#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m1r n ASN -1 N 0.00 0.44 -0.24 6.43 2.85 -1.26 -3.13 115.26 120.35 3m1r n ASN -1 Ca 0.00 -0.09 0.00 0.00 -0.11 0.00 0.00 54.58 54.38 3m1r n ASN -1 Cb 0.00 1.25 0.00 0.00 1.24 0.00 0.00 39.78 42.27 3m1r n ASN -1 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3m1r n ALA 0 N -2.05 1.44 0.00 5.20 0.00 -1.26 -1.88 120.51 121.96 3m1r n ALA 0 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3m1r n ALA 0 Cb 0.51 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.96 3m1r n ALA 0 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3m1r n ASP 2 N -0.06 0.00 0.10 0.00 9.92 -1.18 -4.53 116.55 120.80 3m1r n ASP 2 Ca 0.00 0.00 0.11 0.00 -0.53 0.00 0.00 54.79 54.37 3m1r n ASP 2 Cb 0.02 0.00 0.45 0.00 -0.64 0.00 0.00 41.12 40.95 3m1r n ASP 2 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 3m1r n LYS 3 N 0.00 0.15 -3.22 -1.24 2.85 -0.79 -3.88 118.16 112.03 3m1r n LYS 3 Ca 0.00 0.36 -0.46 0.00 -1.05 0.00 0.00 58.31 57.16 3m1r n LYS 3 Cb 0.00 -1.78 -0.03 0.00 -0.65 0.00 0.00 35.03 32.57 3m1r n LYS 3 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3m1r s TYR 4 N -3.22 3.44 0.34 5.58 1.51 -1.26 -4.92 117.35 118.82 3m1r s TYR 4 Ca 0.06 -1.60 0.03 0.00 -1.01 0.00 0.00 57.07 54.54 3m1r s TYR 4 Cb 0.10 -3.93 0.62 0.00 -0.11 0.00 0.00 41.96 38.63 3m1r s TYR 4 CO 0.38 -1.13 1.94 -1.35 -1.11 0.00 0.00 175.55 174.28 3m1r h PRO 5 N 8.38 0.70 -0.67 -1.71 0.11 -2.01 -2.62 132.00 134.18 3m1r h PRO 5 Ca -0.02 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.01 3m1r h PRO 5 Cb 1.05 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3m1r h PRO 5 CO 0.92 0.56 0.00 1.19 -0.21 0.00 0.00 178.00 180.46 3m1r n PHE 6 N -4.37 1.63 -4.23 0.65 0.99 -1.26 -4.83 117.46 106.04 3m1r n PHE 6 Ca 0.04 -0.57 -0.34 0.00 -0.00 0.00 0.00 57.45 56.58 3m1r n PHE 6 Cb 0.14 -0.42 -0.14 0.00 -1.00 0.00 0.00 39.48 38.06 3m1r n PHE 6 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 3m1r s LEU 7 N -2.15 2.85 0.29 4.37 1.98 -0.99 -5.10 118.68 119.93 3m1r s LEU 7 Ca 0.43 -0.35 0.06 0.00 -2.89 0.00 0.00 54.13 51.38 3m1r s LEU 7 Cb 0.33 -1.69 -0.06 0.00 0.66 0.00 0.00 46.19 45.42 3m1r s LEU 7 CO 0.13 0.06 -0.04 -0.13 -1.89 0.00 0.00 176.35 174.48 3m1r s ARG 8 N 1.01 1.57 0.60 1.98 0.52 -1.26 -4.98 118.95 118.39 3m1r s ARG 8 Ca -0.00 -1.81 -0.16 0.00 -0.52 0.00 0.00 55.73 53.24 3m1r s ARG 8 Cb -0.15 -1.12 -0.03 0.00 0.52 0.00 0.00 34.95 34.17 3m1r s ARG 8 CO -0.00 0.01 1.07 -1.83 0.02 0.00 0.00 175.30 174.56 3m1r s GLU 9 N -3.75 3.23 0.24 3.54 -1.05 -1.26 -4.92 118.70 114.73 3m1r s GLU 9 Ca 0.30 1.26 -0.30 0.00 -0.15 0.00 0.00 54.97 56.08 3m1r s GLU 9 Cb 0.05 -2.02 -0.10 0.00 -0.44 0.00 0.00 34.13 31.61 3m1r s GLU 9 CO 0.12 -0.89 1.51 0.00 0.95 0.00 0.00 175.26 176.96 3m1r s ALA 10 N -2.40 3.70 0.00 -0.84 0.00 -1.26 -2.40 121.76 118.56 3m1r s ALA 10 Ca 0.65 1.41 0.00 0.00 0.00 0.00 0.00 51.96 54.01 3m1r s ALA 10 Cb -0.17 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.35 3m1r s ALA 10 CO 0.37 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.72 3m1r n GLY 11 N 2.55 0.70 3.64 0.00 0.00 -1.26 -5.04 105.19 105.78 3m1r n GLY 11 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 3m1r n GLY 11 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3m1r n SER 12 N 0.00 1.23 -4.82 1.61 7.64 -1.01 -5.02 113.62 113.25 3m1r n SER 12 Ca 0.00 0.87 -0.31 0.00 1.01 0.00 0.00 58.87 60.44 3m1r n SER 12 Cb 0.00 -1.42 -0.05 0.00 -1.01 0.00 0.00 64.21 61.73 3m1r n SER 12 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3m1r s SER 13 N -1.11 4.31 -0.04 6.43 1.04 -1.26 -5.06 113.70 118.00 3m1r s SER 13 Ca 0.73 -1.56 -0.35 0.00 0.48 0.00 0.00 55.95 55.25 3m1r s SER 13 Cb -0.44 0.61 -0.13 0.00 0.10 0.00 0.00 66.02 66.16 3m1r s SER 13 CO 0.49 -0.99 1.74 0.33 0.98 0.00 0.00 173.24 175.79 3m1r n PHE 14 N -1.47 2.20 -3.65 5.02 7.35 -1.26 -4.94 117.46 120.71 3m1r n PHE 14 Ca -0.15 0.20 -0.37 0.00 -0.76 0.00 0.00 57.45 56.37 3m1r n PHE 14 Cb 0.66 -2.57 -0.10 0.00 0.35 0.00 0.00 39.48 37.81 3m1r n PHE 14 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 3m1r s LYS 15 N 2.90 4.00 -0.22 -4.13 2.47 -1.26 -5.07 119.74 118.43 3m1r s LYS 15 Ca 0.89 -0.30 -0.02 0.00 -1.56 0.00 0.00 55.97 54.99 3m1r s LYS 15 Cb -0.77 -3.56 0.01 0.00 -1.46 0.00 0.00 37.83 32.05 3m1r s LYS 15 CO 0.50 -0.03 -0.10 0.34 0.16 0.00 0.00 175.35 176.22 3m1r s ASP 16 N 1.32 3.92 0.55 1.43 -1.08 -1.26 -5.01 116.67 116.54 3m1r s ASP 16 Ca 0.07 -0.63 0.36 0.00 -0.52 0.00 0.00 52.55 51.83 3m1r s ASP 16 Cb -0.14 -1.63 1.64 0.00 -1.46 0.00 0.00 42.92 41.32 3m1r s ASP 16 CO 0.07 -0.05 2.06 0.08 0.52 0.00 0.00 175.17 177.85 3m1r h ARG 17 N 8.02 0.00 -0.09 4.34 0.11 -2.05 -1.80 114.38 122.91 3m1r h ARG 17 Ca -0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.68 3m1r h ARG 17 Cb 1.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.22 3m1r h ARG 17 CO 0.60 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.42 3m1r n ASP 18 N -2.98 2.41 -4.62 0.08 10.43 -1.26 -4.90 116.55 115.72 3m1r n ASP 18 Ca -0.00 -1.80 -0.34 0.00 2.57 0.00 0.00 54.79 55.22 3m1r n ASP 18 Cb 0.22 -0.05 -0.10 0.00 1.84 0.00 0.00 41.12 43.03 3m1r n ASP 18 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3m1r s VAL 19 N -1.91 3.89 -0.25 2.53 1.01 -0.68 -5.09 120.40 119.90 3m1r s VAL 19 Ca 0.33 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.83 3m1r s VAL 19 Cb 0.20 -2.64 0.06 0.00 0.00 0.00 0.00 36.38 34.01 3m1r s VAL 19 CO 0.31 0.53 -0.08 -0.89 0.00 0.00 0.00 175.10 174.97 3m1r s THR 20 N -0.90 1.86 0.00 3.92 2.01 -1.26 -4.89 115.64 116.38 3m1r s THR 20 Ca 0.14 -1.45 0.00 0.00 0.31 0.00 0.00 61.69 60.69 3m1r s THR 20 Cb -0.11 -2.05 0.00 0.00 0.01 0.00 0.00 72.50 70.35 3m1r s THR 20 CO 0.04 -0.07 0.00 0.29 -0.69 0.00 0.00 174.62 174.19 3m1r n LYS 21 N 4.54 0.00 0.00 4.92 5.02 -1.26 -1.74 118.16 129.65 3m1r n LYS 21 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 3m1r n LYS 21 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.44 3m1r n LYS 21 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3m1r n SER 23 N 0.00 0.00 0.01 4.39 3.41 -0.79 -3.61 113.62 117.03 3m1r n SER 23 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 3m1r n SER 23 Cb 0.00 -0.00 0.51 0.00 -0.26 0.00 0.00 64.21 64.46 3m1r n SER 23 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3m1r n ASP 24 N 0.00 0.22 -0.00 4.04 8.00 -1.26 -4.02 116.55 123.52 3m1r n ASP 24 Ca 0.00 0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.86 3m1r n ASP 24 Cb 0.00 -0.37 -0.00 0.00 -0.02 0.00 0.00 41.12 40.73 3m1r n ASP 24 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3m1r n LEU 25 N -1.61 0.31 -4.64 0.64 4.77 -1.24 -4.98 117.00 110.25 3m1r n LEU 25 Ca 0.06 -0.65 -0.37 0.00 -0.03 0.00 0.00 56.01 55.03 3m1r n LEU 25 Cb 0.35 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.35 3m1r n LEU 25 CO 0.29 0.08 -0.17 -0.63 -1.33 0.00 0.00 177.39 175.63 3m1r s ILE 26 N -0.74 5.35 -0.02 -0.08 1.01 -1.26 -0.44 121.20 125.02 3m1r s ILE 26 Ca 0.00 0.18 0.07 0.00 0.00 0.00 0.00 60.65 60.90 3m1r s ILE 26 Cb 0.00 -3.51 -0.02 0.00 0.01 0.00 0.00 42.46 38.94 3m1r s ILE 26 CO 0.01 0.32 -0.23 0.00 0.00 0.00 0.00 174.94 175.05 3m1r s ALA 27 N 1.23 2.32 0.27 9.38 0.00 -0.76 -4.95 121.76 129.25 3m1r s ALA 27 Ca 0.07 -1.10 -0.30 0.00 0.00 0.00 0.00 51.96 50.64 3m1r s ALA 27 Cb -0.14 -0.66 -0.13 0.00 0.00 0.00 0.00 23.12 22.18 3m1r s ALA 27 CO 0.06 0.54 1.28 2.41 0.00 0.00 0.00 175.76 180.05 3m1r n THR 28 N 2.31 1.41 -2.74 0.00 -1.04 -1.26 -0.92 114.28 112.03 3m1r n THR 28 Ca -0.16 -0.35 -0.42 0.00 -2.04 0.00 0.00 64.05 61.07 3m1r n THR 28 Cb 0.51 -1.35 -0.03 0.00 -1.82 0.00 0.00 70.33 67.65 3m1r n THR 28 CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 3m1r s TRP 29 N -0.52 3.46 0.62 -1.42 -0.00 -0.31 -4.76 118.94 116.01 3m1r s TRP 29 Ca 0.64 1.49 0.05 0.00 -0.00 0.00 0.00 56.10 58.27 3m1r s TRP 29 Cb -0.66 -3.15 0.09 0.00 -0.00 0.00 0.00 33.47 29.75 3m1r s TRP 29 CO 0.55 -0.26 0.85 0.34 -0.00 0.00 0.00 176.95 178.43 3m1r s ASP 30 N 1.12 4.87 0.00 5.86 2.15 -1.26 -4.94 116.67 124.48 3m1r s ASP 30 Ca 0.45 -0.56 0.00 0.00 0.43 0.00 0.00 52.55 52.87 3m1r s ASP 30 Cb -0.17 -0.00 0.00 0.00 -0.30 0.00 0.00 42.92 42.45 3m1r s ASP 30 CO 0.15 -1.48 0.79 0.61 -0.17 0.00 0.00 175.17 175.07 3m1r n GLY 31 N -2.44 -0.31 3.40 2.66 0.00 -1.26 -4.84 105.19 102.39 3m1r n GLY 31 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 3m1r n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m1r n GLN 32 N -1.29 -0.85 -2.08 1.61 0.00 -1.26 -4.85 117.38 108.66 3m1r n GLN 32 Ca 0.00 -0.21 -0.42 0.00 0.00 0.00 0.00 57.00 56.37 3m1r n GLN 32 Cb 0.12 -1.87 -0.03 0.00 0.00 0.00 0.00 30.24 28.45 3m1r n GLN 32 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3m1r s ASP 33 N -2.04 6.73 -0.28 2.61 -1.08 -1.26 -4.97 116.67 116.38 3m1r s ASP 33 Ca 0.58 2.28 -0.22 0.00 -0.52 0.00 0.00 52.55 54.67 3m1r s ASP 33 Cb -0.19 -2.56 -0.01 0.00 -1.46 0.00 0.00 42.92 38.70 3m1r s ASP 33 CO 0.66 -0.81 0.70 -0.63 0.52 0.00 0.00 175.17 175.61 3m1r s ILE 34 N 2.66 4.90 -0.23 4.11 1.01 -1.26 -5.02 121.20 127.37 3m1r s ILE 34 Ca 0.69 1.14 0.01 0.00 0.00 0.00 0.00 60.65 62.49 3m1r s ILE 34 Cb -0.35 -4.04 0.04 0.00 0.01 0.00 0.00 42.46 38.12 3m1r s ILE 34 CO 0.29 -0.11 -0.14 -0.54 0.00 0.00 0.00 174.94 174.45 3m1r s LYS 35 N 2.71 2.66 2.12 2.79 1.02 -1.26 -3.86 119.74 125.92 3m1r s LYS 35 Ca 0.29 -1.06 0.00 0.00 0.02 0.00 0.00 55.97 55.21 3m1r s LYS 35 Cb -0.15 -2.78 0.00 0.00 -0.52 0.00 0.00 37.83 34.38 3m1r s LYS 35 CO 0.10 -0.39 0.00 0.41 -0.92 0.00 0.00 175.35 174.55 3m1r n GLY 36 N 4.55 -0.70 3.78 -3.33 0.00 0.10 -4.92 105.19 104.67 3m1r n GLY 36 Ca -0.17 -1.33 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 3m1r n GLY 36 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3m1r s PRO 37 N 0.00 4.07 -0.20 1.61 0.02 -1.26 -1.50 135.00 137.75 3m1r s PRO 37 Ca 0.00 2.48 -0.17 0.00 0.02 0.00 0.00 61.00 63.33 3m1r s PRO 37 Cb 0.00 -2.92 0.05 0.00 0.02 0.00 0.00 34.50 31.65 3m1r s PRO 37 CO 0.00 -0.53 0.53 0.00 -0.33 0.00 0.00 177.00 176.67 3m1r s ALA 38 N -1.14 -1.32 0.29 -1.55 0.00 -1.12 -4.40 121.76 112.53 3m1r s ALA 38 Ca 0.54 1.57 -0.28 0.00 0.00 0.00 0.00 51.96 53.79 3m1r s ALA 38 Cb -0.45 -0.92 -0.09 0.00 0.00 0.00 0.00 23.12 21.66 3m1r s ALA 38 CO 0.60 -0.26 1.00 -0.51 0.00 0.00 0.00 175.76 176.58 3m1r s LEU 39 N 0.53 4.48 -0.06 0.00 1.43 0.28 -1.89 118.68 123.45 3m1r s LEU 39 Ca -0.02 2.01 -0.03 0.00 -1.03 0.00 0.00 54.13 55.06 3m1r s LEU 39 Cb -0.04 -3.80 0.03 0.00 0.03 0.00 0.00 46.19 42.41 3m1r s LEU 39 CO -0.03 -0.06 0.14 -0.51 0.23 0.00 0.00 176.35 176.12 3m1r s ILE 40 N -1.35 -0.03 0.05 -0.59 2.07 -0.61 -0.39 121.20 120.34 3m1r s ILE 40 Ca 0.46 0.13 -0.09 0.00 -1.41 0.00 0.00 60.65 59.74 3m1r s ILE 40 Cb -0.25 -0.23 -0.05 0.00 0.13 0.00 0.00 42.46 42.06 3m1r s ILE 40 CO 0.32 0.05 0.35 -0.83 -1.91 0.00 0.00 174.94 172.91 3m1r s GLY 41 N 0.85 2.31 -0.46 1.50 0.00 -0.39 -0.80 107.32 110.33 3m1r s GLY 41 Ca -0.06 -0.45 0.04 0.00 0.00 0.00 0.00 44.72 44.24 3m1r s GLY 41 CO -0.04 -0.24 0.35 0.14 0.00 0.00 0.00 173.10 173.31 3m1r s VAL 42 N -1.34 0.86 -1.06 1.40 1.01 0.42 -0.59 120.40 121.10 3m1r s VAL 42 Ca 0.30 -2.85 -0.09 0.00 0.00 0.00 0.00 61.98 59.35 3m1r s VAL 42 Cb -0.14 -1.60 -0.15 0.00 0.00 0.00 0.00 36.38 34.50 3m1r s VAL 42 CO 0.17 -1.15 3.16 -0.81 0.00 0.00 0.00 175.10 176.48 3m1r n PRO 43 N 2.85 3.08 -3.84 2.72 -0.05 -1.26 -2.81 135.00 135.69 3m1r n PRO 43 Ca 0.25 -1.77 -0.35 0.00 -0.05 0.00 0.00 63.50 61.57 3m1r n PRO 43 Cb 0.43 -2.52 -0.10 0.00 -0.05 0.00 0.00 33.50 31.27 3m1r n PRO 43 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 175.50 174.28 3m1r s LEU 44 N 0.11 3.89 0.00 1.53 2.96 -1.26 -4.52 118.68 121.39 3m1r s LEU 44 Ca 0.68 0.06 0.00 0.00 -0.22 0.00 0.00 54.13 54.65 3m1r s LEU 44 Cb 0.22 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.90 3m1r s LEU 44 CO -0.04 0.11 0.05 -1.54 -1.32 0.00 0.00 176.35 173.62 3m1r n SER 45 N 3.97 0.00 0.02 3.68 3.41 -1.26 -0.02 113.62 123.42 3m1r n SER 45 Ca -0.16 -1.00 0.14 0.00 -0.26 0.00 0.00 58.87 57.59 3m1r n SER 45 Cb 0.52 0.00 0.57 0.00 -0.26 0.00 0.00 64.21 65.04 3m1r n SER 45 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3m1r n LYS 46 N 0.00 0.06 0.16 4.33 5.02 -1.26 -2.74 118.16 123.72 3m1r n LYS 46 Ca 0.00 0.05 0.13 0.00 -2.02 0.00 0.00 58.31 56.46 3m1r n LYS 46 Cb 0.29 -1.56 0.35 0.00 -0.02 0.00 0.00 35.03 34.09 3m1r n LYS 46 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3m1r h SER 47 N 0.00 0.00 -2.45 4.39 4.64 -1.89 -3.46 113.55 114.78 3m1r h SER 47 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 3m1r h SER 47 Cb 0.55 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.70 3m1r h SER 47 CO 0.00 0.00 0.79 -1.20 -0.87 0.00 0.00 176.83 175.55 3m1r n SER 48 N -2.59 3.15 0.16 4.97 7.64 -1.11 -2.35 113.62 123.50 3m1r n SER 48 Ca 0.04 1.10 -0.14 0.00 1.01 0.00 0.00 58.87 60.88 3m1r n SER 48 Cb 0.44 -1.45 -0.08 0.00 -1.01 0.00 0.00 64.21 62.10 3m1r n SER 48 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3m1r h ILE 49 N 3.50 0.00 -3.95 0.44 2.04 -1.91 -3.43 117.51 114.20 3m1r h ILE 49 Ca -0.45 0.00 -0.49 0.00 1.00 0.00 0.00 64.86 64.92 3m1r h ILE 49 Cb 1.25 0.00 0.20 0.00 -0.74 0.00 0.00 36.82 37.53 3m1r h ILE 49 CO 0.86 0.00 0.16 -0.44 0.00 0.00 0.00 178.15 178.73 3m1r s SER 50 N -4.11 2.28 -0.05 1.72 0.01 -1.26 -4.97 113.70 107.32 3m1r s SER 50 Ca -0.14 1.99 -0.30 0.00 1.31 0.00 0.00 55.95 58.82 3m1r s SER 50 Cb 0.04 -2.50 -0.05 0.00 0.21 0.00 0.00 66.02 63.73 3m1r s SER 50 CO 0.49 -3.47 1.43 -2.28 0.41 0.00 0.00 173.24 169.82 3m1r s HIS 51 N -2.58 2.66 -0.03 2.43 2.46 -1.26 -5.01 115.29 113.95 3m1r s HIS 51 Ca 0.67 0.72 0.02 0.00 0.47 0.00 0.00 55.06 56.95 3m1r s HIS 51 Cb -0.24 -3.68 0.01 0.00 -0.13 0.00 0.00 32.58 28.54 3m1r s HIS 51 CO 0.60 -2.60 -0.10 0.45 -2.47 0.00 0.00 174.74 170.62 3m1r s SER 52 N 2.22 1.34 -0.31 9.88 0.15 -1.26 -5.01 113.70 120.71 3m1r s SER 52 Ca 0.64 -0.21 0.11 0.00 0.70 0.00 0.00 55.95 57.19 3m1r s SER 52 Cb -0.30 -0.42 0.77 0.00 -1.71 0.00 0.00 66.02 64.36 3m1r s SER 52 CO 0.25 0.06 1.80 0.61 1.20 0.00 0.00 173.24 177.16 3m1r n GLY 53 N 3.41 3.54 0.32 9.45 0.00 -1.26 -4.61 105.19 116.04 3m1r n GLY 53 Ca -0.19 -0.99 0.22 0.00 0.00 0.00 0.00 46.02 45.05 3m1r n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m1r h ALA 54 N 2.95 1.00 0.00 4.61 0.00 -1.90 -0.09 119.26 125.83 3m1r h ALA 54 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3m1r h ALA 54 Cb 2.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.06 3m1r h ALA 54 CO 0.69 0.00 0.00 0.66 0.00 0.00 0.00 179.25 180.60 3m1r h SER 55 N 0.00 0.00 0.50 0.00 4.64 -1.79 -1.60 113.55 115.30 3m1r h SER 55 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m1r h SER 55 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3m1r h SER 55 CO 0.00 0.00 -0.77 0.49 -0.87 0.00 0.00 176.83 175.68 3m1r n PHE 56 N -2.47 0.21 -0.35 4.77 3.01 -0.05 -4.41 117.46 118.18 3m1r n PHE 56 Ca -0.01 0.06 -0.02 0.00 1.01 0.00 0.00 57.45 58.50 3m1r n PHE 56 Cb 0.09 -0.38 0.11 0.00 -0.01 0.00 0.00 39.48 39.29 3m1r n PHE 56 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3m1r h ALA 57 N 2.72 1.22 -0.89 4.37 0.00 -1.50 -2.50 119.26 122.69 3m1r h ALA 57 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3m1r h ALA 57 Cb 0.64 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3m1r h ALA 57 CO 0.00 0.55 0.57 -1.35 0.00 0.00 0.00 179.25 179.02 3m1r h PRO 58 N 1.24 1.18 -0.49 0.00 0.11 -1.75 0.37 132.00 132.66 3m1r h PRO 58 Ca 0.36 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 66.38 3m1r h PRO 58 Cb -0.08 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 30.75 3m1r h PRO 58 CO -0.10 0.80 0.28 0.78 -0.21 0.00 0.00 178.00 179.55 3m1r h GLY 59 N 1.21 0.72 1.59 -0.55 0.00 -1.76 -1.35 103.07 102.94 3m1r h GLY 59 Ca 0.32 -0.31 -0.25 0.00 0.00 0.00 0.00 47.33 47.09 3m1r h GLY 59 CO -0.07 0.30 -1.12 -0.91 0.00 0.00 0.00 176.54 174.75 3m1r h THR 60 N 0.65 1.45 -0.54 4.70 1.35 -0.99 -2.13 112.91 117.39 3m1r h THR 60 Ca 0.17 -2.79 -0.08 0.00 -0.55 0.00 0.00 66.41 63.17 3m1r h THR 60 Cb 0.02 2.72 -0.02 0.00 -1.73 0.00 0.00 68.15 69.14 3m1r h THR 60 CO -0.03 0.82 0.03 0.40 -0.25 0.00 0.00 175.52 176.49 3m1r h ILE 61 N 0.14 1.25 -0.75 6.82 2.04 -0.31 -1.38 117.51 125.32 3m1r h ILE 61 Ca -0.11 -1.03 -0.05 0.00 1.00 0.00 0.00 64.86 64.67 3m1r h ILE 61 Cb 1.80 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.65 3m1r h ILE 61 CO 0.19 0.37 0.27 0.03 0.00 0.00 0.00 178.15 179.01 3m1r h ARG 62 N 0.84 1.14 -0.43 2.37 3.08 -1.15 -0.16 114.38 120.07 3m1r h ARG 62 Ca 0.16 -0.23 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 3m1r h ARG 62 Cb 0.46 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3m1r h ARG 62 CO 0.02 0.95 0.04 0.37 -1.07 0.00 0.00 179.97 180.28 3m1r h GLN 63 N 1.10 0.73 -0.68 0.04 4.15 -1.11 0.17 115.11 119.52 3m1r h GLN 63 Ca 0.25 -0.21 -0.06 0.00 0.77 0.00 0.00 58.65 59.39 3m1r h GLN 63 Cb 0.26 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.85 3m1r h GLN 63 CO -0.01 0.78 0.19 0.00 -1.93 0.00 0.00 178.83 177.86 3m1r h ALA 64 N 0.92 0.89 0.11 3.38 0.00 -1.04 -2.58 119.26 120.94 3m1r h ALA 64 Ca 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3m1r h ALA 64 Cb 0.43 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3m1r h ALA 64 CO 0.01 0.59 -0.05 1.25 0.00 0.00 0.00 179.25 181.05 3m1r h LEU 65 N 1.00 -0.12 -2.39 0.00 5.85 -0.62 -2.91 115.31 116.12 3m1r h LEU 65 Ca 0.22 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.73 3m1r h LEU 65 Cb 0.33 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 3m1r h LEU 65 CO -0.00 0.15 0.05 0.11 -0.34 0.00 0.00 178.44 178.41 3m1r h LYS 66 N -0.41 0.00 -0.01 1.25 1.57 -0.59 -0.37 116.57 118.01 3m1r h LYS 66 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3m1r h LYS 66 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3m1r h LYS 66 CO 0.02 0.00 -0.16 0.72 -0.57 0.00 0.00 179.45 179.47 3m1r n HIS 67 N -3.87 0.00 -3.14 -1.35 8.25 -0.98 -1.88 115.22 112.25 3m1r n HIS 67 Ca -0.02 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.11 3m1r n HIS 67 Cb 0.14 -0.06 -0.06 0.00 1.12 0.00 0.00 29.99 31.13 3m1r n HIS 67 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3m1r s SER 68 N -2.27 6.84 0.36 0.41 0.01 -0.15 -5.03 113.70 113.87 3m1r s SER 68 Ca 0.29 1.30 -0.28 0.00 1.31 0.00 0.00 55.95 58.58 3m1r s SER 68 Cb 0.20 -2.38 -0.11 0.00 0.21 0.00 0.00 66.02 63.94 3m1r s SER 68 CO 0.44 -0.14 1.47 -0.55 0.41 0.00 0.00 173.24 174.87 3m1r s SER 69 N -2.11 6.41 0.00 2.44 0.15 -1.26 -4.44 113.70 114.88 3m1r s SER 69 Ca 0.51 2.99 0.30 0.00 0.70 0.00 0.00 55.95 60.44 3m1r s SER 69 Cb -0.12 -2.66 1.40 0.00 -1.71 0.00 0.00 66.02 62.93 3m1r s SER 69 CO 0.18 -0.83 1.98 0.00 1.20 0.00 0.00 173.24 175.78 3m1r n ALA 70 N 0.71 2.57 -2.70 5.45 0.00 -0.71 -4.90 120.51 120.93 3m1r n ALA 70 Ca 0.02 -0.17 -0.39 0.00 0.00 0.00 0.00 53.44 52.89 3m1r n ALA 70 Cb 0.39 -1.44 -0.05 0.00 0.00 0.00 0.00 19.45 18.35 3m1r n ALA 70 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3m1r s TYR 71 N -2.60 3.49 -0.23 0.00 5.04 -1.26 -1.53 117.35 120.27 3m1r s TYR 71 Ca 0.27 1.03 -0.10 0.00 -2.44 0.00 0.00 57.07 55.83 3m1r s TYR 71 Cb 0.20 -2.73 -0.05 0.00 0.35 0.00 0.00 41.96 39.73 3m1r s TYR 71 CO 0.48 0.02 0.13 0.45 -1.34 0.00 0.00 175.55 175.28 3m1r s SER 72 N 0.89 5.95 0.42 4.32 0.15 -0.90 -4.97 113.70 119.57 3m1r s SER 72 Ca 0.31 0.09 0.23 0.00 0.70 0.00 0.00 55.95 57.28 3m1r s SER 72 Cb -0.16 -2.06 0.52 0.00 -1.71 0.00 0.00 66.02 62.60 3m1r s SER 72 CO 0.13 0.09 1.66 0.00 1.20 0.00 0.00 173.24 176.32 3m1r h ALA 73 N 7.32 0.93 0.00 5.45 0.00 -1.97 -0.61 119.26 130.38 3m1r h ALA 73 Ca -0.38 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3m1r h ALA 73 Cb 1.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3m1r h ALA 73 CO 0.67 0.19 -0.26 -1.91 0.00 0.00 0.00 179.25 177.94 3m1r n GLU 74 N -3.17 0.09 -0.01 0.00 2.13 -1.26 -3.48 120.64 114.93 3m1r n GLU 74 Ca 0.02 0.05 0.06 0.00 0.66 0.00 0.00 57.16 57.95 3m1r n GLU 74 Cb 0.53 -1.58 -0.10 0.00 0.27 0.00 0.00 31.44 30.56 3m1r n GLU 74 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3m1r n LEU 75 N -1.71 0.00 -1.86 4.31 4.32 -1.11 -4.98 117.00 115.96 3m1r n LEU 75 Ca 0.06 0.00 -0.18 0.00 -0.02 0.00 0.00 56.01 55.87 3m1r n LEU 75 Cb 0.37 0.03 -0.03 0.00 -1.62 0.00 0.00 43.42 42.16 3m1r n LEU 75 CO 0.32 0.03 -0.21 0.61 -1.22 0.00 0.00 177.39 176.91 3m1r n GLY 76 N 1.79 0.30 3.69 -0.72 0.00 -0.25 -4.96 105.19 105.04 3m1r n GLY 76 Ca -0.04 -0.13 -0.05 0.00 0.00 0.00 0.00 46.02 45.80 3m1r n GLY 76 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3m1r s GLU 77 N -4.48 1.14 0.57 1.61 -1.05 -1.12 -5.02 118.70 110.36 3m1r s GLU 77 Ca 0.00 -0.59 -0.19 0.00 -0.15 0.00 0.00 54.97 54.04 3m1r s GLU 77 Cb 0.00 0.42 -0.04 0.00 -0.44 0.00 0.00 34.13 34.06 3m1r s GLU 77 CO 0.00 -0.52 1.18 -1.01 0.95 0.00 0.00 175.26 175.86 3m1r s HIS 78 N -3.29 2.49 -0.61 4.83 3.76 -1.26 -2.11 115.29 119.11 3m1r s HIS 78 Ca 0.10 1.53 0.25 0.00 -0.15 0.00 0.00 55.06 56.79 3m1r s HIS 78 Cb -0.01 -3.41 0.62 0.00 1.11 0.00 0.00 32.58 30.89 3m1r s HIS 78 CO -0.01 -1.97 1.71 -0.39 -0.85 0.00 0.00 174.74 173.23 3m1r h VAL 79 N 1.00 0.00 -3.46 -0.90 -1.51 -1.65 -3.40 116.25 106.32 3m1r h VAL 79 Ca -0.50 -0.69 -0.66 0.00 -1.23 0.00 0.00 66.70 63.62 3m1r h VAL 79 Cb 1.28 1.69 -0.28 0.00 -2.13 0.00 0.00 31.29 31.86 3m1r h VAL 79 CO 0.56 0.00 -0.70 -0.69 -1.23 0.00 0.00 177.57 175.50 3m1r s VAL 80 N -3.15 3.47 -0.04 7.19 1.01 -1.26 -4.73 120.40 122.88 3m1r s VAL 80 Ca 