56 0.00 0.00 0.00 0.00 175.76 176.52 2by2 n ALA 168 N 1.03 2.03 -2.45 0.00 0.00 0.75 -4.41 120.51 117.46 2by2 n ALA 168 Ca 0.03 0.40 -0.21 0.00 0.00 0.00 0.00 53.44 53.65 2by2 n ALA 168 Cb 0.39 -2.40 -0.10 0.00 0.00 0.00 0.00 19.45 17.33 2by2 n ALA 168 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2by2 s PHE 169 N 0.30 1.92 0.46 0.00 -0.12 -1.26 -0.09 117.98 119.18 2by2 s PHE 169 Ca 0.69 -1.00 -0.20 0.00 -0.05 0.00 0.00 56.93 56.37 2by2 s PHE 169 Cb -0.57 -1.25 -0.10 0.00 -0.63 0.00 0.00 43.02 40.48 2by2 s PHE 169 CO 0.45 -0.04 0.97 0.34 -0.05 0.00 0.00 175.22 176.88 2by2 s ASP 170 N -3.48 6.80 0.00 1.98 2.15 -1.26 -4.68 116.67 118.17 2by2 s ASP 170 Ca 0.36 1.69 0.00 0.00 0.43 0.00 0.00 52.55 55.02 2by2 s ASP 170 Cb 0.08 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 2by2 s ASP 170 CO 0.15 -0.46 0.00 0.61 -0.17 0.00 0.00 175.17 175.30 2by2 n GLY 171 N -0.81 -3.06 0.50 2.66 0.00 -1.25 -4.64 105.19 98.59 2by2 n GLY 171 Ca 0.07 -1.76 0.10 0.00 0.00 0.00 0.00 46.02 44.43 2by2 n GLY 171 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2by2 n GLN 172 N -0.61 1.51 -3.57 1.61 1.13 -1.26 -4.95 117.38 111.24 2by2 n GLN 172 Ca 0.00 -1.04 -0.11 0.00 -1.94 0.00 0.00 57.00 53.91 2by2 n GLN 172 Cb 0.00 -1.38 -0.04 0.00 0.11 0.00 0.00 30.24 28.93 2by2 n GLN 172 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 2by2 s ARG 173 N -2.12 1.13 0.00 -1.09 3.03 -1.26 -5.00 118.95 113.64 2by2 s ARG 173 Ca 0.17 -0.64 0.00 0.00 2.03 0.00 0.00 55.73 57.29 2by2 s ARG 173 Cb 0.16 0.50 0.00 0.00 -1.03 0.00 0.00 34.95 34.58 2by2 s ARG 173 CO 0.45 -0.46 0.00 0.41 -1.13 0.00 0.00 175.30 174.58 2by2 n GLY 174 N -0.27 1.34 0.26 3.88 0.00 -1.26 -3.36 105.19 105.78 2by2 n GLY 174 Ca -0.16 -0.78 -0.02 0.00 0.00 0.00 0.00 46.02 45.05 2by2 n GLY 174 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2by2 h TRP 175 N 0.00 0.61 0.00 1.61 4.06 -1.97 -3.48 115.95 116.78 2by2 h TRP 175 Ca 0.00 -0.09 0.00 0.00 2.06 0.00 0.00 58.89 60.86 2by2 h TRP 175 Cb 0.00 -0.16 0.00 0.00 -1.00 0.00 0.00 29.16 28.00 2by2 h TRP 175 CO 0.00 0.65 0.00 0.41 -3.56 0.00 0.00 178.44 175.94 2by2 n GLY 176 N -0.64 1.68 0.00 1.49 0.00 -1.26 -4.10 105.19 102.36 2by2 n GLY 176 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.17 2by2 n GLY 176 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2by2 n TYR 177 N 0.00 0.00 -0.36 1.61 4.01 -1.26 -2.08 117.16 119.07 2by2 n TYR 177 Ca 0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.84 2by2 n TYR 177 Cb 0.00 -0.15 0.33 0.00 -0.31 0.00 0.00 39.34 39.20 2by2 n TYR 177 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2by2 n ASP 178 N -1.15 4.22 -4.52 7.72 8.00 -1.26 -4.53 116.55 125.03 2by2 n ASP 178 Ca 0.17 -2.28 -0.46 0.00 0.71 0.00 0.00 54.79 52.93 2by2 n ASP 178 Cb 0.16 -0.53 -0.02 0.00 -0.02 0.00 0.00 41.12 40.71 2by2 n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2by2 n GLY 179 N 1.26 -0.78 0.00 0.44 0.00 -0.89 -3.50 105.19 101.73 2by2 n GLY 179 Ca 0.24 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.60 2by2 n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2by2 n ALA 180 N 0.22 1.36 -3.79 4.61 0.00 0.87 -0.86 120.51 122.91 2by2 n ALA 180 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.22 2by2 n ALA 180 Cb 0.29 0.09 -0.11 0.00 0.00 0.00 0.00 19.45 19.71 2by2 n ALA 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2by2 s ALA 181 N -1.36 3.40 0.32 0.00 0.00 -0.96 -4.55 121.76 118.62 2by2 s ALA 181 Ca 0.00 -3.07 0.35 0.00 0.00 0.00 0.00 51.96 49.24 2by2 s ALA 181 Cb 0.00 -2.48 1.65 0.00 0.00 0.00 0.00 23.12 22.29 2by2 s ALA 181 CO 0.00 -2.00 2.10 0.74 0.00 0.00 0.00 175.76 176.60 2by2 h PHE 182 N 7.19 0.00 -0.08 0.00 -1.00 -1.88 -2.46 116.94 118.71 2by2 h PHE 182 Ca -0.05 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.73 2by2 h PHE 182 Cb 0.97 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.53 2by2 h PHE 182 CO 0.63 0.04 0.00 0.66 -1.61 0.00 0.00 178.31 178.02 2by2 n TYR 183 N -3.21 0.08 -3.85 -0.55 4.01 -1.26 -4.65 117.16 107.74 2by2 n TYR 183 Ca -0.01 -0.04 -0.36 0.00 -0.16 0.00 0.00 57.90 57.33 2by2 n TYR 183 Cb 0.24 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.14 2by2 n TYR 183 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2by2 s ALA 184 N -1.92 2.92 0.24 -0.72 0.00 -0.94 -4.35 121.76 116.99 2by2 s ALA 184 Ca 0.34 -1.90 -0.31 0.00 0.00 0.00 0.00 51.96 50.10 2by2 s ALA 184 Cb 0.20 -2.09 -0.11 0.00 0.00 0.00 0.00 23.12 21.13 2by2 s ALA 184 CO 0.31 -1.38 1.53 -2.14 0.00 0.00 0.00 175.76 174.09 2by2 s PRO 185 N 1.26 4.20 -0.16 0.00 0.02 -1.26 -0.18 135.00 138.90 2by2 s PRO 185 Ca -0.02 2.41 -0.33 0.00 0.02 0.00 0.00 61.00 63.08 2by2 s PRO 185 Cb -0.20 -3.10 -0.10 0.00 0.02 0.00 0.00 34.50 31.12 2by2 s PRO 185 CO -0.01 -0.55 2.00 0.98 -0.33 0.00 0.00 177.00 179.10 2by2 n TYR 186 N 2.84 2.14 -0.28 6.54 9.36 0.79 -4.66 117.16 133.89 2by2 n TYR 186 Ca 0.10 0.01 0.03 0.00 3.32 0.00 0.00 57.90 61.35 2by2 n TYR 186 Cb 0.39 -2.66 0.24 0.00 -0.63 0.00 0.00 39.34 36.68 2by2 n TYR 186 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2by2 h ALA 187 N 10.87 1.50 -0.13 2.98 0.00 -1.81 -1.61 119.26 131.06 2by2 h ALA 187 Ca -0.43 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.48 2by2 h ALA 187 Cb 1.27 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2by2 h ALA 187 CO 0.96 0.40 0.15 -1.35 0.00 0.00 0.00 179.25 179.42 2by2 h PRO 188 N 1.03 0.00 0.00 0.00 0.11 -1.94 -1.11 132.00 130.09 2by2 h PRO 188 Ca 0.35 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.45 2by2 h PRO 188 Cb 0.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.20 2by2 h PRO 188 CO -0.11 0.00 -0.06 1.88 -0.21 0.00 0.00 178.00 179.49 2by2 h TYR 189 N 0.00 0.00 0.00 0.65 0.99 -1.52 -3.44 116.97 113.65 2by2 h TYR 189 Ca 0.06 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.79 2by2 h TYR 189 Cb 0.36 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.09 2by2 h TYR 189 CO 0.00 0.06 0.00 0.41 -0.00 0.00 0.00 178.16 178.63 2by2 n GLY 190 N 0.70 2.92 3.92 3.88 0.00 -0.42 -1.00 105.19 115.19 2by2 n GLY 190 Ca 0.02 -1.64 -0.27 0.00 0.00 0.00 0.00 46.02 44.14 2by2 n GLY 190 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2by2 s ARG 191 N -1.96 2.12 0.26 1.61 0.52 -1.26 -4.48 118.95 115.75 2by2 s ARG 191 Ca 0.00 -0.13 -0.02 0.00 -0.52 0.00 0.00 55.73 55.06 2by2 s ARG 191 Cb 0.00 -2.09 0.51 0.00 0.52 0.00 0.00 34.95 33.89 2by2 s ARG 191 CO 0.00 -1.36 1.74 -1.35 0.02 0.00 0.00 175.30 174.34 2by2 h PRO 192 N -0.76 0.48 0.00 3.54 0.11 -1.92 -0.29 132.00 133.16 2by2 h PRO 192 Ca -0.45 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 2by2 h PRO 192 Cb 1.32 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2by2 h PRO 192 CO 0.62 0.32 -0.11 1.05 -0.21 0.00 0.00 178.00 179.67 2by2 h GLU 193 N 0.49 0.00 -0.19 1.05 9.09 -2.01 -1.97 114.58 121.04 2by2 h GLU 193 Ca 0.44 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.68 2by2 h GLU 193 Cb 0.68 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.78 2by2 h GLU 193 CO -0.41 0.11 -0.58 -0.44 0.05 0.00 0.00 179.01 177.75 2by2 h ASP 194 N 0.00 0.68 0.00 3.06 3.32 -1.42 -0.84 116.42 121.22 2by2 h ASP 194 Ca -0.00 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.67 2by2 h ASP 194 Cb 0.57 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2by2 h ASP 194 CO 0.01 1.11 0.00 -0.11 -1.72 0.00 0.00 179.24 178.53 2by2 n LEU 195 N -3.95 0.80 0.00 1.55 7.94 -0.74 -1.76 117.00 120.83 2by2 n LEU 195 Ca -0.04 -0.40 0.00 0.00 -1.11 0.00 0.00 56.01 54.47 2by2 n LEU 195 Cb 0.62 -0.17 0.00 0.00 0.53 0.00 0.00 43.42 44.40 2by2 n LEU 195 CO 0.48 0.14 0.00 0.00 -1.11 0.00 0.00 177.39 176.90 2by2 n ALA 197 N 0.65 0.00 -0.05 1.96 0.00 -0.32 -1.59 120.51 121.15 2by2 n ALA 197 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2by2 n ALA 197 Cb 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.54 2by2 n ALA 197 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2by2 h LEU 198 N 0.00 0.29 -0.41 0.00 5.85 -1.62 -0.86 115.31 118.56 2by2 h LEU 198 Ca 0.00 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 2by2 h LEU 198 Cb 0.00 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 2by2 h LEU 198 CO 0.00 0.53 0.15 0.58 -0.34 0.00 0.00 178.44 179.36 2by2 h VAL 199 N 0.04 1.20 -0.69 1.05 2.07 -1.58 -0.48 116.25 117.86 2by2 h VAL 199 Ca 0.05 -0.63 0.04 0.00 0.82 0.00 0.00 66.70 66.98 2by2 h VAL 199 Cb 0.38 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 2by2 h VAL 199 CO 0.01 0.23 0.41 -0.78 0.02 0.00 0.00 177.57 177.46 2by2 h ASP 200 N 0.51 0.65 -0.63 0.57 3.58 -1.81 -0.53 116.42 118.77 2by2 h ASP 200 Ca 0.13 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.55 2by2 h ASP 200 Cb 0.21 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.11 2by2 h ASP 200 CO -0.01 0.44 0.23 0.00 -2.88 0.00 0.00 179.24 177.01 2by2 h ALA 201 N 1.32 0.82 -0.08 -0.78 0.00 -0.88 -0.77 119.26 118.89 2by2 h ALA 201 Ca 0.29 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2by2 h ALA 201 Cb 0.09 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2by2 h ALA 201 CO -0.14 0.47 0.05 0.00 0.00 0.00 0.00 179.25 179.63 2by2 h ALA 202 N 1.09 0.10 -0.96 0.00 0.00 -0.62 -2.27 119.26 116.61 2by2 h ALA 202 Ca 0.21 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.13 2by2 h ALA 202 Cb 0.25 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 2by2 h ALA 202 CO -0.01 -0.39 0.63 0.45 0.00 0.00 0.00 179.25 179.93 2by2 h HIS 203 N 0.09 1.18 -0.13 0.00 -0.00 -0.86 0.02 115.15 115.45 2by2 h HIS 203 Ca 0.03 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.42 2by2 h HIS 203 Cb 0.01 -0.40 -0.01 0.00 -0.00 0.00 0.00 27.41 27.02 2by2 h HIS 203 CO -0.06 0.70 0.03 0.00 -0.00 0.00 0.00 177.93 178.60 2by2 h ARG 204 N 1.23 0.18 -0.01 2.45 2.47 -0.78 0.06 114.38 119.98 2by2 h ARG 204 Ca 0.37 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.08 2by2 h ARG 204 Cb -0.03 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.25 2by2 h ARG 204 CO -0.11 0.17 -0.01 1.28 0.56 0.00 0.00 179.97 181.87 2by2 n LEU 205 N -4.46 0.86 0.00 3.04 4.77 -0.64 -4.92 117.00 115.64 2by2 n LEU 205 Ca -0.01 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 2by2 n LEU 205 Cb 0.12 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2by2 n LEU 205 CO 0.35 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 2by2 n GLY 206 N 1.11 0.46 3.71 -0.72 0.00 0.01 -5.02 105.19 104.74 2by2 n GLY 206 Ca 0.21 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 2by2 n GLY 206 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2by2 s LEU 207 N 0.00 3.81 0.56 0.99 1.43 -0.10 -4.98 118.68 120.38 2by2 s LEU 207 Ca 0.00 0.20 -0.08 0.00 -1.03 0.00 0.00 54.13 53.22 2by2 s LEU 207 Cb 0.00 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 2by2 s LEU 207 CO 0.00 0.33 0.92 -0.83 0.23 0.00 0.00 176.35 177.00 2by2 s GLY 208 N -0.61 1.58 -0.05 -3.19 0.00 -0.28 -3.45 107.32 101.32 2by2 s GLY 208 Ca 0.11 -0.31 -0.00 0.00 0.00 0.00 0.00 44.72 44.51 2by2 s GLY 208 CO 0.02 -0.09 -0.00 0.14 0.00 0.00 0.00 173.10 173.17 2by2 s VAL 209 N -2.98 0.31 0.12 1.40 1.01 -1.26 -0.49 120.40 118.51 2by2 s VAL 209 Ca 0.52 0.09 0.11 0.00 0.00 0.00 0.00 61.98 62.69 2by2 s VAL 209 Cb -0.11 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 2by2 s VAL 209 CO 0.49 0.21 -0.27 -0.36 0.00 0.00 0.00 175.10 175.18 2by2 s PHE 210 N 1.49 2.30 -0.09 5.22 2.99 0.10 -0.11 117.98 129.89 2by2 s PHE 210 Ca -0.03 -0.38 0.04 0.00 0.00 0.00 0.00 56.93 56.56 2by2 s PHE 210 Cb -0.13 -1.26 0.00 0.00 0.00 0.00 0.00 43.02 41.63 2by2 s PHE 210 CO -0.03 0.31 -0.22 -1.17 -0.00 0.00 0.00 175.22 174.12 2by2 s LEU 211 N -1.96 2.00 -0.15 -0.37 2.96 -0.57 -0.42 118.68 120.17 2by2 s LEU 211 Ca 0.14 -0.50 -0.29 0.00 -0.22 0.00 0.00 54.13 53.26 2by2 s LEU 211 Cb -0.10 -1.28 -0.01 0.00 0.50 0.00 0.00 46.19 45.30 2by2 s LEU 211 CO 0.05 0.15 1.16 -0.62 -1.32 0.00 0.00 176.35 175.78 2by2 s ASP 212 N 0.31 7.04 0.11 3.68 -1.08 -0.22 -0.48 116.67 126.03 2by2 s ASP 212 Ca -0.15 1.62 0.09 0.00 -0.52 0.00 0.00 52.55 53.59 2by2 s ASP 212 Cb -0.17 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 38.71 2by2 s ASP 212 CO 0.07 -0.66 -0.22 0.68 0.52 0.00 0.00 175.17 175.56 2by2 s VAL 213 N 2.96 1.84 -0.48 1.11 -7.23 -0.41 -3.86 120.40 114.33 2by2 s VAL 213 Ca 0.51 -1.58 0.04 0.00 -1.81 0.00 0.00 61.98 59.14 2by2 s VAL 213 Cb -0.20 -1.66 0.13 0.00 0.56 0.00 0.00 36.38 35.20 2by2 s VAL 213 CO 0.14 -0.01 0.22 -0.69 -0.31 0.00 0.00 175.10 174.46 2by2 s VAL 214 N -1.12 2.37 -0.55 1.32 1.01 -1.26 -0.83 120.40 121.34 2by2 s VAL 214 Ca 0.08 -3.06 0.16 0.00 0.00 0.00 0.00 61.98 59.16 2by2 s VAL 214 Cb -0.10 -2.67 0.60 0.00 0.00 0.00 0.00 36.38 34.21 2by2 s VAL 214 CO 0.05 -0.78 1.51 -1.22 0.00 0.00 0.00 175.10 174.65 2by2 n TYR 215 N 3.35 1.21 0.37 5.22 4.01 -1.26 -4.25 117.16 125.81 2by2 n TYR 215 Ca 0.05 -0.72 0.08 0.00 -0.16 0.00 0.00 57.90 57.15 2by2 n TYR 215 Cb 0.34 -0.29 -0.11 0.00 -0.31 0.00 0.00 39.34 38.97 2by2 n TYR 215 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2by2 n ASN 216 N 0.27 0.94 -3.45 7.72 0.23 -1.26 -4.99 115.26 114.72 2by2 n ASN 216 Ca 0.22 -0.43 -0.11 0.00 -0.53 0.00 0.00 54.58 53.73 2by2 n ASN 216 Cb 0.87 1.41 -0.02 0.00 -2.08 0.00 0.00 39.78 39.96 2by2 n ASN 216 CO 0.00 0.00 0.00 -1.38 -0.93 0.00 0.00 177.26 174.95 2by2 s HIS 217 N -2.89 -0.48 0.09 -2.53 -3.43 -1.26 -4.61 115.29 100.17 2by2 s HIS 217 Ca -0.00 0.31 0.04 0.00 -0.80 0.00 0.00 55.06 54.60 2by2 s HIS 217 Cb 0.12 0.55 -0.04 0.00 -1.43 0.00 0.00 32.58 31.78 2by2 s HIS 217 CO 0.70 -0.76 0.07 -0.06 -2.00 0.00 0.00 174.74 172.69 2by2 s PHE 218 N -3.52 3.15 1.03 0.38 0.08 -1.26 -4.92 117.98 112.91 2by2 s PHE 218 Ca 0.02 0.05 -0.12 0.00 0.12 0.00 0.00 56.93 57.00 2by2 s PHE 218 Cb -0.01 -1.59 0.20 0.00 -0.57 0.00 0.00 43.02 41.05 2by2 s PHE 218 CO -0.11 0.51 1.07 0.20 -0.10 0.00 0.00 175.22 176.79 2by2 s GLY 219 N -2.45 1.58 0.40 4.36 0.00 -0.04 -4.69 107.32 106.47 2by2 s GLY 219 Ca 0.29 -0.10 0.28 0.00 0.00 0.00 0.00 44.72 45.18 2by2 s GLY 219 CO 0.21 0.50 1.80 -0.56 0.00 0.00 0.00 173.10 175.05 2by2 h PRO 220 N -2.08 0.00 -4.37 2.90 0.13 -1.89 -3.41 132.00 123.28 2by2 h PRO 220 Ca -0.55 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.09 2by2 h PRO 220 Cb 1.31 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 32.10 2by2 h PRO 220 CO 0.52 0.00 -0.80 0.45 -0.23 0.00 0.00 178.00 177.94 2by2 s SER 221 N -5.29 1.63 0.00 1.44 0.15 -1.26 -4.79 113.70 105.58 2by2 s SER 221 Ca 0.05 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.44 2by2 s SER 221 Cb 0.09 -0.74 0.00 0.00 -1.71 0.00 