#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wmr s GLU 17 N 0.00 4.45 0.31 2.89 2.02 -1.26 -4.93 118.70 122.19 1wmr s GLU 17 Ca 0.00 1.99 -0.27 0.00 0.02 0.00 0.00 54.97 56.70 1wmr s GLU 17 Cb 0.00 -3.19 -0.14 0.00 0.10 0.00 0.00 34.13 30.91 1wmr s GLU 17 CO 0.00 -0.12 0.97 1.19 0.02 0.00 0.00 175.26 177.33 1wmr n PHE 18 N 2.06 1.13 -3.97 1.61 0.99 -1.26 -4.99 117.46 113.04 1wmr n PHE 18 Ca 0.03 0.69 -0.09 0.00 -0.00 0.00 0.00 57.45 58.09 1wmr n PHE 18 Cb 0.43 -2.23 -0.10 0.00 -1.00 0.00 0.00 39.48 36.58 1wmr n PHE 18 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.76 178.17 1wmr s MET 19 N -1.59 0.42 0.43 -1.08 1.75 -1.26 -5.14 119.30 112.82 1wmr s MET 19 Ca 0.59 -0.66 -0.23 0.00 -1.25 0.00 0.00 55.69 54.14 1wmr s MET 19 Cb -0.69 0.16 -0.08 0.00 2.84 0.00 0.00 34.83 37.05 1wmr s MET 19 CO 0.60 -0.08 1.09 0.00 -0.65 0.00 0.00 175.02 175.97 1wmr s ALA 20 N -1.89 3.03 -0.21 4.11 0.00 -1.26 -5.03 121.76 120.51 1wmr s ALA 20 Ca -0.12 0.77 0.01 0.00 0.00 0.00 0.00 51.96 52.62 1wmr s ALA 20 Cb -0.06 -3.31 0.05 0.00 0.00 0.00 0.00 23.12 19.80 1wmr s ALA 20 CO -0.02 -0.37 -0.08 0.54 0.00 0.00 0.00 175.76 175.83 1wmr s VAL 21 N -1.65 1.57 0.23 0.00 0.11 -1.26 -5.03 120.40 114.37 1wmr s VAL 21 Ca 0.60 -1.09 0.01 0.00 -2.93 0.00 0.00 61.98 58.57 1wmr s VAL 21 Cb -0.24 -1.74 -0.04 0.00 -1.53 0.00 0.00 36.38 32.84 1wmr s VAL 21 CO 0.29 0.04 0.40 0.42 -3.33 0.00 0.00 175.10 172.92 1wmr s THR 22 N 1.40 5.21 -0.02 5.04 -4.23 -1.26 -1.00 115.64 120.78 1wmr s THR 22 Ca -0.03 -0.56 -0.14 0.00 -1.18 0.00 0.00 61.69 59.78 1wmr s THR 22 Cb -0.17 -3.79 -0.05 0.00 1.34 0.00 0.00 72.50 69.83 1wmr s THR 22 CO -0.07 -0.27 0.37 0.00 -0.54 0.00 0.00 174.62 174.11 1wmr s ALA 23 N -1.96 3.72 -0.41 3.99 0.00 -1.25 -4.91 121.76 120.93 1wmr s ALA 23 Ca 0.37 -0.28 0.09 0.00 0.00 0.00 0.00 51.96 52.14 1wmr s ALA 23 Cb -0.10 -2.33 0.33 0.00 0.00 0.00 0.00 23.12 21.02 1wmr s ALA 23 CO 0.30 0.50 0.88 -1.71 0.00 0.00 0.00 175.76 175.72 1wmr n ASN 24 N 1.87 -0.58 -4.35 0.00 2.85 -1.22 -1.58 115.26 112.26 1wmr n ASN 24 Ca -0.15 -3.28 -0.26 0.00 -0.11 0.00 0.00 54.58 50.78 1wmr n ASN 24 Cb 0.53 0.46 -0.09 0.00 1.24 0.00 0.00 39.78 41.92 1wmr n ASN 24 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1wmr s ASN 25 N -1.89 2.99 0.00 1.20 4.22 -0.52 -5.03 114.94 115.92 1wmr s ASN 25 Ca 0.32 -1.58 0.06 0.00 -2.14 0.00 0.00 52.86 49.52 1wmr s ASN 25 Cb 0.31 0.32 0.32 0.00 1.28 0.00 0.00 41.25 43.48 1wmr s ASN 25 CO -0.08 -0.81 1.02 -1.54 -2.04 0.00 0.00 177.10 173.65 1wmr n SER 26 N -1.13 0.00 -0.00 3.54 3.41 -1.26 -2.85 113.62 115.33 1wmr n SER 26 Ca -0.08 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1wmr n SER 26 Cb 0.66 -0.25 -0.01 0.00 -0.26 0.00 0.00 64.21 64.35 1wmr n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wmr n GLN 27 N -1.25 1.47 -3.78 4.33 6.02 -1.26 -4.62 117.38 118.29 1wmr n GLN 27 Ca 0.03 -0.01 -0.13 0.00 -0.01 0.00 0.00 57.00 56.89 1wmr n GLN 27 Cb 0.05 -1.03 -0.10 0.00 1.02 0.00 0.00 30.24 30.18 1wmr n GLN 27 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1wmr s LEU 28 N -3.45 0.91 -0.13 1.08 2.96 -1.13 -1.65 118.68 117.26 1wmr s LEU 28 Ca -0.00 0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 54.27 1wmr s LEU 28 Cb 0.01 1.06 0.07 0.00 0.50 0.00 0.00 46.19 47.82 1wmr s LEU 28 CO 0.04 -0.21 0.23 -0.22 -1.32 0.00 0.00 176.35 174.87 1wmr s LEU 29 N -0.34 -0.23 0.29 -0.68 2.96 -0.01 -1.43 118.68 119.24 1wmr s LEU 29 Ca -0.05 0.41 0.05 0.00 -0.22 0.00 0.00 54.13 54.32 1wmr s LEU 29 Cb -0.03 0.56 -0.06 0.00 0.50 0.00 0.00 46.19 47.16 1wmr s LEU 29 CO 0.01 -0.25 0.01 0.42 -1.32 0.00 0.00 176.35 175.22 1wmr s THR 30 N 2.38 1.31 0.26 3.68 -4.23 -0.61 -1.52 115.64 116.91 1wmr s THR 30 Ca 0.03 -2.04 -0.01 0.00 -1.18 0.00 0.00 61.69 58.48 1wmr s THR 30 Cb -0.13 -2.59 -0.02 0.00 1.34 0.00 0.00 72.50 71.10 1wmr s THR 30 CO -0.08 -0.16 0.28 -1.66 -0.54 0.00 0.00 174.62 172.46 1wmr s TRP 31 N -3.22 1.15 0.16 3.99 -2.14 -1.26 -3.96 118.94 113.65 1wmr s TRP 31 Ca 0.33 -1.32 -0.07 0.00 2.66 0.00 0.00 56.10 57.69 1wmr s TRP 31 Cb 0.07 -0.39 -0.02 0.00 -3.10 0.00 0.00 33.47 30.03 1wmr s TRP 31 CO 0.13 -0.84 0.23 -0.46 -2.66 0.00 0.00 176.95 173.34 1wmr s TRP 32 N -3.77 0.53 -0.18 1.66 -0.11 -1.26 -1.81 118.94 114.00 1wmr s TRP 32 Ca 0.35 -0.90 -0.02 0.00 1.22 0.00 0.00 56.10 56.76 1wmr s TRP 32 Cb 0.03 -0.17 0.05 0.00 -1.50 0.00 0.00 33.47 31.89 1wmr s TRP 32 CO 0.17 -0.67 0.00 -1.01 -4.62 0.00 0.00 176.95 170.81 1wmr s HIS 33 N -3.99 1.31 0.02 5.86 3.76 -1.26 -4.96 115.29 116.03 1wmr s HIS 33 Ca 0.20 -0.96 0.32 0.00 -0.15 0.00 0.00 55.06 54.47 1wmr s HIS 33 Cb 0.04 -1.14 1.42 0.00 1.11 0.00 0.00 32.58 34.01 1wmr s HIS 33 CO 0.01 -0.61 1.95 -0.91 -0.85 0.00 0.00 174.74 174.33 1wmr h ASN 34 N 8.19 0.00 -0.80 1.40 2.35 -2.00 -1.68 115.58 123.03 1wmr h ASN 34 Ca -0.18 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.24 1wmr h ASN 34 Cb 1.11 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 39.29 1wmr h ASN 34 CO 0.35 0.00 0.42 0.35 -1.65 0.00 0.00 177.43 176.90 1wmr n THR 35 N -2.81 2.90 -2.05 2.81 -2.24 -1.26 -4.96 114.28 106.67 1wmr n THR 35 Ca 0.00 -1.63 -0.42 0.00 -2.27 0.00 0.00 64.05 59.74 1wmr n THR 35 Cb 0.23 -0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 68.00 1wmr n THR 35 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1wmr s GLY 36 N -1.00 2.12 -0.09 3.38 0.00 -0.63 -1.84 107.32 109.26 1wmr s GLY 36 Ca 0.52 1.27 0.03 0.00 0.00 0.00 0.00 44.72 46.54 1wmr s GLY 36 CO 0.12 2.33 -0.17 1.85 0.00 0.00 0.00 173.10 177.23 1wmr s GLU 37 N 0.22 2.30 -0.34 2.90 2.12 0.12 -4.84 118.70 121.19 1wmr s GLU 37 Ca 0.62 -0.61 -0.23 0.00 0.36 0.00 0.00 54.97 55.11 1wmr s GLU 37 Cb -0.41 -1.86 0.01 0.00 0.26 0.00 0.00 34.13 32.13 1wmr s GLU 37 CO 0.38 0.03 0.77 0.42 -0.54 0.00 0.00 175.26 176.32 1wmr s ILE 38 N 0.70 4.77 -0.26 -3.70 1.01 -1.26 -0.17 121.20 122.29 1wmr s ILE 38 Ca -0.13 0.97 -0.11 0.00 0.00 0.00 0.00 60.65 61.38 1wmr s ILE 38 Cb -0.16 -4.17 0.10 0.00 0.01 0.00 0.00 42.46 38.23 1wmr s ILE 38 CO 0.03 -0.35 0.59 0.21 0.00 0.00 0.00 174.94 175.42 1wmr s ASN 39 N 1.76 -0.84 -0.06 3.58 3.04 -1.26 -4.99 114.94 116.16 1wmr s ASN 39 Ca 0.31 1.36 0.10 0.00 0.04 0.00 0.00 52.86 54.67 1wmr s ASN 39 Cb -0.14 1.62 0.19 0.00 -1.54 0.00 0.00 41.25 41.38 1wmr s ASN 39 CO 0.15 -0.22 1.12 0.35 -3.04 0.00 0.00 177.10 175.46 1wmr n THR 40 N 4.89 1.44 0.00 -5.21 -2.24 -1.26 -4.80 114.28 107.10 1wmr n THR 40 Ca -0.16 -1.54 0.00 0.00 -2.27 0.00 0.00 64.05 60.09 1wmr n THR 40 Cb 0.53 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 1wmr n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wmr n GLN 41 N -0.73 0.54 -4.52 -0.78 6.02 -1.26 -4.97 117.38 111.68 1wmr n GLN 41 Ca 0.09 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.84 1wmr n GLN 41 Cb 0.47 -0.57 -0.10 0.00 1.02 0.00 0.00 30.24 31.06 1wmr n GLN 41 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1wmr s THR 42 N -1.14 1.12 0.16 5.09 -4.23 -1.26 -4.32 115.64 111.07 1wmr s THR 42 Ca 0.00 -2.00 -0.31 0.00 -1.18 0.00 0.00 61.69 58.20 1wmr s THR 42 Cb 0.00 -2.64 -0.09 0.00 1.34 0.00 0.00 72.50 71.12 1wmr s THR 42 CO 0.00 0.00 1.38 -2.84 -0.54 0.00 0.00 174.62 172.62 1wmr s PRO 43 N -3.83 4.33 0.77 3.99 0.02 -1.24 -4.38 135.00 134.67 1wmr s PRO 43 Ca 0.30 2.11 -0.11 0.00 0.02 0.00 0.00 61.00 63.33 1wmr s PRO 43 Cb 0.07 -3.21 0.06 0.00 0.02 0.00 0.00 34.50 31.44 1wmr s PRO 43 CO 0.14 -0.38 1.09 0.14 -0.33 0.00 0.00 177.00 177.65 1wmr s VAL 44 N 0.63 3.38 0.87 3.83 -7.23 -1.26 -4.98 120.40 115.64 1wmr s VAL 44 Ca 0.62 0.45 -0.12 0.00 -1.81 0.00 0.00 61.98 61.11 1wmr s VAL 44 Cb -0.38 -2.99 0.10 0.00 0.56 0.00 0.00 36.38 33.67 1wmr s VAL 44 CO 0.35 -0.59 1.03 0.00 -0.31 0.00 0.00 175.10 175.58 1wmr n ALA 45 N -3.49 -0.79 0.07 1.32 0.00 -1.26 -4.87 120.51 111.49 1wmr n ALA 45 Ca 0.08 -0.46 -0.15 0.00 0.00 0.00 0.00 53.44 52.92 1wmr n ALA 45 Cb 0.53 -2.14 -0.08 0.00 0.00 0.00 0.00 19.45 17.75 1wmr n ALA 45 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1wmr h ASP 46 N -1.38 -1.49 0.00 0.00 3.45 -2.01 -1.35 116.42 113.64 1wmr h ASP 46 Ca -0.44 0.17 0.00 0.00 0.43 0.00 0.00 57.03 57.19 1wmr h ASP 46 Cb 1.29 0.57 0.00 0.00 -0.56 0.00 0.00 39.33 40.63 1wmr h ASP 46 CO 0.42 -0.50 0.00 0.61 -1.57 0.00 0.00 179.24 178.20 1wmr n GLY 47 N -1.46 0.11 3.83 2.75 0.00 -1.26 -4.85 105.19 104.30 1wmr n GLY 47 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 1wmr n GLY 47 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wmr s ASN 48 N -0.58 5.27 -0.11 1.61 -0.87 -0.51 -4.74 114.94 115.02 1wmr s ASN 48 Ca 0.00 -0.47 -0.00 0.00 -1.57 0.00 0.00 52.86 50.82 1wmr s ASN 48 Cb 0.00 -1.04 0.02 0.00 -0.02 0.00 0.00 41.25 40.22 1wmr s ASN 48 CO 0.00 -0.28 -0.07 -0.69 -2.57 0.00 0.00 177.10 173.48 1wmr s VAL 49 N -2.28 0.99 0.07 1.60 1.01 -0.77 -4.77 120.40 116.25 1wmr s VAL 49 Ca 0.39 -0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 1wmr s VAL 49 Cb -0.06 -1.00 -0.09 0.00 0.00 0.00 0.00 36.38 35.22 1wmr s VAL 49 CO 0.26 0.36 1.93 -0.60 0.00 0.00 0.00 175.10 177.05 1wmr s ARG 50 N 1.62 4.14 -0.04 2.72 3.52 -1.26 0.16 118.95 129.81 1wmr s ARG 50 Ca 0.03 2.62 0.06 0.00 -0.13 0.00 0.00 55.73 58.31 1wmr s ARG 50 Cb -0.13 -3.98 -0.02 0.00 -1.56 0.00 0.00 34.95 29.26 1wmr s ARG 50 CO -0.07 -0.92 -0.21 -1.14 -0.81 0.00 0.00 175.30 172.15 1wmr s GLN 51 N 3.91 2.38 0.15 5.12 0.74 0.76 -1.85 119.66 130.87 1wmr s GLN 51 Ca 0.86 -0.83 -0.31 0.00 0.05 0.00 0.00 55.36 55.13 1wmr s GLN 51 Cb -0.44 -2.21 -0.10 0.00 1.10 0.00 0.00 33.01 31.36 1wmr s GLN 51 CO 0.40 0.54 1.60 0.45 -0.55 0.00 0.00 175.29 177.73 1wmr s SER 52 N -0.54 6.57 0.00 6.67 0.15 -0.53 -4.25 113.70 121.77 1wmr s SER 52 Ca 0.08 2.62 0.23 0.00 0.70 0.00 0.00 55.95 59.57 1wmr s SER 52 Cb -0.11 -2.59 0.47 0.00 -1.71 0.00 0.00 66.02 62.08 1wmr s SER 52 CO 0.01 -0.85 1.43 0.61 1.20 0.00 0.00 173.24 175.64 1wmr n GLY 53 N 3.82 1.69 0.06 9.45 0.00 -1.26 -4.36 105.19 114.59 1wmr n GLY 53 Ca 0.14 -0.72 -0.07 0.00 0.00 0.00 0.00 46.02 45.37 1wmr n GLY 53 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wmr n LEU 54 N 1.42 1.01 -4.27 0.99 7.94 -1.26 -4.73 117.00 118.10 1wmr n LEU 54 Ca 0.20 -0.02 -0.32 0.00 -1.11 0.00 0.00 56.01 54.75 1wmr n LEU 54 Cb 0.59 0.01 -0.16 0.00 0.53 0.00 0.00 43.42 44.39 1wmr n LEU 54 CO 0.16 0.42 -0.53 -0.31 -1.11 0.00 0.00 177.39 176.02 1wmr s TYR 55 N -2.26 2.60 -0.08 1.96 2.02 -1.26 -3.14 117.35 117.19 1wmr s TYR 55 Ca -0.10 -0.88 0.04 0.00 -0.37 0.00 0.00 57.07 55.76 1wmr s TYR 55 Cb 0.04 -1.72 -0.02 0.00 -0.40 0.00 0.00 41.96 39.86 1wmr s TYR 55 CO 0.40 -0.32 -0.18 -1.12 -1.57 0.00 0.00 175.55 172.75 1wmr s SER 56 N 0.23 3.62 -0.03 2.29 0.01 -0.03 -4.77 113.70 115.03 1wmr s SER 56 Ca -0.14 -0.36 0.04 0.00 1.31 0.00 0.00 55.95 56.80 1wmr s SER 56 Cb -0.17 -1.06 -0.00 0.00 0.21 0.00 0.00 66.02 65.00 1wmr s SER 56 CO 0.07 0.25 -0.14 -0.69 0.41 0.00 0.00 173.24 173.14 1wmr s VAL 57 N -0.19 1.17 0.01 3.43 1.01 -1.26 -1.23 120.40 123.34 1wmr s VAL 57 Ca -0.01 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1wmr s VAL 57 Cb -0.13 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 1wmr s VAL 57 CO 0.03 0.34 -0.08 -0.54 0.00 0.00 0.00 175.10 174.86 1wmr s LYS 58 N 0.02 0.60 -0.04 2.72 1.02 -0.63 -0.16 119.74 123.27 1wmr s LYS 58 Ca -0.02 -0.41 0.07 0.00 0.02 0.00 0.00 55.97 55.63 1wmr s LYS 58 Cb -0.09 -0.54 -0.01 0.00 -0.52 0.00 0.00 37.83 36.66 1wmr s LYS 58 CO 0.01 0.14 -0.24 0.08 -0.92 0.00 0.00 175.35 174.42 1wmr s VAL 59 N -0.48 1.96 -0.11 3.17 1.01 0.14 -0.24 120.40 125.84 1wmr s VAL 59 Ca 0.00 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 60.94 1wmr s VAL 59 Cb -0.05 -1.64 0.03 0.00 0.00 0.00 0.00 36.38 34.72 1wmr s VAL 59 CO 0.00 0.55 -0.05 -1.58 0.00 0.00 0.00 175.10 174.02 1wmr s GLN 60 N -0.36 1.21 0.18 2.72 0.74 0.41 -1.38 119.66 123.17 1wmr s GLN 60 Ca 0.03 -0.19 -0.32 0.00 0.05 0.00 0.00 55.36 54.94 1wmr s GLN 60 Cb -0.11 -1.49 -0.10 0.00 1.10 0.00 0.00 33.01 32.41 1wmr s GLN 60 CO 0.01 -0.31 1.58 0.99 -0.55 0.00 0.00 175.29 177.01 1wmr s THR 61 N 1.78 2.54 0.81 -0.34 2.01 -1.26 0.43 115.64 121.61 1wmr s THR 61 Ca 0.04 0.39 -0.11 0.00 0.31 0.00 0.00 61.69 62.32 1wmr s THR 61 Cb -0.13 -3.25 0.08 0.00 0.01 0.00 0.00 72.50 69.21 1wmr s THR 61 CO -0.07 0.03 1.09 0.42 -0.69 0.00 0.00 174.62 175.40 1wmr s THR 62 N 1.09 3.12 0.48 -0.82 -4.23 0.03 -4.53 115.64 110.77 1wmr s THR 62 Ca 0.70 0.36 -0.23 0.00 -1.18 0.00 0.00 61.69 61.34 1wmr s THR 62 Cb -0.44 -2.92 -0.07 0.00 1.34 0.00 0.00 72.50 70.41 1wmr s THR 62 CO 0.32 -0.48 1.27 -2.16 -0.54 0.00 0.00 174.62 173.04 1wmr s PRO 63 N -4.97 3.57 -0.08 3.99 0.04 -1.26 -4.92 135.00 131.37 1wmr s PRO 63 Ca 0.62 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 63.41 1wmr s PRO 63 Cb -0.17 -2.44 -0.05 0.00 0.04 0.00 0.00 34.50 31.89 1wmr s PRO 63 CO 0.56 -0.78 1.65 0.00 0.04 0.00 0.00 177.00 178.46 1wmr s ALA 64 N -1.38 3.55 0.30 8.56 0.00 -1.26 -4.98 121.76 126.55 1wmr s ALA 64 Ca 0.65 0.85 0.04 0.00 0.00 0.00 0.00 51.96 53.50 1wmr s ALA 64 Cb -0.35 -3.76 -0.04 0.00 0.00 0.00 0.00 23.12 18.97 1wmr s ALA 64 CO 0.43 -1.49 0.18 -1.54 0.00 0.00 0.00 175.76 173.34 1wmr s SER 65 N 3.52 1.42 0.00 0.00 1.04 -1.26 -4.98 113.70 113.44 1wmr s SER 65 Ca 0.73 -1.58 0.03 0.00 0.48 0.00 0.00 55.95 55.61 1wmr s SER 65 Cb -0.32 0.43 0.19 0.00 0.10 0.00 0.00 66.02 66.42 1wmr s SER 65 CO 0.29 -0.92 0.68 -1.54 0.98 0.00 0.00 173.24 172.73 1wmr n SER 66 N -0.99 0.00 -3.58 7.02 3.41 -1.26 -4.73 113.62 113.48 1wmr n SER 66 Ca 0.02 -0.92 0.00 0.00 -0.26 0.00 0.00 58.87 57.72 1wmr n SER 66 Cb 0.64 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 1wmr n SER 66 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wmr n SER 67 N -0.60 -0.43 -4.84 4.04 2.88 -1.26 -4.96 113.62 108.44 1wmr n SER 67 Ca 0.02 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.19 1wmr n SER 67 Cb 0.01 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.41 1wmr n SER 67 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1wmr s LEU 68 N 0.00 4.45 -0.13 2.46 2.96 -1.26 -5.08 118.68 122.08 1wmr s LEU 68 Ca 0.00 0.98 -0.03 0.00 -0.22 0.00 0.00 54.13 54.86 1wmr s LEU 68 Cb 0.00 -2.75 -0.03 0.00 0.50 0.00 0.00 46.19 43.91 1wmr s LEU 68 CO 0.00 0.28 -0.03 -0.31 -1.32 0.00 0.00 176.35 174.97 1wmr s TYR 69 N -1.17 3.06 -0.10 5.38 1.51 -1.26 -4.77 117.35 120.00 1wmr s TYR 69 Ca 0.27 -0.13 -0.05 0.00 -1.01 0.00 0.00 57.07 56.15 1wmr s TYR 69 Cb -0.16 -1.90 -0.04 0.00 -0.11 0.00 0.00 41.96 39.75 1wmr s TYR 69 CO 0.15 0.13 0.09 0.71 -1.11 0.00 0.00 175.55 175.53 1wmr s TYR 70 N -0.04 3.44 0.43 2.71 1.51 -0.48 -4.84 117.35 120.08 1wmr s TYR 70 Ca 0.02 0.40 -0.24 0.00 -1.01 0.00 0.00 57.07 56.23 1wmr s TYR 70 Cb -0.13 -1.87 -0.08 0.00 -0.11 0.00 0.00 41.96 39.77 1wmr s TYR 70 CO 0.02 0.64 1.20 -0.51 -1.11 0.00 0.00 175.55 175.79 1wmr s ASP 71 N -1.07 6.32 -0.16 2.29 1.01 -0.17 0.25 116.67 125.14 1wmr s ASP 71 Ca 0.15 2.41 -0.02 0.00 0.71 0.00 0.00 52.55 55.80 1wmr s ASP 71 Cb -0.12 -2.62 0.05 0.00 1.01 0.00 0.00 42.92 41.24 1wmr s ASP 71 CO 0.05 -0.82 -0.00 -0.55 0.21 0.00 0.00 175.17 174.06 1wmr s SER 72 N -1.13 2.58 0.03 0.27 0.15 0.77 -4.22 113.70 112.15 1wmr s SER 72 Ca 0.60 -0.60 -0.35 0.00 0.70 0.00 0.00 55.95 56.30 1wmr s SER 72 Cb -0.32 -0.67 -0.14 0.00 -1.71 0.00 0.00 66.02 63.18 1wmr s SER 72 CO 0.40 -0.24 1.65 0.33 1.20 0.00 0.00 173.24 176.58 1wmr n PHE 73 N 5.01 2.15 -3.46 3.44 7.35 -0.75 -4.15 117.46 127.04 1wmr n PHE 73 Ca -0.10 0.27 -0.43 0.00 -0.76 0.00 0.00 57.45 56.43 1wmr n PHE 73 Cb 0.48 -2.54 -0.09 0.00 0.35 0.00 0.00 39.48 37.68 1wmr n PHE 73 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1wmr s VAL 74 N 2.07 5.12 0.70 -2.13 1.01 -1.26 -4.43 120.40 121.47 1wmr s VAL 74 Ca 0.86 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 1wmr s VAL 74 Cb -0.76 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 31.71 1wmr s VAL 74 CO 0.46 -0.38 1.06 -0.31 0.00 0.00 0.00 175.10 175.93 1wmr s TYR 75 N 1.64 3.17 -0.04 5.22 2.02 0.23 -1.46 117.35 128.14 1wmr s TYR 75 Ca 0.04 1.33 -0.01 0.00 -0.37 0.00 0.00 57.07 58.06 1wmr s TYR 75 Cb -0.21 -2.90 0.03 0.00 -0.40 0.00 0.00 41.96 38.48 1wmr s TYR 75 CO 0.08 -1.22 0.08 -1.17 -1.57 0.00 0.00 175.55 171.75 1wmr s LEU 76 N -5.51 1.04 -0.02 -1.29 2.96 -0.77 -1.24 118.68 113.85 1wmr s LEU 76 Ca 0.58 0.15 0.07 0.00 -0.22 0.00 0.00 54.13 54.71 1wmr s LEU 76 Cb -0.13 0.13 -0.02 0.00 0.50 0.00 0.00 46.19 46.67 1wmr s LEU 76 CO 0.55 -0.12 -0.23 0.00 -1.32 0.00 0.00 176.35 175.22 1wmr s ALA 77 N 0.96 1.93 0.11 5.97 0.00 -0.27 -4.68 121.76 125.78 1wmr s ALA 77 Ca -0.08 -0.99 0.05 0.00 0.00 0.00 0.00 51.96 50.94 1wmr s ALA 77 Cb -0.11 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 1wmr s ALA 77 CO -0.04 0.46 -0.12 0.96 0.00 0.00 0.00 175.76 177.03 1wmr s ILE 78 N -0.51 1.13 0.29 0.00 -0.00 -1.26 -1.47 121.20 119.39 1wmr s ILE 78 Ca 0.08 -1.72 -0.29 0.00 -0.00 0.00 0.00 60.65 58.71 1wmr s ILE 78 Cb -0.09 -1.49 -0.10 0.00 -0.00 0.00 0.00 42.46 40.77 1wmr s ILE 78 CO -0.01 -0.52 1.45 -2.16 -0.00 0.00 0.00 174.94 173.70 1wmr s PRO 79 N -2.86 4.23 0.00 0.37 0.04 -1.26 -2.11 135.00 133.41 1wmr s PRO 79 Ca 0.08 2.38 0.00 0.00 0.04 0.00 0.00 61.00 63.50 1wmr s PRO 79 Cb -0.03 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.45 1wmr s PRO 79 CO 0.01 -0.43 0.00 0.41 0.04 0.00 0.00 177.00 177.04 1wmr n GLY 80 N 1.62 3.15 2.71 0.56 0.00 -1.26 -4.19 105.19 107.79 1wmr n GLY 80 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 1wmr n GLY 80 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wmr n ASN 81 N 0.02 -5.39 0.00 1.61 3.02 -0.90 -1.06 115.26 112.57 1wmr n ASN 81 Ca 0.00 -0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 1wmr n ASN 81 Cb 0.00 -4.28 0.00 0.00 -0.61 0.00 0.00 39.78 34.89 1wmr n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wmr n GLY 82 N -1.32 1.22 3.33 7.41 0.00 -1.26 -3.88 105.19 110.68 1wmr n GLY 82 Ca -0.12 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.43 1wmr n GLY 82 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wmr s MET 83 N -0.34 3.53 0.56 1.61 -1.94 -0.22 -3.66 119.30 118.84 1wmr s MET 83 Ca 0.00 -2.35 0.24 0.00 -1.71 0.00 0.00 55.69 51.87 1wmr s MET 83 Cb 0.00 -4.42 1.58 0.00 2.01 0.00 0.00 34.83 34.00 1wmr s MET 83 CO 0.00 -1.31 2.20 0.66 -0.01 0.00 0.00 175.02 176.56 1wmr h SER 84 N 7.94 0.00 -0.04 3.03 4.64 -1.83 -0.38 113.55 126.91 1wmr h SER 84 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1wmr h SER 84 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1wmr h SER 84 CO 0.80 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.86 1wmr n ASP 85 N -4.14 0.93 0.00 4.97 3.85 -1.26 -2.53 116.55 118.37 1wmr n ASP 85 Ca -0.02 -2.04 0.00 0.00 -0.71 0.00 0.00 54.79 52.02 1wmr n ASP 85 Cb 0.12 -0.35 0.00 0.00 -1.35 0.00 0.00 41.12 39.53 1wmr n ASP 85 