#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wr1 s GLN 6 N 0.00 0.94 -0.02 -1.24 -2.07 -0.47 -1.10 119.66 115.70 2wr1 s GLN 6 Ca 0.00 -0.44 0.01 0.00 -1.82 0.00 0.00 55.36 53.11 2wr1 s GLN 6 Cb 0.00 0.42 0.01 0.00 -1.09 0.00 0.00 33.01 32.35 2wr1 s GLN 6 CO 0.00 -0.33 -0.03 -1.50 -1.32 0.00 0.00 175.29 172.11 2wr1 s ILE 7 N -2.74 0.34 0.07 3.63 2.07 -0.69 -0.91 121.20 122.96 2wr1 s ILE 7 Ca -0.04 -0.10 0.09 0.00 -1.41 0.00 0.00 60.65 59.20 2wr1 s ILE 7 Cb -0.00 -0.34 -0.03 0.00 0.13 0.00 0.00 42.46 42.21 2wr1 s ILE 7 CO -0.04 0.14 -0.26 0.00 -1.91 0.00 0.00 174.94 172.86 2wr1 s ILE 9 N -0.87 5.09 0.17 0.00 1.09 0.11 -0.45 121.20 126.34 2wr1 s ILE 9 Ca 0.12 0.06 -0.05 0.00 -1.10 0.00 0.00 60.65 59.67 2wr1 s ILE 9 Cb -0.10 -3.23 0.02 0.00 -1.06 0.00 0.00 42.46 38.09 2wr1 s ILE 9 CO 0.03 0.56 0.32 0.61 -0.10 0.00 0.00 174.94 176.36 2wr1 n GLY 10 N 2.57 1.78 3.08 6.18 0.00 0.01 -4.71 105.19 114.10 2wr1 n GLY 10 Ca -0.18 -1.20 -0.08 0.00 0.00 0.00 0.00 46.02 44.56 2wr1 n GLY 10 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wr1 s TYR 11 N -5.57 0.53 0.27 1.61 -0.85 -1.26 -1.27 117.35 110.80 2wr1 s TYR 11 Ca 0.08 -0.96 -0.29 0.00 -0.52 0.00 0.00 57.07 55.38 2wr1 s TYR 11 Cb -0.02 -0.38 -0.10 0.00 0.38 0.00 0.00 41.96 41.85 2wr1 s TYR 11 CO 0.06 -0.32 1.30 -1.58 -1.52 0.00 0.00 175.55 173.49 2wr1 s HIS 12 N -3.45 3.18 0.22 -3.49 5.65 -0.05 0.07 115.29 117.43 2wr1 s HIS 12 Ca 0.04 1.34 0.07 0.00 0.25 0.00 0.00 55.06 56.76 2wr1 s HIS 12 Cb 0.05 -3.62 -0.05 0.00 -1.18 0.00 0.00 32.58 27.78 2wr1 s HIS 12 CO -0.08 -1.79 -0.11 0.00 -0.65 0.00 0.00 174.74 172.11 2wr1 s ALA 13 N -0.58 2.05 0.00 1.58 0.00 -0.98 -4.54 121.76 119.29 2wr1 s ALA 13 Ca 0.52 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.77 2wr1 s ALA 13 Cb -0.38 0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.76 2wr1 s ALA 13 CO 0.45 0.01 0.00 0.27 0.00 0.00 0.00 175.76 176.49 2wr1 n ASN 14 N -0.42 0.00 -1.07 0.00 0.23 -1.26 -3.92 115.26 108.82 2wr1 n ASN 14 Ca -0.07 -0.74 0.07 0.00 -0.53 0.00 0.00 54.58 53.31 2wr1 n ASN 14 Cb 0.61 0.00 0.24 0.00 -2.08 0.00 0.00 39.78 38.55 2wr1 n ASN 14 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2wr1 n ASN 15 N -1.17 3.12 -4.75 0.53 0.23 -1.26 -4.69 115.26 107.27 2wr1 n ASN 15 Ca 0.00 -2.17 -0.42 0.00 -0.53 0.00 0.00 54.58 51.47 2wr1 n ASN 15 Cb 0.00 -0.42 -0.01 0.00 -2.08 0.00 0.00 39.78 37.28 2wr1 n ASN 15 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2wr1 n SER 16 N 0.84 3.59 -0.04 0.53 2.88 -1.26 -4.92 113.62 115.25 2wr1 n SER 16 Ca 0.18 1.21 0.03 0.00 -1.33 0.00 0.00 58.87 58.96 2wr1 n SER 16 Cb 0.55 -1.58 0.05 0.00 -0.75 0.00 0.00 64.21 62.48 2wr1 n SER 16 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2wr1 n THR 17 N 0.80 1.24 -1.76 2.46 -2.24 -1.26 -4.81 114.28 108.72 2wr1 n THR 17 Ca 0.04 -1.37 -0.42 0.00 -2.27 0.00 0.00 64.05 60.03 2wr1 n THR 17 Cb 0.38 0.27 -0.01 0.00 -2.10 0.00 0.00 70.33 68.86 2wr1 n THR 17 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wr1 n GLU 18 N -0.79 2.64 -5.03 -0.78 -0.58 -1.26 -4.89 120.64 109.94 2wr1 n GLU 18 Ca 0.06 0.93 -0.32 0.00 -0.42 0.00 0.00 57.16 57.41 2wr1 n GLU 18 Cb 0.40 -2.68 -0.14 0.00 -0.57 0.00 0.00 31.44 28.46 2wr1 n GLU 18 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2wr1 s LYS 19 N -1.37 2.40 0.24 3.49 -0.14 -1.26 -1.65 119.74 121.45 2wr1 s LYS 19 Ca 0.58 -0.78 0.06 0.00 -1.36 0.00 0.00 55.97 54.47 2wr1 s LYS 19 Cb -0.49 -2.27 -0.05 0.00 -1.68 0.00 0.00 37.83 33.33 2wr1 s LYS 19 CO 0.57 0.59 -0.07 0.14 -0.76 0.00 0.00 175.35 175.82 2wr1 s VAL 20 N -0.65 1.46 0.18 3.17 -7.23 -0.03 -4.91 120.40 112.39 2wr1 s VAL 20 Ca 0.10 -2.11 0.05 0.00 -1.81 0.00 0.00 61.98 58.21 2wr1 s VAL 20 Cb -0.11 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 2wr1 s VAL 20 CO 0.00 -0.42 0.14 -1.81 -0.31 0.00 0.00 175.10 172.71 2wr1 s ASP 21 N -3.35 5.52 0.26 4.85 1.01 -1.26 -0.45 116.67 123.25 2wr1 s ASP 21 Ca 0.26 -0.14 0.02 0.00 0.71 0.00 0.00 52.55 53.40 2wr1 s ASP 21 Cb 0.03 -1.44 -0.05 0.00 1.01 0.00 0.00 42.92 42.47 2wr1 s ASP 21 CO 0.09 0.05 0.07 0.42 0.21 0.00 0.00 175.17 176.01 2wr1 s THR 22 N -1.80 0.76 0.37 -1.27 -4.23 0.64 -4.57 115.64 105.54 2wr1 s THR 22 Ca 0.31 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.91 2wr1 s THR 22 Cb -0.10 -2.60 0.32 0.00 1.34 0.00 0.00 72.50 71.46 2wr1 s THR 22 CO 0.24 -0.07 1.89 0.40 -0.54 0.00 0.00 174.62 176.53 2wr1 h ILE 23 N 2.36 0.86 0.00 2.99 1.08 -1.86 -2.95 117.51 119.99 2wr1 h ILE 23 Ca -0.39 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 63.86 2wr1 h ILE 23 Cb 1.24 0.14 0.00 0.00 -3.07 0.00 0.00 36.82 35.13 2wr1 h ILE 23 CO 0.63 0.12 -1.43 0.18 -0.69 0.00 0.00 178.15 176.97 2wr1 n LEU 24 N -4.53 0.44 -3.71 1.44 4.77 -1.26 -4.99 117.00 109.16 2wr1 n LEU 24 Ca 0.16 0.07 -0.13 0.00 -0.03 0.00 0.00 56.01 56.07 2wr1 n LEU 24 Cb 0.44 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.40 2wr1 n LEU 24 CO 0.31 -0.03 0.15 -0.70 -1.33 0.00 0.00 177.39 175.78 2wr1 s GLU 25 N -3.37 0.58 0.13 3.23 2.12 -1.11 -5.17 118.70 115.10 2wr1 s GLU 25 Ca -0.02 0.56 0.05 0.00 0.36 0.00 0.00 54.97 55.91 2wr1 s GLU 25 Cb 0.13 0.28 -0.04 0.00 0.26 0.00 0.00 34.13 34.76 2wr1 s GLU 25 CO 0.85 -0.09 0.09 1.03 -0.54 0.00 0.00 175.26 176.60 2wr1 s ARG 26 N 0.04 2.82 -1.27 4.30 1.81 -1.26 -0.26 118.95 125.14 2wr1 s ARG 26 Ca -0.02 -0.83 -0.03 0.00 -1.72 0.00 0.00 55.73 53.14 2wr1 s ARG 26 Cb -0.03 -2.64 -0.01 0.00 -0.45 0.00 0.00 34.95 31.82 2wr1 s ARG 26 CO 0.01 0.51 0.73 0.09 -0.68 0.00 0.00 175.30 175.97 2wr1 n ASN 27 N 0.03 -2.08 -4.69 0.23 3.02 -1.01 -4.95 115.26 105.80 2wr1 n ASN 27 Ca -0.09 -0.83 -0.41 0.00 -0.03 0.00 0.00 54.58 53.22 2wr1 n ASN 27 Cb 0.53 -4.07 -0.04 0.00 -0.61 0.00 0.00 39.78 35.59 2wr1 n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wr1 s VAL 28 N -3.62 4.97 -0.04 2.41 1.01 0.40 -4.82 120.40 120.71 2wr1 s VAL 28 Ca 0.09 1.54 -0.30 0.00 0.00 0.00 0.00 61.98 63.32 2wr1 s VAL 28 Cb -0.03 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 2wr1 s VAL 28 CO 0.81 0.15 1.02 -0.89 0.00 0.00 0.00 175.10 176.19 2wr1 s THR 29 N 1.42 4.73 0.24 3.92 2.01 -1.26 -0.85 115.64 125.85 2wr1 s THR 29 Ca 0.38 1.98 0.09 0.00 0.31 0.00 0.00 61.69 64.44 2wr1 s THR 29 Cb -0.17 -4.27 -0.05 0.00 0.01 0.00 0.00 72.50 68.02 2wr1 s THR 29 CO 0.16 0.09 -0.14 0.68 -0.69 0.00 0.00 174.62 174.72 2wr1 s VAL 30 N 1.47 1.91 0.08 3.82 -7.23 -0.66 -0.25 120.40 119.54 2wr1 s VAL 30 Ca 0.51 -2.24 0.08 0.00 -1.81 0.00 0.00 61.98 58.52 2wr1 s VAL 30 Cb -0.21 -2.19 -0.20 0.00 0.56 0.00 0.00 36.38 34.34 2wr1 s VAL 30 CO 0.24 -0.49 1.17 0.71 -0.31 0.00 0.00 175.10 176.42 2wr1 h THR 31 N 2.43 1.52 -3.16 5.32 1.35 -1.32 -3.38 112.91 115.67 2wr1 h THR 31 Ca -0.39 -3.24 -0.13 0.00 -0.55 0.00 0.00 66.41 62.10 2wr1 h THR 31 Cb 1.23 2.75 -0.22 0.00 -1.73 0.00 0.00 68.15 70.18 2wr1 h THR 31 CO 0.63 0.86 -0.36 -1.00 -0.25 0.00 0.00 175.52 175.40 2wr1 s HIS 32 N -2.70 -0.16 0.13 4.73 3.76 -1.26 -4.74 115.29 115.05 2wr1 s HIS 32 Ca 0.00 0.30 -0.10 0.00 -0.15 0.00 0.00 55.06 55.11 2wr1 s HIS 32 Cb 0.10 0.06 0.00 0.00 1.11 0.00 0.00 32.58 33.85 2wr1 s HIS 32 CO 0.82 -0.30 0.27 0.00 -0.85 0.00 0.00 174.74 174.68 2wr1 s ALA 33 N -0.95 -0.22 -0.05 -1.40 0.00 -1.26 -1.26 121.76 116.62 2wr1 s ALA 33 Ca -0.10 -0.67 -0.01 0.00 0.00 0.00 0.00 51.96 51.18 2wr1 s ALA 33 Cb -0.05 0.70 0.03 0.00 0.00 0.00 0.00 23.12 23.80 2wr1 s ALA 33 CO 0.03 -0.60 0.03 0.21 0.00 0.00 0.00 175.76 175.43 2wr1 s LYS 34 N -3.91 0.20 -0.07 0.00 2.20 0.33 -4.84 119.74 113.64 2wr1 s LYS 34 Ca 0.11 0.24 -0.30 0.00 -0.36 0.00 0.00 55.97 55.66 2wr1 s LYS 34 Cb 0.04 -0.64 -0.02 0.00 -1.51 0.00 0.00 37.83 35.69 2wr1 s LYS 34 CO -0.06 -0.28 1.05 0.34 -0.36 0.00 0.00 175.35 176.04 2wr1 s ASP 35 N 1.89 7.21 -0.11 1.43 -1.08 -1.26 -0.49 116.67 124.26 2wr1 s ASP 35 Ca 0.02 1.63 0.18 0.00 -0.52 0.00 0.00 52.55 53.86 2wr1 s ASP 35 Cb -0.12 -2.56 0.69 0.00 -1.46 0.00 0.00 42.92 39.47 2wr1 s ASP 35 CO -0.04 -0.45 1.61 2.30 0.52 0.00 0.00 175.17 179.11 2wr1 n ILE 36 N 4.44 1.85 -3.72 4.11 -5.35 -0.10 -4.88 119.36 115.72 2wr1 n ILE 36 Ca 0.09 -1.24 -0.38 0.00 -0.27 0.00 0.00 62.75 60.95 2wr1 n ILE 36 Cb 0.48 0.11 -0.12 0.00 -1.74 0.00 0.00 39.64 38.38 2wr1 n ILE 36 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2wr1 s LEU 37 N -1.89 4.22 -0.25 7.28 2.96 -1.25 -3.49 118.68 126.26 2wr1 s LEU 37 Ca 0.49 -0.91 -0.29 0.00 -0.22 0.00 0.00 54.13 53.20 2wr1 s LEU 37 Cb 0.32 -1.91 -0.01 0.00 0.50 0.00 0.00 46.19 45.08 2wr1 s LEU 37 CO 0.23 -0.28 1.47 -0.70 -1.32 0.00 0.00 176.35 175.74 2wr1 s GLU 38 N 1.48 3.88 0.00 1.98 2.56 0.41 -4.88 118.70 124.14 2wr1 s GLU 38 Ca 0.01 1.50 0.04 0.00 0.00 0.00 0.00 54.97 56.53 2wr1 s GLU 38 Cb -0.18 -3.95 -0.02 0.00 2.00 0.00 0.00 34.13 31.97 2wr1 s GLU 38 CO 0.04 -1.18 0.32 1.63 -0.56 0.00 0.00 175.26 175.51 2wr1 n LYS 39 N 7.44 3.80 -4.17 4.30 5.02 -1.26 -2.67 118.16 130.62 2wr1 n LYS 39 Ca 0.17 -0.24 -0.27 0.00 -2.02 0.00 0.00 58.31 55.95 2wr1 n LYS 39 Cb 0.46 -0.82 -0.07 0.00 -0.02 0.00 0.00 35.03 34.57 2wr1 n LYS 39 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wr1 s THR 40 N -1.10 3.92 0.13 -0.18 -4.23 -1.26 -4.87 115.64 108.06 2wr1 s THR 40 Ca 0.03 -1.26 -0.03 0.00 -1.18 0.00 0.00 61.69 59.24 2wr1 s THR 40 Cb 0.03 -2.95 -0.03 0.00 1.34 0.00 0.00 72.50 70.89 2wr1 s THR 40 CO 0.14 -0.06 0.12 -1.38 -0.54 0.00 0.00 174.62 172.90 2wr1 s HIS 41 N -1.63 0.70 -2.24 3.99 -3.43 -1.26 -4.77 115.29 106.65 2wr1 s HIS 41 Ca 0.28 -1.09 0.20 0.00 -0.80 0.00 0.00 55.06 53.65 2wr1 s HIS 41 Cb -0.10 -0.35 0.55 0.00 -1.43 0.00 0.00 32.58 31.25 2wr1 s HIS 41 CO 0.19 -0.57 1.44 0.27 -2.00 0.00 0.00 174.74 174.08 2wr1 n ASN 42 N -0.11 2.54 0.00 7.38 0.23 -0.83 -4.92 115.26 119.55 2wr1 n ASN 42 Ca -0.07 -1.89 0.00 0.00 -0.53 0.00 0.00 54.58 52.09 2wr1 n ASN 42 Cb 0.63 -0.23 0.00 0.00 -2.08 0.00 0.00 39.78 38.11 2wr1 n ASN 42 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wr1 n GLY 43 N 1.30 0.42 3.55 4.83 0.00 -1.26 -4.87 105.19 109.16 2wr1 n GLY 43 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 2wr1 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wr1 s LYS 44 N -0.65 1.98 -0.19 1.61 1.02 -1.26 -4.75 119.74 117.50 2wr1 s LYS 44 Ca 0.00 -1.27 -0.14 0.00 0.02 0.00 0.00 55.97 54.58 2wr1 s LYS 44 Cb 0.00 -2.13 -0.04 0.00 -0.52 0.00 0.00 37.83 35.13 2wr1 s LYS 44 CO 0.00 0.44 0.31 -1.17 -0.92 0.00 0.00 175.35 174.01 2wr1 s LEU 45 N -2.70 4.18 0.40 3.17 1.98 -1.26 -1.92 118.68 122.52 2wr1 s LEU 45 Ca 0.24 0.43 0.05 0.00 -2.89 0.00 0.00 54.13 51.96 2wr1 s LEU 45 Cb -0.09 -2.38 -0.06 0.00 0.66 0.00 0.00 46.19 44.32 2wr1 s LEU 45 CO 0.14 0.02 0.03 0.00 -1.89 0.00 0.00 176.35 174.65 2wr1 s ARG 47 N -3.79 3.85 -0.35 0.00 0.52 -0.32 -4.59 118.95 114.29 2wr1 s ARG 47 Ca 0.31 1.34 -0.03 0.00 -0.52 0.00 0.00 55.73 56.84 2wr1 s ARG 47 Cb 0.08 -2.11 0.07 0.00 0.52 0.00 0.00 34.95 33.51 2wr1 s ARG 47 CO 0.15 -0.38 0.09 -1.17 0.02 0.00 0.00 175.30 174.01 2wr1 s LEU 48 N -3.43 4.47 -1.30 2.53 2.96 -0.03 -1.70 118.68 122.18 2wr1 s LEU 48 Ca 0.67 -1.56 -0.04 0.00 -0.22 0.00 0.00 54.13 52.98 2wr1 s LEU 48 Cb -0.16 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.77 2wr1 s LEU 48 CO 0.19 -0.38 1.01 -1.20 -1.32 0.00 0.00 176.35 174.66 2wr1 n SER 49 N 4.63 -3.57 0.00 3.68 7.64 -1.03 -2.03 113.62 122.95 2wr1 n SER 49 Ca -0.09 -0.64 0.00 0.00 1.01 0.00 0.00 58.87 59.15 2wr1 n SER 49 Cb 0.43 -4.81 0.00 0.00 -1.01 0.00 0.00 64.21 58.82 2wr1 n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wr1 n GLY 50 N -1.54 2.81 3.39 0.23 0.00 -1.26 -4.99 105.19 103.82 2wr1 n GLY 50 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 2wr1 n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wr1 s ILE 51 N -3.03 3.68 0.71 -0.61 1.01 -0.86 -5.01 121.20 117.09 2wr1 s ILE 51 Ca 0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 60.65 60.13 2wr1 s ILE 51 Cb 0.00 -2.67 0.02 0.00 0.01 0.00 0.00 42.46 39.83 2wr1 s ILE 51 CO 0.00 0.42 1.09 -2.16 0.00 0.00 0.00 174.94 174.29 2wr1 s PRO 52 N 1.20 2.62 0.52 2.79 0.05 -1.26 -0.85 135.00 140.07 2wr1 s PRO 52 Ca 0.03 1.19 -0.19 0.00 0.05 0.00 0.00 61.00 62.08 2wr1 s PRO 52 Cb -0.14 -1.94 -0.07 0.00 0.05 0.00 0.00 34.50 32.39 2wr1 s PRO 52 CO 0.00 -1.36 1.04 -1.25 0.05 0.00 0.00 177.00 175.48 2wr1 s PRO 53 N -4.64 3.68 -0.05 0.56 0.05 -1.26 -2.14 135.00 131.19 2wr1 s PRO 53 Ca 0.62 1.29 -0.30 0.00 0.05 0.00 0.00 61.00 62.66 2wr1 s PRO 53 Cb -0.17 -2.08 -0.04 0.00 0.05 0.00 0.00 34.50 32.26 2wr1 s PRO 53 CO 0.50 -0.52 1.25 -1.17 0.05 0.00 0.00 177.00 177.12 2wr1 s LEU 54 N -3.81 4.28 -0.38 -3.56 2.96 -0.77 -4.92 118.68 112.48 2wr1 s LEU 54 Ca 0.66 1.88 -0.10 0.00 -0.22 0.00 0.00 54.13 56.34 2wr1 s LEU 54 Cb -0.16 -3.56 0.04 0.00 0.50 0.00 0.00 46.19 43.01 2wr1 s LEU 54 CO 0.25 -0.63 0.21 -1.61 -1.32 0.00 0.00 176.35 173.25 2wr1 s GLU 55 N 2.38 2.76 0.00 1.98 2.02 -1.26 -0.29 118.70 126.29 2wr1 s GLU 55 Ca 0.58 -1.16 0.24 0.00 0.02 0.00 0.00 54.97 54.64 2wr1 s GLU 55 Cb -0.26 -3.72 0.27 0.00 0.10 0.00 0.00 34.13 30.52 2wr1 s GLU 55 CO 0.22 -0.75 1.25 1.28 0.02 0.00 0.00 175.26 177.28 2wr1 n LEU 56 N 4.97 0.65 0.00 1.80 4.77 0.31 -4.95 117.00 124.56 2wr1 n LEU 56 Ca -0.12 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 2wr1 n LEU 56 Cb 0.45 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2wr1 n LEU 56 CO 0.37 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 2wr1 n GLY 57 N 1.49 3.37 1.81 -0.72 0.00 -1.25 -1.66 105.19 108.23 2wr1 n GLY 57 Ca 0.05 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 2wr1 n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wr1 n ASP 58 N 6.02 4.00 -4.90 1.61 5.68 -1.26 -1.98 116.55 125.72 2wr1 n ASP 58 Ca 0.00 -3.42 -0.33 0.00 -0.50 0.00 0.00 54.79 50.54 2wr1 n ASP 58 Cb 0.00 -0.73 -0.05 0.00 -1.14 0.00 0.00 41.12 39.20 2wr1 n ASP 58 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wr1 s SER 60 N -2.16 5.38 0.20 0.00 1.04 0.16 -4.85 113.70 113.47 2wr1 s SER 60 Ca 0.33 0.45 -0.08 0.00 0.48 0.00 0.00 55.95 57.13 2wr1 s SER 60 Cb -0.13 -1.38 0.12 0.00 0.10 0.00 0.00 66.02 64.74 2wr1 s SER 60 CO 0.22 -1.15 1.72 0.40 0.98 0.00 0.00 173.24 175.41 2wr1 h ILE 61 N -0.14 1.26 -0.46 -1.02 2.04 -1.98 0.50 117.51 117.71 2wr1 h ILE 61 Ca -0.45 -0.99 0.07 0.00 1.00 0.00 0.00 64.86 64.50 2wr1 h ILE 61 Cb 1.28 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 37.84 2wr1 h ILE 61 CO 0.58 0.38 0.13 0.00 0.00 0.00 0.00 178.15 179.25 2wr1 h ALA 62 N 1.09 0.54 -0.67 1.87 0.00 -1.94 0.27 119.26 120.42 2wr1 h ALA 62 Ca 0.22 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 2wr1 h ALA 62 Cb 0.38 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2wr1 h ALA 62 CO 0.00 -0.26 0.19 0.78 0.00 0.00 0.00 179.25 179.96 2wr1 h GLY 63 N 0.29 1.14 0.69 0.00 0.00 -1.47 -0.72 103.07 103.00 2wr1 h GLY 63 Ca 0.22 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 2wr1 h GLY 63 CO -0.26 0.65 -0.07 -0.25 0.00 0.00 0.00 176.54 176.61 2wr1 h TRP 64 N 0.99 -0.18 -0.38 5.60 7.01 -0.55 0.32 115.95 128.76 2wr1 h TRP 64 Ca 0.22 -0.00 -0.06 0.00 2.11 0.00 0.00 58.89 61.15 2wr1 h TRP 64 Cb 0.33 0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.43 2wr1 h TRP 64 CO 0.02 0.14 0.01 -0.07 -2.79 0.00 0.00 178.44 175.75 2wr1 h LEU 65 N -0.50 0.65 -1.32 0.65 3.38 -0.76 -2.84 115.31 114.56 2wr1 h LEU 65 Ca -0.02 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 2wr1 h LEU 65 Cb 0.39 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2wr1 h LEU 65 CO 0.03 0.79 -0.11 -0.07 0.09 0.00 0.00 178.44 179.17 2wr1 h LEU 66 N 0.49 0.31 -0.69 1.67 3.38 -1.22 -3.44 115.31 115.80 2wr1 h LEU 66 Ca 0.11 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2wr1 h LEU 66 Cb 0.45 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2wr1 h LEU 66 CO 0.02 0.45 0.00 0.61 0.09 0.00 0.00 178.44 179.61 2wr1 n GLY 67 N -0.84 0.81 3.69 0.83 0.00 -0.72 -0.62 105.19 108.34 2wr1 n GLY 67 Ca -0.00 -0.31 -0.55 0.00 0.00 0.00 0.00 46.02 45.15 2wr1 n GLY 67 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wr1 n ASN 68 N 0.33 2.48 -0.04 1.61 2.85 0.02 -0.05 115.26 122.46 2wr1 n ASN 68 Ca 0.00 1.06 0.24 0.00 -0.11 0.00 0.00 54.58 55.77 2wr1 n ASN 68 Cb 0.26 -1.19 0.72 0.00 1.24 0.00 0.00 39.78 40.81 2wr1 n ASN 68 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2wr1 h PRO 69 N 7.19 0.00 0.00 1.20 0.11 -1.88 0.42 132.00 139.03 2wr1 h PRO 69 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2wr1 h PRO 69 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2wr1 h PRO 69 CO 0.94 