0.00 66.02 63.66 2by2 s SER 221 CO 0.55 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.59 2by2 n GLY 222 N 4.03 0.78 3.40 9.45 0.00 -1.26 -4.36 105.19 117.23 2by2 n GLY 222 Ca -0.22 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.36 2by2 n GLY 222 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2by2 s ASN 223 N -2.43 6.17 -0.06 1.61 2.47 -1.26 -4.53 114.94 116.90 2by2 s ASN 223 Ca 0.00 -1.22 0.19 0.00 0.42 0.00 0.00 52.86 52.25 2by2 s ASN 223 Cb 0.00 -2.21 0.64 0.00 -1.45 0.00 0.00 41.25 38.23 2by2 s ASN 223 CO 0.00 -0.71 1.55 -1.22 -3.72 0.00 0.00 177.10 173.00 2by2 n TYR 224 N 5.44 1.15 -0.36 0.43 4.01 -1.26 -4.61 117.16 121.97 2by2 n TYR 224 Ca -0.11 -0.57 0.04 0.00 -0.16 0.00 0.00 57.90 57.10 2by2 n TYR 224 Cb 0.44 -0.13 0.19 0.00 -0.31 0.00 0.00 39.34 39.53 2by2 n TYR 224 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2by2 h LEU 225 N 3.83 0.96 -2.16 7.72 3.38 -1.93 0.01 115.31 127.11 2by2 h LEU 225 Ca 0.00 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2by2 h LEU 225 Cb 1.20 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 2by2 h LEU 225 CO 0.12 0.57 -0.05 0.28 0.09 0.00 0.00 178.44 179.45 2by2 h SER 226 N 1.07 0.00 0.26 -0.43 0.02 -1.82 -0.84 113.55 111.82 2by2 h SER 226 Ca 0.45 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.35 2by2 h SER 226 Cb 0.30 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 2by2 h SER 226 CO -0.21 0.05 -0.22 0.28 -1.14 0.00 0.00 176.83 175.59 2by2 h SER 227 N 0.00 0.00 0.03 3.07 0.02 -1.33 -3.13 113.55 112.21 2by2 h SER 227 Ca -0.00 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.74 2by2 h SER 227 Cb 0.13 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 2by2 h SER 227 CO 0.01 0.22 -1.11 1.88 -1.14 0.00 0.00 176.83 176.69 2by2 h TYR 228 N 0.00 0.10 -2.11 3.45 0.05 -1.25 -3.46 116.97 113.75 2by2 h TYR 228 Ca -0.00 -0.08 -0.10 0.00 0.05 0.00 0.00 58.73 58.60 2by2 h TYR 228 Cb 0.41 -0.00 -0.28 0.00 1.01 0.00 0.00 36.73 37.87 2by2 h TYR 228 CO 0.00 1.43 -0.41 0.00 -1.05 0.00 0.00 178.16 178.14 2by2 s ALA 229 N -2.37 -1.23 0.57 3.88 0.00 -0.45 -1.40 121.76 120.78 2by2 s ALA 229 Ca -0.25 1.28 0.27 0.00 0.00 0.00 0.00 51.96 53.25 2by2 s ALA 229 Cb 0.04 -1.55 1.61 0.00 0.00 0.00 0.00 23.12 23.22 2by2 s ALA 229 CO 0.65 -1.03 2.13 -1.35 0.00 0.00 0.00 175.76 176.16 2by2 h PRO 230 N 8.16 0.00 0.00 0.00 0.11 -1.79 -2.28 132.00 136.20 2by2 h PRO 230 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 2by2 h PRO 230 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2by2 h PRO 230 CO 0.20 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.86 2by2 n SER 231 N -3.99 0.00 0.28 -2.05 3.41 -1.26 -1.75 113.62 108.26 2by2 n SER 231 Ca 0.01 -0.65 0.13 0.00 -0.26 0.00 0.00 58.87 58.10 2by2 n SER 231 Cb 0.27 0.00 0.79 0.00 -0.26 0.00 0.00 64.21 65.00 2by2 n SER 231 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 2by2 h TYR 232 N 0.00 0.00 -2.09 7.33 0.05 -1.75 -3.45 116.97 117.06 2by2 h TYR 232 Ca 0.00 0.00 -0.61 0.00 0.05 0.00 0.00 58.73 58.17 2by2 h TYR 232 Cb 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 37.61 2by2 h TYR 232 CO 0.00 0.06 -0.72 -0.06 -1.05 0.00 0.00 178.16 176.39 2by2 s PHE 233 N -4.51 2.37 0.11 4.88 0.08 -0.72 -1.17 117.98 119.02 2by2 s PHE 233 Ca -0.04 -0.39 0.06 0.00 0.12 0.00 0.00 56.93 56.68 2by2 s PHE 233 Cb 0.15 -1.18 -0.04 0.00 -0.57 0.00 0.00 43.02 41.39 2by2 s PHE 233 CO 0.58 0.65 -0.15 -0.08 -0.10 0.00 0.00 175.22 176.12 2by2 s THR 234 N -2.54 1.38 -2.51 0.64 -1.32 0.35 -4.73 115.64 106.91 2by2 s THR 234 Ca 0.31 -1.60 0.25 0.00 -1.21 0.00 0.00 61.69 59.44 2by2 s THR 234 Cb -0.02 -1.45 0.46 0.00 -1.51 0.00 0.00 72.50 69.99 2by2 s THR 234 CO 0.16 -0.30 1.59 -0.90 -2.21 0.00 0.00 174.62 172.96 2by2 n ASP 235 N 0.79 1.91 -0.14 8.08 5.68 -1.26 -2.31 116.55 129.29 2by2 n ASP 235 Ca -0.17 -1.67 -0.02 0.00 -0.50 0.00 0.00 54.79 52.43 2by2 n ASP 235 Cb 0.56 -0.05 0.22 0.00 -1.14 0.00 0.00 41.12 40.71 2by2 n ASP 235 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 2by2 h ARG 236 N 2.82 0.85 -3.75 0.11 2.43 -1.95 -3.45 114.38 111.44 2by2 h ARG 236 Ca 0.00 -0.13 -0.08 0.00 -0.81 0.00 0.00 59.98 58.95 2by2 h ARG 236 Cb 0.61 -0.15 -0.14 0.00 -0.42 0.00 0.00 29.97 29.87 2by2 h ARG 236 CO 0.00 0.70 -0.32 -0.59 -1.51 0.00 0.00 179.97 178.26 2by2 s PHE 237 N -5.39 0.13 0.29 2.20 -0.12 -1.26 -5.11 117.98 108.73 2by2 s PHE 237 Ca -0.10 -0.53 0.11 0.00 -0.05 0.00 0.00 56.93 56.35 2by2 s PHE 237 Cb 0.16 -0.01 -0.05 0.00 -0.63 0.00 0.00 43.02 42.49 2by2 s PHE 237 CO 0.79 -0.59 -0.10 -1.12 -0.05 0.00 0.00 175.22 174.15 2by2 s SER 238 N -2.87 3.97 0.23 1.98 0.01 -1.26 -1.24 113.70 114.53 2by2 s SER 238 Ca 0.06 -0.92 0.04 0.00 1.31 0.00 0.00 55.95 56.44 2by2 s SER 238 Cb 0.04 -0.50 0.04 0.00 0.21 0.00 0.00 66.02 65.81 2by2 s SER 238 CO -0.10 -0.03 0.32 -1.20 0.41 0.00 0.00 173.24 172.64 2by2 n SER 239 N -0.77 0.90 0.25 2.44 7.64 0.29 -4.64 113.62 119.73 2by2 n SER 239 Ca -0.05 -1.63 0.08 0.00 1.01 0.00 0.00 58.87 58.28 2by2 n SER 239 Cb 0.60 -0.16 0.63 0.00 -1.01 0.00 0.00 64.21 64.27 2by2 n SER 239 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2by2 h ALA 240 N 0.36 1.74 0.00 -0.43 0.00 -1.94 -3.28 119.26 115.71 2by2 h ALA 240 Ca -0.11 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 2by2 h ALA 240 Cb 0.51 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2by2 h ALA 240 CO 0.16 0.11 -1.47 0.91 0.00 0.00 0.00 179.25 178.96 2by2 n TRP 241 N -4.26 0.00 0.00 0.00 5.03 -1.26 -5.11 117.44 111.83 2by2 n TRP 241 Ca -0.03 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.50 2by2 n TRP 241 Cb 0.17 -0.29 0.00 0.00 -1.03 0.00 0.00 31.31 30.16 2by2 n TRP 241 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 2by2 n GLY 242 N 2.24 -1.99 3.72 6.99 0.00 -1.24 -4.85 105.19 110.07 2by2 n GLY 242 Ca -0.07 0.68 -0.26 0.00 0.00 0.00 0.00 46.02 46.37 2by2 n GLY 242 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2by2 s GLY 244 N 0.00 1.70 -0.13 -0.02 0.00 -0.37 -0.55 107.32 107.94 2by2 s GLY 244 Ca 0.00 -1.33 -0.29 0.00 0.00 0.00 0.00 44.72 43.10 2by2 s GLY 244 CO 0.00 -1.35 1.08 1.08 0.00 0.00 0.00 173.10 173.91 2by2 s LEU 245 N -3.10 4.21 -0.81 0.66 1.02 -1.26 -0.50 118.68 118.90 2by2 s LEU 245 Ca 0.29 1.56 -0.18 0.00 0.02 0.00 0.00 54.13 55.82 2by2 s LEU 245 Cb -0.09 -3.55 0.13 0.00 0.02 0.00 0.00 46.19 42.70 2by2 s LEU 245 CO 0.21 -0.57 0.96 -0.62 0.02 0.00 0.00 176.35 176.35 2by2 s ASP 246 N 1.29 6.50 0.00 2.29 -1.08 -0.32 -4.79 116.67 120.57 2by2 s ASP 246 Ca 0.49 -1.89 0.22 0.00 -0.52 0.00 0.00 52.55 50.85 2by2 s ASP 246 Cb -0.19 -2.35 1.27 0.00 -1.46 0.00 0.00 42.92 40.19 2by2 s ASP 246 CO 0.15 -1.04 1.69 -1.22 0.52 0.00 0.00 175.17 175.27 2by2 n TYR 247 N 6.23 0.00 0.42 -5.34 4.01 -1.26 -1.24 117.16 119.97 2by2 n TYR 247 Ca 0.12 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.99 2by2 n TYR 247 Cb 0.47 -0.06 0.42 0.00 -0.31 0.00 0.00 39.34 39.86 2by2 n TYR 247 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2by2 h ALA 248 N 3.31 1.00 -2.39 -0.72 0.00 -1.89 -3.43 119.26 115.14 2by2 h ALA 248 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 2by2 h ALA 248 Cb 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.66 2by2 h ALA 248 CO 0.00 0.00 -0.11 -2.00 0.00 0.00 0.00 179.25 177.14 2by2 s GLU 249 N -3.27 3.36 0.43 0.00 2.56 -0.37 -4.97 118.70 116.43 2by2 s GLU 249 Ca 0.07 -0.45 0.18 0.00 0.00 0.00 0.00 54.97 54.77 2by2 s GLU 249 Cb 0.09 -3.89 1.11 0.00 2.00 0.00 0.00 34.13 33.44 2by2 s GLU 249 CO 0.56 -0.77 1.87 -1.35 -0.56 0.00 0.00 175.26 175.00 2by2 h PRO 250 N 8.64 0.36 -1.67 4.30 0.11 -1.86 -1.97 132.00 139.91 2by2 h PRO 250 Ca -0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2by2 h PRO 250 Cb 1.12 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2by2 h PRO 250 CO 0.79 0.24 0.00 0.72 -0.21 0.00 0.00 178.00 179.54 2by2 n HIS 251 N -4.49 0.00 0.00 0.65 8.25 -1.26 -0.58 115.22 117.79 2by2 n HIS 251 Ca 0.19 -0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2by2 n HIS 251 Cb 0.70 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.65 2by2 n HIS 251 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2by2 n ARG 253 N 0.86 0.00 0.23 -0.41 1.74 -0.74 -1.17 116.66 117.16 2by2 n ARG 253 Ca 0.00 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.18 2by2 n ARG 253 Cb 0.17 0.00 0.53 0.00 -1.02 0.00 0.00 32.46 32.13 2by2 n ARG 253 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2by2 h ARG 254 N 0.00 0.00 -0.51 5.56 3.08 -1.12 -0.84 114.38 120.56 2by2 h ARG 254 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 2by2 h ARG 254 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 2by2 h ARG 254 CO 0.00 0.21 0.33 -0.92 -1.07 0.00 0.00 179.97 178.52 2by2 h TYR 255 N 0.00 0.63 0.17 3.04 3.20 -1.39 0.14 116.97 122.77 2by2 h TYR 255 Ca -0.00 0.02 -0.30 0.00 3.14 0.00 0.00 58.73 61.58 2by2 h TYR 255 Cb 0.64 -0.21 0.02 0.00 1.54 0.00 0.00 36.73 38.71 2by2 h TYR 255 CO 0.00 0.39 -1.39 -0.39 -1.64 0.00 0.00 178.16 175.13 2by2 h VAL 256 N 0.68 1.36 -0.36 1.81 -1.51 -1.76 -2.53 116.25 113.94 2by2 h VAL 256 Ca 0.19 -2.88 -0.12 0.00 -1.23 0.00 0.00 66.70 62.65 2by2 h VAL 256 Cb -0.07 2.95 -0.01 0.00 -2.13 0.00 0.00 31.29 32.03 2by2 h VAL 256 CO -0.05 0.85 -0.27 0.71 -1.23 0.00 0.00 177.57 177.58 2by2 h THR 257 N 0.10 1.28 -0.43 7.19 1.35 -1.11 -0.14 112.91 121.15 2by2 h THR 257 Ca -0.20 -1.40 -0.04 0.00 -0.55 0.00 0.00 66.41 64.22 2by2 h THR 257 Cb 2.05 1.29 -0.02 0.00 -1.73 0.00 0.00 68.15 69.74 2by2 h THR 257 CO 0.22 0.46 0.12 1.23 -0.25 0.00 0.00 175.52 177.31 2by2 h GLY 258 N 0.96 0.68 0.79 5.82 0.00 -0.82 -1.70 103.07 108.80 2by2 h GLY 258 Ca 0.08 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 2by2 h GLY 258 CO 0.07 0.33 -0.04 -0.57 0.00 0.00 0.00 176.54 176.33 2by2 h ASN 259 N 0.62 0.36 -0.57 0.19 -0.73 -0.97 -3.08 115.58 111.40 2by2 h ASN 259 Ca 0.14 -0.36 0.04 0.00 1.87 0.00 0.00 56.30 57.99 2by2 h ASN 259 Cb 0.21 -0.10 -0.04 0.00 0.27 0.00 0.00 38.32 38.66 2by2 h ASN 259 CO -0.01 0.64 0.32 0.00 -0.37 0.00 0.00 177.43 178.01 2by2 h ALA 260 N 0.73 0.75 0.00 1.57 0.00 -0.85 -1.74 119.26 119.72 2by2 h ALA 260 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2by2 h ALA 260 Cb 0.48 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2by2 h ALA 260 CO 0.02 0.01 0.00 0.54 0.00 0.00 0.00 179.25 179.82 2by2 n ARG 261 N -4.81 0.12 0.00 0.00 1.74 -0.66 -2.07 116.66 110.98 2by2 n ARG 261 Ca 0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 2by2 n ARG 261 Cb 0.12 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 2by2 n ARG 261 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 2by2 n TRP 263 N 1.05 0.00 -0.02 -1.55 5.03 -0.66 -0.12 117.44 121.18 2by2 n TRP 263 Ca 0.00 0.00 -0.13 0.00 3.03 0.00 0.00 57.50 60.40 2by2 n TRP 263 Cb 0.06 0.00 -0.10 0.00 -1.03 0.00 0.00 31.31 30.24 2by2 n TRP 263 CO 0.00 0.00 0.00 -0.07 -0.03 0.00 0.00 177.69 177.59 2by2 h LEU 264 N 0.00 -0.01 0.05 -0.99 3.38 -1.66 -2.46 115.31 113.62 2by2 h LEU 264 Ca 0.00 -0.55 -0.08 0.00 0.09 0.00 0.00 57.88 57.34 2by2 h LEU 264 Cb 0.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.76 2by2 h LEU 264 CO 0.00 0.55 -0.34 -0.09 0.09 0.00 0.00 178.44 178.64 2by2 h ARG 265 N -0.56 0.15 0.00 1.13 2.43 -0.77 -2.12 114.38 114.64 2by2 h ARG 265 Ca -0.00 -0.22 -0.19 0.00 -0.81 0.00 0.00 59.98 58.75 2by2 h ARG 265 Cb 0.55 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 2by2 h ARG 265 CO 0.00 1.06 -1.31 -0.44 -1.51 0.00 0.00 179.97 177.78 2by2 h ASP 266 N -0.65 0.00 -0.06 -3.80 3.32 -1.73 -3.31 116.42 110.18 2by2 h ASP 266 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2by2 h ASP 266 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2by2 h ASP 266 CO 0.07 0.71 0.00 -1.22 -1.72 0.00 0.00 179.24 177.07 2by2 n TYR 267 N -3.02 0.06 -1.55 4.55 4.01 -1.11 -5.01 117.16 115.09 2by2 n TYR 267 Ca -0.09 -0.05 -0.15 0.00 -0.16 0.00 0.00 57.90 57.45 2by2 n TYR 267 Cb 0.88 -0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.85 2by2 n TYR 267 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2by2 n HIS 268 N 0.75 -0.09 -1.51 -0.72 8.25 -0.80 -4.87 115.22 116.22 2by2 n HIS 268 Ca 0.08 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.19 2by2 n HIS 268 Cb 0.35 -2.75 0.09 0.00 1.12 0.00 0.00 29.99 28.80 2by2 n HIS 268 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2by2 s PHE 269 N -2.59 2.03 -0.84 4.41 0.08 -0.95 -4.89 117.98 115.23 2by2 s PHE 269 Ca 0.00 1.57 0.23 0.00 0.12 0.00 0.00 56.93 58.85 2by2 s PHE 269 Cb 0.00 -3.55 0.08 0.00 -0.57 0.00 0.00 43.02 38.97 2by2 s PHE 269 CO 0.00 -2.75 1.08 -0.25 -0.10 0.00 0.00 175.22 173.20 2by2 n ASP 270 N -2.48 0.69 -3.59 1.36 8.00 0.85 -4.56 116.55 116.82 2by2 n ASP 270 Ca 0.14 -0.48 0.01 0.00 0.71 0.00 0.00 54.79 55.18 2by2 n ASP 270 Cb 0.49 0.74 -0.01 0.00 -0.02 0.00 0.00 41.12 42.33 2by2 n ASP 270 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2by2 s GLY 271 N -3.27 -0.40 0.04 0.44 0.00 -1.23 -1.35 107.32 101.54 2by2 s GLY 271 Ca 0.07 1.17 0.07 0.00 0.00 0.00 0.00 44.72 46.02 2by2 s GLY 271 CO 0.80 0.29 -0.19 1.08 0.00 0.00 0.00 173.10 175.08 2by2 s LEU 272 N -2.72 2.16 -0.30 0.66 1.43 -0.47 -1.52 118.68 117.92 2by2 s LEU 272 Ca 0.14 -0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 52.68 2by2 s LEU 272 Cb 0.05 -0.91 0.02 0.00 0.03 0.00 0.00 46.19 45.38 2by2 s LEU 272 CO -0.05 0.14 0.06 -0.60 0.23 0.00 0.00 176.35 176.14 2by2 s ARG 273 N -1.11 2.87 -0.44 1.70 3.00 0.37 -0.70 118.95 124.64 2by2 s ARG 273 Ca 0.06 -1.00 -0.26 0.00 -1.00 0.00 0.00 55.73 53.53 2by2 s ARG 273 Cb -0.08 -3.33 0.02 0.00 0.00 0.00 0.00 34.95 31.56 2by2 s ARG 273 CO 0.01 -0.52 0.98 -0.51 0.00 0.00 0.00 175.30 175.27 2by2 s LEU 274 N 1.43 3.92 0.37 -0.88 1.43 0.13 -1.28 118.68 123.79 2by2 s LEU 274 Ca 0.00 0.34 -0.28 0.00 -1.03 0.00 0.00 54.13 53.17 2by2 s LEU 274 Cb -0.18 -3.30 -0.10 0.00 0.03 0.00 0.00 46.19 42.64 2by2 s LEU 274 CO 0.01 -1.04 1.41 -0.62 0.23 0.00 0.00 176.35 176.34 2by2 s ASP 275 N 2.19 6.46 -1.35 2.29 2.15 -0.01 -0.81 116.67 127.59 2by2 s ASP 275 Ca 0.40 2.89 -0.14 0.00 0.43 0.00 0.00 52.55 56.12 2by2 s ASP 275 Cb -0.10 -2.66 0.01 0.00 -0.30 0.00 0.00 42.92 39.87 2by2 s ASP 275 CO 0.25 -0.77 0.43 0.00 -0.17 0.00 0.00 175.17 174.91 2by2 n ALA 276 N 0.51 -2.28 0.24 3.66 0.00 -1.14 -4.48 120.51 117.02 2by2 n ALA 276 Ca 0.01 -0.41 0.15 0.00 0.00 0.00 0.00 53.44 53.19 2by2 n ALA 276 Cb 0.41 -2.04 0.83 0.00 0.00 0.00 0.00 19.45 18.64 2by2 n ALA 276 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2by2 h THR 277 N -2.09 0.60 0.00 0.00 1.35 -1.50 -1.71 112.91 109.55 2by2 h THR 277 Ca -0.67 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 2by2 h THR 277 Cb 1.39 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 2by2 h THR 277 CO 0.59 0.00 0.00 -0.65 -0.25 0.00 0.00 175.52 175.21 2by2 h PRO 278 N 0.00 0.00 -3.74 4.72 0.11 -1.89 -3.44 132.00 127.76 2by2 h PRO 278 Ca 0.05 0.00 -0.76 0.00 0.11 0.00 0.00 66.00 65.40 2by2 h PRO 278 Cb 0.24 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 31.06 2by2 h PRO 278 CO -0.00 0.00 -0.06 0.71 -0.21 0.00 0.00 178.00 178.44 2by2 s TYR 279 N -3.75 3.64 -0.30 0.65 2.02 -0.65 -5.05 117.35 113.91 2by2 s TYR 279 Ca -0.02 -2.25 -0.17 0.00 -0.37 0.00 0.00 57.07 54.27 2by2 s TYR 279 Cb 0.09 -3.61 0.20 0.00 -0.40 0.00 0.00 41.96 38.24 2by2 s TYR 279 CO 0.32 -0.94 1.21 0.99 -1.57 0.00 0.00 175.55 175.57 2by2 s THR 281 N 0.07 -0.03 -0.26 -0.71 2.01 -1.26 -4.79 115.64 110.67 2by2 s THR 281 Ca 0.18 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 62.06 2by2 s THR 281 Cb -0.14 -1.00 0.09 0.00 0.01 0.00 0.00 72.50 71.47 2by2 s THR 281 CO -0.07 0.00 0.61 -0.62 -0.69 0.00 0.00 174.62 173.85 2by2 s ASP 282 N 1.32 -0.88 0.00 3.53 2.15 -1.26 -4.36 116.67 117.17 2by2 s ASP 282 Ca -0.07 1.39 0.18 0.00 0.43 0.00 0.00 52.55 54.49 2by2 s ASP 282 Cb -0.02 1.60 0.49 0.00 -0.30 0.00 0.00 42.92 44.69 2by2 s ASP 282 CO -0.12 -0.23 1.41 0.47 -0.17 0.00 0.00 175.17 176.53 2by2 n ASP 283 N 4.80 3.49 -4.64 -0.34 8.00 -1.26 -4.90 116.55 121.71 2by2 n ASP 283 Ca -0.17 -1.99 -0.35 0.00 0.71 0.00 0.00 54.79 52.99 2by2 n ASP 283 Cb 0.54 -0.37 0.09 0.00 -0.02 0.00 0.00 41.12 41.37 2by2 n ASP 283 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2by2 n SER 284 N 1.19 0.73 -0.09 -2.24 7.64 -1.26 -4.92 113.62 114.67 2by2 n SER 284 Ca 0.19 0.66 -0.07 0.00 1.01 0.00 0.00 58.87 60.66 2by2 n SER 284 Cb 0.54 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 2by2 n SER 284 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2by2 h GLU 285 N -0.34 0.16 -5.02 1.43 4.81 -2.00 -3.33 114.58 110.29 2by2 h GLU 285 Ca -0.47 -0.01 -0.65 0.00 -0.13 0.00 0.00 59.36 58.10 2by2 h GLU 285 Cb 1.33 -0.04 -0.16 0.00 0.63 0.00 0.00 28.75 30.51 2by2 h GLU 285 CO 0.47 0.10 -0.28 0.99 -0.73 0.00 0.00 179.01 179.56 2by2 s THR 286 N -6.17 5.18 0.51 0.32 2.01 -1.26 -5.05 115.64 111.17 2by2 s THR 286 Ca -0.13 0.24 -0.21 0.00 0.31 0.00 0.00 61.69 61.89 2by2 s THR 286 Cb 0.12 -3.76 -0.06 0.00 0.01 0.00 0.00 72.50 68.80 2by2 s THR 286 CO 0.70 0.01 1.18 -2.28 -0.69 0.00 0.00 174.62 173.55 2by2 s HIS 287 N 2.03 2.70 0.48 4.92 2.46 -1.25 -4.83 115.29 121.79 2by2 s HIS 287 Ca 0.13 1.52 0.20 0.00 0.47 0.00 0.00 55.06 57.37 2by2 s HIS 287 Cb -0.16 -3.41 1.20 0.00 -0.13 0.00 0.00 32.58 30.08 2by2 s HIS 287 CO 0.11 -1.75 1.97 0.97 -2.47 0.00 0.00 174.74 173.57 2by2 h ILE 288 N 1.53 0.79 -0.69 0.89 6.09 -1.91 0.30 117.51 124.51 2by2 h ILE 288 Ca -0.50 -0.08 -0.07 0.00 -1.37 0.00 0.00 64.86 62.84 2by2 h ILE 288 Cb 1.26 0.55 -0.03 0.00 0.47 0.00 0.00 36.82 39.07 2by2 h ILE 288 CO 0.58 0.04 0.16 -0.07 -3.07 0.00 0.00 178.15 175.79 2by2 h LEU 289 N 0.23 1.06 -0.57 2.19 3.38 -1.94 0.10 115.31 119.75 2by2 h LEU 289 Ca 0.29 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 2by2 h LEU 289 Cb 0.85 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 2by2 h LEU 289 CO -0.06 1.02 0.20 0.74 0.09 0.00 0.00 178.44 180.43 2by2 h THR 290 N 1.05 1.23 -0.29 0.22 2.02 -1.16 -2.21 112.91 113.77 2by2 h THR 290 Ca 0.22 -0.77 -0.12 0.00 0.77 0.00 0.00 66.41 66.50 2by2 h THR 290 Cb 0.38 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 2by2 h THR 290 CO 0.00 0.29 -0.32 -0.08 0.37 0.00 0.00 175.52 175.79 2by2 h GLU 291 N 0.80 0.62 -0.41 6.66 4.81 -0.81 -0.28 114.58 125.97 2by2 h GLU 291 Ca 0.19 -0.28 0.03 0.00 -0.13 0.00 0.00 59.36 59.16 2by2 h GLU 291 Cb 0.26 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 2by2 h GLU 291 CO -0.01 0.86 0.22 -0.07 -0.73 0.00 0.00 179.01 179.28 2by2 h LEU 292 N 0.53 0.34 -0.78 1.64 3.38 -0.66 0.12 115.31 119.88 2by2 h LEU 292 Ca 0.06 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2by2 h LEU 292 Cb 0.80 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 2by2 h LEU 292 CO 0.07 0.24 0.36 0.00 0.09 0.00 0.00 178.44 179.20 2by2 h ALA 293 N 1.20 1.01 -0.42 1.53 0.00 -1.01 0.02 119.26 121.58 2by2 h ALA 293 Ca 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2by2 h ALA 293 Cb 0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2by2 h ALA 293 CO -0.10 0.58 0.22 1.96 0.00 0.00 0.00 179.25 181.91 2by2 h GLN 294 N 1.11 0.60 -0.30 0.00 4.20 -0.52 0.23 115.11 120.43 2by2 h GLN 294 Ca 0.27 -0.08 -0.07 0.00 0.06 0.00 0.00 58.65 58.83 2by2 h GLN 294 Cb 0.13 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 2by2 h GLN 294 CO -0.03 0.50 -0.12 0.93 -0.67 0.00 0.00 178.83 179.43 2by2 h GLU 295 N 0.55 0.51 -0.07 1.46 4.39 -0.45 -0.51 114.58 120.46 2by2 h GLU 295 Ca 0.15 -0.15 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 2by2 h GLU 295 Cb 0.08 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2by2 h GLU 295 CO -0.02 0.63 -0.26 0.82 -1.16 0.00 0.00 179.01 179.02 2by2 h ILE 296 N 0.47 1.42 -0.08 3.13 2.04 -0.77 -3.13 117.51 120.59 2by2 h ILE 296 Ca 0.09 -1.64 0.02 0.00 1.00 0.00 0.00 64.86 64.33 2by2 h ILE 296 Cb 0.50 2.28 -0.00 0.00 -0.74 0.00 0.00 36.82 38.86 2by2 h ILE 296 CO 0.03 0.47 0.07 0.45 0.00 0.00 0.00 178.15 179.17 2by2 h HIS 297 N -0.19 0.00 0.00 1.37 3.86 -0.20 -2.32 115.15 117.68 2by2 h HIS 297 Ca -0.01 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 2by2 h HIS 297 Cb 0.89 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.35 2by2 h HIS 297 CO 0.12 0.00 -0.16 1.49 0.86 0.00 0.00 177.93 180.24 2by2 h GLU 298 N 0.00 0.00 0.00 2.45 4.22 -1.04 -2.20 114.58 118.01 2by2 h GLU 298 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.48 2by2 h GLU 298 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2by2 h GLU 298 CO -0.00 0.16 0.00 1.28 -2.18 0.00 0.00 179.01 178.27 2by2 n LEU 299 N -3.55 0.54 -1.69 1.64 4.77 -0.87 -4.87 117.00 112.97 2by2 n LEU 299 Ca -0.01 0.71 -0.12 0.00 -0.03 0.00 0.00 56.01 56.55 2by2 n LEU 299 Cb 0.31 -0.72 0.02 0.00 -2.33 0.00 0.00 43.42 40.69 2by2 n LEU 299 CO 0.31 -0.78 -0.03 0.61 -1.33 0.00 0.00 177.39 176.18 2by2 n GLY 300 N -0.87 -0.00 0.00 -0.72 0.00 -0.83 -5.02 105.19 97.75 2by2 n GLY 300 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2by2 n GLY 300 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2by2 n GLY 301 N -1.15 5.66 0.34 -0.02 0.00 -1.26 -5.06 105.19 103.69 2by2 n GLY 301 Ca -0.08 -1.91 0.08 0.00 0.00 0.00 0.00 46.02 44.12 2by2 n GLY 301 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2by2 n THR 302 N 0.00 1.90 -1.99 2.61 -2.24 -1.26 -5.03 114.28 108.26 2by2 n THR 302 Ca 0.00 -2.55 -0.38 0.00 -2.27 0.00 0.00 64.05 58.86 2by2 n THR 302 Cb 0.00 -0.18 0.02 0.00 -2.10 0.00 0.00 70.33 68.07 2by2 n THR 302 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2by2 s HIS 303 N -2.84 2.52 0.19 4.78 4.02 -1.26 -4.70 115.29 118.01 2by2 s HIS 303 Ca 0.33 1.45 0.07 0.00 1.02 0.00 0.00 55.06 57.93 2by2 s HIS 303 Cb 0.31 -3.60 -0.04 0.00 -1.02 0.00 0.00 32.58 28.23 2by2 s HIS 303 CO -0.02 -2.28 0.07 -0.51 1.02 0.00 0.00 174.74 173.03 2by2 s LEU 304 N -3.41 3.54 -0.08 0.89 1.43 -0.46 -4.95 118.68 115.64 2by2 s LEU 304 Ca 0.69 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 53.50 2by2 s LEU 304 Cb -0.35 -2.14 0.01 0.00 0.03 0.00 0.00 46.19 43.75 2by2 s LEU 304 CO 0.41 0.06 -0.12 -0.76 0.23 0.00 0.00 176.35 176.16 2by2 s LEU 305 N -3.19 1.60 -0.10 1.79 1.43 -1.26 -1.37 118.68 117.58 2by2 s LEU 305 Ca 0.30 -0.32 0.04 0.00 -1.03 0.00 0.00 54.13 53.11 2by2 s LEU 305 Cb -0.09 -0.88 -0.00 0.00 0.03 0.00 0.00 46.19 45.25 2by2 s LEU 305 CO 0.21 0.01 -0.23 -0.76 0.23 0.00 0.00 176.35 175.82 2by2 s LEU 306 N 0.84 2.16 -0.15 1.79 2.01 0.13 -0.13 118.68 125.33 2by2 s LEU 306 Ca -0.11 -0.53 -0.16 0.00 0.01 0.00 0.00 54.13 53.34 2by2 s LEU 306 Cb -0.15 -1.43 -0.04 0.00 0.01 0.00 0.00 46.19 44.58 2by2 s LEU 306 CO 0.02 0.17 0.38 0.00 1.01 0.00 0.00 176.35 177.93 2by2 s ALA 307 N 0.30 3.54 -0.73 4.21 0.00 -0.25 0.21 121.76 129.02 2by2 s ALA 307 Ca -0.17 -0.36 -0.24 0.00 0.00 0.00 0.00 51.96 51.20 2by2 s ALA 307 Cb -0.17 -2.54 0.06 0.00 0.00 0.00 0.00 23.12 20.47 2by2 s ALA 307 CO 0.08 -0.01 1.11 -2.00 0.00 0.00 0.00 175.76 174.95 2by2 s GLU 308 N 0.67 3.21 -0.03 0.00 2.12 0.01 -0.35 118.70 124.33 2by2 s GLU 308 Ca 0.21 -0.74 -0.00 0.00 0.36 0.00 0.00 54.97 54.79 2by2 s GLU 308 Cb -0.14 -4.35 0.03 0.00 0.26 0.00 0.00 34.13 29.92 2by2 s GLU 308 CO 0.07 -1.95 0.03 0.34 -0.54 0.00 0.00 175.26 173.21 2by2 s ASP 309 N 3.79 0.53 0.00 -1.70 -1.08 -1.24 -1.79 116.67 115.18 2by2 s ASP 309 Ca 0.29 0.02 0.27 0.00 -0.52 0.00 0.00 52.55 52.60 2by2 s ASP 309 Cb -0.12 -0.16 0.74 0.00 -1.46 0.00 0.00 42.92 41.92 2by2 s ASP 309 CO 0.09 -0.15 1.57 0.00 0.52 0.00 0.00 175.17 177.19 2by2 n HIS 310 N 4.49 0.00 1.23 -5.34 1.44 -1.26 -4.41 115.22 111.38 2by2 n HIS 310 Ca -0.20 -0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.65 2by2 n HIS 310 Cb 0.50 0.00 0.68 0.00 0.12 0.00 0.00 29.99 31.29 2by2 n HIS 310 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2by2 n ARG 311 N 0.60 0.25 -3.64 -1.40 1.74 -1.26 -4.91 116.66 108.04 2by2 n ARG 311 Ca 0.17 -0.01 -0.25 0.00 -0.77 0.00 0.00 57.85 56.99 2by2 n ARG 311 Cb 0.44 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.42 2by2 n ARG 311 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2by2 n ASN 312 N -1.37 -3.85 -4.08 0.55 3.02 -1.26 -3.46 115.26 104.80 2by2 n ASN 312 Ca 0.11 -0.90 -0.33 0.00 -0.03 0.00 0.00 54.58 53.42 2by2 n ASN 312 Cb 0.29 -3.87 -0.14 0.00 -0.61 0.00 0.00 39.78 35.44 2by2 n ASN 312 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2by2 s LEU 313 N -6.39 4.35 0.58 3.41 2.96 -1.26 -1.61 118.68 120.71 2by2 s LEU 313 Ca 0.29 -1.76 0.37 0.00 -0.22 0.00 0.00 54.13 52.82 2by2 s LEU 313 Cb -0.09 -1.67 1.78 0.00 0.50 0.00 0.00 46.19 46.72 2by2 s LEU 313 CO 0.83 -0.34 2.12 1.55 -1.32 0.00 0.00 176.35 179.19 2by2 h PRO 314 N 7.82 0.00 -0.08 0.98 0.13 -1.90 -2.89 132.00 136.05 2by2 h PRO 314 Ca -0.13 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.02 2by2 h PRO 314 Cb 1.04 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 2by2 h PRO 314 CO 0.54 0.00 0.12 -0.44 -0.23 0.00 0.00 178.00 177.99 2by2 h ASP 315 N 0.00 0.00 -0.71 1.44 5.19 -1.95 0.35 116.42 120.74 2by2 h ASP 315 Ca 0.00 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.49 2by2 h ASP 315 Cb 0.28 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.75 2by2 h ASP 315 CO 0.00 0.00 0.46 -0.07 -3.12 0.00 0.00 179.24 176.51 2by2 h LEU 316 N 0.00 0.58 0.01 1.55 3.38 -1.91 0.20 115.31 119.11 2by2 h LEU 316 Ca 0.04 0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.81 2by2 h LEU 316 Cb 0.28 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2by2 h LEU 316 CO -0.00 0.36 -1.13 0.58 0.09 0.00 0.00 178.44 178.35 2by2 h VAL 317 N 0.65 1.02 0.00 1.22 2.07 -1.16 -1.24 116.25 118.81 2by2 h VAL 317 Ca 0.32 -2.21 0.00 0.00 0.82 0.00 0.00 66.70 65.63 2by2 h VAL 317 Cb 0.38 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 2by2 h VAL 317 CO -0.11 0.37 -0.47 0.35 0.02 0.00 0.00 177.57 177.74 2by2 n THR 318 N -4.42 0.39 0.00 2.57 -2.24 -0.66 -2.32 114.28 107.61 2by2 n THR 318 Ca -0.29 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 2by2 n THR 318 Cb 0.67 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 2by2 n THR 318 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2by2 n VAL 319 N -2.12 0.00 0.67 2.28 0.31 0.47 -4.70 118.33 115.24 2by2 n VAL 319 Ca 0.04 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.50 2by2 n VAL 319 Cb 0.43 -1.28 0.44 0.00 -0.91 0.00 0.00 33.84 32.53 2by2 n VAL 319 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2by2 n ASN 320 N -2.89 0.67 -1.53 4.52 5.03 0.07 -4.92 115.26 116.21 2by2 n ASN 320 Ca 0.00 0.57 -0.14 0.00 0.87 0.00 0.00 54.58 55.88 2by2 n ASN 320 Cb 0.50 -0.75 -0.01 0.00 -1.02 0.00 0.00 39.78 38.50 2by2 n ASN 320 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2by2 n HIS 321 N -2.14 -0.62 -1.41 3.10 8.25 -0.98 -4.23 115.22 117.20 2by2 n HIS 321 Ca 0.06 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.22 2by2 n HIS 321 Cb 0.40 -2.92 0.11 0.00 1.12 0.00 0.00 29.99 28.70 2by2 n HIS 321 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2by2 s LEU 322 N -3.88 2.48 0.02 2.41 1.43 -0.48 -4.93 118.68 115.73 2by2 s LEU 322 Ca 0.00 1.39 0.18 0.00 -1.03 0.00 0.00 54.13 54.67 2by2 s LEU 322 Cb 0.00 -3.93 -0.17 0.00 0.03 0.00 0.00 46.19 42.12 2by2 s LEU 322 CO 0.00 -2.24 0.69 0.47 0.23 0.00 0.00 176.35 175.50 2by2 n ASP 323 N -3.61 0.63 -3.69 2.29 8.00 0.82 -4.35 116.55 116.64 2by2 n ASP 323 Ca 0.07 0.27 0.02 0.00 0.71 0.00 0.00 54.79 55.87 2by2 n ASP 323 Cb 0.56 0.53 0.00 0.00 -0.02 0.00 0.00 41.12 42.19 2by2 n ASP 323 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2by2 s GLY 324 N -4.82 -0.29 -0.03 0.44 0.00 -1.20 -4.52 107.32 96.88 2by2 s GLY 324 Ca -0.04 0.42 0.01 0.00 0.00 0.00 0.00 44.72 45.10 2by2 s GLY 324 CO 0.82 2.43 -0.02 -0.42 0.00 0.00 0.00 173.10 175.91 2by2 s ILE 325 N -2.23 0.35 -0.25 0.90 1.01 0.40 -1.09 121.20 120.30 2by2 s ILE 325 Ca 0.21 -0.03 -0.29 0.00 0.00 0.00 0.00 60.65 60.54 2by2 s ILE 325 Cb 0.03 -0.41 -0.02 0.00 0.01 0.00 0.00 42.46 42.07 2by2 s ILE 325 CO -0.03 0.18 1.55 0.26 0.00 0.00 0.00 174.94 176.90 2by2 s TRP 326 N 0.89 2.23 -0.15 3.97 0.52 0.53 -0.84 118.94 126.09 2by2 s TRP 326 Ca -0.10 0.62 0.02 0.00 0.02 0.00 0.00 56.10 56.65 2by2 s TRP 326 Cb -0.13 -3.98 0.01 0.00 -1.15 0.00 0.00 33.47 28.21 2by2 s TRP 326 CO -0.01 -2.64 -0.20 -0.08 0.02 0.00 0.00 176.95 174.04 2by2 s THR 327 N 5.07 2.22 -0.84 2.01 -1.32 -0.88 -3.65 115.64 118.24 2by2 s THR 327 Ca 0.68 -0.92 0.25 0.00 -1.21 0.00 0.00 61.69 60.49 2by2 s THR 327 Cb -0.23 -1.91 0.07 0.00 -1.51 0.00 0.00 72.50 68.92 2by2 s THR 327 CO 0.28 0.54 1.46 0.47 -2.21 0.00 0.00 174.62 175.16 2by2 n ASP 328 N 4.14 0.53 -0.34 8.08 8.00 -1.26 -4.29 116.55 131.40 2by2 n ASP 328 Ca -0.20 0.04 0.05 0.00 0.71 0.00 0.00 54.79 55.39 2by2 n ASP 328 Cb 0.51 0.07 0.23 0.00 -0.02 0.00 0.00 41.12 41.91 2by2 n ASP 328 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2by2 h ASP 329 N 0.00 0.94 0.03 -2.24 3.32 -1.94 0.51 116.42 117.03 2by2 h ASP 329 Ca 0.00 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 2by2 h ASP 329 Cb 0.61 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.99 2by2 h ASP 329 CO 0.00 0.56 -0.01 0.15 -1.72 0.00 0.00 179.24 178.22 2by2 h