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 177.20 177.86 1wmr n GLN 86 N -0.10 3.11 -0.11 0.11 -0.06 -0.15 -4.71 117.38 115.47 1wmr n GLN 86 Ca 0.02 0.00 0.17 0.00 -2.00 0.00 0.00 57.00 55.18 1wmr n GLN 86 Cb 0.22 -0.76 0.56 0.00 -4.06 0.00 0.00 30.24 26.20 1wmr n GLN 86 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 1wmr h LEU 87 N 0.00 0.27 -0.96 1.69 3.38 -1.52 -0.81 115.31 117.35 1wmr h LEU 87 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1wmr h LEU 87 Cb 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1wmr h LEU 87 CO 0.00 0.14 0.17 0.00 0.09 0.00 0.00 178.44 178.84 1wmr n GLN 88 N -4.44 0.10 -0.51 1.13 10.64 -1.26 -0.25 117.38 122.78 1wmr n GLN 88 Ca 0.13 0.57 0.10 0.00 -1.83 0.00 0.00 57.00 55.96 1wmr n GLN 88 Cb 0.55 -1.99 0.33 0.00 -0.86 0.00 0.00 30.24 28.27 1wmr n GLN 88 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1wmr n TYR 89 N -2.03 1.24 -4.39 2.61 4.02 -0.31 -4.94 117.16 113.36 1wmr n TYR 89 Ca -0.01 -0.59 -0.29 0.00 -0.01 0.00 0.00 57.90 57.00 1wmr n TYR 89 Cb 0.19 -0.17 -0.06 0.00 -0.02 0.00 0.00 39.34 39.29 1wmr n TYR 89 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1wmr s THR 90 N -1.61 1.52 -2.00 -0.72 -4.23 0.65 -2.04 115.64 107.21 1wmr s THR 90 Ca 0.48 -1.80 0.29 0.00 -1.18 0.00 0.00 61.69 59.48 1wmr s THR 90 Cb 0.29 -2.31 0.84 0.00 1.34 0.00 0.00 72.50 72.65 1wmr s THR 90 CO 0.25 0.00 2.09 0.00 -0.54 0.00 0.00 174.62 176.42 1wmr n GLN 91 N -1.40 0.92 -1.00 3.99 1.13 -1.26 -4.89 117.38 114.86 1wmr n GLN 91 Ca -0.10 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 54.96 1wmr n GLN 91 Cb 0.66 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 29.51 1wmr n GLN 91 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1wmr n GLY 92 N 0.84 0.43 3.92 1.08 0.00 -1.26 -5.05 105.19 105.15 1wmr n GLY 92 Ca 0.22 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.33 1wmr n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wmr s TYR 93 N -2.00 3.46 -0.30 1.61 4.12 -1.26 -4.99 117.35 117.99 1wmr s TYR 93 Ca 0.00 0.63 0.11 0.00 0.02 0.00 0.00 57.07 57.83 1wmr s TYR 93 Cb 0.00 -2.30 0.74 0.00 -1.52 0.00 0.00 41.96 38.88 1wmr s TYR 93 CO 0.00 -0.31 1.77 0.27 0.02 0.00 0.00 175.55 177.30 1wmr n ASN 94 N -2.21 4.83 -4.79 2.29 0.23 -1.26 -4.93 115.26 109.42 1wmr n ASN 94 Ca 0.00 -3.20 -0.36 0.00 -0.53 0.00 0.00 54.58 50.49 1wmr n ASN 94 Cb 0.56 -0.72 -0.06 0.00 -2.08 0.00 0.00 39.78 37.48 1wmr n ASN 94 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1wmr s GLN 95 N -2.97 4.41 0.22 -3.83 -0.21 -1.26 -4.88 119.66 111.13 1wmr s GLN 95 Ca 0.54 1.36 0.08 0.00 0.02 0.00 0.00 55.36 57.36 1wmr s GLN 95 Cb 0.43 -2.63 -0.05 0.00 1.00 0.00 0.00 33.01 31.76 1wmr s GLN 95 CO 0.13 0.10 -0.14 0.95 -2.12 0.00 0.00 175.29 174.21 1wmr s THR 96 N -1.71 1.83 -0.21 -0.19 -4.23 -0.05 -4.43 115.64 106.65 1wmr s THR 96 Ca 0.54 -2.23 -0.00 0.00 -1.18 0.00 0.00 61.69 58.82 1wmr s THR 96 Cb -0.18 -2.13 0.05 0.00 1.34 0.00 0.00 72.50 71.58 1wmr s THR 96 CO 0.23 -0.53 -0.05 -1.58 -0.54 0.00 0.00 174.62 172.16 1wmr s GLN 97 N -3.64 1.47 0.05 3.99 0.74 -0.54 -0.60 119.66 121.14 1wmr s GLN 97 Ca 0.24 -0.77 0.01 0.00 0.05 0.00 0.00 55.36 54.89 1wmr s GLN 97 Cb -0.01 -2.35 -0.04 0.00 1.10 0.00 0.00 33.01 31.71 1wmr s GLN 97 CO 0.09 -0.54 0.13 0.00 -0.55 0.00 0.00 175.29 174.41 1wmr s ALA 98 N 1.52 3.75 0.16 1.58 0.00 0.15 -1.11 121.76 127.81 1wmr s ALA 98 Ca -0.03 -0.90 -0.19 0.00 0.00 0.00 0.00 51.96 50.84 1wmr s ALA 98 Cb -0.17 -1.64 0.04 0.00 0.00 0.00 0.00 23.12 21.35 1wmr s ALA 98 CO -0.07 0.76 0.51 1.67 0.00 0.00 0.00 175.76 178.63 1wmr s TRP 99 N -1.38 -0.30 -0.05 0.00 -2.14 -0.37 0.23 118.94 114.93 1wmr s TRP 99 Ca 0.29 0.01 -0.13 0.00 2.66 0.00 0.00 56.10 58.93 1wmr s TRP 99 Cb -0.12 0.41 0.02 0.00 -3.10 0.00 0.00 33.47 30.68 1wmr s TRP 99 CO 0.22 -0.83 0.29 -0.08 -2.66 0.00 0.00 176.95 173.90 1wmr s THR 100 N -3.81 0.04 0.13 0.66 -1.32 -0.73 0.77 115.64 111.38 1wmr s THR 100 Ca 0.04 -0.31 0.07 0.00 -1.21 0.00 0.00 61.69 60.28 1wmr s THR 100 Cb -0.00 -0.53 -0.04 0.00 -1.51 0.00 0.00 72.50 70.42 1wmr s THR 100 CO -0.09 -0.17 -0.17 -0.44 -2.21 0.00 0.00 174.62 171.54 1wmr s SER 101 N -0.76 2.33 0.03 8.08 0.01 -1.26 -1.14 113.70 121.00 1wmr s SER 101 Ca -0.08 -0.80 -0.26 0.00 1.31 0.00 0.00 55.95 56.12 1wmr s SER 101 Cb -0.04 -0.11 0.06 0.00 0.21 0.00 0.00 66.02 66.14 1wmr s SER 101 CO 0.03 -0.07 0.59 0.72 0.41 0.00 0.00 173.24 174.92 1wmr s PHE 102 N -1.89 -0.53 -0.02 2.43 -0.12 -0.82 -4.72 117.98 112.30 1wmr s PHE 102 Ca 0.10 0.69 -0.01 0.00 -0.05 0.00 0.00 56.93 57.66 1wmr s PHE 102 Cb -0.06 0.41 -0.04 0.00 -0.63 0.00 0.00 43.02 42.70 1wmr s PHE 102 CO 0.05 -0.67 0.09 -0.51 -0.05 0.00 0.00 175.22 174.13 1wmr s LEU 103 N -1.83 3.96 0.17 -1.99 1.43 -0.57 -1.16 118.68 118.69 1wmr s LEU 103 Ca -0.06 0.19 -0.17 0.00 -1.03 0.00 0.00 54.13 53.06 1wmr s LEU 103 Cb -0.01 -2.26 0.03 0.00 0.03 0.00 0.00 46.19 43.99 1wmr s LEU 103 CO 0.00 0.29 0.48 -0.72 0.23 0.00 0.00 176.35 176.63 1wmr s TYR 104 N -1.17 -0.16 -0.00 0.29 1.13 -0.54 -0.83 117.35 116.06 1wmr s TYR 104 Ca 0.22 -0.16 0.00 0.00 -1.41 0.00 0.00 57.07 55.72 1wmr s TYR 104 Cb -0.12 0.34 0.01 0.00 -1.10 0.00 0.00 41.96 41.09 1wmr s TYR 104 CO 0.13 -0.83 0.64 -1.13 -2.51 0.00 0.00 175.55 171.85 1wmr n SER 105 N -0.30 0.28 -3.57 -0.18 3.41 -0.66 -3.66 113.62 108.94 1wmr n SER 105 Ca -0.12 -1.31 -0.17 0.00 -0.26 0.00 0.00 58.87 57.01 1wmr n SER 105 Cb 0.63 -0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.48 1wmr n SER 105 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1wmr s HIS 106 N -0.18 -0.55 0.06 7.33 5.65 -1.26 -5.01 115.29 121.34 1wmr s HIS 106 Ca 0.01 0.90 -0.37 0.00 0.25 0.00 0.00 55.06 55.84 1wmr s HIS 106 Cb 0.01 0.35 -0.18 0.00 -1.18 0.00 0.00 32.58 31.57 1wmr s HIS 106 CO 0.00 -0.57 1.19 -0.25 -0.65 0.00 0.00 174.74 174.46 1wmr n ASP 107 N 0.93 0.87 -4.02 9.88 10.43 -1.26 -4.63 116.55 128.74 1wmr n ASP 107 Ca -0.19 1.14 -0.17 0.00 2.57 0.00 0.00 54.79 58.13 1wmr n ASP 107 Cb 0.57 -1.08 -0.14 0.00 1.84 0.00 0.00 41.12 42.32 1wmr n ASP 107 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1wmr s ALA 108 N 0.19 0.67 -0.16 2.24 0.00 -0.50 -0.79 121.76 123.40 1wmr s ALA 108 Ca 0.86 -0.45 -0.18 0.00 0.00 0.00 0.00 51.96 52.18 1wmr s ALA 108 Cb -1.07 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 1wmr s ALA 108 CO 0.52 0.13 0.49 0.99 0.00 0.00 0.00 175.76 177.88 1wmr s THR 109 N -0.46 5.15 -0.30 0.00 2.01 0.17 -0.43 115.64 121.77 1wmr s THR 109 Ca 0.00 0.93 -0.10 0.00 0.31 0.00 0.00 61.69 62.83 1wmr s THR 109 Cb -0.05 -3.82 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 1wmr s THR 109 CO 0.00 0.25 0.17 -0.69 -0.69 0.00 0.00 174.62 173.65 1wmr s VAL 110 N 1.17 4.83 -0.28 3.82 1.01 0.12 -0.44 120.40 130.63 1wmr s VAL 110 Ca 0.24 -0.24 -0.12 0.00 0.00 0.00 0.00 61.98 61.87 1wmr s VAL 110 Cb -0.15 -3.41 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 1wmr s VAL 110 CO 0.10 0.12 0.22 -0.75 0.00 0.00 0.00 175.10 174.79 1wmr s LYS 111 N 1.66 3.94 -0.18 2.72 2.20 0.66 -1.11 119.74 129.63 1wmr s LYS 111 Ca 0.06 -0.27 -0.02 0.00 -0.36 0.00 0.00 55.97 55.37 1wmr s LYS 111 Cb -0.17 -3.66 -0.01 0.00 -1.51 0.00 0.00 37.83 32.48 1wmr s LYS 111 CO 0.08 -0.21 -0.08 0.42 -0.36 0.00 0.00 175.35 175.20 1wmr s ILE 112 N 1.81 3.23 0.19 5.43 1.01 -0.26 -1.61 121.20 131.01 1wmr s ILE 112 Ca 0.08 -0.57 0.10 0.00 0.00 0.00 0.00 60.65 60.27 1wmr s ILE 112 Cb -0.16 -2.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 1wmr s ILE 112 CO 0.11 0.47 -0.21 -0.44 0.00 0.00 0.00 174.94 174.87 1wmr s SER 113 N 0.97 3.11 0.40 3.58 0.01 -0.36 -1.49 113.70 119.92 1wmr s SER 113 Ca -0.01 -0.89 0.03 0.00 1.31 0.00 0.00 55.95 56.39 1wmr s SER 113 Cb -0.15 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.83 1wmr s SER 113 CO -0.00 0.04 0.09 -0.13 0.41 0.00 0.00 173.24 173.64 1wmr s ARG 114 N -2.86 1.90 0.00 12.44 0.52 -1.26 -0.85 118.95 128.85 1wmr s ARG 114 Ca 0.20 -2.15 0.00 0.00 -0.52 0.00 0.00 55.73 53.26 1wmr s ARG 114 Cb -0.06 -0.86 0.00 0.00 0.52 0.00 0.00 34.95 34.55 1wmr s ARG 114 CO 0.09 -0.37 0.00 0.09 0.02 0.00 0.00 175.30 175.13 1wmr n ASN 115 N -1.13 0.00 0.00 0.23 3.02 -1.19 -4.73 115.26 111.46 1wmr n ASN 115 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 1wmr n ASN 115 Cb 0.66 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.83 1wmr n ASN 115 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wmr n GLY 116 N -0.00 0.10 0.57 7.41 0.00 -1.26 -4.91 105.19 107.11 1wmr n GLY 116 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1wmr n GLY 116 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wmr n SER 117 N 0.00 2.51 -4.71 1.61 3.41 -1.26 -4.98 113.62 110.19 1wmr n SER 117 Ca 0.00 -1.76 -0.42 0.00 -0.26 0.00 0.00 58.87 56.43 1wmr n SER 117 Cb 0.00 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 63.79 1wmr n SER 117 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wmr s SER 118 N -0.99 7.36 0.72 4.04 1.04 -1.26 -5.05 113.70 119.57 1wmr s SER 118 Ca 0.19 1.70 -0.11 0.00 0.48 0.00 0.00 55.95 58.21 1wmr s SER 118 Cb 0.11 -2.57 0.03 0.00 0.10 0.00 0.00 66.02 63.69 1wmr s SER 118 CO 0.16 -0.25 1.09 0.00 0.98 0.00 0.00 173.24 175.21 1wmr s ALA 119 N 0.90 2.90 -0.70 5.32 0.00 -1.26 -4.89 121.76 124.03 1wmr s ALA 119 Ca 0.52 -0.48 -0.26 0.00 0.00 0.00 0.00 51.96 51.73 1wmr s ALA 119 Cb -0.22 -2.94 -0.00 0.00 0.00 0.00 0.00 23.12 19.96 1wmr s ALA 119 CO 0.28 -1.23 1.66 1.21 0.00 0.00 0.00 175.76 177.68 1wmr s ASN 120 N -4.41 5.61 -0.02 0.00 2.47 -1.26 -4.97 114.94 112.36 1wmr s ASN 120 Ca 0.59 -0.11 -0.02 0.00 0.42 0.00 0.00 52.86 53.74 1wmr s ASN 120 Cb -0.11 -2.54 -0.04 0.00 -1.45 0.00 0.00 41.25 37.11 1wmr s ASN 120 CO 0.50 -2.19 0.13 -0.55 -3.72 0.00 0.00 177.10 171.26 1wmr s SER 121 N 6.52 6.01 0.47 -4.21 0.15 -1.26 -5.09 113.70 116.29 1wmr s SER 121 Ca 0.56 0.25 -0.23 0.00 0.70 0.00 0.00 55.95 57.23 1wmr s SER 121 Cb -0.10 -1.81 -0.07 0.00 -1.71 0.00 0.00 66.02 62.33 1wmr s SER 121 CO 0.15 0.28 1.22 0.21 1.20 0.00 0.00 173.24 176.31 1wmr s ASN 122 N -1.74 6.01 0.02 5.45 2.47 -1.26 -4.81 114.94 121.07 1wmr s ASN 122 Ca 0.24 2.45 0.07 0.00 0.42 0.00 0.00 52.86 56.04 1wmr s ASN 122 Cb -0.12 -2.61 -0.02 0.00 -1.45 0.00 0.00 41.25 37.04 1wmr s ASN 122 CO 0.15 -1.03 -0.22 0.68 -3.72 0.00 0.00 177.10 172.95 1wmr s VAL 123 N -1.45 1.80 -0.17 -5.21 -7.23 -1.26 -0.88 120.40 105.99 1wmr s VAL 123 Ca 0.64 -1.12 -0.02 0.00 -1.81 0.00 0.00 61.98 59.67 1wmr s VAL 123 Cb -0.32 -1.52 -0.01 0.00 0.56 0.00 0.00 36.38 35.08 1wmr s VAL 123 CO 0.39 0.37 -0.08 -0.69 -0.31 0.00 0.00 175.10 174.78 1wmr s VAL 124 N -0.67 3.25 -0.10 1.32 1.01 -0.32 -4.92 120.40 119.97 1wmr s VAL 124 Ca 0.09 -0.56 -0.16 0.00 0.00 0.00 0.00 61.98 61.34 1wmr s VAL 124 Cb -0.09 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 1wmr s VAL 124 CO 0.01 0.48 0.42 -0.63 0.00 0.00 0.00 175.10 175.37 1wmr s ILE 125 N 0.87 5.18 -0.05 2.22 -1.09 -1.26 -1.54 121.20 125.53 1wmr s ILE 125 Ca -0.02 0.83 0.03 0.00 -2.23 0.00 0.00 60.65 59.26 1wmr s ILE 125 Cb -0.15 -3.75 0.01 0.00 -1.58 0.00 0.00 42.46 36.99 1wmr s ILE 125 CO 0.01 0.40 -0.12 -0.13 -1.23 0.00 0.00 174.94 173.86 1wmr s ARG 126 N 0.18 1.51 0.42 2.79 0.52 -0.65 -2.62 118.95 121.10 1wmr s ARG 126 Ca 0.23 -0.42 -0.26 0.00 -0.52 0.00 0.00 55.73 54.76 1wmr s ARG 126 Cb -0.15 -1.30 -0.10 0.00 0.52 0.00 0.00 34.95 33.93 1wmr s ARG 126 CO 0.09 0.10 1.45 -0.35 0.02 0.00 0.00 175.30 176.61 1wmr n PRO 127 N 3.53 2.41 0.00 3.54 -0.04 -1.26 -0.05 135.00 143.13 1wmr n PRO 127 Ca -0.21 0.85 0.10 0.00 -0.04 0.00 0.00 63.50 64.21 1wmr n PRO 127 Cb 0.53 -2.63 0.49 0.00 -0.04 0.00 0.00 33.50 31.85 1wmr n PRO 127 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1wmr n THR 128 N 0.05 0.44 0.25 0.52 -2.24 -1.08 -2.78 114.28 109.44 1wmr n THR 128 Ca 0.04 0.11 0.14 0.00 -2.27 0.00 0.00 64.05 62.07 1wmr n THR 128 Cb 0.40 -0.77 0.48 0.00 -2.10 0.00 0.00 70.33 68.34 1wmr n THR 128 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1wmr h SER 129 N 0.00 0.00 -0.19 3.42 4.64 -1.98 -3.27 113.55 116.18 1wmr h SER 129 Ca 0.00 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 1wmr h SER 129 Cb 0.24 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.29 1wmr h SER 129 CO 0.00 0.04 -0.07 -0.07 -0.87 0.00 0.00 176.83 175.86 1wmr h LEU 130 N 0.00 -0.24 -1.23 5.97 3.38 -1.87 -3.46 115.31 117.86 1wmr h LEU 130 Ca -0.00 0.07 -0.37 0.00 0.09 0.00 0.00 57.88 57.66 1wmr h LEU 130 Cb 0.72 0.14 0.15 0.00 0.09 0.00 0.00 40.66 41.76 1wmr h LEU 130 CO 0.01 -0.09 -0.73 -3.20 0.09 0.00 0.00 178.44 174.52 1wmr n ASN 131 N -5.22 -4.29 -4.79 -0.43 4.05 -1.23 -4.97 115.26 98.39 1wmr n ASN 131 Ca -0.02 -0.59 -0.36 0.00 0.45 0.00 0.00 54.58 54.06 1wmr n ASN 131 Cb 0.14 -5.02 -0.04 0.00 1.23 0.00 0.00 39.78 36.09 1wmr n ASN 131 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 1wmr s PHE 132 N -3.35 3.26 0.22 1.20 2.99 -1.26 -4.98 117.98 116.05 1wmr s PHE 132 Ca 0.31 1.64 -0.31 0.00 0.00 0.00 0.00 56.93 58.58 1wmr s PHE 132 Cb -0.14 -3.08 -0.10 0.00 0.00 0.00 0.00 43.02 39.70 1wmr s PHE 132 CO 0.73 -0.56 1.55 -2.14 -0.00 0.00 0.00 175.22 174.81 1wmr s PRO 133 N -2.64 4.20 -0.10 0.24 0.02 -1.25 -4.89 135.00 130.58 1wmr s PRO 133 Ca 0.59 2.41 0.00 0.00 0.02 0.00 0.00 61.00 64.02 1wmr s PRO 133 Cb -0.20 -3.11 0.02 0.00 0.02 0.00 0.00 34.50 31.24 1wmr s PRO 133 CO 0.25 -0.57 -0.08 0.08 -0.33 0.00 0.00 177.00 176.35 1wmr s VAL 134 N 0.59 1.00 0.12 3.83 1.01 -1.26 -1.52 120.40 124.18 1wmr s VAL 134 Ca 0.66 -0.30 0.08 0.00 0.00 0.00 0.00 61.98 62.43 1wmr s VAL 134 Cb -0.45 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1wmr s VAL 134 CO 0.38 0.36 -0.13 -0.60 0.00 0.00 0.00 175.10 175.11 1wmr s ARG 135 N 1.53 1.99 -0.16 2.72 3.52 0.76 -4.95 118.95 124.36 1wmr s ARG 135 Ca 0.01 -1.12 0.01 0.00 -0.13 0.00 0.00 55.73 54.50 1wmr s ARG 135 Cb -0.13 -2.22 0.02 0.00 -1.56 0.00 0.00 34.95 31.06 1wmr s ARG 135 CO -0.06 0.49 -0.17 0.71 -0.81 0.00 0.00 175.30 175.46 1wmr s TYR 136 N -1.26 2.45 -0.19 5.12 2.02 -1.26 -0.32 117.35 123.91 1wmr s TYR 136 Ca 0.21 -1.42 -0.04 0.00 -0.37 0.00 0.00 57.07 55.45 1wmr s TYR 136 Cb -0.11 -1.75 0.10 0.00 -0.40 0.00 0.00 41.96 39.80 1wmr s TYR 136 CO 0.13 -0.73 0.32 0.34 -1.57 0.00 0.00 175.55 174.04 1wmr s ASP 137 N 1.38 0.38 -1.11 2.29 2.15 -0.71 -4.99 116.67 116.06 1wmr s ASP 137 Ca 0.05 0.41 -0.22 0.00 0.43 0.00 0.00 52.55 53.22 1wmr s ASP 137 Cb -0.13 0.90 0.00 0.00 -0.30 0.00 0.00 42.92 43.40 1wmr s ASP 137 CO -0.12 -0.27 0.75 -3.20 -0.17 0.00 0.00 175.17 172.17 1wmr n ASN 138 N 5.36 -5.17 -3.54 -0.34 5.15 -1.26 -2.38 115.26 113.09 1wmr n ASN 138 Ca -0.06 -1.03 -0.21 0.00 -0.60 0.00 0.00 54.58 52.68 1wmr n ASN 138 Cb 0.50 -2.96 0.08 0.00 -0.53 0.00 0.00 39.78 36.87 1wmr n ASN 138 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wmr n GLN 139 N -4.15 -7.15 -3.73 1.20 3.00 -1.26 -5.00 117.38 100.29 1wmr n GLN 139 Ca -0.11 0.82 -0.13 0.00 -0.01 0.00 0.00 57.00 57.57 1wmr n GLN 139 Cb 0.59 -5.84 -0.08 0.00 0.00 0.00 0.00 30.24 24.91 1wmr n GLN 139 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 1wmr s SER 140 N -3.85 -0.22 -0.14 1.08 0.01 -1.00 -4.40 113.70 105.17 1wmr s SER 140 Ca 0.29 0.09 0.02 0.00 1.31 0.00 0.00 55.95 57.65 1wmr s SER 140 Cb -0.13 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.45 1wmr s SER 140 CO 0.74 -0.50 -0.19 -0.69 0.41 0.00 0.00 173.24 173.00 1wmr s VAL 141 N -1.58 2.34 -0.33 3.43 1.01 -0.56 -1.74 120.40 122.97 1wmr s VAL 141 Ca -0.12 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 60.90 1wmr s VAL 141 Cb -0.04 -1.95 0.03 0.00 0.00 0.00 0.00 36.38 34.41 1wmr s VAL 141 CO 0.03 0.54 0.12 -0.31 0.00 0.00 0.00 175.10 175.48 1wmr s TYR 142 N 0.72 3.21 -0.27 5.22 2.02 0.57 -1.10 117.35 127.73 1wmr s TYR 142 Ca -0.08 -1.16 -0.04 0.00 -0.37 0.00 0.00 57.07 55.42 1wmr s TYR 142 Cb -0.16 -2.30 0.02 0.00 -0.40 0.00 0.00 41.96 39.12 1wmr s TYR 142 CO 0.01 -0.65 -0.00 0.42 -1.57 0.00 0.00 175.55 173.75 1wmr s ILE 143 N 1.47 3.35 -0.57 2.71 1.01 -0.27 -0.17 121.20 128.73 1wmr s ILE 143 Ca 0.01 -0.86 -0.26 0.00 0.00 0.00 0.00 60.65 59.54 1wmr s ILE 143 Cb -0.19 -2.71 0.04 0.00 0.01 0.00 0.00 42.46 39.61 1wmr s ILE 143 CO 0.04 0.16 1.07 -0.89 0.00 0.00 0.00 174.94 175.31 1wmr s THR 144 N 1.40 4.20 -0.29 2.92 2.01 -0.57 0.13 115.64 125.43 1wmr s THR 144 Ca 0.01 0.54 -0.18 0.00 0.31 0.00 0.00 61.69 62.37 1wmr s THR 144 Cb -0.17 -4.64 -0.02 0.00 0.01 0.00 0.00 72.50 67.68 1wmr s THR 144 CO -0.01 -1.26 0.54 -0.69 -0.69 0.00 0.00 174.62 172.51 1wmr s VAL 145 N 4.47 5.03 0.43 3.82 1.01 0.42 -3.97 120.40 131.61 1wmr s VAL 145 Ca 0.36 0.74 -0.23 0.00 0.00 0.00 0.00 61.98 62.85 1wmr s VAL 145 Cb -0.10 -3.90 -0.08 0.00 0.00 0.00 0.00 36.38 32.30 1wmr s VAL 145 CO 0.21 -0.04 1.12 -2.84 0.00 0.00 0.00 175.10 173.56 1wmr s PRO 146 N 2.40 3.93 0.39 2.72 0.02 -1.26 -1.41 135.00 141.78 1wmr s PRO 146 Ca 0.21 1.68 -0.24 0.00 0.02 0.00 0.00 61.00 62.67 1wmr s PRO 146 Cb -0.15 -2.48 -0.09 0.00 0.02 0.00 0.00 34.50 31.80 1wmr s PRO 146 CO 0.11 -0.38 1.06 -0.47 -0.33 0.00 0.00 177.00 176.98 1wmr s TYR 147 N -1.58 3.27 -0.17 6.54 5.04 -1.26 -4.88 117.35 124.31 1wmr s TYR 147 Ca 0.61 1.64 -0.11 0.00 -2.44 0.00 0.00 57.07 56.78 1wmr s TYR 147 Cb -0.26 -3.15 0.06 0.00 0.35 0.00 0.00 41.96 38.95 1wmr s TYR 147 CO 0.32 -0.67 0.43 0.45 -1.34 0.00 0.00 175.55 174.74 1wmr s SER 148 N -1.51 -0.52 0.17 4.32 0.15 -1.26 -4.95 113.70 110.10 1wmr s SER 148 Ca 0.57 0.91 0.09 0.00 0.70 0.00 0.00 55.95 58.22 1wmr s SER 148 Cb -0.23 0.82 0.47 0.00 -1.71 0.00 0.00 66.02 65.37 1wmr s SER 148 CO 0.29 -0.19 1.17 -0.81 1.20 0.00 0.00 173.24 174.90 1wmr n PRO 149 N 4.01 0.06 -0.04 5.44 -0.04 -1.26 0.38 135.00 143.55 1wmr n PRO 149 Ca -0.21 0.49 0.04 0.00 -0.04 0.00 0.00 63.50 63.77 1wmr n PRO 149 Cb 0.56 -1.85 0.05 0.00 -0.04 0.00 0.00 33.50 32.22 1wmr n PRO 149 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1wmr n THR 150 N -1.78 0.37 -2.17 0.52 -2.24 -1.26 -4.69 114.28 103.02 1wmr n THR 150 Ca -0.01 -0.68 0.08 0.00 -2.27 0.00 0.00 64.05 61.17 1wmr n THR 150 Cb 0.18 0.91 -0.02 0.00 -2.10 0.00 0.00 70.33 69.30 1wmr n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wmr n GLY 151 N 0.31 -1.07 3.19 3.38 0.00 0.16 -4.84 105.19 106.33 1wmr n GLY 151 Ca 0.05 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 1wmr n GLY 151 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wmr s TYR 152 N -1.07 1.04 -0.13 1.61 1.51 0.90 -4.90 117.35 116.30 1wmr s TYR 152 Ca 0.00 -0.78 -0.03 0.00 -1.01 0.00 0.00 57.07 55.25 1wmr s TYR 152 Cb 0.00 -0.57 0.05 0.00 -0.11 0.00 0.00 41.96 41.33 1wmr s TYR 152 CO 0.00 -0.04 0.05 1.03 -1.11 0.00 0.00 175.55 175.48 1wmr s ARG 153 N -3.42 0.32 0.12 -0.62 0.52 -1.26 -0.90 118.95 113.71 1wmr s ARG 153 Ca 0.10 -0.03 -0.10 0.00 -0.52 0.00 0.00 55.73 55.19 1wmr s ARG 153 Cb 0.02 -1.43 0.00 0.00 0.52 0.00 