0.09 -0.56 -0.24 0.00 0.00 0.00 0.00 61.98 61.27 3m1r s VAL 80 Cb 0.09 -2.63 -0.23 0.00 0.00 0.00 0.00 36.38 33.61 3m1r s VAL 80 CO 0.63 0.34 1.04 0.77 0.00 0.00 0.00 175.10 177.88 3m1r h SER 81 N 8.13 0.26 0.00 3.32 4.64 -2.01 -3.45 113.55 124.45 3m1r h SER 81 Ca -0.39 -0.77 0.00 0.00 -0.47 0.00 0.00 61.79 60.16 3m1r h SER 81 Cb 1.15 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3m1r h SER 81 CO 0.60 1.00 0.00 -1.84 -0.87 0.00 0.00 176.83 175.71 3m1r n GLU 82 N -4.47 0.00 -3.87 4.77 0.00 -1.26 -5.10 120.64 110.71 3m1r n GLU 82 Ca -0.10 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 56.97 3m1r n GLU 82 Cb 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.90 3m1r n GLU 82 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.13 176.65 3m1r s LEU 83 N 0.00 0.88 -0.18 -1.84 0.05 -1.26 -4.97 118.68 111.36 3m1r s LEU 83 Ca 0.00 -0.71 0.01 0.00 0.05 0.00 0.00 54.13 53.48 3m1r s LEU 83 Cb 0.00 1.36 0.02 0.00 -2.05 0.00 0.00 46.19 45.52 3m1r s LEU 83 CO 0.00 -0.88 -0.19 -0.22 -0.55 0.00 0.00 176.35 174.51 3m1r s LEU 84 N -2.91 2.20 0.38 1.48 2.96 0.42 -5.02 118.68 118.18 3m1r s LEU 84 Ca 0.12 -0.69 -0.25 0.00 -0.22 0.00 0.00 54.13 53.09 3m1r s LEU 84 Cb 0.03 -1.48 -0.09 0.00 0.50 0.00 0.00 46.19 45.15 3m1r s LEU 84 CO -0.04 -0.01 1.04 -0.31 -1.32 0.00 0.00 176.35 175.70 3m1r s TYR 85 N 1.28 3.36 -0.38 5.38 2.02 -1.26 -1.82 117.35 125.93 3m1r s TYR 85 Ca 0.04 1.67 -0.08 0.00 -0.37 0.00 0.00 57.07 58.33 3m1r s TYR 85 Cb -0.13 -3.10 0.06 0.00 -0.40 0.00 0.00 41.96 38.38 3m1r s TYR 85 CO -0.13 -0.48 0.18 0.34 -1.57 0.00 0.00 175.55 173.89 3m1r s ASP 86 N -1.53 5.49 0.50 2.29 -1.08 -0.10 -0.56 116.67 121.68 3m1r s ASP 86 Ca 0.56 -1.31 0.29 0.00 -0.52 0.00 0.00 52.55 51.57 3m1r s ASP 86 Cb -0.22 -1.93 1.20 0.00 -1.46 0.00 0.00 42.92 40.51 3m1r s ASP 86 CO 0.28 -0.43 1.93 -0.07 0.52 0.00 0.00 175.17 177.40 3m1r h LEU 87 N 8.31 0.00 0.00 -1.34 3.38 -1.03 -0.80 115.31 123.84 3m1r h LEU 87 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3m1r h LEU 87 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3m1r h LEU 87 CO 0.67 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.93 3m1r n GLY 88 N -0.03 0.38 3.49 0.83 0.00 -1.26 -4.77 105.19 103.83 3m1r n GLY 88 Ca -0.00 -2.29 -0.32 0.00 0.00 0.00 0.00 46.02 43.41 3m1r n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3m1r s ASP 89 N -4.00 4.06 0.05 1.61 1.01 -1.26 -1.26 116.67 116.88 3m1r s ASP 89 Ca 0.00 -0.25 -0.31 0.00 0.71 0.00 0.00 52.55 52.70 3m1r s ASP 89 Cb 0.00 -0.82 -0.06 0.00 1.01 0.00 0.00 42.92 43.05 3m1r s ASP 89 CO 0.00 0.31 1.28 -0.63 0.21 0.00 0.00 175.17 176.34 3m1r s ILE 90 N -0.83 3.81 0.24 0.77 1.01 0.24 -4.94 121.20 121.51 3m1r s ILE 90 Ca 0.13 1.27 -0.31 0.00 0.00 0.00 0.00 60.65 61.74 3m1r s ILE 90 Cb -0.11 -3.82 -0.12 0.00 0.01 0.00 0.00 42.46 38.43 3m1r s ILE 90 CO 0.03 0.07 1.68 -0.62 0.00 0.00 0.00 174.94 176.10 3m1r s ASP 91 N 1.26 6.36 -0.11 3.58 2.15 -1.26 -4.54 116.67 124.10 3m1r s ASP 91 Ca 0.61 2.92 0.02 0.00 0.43 0.00 0.00 52.55 56.52 3m1r s ASP 91 Cb -0.31 -2.61 -0.01 0.00 -0.30 0.00 0.00 42.92 39.68 3m1r s ASP 91 CO 0.28 -0.96 -0.17 -0.63 -0.17 0.00 0.00 175.17 173.52 3m1r s ILE 92 N 0.71 2.69 0.06 4.11 -1.09 -1.26 -4.78 121.20 121.64 3m1r s ILE 92 Ca 0.70 -0.80 -0.31 0.00 -2.23 0.00 0.00 60.65 58.02 3m1r s ILE 92 Cb -0.49 -2.09 -0.07 0.00 -1.58 0.00 0.00 42.46 38.22 3m1r s ILE 92 CO 0.39 0.54 1.45 -2.28 -1.23 0.00 0.00 174.94 173.81 3m1r s HIS 93 N 0.27 2.92 0.28 3.97 2.46 -1.26 -4.89 115.29 119.03 3m1r s HIS 93 Ca -0.12 0.76 0.03 0.00 0.47 0.00 0.00 55.06 56.20 3m1r s HIS 93 Cb -0.16 -3.74 0.65 0.00 -0.13 0.00 0.00 32.58 29.20 3m1r s HIS 93 CO 0.06 -2.73 1.76 0.28 -2.47 0.00 0.00 174.74 171.64 3m1r h VAL 94 N 4.62 0.69 0.00 0.89 2.07 -2.02 -3.37 116.25 119.14 3m1r h VAL 94 Ca -0.40 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 66.89 3m1r h VAL 94 Cb 1.19 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3m1r h VAL 94 CO 0.89 0.12 -0.70 0.41 0.02 0.00 0.00 177.57 178.31 3m1r n THR 95 N -4.84 1.08 -3.15 2.57 -1.04 -1.26 -4.97 114.28 102.68 3m1r n THR 95 Ca 0.20 0.24 -0.43 0.00 -2.04 0.00 0.00 64.05 62.03 3m1r n THR 95 Cb 0.52 -2.12 -0.07 0.00 -1.82 0.00 0.00 70.33 66.84 3m1r n THR 95 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3m1r s ASP 96 N -5.37 6.31 0.23 8.00 -1.08 -1.26 -4.95 116.67 118.55 3m1r s ASP 96 Ca -0.20 -0.32 -0.05 0.00 -0.52 0.00 0.00 52.55 51.46 3m1r s ASP 96 Cb 0.03 -2.30 0.22 0.00 -1.46 0.00 0.00 42.92 39.40 3m1r s ASP 96 CO 0.30 -0.72 1.71 -0.29 0.52 0.00 0.00 175.17 176.70 3m1r h ILE 97 N 5.82 1.25 -0.54 4.11 -0.00 -1.93 -2.14 117.51 124.08 3m1r h ILE 97 Ca -0.26 -1.07 -0.05 0.00 -0.00 0.00 0.00 64.86 63.48 3m1r h ILE 97 Cb 1.10 0.83 -0.02 0.00 -0.00 0.00 0.00 36.82 38.72 3m1r h ILE 97 CO 0.87 0.38 0.12 0.58 -0.00 0.00 0.00 178.15 180.10 3m1r h VAL 98 N 0.85 1.23 -0.42 2.19 2.07 -1.97 -1.34 116.25 118.86 3m1r h VAL 98 Ca 0.16 -0.84 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 3m1r h VAL 98 Cb 0.49 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3m1r h VAL 98 CO 0.02 0.31 0.13 0.50 0.02 0.00 0.00 177.57 178.56 3m1r h LYS 99 N 0.81 0.65 -0.65 1.57 3.64 -1.89 -2.46 116.57 118.24 3m1r h LYS 99 Ca 0.18 -0.14 0.08 0.00 -1.27 0.00 0.00 60.65 59.49 3m1r h LYS 99 Cb 0.31 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.97 3m1r h LYS 99 CO 0.00 0.64 0.32 0.77 -2.27 0.00 0.00 179.45 178.91 3m1r h SER 100 N 0.54 0.42 -0.87 4.20 0.02 -0.71 -1.06 113.55 116.09 3m1r h SER 100 Ca 0.14 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 3m1r h SER 100 Cb 0.26 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.74 3m1r h SER 100 CO -0.00 0.26 0.48 0.45 -1.14 0.00 0.00 176.83 176.87 3m1r h HIS 101 N 0.57 1.19 -0.67 3.45 3.86 -1.08 -1.84 115.15 120.64 3m1r h HIS 101 Ca 0.31 -0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.44 3m1r h HIS 101 Cb 0.30 -0.38 -0.03 0.00 1.06 0.00 0.00 27.41 28.36 3m1r h HIS 101 CO -0.11 0.83 0.20 0.45 0.86 0.00 0.00 177.93 180.15 3m1r h HIS 102 N 1.21 1.09 -0.51 2.45 -0.00 -0.88 -0.31 115.15 118.20 3m1r h HIS 102 Ca 0.31 -0.11 0.10 0.00 -0.00 0.00 0.00 60.37 60.66 3m1r h HIS 102 Cb 0.03 -0.31 -0.09 0.00 -0.00 0.00 0.00 27.41 27.03 3m1r h HIS 102 CO 0.01 0.88 -0.05 0.45 -0.00 0.00 0.00 177.93 179.22 3m1r h HIS 103 N 0.98 -0.13 0.01 2.45 3.86 -0.80 0.09 115.15 121.62 3m1r h HIS 103 Ca 0.22 0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.47 3m1r h HIS 103 Cb 0.31 0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.92 3m1r h HIS 103 CO 0.02 -0.16 -0.00 0.82 0.86 0.00 0.00 177.93 179.47 3m1r h ILE 104 N 0.07 1.09 -0.76 2.45 2.04 -0.69 -1.45 117.51 120.25 3m1r h ILE 104 Ca 0.25 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 3m1r h ILE 104 Cb 0.39 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 3m1r h ILE 104 CO -0.47 0.07 0.34 0.15 0.00 0.00 0.00 178.15 178.24 3m1r h PHE 105 N -0.13 1.12 -0.26 1.37 3.04 -0.76 -3.17 116.94 118.16 3m1r h PHE 105 Ca -0.00 -0.07 -0.16 0.00 3.98 0.00 0.00 57.97 61.72 3m1r h PHE 105 Cb 0.13 -0.34 0.00 0.00 2.56 0.00 0.00 35.95 38.30 3m1r h PHE 105 CO -0.04 0.84 -0.48 1.96 -2.02 0.00 0.00 178.31 178.57 3m1r h GLN 106 N 1.08 0.78 -0.49 1.11 4.20 -0.84 -0.49 115.11 120.47 3m1r h GLN 106 Ca 0.26 -0.49 0.00 0.00 0.06 0.00 0.00 58.65 58.47 3m1r h GLN 106 Cb 0.16 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.00 3m1r h GLN 106 CO -0.03 1.12 0.00 2.41 -0.67 0.00 0.00 178.83 181.66 3m1r n THR 107 N -4.11 0.03 0.00 -0.54 -1.04 -0.56 -1.02 114.28 107.04 3m1r n THR 107 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 3m1r n THR 107 Cb 0.59 -0.24 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 3m1r n THR 107 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 3m1r n HIS 109 N 0.32 0.00 -0.14 -1.42 -0.00 -0.19 -0.44 115.22 113.36 3m1r n HIS 109 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.68 3m1r n HIS 109 Cb 0.11 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.15 3m1r n HIS 109 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3m1r h ALA 110 N 0.00 0.52 0.03 1.57 0.00 -1.32 -1.82 119.26 118.24 3m1r h ALA 110 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3m1r h ALA 110 Cb 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3m1r h ALA 110 CO 0.00 -0.27 -0.03 -0.07 0.00 0.00 0.00 179.25 178.88 3m1r h LEU 111 N 0.28 -0.07 -0.86 0.00 4.07 -0.99 0.12 115.31 117.87 3m1r h LEU 111 Ca 0.21 0.01 0.02 0.00 0.08 0.00 0.00 57.88 58.20 3m1r h LEU 111 Cb 0.24 0.02 -0.05 0.00 1.08 0.00 0.00 40.66 41.96 3m1r h LEU 111 CO -0.25 -0.04 0.56 -0.07 -1.08 0.00 0.00 178.44 177.56 3m1r h LEU 112 N -0.06 0.95 0.00 1.67 -0.00 -1.76 -1.02 115.31 115.09 3m1r h LEU 112 Ca 0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.86 3m1r h LEU 112 Cb 0.06 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.49 3m1r h LEU 112 CO -0.01 0.68 -0.00 0.28 -0.00 0.00 0.00 178.44 179.39 3m1r h SER 113 N 1.12 -0.00 -0.24 -0.43 0.02 -1.05 -2.91 113.55 110.05 3m1r h SER 113 Ca 0.32 -0.52 -0.02 0.00 -0.84 0.00 0.00 61.79 60.73 3m1r h SER 113 Cb -0.08 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 3m1r h SER 113 CO -0.09 0.52 0.09 0.44 -1.14 0.00 0.00 176.83 176.65 3m1r h ASP 114 N -0.52 0.41 -2.76 3.07 3.32 -0.68 -3.34 116.42 115.92 3m1r h ASP 114 Ca -0.00 -0.05 -0.61 0.00 0.02 0.00 0.00 57.03 56.40 3m1r h ASP 114 Cb 0.52 -0.10 -0.40 0.00 0.22 0.00 0.00 39.33 39.56 3m1r h ASP 114 CO 0.00 0.41 -0.76 -1.00 -1.72 0.00 0.00 179.24 176.17 3m1r s HIS 115 N -5.15 2.44 -0.71 4.55 3.76 -0.40 -4.97 115.29 114.82 3m1r s HIS 115 Ca -0.07 -2.88 0.13 0.00 -0.15 0.00 0.00 55.06 52.09 3m1r s HIS 115 Cb 0.16 -1.89 0.62 0.00 1.11 0.00 0.00 32.58 32.59 3m1r s HIS 115 CO 0.74 -0.67 1.41 -0.35 -0.85 0.00 0.00 174.74 175.02 3m1r n PRO 116 N 2.37 0.07 -0.18 8.40 -0.04 -1.10 -0.75 135.00 143.76 3m1r n PRO 116 Ca 0.24 0.45 0.11 0.00 -0.04 0.00 0.00 63.50 64.27 3m1r n PRO 116 Cb 0.41 -1.68 0.26 0.00 -0.04 0.00 0.00 33.50 32.44 3m1r n PRO 116 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3m1r n ASP 117 N -1.82 3.04 -4.71 3.54 10.43 -1.26 -4.93 116.55 120.83 3m1r n ASP 117 Ca 0.01 -1.94 -0.42 0.00 2.57 0.00 0.00 54.79 55.01 3m1r n ASP 117 Cb 0.10 -0.24 -0.03 0.00 1.84 0.00 0.00 41.12 42.78 3m1r n ASP 117 CO 0.00 0.00 0.00 0.86 -1.07 0.00 0.00 177.20 176.99 3m1r s TRP 118 N -1.52 3.46 -0.35 1.24 -0.00 0.07 -0.72 118.94 121.13 3m1r s TRP 118 Ca 0.38 1.34 -0.01 0.00 -0.00 0.00 0.00 56.10 57.81 3m1r s TRP 118 Cb 0.21 -3.39 0.08 0.00 -0.00 0.00 0.00 33.47 30.38 3m1r s TRP 118 CO 0.30 -1.14 0.09 0.08 -0.00 0.00 0.00 176.95 176.29 3m1r s VAL 119 N 1.06 3.00 0.25 5.86 1.01 -0.56 -4.93 120.40 126.10 3m1r s VAL 119 Ca 0.58 -1.82 -0.31 0.00 0.00 0.00 0.00 61.98 60.43 3m1r s VAL 119 Cb -0.28 -2.94 -0.11 0.00 