PHE 330 N 1.05 -0.03 -0.33 4.55 3.57 -1.84 0.55 116.94 124.46 2by2 h PHE 330 Ca 0.45 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 62.02 2by2 h PHE 330 Cb 0.32 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.00 2by2 h PHE 330 CO -0.00 0.02 -0.14 1.25 -2.23 0.00 0.00 178.31 177.21 2by2 h HIS 331 N -0.08 -0.33 -0.45 0.41 2.76 -1.37 -0.91 115.15 115.18 2by2 h HIS 331 Ca -0.00 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.11 2by2 h HIS 331 Cb 0.07 0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 2by2 h HIS 331 CO -0.06 -0.21 -0.07 0.45 -1.30 0.00 0.00 177.93 176.74 2by2 h HIS 332 N -0.08 0.94 -0.75 5.26 3.86 -0.69 0.38 115.15 124.08 2by2 h HIS 332 Ca 0.17 -0.19 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 2by2 h HIS 332 Cb 0.33 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.54 2by2 h HIS 332 CO -0.35 0.92 0.35 1.49 0.86 0.00 0.00 177.93 181.20 2by2 h GLU 333 N 0.68 1.07 -0.17 2.45 4.57 -0.69 -0.90 114.58 121.59 2by2 h GLU 333 Ca 0.12 -0.15 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 2by2 h GLU 333 Cb 0.59 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 2by2 h GLU 333 CO 0.04 0.83 0.03 1.15 -1.18 0.00 0.00 179.01 179.88 2by2 h THR 334 N 1.06 1.22 -0.30 0.32 2.02 -0.82 -1.26 112.91 115.15 2by2 h THR 334 Ca 0.26 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.73 2by2 h THR 334 Cb 0.11 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 2by2 h THR 334 CO -0.03 0.21 0.16 -0.09 0.37 0.00 0.00 175.52 176.14 2by2 h ARG 335 N 0.08 0.42 -0.66 6.66 2.43 -0.64 -2.09 114.38 120.57 2by2 h ARG 335 Ca 0.05 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 2by2 h ARG 335 Cb 0.30 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 2by2 h ARG 335 CO 0.00 0.36 0.29 0.28 -1.51 0.00 0.00 179.97 179.39 2by2 h VAL 336 N 0.36 1.22 -0.76 0.20 2.07 -1.15 0.67 116.25 118.87 2by2 h VAL 336 Ca 0.10 -0.67 0.11 0.00 0.82 0.00 0.00 66.70 67.06 2by2 h VAL 336 Cb 0.06 0.41 -0.08 0.00 -1.52 0.00 0.00 31.29 30.16 2by2 h VAL 336 CO -0.02 0.27 0.38 0.74 0.02 0.00 0.00 177.57 178.97 2by2 h THR 337 N 0.95 0.82 0.00 2.57 2.02 -0.71 0.12 112.91 118.67 2by2 h THR 337 Ca 0.23 -0.21 -0.10 0.00 0.77 0.00 0.00 66.41 67.09 2by2 h THR 337 Cb 0.15 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 2by2 h THR 337 CO -0.02 0.11 -0.99 -0.07 0.37 0.00 0.00 175.52 174.92 2by2 h LEU 338 N 0.62 0.00 0.00 2.58 3.38 -0.58 -3.40 115.31 117.91 2by2 h LEU 338 Ca 0.38 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.34 2by2 h LEU 338 Cb 0.44 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 2by2 h LEU 338 CO -0.29 0.40 -1.15 0.35 0.09 0.00 0.00 178.44 177.84 2by2 n THR 339 N -2.95 0.06 -0.96 0.22 -2.24 0.11 -4.42 114.28 104.10 2by2 n THR 339 Ca -0.04 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2by2 n THR 339 Cb 0.73 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 2by2 n THR 339 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2by2 n GLY 340 N 2.50 0.72 3.73 3.38 0.00 0.39 -5.00 105.19 110.92 2by2 n GLY 340 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 2by2 n GLY 340 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2by2 s GLU 341 N -0.17 2.35 -0.00 1.61 -1.05 -1.26 -4.96 118.70 115.22 2by2 s GLU 341 Ca 0.00 1.72 0.00 0.00 -0.15 0.00 0.00 54.97 56.54 2by2 s GLU 341 Cb 0.00 -1.86 0.00 0.00 -0.44 0.00 0.00 34.13 31.83 2by2 s GLU 341 CO 0.00 -1.66 0.56 1.04 0.95 0.00 0.00 175.26 176.15 2by2 n GLN 342 N -2.51 0.07 -2.64 -4.83 1.13 -1.26 -4.69 117.38 102.64 2by2 n GLN 342 Ca 0.13 -0.57 -0.34 0.00 -1.94 0.00 0.00 57.00 54.28 2by2 n GLN 342 Cb 0.50 -0.51 -0.05 0.00 0.11 0.00 0.00 30.24 30.29 2by2 n GLN 342 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2by2 s GLU 343 N -0.03 3.97 5.73 -1.09 0.41 -1.26 -2.93 118.70 123.49 2by2 s GLU 343 Ca 0.00 1.28 0.00 0.00 -0.41 0.00 0.00 54.97 55.84 2by2 s GLU 343 Cb 0.00 -2.14 0.00 0.00 -1.78 0.00 0.00 34.13 30.21 2by2 s GLU 343 CO 0.00 -0.28 0.00 0.41 -0.49 0.00 0.00 175.26 174.90 2by2 n GLY 344 N -0.36 3.05 0.15 -1.39 0.00 -1.26 -1.65 105.19 103.73 2by2 n GLY 344 Ca 0.08 -0.22 0.13 0.00 0.00 0.00 0.00 46.02 46.01 2by2 n GLY 344 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2by2 h TYR 345 N 0.00 0.00 0.00 1.61 -0.00 -1.99 -2.35 116.97 114.25 2by2 h TYR 345 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.72 2by2 h TYR 345 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.73 2by2 h TYR 345 CO 0.00 0.00 -0.04 1.88 -0.00 0.00 0.00 178.16 180.00 2by2 h TYR 346 N 0.00 0.00 0.00 0.10 0.05 -1.57 -0.61 116.97 114.94 2by2 h TYR 346 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2by2 h TYR 346 Cb 0.40 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.14 2by2 h TYR 346 CO 0.00 0.04 0.00 0.00 -1.05 0.00 0.00 178.16 177.15 2by2 n ALA 347 N -2.22 1.14 1.73 3.88 0.00 -0.88 -2.12 120.51 122.05 2by2 n ALA 347 Ca -0.02 0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.63 2by2 n ALA 347 Cb 0.15 -1.17 0.83 0.00 0.00 0.00 0.00 19.45 19.26 2by2 n ALA 347 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2by2 n GLY 348 N -1.15 -0.90 2.91 0.00 0.00 -0.24 -4.85 105.19 100.97 2by2 n GLY 348 Ca 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 2by2 n GLY 348 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2by2 s TYR 349 N -2.03 0.16 -0.03 1.61 2.02 -0.90 -5.03 117.35 113.15 2by2 s TYR 349 Ca 0.41 -0.11 -0.07 0.00 -0.37 0.00 0.00 57.07 56.93 2by2 s TYR 349 Cb 0.19 -0.10 -0.30 0.00 -0.40 0.00 0.00 41.96 41.36 2by2 s TYR 349 CO 0.33 -0.03 0.75 -0.09 -1.57 0.00 0.00 175.55 174.94 2by2 h ARG 350 N 5.85 0.33 -1.17 -0.62 2.43 -1.89 -3.50 114.38 115.81 2by2 h ARG 350 Ca -0.26 -0.57 0.13 0.00 -0.81 0.00 0.00 59.98 58.47 2by2 h ARG 350 Cb 1.21 0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 30.92 2by2 h ARG 350 CO 0.49 1.23 -0.27 0.41 -1.51 0.00 0.00 179.97 180.31 2by2 n GLY 351 N 1.77 -1.96 0.00 2.80 0.00 -1.26 -4.67 105.19 101.88 2by2 n GLY 351 Ca -0.21 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.44 2by2 n GLY 351 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2by2 n GLY 352 N -2.80 2.23 0.09 -0.02 0.00 -1.26 -4.45 105.19 98.97 2by2 n GLY 352 Ca -0.01 -2.02 -0.11 0.00 0.00 0.00 0.00 46.02 43.88 2by2 n GLY 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2by2 h ALA 353 N 0.00 -0.01 -0.32 4.61 0.00 -1.83 0.52 119.26 122.23 2by2 h ALA 353 Ca 0.00 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2by2 h ALA 353 Cb 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2by2 h ALA 353 CO 0.00 -0.53 0.11 1.49 0.00 0.00 0.00 179.25 180.32 2by2 h GLU 354 N -0.06 0.24 -0.56 0.00 4.81 -1.89 -0.14 114.58 116.99 2by2 h GLU 354 Ca 0.03 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2by2 h GLU 354 Cb 0.10 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 2by2 h GLU 354 CO -0.07 0.16 0.31 0.00 -0.73 0.00 0.00 179.01 178.68 2by2 h ALA 355 N 1.21 0.72 -0.39 2.92 0.00 -1.69 -1.32 119.26 120.70 2by2 h ALA 355 Ca 0.14 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2by2 h ALA 355 Cb 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2by2 h ALA 355 CO -0.15 0.23 0.17 -0.07 0.00 0.00 0.00 179.25 179.43 2by2 h LEU 356 N 0.75 0.53 -0.86 0.00 3.38 -0.69 -1.21 115.31 117.21 2by2 h LEU 356 Ca 0.20 -0.15 0.11 0.00 0.09 0.00 0.00 57.88 58.13 2by2 h LEU 356 Cb 0.04 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.58 2by2 h LEU 356 CO -0.03 0.53 0.49 0.00 0.09 0.00 0.00 178.44 179.52 2by2 h ALA 357 N 1.02 1.26 -0.02 1.53 0.00 -0.50 -0.12 119.26 122.43 2by2 h ALA 357 Ca 0.13 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2by2 h ALA 357 Cb 0.16 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2by2 h ALA 357 CO -0.01 0.08 -0.00 -0.92 0.00 0.00 0.00 179.25 178.39 2by2 h TYR 358 N 0.79 0.04 -0.85 0.00 3.20 -1.02 -1.07 116.97 118.07 2by2 h TYR 358 Ca 0.43 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.29 2by2 h TYR 358 Cb 0.46 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 2by2 h TYR 358 CO -0.06 0.35 0.52 1.15 -1.64 0.00 0.00 178.16 178.48 2by2 h THR 359 N -0.28 1.23 -0.16 1.81 2.02 -0.88 -0.16 112.91 116.49 2by2 h THR 359 Ca 0.01 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 2by2 h THR 359 Cb 0.33 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 2by2 h THR 359 CO 0.00 0.24 0.08 0.40 0.37 0.00 0.00 175.52 176.61 2by2 h ILE 360 N 1.16 1.12 0.00 3.11 2.04 -1.01 0.73 117.51 124.66 2by2 h ILE 360 Ca 0.30 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 2by2 h ILE 360 Cb -0.06 1.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2by2 h ILE 360 CO -0.06 0.11 -0.05 0.08 0.00 0.00 0.00 178.15 178.23 2by2 h ARG 361 N 0.14 0.00 -0.02 2.37 0.11 -0.59 -1.83 114.38 114.56 2by2 h ARG 361 Ca 0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.14 2by2 h ARG 361 Cb 0.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.19 2by2 h ARG 361 CO -0.01 0.05 -0.33 0.54 0.10 0.00 0.00 179.97 180.33 2by2 n ARG 362 N -3.30 1.55 0.00 0.08 5.12 -0.13 -4.99 116.66 114.99 2by2 n ARG 362 Ca -0.01 -1.24 0.00 0.00 -1.93 0.00 0.00 57.85 54.67 2by2 n ARG 362 Cb 0.22 -1.45 0.00 0.00 -1.16 0.00 0.00 32.46 30.08 2by2 n ARG 362 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2by2 n GLY 363 N 1.36 1.55 3.33 -0.13 0.00 0.23 -4.66 105.19 106.88 2by2 n GLY 363 Ca 0.10 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 2by2 n GLY 363 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2by2 s TRP 364 N 0.00 1.62 -0.10 1.61 -2.14 -1.24 -4.71 118.94 113.98 2by2 s TRP 364 Ca 0.00 -0.66 -0.26 0.00 2.66 0.00 0.00 56.10 57.84 2by2 s TRP 364 Cb 0.00 -0.80 -0.27 0.00 -3.10 0.00 0.00 33.47 29.30 2by2 s TRP 364 CO 0.00 0.26 0.85 -0.09 -2.66 0.00 0.00 176.95 175.30 2by2 h ARG 365 N 2.58 0.11 -5.70 3.25 2.43 -1.86 -3.44 114.38 111.73 2by2 h ARG 365 Ca -0.38 -0.17 -0.63 0.00 -0.81 0.00 0.00 59.98 57.99 2by2 h ARG 365 Cb 1.21 0.06 -0.13 0.00 -0.42 0.00 0.00 29.97 30.69 2by2 h ARG 365 CO 0.63 1.05 0.31 0.71 -1.51 0.00 0.00 179.97 181.16 2by2 s TYR 366 N -2.43 3.02 -0.16 2.20 2.02 -1.26 -4.86 117.35 115.88 2by2 s TYR 366 Ca -0.17 0.14 0.17 0.00 -0.37 0.00 0.00 57.07 56.84 2by2 s TYR 366 Cb -0.01 -3.58 0.34 0.00 -0.40 0.00 0.00 41.96 38.31 2by2 s TYR 366 CO 0.74 -0.94 1.19 0.39 -1.57 0.00 0.00 175.55 175.35 2by2 n GLU 367 N 6.60 1.46 0.00 -0.62 1.02 -1.22 -3.75 120.64 124.13 2by2 n GLU 367 Ca 0.01 -2.78 0.00 0.00 -0.02 0.00 0.00 57.16 54.38 2by2 n GLU 367 Cb 0.48 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 2by2 n GLU 367 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2by2 n GLY 368 N -1.30 1.19 3.78 0.62 0.00 0.65 -3.43 105.19 106.70 2by2 n GLY 368 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 2by2 n GLY 368 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2by2 s GLN 369 N 0.00 2.03 0.16 1.61 0.00 -1.24 -4.04 119.66 118.19 2by2 s GLN 369 Ca 0.00 0.77 -0.31 0.00 -0.00 0.00 0.00 55.36 55.82 2by2 s GLN 369 Cb 0.00 -1.90 -0.09 0.00 0.00 0.00 0.00 33.01 31.02 2by2 s GLN 369 CO 0.00 -1.69 1.46 0.12 0.00 0.00 0.00 175.29 175.18 2by2 s PHE 370 N -3.07 3.15 -0.39 9.60 5.36 -1.26 -1.77 117.98 129.59 2by2 s PHE 370 Ca 0.61 0.85 -0.17 0.00 -0.96 0.00 0.00 56.93 57.26 2by2 s PHE 370 Cb -0.15 -3.79 0.01 0.00 -0.34 0.00 0.00 43.02 38.75 2by2 s PHE 370 CO 0.55 -2.80 0.44 -0.46 -1.46 0.00 0.00 175.22 171.50 2by2 s TRP 371 N 0.93 3.17 -2.34 10.12 -0.11 0.51 -4.87 118.94 126.35 2by2 s TRP 371 Ca 0.66 -0.19 0.22 0.00 1.22 0.00 0.00 56.10 58.00 2by2 s TRP 371 Cb -0.40 -2.88 0.52 0.00 -1.50 0.00 0.00 33.47 29.21 2by2 s TRP 371 CO 0.33 -0.63 1.44 0.00 -4.62 0.00 0.00 176.95 173.47 2by2 n ALA 372 N 5.62 2.44 -1.70 5.86 0.00 -1.26 -2.62 120.51 128.85 2by2 n ALA 372 Ca -0.07 -0.90 -0.42 0.00 0.00 0.00 0.00 53.44 52.06 2by2 n ALA 372 Cb 0.48 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.96 2by2 n ALA 372 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2by2 s VAL 373 N -1.51 2.83 0.19 0.00 1.01 -1.26 -4.87 120.40 116.80 2by2 s VAL 373 Ca 0.37 0.05 -0.33 0.00 0.00 0.00 0.00 61.98 62.08 2by2 s VAL 373 Cb 0.21 -3.04 -0.13 0.00 0.00 0.00 0.00 36.38 33.43 2by2 s VAL 373 CO 0.30 -0.00 1.66 0.29 0.00 0.00 0.00 175.10 177.34 2by2 n LYS 374 N 6.74 2.51 0.00 2.72 5.02 -1.26 -1.12 118.16 132.78 2by2 n LYS 374 Ca 0.19 0.90 0.00 0.00 -2.02 0.00 0.00 58.31 57.38 2by2 n LYS 374 Cb 0.40 -2.72 0.00 0.00 -0.02 0.00 0.00 35.03 32.69 2by2 n LYS 374 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2by2 n GLY 375 N 3.68 1.48 0.12 0.72 0.00 -1.26 -4.85 105.19 105.09 2by2 n GLY 375 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.20 2by2 n GLY 375 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2by2 n GLU 376 N -2.00 1.09 -1.83 1.61 1.02 -0.27 -5.09 120.64 115.17 2by2 n GLU 376 Ca 0.00 -1.31 -0.42 0.00 -0.02 0.00 0.00 57.16 55.41 2by2 n GLU 376 Cb 0.00 -0.84 -0.03 0.00 -0.02 0.00 0.00 31.44 30.55 2by2 n GLU 376 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2by2 s GLU 377 N -0.87 4.17 0.03 3.49 8.01 -1.16 -4.80 118.70 127.57 2by2 s GLU 377 Ca 0.07 2.47 -0.29 0.00 0.01 0.00 0.00 54.97 57.22 2by2 s GLU 377 Cb 0.06 -3.50 0.10 0.00 -4.31 0.00 0.00 34.13 26.48 2by2 s GLU 377 CO 0.01 -0.77 1.16 -3.38 0.01 0.00 0.00 175.26 172.29 2by2 s HIS 378 N 2.38 -0.09 -0.47 1.61 -3.43 -1.08 -5.01 115.29 109.21 2by2 s HIS 378 Ca 0.76 -0.08 -0.28 0.00 -0.80 0.00 0.00 55.06 54.66 2by2 s HIS 378 Cb -0.44 0.57 0.03 0.00 -1.43 0.00 0.00 32.58 31.32 2by2 s HIS 378 CO 0.34 -0.46 1.10 -1.21 -2.00 0.00 0.00 174.74 172.51 2by2 s GLU 379 N -2.73 3.71 -0.22 -0.38 2.02 -1.26 -0.36 118.70 119.48 2by2 s GLU 379 Ca 0.13 0.53 -0.09 0.00 0.02 0.00 0.00 54.97 55.56 2by2 s GLU 379 Cb 0.02 -3.90 -0.04 0.00 0.10 0.00 0.00 34.13 30.31 2by2 s GLU 379 CO -0.02 -1.33 0.11 0.50 0.02 0.00 0.00 175.26 174.54 2by2 s ARG 380 N 4.30 4.00 0.00 1.61 3.52 -0.73 -4.88 118.95 126.76 2by2 s ARG 380 Ca 0.46 -0.32 0.00 0.00 -0.13 0.00 0.00 55.73 55.74 2by2 s ARG 380 Cb -0.08 -3.38 0.00 0.00 -1.56 0.00 0.00 34.95 29.93 2by2 s ARG 380 CO 0.30 0.13 0.00 0.41 -0.81 0.00 0.00 175.30 175.33 2by2 n GLY 381 N 4.01 0.28 3.19 8.12 0.00 -1.22 -0.25 105.19 119.32 2by2 n GLY 381 Ca -0.16 -2.06 -0.09 0.00 0.00 0.00 0.00 46.02 43.71 2by2 n GLY 381 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2by2 s HIS 382 N -1.03 0.15 0.20 1.61 3.76 -0.63 -2.42 115.29 116.93 2by2 s HIS 382 Ca 0.00 -0.54 -0.33 0.00 -0.15 0.00 0.00 55.06 54.05 2by2 s HIS 382 Cb 0.00 -0.07 -0.14 0.00 1.11 0.00 0.00 32.58 33.48 2by2 s HIS 382 CO 0.00 -0.51 1.48 -2.30 -0.85 0.00 0.00 174.74 172.56 2by2 