0.00 34.95 34.06 1wmr s ARG 153 CO -0.02 -0.50 0.25 -0.59 0.02 0.00 0.00 175.30 174.46 1wmr s PHE 154 N 2.03 0.17 -0.13 -0.53 -0.12 -0.63 -4.65 117.98 114.12 1wmr s PHE 154 Ca 0.03 -0.57 -0.05 0.00 -0.05 0.00 0.00 56.93 56.29 1wmr s PHE 154 Cb -0.15 -0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.20 1wmr s PHE 154 CO -0.07 -0.62 0.05 0.45 -0.05 0.00 0.00 175.22 174.98 1wmr s SER 155 N -2.88 5.62 -0.32 1.98 0.15 0.92 -0.85 113.70 118.31 1wmr s SER 155 Ca 0.08 0.18 -0.07 0.00 0.70 0.00 0.00 55.95 56.84 1wmr s SER 155 Cb 0.04 -1.80 0.02 0.00 -1.71 0.00 0.00 66.02 62.57 1wmr s SER 155 CO -0.08 0.30 0.11 -0.69 1.20 0.00 0.00 173.24 174.08 1wmr s VAL 156 N -0.40 3.98 -0.29 4.45 1.01 -0.16 -1.63 120.40 127.36 1wmr s VAL 156 Ca 0.09 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 1wmr s VAL 156 Cb -0.12 -3.15 0.05 0.00 0.00 0.00 0.00 36.38 33.16 1wmr s VAL 156 CO 0.02 -0.06 -0.02 -1.61 0.00 0.00 0.00 175.10 173.43 1wmr s GLU 157 N 1.47 2.48 -0.23 2.72 2.02 -0.59 -4.05 118.70 122.52 1wmr s GLU 157 Ca 0.01 -1.23 -0.29 0.00 0.02 0.00 0.00 54.97 53.48 1wmr s GLU 157 Cb -0.18 -3.12 -0.00 0.00 0.10 0.00 0.00 34.13 30.92 1wmr s GLU 157 CO 0.03 -0.58 1.20 -0.06 0.02 0.00 0.00 175.26 175.87 1wmr s PHE 158 N 1.25 2.96 0.27 1.61 0.40 -1.26 -1.17 117.98 122.04 1wmr s PHE 158 Ca -0.05 1.10 -0.06 0.00 -0.60 0.00 0.00 56.93 57.33 1wmr s PHE 158 Cb -0.19 -3.57 0.51 0.00 0.51 0.00 0.00 43.02 40.28 1wmr s PHE 158 CO -0.02 -1.30 1.59 -0.44 0.70 0.00 0.00 175.22 175.75 1wmr h ASP 159 N 8.27 -0.59 0.00 1.36 3.45 -1.33 0.56 116.42 128.14 1wmr h ASP 159 Ca -0.24 0.25 0.00 0.00 0.43 0.00 0.00 57.03 57.47 1wmr h ASP 159 Cb 1.09 0.48 0.00 0.00 -0.56 0.00 0.00 39.33 40.33 1wmr h ASP 159 CO 1.00 -0.28 0.00 -0.90 -1.57 0.00 0.00 179.24 177.49 1wmr n ASP 160 N -5.48 0.00 -0.40 6.45 3.85 -1.26 -2.10 116.55 117.61 1wmr n ASP 160 Ca 0.16 -1.03 0.05 0.00 -0.71 0.00 0.00 54.79 53.26 1wmr n ASP 160 Cb 0.55 0.00 0.04 0.00 -1.35 0.00 0.00 41.12 40.36 1wmr n ASP 160 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 1wmr n ASP 161 N -0.73 1.83 -4.74 -1.12 2.03 0.19 -5.01 116.55 109.01 1wmr n ASP 161 Ca 0.07 -1.42 -0.41 0.00 0.52 0.00 0.00 54.79 53.56 1wmr n ASP 161 Cb 0.03 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.39 1wmr n ASP 161 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1wmr s LEU 162 N -0.84 4.51 0.39 -2.67 1.43 -0.89 -0.73 118.68 119.88 1wmr s LEU 162 Ca 0.12 2.06 0.03 0.00 -1.03 0.00 0.00 54.13 55.31 1wmr s LEU 162 Cb 0.08 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.66 1wmr s LEU 162 CO 0.13 -0.15 0.09 0.27 0.23 0.00 0.00 176.35 176.91 1wmr s ILE 163 N -0.42 0.85 -0.22 -0.59 -4.36 0.59 -4.89 121.20 112.17 1wmr s ILE 163 Ca 0.48 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.81 1wmr s ILE 163 Cb -0.29 -2.49 -0.02 0.00 1.25 0.00 0.00 42.46 40.91 1wmr s ILE 163 CO 0.35 0.00 0.01 -0.44 0.24 0.00 0.00 174.94 175.10 1wmr s SER 164 N -3.59 4.82 -0.25 4.36 0.01 -1.26 -2.11 113.70 115.68 1wmr s SER 164 Ca 0.27 -0.24 -0.17 0.00 1.31 0.00 0.00 55.95 57.11 1wmr s SER 164 Cb 0.05 -1.84 -0.03 0.00 0.21 0.00 0.00 66.02 64.41 1wmr s SER 164 CO 0.14 0.02 0.47 -0.76 0.41 0.00 0.00 173.24 173.51 1wmr s LEU 165 N 1.29 4.07 0.22 2.44 1.43 -1.01 -4.89 118.68 122.23 1wmr s LEU 165 Ca 0.04 0.49 -0.18 0.00 -1.03 0.00 0.00 54.13 53.45 1wmr s LEU 165 Cb -0.15 -2.60 -0.08 0.00 0.03 0.00 0.00 46.19 43.40 1wmr s LEU 165 CO 0.01 -0.22 0.69 0.00 0.23 0.00 0.00 176.35 177.07 1wmr s ALA 166 N 2.03 3.43 -2.26 4.21 0.00 -1.26 0.15 121.76 128.06 1wmr s ALA 166 Ca 0.20 0.10 0.20 0.00 0.00 0.00 0.00 51.96 52.45 1wmr s ALA 166 Cb -0.15 -2.76 0.59 0.00 0.00 0.00 0.00 23.12 20.80 1wmr s ALA 166 CO 0.09 0.35 1.46 -0.35 0.00 0.00 0.00 175.76 177.32 1wmr n PRO 167 N 0.60 1.96 -0.23 0.00 -0.04 -1.26 -4.88 135.00 131.16 1wmr n PRO 167 Ca -0.02 -1.46 -0.07 0.00 -0.04 0.00 0.00 63.50 61.90 1wmr n PRO 167 Cb 0.51 -1.41 0.04 0.00 -0.04 0.00 0.00 33.50 32.60 1wmr n PRO 167 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wmr h SER 168 N 2.79 0.90 0.00 3.54 0.87 -1.56 -3.47 113.55 116.63 1wmr h SER 168 Ca 0.00 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1wmr h SER 168 Cb 0.62 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1wmr h SER 168 CO 0.00 0.84 0.00 0.61 -0.53 0.00 0.00 176.83 177.75 1wmr n GLY 169 N -0.80 0.64 3.69 5.77 0.00 0.41 -4.37 105.19 110.52 1wmr n GLY 169 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1wmr n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wmr n ALA 170 N 0.80 2.15 -2.59 4.61 0.00 -1.22 -4.62 120.51 119.64 1wmr n ALA 170 Ca 0.00 0.31 -0.43 0.00 0.00 0.00 0.00 53.44 53.32 1wmr n ALA 170 Cb 0.00 -2.59 -0.04 0.00 0.00 0.00 0.00 19.45 16.82 1wmr n ALA 170 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1wmr s ARG 171 N 2.78 3.46 0.14 0.00 6.06 -1.26 -2.41 118.95 127.72 1wmr s ARG 171 Ca 0.82 0.02 0.00 0.00 -2.50 0.00 0.00 55.73 54.08 1wmr s ARG 171 Cb -0.49 -3.97 -0.04 0.00 0.06 0.00 0.00 34.95 30.51 1wmr s ARG 171 CO 0.38 -1.33 0.02 -0.65 -2.50 0.00 0.00 175.30 171.21 1wmr s GLN 172 N 3.88 0.97 0.26 5.12 -0.21 -0.90 -4.91 119.66 123.87 1wmr s GLN 172 Ca 0.35 -1.45 -0.30 0.00 0.02 0.00 0.00 55.36 53.98 1wmr s GLN 172 Cb -0.11 -0.01 -0.10 0.00 1.00 0.00 0.00 33.01 33.79 1wmr s GLN 172 CO 0.24 -0.17 1.45 -2.14 -2.12 0.00 0.00 175.29 172.55 1wmr s PRO 173 N -3.96 4.25 0.09 2.91 0.02 -1.26 -0.30 135.00 136.75 1wmr s PRO 173 Ca 0.21 2.33 -0.11 0.00 0.02 0.00 0.00 61.00 63.46 1wmr s PRO 173 Cb 0.07 -3.10 -0.19 0.00 0.02 0.00 0.00 34.50 31.30 1wmr s PRO 173 CO 0.01 -0.44 1.22 1.49 -0.33 0.00 0.00 177.00 178.96 1wmr h GLU 174 N 4.95 0.60 -3.70 5.54 4.81 -1.28 -3.39 114.58 122.11 1wmr h GLU 174 Ca -0.46 -0.66 -0.65 0.00 -0.13 0.00 0.00 59.36 57.46 1wmr h GLU 174 Cb 1.22 0.19 -0.41 0.00 0.63 0.00 0.00 28.75 30.38 1wmr h GLU 174 CO 0.77 1.26 -0.64 -0.80 -0.73 0.00 0.00 179.01 178.87 1wmr s ASN 175 N -7.23 4.45 0.55 1.04 0.01 -1.26 -0.87 114.94 111.63 1wmr s ASN 175 Ca -0.08 -2.81 -0.19 0.00 -0.71 0.00 0.00 52.86 49.07 1wmr s ASN 175 Cb 0.07 -1.64 -0.05 0.00 0.41 0.00 0.00 41.25 40.04 1wmr s ASN 175 CO 0.90 -0.27 1.14 0.00 -1.51 0.00 0.00 177.10 177.36 1wmr s ALA 176 N -0.00 2.67 -0.13 0.60 0.00 0.23 -4.87 121.76 120.26 1wmr s ALA 176 Ca 0.16 0.84 -0.02 0.00 0.00 0.00 0.00 51.96 52.93 1wmr s ALA 176 Cb -0.24 -3.37 0.04 0.00 0.00 0.00 0.00 23.12 19.55 1wmr s ALA 176 CO -0.02 -0.84 0.02 -1.17 0.00 0.00 0.00 175.76 173.76 1wmr s LEU 177 N -3.87 0.79 -0.03 0.00 2.96 -1.24 0.31 118.68 117.60 1wmr s LEU 177 Ca 0.73 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 54.23 1wmr s LEU 177 Cb -0.25 -0.48 -0.04 0.00 0.50 0.00 0.00 46.19 45.93 1wmr s LEU 177 CO 0.28 -0.25 0.01 -0.76 -1.32 0.00 0.00 176.35 174.31 1wmr s LEU 178 N 1.95 3.59 -0.12 -0.68 1.02 0.14 -0.99 118.68 123.59 1wmr s LEU 178 Ca 0.02 0.06 0.03 0.00 0.02 0.00 0.00 54.13 54.27 1wmr s LEU 178 Cb -0.14 -1.99 0.01 0.00 0.02 0.00 0.00 46.19 44.08 1wmr s LEU 178 CO -0.07 0.31 -0.22 -0.63 0.02 0.00 0.00 176.35 175.77 1wmr s ILE 179 N -1.04 1.95 -0.49 -0.59 1.09 -0.03 -1.77 121.20 120.32 1wmr s ILE 179 Ca 0.18 -0.93 0.03 0.00 -1.10 0.00 0.00 60.65 58.83 1wmr s ILE 179 Cb -0.12 -1.71 0.13 0.00 -1.06 0.00 0.00 42.46 39.70 1wmr s ILE 179 CO 0.08 0.53 0.23 -0.36 -0.10 0.00 0.00 174.94 175.33 1wmr s PHE 180 N 0.62 3.32 -0.41 3.97 2.99 -0.29 -1.60 117.98 126.58 1wmr s PHE 180 Ca -0.13 -3.10 -0.19 0.00 0.00 0.00 0.00 56.93 53.51 1wmr s PHE 180 Cb -0.17 -2.88 0.02 0.00 0.00 0.00 0.00 43.02 39.99 1wmr s PHE 180 CO 0.03 -0.79 0.56 0.00 -0.00 0.00 0.00 175.22 175.02 1wmr s ALA 181 N -0.01 3.40 0.25 5.36 0.00 -0.08 -1.95 121.76 128.73 1wmr s ALA 181 Ca 0.16 -1.24 0.10 0.00 0.00 0.00 0.00 51.96 50.98 1wmr s ALA 181 Cb -0.24 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1wmr s ALA 181 CO -0.02 -1.60 -0.08 -1.12 0.00 0.00 0.00 175.76 172.94 1wmr s SER 182 N 1.89 4.21 0.75 0.00 0.01 -0.31 -0.07 113.70 120.19 1wmr s SER 182 Ca 0.19 -0.74 -0.11 0.00 1.31 0.00 0.00 55.95 56.60 1wmr s SER 182 Cb -0.15 -0.66 0.04 0.00 0.21 0.00 0.00 66.02 65.46 1wmr s SER 182 CO 0.16 0.03 1.08 -2.16 0.41 0.00 0.00 173.24 172.77 1wmr s PRO 183 N -3.46 2.46 0.90 12.44 0.04 -1.26 -1.47 135.00 144.65 1wmr s PRO 183 Ca 0.30 0.73 -0.10 0.00 0.04 0.00 0.00 61.00 61.96 1wmr s PRO 183 Cb -0.06 -1.95 0.13 0.00 0.04 0.00 0.00 34.50 32.66 1wmr s PRO 183 CO 0.18 -1.37 1.14 -0.06 0.04 0.00 0.00 177.00 176.92 1wmr s PHE 184 N -3.14 1.76 0.12 0.56 2.99 -1.24 -4.67 117.98 114.36 1wmr s PHE 184 Ca 0.59 1.74 -0.20 0.00 0.00 0.00 0.00 56.93 59.07 1wmr s PHE 184 Cb -0.14 -3.29 -0.07 0.00 0.00 0.00 0.00 43.02 39.52 1wmr s PHE 184 CO 0.54 -2.67 0.64 -1.21 -0.00 0.00 0.00 175.22 172.52 1wmr s GLU 185 N -4.69 4.28 0.54 0.44 2.02 -1.26 -5.06 118.70 114.96 1wmr s GLU 185 Ca 0.66 0.84 0.07 0.00 0.02 0.00 0.00 54.97 56.56 1wmr s GLU 185 Cb -0.22 -3.17 0.07 0.00 0.10 0.00 0.00 34.13 30.91 1wmr s GLU 185 CO 0.58 0.58 0.58 0.27 0.02 0.00 0.00 175.26 177.29 1wmr n ASN 186 N 1.47 2.32 0.29 -0.19 0.23 -1.26 -4.88 115.26 113.25 1wmr n ASN 186 Ca -0.08 -2.62 0.19 0.00 -0.53 0.00 0.00 54.58 51.54 1wmr n ASN 186 Cb 0.50 -0.23 0.99 0.00 -2.08 0.00 0.00 39.78 38.96 1wmr n ASN 186 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1wmr h SER 187 N 0.34 0.00 1.13 0.53 0.02 -1.99 -0.98 113.55 112.61 1wmr h SER 187 Ca -0.29 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.60 1wmr h SER 187 Cb 1.20 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 1wmr h SER 187 CO 0.44 0.00 -0.90 0.77 -1.14 0.00 0.00 176.83 176.00 1wmr h SER 188 N 0.00 0.00 -0.00 3.07 4.64 -2.02 -3.38 113.55 115.86 1wmr h SER 188 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wmr h SER 188 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1wmr h SER 188 CO 0.00 0.22 -0.41 0.35 -0.87 0.00 0.00 176.83 176.12 1wmr n THR 189 N -2.87 0.00 -3.80 2.95 -2.24 -0.55 -4.94 114.28 102.84 1wmr n THR 189 Ca -0.02 -0.29 -0.26 0.00 -2.27 0.00 0.00 64.05 61.21 1wmr n THR 189 Cb 0.65 1.02 -0.17 0.00 -2.10 0.00 0.00 70.33 69.73 1wmr n THR 189 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1wmr s LYS 190 N -1.82 0.88 0.62 -0.78 2.20 -0.48 -3.75 119.74 116.61 1wmr s LYS 190 Ca 0.05 -0.22 -0.18 0.00 -0.36 0.00 0.00 55.97 55.25 1wmr s LYS 190 Cb 0.08 -1.61 -0.02 0.00 -1.51 0.00 0.00 37.83 34.76 1wmr s LYS 190 CO 0.37 -0.43 1.21 -2.14 -0.36 0.00 0.00 175.35 173.99 1wmr s PRO 191 N 1.84 2.84 0.20 4.03 0.02 -1.26 -4.58 135.00 138.09 1wmr s PRO 191 Ca 0.02 1.80 -0.28 0.00 0.02 0.00 0.00 61.00 62.56 1wmr s PRO 191 Cb -0.14 -1.91 -0.08 0.00 0.02 0.00 0.00 34.50 32.38 1wmr s PRO 191 CO -0.07 -1.30 0.88 -0.65 -0.33 0.00 0.00 177.00 175.53 1wmr s GLN 192 N -3.45 4.74 0.54 5.54 -1.52 -1.26 -5.02 119.66 119.23 1wmr s GLN 192 Ca 0.77 1.37 -0.20 0.00 -1.95 0.00 0.00 55.36 55.34 1wmr s GLN 192 Cb -0.30 -3.29 -0.06 0.00 -0.22 0.00 0.00 33.01 29.15 1wmr s GLN 192 CO 0.35 0.50 1.14 -1.25 -0.25 0.00 0.00 175.29 175.79 1wmr s PRO 193 N -1.02 3.36 0.00 2.91 0.04 -1.26 -3.98 135.00 135.05 1wmr s PRO 193 Ca 0.40 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1wmr s PRO 193 Cb -0.25 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1wmr s PRO 193 CO 0.30 -0.85 0.00 0.41 0.04 0.00 0.00 177.00 176.89 1wmr n GLY 194 N 0.24 0.67 3.73 0.56 0.00 -1.26 -5.03 105.19 104.10 1wmr n GLY 194 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1wmr n GLY 194 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wmr s SER 195 N -2.24 6.83 0.30 1.61 0.15 -1.26 -4.88 113.70 114.21 1wmr s SER 195 Ca 0.00 2.43 0.24 0.00 0.70 0.00 0.00 55.95 59.32 1wmr s SER 195 Cb 0.00 -2.61 1.09 0.00 -1.71 0.00 0.00 66.02 62.80 1wmr s SER 195 CO 0.00 -0.60 1.72 1.55 1.20 0.00 0.00 173.24 177.11 1wmr h PRO 196 N 5.74 0.00 -0.65 5.44 0.13 -1.97 -2.40 132.00 138.29 1wmr h PRO 196 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1wmr h PRO 196 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1wmr h PRO 196 CO 0.80 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.66 1wmr n ASN 197 N -2.30 4.72 -4.34 1.44 3.02 -1.26 -4.92 115.26 111.63 1wmr n ASN 197 Ca 0.01 -2.47 -0.20 0.00 -0.03 0.00 0.00 54.58 51.89 1wmr n ASN 197 Cb 0.16 -0.58 -0.11 0.00 -0.61 0.00 0.00 39.78 38.64 1wmr n ASN 197 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1wmr s SER 198 N -0.87 2.63 -0.08 6.41 1.04 -0.90 -1.16 113.70 120.76 1wmr s SER 198 Ca 0.50 -0.94 0.01 0.00 0.48 0.00 0.00 55.95 56.01 1wmr s SER 198 Cb 0.33 -0.15 0.02 0.00 0.10 0.00 0.00 66.02 66.32 1wmr s SER 198 CO 0.23 -0.10 -0.10 -0.51 0.98 0.00 0.00 173.24 173.75 1wmr s ILE 199 N -2.48 1.03 -0.81 -1.02 2.07 -0.13 -4.88 121.20 114.97 1wmr s ILE 199 Ca 0.19 -0.36 -0.05 0.00 -1.41 0.00 0.00 60.65 59.01 1wmr s ILE 199 Cb -0.03 -0.99 0.21 0.00 0.13 0.00 0.00 42.46 41.77 1wmr s ILE 199 CO 0.07 0.35 0.69 0.00 -1.91 0.00 0.00 174.94 174.14 1wmr s ALA 200 N 1.11 4.04 0.33 1.50 0.00 -1.26 -1.65 121.76 125.82 1wmr s ALA 200 Ca -0.06 -3.54 -0.29 0.00 0.00 0.00 0.00 51.96 48.07 1wmr s ALA 200 Cb -0.14 -2.98 -0.12 0.00 0.00 0.00 0.00 23.12 19.87 1wmr s ALA 200 CO -0.01 -2.17 1.32 -0.35 0.00 0.00 0.00 175.76 174.55 1wmr n PRO 201 N 3.09 2.14 -1.64 0.00 -0.04 -1.25 -4.98 135.00 132.31 1wmr n PRO 201 Ca 0.15 0.75 -0.30 0.00 -0.04 0.00 0.00 63.50 64.06 1wmr n PRO 201 Cb 0.39 -2.35 0.06 0.00 -0.04 0.00 0.00 33.50 31.56 1wmr n PRO 201 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wmr s ALA 202 N -0.91 2.57 0.55 0.55 0.00 -1.26 -4.73 121.76 118.53 1wmr s ALA 202 Ca 0.57 -0.13 -0.20 0.00 0.00 0.00 0.00 51.96 52.20 1wmr s ALA 202 Cb -0.58 -3.11 -0.06 0.00 0.00 0.00 0.00 23.12 19.37 1wmr s ALA 202 CO 0.60 -1.38 1.03 -2.30 0.00 0.00 0.00 175.76 173.71 1wmr n PRO 203 N -3.21 1.14 0.00 0.00 -0.02 -1.26 -4.79 135.00 126.86 1wmr n PRO 203 Ca 0.07 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1wmr n PRO 203 Cb 0.55 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1wmr n PRO 203 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wmr n GLY 204 N 1.18 -0.19 3.73 -1.23 0.00 -0.77 -4.98 105.19 102.92 1wmr n GLY 204 Ca 0.12 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 1wmr n GLY 204 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wmr s ARG 205 N 0.00 4.16 -0.22 1.61 6.06 -1.26 -1.66 118.95 127.64 1wmr s ARG 205 Ca 0.00 2.51 -0.10 0.00 -2.50 0.00 0.00 55.73 55.64 1wmr s ARG 205 Cb 0.00 -3.09 -0.05 0.00 0.06 0.00 0.00 34.95 31.87 1wmr s ARG 205 CO 0.00 -0.67 0.15 0.08 -2.50 0.00 0.00 175.30 172.36 1wmr s VAL 206 N 0.93 5.38 0.01 7.11 1.01 -0.84 -4.89 120.40 129.11 1wmr s VAL 206 Ca 0.71 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.89 1wmr s VAL 206 Cb -0.47 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 1wmr s VAL 206 CO 0.35 0.39 -0.02 -0.76 0.00 0.00 0.00 175.10 175.06 1wmr s LEU 207 N 0.70 2.13 0.00 3.92 1.43 -1.26 -4.84 118.68 120.76 1wmr s LEU 207 Ca 0.08 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1wmr s LEU 207 Cb -0.12 0.05 0.00 0.00 0.03 0.00 0.00 46.19 46.14 1wmr s LEU 207 CO 0.01 -0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.05 1wmr n GLY 208 N 2.30 0.81 0.23 -3.19 0.00 -1.26 -4.93 105.19 99.15 1wmr n GLY 208 Ca -0.18 0.00 0.16 0.00 0.00 0.00 0.00 46.02 45.99 1wmr n GLY 208 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wmr h LEU 209 N 0.00 0.00 -0.28 0.99 3.38 -1.90 -2.34 115.31 115.16 1wmr h LEU 209 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wmr h LEU 209 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1wmr h LEU 209 CO 0.00 0.00 0.00 -0.46 0.09 0.00 0.00 178.44 178.07 1wmr n ASN 210 N -2.72 0.43 -0.03 -0.43 6.94 -0.79 -1.64 115.26 117.02 1wmr n ASN 210 Ca 0.00 -1.16 0.00 0.00 -0.02 0.00 0.00 54.58 53.41 1wmr n ASN 210 Cb 0.22 -0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.64 1wmr n ASN 210 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1wmr n THR 211 N -0.66 0.00 -1.80 5.53 -2.24 -0.92 -3.94 114.28 110.25 1wmr n THR 211 Ca 0.22 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.67 1wmr n THR 211 Cb 0.18 0.93 0.04 0.00 -2.10 0.00 0.00 70.33 69.38 1wmr n THR 211 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1wmr s THR 212 N 0.00 3.18 -1.45 4.28 -1.32 -0.98 -4.94 115.64 114.42 1wmr s THR 212 Ca 0.00 0.57 0.25 0.00 -1.21 0.00 0.00 61.69 61.30 1wmr s THR 212 Cb 0.00 -3.10 0.08 0.00 -1.51 0.00 0.00 72.50 67.97 1wmr s THR 212 CO 0.00 -0.32 1.37 -1.20 -2.21 0.00 0.00 174.62 172.27 1wmr n SER 213 N -2.29 0.97 -4.72 8.08 7.64 -1.26 -4.69 113.62 117.36 1wmr n SER 213 Ca 0.11 -0.77 -0.32 0.00 1.01 0.00 0.00 58.87 58.90 1wmr n SER 213 Cb 0.52 0.32 0.12 0.00 -1.01 0.00 0.00 64.21 64.16 1wmr n SER 213 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wmr s ALA 214 N -2.73 1.89 -0.43 -0.43 0.00 -1.26 -4.90 121.76 113.90 1wmr s ALA 214 Ca 0.17 0.52 0.06 0.00 0.00 0.00 0.00 51.96 52.71 1wmr s ALA 214 Cb 0.18 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 1wmr s ALA 214 CO 0.63 -2.21 0.37 -1.13 0.00 0.00 0.00 175.76 173.43 1wmr n SER 215 N -3.67 0.62 -3.72 0.00 3.41 -0.31 -3.30 113.62 106.65 1wmr n SER 215 Ca 0.11 -0.81 -0.22 0.00 -0.26 0.00 0.00 58.87 57.69 1wmr n SER 215 Cb 0.52 0.74 -0.18 0.00 -0.26 0.00 0.00 64.21 65.03 1wmr n SER 215 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1wmr s THR 216 N -1.30 0.15 -0.20 6.66 2.01 -1.17 -1.02 115.64 120.77 1wmr s THR 216 Ca 0.04 0.19 -0.11 0.00 0.31 0.00 0.00 61.69 62.12 1wmr s THR 216 Cb 0.05 -0.41 -0.05 0.00 0.01 0.00 0.00 72.50 72.10 1wmr s THR 216 CO 0.20 0.16 0.18 -0.69 -0.69 0.00 0.00 174.62 173.79 1wmr s VAL 217 N 2.06 5.37 -0.20 3.82 1.01 0.60 -0.95 120.40 132.10 1wmr s VAL 217 Ca 0.04 0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.32 1wmr s VAL 217 Cb -0.13 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.77 1wmr s VAL 217 CO -0.05 0.40 -0.16 -0.69 0.00 0.00 0.00 175.10 174.60 1wmr s VAL 218 N 0.58 2.00 -0.44 2.92 1.01 -0.66 -0.85 120.40 124.97 1wmr s VAL 218 Ca 0.10 -1.13 -0.13 0.00 0.00 0.00 0.00 61.98 60.82 1wmr s VAL 218 Cb -0.12 -1.94 0.07 0.00 0.00 0.00 0.00 36.38 34.39 1wmr s VAL 218 CO 0.01 0.32 0.33 -0.36 0.00 0.00 0.00 175.10 175.40 1wmr s PHE 219 N 1.26 3.28 0.77 5.22 0.08 -0.23 -3.86 117.98 124.50 1wmr s PHE 219 Ca 0.00 -1.12 -0.10 0.00 0.12 0.00 0.00 56.93 55.83 1wmr s PHE 219 Cb -0.15 -3.01 0.07 0.00 -0.57 0.00 0.00 43.02 39.36 1wmr s PHE 219 CO -0.10 -0.79 1.11 -0.80 -0.10 0.00 0.00 175.22 174.54 1wmr s ASN 220 N 2.30 4.63 0.03 1.36 0.01 -1.26 -1.34 114.94 120.67 1wmr s ASN 220 Ca 0.04 0.64 -0.39 0.00 -0.71 0.00 0.00 52.86 52.44 1wmr s ASN 220 Cb -0.23 -1.20 -0.19 0.00 0.41 0.00 0.00 41.25 40.04 1wmr s ASN 220 CO 0.05 -1.78 1.10 -2.65 -1.51 0.00 0.00 177.10 172.31 1wmr n PRO 221 N -3.15 0.26 0.00 -0.60 -0.02 -1.26 -4.53 135.00 125.70 1wmr n PRO 221 Ca 0.08 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1wmr n PRO 221 Cb 0.61 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 1wmr n PRO 221 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wmr n GLY 222 N 1.74 2.71 3.75 -1.23 0.00 -0.50 -4.89 105.19 106.77 1wmr n GLY 222 Ca 0.19 -1.