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.12 2wr1 n GLU 70 N -4.06 0.03 -0.07 1.05 -0.58 -1.26 -2.24 120.64 113.50 2wr1 n GLU 70 Ca 0.13 0.30 0.11 0.00 -0.42 0.00 0.00 57.16 57.27 2wr1 n GLU 70 Cb 0.78 -1.55 0.13 0.00 -0.57 0.00 0.00 31.44 30.23 2wr1 n GLU 70 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wr1 h ASP 72 N 4.07 -0.52 -1.34 0.00 5.19 -1.52 0.30 116.42 122.59 2wr1 h ASP 72 Ca 0.00 0.21 -0.62 0.00 -0.62 0.00 0.00 57.03 56.00 2wr1 h ASP 72 Cb 0.89 0.40 -0.19 0.00 0.18 0.00 0.00 39.33 40.61 2wr1 h ASP 72 CO 0.00 -0.22 0.95 0.54 -3.12 0.00 0.00 179.24 177.40 2wr1 n ARG 73 N -5.42 3.12 0.15 3.56 1.74 -1.26 -4.60 116.66 113.95 2wr1 n ARG 73 Ca 0.12 -2.95 0.02 0.00 -0.77 0.00 0.00 57.85 54.27 2wr1 n ARG 73 Cb 0.43 -2.29 0.20 0.00 -1.02 0.00 0.00 32.46 29.78 2wr1 n ARG 73 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2wr1 h LEU 74 N 4.10 0.00 -2.41 0.55 5.85 -1.31 -3.48 115.31 118.60 2wr1 h LEU 74 Ca 0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.22 2wr1 h LEU 74 Cb 0.48 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.51 2wr1 h LEU 74 CO 1.12 0.52 -0.43 -0.11 -0.34 0.00 0.00 178.44 179.20 2wr1 n LEU 75 N -3.51 -6.83 -4.74 2.25 0.00 -1.26 -4.90 117.00 98.00 2wr1 n LEU 75 Ca -0.00 0.48 -0.39 0.00 0.00 0.00 0.00 56.01 56.09 2wr1 n LEU 75 Cb 0.62 -2.95 -0.05 0.00 0.00 0.00 0.00 43.42 41.04 2wr1 n LEU 75 CO 0.40 -1.96 0.39 -0.94 0.00 0.00 0.00 177.39 175.28 2wr1 s SER 76 N -2.24 7.06 0.29 1.96 1.04 -1.26 -4.82 113.70 115.73 2wr1 s SER 76 Ca 0.19 1.27 -0.01 0.00 0.48 0.00 0.00 55.95 57.88 2wr1 s SER 76 Cb -0.05 -2.42 -0.04 0.00 0.10 0.00 0.00 66.02 63.61 2wr1 s SER 76 CO 0.62 0.00 0.50 0.68 0.98 0.00 0.00 173.24 176.03 2wr1 s VAL 77 N 0.18 5.12 0.34 5.02 -7.23 -1.26 -5.00 120.40 117.57 2wr1 s VAL 77 Ca 0.36 -0.36 0.15 0.00 -1.81 0.00 0.00 61.98 60.31 2wr1 s VAL 77 Cb -0.19 -3.81 0.11 0.00 0.56 0.00 0.00 36.38 33.05 2wr1 s VAL 77 CO 0.19 -0.41 1.82 1.55 -0.31 0.00 0.00 175.10 177.95 2wr1 h PRO 78 N 1.26 0.00 -3.29 4.82 0.13 -1.95 -3.45 132.00 129.52 2wr1 h PRO 78 Ca -0.49 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.46 2wr1 h PRO 78 Cb 1.21 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.08 2wr1 h PRO 78 CO 0.64 0.37 -0.49 -2.00 -0.23 0.00 0.00 178.00 176.28 2wr1 s GLU 79 N -4.07 0.24 0.06 0.86 2.12 -1.26 -2.76 118.70 113.88 2wr1 s GLU 79 Ca -0.02 0.22 -0.19 0.00 0.36 0.00 0.00 54.97 55.34 2wr1 s GLU 79 Cb 0.14 0.11 0.04 0.00 0.26 0.00 0.00 34.13 34.68 2wr1 s GLU 79 CO 0.71 -0.03 0.44 1.67 -0.54 0.00 0.00 175.26 177.51 2wr1 s TRP 80 N 0.00 -0.30 -0.19 5.30 -2.14 -0.89 -4.57 118.94 116.16 2wr1 s TRP 80 Ca -0.01 0.22 0.04 0.00 2.66 0.00 0.00 56.10 59.01 2wr1 s TRP 80 Cb -0.02 0.26 -0.04 0.00 -3.10 0.00 0.00 33.47 30.58 2wr1 s TRP 80 CO 0.00 -0.62 0.17 -1.13 -2.66 0.00 0.00 176.95 172.72 2wr1 n SER 81 N 0.32 0.22 -3.28 -2.66 3.41 -0.91 -2.24 113.62 108.48 2wr1 n SER 81 Ca -0.18 -0.61 -0.05 0.00 -0.26 0.00 0.00 58.87 57.77 2wr1 n SER 81 Cb 0.61 0.96 0.01 0.00 -0.26 0.00 0.00 64.21 65.54 2wr1 n SER 81 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2wr1 s TYR 82 N -1.31 0.05 -0.02 7.33 -0.85 -1.23 -4.66 117.35 116.66 2wr1 s TYR 82 Ca 0.02 -0.54 0.06 0.00 -0.52 0.00 0.00 57.07 56.08 2wr1 s TYR 82 Cb 0.03 0.74 -0.01 0.00 0.38 0.00 0.00 41.96 43.10 2wr1 s TYR 82 CO 0.15 -1.15 -0.19 0.42 -1.52 0.00 0.00 175.55 173.26 2wr1 s ILE 83 N -2.43 1.49 -0.15 -3.49 1.01 -1.07 -1.85 121.20 114.72 2wr1 s ILE 83 Ca 0.18 -0.80 -0.01 0.00 0.00 0.00 0.00 60.65 60.02 2wr1 s ILE 83 Cb -0.03 -1.25 -0.01 0.00 0.01 0.00 0.00 42.46 41.17 2wr1 s ILE 83 CO 0.07 0.42 -0.11 -0.69 0.00 0.00 0.00 174.94 174.63 2wr1 s VAL 84 N -0.35 3.10 0.16 2.92 1.01 0.60 0.11 120.40 127.95 2wr1 s VAL 84 Ca 0.05 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.48 2wr1 s VAL 84 Cb -0.08 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 2wr1 s VAL 84 CO -0.00 0.50 -0.17 -1.61 0.00 0.00 0.00 175.10 173.82 2wr1 s GLU 85 N 0.65 1.21 0.79 2.72 2.02 -0.33 -0.53 118.70 125.23 2wr1 s GLU 85 Ca -0.06 -1.38 -0.11 0.00 0.02 0.00 0.00 54.97 53.44 2wr1 s GLU 85 Cb -0.15 -1.19 0.07 0.00 0.10 0.00 0.00 34.13 32.95 2wr1 s GLU 85 CO 0.02 0.23 1.09 0.15 0.02 0.00 0.00 175.26 176.78 2wr1 s LYS 86 N -2.86 2.13 0.13 1.61 1.02 -0.84 -0.88 119.74 120.05 2wr1 s LYS 86 Ca 0.15 0.83 -0.21 0.00 0.02 0.00 0.00 55.97 56.76 2wr1 s LYS 86 Cb -0.05 -1.91 -0.02 0.00 -0.52 0.00 0.00 37.83 35.34 2wr1 s LYS 86 CO 0.06 -1.63 1.68 1.49 -0.92 0.00 0.00 175.35 176.02 2wr1 h GLU 87 N -1.11 -0.11 -2.98 1.68 4.57 -1.90 -3.30 114.58 111.43 2wr1 h GLU 87 Ca -0.46 0.01 -0.61 0.00 -1.18 0.00 0.00 59.36 57.11 2wr1 h GLU 87 Cb 1.25 0.03 -0.40 0.00 -0.16 0.00 0.00 28.75 29.46 2wr1 h GLU 87 CO 0.56 -0.07 -0.72 -0.80 -1.18 0.00 0.00 179.01 176.80 2wr1 s ASN 88 N -5.11 3.70 0.17 1.04 0.01 -1.26 -5.06 114.94 108.42 2wr1 s ASN 88 Ca -0.14 -3.02 -0.33 0.00 -0.71 0.00 0.00 52.86 48.65 2wr1 s ASN 88 Cb 0.11 -1.17 -0.15 0.00 0.41 0.00 0.00 41.25 40.45 2wr1 s ASN 88 CO 0.68 -0.21 1.35 -2.65 -1.51 0.00 0.00 177.10 174.77 2wr1 n PRO 89 N 3.03 1.59 0.07 -0.60 -0.02 -1.24 -4.90 135.00 132.92 2wr1 n PRO 89 Ca 0.14 0.57 0.09 0.00 -2.02 0.00 0.00 63.50 62.28 2wr1 n PRO 89 Cb 0.36 -2.20 -0.05 0.00 -0.02 0.00 0.00 33.50 31.59 2wr1 n PRO 89 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2wr1 n VAL 90 N 2.24 0.63 -3.50 -1.45 0.31 -0.59 -4.79 118.33 111.18 2wr1 n VAL 90 Ca 0.15 -0.57 -0.42 0.00 -0.01 0.00 0.00 64.34 63.49 2wr1 n VAL 90 Cb 0.26 -0.35 -0.09 0.00 -0.91 0.00 0.00 33.84 32.75 2wr1 n VAL 90 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2wr1 s ASN 91 N -5.29 5.88 0.00 4.52 -0.87 0.12 -4.93 114.94 114.38 2wr1 s ASN 91 Ca -0.03 -1.48 0.00 0.00 -1.57 0.00 0.00 52.86 49.78 2wr1 s ASN 91 Cb 0.10 -2.08 0.00 0.00 -0.02 0.00 0.00 41.25 39.25 2wr1 s ASN 91 CO 0.82 -0.61 0.00 0.61 -2.57 0.00 0.00 177.10 175.35 2wr1 n GLY 92 N 5.05 2.91 3.50 0.66 0.00 -1.26 -0.67 105.19 115.38 2wr1 n GLY 92 Ca -0.11 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 2wr1 n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wr1 s LEU 93 N 0.00 3.92 0.11 0.99 1.43 -1.26 -4.24 118.68 119.63 2wr1 s LEU 93 Ca 0.00 -1.01 -0.13 0.00 -1.03 0.00 0.00 54.13 51.95 2wr1 s LEU 93 Cb 0.00 -2.49 -0.08 0.00 0.03 0.00 0.00 46.19 43.66 2wr1 s LEU 93 CO 0.00 -1.54 1.43 0.00 0.23 0.00 0.00 176.35 176.47 2wr1 s TYR 95 N -4.32 3.50 0.71 0.00 5.04 -1.26 -4.55 117.35 116.47 2wr1 s TYR 95 Ca -0.12 1.10 -0.13 0.00 -2.44 0.00 0.00 57.07 55.48 2wr1 s TYR 95 Cb 0.09 -2.77 0.03 0.00 0.35 0.00 0.00 41.96 39.67 2wr1 s TYR 95 CO 0.85 0.02 1.12 -1.25 -1.34 0.00 0.00 175.55 174.95 2wr1 s PRO 96 N 1.13 2.47 0.00 4.97 0.04 -1.25 -4.73 135.00 137.62 2wr1 s PRO 96 Ca 0.33 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.75 2wr1 s PRO 96 Cb -0.17 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2wr1 s PRO 96 CO 0.14 -1.51 0.00 0.41 0.04 0.00 0.00 177.00 176.08 2wr1 n GLY 97 N -0.58 -0.30 3.39 0.56 0.00 -1.26 -0.30 105.19 106.71 2wr1 n GLY 97 Ca 0.10 -0.84 -0.15 0.00 0.00 0.00 0.00 46.02 45.13 2wr1 n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wr1 s SER 98 N -4.00 0.80 -0.17 1.61 1.04 -0.59 -4.91 113.70 107.49 2wr1 s SER 98 Ca 0.00 -1.46 -0.04 0.00 0.48 0.00 0.00 55.95 54.93 2wr1 s SER 98 Cb 0.00 0.56 0.08 0.00 0.10 0.00 0.00 66.02 66.76 2wr1 s SER 98 CO 0.00 -1.12 0.18 0.12 0.98 0.00 0.00 173.24 173.40 2wr1 s PHE 99 N -3.53 -0.15 0.24 5.02 5.36 -1.26 -1.56 117.98 122.11 2wr1 s PHE 99 Ca 0.34 0.19 -0.30 0.00 -0.96 0.00 0.00 56.93 56.20 2wr1 s PHE 99 Cb 0.02 -0.42 -0.09 0.00 -0.34 0.00 0.00 43.02 42.20 2wr1 s PHE 99 CO 0.19 -0.51 1.14 -0.80 -1.46 0.00 0.00 175.22 173.78 2wr1 s ASN 100 N 2.28 7.19 -1.50 6.13 0.01 0.14 -3.37 114.94 125.82 2wr1 s ASN 100 Ca 0.05 2.25 -0.11 0.00 -0.71 0.00 0.00 52.86 54.34 2wr1 s ASN 100 Cb -0.15 -2.62 0.07 0.00 0.41 0.00 0.00 41.25 38.96 2wr1 s ASN 100 CO -0.10 -0.24 0.89 0.47 -1.51 0.00 0.00 177.10 176.61 2wr1 n ASP 101 N 1.76 -3.82 -0.17 -1.22 8.00 -1.26 -4.64 116.55 115.20 2wr1 n ASP 101 Ca 0.01 -0.81 -0.09 0.00 0.71 0.00 0.00 54.79 54.61 2wr1 n ASP 101 Cb 0.45 -3.80 0.00 0.00 -0.02 0.00 0.00 41.12 37.75 2wr1 n ASP 101 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2wr1 h TYR 102 N -2.00 0.86 -0.84 1.24 3.20 -1.97 -2.67 116.97 114.79 2wr1 h TYR 102 Ca -0.59 -0.12 -0.02 0.00 3.14 0.00 0.00 58.73 61.14 2wr1 h TYR 102 Cb 1.37 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 39.37 2wr1 h TYR 102 CO 0.55 0.79 0.45 0.93 -1.64 0.00 0.00 178.16 179.24 2wr1 h GLU 103 N 0.68 1.18 -0.01 1.82 3.07 -1.90 0.11 114.58 119.54 2wr1 h GLU 103 Ca 0.15 -0.15 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 2wr1 h GLU 103 Cb 0.40 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 2wr1 h GLU 103 CO 0.01 0.88 -0.27 0.93 -1.40 0.00 0.00 179.01 179.16 2wr1 h GLU 104 N 1.18 0.01 -0.19 2.33 4.39 -1.89 -0.79 114.58 119.62 2wr1 h GLU 104 Ca 0.29 -0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.81 2wr1 h GLU 104 Cb 0.05 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2wr1 h GLU 104 CO -0.05 0.28 -0.58 1.25 -1.16 0.00 0.00 179.01 178.75 2wr1 h LEU 105 N 0.01 0.84 -0.80 1.33 5.85 -0.89 -2.61 115.31 119.04 2wr1 h LEU 105 Ca -0.00 -0.59 -0.03 0.00 0.84 0.00 0.00 57.88 58.10 2wr1 h LEU 105 Cb 0.48 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 2wr1 h LEU 105 CO 0.03 1.28 0.39 0.11 -0.34 0.00 0.00 178.44 179.91 2wr1 h LYS 106 N 0.44 1.15 -0.62 1.25 1.57 -0.36 -2.45 116.57 117.55 2wr1 h LYS 106 Ca -0.02 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 2wr1 h LYS 106 Cb 1.20 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 33.28 2wr1 h LYS 106 CO 0.12 0.89 0.30 1.25 -0.57 0.00 0.00 179.45 181.44 2wr1 h HIS 107 N 1.13 0.89 -0.17 -1.35 2.76 -1.07 -3.12 115.15 114.23 2wr1 h HIS 107 Ca 0.28 -0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.39 2wr1 h HIS 107 Cb 0.11 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.79 2wr1 h HIS 107 CO 0.01 0.67 0.03 1.25 -1.30 0.00 0.00 177.93 178.59 2wr1 h LEU 108 N 0.85 0.21 -3.37 0.26 5.85 -1.05 -3.13 115.31 114.93 2wr1 h LEU 108 Ca 0.21 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.86 2wr1 h LEU 108 Cb 0.12 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 2wr1 h LEU 108 CO -0.03 0.23 0.03 2.30 -0.34 0.00 0.00 178.44 180.63 2wr1 n ILE 109 N -4.43 2.46 0.22 4.05 -5.35 -1.15 -4.52 119.36 110.64 2wr1 n ILE 109 Ca -0.00 -1.93 0.11 0.00 -0.27 0.00 0.00 62.75 60.65 2wr1 n ILE 109 Cb 0.14 -0.28 0.30 0.00 -1.74 0.00 0.00 39.64 38.06 2wr1 n ILE 109 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wr1 h THR 110 N 2.00 0.29 -2.21 7.28 1.03 -1.60 -3.42 112.91 116.28 2wr1 h THR 110 Ca 0.07 -1.17 -0.13 0.00 -0.01 0.00 0.00 66.41 65.17 2wr1 h THR 110 Cb 1.65 1.94 -0.29 0.00 -1.07 0.00 0.00 68.15 70.38 2wr1 h THR 110 CO 0.34 0.14 -0.43 -0.55 -0.01 0.00 0.00 175.52 175.02 2wr1 s SER 111 N -6.15 0.01 0.06 0.00 0.15 -1.26 -3.46 113.70 103.04 2wr1 s SER 111 Ca 0.04 0.59 0.01 0.00 0.70 0.00 0.00 55.95 57.29 2wr1 s SER 111 Cb 0.07 1.21 -0.03 0.00 -1.71 0.00 0.00 66.02 65.56 2wr1 s SER 111 CO 0.65 -0.27 -0.05 0.68 1.20 0.00 0.00 173.24 175.45 2wr1 s VAL 112 N 2.57 0.44 -0.06 4.45 -7.23 -0.95 -2.86 120.40 116.77 2wr1 s VAL 112 Ca 0.06 -1.57 0.07 0.00 -1.81 0.00 0.00 61.98 58.73 2wr1 s VAL 112 Cb -0.14 -1.21 -0.11 0.00 0.56 0.00 0.00 36.38 35.49 2wr1 s VAL 112 CO -0.14 -0.75 0.08 0.35 -0.31 0.00 0.00 175.10 174.32 2wr1 n THR 113 N 0.55 0.36 -3.94 5.32 -2.24 -0.10 -2.09 114.28 112.15 2wr1 n THR 113 Ca -0.17 -0.29 -0.20 0.00 -2.27 0.00 0.00 64.05 61.13 2wr1 n THR 113 Cb 0.59 -0.45 -0.17 0.00 -2.10 0.00 0.00 70.33 68.20 2wr1 n THR 113 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2wr1 s HIS 114 N -2.31 0.54 -0.08 4.78 5.65 -1.25 -4.56 115.29 118.07 2wr1 s HIS 114 Ca -0.04 -0.10 -0.01 0.00 0.25 0.00 0.00 55.06 55.17 2wr1 s HIS 114 Cb 0.03 -0.61 0.03 0.00 -1.18 0.00 0.00 32.58 30.85 2wr1 s HIS 114 CO 0.33 -0.21 -0.03 0.12 -0.65 0.00 0.00 174.74 174.30 2wr1 s PHE 115 N 1.33 0.91 -0.10 3.88 5.36 -1.11 -2.98 117.98 125.27 2wr1 s PHE 115 Ca -0.05 -0.33 -0.04 0.00 -0.96 0.00 0.00 56.93 55.54 2wr1 s PHE 115 Cb -0.13 -0.91 0.05 0.00 -0.34 0.00 0.00 43.02 41.69 2wr1 s PHE 115 CO -0.02 -0.36 0.22 -2.00 -1.46 0.00 0.00 175.22 171.60 2wr1 s GLU 116 N 1.75 0.15 0.39 10.12 2.12 -1.19 -4.82 118.70 127.23 2wr1 s GLU 116 Ca 0.03 0.55 -0.21 0.00 0.36 0.00 0.00 54.97 55.69 2wr1 s GLU 116 Cb -0.13 -0.13 -0.10 0.00 0.26 0.00 0.00 34.13 34.03 2wr1 s GLU 116 CO -0.05 -0.20 0.91 -1.59 -0.54 0.00 0.00 175.26 173.79 2wr1 s LYS 117 N 1.59 4.26 -0.06 4.30 -2.85 -1.26 -1.11 119.74 124.61 2wr1 s LYS 117 Ca -0.06 1.09 0.02 0.00 -1.00 0.00 0.00 55.97 56.02 2wr1 s LYS 117 Cb -0.11 -2.33 0.01 0.00 -2.06 0.00 0.00 37.83 33.34 2wr1 s LYS 117 CO -0.08 0.06 -0.11 0.08 0.10 0.00 0.00 175.35 175.40 2wr1 s VAL 118 N -2.05 1.04 -1.19 1.79 1.01 -0.13 -4.95 120.40 115.93 2wr1 s VAL 118 Ca 0.59 -0.44 -0.18 0.00 0.00 0.00 0.00 61.98 61.95 2wr1 s VAL 118 Cb -0.11 -0.95 0.10 0.00 0.00 0.00 0.00 36.38 35.42 2wr1 s VAL 118 CO 0.15 0.33 1.54 -0.75 0.00 0.00 0.00 175.10 176.38 2wr1 s LYS 119 N 0.60 3.91 0.21 2.72 2.20 -1.26 -0.60 119.74 127.52 2wr1 s LYS 119 Ca -0.12 -2.00 -0.00 0.00 -0.36 0.00 0.00 55.97 53.49 2wr1 s LYS 119 Cb -0.15 -5.31 0.16 0.00 -1.51 0.00 0.00 37.83 31.02 2wr1 s LYS 119 CO 0.03 -2.06 1.52 -0.84 -0.36 0.00 0.00 175.35 173.64 2wr1 h ILE 120 N 5.54 1.35 -2.61 5.43 3.07 -1.64 -3.35 117.51 125.29 2wr1 h ILE 120 Ca 0.34 -1.88 -0.60 0.00 1.55 0.00 0.00 64.86 64.27 2wr1 h ILE 120 Cb 0.91 1.88 -0.41 0.00 -0.27 0.00 0.00 36.82 38.93 2wr1 h ILE 120 CO 1.36 0.57 -0.73 0.18 -1.05 0.00 0.00 178.15 178.48 2wr1 n LEU 121 N -3.92 2.07 -4.56 0.16 4.77 -0.62 -4.88 117.00 110.02 2wr1 n LEU 121 Ca -0.03 -5.02 -0.57 0.00 -0.03 0.00 0.00 56.01 50.36 2wr1 n LEU 121 Cb 0.61 -0.29 -0.07 0.00 -2.33 0.00 0.00 43.42 41.34 2wr1 n LEU 121 CO 0.46 1.88 0.76 -2.65 -1.33 0.00 0.00 177.39 176.51 2wr1 n PRO 122 N 1.86 0.46 0.24 3.23 -0.02 -1.26 -4.62 135.00 134.89 2wr1 n PRO 122 Ca 0.25 0.17 0.11 0.00 -2.02 0.00 0.00 63.50 62.00 2wr1 n PRO 122 Cb 0.41 -1.73 0.54 0.00 -0.02 0.00 0.00 33.50 32.70 2wr1 n PRO 122 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 2wr1 h ARG 123 N 3.89 0.00 0.00 -0.52 0.11 -1.96 -2.66 114.38 113.24 2wr1 h ARG 123 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.59 2wr1 h ARG 123 Cb 1.39 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.47 2wr1 h ARG 123 CO 0.73 0.19 0.00 0.38 0.10 0.00 0.00 179.97 181.37 2wr1 h ASP 124 N 0.00 0.00 0.10 0.08 3.04 -2.01 -2.41 116.42 115.22 2wr1 h ASP 124 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2wr1 h ASP 124 Cb 0.64 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.93 2wr1 h ASP 124 CO 0.02 0.00 -0.03 0.00 -2.04 0.00 0.00 179.24 177.19 2wr1 n GLN 125 N -2.99 1.13 -1.24 4.15 6.02 -1.00 -4.08 117.38 119.36 2wr1 n GLN 125 Ca -0.01 -0.39 -0.35 0.00 -0.01 0.00 0.00 57.00 56.24 2wr1 n GLN 125 Cb 0.21 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.94 2wr1 n GLN 125 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 2wr1 n TRP 126 N -0.60 2.12 0.30 1.08 7.02 -0.91 -4.72 117.44 121.74 2wr1 n TRP 126 Ca 0.20 -2.87 0.16 0.00 -1.02 0.00 0.00 57.50 53.96 2wr1 n TRP 126 Cb 0.24 -2.36 0.63 0.00 -2.42 0.00 0.00 31.31 27.40 2wr1 n TRP 126 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 2wr1 h THR 127 N 2.93 0.00 -0.51 -0.99 1.35 -1.85 -2.45 112.91 111.39 2wr1 h THR 127 Ca 0.79 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 66.17 2wr1 h THR 127 Cb 0.39 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 2wr1 h THR 127 CO 1.62 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.89 2wr1 n GLN 128 N -2.93 3.26 -4.10 4.72 10.64 -1.26 -4.96 117.38 122.74 2wr1 n GLN 128 Ca 0.01 -2.63 -0.12 0.00 -1.83 0.00 0.00 57.00 52.43 2wr1 n GLN 128 Cb 0.30 -1.68 -0.11 0.00 -0.86 0.00 0.00 30.24 27.89 2wr1 n GLN 128 CO 0.00 0.00 0.00 -1.01 -1.83 0.00 0.00 177.06 174.22 2wr1 s HIS 129 N -1.69 0.73 0.36 2.61 3.76 -0.92 -4.46 115.29 115.67 2wr1 s HIS 129 Ca 0.42 -0.69 -0.21 0.00 -0.15 0.00 0.00 55.06 54.42 2wr1 s HIS 129 Cb 0.27 -0.44 -0.10 0.00 1.11 0.00 0.00 32.58 33.42 2wr1 s HIS 129 CO 0.20 -0.13 0.89 0.99 -0.85 0.00 0.00 174.74 175.85 2wr1 s THR 130 N -2.40 4.40 0.00 1.30 2.01 0.28 -4.87 115.64 116.36 2wr1 s THR 130 Ca -0.01 1.49 0.00 0.00 0.31 0.00 0.00 61.69 63.48 2wr1 s THR 130 Cb -0.03 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.72 2wr1 s THR 130 CO -0.02 -0.10 