#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s3b s LYS 4 N 0.00 3.77 0.34 1.20 1.02 -1.26 0.73 119.74 125.55 1s3b s LYS 4 Ca 0.00 -0.29 -0.05 0.00 0.02 0.00 0.00 55.97 55.65 1s3b s LYS 4 Cb 0.00 -3.18 0.02 0.00 -0.52 0.00 0.00 37.83 34.15 1s3b s LYS 4 CO 0.00 0.43 0.54 0.00 -0.92 0.00 0.00 175.35 175.40 1s3b h ASP 6 N 1.87 0.00 -3.50 0.00 3.32 -1.19 -3.30 116.42 113.62 1s3b h ASP 6 Ca -0.27 -0.91 -0.42 0.00 0.02 0.00 0.00 57.03 55.44 1s3b h ASP 6 Cb 1.14 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.36 1s3b h ASP 6 CO 0.36 1.04 -0.78 -0.69 -1.72 0.00 0.00 179.24 177.46 1s3b s VAL 7 N -2.22 0.63 -0.20 -1.35 1.01 -0.98 -0.80 120.40 116.49 1s3b s VAL 7 Ca -0.20 -0.20 -0.13 0.00 0.00 0.00 0.00 61.98 61.45 1s3b s VAL 7 Cb -0.02 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 1s3b s VAL 7 CO 0.66 0.24 0.29 -0.69 0.00 0.00 0.00 175.10 175.59 1s3b s VAL 8 N 0.77 5.29 -0.24 2.92 1.01 -0.78 -1.80 120.40 127.57 1s3b s VAL 8 Ca -0.11 0.48 -0.09 0.00 0.00 0.00 0.00 61.98 62.27 1s3b s VAL 8 Cb -0.14 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1s3b s VAL 8 CO 0.01 0.33 0.11 -0.69 0.00 0.00 0.00 175.10 174.85 1s3b s VAL 9 N 0.96 4.74 -0.36 2.92 1.01 0.44 -0.89 120.40 129.22 1s3b s VAL 9 Ca 0.14 -0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.92 1s3b s VAL 9 Cb -0.14 -3.21 -0.00 0.00 0.00 0.00 0.00 36.38 33.03 1s3b s VAL 9 CO 0.05 0.34 0.46 -0.69 0.00 0.00 0.00 175.10 175.27 1s3b s VAL 10 N 1.36 5.06 0.00 2.92 1.01 0.59 -0.70 120.40 130.64 1s3b s VAL 10 Ca 0.06 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1s3b s VAL 10 Cb -0.15 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1s3b s VAL 10 CO 0.05 -0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.54 1s3b n GLY 11 N 4.89 2.22 1.96 4.51 0.00 0.03 -0.50 105.19 118.31 1s3b n GLY 11 Ca -0.06 -1.27 -0.24 0.00 0.00 0.00 0.00 46.02 44.45 1s3b n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s3b n GLY 12 N 2.05 5.94 1.11 -0.02 0.00 -1.26 -4.03 105.19 108.99 1s3b n GLY 12 Ca 0.00 -2.27 -0.09 0.00 0.00 0.00 0.00 46.02 43.66 1s3b n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s3b n GLY 13 N -0.86 -1.40 0.37 -0.02 0.00 -1.26 -1.25 105.19 100.77 1s3b n GLY 13 Ca 0.48 -1.65 0.04 0.00 0.00 0.00 0.00 46.02 44.89 1s3b n GLY 13 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1s3b h ILE 14 N -1.30 1.05 -0.07 -0.61 2.04 -1.94 -0.87 117.51 115.80 1s3b h ILE 14 Ca -0.12 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 1s3b h ILE 14 Cb 0.35 -0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.25 1s3b h ILE 14 CO 0.09 0.21 0.02 -1.28 0.00 0.00 0.00 178.15 177.18 1s3b h SER 15 N 1.13 0.11 -0.63 1.72 0.87 -1.91 0.32 113.55 115.16 1s3b h SER 15 Ca 0.44 -0.23 -0.04 0.00 -1.23 0.00 0.00 61.79 60.74 1s3b h SER 15 Cb 0.24 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.14 1s3b h SER 15 CO -0.19 0.31 0.26 1.23 -0.53 0.00 0.00 176.83 177.90 1s3b h GLY 16 N -0.10 1.01 0.99 5.77 0.00 -1.64 -1.28 103.07 107.82 1s3b h GLY 16 Ca 0.02 -0.55 -0.07 0.00 0.00 0.00 0.00 47.33 46.74 1s3b h GLY 16 CO 0.00 0.51 0.03 -0.33 0.00 0.00 0.00 176.54 176.76 1s3b h MET 17 N 0.88 0.83 -0.74 4.80 2.07 -1.10 0.13 114.93 121.81 1s3b h MET 17 Ca 0.21 -0.25 -0.03 0.00 -2.07 0.00 0.00 59.70 57.56 1s3b h MET 17 Cb 0.20 -0.08 -0.03 0.00 -1.87 0.00 0.00 31.60 29.81 1s3b h MET 17 CO -0.02 0.86 0.34 0.00 1.07 0.00 0.00 176.91 179.16 1s3b h ALA 18 N 0.94 0.95 -0.24 6.32 0.00 -0.78 0.65 119.26 127.10 1s3b h ALA 18 Ca 0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1s3b h ALA 18 Cb 0.46 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1s3b h ALA 18 CO 0.02 0.53 0.07 0.00 0.00 0.00 0.00 179.25 179.87 1s3b h ALA 19 N 1.17 0.31 -0.73 0.00 0.00 -1.06 -2.18 119.26 116.77 1s3b h ALA 19 Ca 0.25 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1s3b h ALA 19 Cb 0.15 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1s3b h ALA 19 CO -0.03 -0.05 0.24 0.00 0.00 0.00 0.00 179.25 179.42 1s3b h ALA 20 N 0.89 0.96 -0.31 0.00 0.00 -0.71 -1.80 119.26 118.29 1s3b h ALA 20 Ca 0.08 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1s3b h ALA 20 Cb 0.25 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1s3b h ALA 20 CO -0.00 0.62 0.19 -0.22 0.00 0.00 0.00 179.25 179.84 1s3b h LYS 21 N 1.08 0.42 -0.52 0.00 3.64 -0.81 0.76 116.57 121.13 1s3b h LYS 21 Ca 0.24 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1s3b h LYS 21 Cb 0.29 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 1s3b h LYS 21 CO -0.01 0.31 0.35 1.25 -2.27 0.00 0.00 179.45 179.08 1s3b h LEU 22 N 0.40 0.60 -0.38 5.20 6.46 -1.13 0.98 115.31 127.43 1s3b h LEU 22 Ca 0.11 -0.01 -0.12 0.00 -0.12 0.00 0.00 57.88 57.73 1s3b h LEU 22 Cb -0.00 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 39.77 1s3b h LEU 22 CO -0.02 0.43 -0.24 -0.07 -0.62 0.00 0.00 178.44 177.92 1s3b h LEU 23 N 0.71 0.88 -0.49 2.25 3.38 -1.18 -1.59 115.31 119.26 1s3b h LEU 23 Ca 0.19 -0.43 0.01 0.00 0.09 0.00 0.00 57.88 57.74 1s3b h LEU 23 Cb -0.08 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 1s3b h LEU 23 CO -0.04 1.11 0.32 -0.74 0.09 0.00 0.00 178.44 179.18 1s3b h HIS 24 N 0.65 0.61 0.00 1.13 2.76 -0.65 -1.64 115.15 118.01 1s3b h HIS 24 Ca 0.08 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.24 1s3b h HIS 24 Cb 0.81 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 29.56 1s3b h HIS 24 CO 0.06 0.38 -0.13 -0.44 -1.30 0.00 0.00 177.93 176.51 1s3b h ASP 25 N 0.66 0.00 0.35 3.26 3.32 -0.65 -2.04 116.42 121.31 1s3b h ASP 25 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1s3b h ASP 25 Cb -0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1s3b h ASP 25 CO -0.04 0.13 -0.15 -1.20 -1.72 0.00 0.00 179.24 176.25 1s3b n SER 26 N -3.52 0.60 0.00 6.45 7.64 -0.61 -4.93 113.62 119.26 1s3b n SER 26 Ca -0.01 -0.62 0.00 0.00 1.01 0.00 0.00 58.87 59.25 1s3b n SER 26 Cb 0.27 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1s3b n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s3b n GLY 27 N 1.31 0.85 3.87 0.23 0.00 -0.77 -5.07 105.19 105.60 1s3b n GLY 27 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1s3b n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s3b s LEU 28 N 0.00 4.06 -0.36 0.99 1.43 -0.67 -5.02 118.68 119.12 1s3b s LEU 28 Ca 0.00 1.07 -0.25 0.00 -1.03 0.00 0.00 54.13 53.92 1s3b s LEU 28 Cb 0.00 -3.87 0.01 0.00 0.03 0.00 0.00 46.19 42.36 1s3b s LEU 28 CO 0.00 -0.19 0.89 0.20 0.23 0.00 0.00 176.35 177.47 1s3b s ASN 29 N -2.55 6.67 0.11 2.29 0.01 -1.26 -4.18 114.94 116.02 1s3b s ASN 29 Ca 0.50 0.57 0.10 0.00 -0.71 0.00 0.00 52.86 53.32 1s3b s ASN 29 Cb -0.11 -2.45 -0.04 0.00 0.41 0.00 0.00 41.25 39.07 1s3b s ASN 29 CO 0.22 -0.80 -0.24 0.68 -1.51 0.00 0.00 177.10 175.46 1s3b s VAL 30 N 3.33 2.44 -0.03 1.60 -7.23 -1.26 -0.71 120.40 118.54 1s3b s VAL 30 Ca 0.36 -1.60 0.04 0.00 -1.81 0.00 0.00 61.98 58.97 1s3b s VAL 30 Cb -0.13 -2.07 -0.00 0.00 0.56 0.00 0.00 36.38 34.74 1s3b s VAL 30 CO 0.17 0.15 -0.14 -0.69 -0.31 0.00 0.00 175.10 174.28 1s3b s VAL 31 N -1.04 1.18 -0.22 1.32 1.01 -0.74 -4.79 120.40 117.11 1s3b s VAL 31 Ca 0.15 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.49 1s3b s VAL 31 Cb -0.10 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 1s3b s VAL 31 CO 0.07 0.35 0.02 -0.69 0.00 0.00 0.00 175.10 174.84 1s3b s VAL 32 N 0.05 3.99 -0.33 2.92 1.01 -0.10 -0.42 120.40 127.53 1s3b s VAL 32 Ca -0.03 -0.29 -0.10 0.00 0.00 0.00 0.00 61.98 61.57 1s3b s VAL 32 Cb -0.10 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.45 1s3b s VAL 32 CO 0.01 0.39 0.17 -0.76 0.00 0.00 0.00 175.10 174.91 1s3b s LEU 33 N 1.33 4.27 -0.14 3.92 1.43 0.12 -0.28 118.68 129.34 1s3b s LEU 33 Ca 0.04 -0.64 0.01 0.00 -1.03 0.00 0.00 54.13 52.51 1s3b s LEU 33 Cb -0.15 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 44.06 1s3b s LEU 33 CO 0.01 -0.24 -0.16 -0.70 0.23 0.00 0.00 176.35 175.49 1s3b s GLU 34 N 1.60 3.25 0.23 1.70 2.56 -0.29 -0.79 118.70 126.96 1s3b s GLU 34 Ca 0.04 -0.75 -0.05 0.00 0.00 0.00 0.00 54.97 54.21 1s3b s GLU 34 Cb -0.18 -2.57 0.23 0.00 2.00 0.00 0.00 34.13 33.61 1s3b s GLU 34 CO 0.06 0.12 1.74 0.00 -0.56 0.00 0.00 175.26 176.62 1s3b h ALA 35 N 6.98 1.02 -2.23 6.30 0.00 -1.85 0.20 119.26 129.69 1s3b h ALA 35 Ca -0.28 -0.26 -0.46 0.00 0.00 0.00 0.00 54.91 53.92 1s3b h ALA 35 Cb 1.21 -0.23 0.09 0.00 0.00 0.00 0.00 17.79 18.86 1s3b h ALA 35 CO 0.55 0.62 0.26 1.03 0.00 0.00 0.00 179.25 181.71 1s3b s ARG 36 N -5.14 1.95 -0.01 0.00 0.52 -1.26 -3.79 118.95 111.22 1s3b s ARG 36 Ca -0.11 -0.30 0.02 0.00 -0.52 0.00 0.00 55.73 54.82 1s3b s ARG 36 Cb 0.15 -2.12 0.08 0.00 0.52 0.00 0.00 34.95 33.58 1s3b s ARG 36 CO 0.83 -1.43 0.85 -0.40 0.02 0.00 0.00 175.30 175.17 1s3b n ASP 37 N -3.06 0.98 -3.73 0.23 5.75 -1.26 -0.64 116.55 114.82 1s3b n ASP 37 Ca 0.09 -2.05 -0.10 0.00 -0.01 0.00 0.00 54.79 52.73 1s3b n ASP 37 Cb 0.60 -0.29 -0.06 0.00 -1.03 0.00 0.00 41.12 40.35 1s3b n ASP 37 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1s3b s ARG 38 N -1.54 0.97 0.58 0.11 1.70 -1.26 -4.93 118.95 114.58 1s3b s ARG 38 Ca 0.06 -0.81 0.02 0.00 -0.47 0.00 0.00 55.73 54.53 1s3b s ARG 38 Cb 0.04 0.41 0.06 0.00 -0.57 0.00 0.00 34.95 34.89 1s3b s ARG 38 CO 0.03 -0.35 0.81 0.14 -1.08 0.00 0.00 175.30 174.85 1s3b s VAL 39 N -3.80 2.52 0.00 4.99 -7.23 -1.26 -4.74 120.40 110.88 1s3b s VAL 39 Ca 0.04 -0.70 0.00 0.00 -1.81 0.00 0.00 61.98 59.50 1s3b s VAL 39 Cb 0.03 -2.82 0.00 0.00 0.56 0.00 0.00 36.38 34.15 1s3b s VAL 39 CO -0.11 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.29 1s3b n GLY 40 N -2.41 1.53 7.00 2.32 0.00 -0.38 -4.90 105.19 108.34 1s3b n GLY 40 Ca 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1s3b n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s3b n GLY 41 N 0.00 1.98 0.00 -0.02 0.00 -1.26 -0.88 105.19 105.01 1s3b n GLY 41 Ca 0.00 0.39 0.15 0.00 0.00 0.00 0.00 46.02 46.56 1s3b n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s3b n ARG 42 N 3.10 0.83 -4.09 1.61 1.74 -1.26 -4.53 116.66 114.06 1s3b n ARG 42 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 1s3b n ARG 42 Cb 0.00 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 29.87 1s3b n ARG 42 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1s3b s THR 43 N -2.13 4.97 -0.25 0.55 -4.23 -0.06 -1.32 115.64 113.17 1s3b s THR 43 Ca 0.42 -0.03 -0.08 0.00 -1.18 0.00 0.00 61.69 60.82 1s3b s THR 43 Cb 0.21 -3.15 0.11 0.00 1.34 0.00 0.00 72.50 71.01 1s3b s THR 43 CO 0.38 0.59 0.53 -0.47 -0.54 0.00 0.00 174.62 175.10 1s3b s TYR 44 N -0.99 -1.08 -0.27 3.99 5.04 -1.26 -4.52 117.35 118.26 1s3b s TYR 44 Ca 0.15 1.86 -0.07 0.00 -2.44 0.00 0.00 57.07 56.57 1s3b s TYR 44 Cb -0.12 0.52 -0.01 0.00 0.35 0.00 0.00 41.96 42.71 1s3b s TYR 44 CO 0.04 -0.59 0.07 0.99 -1.34 0.00 0.00 175.55 174.72 1s3b s THR 45 N 2.75 4.06 -0.00 4.34 2.01 -1.26 -0.63 115.64 126.90 1s3b s THR 45 Ca -0.02 -0.49 -0.19 0.00 0.31 0.00 0.00 61.69 61.29 1s3b s THR 45 Cb -0.12 -3.01 -0.05 0.00 0.01 0.00 0.00 72.50 69.33 1s3b s THR 45 CO -0.16 0.19 0.56 -0.22 -0.69 0.00 0.00 174.62 174.30 1s3b s LEU 46 N 1.54 4.43 -0.11 4.42 2.96 -0.13 -4.89 118.68 126.91 1s3b s LEU 46 Ca 0.04 1.12 0.03 0.00 -0.22 0.00 0.00 54.13 55.11 1s3b s LEU 46 Cb -0.16 -2.86 -0.00 0.00 0.50 0.00 0.00 46.19 43.66 1s3b s LEU 46 CO 0.02 0.14 -0.22 -0.13 -1.32 0.00 0.00 176.35 174.85 1s3b s ARG 47 N -0.35 3.10 0.32 1.98 3.00 -1.26 -0.83 118.95 124.91 1s3b s ARG 47 Ca 0.29 -0.85 -0.15 0.00 0.00 0.00 0.00 55.73 55.03 1s3b s ARG 47 Cb -0.18 -2.37 0.03 0.00 0.00 0.00 0.00 34.95 32.43 1s3b s ARG 47 CO 0.16 0.17 0.67 0.54 0.00 0.00 0.00 175.30 176.85 1s3b s ASN 48 N 0.38 0.01 0.32 0.23 2.20 -1.13 -5.01 114.94 111.94 1s3b s ASN 48 Ca -0.17 -0.97 0.01 0.00 -0.94 0.00 0.00 52.86 50.80 1s3b s ASN 48 Cb -0.17 0.74 0.55 0.00 -2.00 0.00 0.00 41.25 40.36 1s3b s ASN 48 CO 0.08 -1.43 1.91 1.56 -2.94 0.00 0.00 177.10 176.28 1s3b h GLN 49 N 2.06 0.76 0.00 3.55 1.08 -2.00 0.92 115.11 121.49 1s3b h GLN 49 Ca -0.26 -0.11 -0.15 0.00 -1.45 0.00 0.00 58.65 56.68 1s3b h GLN 49 Cb 1.25 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 28.52 1s3b h GLN 49 CO 0.34 0.62 -0.70 0.87 -0.95 0.00 0.00 178.83 179.01 1s3b h LYS 50 N 0.76 0.00 0.00 1.46 1.79 -2.01 -3.32 116.57 115.24 1s3b h LYS 50 Ca 0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 1s3b h LYS 50 Cb 0.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1s3b h LYS 50 CO -0.02 0.70 -0.78 1.33 -1.08 0.00 0.00 179.45 179.60 1s3b n VAL 51 N -3.70 0.00 0.00 0.50 0.24 -1.16 -4.97 118.33 109.24 1s3b n VAL 51 Ca -0.01 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 1s3b n VAL 51 Cb 0.68 0.69 0.00 0.00 -1.47 0.00 0.00 33.84 33.75 1s3b n VAL 51 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1s3b n LYS 52 N -1.43 0.00 -3.91 7.34 4.81 0.31 -4.61 118.16 120.66 1s3b n LYS 52 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 1s3b n LYS 52 Cb 0.14 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.09 1s3b n LYS 52 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 1s3b s TYR 53 N 0.00 0.14 -0.14 5.64 -0.85 -1.26 -2.84 117.35 118.03 1s3b s TYR 53 Ca 0.00 -0.33 -0.09 0.00 -0.52 0.00 0.00 57.07 56.12 1s3b s TYR 53 Cb 0.00 -0.11 0.05 0.00 0.38 0.00 0.00 41.96 42.28 1s3b s TYR 53 CO 0.00 -0.28 0.36 0.54 -1.52 0.00 0.00 175.55 174.65 1s3b s VAL 54 N -1.73 -0.02 -0.18 -3.49 0.11 -0.01 -4.98 120.40 110.10 1s3b s VAL 54 Ca -0.12 0.07 -0.29 0.00 -2.93 0.00 0.00 61.98 58.71 1s3b s VAL 54 Cb -0.06 -0.53 -0.00 0.00 -1.53 0.00 0.00 36.38 34.25 1s3b s VAL 54 CO -0.01 0.03 1.14 -1.81 -3.33 0.00 0.00 175.10 171.12 1s3b s ASP 55 N 0.97 7.04 0.00 3.54 1.01 -1.26 -0.95 116.67 127.02 1s3b s ASP 55 Ca -0.06 1.55 0.20 0.00 0.71 0.00 0.00 52.55 54.95 1s3b s ASP 55 Cb -0.07 -2.54 -0.22 0.00 1.01 0.00 0.00 42.92 41.10 1s3b s ASP 55 CO -0.07 -0.68 0.88 0.18 0.21 0.00 0.00 175.17 175.68 1s3b n LEU 56 N 6.25 0.98 0.00 1.23 4.77 0.20 -4.96 117.00 125.47 1s3b n LEU 56 Ca 0.12 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 1s3b n LEU 56 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1s3b n LEU 56 CO 0.54 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 1s3b n GLY 57 N 1.49 5.00 3.67 -0.72 0.00 -1.23 -4.75 105.19 108.64 1s3b n GLY 57 Ca 0.04 -1.54 -0.44 0.00 0.00 0.00 0.00 46.02 44.08 1s3b n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s3b n GLY 58 N 5.00 0.55 0.86 -0.02 0.00 -0.44 -4.86 105.19 106.28 1s3b n GLY 58 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1s3b n GLY 58 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1s3b n SER 59 N 1.53 0.00 -4.76 1.61 2.88 -1.26 -4.66 113.62 108.96 1s3b n SER 59 Ca 0.09 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.23 1s3b n SER 59 Cb 0.33 0.04 -0.06 0.00 -0.75 0.00 0.00 64.21 63.77 1s3b n SER 59 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1s3b s TYR 60 N -1.43 3.87 0.13 0.66 1.51 -1.26 -4.23 117.35 116.60 1s3b s TYR 60 Ca 0.00 1.64 0.03 0.00 -1.01 0.00 0.00 57.07 57.74 1s3b s TYR 60 Cb 0.00 -2.83 -0.04 0.00 -0.11 0.00 0.00 41.96 38.98 1s3b s TYR 60 CO 0.00 0.42 -0.08 0.14 -1.11 0.00 0.00 175.55 174.92 1s3b s VAL 61 N -0.78 0.96 0.26 0.71 -7.23 -0.01 -4.89 120.40 109.43 1s3b s VAL 61 Ca 0.38 -2.01 -0.14 0.00 -1.81 0.00 0.00 61.98 58.40 1s3b s VAL 61 Cb -0.23 -1.82 0.05 0.00 0.56 0.00 0.00 36.38 34.95 1s3b s VAL 61 CO 0.26 -0.77 0.73 0.61 -0.31 0.00 0.00 175.10 175.63 1s3b n GLY 62 N -0.15 0.99 3.60 2.32 0.00 -1.24 -0.67 105.19 110.04 1s3b n GLY 62 Ca -0.11 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 1s3b n GLY 62 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1s3b n PRO 63 N -0.50 1.32 -0.29 1.61 -0.04 -1.25 -2.02 135.00 133.83 1s3b n PRO 63 Ca -0.05 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 1s3b n PRO 63 Cb 0.49 -2.01 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 1s3b n PRO 63 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1s3b n THR 64 N -0.45 0.00 -2.47 0.52 -2.24 -1.26 -4.77 114.28 103.60 1s3b n THR 64 Ca 0.09 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.46 1s3b n THR 64 Cb 0.39 -0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.62 1s3b n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s3b n GLN 65 N -2.00 4.38 0.15 -0.78 6.02 -0.86 -4.80 117.38 119.50 1s3b n GLN 65 Ca 0.00 -3.96 0.03 0.00 -0.01 0.00 0.00 57.00 53.06 1s3b n GLN 65 Cb 0.00 -2.67 0.17 0.00 1.02 0.00 0.00 30.24 28.76 1s3b n GLN 65 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 1s3b h ASN 66 N 5.13 0.00 -0.06 1.08 2.35 -1.90 -2.98 115.58 119.20 1s3b h ASN 66 Ca 0.44 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.17 1s3b h ASN 66 Cb 0.49 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 1s3b h ASN 66 CO 1.45 0.50 -0.06 0.03 -1.65 0.00 0.00 177.43 177.70 1s3b h ARG 67 N 0.00 0.15 -0.46 0.81 3.08 -1.90 -0.81 114.38 115.25 1s3b h ARG 67 Ca -0.01 -0.08 