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.20 1wmr n GLY 222 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wmr s VAL 223 N -1.88 5.21 0.12 1.61 1.01 -1.26 -1.30 120.40 123.91 1wmr s VAL 223 Ca 0.00 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.13 1wmr s VAL 223 Cb 0.00 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1wmr s VAL 223 CO 0.00 0.51 -0.10 -0.31 0.00 0.00 0.00 175.10 175.20 1wmr s TYR 224 N -0.14 1.13 -0.22 5.22 1.51 0.21 -1.85 117.35 123.21 1wmr s TYR 224 Ca 0.09 -0.74 -0.26 0.00 -1.01 0.00 0.00 57.07 55.14 1wmr s TYR 224 Cb -0.12 -0.60 0.08 0.00 -0.11 0.00 0.00 41.96 41.21 1wmr s TYR 224 CO 0.01 0.01 0.77 1.52 -1.11 0.00 0.00 175.55 176.75 1wmr s TYR 225 N -3.03 -0.70 0.00 2.71 -0.85 -0.67 -0.91 117.35 113.91 1wmr s TYR 225 Ca 0.12 1.59 0.00 0.00 -0.52 0.00 0.00 57.07 58.26 1wmr s TYR 225 Cb 0.01 0.32 0.00 0.00 0.38 0.00 0.00 41.96 42.67 1wmr s TYR 225 CO -0.01 -0.40 0.00 1.19 -1.52 0.00 0.00 175.55 174.81 1wmr n PHE 226 N 2.16 -1.26 -3.26 -3.49 3.01 -0.23 -1.98 117.46 112.41 1wmr n PHE 226 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.31 1wmr n PHE 226 Cb 0.56 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.03 1wmr n PHE 226 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1wmr n THR 227 N -0.42 0.00 1.76 4.37 -1.04 -1.23 -4.89 114.28 112.83 1wmr n THR 227 Ca 0.00 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.16 1wmr n THR 227 Cb 0.00 -0.40 0.80 0.00 -1.82 0.00 0.00 70.33 68.92 1wmr n THR 227 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1wmr n GLY 228 N 5.00 -0.85 2.55 3.41 0.00 -1.26 -3.57 105.19 110.47 1wmr n GLY 228 Ca 0.00 -0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 1wmr n GLY 228 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1wmr n HIS 229 N -0.83 2.49 0.00 1.61 -0.00 -1.26 -4.70 115.22 112.53 1wmr n HIS 229 Ca 0.21 -2.96 0.00 0.00 -0.00 0.00 0.00 57.72 54.97 1wmr n HIS 229 Cb 0.19 -0.20 0.00 0.00 -0.00 0.00 0.00 29.99 29.98 1wmr n HIS 229 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1wmr n ASP 230 N -0.32 0.00 -4.13 4.39 2.03 -1.23 -4.94 116.55 112.35 1wmr n ASP 230 Ca 0.27 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.45 1wmr n ASP 230 Cb 0.73 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 41.03 1wmr n ASP 230 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 1wmr s HIS 231 N -1.88 1.23 -1.21 -0.67 -3.43 -1.26 -3.51 115.29 104.56 1wmr s HIS 231 Ca 0.00 -1.40 -0.21 0.00 -0.80 0.00 0.00 55.06 52.66 1wmr s HIS 231 Cb 0.00 -0.59 -0.03 0.00 -1.43 0.00 0.00 32.58 30.53 1wmr s HIS 231 CO 0.00 -0.65 1.88 -0.12 -2.00 0.00 0.00 174.74 173.85 1wmr n MET 232 N -0.31 2.23 -2.76 -0.38 1.56 0.08 -4.94 117.12 112.61 1wmr n MET 232 Ca 0.02 -2.73 -0.42 0.00 -0.27 0.00 0.00 57.70 54.30 1wmr n MET 232 Cb 0.66 -3.57 -0.03 0.00 2.15 0.00 0.00 33.22 32.43 1wmr n MET 232 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 1wmr s VAL 233 N 7.77 4.75 -0.05 1.12 1.01 -1.26 -1.79 120.40 131.95 1wmr s VAL 233 Ca 0.61 1.83 -0.13 0.00 0.00 0.00 0.00 61.98 64.29 1wmr s VAL 233 Cb 0.03 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 1wmr s VAL 233 CO 0.10 -0.13 0.33 -0.76 0.00 0.00 0.00 175.10 174.65 1wmr s LEU 234 N 3.00 4.42 0.88 3.92 1.43 0.09 -1.89 118.68 130.53 1wmr s LEU 234 Ca 0.40 0.78 -0.11 0.00 -1.03 0.00 0.00 54.13 54.17 1wmr s LEU 234 Cb -0.15 -2.43 0.13 0.00 0.03 0.00 0.00 46.19 43.76 1wmr s LEU 234 CO 0.07 0.31 1.17 -0.94 0.23 0.00 0.00 176.35 177.19 1wmr s SER 235 N -0.82 3.12 0.64 2.29 1.04 -0.65 -2.33 113.70 116.99 1wmr s SER 235 Ca 0.21 2.27 0.36 0.00 0.48 0.00 0.00 55.95 59.26 1wmr s SER 235 Cb -0.15 -2.58 1.98 0.00 0.10 0.00 0.00 66.02 65.37 1wmr s SER 235 CO 0.10 -2.98 2.17 0.77 0.98 0.00 0.00 173.24 174.27 1wmr h SER 236 N -1.54 0.00 1.24 7.02 4.64 -1.86 0.66 113.55 123.70 1wmr h SER 236 Ca -0.44 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.85 1wmr h SER 236 Cb 1.28 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1wmr h SER 236 CO 0.43 0.00 -0.12 -1.28 -0.87 0.00 0.00 176.83 174.99 1wmr h SER 237 N 0.00 0.00 -3.25 4.97 0.87 -1.83 -3.35 113.55 110.95 1wmr h SER 237 Ca 0.02 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 60.00 1wmr h SER 237 Cb 0.33 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.21 1wmr h SER 237 CO -0.00 0.12 0.51 -0.69 -0.53 0.00 0.00 176.83 176.24 1wmr s VAL 238 N -3.50 4.82 0.00 2.23 1.01 0.22 -3.90 120.40 121.29 1wmr s VAL 238 Ca 0.02 1.70 0.00 0.00 0.00 0.00 0.00 61.98 63.70 1wmr s VAL 238 Cb 0.08 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1wmr s VAL 238 CO 0.62 -0.05 0.40 0.35 0.00 0.00 0.00 175.10 176.42 1wmr n THR 239 N 5.05 0.00 -3.70 3.92 -2.24 -0.19 -4.50 114.28 112.62 1wmr n THR 239 Ca 0.06 -0.47 -0.12 0.00 -2.27 0.00 0.00 64.05 61.26 1wmr n THR 239 Cb 0.48 1.05 -0.12 0.00 -2.10 0.00 0.00 70.33 69.64 1wmr n THR 239 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1wmr s TRP 240 N -0.14 -0.48 -0.14 4.78 -0.00 -0.78 0.52 118.94 122.69 1wmr s TRP 240 Ca 0.00 1.06 0.01 0.00 -0.00 0.00 0.00 56.10 57.17 1wmr s TRP 240 Cb 0.00 0.12 0.02 0.00 -0.00 0.00 0.00 33.47 33.61 1wmr s TRP 240 CO 0.00 -0.32 -0.18 0.08 -0.00 0.00 0.00 176.95 176.53 1wmr s VAL 241 N 1.71 1.79 -0.12 5.86 1.01 0.19 -0.29 120.40 130.55 1wmr s VAL 241 Ca -0.06 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1wmr s VAL 241 Cb -0.10 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 1wmr s VAL 241 CO -0.10 0.50 -0.16 -0.47 0.00 0.00 0.00 175.10 174.86 1wmr s TYR 242 N 1.12 2.74 -0.34 5.22 5.04 -0.03 -0.68 117.35 130.43 1wmr s TYR 242 Ca -0.02 -0.76 -0.01 0.00 -2.44 0.00 0.00 57.07 53.84 1wmr s TYR 242 Cb -0.14 -1.81 0.08 0.00 0.35 0.00 0.00 41.96 40.44 1wmr s TYR 242 CO -0.06 -0.27 0.07 -0.06 -1.34 0.00 0.00 175.55 173.88 1wmr s PHE 243 N 0.35 3.44 0.65 4.97 0.40 0.52 -1.07 117.98 127.24 1wmr s PHE 243 Ca -0.13 -2.22 -0.16 0.00 -0.60 0.00 0.00 56.93 53.82 1wmr s PHE 243 Cb -0.17 -2.57 -0.00 0.00 0.51 0.00 0.00 43.02 40.80 1wmr s PHE 243 CO 0.07 -0.88 1.14 0.00 0.70 0.00 0.00 175.22 176.24 1wmr s ALA 244 N 1.16 2.43 0.13 5.36 0.00 -0.45 -0.65 121.76 129.74 1wmr s ALA 244 Ca 0.01 0.68 -0.31 0.00 0.00 0.00 0.00 51.96 52.34 1wmr s ALA 244 Cb -0.21 -3.36 -0.10 0.00 0.00 0.00 0.00 23.12 19.45 1wmr s ALA 244 CO -0.03 -1.32 1.70 -2.14 0.00 0.00 0.00 175.76 173.97 1wmr s PRO 245 N -3.89 4.17 0.00 0.00 0.02 -1.26 -0.22 135.00 133.81 1wmr s PRO 245 Ca 0.70 2.46 0.00 0.00 0.02 0.00 0.00 61.00 64.18 1wmr s PRO 245 Cb -0.23 -3.41 0.00 0.00 0.02 0.00 0.00 34.50 30.88 1wmr s PRO 245 CO 0.40 -0.74 0.00 0.41 -0.33 0.00 0.00 177.00 176.74 1wmr n GLY 246 N 4.01 0.41 3.86 0.52 0.00 -1.26 -4.56 105.19 108.18 1wmr n GLY 246 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1wmr n GLY 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wmr s ALA 247 N -2.00 3.86 -0.14 4.61 0.00 0.69 -1.40 121.76 127.37 1wmr s ALA 247 Ca 0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 51.96 51.31 1wmr s ALA 247 Cb 0.00 -2.00 0.04 0.00 0.00 0.00 0.00 23.12 21.16 1wmr s ALA 247 CO 0.00 0.57 -0.01 -0.47 0.00 0.00 0.00 175.76 175.85 1wmr s TYR 248 N -0.88 1.14 -0.18 0.00 6.14 -0.42 -0.92 117.35 122.24 1wmr s TYR 248 Ca 0.14 -0.71 0.01 0.00 0.64 0.00 0.00 57.07 57.16 1wmr s TYR 248 Cb -0.12 -1.06 0.02 0.00 0.42 0.00 0.00 41.96 41.23 1wmr s TYR 248 CO 0.04 -0.52 -0.19 0.08 0.64 0.00 0.00 175.55 175.59 1wmr s VAL 249 N 1.82 2.09 -0.38 3.14 1.01 0.58 -0.61 120.40 128.04 1wmr s VAL 249 Ca 0.02 -0.97 -0.22 0.00 0.00 0.00 0.00 61.98 60.81 1wmr s VAL 249 Cb -0.15 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.35 1wmr s VAL 249 CO -0.07 0.51 0.71 -0.54 0.00 0.00 0.00 175.10 175.71 1wmr s LYS 250 N 1.28 3.62 0.00 2.72 1.02 -0.08 -0.17 119.74 128.12 1wmr s LYS 250 Ca 0.04 0.07 0.00 0.00 0.02 0.00 0.00 55.97 56.10 1wmr s LYS 250 Cb -0.13 -3.85 0.00 0.00 -0.52 0.00 0.00 37.83 33.33 1wmr s LYS 250 CO -0.12 -0.86 0.00 0.41 -0.92 0.00 0.00 175.35 173.85 1wmr n GLY 251 N 4.71 -0.77 3.07 -3.33 0.00 0.90 -1.06 105.19 108.70 1wmr n GLY 251 Ca 0.01 -1.05 -0.11 0.00 0.00 0.00 0.00 46.02 44.86 1wmr n GLY 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wmr s ALA 252 N -1.00 -0.28 -0.03 4.61 0.00 -1.26 -3.90 121.76 119.90 1wmr s ALA 252 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 51.96 51.95 1wmr s ALA 252 Cb 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 1wmr s ALA 252 CO 0.00 -0.16 -0.01 0.14 0.00 0.00 0.00 175.76 175.73 1wmr s VAL 253 N -0.94 4.11 -0.14 0.00 -7.23 -0.58 -0.74 120.40 114.88 1wmr s VAL 253 Ca -0.10 -0.53 -0.04 0.00 -1.81 0.00 0.00 61.98 59.50 1wmr s VAL 253 Cb -0.06 -2.79 0.06 0.00 0.56 0.00 0.00 36.38 34.15 1wmr s VAL 253 CO 0.01 0.45 0.12 -0.70 -0.31 0.00 0.00 175.10 174.66 1wmr s GLU 254 N -1.33 0.05 0.26 4.82 2.12 -0.74 -1.69 118.70 122.20 1wmr s GLU 254 Ca 0.17 0.13 -0.22 0.00 0.36 0.00 0.00 54.97 55.41 1wmr s GLU 254 Cb -0.11 -1.30 -0.09 0.00 0.26 0.00 0.00 34.13 32.89 1wmr s GLU 254 CO 0.07 -0.56 0.80 -0.06 -0.54 0.00 0.00 175.26 174.97 1wmr s PHE 255 N 2.20 3.66 -0.38 5.30 0.40 -0.58 -0.73 117.98 127.85 1wmr s PHE 255 Ca 0.04 1.53 0.16 0.00 -0.60 0.00 0.00 56.93 58.05 1wmr s PHE 255 Cb -0.15 -2.72 -0.21 0.00 0.51 0.00 0.00 43.02 40.45 1wmr s PHE 255 CO -0.08 0.29 0.51 1.28 0.70 0.00 0.00 175.22 177.92 1wmr n LEU 256 N 0.65 0.37 -4.76 -0.37 4.77 -0.99 -4.04 117.00 112.63 1wmr n LEU 256 Ca -0.01 -0.25 -0.41 0.00 -0.03 0.00 0.00 56.01 55.32 1wmr n LEU 256 Cb 0.51 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 1wmr n LEU 256 CO 0.43 0.09 1.06 -0.55 -1.33 0.00 0.00 177.39 177.10 1wmr s SER 257 N -3.18 6.63 -0.12 -1.43 0.15 -1.26 -4.61 113.70 109.89 1wmr s SER 257 Ca -0.00 2.77 0.14 0.00 0.70 0.00 0.00 55.95 59.56 1wmr s SER 257 Cb 0.11 -2.64 0.38 0.00 -1.71 0.00 0.00 66.02 62.16 1wmr s SER 257 CO 0.66 -0.67 1.29 0.35 1.20 0.00 0.00 173.24 176.07 1wmr n THR 258 N 1.27 1.83 -0.58 6.45 -2.24 -1.26 -4.56 114.28 115.19 1wmr n THR 258 Ca 0.03 -1.72 -0.30 0.00 -2.27 0.00 0.00 64.05 59.79 1wmr n THR 258 Cb 0.41 -0.04 0.21 0.00 -2.10 0.00 0.00 70.33 68.81 1wmr n THR 258 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wmr s ALA 259 N -2.32 0.48 0.66 6.98 0.00 -1.26 -4.73 121.76 121.57 1wmr s ALA 259 Ca 0.32 0.29 0.35 0.00 0.00 0.00 0.00 51.96 52.92 1wmr s ALA 259 Cb 0.25 -3.37 1.92 0.00 0.00 0.00 0.00 23.12 21.92 1wmr s ALA 259 CO 0.08 -3.35 2.09 0.66 0.00 0.00 0.00 175.76 175.25 1wmr h SER 260 N -2.28 0.00 -3.63 0.00 4.64 -1.95 -3.42 113.55 106.90 1wmr h SER 260 Ca -0.52 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.70 1wmr h SER 260 Cb 1.30 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.15 1wmr h SER 260 CO 0.45 0.00 -0.19 -0.70 -0.87 0.00 0.00 176.83 175.52 1wmr s GLU 261 N -4.15 0.51 -0.01 4.77 2.12 -1.26 -0.89 118.70 119.79 1wmr s GLU 261 Ca -0.04 0.74 0.05 0.00 0.36 0.00 0.00 54.97 56.08 1wmr s GLU 261 Cb 0.11 0.17 -0.01 0.00 0.26 0.00 0.00 34.13 34.65 1wmr s GLU 261 CO 0.34 -0.10 -0.17 0.14 -0.54 0.00 0.00 175.26 174.93 1wmr s VAL 262 N 0.70 1.32 0.01 3.70 -7.23 -0.83 -4.79 120.40 113.29 1wmr s VAL 262 Ca -0.04 -0.72 0.01 0.00 -1.81 0.00 0.00 61.98 59.43 1wmr s VAL 262 Cb -0.05 -1.10 -0.01 0.00 0.56 0.00 0.00 36.38 35.78 1wmr s VAL 262 CO -0.05 0.37 -0.05 -0.75 -0.31 0.00 0.00 175.10 174.31 1wmr s LYS 263 N -0.41 0.36 -0.15 4.82 2.20 0.18 -1.75 119.74 125.00 1wmr s LYS 263 Ca 0.06 -0.35 -0.01 0.00 -0.36 0.00 0.00 55.97 55.31 1wmr s LYS 263 Cb -0.06 -0.24 0.04 0.00 -1.51 0.00 0.00 37.83 36.05 1wmr s LYS 263 CO -0.01 0.06 -0.02 0.00 -0.36 0.00 0.00 175.35 175.02 1wmr s ALA 264 N -0.58 1.20 0.34 3.13 0.00 0.05 0.55 121.76 126.46 1wmr s ALA 264 Ca -0.03 -0.63 0.07 0.00 0.00 0.00 0.00 51.96 51.36 1wmr s ALA 264 Cb -0.05 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.01 1wmr s ALA 264 CO -0.00 -0.77 0.31 -1.54 0.00 0.00 0.00 175.76 173.76 1wmr s SER 265 N 1.76 1.67 0.00 0.00 1.04 0.14 -1.42 113.70 116.89 1wmr s SER 265 Ca 0.02 -1.75 0.00 0.00 0.48 0.00 0.00 55.95 54.69 1wmr s SER 265 Cb -0.15 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1wmr s SER 265 CO -0.07 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 173.65 1wmr n GLY 266 N -0.64 2.64 1.86 7.32 0.00 -0.96 -0.36 105.19 115.06 1wmr n GLY 266 Ca 0.07 -1.92 -0.14 0.00 0.00 0.00 0.00 46.02 44.03 1wmr n GLY 266 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1wmr n HIS 267 N 0.82 2.36 -2.19 1.61 8.25 -0.77 -0.82 115.22 124.49 1wmr n HIS 267 Ca 0.00 -1.60 -0.26 0.00 -0.26 0.00 0.00 57.72 55.60 1wmr n HIS 267 Cb 0.00 -0.75 0.17 0.00 1.12 0.00 0.00 29.99 30.53 1wmr n HIS 267 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wmr n GLY 268 N -0.89 -0.63 3.54 -1.41 0.00 0.18 -4.54 105.19 101.43 1wmr n GLY 268 Ca 0.48 -1.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.32 1wmr n GLY 268 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wmr s VAL 269 N -3.53 3.55 -0.30 1.61 1.01 -0.09 -2.41 120.40 120.23 1wmr s VAL 269 Ca 0.71 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 1wmr s VAL 269 Cb -0.03 -2.45 0.06 0.00 0.00 0.00 0.00 36.38 33.96 1wmr s VAL 269 CO 0.48 0.59 0.00 -0.22 0.00 0.00 0.00 175.10 175.95 1wmr s LEU 270 N -0.64 3.97 -0.11 3.92 2.96 0.08 -0.31 118.68 128.56 1wmr s LEU 270 Ca 0.10 -1.40 0.02 0.00 -0.22 0.00 0.00 54.13 52.62 1wmr s LEU 270 Cb -0.11 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 1wmr s LEU 270 CO 0.02 -0.28 -0.16 -0.55 -1.32 0.00 0.00 176.35 174.06 1wmr s SER 271 N 1.26 3.76 -0.36 3.68 0.15 0.76 -0.90 113.70 122.05 1wmr s SER 271 Ca -0.04 -0.37 0.08 0.00 0.70 0.00 0.00 55.95 56.32 1wmr s SER 271 Cb -0.20 -1.42 0.71 0.00 -1.71 0.00 0.00 66.02 63.41 1wmr s SER 271 CO -0.02 0.19 1.82 0.61 1.20 0.00 0.00 173.24 177.04 1wmr n GLY 272 N 3.32 3.98 0.29 9.45 0.00 -0.26 -0.07 105.19 121.90 1wmr n GLY 272 Ca -0.18 -1.04 0.17 0.00 0.00 0.00 0.00 46.02 44.97 1wmr n GLY 272 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1wmr h GLU 273 N 2.10 0.00 0.00 1.61 4.11 -1.76 -1.75 114.58 118.88 1wmr h GLU 273 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.80 1wmr h GLU 273 Cb 2.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.71 1wmr h GLU 273 CO 0.83 0.00 -0.46 1.04 0.07 0.00 0.00 179.01 180.49 1wmr n GLN 274 N -2.77 0.27 -3.35 1.06 6.02 -1.26 -4.86 117.38 112.49 1wmr n GLN 274 Ca -0.02 0.11 -0.38 0.00 -0.01 0.00 0.00 57.00 56.70 1wmr n GLN 274 Cb 0.15 -1.71 -0.06 0.00 1.02 0.00 0.00 30.24 29.65 1wmr n GLN 274 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1wmr s TYR 275 N -3.14 3.67 0.82 1.08 2.02 -0.66 -4.08 117.35 117.07 1wmr s TYR 275 Ca 0.08 1.05 -0.11 0.00 -0.37 0.00 0.00 57.07 57.72 1wmr s TYR 275 Cb 0.13 -2.47 0.09 0.00 -0.40 0.00 0.00 41.96 39.31 1wmr s TYR 275 CO 0.69 0.44 1.09 0.14 -1.57 0.00 0.00 175.55 176.33 1wmr s VAL 276 N -0.41 3.06 0.36 0.71 -7.23 -1.26 -4.83 120.40 110.79 1wmr s VAL 276 Ca 0.27 0.34 -0.28 0.00 -1.81 0.00 0.00 61.98 60.50 1wmr s VAL 276 Cb -0.17 -2.90 -0.11 0.00 0.56 0.00 0.00 36.38 33.75 1wmr s VAL 276 CO 0.14 -0.45 1.50 1.87 -0.31 0.00 0.00 175.10 177.85 1wmr n TRP 277 N -3.62 2.93 -3.33 2.82 -0.00 -1.26 -2.30 117.44 112.68 1wmr n TRP 277 Ca 0.08 0.41 -0.23 0.00 -0.00 0.00 0.00 57.50 57.76 1wmr n TRP 277 Cb 0.55 -2.54 0.06 0.00 -0.00 0.00 0.00 31.31 29.38 1wmr n TRP 277 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 177.69 178.67 1wmr n TYR 278 N 0.79 -2.46 -1.91 5.87 4.19 -0.37 -4.54 117.16 118.73 1wmr n TYR 278 Ca 0.03 0.79 -0.42 0.00 3.31 0.00 0.00 57.90 61.61 1wmr n TYR 278 Cb 0.38 -4.77 -0.03 0.00 0.49 0.00 0.00 39.34 35.41 1wmr n TYR 278 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1wmr s ALA 279 N -3.26 3.67 -0.34 2.98 0.00 -0.97 -1.29 121.76 122.55 1wmr s ALA 279 Ca 0.46 1.18 -0.10 0.00 0.00 0.00 0.00 51.96 53.50 1wmr s ALA 279 Cb -0.20 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.20 1wmr s ALA 279 CO 0.57 -1.20 0.18 0.34 0.00 0.00 0.00 175.76 175.64 1wmr s ASP 280 N 2.77 5.67 0.34 0.00 -1.08 0.49 -0.25 116.67 124.61 1wmr s ASP 280 Ca 0.75 -0.69 0.08 0.00 -0.52 0.00 0.00 52.55 52.17 1wmr s ASP 280 Cb -0.39 -2.02 0.77 0.00 -1.46 0.00 0.00 42.92 39.81 1wmr s ASP 280 CO 0.33 -0.27 1.85 -0.65 0.52 0.00 0.00 175.17 176.95 1wmr h PRO 281 N 8.40 0.73 0.00 4.34 0.11 -1.88 0.58 132.00 144.28 1wmr h PRO 281 Ca -0.30 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1wmr h PRO 281 Cb 1.13 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1wmr h PRO 281 CO 0.64 0.48 0.00 -0.25 -0.21 0.00 0.00 178.00 178.66 1wmr n ASP 282 N -4.59 0.67 -1.76 -2.05 8.00 -1.26 -3.07 116.55 112.48 1wmr n ASP 282 Ca 0.19 0.60 -0.19 0.00 0.71 0.00 0.00 54.79 56.09 1wmr n ASP 282 Cb 0.47 -0.77 0.09 0.00 -0.02 0.00 0.00 41.12 40.89 1wmr n ASP 282 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1wmr n GLU 283 N -2.17 2.90 -2.97 -1.24 1.02 -0.19 -4.92 120.64 113.06 1wmr n GLU 283 Ca 0.04 -3.74 -0.21 0.00 -0.02 0.00 0.00 57.16 53.24 1wmr n GLU 283 Cb 0.34 -2.12 0.03 0.00 -0.02 0.00 0.00 31.44 29.67 1wmr n GLU 283 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wmr n GLY 284 N -0.87 -0.45 2.39 0.62 0.00 -1.15 -2.53 105.19 103.19 1wmr n GLY 284 Ca 0.43 0.08 -0.20 0.00 0.00 0.00 0.00 46.02 46.33 1wmr n GLY 284 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wmr n TYR 285 N -4.46 -0.89 -3.31 1.61 4.01 0.19 -4.82 117.16 109.48 1wmr n TYR 285 Ca -0.11 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.42 1wmr n TYR 285 Cb 0.62 -3.79 0.00 0.00 -0.31 0.00 0.00 39.34 35.85 1wmr n TYR 285 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 1wmr s GLN 286 N -4.92 3.15 0.14 -0.72 2.00 -1.05 -4.39 119.66 113.87 1wmr s GLN 286 Ca 0.00 -0.74 -0.32 0.00 -2.00 0.00 0.00 55.36 52.30 1wmr s GLN 286 Cb 0.00 -2.71 -0.12 0.00 0.80 0.00 0.00 33.01 30.98 1wmr s GLN 286 CO 0.00 -0.03 1.76 1.17 -0.50 0.00 0.00 175.29 177.69 1wmr n LYS 287 N -1.81 2.65 -1.34 1.67 4.81 -1.26 -0.38 118.16 122.50 1wmr n LYS 287 Ca -0.01 0.96 -0.41 0.00 -0.87 0.00 0.00 58.31 57.98 1wmr n LYS 287 Cb 0.58 -2.82 0.00 0.00 0.02 0.00 0.00 35.03 32.81 1wmr n LYS 287 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wmr n ALA 288 N 4.82 -2.52 -0.08 3.14 0.00 -0.41 -4.84 120.51 120.61 1wmr n ALA 288 Ca 0.17 0.10 -0.05 0.00 0.00 0.00 0.00 53.44 53.67 1wmr n ALA 288 Cb 0.35 -1.56 0.15 0.00 0.00 0.00 0.00 19.45 18.38 1wmr n ALA 288 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1wmr h SER 289 N 0.40 0.73 -0.00 0.00 0.02 -1.92 -3.41 113.55 109.36 1wmr h SER 289 Ca -0.39 -0.20 -0.23 0.00 -0.84 0.00 0.00 61.79 60.13 1wmr h SER 289 Cb 1.43 -0.19 -0.14 0.00 0.14 0.00 0.00 62.40 63.63 