0.05 1.07 -0.69 0.00 0.00 174.62 174.93 2wr1 n THR 131 N -0.09 0.00 0.79 -0.82 5.66 -1.26 -1.12 114.28 117.44 2wr1 n THR 131 Ca 0.04 -0.09 0.12 0.00 -3.05 0.00 0.00 64.05 61.07 2wr1 n THR 131 Cb 0.52 1.47 0.21 0.00 -1.55 0.00 0.00 70.33 70.98 2wr1 n THR 131 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2wr1 n THR 132 N -0.08 0.22 -1.62 1.09 -2.24 -1.26 -4.89 114.28 105.50 2wr1 n THR 132 Ca 0.00 -0.57 -0.46 0.00 -2.27 0.00 0.00 64.05 60.75 2wr1 n THR 132 Cb 0.12 1.11 -0.03 0.00 -2.10 0.00 0.00 70.33 69.43 2wr1 n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr1 n GLY 133 N 1.38 0.33 1.95 3.38 0.00 -1.26 -4.98 105.19 105.99 2wr1 n GLY 133 Ca 0.17 0.48 -0.09 0.00 0.00 0.00 0.00 46.02 46.57 2wr1 n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wr1 n GLY 134 N 1.89 2.74 3.26 -0.02 0.00 -1.26 -4.73 105.19 107.07 2wr1 n GLY 134 Ca 0.12 -1.59 -0.13 0.00 0.00 0.00 0.00 46.02 44.42 2wr1 n GLY 134 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wr1 s SER 135 N -2.29 -0.26 0.51 1.61 0.15 0.19 -4.74 113.70 108.87 2wr1 s SER 135 Ca 0.19 0.27 0.34 0.00 0.70 0.00 0.00 55.95 57.44 2wr1 s SER 135 Cb -0.00 0.42 1.64 0.00 -1.71 0.00 0.00 66.02 66.37 2wr1 s SER 135 CO 0.13 -0.39 2.03 0.03 1.20 0.00 0.00 173.24 176.24 2wr1 h ARG 136 N 4.19 0.00 -0.31 5.44 3.08 -1.89 -1.33 114.38 123.56 2wr1 h ARG 136 Ca -0.29 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.77 2wr1 h ARG 136 Cb 1.18 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 2wr1 h ARG 136 CO 0.37 0.00 0.20 0.00 -1.07 0.00 0.00 179.97 179.48 2wr1 h ALA 137 N 2.04 1.80 -0.38 0.04 0.00 -1.88 -2.40 119.26 118.49 2wr1 h ALA 137 Ca 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 2wr1 h ALA 137 Cb 0.25 -0.12 -0.12 0.00 0.00 0.00 0.00 17.79 17.80 2wr1 h ALA 137 CO 0.00 0.18 -0.07 0.00 0.00 0.00 0.00 179.25 179.36 2wr1 s ALA 139 N -3.27 3.25 -0.30 0.00 0.00 -0.91 -3.63 121.76 116.91 2wr1 s ALA 139 Ca 0.45 1.50 0.01 0.00 0.00 0.00 0.00 51.96 53.92 2wr1 s ALA 139 Cb 0.41 -3.60 0.09 0.00 0.00 0.00 0.00 23.12 20.02 2wr1 s ALA 139 CO -0.00 -1.23 0.05 0.08 0.00 0.00 0.00 175.76 174.66 2wr1 s VAL 140 N -1.19 1.48 -1.16 0.00 1.01 0.13 -4.86 120.40 115.80 2wr1 s VAL 140 Ca 0.61 -1.65 -0.03 0.00 0.00 0.00 0.00 61.98 60.91 2wr1 s VAL 140 Cb -0.44 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 33.92 2wr1 s VAL 140 CO 0.57 -0.51 0.99 0.18 0.00 0.00 0.00 175.10 176.33 2wr1 n LEU 141 N 4.62 -3.68 -1.76 3.92 4.77 -1.26 -1.03 117.00 122.57 2wr1 n LEU 141 Ca -0.02 -0.55 -0.19 0.00 -0.03 0.00 0.00 56.01 55.22 2wr1 n LEU 141 Cb 0.43 -2.91 0.07 0.00 -2.33 0.00 0.00 43.42 38.68 2wr1 n LEU 141 CO 0.16 0.44 0.42 -0.90 -1.33 0.00 0.00 177.39 176.18 2wr1 n ASP 142 N -2.87 4.52 -4.75 -1.43 3.85 -1.26 -5.08 116.55 109.53 2wr1 n ASP 142 Ca -0.17 -3.78 -0.35 0.00 -0.71 0.00 0.00 54.79 49.78 2wr1 n ASP 142 Cb 0.62 -0.48 0.05 0.00 -1.35 0.00 0.00 41.12 39.97 2wr1 n ASP 142 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.20 176.39 2wr1 s ASN 143 N -3.22 4.93 0.28 -1.12 0.01 -0.20 -4.85 114.94 110.77 2wr1 s ASN 143 Ca 0.50 2.31 -0.29 0.00 -0.71 0.00 0.00 52.86 54.67 2wr1 s ASN 143 Cb 0.42 -2.59 -0.14 0.00 0.41 0.00 0.00 41.25 39.35 2wr1 s ASN 143 CO 0.01 -1.77 1.12 -2.65 -1.51 0.00 0.00 177.10 172.31 2wr1 n PRO 144 N -2.02 1.54 -1.38 -0.60 -0.02 -1.26 0.20 135.00 131.46 2wr1 n PRO 144 Ca 0.13 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2wr1 n PRO 144 Cb 0.50 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 2wr1 n PRO 144 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2wr1 n SER 145 N 1.36 0.00 -3.51 2.55 2.88 -0.85 -4.64 113.62 111.41 2wr1 n SER 145 Ca 0.10 -0.81 -0.13 0.00 -1.33 0.00 0.00 58.87 56.70 2wr1 n SER 145 Cb 0.32 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.74 2wr1 n SER 145 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2wr1 s PHE 146 N -3.61 -0.47 -0.29 0.66 5.36 -1.26 0.55 117.98 118.92 2wr1 s PHE 146 Ca 0.00 0.39 -0.43 0.00 -0.96 0.00 0.00 56.93 55.92 2wr1 s PHE 146 Cb 0.00 0.43 -0.19 0.00 -0.34 0.00 0.00 43.02 42.92 2wr1 s PHE 146 CO 0.00 -0.74 1.46 1.19 -1.46 0.00 0.00 175.22 175.66 2wr1 n PHE 147 N 0.01 1.48 0.24 10.12 3.72 -1.26 -4.60 117.46 127.16 2wr1 n PHE 147 Ca -0.17 1.00 0.13 0.00 -0.05 0.00 0.00 57.45 58.36 2wr1 n PHE 147 Cb 0.63 -2.23 0.55 0.00 -0.94 0.00 0.00 39.48 37.48 2wr1 n PHE 147 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wr1 h ARG 148 N 4.73 0.00 -0.02 -1.08 3.08 -0.42 -2.79 114.38 117.88 2wr1 h ARG 148 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2wr1 h ARG 148 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.43 2wr1 h ARG 148 CO 0.87 0.13 -0.06 0.09 -1.07 0.00 0.00 179.97 179.94 2wr1 n ASN 149 N -3.29 1.69 -4.44 7.04 3.02 0.21 -4.93 115.26 114.56 2wr1 n ASN 149 Ca 0.00 -1.49 -0.22 0.00 -0.03 0.00 0.00 54.58 52.85 2wr1 n ASN 149 Cb 0.38 0.04 -0.10 0.00 -0.61 0.00 0.00 39.78 39.48 2wr1 n ASN 149 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2wr1 s MET 150 N -2.10 1.60 0.00 3.52 -1.94 -1.05 -0.87 119.30 118.46 2wr1 s MET 150 Ca 0.33 -1.84 0.00 0.00 -1.71 0.00 0.00 55.69 52.47 2wr1 s MET 150 Cb 0.20 -1.06 0.00 0.00 2.01 0.00 0.00 34.83 35.98 2wr1 s MET 150 CO 0.37 -0.05 0.00 0.28 -0.01 0.00 0.00 175.02 175.61 2wr1 n VAL 151 N -0.63 0.00 -3.65 -6.03 0.31 0.64 -4.78 118.33 104.19 2wr1 n VAL 151 Ca -0.04 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.22 2wr1 n VAL 151 Cb 0.65 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.50 2wr1 n VAL 151 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2wr1 s LEU 153 N 0.00 -0.84 0.34 7.52 1.43 -1.21 -1.41 118.68 124.51 2wr1 s LEU 153 Ca 0.00 1.41 0.06 0.00 -1.03 0.00 0.00 54.13 54.57 2wr1 s LEU 153 Cb 0.00 2.18 -0.03 0.00 0.03 0.00 0.00 46.19 48.37 2wr1 s LEU 153 CO 0.00 -0.23 0.24 0.42 0.23 0.00 0.00 176.35 177.01 2wr1 s THR 154 N 1.83 0.12 0.55 5.49 -4.23 -0.28 -4.70 115.64 114.42 2wr1 s THR 154 Ca -0.09 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.23 2wr1 s THR 154 Cb -0.07 -2.47 -0.06 0.00 1.34 0.00 0.00 72.50 71.25 2wr1 s THR 154 CO -0.18 0.00 1.08 -1.59 -0.54 0.00 0.00 174.62 173.39 2wr1 s LYS 155 N -3.55 3.44 -0.40 3.99 -2.85 -0.18 -0.56 119.74 119.62 2wr1 s LYS 155 Ca 0.37 1.43 -0.09 0.00 -1.00 0.00 0.00 55.97 56.68 2wr1 s LYS 155 Cb 0.03 -2.03 0.06 0.00 -2.06 0.00 0.00 37.83 33.83 2wr1 s LYS 155 CO 0.24 -0.75 0.22 0.21 0.10 0.00 0.00 175.35 175.38 2wr1 s LYS 156 N -3.51 2.62 4.54 1.78 2.20 0.18 -3.92 119.74 123.63 2wr1 s LYS 156 Ca 0.69 -1.36 0.00 0.00 -0.36 0.00 0.00 55.97 54.93 2wr1 s LYS 156 Cb -0.19 -3.71 0.00 0.00 -1.51 0.00 0.00 37.83 32.41 2wr1 s LYS 156 CO 0.28 -0.87 0.00 0.41 -0.36 0.00 0.00 175.35 174.81 2wr1 n GLY 157 N 4.90 1.87 0.21 5.54 0.00 -1.26 -2.75 105.19 113.70 2wr1 n GLY 157 Ca -0.10 -0.08 0.04 0.00 0.00 0.00 0.00 46.02 45.87 2wr1 n GLY 157 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wr1 n SER 158 N 7.92 1.12 -4.17 1.61 3.41 -1.26 -5.06 113.62 117.19 2wr1 n SER 158 Ca 0.00 -2.26 -0.24 0.00 -0.26 0.00 0.00 58.87 56.11 2wr1 n SER 158 Cb 0.00 -0.23 -0.15 0.00 -0.26 0.00 0.00 64.21 63.57 2wr1 n SER 158 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2wr1 s ASN 159 N -1.55 2.03 -0.51 4.04 0.02 -1.11 -4.92 114.94 112.95 2wr1 s ASN 159 Ca 0.12 -0.33 0.03 0.00 -1.02 0.00 0.00 52.86 51.66 2wr1 s ASN 159 Cb 0.10 -0.22 0.14 0.00 0.02 0.00 0.00 41.25 41.29 2wr1 s ASN 159 CO 0.01 0.20 0.30 -0.47 0.02 0.00 0.00 177.10 177.17 2wr1 s TYR 160 N -0.44 2.54 0.81 2.20 5.04 -1.26 0.51 117.35 126.75 2wr1 s TYR 160 Ca 0.07 -2.80 -0.11 0.00 -2.44 0.00 0.00 57.07 51.79 2wr1 s TYR 160 Cb -0.07 -2.22 0.08 0.00 0.35 0.00 0.00 41.96 40.11 2wr1 s TYR 160 CO -0.00 -0.73 1.13 -2.14 -1.34 0.00 0.00 175.55 172.47 2wr1 s PRO 161 N -0.19 1.79 0.16 4.97 0.02 -1.26 -4.87 135.00 135.62 2wr1 s PRO 161 Ca 0.20 1.43 -0.34 0.00 0.02 0.00 0.00 61.00 62.31 2wr1 s PRO 161 Cb -0.19 -1.83 -0.15 0.00 0.02 0.00 0.00 34.50 32.36 2wr1 s PRO 161 CO -0.05 -2.03 1.33 1.51 -0.33 0.00 0.00 177.00 177.43 2wr1 n ILE 162 N -3.59 0.53 -3.74 2.83 3.06 -1.26 -4.91 119.36 112.28 2wr1 n ILE 162 Ca 0.11 -0.13 -0.36 0.00 -2.50 0.00 0.00 62.75 59.87 2wr1 n ILE 162 Cb 0.52 -1.08 -0.09 0.00 0.54 0.00 0.00 39.64 39.53 2wr1 n ILE 162 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2wr1 s ALA 163 N 0.19 3.59 -0.26 1.51 0.00 0.12 -4.96 121.76 121.94 2wr1 s ALA 163 Ca 0.76 -0.80 -0.01 0.00 0.00 0.00 0.00 51.96 51.91 2wr1 s ALA 163 Cb -0.81 -2.20 0.14 0.00 0.00 0.00 0.00 23.12 20.25 2wr1 s ALA 163 CO 0.48 -0.02 0.37 0.21 0.00 0.00 0.00 175.76 176.79 2wr1 s LYS 164 N 0.72 0.36 0.01 0.00 2.20 -1.26 -0.56 119.74 121.21 2wr1 s LYS 164 Ca 0.07 0.28 -0.08 0.00 -0.36 0.00 0.00 55.97 55.87 2wr1 s LYS 164 Cb -0.12 -0.50 0.00 0.00 -1.51 0.00 0.00 37.83 35.70 2wr1 s LYS 164 CO 0.01 -0.83 0.16 1.03 -0.36 0.00 0.00 175.35 175.37 2wr1 s ARG 165 N 2.50 0.57 0.11 4.03 0.52 -0.99 -5.02 118.95 120.67 2wr1 s ARG 165 Ca 0.11 -0.48 0.00 0.00 -0.52 0.00 0.00 55.73 54.85 2wr1 s ARG 165 Cb -0.14 0.24 -0.04 0.00 0.52 0.00 0.00 34.95 35.52 2wr1 s ARG 165 CO -0.23 -0.15 -0.02 -1.54 0.02 0.00 0.00 175.30 173.39 2wr1 s SER 166 N -1.64 0.82 -0.04 0.23 1.04 -1.26 -1.29 113.70 111.56 2wr1 s SER 166 Ca -0.11 -1.08 -0.01 0.00 0.48 0.00 0.00 55.95 55.22 2wr1 s SER 166 Cb -0.05 0.17 0.03 0.00 0.10 0.00 0.00 66.02 66.27 2wr1 s SER 166 CO -0.00 -0.58 0.07 -0.47 0.98 0.00 0.00 173.24 173.25 2wr1 s TYR 167 N -3.80 -0.06 -0.30 5.02 5.04 -0.28 -4.99 117.35 117.98 2wr1 s TYR 167 Ca 0.16 0.25 -0.11 0.00 -2.44 0.00 0.00 57.07 54.93 2wr1 s TYR 167 Cb 0.07 -0.13 -0.03 0.00 0.35 0.00 0.00 41.96 42.22 2wr1 s TYR 167 CO -0.03 -0.10 0.18 1.21 -1.34 0.00 0.00 175.55 175.47 2wr1 s ASN 168 N 0.86 5.81 -0.91 4.32 3.84 -1.26 -1.42 114.94 126.17 2wr1 s ASN 168 Ca -0.07 -0.30 -0.25 0.00 0.21 0.00 0.00 52.86 52.44 2wr1 s ASN 168 Cb -0.10 -2.07 -0.13 0.00 -0.55 0.00 0.00 41.25 38.41 2wr1 s ASN 168 CO -0.03 -0.15 2.20 0.21 -2.79 0.00 0.00 177.10 176.54 2wr1 s ASN 169 N 1.69 4.21 -0.05 -4.21 3.84 -0.53 -4.68 114.94 115.22 2wr1 s ASN 169 Ca 0.06 -0.47 0.17 0.00 0.21 0.00 0.00 52.86 52.83 2wr1 s ASN 169 Cb -0.17 -2.56 0.58 0.00 -0.55 0.00 0.00 41.25 38.55 2wr1 s ASN 169 CO 0.09 -3.70 1.47 0.35 -2.79 0.00 0.00 177.10 172.53 2wr1 n THR 170 N 8.53 1.21 0.52 -5.21 -2.24 -1.26 -0.59 114.28 115.24 2wr1 n THR 170 Ca 0.44 -0.91 0.12 0.00 -2.27 0.00 0.00 64.05 61.43 2wr1 n THR 170 Cb 0.45 0.22 0.45 0.00 -2.10 0.00 0.00 70.33 69.35 2wr1 n THR 170 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2wr1 n SER 171 N 1.10 0.70 0.00 3.42 3.41 -1.26 -4.89 113.62 116.10 2wr1 n SER 171 Ca 0.21 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.44 2wr1 n SER 171 Cb 0.66 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 2wr1 n SER 171 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wr1 n GLY 172 N 0.64 1.00 3.13 5.00 0.00 -1.26 -5.04 105.19 108.67 2wr1 n GLY 172 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 2wr1 n GLY 172 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wr1 s GLU 173 N -0.65 0.81 0.36 1.61 2.02 -1.26 -5.00 118.70 116.58 2wr1 s GLU 173 Ca 0.00 -1.33 -0.28 0.00 0.02 0.00 0.00 54.97 53.38 2wr1 s GLU 173 Cb 0.00 0.24 -0.12 0.00 0.10 0.00 0.00 34.13 34.35 2wr1 s GLU 173 CO 0.00 -0.21 1.33 1.04 0.02 0.00 0.00 175.26 177.44 2wr1 n GLN 174 N -0.02 2.22 -4.87 1.61 6.02 -1.26 -4.48 117.38 116.60 2wr1 n GLN 174 Ca -0.09 0.78 -0.32 0.00 -0.01 0.00 0.00 57.00 57.35 2wr1 n GLN 174 Cb 0.63 -2.40 -0.17 0.00 1.02 0.00 0.00 30.24 29.32 2wr1 n GLN 174 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 2wr1 s MET 175 N -1.96 3.02 -0.10 -1.09 1.75 0.09 -1.18 119.30 119.82 2wr1 s MET 175 Ca 0.56 -0.86 -0.30 0.00 -1.25 0.00 0.00 55.69 53.84 2wr1 s MET 175 Cb -0.54 -2.37 -0.02 0.00 2.84 0.00 0.00 34.83 34.74 2wr1 s MET 175 CO 0.62 0.06 1.08 -1.17 -0.65 0.00 0.00 175.02 174.96 2wr1 s LEU 176 N 0.64 4.24 -0.06 4.11 2.96 0.27 -0.15 118.68 130.69 2wr1 s LEU 176 Ca -0.12 1.62 0.02 0.00 -0.22 0.00 0.00 54.13 55.43 2wr1 s LEU 176 Cb -0.16 -3.56 0.01 0.00 0.50 0.00 0.00 46.19 42.99 2wr1 s LEU 176 CO 0.02 -0.52 -0.10 -0.63 -1.32 0.00 0.00 176.35 173.81 2wr1 s ILE 177 N 2.21 0.94 -0.03 6.68 1.01 -0.47 -0.98 121.20 130.56 2wr1 s ILE 177 Ca 0.51 -0.37 0.06 0.00 0.00 0.00 0.00 60.65 60.84 2wr1 s ILE 177 Cb -0.20 -0.88 -0.02 0.00 0.01 0.00 0.00 42.46 41.37 2wr1 s ILE 177 CO 0.18 0.31 -0.19 -0.63 0.00 0.00 0.00 174.94 174.61 2wr1 s ILE 178 N 0.69 2.66 0.14 2.92 1.01 -1.26 -1.21 121.20 126.15 2wr1 s ILE 178 Ca -0.13 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 59.56 2wr1 s ILE 178 Cb -0.15 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.27 2wr1 s ILE 178 CO 0.03 0.55 0.11 -1.66 0.00 0.00 0.00 174.94 173.97 2wr1 s TRP 179 N -0.72 0.79 0.32 3.97 -2.14 -0.86 -3.72 118.94 116.58 2wr1 s TRP 179 Ca 0.11 -1.15 0.04 0.00 2.66 0.00 0.00 56.10 57.77 2wr1 s TRP 179 Cb -0.10 -0.39 -0.02 0.00 -3.10 0.00 0.00 33.47 29.85 2wr1 s TRP 179 CO 0.01 -0.57 0.31 0.20 -2.66 0.00 0.00 176.95 174.24 2wr1 s GLY 180 N -3.04 2.07 -0.01 3.67 0.00 -0.24 -1.10 107.32 108.68 2wr1 s GLY 180 Ca 0.24 -1.92 0.04 0.00 0.00 0.00 0.00 44.72 43.08 2wr1 s GLY 180 CO 0.02 -1.36 -0.13 -1.50 0.00 0.00 0.00 173.10 170.14 2wr1 s ILE 181 N -3.41 1.00 -0.21 0.90 2.07 -0.27 -0.83 121.20 120.44 2wr1 s ILE 181 Ca 0.38 -0.54 -0.17 0.00 -1.41 0.00 0.00 60.65 58.91 2wr1 s ILE 181 Cb 0.02 -0.83 -0.03 0.00 0.13 0.00 0.00 42.46 41.74 2wr1 s ILE 181 CO 0.25 0.28 0.48 -2.28 -1.91 0.00 0.00 174.94 171.76 2wr1 s HIS 182 N -0.27 3.36 -0.46 3.50 5.65 0.11 -1.30 115.29 125.86 2wr1 s HIS 182 Ca 0.04 0.70 -0.11 0.00 0.25 0.00 0.00 55.06 55.94 2wr1 s HIS 182 Cb -0.05 -2.63 0.10 0.00 -1.18 0.00 0.00 32.58 28.82 2wr1 s HIS 182 CO -0.00 -0.10 0.35 -1.01 -0.65 0.00 0.00 174.74 173.33 2wr1 s HIS 183 N 1.63 3.33 0.83 3.88 0.09 0.11 -4.62 115.29 120.54 2wr1 s HIS 183 Ca 0.22 -1.49 -0.11 0.00 -0.00 0.00 0.00 55.06 53.67 2wr1 s HIS 183 Cb -0.15 -3.30 0.09 0.00 -0.00 0.00 0.00 32.58 29.21 2wr1 s HIS 183 CO 0.09 -0.91 1.10 -2.14 -0.00 0.00 0.00 174.74 172.87 2wr1 s PRO 184 N 1.47 1.81 0.15 8.40 0.02 -1.23 -0.94 135.00 144.69 2wr1 s PRO 184 Ca 0.04 0.69 0.05 0.00 0.02 0.00 0.00 61.00 61.80 2wr1 s PRO 184 Cb -0.25 -1.88 -0.07 0.00 0.02 0.00 0.00 34.50 32.31 2wr1 s PRO 184 CO 0.02 -1.82 1.34 -0.97 -0.33 0.00 0.00 177.00 175.24 2wr1 h ASN 185 N -1.24 0.12 -5.01 2.53 -1.24 -1.80 -2.80 115.58 106.15 2wr1 h ASN 185 Ca -0.48 -0.11 0.05 0.00 0.71 0.00 0.00 56.30 56.47 2wr1 h ASN 185 Cb 1.27 -0.04 -0.06 0.00 0.73 0.00 0.00 38.32 40.22 2wr1 h ASN 185 CO 0.58 0.99 0.22 1.51 -1.29 0.00 0.00 177.43 179.43 2wr1 s ASP 186 N -6.84 -0.31 0.43 1.15 1.47 -1.26 -3.33 116.67 107.98 2wr1 s ASP 186 Ca -0.01 -0.51 0.09 0.00 1.18 0.00 0.00 52.55 53.30 2wr1 s ASP 186 Cb 0.10 0.70 0.94 0.00 -0.34 0.00 0.00 42.92 44.32 2wr1 s ASP 186 CO 0.82 -1.28 2.07 0.44 0.68 0.00 0.00 175.17 177.90 2wr1 h ASP 187 N 2.01 0.38 -0.43 2.11 3.32 -1.95 -1.69 116.42 120.17 2wr1 h ASP 187 Ca -0.22 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.68 2wr1 h ASP 187 Cb 1.26 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 2wr1 h ASP 187 CO 0.26 0.28 -0.28 0.00 -1.72 0.00 0.00 179.24 177.78 2wr1 h ALA 188 N 1.79 0.61 -0.60 3.45 0.00 -1.99 -1.46 119.26 121.05 2wr1 h ALA 188 Ca 0.13 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.63 2wr1 h ALA 188 Cb -0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2wr1 h ALA 188 CO -0.03 0.64 0.40 1.49 0.00 0.00 0.00 179.25 181.75 2wr1 h GLU 189 N 0.77 0.79 -0.23 0.00 4.81 -1.79 -0.11 114.58 118.82 2wr1 h GLU 189 Ca 0.09 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.30 2wr1 h GLU 189 Cb 0.86 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.03 2wr1 h GLU 189 CO 0.08 0.52 0.01 0.37 -0.73 0.00 0.00 179.01 179.26 2wr1 h GLN 190 N 0.82 0.09 -0.40 1.92 5.75 -0.98 -0.88 115.11 121.43 2wr1 h GLN 190 Ca 0.22 -0.01 -0.13 0.00 -0.15 0.00 0.00 58.65 58.58 2wr1 h GLN 190 Cb -0.10 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 2wr1 h GLN 190 CO -0.05 0.06 -0.27 0.00 -2.65 0.00 0.00 178.83 175.92 2wr1 h ARG 191 N 0.09 0.88 -0.25 1.69 3.08 -1.11 0.49 114.38 119.25 2wr1 h ARG 191 Ca 0.11 -0.42 0.01 0.00 0.07 0.00 0.00 59.98 59.75 2wr1 h ARG 191 Cb 0.13 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 2wr1 h ARG 191 CO -0.17 1.07 0.15 1.15 -1.07 0.00 0.00 179.97 181.09 2wr1 h THR 192 N 0.69 1.03 -0.00 2.04 2.02 -0.70 -0.78 112.91 117.22 2wr1 h THR 192 Ca 0.08 -0.10 -0.10 0.00 0.77 0.00 0.00 66.41 67.06 2wr1 h THR 192 Cb 0.84 0.70 0.01 