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 1s3b h ARG 67 Cb 1.17 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.20 1s3b h ARG 67 CO 0.07 0.59 -0.04 0.97 -1.07 0.00 0.00 179.97 180.49 1s3b h ILE 68 N -0.28 1.25 -0.64 2.04 6.09 -1.83 -0.21 117.51 123.92 1s3b h ILE 68 Ca 0.01 -1.05 -0.06 0.00 -1.37 0.00 0.00 64.86 62.39 1s3b h ILE 68 Cb 0.56 0.93 -0.03 0.00 0.47 0.00 0.00 36.82 38.76 1s3b h ILE 68 CO 0.02 0.37 0.18 -0.07 -3.07 0.00 0.00 178.15 175.57 1s3b h LEU 69 N 0.72 0.95 -0.15 2.19 3.38 -1.51 -0.04 115.31 120.86 1s3b h LEU 69 Ca 0.14 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1s3b h LEU 69 Cb 0.49 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1s3b h LEU 69 CO 0.03 0.92 -0.10 -0.09 0.09 0.00 0.00 178.44 179.29 1s3b h ARG 70 N 0.94 0.33 -0.34 1.13 1.12 -0.88 -1.37 114.38 115.31 1s3b h ARG 70 Ca 0.20 -0.15 0.00 0.00 -1.11 0.00 0.00 59.98 58.93 1s3b h ARG 70 Cb 0.32 -0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.26 1s3b h ARG 70 CO -0.00 0.67 0.22 1.25 -3.11 0.00 0.00 179.97 179.00 1s3b h LEU 71 N -0.02 0.38 -0.62 3.80 5.85 -0.97 -1.44 115.31 122.29 1s3b h LEU 71 Ca 0.03 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1s3b h LEU 71 Cb 0.59 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1s3b h LEU 71 CO 0.03 0.28 0.32 0.00 -0.34 0.00 0.00 178.44 178.72 1s3b h ALA 72 N 1.13 0.80 -0.47 1.25 0.00 -1.00 -2.26 119.26 118.70 1s3b h ALA 72 Ca 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1s3b h ALA 72 Cb -0.05 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1s3b h ALA 72 CO -0.03 0.34 0.30 -0.22 0.00 0.00 0.00 179.25 179.64 1s3b h LYS 73 N 0.85 0.62 -0.26 0.00 3.64 -1.03 -0.71 116.57 119.68 1s3b h LYS 73 Ca 0.22 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1s3b h LYS 73 Cb 0.08 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1s3b h LYS 73 CO -0.03 0.43 0.16 1.49 -2.27 0.00 0.00 179.45 179.23 1s3b h GLU 74 N 0.63 0.35 -0.00 1.90 4.81 -1.00 -0.16 114.58 121.11 1s3b h GLU 74 Ca 0.17 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1s3b h GLU 74 Cb -0.05 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.25 1s3b h GLU 74 CO -0.04 0.25 -0.03 1.28 -0.73 0.00 0.00 179.01 179.74 1s3b n LEU 75 N -4.48 0.27 0.00 1.64 4.77 -0.84 -4.90 117.00 113.45 1s3b n LEU 75 Ca 0.01 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1s3b n LEU 75 Cb 0.08 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1s3b n LEU 75 CO 0.35 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1s3b n GLY 76 N 1.15 0.74 3.90 -0.72 0.00 -0.07 -5.05 105.19 105.14 1s3b n GLY 76 Ca 0.19 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1s3b n GLY 76 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s3b s LEU 77 N 0.00 4.07 0.19 0.99 1.43 -0.33 -5.01 118.68 120.01 1s3b s LEU 77 Ca 0.00 0.72 0.08 0.00 -1.03 0.00 0.00 54.13 53.90 1s3b s LEU 77 Cb 0.00 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 1s3b s LEU 77 CO 0.00 -0.19 -0.15 -1.61 0.23 0.00 0.00 176.35 174.63 1s3b s GLU 78 N -3.50 1.28 0.34 1.70 2.02 -1.26 -4.20 118.70 115.09 1s3b s GLU 78 Ca 0.44 -1.51 0.08 0.00 0.02 0.00 0.00 54.97 54.00 1s3b s GLU 78 Cb -0.11 -1.16 -0.03 0.00 0.10 0.00 0.00 34.13 32.93 1s3b s GLU 78 CO 0.29 0.21 0.28 0.95 0.02 0.00 0.00 175.26 177.01 1s3b s THR 79 N -2.63 3.40 0.10 3.63 -4.23 -1.26 -0.71 115.64 113.94 1s3b s THR 79 Ca 0.19 -1.41 0.01 0.00 -1.18 0.00 0.00 61.69 59.30 1s3b s THR 79 Cb -0.03 -3.14 -0.04 0.00 1.34 0.00 0.00 72.50 70.63 1s3b s THR 79 CO 0.06 -0.16 -0.04 -0.72 -0.54 0.00 0.00 174.62 173.22 1s3b s TYR 80 N -2.33 0.87 -0.03 3.99 -0.85 -0.31 -4.78 117.35 113.90 1s3b s TYR 80 Ca 0.41 -0.98 -0.23 0.00 -0.52 0.00 0.00 57.07 55.76 1s3b s TYR 80 Cb -0.05 -0.52 -0.04 0.00 0.38 0.00 0.00 41.96 41.73 1s3b s TYR 80 CO 0.26 -0.22 0.69 0.15 -1.52 0.00 0.00 175.55 174.91 1s3b s LYS 81 N -3.87 4.42 0.33 -3.49 1.02 -1.26 -1.60 119.74 115.29 1s3b s LYS 81 Ca 0.13 0.88 -0.29 0.00 0.02 0.00 0.00 55.97 56.71 1s3b s LYS 81 Cb 0.06 -3.41 -0.11 0.00 -0.52 0.00 0.00 37.83 33.85 1s3b s LYS 81 CO -0.04 0.18 1.49 0.08 -0.92 0.00 0.00 175.35 176.13 1s3b s VAL 82 N 0.40 2.23 -0.10 3.17 1.01 0.06 -4.91 120.40 122.27 1s3b s VAL 82 Ca 0.36 0.21 -0.29 0.00 0.00 0.00 0.00 61.98 62.26 1s3b s VAL 82 Cb -0.18 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 1s3b s VAL 82 CO 0.19 0.04 1.77 0.21 0.00 0.00 0.00 175.10 177.31 1s3b s ASN 83 N 0.07 6.42 -0.03 3.32 2.47 -1.26 -4.83 114.94 121.09 1s3b s ASN 83 Ca 0.56 2.13 0.25 0.00 0.42 0.00 0.00 52.86 56.23 1s3b s ASN 83 Cb -0.45 -2.53 0.43 0.00 -1.45 0.00 0.00 41.25 37.25 1s3b s ASN 83 CO 0.55 -1.15 1.16 1.21 -3.72 0.00 0.00 177.10 175.15 1s3b n GLU 84 N 7.53 0.23 -0.02 0.43 2.13 -1.26 -4.68 120.64 125.00 1s3b n GLU 84 Ca 0.20 -2.18 -0.13 0.00 0.66 0.00 0.00 57.16 55.71 1s3b n GLU 84 Cb 0.43 -0.20 -0.09 0.00 0.27 0.00 0.00 31.44 31.86 1s3b n GLU 84 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1s3b h VAL 85 N 6.78 1.33 -3.07 6.31 2.07 -1.92 -3.46 116.25 124.28 1s3b h VAL 85 Ca -0.23 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.27 1s3b h VAL 85 Cb 1.81 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 33.49 1s3b h VAL 85 CO 0.10 0.28 0.00 -0.62 0.02 0.00 0.00 177.57 177.35 1s3b n GLU 86 N -4.81 0.60 -2.63 1.57 4.71 -1.26 -4.99 120.64 113.84 1s3b n GLU 86 Ca -0.07 0.00 -0.36 0.00 -0.01 0.00 0.00 57.16 56.71 1s3b n GLU 86 Cb 0.24 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 30.62 1s3b n GLU 86 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1s3b s ARG 87 N -2.31 4.28 0.64 3.49 0.52 -0.23 -4.13 118.95 121.21 1s3b s ARG 87 Ca 0.00 1.43 -0.10 0.00 -0.52 0.00 0.00 55.73 56.54 1s3b s ARG 87 Cb 0.00 -2.57 -0.00 0.00 0.52 0.00 0.00 34.95 32.90 1s3b s ARG 87 CO 0.00 -0.02 1.01 -0.51 0.02 0.00 0.00 175.30 175.80 1s3b s LEU 88 N -2.54 3.10 -0.06 2.53 1.02 0.32 -0.57 118.68 122.48 1s3b s LEU 88 Ca 0.56 1.06 0.04 0.00 0.02 0.00 0.00 54.13 55.82 1s3b s LEU 88 Cb -0.20 -3.93 0.00 0.00 0.02 0.00 0.00 46.19 42.09 1s3b s LEU 88 CO 0.25 -1.13 -0.18 -0.63 0.02 0.00 0.00 176.35 174.69 1s3b s ILE 89 N -3.19 1.52 -0.26 -0.59 1.01 -0.36 -0.59 121.20 118.74 1s3b s ILE 89 Ca 0.56 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 60.41 1s3b s ILE 89 Cb -0.11 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 41.04 1s3b s ILE 89 CO 0.50 0.44 0.03 -2.28 0.00 0.00 0.00 174.94 173.63 1s3b s HIS 90 N 0.24 3.08 -0.34 3.97 5.65 -0.64 -0.25 115.29 127.00 1s3b s HIS 90 Ca -0.09 -0.95 -0.10 0.00 0.25 0.00 0.00 55.06 54.17 1s3b s HIS 90 Cb -0.14 -2.19 0.01 0.00 -1.18 0.00 0.00 32.58 29.08 1s3b s HIS 90 CO 0.04 -0.55 0.17 -1.58 -0.65 0.00 0.00 174.74 172.17 1s3b s HIS 91 N 1.49 3.21 -0.01 3.88 2.46 0.75 -0.08 115.29 126.99 1s3b s HIS 91 Ca 0.04 -0.82 0.01 0.00 0.47 0.00 0.00 55.06 54.76 1s3b s HIS 91 Cb -0.16 -2.39 0.00 0.00 -0.13 0.00 0.00 32.58 29.91 1s3b s HIS 91 CO 0.00 -0.57 -0.03 0.54 -2.47 0.00 0.00 174.74 172.22 1s3b s VAL 92 N 1.57 0.25 -1.54 0.89 0.11 -0.54 -0.53 120.40 120.60 1s3b s VAL 92 Ca 0.03 -0.11 -0.09 0.00 -2.93 0.00 0.00 61.98 58.88 1s3b s VAL 92 Cb -0.18 -0.23 0.07 0.00 -1.53 0.00 0.00 36.38 34.51 1s3b s VAL 92 CO 0.06 0.08 0.63 0.29 -3.33 0.00 0.00 175.10 172.84 1s3b n LYS 93 N 3.15 -3.52 -1.06 1.54 5.02 -1.26 -2.20 118.16 119.83 1s3b n LYS 93 Ca -0.14 0.41 -0.02 0.00 -2.02 0.00 0.00 58.31 56.54 1s3b n LYS 93 Cb 0.58 -4.87 -0.01 0.00 -0.02 0.00 0.00 35.03 30.70 1s3b n LYS 93 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s3b n GLY 94 N -1.71 0.54 3.03 0.72 0.00 -1.26 -5.02 105.19 101.48 1s3b n GLY 94 Ca -0.11 -0.37 -0.18 0.00 0.00 0.00 0.00 46.02 45.35 1s3b n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s3b s LYS 95 N -1.29 0.70 -0.12 1.61 1.02 -0.94 -5.08 119.74 115.64 1s3b s LYS 95 Ca 0.00 -0.36 -0.15 0.00 0.02 0.00 0.00 55.97 55.48 1s3b s LYS 95 Cb 0.00 -0.66 -0.05 0.00 -0.52 0.00 0.00 37.83 36.60 1s3b s LYS 95 CO 0.00 0.18 0.36 -1.12 -0.92 0.00 0.00 175.35 173.85 1s3b s SER 96 N -0.35 6.56 -0.32 2.83 0.01 -1.26 -1.47 113.70 119.69 1s3b s SER 96 Ca 0.02 0.67 0.03 0.00 1.31 0.00 0.00 55.95 57.97 1s3b s SER 96 Cb -0.04 -2.22 0.10 0.00 0.21 0.00 0.00 66.02 64.07 1s3b s SER 96 CO -0.00 0.12 0.05 -0.31 0.41 0.00 0.00 173.24 173.50 1s3b s TYR 97 N 0.23 3.14 0.49 2.43 1.51 0.89 -4.97 117.35 121.07 1s3b s TYR 97 Ca 0.20 -2.58 -0.22 0.00 -1.01 0.00 0.00 57.07 53.46 1s3b s TYR 97 Cb -0.14 -2.49 -0.07 0.00 -0.11 0.00 0.00 41.96 39.15 1s3b s TYR 97 CO 0.07 -0.92 1.20 -2.14 -1.11 0.00 0.00 175.55 172.66 1s3b s PRO 98 N 1.12 3.59 0.22 -1.71 0.02 -1.26 -1.61 135.00 135.37 1s3b s PRO 98 Ca 0.09 1.85 -0.16 0.00 0.02 0.00 0.00 61.00 62.80 1s3b s PRO 98 Cb -0.19 -2.34 0.02 0.00 0.02 0.00 0.00 34.50 32.01 1s3b s PRO 98 CO -0.12 -0.71 0.53 -0.59 -0.33 0.00 0.00 177.00 175.78 1s3b s PHE 99 N -1.51 0.03 0.24 6.54 -0.12 0.24 -4.93 117.98 118.47 1s3b s PHE 99 Ca 0.66 -0.40 0.11 0.00 -0.05 0.00 0.00 56.93 57.26 1s3b s PHE 99 Cb -0.31 0.36 -0.05 0.00 -0.63 0.00 0.00 43.02 42.40 1s3b s PHE 99 CO 0.37 -0.98 -0.20 1.03 -0.05 0.00 0.00 175.22 175.39 1s3b s ARG 100 N -3.92 1.67 0.00 1.99 0.52 -1.26 -0.52 118.95 117.43 1s3b s ARG 100 Ca 0.13 -1.63 0.00 0.00 -0.52 0.00 0.00 55.73 53.71 1s3b s ARG 100 Cb -0.01 -1.84 0.00 0.00 0.52 0.00 0.00 34.95 33.62 1s3b s ARG 100 CO 0.02 0.36 0.00 0.41 0.02 0.00 0.00 175.30 176.11 1s3b n GLY 101 N -0.26 -0.58 0.24 -3.53 0.00 -1.26 -4.63 105.19 95.17 1s3b n GLY 101 Ca -0.08 -1.74 0.14 0.00 0.00 0.00 0.00 46.02 44.34 1s3b n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s3b h PRO 102 N 0.00 0.00 -5.20 1.61 0.13 -1.97 -3.45 132.00 123.12 1s3b h PRO 102 Ca 0.00 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.48 1s3b h PRO 102 Cb 0.00 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 30.89 1s3b h PRO 102 CO 0.00 0.00 -0.70 -0.06 -0.23 0.00 0.00 178.00 177.01 1s3b s PHE 103 N -3.40 2.97 0.09 1.56 0.40 -1.26 -4.94 117.98 113.39 1s3b s PHE 103 Ca 0.05 -0.54 -0.31 0.00 -0.60 0.00 0.00 56.93 55.53 1s3b s PHE 103 Cb 0.07 -1.99 -0.08 0.00 0.51 0.00 0.00 43.02 41.53 1s3b s PHE 103 CO 0.61 -0.23 1.48 -1.25 0.70 0.00 0.00 175.22 176.53 1s3b s PRO 104 N 0.74 4.27 0.57 0.24 0.04 -1.26 -4.85 135.00 134.74 1s3b s PRO 104 Ca -0.02 2.15 -0.19 0.00 0.04 0.00 0.00 61.00 62.98 1s3b s PRO 104 Cb -0.15 -3.38 -0.05 0.00 0.04 0.00 0.00 34.50 30.97 1s3b s PRO 104 CO 0.02 -0.56 1.16 -2.14 0.04 0.00 0.00 177.00 175.52 1s3b s PRO 105 N 1.73 3.18 -0.08 0.56 0.02 -1.26 -5.05 135.00 134.10 1s3b s PRO 105 Ca 0.67 1.70 0.04 0.00 0.02 0.00 0.00 61.00 63.43 1s3b s PRO 105 Cb -0.37 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.17 1s3b s PRO 105 CO 0.30 -1.01 -0.21 0.08 -0.33 0.00 0.00 177.00 175.83 1s3b s VAL 106 N -1.71 1.81 -0.16 3.83 1.01 -1.26 -5.05 120.40 118.87 1s3b s VAL 106 Ca 0.75 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.89 1s3b s VAL 106 Cb -0.27 -1.57 -0.13 0.00 0.00 0.00 0.00 36.38 34.41 1s3b s VAL 106 CO 0.30 0.51 -0.08 0.79 0.00 0.00 0.00 175.10 176.62 1s3b n TRP 107 N 3.43 0.00 -1.78 5.22 7.02 -1.26 -4.75 117.44 125.32 1s3b n TRP 107 Ca -0.19 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 55.87 1s3b n TRP 107 Cb 0.53 -0.67 -0.03 0.00 -2.42 0.00 0.00 31.31 28.72 1s3b n TRP 107 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 1s3b s ASN 108 N -5.29 6.47 0.20 -0.99 3.84 -1.26 -4.89 114.94 113.02 1s3b s ASN 108 Ca -0.17 2.71 -0.09 0.00 0.21 0.00 0.00 52.86 55.52 1s3b s ASN 108 Cb 0.05 -2.58 0.14 0.00 -0.55 0.00 0.00 41.25 38.32 1s3b s ASN 108 CO 0.46 -0.95 1.78 -0.65 -2.79 0.00 0.00 177.10 174.94 1s3b h PRO 109 N 7.99 1.12 -0.39 0.43 0.11 -1.99 0.23 132.00 139.50 1s3b h PRO 109 Ca -0.44 -0.19 -0.11 0.00 0.11 0.00 0.00 66.00 65.37 1s3b h PRO 109 Cb 1.21 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1s3b h PRO 109 CO 0.94 0.90 -0.18 0.82 -0.21 0.00 0.00 178.00 180.28 1s3b h ILE 110 N 1.09 1.28 -0.86 4.15 1.08 -2.00 -2.34 117.51 119.91 1s3b h ILE 110 Ca 0.26 -1.31 -0.03 0.00 -0.39 0.00 0.00 64.86 63.39 1s3b h ILE 110 Cb 0.19 1.30 -0.04 0.00 -3.07 0.00 0.00 36.82 35.20 1s3b h ILE 110 CO -0.02 0.44 0.43 0.74 -0.69 0.00 0.00 178.15 179.04 1s3b h THR 111 N 0.61 1.26 -0.23 -0.27 2.02 -1.81 -1.62 112.91 112.87 1s3b h THR 111 Ca 0.09 -0.70 0.04 0.00 0.77 0.00 0.00 66.41 66.60 1s3b h THR 111 Cb 0.73 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 1s3b h THR 111 CO 0.06 0.31 0.02 0.22 0.37 0.00 0.00 175.52 176.49 1s3b h TYR 112 N 1.22 0.02 -0.77 3.16 5.03 -0.38 0.81 116.97 126.06 1s3b h TYR 112 Ca 0.30 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.61 1s3b h TYR 112 Cb 0.09 0.03 -0.04 0.00 1.55 0.00 0.00 36.73 38.36 1s3b h TYR 112 CO 0.01 -0.02 0.45 -0.07 -1.32 0.00 0.00 178.16 177.22 1s3b h LEU 113 N 0.10 0.94 -0.16 2.82 3.38 -1.12 -0.25 115.31 121.02 1s3b h LEU 113 Ca 0.11 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1s3b h LEU 113 Cb 0.13 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1s3b h LEU 113 CO -0.17 0.74 0.01 -0.78 0.09 0.00 0.00 178.44 178.33 1s3b h ASP 114 N 1.06 0.27 0.05 -0.43 3.58 -0.97 -0.67 116.42 119.31 1s3b h ASP 114 Ca 0.27 -0.29 0.01 0.00 0.42 0.00 0.00 57.03 57.44 1s3b h ASP 114 Cb -0.01 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 1s3b h ASP 114 CO -0.05 0.50 -0.09 0.45 -2.88 0.00 0.00 179.24 177.17 1s3b h HIS 115 N 0.04 -0.22 -0.56 0.28 3.86 -0.72 -1.49 115.15 116.33 1s3b h HIS 115 Ca 0.05 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.32 1s3b h HIS 115 Cb 0.35 0.09 -0.05 0.00 1.06 0.00 0.00 27.41 28.87 1s3b h HIS 115 CO 0.03 -0.14 0.28 -0.97 0.86 0.00 0.00 177.93 177.99 1s3b h ASN 116 N -0.17 0.39 -0.53 2.45 -1.24 -0.99 -2.43 115.58 113.05 1s3b h ASN 116 Ca 0.02 0.04 -0.09 0.00 0.71 0.00 0.00 56.30 56.97 1s3b h ASN 116 Cb 0.19 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.18 1s3b h ASN 116 CO -0.05 0.26 -0.01 -1.13 -1.29 0.00 0.00 177.43 175.21 1s3b h ASN 117 N 0.53 0.96 0.40 1.15 -0.73 -0.95 -2.06 115.58 114.88 1s3b h ASN 117 Ca 0.25 -0.26 -0.01 0.00 1.87 0.00 0.00 56.30 58.15 1s3b h ASN 117 Cb 0.18 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.50 1s3b h ASN 117 CO -0.18 1.02 -0.31 0.15 -0.37 0.00 0.00 177.43 177.74 1s3b h PHE 118 N 0.90 -0.82 -0.62 0.67 3.57 -0.79 0.15 116.94 119.99 1s3b h PHE 118 Ca 0.16 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 1s3b h PHE 118 Cb 0.54 0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.56 1s3b h PHE 118 CO 0.03 -0.46 0.23 -1.49 -2.23 0.00 0.00 178.31 174.40 1s3b h TRP 119 N -0.71 0.97 -0.44 0.41 4.06 -1.46 -1.16 115.95 117.62 1s3b h TRP 119 Ca -0.04 -0.08 0.00 0.00 2.06 0.00 0.00 58.89 60.84 1s3b h TRP 119 Cb 0.61 -0.29 -0.02 0.00 -1.00 0.00 0.00 29.16 28.46 1s3b h TRP 119 CO -0.14 0.77 0.28 -0.09 -3.56 0.00 0.00 178.44 175.70 1s3b h ARG 120 N 0.88 0.59 -0.65 0.49 2.43 -1.26 -2.66 114.38 114.19 1s3b h ARG 120 Ca 0.21 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.26 1s3b h ARG 120 Cb 0.23 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1s3b h ARG 120 CO -0.01 0.41 0.12 1.15 -1.51 0.00 0.00 179.97 180.13 1s3b h THR 121 N 0.59 1.26 -0.51 0.20 2.02 -0.34 0.48 112.91 116.61 1s3b h THR 121 Ca 0.16 -0.99 0.09 0.00 0.77 0.00 0.00 66.41 66.43 1s3b h THR 121 Cb -0.04 0.62 -0.07 0.00 -1.74 0.00 0.00 68.15 66.92 1s3b h THR 121 CO -0.03 0.37 0.11 0.24 0.37 0.00 0.00 175.52 176.58 1s3b h MET 122 N 1.00 0.24 -0.13 6.66 2.86 -1.00 0.94 114.93 125.49 1s3b h MET 122 Ca 0.20 -0.01 -0.19 0.00 -2.06 0.00 0.00 59.70 57.63 1s3b h MET 122 Cb 0.40 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1s3b h MET 122 CO 0.01 0.16 -0.71 -0.44 1.06 0.00 0.00 176.91 176.98 1s3b h ASP 123 N 0.24 0.69 -0.32 1.22 3.32 -1.14 -1.71 116.42 118.72 1s3b h ASP 123 Ca 0.25 -0.43 0.03 0.00 0.02 0.00 0.00 57.03 56.90 1s3b h ASP 123 Cb 0.34 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 1s3b h ASP 123 CO -0.33 1.19 0.13 0.44 -1.72 0.00 0.00 179.24 178.96 1s3b h ASP 124 N 0.41 0.18 -0.60 6.45 3.32 -0.42 -1.82 116.42 123.94 1s3b h ASP 124 Ca -0.03 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 1s3b h ASP 124 Cb 1.30 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.83 1s3b h ASP 124 CO 0.13 0.14 0.09 0.24 -1.72 0.00 0.00 179.24 178.13 1s3b h MET 125 N 0.29 1.00 -0.64 3.56 2.86 -0.80 -2.81 114.93 118.40 1s3b h MET 125 Ca 0.14 -0.27 0.08 0.00 -2.06 0.00 0.00 59.70 57.59 1s3b h MET 125 Cb 0.09 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.59 1s3b h MET 125 CO -0.12 0.95 0.42 0.78 1.06 0.00 0.00 176.91 180.00 1s3b h GLY 126 N 0.91 0.72 2.00 8.32 0.00 -0.88 -1.93 103.07 112.22 1s3b h GLY 126 Ca 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1s3b h GLY 126 CO 0.01 0.14 0.00 3.21 0.00 0.00 0.00 176.54 179.91 1s3b h ARG 127 N 0.54 0.00 -0.11 4.80 3.08 -1.06 -0.94 114.38 120.69 1s3b h ARG 127 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1s3b h ARG 127 