0.00 0.00 0.00 36.38 33.04 3m1r s VAL 119 CO 0.29 -0.43 1.60 -2.84 0.00 0.00 0.00 175.10 173.72 3m1r s PRO 120 N 1.15 4.15 -0.55 2.72 0.02 -1.24 -2.77 135.00 138.48 3m1r s PRO 120 Ca 0.03 2.52 -0.05 0.00 0.02 0.00 0.00 61.00 63.52 3m1r s PRO 120 Cb -0.21 -3.06 0.14 0.00 0.02 0.00 0.00 34.50 31.39 3m1r s PRO 120 CO -0.03 -0.63 0.39 -0.51 -0.33 0.00 0.00 177.00 175.88 3m1r s LEU 121 N 0.14 5.49 -0.21 -5.54 1.02 -0.79 -1.39 118.68 117.40 3m1r s LEU 121 Ca 0.66 -2.40 -0.19 0.00 0.02 0.00 0.00 54.13 52.22 3m1r s LEU 121 Cb -0.47 -1.92 -0.03 0.00 0.02 0.00 0.00 46.19 43.79 3m1r s LEU 121 CO 0.41 -0.51 0.54 -0.63 0.02 0.00 0.00 176.35 176.18 3m1r s ILE 122 N 0.61 5.08 -0.45 -0.59 1.01 0.88 -1.57 121.20 126.17 3m1r s ILE 122 Ca 0.12 0.98 -0.15 0.00 0.00 0.00 0.00 60.65 61.60 3m1r s ILE 122 Cb -0.21 -3.86 0.05 0.00 0.01 0.00 0.00 42.46 38.45 3m1r s ILE 122 CO -0.03 0.15 0.36 -0.76 0.00 0.00 0.00 174.94 174.65 3m1r s LEU 123 N 1.82 5.43 1.02 2.97 1.02 0.02 -1.00 118.68 129.95 3m1r s LEU 123 Ca 0.24 -1.17 -0.14 0.00 0.02 0.00 0.00 54.13 53.08 3m1r s LEU 123 Cb -0.15 -2.17 0.20 0.00 0.02 0.00 0.00 46.19 44.08 3m1r s LEU 123 CO 0.10 -0.57 1.13 -0.83 0.02 0.00 0.00 176.35 176.20 3m1r s GLY 124 N 2.26 1.59 0.00 -3.19 0.00 0.42 -0.44 107.32 107.96 3m1r s GLY 124 Ca 0.04 -0.65 0.00 0.00 0.00 0.00 0.00 44.72 44.11 3m1r s GLY 124 CO 0.08 0.03 0.00 0.61 0.00 0.00 0.00 173.10 173.82 3m1r n GLY 125 N -1.69 -1.05 3.34 0.20 0.00 -0.67 -3.40 105.19 101.92 3m1r n GLY 125 Ca 0.08 -1.53 -0.20 0.00 0.00 0.00 0.00 46.02 44.37 3m1r n GLY 125 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3m1r n ASP 126 N -1.19 1.19 0.28 1.61 5.68 0.98 -2.51 116.55 122.60 3m1r n ASP 126 Ca 0.00 -2.00 0.16 0.00 -0.50 0.00 0.00 54.79 52.46 3m1r n ASP 126 Cb 0.00 -0.55 0.81 0.00 -1.14 0.00 0.00 41.12 40.25 3m1r n ASP 126 CO 0.00 0.00 0.00 -1.13 -1.33 0.00 0.00 177.20 174.74 3m1r h ASN 127 N -0.48 0.00 0.42 -1.12 -0.00 -1.90 -2.97 115.58 109.53 3m1r h ASN 127 Ca -0.28 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.02 3m1r h ASN 127 Cb 1.05 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.37 3m1r h ASN 127 CO 0.31 0.06 -0.01 0.77 -0.00 0.00 0.00 177.43 178.55 3m1r h SER 128 N 0.00 0.00 0.76 1.15 4.64 -1.82 -2.62 113.55 115.66 3m1r h SER 128 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m1r h SER 128 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3m1r h SER 128 CO 0.01 0.01 0.00 0.16 -0.87 0.00 0.00 176.83 176.14 3m1r h ILE 129 N 0.00 0.00 0.00 0.95 3.07 -1.89 -3.09 117.51 116.55 3m1r h ILE 129 Ca -0.00 -0.33 -0.01 0.00 1.55 0.00 0.00 64.86 66.06 3m1r h ILE 129 Cb 0.23 1.21 -0.00 0.00 -0.27 0.00 0.00 36.82 37.98 3m1r h ILE 129 CO 0.00 0.00 -0.06 0.28 -1.05 0.00 0.00 178.15 177.33 3m1r h SER 130 N 0.00 0.00 0.28 2.16 0.02 -1.72 -1.98 113.55 112.31 3m1r h SER 130 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3m1r h SER 130 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 3m1r h SER 130 CO 0.00 0.06 -0.13 0.22 -1.14 0.00 0.00 176.83 175.83 3m1r h TYR 131 N 0.00 -0.35 -0.44 3.45 3.20 -1.79 -2.87 116.97 118.18 3m1r h TYR 131 Ca -0.00 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.76 3m1r h TYR 131 Cb 0.24 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 3m1r h TYR 131 CO 0.00 -0.03 -0.15 0.77 -1.64 0.00 0.00 178.16 177.11 3m1r h SER 132 N -0.69 0.83 0.23 -2.11 0.02 -1.63 -2.14 113.55 108.07 3m1r h SER 132 Ca -0.04 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 60.63 3m1r h SER 132 Cb 0.47 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.79 3m1r h SER 132 CO 0.06 0.98 -0.11 0.71 -1.14 0.00 0.00 176.83 177.33 3m1r h THR 133 N 0.74 0.80 -0.59 -2.27 1.35 -1.47 -2.63 112.91 108.83 3m1r h THR 133 Ca 0.11 -0.77 0.05 0.00 -0.55 0.00 0.00 66.41 65.25 3m1r h THR 133 Cb 0.66 1.21 -0.05 0.00 -1.73 0.00 0.00 68.15 68.25 3m1r h THR 133 CO 0.05 0.16 0.32 0.40 -0.25 0.00 0.00 175.52 176.20 3m1r h ILE 134 N -0.74 0.98 -0.87 6.82 2.04 -1.58 -1.34 117.51 122.81 3m1r h ILE 134 Ca -0.03 -0.21 0.11 0.00 1.00 0.00 0.00 64.86 65.72 3m1r h ILE 134 Cb 0.50 0.31 -0.06 0.00 -0.74 0.00 0.00 36.82 36.82 3m1r h ILE 134 CO 0.05 0.11 0.57 0.50 0.00 0.00 0.00 178.15 179.38 3m1r h LYS 135 N 0.61 0.80 -0.21 2.37 3.64 -1.41 0.49 116.57 122.87 3m1r h LYS 135 Ca 0.26 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.52 3m1r h LYS 135 Cb 0.14 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3m1r h LYS 135 CO -0.16 0.53 -0.15 0.00 -2.27 0.00 0.00 179.45 177.40 3m1r h ALA 136 N 1.57 0.30 0.37 5.00 0.00 -0.96 -0.25 119.26 125.29 3m1r h ALA 136 Ca 0.41 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3m1r h ALA 136 Cb 0.48 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3m1r h ALA 136 CO -0.18 0.19 -0.36 0.82 0.00 0.00 0.00 179.25 179.72 3m1r h ILE 137 N 0.16 0.27 -1.01 0.00 1.08 -0.44 -1.74 117.51 115.84 3m1r h ILE 137 Ca 0.04 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.61 3m1r h ILE 137 Cb 0.67 0.27 -0.08 0.00 -3.07 0.00 0.00 36.82 34.61 3m1r h ILE 137 CO 0.04 0.00 0.64 0.00 -0.69 0.00 0.00 178.15 178.14 3m1r h ALA 138 N -0.29 1.48 -0.50 1.87 0.00 0.03 0.31 119.26 122.15 3m1r h ALA 138 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3m1r h ALA 138 Cb 0.67 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3m1r h ALA 138 CO -0.06 0.32 0.00 1.04 0.00 0.00 0.00 179.25 180.55 3m1r n GLN 139 N -4.57 2.28 0.00 0.00 6.02 -0.11 -2.76 117.38 118.24 3m1r n GLN 139 Ca 0.18 -1.98 0.00 0.00 -0.01 0.00 0.00 57.00 55.18 3m1r n GLN 139 Cb 0.29 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.10 3m1r n GLN 139 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3m1r n THR 140 N 1.13 0.00 -0.10 5.09 -1.04 -0.67 -4.90 114.28 113.78 3m1r n THR 140 Ca 0.19 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.98 3m1r n THR 140 Cb 0.48 -0.44 -0.07 0.00 -1.82 0.00 0.00 70.33 68.48 3m1r n THR 140 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3m1r n LYS 141 N -1.62 0.44 0.00 -2.82 4.76 0.10 -4.98 118.16 114.03 3m1r n LYS 141 Ca 0.00 0.19 0.00 0.00 -2.87 0.00 0.00 58.31 55.63 3m1r n LYS 141 Cb 0.29 -1.24 0.00 0.00 -1.84 0.00 0.00 35.03 32.24 3m1r n LYS 141 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3m1r n GLY 142 N 1.74 0.96 3.60 0.72 0.00 -1.11 -5.02 105.19 106.07 3m1r n GLY 142 Ca -0.41 -1.92 -0.48 0.00 0.00 0.00 0.00 46.02 43.22 3m1r n GLY 142 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3m1r n THR 143 N 8.53 0.41 -4.98 2.61 -1.04 -1.26 -4.47 114.28 114.08 3m1r n THR 143 Ca 0.00 -0.22 -0.32 0.00 -2.04 0.00 0.00 64.05 61.46 3m1r n THR 143 Cb 0.00 -1.93 -0.14 0.00 -1.82 0.00 0.00 70.33 66.43 3m1r n THR 143 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3m1r s THR 144 N 5.90 2.74 0.10 12.58 2.01 -1.26 -1.09 115.64 136.62 3m1r s THR 144 Ca 1.00 -0.82 -0.10 0.00 0.31 0.00 0.00 61.69 62.08 3m1r s THR 144 Cb -0.68 -2.07 -0.06 0.00 0.01 0.00 0.00 72.50 69.70 3m1r s THR 144 CO 0.48 0.57 0.41 0.00 -0.69 0.00 0.00 174.62 175.39 3m1r s ALA 145 N -0.32 3.72 -0.16 7.40 0.00 0.13 -4.71 121.76 127.82 3m1r s ALA 145 Ca 0.02 -0.38 0.01 0.00 0.00 0.00 0.00 51.96 51.61 3m1r s ALA 145 Cb -0.13 -2.28 0.01 0.00 0.00 0.00 0.00 23.12 20.72 3m1r s ALA 145 CO 0.02 0.57 -0.19 0.08 0.00 0.00 0.00 175.76 176.24 3m1r s VAL 146 N -1.45 2.30 -0.43 0.00 1.01 -0.41 -0.15 120.40 121.27 3m1r s VAL 146 Ca 0.35 -0.89 -0.16 0.00 0.00 0.00 0.00 61.98 61.29 3m1r s VAL 146 Cb -0.14 -1.95 0.03 0.00 0.00 0.00 0.00 36.38 34.32 3m1r s VAL 146 CO 0.19 0.53 0.35 -0.63 0.00 0.00 0.00 175.10 175.55 3m1r s ILE 147 N 0.96 5.21 -0.39 2.22 1.01 -0.18 -0.61 121.20 129.41 3m1r s ILE 147 Ca -0.03 -0.69 -0.11 0.00 0.00 0.00 0.00 60.65 59.82 3m1r s ILE 147 Cb -0.15 -4.00 0.04 0.00 0.01 0.00 0.00 42.46 38.36 3m1r s ILE 147 CO -0.04 -0.40 0.24 -1.58 0.00 0.00 0.00 174.94 173.15 3m1r s GLN 148 N 1.78 2.78 -0.28 2.79 0.74 0.27 -0.41 119.66 127.33 3m1r s GLN 148 Ca 0.06 -1.20 -0.26 0.00 0.05 0.00 0.00 55.36 54.01 3m1r s GLN 148 Cb -0.20 -3.78 0.00 0.00 1.10 0.00 0.00 33.01 30.14 3m1r s GLN 148 CO 0.10 -0.79 0.91 -0.06 -0.55 0.00 0.00 175.29 174.90 3m1r s PHE 149 N 1.53 3.24 -0.27 1.67 0.08 0.10 -0.47 117.98 123.86 3m1r s PHE 149 Ca 0.02 1.10 -0.25 0.00 0.12 0.00 0.00 56.93 57.92 3m1r s PHE 149 Cb -0.21 -3.30 0.11 0.00 -0.57 0.00 0.00 43.02 39.06 3m1r s PHE 149 CO 0.06 -0.56 0.96 0.34 -0.10 0.00 0.00 175.22 175.92 3m1r s ASP 150 N 1.48 -0.51 0.48 1.36 -1.08 -0.12 -1.56 116.67 116.72 3m1r s ASP 150 Ca 0.38 0.98 0.28 0.00 -0.52 0.00 0.00 52.55 53.67 3m1r s ASP 150 Cb -0.14 0.99 0.93 0.00 -1.46 0.00 0.00 42.92 43.23 3m1r s ASP 150 CO 0.11 -0.18 1.82 0.00 0.52 0.00 0.00 175.17 177.44 3m1r h ALA 151 N 4.32 0.99 -3.64 3.66 0.00 -1.78 -2.24 119.26 120.56 3m1r h ALA 151 Ca -0.28 -0.07 -0.61 0.00 0.00 0.00 0.00 54.91 53.95 3m1r h ALA 151 Cb 1.17 -0.01 -0.21 0.00 0.00 0.00 0.00 17.79 18.74 3m1r h ALA 151 CO 0.10 0.10 -0.84 -1.01 0.00 0.00 0.00 179.25 177.60 3m1r s HIS 152 N -3.50 2.00 0.26 0.00 3.76 -1.26 -1.47 115.29 115.07 3m1r s HIS 152 Ca 0.03 -0.41 -0.01 0.00 -0.15 0.00 0.00 55.06 54.52 3m1r s HIS 152 Cb 0.08 -1.07 0.32 0.00 1.11 0.00 0.00 32.58 33.02 3m1r s HIS 152 CO 0.61 0.28 1.72 0.45 -0.85 0.00 0.00 174.74 176.95 3m1r h HIS 153 N 3.87 0.76 -5.83 1.40 3.86 -1.90 -3.48 115.15 113.84 3m1r h HIS 153 Ca -0.47 -0.14 -0.38 0.00 -1.16 0.00 0.00 60.37 58.21 3m1r h HIS 153 Cb 1.18 -0.20 0.14 0.00 1.06 0.00 0.00 27.41 29.59 3m1r h HIS 153 CO 0.62 0.79 -0.71 -0.25 0.86 0.00 0.00 177.93 179.24 3m1r n ASP 154 N -4.16 -4.93 -1.63 2.45 9.92 -1.26 -4.84 116.55 112.10 3m1r n ASP 154 Ca 0.01 -0.58 -0.16 0.00 -0.53 0.00 0.00 54.79 53.53 3m1r n ASP 154 Cb 0.36 -4.97 0.10 0.00 -0.64 0.00 0.00 41.12 35.97 3m1r n ASP 154 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 3m1r n VAL 155 N -4.73 2.63 -1.78 2.53 0.24 -1.12 -2.15 118.33 113.95 3m1r n VAL 155 Ca -0.08 -3.55 -0.38 0.00 -2.04 0.00 0.00 64.34 58.29 3m1r n VAL 155 Cb 0.59 -0.80 0.05 0.00 -1.47 0.00 0.00 33.84 32.21 3m1r n VAL 155 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3m1r s ARG 156 N -3.49 3.02 0.59 7.34 0.52 0.26 -4.65 118.95 122.54 3m1r s ARG 156 Ca 0.49 2.19 -0.19 0.00 -0.52 0.00 0.00 55.73 57.70 3m1r s ARG 156 Cb 0.42 -2.17 -0.03 0.00 0.52 0.00 0.00 34.95 33.68 3m1r s ARG 156 CO 0.00 -1.27 1.25 0.54 0.02 0.00 0.00 175.30 175.85 3m1r s ASN 157 N -1.06 5.10 0.10 0.23 2.20 -1.26 -4.50 114.94 115.75 3m1r s ASN 157 Ca 0.74 2.51 0.23 0.00 -0.94 0.00 0.00 52.86 55.40 3m1r s ASN 157 Cb -0.40 -2.61 0.08 0.00 -2.00 0.00 0.00 41.25 36.33 3m1r s ASN 157 CO 0.46 -1.66 1.06 1.07 -2.94 0.00 0.00 177.10 175.09 3m1r n THR 158 N -1.52 0.31 0.07 0.54 5.66 -1.26 -4.43 114.28 113.64 3m1r n THR 158 Ca 0.13 -0.34 -0.02 0.00 -3.05 0.00 0.00 64.05 60.78 3m1r n THR 158 Cb 0.48 -0.01 -0.06 0.00 -1.55 0.00 