0.00 -1.74 0.00 0.00 68.15 67.96 2wr1 h THR 192 CO 0.07 0.06 -0.39 -0.07 0.37 0.00 0.00 175.52 175.56 2wr1 h LEU 193 N 0.30 0.34 -0.11 2.58 3.38 -1.07 -3.41 115.31 117.32 2wr1 h LEU 193 Ca 0.10 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.30 2wr1 h LEU 193 Cb -0.01 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2wr1 h LEU 193 CO -0.04 1.07 0.00 -1.22 0.09 0.00 0.00 178.44 178.34 2wr1 n TYR 194 N -4.39 0.00 0.00 1.13 4.01 0.15 -1.02 117.16 117.04 2wr1 n TYR 194 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 2wr1 n TYR 194 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 2wr1 n TYR 194 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 2wr1 n GLN 195 N -0.76 0.00 -2.13 -0.72 -0.06 -0.30 -4.40 117.38 109.02 2wr1 n GLN 195 Ca 0.00 0.00 -0.36 0.00 -2.00 0.00 0.00 57.00 54.64 2wr1 n GLN 195 Cb 0.00 0.00 0.02 0.00 -4.06 0.00 0.00 30.24 26.20 2wr1 n GLN 195 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 2wr1 s ASN 196 N 0.00 5.52 0.37 1.69 0.01 -1.26 -4.64 114.94 116.63 2wr1 s ASN 196 Ca 0.00 2.32 0.08 0.00 -0.71 0.00 0.00 52.86 54.55 2wr1 s ASN 196 Cb 0.00 -2.59 -0.07 0.00 0.41 0.00 0.00 41.25 38.99 2wr1 s ASN 196 CO 0.00 -1.37 -0.03 -0.69 -1.51 0.00 0.00 177.10 173.50 2wr1 s VAL 197 N -1.64 2.02 -0.98 1.60 1.01 -1.26 -4.69 120.40 116.46 2wr1 s VAL 197 Ca 0.74 -2.08 -0.00 0.00 0.00 0.00 0.00 61.98 60.63 2wr1 s VAL 197 Cb -0.28 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 2wr1 s VAL 197 CO 0.32 -0.09 0.82 0.61 0.00 0.00 0.00 175.10 176.76 2wr1 n GLY 198 N -0.86 -0.27 4.01 4.51 0.00 -1.26 -5.02 105.19 106.29 2wr1 n GLY 198 Ca -0.05 0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 2wr1 n GLY 198 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wr1 s THR 199 N -3.30 2.43 0.14 2.61 -4.23 -1.26 -5.06 115.64 106.97 2wr1 s THR 199 Ca 0.03 -0.82 -0.16 0.00 -1.18 0.00 0.00 61.69 59.57 2wr1 s THR 199 Cb -0.00 -2.61 0.03 0.00 1.34 0.00 0.00 72.50 71.26 2wr1 s THR 199 CO 0.61 0.00 0.41 -0.72 -0.54 0.00 0.00 174.62 174.38 2wr1 s TYR 200 N -2.75 -0.14 -0.10 3.99 -0.85 -1.26 -4.26 117.35 111.97 2wr1 s TYR 200 Ca 0.61 -0.18 0.02 0.00 -0.52 0.00 0.00 57.07 56.99 2wr1 s TYR 200 Cb -0.07 0.26 0.01 0.00 0.38 0.00 0.00 41.96 42.54 2wr1 s TYR 200 CO 0.39 -0.74 -0.15 0.08 -1.52 0.00 0.00 175.55 173.61 2wr1 s VAL 201 N -3.83 1.45 0.05 -3.49 1.01 -0.08 -1.87 120.40 113.64 2wr1 s VAL 201 Ca 0.05 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.46 2wr1 s VAL 201 Cb 0.01 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 2wr1 s VAL 201 CO -0.09 0.43 -0.16 -0.94 0.00 0.00 0.00 175.10 174.33 2wr1 s SER 202 N 0.89 1.94 -0.01 3.32 1.04 0.11 0.37 113.70 121.36 2wr1 s SER 202 Ca -0.09 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.84 2wr1 s SER 202 Cb -0.15 -0.13 0.02 0.00 0.10 0.00 0.00 66.02 65.86 2wr1 s SER 202 CO 0.00 0.06 0.01 -0.69 0.98 0.00 0.00 173.24 173.61 2wr1 s VAL 203 N -0.89 0.01 0.00 5.02 1.01 0.03 -1.00 120.40 124.58 2wr1 s VAL 203 Ca 0.03 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2wr1 s VAL 203 Cb -0.08 -0.10 -0.00 0.00 0.00 0.00 0.00 36.38 36.20 2wr1 s VAL 203 CO 0.02 0.07 -0.01 -0.83 0.00 0.00 0.00 175.10 174.35 2wr1 s GLY 204 N 0.70 0.04 0.02 4.51 0.00 -0.50 -1.49 107.32 110.61 2wr1 s GLY 204 Ca -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.57 2wr1 s GLY 204 CO -0.02 -0.10 0.00 -1.30 0.00 0.00 0.00 173.10 171.69 2wr1 n THR 205 N 2.87 0.00 0.03 0.90 -2.24 -0.19 -1.38 114.28 114.27 2wr1 n THR 205 Ca -0.14 -0.09 0.18 0.00 -2.27 0.00 0.00 64.05 61.74 2wr1 n THR 205 Cb 0.59 0.03 0.67 0.00 -2.10 0.00 0.00 70.33 69.52 2wr1 n THR 205 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2wr1 h SER 206 N 0.06 0.03 0.00 3.42 0.02 -1.98 -3.30 113.55 111.79 2wr1 h SER 206 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2wr1 h SER 206 Cb 0.04 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2wr1 h SER 206 CO 0.02 0.02 -0.51 0.35 -1.14 0.00 0.00 176.83 175.56 2wr1 n THR 207 N -4.41 0.00 -3.76 -2.27 -2.24 -1.26 -5.03 114.28 95.31 2wr1 n THR 207 Ca 0.08 -0.12 -0.37 0.00 -2.27 0.00 0.00 64.05 61.37 2wr1 n THR 207 Cb 0.52 0.58 -0.06 0.00 -2.10 0.00 0.00 70.33 69.27 2wr1 n THR 207 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2wr1 s LEU 208 N -2.02 4.38 -0.14 3.22 2.96 -1.24 -5.07 118.68 120.77 2wr1 s LEU 208 Ca 0.00 0.56 -0.04 0.00 -0.22 0.00 0.00 54.13 54.43 2wr1 s LEU 208 Cb 0.00 -2.21 0.07 0.00 0.50 0.00 0.00 46.19 44.55 2wr1 s LEU 208 CO 0.00 0.35 0.20 0.21 -1.32 0.00 0.00 176.35 175.78 2wr1 s ASN 209 N -0.80 0.97 -0.15 3.68 2.47 -1.26 -1.02 114.94 118.83 2wr1 s ASN 209 Ca 0.16 0.14 -0.11 0.00 0.42 0.00 0.00 52.86 53.48 2wr1 s ASN 209 Cb -0.13 0.37 0.05 0.00 -1.45 0.00 0.00 41.25 40.09 2wr1 s ASN 209 CO 0.05 -0.28 0.37 -0.75 -3.72 0.00 0.00 177.10 172.78 2wr1 s LYS 210 N 2.32 0.40 -0.07 0.43 2.20 -0.56 -5.03 119.74 119.44 2wr1 s LYS 210 Ca 0.04 0.61 0.01 0.00 -0.36 0.00 0.00 55.97 56.28 2wr1 s LYS 210 Cb -0.14 0.10 0.02 0.00 -1.51 0.00 0.00 37.83 36.30 2wr1 s LYS 210 CO -0.09 -0.10 -0.09 0.50 -0.36 0.00 0.00 175.35 175.21 2wr1 s ARG 211 N 0.71 1.47 0.01 4.03 3.52 -1.26 -0.79 118.95 126.64 2wr1 s ARG 211 Ca -0.04 -0.30 0.07 0.00 -0.13 0.00 0.00 55.73 55.32 2wr1 s ARG 211 Cb -0.05 -1.35 -0.03 0.00 -1.56 0.00 0.00 34.95 31.96 2wr1 s ARG 211 CO -0.05 -0.08 -0.19 -1.12 -0.81 0.00 0.00 175.30 173.05 2wr1 s SER 212 N 1.03 3.73 -0.05 -2.12 0.01 0.16 -4.97 113.70 111.49 2wr1 s SER 212 Ca -0.08 -0.39 0.05 0.00 1.31 0.00 0.00 55.95 56.84 2wr1 s SER 212 Cb -0.15 -0.62 -0.02 0.00 0.21 0.00 0.00 66.02 65.45 2wr1 s SER 212 CO -0.00 0.28 -0.21 0.27 0.41 0.00 0.00 173.24 173.99 2wr1 s ILE 213 N -0.84 2.44 0.38 1.44 -5.25 -1.26 -0.90 121.20 117.20 2wr1 s ILE 213 Ca 0.13 -0.94 -0.27 0.00 -0.99 0.00 0.00 60.65 58.58 2wr1 s ILE 213 Cb -0.10 -1.91 -0.10 0.00 2.95 0.00 0.00 42.46 43.30 2wr1 s ILE 213 CO 0.03 0.58 1.35 -2.84 -1.79 0.00 0.00 174.94 172.27 2wr1 s PRO 214 N -0.41 4.11 -0.31 0.37 0.02 -1.26 -4.99 135.00 132.53 2wr1 s PRO 214 Ca 0.04 2.28 -0.08 0.00 0.02 0.00 0.00 61.00 63.25 2wr1 s PRO 214 Cb -0.12 -2.90 0.01 0.00 0.02 0.00 0.00 34.50 31.51 2wr1 s PRO 214 CO 0.02 -0.41 0.12 -1.21 -0.33 0.00 0.00 177.00 175.18 2wr1 s GLU 215 N -2.07 3.12 -0.30 5.54 2.02 -1.26 -5.01 118.70 120.74 2wr1 s GLU 215 Ca 0.53 -0.85 -0.13 0.00 0.02 0.00 0.00 54.97 54.54 2wr1 s GLU 215 Cb -0.41 -3.48 -0.04 0.00 0.10 0.00 0.00 34.13 30.30 2wr1 s GLU 215 CO 0.54 -0.48 0.26 0.42 0.02 0.00 0.00 175.26 176.02 2wr1 s ILE 216 N 1.54 5.26 -0.16 -1.63 1.01 -1.26 -3.47 121.20 122.50 2wr1 s ILE 216 Ca 0.03 0.13 -0.29 0.00 0.00 0.00 0.00 60.65 60.52 2wr1 s ILE 216 Cb -0.17 -3.64 0.11 0.00 0.01 0.00 0.00 42.46 38.76 2wr1 s ILE 216 CO 0.04 0.13 0.91 0.00 0.00 0.00 0.00 174.94 176.02 2wr1 s ALA 217 N 1.84 -1.89 0.16 9.38 0.00 -1.06 -4.94 121.76 125.25 2wr1 s ALA 217 Ca 0.09 1.59 -0.31 0.00 0.00 0.00 0.00 51.96 53.33 2wr1 s ALA 217 Cb -0.16 -0.67 -0.09 0.00 0.00 0.00 0.00 23.12 22.20 2wr1 s ALA 217 CO 0.11 -0.31 1.38 0.99 0.00 0.00 0.00 175.76 177.93 2wr1 s THR 218 N -0.84 3.17 0.05 0.00 2.01 -1.21 -4.38 115.64 114.43 2wr1 s THR 218 Ca -0.03 0.88 -0.02 0.00 0.31 0.00 0.00 61.69 62.83 2wr1 s THR 218 Cb -0.01 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 2wr1 s THR 218 CO 0.02 0.10 0.00 -0.13 -0.69 0.00 0.00 174.62 173.92 2wr1 s ARG 219 N 0.59 0.61 0.68 4.92 0.52 -1.26 -5.13 118.95 119.88 2wr1 s ARG 219 Ca 0.62 -1.12 -0.16 0.00 -0.52 0.00 0.00 55.73 54.55 2wr1 s ARG 219 Cb -0.38 0.22 0.01 0.00 0.52 0.00 0.00 34.95 35.32 2wr1 s ARG 219 CO 0.34 -0.13 1.20 -2.14 0.02 0.00 0.00 175.30 174.59 2wr1 s PRO 220 N -3.64 2.46 0.10 3.54 0.02 -1.26 -4.52 135.00 131.70 2wr1 s PRO 220 Ca 0.04 1.74 -0.29 0.00 0.02 0.00 0.00 61.00 62.51 2wr1 s PRO 220 Cb 0.06 -1.87 -0.06 0.00 0.02 0.00 0.00 34.50 32.64 2wr1 s PRO 220 CO -0.09 -1.58 0.93 0.15 -0.33 0.00 0.00 177.00 176.08 2wr1 s LYS 221 N -3.76 4.67 -0.09 5.54 1.02 -1.26 -4.42 119.74 121.44 2wr1 s LYS 221 Ca 0.75 1.39 0.02 0.00 0.02 0.00 0.00 55.97 58.14 2wr1 s LYS 221 Cb -0.29 -3.37 0.02 0.00 -0.52 0.00 0.00 37.83 33.67 2wr1 s LYS 221 CO 0.41 0.23 -0.12 0.08 -0.92 0.00 0.00 175.35 175.03 2wr1 s VAL 222 N -0.03 1.21 -1.49 3.17 1.01 -0.42 -4.65 120.40 119.20 2wr1 s VAL 222 Ca 0.45 -0.48 -0.15 0.00 0.00 0.00 0.00 61.98 61.80 2wr1 s VAL 222 Cb -0.23 -1.13 0.13 0.00 0.00 0.00 0.00 36.38 35.15 2wr1 s VAL 222 CO 0.29 0.38 0.65 0.59 0.00 0.00 0.00 175.10 177.01 2wr1 n ASN 223 N 4.17 -3.32 0.00 3.32 3.02 -1.26 -1.17 115.26 120.02 2wr1 n ASN 223 Ca -0.20 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 2wr1 n ASN 223 Cb 0.51 -2.74 0.00 0.00 -0.61 0.00 0.00 39.78 36.94 2wr1 n ASN 223 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wr1 n GLY 224 N -1.26 0.96 3.23 7.41 0.00 -1.26 -4.16 105.19 110.11 2wr1 n GLY 224 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 2wr1 n GLY 224 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wr1 s GLN 225 N -0.52 2.67 0.16 1.61 -1.52 -0.31 -4.96 119.66 116.79 2wr1 s GLN 225 Ca 0.00 -0.86 0.24 0.00 -1.95 0.00 0.00 55.36 52.79 2wr1 s GLN 225 Cb 0.00 -2.15 0.31 0.00 -0.22 0.00 0.00 33.01 30.95 2wr1 s GLN 225 CO 0.00 0.28 1.32 0.78 -0.25 0.00 0.00 175.29 177.42 2wr1 h GLY 226 N 6.35 0.00 -1.28 3.09 0.00 -1.79 -1.12 103.07 108.32 2wr1 h GLY 226 Ca -0.27 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.55 2wr1 h GLY 226 CO 0.47 0.00 0.34 -0.32 0.00 0.00 0.00 176.54 177.03 2wr1 s GLY 227 N -3.82 1.66 0.14 4.60 0.00 -1.26 -4.38 107.32 104.26 2wr1 s GLY 227 Ca 0.05 0.10 0.05 0.00 0.00 0.00 0.00 44.72 44.93 2wr1 s GLY 227 CO 0.72 0.45 -0.12 0.50 0.00 0.00 0.00 173.10 174.66 2wr1 s ARG 228 N -5.00 1.04 -0.12 2.90 1.81 -0.12 -4.68 118.95 114.78 2wr1 s ARG 228 Ca 0.60 -1.35 0.01 0.00 -1.72 0.00 0.00 55.73 53.27 2wr1 s ARG 228 Cb -0.15 -0.75 0.02 0.00 -0.45 0.00 0.00 34.95 33.61 2wr1 s ARG 228 CO 0.55 0.12 -0.15 -1.64 -0.68 0.00 0.00 175.30 173.50 2wr1 s MET 229 N -3.25 2.27 -0.26 3.54 -1.94 0.59 0.06 119.30 120.30 2wr1 s MET 229 Ca 0.13 -0.57 -0.07 0.00 -1.71 0.00 0.00 55.69 53.47 2wr1 s MET 229 Cb -0.01 -1.96 -0.02 0.00 2.01 0.00 0.00 34.83 34.86 2wr1 s MET 229 CO 0.02 -0.10 0.08 -2.00 -0.01 0.00 0.00 175.02 173.01 2wr1 s GLU 230 N 1.09 3.50 0.09 2.03 2.12 -0.42 -1.54 118.70 125.56 2wr1 s GLU 230 Ca -0.04 -0.59 0.04 0.00 0.36 0.00 0.00 54.97 54.74 2wr1 s GLU 230 Cb -0.14 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 2wr1 s GLU 230 CO -0.04 -0.26 0.04 -0.06 -0.54 0.00 0.00 175.26 174.40 2wr1 s PHE 231 N 1.59 3.09 0.13 5.30 0.08 -0.60 -1.12 117.98 126.45 2wr1 s PHE 231 Ca 0.05 0.02 -0.02 0.00 0.12 0.00 0.00 56.93 57.11 2wr1 s PHE 231 Cb -0.16 -1.58 -0.04 0.00 -0.57 0.00 0.00 43.02 40.68 2wr1 s PHE 231 CO 0.03 0.50 0.07 -1.12 -0.10 0.00 0.00 175.22 174.60 2wr1 s SER 232 N -2.37 0.30 0.06 1.36 0.01 -0.26 -0.69 113.70 112.11 2wr1 s SER 232 Ca 0.28 -1.16 -0.07 0.00 1.31 0.00 0.00 55.95 56.30 2wr1 s SER 232 Cb -0.12 0.30 -0.01 0.00 0.21 0.00 0.00 66.02 66.41 2wr1 s SER 232 CO 0.20 -0.73 0.15 -1.66 0.41 0.00 0.00 173.24 171.61 2wr1 s TRP 233 N -4.03 0.16 0.15 2.43 1.48 -1.26 -2.03 118.94 115.84 2wr1 s TRP 233 Ca 0.22 -0.50 -0.10 0.00 -1.06 0.00 0.00 56.10 54.66 2wr1 s TRP 233 Cb 0.07 -0.10 0.00 0.00 -1.16 0.00 0.00 33.47 32.28 2wr1 s TRP 233 CO 0.01 -0.44 0.30 -0.08 -4.06 0.00 0.00 176.95 172.67 2wr1 s THR 234 N -3.10 0.08 -0.25 0.66 -1.32 -0.35 -5.00 115.64 106.35 2wr1 s THR 234 Ca -0.01 -1.22 -0.09 0.00 -1.21 0.00 0.00 61.69 59.16 2wr1 s THR 234 Cb 0.02 -1.66 -0.04 0.00 -1.51 0.00 0.00 72.50 69.30 2wr1 s THR 234 CO -0.07 -0.35 0.13 -0.76 -2.21 0.00 0.00 174.62 171.37 2wr1 s LEU 235 N -2.92 3.84 -0.15 9.08 1.43 -1.26 -1.36 118.68 127.33 2wr1 s LEU 235 Ca 0.13 -0.04 -0.19 0.00 -1.03 0.00 0.00 54.13 53.00 2wr1 s LEU 235 Cb 0.03 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 2wr1 s LEU 235 CO -0.03 0.00 0.53 -0.22 0.23 0.00 0.00 176.35 176.87 2wr1 s LEU 236 N 1.41 4.23 0.66 1.79 2.96 0.78 -4.87 118.68 125.64 2wr1 s LEU 236 Ca 0.06 0.82 -0.13 0.00 -0.22 0.00 0.00 54.13 54.66 2wr1 s LEU 236 Cb -0.15 -2.77 -0.00 0.00 0.50 0.00 0.00 46.19 43.77 2wr1 s LEU 236 CO 0.06 -0.10 1.07 -1.61 -1.32 0.00 0.00 176.35 174.45 2wr1 s GLU 237 N 1.11 2.98 0.16 1.98 0.41 -1.26 -0.73 118.70 123.35 2wr1 s GLU 237 Ca 0.27 1.12 -0.34 0.00 -0.41 0.00 0.00 54.97 55.61 2wr1 s GLU 237 Cb -0.16 -1.99 -0.15 0.00 -1.78 0.00 0.00 34.13 30.05 2wr1 s GLU 237 CO 0.11 -1.08 1.37 0.25 -0.49 0.00 0.00 175.26 175.43 2wr1 n THR 238 N -2.70 0.45 -0.26 3.63 -2.24 -1.26 -1.78 114.28 110.12 2wr1 n THR 238 Ca 0.08 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2wr1 n THR 238 Cb 0.53 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 2wr1 n THR 238 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 2wr1 n TRP 239 N 2.34 0.00 -2.10 4.78 5.03 0.24 -4.99 117.44 122.75 2wr1 n TRP 239 Ca 0.16 0.00 -0.29 0.00 3.03 0.00 0.00 57.50 60.39 2wr1 n TRP 239 Cb 0.26 -0.24 0.02 0.00 -1.03 0.00 0.00 31.31 30.32 2wr1 n TRP 239 CO 0.00 0.00 0.00 0.34 -0.03 0.00 0.00 177.69 178.00 2wr1 s ASP 240 N -3.35 5.86 -0.06 -0.99 2.15 -0.73 -4.75 116.67 114.79 2wr1 s ASP 240 Ca 0.00 1.11 0.04 0.00 0.43 0.00 0.00 52.55 54.13 2wr1 s ASP 240 Cb 0.00 -2.11 -0.02 0.00 -0.30 0.00 0.00 42.92 40.49 2wr1 s ASP 240 CO 0.00 -1.01 -0.20 -0.69 -0.17 0.00 0.00 175.17 173.10 2wr1 s VAL 241 N -3.13 2.53 -0.10 1.11 1.01 -1.26 -1.45 120.40 119.10 2wr1 s VAL 241 Ca 0.55 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 2wr1 s VAL 241 Cb -0.11 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 2wr1 s VAL 241 CO 0.50 0.57 -0.01 -0.51 0.00 0.00 0.00 175.10 175.65 2wr1 s ILE 242 N -0.29 4.22 -0.15 2.22 2.07 -0.51 -4.25 121.20 124.52 2wr1 s ILE 242 Ca 0.01 -0.27 0.00 0.00 -1.41 0.00 0.00 60.65 58.98 2wr1 s ILE 242 Cb -0.13 -2.79 0.02 0.00 0.13 0.00 0.00 42.46 39.69 2wr1 s ILE 242 CO 0.03 0.58 -0.15 0.20 -1.91 0.00 0.00 174.94 173.68 2wr1 s ASN 243 N -0.57 2.72 -0.09 4.50 0.01 -0.48 -1.13 114.94 119.90 2wr1 s ASN 243 Ca 0.09 -0.50 -0.03 0.00 -0.71 0.00 0.00 52.86 51.72 2wr1 s ASN 243 Cb -0.12 -1.20 -0.03 0.00 0.41 0.00 0.00 41.25 40.30 2wr1 s ASN 243 CO 0.02 -0.05 0.02 -0.36 -1.51 0.00 0.00 177.10 175.22 2wr1 s PHE 244 N 1.46 3.21 -0.04 2.20 0.08 -0.41 -1.41 117.98 123.07 2wr1 s PHE 244 Ca 0.05 0.22 -0.02 0.00 0.12 0.00 0.00 56.93 57.29 2wr1 s PHE 244 Cb -0.13 -1.82 0.03 0.00 -0.57 0.00 0.00 43.02 40.53 2wr1 s PHE 244 CO -0.11 0.48 0.10 -2.00 -0.10 0.00 0.00 175.22 173.59 2wr1 s GLU 245 N -0.83 0.06 -0.16 0.44 2.12 -0.17 -2.35 118.70 117.81 2wr1 s GLU 245 Ca 0.13 0.24 -0.14 0.00 0.36 0.00 0.00 54.97 55.56 2wr1 s GLU 245 Cb -0.11 -0.13 0.04 0.00 0.26 0.00 0.00 34.13 34.19 2wr1 s GLU 245 CO 0.02 -0.12 0.41 0.45 -0.54 0.00 0.00 175.26 175.49 2wr1 s SER 246 N 0.80 -0.44 0.00 -1.70 0.15 0.28 0.04 113.70 112.83 2wr1 s SER 246 Ca -0.06 0.84 0.21 0.00 0.70 0.00 0.00 55.95 57.63 2wr1 s SER 246 Cb -0.09 0.84 0.54 0.00 -1.71 0.00 0.00 66.02 65.60 2wr1 s SER 246 CO -0.03 -0.15 1.46 0.35 1.20 0.00 0.00 173.24 176.07 2wr1 n THR 247 N 2.96 0.69 0.00 6.45 -2.24 -0.78 0.13 114.28 121.49 2wr1 n THR 247 Ca -0.14 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.86 2wr1 n THR 247 Cb 0.57 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 2wr1 n THR 247 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr1 n GLY 248 N 1.48 4.20 2.23 3.38 0.00 -1.25 -4.74 105.19 110.49 2wr1 n GLY 248 Ca 0.20 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 45.15 2wr1 n GLY 248 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wr1 n ASN 249 N 0.00 -1.81 -4.71 1.61 3.02 -1.26 -4.17 115.26 107.94 2wr1 n ASN 249 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 2wr1 n ASN 249 Cb 0.00 -0.30 -0.03 0.00 -0.61 0.00 0.00 39.78 38.84 2wr1 n ASN 249 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2wr1 s LEU 250 N 0.00 4.36 -0.47 3.41 2.96 -1.26 -0.71 118.68 126.97 2wr1 s LEU 250 Ca 0.00 1.67 -0.13 0.00 -0.22 0.00 0.00 54.13 55.46 2wr1 s LEU 250 Cb 0.00 -3.57 0.09 0.00 0.50 0.00 0.00 46.19 43.21 2wr1 s LEU 250 CO 0.00 -0.29 0.37 -0.63 -1.32 0.00 0.00 176.35 174.47 2wr1 s ILE 251 N 1.11 4.79 0.26 6.68 -1.09 -0.01 -3.35 121.20 129.58 2wr1 s ILE 251 Ca 0.52 -1.34 -0.15 0.00 -2.23 0.00 0.00 60.65 57.45 2wr1 s ILE 251 Cb -0.21 -3.95 -0.08 0.00 -1.58 0.00 0.00 42.46 36.63 2wr1 s ILE 251 CO 0.27 -0.64 0.67 0.00 -1.23 0.00 0.00 174.94 174.02 2wr1 s ALA 252 N 1.53 3.42 0.49 9.38 0.00 -0.50 -1.08 121.76 135.01 2wr1 s ALA 252 Ca 0.04 -0.01 -0.19 0.00 0.00 0.00 0.00 51.96 51.79 2wr1 s ALA 252 Cb -0.25 -2.69 -0.08 0.00 0.00 0.00 0.00 23.12 20.10 2wr1 s ALA 252 CO 0.04 0.38 1.01 -1.25 0.00 0.00 0.00 175.76 175.94 2wr1 s PRO 253 N -2.56 3.86 -0.20 0.00 0.04 -1.24 -0.26 135.00 134.63 2wr1 s PRO 253 Ca 0.48 1.24 0.16 0.00 0.04 0.00 0.00 61.00 62.93 2wr1 s PRO 253 Cb -0.13 -2.11 -0.24 0.00 0.04 0.00 0.00 34.50 32.06 2wr1 s PRO 253 CO 0.19 -0.37 0.05 -1.91 0.04 0.00 0.00 177.00 175.00 2wr1 n GLU 254 N -1.08 0.69 -4.39 4.56 2.13 -0.05 -4.58 120.64 117.92 2wr1 n GLU 254 Ca 0.08 0.01 -0.28 0.00 0.66 0.00 0.00 57.16 57.64 2wr1 n GLU 254 Cb 0.53 -1.52 -0.12 0.00 0.27 0.00 0.00 31.44 30.60 2wr1 n GLU 254 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2wr1 s TYR 255 N -2.49 2.37 0.37 4.31 2.02 -1.22 -1.59 117.35 121.13 2wr1 s TYR 255 Ca -0.12 -0.34 0.08 0.00 -0.37 0.00 0.00 57.07 56.32 2wr1 s TYR 255 Cb 0.06 -1.21 -0.07 0.00 -0.40 0.00 0.00 41.96 40.35 2wr1 s TYR 255 CO 0.81 0.45 -0.04 0.20 -1.57 0.00 0.00 175.55 175.40 2wr1 s GLY 256 N -2.50 2.33 -0.13 0.71 0.00 0.23 -4.69 107.32 103.28 2wr1 s GLY 256 Ca 0.19 -2.19 0.01 0.00 0.00 0.00 0.00 44.72 42.73 2wr1 s GLY 256 CO 0.10 -2.05 -0.13 -1.36 0.00 0.00 0.00 173.10 169.66 2wr1 s PHE 257 N -2.69 1.92 -0.03 1.90 0.08 -0.15 -0.95 117.98 118.05 2wr1 s PHE 257 Ca 0.34 -1.01 -0.30 0.00 0.12 0.00 0.00 56.93 56.08 2wr1 s PHE 257 Cb 0.06 -1.44 -0.03 0.00 -0.57 0.00 0.00 43.02 41.04 2wr1 s PHE 257 CO 0.17 -0.57 1.07 0.15 -0.10 0.00 0.00 175.22 175.94 2wr1 s LYS 258 N 1.40 4.46 -0.10 0.44 1.02 -0.27 -0.57 119.74 126.12 2wr1 s LYS 258 Ca 0.02 1.52 -0.01 0.00 0.02 0.00 0.00 55.97 57.52 2wr1 s LYS 258 Cb -0.13 -3.49 0.03 0.00 -0.52 0.00 0.00 37.83 33.72 2wr1 s LYS 258 CO -0.07 -0.24 -0.05 -1.50 -0.92 0.00 0.00 175.35 172.56 2wr1 s ILE 259 N 1.57 0.85 -0.27 2.17 2.07 -0.33 -3.14 121.20 124.11 2wr1 s ILE 259 Ca 0.53 -0.18 -0.04 0.00 -1.41 0.00 0.00 60.65 59.55 2wr1 s ILE 259 Cb -0.22 -0.91 0.02 0.00 0.13 0.00 0.00 42.46 41.48 2wr1 s ILE 259 CO 0.24 0.33 0.01 -0.44 -1.91 0.00 0.00 174.94 173.17 2wr1 s SER 260 N 1.78 4.71 -0.08 4.50 0.01 -1.16 -4.36 113.70 119.11 2wr1 s SER 260 Ca 0.05 -0.84 -0.20 0.00 1.31 0.00 0.00 55.95 56.27 2wr1 s SER 260 Cb -0.12 -1.76 -0.04 0.00 0.21 0.00 0.00 66.02 64.30 2wr1 s SER 260 CO -0.07 -0.17 0.55 -0.54 0.41 0.00 0.00 173.24 173.41 2wr1 s LYS 261 N 1.39 4.34 -1.02 12.44 1.02 -1.26 -0.92 119.74 135.72 2wr1 s LYS 261 Ca 0.01 0.60 -0.02 0.00 0.02 0.00 0.00 55.97 56.58 2wr1 s LYS 261 Cb -0.17 -3.41 0.31 0.00 -0.52 0.00 0.00 37.83 34.04 2wr1 s LYS 261 CO -0.01 0.21 1.52 -2.13 -0.92 0.00 0.00 175.35 174.01 2wr1 n ARG 262 N 3.41 4.60 0.00 1.68 0.63 -1.13 -4.88 116.66 120.97 2wr1 n ARG 262 Ca -0.06 -4.61 0.00 0.00 -0.92 0.00 0.00 57.85 52.26 2wr1 n ARG 262 Cb 0.51 -2.47 0.00 0.00 0.45 0.00 0.00 32.46 30.95 2wr1 n ARG 262 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wr1 n GLY 263 N 0.84 -0.07 3.05 5.14 0.00 -1.26 -4.85 105.19 108.04 2wr1 n GLY 263 Ca 0.32 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.24 2wr1 n GLY 263 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wr1 s SER 264 N -4.00 0.11 0.00 1.61 1.04 -1.26 -4.66 113.70 106.54 2wr1 s SER 264 Ca 0.00 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2wr1 s SER 264 Cb 0.00 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.28 2wr1 s SER 264 CO 0.00 -0.32 0.00 -0.24 0.98 0.00 0.00 173.24 173.66 2wr1 n SER 265 N 1.61 0.00 -3.24 7.02 2.88 -1.26 -4.87 113.62 115.76 2wr1 n SER 265 Ca -0.23 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.25 2wr1 n SER 265 Cb 0.56 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.03 2wr1 n SER 265 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2wr1 s GLY 266 N 0.00 0.19 -0.14 0.46 0.00 -1.26 -4.76 107.32 101.80 2wr1 s GLY 266 Ca 0.00 -0.52 -0.07 0.00 0.00 0.00 0.00 44.72 44.13 2wr1 s GLY 266 CO 0.00 0.31 0.12 -0.42 0.00 0.00 0.00 173.10 173.11 2wr1 s ILE 267 N -2.63 5.31 -0.18 0.90 1.01 -1.26 -2.60 121.20 121.76 2wr1 s ILE 267 Ca 0.16 0.14 -0.02 0.00 0.00 0.00 0.00 60.65 60.93 2wr1 s ILE 267 Cb -0.04 -3.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.08 2wr1 s ILE 267 CO 0.09 0.56 -0.09 -0.32 0.00 0.00 0.00 174.94 175.18 2wr1 s MET 268 N -0.56 3.35 -0.28 2.79 -2.45 0.12 -4.78 119.30 117.49 2wr1 s MET 268 Ca 0.12 -0.66 -0.17 0.00 -1.25 0.00 0.00 55.69 53.72 2wr1 s MET 268 Cb -0.12 -2.82 -0.02 0.00 1.25 0.00 0.00 34.83 33.12 2wr1 s MET 268 CO 0.02 -0.03 0.49 0.15 1.05 0.00 0.00 175.02 176.70 2wr1 s LYS 269 N 1.01 3.98 0.04 4.11 -0.14 -1.26 -1.19 119.74 126.29 2wr1 s LYS 269 Ca -0.01 0.18 -0.27 0.00 -1.36 0.00 0.00 55.97 54.51 2wr1 s LYS 269 Cb -0.15 -3.68 0.09 0.00 -1.68 0.00 0.00 37.83 32.41 2wr1 s LYS 269 CO -0.01 -0.39 0.85 -0.08 -0.76 0.00 0.00 175.35 174.95 2wr1 s THR 270 N 2.29 0.00 -1.41 2.17 -1.32 -0.06 -4.85 115.64 112.46 2wr1 s THR 270 Ca 0.20 -0.07 0.24 0.00 -1.21 0.00 0.00 61.69 60.85 2wr1 s THR 270 Cb -0.16 -1.10 0.03 0.00 -1.51 0.00 0.00 72.50 69.76 2wr1 s THR 270 CO 0.10 0.00 1.29 -0.62 -2.21 0.00 0.00 174.62 173.18 2wr1 n GLU 271 N -0.29 0.47 -2.12 7.08 -0.58 -1.26 -3.90 120.64 120.03 2wr1 n GLU 271 Ca -0.10 -0.33 -0.33 0.00 -0.42 0.00 0.00 57.16 55.98 2wr1 n GLU 271 Cb 0.62 -1.49 0.01 0.00 -0.57 0.00 0.00 31.44 30.00 2wr1 n GLU 271 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2wr1 s LYS 272 N -2.76 3.34 0.27 3.49 1.02 -1.26 -5.07 119.74 118.77 2wr1 s LYS 272 Ca 0.16 1.30 0.12 0.00 0.02 0.00 0.00 55.97 57.56 2wr1 s LYS 272 Cb 0.18 -2.03 -0.05 0.00 -0.52 0.00 0.00 37.83 35.41 2wr1 s LYS 272 CO 0.66 -0.80 -0.20 0.95 -0.92 0.00 0.00 175.35 175.03 2wr1 s THR 273 N -2.28 2.44 0.78 2.17 -4.23 -1.26 -4.99 115.64 108.27 2wr1 s THR 273 Ca 0.66 -2.35 -0.15 0.00 -1.18 0.00 0.00 61.69 58.67 2wr1 s THR 273 Cb -0.17 -2.27 0.03 0.00 1.34 0.00 0.00 72.50 71.43 2wr1 s THR 273 CO 0.33 -0.36 0.90 -0.11 -0.54 0.00 0.00 174.62 174.84 2wr1 n LEU 274 N -0.48 2.90 -1.56 4.79 7.94 -1.26 -4.27 117.00 125.05 2wr1 n LEU 274 Ca -0.06 0.59 0.01 0.00 -1.11 0.00 0.00 56.01 55.43 2wr1 n LEU 274 Cb 0.59 -1.38 0.01 0.00 0.53 0.00 0.00 43.42 43.17 2wr1 n LEU 274 CO 0.37 -2.30 0.15 -0.62 -1.11 0.00 0.00 177.39 173.88 2wr1 n GLU 275 N -2.13 0.24 -3.99 1.96 1.02 -0.86 -4.94 120.64 111.94 2wr1 n GLU 275 Ca 0.12 -1.87 -0.26 0.00 -0.02 0.00 0.00 57.16 55.13 2wr1 n GLU 275 Cb 0.50 -0.02 -0.03 0.00 -0.02 0.00 0.00 31.44 31.87 2wr1 n GLU 275 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2wr1 n ASN 276 N 0.17 -0.25 -4.33 1.62 5.15 -1.26 -4.98 115.26 111.38 2wr1 n ASN 276 Ca -0.04 -1.03 -0.17 0.00 -0.60 0.00 0.00 54.58 52.74 2wr1 n ASN 276 Cb 0.99 -2.91 -0.10 0.00 -0.53 0.00 0.00 39.78 37.23 2wr1 n ASN 276 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wr1 s GLU 278 N -3.96 1.47 0.19 0.00 2.56 -1.26 -1.17 118.70 116.53 2wr1 s GLU 278 Ca 0.33 -1.18 -0.23 0.00 0.00 0.00 0.00 54.97 53.90 2wr1 s GLU 278 Cb 0.07 -1.76 0.05 0.00 2.00 0.00 0.00 34.13 34.49 2wr1 s GLU 278 CO 0.11 0.43 0.70 -0.08 -0.56 0.00 0.00 175.26 175.86 2wr1 s THR 279 N -0.96 0.00 -0.51 -1.70 -1.32 -0.69 -4.90 115.64 105.56 2wr1 s THR 279 Ca 0.11 -0.43 0.11 0.00 -1.21 0.00 0.00 61.69 60.27 2wr1 s THR 279 Cb -0.10 -1.45 -0.13 0.00 -1.51 0.00 0.00 72.50 69.31 2wr1 s THR 279 CO 0.04 0.00 0.48 0.29 -2.21 0.00 0.00 174.62 173.21 2wr1 n LYS 280 N -0.41 3.03 -3.54 7.08 4.76 -1.26 -2.45 118.16 125.38 2wr1 n LYS 280 Ca -0.11 -0.01 -0.14 0.00 -2.87 0.00 0.00 58.31 55.19 2wr1 n LYS 280 Cb 0.62 -1.06 -0.12 0.00 -1.84 0.00 0.00 35.03 32.64 2wr1 n LYS 280 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wr1 s GLN 282 N 2.43 2.97 0.32 0.00 2.00 -0.13 -0.72 119.66 126.53 2wr1 s GLN 282 Ca 0.05 -0.63 0.09 0.00 -2.00 0.00 0.00 55.36 52.88 2wr1 s GLN 282 Cb -0.14 -2.58 -0.06 0.00 0.80 0.00 0.00 33.01 31.03 2wr1 s GLN 282 CO -0.12 0.47 -0.11 0.95 -0.50 0.00 0.00 175.29 175.99 2wr1 s THR 283 N -0.31 2.15 -0.18 -0.34 -4.23 -0.78 -1.55 115.64 110.41 2wr1 s THR 283 Ca 0.03 -2.22 0.26 0.00 -1.18 0.00 0.00 61.69 58.58 2wr1 s THR 283 Cb -0.13 -2.55 0.27 0.00 1.34 0.00 0.00 72.50 71.43 2wr1 s THR 283 CO 0.03 -0.26 1.78 -0.65 -0.54 0.00 0.00 174.62 174.98 2wr1 h PRO 284 N 2.12 0.00 0.00 3.99 0.11 -1.89 -2.13 132.00 134.20 2wr1 h PRO 284 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2wr1 h PRO 284 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2wr1 h PRO 284 CO 0.68 0.00 -1.18 1.28 -0.21 0.00 0.00 178.00 178.57 2wr1 n LEU 285 N -2.41 0.57 0.00 2.35 4.77 -1.26 -4.83 117.00 116.19 2wr1 n LEU 285 Ca -0.00 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2wr1 n LEU 285 Cb 0.13 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2wr1 n LEU 285 CO 0.16 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 2wr1 n GLY 286 N 1.30 2.76 3.86 -0.72 0.00 -0.80 -4.07 105.19 107.52 2wr1 n GLY 286 Ca 0.00 -1.31 -0.32 0.00 0.00 0.00 0.00 46.02 44.39 2wr1 n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr1 s ALA 287 N -2.00 3.43 -0.15 4.61 0.00 -0.81 -1.86 121.76 124.98 2wr1 s ALA 287 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 51.96 51.82 2wr1 s ALA 287 Cb 0.00 -2.62 -0.02 0.00 0.00 0.00 0.00 23.12 20.48 2wr1 s ALA 287 CO 0.00 0.38 -0.08 0.42 0.00 0.00 0.00 175.76 176.47 2wr1 s ILE 288 N -1.95 3.44 -0.30 0.00 1.01 0.10 -1.96 121.20 121.54 2wr1 s ILE 288 Ca 0.51 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.66 2wr1 s ILE 288 Cb -0.11 -2.48 0.09 0.00 0.01 0.00 0.00 42.46 39.97 2wr1 s ILE 288 CO 0.20 0.50 0.02 0.21 0.00 0.00 0.00 174.94 175.88 2wr1 s ASN 289 N 0.42 4.35 -0.02 3.58 2.47 -1.26 -3.88 114.94 120.60 2wr1 s ASN 289 Ca -0.07 -1.73 -0.24 0.00 0.42 0.00 0.00 52.86 51.24 2wr1 s ASN 289 Cb -0.15 -1.34 0.05 0.00 -1.45 0.00 0.00 41.25 38.36 2wr1 s ASN 289 CO 0.04 -0.33 0.52 0.28 -3.72 0.00 0.00 177.10 173.89 2wr1 s THR 290 N 1.20 0.03 -1.06 -5.21 -1.32 -1.26 -5.00 115.64 103.01 2wr1 s THR 290 Ca 0.05 -0.21 0.24 0.00 -1.21 0.00 0.00 61.69 60.56 2wr1 s THR 290 Cb -0.19 -0.86 -0.03 0.00 -1.51 0.00 0.00 72.50 69.91 2wr1 s THR 290 CO -0.11 -0.12 1.31 0.35 -2.21 0.00 0.00 174.62 173.85 2wr1 n THR 291 N 0.95 0.00 -2.21 5.08 -2.24 -1.26 -4.98 114.28 109.61 2wr1 n THR 291 Ca -0.20 -0.01 -0.37 0.00 -2.27 0.00 0.00 64.05 61.20 2wr1 n THR 291 Cb 0.57 0.43 -0.01 0.00 -2.10 0.00 0.00 70.33 69.22 2wr1 n THR 291 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2wr1 s LEU 292 N -2.96 4.03 0.32 3.22 1.43 -1.26 -4.93 118.68 118.52 2wr1 s LEU 292 Ca 0.11 2.36 0.26 0.00 -1.03 0.00 0.00 54.13 55.83 2wr1 s LEU 292 Cb 0.17 -4.21 0.80 0.00 0.03 0.00 0.00 46.19 42.98 2wr1 s LEU 292 CO 0.72 -0.94 1.75 1.55 0.23 0.00 0.00 176.35 179.66 2wr1 h PRO 293 N 2.09 0.00 -4.93 1.29 0.13 -1.86 -3.42 132.00 125.29 2wr1 h PRO 293 Ca -0.49 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.33 2wr1 h PRO 293 Cb 1.25 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.21 2wr1 h PRO 293 CO 0.60 0.00 -0.72 -0.06 -0.23 0.00 0.00 178.00 177.59 2wr1 s PHE 294 N -3.24 1.07 0.12 1.56 0.08 -1.23 -1.53 117.98 114.82 2wr1 s PHE 294 Ca 0.07 -0.71 -0.11 0.00 0.12 0.00 0.00 56.93 56.30 2wr1 s PHE 294 Cb 0.10 -0.58 0.01 0.00 -0.57 0.00 0.00 43.02 41.97 2wr1 s PHE 294 CO 0.57 -0.01 0.29 -3.38 -0.10 0.00 0.00 175.22 172.59 2wr1 s HIS 295 N -2.80 0.09 -0.10 0.36 -3.43 -0.59 -0.44 115.29 108.38 2wr1 s HIS 295 Ca 0.09 -0.47 0.15 0.00 -0.80 0.00 0.00 55.06 54.02 2wr1 s HIS 295 Cb -0.01 0.06 0.33 0.00 -1.43 0.00 0.00 32.58 31.53 2wr1 s HIS 295 CO -0.01 -0.65 1.16 0.27 -2.00 0.00 0.00 174.74 173.51 2wr1 n ASN 296 N -0.16 1.35 -0.05 7.38 6.94 -1.09 -1.77 115.26 127.87 2wr1 n ASN 296 Ca -0.13 -2.88 -0.14 0.00 -0.02 0.00 0.00 54.58 51.40 2wr1 n ASN 296 Cb 0.63 -0.39 -0.12 0.00 -2.36 0.00 0.00 39.78 37.54 2wr1 n ASN 296 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 2wr1 h ILE 297 N 3.49 1.67 -1.57 1.53 2.04 -1.89 -3.48 117.51 119.30 2wr1 h ILE 297 Ca -0.07 -2.03 0.07 0.00 1.00 0.00 0.00 64.86 63.83 2wr1 h ILE 297 Cb 1.32 3.04 -0.26 0.00 -0.74 0.00 0.00 36.82 40.19 2wr1 h ILE 297 CO 0.03 0.53 0.49 -2.28 0.00 0.00 0.00 178.15 176.92 2wr1 s HIS 298 N -2.79 -0.43 -0.47 1.37 5.04 -1.26 -5.03 115.29 111.71 2wr1 s HIS 298 Ca -0.18 0.99 0.23 0.00 -1.54 0.00 0.00 55.06 54.56 2wr1 s HIS 298 Cb -0.01 0.39 0.39 0.00 0.04 0.00 0.00 32.58 33.38 2wr1 s HIS 298 CO 0.69 -0.25 1.62 -1.00 -2.34 0.00 0.00 174.74 173.47 2wr1 h PRO 299 N 3.75 0.00 -3.55 2.88 0.13 -1.98 -3.40 132.00 129.84 2wr1 h PRO 299 Ca -0.26 0.00 -0.76 0.00 -0.87 0.00 0.00 66.00 64.11 2wr1 h PRO 299 Cb 1.17 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.14 2wr1 h PRO 299 CO 0.16 0.00 1.93 1.28 -0.23 0.00 0.00 178.00 181.14 2wr1 n LEU 300 N -3.00 6.56 -4.97 1.56 4.77 -1.26 -4.84 117.00 115.82 2wr1 n LEU 300 Ca 0.04 -4.66 -0.21 0.00 -0.03 0.00 0.00 56.01 51.15 2wr1 n LEU 300 Cb 0.52 -1.48 0.02 0.00 -2.33 0.00 0.00 43.42 40.15 2wr1 n LEU 300 CO 0.34 1.35 0.27 0.42 -1.33 0.00 0.00 177.39 178.44 2wr1 s THR 301 N 0.31 3.54 -0.05 -5.08 -4.23 -1.26 -4.30 115.64 104.56 2wr1 s THR 301 Ca 0.39 -0.65 -0.02 0.00 -1.18 0.00 0.00 61.69 60.24 2wr1 s THR 301 Cb 0.09 -3.29 0.04 0.00 1.34 0.00 0.00 72.50 70.67 2wr1 s THR 301 CO 0.01 -0.19 0.09 -0.63 -0.54 0.00 0.00 174.62 173.37 2wr1 s ILE 302 N -2.55 -0.13 -4.05 2.99 1.01 -0.59 -1.69 121.20 116.18 2wr1 s ILE 302 Ca 0.51 0.33 0.00 0.00 0.00 0.00 0.00 60.65 61.49 2wr1 s ILE 302 Cb -0.10 -0.19 0.00 0.00 0.01 0.00 0.00 42.46 42.18 2wr1 s ILE 302 CO 0.37 0.14 0.00 0.61 0.00 0.00 0.00 174.94 176.06 2wr1 n GLY 303 N 4.92 0.86 3.25 6.18 0.00 -0.52 -0.95 105.19 118.93 2wr1 n GLY 303 Ca -0.12 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.56 2wr1 n GLY 303 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wr1 s GLU 304 N -1.62 2.72 0.17 1.61 2.02 -0.06 -0.40 118.70 123.14 2wr1 s GLU 304 Ca 0.00 -1.80 0.09 0.00 0.02 0.00 0.00 54.97 53.28 2wr1 s GLU 304 Cb 0.00 -4.08 -0.04 0.00 0.10 0.00 0.00 34.13 30.10 2wr1 s GLU 304 CO 0.00 -1.25 -0.12 0.00 0.02 0.00 0.00 175.26 173.91 2wr1 n PRO 306 N 0.17 -1.29 -2.39 0.00 -0.02 -1.26 -4.79 135.00 125.42 2wr1 n PRO 306 Ca -0.12 -0.33 -0.41 0.00 -2.02 0.00 0.00 63.50 60.62 2wr1 n PRO 306 Cb 0.55 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 2wr1 n PRO 306 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2wr1 s LYS 307 N -4.35 4.49 0.02 -0.52 -0.14 -0.58 -4.70 119.74 113.97 2wr1 s LYS 307 Ca 0.66 1.84 -0.28 0.00 -1.36 0.00 0.00 55.97 56.83 2wr1 s LYS 307 Cb -0.23 -3.26 -0.04 0.00 -1.68 0.00 0.00 37.83 32.62 2wr1 s LYS 307 CO 0.62 -0.10 0.90 -0.47 -0.76 0.00 0.00 175.35 175.54 2wr1 s TYR 308 N 0.11 3.70 0.11 3.18 5.04 -1.26 -1.55 117.35 126.68 2wr1 s TYR 308 Ca 0.53 1.62 0.03 0.00 -2.44 0.00 0.00 57.07 56.81 2wr1 s TYR 308 Cb -0.32 -3.01 -0.04 0.00 0.35 0.00 0.00 41.96 38.94 2wr1 s TYR 308 CO 0.35 0.10 -0.08 0.14 -1.34 0.00 0.00 175.55 174.72 2wr1 s VAL 309 N 0.57 0.89 -1.17 3.14 -7.23 -0.73 -4.75 120.40 111.12 2wr1 s VAL 309 Ca 0.46 -1.91 -0.05 0.00 -1.81 0.00 0.00 61.98 58.67 2wr1 s VAL 309 Cb -0.21 -1.67 0.24 0.00 0.56 0.00 0.00 36.38 35.31 2wr1 s VAL 309 CO 0.26 -0.77 1.80 0.29 -0.31 0.00 0.00 175.10 176.36 2wr1 n LYS 310 N 0.03 4.43 -4.05 4.82 5.02 -1.26 -4.47 118.16 122.68 2wr1 n LYS 310 Ca -0.12 -4.12 -0.12 0.00 -2.02 0.00 0.00 58.31 51.93 2wr1 n LYS 310 Cb 0.60 -2.64 -0.11 0.00 -0.02 0.00 0.00 35.03 32.86 2wr1 n LYS 310 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2wr1 s SER 311 N -0.64 0.71 0.00 4.39 0.15 -1.26 -5.04 113.70 112.01 2wr1 s SER 311 Ca 0.38 -0.57 0.12 0.00 0.70 0.00 0.00 55.95 56.58 2wr1 s SER 311 Cb 0.11 0.06 -0.03 0.00 -1.71 0.00 0.00 66.02 64.44 2wr1 s SER 311 CO 0.01 -0.25 0.64 0.47 1.20 0.00 0.00 173.24 175.31 2wr1 n ASP 312 N 1.39 1.12 -3.57 5.45 8.00 -1.26 -4.75 116.55 122.93 2wr1 n ASP 312 Ca -0.22 -1.06 -0.01 0.00 0.71 0.00 0.00 54.79 54.20 2wr1 n ASP 312 Cb 0.55 0.61 -0.05 0.00 -0.02 0.00 0.00 41.12 42.21 2wr1 n ASP 312 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2wr1 s ARG 313 N -1.66 0.48 -0.39 -1.24 3.52 -1.26 -5.11 118.95 113.29 2wr1 s ARG 313 Ca 0.08 1.08 0.01 0.00 -0.13 0.00 0.00 55.73 56.77 2wr1 s ARG 313 Cb 0.09 0.51 0.13 0.00 -1.56 0.00 0.00 34.95 34.12 2wr1 s ARG 313 CO 0.34 -0.14 0.19 -0.51 -0.81 0.00 0.00 175.30 174.37 2wr1 s LEU 314 N 2.33 2.31 -0.22 -0.88 1.43 -1.26 -5.04 118.68 117.35 2wr1 s LEU 314 Ca -0.06 -2.28 -0.04 0.00 -1.03 0.00 0.00 54.13 50.72 2wr1 s LEU 314 Cb -0.08 -0.89 -0.01 0.00 0.03 0.00 0.00 46.19 45.24 2wr1 s LEU 314 CO -0.18 -0.32 -0.05 -0.69 0.23 0.00 0.00 176.35 175.34 2wr1 s VAL 315 N 0.82 3.31 -0.12 -1.59 1.01 -1.26 -0.92 120.40 121.64 2wr1 s VAL 315 Ca 0.15 -0.51 -0.18 0.00 