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1s3b h ARG 127 CO -0.09 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.20 1s3b n GLU 128 N -3.04 1.82 -3.79 0.04 -0.58 -0.72 -4.83 120.64 109.53 1s3b n GLU 128 Ca -0.01 -1.21 -0.37 0.00 -0.42 0.00 0.00 57.16 55.14 1s3b n GLU 128 Cb 0.17 -1.45 -0.13 0.00 -0.57 0.00 0.00 31.44 29.46 1s3b n GLU 128 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1s3b s ILE 129 N -1.87 3.66 0.18 -3.67 1.01 -0.36 -4.20 121.20 115.94 1s3b s ILE 129 Ca 0.35 -1.08 -0.32 0.00 0.00 0.00 0.00 60.65 59.60 1s3b s ILE 129 Cb 0.20 -3.03 -0.11 0.00 0.01 0.00 0.00 42.46 39.53 1s3b s ILE 129 CO 0.30 -0.10 1.62 -2.84 0.00 0.00 0.00 174.94 173.92 1s3b s PRO 130 N 1.39 4.19 0.32 2.79 0.02 -1.26 -4.91 135.00 137.55 1s3b s PRO 130 Ca -0.01 2.44 -0.00 0.00 0.02 0.00 0.00 61.00 63.45 1s3b s PRO 130 Cb -0.19 -3.13 0.53 0.00 0.02 0.00 0.00 34.50 31.73 1s3b s PRO 130 CO 0.02 -0.65 1.99 0.77 -0.33 0.00 0.00 177.00 178.79 1s3b h SER 131 N 6.80 0.85 0.01 2.53 0.02 -1.94 -2.17 113.55 119.66 1s3b h SER 131 Ca -0.43 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1s3b h SER 131 Cb 1.20 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1s3b h SER 131 CO 0.93 0.61 -0.03 -0.90 -1.14 0.00 0.00 176.83 176.30 1s3b n ASP 132 N -4.42 1.55 -2.73 3.07 5.75 -1.26 -4.55 116.55 113.95 1s3b n ASP 132 Ca 0.08 -1.46 -0.07 0.00 -0.01 0.00 0.00 54.79 53.32 1s3b n ASP 132 Cb 0.03 0.02 0.06 0.00 -1.03 0.00 0.00 41.12 40.20 1s3b n ASP 132 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1s3b n ALA 133 N 0.15 -1.76 0.20 2.12 0.00 -0.98 -5.01 120.51 115.23 1s3b n ALA 133 Ca 0.18 -1.21 0.15 0.00 0.00 0.00 0.00 53.44 52.56 1s3b n ALA 133 Cb 0.37 -1.66 0.78 0.00 0.00 0.00 0.00 19.45 18.94 1s3b n ALA 133 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1s3b h PRO 134 N 3.80 0.00 0.00 0.00 0.13 -1.64 -0.35 132.00 133.94 1s3b h PRO 134 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1s3b h PRO 134 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1s3b h PRO 134 CO 0.23 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.33 1s3b n TRP 135 N -4.07 0.00 0.94 1.56 2.14 -1.26 -1.85 117.44 114.90 1s3b n TRP 135 Ca 0.01 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.70 1s3b n TRP 135 Cb 0.28 -0.40 0.27 0.00 -0.81 0.00 0.00 31.31 30.65 1s3b n TRP 135 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 1s3b n LYS 136 N -1.40 2.13 -1.69 -2.67 5.02 -0.14 -4.78 118.16 114.64 1s3b n LYS 136 Ca 0.04 -1.68 -0.42 0.00 -2.02 0.00 0.00 58.31 54.23 1s3b n LYS 136 Cb 0.12 -1.47 -0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1s3b n LYS 136 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s3b n ALA 137 N 0.95 1.14 -0.27 7.82 0.00 -0.77 -4.87 120.51 124.51 1s3b n ALA 137 Ca 0.17 0.35 0.11 0.00 0.00 0.00 0.00 53.44 54.07 1s3b n ALA 137 Cb 0.50 -2.23 0.36 0.00 0.00 0.00 0.00 19.45 18.08 1s3b n ALA 137 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1s3b h PRO 138 N 2.41 0.70 -0.62 0.00 0.11 -1.92 -1.42 132.00 131.26 1s3b h PRO 138 Ca -0.46 -0.04 -0.34 0.00 0.11 0.00 0.00 66.00 65.27 1s3b h PRO 138 Cb 1.29 -0.16 -0.20 0.00 0.11 0.00 0.00 31.00 32.04 1s3b h PRO 138 CO 0.62 0.47 0.17 1.28 -0.21 0.00 0.00 178.00 180.33 1s3b n LEU 139 N -4.56 5.22 -0.15 2.35 4.77 -1.26 -4.79 117.00 118.58 1s3b n LEU 139 Ca 0.17 -3.82 -0.03 0.00 -0.03 0.00 0.00 56.01 52.30 1s3b n LEU 139 Cb 0.44 -0.71 0.04 0.00 -2.33 0.00 0.00 43.42 40.86 1s3b n LEU 139 CO 0.30 1.26 0.80 0.00 -1.33 0.00 0.00 177.39 178.42 1s3b h ALA 140 N 1.12 0.38 -0.14 -1.18 0.00 -1.56 -1.08 119.26 116.80 1s3b h ALA 140 Ca 0.39 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.45 1s3b h ALA 140 Cb 1.99 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 20.08 1s3b h ALA 140 CO 0.71 -0.42 0.03 0.93 0.00 0.00 0.00 179.25 180.50 1s3b h GLU 141 N 0.05 0.23 -0.39 0.00 5.08 -1.87 0.13 114.58 117.81 1s3b h GLU 141 Ca 0.23 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.60 1s3b h GLU 141 Cb 0.36 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 1s3b h GLU 141 CO -0.45 0.40 0.04 1.49 -1.00 0.00 0.00 179.01 179.50 1s3b h GLU 142 N 0.02 0.15 -0.03 2.33 4.81 -1.86 -1.37 114.58 118.63 1s3b h GLU 142 Ca 0.04 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.10 1s3b h GLU 142 Cb 0.28 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 1s3b h GLU 142 CO 0.00 0.10 -0.72 -1.49 -0.73 0.00 0.00 179.01 176.17 1s3b h TRP 143 N 0.16 0.23 0.00 0.92 6.55 -1.06 -3.11 115.95 119.63 1s3b h TRP 143 Ca 0.19 -0.10 -0.04 0.00 0.95 0.00 0.00 58.89 59.88 1s3b h TRP 143 Cb 0.25 -0.03 -0.01 0.00 -0.86 0.00 0.00 29.16 28.51 1s3b h TRP 143 CO -0.23 0.83 -0.20 0.22 -1.05 0.00 0.00 178.44 178.01 1s3b h ASP 144 N 0.11 0.00 -0.27 -3.49 3.58 -0.42 -2.28 116.42 113.65 1s3b h ASP 144 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1s3b h ASP 144 Cb 1.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.33 1s3b h ASP 144 CO 0.11 0.20 0.00 0.59 -2.88 0.00 0.00 179.24 177.26 1s3b n ASN 145 N -3.28 1.95 -4.44 2.28 3.02 -0.55 -0.51 115.26 113.74 1s3b n ASN 145 Ca 0.01 -1.85 -0.31 0.00 -0.03 0.00 0.00 54.58 52.41 1s3b n ASN 145 Cb 0.47 -0.18 -0.13 0.00 -0.61 0.00 0.00 39.78 39.34 1s3b n ASN 145 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1s3b s MET 146 N -1.64 2.02 0.62 3.52 -1.94 -1.18 -4.91 119.30 115.80 1s3b s MET 146 Ca 0.30 -1.00 -0.07 0.00 -1.71 0.00 0.00 55.69 53.20 1s3b s MET 146 Cb 0.16 -2.16 0.01 0.00 2.01 0.00 0.00 34.83 34.86 1s3b s MET 146 CO 0.23 0.53 0.95 0.95 -0.01 0.00 0.00 175.02 177.68 1s3b s THR 147 N -0.91 3.54 0.41 2.05 -4.23 -1.26 -0.91 115.64 114.33 1s3b s THR 147 Ca 0.14 0.10 0.09 0.00 -1.18 0.00 0.00 61.69 60.84 1s3b s THR 147 Cb -0.10 -3.43 0.23 0.00 1.34 0.00 0.00 72.50 70.53 1s3b s THR 147 CO 0.05 -0.48 2.02 0.24 -0.54 0.00 0.00 174.62 175.91 1s3b h MET 148 N -0.31 0.37 -0.44 3.99 2.86 -0.77 -2.18 114.93 118.45 1s3b h MET 148 Ca -0.45 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.19 1s3b h MET 148 Cb 1.26 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.80 1s3b h MET 148 CO 0.61 0.33 0.19 -0.22 1.06 0.00 0.00 176.91 178.88 1s3b h LYS 149 N 0.37 0.37 -0.75 1.72 3.64 -1.55 0.71 116.57 121.08 1s3b h LYS 149 Ca 0.09 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1s3b h LYS 149 Cb 0.10 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 1s3b h LYS 149 CO -0.01 0.25 0.41 0.93 -2.27 0.00 0.00 179.45 178.76 1s3b h GLU 150 N 0.38 1.05 -0.31 1.90 5.08 -1.72 -0.30 114.58 120.66 1s3b h GLU 150 Ca 0.20 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1s3b h GLU 150 Cb 0.15 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1s3b h GLU 150 CO -0.17 0.78 0.05 1.25 -1.00 0.00 0.00 179.01 179.93 1s3b h LEU 151 N 1.04 0.49 -0.93 1.33 5.85 -0.96 -1.73 115.31 120.40 1s3b h LEU 151 Ca 0.27 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1s3b h LEU 151 Cb 0.03 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1s3b h LEU 151 CO -0.04 0.62 0.48 -0.07 -0.34 0.00 0.00 178.44 179.09 1s3b h LEU 152 N 0.34 1.10 -1.03 2.25 3.38 -0.66 -0.19 115.31 120.50 1s3b h LEU 152 Ca 0.10 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1s3b h LEU 152 Cb 0.34 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1s3b h LEU 152 CO 0.01 0.89 0.49 0.44 0.09 0.00 0.00 178.44 180.35 1s3b h ASP 153 N 1.24 1.03 -0.22 -0.43 3.32 -0.82 -0.25 116.42 120.29 1s3b h ASP 153 Ca 0.31 -0.07 -0.12 0.00 0.02 0.00 0.00 57.03 57.16 1s3b h ASP 153 Cb 0.03 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 1s3b h ASP 153 CO -0.05 0.81 -0.35 0.11 -1.72 0.00 0.00 179.24 178.04 1s3b h LYS 154 N 1.18 0.63 0.14 3.56 1.57 -0.77 -3.38 116.57 119.50 1s3b h LYS 154 Ca 0.30 -0.38 -0.33 0.00 -1.87 0.00 0.00 60.65 58.37 1s3b h LYS 154 Cb -0.01 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1s3b h LYS 154 CO -0.05 0.99 -1.71 -0.07 -0.57 0.00 0.00 179.45 178.04 1s3b h LEU 155 N 0.32 0.47 -8.85 2.94 -0.00 -0.80 -3.45 115.31 105.95 1s3b h LEU 155 Ca 0.02 -0.74 -0.62 0.00 -0.00 0.00 0.00 57.88 56.53 1s3b h LEU 155 Cb 0.94 -0.15 -0.13 0.00 -0.00 0.00 0.00 40.66 41.32 1s3b h LEU 155 CO 0.08 1.63 0.16 0.00 -0.00 0.00 0.00 178.44 180.31 1s3b n TRP 157 N 5.96 0.01 -4.50 0.00 7.02 -1.26 -4.85 117.44 119.81 1s3b n TRP 157 Ca -0.01 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.18 1s3b n TRP 157 Cb 0.49 -0.25 -0.13 0.00 -2.42 0.00 0.00 31.31 29.00 1s3b n TRP 157 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1s3b s THR 158 N -3.00 2.45 0.29 -0.99 -4.23 -1.26 -5.04 115.64 103.87 1s3b s THR 158 Ca 0.11 -1.55 0.02 0.00 -1.18 0.00 0.00 61.69 59.09 1s3b s THR 158 Cb 0.17 -2.07 0.10 0.00 1.34 0.00 0.00 72.50 72.05 1s3b s THR 158 CO 0.71 0.18 1.77 -0.33 -0.54 0.00 0.00 174.62 176.41 1s3b h GLU 159 N 4.10 0.54 -0.12 3.99 4.39 -1.99 -2.52 114.58 122.97 1s3b h GLU 159 Ca -0.49 -0.17 0.03 0.00 0.34 0.00 0.00 59.36 59.07 1s3b h GLU 159 Cb 1.16 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.72 1s3b h GLU 159 CO 0.43 0.67 -0.09 1.03 -1.16 0.00 0.00 179.01 179.88 1s3b h SER 160 N 0.50 -0.29 -0.49 1.42 0.87 -1.99 0.78 113.55 114.35 1s3b h SER 160 Ca 0.09 0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.66 1s3b h SER 160 Cb 0.53 0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.62 1s3b h SER 160 CO 0.03 -0.12 0.12 0.00 -0.53 0.00 0.00 176.83 176.32 1s3b h ALA 161 N 1.00 0.65 -0.60 6.23 0.00 -1.89 -2.14 119.26 122.51 1s3b h ALA 161 Ca 0.08 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1s3b h ALA 161 Cb 0.22 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1s3b h ALA 161 CO -0.19 0.34 0.37 -0.22 0.00 0.00 0.00 179.25 179.55 1s3b h LYS 162 N 0.67 0.81 -0.47 0.00 3.64 -1.19 0.16 116.57 120.19 1s3b h LYS 162 Ca 0.15 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1s3b h LYS 162 Cb 0.34 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1s3b h LYS 162 CO 0.00 0.58 0.12 1.96 -2.27 0.00 0.00 179.45 179.84 1s3b h GLN 163 N 0.81 0.76 -0.46 1.90 4.20 -0.74 -0.22 115.11 121.37 1s3b h GLN 163 Ca 0.22 -0.18 -0.14 0.00 0.06 0.00 0.00 58.65 58.61 1s3b h GLN 163 Cb -0.03 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1s3b h GLN 163 CO -0.04 0.74 -0.26 1.25 -0.67 0.00 0.00 178.83 179.85 1s3b h LEU 164 N 0.64 1.02 -0.96 1.46 5.85 -1.16 -1.56 115.31 120.59 1s3b h LEU 164 Ca 0.15 -0.41 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 1s3b h LEU 164 Cb 0.32 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1s3b h LEU 164 CO 0.00 1.21 0.47 0.00 -0.34 0.00 0.00 178.44 179.78 1s3b h ALA 165 N 0.86 1.21 -0.12 1.25 0.00 -0.86 -0.86 119.26 120.74 1s3b h ALA 165 Ca 0.10 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1s3b h ALA 165 Cb 0.84 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1s3b h ALA 165 CO 0.07 0.64 0.06 1.15 0.00 0.00 0.00 179.25 181.17 1s3b h THR 166 N 1.21 1.11 -0.60 0.00 2.02 -0.84 -1.25 112.91 114.56 1s3b h THR 166 Ca 0.30 -0.33 0.10 0.00 0.77 0.00 0.00 66.41 67.25 1s3b h THR 166 Cb 0.03 1.12 -0.07 0.00 -1.74 0.00 0.00 68.15 67.48 1s3b h THR 166 CO -0.05 0.10 0.20 0.25 0.37 0.00 0.00 175.52 176.40 1s3b h LEU 167 N 0.07 0.18 -0.24 2.58 6.46 -0.99 -0.42 115.31 122.95 1s3b h LEU 167 Ca 0.04 0.08 0.03 0.00 -0.12 0.00 0.00 57.88 57.91 1s3b h LEU 167 Cb 0.11 0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 1s3b h LEU 167 CO -0.01 0.11 0.06 0.15 -0.62 0.00 0.00 178.44 178.13 1s3b h PHE 168 N 0.37 0.11 -0.25 1.25 3.57 -0.85 0.60 116.94 121.74 1s3b h PHE 168 Ca 0.30 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.82 1s3b h PHE 168 Cb 0.39 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1s3b h PHE 168 CO -0.18 0.04 0.16 0.28 -2.23 0.00 0.00 178.31 176.37 1s3b h VAL 169 N 0.16 1.09 -0.68 1.41 2.07 -0.70 0.47 116.25 120.07 1s3b h VAL 169 Ca 0.11 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.47 1s3b h VAL 169 Cb 0.10 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 1s3b h VAL 169 CO -0.13 0.09 0.41 0.78 0.02 0.00 0.00 177.57 178.73 1s3b h ASN 170 N 0.32 0.64 -0.18 0.57 -0.26 -0.66 -1.89 115.58 114.11 1s3b h ASN 170 Ca 0.09 0.01 -0.17 0.00 -0.56 0.00 0.00 56.30 55.68 1s3b h ASN 170 Cb 0.00 -0.12 -0.00 0.00 -1.06 0.00 0.00 38.32 37.14 1s3b h ASN 170 CO -0.02 0.43 -0.51 0.25 -1.06 0.00 0.00 177.43 176.52 1s3b h LEU 171 N 0.77 0.84 -0.31 1.61 5.85 -0.62 -0.52 115.31 122.92 1s3b h LEU 171 Ca 0.29 -0.43 -0.12 0.00 0.84 0.00 0.00 57.88 58.46 1s3b h LEU 171 Cb 0.11 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1s3b h LEU 171 CO -0.14 1.19 -0.29 0.00 -0.34 0.00 0.00 178.44 178.86 1s3b n VAL 173 N -4.24 0.59 -4.27 0.00 0.24 -0.74 -4.96 118.33 104.95 1s3b n VAL 173 Ca -0.03 -0.64 -0.36 0.00 -2.04 0.00 0.00 64.34 61.27 1s3b n VAL 173 Cb 0.47 0.59 -0.05 0.00 -1.47 0.00 0.00 33.84 33.39 1s3b n VAL 173 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1s3b n THR 174 N -0.36 -1.11 -3.84 3.34 -2.24 -0.20 -4.58 114.28 105.29 1s3b n THR 174 Ca 0.02 -0.14 -0.10 0.00 -2.27 0.00 0.00 64.05 61.57 1s3b n THR 174 Cb 0.46 -1.50 -0.08 0.00 -2.10 0.00 0.00 70.33 67.12 1s3b n THR 174 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s3b s ALA 175 N -3.51 -0.34 0.58 6.98 0.00 -1.25 -1.63 121.76 122.59 1s3b s ALA 175 Ca 0.57 -0.40 -0.15 0.00 0.00 0.00 0.00 51.96 51.97 1s3b s ALA 175 Cb -0.32 0.39 -0.05 0.00 0.00 0.00 0.00 23.12 23.15 1s3b s ALA 175 CO 0.95 -0.44 1.03 -1.21 0.00 0.00 0.00 175.76 176.09 1s3b s GLU 176 N -3.20 3.51 0.41 0.00 0.41 -1.26 -3.79 118.70 114.77 1s3b s GLU 176 Ca -0.00 1.07 0.10 0.00 -0.41 0.00 0.00 54.97 55.73 1s3b s GLU 176 Cb 0.02 -2.07 0.85 0.00 -1.78 0.00 0.00 34.13 31.15 1s3b s GLU 176 CO -0.07 -0.65 1.96 1.79 -0.49 0.00 0.00 175.26 177.80 1s3b h THR 177 N 0.44 1.15 0.00 3.63 1.35 -1.94 -1.47 112.91 116.07 1s3b h THR 177 Ca -0.46 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.78 1s3b h THR 177 Cb 1.21 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 1s3b h THR 177 CO 0.59 0.20 0.00 0.00 -0.25 0.00 0.00 175.52 176.06 1s3b n HIS 178 N -4.33 0.00 0.04 4.73 1.44 -1.26 -1.49 115.22 114.36 1s3b n HIS 178 Ca -0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1s3b n HIS 178 Cb 0.22 -0.35 -0.07 0.00 0.12 0.00 0.00 29.99 29.91 1s3b n HIS 178 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1s3b h GLU 179 N 0.00 0.00 -6.52 -1.40 5.08 -1.64 -3.47 114.58 106.63 1s3b h GLU 179 Ca 0.00 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.68 1s3b h GLU 179 Cb 0.33 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.40 1s3b h GLU 179 CO 0.00 0.30 -0.76 0.14 -1.00 0.00 0.00 179.01 177.69 1s3b s VAL 180 N -2.94 3.19 0.32 3.13 -7.23 -1.23 -4.16 120.40 111.49 1s3b s VAL 180 Ca -0.02 -1.15 -0.29 0.00 -1.81 0.00 0.00 61.98 58.71 1s3b s VAL 180 Cb 0.09 -2.42 -0.10 0.00 0.56 0.00 0.00 36.38 34.50 1s3b s VAL 180 CO 0.80 0.25 1.35 -0.55 -0.31 0.00 0.00 175.10 176.64 1s3b s SER 181 N -1.76 6.72 0.16 4.85 0.15 0.31 -1.57 113.70 122.55 1s3b s SER 181 Ca 0.18 2.71 -0.14 0.00 0.70 0.00 0.00 55.95 59.40 1s3b s SER 181 Cb -0.11 -2.64 0.05 0.00 -1.71 0.00 0.00 66.02 61.60 1s3b s SER 181 CO 0.09 -0.59 1.73 0.00 1.20 0.00 0.00 173.24 175.67 1s3b h ALA 182 N 3.72 0.67 -0.29 5.45 0.00 -1.03 -1.50 119.26 126.28 1s3b h ALA 182 Ca -0.48 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.31 1s3b h ALA 182 Cb 1.23 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1s3b h ALA 182 CO 0.68 0.26 0.13 1.25 0.00 0.00 0.00 179.25 181.57 1s3b h LEU 183 N 0.70 0.18 -0.41 0.00 5.85 -1.66 -0.01 115.31 119.96 1s3b h LEU 183 Ca 0.18 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 1s3b h LEU 183 Cb 0.16 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1s3b h LEU 183 CO -0.02 0.14 0.16 -0.25 -0.34 0.00 0.00 178.44 178.13 1s3b h TRP 184 N 0.28 0.63 -0.65 1.25 7.01 -1.85 -0.24 115.95 122.38 1s3b h TRP 184 Ca 0.12 -0.05 -0.06 0.00 2.11 0.00 0.00 58.89 61.01 1s3b h TRP 184 Cb 0.06 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 26.91 1s3b h TRP 184 CO -0.11 0.56 0.17 0.35 -2.79 0.00 0.00 178.44 176.62 1s3b h PHE 185 N 0.52 1.07 -0.61 2.65 3.57 -0.98 0.13 116.94 123.30 1s3b h PHE 185 Ca 0.14 -0.12 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 1s3b h PHE 185 Cb 0.20 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 1s3b h PHE 185 CO 0.00 0.89 0.02 -0.07 -2.23 0.00 0.00 178.31 176.92 1s3b h LEU 186 N 0.95 1.02 -0.35 0.59 3.38 -0.83 -1.49 115.31 118.57 1s3b h LEU 186 Ca 0.21 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1s3b h LEU 186 Cb 0.34 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1s3b h LEU 186 CO -0.00 1.05 0.21 -0.25 0.09 0.00 0.00 178.44 179.54 1s3b h TRP 187 N 0.96 0.39 -0.56 1.13 7.01 -0.73 -1.91 115.95 122.24 1s3b h TRP 187 Ca 0.18 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.21 1s3b h TRP 187 Cb 0.52 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 27.42 1s3b h TRP 187 CO 0.04 0.23 0.34 -0.92 -2.79 0.00 0.00 178.44 175.34 1s3b h TYR 188 N 0.43 0.64 -0.25 2.65 3.20 -0.16 0.81 116.97 124.28 1s3b h TYR 188 Ca 0.13 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 1s3b h TYR 188 Cb -0.01 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 1s3b h TYR 188 CO -0.07 0.36 -0.10 0.28 -1.64 0.00 0.00 178.16 177.00 1s3b h VAL 189 N 0.67 1.29 -0.95 1.81 2.07 -1.25 -3.07 116.25 116.82 1s3b h VAL 189 Ca 0.23 -1.15 -0.00 0.00 0.82 0.00 0.00 66.70 66.60 1s3b h VAL 189 Cb 0.02 1.