1wmr h SER 289 CO 0.48 0.85 -0.47 0.61 -1.14 0.00 0.00 176.83 177.15 1wmr n GLY 290 N -0.51 0.23 4.13 -3.77 0.00 -1.26 -5.02 105.19 99.00 1wmr n GLY 290 Ca 0.01 0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1wmr n GLY 290 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wmr n ALA 291 N 1.18 -2.34 1.72 4.61 0.00 -1.26 -4.82 120.51 119.59 1wmr n ALA 291 Ca 0.08 -0.48 0.07 0.00 0.00 0.00 0.00 53.44 53.11 1wmr n ALA 291 Cb 0.66 -1.96 0.34 0.00 0.00 0.00 0.00 19.45 18.48 1wmr n ALA 291 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1wmr n ASN 292 N -2.53 0.55 -2.00 0.00 0.23 -1.26 -4.87 115.26 105.38 1wmr n ASN 292 Ca -0.21 -1.68 -0.18 0.00 -0.53 0.00 0.00 54.58 51.99 1wmr n ASN 292 Cb 0.62 -0.05 -0.01 0.00 -2.08 0.00 0.00 39.78 38.27 1wmr n ASN 292 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1wmr n ASN 293 N -0.34 -5.15 -0.87 0.53 5.15 -1.26 -4.87 115.26 108.44 1wmr n ASN 293 Ca 0.11 -0.01 0.06 0.00 -0.60 0.00 0.00 54.58 54.14 1wmr n ASN 293 Cb 0.13 -4.23 0.23 0.00 -0.53 0.00 0.00 39.78 35.38 1wmr n ASN 293 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1wmr n ASN 294 N -1.36 3.44 -4.74 1.20 3.02 -1.26 -5.00 115.26 110.56 1wmr n ASN 294 Ca -0.21 -3.19 -0.42 0.00 -0.03 0.00 0.00 54.58 50.74 1wmr n ASN 294 Cb 0.66 -0.55 -0.02 0.00 -0.61 0.00 0.00 39.78 39.25 1wmr n ASN 294 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1wmr s GLY 295 N -2.16 1.96 0.00 7.41 0.00 -1.26 -4.43 107.32 108.85 1wmr s GLY 295 Ca 0.42 1.46 -0.35 0.00 0.00 0.00 0.00 44.72 46.24 1wmr s GLY 295 CO 0.06 2.52 1.67 -0.10 0.00 0.00 0.00 173.10 177.26 1wmr n LEU 296 N 2.80 2.90 -4.87 0.66 7.94 0.65 -4.72 117.00 122.37 1wmr n LEU 296 Ca 0.10 1.05 -0.31 0.00 -1.11 0.00 0.00 56.01 55.73 1wmr n LEU 296 Cb 0.38 -1.33 -0.05 0.00 0.53 0.00 0.00 43.42 42.95 1wmr n LEU 296 CO 0.62 -0.34 0.32 -0.13 -1.11 0.00 0.00 177.39 176.75 1wmr s ARG 297 N 2.30 3.85 0.19 1.96 3.00 -1.26 -4.00 118.95 124.98 1wmr s ARG 297 Ca 0.87 0.42 0.09 0.00 0.00 0.00 0.00 55.73 57.11 1wmr s ARG 297 Cb -0.78 -2.53 0.01 0.00 0.00 0.00 0.00 34.95 31.65 1wmr s ARG 297 CO 0.48 0.19 1.40 0.52 0.00 0.00 0.00 175.30 177.89 1wmr h MET 298 N 2.14 0.00 -4.17 3.54 2.86 -1.04 -3.40 114.93 114.86 1wmr h MET 298 Ca -0.47 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 56.61 1wmr h MET 298 Cb 1.18 0.00 -0.38 0.00 0.06 0.00 0.00 31.60 32.46 1wmr h MET 298 CO 0.67 0.82 -0.79 -1.58 1.06 0.00 0.00 176.91 177.08 1wmr s TRP 299 N -3.01 1.73 0.01 -0.22 0.52 -0.10 -1.53 118.94 116.35 1wmr s TRP 299 Ca 0.01 -1.12 0.02 0.00 0.02 0.00 0.00 56.10 55.03 1wmr s TRP 299 Cb 0.10 -1.33 -0.01 0.00 -1.15 0.00 0.00 33.47 31.09 1wmr s TRP 299 CO 0.79 -0.62 -0.06 0.50 0.02 0.00 0.00 176.95 177.57 1wmr s ARG 300 N 1.62 0.49 0.11 4.98 6.06 -0.68 -1.83 118.95 129.70 1wmr s ARG 300 Ca 0.00 -0.33 0.00 0.00 -2.50 0.00 0.00 55.73 52.91 1wmr s ARG 300 Cb -0.15 -0.43 -0.00 0.00 0.06 0.00 0.00 34.95 34.43 1wmr s ARG 300 CO -0.08 0.11 0.13 0.41 -2.50 0.00 0.00 175.30 173.38 1wmr n GLY 301 N 2.62 3.09 3.58 8.12 0.00 -1.22 -1.52 105.19 119.84 1wmr n GLY 301 Ca -0.15 -1.54 -0.12 0.00 0.00 0.00 0.00 46.02 44.22 1wmr n GLY 301 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wmr s THR 302 N -2.51 -0.00 0.09 2.61 -1.32 -1.26 -1.04 115.64 112.21 1wmr s THR 302 Ca 0.10 0.01 0.08 0.00 -1.21 0.00 0.00 61.69 60.66 1wmr s THR 302 Cb -0.00 -0.93 -0.03 0.00 -1.51 0.00 0.00 72.50 70.02 1wmr s THR 302 CO 0.07 0.00 -0.21 -1.48 -2.21 0.00 0.00 174.62 170.80 1wmr s LEU 303 N 0.82 2.27 0.00 9.08 2.34 -1.19 -4.35 118.68 127.66 1wmr s LEU 303 Ca -0.04 -0.65 0.00 0.00 0.06 0.00 0.00 54.13 53.50 1wmr s LEU 303 Cb -0.05 -0.88 0.00 0.00 -0.56 0.00 0.00 46.19 44.70 1wmr s LEU 303 CO -0.06 0.07 0.00 0.61 -1.06 0.00 0.00 176.35 175.91 1wmr n GLY 304 N 1.24 0.69 0.01 -3.48 0.00 -1.26 -4.74 105.19 97.64 1wmr n GLY 304 Ca -0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.92 1wmr n GLY 304 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wmr n ASN 305 N 0.00 0.83 -4.89 1.61 3.02 -1.26 -4.78 115.26 109.80 1wmr n ASN 305 Ca 0.00 -0.33 -0.33 0.00 -0.03 0.00 0.00 54.58 53.89 1wmr n ASN 305 Cb 0.00 1.53 -0.05 0.00 -0.61 0.00 0.00 39.78 40.65 1wmr n ASN 305 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1wmr s SER 306 N -3.59 6.53 0.63 6.41 0.15 -1.26 -5.08 113.70 117.49 1wmr s SER 306 Ca -0.02 0.63 -0.16 0.00 0.70 0.00 0.00 55.95 57.11 1wmr s SER 306 Cb 0.12 -2.11 -0.02 0.00 -1.71 0.00 0.00 66.02 62.30 1wmr s SER 306 CO 0.75 0.13 1.10 -0.94 1.20 0.00 0.00 173.24 175.48 1wmr s SER 307 N -2.09 5.34 -0.03 5.45 1.04 -1.26 -4.94 113.70 117.20 1wmr s SER 307 Ca 0.36 1.98 -0.03 0.00 0.48 0.00 0.00 55.95 58.74 1wmr s SER 307 Cb -0.13 -2.55 0.01 0.00 0.10 0.00 0.00 66.02 63.45 1wmr s SER 307 CO 0.21 -1.48 0.09 -1.58 0.98 0.00 0.00 173.24 171.46 1wmr s GLN 308 N -3.98 0.10 -0.17 4.02 0.74 -0.28 -4.40 119.66 115.68 1wmr s GLN 308 Ca 0.67 0.13 -0.06 0.00 0.05 0.00 0.00 55.36 56.15 1wmr s GLN 308 Cb -0.20 0.04 -0.03 0.00 1.10 0.00 0.00 33.01 33.91 1wmr s GLN 308 CO 0.38 -0.02 0.01 0.99 -0.55 0.00 0.00 175.29 176.11 1wmr s THR 309 N 0.10 4.30 -0.30 -0.34 2.01 -0.07 -1.35 115.64 120.00 1wmr s THR 309 Ca -0.00 -0.21 -0.09 0.00 0.31 0.00 0.00 61.69 61.70 1wmr s THR 309 Cb -0.01 -2.92 -0.01 0.00 0.01 0.00 0.00 72.50 69.57 1wmr s THR 309 CO -0.00 0.47 0.14 0.12 -0.69 0.00 0.00 174.62 174.65 1wmr s PHE 310 N 0.46 3.16 -0.25 4.92 5.36 0.44 -1.96 117.98 130.12 1wmr s PHE 310 Ca -0.00 -0.52 -0.09 0.00 -0.96 0.00 0.00 56.93 55.36 1wmr s PHE 310 Cb -0.13 -2.33 -0.04 0.00 -0.34 0.00 0.00 43.02 40.18 1wmr s PHE 310 CO 0.02 -0.42 0.11 0.08 -1.46 0.00 0.00 175.22 173.55 1wmr s VAL 311 N 1.62 4.77 -0.16 3.12 1.01 -0.72 -1.09 120.40 128.95 1wmr s VAL 311 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1wmr s VAL 311 Cb -0.17 -3.24 0.03 0.00 0.00 0.00 0.00 36.38 33.00 1wmr s VAL 311 CO 0.06 0.33 -0.13 -0.22 0.00 0.00 0.00 175.10 175.13 1wmr s LEU 312 N 1.46 1.85 -0.01 3.92 2.96 -0.74 -0.77 118.68 127.35 1wmr s LEU 312 Ca 0.06 -0.60 0.00 0.00 -0.22 0.00 0.00 54.13 53.37 1wmr s LEU 312 Cb -0.15 -1.20 0.01 0.00 0.50 0.00 0.00 46.19 45.35 1wmr s LEU 312 CO 0.06 -0.08 0.01 0.21 -1.32 0.00 0.00 176.35 175.23 1wmr s ASN 313 N 1.46 0.05 0.00 3.68 2.47 -0.51 -1.67 114.94 120.42 1wmr s ASN 313 Ca 0.03 0.01 0.00 0.00 0.42 0.00 0.00 52.86 53.33 1wmr s ASN 313 Cb -0.14 -0.03 0.00 0.00 -1.45 0.00 0.00 41.25 39.63 1wmr s ASN 313 CO -0.10 -0.05 0.00 0.61 -3.72 0.00 0.00 177.10 173.84 1wmr n GLY 314 N 3.52 0.38 3.73 1.21 0.00 -0.51 -2.27 105.19 111.25 1wmr n GLY 314 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 1wmr n GLY 314 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wmr s VAL 315 N -0.12 2.27 -0.21 1.61 1.01 0.00 -4.24 120.40 120.72 1wmr s VAL 315 Ca 0.00 0.14 -0.00 0.00 0.00 0.00 0.00 61.98 62.12 1wmr s VAL 315 Cb 0.00 -2.84 0.02 0.00 0.00 0.00 0.00 36.38 33.56 1wmr s VAL 315 CO 0.00 -0.06 -0.14 -0.89 0.00 0.00 0.00 175.10 174.01 1wmr s THR 316 N -1.79 2.43 -0.16 3.92 2.01 -1.01 -1.78 115.64 119.26 1wmr s THR 316 Ca 0.77 -0.94 -0.08 0.00 0.31 0.00 0.00 61.69 61.74 1wmr s THR 316 Cb -0.31 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 1wmr s THR 316 CO 0.43 0.41 0.12 -0.69 -0.69 0.00 0.00 174.62 174.20 1wmr s VAL 317 N 1.31 5.34 0.06 3.82 1.01 0.13 -0.74 120.40 131.33 1wmr s VAL 317 Ca 0.03 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.22 1wmr s VAL 317 Cb -0.14 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 1wmr s VAL 317 CO -0.09 0.52 -0.15 -0.55 0.00 0.00 0.00 175.10 174.83 1wmr s SER 318 N -0.24 1.78 -1.12 3.32 0.15 -0.07 -0.64 113.70 116.88 1wmr s SER 318 Ca 0.11 -0.56 -0.23 0.00 0.70 0.00 0.00 55.95 55.97 1wmr s SER 318 Cb -0.12 -0.08 0.01 0.00 -1.71 0.00 0.00 66.02 64.12 1wmr s SER 318 CO 0.01 -0.01 0.75 0.00 1.20 0.00 0.00 173.24 175.18 1wmr n ALA 319 N 1.51 -2.59 -1.76 5.45 0.00 -0.79 -1.10 120.51 121.22 1wmr n ALA 319 Ca -0.20 -0.34 -0.40 0.00 0.00 0.00 0.00 53.44 52.51 1wmr n ALA 319 Cb 0.54 -3.33 -0.03 0.00 0.00 0.00 0.00 19.45 16.63 1wmr n ALA 319 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wmr s PRO 320 N -6.21 4.47 0.00 0.00 0.04 -1.26 -3.28 135.00 128.76 1wmr s PRO 320 Ca 0.43 1.88 0.30 0.00 0.04 0.00 0.00 61.00 63.65 1wmr s PRO 320 Cb -0.18 -3.05 1.45 0.00 0.04 0.00 0.00 34.50 32.75 1wmr s PRO 320 CO 0.89 0.03 1.98 -0.35 0.04 0.00 0.00 177.00 179.59 1wmr n PRO 321 N 0.87 0.87 0.00 0.56 -0.04 -1.26 -4.75 135.00 131.25 1wmr n PRO 321 Ca 0.00 -0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.24 1wmr n PRO 321 Cb 0.45 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 1wmr n PRO 321 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1wmr n PHE 322 N -0.87 0.00 -1.64 0.54 -0.00 -1.26 -1.24 117.46 112.99 1wmr n PHE 322 Ca 0.18 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 57.20 1wmr n PHE 322 Cb 0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 39.48 39.70 1wmr n PHE 322 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1wmr n ASN 323 N 0.00 2.01 0.00 -2.13 5.03 -0.79 -4.26 115.26 115.12 1wmr n ASN 323 Ca 0.00 1.18 -0.07 0.00 0.87 0.00 0.00 54.58 56.56 1wmr n ASN 323 Cb 0.00 -1.39 0.11 0.00 -1.02 0.00 0.00 39.78 37.48 1wmr n ASN 323 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 1wmr h SER 324 N 2.20 0.56 -4.87 6.41 4.64 -1.47 -3.34 113.55 117.69 1wmr h SER 324 Ca -0.43 -0.26 -0.10 0.00 -0.47 0.00 0.00 61.79 60.53 1wmr h SER 324 Cb 1.31 -0.16 -0.20 0.00 -0.31 0.00 0.00 62.40 63.04 1wmr h SER 324 CO 0.61 0.92 -0.11 -0.32 -0.87 0.00 0.00 176.83 177.05 1wmr s MET 325 N -4.20 0.78 -0.28 4.77 -2.45 -1.26 -0.71 119.30 115.94 1wmr s MET 325 Ca -0.07 0.04 -0.25 0.00 -1.25 0.00 0.00 55.69 54.16 1wmr s MET 325 Cb 0.12 0.36 0.13 0.00 1.25 0.00 0.00 34.83 36.69 1wmr s MET 325 CO 0.82 -0.22 1.08 -0.51 1.05 0.00 0.00 175.02 177.24 1wmr s ASP 326 N -1.11 -0.41 0.21 1.11 1.01 -0.76 -4.36 116.67 112.36 1wmr s ASP 326 Ca -0.11 0.79 0.06 0.00 0.71 0.00 0.00 52.55 53.99 1wmr s ASP 326 Cb -0.03 0.80 -0.04 0.00 1.01 0.00 0.00 42.92 44.66 1wmr s ASP 326 CO 0.06 -0.14 0.18 0.26 0.21 0.00 0.00 175.17 175.74 1wmr s TRP 327 N 0.20 3.16 0.11 4.23 0.23 -1.26 -3.46 118.94 122.14 1wmr s TRP 327 Ca 0.04 -0.06 0.02 0.00 -2.03 0.00 0.00 56.10 54.07 1wmr s TRP 327 Cb -0.05 -1.47 -0.04 0.00 0.03 0.00 0.00 33.47 31.94 1wmr s TRP 327 CO -0.07 0.52 0.21 -1.12 0.96 0.00 0.00 176.95 177.44 1wmr s SER 328 N -3.49 6.13 0.00 2.95 0.01 -0.21 -4.91 113.70 114.18 1wmr s SER 328 Ca 0.32 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.72 1wmr s SER 328 Cb -0.09 -1.81 0.00 0.00 0.21 0.00 0.00 66.02 64.33 1wmr s SER 328 CO 0.24 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.62 1wmr n GLY 329 N -0.08 3.43 0.01 3.44 0.00 -1.26 -3.17 105.19 107.55 1wmr n GLY 329 Ca -0.07 -1.75 0.10 0.00 0.00 0.00 0.00 46.02 44.30 1wmr n GLY 329 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wmr n ASN 330 N 0.00 0.59 -3.16 1.61 4.13 -1.26 -4.47 115.26 112.70 1wmr n ASN 330 Ca 0.00 -0.42 -0.37 0.00 1.68 0.00 0.00 54.58 55.47 1wmr n ASN 330 Cb 0.00 1.53 0.02 0.00 -1.54 0.00 0.00 39.78 39.79 1wmr n ASN 330 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1wmr n SER 331 N -1.89 6.76 0.29 6.41 7.64 -1.26 -4.79 113.62 126.78 1wmr n SER 331 Ca -0.00 -3.75 0.16 0.00 1.01 0.00 0.00 58.87 56.29 1wmr n SER 331 Cb 0.44 -0.97 0.86 0.00 -1.01 0.00 0.00 64.21 63.52 1wmr n SER 331 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1wmr h LEU 332 N 3.43 0.00 0.00 -3.43 5.85 -1.92 -1.91 115.31 117.33 1wmr h LEU 332 Ca 0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.19 1wmr h LEU 332 Cb 0.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1wmr h LEU 332 CO 1.19 0.06 0.00 -0.90 -0.34 0.00 0.00 178.44 178.45 1wmr n ASP 333 N -3.42 0.00 -0.55 1.25 3.85 -1.26 -2.54 116.55 113.88 1wmr n ASP 333 Ca -0.02 -0.59 0.13 0.00 -0.71 0.00 0.00 54.79 53.61 1wmr n ASP 333 Cb 0.20 -0.11 0.35 0.00 -1.35 0.00 0.00 41.12 40.21 1wmr n ASP 333 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1wmr n LEU 334 N -1.11 1.81 -4.91 -2.12 7.99 -0.72 -4.73 117.00 113.22 1wmr n LEU 334 Ca 0.18 -0.59 -0.31 0.00 -0.01 0.00 0.00 56.01 55.27 1wmr n LEU 334 Cb 0.14 -0.02 -0.04 0.00 -0.11 0.00 0.00 43.42 43.38 1wmr n LEU 334 CO 0.17 0.31 -0.09 -0.63 -1.51 0.00 0.00 177.39 175.65 1wmr s ILE 335 N -2.14 5.31 0.01 -0.08 1.01 -1.05 -1.13 121.20 123.13 1wmr s ILE 335 Ca 0.31 -0.25 -0.08 0.00 0.00 0.00 0.00 60.65 60.63 1wmr s ILE 335 Cb 0.20 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 39.05 1wmr s ILE 335 CO 0.38 0.10 0.16 0.28 0.00 0.00 0.00 174.94 175.86 1wmr s THR 336 N -1.56 0.09 0.17 2.92 -1.32 -0.45 -3.32 115.64 112.16 1wmr s THR 336 Ca 0.37 -0.71 0.11 0.00 -1.21 0.00 0.00 61.69 60.26 1wmr s THR 336 Cb -0.13 -0.51 -0.04 0.00 -1.51 0.00 0.00 72.50 70.31 1wmr s THR 336 CO 0.27 -0.39 -0.25 0.00 -2.21 0.00 0.00 174.62 172.04 1wmr s ARG 338 N -2.43 0.36 0.06 0.00 1.81 -0.25 -1.89 118.95 116.61 1wmr s ARG 338 Ca 0.18 -0.88 0.10 0.00 -1.72 0.00 0.00 55.73 53.40 1wmr s ARG 338 Cb -0.09 -1.20 -0.03 0.00 -0.45 0.00 0.00 34.95 33.19 1wmr s ARG 338 CO 0.08 -1.11 -0.26 0.54 -0.68 0.00 0.00 175.30 173.87 1wmr s VAL 339 N 1.63 2.17 0.07 3.52 0.11 -0.89 -1.79 120.40 125.22 1wmr s VAL 339 Ca 0.13 -1.45 -0.16 0.00 -2.93 0.00 0.00 61.98 57.58 1wmr s VAL 339 Cb -0.19 -1.86 0.03 0.00 -1.53 0.00 0.00 36.38 32.83 1wmr s VAL 339 CO -0.19 0.32 0.36 -1.81 -3.33 0.00 0.00 175.10 170.46 1wmr s ASP 340 N -1.37 -0.19 -1.54 3.54 1.01 -0.67 -1.83 116.67 115.62 1wmr s ASP 340 Ca 0.12 -0.21 -0.01 0.00 0.71 0.00 0.00 52.55 53.16 1wmr s ASP 340 Cb -0.10 0.42 0.00 0.00 1.01 0.00 0.00 42.92 44.25 1wmr s ASP 340 CO 0.03 -0.72 0.03 -0.67 0.21 0.00 0.00 175.17 174.04 1wmr n ASP 341 N 0.23 0.78 -4.44 0.27 2.03 -0.52 -1.62 116.55 113.28 1wmr n ASP 341 Ca -0.17 -1.28 -0.31 0.00 0.52 0.00 0.00 54.79 53.55 1wmr n ASP 341 Cb 0.61 -1.61 -0.13 0.00 -0.72 0.00 0.00 41.12 39.27 1wmr n ASP 341 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1wmr s TYR 342 N -4.36 2.55 0.04 -0.67 5.04 -1.12 -1.42 117.35 117.42 1wmr s TYR 342 Ca 0.02 -0.26 0.03 0.00 -2.44 0.00 0.00 57.07 54.41 1wmr s TYR 342 Cb -0.01 -1.50 -0.02 0.00 0.35 0.00 0.00 41.96 40.78 1wmr s TYR 342 CO 1.00 0.20 -0.09 0.15 -1.34 0.00 0.00 175.55 175.47 1wmr s LYS 343 N -1.19 0.58 -0.23 4.97 3.01 -0.73 -1.03 119.74 125.12 1wmr s LYS 343 Ca 0.13 -0.71 -0.01 0.00 -1.01 0.00 0.00 55.97 54.37 1wmr s LYS 343 Cb -0.10 -0.43 0.06 0.00 -1.01 0.00 0.00 37.83 36.35 1wmr s LYS 343 CO 0.03 0.09 -0.00 -1.14 0.51 0.00 0.00 175.35 174.84 1wmr s GLN 344 N -1.39 1.17 0.34 1.68 0.74 -0.16 0.17 119.66 122.21 1wmr s GLN 344 Ca -0.07 -0.81 0.09 0.00 0.05 0.00 0.00 55.36 54.63 1wmr s GLN 344 Cb -0.09 -2.37 -0.06 0.00 1.10 0.00 0.00 33.01 31.59 1wmr s GLN 344 CO 0.01 -0.66 -0.06 0.14 -0.55 0.00 0.00 175.29 174.16 1wmr s VAL 345 N 1.58 2.39 -1.61 1.34 -7.23 0.19 -0.88 120.40 116.18 1wmr s VAL 345 Ca -0.02 -2.13 -0.04 0.00 -1.81 0.00 0.00 61.98 57.98 1wmr s VAL 345 Cb -0.18 -2.68 0.00 0.00 0.56 0.00 0.00 36.38 34.08 1wmr s VAL 345 CO -0.09 -0.21 0.50 0.61 -0.31 0.00 0.00 175.10 175.60 1wmr n GLY 346 N -0.84 -0.52 2.81 2.32 0.00 -1.26 -1.89 105.19 105.80 1wmr n GLY 346 Ca -0.05 0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1wmr n GLY 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wmr n ALA 347 N -3.28 5.67 0.21 4.61 0.00 -1.26 -3.19 120.51 123.27 1wmr n ALA 347 Ca -0.14 -4.46 0.10 0.00 0.00 0.00 0.00 53.44 48.94 1wmr n ALA 347 Cb 0.63 -2.66 0.27 0.00 0.00 0.00 0.00 19.45 17.69 1wmr n ALA 347 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1wmr h PHE 348 N 5.25 0.00 -4.18 0.00 -1.00 -1.91 -3.32 116.94 111.78 1wmr h PHE 348 Ca 0.41 0.00 -0.50 0.00 2.81 0.00 0.00 57.97 60.69 1wmr h PHE 348 Cb 0.53 0.00 0.08 0.00 3.61 0.00 0.00 35.95 40.17 1wmr h PHE 348 CO 1.26 0.15 0.38 0.71 -1.61 0.00 0.00 178.31 179.20 1wmr s TYR 349 N -3.30 2.78 0.74 -0.55 2.02 -1.26 -4.07 117.35 113.70 1wmr s TYR 349 Ca 0.04 1.54 -0.11 0.00 -0.37 0.00 0.00 57.07 58.17 1wmr s TYR 349 Cb 0.07 -3.12 0.03 0.00 -0.40 0.00 0.00 41.96 38.55 1wmr s TYR 349 CO 0.66 -1.43 1.07 0.20 -1.57 0.00 0.00 175.55 174.48 1wmr s GLY 350 N -2.56 1.65 -1.49 0.71 0.00 -0.87 -3.81 107.32 100.95 1wmr s GLY 350 Ca 0.66 0.00 -0.03 0.00 0.00 0.00 0.00 44.72 45.36 1wmr s GLY 350 CO 0.38 0.36 0.41 -1.06 0.00 0.00 0.00 173.10 173.18 1wmr n GLN 351 N -3.28 -3.71 -1.90 2.90 6.02 -1.25 -4.80 117.38 111.36 1wmr n GLN 351 Ca 0.07 0.87 -0.36 0.00 -0.01 0.00 0.00 57.00 57.58 1wmr n GLN 351 Cb 0.54 -5.54 -0.01 0.00 1.02 0.00 0.00 30.24 26.25 1wmr n GLN 351 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1wmr n THR 352 N -4.31 4.50 -1.45 5.09 -2.24 -1.25 -1.88 114.28 112.75 1wmr n THR 352 Ca -0.14 -4.10 -0.38 0.00 -2.27 0.00 0.00 64.05 57.16 1wmr n THR 352 Cb 0.63 -1.72 0.04 0.00 -2.10 0.00 0.00 70.33 67.18 1wmr n THR 352 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1wmr n ASP 353 N 0.88 -0.98 -3.92 3.42 10.43 -1.26 -4.19 116.55 120.93 1wmr n ASP 353 Ca 0.54 0.72 -0.25 0.00 2.57 0.00 0.00 54.79 58.37 1wmr n ASP 353 Cb 0.35 -1.19 0.16 0.00 1.84 0.00 0.00 41.12 42.29 1wmr n ASP 353 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1wmr n GLY 354 N 1.74 -0.80 3.59 0.44 0.00 -0.80 -1.39 105.19 107.98 1wmr n GLY 354 Ca 0.11 -1.81 -0.33 0.00 0.00 0.00 0.00 46.02 44.00 1wmr n GLY 354 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wmr n LEU 355 N 0.00 2.67 -4.82 0.99 4.77 -1.26 -4.46 117.00 114.90 1wmr n LEU 355 Ca 0.15 0.50 -0.38 0.00 -0.03 0.00 0.00 56.01 56.25 1wmr n LEU 355 Cb 0.53 -1.40 -0.06 0.00 -2.33 0.00 0.00 43.42 40.17 1wmr n LEU 355 CO 0.38 -2.42 0.27 -1.61 -1.33 0.00 0.00 177.39 172.68 1wmr s GLU 356 N -3.92 4.16 -0.45 3.23 0.41 -1.26 -4.48 118.70 116.39 1wmr s GLU 356 Ca 0.67 0.70 0.04 0.00 -0.41 0.00 0.00 54.97 55.97 1wmr s GLU 356 Cb -0.27 -3.17 0.12 0.00 -1.78 0.00 0.00 34.13 29.03 1wmr s GLU 356 CO 0.57 0.60 0.18 -1.64 -0.49 0.00 0.00 175.26 174.48 1wmr s MET 357 N -1.30 1.73 1.01 1.61 -1.94 -1.26 -4.96 119.30 114.19 1wmr s MET 357 Ca 0.31 -2.29 -0.12 0.00 -1.71 0.00 0.00 55.69 51.88 1wmr s MET 357 Cb -0.19 -3.18 0.20 0.00 2.01 0.00 0.00 34.83 33.67 1wmr s MET 357 CO 0.19 -1.05 1.09 0.71 -0.01 0.00 0.00 175.02 175.95 1wmr s TYR 358 N 0.20 2.06 0.06 -0.03 2.02 -1.26 -4.38 117.35 116.03 1wmr s TYR 358 Ca 0.15 0.99 -0.37 0.00 -0.37 0.00 0.00 57.07 57.47 1wmr s TYR 358 Cb -0.23 -3.26 -0.18 0.00 -0.40 0.00 0.00 41.96 37.89 1wmr s TYR 358 CO -0.03 -2.96 1.18 -2.30 -1.57 0.00 0.00 175.55 169.87 1wmr n PRO 359 N -4.22 0.64 -0.91 -1.71 -0.02 -1.21 -1.72 135.00 125.85 1wmr n PRO 359 Ca 0.05 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1wmr n PRO 359 Cb 0.57 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 1wmr n PRO 359 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wmr n GLY 