0.00 70.33 69.19 3m1r n THR 158 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 3m1r h GLU 159 N 0.00 0.00 -0.13 1.09 3.07 -1.93 -0.92 114.58 115.77 3m1r h GLU 159 Ca 0.00 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.78 3m1r h GLU 159 Cb 0.81 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.72 3m1r h GLU 159 CO 0.00 0.51 -0.25 -0.44 -1.40 0.00 0.00 179.01 177.43 3m1r h ASP 160 N 0.00 0.44 0.00 1.42 5.19 -2.01 -3.38 116.42 118.08 3m1r h ASP 160 Ca -0.10 -0.56 -0.05 0.00 -0.62 0.00 0.00 57.03 55.70 3m1r h ASP 160 Cb 1.61 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.98 3m1r h ASP 160 CO 0.07 0.91 -1.51 0.61 -3.12 0.00 0.00 179.24 176.20 3m1r n GLY 161 N 0.42 -0.46 0.00 2.75 0.00 -1.26 -5.13 105.19 101.51 3m1r n GLY 161 Ca -0.07 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3m1r n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m1r n GLY 162 N 2.08 -1.00 2.93 -0.02 0.00 -0.35 -4.56 105.19 104.27 3m1r n GLY 162 Ca -0.06 -1.96 -0.25 0.00 0.00 0.00 0.00 46.02 43.75 3m1r n GLY 162 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3m1r n PRO 163 N 0.00 1.23 -1.73 1.61 -0.02 -1.26 -4.69 135.00 130.15 3m1r n PRO 163 Ca 0.00 -1.30 -0.29 0.00 -2.02 0.00 0.00 63.50 59.89 3m1r n PRO 163 Cb 0.00 -2.48 0.14 0.00 -0.02 0.00 0.00 33.50 31.14 3m1r n PRO 163 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3m1r s THR 164 N 4.59 1.96 0.30 3.45 -4.23 -1.26 -4.86 115.64 115.58 3m1r s THR 164 Ca 0.39 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.90 3m1r s THR 164 Cb 0.10 -2.88 0.38 0.00 1.34 0.00 0.00 72.50 71.44 3m1r s THR 164 CO 0.06 0.00 1.59 -1.13 -0.54 0.00 0.00 174.62 174.60 3m1r h ASN 165 N -1.49 -0.41 -0.48 3.99 -1.24 -1.80 -2.10 115.58 112.06 3m1r h ASN 165 Ca -0.47 0.26 0.00 0.00 0.71 0.00 0.00 56.30 56.80 3m1r h ASN 165 Cb 1.30 0.44 0.00 0.00 0.73 0.00 0.00 38.32 40.79 3m1r h ASN 165 CO 0.54 -0.31 0.00 0.61 -1.29 0.00 0.00 177.43 176.98 3m1r n GLY 166 N -1.47 1.33 0.40 1.57 0.00 -1.26 -3.65 105.19 102.11 3m1r n GLY 166 Ca 0.21 -0.53 0.09 0.00 0.00 0.00 0.00 46.02 45.80 3m1r n GLY 166 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3m1r n THR 167 N 0.88 0.00 -0.22 2.61 -2.24 -0.79 -0.57 114.28 113.95 3m1r n THR 167 Ca 0.16 -0.28 -0.01 0.00 -2.27 0.00 0.00 64.05 61.66 3m1r n THR 167 Cb 0.44 1.21 0.10 0.00 -2.10 0.00 0.00 70.33 69.98 3m1r n THR 167 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3m1r h PRO 168 N 1.94 0.56 0.00 -0.78 0.11 -1.76 -1.95 132.00 130.12 3m1r h PRO 168 Ca 0.00 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.98 3m1r h PRO 168 Cb 0.63 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 3m1r h PRO 168 CO 0.00 0.37 -0.45 0.74 -0.21 0.00 0.00 178.00 178.45 3m1r h PHE 169 N 0.58 0.00 -0.45 0.65 -1.00 -1.71 -0.87 116.94 114.15 3m1r h PHE 169 Ca 0.30 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 61.01 3m1r h PHE 169 Cb 0.27 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.81 3m1r h PHE 169 CO -0.11 0.45 0.01 -0.09 -1.61 0.00 0.00 178.31 176.97 3m1r h ARG 170 N 0.00 0.78 -0.37 1.51 2.43 -1.46 0.33 114.38 117.60 3m1r h ARG 170 Ca -0.00 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 58.91 3m1r h ARG 170 Cb 1.28 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.74 3m1r h ARG 170 CO 0.06 0.84 0.21 0.00 -1.51 0.00 0.00 179.97 179.57 3m1r h ARG 171 N 0.63 0.52 0.32 0.20 3.08 -1.07 0.11 114.38 118.17 3m1r h ARG 171 Ca 0.13 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3m1r h ARG 171 Cb 0.48 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3m1r h ARG 171 CO 0.02 0.42 -0.15 -0.07 -1.07 0.00 0.00 179.97 179.12 3m1r h LEU 172 N 0.48 -0.36 0.05 3.04 3.38 -1.06 -2.01 115.31 118.82 3m1r h LEU 172 Ca 0.13 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.07 3m1r h LEU 172 Cb 0.05 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3m1r h LEU 172 CO -0.02 -0.19 -0.06 -0.07 0.09 0.00 0.00 178.44 178.18 3m1r h LEU 173 N -0.51 -0.17 -0.95 1.67 -0.00 -0.84 -1.84 115.31 112.67 3m1r h LEU 173 Ca -0.04 0.02 0.06 0.00 -0.00 0.00 0.00 57.88 57.92 3m1r h LEU 173 Cb 0.38 0.06 -0.06 0.00 -0.00 0.00 0.00 40.66 41.04 3m1r h LEU 173 CO 0.07 -0.10 0.61 0.44 -0.00 0.00 0.00 178.44 179.47 3m1r h ASP 174 N -0.13 0.98 0.22 -0.43 3.32 -0.80 -1.95 116.42 117.62 3m1r h ASP 174 Ca 0.01 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3m1r h ASP 174 Cb 0.14 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3m1r h ASP 174 CO -0.03 0.63 -0.12 -0.62 -1.72 0.00 0.00 179.24 177.38 3m1r n GLU 175 N -4.53 0.96 -2.35 3.56 1.02 -0.76 -4.92 120.64 113.62 3m1r n GLU 175 Ca 0.14 -0.44 -0.15 0.00 -0.02 0.00 0.00 57.16 56.70 3m1r n GLU 175 Cb 0.17 -1.49 -0.00 0.00 -0.02 0.00 0.00 31.44 30.10 3m1r n GLU 175 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3m1r n GLU 176 N -0.64 -1.48 -0.07 3.49 1.02 -0.73 -4.92 120.64 117.30 3m1r n GLU 176 Ca 0.16 0.70 -0.15 0.00 -0.02 0.00 0.00 57.16 57.85 3m1r n GLU 176 Cb 0.30 -5.02 -0.05 0.00 -0.02 0.00 0.00 31.44 26.65 3m1r n GLU 176 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3m1r h ILE 177 N -0.13 1.30 -3.00 -3.67 2.04 -1.63 -3.44 117.51 108.98 3m1r h ILE 177 Ca -0.35 -1.66 -0.44 0.00 1.00 0.00 0.00 64.86 63.41 3m1r h ILE 177 Cb 1.26 1.71 -0.14 0.00 -0.74 0.00 0.00 36.82 38.91 3m1r h ILE 177 CO 0.41 0.53 -0.64 0.27 0.00 0.00 0.00 178.15 178.72 3m1r s ILE 178 N -4.12 1.23 0.00 -0.67 -4.36 -1.25 -4.86 121.20 107.17 3m1r s ILE 178 Ca -0.12 -2.05 -0.02 0.00 -0.26 0.00 0.00 60.65 58.21 3m1r s ILE 178 Cb 0.09 -2.52 -0.04 0.00 1.25 0.00 0.00 42.46 41.23 3m1r s ILE 178 CO 0.86 -0.21 0.17 -1.61 0.24 0.00 0.00 174.94 174.40 3m1r s GLU 179 N -3.84 3.39 0.26 0.37 2.02 -1.26 -4.52 118.70 115.12 3m1r s GLU 179 Ca 0.32 -0.36 -0.02 0.00 0.02 0.00 0.00 54.97 54.92 3m1r s GLU 179 Cb 0.06 -3.06 0.47 0.00 0.10 0.00 0.00 34.13 31.71 3m1r s GLU 179 CO 0.12 0.66 1.81 0.78 0.02 0.00 0.00 175.26 178.65 3m1r h GLY 180 N 3.72 1.42 1.44 -1.39 0.00 -1.85 -1.51 103.07 104.90 3m1r h GLY 180 Ca -0.48 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.51 3m1r h GLY 180 CO 0.69 0.11 0.00 0.61 0.00 0.00 0.00 176.54 177.95 3m1r n GLN 181 N -4.72 0.48 -0.36 4.80 0.00 -0.92 -2.11 117.38 114.54 3m1r n GLN 181 Ca 0.16 0.03 0.12 0.00 0.00 0.00 0.00 57.00 57.31 3m1r n GLN 181 Cb 0.33 -1.50 0.32 0.00 0.00 0.00 0.00 30.24 29.39 3m1r n GLN 181 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 3m1r n HIS 182 N -1.22 0.95 -3.86 2.61 8.25 -0.57 -4.80 115.22 116.58 3m1r n HIS 182 Ca 0.14 -0.48 -0.36 0.00 -0.26 0.00 0.00 57.72 56.77 3m1r n HIS 182 Cb 0.18 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.16 3m1r n HIS 182 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3m1r s LEU 183 N -1.04 3.25 -0.31 2.41 0.20 -0.90 -1.29 118.68 121.00 3m1r s LEU 183 Ca 0.49 -0.25 -0.05 0.00 0.69 0.00 0.00 54.13 55.00 3m1r s LEU 183 Cb 0.26 -1.85 0.03 0.00 -0.43 0.00 0.00 46.19 44.20 3m1r s LEU 183 CO 0.34 -0.01 0.06 -0.63 -0.29 0.00 0.00 176.35 175.82 3m1r s ILE 184 N 1.44 3.58 -0.25 6.68 1.01 0.22 -1.76 121.20 132.11 3m1r s ILE 184 Ca 0.05 -1.08 -0.14 0.00 0.00 0.00 0.00 60.65 59.48 3m1r s ILE 184 Cb -0.15 -2.97 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 3m1r s ILE 184 CO 0.01 -0.07 0.33 -1.10 0.00 0.00 0.00 174.94 174.11 3m1r s GLN 185 N 1.39 4.05 -0.16 2.79 -0.21 0.09 -0.57 119.66 127.05 3m1r s GLN 185 Ca -0.01 -0.00 0.00 0.00 0.02 0.00 0.00 55.36 55.37 3m1r s GLN 185 Cb -0.19 -3.62 0.00 0.00 1.00 0.00 0.00 33.01 30.21 3m1r s GLN 185 CO 0.01 -0.18 -0.16 -0.51 -2.12 0.00 0.00 175.29 172.33 3m1r s LEU 186 N 1.76 2.41 0.00 2.90 1.43 0.38 -1.22 118.68 126.34 3m1r s LEU 186 Ca 0.14 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 3m1r s LEU 186 Cb -0.15 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.52 3m1r s LEU 186 CO 0.09 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.35 3m1r n GLY 187 N 4.16 1.05 3.67 -3.19 0.00 -0.25 -0.95 105.19 109.68 3m1r n GLY 187 Ca -0.19 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.36 3m1r n GLY 187 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3m1r n ILE 188 N -1.82 0.30 -4.52 -0.61 2.08 -0.84 -3.91 119.36 110.03 3m1r n ILE 188 Ca 0.00 -0.05 -0.34 0.00 0.56 0.00 0.00 62.75 62.92 3m1r n ILE 188 Cb 0.00 -1.71 -0.11 0.00 -0.75 0.00 0.00 39.64 37.06 3m1r n ILE 188 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 3m1r s ARG 189 N 2.52 3.07 0.05 0.38 3.52 -0.54 -4.28 118.95 123.67 3m1r s ARG 189 Ca 0.86 -0.52 -0.35 0.00 -0.13 0.00 0.00 55.73 55.59 3m1r s ARG 189 Cb -0.68 -2.72 -0.14 0.00 -1.56 0.00 0.00 34.95 29.85 3m1r s ARG 189 CO 0.45 0.54 1.65 -1.91 -0.81 0.00 0.00 175.30 175.22 3m1r n GLU 190 N 2.61 1.97 -1.01 5.12 4.07 -1.26 -1.73 120.64 130.42 3m1r n GLU 190 Ca -0.18 0.72 -0.00 0.00 -0.06 0.00 0.00 57.16 57.63 3m1r n GLU 190 Cb 0.53 -2.49 -0.00 0.00 -0.06 0.00 0.00 31.44 29.42 3m1r n GLU 190 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 3m1r n PHE 191 N 4.43 0.00 0.69 4.31 3.01 -1.26 -4.90 117.46 123.75 3m1r n PHE 191 Ca 0.19 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.77 3m1r n PHE 191 Cb 0.27 -0.43 0.14 0.00 -0.01 0.00 0.00 39.48 39.44 3m1r n PHE 191 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3m1r n SER 192 N -0.09 3.09 -4.16 4.37 7.64 -0.71 -5.04 113.62 118.72 3m1r n SER 192 Ca -0.00 -1.96 -0.10 0.00 1.01 0.00 0.00 58.87 57.82 3m1r n SER 192 Cb 0.10 -0.09 -0.10 0.00 -1.01 0.00 0.00 64.21 63.11 3m1r n SER 192 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3m1r s ASN 193 N -1.72 0.43 0.09 6.43 0.01 -1.26 -4.77 114.94 114.15 3m1r s ASN 193 Ca 0.31 -1.20 0.03 0.00 -0.71 0.00 0.00 52.86 51.29 3m1r s ASN 193 Cb 0.20 0.27 -0.04 0.00 0.41 0.00 0.00 41.25 42.09 3m1r s ASN 193 CO 0.29 -0.70 0.13 -0.44 -1.51 0.00 0.00 177.10 174.87 3m1r s SER 194 N -3.06 5.75 0.19 -1.22 0.01 -1.26 -5.03 113.70 109.09 3m1r s SER 194 Ca 0.23 0.04 -0.12 0.00 1.31 0.00 0.00 55.95 57.42 3m1r s SER 194 Cb 0.07 -1.60 0.16 0.00 0.21 0.00 0.00 66.02 64.86 3m1r s SER 194 CO 0.02 0.15 1.82 -0.61 0.41 0.00 0.00 173.24 175.02 3m1r h GLN 195 N 3.02 0.65 -0.41 12.44 4.15 -2.02 -1.51 115.11 131.44 3m1r h GLN 195 Ca -0.47 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 58.91 3m1r h GLN 195 Cb 1.17 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.70 3m1r h GLN 195 CO 0.68 0.43 0.24 0.00 -1.93 0.00 0.00 178.83 178.24 3m1r h ALA 196 N 1.28 0.52 -0.13 3.38 0.00 -1.99 -1.32 119.26 121.00 3m1r h ALA 196 Ca 0.25 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 3m1r h ALA 196 Cb 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3m1r h ALA 196 CO -0.13 0.02 -0.57 1.88 0.00 0.00 0.00 179.25 180.46 3m1r h TYR 197 N 0.53 0.52 -0.54 0.00 0.05 -1.85 0.59 116.97 116.28 3m1r h TYR 197 Ca 0.15 -0.19 -0.03 0.00 0.05 0.00 0.00 58.73 58.70 3m1r h