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 1s3b h VAL 189 CO -0.10 0.36 0.59 0.50 0.02 0.00 0.00 177.57 178.93 1s3b h LYS 190 N 0.24 1.28 0.00 1.57 3.11 -0.81 -0.71 116.57 121.25 1s3b h LYS 190 Ca 0.06 -0.11 0.00 0.00 -2.81 0.00 0.00 60.65 57.79 1s3b h LYS 190 Cb 0.59 -0.27 0.00 0.00 -1.00 0.00 0.00 32.23 31.54 1s3b h LYS 190 CO 0.03 0.88 0.00 0.00 -2.81 0.00 0.00 179.45 177.56 1s3b n GLN 191 N -4.37 0.40 0.00 1.90 -0.00 0.23 -1.00 117.38 114.54 1s3b n GLN 191 Ca 0.11 0.02 0.13 0.00 -0.00 0.00 0.00 57.00 57.25 1s3b n GLN 191 Cb 0.05 -1.50 0.29 0.00 -0.00 0.00 0.00 30.24 29.07 1s3b n GLN 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1s3b n GLY 193 N 1.28 1.03 0.00 0.00 0.00 -0.17 -4.55 105.19 102.79 1s3b n GLY 193 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1s3b n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s3b n GLY 194 N -1.87 0.99 0.17 -0.02 0.00 -0.32 -4.49 105.19 99.65 1s3b n GLY 194 Ca 0.00 -2.07 -0.09 0.00 0.00 0.00 0.00 46.02 43.86 1s3b n GLY 194 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1s3b h THR 195 N 0.00 1.12 -0.41 2.61 1.35 -1.92 -1.73 112.91 113.93 1s3b h THR 195 Ca 0.00 -0.29 -0.02 0.00 -0.55 0.00 0.00 66.41 65.55 1s3b h THR 195 Cb 0.00 0.64 -0.02 0.00 -1.73 0.00 0.00 68.15 67.04 1s3b h THR 195 CO 0.00 0.13 0.17 0.74 -0.25 0.00 0.00 175.52 176.31 1s3b h THR 196 N 0.49 1.19 -0.56 6.82 2.02 -1.98 -1.96 112.91 118.95 1s3b h THR 196 Ca 0.14 -0.58 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 1s3b h THR 196 Cb 0.00 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 1s3b h THR 196 CO -0.03 0.21 0.25 -0.09 0.37 0.00 0.00 175.52 176.24 1s3b h ARG 197 N 0.52 0.81 -0.11 6.66 9.65 -1.74 -2.06 114.38 128.12 1s3b h ARG 197 Ca 0.14 -0.13 -0.15 0.00 -1.10 0.00 0.00 59.98 58.74 1s3b h ARG 197 Cb 0.17 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.60 1s3b h ARG 197 CO -0.01 0.68 -0.58 0.97 2.80 0.00 0.00 179.97 183.83 1s3b h ILE 198 N 0.75 1.36 0.00 1.20 2.10 -1.17 -1.56 117.51 120.20 1s3b h ILE 198 Ca 0.19 -1.90 0.00 0.00 1.08 0.00 0.00 64.86 64.23 1s3b h ILE 198 Cb 0.15 1.91 0.00 0.00 -1.09 0.00 0.00 36.82 37.79 1s3b h ILE 198 CO -0.02 0.57 -0.77 0.16 -1.08 0.00 0.00 178.15 177.01 1s3b h ILE 199 N 0.26 0.00 -3.71 2.19 3.07 -1.26 -3.39 117.51 114.67 1s3b h ILE 199 Ca -0.00 -0.57 -0.50 0.00 1.55 0.00 0.00 64.86 65.34 1s3b h ILE 199 Cb 1.09 1.08 -0.03 0.00 -0.27 0.00 0.00 36.82 38.70 1s3b h ILE 199 CO 0.10 0.00 0.21 -0.44 -1.05 0.00 0.00 178.15 176.97 1s3b s SER 200 N -4.36 7.18 0.00 2.16 0.01 -0.79 -4.93 113.70 112.98 1s3b s SER 200 Ca 0.05 1.60 0.00 0.00 1.31 0.00 0.00 55.95 58.91 1s3b s SER 200 Cb 0.13 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.87 1s3b s SER 200 CO 0.75 -0.01 0.00 0.41 0.41 0.00 0.00 173.24 174.80 1s3b n THR 201 N 0.65 0.00 -1.68 1.44 -1.04 -1.26 -2.26 114.28 110.14 1s3b n THR 201 Ca -0.00 0.09 -0.46 0.00 -2.04 0.00 0.00 64.05 61.63 1s3b n THR 201 Cb 0.51 -0.42 -0.04 0.00 -1.82 0.00 0.00 70.33 68.56 1s3b n THR 201 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1s3b n THR 202 N -0.93 0.33 -1.57 12.58 -1.04 -1.26 -1.46 114.28 120.93 1s3b n THR 202 Ca 0.00 -0.06 -0.15 0.00 -2.04 0.00 0.00 64.05 61.80 1s3b n THR 202 Cb 0.00 -1.82 -0.05 0.00 -1.82 0.00 0.00 70.33 66.63 1s3b n THR 202 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1s3b n ASN 203 N 5.30 -4.76 -0.82 8.00 5.15 -1.26 -4.97 115.26 121.90 1s3b n ASN 203 Ca 0.20 0.31 0.00 0.00 -0.60 0.00 0.00 54.58 54.48 1s3b n ASN 203 Cb 0.31 -3.63 0.00 0.00 -0.53 0.00 0.00 39.78 35.93 1s3b n ASN 203 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1s3b n GLY 204 N -1.12 4.16 0.32 8.20 0.00 -0.53 -4.79 105.19 111.43 1s3b n GLY 204 Ca -0.15 -1.59 0.19 0.00 0.00 0.00 0.00 46.02 44.47 1s3b n GLY 204 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1s3b h GLY 205 N 0.00 0.00 -2.74 -0.02 0.00 -0.85 -2.64 103.07 96.82 1s3b h GLY 205 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1s3b h GLY 205 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.48 1s3b n GLN 206 N -3.41 4.07 -0.03 4.80 3.00 -0.96 -3.46 117.38 121.40 1s3b n GLN 206 Ca -0.03 -3.04 -0.05 0.00 -0.01 0.00 0.00 57.00 53.87 1s3b n GLN 206 Cb 0.09 -2.10 0.16 0.00 0.00 0.00 0.00 30.24 28.40 1s3b n GLN 206 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 1s3b h GLU 207 N 3.07 0.60 -4.45 -1.09 4.81 -1.10 -3.42 114.58 113.01 1s3b h GLU 207 Ca 0.00 -0.23 -0.18 0.00 -0.13 0.00 0.00 59.36 58.83 1s3b h GLU 207 Cb 1.77 -0.04 -0.15 0.00 0.63 0.00 0.00 28.75 30.96 1s3b h GLU 207 CO 0.39 0.78 -0.68 1.03 -0.73 0.00 0.00 179.01 179.80 1s3b s ARG 208 N -4.57 0.79 0.20 1.92 0.52 0.15 -0.76 118.95 117.21 1s3b s ARG 208 Ca -0.08 -1.33 0.03 0.00 -0.52 0.00 0.00 55.73 53.83 1s3b s ARG 208 Cb 0.14 0.06 -0.05 0.00 0.52 0.00 0.00 34.95 35.62 1s3b s ARG 208 CO 0.81 -0.12 -0.02 0.15 0.02 0.00 0.00 175.30 176.14 1s3b s LYS 209 N -3.93 1.24 -0.01 3.54 1.02 -0.63 -0.83 119.74 120.14 1s3b s LYS 209 Ca 0.14 -1.61 -0.24 0.00 0.02 0.00 0.00 55.97 54.28 1s3b s LYS 209 Cb 0.07 -0.52 -0.04 0.00 -0.52 0.00 0.00 37.83 36.81 1s3b s LYS 209 CO -0.05 -0.08 0.73 -0.06 -0.92 0.00 0.00 175.35 174.97 1s3b s PHE 210 N -3.47 3.65 0.08 3.18 0.40 -1.26 -1.17 117.98 119.40 1s3b s PHE 210 Ca 0.26 1.36 -0.31 0.00 -0.60 0.00 0.00 56.93 57.64 1s3b s PHE 210 Cb 0.05 -2.81 -0.09 0.00 0.51 0.00 0.00 43.02 40.68 1s3b s PHE 210 CO 0.06 0.18 1.82 0.08 0.70 0.00 0.00 175.22 178.06 1s3b s VAL 211 N 0.40 2.80 0.00 -0.44 1.01 0.11 -1.71 120.40 122.57 1s3b s VAL 211 Ca 0.38 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1s3b s VAL 211 Cb -0.19 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1s3b s VAL 211 CO 0.20 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.91 1s3b n GLY 212 N 4.27 1.29 0.00 4.51 0.00 -1.26 -4.66 105.19 109.33 1s3b n GLY 212 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1s3b n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s3b n GLY 213 N -2.00 2.38 0.24 -0.02 0.00 -0.69 -4.76 105.19 100.34 1s3b n GLY 213 Ca 0.00 -1.76 0.12 0.00 0.00 0.00 0.00 46.02 44.39 1s3b n GLY 213 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1s3b h SER 214 N 0.00 0.00 -0.19 1.61 4.64 -1.83 -3.04 113.55 114.75 1s3b h SER 214 Ca 0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1s3b h SER 214 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1s3b h SER 214 CO 0.00 0.13 0.26 1.23 -0.87 0.00 0.00 176.83 177.58 1s3b h GLY 215 N 2.42 0.00 2.00 -0.77 0.00 -1.88 -1.62 103.07 103.22 1s3b h GLY 215 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1s3b h GLY 215 CO 0.02 0.00 -0.13 1.46 0.00 0.00 0.00 176.54 177.89 1s3b h GLN 216 N 0.00 0.00 0.48 4.80 4.20 -1.83 -1.83 115.11 120.93 1s3b h GLN 216 Ca 0.09 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 1s3b h GLN 216 Cb 0.62 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1s3b h GLN 216 CO -0.00 0.13 -0.32 0.28 -0.67 0.00 0.00 178.83 178.24 1s3b h VAL 217 N 0.00 0.34 -0.34 -0.54 2.07 -1.53 0.77 116.25 117.01 1s3b h VAL 217 Ca -0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 1s3b h VAL 217 Cb 0.31 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1s3b h VAL 217 CO 0.02 0.00 -0.31 0.28 0.02 0.00 0.00 177.57 177.58 1s3b h SER 218 N -0.78 0.76 -0.65 0.57 0.02 -1.69 -2.66 113.55 109.13 1s3b h SER 218 Ca -0.05 -0.31 -0.05 0.00 -0.84 0.00 0.00 61.79 60.54 1s3b h SER 218 Cb 0.65 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 1s3b h SER 218 CO 0.04 1.02 0.20 -0.33 -1.14 0.00 0.00 176.83 176.61 1s3b h GLU 219 N 0.62 1.01 0.00 3.45 5.08 -1.23 -1.17 114.58 122.35 1s3b h GLU 219 Ca 0.07 -0.22 -0.14 0.00 -1.00 0.00 0.00 59.36 58.07 1s3b h GLU 219 Cb 0.83 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1s3b h GLU 219 CO 0.07 0.89 -0.69 0.00 -1.00 0.00 0.00 179.01 178.28 1s3b h ARG 220 N 0.94 0.00 -0.29 2.33 3.08 -0.77 -0.48 114.38 119.19 1s3b h ARG 220 Ca 0.21 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.10 1s3b h ARG 220 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1s3b h ARG 220 CO -0.01 0.69 -0.47 0.82 -1.07 0.00 0.00 179.97 179.94 1s3b h ILE 221 N 0.00 1.29 -0.98 2.04 2.04 -1.32 -2.40 117.51 118.17 1s3b h ILE 221 Ca -0.01 -1.66 0.02 0.00 1.00 0.00 0.00 64.86 64.21 1s3b h ILE 221 Cb 1.24 1.55 -0.05 0.00 -0.74 0.00 0.00 36.82 38.82 1s3b h ILE 221 CO 0.09 0.54 0.65 -0.03 0.00 0.00 0.00 178.15 179.40 1s3b h MET 222 N 0.62 1.28 -0.56 2.37 4.05 -0.88 -0.50 114.93 121.30 1s3b h MET 222 Ca 0.03 -0.08 0.04 0.00 -0.28 0.00 0.00 59.70 59.41 1s3b h MET 222 Cb 1.04 -0.29 -0.04 0.00 -0.80 0.00 0.00 31.60 31.51 1s3b h MET 222 CO 0.10 0.85 0.32 -0.44 0.23 0.00 0.00 176.91 177.97 1s3b h ASP 223 N 1.32 0.50 -0.69 1.39 3.32 -0.90 0.13 116.42 121.48 1s3b h ASP 223 Ca 0.37 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.36 1s3b h ASP 223 Cb -0.12 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 1s3b h ASP 223 CO -0.09 0.34 0.17 -0.07 -1.72 0.00 0.00 179.24 177.87 1s3b h LEU 224 N 0.62 1.06 0.00 1.55 3.38 -0.87 -3.12 115.31 117.93 1s3b h LEU 224 Ca 0.24 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1s3b h LEU 224 Cb 0.08 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1s3b h LEU 224 CO -0.13 1.02 -0.27 -0.07 0.09 0.00 0.00 178.44 179.07 1s3b h LEU 225 N 1.05 0.00 0.00 1.67 3.38 -0.79 -3.48 115.31 117.13 1s3b h LEU 225 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1s3b h LEU 225 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1s3b h LEU 225 CO 0.00 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.25 1s3b n GLY 226 N 1.14 3.90 0.00 0.83 0.00 0.00 -2.29 105.19 108.77 1s3b n GLY 226 Ca 0.03 0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.23 1s3b n GLY 226 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1s3b n ASP 227 N 7.05 0.00 0.25 1.61 5.75 -1.26 -2.77 116.55 127.18 1s3b n ASP 227 Ca 0.00 0.44 0.14 0.00 -0.01 0.00 0.00 54.79 55.35 1s3b n ASP 227 Cb 0.00 -0.46 0.55 0.00 -1.03 0.00 0.00 41.12 40.18 1s3b n ASP 227 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1s3b h ARG 228 N 0.00 0.00 -5.42 0.11 3.08 -1.77 -3.41 114.38 106.97 1s3b h ARG 228 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 1s3b h ARG 228 Cb 0.18 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.11 1s3b h ARG 228 CO 0.00 0.10 0.01 0.08 -1.07 0.00 0.00 179.97 179.08 1s3b s VAL 229 N -3.62 5.06 -0.35 2.04 1.01 -1.11 -0.92 120.40 122.50 1s3b s VAL 229 Ca 0.01 0.94 -0.06 0.00 0.00 0.00 0.00 61.98 62.87 1s3b s VAL 229 Cb 0.09 -3.85 0.05 0.00 0.00 0.00 0.00 36.38 32.68 1s3b s VAL 229 CO 0.59 0.10 0.13 -0.54 0.00 0.00 0.00 175.10 175.37 1s3b s LYS 230 N 2.19 2.53 0.41 2.72 -0.14 0.62 -4.96 119.74 123.12 1s3b s LYS 230 Ca 0.23 -1.30 -0.13 0.00 -1.36 0.00 0.00 55.97 53.40 1s3b s LYS 230 Cb -0.16 -3.49 -0.07 0.00 -1.68 0.00 0.00 37.83 32.43 1s3b s LYS 230 CO 0.09 -0.75 0.82 -0.51 -0.76 0.00 0.00 175.35 174.24 1s3b s LEU 231 N 1.36 3.83 -1.36 3.17 1.43 -1.26 -1.14 118.68 124.71 1s3b s LEU 231 Ca -0.00 1.28 -0.08 0.00 -1.03 0.00 0.00 54.13 54.30 1s3b s LEU 231 Cb -0.20 -4.16 0.02 0.00 0.03 0.00 0.00 46.19 41.88 1s3b s LEU 231 CO 0.01 -0.40 1.10 -0.62 0.23 0.00 0.00 176.35 176.68 1s3b n GLU 232 N -1.15 -7.23 -3.52 1.70 1.02 0.18 -4.91 120.64 106.74 1s3b n GLU 232 Ca 0.04 0.78 -0.27 0.00 -0.02 0.00 0.00 57.16 57.69 1s3b n GLU 232 Cb 0.54 -5.78 -0.09 0.00 -0.02 0.00 0.00 31.44 26.08 1s3b n GLU 232 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1s3b n ARG 233 N -4.79 1.94 -2.10 3.49 3.00 0.57 -4.75 116.66 114.01 1s3b n ARG 233 Ca -0.04 -4.33 -0.42 0.00 -0.01 0.00 0.00 57.85 53.04 1s3b n ARG 233 Cb 0.58 -2.09 -0.03 0.00 0.00 0.00 0.00 32.46 30.92 1s3b n ARG 233 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 1s3b s PRO 234 N -1.86 4.26 0.07 5.56 0.02 -1.26 -3.77 135.00 138.03 1s3b s PRO 234 Ca 0.35 2.13 -0.30 0.00 0.02 0.00 0.00 61.00 63.19 1s3b s PRO 234 Cb 0.09 -3.46 -0.06 0.00 0.02 0.00 0.00 34.50 31.09 1s3b s PRO 234 CO -0.08 -0.59 1.14 0.08 -0.33 0.00 0.00 177.00 177.22 1s3b s VAL 235 N 2.03 4.14 -0.03 3.83 1.01 -1.26 -0.03 120.40 130.10 1s3b s VAL 235 Ca 0.67 1.59 0.02 0.00 0.00 0.00 0.00 61.98 64.27 1s3b s VAL 235 Cb -0.36 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 1s3b s VAL 235 CO 0.29 0.15 0.06 2.30 0.00 0.00 0.00 175.10 177.91 1s3b n ILE 236 N 3.61 0.00 -3.66 2.22 -5.35 -0.22 -4.54 119.36 111.41 1s3b n ILE 236 Ca 0.07 -0.14 -0.08 0.00 -0.27 0.00 0.00 62.75 62.33 1s3b n ILE 236 Cb 0.47 0.58 -0.08 0.00 -1.74 0.00 0.00 39.64 38.86 1s3b n ILE 236 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1s3b s TYR 237 N -1.93 -0.89 -0.12 4.28 5.04 -1.15 -0.55 117.35 122.03 1s3b s TYR 237 Ca -0.00 1.80 0.01 0.00 -2.44 0.00 0.00 57.07 56.43 1s3b s TYR 237 Cb 0.01 0.49 0.02 0.00 0.35 0.00 0.00 41.96 42.84 1s3b s TYR 237 CO 0.09 -0.46 -0.12 0.42 -1.34 0.00 0.00 175.55 174.14 1s3b s ILE 238 N 1.62 1.31 -0.22 3.14 1.01 -0.71 -0.56 121.20 126.80 1s3b s ILE 238 Ca -0.09 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.05 1s3b s ILE 238 Cb -0.07 -1.25 0.01 0.00 0.01 0.00 0.00 42.46 41.17 1s3b s ILE 238 CO -0.17 0.41 -0.10 -0.62 0.00 0.00 0.00 174.94 174.46 1s3b s ASP 239 N 1.36 3.92 -0.16 3.58 -1.08 0.21 -1.28 116.67 123.22 1s3b s ASP 239 Ca 0.00 -0.63 0.17 0.00 -0.52 0.00 0.00 52.55 51.57 1s3b s ASP 239 Cb -0.13 -1.63 0.43 0.00 -1.46 0.00 0.00 42.92 40.12 1s3b s ASP 239 CO -0.06 -0.05 1.31 0.00 0.52 0.00 0.00 175.17 176.89 1s3b n GLN 240 N 4.70 2.26 0.20 4.34 6.02 0.18 -1.14 117.38 133.93 1s3b n GLN 240 Ca -0.19 -2.72 0.12 0.00 -0.01 0.00 0.00 57.00 54.21 1s3b n GLN 240 Cb 0.49 -1.69 0.17 0.00 1.02 0.00 0.00 30.24 30.23 1s3b n GLN 240 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1s3b h THR 241 N 1.06 0.00 -5.98 5.09 1.35 -1.89 -3.46 112.91 109.08 1s3b h THR 241 Ca 0.00 -0.96 -0.47 0.00 -0.55 0.00 0.00 66.41 64.43 1s3b h THR 241 Cb 1.25 1.91 -0.01 0.00 -1.73 0.00 0.00 68.15 69.57 1s3b h THR 241 CO 0.13 0.00 -0.15 0.54 -0.25 0.00 0.00 175.52 175.79 1s3b n ARG 242 N -3.00 0.71 -0.15 4.72 1.74 -1.26 -5.04 116.66 114.38 1s3b n ARG 242 Ca 0.04 -2.90 -0.06 0.00 -0.77 0.00 0.00 57.85 54.16 1s3b n ARG 242 Cb 0.52 0.04 0.03 0.00 -1.02 0.00 0.00 32.46 32.04 1s3b n ARG 242 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1s3b h GLU 243 N 0.00 0.48 -6.12 5.56 4.81 -1.98 -3.41 114.58 113.92 1s3b h GLU 243 Ca -0.27 -0.03 -0.65 0.00 -0.13 0.00 0.00 59.36 58.28 1s3b h GLU 243 Cb 1.12 -0.11 -0.11 0.00 0.63 0.00 0.00 28.75 30.28 1s3b h GLU 243 CO 0.41 0.32 -0.61 -0.80 -0.73 0.00 0.00 179.01 177.60 1s3b s ASN 244 N -5.50 5.46 0.13 1.04 0.01 -1.26 -4.99 114.94 109.83 1s3b s ASN 244 Ca -0.13 0.04 -0.30 0.00 -0.71 0.00 0.00 52.86 51.76 1s3b s ASN 244 Cb 0.13 -1.48 -0.07 0.00 0.41 0.00 0.00 41.25 40.23 1s3b s ASN 244 CO 0.73 0.23 1.16 -0.69 -1.51 0.00 0.00 177.10 177.03 1s3b s VAL 245 N -1.24 3.86 -0.20 1.60 1.01 0.58 -4.85 120.40 121.16 1s3b s VAL 245 Ca 0.24 1.48 -0.06 0.00 0.00 0.00 0.00 61.98 63.64 1s3b s VAL 245 Cb -0.12 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 1s3b s VAL 245 CO 0.16 0.20 0.04 -0.76 0.00 0.00 0.00 175.10 174.74 1s3b s LEU 246 N 0.22 3.55 -0.19 3.92 1.43 -0.30 -1.06 118.68 126.26 1s3b s LEU 246 Ca 0.54 -0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.58 1s3b s LEU 246 Cb -0.30 -1.91 0.02 0.00 0.03 0.00 0.00 46.19 44.03 1s3b s LEU 246 CO 0.33 0.10 -0.17 -0.69 0.23 0.00 0.00 176.35 176.15 1s3b s VAL 247 N 0.78 2.24 -0.05 -1.59 1.01 0.12 -0.62 120.40 122.29 1s3b s VAL 247 Ca 0.02 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.03 1s3b s VAL 247 Cb -0.14 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 1s3b s VAL 247 CO 0.02 0.46 0.04 -0.70 0.00 0.00 0.00 175.10 174.92 1s3b s GLU 248 N 1.29 3.01 0.33 2.72 2.12 0.28 -0.21 118.70 128.24 1s3b s GLU 248 Ca 0.04 -0.45 0.08 0.00 0.36 0.00 0.00 54.97 55.00 1s3b s GLU 248 Cb -0.14 -2.83 -0.03 0.00 0.26 0.00 0.00 34.13 31.39 1s3b s GLU 248 CO -0.11 0.68 0.24 0.95 -0.54 0.00 0.00 175.26 176.48 1s3b s THR 249 N -1.03 3.50 0.38 -1.70 -4.23 -0.42 -1.06 115.64 111.09 1s3b s THR 249 Ca 0.18 -1.46 0.05 0.00 -1.18 0.00 0.00 61.69 59.28 1s3b s THR 249 Cb -0.12 -3.15 0.26 0.00 1.34 0.00 0.00 72.50 70.83 1s3b s THR 249 CO 0.08 -0.20 2.03 0.25 -0.54 0.00 0.00 174.62 176.24 1s3b h LEU 250 N 1.35 0.57 -1.45 4.79 5.85 -0.77 -1.88 115.31 123.76 1s3b h LEU 250 Ca -0.45 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1s3b