360 N 2.04 0.85 3.71 -1.23 0.00 -1.05 -4.22 105.19 105.28 1wmr n GLY 360 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1wmr n GLY 360 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1wmr n THR 361 N -2.23 3.51 -3.72 2.61 -1.04 -0.70 -4.74 114.28 107.97 1wmr n THR 361 Ca 0.00 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.05 61.24 1wmr n THR 361 Cb 0.00 -1.54 -0.17 0.00 -1.82 0.00 0.00 70.33 66.81 1wmr n THR 361 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1wmr s ILE 362 N -1.31 0.43 -0.08 12.58 1.01 -0.79 -0.72 121.20 132.33 1wmr s ILE 362 Ca 0.70 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.92 1wmr s ILE 362 Cb -0.44 -0.94 0.00 0.00 0.01 0.00 0.00 42.46 41.09 1wmr s ILE 362 CO 0.51 -0.20 -0.20 -0.22 0.00 0.00 0.00 174.94 174.84 1wmr s LEU 363 N 1.90 1.93 -0.04 2.97 0.20 0.20 -2.09 118.68 123.75 1wmr s LEU 363 Ca -0.00 -0.45 -0.14 0.00 0.69 0.00 0.00 54.13 54.23 1wmr s LEU 363 Cb -0.17 -1.17 0.02 0.00 -0.43 0.00 0.00 46.19 44.45 1wmr s LEU 363 CO -0.08 0.13 0.30 0.00 -0.29 0.00 0.00 176.35 176.41 1wmr s GLN 364 N 0.35 0.60 -0.95 1.98 -2.07 -0.76 -0.78 119.66 118.03 1wmr s GLN 364 Ca -0.14 -0.07 -0.06 0.00 -1.82 0.00 0.00 55.36 53.27 1wmr s GLN 364 Cb -0.16 0.27 -0.03 0.00 -1.09 0.00 0.00 33.01 32.00 1wmr s GLN 364 CO 0.06 -0.15 0.80 -0.25 -1.32 0.00 0.00 175.29 174.43 1wmr n ASP 365 N 1.62 -6.69 -4.32 12.60 8.00 -0.67 -2.48 116.55 124.61 1wmr n ASP 365 Ca -0.20 -0.57 -0.27 0.00 0.71 0.00 0.00 54.79 54.46 1wmr n ASP 365 Cb 0.56 -4.69 -0.14 0.00 -0.02 0.00 0.00 41.12 36.84 1wmr n ASP 365 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1wmr s VAL 366 N -3.25 1.96 -0.16 2.53 1.01 -0.97 -1.44 120.40 120.09 1wmr s VAL 366 Ca 0.28 -1.47 0.01 0.00 0.00 0.00 0.00 61.98 60.80 1wmr s VAL 366 Cb -0.06 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.61 1wmr s VAL 366 CO 0.78 0.16 -0.19 0.12 0.00 0.00 0.00 175.10 175.97 1wmr s PHE 367 N -0.94 2.73 -0.15 5.22 2.19 -0.20 -1.33 117.98 125.51 1wmr s PHE 367 Ca 0.10 -1.31 0.02 0.00 0.33 0.00 0.00 56.93 56.07 1wmr s PHE 367 Cb -0.10 -1.87 0.01 0.00 -1.31 0.00 0.00 43.02 39.76 1wmr s PHE 367 CO 0.03 -0.61 -0.20 0.71 1.83 0.00 0.00 175.22 176.98 1wmr s TYR 368 N 0.94 2.60 -0.25 10.12 2.02 -0.10 -0.99 117.35 131.69 1wmr s TYR 368 Ca -0.04 -1.38 -0.05 0.00 -0.37 0.00 0.00 57.07 55.24 1wmr s TYR 368 Cb -0.15 -1.79 -0.00 0.00 -0.40 0.00 0.00 41.96 39.62 1wmr s TYR 368 CO -0.04 -0.66 -0.00 -1.58 -1.57 0.00 0.00 175.55 171.70 1wmr s HIS 369 N 1.01 3.04 -0.13 2.71 5.65 -0.06 -0.13 115.29 127.37 1wmr s HIS 369 Ca -0.03 -0.98 -0.12 0.00 0.25 0.00 0.00 55.06 54.18 1wmr s HIS 369 Cb -0.15 -2.15 0.04 0.00 -1.18 0.00 0.00 32.58 29.14 1wmr s HIS 369 CO -0.06 -0.56 0.35 -0.08 -0.65 0.00 0.00 174.74 173.74 1wmr s THR 370 N 1.48 -0.00 -0.30 0.89 -1.32 -1.13 -4.44 115.64 110.81 1wmr s THR 370 Ca 0.04 0.01 0.11 0.00 -1.21 0.00 0.00 61.69 60.64 1wmr s THR 370 Cb -0.15 -0.49 0.76 0.00 -1.51 0.00 0.00 72.50 71.10 1wmr s THR 370 CO -0.01 0.00 1.78 -0.67 -2.21 0.00 0.00 174.62 173.52 1wmr n ASP 371 N 3.00 5.00 -0.55 8.08 4.64 -1.25 -1.23 116.55 134.24 1wmr n ASP 371 Ca -0.14 -3.17 0.00 0.00 -1.38 0.00 0.00 54.79 50.11 1wmr n ASP 371 Cb 0.57 -0.73 0.00 0.00 -1.04 0.00 0.00 41.12 39.93 1wmr n ASP 371 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 1wmr n ASP 372 N -0.01 0.00 -3.88 1.67 -0.08 -1.21 -3.86 116.55 109.18 1wmr n ASP 372 Ca 0.37 -0.55 -0.55 0.00 -1.51 0.00 0.00 54.79 52.55 1wmr n ASP 372 Cb 1.33 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 44.70 1wmr n ASP 372 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1wmr n ASP 373 N -0.51 0.84 0.00 1.67 10.43 -1.26 -4.74 116.55 122.98 1wmr n ASP 373 Ca 0.00 0.80 0.00 0.00 2.57 0.00 0.00 54.79 58.16 1wmr n ASP 373 Cb 0.00 -0.77 0.00 0.00 1.84 0.00 0.00 41.12 42.19 1wmr n ASP 373 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1wmr n GLY 374 N 5.01 1.28 3.43 0.44 0.00 -1.21 -1.91 105.19 112.24 1wmr n GLY 374 Ca 0.37 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.96 1wmr n GLY 374 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wmr s LEU 375 N -1.40 4.95 -0.73 0.99 1.43 0.39 -3.89 118.68 120.41 1wmr s LEU 375 Ca 0.00 -1.05 -0.25 0.00 -1.03 0.00 0.00 54.13 51.81 1wmr s LEU 375 Cb 0.00 -2.43 0.05 0.00 0.03 0.00 0.00 46.19 43.84 1wmr s LEU 375 CO 0.00 -1.08 1.16 -0.54 0.23 0.00 0.00 176.35 176.12 1wmr s LYS 376 N 2.97 3.20 -1.28 1.70 1.02 -1.26 -1.57 119.74 124.53 1wmr s LYS 376 Ca 0.16 -0.61 -0.12 0.00 0.02 0.00 0.00 55.97 55.42 1wmr s LYS 376 Cb -0.20 -4.31 0.14 0.00 -0.52 0.00 0.00 37.83 32.94 1wmr s LYS 376 CO 0.10 -2.00 1.76 -0.12 -0.92 0.00 0.00 175.35 174.17 1wmr n MET 377 N 8.55 3.41 0.00 1.68 1.56 -0.14 -4.46 117.12 127.71 1wmr n MET 377 Ca 0.03 -3.50 0.05 0.00 -0.27 0.00 0.00 57.70 54.01 1wmr n MET 377 Cb 0.48 -3.06 0.01 0.00 2.15 0.00 0.00 33.22 32.79 1wmr n MET 377 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 1wmr n TYR 378 N 5.16 0.00 -4.10 1.12 4.01 -1.26 -4.60 117.16 117.48 1wmr n TYR 378 Ca 0.41 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 58.03 1wmr n TYR 378 Cb 0.40 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.32 1wmr n TYR 378 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1wmr s TYR 379 N -1.28 0.76 0.57 -0.72 2.02 -1.26 -4.93 117.35 112.51 1wmr s TYR 379 Ca 0.10 -0.67 -0.12 0.00 -0.37 0.00 0.00 57.07 56.01 1wmr s TYR 379 Cb 0.09 -0.45 -0.05 0.00 -0.40 0.00 0.00 41.96 41.14 1wmr s TYR 379 CO 0.23 -0.11 0.99 -1.12 -1.57 0.00 0.00 175.55 173.97 1wmr s SER 380 N -2.16 6.37 -1.34 2.29 0.01 -1.26 -4.30 113.70 113.30 1wmr s SER 380 Ca -0.01 1.43 -0.08 0.00 1.31 0.00 0.00 55.95 58.59 1wmr s SER 380 Cb -0.04 -2.46 0.01 0.00 0.21 0.00 0.00 66.02 63.74 1wmr s SER 380 CO -0.02 -0.75 1.15 0.59 0.41 0.00 0.00 173.24 174.63 1wmr n ASN 381 N -2.30 -5.61 -4.74 2.44 3.02 0.10 -2.64 115.26 105.53 1wmr n ASN 381 Ca 0.06 -0.56 -0.36 0.00 -0.03 0.00 0.00 54.58 53.69 1wmr n ASN 381 Cb 0.54 -5.00 -0.08 0.00 -0.61 0.00 0.00 39.78 34.63 1wmr n ASN 381 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1wmr s VAL 382 N -3.33 4.92 -0.17 2.41 1.01 -1.02 -2.54 120.40 121.69 1wmr s VAL 382 Ca 0.50 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.48 1wmr s VAL 382 Cb -0.22 -3.15 0.03 0.00 0.00 0.00 0.00 36.38 33.04 1wmr s VAL 382 CO 0.73 0.56 -0.13 -0.89 0.00 0.00 0.00 175.10 175.38 1wmr s THR 383 N -0.54 1.62 -0.09 3.92 2.01 0.11 -1.10 115.64 121.56 1wmr s THR 383 Ca 0.11 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.34 1wmr s THR 383 Cb -0.12 -1.58 0.02 0.00 0.01 0.00 0.00 72.50 70.83 1wmr s THR 383 CO 0.02 0.36 -0.11 0.00 -0.69 0.00 0.00 174.62 174.20 1wmr s ALA 384 N 1.45 1.31 0.10 7.40 0.00 0.22 -0.63 121.76 131.61 1wmr s ALA 384 Ca 0.03 -0.48 -0.08 0.00 0.00 0.00 0.00 51.96 51.42 1wmr s ALA 384 Cb -0.14 -0.70 -0.00 0.00 0.00 0.00 0.00 23.12 22.27 1wmr s ALA 384 CO -0.10 -0.08 0.19 -0.98 0.00 0.00 0.00 175.76 174.79 1wmr s ARG 385 N 1.04 0.89 -0.96 0.00 1.70 0.04 -0.43 118.95 121.23 1wmr s ARG 385 Ca -0.07 -1.01 -0.09 0.00 -0.47 0.00 0.00 55.73 54.09 1wmr s ARG 385 Cb -0.15 0.34 -0.02 0.00 -0.57 0.00 0.00 34.95 34.55 1wmr s ARG 385 CO -0.01 -0.29 0.78 0.09 -1.08 0.00 0.00 175.30 174.79 1wmr n ASN 386 N -0.08 -6.35 -4.35 -2.89 5.03 -0.77 -1.96 115.26 103.89 1wmr n ASN 386 Ca -0.14 -0.66 -0.31 0.00 0.87 0.00 0.00 54.58 54.35 1wmr n ASN 386 Cb 0.62 -4.21 -0.15 0.00 -1.02 0.00 0.00 39.78 35.03 1wmr n ASN 386 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1wmr s ILE 387 N -3.25 2.30 -0.19 2.41 1.01 -0.70 -1.67 121.20 121.11 1wmr s ILE 387 Ca 0.28 -1.05 -0.00 0.00 0.00 0.00 0.00 60.65 59.87 1wmr s ILE 387 Cb -0.07 -1.83 0.01 0.00 0.01 0.00 0.00 42.46 40.58 1wmr s ILE 387 CO 0.80 0.56 -0.15 -0.69 0.00 0.00 0.00 174.94 175.46 1wmr s VAL 388 N -0.66 2.45 -0.11 2.92 1.01 -0.44 -0.57 120.40 125.00 1wmr s VAL 388 Ca 0.11 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.31 1wmr s VAL 388 Cb -0.10 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.22 1wmr s VAL 388 CO -0.00 0.50 -0.23 -0.32 0.00 0.00 0.00 175.10 175.06 1wmr s MET 389 N 1.35 2.97 -1.00 2.72 0.00 -0.75 -0.92 119.30 123.66 1wmr s MET 389 Ca 0.05 -0.84 -0.05 0.00 0.00 0.00 0.00 55.69 54.85 1wmr s MET 389 Cb -0.13 -2.30 0.25 0.00 0.00 0.00 0.00 34.83 32.65 1wmr s MET 389 CO -0.10 0.10 0.96 1.87 0.00 0.00 0.00 175.02 177.85 1wmr n TRP 390 N 3.73 4.62 -2.04 4.11 -0.00 0.81 -1.22 117.44 127.46 1wmr n TRP 390 Ca -0.19 -3.99 -0.41 0.00 -0.00 0.00 0.00 57.50 52.91 1wmr n TRP 390 Cb 0.52 -1.38 -0.02 0.00 -0.00 0.00 0.00 31.31 30.43 1wmr n TRP 390 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 1wmr s LYS 391 N -1.42 4.29 0.00 5.87 2.47 -1.05 -2.84 119.74 127.07 1wmr s LYS 391 Ca 0.29 2.29 0.00 0.00 -1.56 0.00 0.00 55.97 57.00 1wmr s LYS 391 Cb -0.08 -3.07 0.00 0.00 -1.46 0.00 0.00 37.83 33.23 1wmr s LYS 391 CO -0.10 -0.30 0.00 0.39 0.16 0.00 0.00 175.35 175.50 1wmr n GLU 392 N 1.15 0.00 0.00 4.03 1.02 -0.36 -3.72 120.64 122.77 1wmr n GLU 392 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1wmr n GLU 392 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.83 1wmr n GLU 392 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1wmr n SER 393 N 0.00 0.27 -4.15 1.62 7.64 -1.26 -0.64 113.62 117.09 1wmr n SER 393 Ca 0.00 -0.60 -0.15 0.00 1.01 0.00 0.00 58.87 59.12 1wmr n SER 393 Cb 0.00 0.37 -0.11 0.00 -1.01 0.00 0.00 64.21 63.46 1wmr n SER 393 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1wmr s VAL 394 N -0.37 0.92 0.32 0.44 1.01 -1.25 -4.34 120.40 117.13 1wmr s VAL 394 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 61.98 60.55 1wmr s VAL 394 Cb 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.25 1wmr s VAL 394 CO 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 175.10 174.68 1wmr n ALA 395 N 0.96 -2.03 -1.96 5.51 0.00 0.93 -3.33 120.51 120.58 1wmr n ALA 395 Ca -0.19 0.48 -0.29 0.00 0.00 0.00 0.00 53.44 53.44 1wmr n ALA 395 Cb 0.56 -0.84 0.04 0.00 0.00 0.00 0.00 19.45 19.21 1wmr n ALA 395 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wmr s PRO 396 N -3.48 2.89 0.10 0.00 0.04 -0.96 -4.56 135.00 129.04 1wmr s PRO 396 Ca 0.00 0.28 -0.17 0.00 0.04 0.00 0.00 61.00 61.15 1wmr s PRO 396 Cb 0.00 -2.12 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 1wmr s PRO 396 CO 0.00 -0.89 1.56 0.28 0.04 0.00 0.00 177.00 177.99 1wmr h VAL 397 N -0.46 1.24 -3.21 -0.36 2.07 -1.14 -3.19 116.25 111.21 1wmr h VAL 397 Ca -0.45 -0.85 -0.67 0.00 0.82 0.00 0.00 66.70 65.55 1wmr h VAL 397 Cb 1.25 1.21 -0.32 0.00 -1.52 0.00 0.00 31.29 31.91 1wmr h VAL 397 CO 0.63 0.28 -0.83 -0.69 0.02 0.00 0.00 177.57 176.98 1wmr s VAL 398 N -5.11 2.43 0.07 2.57 1.01 0.75 -0.46 120.40 121.66 1wmr s VAL 398 Ca -0.13 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.09 1wmr s VAL 398 Cb 0.08 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 1wmr s VAL 398 CO 0.75 0.52 -0.16 -0.70 0.00 0.00 0.00 175.10 175.51 1wmr s GLU 399 N 1.05 2.02 -0.17 2.72 2.56 -0.61 0.19 118.70 126.45 1wmr s GLU 399 Ca -0.01 -1.03 0.07 0.00 0.00 0.00 0.00 54.97 53.99 1wmr s GLU 399 Cb -0.14 -2.20 0.21 0.00 2.00 0.00 0.00 34.13 34.00 1wmr s GLU 399 CO -0.05 0.52 1.06 1.97 -0.56 0.00 0.00 175.26 178.20 1wmr n PHE 400 N 1.22 -1.06 -2.72 5.30 -1.74 -0.96 -0.97 117.46 116.53 1wmr n PHE 400 Ca -0.16 -0.93 -0.10 0.00 -0.56 0.00 0.00 57.45 55.71 1wmr n PHE 400 Cb 0.52 1.04 0.04 0.00 1.52 0.00 0.00 39.48 42.61 1wmr n PHE 400 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1wmr n GLY 401 N -0.79 1.67 0.04 4.97 0.00 -1.26 -4.83 105.19 104.99 1wmr n GLY 401 Ca -0.12 -1.11 -0.02 0.00 0.00 0.00 0.00 46.02 44.76 1wmr n GLY 401 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1wmr n TRP 402 N -0.10 0.00 -3.75 1.61 7.02 -1.26 -3.02 117.44 117.94 1wmr n TRP 402 Ca 0.09 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.44 1wmr n TRP 402 Cb 0.81 -0.50 -0.12 0.00 -2.42 0.00 0.00 31.31 29.07 1wmr n TRP 402 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1wmr s THR 403 N -2.49 -0.02 0.35 -0.99 2.01 -1.26 -1.79 115.64 111.45 1wmr s THR 403 Ca -0.06 0.07 -0.29 0.00 0.31 0.00 0.00 61.69 61.73 1wmr s THR 403 Cb 0.05 -0.38 -0.11 0.00 0.01 0.00 0.00 72.50 72.07 1wmr s THR 403 CO 0.51 0.03 1.50 -2.16 -0.69 0.00 0.00 174.62 173.81 1wmr s PRO 404 N 0.72 4.13 0.24 4.92 0.04 -1.26 -4.99 135.00 138.80 1wmr s PRO 404 Ca -0.05 2.55 -0.16 0.00 0.04 0.00 0.00 61.00 63.39 1wmr s PRO 404 Cb -0.06 -2.99 0.01 0.00 0.04 0.00 0.00 34.50 31.50 1wmr s PRO 404 CO -0.04 -0.54 0.54 -0.98 0.04 0.00 0.00 177.00 176.02 1wmr s ARG 405 N -1.72 1.55 -0.35 4.56 1.70 -1.26 -5.07 118.95 118.36 1wmr s ARG 405 Ca 0.55 -1.09 -0.12 0.00 -0.47 0.00 0.00 55.73 54.60 1wmr s ARG 405 Cb -0.46 0.51 0.00 0.00 -0.57 0.00 0.00 34.95 34.43 1wmr s ARG 405 CO 0.59 -0.66 0.22 -0.80 -1.08 0.00 0.00 175.30 173.57 1wmr s ASN 406 N -2.96 5.84 -0.01 -2.89 0.02 -1.26 -3.74 114.94 109.93 1wmr s ASN 406 Ca 0.16 -0.68 0.01 0.00 -1.02 0.00 0.00 52.86 51.33 1wmr s ASN 406 Cb -0.02 -2.07 0.00 0.00 0.02 0.00 0.00 41.25 39.18 1wmr s ASN 406 CO 0.05 -0.30 -0.05 -0.89 0.02 0.00 0.00 177.10 175.94 1wmr s THR 407 N 1.64 0.41 0.04 1.60 2.01 -1.02 -4.77 115.64 115.56 1wmr s THR 407 Ca 0.04 -0.18 -0.18 0.00 0.31 0.00 0.00 61.69 61.68 1wmr s THR 407 Cb -0.18 -0.38 0.04 0.00 0.01 0.00 0.00 72.50 71.99 1wmr s THR 407 CO 0.08 0.14 0.42 -1.83 -0.69 0.00 0.00 174.62 172.74 1wmr s GLU 408 N 0.15 0.93 -0.61 4.92 -1.05 -1.26 -1.01 118.70 120.77 1wmr s GLU 408 Ca -0.01 -0.36 -0.03 0.00 -0.15 0.00 0.00 54.97 54.42 1wmr s GLU 408 Cb -0.05 0.42 -0.03 0.00 -0.44 0.00 0.00 34.13 34.02 1wmr s GLU 408 CO -0.00 -0.32 0.55 0.09 0.95 0.00 0.00 175.26 176.52 1wmr n ASN 409 N 0.49 -5.25 -4.29 0.83 5.03 -1.03 -0.72 115.26 110.33 1wmr n ASN 409 Ca -0.18 -0.32 -0.30 0.00 0.87 0.00 0.00 54.58 54.64 1wmr n ASN 409 Cb 0.60 -3.62 -0.16 0.00 -1.02 0.00 0.00 39.78 35.58 1wmr n ASN 409 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1wmr s VAL 410 N -3.17 1.97 -0.07 2.41 1.01 -0.84 -1.89 120.40 119.83 1wmr s VAL 410 Ca 0.20 -1.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 1wmr s VAL 410 Cb -0.03 -1.64 0.03 0.00 0.00 0.00 0.00 36.38 34.74 1wmr s VAL 410 CO 0.48 0.56 -0.01 -0.22 0.00 0.00 0.00 175.10 175.90 1wmr s LEU 411 N -0.57 0.78 -0.30 3.92 2.96 -0.26 -0.84 118.68 124.37 1wmr s LEU 411 Ca 0.09 -0.11 0.03 0.00 -0.22 0.00 0.00 54.13 53.93 1wmr s LEU 411 Cb -0.10 -0.47 0.08 0.00 0.50 0.00 0.00 46.19 46.20 1wmr s LEU 411 CO -0.01 -0.16 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.47 1wmr s PHE 412 N 1.75 3.50 0.05 5.38 0.08 -0.08 -0.61 117.98 128.05 1wmr s PHE 412 Ca 0.02 -2.65 0.09 0.00 0.12 0.00 0.00 56.93 54.52 1wmr s PHE 412 Cb -0.13 -2.40 -0.03 0.00 -0.57 0.00 0.00 43.02 39.90 1wmr s PHE 412 CO -0.05 -0.91 -0.26 0.34 -0.10 0.00 0.00 175.22 174.24 1wmr s ASP 413 N 1.01 3.14 -0.78 1.36 2.15 0.43 -0.37 116.67 123.61 1wmr s ASP 413 Ca 0.00 -0.60 -0.01 0.00 0.43 0.00 0.00 52.55 52.37 1wmr s ASP 413 Cb -0.20 -0.28 -0.00 0.00 -0.30 0.00 0.00 42.92 42.14 1wmr s ASP 413 CO -0.06 0.25 0.70 -3.20 -0.17 0.00 0.00 175.17 172.68 1wmr n ASN 414 N 1.69 -7.23 -4.20 -0.34 4.05 0.37 -1.86 115.26 107.75 1wmr n ASN 414 Ca -0.17 -0.27 -0.33 0.00 0.45 0.00 0.00 54.58 54.26 1wmr n ASN 414 Cb 0.52 -4.71 -0.16 0.00 1.23 0.00 0.00 39.78 36.66 1wmr n ASN 414 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1wmr s VAL 415 N -3.03 2.42 -0.40 3.44 1.01 -1.02 -1.71 120.40 121.11 1wmr s VAL 415 Ca 0.04 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1wmr s VAL 415 Cb -0.01 -2.03 0.11 0.00 0.00 0.00 0.00 36.38 34.45 1wmr s VAL 415 CO 0.77 0.52 0.16 -0.62 0.00 0.00 0.00 175.10 175.93 1wmr s ASP 416 N 1.12 5.00 -0.71 3.32 -1.08 0.26 -0.69 116.67 123.90 1wmr s ASP 416 Ca 0.01 -2.21 -0.27 0.00 -0.52 0.00 0.00 52.55 49.56 1wmr s ASP 416 Cb -0.14 -1.74 0.01 0.00 -1.46 0.00 0.00 42.92 39.59 1wmr s ASP 416 CO -0.06 -0.45 1.50 -0.69 0.52 0.00 0.00 175.17 175.99 1wmr s VAL 417 N 0.86 3.59 0.21 1.11 1.01 0.11 -1.81 120.40 125.48 1wmr s VAL 417 Ca 0.11 0.28 0.22 0.00 0.00 0.00 0.00 61.98 62.59 1wmr s VAL 417 Cb -0.21 -4.56 0.20 0.00 0.00 0.00 0.00 36.38 31.80 1wmr s VAL 417 CO -0.05 -1.51 1.84 0.16 0.00 0.00 0.00 175.10 175.53 1wmr h ILE 418 N 6.38 0.72 -3.67 2.22 3.07 -1.42 -1.92 117.51 122.90 1wmr h ILE 418 Ca -0.25 -1.17 -0.07 0.00 1.55 0.00 0.00 64.86 64.91 1wmr h ILE 418 Cb 1.09 1.75 -0.13 0.00 -0.27 0.00 0.00 36.82 39.25 1wmr h ILE 418 CO 1.26 0.26 -0.26 -1.00 -1.05 0.00 0.00 178.15 177.37 1wmr s HIS 419 N -3.76 0.05 -0.09 0.16 3.76 -1.24 -4.35 115.29 109.82 1wmr s HIS 419 Ca -0.00 -0.44 -0.17 0.00 -0.15 0.00 0.00 55.06 54.30 1wmr s HIS 419 Cb 0.11 0.06 0.04 0.00 1.11 0.00 0.00 32.58 33.90 1wmr s HIS 419 CO 0.65 -0.62 0.41 -0.65 -0.85 0.00 0.00 174.74 173.68 1wmr s GLN 420 N -3.85 0.64 -0.36 1.40 -0.21 -1.24 -2.51 119.66 113.52 1wmr s GLN 420 Ca 0.05 0.23 0.14 0.00 0.02 0.00 0.00 55.36 55.81 1wmr s GLN 420 Cb 0.04 0.30 0.42 0.00 1.00 0.00 0.00 33.01 34.76 1wmr s GLN 420 CO -0.10 -0.14 1.07 0.00 -2.12 0.00 0.00 175.29 174.00 1wmr n ALA 421 N 1.97 2.38 -1.18 6.09 0.00 0.18 -4.84 120.51 125.12 1wmr n ALA 421 Ca -0.17 -2.47 -0.31 0.00 0.00 0.00 0.00 53.44 50.48 1wmr n ALA 421 Cb 0.57 -0.97 0.10 0.00 0.00 0.00 0.00 19.45 19.15 1wmr n ALA 421 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1wmr s TYR 422 N -1.82 2.40 -0.05 0.00 2.02 -1.23 -4.25 117.35 114.43 1wmr s TYR 422 Ca 0.26 1.60 -0.02 0.00 -0.37 0.00 0.00 57.07 58.54 1wmr s TYR 422 Cb 0.42 -3.12 -0.02 0.00 -0.40 0.00 0.00 41.96 38.84 1wmr s TYR 422 CO -0.02 -1.99 -0.06 0.00 -1.57 0.00 0.00 175.55 171.92 1wmr n ALA 423 N -3.55 2.53 -4.07 3.71 0.00 -1.26 -4.02 120.51 113.85 1wmr n ALA 423 Ca 0.10 -0.19 -0.16 0.00 0.00 0.00 0.00 53.44 53.19 1wmr n ALA 423 Cb 0.53 0.43 -0.04 0.00 0.00 0.00 0.00 19.45 20.36 1wmr n ALA 423 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1wmr n ASN 424 N -3.09 -1.16 -0.02 0.00 2.04 -1.26 -4.81 115.26 106.96 1wmr n ASN 424 Ca -0.09 -2.94 -0.04 0.00 -0.44 0.00 0.00 54.58 51.08 1wmr n ASN 424 Cb 0.57 2.26 0.19 0.00 -2.53 0.00 0.00 39.78 40.27 1wmr n ASN 424 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1wmr h ALA 425 N 2.03 1.09 0.00 -2.53 0.00 -1.67 -2.52 119.26 115.66 1wmr h ALA 425 Ca -0.26 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1wmr h ALA 425 Cb 1.17 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1wmr h ALA 425 CO 0.35 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.57 1wmr n GLY 426 N -0.43 -0.32 0.16 0.00 0.00 -1.26 -0.47 105.19 102.88 1wmr n GLY 426 Ca 0.00 -0.01 0.14 0.00 0.00 0.00 0.00 46.02 46.15 1wmr n GLY 426 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wmr n ASN 427 N -1.27 0.69 -3.63 1.61 3.02 -0.95 -4.94 115.26 109.79 1wmr n ASN 427 Ca 0.01 -0.67 -0.23 0.00 -0.03 0.00 0.00 54.58 53.65 1wmr n ASN 427 Cb 0.01 0.01 0.04 0.00 -0.61 0.00 0.00 39.78 39.23 1wmr n ASN 427 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1wmr n ASN 428 N -0.85 -3.15 -3.80 6.41 3.02 0.38 -0.05 115.26 117.22 1wmr n ASN 428 Ca 0.13 -0.86 -0.30 0.00 -0.03 0.00 0.00 54.58 53.52 1wmr n ASN 428 Cb 0.31 -4.03 0.24 0.00 -0.61 0.00 0.00 39.78 35.69 1wmr n ASN 428 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1wmr s PRO 429 N -5.74 -1.14 0.00 3.52 0.04 -1.26 -2.26 135.00 128.16 1wmr s PRO 429 Ca 0.21 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.12 1wmr s PRO 429 Cb -0.06 -1.61 0.00 0.00 0.04 0.00 0.00 34.50 32.87 1wmr s PRO 429 CO 0.82 -3.64 0.00 0.41 0.04 0.00 0.00 177.00 174.62 1wmr n GLY 430 N -1.21 3.52 0.09 0.56 0.00 -1.26 -4.69 105.19 102.21 1wmr n GLY 430 Ca 0.14 -1.