TYR 197 Cb 0.02 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 37.64 3m1r h TYR 197 CO -0.03 0.88 0.20 1.49 -1.05 0.00 0.00 178.16 179.65 3m1r h GLU 198 N 0.31 0.81 -0.94 4.88 4.81 -1.18 -2.00 114.58 121.27 3m1r h GLU 198 Ca 0.00 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.08 3m1r h GLU 198 Cb 1.09 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 30.30 3m1r h GLU 198 CO 0.10 0.72 0.58 0.00 -0.73 0.00 0.00 179.01 179.68 3m1r h ALA 199 N 1.05 1.19 -0.26 2.92 0.00 -0.70 -2.06 119.26 121.40 3m1r h ALA 199 Ca 0.18 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3m1r h ALA 199 Cb 0.22 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3m1r h ALA 199 CO -0.01 0.63 -0.16 -0.92 0.00 0.00 0.00 179.25 178.80 3m1r h TYR 200 N 1.29 0.49 0.00 0.00 3.20 -0.49 -0.74 116.97 120.71 3m1r h TYR 200 Ca 0.34 -0.08 -0.13 0.00 3.14 0.00 0.00 58.73 62.00 3m1r h TYR 200 Cb -0.08 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 3m1r h TYR 200 CO 0.00 0.59 -0.62 0.00 -1.64 0.00 0.00 178.16 176.50 3m1r h ALA 201 N 1.42 0.84 -0.02 1.82 0.00 -1.05 -3.02 119.26 119.25 3m1r h ALA 201 Ca 0.08 -0.57 -0.19 0.00 0.00 0.00 0.00 54.91 54.23 3m1r h ALA 201 Cb 0.52 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.23 3m1r h ALA 201 CO 0.03 0.78 -0.74 0.87 0.00 0.00 0.00 179.25 180.19 3m1r h LYS 202 N 0.00 0.53 -0.84 0.00 1.57 -0.77 0.35 116.57 117.41 3m1r h LYS 202 Ca -0.01 -0.55 0.15 0.00 -1.87 0.00 0.00 60.65 58.37 3m1r h LYS 202 Cb 1.20 0.15 -0.10 0.00 0.08 0.00 0.00 32.23 33.56 3m1r h LYS 202 CO 0.08 1.18 0.41 -0.22 -0.57 0.00 0.00 179.45 180.33 3m1r h LYS 203 N 0.10 0.57 -0.07 3.15 1.63 -1.18 0.52 116.57 121.29 3m1r h LYS 203 Ca -0.09 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 3m1r h LYS 203 Cb 1.42 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 3m1r h LYS 203 CO 0.15 0.38 0.00 0.72 -3.45 0.00 0.00 179.45 177.24 3m1r n HIS 204 N -4.90 0.09 -3.47 1.91 8.25 -1.14 -4.91 115.22 111.05 3m1r n HIS 204 Ca 0.17 -0.05 -0.20 0.00 -0.26 0.00 0.00 57.72 57.38 3m1r n HIS 204 Cb 0.44 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.63 3m1r n HIS 204 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3m1r n ASN 205 N -0.27 -4.79 -4.76 0.41 3.02 0.17 -3.74 115.26 105.30 3m1r n ASN 205 Ca 0.16 -0.53 -0.39 0.00 -0.03 0.00 0.00 54.58 53.78 3m1r n ASN 205 Cb 0.20 -4.79 -0.05 0.00 -0.61 0.00 0.00 39.78 34.53 3m1r n ASN 205 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3m1r s VAL 206 N -3.31 3.78 -0.60 2.41 1.01 0.09 -2.17 120.40 121.60 3m1r s VAL 206 Ca 0.37 1.66 -0.26 0.00 0.00 0.00 0.00 61.98 63.76 3m1r s VAL 206 Cb -0.16 -4.01 0.04 0.00 0.00 0.00 0.00 36.38 32.25 3m1r s VAL 206 CO 0.68 0.30 1.07 0.20 0.00 0.00 0.00 175.10 177.35 3m1r s ASN 207 N -1.20 6.33 -0.23 3.32 0.01 -0.72 -4.81 114.94 117.64 3m1r s ASN 207 Ca 0.47 -0.30 -0.09 0.00 -0.71 0.00 0.00 52.86 52.23 3m1r s ASN 207 Cb -0.27 -2.49 -0.04 0.00 0.41 0.00 0.00 41.25 38.86 3m1r s ASN 207 CO 0.34 -1.42 0.11 -0.63 -1.51 0.00 0.00 177.10 173.98 3m1r s ILE 208 N 4.54 4.87 -0.31 0.60 1.01 -1.26 -0.73 121.20 129.92 3m1r s ILE 208 Ca 0.34 0.01 0.03 0.00 0.00 0.00 0.00 60.65 61.03 3m1r s ILE 208 Cb -0.11 -3.26 0.09 0.00 0.01 0.00 0.00 42.46 39.19 3m1r s ILE 208 CO 0.19 0.37 0.02 -1.00 0.00 0.00 0.00 174.94 174.52 3m1r s HIS 209 N 1.10 3.24 0.00 3.97 3.76 -0.36 -4.99 115.29 122.01 3m1r s HIS 209 Ca 0.06 -2.58 0.00 0.00 -0.15 0.00 0.00 55.06 52.38 3m1r s HIS 209 Cb -0.14 -2.46 0.00 0.00 1.11 0.00 0.00 32.58 31.09 3m1r s HIS 209 CO 0.04 -0.91 0.00 0.25 -0.85 0.00 0.00 174.74 173.27 3m1r n THR 210 N 4.41 0.00 -0.64 1.30 -2.24 -1.26 -1.09 114.28 114.76 3m1r n THR 210 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3m1r n THR 210 Cb 0.42 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 3m1r n THR 210 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3m1r n ASP 212 N 0.00 0.00 0.00 3.42 2.03 -1.26 -4.56 116.55 116.18 3m1r n ASP 212 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3m1r n ASP 212 Cb 0.00 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 39.99 3m1r n ASP 212 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 3m1r n ILE 214 N -0.64 0.00 0.05 5.18 5.41 -1.26 -2.25 119.36 125.85 3m1r n ILE 214 Ca 0.00 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.66 3m1r n ILE 214 Cb 0.00 0.00 0.05 0.00 -0.71 0.00 0.00 39.64 38.98 3m1r n ILE 214 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3m1r h ARG 215 N 0.00 0.42 0.12 0.38 2.47 -1.91 0.88 114.38 116.74 3m1r h ARG 215 Ca 0.00 -0.31 -0.29 0.00 -1.26 0.00 0.00 59.98 58.12 3m1r h ARG 215 Cb 0.00 0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.38 3m1r h ARG 215 CO 0.00 0.94 -1.38 1.05 0.56 0.00 0.00 179.97 181.14 3m1r h GLU 216 N 0.30 0.26 0.00 0.04 4.11 -1.86 -3.37 114.58 114.06 3m1r h GLU 216 Ca -0.02 -0.45 -0.21 0.00 0.07 0.00 0.00 59.36 58.75 3m1r h GLU 216 Cb 1.23 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.61 3m1r h GLU 216 CO 0.12 1.17 -1.84 1.17 0.07 0.00 0.00 179.01 179.70 3m1r n LYS 217 N -3.49 0.65 0.00 1.06 3.00 -1.22 -5.09 118.16 113.07 3m1r n LYS 217 Ca -0.12 0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 3m1r n LYS 217 Cb 1.03 -1.67 0.00 0.00 0.00 0.00 0.00 35.03 34.39 3m1r n LYS 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3m1r n GLY 218 N 1.50 0.35 0.21 3.14 0.00 0.31 -4.49 105.19 106.19 3m1r n GLY 218 Ca -0.17 -1.41 -0.14 0.00 0.00 0.00 0.00 46.02 44.30 3m1r n GLY 218 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3m1r h LEU 219 N 0.00 -0.41 -0.29 0.99 5.85 -1.95 -0.03 115.31 119.47 3m1r h LEU 219 Ca 0.00 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3m1r h LEU 219 Cb 0.00 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3m1r h LEU 219 CO 0.00 -0.26 0.10 0.40 -0.34 0.00 0.00 178.44 178.34 3m1r h ILE 220 N -0.41 1.19 -0.83 4.05 1.08 -1.93 -1.55 117.51 119.11 3m1r h ILE 220 Ca -0.02 -0.60 0.02 0.00 -0.39 0.00 0.00 64.86 63.86 3m1r h ILE 220 Cb 0.34 1.04 -0.04 0.00 -3.07 0.00 0.00 36.82 35.09 3m1r h ILE 220 CO 0.02 0.20 0.55 -0.65 -0.69 0.00 0.00 178.15 177.58 3m1r h PRO 221 N 0.32 1.06 -0.88 2.37 0.11 -1.80 -1.41 132.00 131.77 3m1r h PRO 221 Ca 0.10 -0.06 0.05 0.00 0.11 0.00 0.00 66.00 66.19 3m1r h PRO 221 Cb 0.22 -0.24 -0.06 0.00 0.11 0.00 0.00 31.00 31.03 3m1r h PRO 221 CO -0.01 0.70 0.55 1.15 -0.21 0.00 0.00 178.00 180.19 3m1r h THR 222 N 1.09 1.08 -0.29 -1.15 2.02 -0.46 -1.33 112.91 113.86 3m1r h THR 222 Ca 0.31 -0.35 -0.17 0.00 0.77 0.00 0.00 66.41 66.97 3m1r h THR 222 Cb -0.07 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.29 3m1r h THR 222 CO -0.08 0.19 -0.48 0.40 0.37 0.00 0.00 175.52 175.93 3m1r h ILE 223 N 1.03 1.29 -0.42 3.11 2.04 -0.82 -2.83 117.51 120.91 3m1r h ILE 223 Ca 0.37 -1.67 -0.04 0.00 1.00 0.00 0.00 64.86 64.52 3m1r h ILE 223 Cb 0.11 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 3m1r h ILE 223 CO -0.15 0.54 0.08 0.11 0.00 0.00 0.00 178.15 178.73 3m1r h LYS 224 N 0.62 0.63 -0.31 2.37 1.57 -0.89 0.34 116.57 120.91 3m1r h LYS 224 Ca 0.03 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 3m1r h LYS 224 Cb 1.05 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 3m1r h LYS 224 CO 0.10 0.60 -0.16 1.49 -0.57 0.00 0.00 179.45 180.91 3m1r h GLU 225 N 0.61 0.54 0.00 3.15 4.81 -1.10 -3.36 114.58 119.23 3m1r h GLU 225 Ca 0.14 -0.17 -0.26 0.00 -0.13 0.00 0.00 59.36 58.93 3m1r h GLU 225 Cb 0.27 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 3m1r h GLU 225 CO 0.00 0.68 -1.98 1.51 -0.73 0.00 0.00 179.01 178.49 3m1r n ILE 226 N -4.17 0.99 -0.09 2.32 0.13 -0.98 -4.69 119.36 112.87 3m1r n ILE 226 Ca 0.00 -0.53 -0.10 0.00 -1.10 0.00 0.00 62.75 61.03 3m1r n ILE 226 Cb 0.35 -0.79 -0.02 0.00 -0.84 0.00 0.00 39.64 38.34 3m1r n ILE 226 CO 0.00 0.00 0.00 0.25 2.80 0.00 0.00 176.55 179.60 3m1r h LEU 227 N 0.00 0.39 -0.93 9.51 5.85 -0.48 -2.86 115.31 126.80 3m1r h LEU 227 Ca -0.39 -0.12 0.15 0.00 0.84 0.00 0.00 57.88 58.37 3m1r h LEU 227 Cb 1.79 -0.10 -0.10 0.00 0.37 0.00 0.00 40.66 42.62 3m1r h LEU 227 CO -0.01 0.40 0.53 -0.65 -0.34 0.00 0.00 178.44 178.37 3m1r h PRO 228 N 0.35 0.72 -0.65 5.25 0.11 -1.78 0.96 132.00 136.95 3m1r h PRO 228 Ca 0.10 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.13 3m1r h PRO 228 Cb 0.11 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.03 3m1r h PRO 228 CO -0.01 0.48 0.24 0.28 -0.21 0.00 0.00 178.00 178.77 3m1r h VAL 229 N 0.74 1.24 -0.14 3.15 2.07 -1.78 -2.88 116.25 118.65 3m1r h VAL 229 Ca 0.51 -0.79 -0.21 0.00 0.82 0.00 0.00 66.70 67.03 3m1r h VAL 229 Cb 0.69 0.53 0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3m1r h VAL 229 CO -0.35 0.31 -0.72 0.58 0.02 0.00 0.00 177.57 177.41 3m1r h VAL 230 N 0.93 1.30 -0.45 2.57 2.07 -1.04 -3.02 116.25 118.61 3m1r h VAL 230 Ca 0.22 -1.94 0.12 0.00 0.82 0.00 0.00 66.70 65.92 3m1r h VAL 230 Cb 0.24 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 3m1r h VAL 230 CO -0.01 0.61 0.32 1.56 0.02 0.00 0.00 177.57 180.07 3m1r h GLN 231 N 0.44 0.04 0.00 1.57 4.20 -0.84 -1.22 115.11 119.30 3m1r h GLN 231 Ca -0.05 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3m1r h GLN 231 Cb 1.36 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.13 3m1r h GLN 231 CO 0.15 0.03 0.00 -0.44 -0.67 0.00 0.00 178.83 177.90 3m1r h ASP 232 N 0.04 0.00 -0.20 1.46 3.32 -1.37 -2.94 116.42 116.73 3m1r h ASP 232 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3m1r h ASP 232 Cb 0.80 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.35 3m1r h ASP 232 CO -0.01 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.80 3m1r n LYS 233 N -2.66 1.77 -4.06 3.56 5.02 -0.48 -5.03 118.16 116.29 3m1r n LYS 233 Ca 0.03 -1.72 -0.08 0.00 -2.02 0.00 0.00 58.31 54.52 3m1r n LYS 233 Cb 0.36 -1.31 -0.09 0.00 -0.02 0.00 0.00 35.03 33.96 3m1r n LYS 233 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3m1r s THR 234 N -1.14 0.18 -0.16 -0.18 -4.23 -1.11 -4.99 115.64 104.01 3m1r s THR 234 Ca 0.23 -1.71 0.17 0.00 -1.18 0.00 0.00 61.69 59.20 3m1r s THR 234 Cb 0.14 -1.61 -0.25 0.00 1.34 0.00 0.00 72.50 72.12 3m1r s THR 234 CO 0.19 -0.81 0.23 0.47 -0.54 0.00 0.00 174.62 174.16 3m1r n ASP 235 N 0.03 0.18 -4.07 3.99 8.00 -0.25 -4.85 116.55 119.59 3m1r n ASP 235 Ca -0.12 0.09 -0.07 0.00 0.71 0.00 0.00 54.79 55.39 3m1r n ASP 235 Cb 0.62 0.85 -0.10 0.00 -0.02 0.00 0.00 41.12 42.47 3m1r n ASP 235 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3m1r s PHE 236 N -2.59 0.48 -0.01 1.24 0.40 -0.98 -4.80 117.98 111.72 3m1r s PHE 236 Ca -0.09 -0.99 0.08 0.00 -0.60 0.00 0.00 56.93 55.33 3m1r s PHE 236 Cb 0.07 -0.35 -0.02 0.00 0.51 0.00 0.00 43.02 43.23 3m1r s PHE 236 CO 0.83 -0.38 -0.25 0.96 0.70 0.00 0.00 175.22 177.09 3m1r s ILE 237 N -3.72 1.97 -0.08 0.64 -4.36 -0.55 0.21 121.20 115.31 3m1r s ILE 237 Ca 0.05 -1.11 0.04 