h LEU 250 Cb 1.25 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1s3b h LEU 250 CO 0.60 0.43 0.00 -0.46 -0.34 0.00 0.00 178.44 178.66 1s3b n ASN 251 N -4.45 1.86 0.00 1.25 2.04 -1.26 -4.88 115.26 109.82 1s3b n ASN 251 Ca 0.04 -2.17 0.00 0.00 -0.44 0.00 0.00 54.58 52.01 1s3b n ASN 251 Cb 0.07 -0.52 0.00 0.00 -2.53 0.00 0.00 39.78 36.80 1s3b n ASN 251 CO 0.00 0.00 0.00 1.41 -0.44 0.00 0.00 177.26 178.23 1s3b n HIS 252 N 0.11 0.00 -2.63 -2.53 8.25 -0.71 -5.03 115.22 112.68 1s3b n HIS 252 Ca 0.05 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.15 1s3b n HIS 252 Cb 0.42 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.48 1s3b n HIS 252 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1s3b s GLU 253 N -0.16 4.23 -0.08 -0.41 2.02 -1.26 -4.84 118.70 118.22 1s3b s GLU 253 Ca 0.00 1.41 0.04 0.00 0.02 0.00 0.00 54.97 56.44 1s3b s GLU 253 Cb 0.00 -2.51 -0.01 0.00 0.10 0.00 0.00 34.13 31.71 1s3b s GLU 253 CO 0.00 -0.06 -0.22 1.41 0.02 0.00 0.00 175.26 176.41 1s3b s MET 254 N -2.56 2.80 -0.04 1.61 -2.45 -1.26 -1.30 119.30 116.09 1s3b s MET 254 Ca 0.58 -0.84 0.06 0.00 -1.25 0.00 0.00 55.69 54.24 1s3b s MET 254 Cb -0.19 -2.29 -0.01 0.00 1.25 0.00 0.00 34.83 33.59 1s3b s MET 254 CO 0.24 0.34 -0.23 0.71 1.05 0.00 0.00 175.02 177.13 1s3b s TYR 255 N -0.03 2.17 -0.12 4.11 1.51 0.71 -4.33 117.35 121.37 1s3b s TYR 255 Ca -0.07 -0.57 0.01 0.00 -1.01 0.00 0.00 57.07 55.43 1s3b s TYR 255 Cb -0.15 -1.42 -0.01 0.00 -0.11 0.00 0.00 41.96 40.27 1s3b s TYR 255 CO 0.05 -0.15 -0.15 -2.00 -1.11 0.00 0.00 175.55 172.19 1s3b s GLU 256 N -0.25 3.26 0.11 -0.62 2.12 0.22 0.11 118.70 123.66 1s3b s GLU 256 Ca 0.00 -0.72 -0.07 0.00 0.36 0.00 0.00 54.97 54.55 1s3b s GLU 256 Cb -0.12 -2.56 -0.01 0.00 0.26 0.00 0.00 34.13 31.70 1s3b s GLU 256 CO 0.02 0.25 0.18 0.00 -0.54 0.00 0.00 175.26 175.16 1s3b s ALA 257 N 0.25 0.03 0.11 6.30 0.00 -0.22 -0.79 121.76 127.43 1s3b s ALA 257 Ca -0.10 -0.85 -0.05 0.00 0.00 0.00 0.00 51.96 50.96 1s3b s ALA 257 Cb -0.16 0.61 -0.17 0.00 0.00 0.00 0.00 23.12 23.40 1s3b s ALA 257 CO 0.06 -0.53 1.24 0.87 0.00 0.00 0.00 175.76 177.39 1s3b h LYS 258 N 2.75 0.38 -4.06 0.00 1.57 -1.05 0.17 116.57 116.33 1s3b h LYS 258 Ca -0.33 -0.48 -0.11 0.00 -1.87 0.00 0.00 60.65 57.85 1s3b h LYS 258 Cb 1.20 0.15 -0.14 0.00 0.08 0.00 0.00 32.23 33.52 1s3b h LYS 258 CO 0.55 1.16 -0.52 0.71 -0.57 0.00 0.00 179.45 180.79 1s3b s TYR 259 N -3.06 0.40 -0.01 -1.35 1.51 -0.95 -4.64 117.35 109.25 1s3b s TYR 259 Ca -0.06 -0.87 0.04 0.00 -1.01 0.00 0.00 57.07 55.18 1s3b s TYR 259 Cb 0.08 -0.24 -0.01 0.00 -0.11 0.00 0.00 41.96 41.68 1s3b s TYR 259 CO 0.88 -0.50 -0.14 0.08 -1.11 0.00 0.00 175.55 174.76 1s3b s VAL 260 N -3.92 1.11 -0.20 0.71 1.01 -0.47 -1.86 120.40 116.78 1s3b s VAL 260 Ca 0.09 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 1s3b s VAL 260 Cb 0.06 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 1s3b s VAL 260 CO -0.08 0.32 0.02 -0.63 0.00 0.00 0.00 175.10 174.72 1s3b s ILE 261 N -0.27 4.11 -0.49 2.22 1.01 -0.07 -0.39 121.20 127.32 1s3b s ILE 261 Ca 0.04 -0.26 -0.21 0.00 0.00 0.00 0.00 60.65 60.22 1s3b s ILE 261 Cb -0.06 -2.86 0.04 0.00 0.01 0.00 0.00 42.46 39.59 1s3b s ILE 261 CO -0.00 0.42 0.71 -0.55 0.00 0.00 0.00 174.94 175.53 1s3b s SER 262 N 0.96 6.29 -0.49 3.58 0.15 0.54 -0.30 113.70 124.44 1s3b s SER 262 Ca 0.02 -0.55 0.03 0.00 0.70 0.00 0.00 55.95 56.15 1s3b s SER 262 Cb -0.14 -2.34 0.43 0.00 -1.71 0.00 0.00 66.02 62.26 1s3b s SER 262 CO 0.02 -0.94 1.45 0.00 1.20 0.00 0.00 173.24 174.98 1s3b n ALA 263 N 6.54 5.51 -2.46 5.45 0.00 0.35 -0.66 120.51 135.24 1s3b n ALA 263 Ca -0.02 -3.93 -0.25 0.00 0.00 0.00 0.00 53.44 49.24 1s3b n ALA 263 Cb 0.47 -0.90 -0.11 0.00 0.00 0.00 0.00 19.45 18.91 1s3b n ALA 263 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1s3b s ILE 264 N -4.98 2.44 0.26 0.00 -4.36 -1.25 -4.55 121.20 108.76 1s3b s ILE 264 Ca 0.53 -2.30 -0.29 0.00 -0.26 0.00 0.00 60.65 58.33 1s3b s ILE 264 Cb 0.43 -2.25 -0.14 0.00 1.25 0.00 0.00 42.46 41.75 1s3b s ILE 264 CO -0.10 -0.32 1.06 -2.65 0.24 0.00 0.00 174.94 173.18 1s3b n PRO 265 N -0.36 1.35 -0.24 0.37 -0.02 -1.26 -4.77 135.00 130.07 1s3b n PRO 265 Ca -0.07 0.47 0.04 0.00 -2.02 0.00 0.00 63.50 61.92 1s3b n PRO 265 Cb 0.59 -1.89 0.15 0.00 -0.02 0.00 0.00 33.50 32.34 1s3b n PRO 265 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1s3b h PRO 266 N 2.42 0.18 0.00 0.52 0.11 -1.93 -0.13 132.00 133.16 1s3b h PRO 266 Ca -0.41 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.66 1s3b h PRO 266 Cb 1.34 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 1s3b h PRO 266 CO 0.63 0.12 -0.16 0.00 -0.21 0.00 0.00 178.00 178.38 1s3b h THR 267 N 0.18 0.75 0.00 -1.15 1.03 -1.75 -1.68 112.91 110.30 1s3b h THR 267 Ca 0.39 -0.65 0.00 0.00 -0.01 0.00 0.00 66.41 66.14 1s3b h THR 267 Cb 0.66 1.39 0.00 0.00 -1.07 0.00 0.00 68.15 69.13 1s3b h THR 267 CO -0.55 0.16 0.00 0.18 -0.01 0.00 0.00 175.52 175.30 1s3b n LEU 268 N -3.82 0.14 0.32 0.00 4.77 -0.07 -1.49 117.00 116.85 1s3b n LEU 268 Ca -0.02 0.53 0.20 0.00 -0.03 0.00 0.00 56.01 56.69 1s3b n LEU 268 Cb 0.26 -0.51 1.05 0.00 -2.33 0.00 0.00 43.42 41.90 1s3b n LEU 268 CO 0.32 -0.26 1.16 1.23 -1.33 0.00 0.00 177.39 178.52 1s3b h GLY 269 N 2.92 0.00 2.00 -0.72 0.00 -1.30 -1.62 103.07 104.34 1s3b h GLY 269 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1s3b h GLY 269 CO 0.00 0.00 -0.08 -0.33 0.00 0.00 0.00 176.54 176.13 1s3b h MET 270 N 0.00 0.00 0.00 4.80 2.86 -1.46 -2.50 114.93 118.63 1s3b h MET 270 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1s3b h MET 270 Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1s3b h MET 270 CO -0.00 0.08 0.00 1.63 1.06 0.00 0.00 176.91 179.68 1s3b n LYS 271 N -3.57 0.32 -4.39 1.72 5.02 -0.61 -4.68 118.16 111.98 1s3b n LYS 271 Ca -0.02 0.07 -0.34 0.00 -2.02 0.00 0.00 58.31 56.00 1s3b n LYS 271 Cb 0.20 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.59 1s3b n LYS 271 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1s3b s ILE 272 N -2.58 3.99 -0.09 -0.18 1.01 -0.94 -4.60 121.20 117.81 1s3b s ILE 272 Ca 0.22 -0.33 -0.20 0.00 0.00 0.00 0.00 60.65 60.34 1s3b s ILE 272 Cb 0.16 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 1s3b s ILE 272 CO 0.36 0.51 0.55 -1.00 0.00 0.00 0.00 174.94 175.36 1s3b s HIS 273 N 0.14 3.55 -0.08 3.97 3.76 0.28 -4.93 115.29 121.98 1s3b s HIS 273 Ca -0.01 1.03 0.00 0.00 -0.15 0.00 0.00 55.06 55.93 1s3b s HIS 273 Cb -0.13 -2.62 -0.03 0.00 1.11 0.00 0.00 32.58 30.90 1s3b s HIS 273 CO 0.03 0.18 -0.07 -0.06 -0.85 0.00 0.00 174.74 173.96 1s3b s PHE 274 N 0.54 2.94 -0.10 1.40 0.40 -1.26 -1.73 117.98 120.17 1s3b s PHE 274 Ca 0.30 -0.03 -0.02 0.00 -0.60 0.00 0.00 56.93 56.58 1s3b s PHE 274 Cb -0.16 -1.74 0.04 0.00 0.51 0.00 0.00 43.02 41.67 1s3b s PHE 274 CO 0.13 0.28 0.01 1.21 0.70 0.00 0.00 175.22 177.56 1s3b s ASN 275 N -0.67 1.93 1.03 1.36 2.47 -0.41 -3.34 114.94 117.31 1s3b s ASN 275 Ca 0.10 -0.28 -0.13 0.00 0.42 0.00 0.00 52.86 52.98 1s3b s ASN 275 Cb -0.11 -0.47 0.21 0.00 -1.45 0.00 0.00 41.25 39.42 1s3b s ASN 275 CO 0.02 -0.22 1.09 -2.16 -3.72 0.00 0.00 177.10 172.10 1s3b s PRO 276 N 1.95 0.17 0.71 0.43 0.04 -1.26 0.48 135.00 137.52 1s3b s PRO 276 Ca 0.04 0.51 -0.16 0.00 0.04 0.00 0.00 61.00 61.42 1s3b s PRO 276 Cb -0.13 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1s3b s PRO 276 CO -0.06 -2.91 0.98 -2.30 0.04 0.00 0.00 177.00 172.76 1s3b n PRO 277 N -4.30 0.56 -1.50 0.56 -0.02 -1.21 -4.94 135.00 124.15 1s3b n PRO 277 Ca 0.05 0.25 -0.35 0.00 -2.02 0.00 0.00 63.50 61.42 1s3b n PRO 277 Cb 0.57 -2.23 0.09 0.00 -0.02 0.00 0.00 33.50 31.91 1s3b n PRO 277 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1s3b s LEU 278 N -3.12 3.39 0.61 2.45 1.43 -1.26 -4.97 118.68 117.22 1s3b s LEU 278 Ca 0.74 2.48 -0.19 0.00 -1.03 0.00 0.00 54.13 56.13 1s3b s LEU 278 Cb -0.35 -4.60 -0.03 0.00 0.03 0.00 0.00 46.19 41.23 1s3b s LEU 278 CO 0.49 -2.24 1.18 -2.65 0.23 0.00 0.00 176.35 173.36 1s3b n PRO 279 N -2.48 1.13 -0.26 1.29 -0.02 -1.26 -4.64 135.00 128.75 1s3b n PRO 279 Ca 0.15 0.44 0.07 0.00 -2.02 0.00 0.00 63.50 62.13 1s3b n PRO 279 Cb 0.49 -2.39 0.20 0.00 -0.02 0.00 0.00 33.50 31.78 1s3b n PRO 279 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1s3b h MET 280 N 0.69 0.17 -0.32 -0.52 1.85 -1.99 -0.25 114.93 114.57 1s3b h MET 280 Ca -0.50 -0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 58.57 1s3b h MET 280 Cb 1.34 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 33.32 1s3b h MET 280 CO 0.53 0.11 0.14 0.52 -0.40 0.00 0.00 176.91 177.81 1s3b h MET 281 N 0.18 0.46 -0.38 0.39 2.86 -2.00 -1.64 114.93 114.80 1s3b h MET 281 Ca 0.45 -0.08 -0.14 0.00 -2.06 0.00 0.00 59.70 57.87 1s3b h MET 281 Cb 0.82 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 1s3b h MET 281 CO -0.62 0.45 -0.31 -0.09 1.06 0.00 0.00 176.91 177.41 1s3b h ARG 282 N 0.37 0.85 -0.73 1.72 2.43 -1.79 0.28 114.38 117.50 1s3b h ARG 282 Ca 0.11 -0.40 0.14 0.00 -0.81 0.00 0.00 59.98 59.02 1s3b h ARG 282 Cb 0.15 -0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 29.60 1s3b h ARG 282 CO -0.01 1.04 0.29 -0.97 -1.51 0.00 0.00 179.97 178.80 1s3b h ASN 283 N 0.71 0.26 0.55 -3.80 -1.24 -0.67 -2.34 115.58 109.05 1s3b h ASN 283 Ca 0.08 0.11 -0.29 0.00 0.71 0.00 0.00 56.30 56.90 1s3b h ASN 283 Cb 0.86 0.09 -0.00 0.00 0.73 0.00 0.00 38.32 40.00 1s3b h ASN 283 CO 0.08 0.11 -1.39 1.56 -1.29 0.00 0.00 177.43 176.49 1s3b h GLN 284 N 0.43 0.24 -0.69 6.67 4.20 -1.22 -3.36 115.11 121.39 1s3b h GLN 284 Ca 0.40 -0.42 0.10 0.00 0.06 0.00 0.00 58.65 58.79 1s3b h GLN 284 Cb 0.59 0.15 -0.08 0.00 0.30 0.00 0.00 27.48 28.45 1s3b h GLN 284 CO -0.39 1.14 0.31 1.98 -0.67 0.00 0.00 178.83 181.20 1s3b h MET 285 N 0.07 0.51 0.00 1.46 4.05 -0.47 -2.15 114.93 118.40 1s3b h MET 285 Ca -0.19 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.20 1s3b h MET 285 Cb 1.99 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 32.67 1s3b h MET 285 CO 0.18 0.34 0.00 0.44 0.23 0.00 0.00 176.91 178.09 1s3b n ILE 286 N -4.92 0.20 0.76 1.77 -5.35 -0.92 -0.89 119.36 110.01 1s3b n ILE 286 Ca 0.11 0.05 0.11 0.00 -0.27 0.00 0.00 62.75 62.75 1s3b n ILE 286 Cb 0.30 -0.74 0.11 0.00 -1.74 0.00 0.00 39.64 37.57 1s3b n ILE 286 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1s3b n THR 287 N -1.13 0.11 -0.02 7.28 -2.24 -0.81 -4.29 114.28 113.18 1s3b n THR 287 Ca 0.12 -0.56 0.02 0.00 -2.27 0.00 0.00 64.05 61.37 1s3b n THR 287 Cb 0.11 1.34 0.05 0.00 -2.10 0.00 0.00 70.33 69.73 1s3b n THR 287 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1s3b n ARG 288 N 1.25 2.33 -3.54 -0.78 1.74 -0.07 -4.88 116.66 112.71 1s3b n ARG 288 Ca 0.14 -1.53 -0.27 0.00 -0.77 0.00 0.00 57.85 55.42 1s3b n ARG 288 Cb 0.55 -1.10 -0.10 0.00 -1.02 0.00 0.00 32.46 30.79 1s3b n ARG 288 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1s3b n VAL 289 N -0.05 0.17 -1.68 1.55 0.24 -1.24 -4.49 118.33 112.84 1s3b n VAL 289 Ca 0.04 -4.17 -0.30 0.00 -2.04 0.00 0.00 64.34 57.87 1s3b n VAL 289 Cb 0.28 -1.92 0.08 0.00 -1.47 0.00 0.00 33.84 30.81 1s3b n VAL 289 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1s3b s PRO 290 N -0.87 2.35 0.18 7.34 0.04 -1.25 -4.32 135.00 138.48 1s3b s PRO 290 Ca 0.31 0.56 0.04 0.00 0.04 0.00 0.00 61.00 61.95 1s3b s PRO 290 Cb 0.04 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 1s3b s PRO 290 CO -0.16 -1.42 0.30 -0.51 0.04 0.00 0.00 177.00 175.25 1s3b s LEU 291 N -5.63 4.28 0.00 -3.56 1.02 -1.26 -0.60 118.68 112.93 1s3b s LEU 291 Ca 0.60 0.10 -0.16 0.00 0.02 0.00 0.00 54.13 54.69 1s3b s LEU 291 Cb -0.13 -2.84 0.23 0.00 0.02 0.00 0.00 46.19 43.47 1s3b s LEU 291 CO 0.53 0.01 0.85 0.61 0.02 0.00 0.00 176.35 178.37 1s3b n GLY 292 N -0.85 -2.64 3.04 -3.19 0.00 -0.86 -4.77 105.19 95.92 1s3b n GLY 292 Ca -0.08 -1.49 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 1s3b n GLY 292 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s3b s SER 293 N -3.82 2.50 -0.16 1.61 0.01 -0.65 -2.22 113.70 110.97 1s3b s SER 293 Ca 0.55 -0.44 -0.21 0.00 1.31 0.00 0.00 55.95 57.16 1s3b s SER 293 Cb -0.05 -1.10 0.05 0.00 0.21 0.00 0.00 66.02 65.13 1s3b s SER 293 CO 0.42 -0.01 0.56 0.54 0.41 0.00 0.00 173.24 175.16 1s3b s VAL 294 N 1.17 0.01 -0.19 3.43 0.11 -1.26 -0.56 120.40 123.12 1s3b s VAL 294 Ca -0.03 -0.06 -0.02 0.00 -2.93 0.00 0.00 61.98 58.95 1s3b s VAL 294 Cb -0.14 -0.81 -0.01 0.00 -1.53 0.00 0.00 36.38 33.89 1s3b s VAL 294 CO -0.05 -0.03 -0.09 -0.63 -3.33 0.00 0.00 175.10 170.98 1s3b s ILE 295 N -0.16 3.16 -0.19 7.04 1.01 -0.54 -2.02 121.20 129.49 1s3b s ILE 295 Ca -0.04 -0.58 -0.17 0.00 0.00 0.00 0.00 60.65 59.86 1s3b s ILE 295 Cb -0.03 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 1s3b s ILE 295 CO 0.03 0.47 0.46 -0.75 0.00 0.00 0.00 174.94 175.14 1s3b s LYS 296 N 1.07 4.19 -0.06 2.79 2.20 -0.52 -0.75 119.74 128.66 1s3b s LYS 296 Ca 0.00 0.31 0.03 0.00 -0.36 0.00 0.00 55.97 55.96 1s3b s LYS 296 Cb -0.15 -3.54 0.01 0.00 -1.51 0.00 0.00 37.83 32.64 1s3b s LYS 296 CO -0.01 -0.07 -0.15 0.00 -0.36 0.00 0.00 175.35 174.76 1s3b s ILE 298 N 0.39 1.46 -0.20 0.00 1.09 0.94 -0.47 121.20 124.40 1s3b s ILE 298 Ca -0.10 -0.66 -0.07 0.00 -1.10 0.00 0.00 60.65 58.71 1s3b s ILE 298 Cb -0.14 -1.44 -0.04 0.00 -1.06 0.00 0.00 42.46 39.78 1s3b s ILE 298 CO 0.03 0.35 0.06 -0.69 -0.10 0.00 0.00 174.94 174.60 1s3b s VAL 299 N 1.52 4.66 -0.02 2.92 1.01 -0.44 -1.33 120.40 128.72 1s3b s VAL 299 Ca 0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 1s3b s VAL 299 Cb -0.14 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 1s3b s VAL 299 CO -0.10 0.42 0.14 -0.31 0.00 0.00 0.00 175.10 175.26 1s3b s TYR 300 N 0.71 3.45 0.16 5.22 1.51 -0.08 -0.73 117.35 127.59 1s3b s TYR 300 Ca 0.03 0.32 0.02 0.00 -1.01 0.00 0.00 57.07 56.44 1s3b s TYR 300 Cb -0.13 -1.81 -0.05 0.00 -0.11 0.00 0.00 41.96 39.87 1s3b s TYR 300 CO 0.02 0.62 -0.03 0.71 -1.11 0.00 0.00 175.55 175.76 1s3b s TYR 301 N -1.24 1.19 0.22 2.71 1.51 0.16 -0.39 117.35 121.50 1s3b s TYR 301 Ca 0.24 -0.94 -0.09 0.00 -1.01 0.00 0.00 57.07 55.27 1s3b s TYR 301 Cb -0.12 -0.67 0.21 0.00 -0.11 0.00 0.00 41.96 41.27 1s3b s TYR 301 CO 0.15 -0.13 1.86 -0.22 -1.11 0.00 0.00 175.55 176.11 1s3b h LYS 302 N 2.74 0.92 -4.03 -0.62 3.64 -1.85 -3.32 116.57 114.06 1s3b h LYS 302 Ca -0.37 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 58.83 1s3b h LYS 302 Cb 1.20 -0.21 -0.17 0.00 -0.41 0.00 0.00 32.23 32.64 1s3b h LYS 302 CO 0.63 0.61 -0.61 -1.21 -2.27 0.00 0.00 179.45 176.61 1s3b s GLU 303 N -6.11 0.58 -1.38 1.90 2.02 -1.26 -4.71 118.70 109.73 1s3b s GLU 303 Ca -0.13 -0.96 -0.15 0.00 0.02 0.00 0.00 54.97 53.76 1s3b s GLU 303 Cb 0.16 0.21 0.01 0.00 0.10 0.00 0.00 34.13 34.61 1s3b s GLU 303 CO 0.78 -0.13 2.24 -0.35 0.02 0.00 0.00 175.26 177.82 1s3b n PRO 304 N 0.53 2.74 0.29 0.39 -0.04 -1.26 -4.76 135.00 132.88 1s3b n PRO 304 Ca -0.17 -2.47 0.14 0.00 -0.04 0.00 0.00 63.50 60.96 1s3b n PRO 304 Cb 0.59 -3.20 0.87 0.00 -0.04 0.00 0.00 33.50 31.72 1s3b n PRO 304 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1s3b h PHE 305 N 6.16 0.00 -0.13 0.54 -0.00 -1.98 -1.82 116.94 119.72 1s3b h PHE 305 Ca 0.57 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 58.52 1s3b h PHE 305 Cb 0.61 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.55 1s3b h PHE 305 CO 1.47 0.01 -0.03 0.11 -0.00 0.00 0.00 178.31 179.87 1s3b h TRP 306 N 0.00 0.19 -0.09 6.09 0.09 -1.86 -2.38 115.95 117.99 1s3b h TRP 306 Ca -0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 58.89 58.95 1s3b h TRP 306 Cb 0.01 -0.06 -0.01 0.00 0.08 0.00 0.00 29.16 29.19 1s3b h TRP 306 CO 0.00 0.23 -0.07 0.00 0.09 0.00 0.00 178.44 178.69 1s3b h ARG 307 N 0.19 0.13 0.00 0.12 3.08 -1.19 -1.38 114.38 115.32 1s3b h ARG 307 Ca 0.04 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1s3b h ARG 307 Cb 0.18 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1s3b h ARG 307 CO 0.01 0.21 -0.17 0.87 -1.07 0.00 0.00 179.97 179.82 1s3b h LYS 308 N 0.13 0.00 -0.63 0.04 1.57 -1.59 -1.44 116.57 114.65 1s3b h LYS 308 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1s3b h LYS 308 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1s3b h LYS 308 CO 0.01 0.17 0.00 1.63 -0.57 0.00 0.00 179.45 180.69 1s3b n LYS 309 N -3.58 2.94 -3.23 3.15 5.02 -0.61 -4.93 118.16 116.92 1s3b n LYS 309 Ca -0.01 -2.34 -0.20 0.00 -2.02 0.00 0.00 58.31 53.74 1s3b n LYS 309 Cb 0.31 -1.66 0.05 0.00 -0.02 0.00 0.00 35.03 33.71 1s3b n LYS 309 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1s3b n ASP 310 N 1.09 -5.74 -4.46 4.39 2.03 -0.54 -4.98 116.55 108.34 1s3b n ASP 310 Ca 0.21 -0.38 -0.33 0.00 0.52 0.00 0.00 54.79 54.82 1s3b n ASP 310 Cb 0.67 -4.45 -0.13 0.00 -0.72 0.00 0.00 41.12 36.48 1s3b n ASP 310 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1s3b s TYR 311 N -3.20 2.78 -0.53 -0.67 4.12 -0.68 -1.07 117.35 118.10 1s3b s TYR 311 Ca 0.41 -0.29 0.24 0.00 0.02 0.00 