n PRO 383 N 0.12 2.06 -0.07 8.40 -0.02 -1.22 -4.41 135.00 139.86 2by2 n PRO 383 Ca -0.16 0.74 0.11 0.00 -2.02 0.00 0.00 63.50 62.17 2by2 n PRO 383 Cb 0.62 -2.45 0.41 0.00 -0.02 0.00 0.00 33.50 32.06 2by2 n PRO 383 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2by2 n SER 384 N 2.73 1.53 -0.35 2.55 3.41 -1.26 -4.58 113.62 117.65 2by2 n SER 384 Ca 0.14 -1.66 0.09 0.00 -0.26 0.00 0.00 58.87 57.18 2by2 n SER 384 Cb 0.30 -0.09 0.28 0.00 -0.26 0.00 0.00 64.21 64.44 2by2 n SER 384 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2by2 h ASP 385 N 2.08 0.85 0.48 4.04 5.19 -1.90 -1.29 116.42 125.88 2by2 h ASP 385 Ca 0.00 0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.45 2by2 h ASP 385 Cb 0.45 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.85 2by2 h ASP 385 CO 0.00 0.41 -0.11 0.00 -3.12 0.00 0.00 179.24 176.42 2by2 h ALA 386 N 1.58 1.19 -2.61 3.45 0.00 -2.00 -3.44 119.26 117.42 2by2 h ALA 386 Ca 0.51 -0.10 -0.53 0.00 0.00 0.00 0.00 54.91 54.79 2by2 h ALA 386 Cb 0.64 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2by2 h ALA 386 CO -0.29 0.14 0.08 -0.51 0.00 0.00 0.00 179.25 178.67 2by2 s LEU 387 N -6.97 4.44 0.35 0.00 1.43 -0.49 -5.07 118.68 112.37 2by2 s LEU 387 Ca -0.02 1.41 0.07 0.00 -1.03 0.00 0.00 54.13 54.56 2by2 s LEU 387 Cb 0.12 -3.36 -0.01 0.00 0.03 0.00 0.00 46.19 42.97 2by2 s LEU 387 CO 0.57 0.13 0.41 -0.70 0.23 0.00 0.00 176.35 176.99 2by2 s GLU 388 N -1.61 2.90 0.22 1.70 2.56 -1.26 -4.98 118.70 118.23 2by2 s GLU 388 Ca 0.38 -1.18 -0.09 0.00 0.00 0.00 0.00 54.97 54.09 2by2 s GLU 388 Cb -0.19 -2.66 0.35 0.00 2.00 0.00 0.00 34.13 33.64 2by2 s GLU 388 CO 0.22 0.01 1.67 0.00 -0.56 0.00 0.00 175.26 176.60 2by2 h ALA 389 N 0.99 0.73 0.00 6.30 0.00 -1.88 -0.19 119.26 125.21 2by2 h ALA 389 Ca -0.44 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2by2 h ALA 389 Cb 1.26 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 2by2 h ALA 389 CO 0.54 -0.37 -0.07 -1.35 0.00 0.00 0.00 179.25 178.00 2by2 h PRO 390 N 0.18 0.00 0.00 0.00 0.11 -1.78 -2.48 132.00 128.03 2by2 h PRO 390 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 2by2 h PRO 390 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 2by2 h PRO 390 CO -0.51 0.07 0.00 -0.91 -0.21 0.00 0.00 178.00 176.44 2by2 h ASN 391 N 0.00 0.00 -3.58 -2.05 2.35 -1.26 -3.39 115.58 107.66 2by2 h ASN 391 Ca -0.00 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 55.13 2by2 h ASN 391 Cb 0.20 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 38.44 2by2 h ASN 391 CO 0.01 0.00 -0.40 -0.36 -1.65 0.00 0.00 177.43 175.03 2by2 s PHE 392 N -3.79 3.32 -0.27 1.19 0.08 -0.93 -0.45 117.98 117.13 2by2 s PHE 392 Ca -0.01 0.35 -0.11 0.00 0.12 0.00 0.00 56.93 57.28 2by2 s PHE 392 Cb 0.10 -2.37 -0.05 0.00 -0.57 0.00 0.00 43.02 40.13 2by2 s PHE 392 CO 0.46 0.02 0.20 0.08 -0.10 0.00 0.00 175.22 175.87 2by2 s VAL 393 N 1.23 5.31 0.15 -0.44 1.01 -0.02 -1.27 120.40 126.38 2by2 s VAL 393 Ca 0.11 0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.37 2by2 s VAL 393 Cb -0.14 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 2by2 s VAL 393 CO 0.06 0.27 -0.03 -0.31 0.00 0.00 0.00 175.10 175.10 2by2 s TYR 394 N 1.57 2.82 0.21 5.22 1.51 -0.09 -2.08 117.35 126.51 2by2 s TYR 394 Ca 0.08 -0.14 -0.22 0.00 -1.01 0.00 0.00 57.07 55.79 2by2 s TYR 394 Cb -0.15 -1.39 0.05 0.00 -0.11 0.00 0.00 41.96 40.35 2by2 s TYR 394 CO 0.09 0.50 0.64 0.00 -1.11 0.00 0.00 175.55 175.67 2by2 n ILE 396 N -0.41 0.00 -3.73 0.00 -5.35 -1.26 -3.69 119.36 104.92 2by2 n ILE 396 Ca -0.11 -0.41 -0.13 0.00 -0.27 0.00 0.00 62.75 61.83 2by2 n ILE 396 Cb 0.62 1.13 -0.10 0.00 -1.74 0.00 0.00 39.64 39.56 2by2 n ILE 396 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2by2 s GLN 397 N -1.32 0.51 0.29 6.28 -1.52 -1.26 -4.88 119.66 117.75 2by2 s GLN 397 Ca 0.09 0.48 -0.08 0.00 -1.95 0.00 0.00 55.36 53.91 2by2 s GLN 397 Cb 0.08 0.25 0.03 0.00 -0.22 0.00 0.00 33.01 33.15 2by2 s GLN 397 CO 0.24 -0.08 0.52 0.27 -0.25 0.00 0.00 175.29 176.00 2by2 n ASN 398 N 2.65 -1.49 -0.31 5.90 0.23 -1.26 -3.93 115.26 117.05 2by2 n ASN 398 Ca -0.14 -2.32 -0.00 0.00 -0.53 0.00 0.00 54.58 51.59 2by2 n ASN 398 Cb 0.57 2.57 0.18 0.00 -2.08 0.00 0.00 39.78 41.01 2by2 n ASN 398 CO 0.00 0.00 0.00 1.12 -0.93 0.00 0.00 177.26 177.45 2by2 h HIS 399 N 1.77 1.12 -0.03 -2.53 2.07 -1.98 -2.13 115.15 113.43 2by2 h HIS 399 Ca -0.24 0.03 -0.23 0.00 -2.85 0.00 0.00 60.37 57.07 2by2 h HIS 399 Cb 0.94 -0.38 0.02 0.00 2.57 0.00 0.00 27.41 30.56 2by2 h HIS 399 CO 0.00 0.69 -0.89 -0.44 -3.07 0.00 0.00 177.93 174.22 2by2 h ASP 400 N 1.20 0.84 0.76 3.10 3.32 -1.97 0.19 116.42 123.87 2by2 h ASP 400 Ca 0.33 -0.72 0.00 0.00 0.02 0.00 0.00 57.03 56.67 2by2 h ASP 400 Cb -0.11 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.18 2by2 h ASP 400 CO -0.08 1.44 0.00 0.00 -1.72 0.00 0.00 179.24 178.89 2by2 n GLN 401 N -3.95 0.19 -0.11 3.56 1.13 -0.98 -1.02 117.38 116.20 2by2 n GLN 401 Ca -0.10 0.02 -0.18 0.00 -1.94 0.00 0.00 57.00 54.80 2by2 n GLN 401 Cb 0.81 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 29.60 2by2 n GLN 401 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 2by2 n ILE 402 N -1.40 1.51 0.36 5.09 5.41 -0.84 -4.73 119.36 124.76 2by2 n ILE 402 Ca 0.10 -0.07 0.14 0.00 1.00 0.00 0.00 62.75 63.92 2by2 n ILE 402 Cb 0.28 -2.15 0.52 0.00 -0.71 0.00 0.00 39.64 37.58 2by2 n ILE 402 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2by2 h GLY 403 N -1.00 0.00 2.00 7.39 0.00 -0.53 -2.66 103.07 108.27 2by2 h GLY 403 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2by2 h GLY 403 CO -0.18 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.52 2by2 n ASN 404 N -2.64 0.04 -4.80 0.19 0.23 -0.19 -4.02 115.26 104.06 2by2 n ASN 404 Ca 0.02 0.50 -0.36 0.00 -0.53 0.00 0.00 54.58 54.22 2by2 n ASN 404 Cb 0.31 -0.51 -0.06 0.00 -2.08 0.00 0.00 39.78 37.43 2by2 n ASN 404 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 2by2 s ARG 405 N -3.01 4.41 0.26 -3.83 0.52 -1.00 -4.95 118.95 111.35 2by2 s ARG 405 Ca 0.13 1.15 -0.02 0.00 -0.52 0.00 0.00 55.73 56.47 2by2 s ARG 405 Cb 0.18 -2.68 0.55 0.00 0.52 0.00 0.00 34.95 33.52 2by2 s ARG 405 CO 0.51 0.24 1.67 -1.35 0.02 0.00 0.00 175.30 176.40 2by2 h PRO 406 N 2.93 0.25 -0.35 3.54 0.11 -1.88 -0.76 132.00 135.84 2by2 h PRO 406 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2by2 h PRO 406 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2by2 h PRO 406 CO 0.64 0.17 0.00 1.28 -0.21 0.00 0.00 178.00 179.88 2by2 n LEU 407 N -5.18 3.13 -2.78 2.35 4.77 -1.26 -4.37 117.00 113.67 2by2 n LEU 407 Ca 0.17 -1.59 -0.22 0.00 -0.03 0.00 0.00 56.01 54.35 2by2 n LEU 407 Cb 0.54 -0.23 0.02 0.00 -2.33 0.00 0.00 43.42 41.42 2by2 n LEU 407 CO 0.10 0.70 -0.11 0.61 -1.33 0.00 0.00 177.39 177.37 2by2 n GLY 408 N 1.13 -0.51 3.84 -0.72 0.00 -0.29 -4.77 105.19 103.87 2by2 n GLY 408 Ca 0.16 0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 2by2 n GLY 408 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2by2 s GLU 409 N -5.44 4.08 0.72 1.61 1.03 -1.26 -0.69 118.70 118.76 2by2 s GLU 409 Ca 0.18 0.76 -0.12 0.00 0.03 0.00 0.00 54.97 55.83 2by2 s GLU 409 Cb -0.08 -2.51 0.02 0.00 -0.80 0.00 0.00 34.13 30.76 2by2 s GLU 409 CO 0.23 0.19 1.11 1.03 -1.33 0.00 0.00 175.26 176.48 2by2 s ARG 410 N -2.77 2.73 0.20 -4.83 0.52 -1.26 -4.71 118.95 108.84 2by2 s ARG 410 Ca 0.52 0.44 -0.10 0.00 -0.52 0.00 0.00 55.73 56.07 2by2 s ARG 410 Cb -0.12 -2.01 0.20 0.00 0.52 0.00 0.00 34.95 33.55 2by2 s ARG 410 CO 0.18 -1.12 1.82 1.25 0.02 0.00 0.00 175.30 177.45 2by2 h LEU 411 N -0.71 0.58 -0.09 2.53 5.85 -1.93 0.13 115.31 121.67 2by2 h LEU 411 Ca -0.45 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.29 2by2 h LEU 411 Cb 1.26 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2by2 h LEU 411 CO 0.64 0.39 0.00 0.00 -0.34 0.00 0.00 178.44 179.12 2by2 n HIS 412 N -4.76 0.11 0.08 1.25 1.44 -1.26 -2.49 115.22 109.59 2by2 n HIS 412 Ca 0.07 0.04 0.04 0.00 -2.01 0.00 0.00 57.72 55.87 2by2 n HIS 412 Cb 0.14 -0.57 -0.03 0.00 0.12 0.00 0.00 29.99 29.65 2by2 n HIS 412 CO 0.00 0.00 0.00 1.96 -2.81 0.00 0.00 176.34 175.49 2by2 h GLN 413 N 0.00 0.00 -7.08 -1.40 4.20 -1.07 -3.45 115.11 106.31 2by2 h GLN 413 Ca 0.00 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.20 2by2 h GLN 413 Cb 0.29 0.00 0.08 0.00 0.30 0.00 0.00 27.48 28.16 2by2 h GLN 413 CO 0.00 0.23 0.46 -1.12 -0.67 0.00 0.00 178.83 177.72 2by2 s SER 414 N -5.81 5.63 0.17 1.46 0.01 -1.00 -4.86 113.70 109.30 2by2 s SER 414 Ca -0.00 2.27 -0.32 0.00 1.31 0.00 0.00 55.95 59.21 2by2 s SER 414 Cb 0.08 -2.59 -0.12 0.00 0.21 0.00 0.00 66.02 63.61 2by2 s SER 414 CO 0.79 -1.28 1.76 0.47 0.41 0.00 0.00 173.24 175.38 2by2 n ASP 415 N -1.25 3.93 0.00 2.44 8.00 -1.26 -2.48 116.55 125.93 2by2 n ASP 415 Ca 0.12 1.03 0.00 0.00 0.71 0.00 0.00 54.79 56.65 2by2 n ASP 415 Cb 0.50 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.05 2by2 n ASP 415 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2by2 n GLY 416 N 4.03 3.05 3.71 0.44 0.00 -1.26 -4.85 105.19 110.31 2by2 n GLY 416 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2by2 n GLY 416 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2by2 s VAL 417 N -2.57 2.46 0.33 1.61 1.01 -1.04 -5.00 120.40 117.21 2by2 s VAL 417 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.18 2by2 s VAL 417 Cb 0.00 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 2by2 s VAL 417 CO 0.00 0.01 0.54 0.42 0.00 0.00 0.00 175.10 176.06 2by2 s THR 418 N 1.85 5.11 0.46 3.92 -4.23 -1.26 -4.83 115.64 116.66 2by2 s THR 418 Ca 0.75 -0.42 0.20 0.00 -1.18 0.00 0.00 61.69 61.04 2by2 s THR 418 Cb -0.46 -3.84 0.24 0.00 1.34 0.00 0.00 72.50 69.78 2by2 s THR 418 CO 0.33 -0.51 2.06 -0.07 -0.54 0.00 0.00 174.62 175.89 2by2 h LEU 419 N 0.91 0.00 -0.35 4.79 3.38 -1.94 -0.27 115.31 121.83 2by2 h LEU 419 Ca -0.49 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.44 2by2 h LEU 419 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2by2 h LEU 419 CO 0.62 0.13 0.09 0.45 0.09 0.00 0.00 178.44 179.82 2by2 h HIS 420 N 0.00 0.59 -0.64 1.13 3.86 -1.91 -0.42 115.15 117.76 2by2 h HIS 420 Ca -0.00 -0.07 -0.05 0.00 -1.16 0.00 0.00 60.37 59.09 2by2 h HIS 420 Cb 0.26 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.54 2by2 h HIS 420 CO 0.00 0.59 0.21 0.93 0.86 0.00 0.00 177.93 180.52 2by2 h GLU 421 N 0.41 0.98 -0.74 2.45 5.08 -1.50 0.35 114.58 121.62 2by2 h GLU 421 Ca 0.11 -0.20 0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2by2 h GLU 421 Cb 0.30 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 2by2 h GLU 421 CO 0.00 0.86 0.45 -0.92 -1.00 0.00 0.00 179.01 178.39 2by2 h TYR 422 N 0.91 0.83 -0.26 4.33 3.20 -0.88 -0.11 116.97 124.99 2by2 h TYR 422 Ca 0.21 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.96 2by2 h TYR 422 Cb 0.27 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 2by2 h TYR 422 CO 0.02 0.44 -0.42 0.00 -1.64 0.00 0.00 178.16 176.55 2by2 h ARG 423 N 0.84 0.63 -0.66 1.82 3.08 -0.67 -2.42 114.38 117.01 2by2 h ARG 423 Ca 0.31 -0.33 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 2by2 h ARG 423 Cb 0.11 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 2by2 h ARG 423 CO -0.15 0.93 0.26 0.78 -1.07 0.00 0.00 179.97 180.73 2by2 h GLY 424 N 1.01 1.07 0.94 0.04 0.00 -0.42 -2.36 103.07 103.34 2by2 h GLY 424 Ca 0.04 -0.58 0.03 0.00 0.00 0.00 0.00 47.33 46.82 2by2 h GLY 424 CO 0.09 0.55 0.63 0.00 0.00 0.00 0.00 176.54 177.80 2by2 h ALA 425 N 1.11 1.38 -0.67 3.60 0.00 -0.85 -1.29 119.26 122.55 2by2 h ALA 425 Ca 0.22 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2by2 h ALA 425 Cb 0.21 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2by2 h ALA 425 CO -0.02 0.53 0.41 0.00 0.00 0.00 0.00 179.25 180.17 2by2 h ALA 426 N 1.44 0.85 -0.75 0.00 0.00 -1.12 -0.69 119.26 118.99 2by2 h ALA 426 Ca 0.38 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 2by2 h ALA 426 Cb 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2by2 h ALA 426 CO -0.12 0.32 0.23 0.00 0.00 0.00 0.00 179.25 179.69 2by2 h ALA 427 N 1.21 0.98 0.38 0.00 0.00 -0.82 0.29 119.26 121.31 2by2 h ALA 427 Ca 0.24 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2by2 h ALA 427 Cb -0.03 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.47 2by2 h ALA 427 CO -0.05 0.67 -0.18 1.25 0.00 0.00 0.00 179.25 180.94 2by2 h LEU 428 N 1.12 -0.43 -0.52 0.00 5.85 -1.01 -2.36 115.31 117.96 2by2 h LEU 428 Ca 0.24 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.97 2by2 h LEU 428 Cb 0.32 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 2by2 h LEU 428 CO -0.01 -0.23 0.26 0.25 -0.34 0.00 0.00 178.44 178.37 2by2 h LEU 429 N -0.62 0.36 -0.31 2.25 5.85 -0.94 -2.75 115.31 119.15 2by2 h LEU 429 Ca -0.05 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2by2 h LEU 429 Cb 0.45 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.45 2by2 h LEU 429 CO 0.09 0.25 -0.15 0.18 -0.34 0.00 0.00 178.44 178.46 2by2 n LEU 430 N -4.89 0.64 -0.16 2.25 4.77 0.08 -3.13 117.00 116.55 2by2 n LEU 430 Ca 0.05 -0.07 0.09 0.00 -0.03 0.00 0.00 56.01 56.05 2by2 n LEU 430 Cb 0.15 -0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 41.00 2by2 n LEU 430 CO 0.28 0.12 0.07 0.35 -1.33 0.00 0.00 177.39 176.88 2by2 n THR 431 N -0.87 0.00 -2.28 -5.08 -2.24 -0.89 -4.70 114.28 98.23 2by2 n THR 431 Ca 0.14 -0.13 -0.33 0.00 -2.27 0.00 0.00 64.05 61.46 2by2 n THR 431 Cb 0.30 1.08 -0.01 0.00 -2.10 0.00 0.00 70.33 69.60 2by2 n THR 431 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2by2 s LEU 432 N -2.72 3.65 -1.52 3.22 1.43 -1.06 -4.98 118.68 116.71 2by2 s LEU 432 Ca 0.11 1.83 -0.12 0.00 -1.03 0.00 0.00 54.13 54.92 2by2 s LEU 432 Cb 0.15 -4.54 -0.02 0.00 0.03 0.00 0.00 46.19 41.81 2by2 s LEU 432 CO 0.70 -0.95 2.54 -0.81 0.23 0.00 0.00 176.35 178.05 2by2 n PRO 433 N -1.56 3.19 -3.99 1.29 -0.04 -1.26 -4.90 135.00 127.72 2by2 n PRO 433 Ca 0.09 -2.41 -0.34 0.00 -0.04 0.00 0.00 63.50 60.80 2by2 n PRO 433 Cb 0.53 -3.07 -0.15 0.00 -0.04 0.00 0.00 33.50 30.77 2by2 n PRO 433 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2by2 s THR 435 N 2.79 2.71 0.36 0.52 2.01 -0.39 -4.09 115.64 119.56 2by2 s THR 435 Ca 0.57 -1.05 -0.06 0.00 0.31 0.00 0.00 61.69 61.46 2by2 s THR 435 Cb 0.16 -2.36 -0.05 0.00 0.01 0.00 0.00 72.50 70.25 2by2 s THR 435 CO -0.07 0.23 0.66 -2.16 -0.69 0.00 0.00 174.62 172.60 2by2 s PRO 436 N 1.30 3.65 -0.02 4.92 0.04 -1.26 -0.92 135.00 142.72 2by2 s PRO 436 Ca 0.00 0.17 0.02 0.00 0.04 0.00 0.00 61.00 61.23 2by2 s PRO 436 Cb -0.16 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.86 2by2 s PRO 436 CO -0.06 0.05 -0.08 -1.17 0.04 0.00 0.00 177.00 175.79 2by2 s LEU 437 N -3.91 1.85 0.08 -3.56 0.20 -0.24 -1.05 118.68 112.05 2by2 s LEU 437 Ca 0.47 -0.15 0.06 0.00 0.69 0.00 0.00 54.13 55.19 2by2 s LEU 437 Cb -0.10 -0.46 -0.04 0.00 -0.43 0.00 0.00 46.19 45.16 2by2 s LEU 437 CO 0.33 0.07 -0.08 -0.76 -0.29 0.00 0.00 176.35 175.63 2by2 s LEU 438 N 0.08 3.14 -0.02 -0.68 1.43 0.42 -4.37 118.68 118.69 2by2 s LEU 438 Ca -0.01 -0.30 -0.09 0.00 -1.03 0.00 0.00 54.13 52.70 2by2 s LEU 438 Cb -0.06 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.21 2by2 s LEU 438 CO 0.00 0.20 0.29 0.12 0.23 0.00 0.00 176.35 177.19 2by2 s PHE 439 N -1.19 3.62 0.08 0.29 5.36 -1.25 -0.33 117.98 124.57 2by2 s PHE 439 Ca 0.21 0.70 -0.36 0.00 -0.96 0.00 0.00 56.93 56.52 2by2 s PHE 439 Cb -0.11 -2.07 -0.18 0.00 -0.34 0.00 0.00 43.02 40.32 2by2 s PHE 439 CO 0.13 0.64 1.17 0.00 -1.46 0.00 0.00 175.22 175.71 2by2 n GLN 440 N 1.50 0.72 0.00 10.12 10.64 -0.11 -0.99 117.38 139.26 2by2 n GLN 440 Ca -0.14 0.26 0.00 0.00 -1.83 0.00 0.00 57.00 55.29 2by2 n GLN 440 Cb 0.53 -1.79 0.00 0.00 -0.86 0.00 0.00 30.24 28.12 2by2 n GLN 440 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2by2 n GLY 441 N 2.06 2.64 0.23 2.61 0.00 -1.26 -4.87 105.19 106.60 2by2 n GLY 441 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 2by2 n GLY 441 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2by2 h GLN 442 N 2.14 0.00 0.00 1.61 3.07 -1.47 -1.77 115.11 118.69 2by2 h GLN 442 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2by2 h GLN 442 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 2by2 h GLN 442 CO 0.00 0.20 0.00 1.05 0.09 0.00 0.00 178.83 180.17 2by2 h GLU 443 N 0.00 0.00 -0.06 0.06 9.09 -1.90 -2.30 114.58 119.47 2by2 h GLU 443 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 2by2 h GLU 443 Cb 0.43 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.53 2by2 h GLU 443 CO 0.03 0.00 -0.01 -2.67 0.05 0.00 0.00 179.01 176.41 2by2 n TRP 444 N -2.83 0.20 -3.70 2.06 2.14 -0.96 -2.27 117.44 112.08 2by2 n TRP 444 Ca -0.00 -0.98 -0.26 0.00 2.07 0.00 0.00 57.50 58.32 2by2 n TRP 444 Cb 0.19 -0.19 0.03 0.00 -0.81 0.00 0.00 31.31 30.53 2by2 n TRP 444 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2by2 n ALA 445 N -1.24 -2.30 -1.54 -1.67 0.00 -0.87 -4.24 120.51 108.66 2by2 n ALA 445 Ca 0.17 -0.19 -0.41 0.00 0.00 0.00 0.00 53.44 53.01 2by2 n ALA 445 Cb 0.70 -3.19 0.02 0.00 0.00 0.00 0.00 19.45 16.97 2by2 n ALA 445 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2by2 n ALA 446 N -4.16 -0.61 0.79 0.00 0.00 -0.71 -4.87 120.51 110.96 2by2 n ALA 446 Ca -0.19 0.15 0.13 0.00 0.00 0.00 0.00 53.44 53.53 2by2 n ALA 446 Cb 0.64 -1.94 0.34 0.00 0.00 0.00 0.00 19.45 18.48 2by2 n ALA 446 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2by2 n SER 447 N 0.65 0.51 -4.90 0.00 3.41 -1.26 -4.88 113.62 107.16 2by2 n SER 447 Ca 0.11 0.19 -0.33 0.00 -0.26 0.00 0.00 58.87 58.59 2by2 n SER 447 Cb 0.41 -0.14 -0.05 0.00 -0.26 0.00 0.00 64.21 64.17 2by2 n SER 447 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2by2 s THR 448 N -3.07 5.26 0.99 6.66 -4.23 -1.26 -5.07 115.64 114.91 2by2 s THR 448 Ca 0.10 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.46 2by2 s THR 448 Cb 0.15 -3.61 0.19 0.00 1.34 0.00 0.00 72.50 70.57 2by2 s THR 448 CO 0.65 0.18 1.19 -2.16 -0.54 0.00 0.00 174.62 173.94 2by2 s PRO 449 N -2.30 0.51 -0.36 3.99 0.04 -1.26 -4.79 135.00 130.83 2by2 s PRO 449 Ca 0.35 -0.03 0.02 0.00 0.04 0.00 0.00 61.00 61.38 2by2 s PRO 449 Cb -0.13 -1.79 0.11 0.00 0.04 0.00 0.00 34.50 32.73 2by2 s PRO 449 CO 0.22 -2.56 0.13 0.12 0.04 0.00 0.00 177.00 174.94 2by2 s PHE 450 N -3.44 2.53 0.32 0.56 5.36 0.14 -4.29 117.98 119.16 2by2 s PHE 450 Ca 0.68 -2.40 0.01 0.00 -0.96 0.00 0.00 56.93 54.27 2by2 s PHE 450 Cb -0.10 -2.22 -0.03 0.00 -0.34 0.00 0.00 43.02 40.32 2by2 s PHE 450 CO 0.53 -0.87 0.51 -0.65 -1.46 0.00 0.00 175.22 173.28 2by2 s GLN 451 N 0.97 3.48 -0.11 10.12 -0.21 -1.26 -3.25 119.66 129.39 2by2 s GLN 451 Ca 0.12 -0.41 -0.30 0.00 0.02 0.00 0.00 55.36 54.80 2by2 s GLN 451 Cb -0.20 -2.71 -0.02 0.00 1.00 0.00 0.00 33.01 31.08 2by2 s GLN 451 CO -0.12 0.21 1.23 0.12 -2.12 0.00 0.00 175.29 174.60 2by2 s PHE 452 N -2.23 3.03 0.08 0.91 5.36 -1.26 -4.96 117.98 118.91 2by2 s PHE 452 Ca 0.39 1.12 0.05 0.00 -0.96 0.00 0.00 56.93 57.53 2by2 s PHE 452 Cb -0.10 -3.46 -0.03 0.00 -0.34 0.00 0.00 43.02 39.10 2by2 s PHE 452 CO 0.34 -1.48 -0.14 -0.59 -1.46 0.00 0.00 175.22 171.90 2by2 s PHE 453 N 2.87 1.24 0.28 10.12 -0.12 -1.26 -4.19 117.98 126.92 2by2 s PHE 453 Ca 0.55 -0.49 -0.11 0.00 -0.05 0.00 0.00 56.93 56.83 2by2 s PHE 453 Cb -0.23 -0.69 0.00 0.00 -0.63 0.00 0.00 43.02 41.47 2by2 s PHE 453 CO 0.18 0.07 0.50 -1.54 -0.05 0.00 0.00 175.22 174.37 2by2 s SER 454 N -1.90 0.12 -0.34 1.98 1.04 0.32 -3.83 113.70 111.08 2by2 s SER 454 Ca 0.00 -1.06 0.15 0.00 0.48 0.00 0.00 55.95 55.52 2by2 s SER 454 Cb -0.09 0.62 0.44 0.00 0.10 0.00 0.00 66.02 67.09 2by2 s SER 454 CO 0.02 -1.21 1.14 -0.67 0.98 0.00 0.00 173.24 173.51 2by2 n ASP 455 N -0.66 0.12 -4.83 7.02 2.03 -1.22 -4.09 116.55 114.93 2by2 n ASP 455 Ca -0.02 -2.53 -0.31 0.00 0.52 0.00 0.00 54.79 52.45 2by2 n ASP 455 Cb 0.62 0.09 0.03 0.00 -0.72 0.00 0.00 41.12 41.13 2by2 n ASP 455 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2by2 s HIS 456 N -1.84 3.19 0.38 -0.67 3.76 -1.26 -3.83 115.29 115.02 2by2 s HIS 456 Ca 0.24 1.43 -0.08 0.00 -0.15 0.00 0.00 55.06 56.50 2by2 s HIS 456 Cb 0.43 -2.88 -0.06 0.00 1.11 0.00 0.00 32.58 31.18 2by2 s HIS 456 CO -0.02 -1.06 0.71 0.00 -0.85 0.00 0.00 174.74 173.52 2by2 s ALA 457 N -2.90 3.43 0.00 -1.40 0.00 -1.26 -4.06 121.76 115.57 2by2 s ALA 457 Ca 0.59 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.20 2by2 s ALA 457 Cb -0.14 -2.57 0.00 0.00 0.00 0.00 0.00 23.12 20.41 2by2 s ALA 457 CO 0.49 0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.67 2by2 n GLY 458 N -1.33 2.52 0.30 0.00 0.00 -1.26 -1.52 105.19 103.90 2by2 n GLY 458 Ca 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 46.02 45.81 2by2 n GLY 458 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2by2 h GLU 459 N 0.00 0.76 -0.44 1.61 5.08 -1.99 -1.94 114.58 117.66 2by2 h GLU 459 Ca 0.00 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2by2 h GLU 459 Cb 0.00 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 2by2 h GLU 459 CO 0.00 0.69 0.27 1.25 -1.00 0.00 0.00 179.01 180.22 2by2 h LEU 460 N 0.73 0.46 -0.46 1.33 5.85 -1.86 0.15 115.31 121.50 2by2 h LEU 460 Ca 0.16 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.89 2by2 h LEU 460 Cb 0.28 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 2by2 h LEU 460 CO -0.00 0.33 0.29 1.23 -0.34 0.00 0.00 178.44 179.95 2by2 h GLY 461 N 0.55 0.65 1.17 3.75 0.00 -0.72 -1.00 103.07 107.47 2by2 h GLY 461 Ca 0.17 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 2by2 h GLY 461 CO -0.06 0.20 0.50 1.46 0.00 0.00 0.00 176.54 178.65 2by2 h GLN 462 N 0.59 1.10 -0.56 4.80 4.20 -0.71 -2.29 115.11 122.23 2by2 h GLN 462 Ca 0.18 -0.09 -0.08 0.00 0.06 0.00 0.00 58.65 58.71 2by2 h GLN 462 Cb -0.02 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.50 2by2 h GLN 462 CO -0.06 0.76 0.01 0.00 -0.67 0.00 0.00 178.83 178.87 2by2 h ALA 463 N 1.43 0.97 -0.31 3.87 0.00 -0.19 -1.58 119.26 123.46 2by2 h ALA 463 Ca 0.30 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2by2 h ALA 463 Cb -0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2by2 h ALA 463 CO -0.06 0.63 0.13 0.28 0.00 0.00 0.00 179.25 180.23 2by2 h VAL 464 N 0.88 1.18 -0.10 0.00 2.07 -0.72 0.16 116.25 119.72 2by2 h VAL 464 Ca 0.16 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2by2 h VAL 464 Cb 0.50 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2by2 h VAL 464 CO 0.02 0.19 0.06 0.28 0.02 0.00 0.00 177.57 178.14 2by2 h SER 465 N 0.35 0.11 -0.70 0.57 0.02 -1.26 -1.58 113.55 111.06 2by2 h SER 465 Ca 0.10 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 2by2 h SER 465 Cb 0.18 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 2by2 h SER 465 CO -0.01 0.08 0.46 -0.08 -1.14 0.00 0.00 176.83 176.14 2by2 h GLU 466 N 0.13 0.90 -0.94 3.45 4.57 -1.19 -2.28 114.58 119.21 2by2 h GLU 466 Ca 0.03 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 2by2 h GLU 466 Cb -0.01 -0.20 -0.05 0.00 -0.16 0.00 0.00 28.75 28.33 2by2 h GLU 466 CO -0.01 0.59 0.57 0.78 -1.18 0.00 0.00 179.01 179.77 2by2 h GLY 467 N 0.93 1.37 1.09 1.92 0.00 -0.39 -1.99 103.07 105.99 2by2 h GLY 467 Ca 0.26 -0.57 -0.15 0.00 0.00 0.00 0.00 47.33 46.87 2by2 h GLY 467 CO -0.07 0.55 -0.39 -0.09 0.00 0.00 0.00 176.54 176.54 2by2 h ARG 468 N 1.30 0.86 0.07 4.80 9.65 -1.02 -1.74 114.38 128.31 2by2 h ARG 468 Ca 0.34 -0.47 -0.00 0.00 -1.10 0.00 0.00 59.98 58.74 2by2 h ARG 468 Cb -0.06 0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 28.55 2by2 h ARG 468 CO -0.06 1.12 -0.04 -0.22 2.80 0.00 0.00 179.97 183.56 2by2 h LYS 469 N 0.65 -0.10 -0.76 0.20 3.64 -1.22 -3.07 116.57 115.91 2by2 h LYS 469 Ca 0.05 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 2by2 h LYS 469 Cb 0.98 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.79 2by2 h LYS 469 CO 0.09 -0.07 0.28 0.87 -2.27 0.00 0.00 179.45 178.36 2by2 h LYS 470 N -0.10 1.14 -0.96 1.90 1.57 -1.34 -3.06 116.57 115.72 2by2 h LYS 470 Ca -0.01 -0.22 0.10 0.00 -1.87 0.00 0.00 60.65 58.65 2by2 h LYS 470 Cb 0.08 -0.18 -0.07 0.00 0.08 0.00 0.00 32.23 32.14 2by2 h LYS 470 CO 0.01 0.94 0.62 1.49 -0.57 0.00 0.00 179.45 181.94 2by2 h GLU 471 N 1.11 0.97 0.00 3.15 4.81 -1.22 -3.52 114.58 119.89 2by2 h GLU 471 Ca 0.25 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2by2 h GLU 471 Cb 0.24 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.40 2by2 h GLU 471 CO -0.02 0.64 0.00 1.19 -0.73 0.00 0.00 179.01 180.09 2by2 n PHE 472 N -4.56 0.00 -3.10 0.92 3.01 -1.16 -5.11 117.46 107.46 2by2 n PHE 472 Ca 0.17 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.30 2by2 n PHE 472 Cb 0.30 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.71 2by2 n PHE 472 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2by2 s ASP 482 N 0.33 6.81 -0.03 4.37 1.01 -1.26 -5.03 116.67 122.88 2by2 s ASP 482 Ca 0.00 1.33 -0.30 0.00 0.71 0.00 0.00 52.55 54.29 2by2 s ASP 482 Cb 0.00 -2.39 -0.04 0.00 1.01 0.00 0.00 42.92 41.50 2by2 s ASP 482 CO 0.00 -0.21 1.18 -0.69 0.21 0.00 0.00 175.17 175.66 2by2 s VAL 483 N -1.98 4.27 0.23 -1.27 1.01 -1.26 -4.97 120.40 116.44 2by2 s VAL 483 Ca 0.54 1.61 -0.31 0.00 0.00 0.00 0.00 61.98 63.82 2by2 s VAL 483 Cb -0.10 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 32.14 2by2 s VAL 483 CO 0.17 0.03 1.52 -2.16 0.00 0.00 0.00 175.10 174.66 2by2 s PRO 484 N 1.89 4.22 -0.11 2.72 0.04 -1.26 -4.92 135.00 137.59 2by2 s PRO 484 Ca 0.56 2.39 -0.29 0.00 0.04 0.00 0.00 61.00 63.69 2by2 s PRO 484 Cb -0.25 -3.10 -0.05 0.00 0.04 0.00 0.00 34.50 31.14 2by2 s PRO 484 CO 0.24 -0.53 1.65 0.34 0.04 0.00 0.00 177.00 178.74 2by2 s ASP 485 N 0.65 6.55 0.56 6.66 -1.08 -1.26 -4.87 116.67 123.88 2by2 s ASP 485 Ca 0.64 2.05 0.24 0.00 -0.52 0.00 0.00 52.55 54.96 2by2 s ASP 485 Cb -0.44 -2.53 1.57 0.00 -1.46 0.00 0.00 42.92 40.06 2by2 s ASP 485 CO 0.40 -1.05 2.17 1.55 0.52 0.00 0.00 175.17 178.77 2by2 h PRO 486 N 10.02 0.00 0.00 4.34 0.13 -1.91 -1.53 132.00 143.04 2by2 h PRO 486 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2by2 h PRO 486 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2by2 h PRO 486 CO 0.97 0.00 -0.17 1.04 -0.23 0.00 0.00 178.00 179.61 2by2 n GLN 487 N -4.12 0.00 -2.52 0.86 1.13 -1.26 -0.52 117.38 110.95 2by2 n GLN 487 Ca -0.01 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.64 2by2 n GLN 487 Cb 0.17 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 28.97 2by2 n GLN 487 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2by2 s ALA 488 N -3.00 3.37 0.33 -1.58 0.00 -0.58 -4.84 121.76 115.45 2by2 s ALA 488 Ca 0.13 0.80 0.07 0.00 0.00 0.00 0.00 51.96 52.97 2by2 s ALA 488 Cb 0.18 -3.35 0.76 0.00 0.00 0.00 0.00 23.12 20.71 2by2 s ALA 488 CO 0.59 -0.21 1.83 0.93 0.00 0.00 0.00 175.76 178.90 2by2 h GLU 489 N 5.17 0.74 -0.57 0.00 5.08 -1.89 -1.43 114.58 121.67 2by2 h GLU 489 Ca -0.44 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 57.92 2by2 h GLU 489 Cb 1.21 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 2by2 h GLU 489 CO 0.73 0.49 0.38 0.37 -1.00 0.00 0.00 179.01 179.97 2by2 h GLN 490 N 0.76 0.58 -0.58 2.33 5.75 -1.92 -0.70 115.11 121.32 2by2 h GLN 490 Ca 0.50 -0.03 -0.09 0.00 -0.15 0.00 0.00 58.65 58.88 2by2 h GLN 490 Cb 0.77 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.17 2by2 h GLN 490 CO -0.27 0.38 0.02 1.15 -2.65 0.00 0.00 178.83 177.46 2by2 h THR 491 N 0.60 1.26 0.17 2.39 2.02 -1.51 0.26 112.91 118.10 2by2 h THR 491 Ca 0.24 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.31 2by2 h THR 491 Cb 0.20 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 2by2 h THR 491 CO -0.07 0.40 -0.08 0.15 0.37 0.00 0.00 175.52 176.29 2by2 h PHE 492 N 0.92 -0.22 -0.55 3.16 3.57 -1.41 -3.12 116.94 119.28 2by2 h PHE 492 Ca 0.17 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 2by2 h PHE 492 Cb 0.51 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 2by2 h PHE 492 CO 0.03 0.08 0.24 -0.07 -2.23 0.00 0.00 178.31 176.36 2by2 h LEU 493 N -0.51 0.71 -0.86 0.59 3.38 -0.96 -1.82 115.31 115.84 2by2 h LEU 493 Ca -0.02 -0.08 0.23 0.00 0.09 0.00 0.00 57.88 58.10 2by2 h LEU 493 Cb 0.39 -0.18 -0.14 0.00 0.09 0.00 0.00 40.66 40.82 2by2 h LEU 493 CO 0.04 0.62 0.21 0.78 0.09 0.00 0.00 178.44 180.18 2by2 h ASN 494 N 0.78 -0.03 0.50 -0.43 2.35 -0.51 -2.15 115.58 116.10 2by2 h ASN 494 Ca 0.19 0.19 0.00 0.00 -0.55 0.00 0.00 56.30 56.14 2by2 h ASN 494 Cb 0.12 0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.76 2by2 h ASN 494 CO -0.02 -0.15 -0.04 -1.20 -1.65 0.00 0.00 177.43 174.37 2by2 n SER 495 N -5.23 0.13 -4.75 5.81 7.64 -0.69 -4.34 113.62 112.19 2by2 n SER 495 Ca 0.20 -0.28 -0.41 0.00 1.01 0.00 0.00 58.87 59.39 2by2 n SER 495 Cb 0.65 -0.21 -0.02 0.00 -1.01 0.00 0.00 64.21 63.62 2by2 n SER 495 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2by2 s LYS 496 N -2.54 4.20 0.35 1.43 -0.14 -0.81 -4.82 119.74 117.41 2by2 s LYS 496 Ca 0.29 2.42 -0.28 0.00 -1.36 0.00 0.00 55.97 57.03 2by2 s LYS 496 Cb 0.20 -3.07 -0.11 0.00 -1.68 0.00 0.00 37.83 33.17 2by2 s LYS 496 CO 0.47 -0.52 1.41 -0.51 -0.76 0.00 0.00 175.35 175.44 2by2 s LEU 497 N -0.37 4.37 -0.51 3.17 1.43 -0.73 -4.87 118.68 121.18 2by2 s LEU 497 Ca 0.61 2.87 -0.12 0.00 -1.03 0.00 0.00 54.13 56.46 2by2 s LEU 497 Cb -0.44 -3.66 