0.00 0.00 0.00 61.98 61.44 2wr1 s VAL 315 Cb -0.22 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 2wr1 s VAL 315 CO -0.06 0.43 0.47 -0.76 0.00 0.00 0.00 175.10 175.17 2wr1 s LEU 316 N 1.46 4.27 0.32 3.92 1.43 0.36 -4.70 118.68 125.75 2wr1 s LEU 316 Ca 0.06 0.80 -0.29 0.00 -1.03 0.00 0.00 54.13 53.67 2wr1 s LEU 316 Cb -0.14 -2.68 -0.11 0.00 0.03 0.00 0.00 46.19 43.29 2wr1 s LEU 316 CO -0.04 0.00 1.42 0.00 0.23 0.00 0.00 176.35 177.97 2wr1 s ALA 317 N 0.62 3.58 -0.01 4.21 0.00 -1.26 -0.52 121.76 128.38 2wr1 s ALA 317 Ca 0.26 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.62 2wr1 s ALA 317 Cb -0.15 -3.55 -0.00 0.00 0.00 0.00 0.00 23.12 19.41 2wr1 s ALA 317 CO 0.10 -0.82 -0.01 0.25 0.00 0.00 0.00 175.76 175.28 2wr1 n THR 318 N 1.21 0.04 -0.93 0.00 -2.24 -0.71 -4.84 114.28 106.79 2wr1 n THR 318 Ca 0.03 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2wr1 n THR 318 Cb 0.40 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 2wr1 n THR 318 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr1 n GLY 319 N 3.45 -0.42 3.98 3.38 0.00 -0.39 -4.96 105.19 110.24 2wr1 n GLY 319 Ca -0.01 -1.73 -0.21 0.00 0.00 0.00 0.00 46.02 44.06 2wr1 n GLY 319 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2wr1 s LEU 320 N 0.00 3.08 0.20 0.99 2.34 -1.26 -4.70 118.68 119.33 2wr1 s LEU 320 Ca 0.00 -0.90 -0.33 0.00 0.06 0.00 0.00 54.13 52.96 2wr1 s LEU 320 Cb 0.00 -1.66 -0.14 0.00 -0.56 0.00 0.00 46.19 43.83 2wr1 s LEU 320 CO 0.00 -1.15 1.52 -1.14 -1.06 0.00 0.00 176.35 174.52 2wr1 n ARG 321 N -2.01 2.15 -3.00 1.48 0.63 -1.26 -0.94 116.66 113.71 2wr1 n ARG 321 Ca 0.09 0.77 -0.43 0.00 -0.92 0.00 0.00 57.85 57.36 2wr1 n ARG 321 Cb 0.62 -2.50 -0.05 0.00 0.45 0.00 0.00 32.46 30.98 2wr1 n ARG 321 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2wr1 s ASN 322 N 0.65 6.28 -0.65 6.15 2.47 0.65 -4.74 114.94 125.76 2wr1 s ASN 322 Ca 0.74 -0.62 0.06 0.00 0.42 0.00 0.00 52.86 53.46 2wr1 s ASN 322 Cb -0.65 -2.36 0.26 0.00 -1.45 0.00 0.00 41.25 37.05 2wr1 s ASN 322 CO 0.43 -1.05 0.80 0.52 -3.72 0.00 0.00 177.10 174.08 2wr1 n VAL 323 N 5.91 2.56 -1.70 -5.21 0.31 -1.26 -4.85 118.33 114.09 2wr1 n VAL 323 Ca -0.02 -5.29 -0.38 0.00 -0.01 0.00 0.00 64.34 58.63 2wr1 n VAL 323 Cb 0.46 -2.02 0.05 0.00 -0.91 0.00 0.00 33.84 31.42 2wr1 n VAL 323 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2wr1 n PRO 324 N 0.74 1.30 -4.44 5.55 -0.04 -1.26 -0.16 135.00 136.69 2wr1 n PRO 324 Ca 0.30 0.49 -0.22 0.00 -0.04 0.00 0.00 63.50 64.03 2wr1 n PRO 324 Cb 0.40 -2.42 -0.10 0.00 -0.04 0.00 0.00 33.50 31.35 2wr1 n PRO 324 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2wr1 s GLN 325 N -2.92 1.58 0.00 0.54 -0.21 -1.26 -4.81 119.66 112.59 2wr1 s GLN 325 Ca 0.75 -1.72 0.00 0.00 0.02 0.00 0.00 55.36 54.41 2wr1 s GLN 325 Cb -0.42 -1.59 0.00 0.00 1.00 0.00 0.00 33.01 32.00 2wr1 s GLN 325 CO 0.47 0.29 0.66 0.44 -2.12 0.00 0.00 175.29 175.03 2wr1 n ILE 326 N -0.56 0.88 0.00 1.08 -5.35 -1.26 -4.97 119.36 109.18 2wr1 n ILE 326 Ca -0.06 0.32 0.00 0.00 -0.27 0.00 0.00 62.75 62.74 2wr1 n ILE 326 Cb 0.60 -1.32 0.00 0.00 -1.74 0.00 0.00 39.64 37.18 2wr1 n ILE 326 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wr1 n GLY 330 N -1.16 1.82 0.37 3.28 0.00 -1.26 -5.17 105.19 103.06 2wr1 n GLY 330 Ca 0.00 -2.05 0.07 0.00 0.00 0.00 0.00 46.02 44.03 2wr1 n GLY 330 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wr1 h LEU 331 N 0.00 0.85 -1.12 0.99 3.38 -1.94 -2.75 115.31 114.72 2wr1 h LEU 331 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2wr1 h LEU 331 Cb 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.60 2wr1 h LEU 331 CO 0.00 0.50 -0.33 0.49 0.09 0.00 0.00 178.44 179.19 2wr1 n PHE 332 N -4.53 0.00 -0.90 1.13 3.72 -1.26 -4.97 117.46 110.64 2wr1 n PHE 332 Ca 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 2wr1 n PHE 332 Cb 0.29 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 2wr1 n PHE 332 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wr1 n GLY 333 N 1.38 0.47 0.03 1.37 0.00 -1.04 -4.88 105.19 102.52 2wr1 n GLY 333 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 2wr1 n GLY 333 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr1 h ALA 334 N 0.00 0.00 -2.50 4.61 0.00 -1.87 0.31 119.26 119.80 2wr1 h ALA 334 Ca 0.00 -0.18 -0.53 0.00 0.00 0.00 0.00 54.91 54.20 2wr1 h ALA 334 Cb 0.19 0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.11 2wr1 h ALA 334 CO 0.00 0.11 0.95 0.42 0.00 0.00 0.00 179.25 180.72 2wr1 s ILE 335 N -1.38 2.92 -1.47 0.00 1.01 -1.26 -1.09 121.20 119.92 2wr1 s ILE 335 Ca -0.03 0.50 -0.03 0.00 0.00 0.00 0.00 60.65 61.08 2wr1 s ILE 335 Cb 0.00 -3.32 0.01 0.00 0.01 0.00 0.00 42.46 39.17 2wr1 s ILE 335 CO 0.05 0.01 0.31 0.00 0.00 0.00 0.00 174.94 175.31 2wr1 n ALA 336 N 4.99 -0.86 -2.07 9.38 0.00 -1.13 -4.45 120.51 126.37 2wr1 n ALA 336 Ca 0.15 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.78 2wr1 n ALA 336 Cb 0.40 -2.80 0.00 0.00 0.00 0.00 0.00 19.45 17.04 2wr1 n ALA 336 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wr1 n GLY 337 N -1.19 3.66 0.27 0.00 0.00 -0.25 -4.91 105.19 102.77 2wr1 n GLY 337 Ca -0.14 -0.46 0.16 0.00 0.00 0.00 0.00 46.02 45.59 2wr1 n GLY 337 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2wr1 h PHE 338 N 0.00 0.00 -3.30 1.61 -5.15 -0.78 -3.29 116.94 106.03 2wr1 h PHE 338 Ca 0.00 0.00 -0.73 0.00 -0.20 0.00 0.00 57.97 57.04 2wr1 h PHE 338 Cb 0.00 0.00 -0.26 0.00 0.22 0.00 0.00 35.95 35.91 2wr1 h PHE 338 CO 0.00 0.05 -0.36 0.42 -2.00 0.00 0.00 178.31 176.42 2wr1 s ILE 339 N -3.77 4.68 0.27 0.88 1.01 -0.73 -3.15 121.20 120.39 2wr1 s ILE 339 Ca -0.00 -1.43 -0.01 0.00 0.00 0.00 0.00 60.65 59.21 2wr1 s ILE 339 Cb 0.10 -3.92 0.25 0.00 0.01 0.00 0.00 42.46 38.90 2wr1 s ILE 339 CO 0.55 -0.67 1.82 -0.33 0.00 0.00 0.00 174.94 176.31 2wr1 h GLU 340 N 8.61 0.87 -3.36 2.79 5.08 -1.82 -2.98 114.58 123.77 2wr1 h GLU 340 Ca -0.25 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 57.96 2wr1 h GLU 340 Cb 1.09 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 2wr1 h GLU 340 CO 0.87 0.57 0.12 0.20 -1.00 0.00 0.00 179.01 179.78 2wr1 s GLY 341 N -3.41 0.69 0.68 -3.84 0.00 -1.26 -4.28 107.32 95.89 2wr1 s GLY 341 Ca -0.12 -0.96 0.04 0.00 0.00 0.00 0.00 44.72 43.67 2wr1 s GLY 341 CO 0.80 -0.51 0.93 -0.32 0.00 0.00 0.00 173.10 174.00 2wr1 s GLY 342 N -3.11 1.73 -0.26 0.20 0.00 0.78 -4.65 107.32 102.01 2wr1 s GLY 342 Ca 0.20 -1.98 0.02 0.00 0.00 0.00 0.00 44.72 42.96 2wr1 s GLY 342 CO 0.14 -1.42 -0.06 -0.98 0.00 0.00 0.00 173.10 170.78 2wr1 s TRP 343 N -2.98 2.95 0.45 1.90 0.51 0.11 -4.23 118.94 117.65 2wr1 s TRP 343 Ca 0.66 -2.18 0.20 0.00 -2.12 0.00 0.00 56.10 52.65 2wr1 s TRP 343 Cb -0.05 -1.92 1.22 0.00 -0.81 0.00 0.00 33.47 31.91 2wr1 s TRP 343 CO 0.43 -0.85 2.04 1.96 -0.51 0.00 0.00 176.95 180.02 2wr1 h GLN 344 N 7.83 0.00 0.00 4.98 4.20 -1.86 -2.53 115.11 127.73 2wr1 h GLN 344 Ca -0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.55 2wr1 h GLN 344 Cb 1.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.83 2wr1 h GLN 344 CO 0.45 0.14 0.00 0.41 -0.67 0.00 0.00 178.83 179.16 2wr1 n GLY 345 N -0.95 -1.11 3.31 3.46 0.00 -1.26 -4.48 105.19 104.16 2wr1 n GLY 345 Ca -0.02 -0.10 -0.44 0.00 0.00 0.00 0.00 46.02 45.46 2wr1 n GLY 345 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2wr1 s MET 346 N -2.72 2.86 -0.00 1.61 -2.45 -1.02 -4.89 119.30 112.69 2wr1 s MET 346 Ca 0.18 -1.59 0.08 0.00 -1.25 0.00 0.00 55.69 53.10 2wr1 s MET 346 Cb 0.15 -4.13 -0.09 0.00 1.25 0.00 0.00 34.83 32.01 2wr1 s MET 346 CO 0.36 -1.18 0.30 1.33 1.05 0.00 0.00 175.02 176.89 2wr1 n VAL 347 N 5.14 0.00 -0.77 10.11 0.24 -1.26 -4.52 118.33 127.28 2wr1 n VAL 347 Ca -0.12 -0.30 0.08 0.00 -2.04 0.00 0.00 64.34 61.97 2wr1 n VAL 347 Cb 0.41 0.89 0.38 0.00 -1.47 0.00 0.00 33.84 34.05 2wr1 n VAL 347 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2wr1 n ASP 348 N -1.28 5.23 -3.60 -1.34 5.75 -1.26 -4.97 116.55 115.07 2wr1 n ASP 348 Ca 0.01 -2.69 -0.03 0.00 -0.01 0.00 0.00 54.79 52.07 2wr1 n ASP 348 Cb 0.13 -0.63 -0.01 0.00 -1.03 0.00 0.00 41.12 39.58 2wr1 n ASP 348 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2wr1 s GLY 349 N -0.88 -0.35 0.08 6.12 0.00 -1.26 -4.82 107.32 106.21 2wr1 s GLY 349 Ca 0.53 1.06 0.00 0.00 0.00 0.00 0.00 44.72 46.31 2wr1 s GLY 349 CO 0.20 0.32 1.16 1.49 0.00 0.00 0.00 173.10 176.27 2wr1 h TRP 350 N 2.00 0.30 -3.95 1.90 6.55 -1.90 -3.40 115.95 117.45 2wr1 h TRP 350 Ca -0.19 -0.22 -0.31 0.00 0.95 0.00 0.00 58.89 59.11 2wr1 h TRP 350 Cb 1.20 -0.01 -0.24 0.00 -0.86 0.00 0.00 29.16 29.25 2wr1 h TRP 350 CO 0.30 1.18 -0.75 0.71 -1.05 0.00 0.00 178.44 178.83 2wr1 s TYR 351 N -2.67 0.68 0.00 0.49 2.02 -1.26 -0.87 117.35 115.74 2wr1 s TYR 351 Ca -0.02 -0.35 0.00 0.00 -0.37 0.00 0.00 57.07 56.33 2wr1 s TYR 351 Cb 0.08 -0.41 0.00 0.00 -0.40 0.00 0.00 41.96 41.23 2wr1 s TYR 351 CO 0.86 -0.04 0.00 0.41 -1.57 0.00 0.00 175.55 175.21 2wr1 n GLY 352 N 2.01 1.82 3.15 0.71 0.00 -0.40 -0.24 105.19 112.24 2wr1 n GLY 352 Ca -0.19 -0.38 -0.18 0.00 0.00 0.00 0.00 46.02 45.27 2wr1 n GLY 352 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wr1 s TYR 353 N -1.23 1.16 -0.08 1.61 2.02 0.79 -0.81 117.35 120.80 2wr1 s TYR 353 Ca 0.00 -0.44 0.05 0.00 -0.37 0.00 0.00 57.07 56.31 2wr1 s TYR 353 Cb 0.00 -0.66 -0.00 0.00 -0.40 0.00 0.00 41.96 40.90 2wr1 s TYR 353 CO 0.00 0.04 -0.23 -1.58 -1.57 0.00 0.00 175.55 172.21 2wr1 s HIS 354 N -1.19 2.35 0.29 2.71 5.65 0.41 -0.29 115.29 125.22 2wr1 s HIS 354 Ca -0.02 -0.84 0.06 0.00 0.25 0.00 0.00 55.06 54.51 2wr1 s HIS 354 Cb -0.09 -1.57 -0.06 0.00 -1.18 0.00 0.00 32.58 29.68 2wr1 s HIS 354 CO 0.02 -0.32 -0.04 -3.38 -0.65 0.00 0.00 174.74 170.37 2wr1 s HIS 355 N 0.16 1.97 -0.19 3.88 -3.43 0.17 0.46 115.29 118.32 2wr1 s HIS 355 Ca -0.12 -0.73 -0.07 0.00 -0.80 0.00 0.00 55.06 53.34 2wr1 s HIS 355 Cb -0.16 -1.16 0.09 0.00 -1.43 0.00 0.00 32.58 29.92 2wr1 s HIS 355 CO 0.06 0.25 0.41 0.45 -2.00 0.00 0.00 174.74 173.91 2wr1 s SER 356 N -3.46 -0.23 0.00 7.38 0.15 -0.09 -4.16 113.70 113.29 2wr1 s SER 356 Ca 0.31 0.96 0.00 0.00 0.70 0.00 0.00 55.95 57.92 2wr1 s SER 356 Cb 0.05 1.27 0.00 0.00 -1.71 0.00 0.00 66.02 65.63 2wr1 s SER 356 CO 0.13 -0.23 0.00 -0.46 1.20 0.00 0.00 173.24 173.88 2wr1 n ASN 357 N 5.31 0.25 -0.07 5.45 0.23 -0.70 -1.37 115.26 124.36 2wr1 n ASN 357 Ca -0.09 -0.23 -0.01 0.00 -0.53 0.00 0.00 54.58 53.72 2wr1 n ASN 357 Cb 0.50 0.00 0.27 0.00 -2.08 0.00 0.00 39.78 38.46 2wr1 n ASN 357 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2wr1 h ASP 358 N 0.00 0.62 0.66 0.53 3.32 -2.00 -3.20 116.42 116.36 2wr1 h ASP 358 Ca 0.00 -0.10 -0.16 0.00 0.02 0.00 0.00 57.03 56.79 2wr1 h ASP 358 Cb 0.00 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 2wr1 h ASP 358 CO 0.00 0.62 -0.75 1.56 -1.72 0.00 0.00 179.24 178.94 2wr1 h GLN 359 N 0.66 0.07 0.00 3.56 4.20 -1.96 -3.50 115.11 118.15 2wr1 h GLN 359 Ca 0.15 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2wr1 h GLN 359 Cb 0.24 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2wr1 h GLN 359 CO -0.00 0.79 0.00 0.41 -0.67 0.00 0.00 178.83 179.36 2wr1 n GLY 360 N 0.62 -0.09 0.00 3.46 0.00 -1.21 -5.15 105.19 102.82 2wr1 n GLY 360 Ca -0.02 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.79 2wr1 n GLY 360 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wr1 n SER 361 N 0.00 0.00 0.00 1.61 3.41 -1.26 -1.72 113.62 115.66 2wr1 n SER 361 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2wr1 n SER 361 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2wr1 n SER 361 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wr1 n GLY 362 N -0.26 -1.73 3.85 5.00 0.00 -1.26 -5.05 105.19 105.74 2wr1 n GLY 362 Ca 0.00 0.63 -0.38 0.00 0.00 0.00 0.00 46.02 46.28 2wr1 n GLY 362 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wr1 s TYR 363 N 0.00 3.68 -0.20 1.61 2.02 -1.26 -0.65 117.35 122.56 2wr1 s TYR 363 Ca 0.00 0.84 -0.09 0.00 -0.37 0.00 0.00 57.07 57.46 2wr1 s TYR 363 Cb 0.00 -2.18 0.08 0.00 -0.40 0.00 0.00 41.96 39.46 2wr1 s TYR 363 CO 0.00 0.67 0.44 0.00 -1.57 0.00 0.00 175.55 175.09 2wr1 s ALA 364 N -1.08 -1.20 0.48 3.71 0.00 0.61 -4.98 121.76 119.29 2wr1 s ALA 364 Ca 0.22 1.62 -0.23 0.00 0.00 0.00 0.00 51.96 53.57 2wr1 s ALA 364 Cb -0.15 -1.18 -0.07 0.00 0.00 0.00 0.00 23.12 21.72 2wr1 s ALA 364 CO 0.11 -0.52 1.22 0.00 0.00 0.00 0.00 175.76 176.57 2wr1 s ALA 365 N 2.02 2.94 -0.52 0.00 0.00 -1.26 -0.15 121.76 124.80 2wr1 s ALA 365 Ca -0.06 1.06 -0.22 0.00 0.00 0.00 0.00 51.96 52.74 2wr1 s ALA 365 Cb -0.10 -3.44 0.05 0.00 0.00 0.00 0.00 23.12 19.63 2wr1 s ALA 365 CO -0.14 -0.86 0.78 0.34 0.00 0.00 0.00 175.76 175.88 2wr1 s ASP 366 N -1.22 6.30 0.49 0.00 2.15 0.67 -4.83 116.67 120.23 2wr1 s ASP 366 Ca 0.65 -0.56 0.28 0.00 0.43 0.00 0.00 52.55 53.35 2wr1 s ASP 366 Cb -0.32 -2.36 1.20 0.00 -0.30 0.00 0.00 42.92 41.13 2wr1 s ASP 366 CO 0.39 -1.03 1.94 0.11 -0.17 0.00 0.00 175.17 176.41 2wr1 h LYS 367 N 9.12 0.00 0.13 4.34 6.56 -1.93 -1.26 116.57 133.54 2wr1 h LYS 367 Ca -0.26 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.32 2wr1 h LYS 367 Cb 1.08 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.75 2wr1 h LYS 367 CO 1.01 0.14 -0.06 1.49 -2.06 0.00 0.00 179.45 179.97 2wr1 h GLU 368 N 0.00 -0.17 -0.57 3.15 4.81 -1.96 -1.25 114.58 118.58 2wr1 h GLU 368 Ca -0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2wr1 h GLU 368 Cb 0.57 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 2wr1 h GLU 368 CO 0.02 0.28 0.32 0.66 -0.73 0.00 0.00 179.01 179.55 2wr1 h SER 369 N -0.89 0.71 -0.24 1.04 4.64 -1.94 -1.60 113.55 115.27 2wr1 h SER 369 Ca -0.02 -0.09 0.02 0.00 -0.47 0.00 0.00 61.79 61.23 2wr1 h SER 369 Cb 0.53 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 2wr1 h SER 369 CO 0.03 0.59 0.10 0.74 -0.87 0.00 0.00 176.83 177.42 2wr1 h THR 370 N 0.77 0.97 -0.74 2.95 2.02 -1.29 -1.35 112.91 116.23 2wr1 h THR 370 Ca 0.20 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 2wr1 h THR 370 Cb 0.03 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.14 2wr1 h THR 370 CO -0.03 0.04 0.42 -0.61 0.37 0.00 0.00 175.52 175.71 2wr1 h GLN 371 N 0.22 1.01 0.09 6.66 5.75 -1.16 0.63 115.11 128.30 2wr1 h GLN 371 Ca 0.10 -0.10 0.02 0.00 -0.15 0.00 0.00 58.65 58.52 2wr1 h GLN 371 Cb 0.05 -0.21 -0.04 0.00 1.07 0.00 0.00 27.48 28.35 2wr1 h GLN 371 CO -0.09 0.73 -0.28 -0.22 -2.65 0.00 0.00 178.83 176.32 2wr1 h LYS 372 N 1.02 -0.46 -0.43 1.69 3.64 -0.53 -0.93 116.57 120.58 2wr1 h LYS 372 Ca 0.26 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.65 2wr1 h LYS 372 Cb -0.01 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 2wr1 h LYS 372 CO -0.05 -0.31 0.18 0.00 -2.27 0.00 0.00 179.45 177.01 2wr1 h ALA 373 N 0.25 0.55 -0.07 5.00 0.00 -0.89 0.93 119.26 125.04 2wr1 h ALA 373 Ca 0.04 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.86 2wr1 h ALA 373 Cb 0.52 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 2wr1 h ALA 373 CO -0.19 0.14 -0.31 0.27 0.00 0.00 0.00 179.25 179.17 2wr1 h PHE 374 N 0.55 -0.84 -0.32 0.00 -0.00 -0.71 -1.19 116.94 114.43 2wr1 h PHE 374 Ca 0.14 0.03 -0.01 0.00 -0.00 0.00 0.00 57.97 58.14 2wr1 h PHE 374 Cb 0.16 0.38 -0.01 0.00 -0.00 0.00 0.00 35.95 36.48 2wr1 h PHE 374 CO -0.00 -0.39 0.17 -0.44 -0.00 0.00 0.00 178.31 177.65 2wr1 h ASP 375 N -0.42 0.40 -0.00 -0.68 3.32 -0.89 -0.84 116.42 117.31 2wr1 h ASP 375 Ca 0.08 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.05 2wr1 h ASP 375 Cb 0.54 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 2wr1 h ASP 375 CO -0.30 0.37 -0.07 1.23 -1.72 0.00 0.00 179.24 178.75 2wr1 h GLY 376 N 0.39 -0.07 1.37 2.75 0.00 -0.67 -0.22 103.07 106.62 2wr1 h GLY 376 Ca 0.11 0.08 -0.13 0.00 0.00 0.00 0.00 47.33 47.39 2wr1 h GLY 376 CO -0.02 -0.08 -0.34 -2.22 0.00 0.00 0.00 176.54 173.89 2wr1 h ILE 377 N -0.12 1.28 -0.91 2.60 1.08 -1.10 -0.00 117.51 120.35 2wr1 h ILE 377 Ca 0.03 -1.49 0.01 0.00 -0.39 0.00 0.00 64.86 63.02 2wr1 h ILE 377 Cb 0.16 1.40 -0.04 0.00 -3.07 0.00 0.00 36.82 35.27 2wr1 h ILE 377 CO -0.07 0.48 0.59 0.74 -0.69 0.00 0.00 178.15 179.20 2wr1 h THR 378 N 0.59 1.24 -0.66 -0.27 2.02 -1.02 -1.76 112.91 113.05 2wr1 h THR 378 Ca 0.06 -0.44 -0.06 0.00 0.77 0.00 0.00 66.41 66.74 2wr1 h THR 378 Cb 0.86 -0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 2wr1 h THR 378 CO 0.07 0.23 0.16 0.78 0.37 0.00 0.00 175.52 177.14 2wr1 h ASN 379 N 1.23 1.00 0.35 4.18 2.35 -0.38 -0.04 115.58 124.27 2wr1 h ASN 379 Ca 0.33 -0.23 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 2wr1 h ASN 379 Cb -0.13 