#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wr3 s ILE 7 N 0.00 1.66 -0.00 1.69 2.07 -0.54 0.16 121.20 126.24 2wr3 s ILE 7 Ca 0.00 -1.00 0.02 0.00 -1.41 0.00 0.00 60.65 58.25 2wr3 s ILE 7 Cb 0.00 -1.40 -0.01 0.00 0.13 0.00 0.00 42.46 41.18 2wr3 s ILE 7 CO 0.00 0.37 -0.06 0.00 -1.91 0.00 0.00 174.94 173.34 2wr3 s ILE 9 N -0.21 5.04 0.36 0.00 -1.09 0.20 0.60 121.20 126.10 2wr3 s ILE 9 Ca 0.01 0.05 -0.08 0.00 -2.23 0.00 0.00 60.65 58.41 2wr3 s ILE 9 Cb -0.03 -3.26 0.02 0.00 -1.58 0.00 0.00 42.46 37.61 2wr3 s ILE 9 CO -0.00 0.48 0.61 -0.83 -1.23 0.00 0.00 174.94 173.97 2wr3 s GLY 10 N 0.13 1.05 0.16 6.18 0.00 -0.90 -4.66 107.32 109.27 2wr3 s GLY 10 Ca 0.07 -1.21 0.06 0.00 0.00 0.00 0.00 44.72 43.63 2wr3 s GLY 10 CO -0.00 -0.72 -0.12 -2.52 0.00 0.00 0.00 173.10 169.74 2wr3 s TYR 11 N -2.73 1.43 0.50 1.90 1.13 -1.26 -2.11 117.35 116.20 2wr3 s TYR 11 Ca 0.24 -0.66 -0.22 0.00 -1.41 0.00 0.00 57.07 55.02 2wr3 s TYR 11 Cb -0.02 -0.71 -0.06 0.00 -1.10 0.00 0.00 41.96 40.07 2wr3 s TYR 11 CO 0.17 0.18 1.27 -1.58 -2.51 0.00 0.00 175.55 173.07 2wr3 s HIS 12 N -2.94 2.58 -0.01 -3.49 5.65 0.18 -0.44 115.29 116.83 2wr3 s HIS 12 Ca 0.16 1.45 -0.06 0.00 0.25 0.00 0.00 55.06 56.87 2wr3 s HIS 12 Cb -0.00 -3.60 0.00 0.00 -1.18 0.00 0.00 32.58 27.80 2wr3 s HIS 12 CO 0.03 -2.22 0.11 0.00 -0.65 0.00 0.00 174.74 172.01 2wr3 s ALA 13 N -1.42 -0.26 0.00 1.58 0.00 -0.82 -4.55 121.76 116.29 2wr3 s ALA 13 Ca 0.67 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.54 2wr3 s ALA 13 Cb -0.35 0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.82 2wr3 s ALA 13 CO 0.42 -0.17 0.00 0.27 0.00 0.00 0.00 175.76 176.27 2wr3 n ASN 14 N 1.79 0.06 -1.85 0.00 0.23 -1.26 -3.85 115.26 110.38 2wr3 n ASN 14 Ca -0.21 0.00 -0.06 0.00 -0.53 0.00 0.00 54.58 53.78 2wr3 n ASN 14 Cb 0.56 0.00 0.28 0.00 -2.08 0.00 0.00 39.78 38.54 2wr3 n ASN 14 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2wr3 n ASN 15 N 0.00 4.43 -4.75 0.53 0.23 -1.26 -4.84 115.26 109.60 2wr3 n ASN 15 Ca 0.00 -3.30 -0.37 0.00 -0.53 0.00 0.00 54.58 50.38 2wr3 n ASN 15 Cb 0.00 -0.73 0.04 0.00 -2.08 0.00 0.00 39.78 37.01 2wr3 n ASN 15 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2wr3 s SER 16 N -1.29 5.12 0.00 0.53 0.15 -1.26 -4.93 113.70 112.01 2wr3 s SER 16 Ca 0.53 2.59 0.00 0.00 0.70 0.00 0.00 55.95 59.78 2wr3 s SER 16 Cb 0.43 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 2wr3 s SER 16 CO 0.12 -1.66 0.87 0.35 1.20 0.00 0.00 173.24 174.12 2wr3 n THR 17 N -1.39 0.76 -1.67 6.45 -2.24 -1.26 -4.88 114.28 110.04 2wr3 n THR 17 Ca 0.13 -0.84 -0.51 0.00 -2.27 0.00 0.00 64.05 60.56 2wr3 n THR 17 Cb 0.47 0.63 -0.05 0.00 -2.10 0.00 0.00 70.33 69.28 2wr3 n THR 17 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2wr3 n GLU 18 N -0.38 1.76 -4.61 -0.78 4.07 -1.26 -4.89 120.64 114.55 2wr3 n GLU 18 Ca 0.00 0.64 -0.34 0.00 -0.06 0.00 