0.13 0.00 0.03 0.00 0.00 46.19 42.25 2by2 s LEU 497 CO 0.45 -0.71 0.42 0.21 0.23 0.00 0.00 176.35 176.95 2by2 s ASN 498 N -0.26 5.93 0.28 2.29 3.84 -1.26 -4.75 114.94 121.01 2by2 s ASN 498 Ca 0.52 -1.88 0.03 0.00 0.21 0.00 0.00 52.86 51.73 2by2 s ASN 498 Cb -0.43 -2.10 0.39 0.00 -0.55 0.00 0.00 41.25 38.56 2by2 s ASN 498 CO 0.57 -0.76 1.70 -0.50 -2.79 0.00 0.00 177.10 175.32 2by2 h TRP 499 N 8.62 0.51 0.00 0.43 4.06 -1.94 -3.11 115.95 124.52 2by2 h TRP 499 Ca -0.24 -0.12 -0.07 0.00 2.06 0.00 0.00 58.89 60.52 2by2 h TRP 499 Cb 1.08 -0.12 -0.01 0.00 -1.00 0.00 0.00 29.16 29.11 2by2 h TRP 499 CO 0.69 0.70 -0.34 0.00 -3.56 0.00 0.00 178.44 175.93 2by2 h ALA 500 N 1.29 1.42 0.00 1.49 0.00 -2.04 -3.14 119.26 118.28 2by2 h ALA 500 Ca 0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2by2 h ALA 500 Cb 0.72 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2by2 h ALA 500 CO 0.06 0.42 -0.07 1.05 0.00 0.00 0.00 179.25 180.70 2by2 h GLU 501 N 0.00 0.00 0.00 0.00 4.11 -1.95 -2.45 114.58 114.29 2by2 h GLU 501 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2by2 h GLU 501 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2by2 h GLU 501 CO 0.04 0.07 0.00 2.89 0.07 0.00 0.00 179.01 182.09 2by2 n ARG 502 N -3.31 0.13 0.00 1.06 1.85 -1.19 -2.50 116.66 112.71 2by2 n ARG 502 Ca -0.01 0.45 0.14 0.00 -1.00 0.00 0.00 57.85 57.43 2by2 n ARG 502 Cb 0.26 -1.80 0.61 0.00 -1.05 0.00 0.00 32.46 30.48 2by2 n ARG 502 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2by2 n GLU 503 N -2.06 0.01 -4.21 2.89 1.02 -0.92 -3.05 120.64 114.32 2by2 n GLU 503 Ca 0.01 0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 57.04 2by2 n GLU 503 Cb 0.15 -1.51 -0.10 0.00 -0.02 0.00 0.00 31.44 29.96 2by2 n GLU 503 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2by2 s GLY 504 N -3.03 0.99 0.00 0.62 0.00 -1.04 -4.78 107.32 100.09 2by2 s GLY 504 Ca 0.14 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.39 2by2 s GLY 504 CO 0.53 -1.52 0.00 0.61 0.00 0.00 0.00 173.10 172.72 2by2 n GLY 505 N -0.15 2.62 0.25 0.20 0.00 -1.26 -1.12 105.19 105.73 2by2 n GLY 505 Ca -0.10 -0.38 0.13 0.00 0.00 0.00 0.00 46.02 45.68 2by2 n GLY 505 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2by2 h GLU 506 N 0.00 0.00 -0.16 1.61 4.39 -1.96 -2.19 114.58 116.28 2by2 h GLU 506 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2by2 h GLU 506 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2by2 h GLU 506 CO 0.00 0.11 0.05 0.45 -1.16 0.00 0.00 179.01 178.46 2by2 h HIS 507 N 0.00 0.25 -0.55 4.33 3.86 -1.64 -0.72 115.15 120.69 2by2 h HIS 507 Ca -0.00 -0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.12 2by2 h HIS 507 Cb 0.66 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 29.03 2by2 h HIS 507 CO 0.00 0.36 0.10 0.00 0.86 0.00 0.00 177.93 179.25 2by2 h ALA 508 N 0.86 1.14 -0.68 2.45 0.00 -0.75 -0.72 119.26 121.56 2by2 h ALA 508 Ca 0.05 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2by2 h ALA 508 Cb 0.23 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2by2 h ALA 508 CO -0.00 0.57 0.15 -0.09 0.00 0.00 0.00 179.25 179.88 2by2 h ARG 509 N 0.82 1.09 -0.51 0.00 2.43 -1.29 -0.30 114.38 116.62 2by2 h ARG 509 Ca 0.17 -0.26 -0.09 0.00 -0.81 0.00 0.00 59.98 58.98 2by2 h ARG 509 Cb 0.35 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 2by2 h ARG 509 CO 0.01 0.97 -0.05 1.15 -1.51 0.00 0.00 179.97 180.54 2by2 h THR 510 N 1.04 1.27 -0.62 0.20 2.02 -0.79 -2.40 112.91 113.63 2by2 h THR 510 Ca 0.21 -1.17 -0.05 0.00 0.77 0.00 0.00 66.41 66.18 2by2 h THR 510 Cb 0.38 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 2by2 h THR 510 CO 0.00 0.41 0.19 0.25 0.37 0.00 0.00 175.52 176.75 2by2 h LEU 511 N 0.80 0.90 -0.83 2.58 5.85 -0.69 -0.56 115.31 123.36 2by2 h LEU 511 Ca 0.14 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.69 2by2 h LEU 511 Cb 0.59 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 2by2 h LEU 511 CO 0.04 0.87 0.53 -0.09 -0.34 0.00 0.00 178.44 179.45 2by2 h ARG 512 N 0.88 0.98 -0.42 1.25 2.43 -0.89 0.08 114.38 118.69 2by2 h ARG 512 Ca 0.20 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 2by2 h ARG 512 Cb 0.29 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 2by2 h ARG 512 CO -0.01 0.65 0.13 1.25 -1.51 0.00 0.00 179.97 180.48 2by2 h LEU 513 N 1.01 0.62 -0.58 3.80 5.85 -0.90 -0.34 115.31 124.77 2by2 h LEU 513 Ca 0.34 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.87 2by2 h LEU 513 Cb 0.05 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 2by2 h LEU 513 CO -0.13 0.66 0.37 1.88 -0.34 0.00 0.00 178.44 180.88 2by2 h TYR 514 N 0.54 0.69 -0.69 1.25 -1.99 -0.64 0.97 116.97 117.09 2by2 h TYR 514 Ca 0.14 0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.90 2by2 h TYR 514 Cb 0.27 -0.23 -0.04 0.00 2.00 0.00 0.00 36.73 38.73 2by2 h TYR 514 CO 0.01 0.41 0.45 0.00 -0.00 0.00 0.00 178.16 179.03 2by2 h ARG 515 N 0.73 0.87 -0.47 4.88 3.08 -0.79 -0.56 114.38 122.12 2by2 h ARG 515 Ca 0.23 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.15 2by2 h ARG 515 Cb -0.02 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 2by2 h ARG 515 CO -0.08 0.58 -0.00 -0.44 -1.07 0.00 0.00 179.97 178.96 2by2 h ASP 516 N 0.90 0.82 -0.57 7.04 3.32 -0.43 -0.96 116.42 126.54 2by2 h ASP 516 Ca 0.26 -0.31 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 2by2 h ASP 516 Cb -0.05 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 2by2 h ASP 516 CO -0.08 0.93 0.01 -0.07 -1.72 0.00 0.00 179.24 178.31 2by2 h LEU 517 N 0.69 0.97 -0.79 1.55 3.38 -0.60 -0.58 115.31 119.93 2by2 h LEU 517 Ca 0.13 -0.30 -0.12 0.00 0.09 0.00 0.00 57.88 57.68 2by2 h LEU 517 Cb 0.51 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2by2 h LEU 517 CO 0.02 1.04 -0.43 -0.07 0.09 0.00 0.00 178.44 179.09 2by2 h LEU 518 N 0.88 0.40 -0.29 1.67 3.38 -0.95 -0.07 115.31 120.34 2by2 h LEU 518 Ca 0.16 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 2by2 h LEU 518 Cb 0.53 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2by2 h LEU 518 CO 0.03 0.79 -0.03 -0.09 0.09 0.00 0.00 178.44 179.22 2by2 h ARG 519 N 0.31 0.53 -0.86 1.13 2.43 -1.05 -2.29 114.38 114.58 2by2 h ARG 519 Ca 0.02 -0.19 0.07 0.00 -0.81 0.00 0.00 59.98 59.08 2by2 h ARG 519 Cb 0.89 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.34 2by2 h ARG 519 CO 0.07 0.71 0.53 1.25 -1.51 0.00 0.00 179.97 181.02 2by2 h LEU 520 N 0.30 0.82 -0.51 3.80 5.85 -0.81 0.72 115.31 125.48 2by2 h LEU 520 Ca 0.08 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2by2 h LEU 520 Cb 0.49 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2by2 h LEU 520 CO 0.02 0.52 0.27 -0.09 -0.34 0.00 0.00 178.44 178.82 2by2 h ARG 521 N 0.95 0.72 -0.29 1.25 2.43 -0.93 -0.64 114.38 117.86 2by2 h ARG 521 Ca 0.38 -0.09 -0.18 0.00 -0.81 0.00 0.00 59.98 59.28 2by2 h ARG 521 Cb 0.20 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 2by2 h ARG 521 CO -0.18 0.57 -0.52 -0.09 -1.51 0.00 0.00 179.97 178.23 2by2 h ARG 522 N 0.68 0.85 0.00 0.20 2.43 -0.93 -3.38 114.38 114.23 2by2 h ARG 522 Ca 0.18 -0.53 -0.25 0.00 -0.81 0.00 0.00 59.98 58.57 2by2 h ARG 522 Cb 0.07 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.63 2by2 h ARG 522 CO -0.03 1.16 -2.13 0.39 -1.51 0.00 0.00 179.97 177.86 2by2 n GLU 523 N -4.01 0.67 -2.45 0.20 1.02 0.20 -4.92 120.64 111.35 2by2 n GLU 523 Ca -0.04 -0.01 -0.43 0.00 -0.02 0.00 0.00 57.16 56.66 2by2 n GLU 523 Cb 0.61 -1.57 -0.02 0.00 -0.02 0.00 0.00 31.44 30.44 2by2 n GLU 523 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2by2 s ASP 524 N -5.31 6.97 0.55 1.62 2.15 -0.26 -4.90 116.67 117.49 2by2 s ASP 524 Ca -0.08 1.67 0.33 0.00 0.43 0.00 0.00 52.55 54.89 2by2 s ASP 524 Cb 0.08 -2.54 1.55 0.00 -0.30 0.00 0.00 42.92 41.72 2by2 s ASP 524 CO 0.85 -0.73 2.07 1.55 -0.17 0.00 0.00 175.17 178.74 2by2 h PRO 525 N 8.05 0.00 0.19 4.34 0.13 -1.91 -2.71 132.00 140.09 2by2 h PRO 525 Ca -0.26 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.52 2by2 h PRO 525 Cb 1.10 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.25 2by2 h PRO 525 CO 0.96 0.07 -1.70 0.28 -0.23 0.00 0.00 178.00 177.38 2by2 h VAL 526 N 0.00 0.98 0.00 1.56 2.07 -1.90 -3.31 116.25 115.65 2by2 h VAL 526 Ca -0.00 -2.52 0.00 0.00 0.82 0.00 0.00 66.70 64.99 2by2 h VAL 526 Cb 0.38 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 2by2 h VAL 526 CO 0.01 0.85 0.00 -0.07 0.02 0.00 0.00 177.57 178.37 2by2 h LEU 527 N 0.08 0.00 -1.93 2.57 3.38 -1.83 -0.32 115.31 117.27 2by2 h LEU 527 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2by2 h LEU 527 Cb 2.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.84 2by2 h LEU 527 CO 0.18 0.00 0.00 0.45 0.09 0.00 0.00 178.44 179.16 2by2 h HIS 528 N 0.00 0.00 -2.13 1.13 3.86 -1.57 -3.45 115.15 112.98 2by2 h HIS 528 Ca 0.00 0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.58 2by2 h HIS 528 Cb 0.14 0.00 0.10 0.00 1.06 0.00 0.00 27.41 28.71 2by2 h HIS 528 CO 0.00 0.00 0.10 -1.71 0.86 0.00 0.00 177.93 177.18 2by2 n ASN 529 N -2.53 1.02 -0.81 2.45 5.15 -0.13 -4.90 115.26 115.52 2by2 n ASN 529 Ca -0.02 1.16 0.04 0.00 -0.60 0.00 0.00 54.58 55.16 2by2 n ASN 529 Cb 0.05 -1.23 0.06 0.00 -0.53 0.00 0.00 39.78 38.13 2by2 n ASN 529 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2by2 n ARG 530 N 1.08 0.40 -4.70 1.20 5.12 -1.26 -4.60 116.66 113.90 2by2 n ARG 530 Ca 0.12 -1.89 -0.33 0.00 -1.93 0.00 0.00 57.85 53.83 2by2 n ARG 530 Cb 0.29 -0.62 -0.16 0.00 -1.16 0.00 0.00 32.46 30.81 2by2 n ARG 530 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2by2 s GLN 531 N -0.84 3.14 0.49 5.56 -0.21 -1.26 -3.86 119.66 122.67 2by2 s GLN 531 Ca 0.22 -0.80 0.23 0.00 0.02 0.00 0.00 55.36 55.03 2by2 s GLN 531 Cb 0.23 -2.51 1.26 0.00 1.00 0.00 0.00 33.01 32.98 2by2 s GLN 531 CO -0.07 0.05 2.02 0.00 -2.12 0.00 0.00 175.29 175.17 2by2 h ARG 532 N 7.17 0.00 -0.56 2.91 3.08 -1.93 -1.46 114.38 123.59 2by2 h ARG 532 Ca -0.30 0.00 0.16 0.00 0.07 0.00 0.00 59.98 59.91 2by2 h ARG 532 Cb 1.20 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.23 2by2 h ARG 532 CO 0.55 0.17 0.40 1.49 -1.07 0.00 0.00 179.97 181.51 2by2 h GLU 533 N 0.00 0.01 -0.28 0.04 4.81 -1.99 -1.73 114.58 115.44 2by2 h GLU 533 Ca -0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2by2 h GLU 533 Cb 0.39 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2by2 h GLU 533 CO 0.02 0.01 0.00 0.09 -0.73 0.00 0.00 179.01 178.40 2by2 n ASN 534 N -4.37 2.79 -4.32 1.04 3.02 -0.55 -4.90 115.26 107.98 2by2 n ASN 534 Ca 0.10 -1.89 -0.33 0.00 -0.03 0.00 0.00 54.58 52.43 2by2 n ASN 534 Cb 0.63 -0.18 -0.15 0.00 -0.61 0.00 0.00 39.78 39.47 2by2 n ASN 534 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2by2 s LEU 535 N -1.56 2.63 0.15 3.41 2.96 -0.65 -1.90 118.68 123.72 2by2 s LEU 535 Ca 0.36 -0.40 0.06 0.00 -0.22 0.00 0.00 54.13 53.92 2by2 s LEU 535 Cb 0.21 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 45.25 2by2 s LEU 535 CO 0.30 0.11 -0.12 0.42 -1.32 0.00 0.00 176.35 175.73 2by2 s THR 536 N 0.68 1.34 0.07 3.68 -4.23 0.21 -4.97 115.64 112.42 2by2 s THR 536 Ca -0.07 -1.99 -0.01 0.00 -1.18 0.00 0.00 61.69 58.44 2by2 s THR 536 Cb -0.15 -1.79 -0.04 0.00 1.34 0.00 0.00 72.50 71.85 2by2 s THR 536 CO 0.02 -0.62 -0.01 0.42 -0.54 0.00 0.00 174.62 173.89 2by2 s THR 537 N -2.91 0.20 0.00 3.99 -4.23 -1.26 -0.01 115.64 111.41 2by2 s THR 537 Ca 0.16 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 2by2 s THR 537 Cb -0.00 -1.64 0.00 0.00 1.34 0.00 0.00 72.50 72.19 2by2 s THR 537 CO 0.03 -0.88 0.00 0.61 -0.54 0.00 0.00 174.62 173.84 2by2 n GLY 538 N 0.06 1.49 3.27 3.99 0.00 -0.51 -4.98 105.19 108.52 2by2 n GLY 538 Ca -0.12 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 2by2 n GLY 538 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2by2 s HIS 539 N -4.17 -0.08 -0.22 1.61 -3.43 -1.26 -1.16 115.29 106.57 2by2 s HIS 539 Ca 0.00 -0.20 -0.02 0.00 -0.80 0.00 0.00 55.06 54.04 2by2 s HIS 539 Cb 0.00 0.12 0.07 0.00 -1.43 0.00 0.00 32.58 31.34 2by2 s HIS 539 CO 0.00 -0.59 0.04 0.34 -2.00 0.00 0.00 174.74 172.53 2by2 s ASP 540 N -2.56 3.22 1.97 7.38 2.15 -0.08 -4.98 116.67 123.76 2by2 s ASP 540 Ca 0.01 -1.02 0.00 0.00 0.43 0.00 0.00 52.55 51.97 2by2 s ASP 540 Cb 0.02 -0.68 0.00 0.00 -0.30 0.00 0.00 42.92 41.96 2by2 s ASP 540 CO -0.09 -0.33 0.00 0.61 -0.17 0.00 0.00 175.17 175.20 2by2 n GLY 541 N 4.99 3.97 1.18 2.66 0.00 -1.26 -1.41 105.19 115.32 2by2 n GLY 541 Ca -0.08 0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.05 2by2 n GLY 541 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2by2 n ASP 542 N 7.23 3.44 -4.61 1.61 8.00 -1.26 -4.59 116.55 126.37 2by2 n ASP 542 Ca 0.00 -2.13 -0.38 0.00 0.71 0.00 0.00 54.79 52.98 2by2 n ASP 542 Cb 0.00 -0.44 -0.10 0.00 -0.02 0.00 0.00 41.12 40.56 2by2 n ASP 542 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2by2 s VAL 543 N -1.43 5.24 0.10 2.53 1.01 -0.50 -0.86 120.40 126.49 2by2 s VAL 543 Ca 0.40 0.41 -0.20 0.00 0.00 0.00 0.00 61.98 62.59 2by2 s VAL 543 Cb 0.23 -3.63 -0.07 0.00 0.00 0.00 0.00 36.38 32.91 2by2 s VAL 543 CO 0.24 0.21 0.62 -0.22 0.00 0.00 0.00 175.10 175.95 2by2 s LEU 544 N 1.84 4.53 0.03 3.92 2.96 -0.18 -0.91 118.68 130.87 2by2 s LEU 544 Ca 0.12 1.35 0.07 0.00 -0.22 0.00 0.00 54.13 55.44 2by2 s LEU 544 Cb -0.16 -3.03 -0.02 0.00 0.50 0.00 0.00 46.19 43.48 2by2 s LEU 544 CO 0.10 0.24 -0.19 -1.66 -1.32 0.00 0.00 176.35 173.52 2by2 s TRP 545 N -1.15 1.69 -0.10 5.38 1.48 -0.31 -1.05 118.94 124.89 2by2 s TRP 545 Ca 0.31 -0.36 -0.01 0.00 -1.06 0.00 0.00 56.10 54.99 2by2 s TRP 545 Cb -0.20 -1.03 0.03 0.00 -1.16 0.00 0.00 33.47 31.11 2by2 s TRP 545 CO 0.21 0.05 -0.03 0.08 -4.06 0.00 0.00 176.95 173.20 2by2 s VAL 546 N -0.71 0.68 -0.08 -0.66 1.01 0.06 -1.42 120.40 119.28 2by2 s VAL 546 Ca 0.07 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.95 2by2 s VAL 546 Cb -0.08 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 2by2 s VAL 546 CO 0.01 0.27 -0.14 -0.60 0.00 0.00 0.00 175.10 174.64 2by2 s ARG 547 N 1.84 2.89 -0.11 2.72 3.52 0.99 -0.64 118.95 130.16 2by2 s ARG 547 Ca 0.04 -0.69 0.03 0.00 -0.13 0.00 0.00 55.73 54.98 2by2 s ARG 547 Cb -0.13 -2.49 0.01 0.00 -1.56 0.00 0.00 34.95 30.78 2by2 s ARG 547 CO -0.07 0.45 -0.22 0.99 -0.81 0.00 0.00 175.30 175.64 2by2 s THR 548 N -0.26 1.99 -0.11 4.11 2.01 0.26 -0.62 115.64 123.02 2by2 s THR 548 Ca 0.02 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 61.06 2by2 s THR 548 Cb -0.13 -1.74 0.02 0.00 0.01 0.00 0.00 72.50 70.66 2by2 s THR 548 CO 0.03 0.54 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.70 2by2 s VAL 549 N 0.57 1.23 0.24 3.82 1.01 -0.80 -0.93 120.40 125.55 2by2 s VAL 549 Ca -0.14 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.43 2by2 s VAL 549 Cb -0.17 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 2by2 s VAL 549 CO 0.04 0.40 0.11 0.35 0.00 0.00 0.00 175.10 176.00 2by2 n THR 550 N 4.59 0.00 0.24 3.92 -2.24 -0.15 -4.72 114.28 115.91 2by2 n THR 550 Ca -0.16 -1.49 0.15 0.00 -2.27 0.00 0.00 64.05 60.28 2by2 n THR 550 Cb 0.50 0.59 0.75 0.00 -2.10 0.00 0.00 70.33 70.08 2by2 n THR 550 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2by2 h GLY 551 N 1.08 0.00 1.20 3.38 0.00 -2.00 -2.14 103.07 104.59 2by2 h GLY 551 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2by2 h GLY 551 CO 0.28 0.00 -0.33 0.00 0.00 0.00 0.00 176.54 176.49 2by2 n ALA 552 N -1.88 3.16 0.00 3.60 0.00 -1.26 -5.05 120.51 119.08 2by2 n ALA 552 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2by2 n ALA 552 Cb 0.08 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.31 2by2 n ALA 552 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2by2 n GLY 553 N 1.48 0.96 2.92 0.00 0.00 -0.80 -4.80 105.19 104.94 2by2 n GLY 553 Ca 0.07 -1.