0.00 -0.26 0.00 0.00 60.65 59.38 3m1r s ILE 237 Cb 0.06 -1.64 -0.00 0.00 1.25 0.00 0.00 42.46 42.13 3m1r s ILE 237 CO -0.09 0.52 -0.22 0.12 0.24 0.00 0.00 174.94 175.50 3m1r s PHE 238 N -0.62 2.31 -0.31 1.37 5.36 0.79 0.23 117.98 127.12 3m1r s PHE 238 Ca 0.10 -0.85 -0.11 0.00 -0.96 0.00 0.00 56.93 55.12 3m1r s PHE 238 Cb -0.10 -1.55 -0.02 0.00 -0.34 0.00 0.00 43.02 41.01 3m1r s PHE 238 CO -0.00 -0.32 0.18 0.42 -1.46 0.00 0.00 175.22 174.03 3m1r s ILE 239 N 0.21 4.91 -0.31 3.12 1.01 -0.53 -1.01 121.20 128.59 3m1r s ILE 239 Ca -0.13 -0.23 -0.05 0.00 0.00 0.00 0.00 60.65 60.24 3m1r s ILE 239 Cb -0.16 -3.46 0.03 0.00 0.01 0.00 0.00 42.46 38.88 3m1r s ILE 239 CO 0.06 0.10 0.07 -0.55 0.00 0.00 0.00 174.94 174.62 3m1r s SER 240 N 1.67 5.12 -0.38 3.58 0.15 0.45 -1.20 113.70 123.10 3m1r s SER 240 Ca 0.06 -1.04 -0.12 0.00 0.70 0.00 0.00 55.95 55.55 3m1r s SER 240 Cb -0.17 -1.83 0.02 0.00 -1.71 0.00 0.00 66.02 62.33 3m1r s SER 240 CO 0.08 -0.27 0.24 -0.69 1.20 0.00 0.00 173.24 173.80 3m1r s VAL 241 N 1.40 4.82 0.00 4.45 1.01 0.23 -0.72 120.40 131.58 3m1r s VAL 241 Ca -0.01 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.22 3m1r s VAL 241 Cb -0.19 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.52 3m1r s VAL 241 CO 0.02 -0.24 0.00 -0.67 0.00 0.00 0.00 175.10 174.21 3m1r n ASP 242 N 5.05 0.00 0.00 3.32 -0.08 -0.60 -0.51 116.55 123.74 3m1r n ASP 242 Ca -0.12 -0.61 0.00 0.00 -1.51 0.00 0.00 54.79 52.55 3m1r n ASP 242 Cb 0.47 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.93 3m1r n ASP 242 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 3m1r n ASP 244 N -1.83 0.00 0.28 1.67 5.68 -1.26 -4.50 116.55 116.58 3m1r n ASP 244 Ca 0.00 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.43 3m1r n ASP 244 Cb 0.00 0.00 0.84 0.00 -1.14 0.00 0.00 41.12 40.82 3m1r n ASP 244 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 3m1r h VAL 245 N 0.00 0.52 -4.05 2.12 3.04 -1.89 -3.40 116.25 112.58 3m1r h VAL 245 Ca 0.00 -0.25 -0.45 0.00 -1.01 0.00 0.00 66.70 64.98 3m1r h VAL 245 Cb 0.00 1.16 -0.00 0.00 -2.01 0.00 0.00 31.29 30.44 3m1r h VAL 245 CO 0.00 0.05 0.36 -0.76 -1.01 0.00 0.00 177.57 176.21 3m1r s LEU 246 N -7.42 3.94 0.47 3.16 1.43 -1.26 -1.29 118.68 117.71 3m1r s LEU 246 Ca -0.04 1.80 -0.24 0.00 -1.03 0.00 0.00 54.13 54.62 3m1r s LEU 246 Cb 0.14 -4.51 -0.07 0.00 0.03 0.00 0.00 46.19 41.78 3m1r s LEU 246 CO 0.56 -0.50 1.36 -0.62 0.23 0.00 0.00 176.35 177.38 3m1r s ASP 247 N -2.06 5.78 0.47 2.29 2.15 0.36 -4.63 116.67 121.02 3m1r s ASP 247 Ca 0.63 2.77 0.19 0.00 0.43 0.00 0.00 52.55 56.57 3m1r s ASP 247 Cb -0.13 -2.64 1.18 0.00 -0.30 0.00 0.00 42.92 41.03 3m1r s ASP 247 CO 0.17 -1.23 1.96 0.06 -0.17 0.00 0.00 175.17 175.96 3m1r h GLN 248 N 2.08 0.25 0.00 4.34 3.07 -1.66 0.24 115.11 123.43 3m1r h GLN 248 Ca -0.51 -0.02 -0.02 0.00 0.09 0.00 0.00 58.65 58.20 3m1r h GLN 248 Cb 1.27 -0.06 -0.00 0.00 0.08 0.00 0.00 27.48 28.77 3m1r h GLN 248 CO 0.60 0.17 -0.10 0.66 0.09 0.00 0.00 178.83 180.25 3m1r h SER 249 N 0.26 0.00 0.05 0.06 4.64 -1.90 -2.60 113.55 114.06 3m1r h SER 249 Ca 0.31 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.46 3m1r h SER 249 Cb 0.85 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.91 3m1r h SER 249 CO -0.07 0.10 -2.12 1.41 -0.87 0.00 0.00 176.83 175.28 3m1r n HIS 250 N -3.38 0.07 -3.35 4.77 8.25 0.71 -4.69 115.22 117.59 3m1r n HIS 250 Ca -0.01 0.02 -0.26 0.00 -0.26 0.00 0.00 57.72 57.21 3m1r n HIS 250 Cb 0.28 -0.75 -0.09 0.00 1.12 0.00 0.00 29.99 30.55 3m1r n HIS 250 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m1r n ALA 251 N -2.47 2.86 0.46 -1.41 0.00 -0.40 -4.74 120.51 114.80 3m1r n ALA 251 Ca -0.17 -3.54 0.09 0.00 0.00 0.00 0.00 53.44 49.83 3m1r n ALA 251 Cb 0.84 -0.82 0.39 0.00 0.00 0.00 0.00 19.45 19.86 3m1r n ALA 251 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3m1r n PRO 252 N 1.94 0.09 -0.64 0.00 -0.04 -0.99 -3.21 135.00 132.15 3m1r n PRO 252 Ca 0.25 0.33 0.05 0.00 -0.04 0.00 0.00 63.50 64.09 3m1r n PRO 252 Cb 0.48 -1.67 0.29 0.00 -0.04 0.00 0.00 33.50 32.57 3m1r n PRO 252 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3m1r n GLY 253 N 0.02 2.55 3.86 0.55 0.00 -1.26 -4.59 105.19 106.33 3m1r n GLY 253 Ca 0.03 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 3m1r n GLY 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m1r h PRO 255 N 4.52 -0.46 -4.76 0.00 0.11 -1.91 -3.28 132.00 126.21 3m1r h PRO 255 Ca -0.52 0.03 -0.72 0.00 0.11 0.00 0.00 66.00 64.90 3m1r h PRO 255 Cb 1.21 0.10 -0.19 0.00 0.11 0.00 0.00 31.00 32.24 3m1r h PRO 255 CO 0.62 -0.31 0.96 0.00 -0.21 0.00 0.00 178.00 179.06 3m1r s ALA 256 N -5.97 3.73 0.26 -0.75 0.00 -1.26 -5.00 121.76 112.76 3m1r s ALA 256 Ca -0.16 -3.09 -0.04 0.00 0.00 0.00 0.00 51.96 48.68 3m1r s ALA 256 Cb 0.09 -4.02 -0.05 0.00 0.00 0.00 0.00 23.12 19.15 3m1r s ALA 256 CO 0.65 -2.81 0.50 0.96 0.00 0.00 0.00 175.76 175.06 3m1r s ILE 257 N 1.88 5.08 -0.10 0.00 -4.36 -1.24 -4.88 121.20 117.58 3m1r s ILE 257 Ca 0.35 -0.08 -0.33 0.00 -0.26 0.00 0.00 60.65 60.33 3m1r s ILE 257 Cb -0.05 -3.73 0.14 0.00 1.25 0.00 0.00 42.46 40.07 3m1r s ILE 257 CO -0.06 -0.27 1.34 -0.83 0.24 0.00 0.00 174.94 175.36 3m1r s GLY 258 N -3.16 -0.40 0.76 6.27 0.00 -1.26 -5.01 107.32 104.52 3m1r s GLY 258 Ca 0.42 1.06 -0.12 0.00 0.00 0.00 0.00 44.72 46.09 3m1r s GLY 258 CO 0.30 0.26 1.12 2.56 0.00 0.00 0.00 173.10 177.34 3m1r s PRO 259 N -2.25 2.43 0.00 2.90 0.04 -1.26 -1.98 135.00 134.88 3m1r s PRO 259 Ca 0.13 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.58 3m1r s PRO 259 Cb 0.04 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.60 3m1r s PRO 259 CO -0.05 -1.32 0.00 0.41 0.04 0.00 0.00 177.00 176.08 3m1r n GLY 260 N -2.87 1.00 2.28 0.56 0.00 -1.26 -4.92 105.19 99.99 3m1r n GLY 260 Ca 0.07 -0.47 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 3m1r n GLY 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m1r n GLY 261 N -1.60 3.08 3.75 -0.02 0.00 -1.26 -4.93 105.19 104.21 3m1r n GLY 261 Ca 0.00 -2.26 -0.33 0.00 0.00 0.00 0.00 46.02 43.43 3m1r n GLY 261 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m1r s LEU 262 N 0.00 3.32 0.07 0.99 1.43 -0.41 -4.19 118.68 119.89 3m1r s LEU 262 Ca 0.15 2.10 0.01 0.00 -1.03 0.00 0.00 54.13 55.35 3m1r s LEU 262 Cb -0.01 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.61 3m1r s LEU 262 CO 0.09 -1.91 0.19 -0.31 0.23 0.00 0.00 176.35 174.64 3m1r s TYR 263 N -2.29 3.46 0.23 0.29 1.51 -1.26 -0.49 117.35 118.79 3m1r s TYR 263 Ca 0.69 0.21 -0.08 0.00 -1.01 0.00 0.00 57.07 56.88 3m1r s TYR 263 Cb -0.23 -1.73 0.25 0.00 -0.11 0.00 0.00 41.96 40.14 3m1r s TYR 263 CO 0.44 0.58 1.86 1.15 -1.11 0.00 0.00 175.55 178.47 3m1r h THR 264 N 2.16 1.11 -0.68 -0.71 2.02 -1.96 -2.23 112.91 112.62 3m1r h THR 264 Ca -0.45 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.37 3m1r h THR 264 Cb 1.16 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 3m1r h THR 264 CO 0.74 0.18 0.37 -2.24 0.37 0.00 0.00 175.52 174.94 3m1r h ASP 265 N 0.99 0.84 -0.39 4.18 3.04 -1.99 0.28 116.42 123.37 3m1r h ASP 265 Ca 0.33 -0.06 0.03 0.00 -3.24 0.00 0.00 57.03 54.08 3m1r h ASP 265 Cb 0.03 -0.21 -0.03 0.00 -1.04 0.00 0.00 39.33 38.08 3m1r h ASP 265 CO -0.12 0.67 0.19 -0.08 -2.04 0.00 0.00 179.24 177.86 3m1r h GLU 266 N 0.95 0.37 -0.27 4.15 4.81 -1.83 -2.01 114.58 120.74 3m1r h GLU 266 Ca 0.24 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.42 3m1r h GLU 266 Cb 0.02 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3m1r h GLU 266 CO -0.04 0.25 0.06 1.25 -0.73 0.00 0.00 179.01 179.80 3m1r h LEU 267 N 0.38 0.42 -0.81 1.64 5.85 -0.71 -2.63 115.31 119.45 3m1r h LEU 267 Ca 0.17 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.68 3m1r h LEU 267 Cb 0.08 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 3m1r h LEU 267 CO -0.12 0.55 0.52 -0.07 -0.34 0.00 0.00 178.44 178.98 3m1r h LEU 268 N 0.27 0.87 -0.66 2.25 3.38 -0.37 -0.21 115.31 120.84 3m1r h LEU 268 Ca 0.08 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 3m1r h LEU 268 Cb 0.30 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3m1r h LEU 268 CO 0.00 0.60 0.14 -0.08 0.09 0.00 0.00 178.44 179.19 3m1r h GLU 269 N 1.02 1.07 -0.14 1.13 4.57 -1.31 -1.22 114.58 119.70 3m1r h GLU 269 Ca 0.32 -0.27 -0.03 0.00 -1.18 0.00 0.00 59.36 58.21 3m1r h GLU 269 Cb 0.00 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.45 3m1r h GLU 269 CO -0.11 0.97 -0.02 0.00 -1.18 0.00 0.00 179.01 178.67 3m1r h ALA 270 N 1.06 0.19 -0.64 2.92 0.00 -0.94 -1.31 119.26 120.53 3m1r h ALA 270 Ca 0.20 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.99 3m1r h ALA 270 Cb 0.39 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 3m1r h ALA 270 CO 0.01 -0.09 0.29 0.28 0.00 0.00 0.00 179.25 179.74 3m1r h VAL 271 N -0.03 0.84 -0.44 0.00 2.07 -0.98 -1.13 116.25 116.57 3m1r h VAL 271 Ca 0.04 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3m1r h VAL 271 Cb 0.41 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 3m1r h VAL 271 CO 0.01 0.09 0.22 0.50 0.02 0.00 0.00 177.57 178.42 3m1r h LYS 272 N 0.52 0.62 0.22 1.57 3.64 -0.95 -0.31 116.57 121.87 3m1r h LYS 272 Ca 0.31 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3m1r h LYS 272 Cb 0.33 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 3m1r h LYS 272 CO -0.26 0.52 -0.48 -0.92 -2.27 0.00 0.00 179.45 176.03 3m1r h TYR 273 N 0.57 -1.38 -0.96 1.91 3.20 -0.96 -2.89 116.97 116.46 3m1r h TYR 273 Ca 0.15 0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.12 3m1r h TYR 273 Cb 0.09 0.57 -0.07 0.00 1.54 0.00 0.00 36.73 38.87 3m1r h TYR 273 CO -0.01 -0.57 0.62 0.82 -1.64 0.00 0.00 178.16 177.38 3m1r h ILE 274 N -0.76 1.05 0.00 1.81 2.04 -1.11 -2.08 117.51 118.46 3m1r h ILE 274 Ca -0.02 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 3m1r h ILE 274 Cb 0.73 -0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 3m1r h ILE 274 CO -0.20 0.20 -0.00 0.00 0.00 0.00 0.00 178.15 178.14 3m1r h ALA 275 N 1.49 1.04 0.00 1.87 0.00 -0.85 -1.06 119.26 121.75 3m1r h ALA 275 Ca 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3m1r h ALA 275 Cb 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3m1r h ALA 275 CO -0.17 0.00 -0.31 1.96 0.00 0.00 0.00 179.25 180.73 3m1r h GLN 276 N 0.00 0.00 -7.35 0.00 4.20 -1.22 -3.46 115.11 107.29 3m1r h GLN 276 Ca -0.00 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.21 3m1r h GLN 276 Cb 0.07 0.00 0.13 0.00 0.30 0.00 0.00 27.48 27.97 3m1r h GLN 276 CO 0.00 0.00 0.30 -0.65 -0.67 0.00 0.00 178.83 177.81 3m1r s GLN 277 N -3.15 1.94 0.31 1.46 1.11 -0.40 -4.54 119.66 116.39 3m1r s GLN 277 Ca 0.08 0.89 -0.28 0.00 0.01 0.00 0.00 55.36 56.06 3m1r s GLN 277 Cb 0.12 -1.88 -0.09 0.00 -1.01 0.00 0.00 33.01 30.14 3m1r s GLN 277 CO 0.67 -1.79 1.10 -2.14 0.01 0.00 0.00 175.29 173.14 3m1r