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 37.98 2wr1 h ASN 379 CO -0.07 0.98 -0.17 0.50 -1.65 0.00 0.00 177.43 177.02 2wr1 h LYS 380 N 0.98 -0.45 -0.21 0.81 3.64 -0.59 0.13 116.57 120.88 2wr1 h LYS 380 Ca 0.21 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.67 2wr1 h LYS 380 Cb 0.36 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.24 2wr1 h LYS 380 CO 0.00 -0.26 -0.09 0.28 -2.27 0.00 0.00 179.45 177.11 2wr1 h VAL 381 N -0.54 0.70 -0.87 2.00 2.07 -1.28 -1.86 116.25 116.46 2wr1 h VAL 381 Ca -0.05 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.55 2wr1 h VAL 381 Cb 0.41 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 2wr1 h VAL 381 CO 0.08 0.00 0.57 0.78 0.02 0.00 0.00 177.57 179.02 2wr1 h ASN 382 N -0.06 0.84 0.05 0.57 -0.26 -0.88 -1.05 115.58 114.79 2wr1 h ASN 382 Ca 0.11 0.01 -0.00 0.00 -0.56 0.00 0.00 56.30 55.86 2wr1 h ASN 382 Cb 0.23 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.32 2wr1 h ASN 382 CO -0.25 0.52 -0.02 0.28 -1.06 0.00 0.00 177.43 176.90 2wr1 h SER 383 N 0.94 -0.06 -0.98 5.81 0.02 0.02 0.44 113.55 119.75 2wr1 h SER 383 Ca 0.39 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2wr1 h SER 383 Cb 0.27 0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.78 2wr1 h SER 383 CO -0.15 0.15 0.61 0.58 -1.14 0.00 0.00 176.83 176.88 2wr1 h VAL 384 N -0.27 1.26 0.06 2.27 2.07 -1.02 -2.48 116.25 118.15 2wr1 h VAL 384 Ca -0.01 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 2wr1 h VAL 384 Cb 0.24 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.87 2wr1 h VAL 384 CO 0.01 0.26 -0.03 0.40 0.02 0.00 0.00 177.57 178.24 2wr1 h ILE 385 N 1.34 0.89 -0.29 4.57 2.04 -1.08 -3.39 117.51 121.59 2wr1 h ILE 385 Ca 0.35 -1.49 -0.08 0.00 1.00 0.00 0.00 64.86 64.64 2wr1 h ILE 385 Cb -0.10 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 2wr1 h ILE 385 CO -0.07 0.28 -0.17 -0.33 0.00 0.00 0.00 178.15 177.86 2wr1 h GLU 386 N -0.96 0.51 0.00 2.37 5.08 -0.17 -3.03 114.58 118.38 2wr1 h GLU 386 Ca -0.01 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2wr1 h GLU 386 Cb 0.52 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2wr1 h GLU 386 CO 0.01 0.66 0.00 1.63 -1.00 0.00 0.00 179.01 180.31 2wr1 n LYS 387 N -4.17 0.19 -2.61 2.33 4.76 -0.93 -4.76 118.16 112.96 2wr1 n LYS 387 Ca 0.00 0.13 -0.42 0.00 -2.87 0.00 0.00 58.31 55.15 2wr1 n LYS 387 Cb 0.35 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.01 2wr1 n LYS 387 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 2wr1 s MET 388 N -2.69 4.45 0.05 1.97 1.75 -1.15 -5.02 119.30 118.66 2wr1 s MET 388 Ca 0.15 1.52 -0.26 0.00 -1.25 0.00 0.00 55.69 55.85 2wr1 s MET 388 Cb 0.12 -3.49 -0.05 0.00 2.84 0.00 0.00 34.83 34.25 2wr1 s MET 388 CO 0.30 -0.25 0.80 1.21 -0.65 0.00 0.00 175.02 176.43 2wr1 s ASN 389 N 1.14 7.25 -0.37 1.11 3.84 -1.26 -5.05 114.94 121.61 2wr1 s ASN 389 Ca 0.53 1.50 0.01 0.00 0.21 0.00 0.00 52.86 55.10 2wr1 s ASN 389 Cb -0.22 -2.49 0.12 0.00 -0.55 0.00 0.00 41.25 38.11 2wr1 s ASN 389 CO 0.24 -0.01 0.15 0.28 -2.79 0.00 0.00 177.10 174.97 2wr1 s THR 390 N 0.04 1.20 0.15 -5.21 -1.32 -1.26 -4.96 115.64 104.27 2wr1 s THR 390 Ca 0.40 -1.96 0.06 0.00 -1.21 0.00 0.00 61.69 58.98 2wr1 s THR 390 Cb -0.21 -1.87 -0.04 0.00 -1.51 0.00 0.00 72.50 68.87 2wr1 s THR 390 CO 0.24 -0.77 0.04 0.00 -2.21 0.00 0.00 174.62 171.93 2wr1 s GLN 391 N 1.02 2.60 0.27 7.08 -2.07 -1.26 -4.84 119.66 122.46 2wr1 s GLN 391 Ca 0.13 -0.96 -0.31 0.00 -1.82 0.00 0.00 55.36 52.41 2wr1 s GLN 391 Cb -0.21 -2.50 -0.12 0.00 -1.09 0.00 0.00 33.01 29.10 2wr1 s GLN 391 CO -0.12 0.49 1.62 0.34 -1.32 0.00 0.00 175.29 176.29 2wr1 n PHE 392 N -0.01 2.78 -3.71 9.60 7.35 -1.26 -4.50 117.46 127.71 2wr1 n PHE 392 Ca -0.09 0.21 -0.14 0.00 -0.76 0.00 0.00 57.45 56.67 2wr1 n PHE 392 Cb 0.54 -2.61 -0.09 0.00 0.35 0.00 0.00 39.48 37.68 2wr1 n PHE 392 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 2wr1 s GLU 393 N -0.05 0.64 -0.34 -4.13 2.02 0.47 -4.96 118.70 112.35 2wr1 s GLU 393 Ca 0.67 0.29 -0.03 0.00 0.02 0.00 0.00 54.97 55.93 2wr1 s GLU 393 Cb -0.51 0.30 0.07 0.00 0.10 0.00 0.00 34.13 34.09 2wr1 s GLU 393 CO 0.44 -0.14 0.08 0.00 0.02 0.00 0.00 175.26 175.66 2wr1 s ALA 394 N -0.50 2.96 -0.07 5.21 0.00 -1.26 -1.43 121.76 126.67 2wr1 s ALA 394 Ca -0.06 -2.03 -0.24 0.00 0.00 0.00 0.00 51.96 49.63 2wr1 s ALA 394 Cb -0.03 -2.14 -0.19 0.00 0.00 0.00 0.00 23.12 20.76 2wr1 s ALA 394 CO 0.03 -1.46 0.92 0.28 0.00 0.00 0.00 175.76 175.53 2wr1 h VAL 395 N 6.40 1.21 -3.10 0.00 2.07 -1.65 -3.45 116.25 117.73 2wr1 h VAL 395 Ca -0.18 -1.45 -0.53 0.00 0.82 0.00 0.00 66.70 65.36 2wr1 h VAL 395 Cb 1.06 2.09 0.05 0.00 -1.52 0.00 0.00 31.29 32.97 2wr1 h VAL 395 CO 0.59 0.33 0.84 -0.83 0.02 0.00 0.00 177.57 178.53 2wr1 s GLY 396 N -3.51 1.92 0.21 2.17 0.00 -1.26 -5.02 107.32 101.84 2wr1 s GLY 396 Ca -0.15 1.38 0.10 0.00 0.00 0.00 0.00 44.72 46.05 2wr1 s GLY 396 CO 0.57 2.49 -0.19 0.54 0.00 0.00 0.00 173.10 176.51 2wr1 s LYS 397 N 0.34 1.44 -0.25 2.90 -0.14 -1.26 -4.52 119.74 118.25 2wr1 s LYS 397 Ca 0.65 -1.57 -0.09 0.00 -1.36 0.00 0.00 55.97 53.60 2wr1 s LYS 397 Cb -0.44 -1.48 -0.04 0.00 -1.68 0.00 0.00 37.83 34.20 2wr1 s LYS 397 CO 0.38 0.28 0.11 -1.21 -0.76 0.00 0.00 175.35 174.16 2wr1 s GLU 398 N -3.20 3.80 -0.01 1.68 0.41 -1.26 -5.09 118.70 115.04 2wr1 s GLU 398 Ca 0.22 -0.40 0.03 0.00 -0.41 0.00 0.00 54.97 54.41 2wr1 s GLU 398 Cb -0.05 -3.43 -0.01 0.00 -1.78 0.00 0.00 34.13 28.87 2wr1 s GLU 398 CO 0.10 -0.12 -0.10 -0.06 -0.49 0.00 0.00 175.26 174.58 2wr1 s PHE 399 N 1.49 0.92 0.98 1.61 0.08 -1.26 -4.94 117.98 116.87 2wr1 s PHE 399 Ca 0.06 -0.19 -0.15 0.00 0.12 0.00 0.00 56.93 56.78 2wr1 s PHE 399 Cb -0.15 -0.61 0.18 0.00 -0.57 0.00 0.00 43.02 41.87 2wr1 s PHE 399 CO 0.06 -0.03 1.18 -1.54 -0.10 0.00 0.00 175.22 174.78 2wr1 s SER 400 N -0.14 2.90 0.00 1.36 1.04 -1.26 -4.91 113.70 112.68 2wr1 s SER 400 Ca 0.02 0.70 0.24 0.00 0.48 0.00 0.00 55.95 57.40 2wr1 s SER 400 Cb -0.05 -1.06 1.16 0.00 0.10 0.00 0.00 66.02 66.17 2wr1 s SER 400 CO -0.00 -2.91 1.79 -0.46 0.98 0.00 0.00 173.24 172.64 2wr1 n ASN 401 N -3.96 0.00 -1.74 7.02 0.23 -1.26 -1.72 115.26 113.84 2wr1 n ASN 401 Ca 0.10 0.12 0.01 0.00 -0.53 0.00 0.00 54.58 54.28 2wr1 n ASN 401 Cb 0.59 -0.35 0.33 0.00 -2.08 0.00 0.00 39.78 38.27 2wr1 n ASN 401 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2wr1 n LEU 402 N -1.35 5.52 -1.70 -4.53 4.77 -1.26 -4.37 117.00 114.08 2wr1 n LEU 402 Ca 0.10 -3.11 -0.01 0.00 -0.03 0.00 0.00 56.01 52.95 2wr1 n LEU 402 Cb 0.22 -0.69 0.07 0.00 -2.33 0.00 0.00 43.42 40.70 2wr1 n LEU 402 CO 0.20 0.74 0.14 -0.62 -1.33 0.00 0.00 177.39 176.51 2wr1 n GLU 403 N 0.02 1.42 -0.14 3.23 1.02 -0.70 -4.84 120.64 120.66 2wr1 n GLU 403 Ca 0.33 -3.05 0.02 0.00 -0.02 0.00 0.00 57.16 54.43 2wr1 n GLU 403 Cb 1.22 -1.17 0.30 0.00 -0.02 0.00 0.00 31.44 31.77 2wr1 n GLU 403 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wr1 h ARG 404 N 1.59 0.83 -0.42 3.49 2.47 -1.76 -0.47 114.38 120.11 2wr1 h ARG 404 Ca -0.05 -0.05 -0.12 0.00 -1.26 0.00 0.00 59.98 58.50 2wr1 h ARG 404 Cb 1.47 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 29.59 2wr1 h ARG 404 CO 0.21 0.56 -0.22 0.00 0.56 0.00 0.00 179.97 181.08 2wr1 h ARG 405 N 0.86 0.84 -0.31 0.04 3.08 -1.95 0.51 114.38 117.45 2wr1 h ARG 405 Ca 0.23 -0.34 -0.09 0.00 0.07 0.00 0.00 59.98 59.85 2wr1 h ARG 405 Cb -0.08 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 2wr1 h ARG 405 CO -0.05 0.98 -0.15 1.25 -1.07 0.00 0.00 179.97 180.93 2wr1 h LEU 406 N 0.73 0.67 -0.71 3.04 5.85 -1.82 -1.23 115.31 121.85 2wr1 h LEU 406 Ca 0.10 -0.41 0.05 0.00 0.84 0.00 0.00 57.88 58.46 2wr1 h LEU 406 Cb 0.75 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 2wr1 h LEU 406 CO 0.06 0.93 0.43 -0.08 -0.34 0.00 0.00 178.44 179.44 2wr1 h GLU 407 N 0.42 0.78 -0.37 1.25 4.81 -0.83 -1.59 114.58 119.05 2wr1 h GLU 407 Ca 0.07 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 2wr1 h GLU 407 Cb 0.68 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 2wr1 h GLU 407 CO 0.05 0.52 0.03 -0.97 -0.73 0.00 0.00 179.01 177.90 2wr1 h ASN 408 N 0.80 0.53 -0.30 1.04 -1.24 -0.68 -1.23 115.58 114.51 2wr1 h ASN 408 Ca 0.30 -0.09 -0.07 0.00 0.71 0.00 0.00 56.30 57.15 2wr1 h ASN 408 Cb 0.11 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.01 2wr1 h ASN 408 CO -0.15 0.58 -0.07 0.25 -1.29 0.00 0.00 177.43 176.75 2wr1 h LEU 409 N 0.55 0.58 -0.36 0.34 5.85 -0.45 0.42 115.31 122.23 2wr1 h LEU 409 Ca 0.12 -0.36 0.07 0.00 0.84 0.00 0.00 57.88 58.55 2wr1 h LEU 409 Cb 0.30 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.11 2wr1 h LEU 409 CO 0.01 0.81 -0.10 -1.13 -0.34 0.00 0.00 178.44 177.68 2wr1 h ASN 410 N 0.34 -0.37 -1.00 1.25 -1.24 -1.06 -0.06 115.58 113.44 2wr1 h ASN 410 Ca 0.08 0.11 0.07 0.00 0.71 0.00 0.00 56.30 57.27 2wr1 h ASN 410 Cb 0.55 0.24 -0.07 0.00 0.73 0.00 0.00 38.32 39.77 2wr1 h ASN 410 CO 0.03 -0.13 0.64 0.50 -1.29 0.00 0.00 177.43 177.18 2wr1 h LYS 411 N -0.02 1.11 -0.16 6.67 3.64 -1.03 -1.26 116.57 125.52 2wr1 h LYS 411 Ca 0.18 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.34 2wr1 h LYS 411 Cb 0.29 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2wr1 h LYS 411 CO -0.38 0.74 -0.51 -0.22 -2.27 0.00 0.00 179.45 176.80 2wr1 h LYS 412 N 1.14 0.45 -0.03 1.90 1.63 -0.25 0.14 116.57 121.56 2wr1 h LYS 412 Ca 0.44 -0.27 -0.01 0.00 -0.85 0.00 0.00 60.65 59.97 2wr1 h LYS 412 Cb 0.21 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.86 2wr1 h LYS 412 CO -0.19 0.85 -0.00 1.98 -3.45 0.00 0.00 179.45 178.64 2wr1 h MET 413 N 0.35 0.05 -0.16 1.90 4.05 -0.57 -1.33 114.93 119.22 2wr1 h MET 413 Ca 0.01 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 2wr1 h MET 413 Cb 1.02 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.81 2wr1 h MET 413 CO 0.09 0.38 0.07 0.93 0.23 0.00 0.00 176.91 178.61 2wr1 h GLU 414 N -0.29 0.24 -0.91 0.39 4.39 -1.02 -1.68 114.58 115.71 2wr1 h GLU 414 Ca 0.01 -0.04 0.10 0.00 0.34 0.00 0.00 59.36 59.76 2wr1 h GLU 414 Cb 0.36 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 28.90 2wr1 h GLU 414 CO 0.00 0.31 0.59 -0.44 -1.16 0.00 0.00 179.01 178.31 2wr1 h ASP 415 N 0.12 0.82 -0.20 1.42 3.32 -0.71 -1.01 116.42 120.18 2wr1 h ASP 415 Ca 0.06 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 2wr1 h ASP 415 Cb 0.15 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 2wr1 h ASP 415 CO -0.01 0.48 -0.13 1.23 -1.72 0.00 0.00 179.24 179.09 2wr1 h GLY 416 N 0.90 0.48 1.56 2.75 0.00 -0.66 -2.10 103.07 106.00 2wr1 h GLY 416 Ca 0.42 -0.45 -0.13 0.00 0.00 0.00 0.00 47.33 47.17 2wr1 h GLY 416 CO -0.19 0.41 -0.45 0.74 0.00 0.00 0.00 176.54 177.06 2wr1 h PHE 417 N 0.13 0.58 -0.39 5.60 0.04 -1.15 -1.45 116.94 120.31 2wr1 h PHE 417 Ca 0.04 -0.18 0.04 0.00 2.80 0.00 0.00 57.97 60.68 2wr1 h PHE 417 Cb 0.64 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.63 2wr1 h PHE 417 CO 0.07 0.85 0.15 1.25 -0.60 0.00 0.00 178.31 180.02 2wr1 h LEU 418 N 0.39 0.17 -0.69 1.54 5.85 -0.95 0.66 115.31 122.29 2wr1 h LEU 418 Ca 0.03 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 2wr1 h LEU 418 Cb 0.94 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 2wr1 h LEU 418 CO 0.08 0.13 0.22 0.44 -0.34 0.00 0.00 178.44 178.97 2wr1 h ASP 419 N 0.31 1.00 0.39 1.25 3.32 -1.20 -1.45 116.42 120.03 2wr1 h ASP 419 Ca 0.18 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 2wr1 h ASP 419 Cb 0.14 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 2wr1 h ASP 419 CO -0.17 0.94 -0.24 0.58 -1.72 0.00 0.00 179.24 178.63 2wr1 h VAL 420 N 1.00 0.50 -0.51 -1.35 2.07 -0.84 -1.68 116.25 115.44 2wr1 h VAL 420 Ca 0.22 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.65 2wr1 h VAL 420 Cb 0.30 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 2wr1 h VAL 420 CO -0.01 0.00 -0.04 -0.50 0.02 0.00 0.00 177.57 177.04 2wr1 h TRP 421 N -0.60 0.97 -0.03 1.57 4.06 -0.84 -1.74 115.95 119.34 2wr1 h TRP 421 Ca -0.04 -0.16 -0.00 0.00 2.06 0.00 0.00 58.89 60.74 2wr1 h TRP 421 Cb 0.49 -0.25 -0.00 0.00 -1.00 0.00 0.00 29.16 28.40 2wr1 h TRP 421 CO -0.09 0.90 0.01 1.15 -3.56 0.00 0.00 178.44 176.85 2wr1 h THR 422 N 0.82 1.17 -0.30 1.49 2.02 -1.27 0.48 112.91 117.32 2wr1 h THR 422 Ca 0.15 -0.50 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 2wr1 h THR 422 Cb 0.54 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 2wr1 h THR 422 CO 0.03 0.13 0.11 0.22 0.37 0.00 0.00 175.52 176.38 2wr1 h TYR 423 N -0.15 0.47 -0.64 3.16 3.20 -1.26 -1.38 116.97 120.37 2wr1 h TYR 423 Ca 0.01 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.77 2wr1 h TYR 423 Cb 0.21 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.32 2wr1 h TYR 423 CO -0.01 0.47 0.13 -0.91 -1.64 0.00 0.00 178.16 176.21 2wr1 h ASN 424 N 0.33 0.99 0.20 -2.11 2.35 -1.33 -1.61 115.58 114.39 2wr1 h ASN 424 Ca 0.10 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 2wr1 h ASN 424 Cb 0.21 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.32 2wr1 h ASN 424 CO -0.01 0.98 -0.13 0.00 -1.65 0.00 0.00 177.43 176.63 2wr1 h ALA 425 N 1.04 -0.30 -0.42 -0.83 0.00 -0.77 -0.42 119.26 117.56 2wr1 h ALA 425 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2wr1 h ALA 425 Cb 0.39 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2wr1 h ALA 425 CO 0.01 -0.68 0.28 0.93 0.00 0.00 0.00 179.25 179.78 2wr1 h GLU 426 N -0.32 0.55 -0.28 0.00 4.39 -1.20 -2.40 114.58 115.33 2wr1 h GLU 426 Ca -0.02 -0.03 -0.16 0.00 0.34 0.00 0.00 59.36 59.49 2wr1 h GLU 426 Cb 0.27 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 2wr1 h GLU 426 CO 0.02 0.36 -0.46 -0.07 -1.16 0.00 0.00 179.01 177.70 2wr1 h LEU 427 N 0.56 0.79 -0.87 1.33 4.07 -1.23 -2.24 115.31 117.72 2wr1 h LEU 427 Ca 0.15 -0.38 0.00 0.00 0.08 0.00 0.00 57.88 57.73 2wr1 h LEU 427 Cb -0.06 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 41.41 2wr1 h LEU 427 CO -0.03 1.13 0.56 0.25 -1.08 0.00 0.00 178.44 179.26 2wr1 h LEU 428 N 0.58 1.01 -0.01 1.67 5.85 -1.01 0.12 115.31 123.52 2wr1 h LEU 428 Ca 0.03 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2wr1 h LEU 428 Cb 1.02 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 2wr1 h LEU 428 CO 0.10 0.75 0.00 0.58 -0.34 0.00 0.00 178.44 179.53 2wr1 h VAL 429 N 1.19 1.20 -0.65 1.05 2.07 -1.26 0.83 116.25 120.67 2wr1 h VAL 429 Ca 0.32 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 67.26 2wr1 h VAL 429 Cb -0.11 1.