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.06 2by2 n GLY 553 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2by2 s GLU 554 N -1.92 0.07 0.05 1.61 2.12 -1.26 -0.98 118.70 118.39 2by2 s GLU 554 Ca 0.00 0.18 0.07 0.00 0.36 0.00 0.00 54.97 55.58 2by2 s GLU 554 Cb 0.00 -0.05 -0.03 0.00 0.26 0.00 0.00 34.13 34.31 2by2 s GLU 554 CO 0.00 -0.07 -0.20 1.03 -0.54 0.00 0.00 175.26 175.48 2by2 s ARG 555 N 0.46 1.31 -0.06 4.30 1.81 -0.10 -4.36 118.95 122.32 2by2 s ARG 555 Ca -0.04 -0.95 0.01 0.00 -1.72 0.00 0.00 55.73 53.03 2by2 s ARG 555 Cb -0.05 -1.44 0.02 0.00 -0.45 0.00 0.00 34.95 33.03 2by2 s ARG 555 CO -0.02 0.36 -0.05 0.08 -0.68 0.00 0.00 175.30 175.00 2by2 s VAL 556 N -0.85 0.63 -0.20 3.52 1.01 -0.45 -0.57 120.40 123.48 2by2 s VAL 556 Ca 0.07 -0.14 -0.15 0.00 0.00 0.00 0.00 61.98 61.76 2by2 s VAL 556 Cb -0.09 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 2by2 s VAL 556 CO 0.02 0.26 0.37 -0.22 0.00 0.00 0.00 175.10 175.53 2by2 s LEU 557 N 1.16 4.16 -0.23 3.92 2.96 0.19 -0.91 118.68 129.94 2by2 s LEU 557 Ca -0.07 0.48 0.01 0.00 -0.22 0.00 0.00 54.13 54.34 2by2 s LEU 557 Cb -0.14 -2.47 0.04 0.00 0.50 0.00 0.00 46.19 44.12 2by2 s LEU 557 CO -0.01 -0.05 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.08 2by2 s LEU 558 N 1.20 2.91 -0.23 -0.68 1.43 -0.08 -0.76 118.68 122.47 2by2 s LEU 558 Ca 0.18 -1.00 -0.01 0.00 -1.03 0.00 0.00 54.13 52.27 2by2 s LEU 558 Cb -0.14 -1.55 0.02 0.00 0.03 0.00 0.00 46.19 44.54 2by2 s LEU 558 CO 0.07 -0.11 -0.09 0.86 0.23 0.00 0.00 176.35 177.31 2by2 s TRP 559 N 1.22 3.00 -0.69 0.29 -0.00 -0.21 -1.53 118.94 121.02 2by2 s TRP 559 Ca -0.02 -1.53 -0.25 0.00 -0.00 0.00 0.00 56.10 54.31 2by2 s TRP 559 Cb -0.17 -2.03 0.05 0.00 -0.00 0.00 0.00 33.47 31.33 2by2 s TRP 559 CO -0.08 -0.73 1.10 1.21 -0.00 0.00 0.00 176.95 178.46 2by2 s ASN 560 N 1.33 6.18 0.16 5.86 2.47 0.08 -1.01 114.94 130.00 2by2 s ASN 560 Ca 0.02 -0.70 0.26 0.00 0.42 0.00 0.00 52.86 52.85 2by2 s ASN 560 Cb -0.16 -2.48 0.92 0.00 -1.45 0.00 0.00 41.25 38.09 2by2 s ASN 560 CO -0.06 -1.60 1.79 0.18 -3.72 0.00 0.00 177.10 173.69 2by2 n LEU 561 N 8.43 0.57 0.00 3.21 7.99 -0.04 0.01 117.00 137.17 2by2 n LEU 561 Ca -0.00 0.57 -0.30 0.00 -0.01 0.00 0.00 56.01 56.26 2by2 n LEU 561 Cb 0.47 -0.40 0.25 0.00 -0.11 0.00 0.00 43.42 43.63 2by2 n LEU 561 CO 0.67 -0.19 0.64 0.61 -1.51 0.00 0.00 177.39 177.61 2by2 n GLY 562 N 1.13 -2.64 0.19 -0.72 0.00 -1.24 -4.68 105.19 97.23 2by2 n GLY 562 Ca 0.05 -1.52 0.09 0.00 0.00 0.00 0.00 46.02 44.65 2by2 n GLY 562 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2by2 n GLN 563 N -4.75 0.99 -3.52 1.61 1.13 -1.26 -3.49 117.38 108.09 2by2 n GLN 563 Ca 0.15 -0.39 -0.23 0.00 -1.94 0.00 0.00 57.00 54.59 2by2 n GLN 563 Cb 0.59 -1.40 0.01 0.00 0.11 0.00 0.00 30.24 29.55 2by2 n GLN 563 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 2by2 n ASP 564 N -0.87 2.52 -4.81 1.08 5.75 -1.26 -4.69 116.55 114.27 2by2 n ASP 564 Ca 0.06 -2.68 -0.37 0.00 -0.01 0.00 0.00 54.79 51.78 2by2 n ASP 564 Cb 0.35 -0.07 -0.06 0.00 -1.03 0.00 0.00 41.12 40.30 2by2 n ASP 564 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2by2 s THR 565 N -2.45 5.22 -0.09 2.12 2.01 -1.26 -2.89 115.64 118.29 2by2 s THR 565 Ca 0.31 0.63 0.02 0.00 0.31 0.00 0.00 61.69 62.96 2by2 s THR 565 Cb -0.02 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 68.87 2by2 s THR 565 CO 0.20 0.53 -0.13 -0.13 -0.69 0.00 0.00 174.62 174.40 2by2 s ARG 566 N -0.59 1.88 0.20 4.92 1.81 0.08 -4.97 118.95 122.28 2by2 s ARG 566 Ca 0.20 -0.45 -0.30 0.00 -1.72 0.00 0.00 55.73 53.46 2by2 s ARG 566 Cb -0.15 -1.62 -0.08 0.00 -0.45 0.00 0.00 34.95 32.65 2by2 s ARG 566 CO 0.09 -0.05 0.98 0.00 -0.68 0.00 0.00 175.30 175.63 2by2 s ALA 567 N 0.94 3.32 0.38 2.13 0.00 -1.26 -0.17 121.76 127.10 2by2 s ALA 567 Ca -0.09 0.65 0.07 0.00 0.00 0.00 0.00 51.96 52.60 2by2 s ALA 567 Cb -0.15 -3.25 0.81 0.00 0.00 0.00 0.00 23.12 20.52 2by2 s ALA 567 CO 0.00 0.07 1.98 0.28 0.00 0.00 0.00 175.76 178.09 2by2 h VAL 568 N 3.44 1.02 0.00 0.00 2.07 -1.49 -1.27 116.25 120.02 2by2 h VAL 568 Ca -0.45 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 2by2 h VAL 568 Cb 1.21 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2by2 h VAL 568 CO 0.69 0.12 -0.02 0.00 0.02 0.00 0.00 177.57 178.38 2by2 h ALA 569 N 1.64 1.03 -0.02 1.67 0.00 -1.93 -2.15 119.26 119.50 2by2 h ALA 569 Ca 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2by2 h ALA 569 Cb 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2by2 h ALA 569 CO -0.09 0.03 -0.00 0.39 0.00 0.00 0.00 179.25 179.58 2by2 n GLU 570 N -3.15 2.09 -2.55 0.00 1.02 -0.48 -4.88 120.64 112.69 2by2 n GLU 570 Ca -0.01 -1.59 -0.42 0.00 -0.02 0.00 0.00 57.16 55.12 2by2 n GLU 570 Cb 0.23 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.16 2by2 n GLU 570 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2by2 s VAL 571 N -2.00 4.45 -0.22 2.62 1.01 -0.81 -4.99 120.40 120.45 2by2 s VAL 571 Ca 0.31 1.75 -0.29 0.00 0.00 0.00 0.00 61.98 63.76 2by2 s VAL 571 Cb 0.20 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.47 2by2 s VAL 571 CO 0.31 0.02 1.04 -0.54 0.00 0.00 0.00 175.10 175.93 2by2 s LYS 572 N 2.01 4.27 0.05 2.72 1.02 -1.26 -5.03 119.74 123.52 2by2 s LYS 572 Ca 0.53 1.36 0.05 0.00 0.02 0.00 0.00 55.97 57.93 2by2 s LYS 572 Cb -0.23 -3.63 -0.02 0.00 -0.52 0.00 0.00 37.83 33.42 2by2 s LYS 572 CO 0.21 -0.61 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.37 2by2 s LEU 573 N 3.13 2.21 0.00 3.17 1.43 -1.26 -4.64 118.68 122.72 2by2 s LEU 573 Ca 0.44 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 2by2 s LEU 573 Cb -0.15 -0.63 0.00 0.00 0.03 0.00 0.00 46.19 45.44 2by2 s LEU 573 CO 0.07 0.02 0.76 -0.81 0.23 0.00 0.00 176.35 176.61 2by2 n PRO 574 N 1.66 0.98 -4.02 1.29 -0.04 -1.26 -4.79 135.00 128.81 2by2 n PRO 574 Ca -0.19 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.18 2by2 n PRO 574 Cb 0.54 -1.22 -0.06 0.00 -0.04 0.00 0.00 33.50 32.73 2by2 n PRO 574 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2by2 s PHE 575 N -1.55 0.47 -0.16 0.54 -0.12 -1.26 -5.13 117.98 110.77 2by2 s PHE 575 Ca 0.00 -0.82 -0.27 0.00 -0.05 0.00 0.00 56.93 55.79 2by2 s PHE 575 Cb 0.00 0.10 -0.01 0.00 -0.63 0.00 0.00 43.02 42.48 2by2 s PHE 575 CO 0.00 -0.96 0.91 0.99 -0.05 0.00 0.00 175.22 176.11 2by2 s THR 576 N -3.99 4.82 0.23 -4.49 2.01 -1.26 -5.00 115.64 107.96 2by2 s THR 576 Ca 0.25 1.81 -0.31 0.00 0.31 0.00 0.00 61.69 63.74 2by2 s THR 576 Cb 0.00 -4.21 -0.11 0.00 0.01 0.00 0.00 72.50 68.19 2by2 s THR 576 CO 0.10 -0.01 1.58 0.54 -0.69 0.00 0.00 174.62 176.13 2by2 s VAL 577 N 2.28 2.34 0.70 3.82 0.11 -1.26 -4.98 120.40 123.42 2by2 s VAL 577 Ca 0.42 0.27 -0.16 0.00 -2.93 0.00 0.00 61.98 59.57 2by2 s VAL 577 Cb -0.17 -3.17 0.00 0.00 -1.53 0.00 0.00 36.38 31.51 2by2 s VAL 577 CO 0.13 0.03 1.02 -2.65 -3.33 0.00 0.00 175.10 170.30 2by2 n PRO 578 N 3.02 0.62 -0.02 1.54 -0.02 -1.26 -4.98 135.00 133.90 2by2 n PRO 578 Ca 0.11 0.27 0.02 0.00 -2.02 0.00 0.00 63.50 61.87 2by2 n PRO 578 Cb 0.38 -2.27 -0.14 0.00 -0.02 0.00 0.00 33.50 31.45 2by2 n PRO 578 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2by2 n ARG 579 N -1.83 0.66 -3.23 -0.52 1.74 -1.20 -4.64 116.66 107.64 2by2 n ARG 579 Ca 0.14 -0.04 -0.39 0.00 -0.77 0.00 0.00 57.85 56.79 2by2 n ARG 579 Cb 0.49 -1.59 -0.06 0.00 -1.02 0.00 0.00 32.46 30.27 2by2 n ARG 579 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2by2 s ARG 580 N -3.06 4.23 -0.05 5.56 3.52 -0.30 -4.91 118.95 123.94 2by2 s ARG 580 Ca -0.07 0.47 -0.30 0.00 -0.13 0.00 0.00 55.73 55.70 2by2 s ARG 580 Cb 0.10 -3.54 -0.05 0.00 -1.56 0.00 0.00 34.95 29.90 2by2 s ARG 580 CO 0.86 -0.10 1.50 -1.17 -0.81 0.00 0.00 175.30 175.57 2by2 s LEU 581 N 1.48 4.29 -0.18 -0.88 1.98 -1.26 -0.81 118.68 123.30 2by2 s LEU 581 Ca 0.26 2.10 0.04 0.00 -2.89 0.00 0.00 54.13 53.64 2by2 s LEU 581 Cb -0.16 -3.54 -0.14 0.00 0.66 0.00 0.00 46.19 43.02 2by2 s LEU 581 CO 0.10 -0.83 -0.12 0.18 -1.89 0.00 0.00 176.35 173.79 2by2 n LEU 582 N 6.43 2.35 -3.66 -0.68 4.77 0.07 -4.94 117.00 121.35 2by2 n LEU 582 Ca 0.15 -0.08 -0.13 0.00 -0.03 0.00 0.00 56.01 55.92 2by2 n LEU 582 Cb 0.43 -0.44 -0.08 0.00 -2.33 0.00 0.00 43.42 41.00 2by2 n LEU 582 CO 0.60 0.72 0.32 -0.22 -1.33 0.00 0.00 177.39 177.48 2by2 s LEU 583 N -5.88 -0.41 -0.06 2.23 0.20 -0.98 -4.99 118.68 108.79 2by2 s LEU 583 Ca -0.21 1.27 0.04 0.00 0.69 0.00 0.00 54.13 55.91 2by2 s LEU 583 Cb 0.06 2.15 0.00 0.00 -0.43 0.00 0.00 46.19 47.97 2by2 s LEU 583 CO 0.47 -0.22 -0.18 -2.28 -0.29 0.00 0.00 176.35 173.86 2by2 s HIS 584 N 0.40 1.86 0.08 5.38 5.65 -1.26 -0.57 115.29 126.82 2by2 s HIS 584 Ca -0.01 -0.64 0.32 0.00 0.25 0.00 0.00 55.06 54.99 2by2 s HIS 584 Cb -0.04 -1.27 1.54 0.00 -1.18 0.00 0.00 32.58 31.63 2by2 s HIS 584 CO -0.00 -0.26 1.98 1.79 -0.65 0.00 0.00 174.74 177.60 2by2 h THR 585 N 5.56 0.00 -0.19 0.89 1.35 -1.35 -0.63 112.91 118.54 2by2 h THR 585 Ca -0.29 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 2by2 h THR 585 Cb 1.19 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 2by2 h THR 585 CO 0.47 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.12 2by2 n GLU 586 N -2.76 2.56 -1.59 4.72 -0.58 -1.26 -4.96 120.64 116.77 2by2 n GLU 586 Ca -0.00 -2.43 -0.12 0.00 -0.42 0.00 0.00 57.16 54.19 2by2 n GLU 586 Cb 0.18 -1.52 -0.04 0.00 -0.57 0.00 0.00 31.44 29.49 2by2 n GLU 586 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2by2 n GLY 587 N -0.48 0.88 3.79 0.62 0.00 -0.24 -4.98 105.19 104.79 2by2 n GLY 587 Ca 0.15 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 2by2 n GLY 587 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2by2 s ARG 588 N -3.44 3.20 0.00 1.61 0.52 -1.26 -4.97 118.95 114.60 2by2 s ARG 588 Ca 0.00 1.30 0.07 0.00 -0.52 0.00 0.00 55.73 56.58 2by2 s ARG 588 Cb 0.00 -2.01 -0.24 0.00 0.52 0.00 0.00 34.95 33.22 2by2 s ARG 588 CO 0.00 -0.92 0.84 0.93 0.02 0.00 0.00 175.30 176.17 2by2 h GLU 589 N 0.44 0.07 -6.20 3.54 5.08 -1.97 -3.44 114.58 112.10 2by2 h GLU 589 Ca -0.47 -0.11 -0.48 0.00 -1.00 0.00 0.00 59.36 57.29 2by2 h GLU 589 Cb 1.23 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 2by2 h GLU 589 CO 0.56 0.79 -0.41 -0.51 -1.00 0.00 0.00 179.01 178.45 2by2 s ASP 590 N -6.49 6.33 -1.38 1.42 1.01 -1.26 -5.01 116.67 111.29 2by2 s ASP 590 Ca -0.05 0.15 -0.15 0.00 0.71 0.00 0.00 52.55 53.21 2by2 s ASP 590 Cb 0.08 -1.90 0.07 0.00 1.01 0.00 0.00 42.92 42.18 2by2 s ASP 590 CO 0.83 -0.07 1.99 0.18 0.21 0.00 0.00 175.17 178.31 2by2 n LEU 591 N -1.22 6.11 -3.71 1.23 4.77 -1.26 -4.85 117.00 118.07 2by2 n LEU 591 Ca -0.08 -4.12 -0.16 0.00 -0.03 0.00 0.00 56.01 51.62 2by2 n LEU 591 Cb 0.56 -1.67 -0.16 0.00 -2.33 0.00 0.00 43.42 39.82 2by2 n LEU 591 CO 0.46 0.78 -0.27 -0.89 -1.33 0.00 0.00 177.39 176.14 2by2 s THR 592 N 3.25 -0.14 -0.38 -5.08 2.01 -1.26 -1.10 115.64 112.93 2by2 s THR 592 Ca 0.49 0.30 -0.08 0.00 0.31 0.00 0.00 61.69 62.71 2by2 s THR 592 Cb 0.09 -0.22 0.06 0.00 0.01 0.00 0.00 72.50 72.45 2by2 s THR 592 CO -0.02 0.12 0.19 -0.76 -0.69 0.00 0.00 174.62 173.47 2by2 s LEU 593 N 1.74 4.82 1.11 4.42 1.43 0.76 -4.97 118.68 127.99 2by2 s LEU 593 Ca -0.02 -1.38 -0.12 0.00 -1.03 0.00 0.00 54.13 51.58 2by2 s LEU 593 Cb -0.12 -1.93 0.25 0.00 0.03 0.00 0.00 46.19 44.42 2by2 s LEU 593 CO -0.05 -0.45 1.05 -0.83 0.23 0.00 0.00 176.35 176.30 2by2 s GLY 594 N 1.79 1.57 -0.05 -3.19 0.00 -1.26 -0.74 107.32 105.44 2by2 s GLY 594 Ca 0.02 0.02 -0.36 0.00 0.00 0.00 0.00 44.72 44.39 2by2 s GLY 594 CO 0.02 0.67 1.68 0.00 0.00 0.00 0.00 173.10 175.47 2by2 n ALA 595 N -4.77 0.36 -0.12 3.20 0.00 -1.14 -1.56 120.51 116.47 2by2 n ALA 595 Ca 0.05 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2by2 n ALA 595 Cb 0.54 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.67 2by2 n ALA 595 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2by2 n GLY 596 N 3.79 1.27 3.91 0.00 0.00 0.10 -4.70 105.19 109.56 2by2 n GLY 596 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 2by2 n GLY 596 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2by2 s GLU 597 N -0.52 3.61 0.13 1.61 2.02 -0.60 -3.81 118.70 121.13 2by2 s GLU 597 Ca 0.00 0.09 0.04 0.00 0.02 0.00 0.00 54.97 55.12 2by2 s GLU 597 Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 34.13 31.66 2by2 s GLU 597 CO 0.00 0.04 -0.10 0.00 0.02 0.00 0.00 175.26 175.23 2by2 s ALA 598 N -2.35 1.32 -0.02 5.21 0.00 -1.26 -0.74 121.76 123.91 2by2 s ALA 598 Ca 0.46 -1.41 -0.04 0.00 0.00 0.00 0.00 51.96 50.97 2by2 s ALA 598 Cb -0.10 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.08 2by2 s ALA 598 CO 0.35 -0.10 0.09 0.54 0.00 0.00 0.00 175.76 176.63 2by2 s VAL 599 N -3.19 0.04 -0.18 0.00 0.11 -0.58 -0.80 120.40 115.80 2by2 s VAL 599 Ca 0.14 -0.33 -0.04 0.00 -2.93 0.00 0.00 61.98 58.82 2by2 s VAL 599 Cb 0.02 -0.24 -0.02 0.00 -1.53 0.00 0.00 36.38 34.61 2by2 s VAL 599 CO -0.00 -0.18 -0.03 -0.22 -3.33 0.00 0.00 175.10 171.33 2by2 s LEU 600 N -0.57 3.17 0.27 2.54 2.96 0.27 -0.90 118.68 126.41 2by2 s LEU 600 Ca -0.06 -0.21 0.12 0.00 -0.22 0.00 0.00 54.13 53.75 2by2 s LEU 600 Cb -0.04 -1.78 -0.05 0.00 0.50 0.00 0.00 46.19 44.82 2by2 s LEU 600 CO 0.00 0.10 -0.20 0.68 -1.32 0.00 0.00 176.35 175.62 2by2 s VAL 601 N 0.75 2.39 0.00 1.68 -7.23 -0.08 -0.75 120.40 117.16 2by2 s VAL 601 Ca -0.01 -2.36 0.00 0.00 -1.81 0.00 0.00 61.98 57.80 2by2 s VAL 601 Cb -0.14 -2.26 0.00 0.00 0.56 0.00 0.00 36.38 34.54 2by2 s VAL 601 CO 0.02 -0.40 0.00 0.61 -0.31 0.00 0.00 175.10 175.02