0.00 57.07 57.45 1s3b s TYR 311 Cb -0.18 -1.72 0.46 0.00 -1.52 0.00 0.00 41.96 39.00 1s3b s TYR 311 CO 0.50 0.07 1.58 0.00 0.02 0.00 0.00 175.55 177.73 1s3b n GLY 313 N 1.19 0.74 3.68 0.00 0.00 -1.26 -4.32 105.19 105.22 1s3b n GLY 313 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1s3b n GLY 313 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s3b s THR 314 N -2.00 4.59 -0.06 2.61 2.01 -1.26 -3.83 115.64 117.70 1s3b s THR 314 Ca 0.00 1.88 0.02 0.00 0.31 0.00 0.00 61.69 63.90 1s3b s THR 314 Cb 0.00 -4.21 0.02 0.00 0.01 0.00 0.00 72.50 68.32 1s3b s THR 314 CO 0.00 -0.05 -0.09 -0.04 -0.69 0.00 0.00 174.62 173.76 1s3b s MET 315 N 2.45 1.30 -0.37 4.92 1.00 -1.14 -1.22 119.30 126.25 1s3b s MET 315 Ca 0.50 -0.27 -0.09 0.00 0.00 0.00 0.00 55.69 55.83 1s3b s MET 315 Cb -0.19 -1.16 0.04 0.00 0.00 0.00 0.00 34.83 33.51 1s3b s MET 315 CO 0.16 -0.04 0.18 0.42 0.00 0.00 0.00 175.02 175.74 1s3b s ILE 316 N 0.84 4.20 -0.32 2.53 1.01 0.66 -1.45 121.20 128.66 1s3b s ILE 316 Ca -0.12 -1.09 -0.04 0.00 0.00 0.00 0.00 60.65 59.40 1s3b s ILE 316 Cb -0.15 -3.41 0.05 0.00 0.01 0.00 0.00 42.46 38.96 1s3b s ILE 316 CO 0.01 -0.28 0.06 -0.63 0.00 0.00 0.00 174.94 174.10 1s3b s ILE 317 N 1.47 3.35 0.74 2.92 1.01 0.71 -0.18 121.20 131.22 1s3b s ILE 317 Ca 0.01 -1.32 -0.11 0.00 0.00 0.00 0.00 60.65 59.22 1s3b s ILE 317 Cb -0.20 -2.94 0.04 0.00 0.01 0.00 0.00 42.46 39.37 1s3b s ILE 317 CO 0.04 -0.18 1.08 -1.81 0.00 0.00 0.00 174.94 174.08 1s3b s ASP 318 N 1.37 4.80 0.00 3.58 1.01 0.31 -4.46 116.67 123.28 1s3b s ASP 318 Ca -0.03 1.78 0.00 0.00 0.71 0.00 0.00 52.55 55.01 1s3b s ASP 318 Cb -0.20 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.21 1s3b s ASP 318 CO 0.00 -1.83 0.00 0.61 0.21 0.00 0.00 175.17 174.16 1s3b n GLY 319 N -1.37 2.50 0.15 0.21 0.00 -1.26 -4.68 105.19 100.73 1s3b n GLY 319 Ca 0.09 -1.74 -0.04 0.00 0.00 0.00 0.00 46.02 44.32 1s3b n GLY 319 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1s3b h GLU 320 N 0.00 0.17 -0.18 1.61 4.57 -2.02 -3.27 114.58 115.46 1s3b h GLU 320 Ca 0.00 -0.12 -0.10 0.00 -1.18 0.00 0.00 59.36 57.96 1s3b h GLU 320 Cb 0.00 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 1s3b h GLU 320 CO 0.00 0.75 -0.30 0.93 -1.18 0.00 0.00 179.01 179.21 1s3b h GLU 321 N 0.12 0.36 -6.25 1.92 3.07 -2.00 -3.43 114.58 108.37 1s3b h GLU 321 Ca -0.01 -0.14 -0.56 0.00 -0.50 0.00 0.00 59.36 58.15 1s3b h GLU 321 Cb 1.16 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 29.03 1s3b h GLU 321 CO 0.10 0.63 0.87 0.00 -1.40 0.00 0.00 179.01 179.21 1s3b s ALA 322 N -4.38 3.60 0.33 3.43 0.00 -1.23 -4.92 121.76 118.60 1s3b s ALA 322 Ca -0.06 0.66 0.04 0.00 0.00 0.00 0.00 51.96 52.60 1s3b s ALA 322 Cb 0.14 -3.61 0.58 0.00 0.00 0.00 0.00 23.12 20.23 1s3b s ALA 322 CO 0.78 -1.07 1.85 -1.00 0.00 0.00 0.00 175.76 176.32 1s3b h PRO 323 N 8.17 0.50 -5.32 0.00 0.13 -1.90 -3.42 132.00 130.16 1s3b h PRO 323 Ca -0.32 -0.12 -0.66 0.00 -0.87 0.00 0.00 66.00 64.02 1s3b h PRO 323 Cb 1.14 -0.07 -0.29 0.00 0.13 0.00 0.00 31.00 31.92 1s3b h PRO 323 CO 0.93 0.57 -0.81 0.08 -0.23 0.00 0.00 178.00 178.54 1s3b s VAL 324 N -4.88 2.69 -0.46 1.56 1.01 -1.26 -4.32 120.40 114.73 1s3b s VAL 324 Ca -0.07 -0.79 0.22 0.00 0.00 0.00 0.00 61.98 61.34 1s3b s VAL 324 Cb 0.15 -2.10 -0.19 0.00 0.00 0.00 0.00 36.38 34.25 1s3b s VAL 324 CO 0.77 0.54 0.85 0.00 0.00 0.00 0.00 175.10 177.25 1s3b n ALA 325 N 3.54 3.35 -3.53 5.51 0.00 -1.23 -4.67 120.51 123.48 1s3b n ALA 325 Ca -0.18 -0.45 -0.12 0.00 0.00 0.00 0.00 53.44 52.69 1s3b n ALA 325 Cb 0.53 -0.89 -0.10 0.00 0.00 0.00 0.00 19.45 18.99 1s3b n ALA 325 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1s3b s TYR 326 N -3.28 -0.60 0.14 0.00 5.04 -1.25 -0.21 117.35 117.19 1s3b s TYR 326 Ca 0.00 1.35 0.04 0.00 -2.44 0.00 0.00 57.07 56.02 1s3b s TYR 326 Cb 0.14 0.26 -0.04 0.00 0.35 0.00 0.00 41.96 42.66 1s3b s TYR 326 CO 0.84 -0.31 -0.10 0.95 -1.34 0.00 0.00 175.55 175.59 1s3b s THR 327 N 0.86 1.11 0.04 4.34 -4.23 -0.53 -2.86 115.64 114.37 1s3b s THR 327 Ca -0.05 -2.01 0.01 0.00 -1.18 0.00 0.00 61.69 58.46 1s3b s THR 327 Cb -0.06 -1.79 -0.02 0.00 1.34 0.00 0.00 72.50 71.97 1s3b s THR 327 CO -0.07 -0.74 -0.05 -0.76 -0.54 0.00 0.00 174.62 172.46 1s3b s LEU 328 N -3.08 2.29 0.14 4.79 1.43 -0.33 -2.88 118.68 121.04 1s3b s LEU 328 Ca 0.15 -0.60 -0.31 0.00 -1.03 0.00 0.00 54.13 52.34 1s3b s LEU 328 Cb 0.02 -0.02 -0.10 0.00 0.03 0.00 0.00 46.19 46.12 1s3b s LEU 328 CO 0.00 -0.29 1.75 -0.62 0.23 0.00 0.00 176.35 177.41 1s3b s ASP 329 N -1.74 6.46 -0.11 2.29 -1.08 -1.25 -0.68 116.67 120.56 1s3b s ASP 329 Ca -0.10 2.73 0.14 0.00 -0.52 0.00 0.00 52.55 54.80 1s3b s ASP 329 Cb -0.08 -2.58 0.33 0.00 -1.46 0.00 0.00 42.92 39.14 1s3b s ASP 329 CO -0.01 -0.96 1.24 -0.67 0.52 0.00 0.00 175.17 175.29 1s3b n ASP 330 N 5.05 2.93 -4.73 -0.34 2.03 0.37 -4.55 116.55 117.31 1s3b n ASP 330 Ca 0.17 -2.73 -0.40 0.00 0.52 0.00 0.00 54.79 52.34 1s3b n ASP 330 Cb 0.38 -0.37 0.02 0.00 -0.72 0.00 0.00 41.12 40.42 1s3b n ASP 330 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1s3b n THR 331 N -0.67 2.69 -1.71 5.18 -1.04 -1.21 -4.57 114.28 112.96 1s3b n THR 331 Ca 0.15 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.05 61.30 1s3b n THR 331 Cb 0.64 -1.68 0.07 0.00 -1.82 0.00 0.00 70.33 67.53 1s3b n THR 331 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1s3b s LYS 332 N -2.32 2.53 0.55 -2.82 -0.14 -0.75 -4.88 119.74 111.91 1s3b s LYS 332 Ca 0.61 1.84 0.26 0.00 -1.36 0.00 0.00 55.97 57.32 1s3b s LYS 332 Cb -0.48 -1.87 1.47 0.00 -1.68 0.00 0.00 37.83 35.27 1s3b s LYS 332 CO 0.58 -1.55 2.01 -1.00 -0.76 0.00 0.00 175.35 174.62 1s3b h PRO 333 N 0.30 0.00 0.00 -1.68 0.13 -1.93 0.15 132.00 128.96 1s3b h PRO 333 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1s3b h PRO 333 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1s3b h PRO 333 CO 0.52 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.68 1s3b n GLU 334 N -4.13 0.12 -0.23 0.86 4.71 -1.26 -4.89 120.64 115.82 1s3b n GLU 334 Ca 0.07 0.25 0.00 0.00 -0.01 0.00 0.00 57.16 57.47 1s3b n GLU 334 Cb 0.54 -1.68 0.00 0.00 -1.01 0.00 0.00 31.44 29.29 1s3b n GLU 334 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1s3b n GLY 335 N 0.58 0.61 3.98 0.62 0.00 0.51 -5.07 105.19 106.43 1s3b n GLY 335 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 1s3b n GLY 335 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s3b s ASN 336 N -2.99 4.85 -1.43 1.61 2.20 -1.26 -4.60 114.94 113.32 1s3b s ASN 336 Ca 0.00 -1.07 -0.05 0.00 -0.94 0.00 0.00 52.86 50.80 1s3b s ASN 336 Cb 0.00 0.46 0.03 0.00 -2.00 0.00 0.00 41.25 39.74 1s3b s ASN 336 CO 0.00 -1.30 0.66 -1.22 -2.94 0.00 0.00 177.10 172.30 1s3b n TYR 337 N -2.08 -1.88 -1.60 1.54 4.02 -1.26 -1.80 117.16 114.11 1s3b n TYR 337 Ca 0.09 0.82 -0.48 0.00 -0.01 0.00 0.00 57.90 58.32 1s3b n TYR 337 Cb 0.63 -3.93 -0.03 0.00 -0.02 0.00 0.00 39.34 35.99 1s3b n TYR 337 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1s3b n ALA 338 N -4.41 -0.39 -3.53 -0.72 0.00 -1.25 -4.13 120.51 106.08 1s3b n ALA 338 Ca -0.20 0.45 -0.16 0.00 0.00 0.00 0.00 53.44 53.53 1s3b n ALA 338 Cb 0.63 -2.07 -0.05 0.00 0.00 0.00 0.00 19.45 17.96 1s3b n ALA 338 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s3b s ALA 339 N -0.27 -1.80 -0.15 0.00 0.00 -1.26 -0.66 121.76 117.61 1s3b s ALA 339 Ca 0.71 1.33 -0.00 0.00 0.00 0.00 0.00 51.96 54.00 1s3b s ALA 339 Cb -0.80 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.20 1s3b s ALA 339 CO 0.53 -0.38 -0.14 0.42 0.00 0.00 0.00 175.76 176.18 1s3b s ILE 340 N -1.35 2.80 -0.12 0.00 -1.09 0.09 -0.48 121.20 121.05 1s3b s ILE 340 Ca -0.08 -0.73 -0.13 0.00 -2.23 0.00 0.00 60.65 57.48 1s3b s ILE 340 Cb -0.00 -2.18 -0.05 0.00 -1.58 0.00 0.00 42.46 38.65 1s3b s ILE 340 CO 0.06 0.51 0.29 -0.32 -1.23 0.00 0.00 174.94 174.26 1s3b s MET 341 N 0.72 4.03 0.04 2.79 -2.45 0.14 -1.33 119.30 123.25 1s3b s MET 341 Ca -0.06 0.13 0.01 0.00 -1.25 0.00 0.00 55.69 54.52 1s3b s MET 341 Cb -0.15 -3.34 -0.03 0.00 1.25 0.00 0.00 34.83 32.56 1s3b s MET 341 CO 0.01 0.44 -0.06 0.20 1.05 0.00 0.00 175.02 176.67 1s3b s GLY 342 N -0.15 0.46 -0.16 2.11 0.00 0.38 -1.18 107.32 108.77 1s3b s GLY 342 Ca 0.18 -0.85 -0.04 0.00 0.00 0.00 0.00 44.72 44.01 1s3b s GLY 342 CO 0.06 -0.92 -0.04 -1.36 0.00 0.00 0.00 173.10 170.84 1s3b s PHE 343 N -2.04 3.02 -0.32 1.90 2.99 -1.14 -0.96 117.98 121.44 1s3b s PHE 343 Ca -0.07 -0.32 -0.14 0.00 0.00 0.00 0.00 56.93 56.39 1s3b s PHE 343 Cb -0.06 -1.96 -0.02 0.00 0.00 0.00 0.00 43.02 40.98 1s3b s PHE 343 CO -0.02 -0.06 0.34 0.42 -0.00 0.00 0.00 175.22 175.90 1s3b s ILE 344 N 0.41 5.19 -0.08 0.64 1.01 0.07 -3.56 121.20 124.89 1s3b s ILE 344 Ca -0.04 0.13 -0.01 0.00 0.00 0.00 0.00 60.65 60.74 1s3b s ILE 344 Cb -0.14 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 1s3b s ILE 344 CO 0.03 -0.00 -0.02 -0.76 0.00 0.00 0.00 174.94 174.19 1s3b s LEU 345 N 1.98 3.46 0.00 2.97 1.43 -1.26 -1.47 118.68 125.79 1s3b s LEU 345 Ca 0.11 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 1s3b s LEU 345 Cb -0.16 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.27 1s3b s LEU 345 CO 0.11 0.37 0.00 0.00 0.23 0.00 0.00 176.35 177.06 1s3b n ALA 346 N 2.13 0.00 0.28 4.21 0.00 0.28 -1.54 120.51 125.86 1s3b n ALA 346 Ca -0.18 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.37 1s3b n ALA 346 Cb 0.53 0.00 0.77 0.00 0.00 0.00 0.00 19.45 20.75 1s3b n ALA 346 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1s3b h HIS 347 N 0.00 0.00 -0.06 0.00 2.07 -1.90 -1.18 115.15 114.07 1s3b h HIS 347 Ca 0.00 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.42 1s3b h HIS 347 Cb 0.00 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 1s3b h HIS 347 CO 0.00 0.01 -0.44 0.87 -3.07 0.00 0.00 177.93 175.30 1s3b h LYS 348 N 0.00 0.14 -0.62 5.12 1.57 -1.64 -0.18 116.57 120.97 1s3b h LYS 348 Ca -0.00 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1s3b h LYS 348 Cb 0.02 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1s3b h LYS 348 CO 0.00 0.56 0.23 0.00 -0.57 0.00 0.00 179.45 179.67 1s3b h ALA 349 N 1.43 0.80 -0.22 3.86 0.00 -1.21 0.48 119.26 124.40 1s3b h ALA 349 Ca 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1s3b h ALA 349 Cb 0.82 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1s3b h ALA 349 CO 0.06 0.44 0.08 0.00 0.00 0.00 0.00 179.25 179.83 1s3b h ARG 350 N 0.87 0.33 -0.22 0.00 -0.00 -1.31 -2.27 114.38 111.78 1s3b h ARG 350 Ca 0.20 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.98 59.57 1s3b h ARG 350 Cb 0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 29.97 30.15 1s3b h ARG 350 CO -0.01 0.41 -0.04 -0.22 0.00 0.00 0.00 179.97 180.11 1s3b h LYS 351 N 0.19 0.41 -0.00 0.04 3.64 -0.88 -3.30 116.57 116.68 1s3b h LYS 351 Ca 0.07 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1s3b h LYS 351 Cb 0.21 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1s3b h LYS 351 CO -0.00 0.64 -0.38 1.28 -2.27 0.00 0.00 179.45 178.72 1s3b n LEU 352 N -4.62 0.38 0.29 5.20 4.77 0.14 -3.47 117.00 119.70 1s3b n LEU 352 Ca -0.04 0.12 0.17 0.00 -0.03 0.00 0.00 56.01 56.23 1s3b n LEU 352 Cb 0.27 -0.31 0.88 0.00 -2.33 0.00 0.00 43.42 41.93 1s3b n LEU 352 CO 0.38 0.09 1.05 0.00 -1.33 0.00 0.00 177.39 177.59 1s3b h ALA 353 N 3.01 1.14 0.00 -1.18 0.00 -1.48 -2.33 119.26 118.42 1s3b h ALA 353 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1s3b h ALA 353 Cb 0.50 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1s3b h ALA 353 CO 0.00 0.06 -0.08 0.00 0.00 0.00 0.00 179.25 179.23 1s3b h ARG 354 N 0.00 0.00 -7.51 0.00 3.08 -1.74 -3.45 114.38 104.76 1s3b h ARG 354 Ca -0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.57 1s3b h ARG 354 Cb 0.26 0.00 0.09 0.00 0.08 0.00 0.00 29.97 30.40 1s3b h ARG 354 CO 0.01 0.08 0.40 -0.51 -1.07 0.00 0.00 179.97 178.88 1s3b s LEU 355 N -6.70 2.76 0.69 3.04 1.43 -0.88 -5.08 118.68 113.95 1s3b s LEU 355 Ca -0.01 0.97 -0.11 0.00 -1.03 0.00 0.00 54.13 53.94 1s3b s LEU 355 Cb 0.11 -3.65 0.01 0.00 0.03 0.00 0.00 46.19 42.69 1s3b s LEU 355 CO 0.55 -1.55 1.08 0.42 0.23 0.00 0.00 176.35 177.08 1s3b s THR 356 N -3.43 3.80 0.24 5.49 -4.23 -1.26 -4.91 115.64 111.34 1s3b s THR 356 Ca 0.60 0.58 -0.05 0.00 -1.18 0.00 0.00 61.69 61.64 1s3b s THR 356 Cb -0.11 -3.53 0.20 0.00 1.34 0.00 0.00 72.50 70.40 1s3b s THR 356 CO 0.50 -0.76 1.80 0.50 -0.54 0.00 0.00 174.62 176.12 1s3b h LYS 357 N -0.62 0.72 -0.54 3.99 3.64 -1.96 -1.39 116.57 120.41 1s3b h LYS 357 Ca -0.45 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 58.81 1s3b h LYS 357 Cb 1.24 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 1s3b h LYS 357 CO 0.62 0.48 0.02 0.93 -2.27 0.00 0.00 179.45 179.23 1s3b h GLU 358 N 0.74 0.92 -0.51 1.90 3.07 -1.99 -1.38 114.58 117.32 1s3b h GLU 358 Ca 0.38 -0.26 -0.11 0.00 -0.50 0.00 0.00 59.36 58.88 1s3b h GLU 358 Cb 0.36 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.15 1s3b h GLU 358 CO -0.25 0.90 -0.10 0.93 -1.40 0.00 0.00 179.01 179.09 1s3b h GLU 359 N 0.85 0.94 -0.43 2.33 5.08 -1.77 -1.94 114.58 119.65 1s3b h GLU 359 Ca 0.16 -0.33 -0.10 0.00 -1.00 0.00 0.00 59.36 58.09 1s3b h GLU 359 Cb 0.48 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1s3b h GLU 359 CO 0.02 0.99 -0.13 0.00 -1.00 0.00 0.00 179.01 178.89 1s3b h ARG 360 N 0.84 0.85 -0.40 2.33 3.08 -1.05 -2.39 114.38 117.64 1s3b h ARG 360 Ca 0.14 -0.34 0.06 0.00 0.07 0.00 0.00 59.98 59.90 1s3b h ARG 360 Cb 0.64 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.60 1s3b h ARG 360 CO 0.04 0.97 0.10 1.25 -1.07 0.00 0.00 179.97 181.27 1s3b h LEU 361 N 0.67 0.06 -0.43 3.04 5.85 -1.11 -0.59 115.31 122.81 1s3b h LEU 361 Ca 0.10 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.92 1s3b h LEU 361 Cb 0.68 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 1s3b h LEU 361 CO 0.05 0.07 0.20 0.50 -0.34 0.00 0.00 178.44 178.92 1s3b h LYS 362 N 0.24 0.39 -0.74 1.25 3.64 -1.25 -0.15 116.57 119.97 1s3b h LYS 362 Ca 0.19 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1s3b h LYS 362 Cb 0.21 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1s3b h LYS 362 CO -0.23 0.26 0.37 0.87 -2.27 0.00 0.00 179.45 178.45 1s3b h LYS 363 N 0.40 1.05 -0.29 1.90 1.57 -1.01 -1.34 116.57 118.86 1s3b h LYS 363 Ca 0.19 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1s3b h LYS 363 Cb 0.11 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1s3b h LYS 363 CO -0.15 0.82 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.38 1s3b h LEU 364 N 1.03 0.60 -0.59 2.94 4.07 -0.74 -1.90 115.31 120.72 1s3b h LEU 364 Ca 0.25 -0.39 -0.03 0.00 0.08 0.00 0.00 57.88 57.80 1s3b h LEU 364 Cb 0.10 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.65 1s3b h LEU 364 CO -0.03 0.85 0.26 0.00 -1.08 0.00 0.00 178.44 178.43 1s3b h GLU 366 N 0.82 1.12 -0.08 0.00 5.08 -1.23 -0.20 114.58 120.08 1s3b h GLU 366 Ca 0.20 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1s3b h GLU 366 Cb 0.17 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1s3b h GLU 366 CO -0.02 0.99 0.04 1.25 -1.00 0.00 0.00 179.01 180.27 1s3b h LEU 367 N 1.06 0.11 -1.13 1.33 5.85 -1.01 -2.45 115.31 119.07 1s3b h LEU 367 Ca 0.22 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1s3b h LEU 367 Cb 0.37 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1s3b h LEU 367 CO 0.00 0.21 0.18 1.88 -0.34 0.00 0.00 178.44 180.38 1s3b h TYR 368 N -0.00 0.81 -0.69 1.25 0.99 -0.64 -0.61 116.97 118.08 1s3b h TYR 368 Ca 0.03 -0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1s3b h TYR 368 Cb 0.13 -0.24 -0.03 0.00 1.00 0.00 0.00 36.73 37.59 1s3b h TYR 368 CO -0.03 0.65 0.44 0.00 -0.00 0.00 0.00 178.16 179.23 1s3b h ALA 369 N 1.42 0.87 0.17 3.88 0.00 -0.94 0.10 119.26 124.76 1s3b h ALA 369 Ca 0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1s3b h ALA 369 Cb 0.21 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1s3b h ALA 369 CO -0.01 0.31 -0.08 0.87 0.00 0.00 0.00 179.25 180.34 1s3b h LYS 370 N 0.93 -0.22 -0.29 0.00 1.57 -0.91 0.12 116.57 117.79 1s3b h LYS 370 Ca 0.25 0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.87 1s3b h LYS 370 Cb -0.09 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1s3b h LYS 370 CO -0.05 0.02 -0.49 0.28 -0.57 0.00 0.00 179.45 178.63 1s3b h VAL 371 N -0.43 1.28 0.00 0.50 2.07 -0.98 -2.82 116.25 115.87 1s3b h VAL 371 Ca -0.02 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 65.82 1s3b h VAL 371 Cb 0.33 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1s3b h VAL 371 CO 0.04 0.55 -0.15 0.18 0.02 0.00 0.00 177.57 178.20 1s3b n LEU 372 N -4.07 0.22 -3.57 2.57 4.77 0.34 -4.81 117.00 112.45 1s3b n LEU 372 Ca -0.04 0.37 -0.21 0.00 -0.03 0.00 0.00 56.01 56.09 1s3b n LEU 372 Cb 0.60 -0.41 0.07 0.00 -2.33 0.00 0.00 43.42 41.35 1s3b n LEU 372 CO 0.49 0.02 0.11 0.61 -1.33 0.00 0.00 177.39 177.29 1s3b n GLY 373 N 1.48 -0.41 2.82 -0.72 0.00 0.30 -5.00 105.19 103.66 1s3b n GLY 373 Ca 0.06 0.15 -0.17 0.00 0.00 0.00 0.00 46.02 46.07 1s3b n GLY 373 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s3b s SER 374 N -3.99 0.60 0.44 1.61 0.01 -0.46 -5.00 113.70 106.90 1s3b s SER 374 Ca 0.22 0.26 0.30 0.00 1.31 0.00 0.00 55.95 58.03 1s3b s SER 374 Cb -0.10 0.15 1.33 0.00 0.21 0.00 0.00 66.02 67.62 1s3b s SER 374 CO 0.76 -0.22 1.90 -0.07 0.41 0.00 0.00 173.24 176.02 1s3b h LEU 375 N 8.07 0.00 -2.17 2.44 3.38 -1.95 -2.65 115.31 122.43 1s3b h LEU 375 Ca -0.22 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1s3b h LEU 375 Cb 1.