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.31 1wmr n GLY 430 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1wmr h ILE 431 N 0.53 1.06 -3.51 -0.61 2.04 -1.08 -1.25 117.51 114.69 1wmr h ILE 431 Ca 0.00 -1.51 -0.70 0.00 1.00 0.00 0.00 64.86 63.65 1wmr h ILE 431 Cb 0.00 1.90 -0.34 0.00 -0.74 0.00 0.00 36.82 37.64 1wmr h ILE 431 CO 0.00 0.32 -0.56 -0.36 0.00 0.00 0.00 178.15 177.55 1wmr s PHE 432 N -2.77 3.52 0.32 1.37 0.40 -0.42 -0.18 117.98 120.21 1wmr s PHE 432 Ca -0.13 -2.26 0.09 0.00 -0.60 0.00 0.00 56.93 54.03 1wmr s PHE 432 Cb -0.01 -3.08 -0.06 0.00 0.51 0.00 0.00 43.02 40.39 1wmr s PHE 432 CO 0.48 -0.94 -0.10 0.20 0.70 0.00 0.00 175.22 175.56 1wmr s GLY 433 N 1.81 2.04 -0.38 4.36 0.00 0.13 -1.84 107.32 113.44 1wmr s GLY 433 Ca 0.06 -2.01 0.06 0.00 0.00 0.00 0.00 44.72 42.83 1wmr s GLY 433 CO -0.03 -1.97 0.52 0.00 0.00 0.00 0.00 173.10 171.62 1wmr s ALA 434 N -2.71 -1.62 1.33 3.20 0.00 -0.80 -2.26 121.76 118.90 1wmr s ALA 434 Ca 0.31 -0.14 -0.18 0.00 0.00 0.00 0.00 51.96 51.95 1wmr s ALA 434 Cb 0.02 -2.44 0.28 0.00 0.00 0.00 0.00 23.12 20.97 1wmr s ALA 434 CO 0.15 -2.13 0.68 1.33 0.00 0.00 0.00 175.76 175.79 1wmr n VAL 435 N 4.49 0.00 -1.23 0.00 0.24 -1.17 -1.27 118.33 119.40 1wmr n VAL 435 Ca 0.10 -0.07 -0.30 0.00 -2.04 0.00 0.00 64.34 62.02 1wmr n VAL 435 Cb 0.52 -0.83 0.24 0.00 -1.47 0.00 0.00 33.84 32.31 1wmr n VAL 435 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1wmr s ASN 436 N -3.01 0.97 -0.46 -1.34 2.47 -0.56 -4.36 114.94 108.65 1wmr s ASN 436 Ca 0.51 0.44 -0.29 0.00 0.42 0.00 0.00 52.86 53.94 1wmr s ASN 436 Cb -0.08 -0.55 0.03 0.00 -1.45 0.00 0.00 41.25 39.20 1wmr s ASN 436 CO 0.42 -4.07 1.19 0.21 -3.72 0.00 0.00 177.10 171.12 1wmr s ASN 437 N -4.18 6.58 0.64 -4.21 3.04 -1.26 -4.10 114.94 111.45 1wmr s ASN 437 Ca 0.73 0.54 0.31 0.00 0.04 0.00 0.00 52.86 54.49 1wmr s ASN 437 Cb -0.07 -2.55 1.72 0.00 -1.54 0.00 0.00 41.25 38.82 1wmr s ASN 437 CO 0.55 -1.28 2.01 0.10 -3.04 0.00 0.00 177.10 175.45 1wmr h TYR 438 N 9.47 0.00 -0.01 0.43 -0.00 -1.54 0.16 116.97 125.48 1wmr h TYR 438 Ca -0.24 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 58.42 1wmr h TYR 438 Cb 1.07 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.79 1wmr h TYR 438 CO 0.97 0.00 -0.33 -0.07 -0.00 0.00 0.00 178.16 178.73 1wmr h LEU 439 N 0.00 0.02 -0.15 0.10 3.38 -1.91 -2.80 115.31 113.95 1wmr h LEU 439 Ca 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1wmr h LEU 439 Cb 0.63 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1wmr h LEU 439 CO -0.00 0.35 0.00 -1.22 0.09 0.00 0.00 178.44 177.66 1wmr n TYR 440 N -4.14 0.00 -3.07 1.13 4.02 -0.34 -4.80 117.16 109.97 1wmr n TYR 440 Ca -0.02 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.70 1wmr n TYR 440 Cb 0.38 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.69 1wmr n TYR 440 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wmr n ALA 441 N -0.84 1.29 -0.49 -0.72 0.00 0.40 -5.00 120.51 115.15 1wmr n ALA 441 Ca 0.00 -2.88 0.42 0.00 0.00 0.00 0.00 53.44 50.98 1wmr n ALA 441 Cb 0.00 -0.98 0.65 0.00 0.00 0.00 0.00 19.45 19.12 1wmr n ALA 441 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1wmr h PRO 442 N 3.26 0.00 -0.19 0.00 0.13 -1.69 1.00 132.00 134.52 1wmr h PRO 442 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1wmr h PRO 442 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1wmr h PRO 442 CO 0.41 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.78 1wmr n ASP 443 N -3.63 1.76 0.00 1.44 3.85 -1.26 -4.90 116.55 113.81 1wmr n ASP 443 Ca 0.35 -1.74 0.00 0.00 -0.71 0.00 0.00 54.79 52.69 1wmr n ASP 443 Cb 1.81 -0.12 0.00 0.00 -1.35 0.00 0.00 41.12 41.45 1wmr n ASP 443 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1wmr n GLY 444 N 1.14 0.77 2.91 6.12 0.00 0.35 -4.95 105.19 111.53 1wmr n GLY 444 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 1wmr n GLY 444 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wmr s LEU 445 N 0.00 1.20 -0.08 0.99 0.20 -1.26 -1.50 118.68 118.23 1wmr s LEU 445 Ca 0.00 -0.28 -0.30 0.00 0.69 0.00 0.00 54.13 54.25 1wmr s LEU 445 Cb 0.00 -0.79 0.11 0.00 -0.43 0.00 0.00 46.19 45.07 1wmr s LEU 445 CO 0.00 -0.10 0.88 -0.55 -0.29 0.00 0.00 176.35 176.29 1wmr s SER 446 N 1.56 -0.45 0.37 3.68 0.15 -1.26 -4.98 113.70 112.77 1wmr s SER 446 Ca 0.02 0.37 0.20 0.00 0.70 0.00 0.00 55.95 57.24 1wmr s SER 446 Cb -0.13 0.39 0.26 0.00 -1.71 0.00 0.00 66.02 64.83 1wmr s SER 446 CO -0.06 -0.50 1.55 0.77 1.20 0.00 0.00 173.24 176.20 1wmr h SER 447 N 2.52 0.00 -2.49 5.45 4.64 -2.01 -3.44 113.55 118.22 1wmr h SER 447 Ca -0.22 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.53 1wmr h SER 447 Cb 1.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 1wmr h SER 447 CO 0.33 0.25 1.33 0.21 -0.87 0.00 0.00 176.83 178.08 1wmr s ASN 448 N -6.32 5.76 -0.30 4.97 2.47 -1.26 -4.83 114.94 115.43 1wmr s ASN 448 Ca 0.05 1.38 0.09 0.00 0.42 0.00 0.00 52.86 54.81 1wmr s ASN 448 Cb 0.06 -2.52 0.53 0.00 -1.45 0.00 0.00 41.25 37.88 1wmr s ASN 448 CO 0.70 -1.80 1.52 1.41 -3.72 0.00 0.00 177.10 175.21 1wmr n HIS 449 N 10.75 1.33 -2.30 0.43 8.25 -1.26 -4.70 115.22 127.73 1wmr n HIS 449 Ca 0.24 -1.53 -0.27 0.00 -0.26 0.00 0.00 57.72 55.90 1wmr n HIS 449 Cb 0.47 -0.53 0.01 0.00 1.12 0.00 0.00 29.99 31.06 1wmr n HIS 449 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1wmr n SER 450 N -1.03 5.05 -0.60 0.41 7.64 -1.26 0.19 113.62 124.01 1wmr n SER 450 Ca 0.35 -3.74 0.03 0.00 1.01 0.00 0.00 58.87 56.53 1wmr n SER 450 Cb 1.10 -0.49 0.05 0.00 -1.01 0.00 0.00 64.21 63.87 1wmr n SER 450 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1wmr n THR 451 N -0.55 0.61 -2.16 0.44 -2.24 -1.11 -3.94 114.28 105.32 1wmr n THR 451 Ca 0.42 -0.97 -0.27 0.00 -2.27 0.00 0.00 64.05 60.96 1wmr n THR 451 Cb 0.71 0.37 0.17 0.00 -2.10 0.00 0.00 70.33 69.48 1wmr n THR 451 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wmr n GLY 452 N -0.32 -0.73 2.84 3.38 0.00 -0.67 -4.55 105.19 105.14 1wmr n GLY 452 Ca 0.06 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 43.96 1wmr n GLY 452 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wmr s ASN 453 N -5.52 3.67 0.00 1.61 3.84 0.36 -0.48 114.94 118.41 1wmr s ASN 453 Ca 0.71 -1.23 0.16 0.00 0.21 0.00 0.00 52.86 52.71 1wmr s ASN 453 Cb -0.03 -0.97 0.95 0.00 -0.55 0.00 0.00 41.25 40.66 1wmr s ASN 453 CO 0.49 -0.30 1.42 -1.54 -2.79 0.00 0.00 177.10 174.37 1wmr n SER 454 N 4.79 0.00 -0.50 -4.21 3.41 -1.26 -2.78 113.62 113.08 1wmr n SER 454 Ca -0.08 -0.90 0.09 0.00 -0.26 0.00 0.00 58.87 57.73 1wmr n SER 454 Cb 0.44 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.41 1wmr n SER 454 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1wmr n ASN 455 N -0.86 1.98 -4.59 4.04 3.02 -1.26 -4.87 115.26 112.72 1wmr n ASN 455 Ca 0.12 -1.49 -0.26 0.00 -0.03 0.00 0.00 54.58 52.92 1wmr n ASN 455 Cb 0.05 0.38 -0.09 0.00 -0.61 0.00 0.00 39.78 39.52 1wmr n ASN 455 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1wmr s MET 456 N -2.07 2.13 -0.07 3.52 -1.94 -1.12 -5.06 119.30 114.70 1wmr s MET 456 Ca 0.17 -1.31 -0.09 0.00 -1.71 0.00 0.00 55.69 52.75 1wmr s MET 456 Cb 0.16 -2.16 0.02 0.00 2.01 0.00 0.00 34.83 34.86 1wmr s MET 456 CO 0.44 0.42 0.24 0.99 -0.01 0.00 0.00 175.02 177.10 1wmr s THR 457 N -1.89 0.02 -0.26 2.05 2.01 -1.25 -1.71 115.64 114.62 1wmr s THR 457 Ca 0.27 -0.17 -0.06 0.00 0.31 0.00 0.00 61.69 62.04 1wmr s THR 457 Cb -0.08 -0.41 -0.00 0.00 0.01 0.00 0.00 72.50 72.02 1wmr s THR 457 CO 0.17 -0.10 0.03 -0.69 -0.69 0.00 0.00 174.62 173.34 1wmr s VAL 458 N -0.31 3.76 0.22 3.82 1.01 0.17 -2.44 120.40 126.63 1wmr s VAL 458 Ca -0.04 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1wmr s VAL 458 Cb -0.03 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 1wmr s VAL 458 CO 0.01 0.24 0.03 0.00 0.00 0.00 0.00 175.10 175.38 1wmr s ARG 459 N 1.50 1.29 -1.04 2.72 1.70 -0.18 -1.33 118.95 123.60 1wmr s ARG 459 Ca 0.04 -1.66 -0.17 0.00 -0.47 0.00 0.00 55.73 53.47 1wmr s ARG 459 Cb -0.16 -0.39 -0.00 0.00 -0.57 0.00 0.00 34.95 33.83 1wmr s ARG 459 CO 0.00 -0.17 0.74 -1.71 -1.08 0.00 0.00 175.30 173.08 1wmr n ASN 460 N -0.38 -5.42 -4.41 -2.89 5.15 -0.63 -2.47 115.26 104.21 1wmr n ASN 460 Ca -0.04 -0.93 -0.33 0.00 -0.60 0.00 0.00 54.58 52.68 1wmr n ASN 460 Cb 0.64 -3.11 -0.14 0.00 -0.53 0.00 0.00 39.78 36.65 1wmr n ASN 460 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1wmr s ILE 461 N -3.33 3.31 -0.15 -1.44 -1.09 -0.69 -1.98 121.20 115.82 1wmr s ILE 461 Ca 0.34 -0.57 -0.00 0.00 -2.23 0.00 0.00 60.65 58.19 1wmr s ILE 461 Cb -0.13 -2.41 0.04 0.00 -1.58 0.00 0.00 42.46 38.37 1wmr s ILE 461 CO 0.87 0.52 -0.07 -0.89 -1.23 0.00 0.00 174.94 174.13 1wmr s THR 462 N 0.33 1.20 -0.37 2.92 2.01 -0.02 -0.89 115.64 120.83 1wmr s THR 462 Ca -0.09 -0.59 -0.03 0.00 0.31 0.00 0.00 61.69 61.29 1wmr s THR 462 Cb -0.15 -1.30 0.08 0.00 0.01 0.00 0.00 72.50 71.14 1wmr s THR 462 CO 0.05 0.23 0.14 0.26 -0.69 0.00 0.00 174.62 174.60 1wmr s TRP 463 N 1.61 3.45 0.09 4.92 0.51 -0.94 -0.91 118.94 127.67 1wmr s TRP 463 Ca 0.02 -2.10 0.10 0.00 -2.12 0.00 0.00 56.10 51.99 1wmr s TRP 463 Cb -0.14 -2.78 -0.03 0.00 -0.81 0.00 0.00 33.47 29.70 1wmr s TRP 463 CO -0.08 -0.89 -0.25 -1.54 -0.51 0.00 0.00 176.95 173.68 1wmr s SER 464 N 1.63 3.04 -1.29 2.95 1.04 0.49 -1.91 113.70 119.64 1wmr s SER 464 Ca 0.03 -0.66 -0.05 0.00 0.48 0.00 0.00 55.95 55.75 1wmr s SER 464 Cb -0.22 -0.23 0.01 0.00 0.10 0.00 0.00 66.02 65.68 1wmr s SER 464 CO -0.02 0.18 1.10 0.59 0.98 0.00 0.00 173.24 176.07 1wmr n ASN 465 N 1.34 -4.38 -4.85 7.02 3.02 0.37 -0.48 115.26 117.30 1wmr n ASN 465 Ca -0.18 -0.58 -0.32 0.00 -0.03 0.00 0.00 54.58 53.47 1wmr n ASN 465 Cb 0.53 -5.06 -0.06 0.00 -0.61 0.00 0.00 39.78 34.59 1wmr n ASN 465 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1wmr s PHE 466 N -3.34 3.38 -0.16 3.10 0.40 -0.65 -2.43 117.98 118.28 1wmr s PHE 466 Ca 0.32 1.29 -0.10 0.00 -0.60 0.00 0.00 56.93 57.84 1wmr s PHE 466 Cb -0.14 -2.61 0.05 0.00 0.51 0.00 0.00 43.02 40.83 1wmr s PHE 466 CO 0.73 -0.02 0.39 0.50 0.70 0.00 0.00 175.22 177.53 1wmr s ARG 467 N -3.24 0.40 -0.23 0.44 3.52 0.13 -2.39 118.95 117.58 1wmr s ARG 467 Ca 0.56 0.71 0.02 0.00 -0.13 0.00 0.00 55.73 56.88 1wmr s ARG 467 Cb -0.10 0.03 0.05 0.00 -1.56 0.00 0.00 34.95 33.38 1wmr s ARG 467 CO 0.20 -0.13 -0.10 0.00 -0.81 0.00 0.00 175.30 174.45 1wmr s ALA 468 N 1.07 2.24 0.38 6.12 0.00 -0.25 0.04 121.76 131.37 1wmr s ALA 468 Ca -0.07 -1.45 -0.07 0.00 0.00 0.00 0.00 51.96 50.37 1wmr s ALA 468 Cb -0.07 -1.42 -0.05 0.00 0.00 0.00 0.00 23.12 21.58 1wmr s ALA 468 CO -0.09 -1.00 0.70 -1.21 0.00 0.00 0.00 175.76 174.16 1wmr s GLU 469 N 1.28 3.68 1.53 0.00 2.02 -0.72 -1.57 118.70 124.91 1wmr s GLU 469 Ca -0.05 0.24 0.00 0.00 0.02 0.00 0.00 54.97 55.19 1wmr s GLU 469 Cb -0.18 -2.47 0.00 0.00 0.10 0.00 0.00 34.13 31.58 1wmr s GLU 469 CO -0.07 0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.63 1wmr n GLY 470 N -1.40 -1.42 3.75 -1.39 0.00 -1.26 -4.39 105.19 99.07 1wmr n GLY 470 Ca 0.01 -1.17 -0.36 0.00 0.00 0.00 0.00 46.02 44.49 1wmr n GLY 470 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wmr s SER 471 N -4.06 4.97 0.09 1.61 1.04 -1.26 -3.11 113.70 112.97 1wmr s SER 471 Ca 0.00 2.44 -0.01 0.00 0.48 0.00 0.00 55.95 58.86 1wmr s SER 471 Cb 0.00 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.48 1wmr s SER 471 CO 0.00 -1.75 0.02 -0.55 0.98 0.00 0.00 173.24 171.94 1wmr s SER 472 N -1.59 0.40 0.84 7.02 0.15 0.26 -4.42 113.70 116.36 1wmr s SER 472 Ca 0.78 -1.07 -0.07 0.00 0.70 0.00 0.00 55.95 56.29 1wmr s SER 472 Cb -0.32 0.25 0.17 0.00 -1.71 0.00 0.00 66.02 64.41 1wmr s SER 472 CO 0.36 -0.66 1.09 -1.54 1.20 0.00 0.00 173.24 173.69 1wmr n SER 473 N 0.02 0.78 -4.68 5.45 3.41 -1.26 -0.98 113.62 116.35 1wmr n SER 473 Ca -0.10 -1.82 -0.38 0.00 -0.26 0.00 0.00 58.87 56.30 1wmr n SER 473 Cb 0.62 -0.77 0.05 0.00 -0.26 0.00 0.00 64.21 63.85 1wmr n SER 473 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wmr n ALA 474 N -3.30 0.85 -0.13 7.33 0.00 0.17 -4.65 120.51 120.78 1wmr n ALA 474 Ca -0.18 0.06 -0.04 0.00 0.00 0.00 0.00 53.44 53.28 1wmr n ALA 474 Cb 0.56 -2.24 0.04 0.00 0.00 0.00 0.00 19.45 17.81 1wmr n ALA 474 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wmr h LEU 475 N 0.85 0.03 -7.31 0.00 5.85 -1.88 -0.75 115.31 112.10 1wmr h LEU 475 Ca -0.50 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.20 1wmr h LEU 475 Cb 1.34 0.09 -0.21 0.00 0.37 0.00 0.00 40.66 42.25 1wmr h LEU 475 CO 0.54 0.05 -0.13 0.72 -0.34 0.00 0.00 178.44 179.28 1wmr s PHE 476 N -6.15 -0.39 -0.39 1.25 -0.71 -1.26 -1.30 117.98 109.02 1wmr s PHE 476 Ca -0.13 0.75 0.03 0.00 -1.04 0.00 0.00 56.93 56.54 1wmr s PHE 476 Cb 0.14 0.20 0.16 0.00 -1.21 0.00 0.00 43.02 42.31 1wmr s PHE 476 CO 0.72 -0.41 0.32 1.03 -1.34 0.00 0.00 175.22 175.54 1wmr s ARG 477 N -0.88 0.77 -0.20 1.99 0.52 -0.77 -1.54 118.95 118.84 1wmr s ARG 477 Ca -0.09 -1.68 -0.06 0.00 -0.52 0.00 0.00 55.73 53.37 1wmr s ARG 477 Cb -0.03 -1.24 -0.03 0.00 0.52 0.00 0.00 34.95 34.17 1wmr s ARG 477 CO 0.05 -1.31 0.02 0.42 0.02 0.00 0.00 175.30 174.50 1wmr s ILE 478 N 0.56 4.23 -0.44 1.52 1.01 -0.83 -1.91 121.20 125.34 1wmr s ILE 478 Ca 0.26 -0.22 -0.12 0.00 0.00 0.00 0.00 60.65 60.58 1wmr s ILE 478 Cb -0.07 -2.91 0.07 0.00 0.01 0.00 0.00 42.46 39.56 1wmr s ILE 478 CO -0.11 0.43 0.31 0.20 0.00 0.00 0.00 174.94 175.77 1wmr s ASN 479 N 0.83 5.84 -0.96 3.58 0.01 -0.40 -4.15 114.94 119.71 1wmr s ASN 479 Ca 0.02 -1.41 -0.25 0.00 -0.71 0.00 0.00 52.86 50.51 1wmr s ASN 479 Cb -0.14 -2.07 -0.10 0.00 0.41 0.00 0.00 41.25 39.36 1wmr s ASN 479 CO 0.02 -0.57 2.07 -2.84 -1.51 0.00 0.00 177.10 174.27 1wmr s PRO 480 N 1.52 2.16 0.00 -0.60 0.02 -1.26 -4.67 135.00 132.17 1wmr s PRO 480 Ca 0.03 -0.31 0.29 0.00 0.02 0.00 0.00 61.00 61.03 1wmr s PRO 480 Cb -0.23 -5.03 1.19 0.00 0.02 0.00 0.00 34.50 30.45 1wmr s PRO 480 CO 0.04 -4.00 1.89 0.44 -0.33 0.00 0.00 177.00 175.04 1wmr n ILE 481 N 8.21 0.00 -4.06 2.83 -5.35 -1.26 -4.61 119.36 115.12 1wmr n ILE 481 Ca 0.43 -0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.80 1wmr n ILE 481 Cb 0.46 -0.40 -0.06 0.00 -1.74 0.00 0.00 39.64 37.89 1wmr n ILE 481 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wmr s GLN 482 N -2.93 1.50 0.65 6.28 0.00 -1.26 -0.49 119.66 123.41 1wmr s GLN 482 Ca 0.16 -1.40 -0.17 0.00 -0.00 0.00 0.00 55.36 53.96 1wmr s GLN 482 Cb 0.19 0.42 -0.01 0.00 0.00 0.00 0.00 33.01 33.61 1wmr s GLN 482 CO 0.54 -0.60 1.18 -0.80 0.00 0.00 0.00 175.29 175.61 1wmr s ASN 483 N -3.07 4.91 -0.06 12.60 0.01 -0.69 -4.82 114.94 123.81 1wmr s ASN 483 Ca 0.27 2.28 0.05 0.00 -0.71 0.00 0.00 52.86 54.76 1wmr s ASN 483 Cb 0.01 -2.58 -0.01 0.00 0.41 0.00 0.00 41.25 39.08 1wmr s ASN 483 CO 0.11 -1.78 -0.22 -0.76 -1.51 0.00 0.00 177.10 172.94 1wmr s LEU 484 N -4.55 2.01 -0.18 0.60 1.43 -0.25 -0.66 118.68 117.09 1wmr s LEU 484 Ca 0.74 -0.46 -0.10 0.00 -1.03 0.00 0.00 54.13 53.28 1wmr s LEU 484 Cb -0.27 -1.23 0.06 0.00 0.03 0.00 0.00 46.19 44.77 1wmr s LEU 484 CO 0.38 0.21 0.44 -0.62 0.23 0.00 0.00 176.35 176.98 1wmr s ASP 485 N -0.06 -0.55 -0.98 2.29 2.15 -0.44 0.25 116.67 119.33 1wmr s ASP 485 Ca -0.05 0.94 -0.00 0.00 0.43 0.00 0.00 52.55 53.88 1wmr s ASP 485 Cb -0.13 0.83 0.00 0.00 -0.30 0.00 0.00 42.92 43.32 1wmr s ASP 485 CO 0.03 -0.19 0.82 -3.20 -0.17 0.00 0.00 175.17 172.46 1wmr n ASN 486 N 4.15 -2.05 -4.42 -0.34 4.05 0.02 -1.61 115.26 115.06 1wmr n ASN 486 Ca -0.22 -0.51 -0.36 0.00 0.45 0.00 0.00 54.58 53.94 1wmr n ASN 486 Cb 0.56 -4.28 -0.13 0.00 1.23 0.00 0.00 39.78 37.16 1wmr n ASN 486 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 177.26 173.70 1wmr s ILE 487 N -3.29 4.13 -0.08 -1.44 2.07 -0.83 -1.71 121.20 120.05 1wmr s ILE 487 Ca 0.00 -0.26 0.02 0.00 -1.41 0.00 0.00 60.65 59.00 1wmr s ILE 487 Cb -0.00 -2.94 0.01 0.00 0.13 0.00 0.00 42.46 39.66 1wmr s ILE 487 CO 0.60 0.34 -0.13 -0.94 -1.91 0.00 0.00 174.94 172.89 1wmr s SER 488 N 1.59 2.04 -0.30 4.50 1.04 -0.07 -1.39 113.70 121.12 1wmr s SER 488 Ca 0.06 -0.34 -0.14 0.00 0.48 0.00 0.00 55.95 56.01 1wmr s SER 488 Cb -0.15 -0.92 -0.03 0.00 0.10 0.00 0.00 66.02 65.02 1wmr s SER 488 CO 0.02 0.02 0.33 -0.63 0.98 0.00 0.00 173.24 173.96 1wmr s ILE 489 N 0.82 5.20 -0.19 -1.02 1.01 0.17 -2.20 121.20 125.00 1wmr s ILE 489 Ca -0.11 0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.84 1wmr s ILE 489 Cb -0.15 -3.70 0.03 0.00 0.01 0.00 0.00 42.46 38.64 1wmr s ILE 489 CO 0.02 0.09 -0.15 -0.54 0.00 0.00 0.00 174.94 174.36 1wmr s LYS 490 N 1.98 2.44 -0.16 2.79 1.02 -0.80 0.63 119.74 127.63 1wmr s LYS 490 Ca 0.12 -0.82 -0.10 0.00 0.02 0.00 0.00 55.97 55.19 1wmr s LYS 490 Cb -0.16 -2.43 0.04 0.00 -0.52 0.00 0.00 37.83 34.76 1wmr s LYS 490 CO 0.11 -0.32 0.21 0.09 -0.92 0.00 0.00 175.35 174.51 1wmr n ASN 491 N 4.66 -0.83 -3.66 2.83 3.02 0.24 -0.48 115.26 121.04 1wmr n ASN 491 Ca -0.17 1.14 -0.12 0.00 -0.03 0.00 0.00 54.58 55.40 1wmr n ASN 491 Cb 0.48 -4.62 -0.12 0.00 -0.61 0.00 0.00 39.78 34.91 1wmr n ASN 491 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1wmr s VAL 492 N -0.61 -0.47 -0.11 2.41 0.11 0.13 -1.56 120.40 120.30 1wmr s VAL 492 Ca -0.24 0.24 0.03 0.00 -2.93 0.00 0.00 61.98 59.08 1wmr s VAL 492 Cb 0.02 -0.51 -0.00 0.00 -1.53 0.00 0.00 36.38 34.36 1wmr s VAL 492 CO 0.68 0.10 -0.22 -0.94 -3.33 0.00 0.00 175.10 171.39 1wmr s SER 493 N 2.43 3.25 -0.41 3.54 1.04 -1.01 -1.22 113.70 121.33 1wmr s SER 493 Ca -0.00 -0.53 -0.05 0.00 0.48 0.00 0.00 55.95 55.84 1wmr s SER 493 Cb -0.12 -1.45 0.09 0.00 0.10 0.00 0.00 66.02 64.64 1wmr s SER 493 CO -0.10 0.14 0.21 -0.63 0.98 0.00 0.00 173.24 173.85 1wmr s ILE 494 N 0.45 3.65 0.27 -1.02 1.01 0.17 -1.09 121.20 124.65 1wmr s ILE 494 Ca -0.15 -1.73 0.00 0.00 0.00 0.00 0.00 60.65 58.77 1wmr s ILE 494 Cb -0.17 -3.35 0.27 0.00 0.01 0.00 0.00 42.46 39.22 1wmr s ILE 494 CO 0.06 -0.57 1.69 -0.08 0.00 0.00 0.00 174.94 176.04 1wmr h GLU 495 N 8.20 0.32 -2.20 2.79 4.81 -1.49 -1.65 114.58 125.36 1wmr h GLU 495 Ca -0.18 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.00 1wmr h GLU 495 Cb 1.06 -0.07 -0.18 0.00 0.63 0.00 0.00 28.75 30.20 1wmr h GLU 495 CO 0.72 0.21 0.25 0.45 -0.73 0.00 0.00 179.01 179.91 1wmr s SER 496 N -5.20 -0.59 0.09 1.04 0.15 -1.18 -3.51 113.70 104.51 1wmr s SER 496 Ca -0.12 0.48 -0.09 0.00 0.70 0.00 0.00 55.95 56.92 1wmr s SER 496 Cb 0.24 0.52 -0.06 0.00 -1.71 0.00 0.00 66.02 65.01 1wmr s SER 496 CO 0.77 -0.67 0.40 -0.36 1.20 0.00 0.00 173.24 174.58 1wmr s PHE 497 N -1.89 3.55 0.95 3.44 0.40 -1.26 0.89 117.98 124.06 1wmr s PHE 497 Ca -0.06 0.74 -0.12 0.00 -0.60 0.00 0.00 56.93 56.89 1wmr s PHE 497 Cb -0.00 -2.13 0.16 0.00 0.51 0.00 0.00 43.02 41.56 1wmr s PHE 497 CO 0.03 0.50 1.09 -1.21 0.70 0.00 0.00 175.22 176.32 1wmr s GLU 498 N -2.08 0.83 0.16 0.44 2.02 -0.16 -4.53 118.70 115.38 1wmr s GLU 498 Ca 0.35 0.81 -0.34 0.00 0.02 0.00 0.00 54.97 55.81 1wmr s GLU 498 Cb -0.13 -1.76 -0.15 0.00 0.10 0.00 0.00 34.13 32.19 1wmr s GLU 498 CO 0.19 -2.53 1.36 -0.35 0.02 0.00 0.00 175.26 173.95 1wmr n PRO 499 N -4.08 1.58 0.08 0.39 -0.04 -1.26 -4.80 135.00 126.87 1wmr n PRO 499 Ca 0.06 0.57 0.05 0.00 -0.04 0.00 0.00 63.50 64.14 1wmr n PRO 499 Cb 0.55 -2.20 0.48 0.00 -0.04 0.00 0.00 33.50 32.30 1wmr n PRO 499 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1wmr h LEU 500 N 4.43 0.33 -2.49 1.53 5.85 -1.99 -2.83 115.31 120.14 1wmr h LEU 500 Ca -0.45 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1wmr h LEU 500 Cb 1.31 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1wmr h LEU 500 CO 0.77 0.25 0.00 0.77 -0.34 0.00 0.00 178.44 179.89 1wmr h SER 501 N 0.39 0.00 -0.04 1.25 4.64 -2.01 -2.72 113.55 115.06 1wmr h SER 501 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1wmr h SER 501 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1wmr h SER 501 CO -0.02 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.24 1wmr n ILE 502 N -2.92 0.04 -3.32 0.95 -5.35 -1.07 -4.96 119.36 102.72 1wmr n ILE 502 Ca -0.02 -0.24 -0.17 0.00 -0.27 0.00 0.00 62.75 62.05 1wmr n ILE 502 Cb 0.10 0.38 0.08 0.00 -1.74 0.00 0.00 39.64 38.46 1wmr n ILE 502 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1wmr n ASN 503 N 0.08 -2.92 0.00 7.28 3.02 -1.03 -3.60 115.26 118.10 1wmr n ASN 503 Ca 0.19 -0.54 0.00 0.00 -0.03 0.00 0.00 54.58 54.20 1wmr n ASN 503 Cb 0.33 -4.62 0.00 0.00 -0.61 0.00 0.00 39.78 34.87 1wmr n ASN 503 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1wmr n THR 504 N -4.01 0.00 0.12 3.41 -1.04 -1.26 -3.86 114.28 107.63 1wmr n THR 504 Ca -0.20 -0.30 0.11 0.00 -2.04 0.00 0.00 64.05 61.62 1wmr n THR 504 Cb 0.63 1.01 -0.13 0.00 -1.82 0.00 0.00 70.33 70.02 1wmr n THR 504 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1wmr n THR 505 N -0.59 0.10 -2.68 12.58 -2.24 -1.26 0.45 114.28 120.64 1wmr n THR 505 Ca 0.00 -0.46 -0.42 0.00 -2.27 0.00 0.00 64.05 60.91 1wmr n THR 505 Cb 0.00 0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.24 1wmr n THR 505 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1wmr s GLU 506 N -3.44 4.57 0.22 -0.78 2.02 -1.26 -3.74 118.70 116.29 1wmr s GLU 506 Ca -0.05 1.47 -0.13 0.00 0.02 0.00 0.00 54.97 56.28 1wmr s GLU 506 Cb 0.14 -3.43 -0.08 0.00 0.10 0.00 0.00 34.13 30.86 1wmr s GLU 506 CO 0.88 -0.02 0.60 -1.12 0.02 0.00 0.00 175.26 175.62 1wmr s SER 507 N 0.80 6.75 0.16 -0.19 0.01 -0.98 -4.73 113.70 115.52 1wmr s SER 507 Ca 0.52 1.08 -0.12 0.00 1.31 0.00 0.00 55.95 58.73 1wmr s SER 507 Cb -0.23 -2.29 0.01 0.00 0.21 0.00 0.00 66.02 63.72 1wmr s SER 507 CO 0.29 -0.03 0.35 -1.66 0.41 0.00 0.00 173.24 172.60 1wmr s TRP 508 N -1.71 0.15 -0.43 2.43 1.48 -0.59 -0.59 118.94 119.67 1wmr s TRP 508 Ca 0.45 -0.51 0.05 0.00 -1.06 0.00 0.00 56.10 55.04 1wmr s TRP 508 Cb -0.13 0.11 0.19 0.00 -1.16 0.00 0.00 33.47 32.48 1wmr s TRP 508 CO 0.20 -0.75 0.72 1.41 -4.06 0.00 0.00 176.95 174.47 1wmr s MET 509 N -3.91 0.82 0.34 3.25 1.75 -0.68 -1.97 119.30 118.89 1wmr s MET 509 Ca 0.11 -0.49 -0.26 0.00 -1.25 0.00 0.00 55.69 53.80 1wmr s MET 509 Cb 0.02 0.04 -0.10 0.00 2.84 0.00 0.00 34.83 37.64 1wmr s MET 509 CO -0.04 -1.11 0.99 -1.25 -0.65 0.00 0.00 175.02 172.96 1wmr s PRO 510 N 1.51 4.47 0.37 4.11 0.04 -1.26 -1.45 135.00 142.79 1wmr s PRO 510 Ca 0.21 1.42 -0.28 0.00 0.04 0.00 0.00 61.00 62.38 1wmr s PRO 510 Cb -0.01 -2.76 -0.11 0.00 0.04 0.00 0.00 34.50 31.66 1wmr s PRO 510 CO -0.07 0.15 1.52 1.55 0.04 0.00 0.00 177.00 180.19 1wmr n VAL 511 N 0.43 1.84 -4.40 -0.36 3.14 -1.26 -4.49 118.33 113.23 1wmr n VAL 511 Ca 0.03 -0.46 -0.24 0.00 -2.96 0.00 0.00 64.34 60.70 1wmr n VAL 511 Cb 0.49 -2.00 -0.09 0.00 -1.06 0.00 0.00 33.84 31.19 1wmr n VAL 511 CO 0.00 0.00 0.00 0.26 -6.46 0.00 0.00 176.83 170.63 1wmr s TRP 512 N -0.94 2.48 0.04 1.45 0.52 -1.26 -4.84 118.94 116.38 1wmr s TRP 512 Ca 0.55 -0.39 0.03 0.00 0.02 0.00 0.00 56.10 56.31 1wmr s TRP 512 Cb -0.47 -1.29 -0.02 0.00 -1.15 0.00 0.00 33.47 30.53 1wmr s TRP 512 CO 0.62 0.58 -0.10 0.71 0.02 0.00 0.00 176.95 178.78 1wmr s TYR 513 N -2.50 0.89 0.31 -1.98 2.02 0.13 -0.56 117.35 115.65 1wmr s TYR 513 Ca 0.33 -0.40 -0.29 0.00 -0.37 0.00 0.00 57.07 56.33 1wmr s TYR 513 Cb -0.02 -0.52 -0.11 0.00 -0.40 0.00 0.00 41.96 40.91 1wmr s TYR 513 CO 0.18 -0.02 1.56 0.34 -1.57 0.00 0.00 175.55 176.04 1wmr s ASP 514 N -1.30 6.38 0.26 2.29 -1.08 0.34 -1.68 116.67 121.89 1wmr s ASP 514 Ca -0.04 2.96 -0.05 0.00 -0.52 0.00 0.00 52.55 54.90 1wmr s ASP 514 Cb -0.08 -2.64 0.31 0.00 -1.46 0.00 0.00 42.92 39.05 1wmr s ASP 514 CO 0.01 -0.89 1.94 0.25 0.52 0.00 0.00 175.17 177.00 1wmr h LEU 515 N 4.39 1.10 0.00 -1.34 5.85 -0.90 -2.30 115.31 122.11 1wmr h LEU 515 Ca -0.48 -0.03 -0.45 0.00 0.84 0.00 0.00 57.88 57.76 1wmr h LEU 515 Cb 1.22 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.91 1wmr h LEU 515 CO 0.75 0.79 -2.54 0.59 -0.34 0.00 0.00 178.44 177.70 1wmr n ASN 516 N -4.39 1.96 0.10 1.25 3.02 -1.26 -4.70 115.26 111.23 1wmr n ASN 516 Ca 0.12 0.26 -0.02 0.00 -0.03 0.00 0.00 54.58 54.90 1wmr n ASN 516 Cb 0.02 -0.74 -0.00 0.00 -0.61 0.00 0.00 39.78 38.44 1wmr n ASN 516 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 1wmr h ASN 517 N -0.82 0.00 0.00 6.41 -0.26 -1.96 -3.47 115.58 115.48 1wmr h ASN 517 Ca -0.68 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.06 1wmr h ASN 517 Cb 1.66 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.92 1wmr h ASN 517 CO -0.37 0.75 0.00 0.61 -1.06 0.00 0.00 177.43 177.36 1wmr n GLY 518 N 1.10 0.82 3.73 2.83 0.00 -0.86 -4.96 105.19 107.84 1wmr n GLY 518 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1wmr n GLY 518 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wmr s LYS 519 N -0.03 4.34 0.12 1.61 2.20 -1.26 -4.47 119.74 122.24 1wmr s LYS 519 Ca 0.00 2.10 -0.31 0.00 -0.36 0.00 0.00 55.97 57.40 1wmr s LYS 519 Cb 0.00 -3.21 -0.09 0.00 -1.51 0.00 0.00 37.83 33.02 1wmr s LYS 519 CO 0.00 -0.38 1.54 -1.14 -0.36 0.00 0.00 175.35 175.02 1wmr s GLN 520 N 0.55 4.24 0.19 4.03 0.74 -1.26 -0.51 119.66 127.64 1wmr s GLN 520 Ca 0.62 2.27 -0.30 0.00 0.05 0.00 0.00 55.36 57.99 1wmr s GLN 520 Cb -0.37 -3.31 -0.09 0.00 1.10 0.00 0.00 33.01 30.34 1wmr s GLN 520 CO 0.34 -0.60 1.40 0.42 -0.55 0.00 0.00 175.29 176.30 1wmr s ILE 521 N 1.58 2.96 0.10 -2.34 -1.09 0.28 -4.91 121.20 117.78 1wmr s ILE 521 Ca 0.70 0.76 -0.03 0.00 -2.23 0.00 0.00 60.65 59.84 1wmr s ILE 521 Cb -0.41 -3.49 -0.05 0.00 -1.58 0.00 0.00 42.46 36.94 1wmr s ILE 521 CO 0.31 0.10 0.31 0.28 -1.23 0.00 0.00 174.94 174.71 1wmr s THR 522 N 0.42 5.25 -0.06 2.92 -1.32 -1.26 -4.60 115.64 116.99 1wmr s THR 522 Ca 0.61 -0.11 0.02 0.00 -1.21 0.00 0.00 61.69 61.01 1wmr s THR 522 Cb -0.39 -3.62 0.01 0.00 -1.51 0.00 0.00 72.50 66.99 1wmr s THR 522 CO 0.37 0.10 -0.13 -0.69 -2.21 0.00 0.00 174.62 172.06 1wmr s VAL 523 N -1.58 1.15 -0.06 5.08 1.01 -1.26 -1.09 120.40 123.66 1wmr s VAL 523 Ca 0.38 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 1wmr s VAL 523 Cb -0.13 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.23 1wmr s VAL 523 CO 0.25 0.36 0.14 -0.89 0.00 0.00 0.00 175.10 174.96 1wmr s THR 524 N 0.56 -0.01 -1.16 3.92 2.01 0.14 -4.77 115.64 116.33 1wmr s THR 524 Ca -0.13 0.05 -0.11 0.00 0.31 0.00 0.00 61.69 61.81 1wmr s THR 524 Cb -0.15 -0.21 -0.02 0.00 0.01 0.00 0.00 72.50 72.13 1wmr s THR 524 CO 0.03 0.02 0.81 0.47 -0.69 0.00 0.00 174.62 175.26 1wmr n ASP 525 N 3.32 -4.49 -4.32 3.53 8.00 -1.24 -0.80 116.55 120.55 1wmr n ASP 525 Ca -0.16 -0.87 -0.46 0.00 0.71 0.00 0.00 54.79 54.01 1wmr n ASP 525 Cb 0.57 -4.12 -0.04 0.00 -0.02 0.00 0.00 41.12 37.51 1wmr n ASP 525 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1wmr s PHE 526 N -3.50 3.42 0.06 1.24 5.99 -0.42 -1.96 117.98 122.80 1wmr s PHE 526 Ca 0.33 -1.52 -0.00 0.00 0.00 0.00 0.00 56.93 55.74 1wmr s PHE 526 Cb -0.09 -3.83 -0.04 0.00 0.00 0.00 0.00 43.02 39.06 1wmr s PHE 526 CO 0.81 -1.04 0.21 -1.54 -0.00 0.00 0.00 175.22 173.66 1wmr s SER 527 N 3.08 6.34 -0.15 6.13 1.04 -0.48 -1.01 113.70 128.65 1wmr s SER 527 Ca 0.10 0.27 -0.00 0.00 0.48 0.00 0.00 55.95 56.79 1wmr s SER 527 Cb -0.22 -1.95 0.03 0.00 0.10 0.00 0.00 66.02 63.98 1wmr s SER 527 CO -0.01 0.17 -0.09 -0.63 0.98 0.00 0.00 173.24 173.66 1wmr s ILE 528 N -1.50 1.24 0.01 -1.02 1.01 0.42 -0.65 121.20 120.71 1wmr s ILE 528 Ca 0.35 -0.55 0.04 0.00 0.00 0.00 0.00 60.65 60.49 1wmr s ILE 528 Cb -0.13 -1.29 -0.01 0.00 0.01 0.00 0.00 42.46 41.04 1wmr s ILE 528 CO 0.28 0.29 -0.12 -0.70 0.00 0.00 0.00 174.94 174.69 1wmr s GLU 529 N 1.60 0.91 -1.29 2.79 2.12 0.21 -2.41 118.70 122.62 1wmr s GLU 529 Ca 0.03 -0.56 -0.08 0.00 0.36 0.00 0.00 54.97 54.72 1wmr s GLU 529 Cb -0.14 -0.88 0.01 0.00 0.26 0.00 0.00 34.13 33.38 1wmr s GLU 529 CO -0.09 0.23 1.06 0.41 -0.54 0.00 0.00 175.26 176.34 1wmr n GLY 530 N 2.39 -0.45 3.53 -1.50 0.00 -1.26 0.82 105.19 108.72 1wmr n GLY 530 Ca -0.16 0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1wmr n GLY 530 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1wmr s PHE 531 N -3.28 3.16 0.02 1.61 5.99 -1.26 -0.69 117.98 123.52 1wmr s PHE 531 Ca 0.53 0.00 0.09 0.00 0.00 0.00 0.00 56.93 57.55 1wmr s PHE 531 Cb -0.23 -2.97 -0.03 0.00 0.00 0.00 0.00 43.02 39.79 1wmr s PHE 531 CO 0.65 -0.62 -0.26 0.95 -0.00 0.00 0.00 175.22 175.94 1wmr s THR 532 N 2.38 2.08 -0.31 0.12 -4.23 -0.36 -0.54 115.64 114.79 1wmr s THR 532 Ca 0.17 -1.27 0.02 0.00 -1.18 0.00 0.00 61.69 59.43 1wmr s THR 532 Cb -0.16 -1.76 0.09 0.00 1.34 0.00 0.00 72.50 72.01 1wmr s THR 532 CO 0.14 0.44 0.04 -0.69 -0.54 0.00 0.00 174.62 174.01 1wmr s VAL 533 N -0.73 1.71 0.00 2.29 1.01 -0.59 -0.66 120.40 123.44 1wmr s VAL 533 Ca 0.11 -1.82 0.00 0.00 0.00 0.00 0.00 61.98 60.27 1wmr s VAL 533 Cb -0.10 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.09 1wmr s VAL 533 CO 0.01 -0.50 0.00 0.61 0.00 0.00 0.00 175.10 175.22 1wmr n GLY 534 N 4.52 2.07 1.51 4.51 0.00 -0.62 -2.19 105.19 114.98 1wmr n GLY 534 Ca -0.02 -0.40 -0.02 0.00 0.00 0.00 0.00 46.02 45.59 1wmr n GLY 534 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wmr n ASN 535 N 7.52 4.06 -4.22 1.61 0.23 -1.26 -4.92 115.26 118.28 1wmr n ASN 535 Ca 0.00 -3.29 -0.35 0.00 -0.53 0.00 0.00 54.58 50.41 1wmr n ASN 535 Cb 0.00 -0.67 -0.14 0.00 -2.08 0.00 0.00 39.78 36.90 1wmr n ASN 535 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1wmr s THR 536 N -3.01 3.15 -0.30 5.53 2.01 -0.93 -5.07 115.64 117.01 1wmr s THR 536 Ca 0.49 -1.09 -0.29 0.00 0.31 0.00 0.00 61.69 61.12 1wmr s THR 536 Cb 0.41 -2.68 0.01 0.00 0.01 0.00 0.00 72.50 70.25 1wmr s THR 536 CO 0.09 0.06 1.18 0.28 -0.69 0.00 0.00 174.62 175.54 1wmr s THR 537 N 1.34 4.34 0.44 -0.82 -1.32 -1.26 -1.54 115.64 116.82 1wmr s THR 537 Ca -0.01 1.54 -0.21 0.00 -1.21 0.00 0.00 61.69 61.80 1wmr s THR 537 Cb -0.18 -4.29 -0.10 0.00 -1.51 0.00 0.00 72.50 66.42 1wmr s THR 537 CO -0.02 -0.46 0.98 -0.63 -2.21 0.00 0.00 174.62 172.28 1wmr s ILE 538 N 3.93 4.16 0.32 5.08 1.09 0.29 -5.00 121.20 131.08 1wmr s ILE 538 Ca 0.50 1.37 -0.05 0.00 -1.10 0.00 0.00 60.65 61.37 1wmr s ILE 538 Cb -0.15 -3.56 0.00 0.00 -1.06 0.00 0.00 42.46 37.69 1wmr s ILE 538 CO 0.19 -0.27 0.48 0.42 -0.10 0.00 0.00 174.94 175.66 1wmr s THR 539 N -2.08 0.00 0.27 2.92 -4.23 -1.26 -4.66 115.64 106.60 1wmr s THR 539 Ca 0.63 -1.55 0.01 0.00 -1.18 0.00 0.00 61.69 59.60 1wmr s THR 539 Cb -0.12 -2.58 0.26 0.00 1.34 0.00 0.00 72.50 71.40 1wmr s THR 539 CO 0.16 0.00 1.75 0.00 -0.54 0.00 0.00 174.62 175.99 1wmr h ALA 540 N 2.15 1.35 -0.08 3.99 0.00 -1.98 0.81 119.26 125.49 1wmr h ALA 540 Ca -0.28 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1wmr h ALA 540 Cb 1.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1wmr h ALA 540 CO 0.39 -0.15 0.00 -1.13 0.00 0.00 0.00 179.25 178.36 1wmr n SER 541 N -4.91 0.69 0.00 0.00 3.41 -1.26 -3.20 113.62 108.36 1wmr n SER 541 Ca 0.19 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.77 1wmr n SER 541 Cb 0.50 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1wmr n SER 541 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1wmr n ASN 542 N -0.18 2.69 -0.06 4.04 2.85 0.21 -4.87 115.26 119.95 1wmr n ASN 542 Ca 0.03 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.48 1wmr n ASN 542 Cb 0.13 0.52 -0.01 0.00 1.24 0.00 0.00 39.78 41.66 1wmr n ASN 542 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wmr n ALA 543 N -0.85 -0.09 0.08 5.20 0.00 0.22 -2.09 120.51 122.98 1wmr n ALA 543 Ca 0.00 0.12 -0.11 0.00 0.00 0.00 0.00 53.44 53.45 1wmr n ALA 543 Cb 0.02 0.24 -0.05 0.00 0.00 0.00 0.00 19.45 19.66 1wmr n ALA 543 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wmr h ALA 544 N -0.44 0.39 -2.20 0.00 0.00 -1.84 -1.57 119.26 113.60 1wmr h ALA 544 Ca 0.02 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1wmr h ALA 544 Cb 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1wmr h ALA 544 CO -0.14 0.93 0.00 -1.13 0.00 0.00 0.00 179.25 178.91 1wmr n SER 545 N -3.63 0.00 -0.08 0.00 3.41 -0.89 -3.14 113.62 109.29 1wmr n SER 545 Ca -0.05 0.63 -0.12 0.00 -0.26 0.00 0.00 58.87 59.07 1wmr n SER 545 Cb 0.86 -0.13 -0.07 0.00 -0.26 0.00 0.00 64.21 64.61 1wmr n SER 545 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1wmr h VAL 546 N 0.00 0.68 0.00 -3.33 2.07 -1.64 -3.36 116.25 110.67 1wmr h VAL 546 Ca 0.00 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 65.83 1wmr h VAL 546 Cb 0.00 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1wmr h VAL 546 CO 0.00 0.23 0.40 1.23 0.02 0.00 0.00 177.57 179.46 1wmr h GLY 547 N -1.00 0.00 -3.23 2.17 0.00 -1.44 -3.45 103.07 96.12 1wmr h GLY 547 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 46.80 1wmr h GLY 547 CO -0.08 0.00 -0.53 0.54 0.00 0.00 0.00 176.54 176.47 1wmr n ARG 548 N -2.62 -2.09 -3.05 4.80 1.74 -0.65 -4.82 116.66 109.97 1wmr n ARG 548 Ca -0.01 0.98 -0.45 0.00 -0.77 0.00 0.00 57.85 57.60 1wmr n ARG 548 Cb 0.44 -5.67 -0.03 0.00 -1.02 0.00 0.00 32.46 26.18 1wmr n ARG 548 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1wmr s ILE 549 N -3.04 4.94 -0.14 0.55 1.01 -0.86 -2.31 121.20 121.36 1wmr s ILE 549 Ca 0.04 -1.67 0.06 0.00 0.00 0.00 0.00 60.65 59.07 1wmr s ILE 549 Cb -0.02 -4.66 -0.12 0.00 0.01 0.00 0.00 42.46 37.67 1wmr s ILE 549 CO 0.05 -1.34 -0.05 0.47 0.00 0.00 0.00 174.94 174.06 1wmr n ASP 550 N 5.94 2.47 0.00 3.58 10.43 -1.19 -3.76 116.55 134.02 1wmr n ASP 550 Ca 0.16 -0.04 0.05 0.00 2.57 0.00 0.00 54.79 57.53 1wmr n ASP 550 Cb 0.48 0.24 0.32 0.00 1.84 0.00 0.00 41.12 44.00 1wmr n ASP 550 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1wmr n GLY 551 N 2.54 -0.78 3.66 0.44 0.00 0.24 -4.86 105.19 106.42 1wmr n GLY 551 Ca -0.23 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 1wmr n GLY 551 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wmr s VAL 552 N -2.00 3.35 0.33 1.61 1.01 -1.26 -1.69 120.40 121.76 1wmr s VAL 552 Ca 0.16 0.43 -0.29 0.00 0.00 0.00 0.00 61.98 62.28 1wmr s VAL 552 Cb 0.07 -3.28 -0.11 0.00 0.00 0.00 0.00 36.38 33.06 1wmr s VAL 552 CO 0.12 -0.04 1.56 -0.62 0.00 0.00 0.00 175.10 176.12 1wmr s ASP 553 N 3.86 6.33 0.56 3.32 2.15 -0.52 -4.74 116.67 127.62 1wmr s ASP 553 Ca 0.80 3.02 0.28 0.00 0.43 0.00 0.00 52.55 57.08 1wmr s ASP 553 Cb -0.37 -2.65 1.48 0.00 -0.30 0.00 0.00 42.92 41.08 1wmr s ASP 553 CO 0.34 -0.92 1.96 1.55 -0.17 0.00 0.00 175.17 177.93 1wmr h PRO 554 N 3.99 0.00 0.00 4.34 0.13 -1.91 0.45 132.00 139.01 1wmr h PRO 554 Ca -0.49 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1wmr h PRO 554 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1wmr h PRO 554 CO 0.73 0.00 -0.00 0.00 -0.23 0.00 0.00 178.00 178.49 1wmr h ALA 555 N 1.61 1.00 0.00 -0.56 0.00 -1.96 -3.11 119.26 116.25 1wmr h ALA 555 Ca 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1wmr h ALA 555 Cb 1.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1wmr h ALA 555 CO -0.00 0.00 -1.25 0.66 0.00 0.00 0.00 179.25 178.66 1wmr n TYR 556 N -3.09 0.00 -0.33 0.00 0.53 0.14 -4.66 117.16 109.74 1wmr n TYR 556 Ca 0.00 0.00 0.22 0.00 -1.02 0.00 0.00 57.90 57.10 1wmr n TYR 556 Cb 0.30 -0.19 0.41 0.00 -1.03 0.00 0.00 39.34 38.83 1wmr n TYR 556 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1wmr n ALA 557 N -1.73 0.72 0.39 -0.72 0.00 -0.15 0.14 120.51 119.16 1wmr n ALA 557 Ca -0.01 1.05 0.11 0.00 0.00 0.00 0.00 53.44 54.59 1wmr n ALA 557 Cb 0.27 -0.88 0.48 0.00 0.00 0.00 0.00 19.45 19.32 1wmr n ALA 557 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wmr n GLY 558 N -1.40 -1.22 0.02 0.00 0.00 -1.26 -2.57 105.19 98.77 1wmr n GLY 558 Ca 0.29 0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.50 1wmr n GLY 558 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wmr n SER 559 N -2.16 0.63 -4.52 1.61 7.64 0.38 -4.82 113.62 112.39 1wmr n SER 559 Ca 0.02 -0.31 -0.42 0.00 1.01 0.00 0.00 58.87 59.17 1wmr n SER 559 Cb 0.21 0.80 -0.09 0.00 -1.01 0.00 0.00 64.21 64.12 1wmr n SER 559 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1wmr s VAL 560 N -3.16 5.13 -0.15 0.44 -7.23 -1.06 -1.30 120.40 113.06 1wmr s VAL 560 Ca 0.05 -0.12 -0.01 0.00 -1.81 0.00 0.00 61.98 60.09 1wmr s VAL 560 Cb 0.15 -3.92 -0.01 0.00 0.56 0.00 0.00 36.38 33.15 1wmr s VAL 560 CO 0.80 -0.24 -0.11 -1.00 -0.31 0.00 0.00 175.10 174.24 1wmr s HIS 561 N 2.08 2.86 -0.89 2.82 3.76 -0.18 -4.98 115.29 120.76 1wmr s HIS 561 Ca 0.12 -0.71 -0.16 0.00 -0.15 0.00 0.00 55.06 54.17 1wmr s HIS 561 Cb -0.17 -1.91 0.19 0.00 1.11 0.00 0.00 32.58 31.80 1wmr s HIS 561 CO 0.13 -0.28 0.93 0.71 -0.85 0.00 0.00 174.74 175.37 1wmr s TYR 562 N 0.62 3.55 0.15 1.40 1.51 -1.26 -0.44 117.35 122.88 1wmr s TYR 562 Ca -0.06 -1.81 -0.15 0.00 -1.01 0.00 0.00 57.07 54.04 1wmr s TYR 562 Cb -0.15 -4.00 -0.07 0.00 -0.11 0.00 0.00 41.96 37.63 1wmr s TYR 562 CO 0.03 -1.18 0.56 0.96 -1.11 0.00 0.00 175.55 174.81 1wmr s ILE 563 N 1.05 4.84 -2.85 2.71 -4.36 -1.01 -4.59 121.20 116.99 1wmr s ILE 563 Ca 0.24 0.85 0.25 0.00 -0.26 0.00 0.00 60.65 61.74 1wmr s ILE 563 Cb -0.08 -3.74 0.30 0.00 1.25 0.00 0.00 42.46 40.19 1wmr s ILE 563 CO -0.09 0.23 1.41 -0.67 0.24 0.00 0.00 174.94 176.06