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 2wr1 h VAL 429 CO -0.07 0.16 0.41 -0.07 0.02 0.00 0.00 177.57 178.03 2wr1 h LEU 430 N -0.22 0.70 -0.14 2.57 3.38 -1.00 -0.69 115.31 119.91 2wr1 h LEU 430 Ca 0.00 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 2wr1 h LEU 430 Cb 0.25 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2wr1 h LEU 430 CO 0.00 0.50 -0.23 0.24 0.09 0.00 0.00 178.44 179.04 2wr1 h MET 431 N 0.83 0.40 -0.41 1.13 2.86 -0.59 -2.57 114.93 116.58 2wr1 h MET 431 Ca 0.25 -0.24 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 2wr1 h MET 431 Cb -0.04 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 2wr1 h MET 431 CO -0.08 0.84 -0.05 0.93 1.06 0.00 0.00 176.91 179.61 2wr1 h GLU 432 N -0.00 0.68 -0.73 1.72 4.39 -0.78 -2.30 114.58 117.57 2wr1 h GLU 432 Ca 0.01 -0.19 -0.06 0.00 0.34 0.00 0.00 59.36 59.46 2wr1 h GLU 432 Cb 0.81 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.35 2wr1 h GLU 432 CO 0.05 0.74 0.24 -0.91 -1.16 0.00 0.00 179.01 177.97 2wr1 h ASN 433 N 0.64 1.04 -0.35 1.42 2.35 -1.05 0.26 115.58 119.89 2wr1 h ASN 433 Ca 0.12 -0.19 0.04 0.00 -0.55 0.00 0.00 56.30 55.72 2wr1 h ASN 433 Cb 0.47 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 2wr1 h ASN 433 CO 0.02 0.96 0.12 -0.08 -1.65 0.00 0.00 177.43 176.81 2wr1 h GLU 434 N 1.08 0.26 -0.52 0.81 4.57 -1.21 -2.05 114.58 117.51 2wr1 h GLU 434 Ca 0.24 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.30 2wr1 h GLU 434 Cb 0.29 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 2wr1 h GLU 434 CO -0.01 0.17 -0.06 0.00 -1.18 0.00 0.00 179.01 177.93 2wr1 h ARG 435 N 0.27 0.94 -0.41 1.92 2.47 -0.94 -2.10 114.38 116.53 2wr1 h ARG 435 Ca 0.16 -0.31 -0.00 0.00 -1.26 0.00 0.00 59.98 58.57 2wr1 h ARG 435 Cb 0.14 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.36 2wr1 h ARG 435 CO -0.17 0.97 0.25 1.15 0.56 0.00 0.00 179.97 182.73 2wr1 h THR 436 N 0.85 1.13 -0.80 2.04 2.02 -0.21 0.16 112.91 118.10 2wr1 h THR 436 Ca 0.14 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 2wr1 h THR 436 Cb 0.59 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 2wr1 h THR 436 CO 0.04 0.13 0.38 -0.07 0.37 0.00 0.00 175.52 176.36 2wr1 h LEU 437 N 0.54 1.05 -1.01 2.58 4.07 -1.25 -1.91 115.31 119.37 2wr1 h LEU 437 Ca 0.15 -0.14 -0.08 0.00 0.08 0.00 0.00 57.88 57.89 2wr1 h LEU 437 Cb -0.01 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.44 2wr1 h LEU 437 CO -0.03 0.89 -0.16 0.44 -1.08 0.00 0.00 178.44 178.50 2wr1 h ASP 438 N 1.13 0.52 -0.00 -0.43 3.32 -1.07 -1.95 116.42 117.94 2wr1 h ASP 438 Ca 0.27 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 2wr1 h ASP 438 Cb 0.12 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 2wr1 h ASP 438 CO -0.03 0.70 0.00 0.15 -1.72 0.00 0.00 179.24 178.34 2wr1 h PHE 439 N 0.49 0.00 -0.77 4.55 3.57 -0.11 -0.13 116.94 124.54 2wr1 h PHE 439 Ca 0.08 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 2wr1 h PHE 439 Cb 0.55 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.26 2wr1 h PHE 439 CO 0.02 0.07 0.43 0.45 -2.23 0.00 0.00 178.31 177.04 2wr1 h HIS 440 N -0.06 1.05 -0.27 0.41 3.86 -1.24 0.27 115.15 119.18 2wr1 h HIS 440 Ca 0.00 -0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.23 2wr1 h HIS 440 Cb 0.06 -0.34 -0.04 0.00 1.06 0.00 0.00 27.41 28.16 2wr1 h HIS 440 CO -0.06 0.73 0.01 0.22 0.86 0.00 0.00 177.93 179.70 2wr1 h ASP 441 N 1.06 -0.09 -0.38 2.45 3.58 -1.14 -1.66 116.42 120.24 2wr1 h ASP 441 Ca 0.27 0.06 0.06 0.00 0.42 0.00 0.00 57.03 57.84 2wr1 h ASP 441 Cb 0.02 0.10 -0.05 0.00 1.72 0.00 0.00 39.33 41.12 2wr1 h ASP 441 CO -0.04 -0.01 0.08 -1.28 -2.88 0.00 0.00 179.24 175.10 2wr1 h SER 442 N 0.09 0.01 -0.76 2.28 0.87 -0.68 -0.81 113.55 114.56 2wr1 h SER 442 Ca 0.13 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.73 2wr1 h SER 442 Cb 0.16 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.17 2wr1 h SER 442 CO -0.21 0.04 0.38 0.78 -0.53 0.00 0.00 176.83 177.30 2wr1 h ASN 443 N 0.20 0.99 -0.08 6.23 2.35 -0.50 0.16 115.58 124.93 2wr1 h ASN 443 Ca 0.18 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2wr1 h ASN 443 Cb 0.21 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 2wr1 h ASN 443 CO -0.24 0.83 0.01 0.58 -1.65 0.00 0.00 177.43 176.96 2wr1 h VAL 444 N 1.09 1.23 -0.47 2.81 2.07 -0.90 -1.37 116.25 120.71 2wr1 h VAL 444 Ca 0.27 -0.70 0.04 0.00 0.82 0.00 0.00 66.70 67.13 2wr1 h VAL 444 Cb 0.09 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 2wr1 h VAL 444 CO -0.04 0.20 0.24 0.50 0.02 0.00 0.00 177.57 178.49 2wr1 h LYS 445 N -0.12 0.45 -0.78 1.57 1.63 -0.87 -0.83 116.57 117.64 2wr1 h LYS 445 Ca 0.02 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2wr1 h LYS 445 Cb 0.30 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.79 2wr1 h LYS 445 CO 0.00 0.30 0.49 -0.91 -3.45 0.00 0.00 179.45 175.88 2wr1 h ASN 446 N 0.47 0.91 -0.25 4.20 2.35 -0.68 -0.96 115.58 121.61 2wr1 h ASN 446 Ca 0.20 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2wr1 h ASN 446 Cb 0.11 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 2wr1 h ASN 446 CO -0.14 0.68 0.16 0.25 -1.65 0.00 0.00 177.43 176.73 2wr1 h LEU 447 N 1.06 0.29 -0.09 1.61 5.85 -0.81 -0.47 115.31 122.76 2wr1 h LEU 447 Ca 0.28 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 59.01 2wr1 h LEU 447 Cb -0.08 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 2wr1 h LEU 447 CO -0.06 0.23 -0.12 0.22 -0.34 0.00 0.00 178.44 178.37 2wr1 h TYR 448 N 0.33 -0.30 -0.07 1.25 3.20 -0.60 -1.95 116.97 118.83 2wr1 h TYR 448 Ca 0.09 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 2wr1 h TYR 448 Cb -0.02 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 2wr1 h TYR 448 CO -0.05 -0.18 -0.05 -0.44 -1.64 0.00 0.00 178.16 175.79 2wr1 h ASP 449 N -0.16 0.09 -0.59 -2.11 3.32 -1.10 0.13 116.42 116.00 2wr1 h ASP 449 Ca 0.07 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.05 2wr1 h ASP 449 Cb 0.26 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 2wr1 h ASP 449 CO -0.19 0.17 0.12 0.50 -1.72 0.00 0.00 179.24 178.13 2wr1 h LYS 450 N 0.10 1.00 -0.03 3.56 3.64 -0.32 -0.08 116.57 124.44 2wr1 h LYS 450 Ca 0.02 -0.24 -0.06 0.00 -1.27 0.00 0.00 60.65 59.11 2wr1 h LYS 450 Cb 0.17 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2wr1 h LYS 450 CO 0.01 0.90 -0.20 0.28 -2.27 0.00 0.00 179.45 178.17 2wr1 h VAL 451 N 0.94 1.49 -0.61 2.00 2.07 -1.00 -3.13 116.25 118.01 2wr1 h VAL 451 Ca 0.20 -1.74 0.08 0.00 0.82 0.00 0.00 66.70 66.06 2wr1 h VAL 451 Cb 0.38 2.53 -0.06 0.00 -1.52 0.00 0.00 31.29 32.62 2wr1 h VAL 451 CO 0.01 0.48 0.27 -0.09 0.02 0.00 0.00 177.57 178.25 2wr1 h ARG 452 N -0.41 0.48 0.00 1.57 2.43 -0.71 -1.67 114.38 116.07 2wr1 h ARG 452 Ca -0.02 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.04 2wr1 h ARG 452 Cb 0.89 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 2wr1 h ARG 452 CO 0.04 0.31 -0.40 0.52 -1.51 0.00 0.00 179.97 178.93 2wr1 h MET 453 N 0.49 0.00 0.05 0.20 2.86 -1.10 -1.39 114.93 116.04 2wr1 h MET 453 Ca 0.30 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.93 2wr1 h MET 453 Cb 0.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 2wr1 h MET 453 CO -0.25 0.40 -0.02 1.96 1.06 0.00 0.00 176.91 180.06 2wr1 h GLN 454 N 0.00 -0.06 0.00 1.72 4.20 -1.46 -3.33 115.11 116.18 2wr1 h GLN 454 Ca -0.00 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 2wr1 h GLN 454 Cb 0.93 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.71 2wr1 h GLN 454 CO 0.05 0.48 -0.35 -0.07 -0.67 0.00 0.00 178.83 178.27 2wr1 h LEU 455 N -0.66 0.00 0.00 1.46 4.07 -1.17 -3.43 115.31 115.58 2wr1 h LEU 455 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 2wr1 h LEU 455 Cb 0.58 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.32 2wr1 h LEU 455 CO 0.01 0.35 0.00 0.54 -1.08 0.00 0.00 178.44 178.26 2wr1 n ARG 456 N -3.56 0.00 -0.43 1.13 1.74 -0.54 -0.53 116.66 114.47 2wr1 n ARG 456 Ca -0.00 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.13 2wr1 n ARG 456 Cb 0.48 0.00 0.24 0.00 -1.02 0.00 0.00 32.46 32.16 2wr1 n ARG 456 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2wr1 n ASP 457 N 1.13 3.40 -0.02 0.55 3.85 -1.26 -3.49 116.55 120.71 2wr1 n ASP 457 Ca 0.00 -2.34 0.14 0.00 -0.71 0.00 0.00 54.79 51.89 2wr1 n ASP 457 Cb 0.00 -0.49 0.67 0.00 -1.35 0.00 0.00 41.12 39.95 2wr1 n ASP 457 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 2wr1 n ASN 458 N 0.62 0.12 -4.10 -1.12 3.02 0.31 -4.83 115.26 109.28 2wr1 n ASN 458 Ca 0.17 -0.07 -0.09 0.00 -0.03 0.00 0.00 54.58 54.57 2wr1 n ASN 458 Cb 0.66 -0.27 -0.10 0.00 -0.61 0.00 0.00 39.78 39.47 2wr1 n ASN 458 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wr1 s VAL 459 N -2.69 0.15 -0.13 2.41 1.01 -1.23 -0.53 120.40 119.39 2wr1 s VAL 459 Ca 0.24 -1.81 -0.05 0.00 0.00 0.00 0.00 61.98 60.37 2wr1 s VAL 459 Cb 0.20 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 2wr1 s VAL 459 CO 0.50 -0.68 0.04 -0.75 0.00 0.00 0.00 175.10 174.20 2wr1 s LYS 460 N -3.98 3.48 -0.43 2.72 2.20 -0.09 -4.89 119.74 118.76 2wr1 s LYS 460 Ca 0.16 -0.36 -0.29 0.00 -0.36 0.00 0.00 55.97 55.12 2wr1 s LYS 460 Cb 0.07 -3.01 0.01 0.00 -1.51 0.00 0.00 37.83 33.40 2wr1 s LYS 460 CO -0.04 0.50 1.35 -1.21 -0.36 0.00 0.00 175.35 175.60 2wr1 s GLU 461 N -0.31 3.61 0.09 4.03 2.02 -1.26 -1.54 118.70 125.34 2wr1 s GLU 461 Ca 0.08 0.85 0.26 0.00 0.02 0.00 0.00 54.97 56.18 2wr1 s GLU 461 Cb -0.12 -4.00 0.75 0.00 0.10 0.00 0.00 34.13 30.86 2wr1 s GLU 461 CO 0.02 -1.53 1.63 -0.11 0.02 0.00 0.00 175.26 175.29 2wr1 n LEU 462 N 8.60 0.50 -0.87 1.80 7.94 -0.66 -4.97 117.00 129.34 2wr1 n LEU 462 Ca 0.15 0.35 0.00 0.00 -1.11 0.00 0.00 56.01 55.41 2wr1 n LEU 462 Cb 0.48 -0.32 0.00 0.00 0.53 0.00 0.00 43.42 44.11 2wr1 n LEU 462 CO 0.71 -0.04 -0.13 0.61 -1.11 0.00 0.00 177.39 177.43 2wr1 n GLY 463 N 1.41 -4.08 0.00 -3.96 0.00 -1.25 -4.91 105.19 92.40 2wr1 n GLY 463 Ca 0.05 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2wr1 n GLY 463 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wr1 n ASN 464 N 0.41 0.00 0.00 1.61 6.94 -1.19 -4.64 115.26 118.40 2wr1 n ASN 464 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2wr1 n ASN 464 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2wr1 n ASN 464 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wr1 n GLY 465 N -0.39 0.66 3.67 4.83 0.00 -1.24 -4.75 105.19 107.97 2wr1 n GLY 465 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2wr1 n GLY 465 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr1 s PHE 467 N -1.29 2.07 -0.27 0.00 0.08 0.71 -1.65 117.98 117.63 2wr1 s PHE 467 Ca 0.25 -0.83 -0.11 0.00 0.12 0.00 0.00 56.93 56.36 2wr1 s PHE 467 Cb -0.12 -1.43 -0.05 0.00 -0.57 0.00 0.00 43.02 40.86 2wr1 s PHE 467 CO 0.17 -0.37 0.18 -2.00 -0.10 0.00 0.00 175.22 173.10 2wr1 s GLU 468 N 0.52 3.98 0.36 0.44 2.12 -0.59 -1.71 118.70 123.83 2wr1 s GLU 468 Ca -0.16 -0.31 -0.27 0.00 0.36 0.00 0.00 54.97 54.59 2wr1 s GLU 468 Cb -0.17 -3.61 -0.09 0.00 0.26 0.00 0.00 34.13 30.51 2wr1 s GLU 468 CO 0.06 -0.10 1.27 -0.06 -0.54 0.00 0.00 175.26 175.88 2wr1 s PHE 469 N 1.54 3.02 -0.75 5.30 0.08 -0.26 -0.91 117.98 126.00 2wr1 s PHE 469 Ca 0.07 1.46 0.09 0.00 0.12 0.00 0.00 56.93 58.67 2wr1 s PHE 469 Cb -0.15 -3.60 0.49 0.00 -0.57 0.00 0.00 43.02 39.18 2wr1 s PHE 469 CO 0.09 -1.75 1.27 0.66 -0.10 0.00 0.00 175.22 175.39 2wr1 n TYR 470 N 0.51 1.18 -3.80 0.36 4.01 0.31 -4.68 117.16 115.05 2wr1 n TYR 470 Ca 0.02 -0.42 -0.09 0.00 -0.16 0.00 0.00 57.90 57.25 2wr1 n TYR 470 Cb 0.43 -0.30 -0.03 0.00 -0.31 0.00 0.00 39.34 39.12 2wr1 n TYR 470 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 2wr1 s HIS 471 N -1.98 -0.07 -0.03 -0.72 -3.43 -1.26 -3.92 115.29 103.87 2wr1 s HIS 471 Ca 0.33 -0.29 -0.30 0.00 -0.80 0.00 0.00 55.06 53.99 2wr1 s HIS 471 Cb 0.24 0.44 -0.04 0.00 -1.43 0.00 0.00 32.58 31.79 2wr1 s HIS 471 CO 0.11 -1.01 1.23 0.15 -2.00 0.00 0.00 174.74 173.23 2wr1 s LYS 472 N -3.90 4.35 -0.41 -0.38 -0.14 -1.26 -4.75 119.74 113.24 2wr1 s LYS 472 Ca 0.11 1.73 0.02 0.00 -1.36 0.00 0.00 55.97 56.48 2wr1 s LYS 472 Cb -0.02 -3.54 0.12 0.00 -1.68 0.00 0.00 37.83 32.71 2wr1 s LYS 472 CO 0.01 -0.45 0.18 0.00 -0.76 0.00 0.00 175.35 174.34 2wr1 s ASP 474 N 0.56 1.72 0.31 0.00 1.47 -1.26 -4.60 116.67 114.87 2wr1 s ASP 474 Ca 0.15 0.60 0.04 0.00 1.18 0.00 0.00 52.55 54.52 2wr1 s ASP 474 Cb -0.23 -0.85 0.66 0.00 -0.34 0.00 0.00 42.92 42.17 2wr1 s ASP 474 CO -0.06 -3.62 1.83 0.44 0.68 0.00 0.00 175.17 174.44 2wr1 h ASP 475 N -2.24 0.83 -0.56 2.11 3.32 -1.99 0.56 116.42 118.45 2wr1 h ASP 475 Ca -0.46 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 56.62 2wr1 h ASP 475 Cb 1.28 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 2wr1 h ASP 475 CO 0.39 0.41 0.22 -0.08 -1.72 0.00 0.00 179.24 178.45 2wr1 h GLU 476 N 0.87 0.84 -0.26 3.56 4.57 -2.00 -1.52 114.58 120.64 2wr1 h GLU 476 Ca 0.50 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.53 2wr1 h GLU 476 Cb 0.64 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 2wr1 h GLU 476 CO -0.28 0.73 0.17 0.00 -1.18 0.00 0.00 179.01 178.45 2wr1 h MET 478 N 0.34 0.72 -0.76 0.00 2.86 -0.63 -1.46 114.93 116.01 2wr1 h MET 478 Ca 0.10 -0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.77 2wr1 h MET 478 Cb -0.01 -0.16 -0.07 0.00 0.06 0.00 0.00 31.60 31.42 2wr1 h MET 478 CO -0.02 0.48 0.42 -0.91 1.06 0.00 0.00 176.91 177.94 2wr1 h ASN 479 N 0.75 0.60 -0.70 1.22 -0.26 -1.14 0.20 115.58 116.24 2wr1 h ASN 479 Ca 0.34 0.04 -0.04 0.00 -0.56 0.00 0.00 56.30 56.08 2wr1 h ASN 479 Cb 0.24 -0.07 -0.03 0.00 -1.06 0.00 0.00 38.32 37.39 2wr1 h ASN 479 CO -0.20 0.36 0.30 0.77 -1.06 0.00 0.00 177.43 177.60 2wr1 h SER 480 N 0.73 0.96 0.39 5.81 4.64 -1.09 0.17 113.55 125.16 2wr1 h SER 480 Ca 0.36 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.53 2wr1 h SER 480 Cb 0.30 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2wr1 h SER 480 CO -0.23 0.85 -0.19 0.58 -0.87 0.00 0.00 176.83 176.97 2wr1 h VAL 481 N 1.04 0.62 -0.48 0.95 2.07 -0.70 0.19 116.25 119.94 2wr1 h VAL 481 Ca 0.24 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.75 2wr1 h VAL 481 Cb 0.17 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2wr1 h VAL 481 CO -0.02 0.01 0.32 0.11 0.02 0.00 0.00 177.57 178.00 2wr1 h LYS 482 N -0.54 0.59 -0.26 1.57 1.57 0.03 -2.64 116.57 116.89 2wr1 h LYS 482 Ca -0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2wr1 h LYS 482 Cb 0.41 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2wr1 h LYS 482 CO 0.09 0.39 0.00 0.27 -0.57 0.00 0.00 179.45 179.63 2wr1 n ASN 483 N -4.47 3.01 0.00 0.86 0.23 0.53 -4.98 115.26 110.44 2wr1 n ASN 483 Ca 0.04 -1.88 0.00 0.00 -0.53 0.00 0.00 54.58 52.21 2wr1 n ASN 483 Cb 0.08 -0.17 0.00 0.00 -2.08 0.00 0.00 39.78 37.61 2wr1 n ASN 483 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wr1 n GLY 484 N 1.14 0.88 0.69 4.83 0.00 0.24 -4.95 105.19 108.02 2wr1 n GLY 484 Ca 0.15 -0.56 0.06 0.00 0.00 0.00 0.00 46.02 45.67 2wr1 n GLY 484 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wr1 n THR 485 N -2.65 1.87 -1.86 2.61 -2.24 0.43 -5.03 114.28 107.42 2wr1 n THR 485 Ca 0.00 -2.85 -0.40 0.00 -2.27 0.00 0.00 64.05 58.53 2wr1 n THR 485 Cb 0.16 -0.07 0.01 0.00 -2.10 0.00 0.00 70.33 68.33 2wr1 n THR 485 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2wr1 s TYR 486 N -2.75 2.57 -0.76 4.78 5.04 -1.07 -4.88 117.35 120.29 2wr1 s TYR 486 Ca 0.37 1.27 -0.15 0.00 -2.44 0.00 0.00 57.07 56.12 2wr1 s TYR 486 Cb 0.36 -3.89 0.20 0.00 0.35 0.00 0.00 41.96 38.98 2wr1 s TYR 486 CO -0.08 -2.76 0.71 0.34 -1.34 0.00 0.00 175.55 172.42 2wr1 s ASP 487 N -0.46 6.63 0.09 4.32 -1.08 -1.26 -4.94 116.67 119.98 2wr1 s ASP 487 Ca 0.58 -2.47 -0.33 0.00 -0.52 0.00 0.00 52.55 49.81 2wr1 s ASP 487 Cb -0.43 -2.21 -0.14 0.00 -1.46 0.00 0.00 42.92 38.68 2wr1 s ASP 487 CO 0.57 -0.65 1.59 0.22 0.52 0.00 0.00 175.17 177.42 2wr1 h TYR 488 N 8.05 -1.13 -0.81 -5.34 3.20 -1.92 -3.04 116.97 115.98 2wr1 h TYR 488 Ca 0.01 0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.04 2wr1 h TYR 488 Cb 1.05 0.44 -0.06 0.00 1.54 0.00 0.00 36.73 39.71 2wr1 h TYR 488 CO 0.97 -0.56 0.53 -1.35 -1.64 0.00 0.00 178.16 176.11 2wr1 h PRO 489 N -0.81 0.52 0.00 1.82 0.11 -1.97 -0.63 132.00 131.03 2wr1 h PRO 489 Ca -0.03 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2wr1 h PRO 489 Cb 0.74 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.73 2wr1 h PRO 489 CO -0.09 0.34 0.15 -0.22 -0.21 0.00 0.00 178.00 177.97 2wr1 h LYS 490 N 0.53 0.00 -2.29 1.05 3.64 -1.95 -3.33 116.57 114.22 2wr1 h LYS 490 Ca 0.40 0.00 -0.63 0.00 -1.27 0.00 0.00 60.65 59.15 2wr1 h LYS 490 Cb 0.79 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.21 2wr1 h LYS 490 CO -0.15 0.00 -0.37 0.66 -2.27 0.00 0.00 179.45 177.32 2wr1 n TYR 491 N -2.98 3.75 0.80 1.91 4.01 -0.24 -4.80 117.16 119.61 2wr1 n TYR 491 Ca -0.03 -3.80 0.10 0.00 -0.16 0.00 0.00 57.90 54.01 2wr1 n TYR 491 Cb 0.21 -0.62 0.29 0.00 -0.31 0.00 0.00 39.34 38.90 2wr1 n TYR 491 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2wr1 n GLU 492 N 0.09 2.04 -1.68 -0.72 4.71 -1.25 -4.33 120.64 119.49 2wr1 n GLU 492 Ca 0.32 -1.58 -0.53 0.00 -0.01 0.00 0.00 57.16 55.37 2wr1 n GLU 492 Cb 0.38 -1.42 -0.06 0.00 -1.01 0.00 0.00 31.44 29.33 2wr1 n GLU 492 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 2wr1 n GLU 493 N 0.80 1.63 0.00 3.49 2.13 -1.26 -3.41 120.64 124.01 2wr1 n GLU 493 Ca 0.17 0.59 0.00 0.00 0.66 0.00 0.00 57.16 58.58 2wr1 n GLU 493 Cb 0.43 -2.34 0.00 0.00 0.27 0.00 0.00 31.44 29.79 2wr1 n GLU 493 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2wr1 n GLU 494 N 5.41 0.00 0.00 5.31 4.07 -1.25 -4.77 120.64 129.40 2wr1 n GLU 494 Ca 0.23 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 57.35 2wr1 n GLU 494 Cb 0.21 0.00 0.06 0.00 -0.06 0.00 0.00 31.44 31.65 2wr1 n GLU 494 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 2wr1 n SER 495 N 0.00 0.00 -0.24 4.31 3.41 -1.22 0.09 113.62 119.97 2wr1 n SER 495 Ca 0.00 0.29 0.21 0.00 -0.26 0.00 0.00 58.87 59.11 2wr1 n SER 495 Cb 0.00 -0.32 0.54 0.00 -0.26 0.00 0.00 64.21 64.17 2wr1 n SER 495 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2wr1 h LYS 496 N 0.00 0.34 -0.53 4.33 1.57 -1.89 -2.91 116.57 117.48 2wr1 h LYS 496 Ca 0.00 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 2wr1 h LYS 496 Cb 0.03 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2wr1 h LYS 496 CO 0.00 0.23 -0.00 0.00 -0.57 0.00 0.00 179.45 179.10 2wr1 h ALA 497 N 1.60 0.71 -0.03 3.86 0.00 -0.65 -3.52 119.26 121.24 2wr1 h ALA 497 Ca 0.48 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2wr1 h ALA 497 Cb 1.29 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2wr1 h ALA 497 CO -0.17 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.61