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1s3b h LEU 375 CO 0.23 0.00 -0.07 -0.33 0.09 0.00 0.00 178.44 178.36 1s3b h GLU 376 N 0.00 0.00 0.00 1.13 5.08 -1.96 -1.74 114.58 117.09 1s3b h GLU 376 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1s3b h GLU 376 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1s3b h GLU 376 CO 0.00 0.07 0.00 0.00 -1.00 0.00 0.00 179.01 178.08 1s3b h ALA 377 N 1.93 1.00 -0.07 3.43 0.00 -1.80 -2.57 119.26 121.19 1s3b h ALA 377 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1s3b h ALA 377 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1s3b h ALA 377 CO 0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.54 1s3b n LEU 378 N -2.54 1.13 -3.07 0.00 4.77 -0.65 -4.36 117.00 112.27 1s3b n LEU 378 Ca 0.01 -0.43 -0.26 0.00 -0.03 0.00 0.00 56.01 55.29 1s3b n LEU 378 Cb 0.20 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.20 1s3b n LEU 378 CO 0.20 0.21 0.11 -0.62 -1.33 0.00 0.00 177.39 175.96 1s3b n GLU 379 N -0.08 2.92 -2.08 3.23 4.71 -0.97 -5.06 120.64 123.31 1s3b n GLU 379 Ca 0.18 -4.72 -0.37 0.00 -0.01 0.00 0.00 57.16 52.24 1s3b n GLU 379 Cb 0.27 -2.20 0.02 0.00 -1.01 0.00 0.00 31.44 28.51 1s3b n GLU 379 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1s3b s PRO 380 N -3.15 3.35 -0.02 3.49 0.04 -1.26 -4.69 135.00 132.76 1s3b s PRO 380 Ca 0.46 1.87 0.20 0.00 0.04 0.00 0.00 61.00 63.57 1s3b s PRO 380 Cb 0.25 -2.19 -0.27 0.00 0.04 0.00 0.00 34.50 32.33 1s3b s PRO 380 CO -0.11 -0.92 0.58 1.33 0.04 0.00 0.00 177.00 177.93 1s3b n VAL 381 N -1.02 0.00 -3.54 -0.36 0.24 0.47 -4.99 118.33 109.14 1s3b n VAL 381 Ca 0.10 -0.30 -0.07 0.00 -2.04 0.00 0.00 64.34 62.03 1s3b n VAL 381 Cb 0.48 0.40 -0.02 0.00 -1.47 0.00 0.00 33.84 33.23 1s3b n VAL 381 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1s3b s HIS 382 N -3.19 -0.30 -0.13 6.34 5.65 -1.23 -5.01 115.29 117.43 1s3b s HIS 382 Ca -0.02 0.15 -0.08 0.00 0.25 0.00 0.00 55.06 55.35 1s3b s HIS 382 Cb 0.14 0.55 0.05 0.00 -1.18 0.00 0.00 32.58 32.13 1s3b s HIS 382 CO 0.82 -0.57 0.32 -0.47 -0.65 0.00 0.00 174.74 174.20 1s3b s TYR 383 N -3.10 -0.42 0.03 3.88 5.04 -1.26 -0.90 117.35 120.62 1s3b s TYR 383 Ca 0.06 0.97 0.04 0.00 -2.44 0.00 0.00 57.07 55.71 1s3b s TYR 383 Cb -0.01 0.14 -0.02 0.00 0.35 0.00 0.00 41.96 42.42 1s3b s TYR 383 CO -0.07 -0.25 -0.13 -1.21 -1.34 0.00 0.00 175.55 172.55 1s3b s GLU 384 N 0.97 0.89 0.08 4.97 0.41 -0.44 -5.01 118.70 120.57 1s3b s GLU 384 Ca -0.07 -0.71 -0.15 0.00 -0.41 0.00 0.00 54.97 53.63 1s3b s GLU 384 Cb -0.07 -0.88 0.03 0.00 -1.78 0.00 0.00 34.13 31.42 1s3b s GLU 384 CO -0.07 0.22 0.36 -1.83 -0.49 0.00 0.00 175.26 173.45 1s3b s GLU 385 N -1.05 0.95 -0.10 1.61 -1.05 -1.26 -0.04 118.70 117.76 1s3b s GLU 385 Ca 0.01 -0.59 -0.04 0.00 -0.15 0.00 0.00 54.97 54.20 1s3b s GLU 385 Cb -0.07 0.41 0.05 0.00 -0.44 0.00 0.00 34.13 34.08 1s3b s GLU 385 CO 0.01 -0.34 0.20 0.21 0.95 0.00 0.00 175.26 176.30 1s3b s LYS 386 N -3.14 0.10 -0.47 -4.83 2.20 -0.29 -4.99 119.74 108.32 1s3b s LYS 386 Ca -0.01 0.60 -0.20 0.00 -0.36 0.00 0.00 55.97 56.00 1s3b s LYS 386 Cb 0.01 -0.16 0.04 0.00 -1.51 0.00 0.00 37.83 36.20 1s3b s LYS 386 CO -0.07 -0.27 0.63 1.21 -0.36 0.00 0.00 175.35 176.49 1s3b s ASN 387 N 2.08 6.27 0.10 1.43 3.84 -1.26 -1.44 114.94 125.96 1s3b s ASN 387 Ca -0.01 -0.59 0.27 0.00 0.21 0.00 0.00 52.86 52.74 1s3b s ASN 387 Cb -0.12 -2.30 1.01 0.00 -0.55 0.00 0.00 41.25 39.29 1s3b s ASN 387 CO -0.07 -0.83 1.82 0.79 -2.79 0.00 0.00 177.10 176.03 1s3b n TRP 388 N 6.23 0.43 0.29 0.43 7.02 -0.86 -3.13 117.44 127.86 1s3b n TRP 388 Ca -0.04 0.13 0.19 0.00 -1.02 0.00 0.00 57.50 56.76 1s3b n TRP 388 Cb 0.47 -0.71 0.84 0.00 -2.42 0.00 0.00 31.31 29.48 1s3b n TRP 388 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1s3b n GLU 390 N -3.10 0.72 -2.69 0.00 0.28 -1.18 -4.72 120.64 109.93 1s3b n GLU 390 Ca -0.00 -0.37 -0.43 0.00 -0.16 0.00 0.00 57.16 56.20 1s3b n GLU 390 Cb 0.24 -1.49 -0.03 0.00 1.43 0.00 0.00 31.44 31.59 1s3b n GLU 390 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1s3b s GLU 391 N -2.54 3.67 0.31 3.44 0.41 -1.09 -4.92 118.70 117.99 1s3b s GLU 391 Ca 0.25 0.43 0.02 0.00 -0.41 0.00 0.00 54.97 55.26 1s3b s GLU 391 Cb 0.19 -3.90 0.59 0.00 -1.78 0.00 0.00 34.13 29.23 1s3b s GLU 391 CO 0.52 -1.28 1.89 0.37 -0.49 0.00 0.00 175.26 176.27 1s3b h GLN 392 N 9.09 0.93 -0.64 1.61 4.15 -1.91 -0.04 115.11 128.31 1s3b h GLN 392 Ca -0.23 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.13 1s3b h GLN 392 Cb 1.07 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.55 1s3b h GLN 392 CO 1.08 0.61 0.00 0.66 -1.93 0.00 0.00 178.83 179.25 1s3b n TYR 393 N -4.52 1.46 0.00 3.99 4.02 -1.26 -4.31 117.16 116.53 1s3b n TYR 393 Ca 0.15 -0.62 0.00 0.00 -0.01 0.00 0.00 57.90 57.42 1s3b n TYR 393 Cb 0.27 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.35 1s3b n TYR 393 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1s3b n SER 394 N 1.07 0.11 0.00 7.72 7.64 -1.02 -4.93 113.62 124.21 1s3b n SER 394 Ca 0.26 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1s3b n SER 394 Cb 0.89 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.09 1s3b n SER 394 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s3b n GLY 395 N 3.00 1.13 0.00 0.23 0.00 -0.06 -4.89 105.19 104.59 1s3b n GLY 395 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1s3b n GLY 395 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s3b n GLY 396 N -2.00 0.62 3.38 -0.02 0.00 -1.18 -4.42 105.19 101.58 1s3b n GLY 396 Ca 0.00 -1.81 -0.12 0.00 0.00 0.00 0.00 46.02 44.10 1s3b n GLY 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s3b h TYR 398 N 2.19 0.00 -3.13 0.00 0.05 -1.86 -3.10 116.97 111.12 1s3b h TYR 398 Ca -0.34 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.34 1s3b h TYR 398 Cb 1.28 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.01 1s3b h TYR 398 CO 0.27 0.92 0.11 -2.37 -1.05 0.00 0.00 178.16 176.04 1s3b n THR 399 N -3.31 0.00 -2.61 -2.88 5.66 -1.26 -4.95 114.28 104.92 1s3b n THR 399 Ca -0.00 -1.06 -0.42 0.00 -3.05 0.00 0.00 64.05 59.52 1s3b n THR 399 Cb 0.91 0.86 -0.04 0.00 -1.55 0.00 0.00 70.33 70.51 1s3b n THR 399 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1s3b s THR 400 N -2.43 4.40 0.23 1.09 2.01 -1.26 -2.02 115.64 117.65 1s3b s THR 400 Ca 0.17 1.85 0.08 0.00 0.31 0.00 0.00 61.69 64.10 1s3b s THR 400 Cb -0.03 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 1s3b s THR 400 CO 0.13 0.21 0.04 -0.72 -0.69 0.00 0.00 174.62 173.58 1s3b s TYR 401 N 0.53 2.84 -0.25 4.92 -0.85 0.23 -4.96 117.35 119.81 1s3b s TYR 401 Ca 0.52 -0.16 -0.05 0.00 -0.52 0.00 0.00 57.07 56.86 1s3b s TYR 401 Cb -0.25 -1.31 -0.00 0.00 0.38 0.00 0.00 41.96 40.78 1s3b s TYR 401 CO 0.30 0.56 -0.01 -0.06 -1.52 0.00 0.00 175.55 174.83 1s3b s PHE 402 N -2.04 3.03 0.97 -3.49 0.40 -1.26 -3.77 117.98 111.82 1s3b s PHE 402 Ca 0.30 -0.99 -0.12 0.00 -0.60 0.00 0.00 56.93 55.53 1s3b s PHE 402 Cb -0.08 -2.15 0.17 0.00 0.51 0.00 0.00 43.02 41.48 1s3b s PHE 402 CO 0.20 -0.56 1.09 -2.14 0.70 0.00 0.00 175.22 174.51 1s3b s PRO 403 N 1.47 0.64 0.23 0.24 0.02 -1.26 -0.53 135.00 135.82 1s3b s PRO 403 Ca 0.04 0.95 -0.32 0.00 0.02 0.00 0.00 61.00 61.69 1s3b s PRO 403 Cb -0.15 -1.73 -0.13 0.00 0.02 0.00 0.00 34.50 32.50 1s3b s PRO 403 CO -0.01 -2.70 1.45 -0.35 -0.33 0.00 0.00 177.00 175.06 1s3b n PRO 404 N -4.21 2.09 -0.01 5.54 -0.04 -1.26 -2.74 135.00 134.37 1s3b n PRO 404 Ca 0.07 0.75 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 1s3b n PRO 404 Cb 0.54 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 1s3b n PRO 404 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s3b n GLY 405 N 2.36 1.13 0.12 0.55 0.00 0.34 -4.93 105.19 104.76 1s3b n GLY 405 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 1s3b n GLY 405 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1s3b h ILE 406 N 0.00 1.04 -0.88 -0.61 1.08 -1.79 -3.26 117.51 113.09 1s3b h ILE 406 Ca 0.00 -2.40 0.00 0.00 -0.39 0.00 0.00 64.86 62.07 1s3b h ILE 406 Cb 0.00 2.73 -0.04 0.00 -3.07 0.00 0.00 36.82 36.43 1s3b h ILE 406 CO 0.00 0.71 0.56 0.25 -0.69 0.00 0.00 178.15 178.97 1s3b h LEU 407 N -0.30 1.03 -0.60 1.44 5.85 -1.92 0.22 115.31 121.03 1s3b h LEU 407 Ca -0.30 -0.05 -0.15 0.00 0.84 0.00 0.00 57.88 58.22 1s3b h LEU 407 Cb 1.76 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.52 1s3b h LEU 407 CO 0.06 0.77 -0.58 0.71 -0.34 0.00 0.00 178.44 179.06 1s3b h THR 408 N 1.20 1.36 0.09 1.05 1.35 -1.93 0.31 112.91 116.34 1s3b h THR 408 Ca 0.32 -1.90 -0.27 0.00 -0.55 0.00 0.00 66.41 64.00 1s3b h THR 408 Cb -0.09 1.91 -0.01 0.00 -1.73 0.00 0.00 68.15 68.23 1s3b h THR 408 CO -0.06 0.57 -1.33 1.56 -0.25 0.00 0.00 175.52 176.01 1s3b h GLN 409 N 0.27 0.18 0.00 4.72 1.08 -1.48 -3.40 115.11 116.48 1s3b h GLN 409 Ca -0.00 -0.31 0.00 0.00 -1.45 0.00 0.00 58.65 56.89 1s3b h GLN 409 Cb 1.10 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.65 1s3b h GLN 409 CO 0.10 1.08 0.00 0.66 -0.95 0.00 0.00 178.83 179.71 1s3b n TYR 410 N -3.43 0.00 -0.21 2.96 4.02 0.74 -4.83 117.16 116.42 1s3b n TYR 410 Ca -0.10 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.85 1s3b n TYR 410 Cb 1.01 0.00 0.33 0.00 -0.02 0.00 0.00 39.34 40.66 1s3b n TYR 410 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1s3b h GLY 411 N 0.00 1.05 2.00 2.72 0.00 -0.96 -1.77 103.07 106.11 1s3b h GLY 411 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1s3b h GLY 411 CO 0.00 0.24 0.00 0.07 0.00 0.00 0.00 176.54 176.85 1s3b h ARG 412 N 0.82 0.00 0.00 4.80 0.11 -1.88 -2.53 114.38 115.70 1s3b h ARG 412 Ca 0.33 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.38 1s3b h ARG 412 Cb 0.25 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.33 1s3b h ARG 412 CO -0.11 0.00 -0.17 0.28 0.10 0.00 0.00 179.97 180.07 1s3b h VAL 413 N 0.00 0.30 -0.54 0.08 2.07 -1.69 -3.38 116.25 113.10 1s3b h VAL 413 Ca 0.00 -1.30 0.11 0.00 0.82 0.00 0.00 66.70 66.33 1s3b h VAL 413 Cb 0.33 2.03 -0.10 0.00 -1.52 0.00 0.00 31.29 32.03 1s3b h VAL 413 CO 0.00 0.16 -0.15 -0.07 0.02 0.00 0.00 177.57 177.53 1s3b h LEU 414 N 0.00 -0.55 -3.09 2.57 3.38 -1.57 -2.38 115.31 113.68 1s3b h LEU 414 Ca -0.00 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1s3b h LEU 414 Cb 1.02 0.35 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1s3b h LEU 414 CO 0.02 -0.19 0.00 -2.11 0.09 0.00 0.00 178.44 176.25 1s3b n ARG 415 N -5.39 2.00 -2.18 1.13 1.85 -1.26 -4.88 116.66 107.93 1s3b n ARG 415 Ca 0.05 -2.62 -0.42 0.00 -1.00 0.00 0.00 57.85 53.87 1s3b n ARG 415 Cb 0.29 -1.60 -0.03 0.00 -1.05 0.00 0.00 32.46 30.08 1s3b n ARG 415 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 1s3b s GLN 416 N -2.73 4.24 0.54 2.89 0.74 -0.90 -4.65 119.66 119.80 1s3b s GLN 416 Ca 0.34 1.99 -0.22 0.00 0.05 0.00 0.00 55.36 57.52 1s3b s GLN 416 Cb 0.29 -3.72 -0.05 0.00 1.10 0.00 0.00 33.01 30.63 1s3b s GLN 416 CO 0.05 -0.68 1.36 -2.14 -0.55 0.00 0.00 175.29 173.33 1s3b s PRO 417 N 3.04 3.19 -0.49 1.67 0.02 -1.26 -4.85 135.00 136.31 1s3b s PRO 417 Ca 0.65 2.24 -0.02 0.00 0.02 0.00 0.00 61.00 63.89 1s3b s PRO 417 Cb -0.31 -2.28 0.13 0.00 0.02 0.00 0.00 34.50 32.06 1s3b s PRO 417 CO 0.26 -1.15 0.29 0.08 -0.33 0.00 0.00 177.00 176.14 1s3b s VAL 418 N -1.30 3.35 0.00 3.83 1.01 -0.35 -4.97 120.40 121.96 1s3b s VAL 418 Ca 0.71 -2.47 0.00 0.00 0.00 0.00 0.00 61.98 60.21 1s3b s VAL 418 Cb -0.40 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1s3b s VAL 418 CO 0.48 -0.76 0.00 -0.67 0.00 0.00 0.00 175.10 174.15 1s3b n ASP 419 N 4.09 0.00 -0.90 3.32 -0.08 -1.26 -1.05 116.55 120.67 1s3b n ASP 419 Ca 0.02 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.38 1s3b n ASP 419 Cb 0.40 0.00 0.22 0.00 2.34 0.00 0.00 41.12 44.07 1s3b n ASP 419 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1s3b n ARG 420 N 0.00 2.90 -3.48 -0.67 1.74 -1.26 -4.91 116.66 110.99 1s3b n ARG 420 Ca 0.00 -2.32 -0.38 0.00 -0.77 0.00 0.00 57.85 54.39 1s3b n ARG 420 Cb 0.00 -1.43 -0.08 0.00 -1.02 0.00 0.00 32.46 29.93 1s3b n ARG 420 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1s3b s ILE 421 N -1.18 5.25 0.17 0.55 1.01 -0.21 -1.37 121.20 125.41 1s3b s ILE 421 Ca 0.33 0.51 0.07 0.00 0.00 0.00 0.00 60.65 61.56 1s3b s ILE 421 Cb 0.18 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 1s3b s ILE 421 CO 0.20 0.26 0.01 -0.31 0.00 0.00 0.00 174.94 175.10 1s3b s TYR 422 N 1.40 2.86 -0.20 3.97 1.51 0.47 -1.21 117.35 126.15 1s3b s TYR 422 Ca 0.14 -0.13 -0.01 0.00 -1.01 0.00 0.00 57.07 56.07 1s3b s TYR 422 Cb -0.15 -1.39 0.01 0.00 -0.11 0.00 0.00 41.96 40.33 1s3b s TYR 422 CO 0.07 0.52 -0.14 -0.06 -1.11 0.00 0.00 175.55 174.83 1s3b s PHE 423 N -1.73 2.85 0.00 2.71 0.40 -1.26 -0.34 117.98 120.61 1s3b s PHE 423 Ca 0.28 -1.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.21 1s3b s PHE 423 Cb -0.09 -1.99 0.00 0.00 0.51 0.00 0.00 43.02 41.45 1s3b s PHE 423 CO 0.19 -0.71 0.00 0.00 0.70 0.00 0.00 175.22 175.39 1s3b n ALA 424 N 4.68 0.00 0.00 5.36 0.00 0.17 -4.72 120.51 126.00 1s3b n ALA 424 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1s3b n ALA 424 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1s3b n ALA 424 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s3b n GLY 425 N 5.00 -0.34 0.34 0.00 0.00 -1.26 -4.51 105.19 104.42 1s3b n GLY 425 Ca 0.00 -1.41 0.17 0.00 0.00 0.00 0.00 46.02 44.78 1s3b n GLY 425 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s3b h THR 426 N 0.00 0.65 0.00 2.61 1.03 -1.84 -0.78 112.91 114.58 1s3b h THR 426 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1s3b h THR 426 Cb 0.00 0.82 -0.00 0.00 -1.07 0.00 0.00 68.15 67.90 1s3b h THR 426 CO 0.00 0.00 -0.01 -0.33 -0.01 0.00 0.00 175.52 175.17 1s3b h GLU 427 N 0.00 0.00 -0.15 0.00 3.07 -1.89 -1.65 114.58 113.96 1s3b h GLU 427 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 1s3b h GLU 427 Cb 0.62 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 1s3b h GLU 427 CO -0.00 0.01 0.00 0.25 -1.40 0.00 0.00 179.01 177.87 1s3b n THR 428 N -3.24 0.18 -1.60 1.13 -2.24 -0.30 -4.94 114.28 103.27 1s3b n THR 428 Ca -0.02 -0.48 -0.31 0.00 -2.27 0.00 0.00 64.05 60.97 1s3b n THR 428 Cb 0.12 0.90 0.06 0.00 -2.10 0.00 0.00 70.33 69.31 1s3b n THR 428 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s3b s ALA 429 N -1.82 2.58 -0.66 6.98 0.00 -0.62 -4.89 121.76 123.34 1s3b s ALA 429 Ca 0.34 -0.04 0.07 0.00 0.00 0.00 0.00 51.96 52.33 1s3b s ALA 429 Cb 0.20 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 20.18 1s3b s ALA 429 CO 0.30 -1.34 0.53 0.25 0.00 0.00 0.00 175.76 175.50 1s3b n THR 430 N -3.19 0.00 -3.67 0.00 -2.24 -1.26 -4.56 114.28 99.35 1s3b n THR 430 Ca 0.07 -0.43 -0.18 0.00 -2.27 0.00 0.00 64.05 61.24 1s3b n THR 430 Cb 0.55 1.09 -0.17 0.00 -2.10 0.00 0.00 70.33 69.69 1s3b n THR 430 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1s3b s HIS 431 N -1.07 -0.05 -1.44 4.78 5.65 -1.26 -4.74 115.29 117.17 1s3b s HIS 431 Ca 0.06 0.41 -0.06 0.00 0.25 0.00 0.00 55.06 55.72 1s3b s HIS 431 Cb 0.06 -0.37 0.03 0.00 -1.18 0.00 0.00 32.58 31.12 1s3b s HIS 431 CO 0.17 -0.22 0.52 0.91 -0.65 0.00 0.00 174.74 175.47 1s3b n TRP 432 N 5.24 -1.86 -1.66 3.88 7.02 -0.45 -3.93 117.44 125.68 1s3b n TRP 432 Ca -0.05 0.47 -0.44 0.00 -1.02 0.00 0.00 57.50 56.46 1s3b n TRP 432 Cb 0.50 -3.82 -0.02 0.00 -2.42 0.00 0.00 31.31 25.56 1s3b n TRP 432 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1s3b n SER 433 N -2.39 2.40 0.00 -0.99 2.88 -1.26 -1.58 113.62 112.67 1s3b n SER 433 Ca -0.08 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 1s3b n SER 433 Cb 0.59 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 1s3b n SER 433 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1s3b n GLY 434 N 1.41 3.05 3.78 0.46 0.00 -1.22 -4.95 105.19 107.72 1s3b n GLY 434 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 1s3b n GLY 434 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s3b s TYR 435 N -2.84 2.64 0.33 1.61 1.51 -0.62 -4.66 117.35 115.33 1s3b s TYR 435 Ca 0.00 -0.56 0.03 0.00 -1.01 0.00 0.00 57.07 55.53 1s3b s TYR 435 Cb 0.00 -2.01 0.62 0.00 -0.11 0.00 0.00 41.96 40.45 1s3b s TYR 435 CO 0.00 0.10 1.94 0.52 -1.11 0.00 0.00 175.55 177.01 1s3b h MET 436 N 1.32 0.89 -0.28 -0.62 2.86 -1.90 -1.90 114.93 115.30 1s3b h MET 436 Ca -0.42 -0.05 0.05 0.00 -2.06 0.00 0.00 59.70 57.21 1s3b h MET 436 Cb 1.26 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 32.67 1s3b h MET 436 CO 0.66 0.59 0.01 1.49 1.06 0.00 0.00 176.91 180.72 1s3b h GLU 437 N 0.91 0.09 -0.55 1.72 4.57 -1.93 -1.95 114.58 117.46 1s3b h GLU 437 Ca 0.34 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.50 1s3b h GLU 437 Cb 0.18 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 1s3b h GLU 437 CO -0.11 0.06 0.29 0.78 -1.18 0.00 0.00 179.01 178.85 1s3b h GLY 438 N 0.10 0.80 0.94 1.92 0.00 -0.89 -1.69 103.07 104.26 1s3b h GLY 438 Ca 0.13 -0.35 0.02 0.00 0.00 0.00 0.00 47.33 47.13 1s3b h GLY 438 CO -0.22 0.34 0.36 0.00 0.00 0.00 0.00 176.54 177.02 1s3b h ALA 439 N 1.56 0.72 -0.24 3.60 0.00 -0.67 -0.47 119.26 123.76 1s3b h ALA 439 Ca 0.19 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1s3b h ALA 439 Cb 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1s3b h ALA 439 CO -0.03 0.11 0.02 0.28 0.00 0.00 0.00 179.25 179.63 1s3b h VAL 440 N 0.72 1.24 -0.41 0.00 2.07 -0.86 -1.11 116.25 117.90 1s3b h VAL 440 Ca 0.22 -0.82 0.06 0.00 0.82 0.00 0.00 66.70 66.98 1s3b h VAL 440 Cb -0.03 1.