s PRO 278 N -4.99 4.50 -1.09 2.91 0.02 -1.26 -4.01 135.00 131.08 3m1r s PRO 278 Ca 0.61 1.76 -0.04 0.00 0.02 0.00 0.00 61.00 63.36 3m1r s PRO 278 Cb -0.16 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.33 3m1r s PRO 278 CO 0.56 0.10 0.52 0.09 -0.33 0.00 0.00 177.00 177.94 3m1r n ASN 279 N 0.87 -4.92 -4.62 2.53 5.03 -1.26 -4.65 115.26 108.23 3m1r n ASN 279 Ca 0.00 -0.24 -0.43 0.00 0.87 0.00 0.00 54.58 54.78 3m1r n ASN 279 Cb 0.46 -3.73 -0.03 0.00 -1.02 0.00 0.00 39.78 35.46 3m1r n ASN 279 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3m1r s VAL 280 N -3.04 3.43 -0.40 2.41 1.01 -1.26 -1.48 120.40 121.08 3m1r s VAL 280 Ca 0.26 0.48 0.23 0.00 0.00 0.00 0.00 61.98 62.95 3m1r s VAL 280 Cb -0.11 -3.47 0.05 0.00 0.00 0.00 0.00 36.38 32.84 3m1r s VAL 280 CO 0.32 -0.23 1.19 0.00 0.00 0.00 0.00 175.10 176.38 3m1r h ALA 281 N 11.97 0.57 0.00 5.51 0.00 -0.59 -3.47 119.26 133.25 3m1r h ALA 281 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3m1r h ALA 281 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3m1r h ALA 281 CO 0.99 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.65 3m1r n GLY 282 N 1.23 1.11 3.01 0.00 0.00 -1.25 -3.73 105.19 105.56 3m1r n GLY 282 Ca 0.01 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 3m1r n GLY 282 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3m1r s ILE 283 N -2.00 0.02 0.07 -0.61 2.07 -0.49 -1.45 121.20 118.81 3m1r s ILE 283 Ca 0.00 -0.16 0.06 0.00 -1.41 0.00 0.00 60.65 59.14 3m1r s ILE 283 Cb 0.00 -0.21 -0.03 0.00 0.13 0.00 0.00 42.46 42.35 3m1r s ILE 283 CO 0.00 -0.09 -0.16 -1.83 -1.91 0.00 0.00 174.94 170.96 3m1r s GLU 284 N -0.24 0.94 -0.13 3.50 -1.05 -0.34 -0.09 118.70 121.30 3m1r s GLU 284 Ca -0.03 -0.94 0.03 0.00 -0.15 0.00 0.00 54.97 53.87 3m1r s GLU 284 Cb -0.02 -1.01 0.01 0.00 -0.44 0.00 0.00 34.13 32.66 3m1r s GLU 284 CO 0.00 0.24 -0.21 0.42 0.95 0.00 0.00 175.26 176.66 3m1r s ILE 285 N -1.11 1.98 0.27 1.83 1.01 -0.17 -0.61 121.20 124.42 3m1r s ILE 285 Ca 0.01 -0.94 0.06 0.00 0.00 0.00 0.00 60.65 59.79 3m1r s ILE 285 Cb -0.09 -1.75 -0.06 0.00 0.01 0.00 0.00 42.46 40.57 3m1r s ILE 285 CO 0.02 0.54 -0.06 0.68 0.00 0.00 0.00 174.94 176.12 3m1r s VAL 286 N 0.78 1.59 -0.54 2.92 -7.23 0.34 -0.44 120.40 117.83 3m1r s VAL 286 Ca -0.08 -2.12 0.00 0.00 -1.81 0.00 0.00 61.98 57.97 3m1r s VAL 286 Cb -0.16 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 34.35 3m1r s VAL 286 CO -0.01 -0.31 0.00 -0.62 -0.31 0.00 0.00 175.10 173.86 3m1r n GLU 287 N -0.57 -0.39 -2.76 4.82 -0.58 -1.04 -4.45 120.64 115.68 3m1r n GLU 287 Ca -0.05 0.66 -0.42 0.00 -0.42 0.00 0.00 57.16 56.92 3m1r n GLU 287 Cb 0.63 -4.36 -0.03 0.00 -0.57 0.00 0.00 31.44 27.11 3m1r n GLU 287 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3m1r s VAL 288 N -2.17 4.86 -0.38 2.62 1.01 -1.26 -4.11 120.40 120.97 3m1r s VAL 288 Ca 0.00 1.94 0.03 0.00 0.00 0.00 0.00 61.98 63.95 3m1r s VAL 288 Cb 0.00 -4.27 0.11 0.00 0.00 0.00 0.00 36.38 32.22 3m1r s VAL 288 CO 0.00 0.10 0.12 -0.62 0.00 0.00 0.00 175.10 174.70 3m1r s ASP 289 N 1.03 4.41 0.49 3.32 -1.08 0.15 -4.19 116.67 120.80 3m1r s ASP 289 Ca 0.48 -2.25 0.21 0.00 -0.52 0.00 0.00 52.55 50.46 3m1r s ASP 289 Cb -0.19 -1.40 1.25 0.00 -1.46 0.00 0.00 42.92 41.11 3m1r s ASP 289 CO 0.22 -0.35 1.98 -0.65 0.52 0.00 0.00 175.17 176.89 3m1r h PRO 290 N 7.42 0.16 0.00 4.34 0.11 -1.78 -0.53 132.00 141.72 3m1r h PRO 290 Ca -0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3m1r h PRO 290 Cb 0.99 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3m1r h PRO 290 CO 0.54 0.11 0.00 0.25 -0.21 0.00 0.00 178.00 178.68 3m1r n THR 291 N -4.42 0.71 0.77 -1.15 -2.24 -1.26 -2.32 114.28 104.36 3m1r n THR 291 Ca 0.10 0.08 0.09 0.00 -2.27 0.00 0.00 64.05 62.05 3m1r n THR 291 Cb 0.52 -0.92 0.04 0.00 -2.10 0.00 0.00 70.33 67.87 3m1r n THR 291 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3m1r n LEU 292 N -2.03 2.11 -4.88 3.22 4.32 -0.23 -5.04 117.00 114.47 3m1r n LEU 292 Ca 0.04 -0.88 -0.29 0.00 -0.02 0.00 0.00 56.01 54.85 3m1r n LEU 292 Cb 0.28 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.07 3m1r n LEU 292 CO 0.22 0.38 0.51 -0.62 -1.22 0.00 0.00 177.39 176.66 3m1r s ASP 293 N -1.78 6.38 -0.21 -1.43 2.15 -0.98 -4.27 116.67 116.52 3m1r s ASP 293 Ca 0.18 1.14 -0.19 0.00 0.43 0.00 0.00 52.55 54.11 3m1r s ASP 293 Cb 0.15 -2.34 -0.03 0.00 -0.30 0.00 0.00 42.92 40.40 3m1r s ASP 293 CO 0.34 -0.57 0.54 0.12 -0.17 0.00 0.00 175.17 175.43 3m1r s PHE 294 N -2.68 3.35 0.00 -5.34 2.19 -1.26 -4.85 117.98 109.38 3m1r s PHE 294 Ca 0.51 0.78 0.00 0.00 0.33 0.00 0.00 56.93 58.55 3m1r s PHE 294 Cb -0.10 -2.71 0.00 0.00 -1.31 0.00 0.00 43.02 38.90 3m1r s PHE 294 CO 0.41 -0.15 0.00 0.54 1.83 0.00 0.00 175.22 177.84 3m1r n ARG 295 N 4.99 0.00 -3.90 10.12 1.74 -1.26 -4.64 116.66 123.71 3m1r n ARG 295 Ca -0.04 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.75 3m1r n ARG 295 Cb 0.50 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.78 3m1r n ARG 295 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 3m1r s ASP 296 N -4.00 3.40 0.00 0.55 -4.77 -1.26 -5.00 116.67 105.59 3m1r s ASP 296 Ca 0.00 -0.96 0.00 0.00 -3.30 0.00 0.00 52.55 48.29 3m1r s ASP 296 Cb 0.00 -1.02 0.00 0.00 -1.09 0.00 0.00 42.92 40.81 3m1r s ASP 296 CO 0.00 -0.23 0.00 0.41 0.70 0.00 0.00 175.17 176.05 3m1r n THR 298 N 4.79 0.00 0.04 2.11 -1.04 -1.26 -0.55 114.28 118.37 3m1r n THR 298 Ca -0.12 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.83 3m1r n THR 298 Cb 0.46 0.00 0.11 0.00 -1.82 0.00 0.00 70.33 69.08 3m1r n THR 298 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3m1r h SER 299 N 0.00 0.45 -0.30 8.00 0.02 -1.94 -1.48 113.55 118.29 3m1r h SER 299 Ca 0.00 -0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 60.67 3m1r h SER 299 Cb 0.00 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 3m1r h SER 299 CO 0.00 0.88 -0.01 0.03 -1.14 0.00 0.00 176.83 176.60 3m1r h ARG 300 N 0.32 0.54 -0.72 3.45 3.08 -1.15 -0.08 114.38 119.81 3m1r h ARG 300 Ca 0.01 -0.18 0.09 0.00 0.07 0.00 0.00 59.98 59.97 3m1r h ARG 300 Cb 1.02 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.95 3m1r h ARG 300 CO 0.09 0.69 0.37 0.00 -1.07 0.00 0.00 179.97 180.05 3m1r h ALA 301 N 0.83 1.00 -0.41 0.04 0.00 -1.80 -0.30 119.26 118.62 3m1r h ALA 301 Ca 0.08 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3m1r h ALA 301 Cb 0.45 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3m1r h ALA 301 CO 0.02 -0.02 0.14 0.00 0.00 0.00 0.00 179.25 179.39 3m1r h ALA 302 N 1.42 0.53 -0.86 0.00 0.00 -1.05 -1.86 119.26 117.45 3m1r h ALA 302 Ca 0.35 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3m1r h ALA 302 Cb 0.35 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 3m1r h ALA 302 CO -0.26 0.16 0.56 0.00 0.00 0.00 0.00 179.25 179.72 3m1r h ALA 303 N 0.99 1.44 -0.08 0.00 0.00 -0.32 -1.53 119.26 119.77 3m1r h ALA 303 Ca 0.13 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3m1r h ALA 303 Cb 0.23 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3m1r h ALA 303 CO -0.01 0.49 -0.40 0.45 0.00 0.00 0.00 179.25 179.78 3m1r h HIS 304 N 1.10 0.19 -0.93 0.00 3.86 -0.76 -0.70 115.15 117.91 3m1r h HIS 304 Ca 0.33 -0.05 0.03 0.00 -1.16 0.00 0.00 60.37 59.52 3m1r h HIS 304 Cb -0.02 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 28.35 3m1r h HIS 304 CO -0.00 0.54 0.61 0.28 0.86 0.00 0.00 177.93 180.23 3m1r h VAL 305 N 0.14 1.18 -0.02 2.45 2.07 -0.47 -0.31 116.25 121.30 3m1r h VAL 305 Ca 0.01 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 3m1r h VAL 305 Cb 0.77 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3m1r h VAL 305 CO 0.06 0.22 0.00 -0.07 0.02 0.00 0.00 177.57 177.80 3m1r h LEU 306 N 1.20 0.04 -0.72 2.57 4.07 -0.64 -1.26 115.31 120.56 3m1r h LEU 306 Ca 0.36 -0.26 0.09 0.00 0.08 0.00 0.00 57.88 58.15 3m1r h LEU 306 Cb -0.04 -0.01 -0.07 0.00 1.08 0.00 0.00 40.66 41.63 3m1r h LEU 306 CO -0.10 0.29 0.38 -0.07 -1.08 0.00 0.00 178.44 177.86 3m1r h LEU 307 N -0.22 0.51 -0.41 1.67 3.38 -0.94 -0.38 115.31 118.92 3m1r h LEU 307 Ca 0.01 0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 3m1r h LEU 307 Cb 0.27 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3m1r h LEU 307 CO 0.00 0.30 -0.79 0.45 0.09 0.00 0.00 178.44 178.49 3m1r h HIS 308 N 0.65 0.00 -0.23 1.13 3.86 -0.98 -0.34 115.15 119.24 3m1r h HIS 308 Ca 0.35 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.51 3m1r h HIS 308 Cb 0.34 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 3m1r h HIS 308 CO -0.09 0.79 -0.04 0.00 0.86 0.00 0.00 177.93 179.45 3m1r h ALA 309 N 1.21 0.32 -0.70 2.45 0.00 -0.93 -1.34 119.26 120.27 3m1r h ALA 309 Ca -0.01 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.68 3m1r h ALA 309 Cb 1.40 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 3m1r h ALA 309 CO 0.10 0.09 0.43 -0.07 0.00 0.00 0.00 179.25 179.81 3m1r h LEU 310 N 0.18 0.71 -0.38 0.00 4.07 -0.89 -1.97 115.31 117.03 3m1r h LEU 310 Ca 0.06 0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.07 3m1r h LEU 310 Cb 0.49 -0.15 -0.05 0.00 1.08 0.00 0.00 40.66 42.03 3m1r h LEU 310 CO 0.02 0.49 0.10 0.50 -1.08 0.00 0.00 178.44 178.47 3m1r h LYS 311 N 0.85 0.23 -1.09 1.13 3.64 -0.96 0.46 116.57 120.82 3m1r h LYS 311 Ca 0.28 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3m1r h LYS 311 Cb 0.03 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3m1r h LYS 311 CO -0.11 0.15 0.00 0.41 -2.27 0.00 0.00 179.45 177.63 3m1r n GLY 312 N -1.23 0.20 0.67 5.01 0.00 -0.52 -1.50 105.19 107.82 3m1r n GLY 312 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3m1r n GLY 312 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3m1r n LYS 314 N 0.72 0.00 0.11 1.61 4.81 0.15 -1.54 118.16 124.03 3m1r n LYS 314 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.49 3m1r n LYS 314 Cb 0.04 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.11 3m1r n LYS 314 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 3m1r h LEU 315 N 0.00 0.00 -9.87 3.14 5.85 -1.52 -3.47 115.31 109.45 3m1r h LEU 315 Ca 0.00 0.00 -0.51 0.00 0.84 0.00 0.00 57.88 58.21 3m1r h LEU 315 Cb 0.00 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.06 3m1r h LEU 315 CO 0.00 0.33 0.51 -0.94 -0.34 0.00 0.00 178.44 178.00 3m1r s SER 316 N -5.98 6.96 0.36 1.25 1.04 -0.59 -4.92 113.70 111.82 3m1r s SER 316 Ca 0.02 2.35 0.27 0.00 0.48 0.00 0.00 55.95 59.07 3m1r s SER 316 Cb 0.08 -2.62 1.14 0.00 0.10 0.00 0.00 66.02 64.72 3m1r s SER 316 CO 0.76 -0.37 1.81 -0.65 0.98 0.00 0.00 173.24 175.77 3m1r h PRO 317 N 3.35 0.00 -0.02 4.02 0.11 -1.92 -3.52 132.00 134.02 3m1r h PRO 317 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3m1r h PRO 317 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3m1r h PRO 317 CO 0.65 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.63