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 1s3b h VAL 440 CO -0.07 0.26 0.08 -0.08 0.02 0.00 0.00 177.57 177.78 1s3b h GLU 441 N 0.21 0.20 -0.38 1.57 4.81 -1.07 -1.69 114.58 118.23 1s3b h GLU 441 Ca 0.07 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.13 1s3b h GLU 441 Cb 0.36 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1s3b h GLU 441 CO 0.01 0.13 -0.39 0.00 -0.73 0.00 0.00 179.01 178.03 1s3b h ALA 442 N 1.31 0.55 -0.33 2.92 0.00 -0.97 -1.34 119.26 121.40 1s3b h ALA 442 Ca 0.20 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1s3b h ALA 442 Cb 0.24 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1s3b h ALA 442 CO -0.26 0.67 0.07 0.78 0.00 0.00 0.00 179.25 180.50 1s3b h GLY 443 N 0.75 0.58 1.52 0.00 0.00 -0.99 -0.27 103.07 104.66 1s3b h GLY 443 Ca 0.06 -0.38 -0.15 0.00 0.00 0.00 0.00 47.33 46.86 1s3b h GLY 443 CO 0.10 0.35 -0.53 0.83 0.00 0.00 0.00 176.54 177.28 1s3b h GLU 444 N 0.38 0.51 -0.32 4.80 5.08 -1.30 -1.32 114.58 122.42 1s3b h GLU 444 Ca 0.10 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 1s3b h GLU 444 Cb 0.32 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1s3b h GLU 444 CO 0.00 0.92 -0.01 -0.09 -1.00 0.00 0.00 179.01 178.83 1s3b h ARG 445 N 0.40 0.57 -0.66 2.33 2.43 -1.12 -1.01 114.38 117.32 1s3b h ARG 445 Ca 0.01 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 58.97 1s3b h ARG 445 Cb 1.06 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.53 1s3b h ARG 445 CO 0.10 0.71 0.34 0.00 -1.51 0.00 0.00 179.97 179.61 1s3b h ALA 446 N 0.84 0.85 -0.48 2.80 0.00 -0.98 -0.69 119.26 121.60 1s3b h ALA 446 Ca 0.09 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1s3b h ALA 446 Cb 0.46 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1s3b h ALA 446 CO 0.02 0.40 0.24 0.00 0.00 0.00 0.00 179.25 179.90 1s3b h ALA 447 N 1.16 0.60 -0.08 0.00 0.00 -1.10 -2.58 119.26 117.27 1s3b h ALA 447 Ca 0.23 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 1s3b h ALA 447 Cb 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1s3b h ALA 447 CO -0.03 -0.11 -0.35 0.00 0.00 0.00 0.00 179.25 178.75 1s3b h ARG 448 N 0.47 0.15 -0.90 0.00 3.08 -0.78 -1.48 114.38 114.92 1s3b h ARG 448 Ca 0.21 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.24 1s3b h ARG 448 Cb 0.12 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 1s3b h ARG 448 CO -0.15 0.49 0.58 0.93 -1.07 0.00 0.00 179.97 180.75 1s3b h GLU 449 N 0.13 1.07 -0.30 0.04 5.08 -0.75 0.68 114.58 120.53 1s3b h GLU 449 Ca 0.02 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 1s3b h GLU 449 Cb 0.69 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1s3b h GLU 449 CO 0.05 0.71 -0.29 0.82 -1.00 0.00 0.00 179.01 179.30 1s3b h ILE 450 N 1.10 1.30 -0.84 3.13 2.04 -1.13 -0.44 117.51 122.66 1s3b h ILE 450 Ca 0.37 -1.46 0.04 0.00 1.00 0.00 0.00 64.86 64.81 1s3b h ILE 450 Cb 0.06 1.55 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 1s3b h ILE 450 CO -0.14 0.47 0.56 -0.07 0.00 0.00 0.00 178.15 178.97 1s3b h LEU 451 N 0.49 0.89 -0.33 1.44 3.38 -0.85 -0.19 115.31 120.14 1s3b h LEU 451 Ca 0.05 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1s3b h LEU 451 Cb 0.86 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1s3b h LEU 451 CO 0.07 0.61 -0.12 -0.74 0.09 0.00 0.00 178.44 178.35 1s3b h HIS 452 N 1.03 0.77 -0.09 1.13 2.76 -0.70 0.99 115.15 121.04 1s3b h HIS 452 Ca 0.34 -0.18 0.02 0.00 -2.20 0.00 0.00 60.37 58.35 1s3b h HIS 452 Cb 0.06 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 28.83 1s3b h HIS 452 CO -0.00 0.86 0.07 0.00 -1.30 0.00 0.00 177.93 177.56 1s3b h ALA 453 N 0.79 2.03 -0.01 5.26 0.00 -0.41 0.31 119.26 127.23 1s3b h ALA 453 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1s3b h ALA 453 Cb 0.64 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1s3b h ALA 453 CO 0.04 -0.05 -0.04 -1.33 0.00 0.00 0.00 179.25 177.87 1s3b n MET 454 N -4.52 1.15 -1.14 0.00 2.00 -0.15 -4.92 117.12 109.54 1s3b n MET 454 Ca -0.01 -0.44 -0.05 0.00 0.00 0.00 0.00 57.70 57.20 1s3b n MET 454 Cb 0.14 -1.49 -0.02 0.00 0.00 0.00 0.00 33.22 31.85 1s3b n MET 454 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1s3b n GLY 455 N 1.16 0.76 0.10 3.03 0.00 0.10 -4.93 105.19 105.40 1s3b n GLY 455 Ca 0.19 -0.65 -0.02 0.00 0.00 0.00 0.00 46.02 45.54 1s3b n GLY 455 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s3b h LYS 456 N 0.13 0.00 -4.59 1.61 1.57 -1.00 -3.47 116.57 110.82 1s3b h LYS 456 Ca -0.10 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.43 1s3b h LYS 456 Cb 0.37 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.50 1s3b h LYS 456 CO 0.15 0.54 -0.72 0.96 -0.57 0.00 0.00 179.45 179.81 1s3b s ILE 457 N -2.84 0.59 0.75 1.86 -4.36 -1.19 -4.98 121.20 111.03 1s3b s ILE 457 Ca -0.00 -1.44 -0.11 0.00 -0.26 0.00 0.00 60.65 58.84 1s3b s ILE 457 Cb 0.08 -1.06 0.04 0.00 1.25 0.00 0.00 42.46 42.77 1s3b s ILE 457 CO 0.79 -0.60 1.08 -2.16 0.24 0.00 0.00 174.94 174.29 1s3b s PRO 458 N -2.55 2.49 0.41 0.37 0.04 -1.26 -4.34 135.00 130.15 1s3b s PRO 458 Ca -0.01 1.06 0.13 0.00 0.04 0.00 0.00 61.00 62.21 1s3b s PRO 458 Cb -0.03 -1.93 0.96 0.00 0.04 0.00 0.00 34.50 33.53 1s3b s PRO 458 CO -0.02 -1.45 1.93 1.49 0.04 0.00 0.00 177.00 178.99 1s3b h GLU 459 N -0.98 0.50 -0.04 4.56 4.81 -1.99 -1.66 114.58 119.79 1s3b h GLU 459 Ca -0.44 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 58.77 1s3b h GLU 459 Cb 1.23 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.49 1s3b h GLU 459 CO 0.54 0.33 0.11 0.22 -0.73 0.00 0.00 179.01 179.48 1s3b h ASP 460 N 0.51 0.00 -0.08 1.04 3.58 -1.96 -2.75 116.42 116.76 1s3b h ASP 460 Ca 0.36 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.81 1s3b h ASP 460 Cb 0.67 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.72 1s3b h ASP 460 CO -0.12 0.00 0.00 -0.62 -2.88 0.00 0.00 179.24 175.62 1s3b n GLU 461 N -3.26 2.11 0.02 0.28 1.02 -0.62 -4.41 120.64 115.78 1s3b n GLU 461 Ca -0.02 -1.88 -0.12 0.00 -0.02 0.00 0.00 57.16 55.12 1s3b n GLU 461 Cb 0.19 -1.43 -0.08 0.00 -0.02 0.00 0.00 31.44 30.10 1s3b n GLU 461 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1s3b h ILE 462 N 4.29 1.10 -3.72 -3.67 2.04 -1.61 -3.40 117.51 112.54 1s3b h ILE 462 Ca 0.00 -0.29 -0.63 0.00 1.00 0.00 0.00 64.86 64.95 1s3b h ILE 462 Cb 0.92 1.28 -0.15 0.00 -0.74 0.00 0.00 36.82 38.13 1s3b h ILE 462 CO 0.00 0.07 -0.42 0.26 0.00 0.00 0.00 178.15 178.06 1s3b s TRP 463 N -5.71 3.27 -0.09 1.37 0.52 -1.26 -4.63 118.94 112.42 1s3b s TRP 463 Ca -0.14 0.26 0.04 0.00 0.02 0.00 0.00 56.10 56.28 1s3b s TRP 463 Cb 0.05 -2.40 0.00 0.00 -1.15 0.00 0.00 33.47 29.97 1s3b s TRP 463 CO 0.66 -0.09 -0.22 -1.14 0.02 0.00 0.00 176.95 176.19 1s3b s GLN 464 N 1.56 2.68 0.74 4.98 0.74 -1.26 -5.03 119.66 124.06 1s3b s GLN 464 Ca 0.10 -0.78 -0.11 0.00 0.05 0.00 0.00 55.36 54.62 1s3b s GLN 464 Cb -0.15 -2.08 0.04 0.00 1.10 0.00 0.00 33.01 31.92 1s3b s GLN 464 CO 0.08 0.18 1.09 -1.54 -0.55 0.00 0.00 175.29 174.55 1s3b s SER 465 N 0.33 4.76 -0.10 6.67 1.04 -1.26 -5.06 113.70 120.07 1s3b s SER 465 Ca -0.16 1.81 0.02 0.00 0.48 0.00 0.00 55.95 58.11 1s3b s SER 465 Cb -0.17 -2.52 0.01 0.00 0.10 0.00 0.00 66.02 63.44 1s3b s SER 465 CO 0.07 -1.87 -0.18 -0.70 0.98 0.00 0.00 173.24 171.55 1s3b s GLU 466 N -4.79 2.47 0.49 4.02 2.56 -1.26 -5.12 118.70 117.06 1s3b s GLU 466 Ca 0.61 -0.66 -0.23 0.00 0.00 0.00 0.00 54.97 54.69 1s3b s GLU 466 Cb -0.17 -2.00 -0.07 0.00 2.00 0.00 0.00 34.13 33.90 1s3b s GLU 466 CO 0.53 0.02 1.31 -2.14 -0.56 0.00 0.00 175.26 174.43 1s3b s PRO 467 N 0.75 3.51 0.32 4.30 0.02 -1.26 -4.95 135.00 137.69 1s3b s PRO 467 Ca -0.11 2.14 -0.29 0.00 0.02 0.00 0.00 61.00 62.76 1s3b s PRO 467 Cb -0.16 -2.44 -0.10 0.00 0.02 0.00 0.00 34.50 31.81 1s3b s PRO 467 CO 0.02 -0.86 1.41 -2.00 -0.33 0.00 0.00 177.00 175.24 1s3b s GLU 468 N -2.67 4.25 0.29 5.54 2.12 -1.26 -4.88 118.70 122.09 1s3b s GLU 468 Ca 0.65 2.36 -0.30 0.00 0.36 0.00 0.00 54.97 58.05 1s3b s GLU 468 Cb -0.38 -3.05 -0.12 0.00 0.26 0.00 0.00 34.13 30.85 1s3b s GLU 468 CO 0.46 -0.38 1.59 0.45 -0.54 0.00 0.00 175.26 176.84 1s3b n SER 469 N 1.24 3.80 0.10 -1.70 2.88 -1.26 -4.92 113.62 113.76 1s3b n SER 469 Ca 0.03 1.15 -0.02 0.00 -1.33 0.00 0.00 58.87 58.69 1s3b n SER 469 Cb 0.40 -1.59 -0.05 0.00 -0.75 0.00 0.00 64.21 62.23 1s3b n SER 469 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 1s3b h VAL 470 N 3.33 1.29 0.07 2.46 -1.51 -2.01 -3.32 116.25 116.56 1s3b h VAL 470 Ca -0.47 -2.83 -0.24 0.00 -1.23 0.00 0.00 66.70 61.93 1s3b h VAL 470 Cb 1.23 2.63 -0.01 0.00 -2.13 0.00 0.00 31.29 33.01 1s3b h VAL 470 CO 0.79 0.73 -1.12 0.44 -1.23 0.00 0.00 177.57 177.19 1s3b h ASP 471 N 0.00 0.23 -2.48 4.19 5.19 -2.02 -3.39 116.42 118.14 1s3b h ASP 471 Ca -0.01 -0.24 -0.60 0.00 -0.62 0.00 0.00 57.03 55.56 1s3b h ASP 471 Cb 1.59 -0.07 -0.41 0.00 0.18 0.00 0.00 39.33 40.61 1s3b h ASP 471 CO 0.10 1.18 -0.74 0.52 -3.12 0.00 0.00 179.24 177.18 1s3b n VAL 472 N -3.46 1.00 -2.32 -1.35 0.31 -1.25 -5.11 118.33 106.16 1s3b n VAL 472 Ca -0.04 -4.60 -0.36 0.00 -0.01 0.00 0.00 64.34 59.33 1s3b n VAL 472 Cb 0.98 -2.03 -0.01 0.00 -0.91 0.00 0.00 33.84 31.86 1s3b n VAL 472 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1s3b s PRO 473 N -1.50 3.67 -0.24 5.55 0.04 -1.25 -4.54 135.00 136.74 1s3b s PRO 473 Ca 0.33 1.65 -0.11 0.00 0.04 0.00 0.00 61.00 62.92 1s3b s PRO 473 Cb 0.07 -2.26 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 1s3b s PRO 473 CO -0.11 -0.60 0.16 0.00 0.04 0.00 0.00 177.00 176.49 1s3b s ALA 474 N -1.67 3.62 0.22 8.56 0.00 -1.26 -4.78 121.76 126.44 1s3b s ALA 474 Ca 0.66 -0.87 -0.23 0.00 0.00 0.00 0.00 51.96 51.53 1s3b s ALA 474 Cb -0.25 -2.31 -0.08 0.00 0.00 0.00 0.00 23.12 20.47 1s3b s ALA 474 CO 0.30 -0.16 0.78 -0.65 0.00 0.00 0.00 175.76 176.03 1s3b s GLN 475 N 0.99 4.41 0.63 0.00 -1.52 -1.26 -5.05 119.66 117.86 1s3b s GLN 475 Ca 0.08 1.04 -0.17 0.00 -1.95 0.00 0.00 55.36 54.36 1s3b s GLN 475 Cb -0.13 -3.00 -0.01 0.00 -0.22 0.00 0.00 33.01 29.65 1s3b s GLN 475 CO 0.04 0.44 1.19 -1.25 -0.25 0.00 0.00 175.29 175.45 1s3b s PRO 476 N -1.70 2.78 -0.20 2.91 0.04 -1.26 -4.98 135.00 132.59 1s3b s PRO 476 Ca 0.42 1.72 -0.25 0.00 0.04 0.00 0.00 61.00 62.93 1s3b s PRO 476 Cb -0.19 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 1s3b s PRO 476 CO 0.23 -1.33 0.81 0.42 0.04 0.00 0.00 177.00 177.17 1s3b s ILE 477 N -1.82 4.88 0.22 0.56 -1.09 -1.26 -5.05 121.20 117.64 1s3b s ILE 477 Ca 0.75 1.56 0.10 0.00 -2.23 0.00 0.00 60.65 60.83 1s3b s ILE 477 Cb -0.28 -4.11 -0.04 0.00 -1.58 0.00 0.00 42.46 36.45 1s3b s ILE 477 CO 0.37 0.00 -0.12 0.42 -1.23 0.00 0.00 174.94 174.38 1s3b s THR 478 N 2.34 2.96 0.20 2.92 -4.23 -1.26 -5.15 115.64 113.42 1s3b s THR 478 Ca 0.36 -1.92 0.08 0.00 -1.18 0.00 0.00 61.69 59.04 1s3b s THR 478 Cb -0.16 -2.50 -0.05 0.00 1.34 0.00 0.00 72.50 71.13 1s3b s THR 478 CO 0.11 -0.22 -0.16 0.42 -0.54 0.00 0.00 174.62 174.23 1s3b s THR 479 N -1.97 1.82 0.40 3.99 -4.23 -1.26 -5.15 115.64 109.25 1s3b s THR 479 Ca 0.26 -2.15 -0.03 0.00 -1.18 0.00 0.00 61.69 58.59 1s3b s THR 479 Cb -0.07 -2.01 -0.04 0.00 1.34 0.00 0.00 72.50 71.72 1s3b s THR 479 CO 0.15 -0.50 0.67 0.42 -0.54 0.00 0.00 174.62 174.81 1s3b s THR 480 N -2.68 5.00 0.24 3.99 -4.23 -1.26 -4.98 115.64 111.72 1s3b s THR 480 Ca 0.21 -0.06 -0.04 0.00 -1.18 0.00 0.00 61.69 60.62 1s3b s THR 480 Cb -0.02 -3.85 0.21 0.00 1.34 0.00 0.00 72.50 70.18 1s3b s THR 480 CO 0.07 -0.67 1.77 0.15 -0.54 0.00 0.00 174.62 175.41 1s3b h PHE 481 N 0.63 0.68 -0.51 3.99 3.57 -2.01 -1.81 116.94 121.47 1s3b h PHE 481 Ca -0.48 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 60.95 1s3b h PHE 481 Cb 1.21 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 1s3b h PHE 481 CO 0.55 0.20 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.71 1s3b h LEU 482 N 0.60 0.94 -1.10 0.59 3.38 -1.97 -1.95 115.31 115.80 1s3b h LEU 482 Ca 0.40 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1s3b h LEU 482 Cb 0.51 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 1s3b h LEU 482 CO -0.32 1.05 0.61 -0.33 0.09 0.00 0.00 178.44 179.54 1s3b h GLU 483 N 0.81 1.11 -0.22 1.13 5.08 -1.80 0.10 114.58 120.80 1s3b h GLU 483 Ca 0.14 -0.07 -0.18 0.00 -1.00 0.00 0.00 59.36 58.25 1s3b h GLU 483 Cb 0.60 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1s3b h GLU 483 CO 0.04 0.74 -0.59 0.00 -1.00 0.00 0.00 179.01 178.19 1s3b h ARG 484 N 1.15 0.72 0.00 2.33 3.08 -1.11 -3.39 114.38 117.16 1s3b h ARG 484 Ca 0.38 -0.48 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1s3b h ARG 484 Cb 0.05 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1s3b h ARG 484 CO -0.12 1.10 -0.43 0.72 -1.07 0.00 0.00 179.97 180.17 1s3b n HIS 485 N -3.97 0.00 -1.81 3.04 8.25 -0.75 -4.99 115.22 114.98 1s3b n HIS 485 Ca -0.04 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.01 1s3b n HIS 485 Cb 0.64 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.72 1s3b n HIS 485 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1s3b s LEU 486 N -2.45 4.34 0.63 2.41 1.43 0.00 -4.96 118.68 120.08 1s3b s LEU 486 Ca 0.02 2.98 -0.15 0.00 -1.03 0.00 0.00 54.13 55.95 1s3b s LEU 486 Cb 0.05 -3.65 -0.02 0.00 0.03 0.00 0.00 46.19 42.60 1s3b s LEU 486 CO 0.27 -0.87 1.09 -2.16 0.23 0.00 0.00 176.35 174.90 1s3b s PRO 487 N -1.39 3.02 1.11 1.29 0.04 -1.26 -4.94 135.00 132.87 1s3b s PRO 487 Ca 0.57 1.30 -0.16 0.00 0.04 0.00 0.00 61.00 62.75 1s3b s PRO 487 Cb -0.47 -1.99 0.24 0.00 0.04 0.00 0.00 34.50 32.33 1s3b s PRO 487 CO 0.56 -1.06 1.12 -1.54 0.04 0.00 0.00 177.00 176.11 1s3b s SER 488 N -2.69 1.69 0.07 6.66 1.04 -1.26 -4.77 113.70 114.44 1s3b s SER 488 Ca 0.65 0.81 -0.26 0.00 0.48 0.00 0.00 55.95 57.63 1s3b s SER 488 Cb -0.18 -1.20 -0.17 0.00 0.10 0.00 0.00 66.02 64.57 1s3b s SER 488 CO 0.40 -3.67 1.61 0.58 0.98 0.00 0.00 173.24 173.14 1s3b h VAL 489 N -2.27 0.82 0.00 5.02 2.07 -1.91 0.18 116.25 120.17 1s3b h VAL 489 Ca -0.49 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 1s3b h VAL 489 Cb 1.31 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1s3b h VAL 489 CO 0.44 0.04 -0.08 1.55 0.02 0.00 0.00 177.57 179.54 1s3b h PRO 490 N -0.37 0.00 -0.47 1.57 0.13 -1.96 -1.41 132.00 129.49 1s3b h PRO 490 Ca -0.03 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.96 1s3b h PRO 490 Cb 0.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.40 1s3b h PRO 490 CO 0.05 0.08 -0.24 0.78 -0.23 0.00 0.00 178.00 178.44 1s3b h GLY 491 N 0.32 1.07 1.33 1.56 0.00 -1.83 -1.30 103.07 104.23 1s3b h GLY 491 Ca -0.00 -0.98 -0.13 0.00 0.00 0.00 0.00 47.33 46.23 1s3b h GLY 491 CO 0.01 0.89 -0.29 -2.00 0.00 0.00 0.00 176.54 175.14 1s3b h LEU 492 N 0.84 0.78 -0.95 3.11 5.85 -0.50 -2.20 115.31 122.24 1s3b h LEU 492 Ca 0.10 -0.31 -0.10 0.00 0.84 0.00 0.00 57.88 58.41 1s3b h LEU 492 Cb 0.83 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1s3b h LEU 492 CO 0.07 1.02 -0.33 -0.07 -0.34 0.00 0.00 178.44 178.80 1s3b h LEU 493 N 0.64 0.38 -0.79 2.25 3.38 -1.19 -1.36 115.31 118.62 1s3b h LEU 493 Ca 0.08 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 1s3b h LEU 493 Cb 0.82 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1s3b h LEU 493 CO 0.07 0.69 -0.56 0.03 0.09 0.00 0.00 178.44 178.76 1s3b h ARG 494 N 0.32 0.15 -0.03 1.13 3.08 -1.13 -2.93 114.38 114.97 1s3b h ARG 494 Ca 0.04 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 59.87 1s3b h ARG 494 Cb 0.73 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 1s3b h ARG 494 CO 0.06 0.66 -0.58 1.25 -1.07 0.00 0.00 179.97 180.29 1s3b h LEU 495 N 0.11 0.12 0.00 3.04 5.85 -1.03 -3.51 115.31 119.89 1s3b h LEU 495 Ca -0.00 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1s3b h LEU 495 Cb 1.02 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1s3b h LEU 495 CO 0.08 0.68 0.00 -0.38 -0.34 0.00 0.00 178.44 178.48