0.00 57.16 57.41 2wr3 n GLU 18 Cb 0.23 -2.40 -0.12 0.00 -0.06 0.00 0.00 31.44 29.09 2wr3 n GLU 18 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2wr3 s LYS 19 N 2.77 3.12 0.29 5.31 -0.14 -1.26 -1.55 119.74 128.28 2wr3 s LYS 19 Ca 0.90 -0.57 0.08 0.00 -1.36 0.00 0.00 55.97 55.01 2wr3 s LYS 19 Cb -0.82 -2.68 -0.06 0.00 -1.68 0.00 0.00 37.83 32.59 2wr3 s LYS 19 CO 0.52 0.46 -0.08 0.14 -0.76 0.00 0.00 175.35 175.62 2wr3 s VAL 20 N -0.26 1.83 0.06 3.17 -7.23 -0.15 -4.90 120.40 112.92 2wr3 s VAL 20 Ca 0.03 -2.17 0.06 0.00 -1.81 0.00 0.00 61.98 58.10 2wr3 s VAL 20 Cb -0.13 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 2wr3 s VAL 20 CO 0.03 -0.31 -0.13 -1.81 -0.31 0.00 0.00 175.10 172.57 2wr3 s ASP 21 N -3.47 4.20 0.44 4.85 1.01 -1.26 -0.20 116.67 122.24 2wr3 s ASP 21 Ca 0.30 -0.37 0.04 0.00 0.71 0.00 0.00 52.55 53.23 2wr3 s ASP 21 Cb 0.03 -0.79 -0.04 0.00 1.01 0.00 0.00 42.92 43.13 2wr3 s ASP 21 CO 0.13 0.22 0.03 0.42 0.21 0.00 0.00 175.17 176.18 2wr3 s THR 22 N -1.07 1.31 0.34 -1.27 -4.23 0.46 -4.58 115.64 106.60 2wr3 s THR 22 Ca 0.18 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.76 2wr3 s THR 22 Cb -0.11 -2.51 0.32 0.00 1.34 0.00 0.00 72.50 71.54 2wr3 s THR 22 CO 0.09 0.00 1.86 0.40 -0.54 0.00 0.00 174.62 176.43 2wr3 h ILE 23 N 1.64 0.84 0.09 2.99 1.08 -1.85 -3.23 117.51 119.06 2wr3 h ILE 23 Ca -0.42 -0.26 -0.35 0.00 -0.39 0.00 0.00 64.86 63.44 2wr3 h ILE 23 Cb 1.28 0.02 -0.03 0.00 -3.07 0.00 0.00 36.82 35.02 2wr3 h ILE 23 CO 0.73 0.14 -2.01 0.18 -0.69 0.00 0.00 178.15 176.50 2wr3 n LEU 24 N -4.58 2.26 -4.11 1.44 4.77 -1.26 -4.96 117.00 110.55 2wr3 n LEU 24 Ca 0.18 0.21 -0.20 0.00 -0.03 0.00 0.00 56.01 56.16 2wr3 n LEU 24 Cb 0.46 -0.80 -0.14 0.00 -2.33 0.00 0.00 43.42 40.61 2wr3 n LEU 24 CO 0.28 0.77 -0.46 -1.61 -1.33 0.00 0.00 177.39 175.04 2wr3 s GLU 25 N -2.56 0.96 0.26 3.23 2.02 -1.22 -5.14 118.70 116.24 2wr3 s GLU 25 Ca -0.20 -0.60 -0.06 0.00 0.02 0.00 0.00 54.97 54.13 2wr3 s GLU 25 Cb 0.07 -0.94 -0.06 0.00 0.10 0.00 0.00 34.13 33.30 2wr3 s GLU 25 CO 0.76 0.24 0.53 1.03 0.02 0.00 0.00 175.26 177.85 2wr3 s ARG 26 N -0.72 3.67 -0.93 1.61 1.81 -1.26 -0.40 118.95 122.73 2wr3 s ARG 26 Ca 0.03 0.06 -0.02 0.00 -1.72 0.00 0.00 55.73 54.09 2wr3 s ARG 26 Cb -0.06 -2.67 0.00 0.00 -0.45 0.00 0.00 34.95 31.77 2wr3 s ARG 26 CO 0.00 0.27 0.78 -1.71 -0.68 0.00 0.00 175.30 173.97 2wr3 n ASN 27 N -0.62 -2.82 -4.72 0.23 5.15 -1.14 -4.95 115.26 106.40 2wr3 n ASN 27 Ca -0.01 -0.45 -0.38 0.00 -0.60 0.00 0.00 54.58 53.14 2wr3 n ASN 27 Cb 0.53 -3.96 -0.06 0.00 -0.53 0.00 0.00 39.78 35.76 2wr3 n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2wr3 s VAL 28 N -3.26 5.20 0.05 3.44 1.01 0.72 -4.85 120.40 122.70 2wr3 s VAL 28 Ca 0.11 0.90 -0.28 0.00 0.00 0.00 0.00 61.98 62.70 2wr3 s VAL 28 Cb -0.05 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 2wr3 s VAL 28 CO 0.55 0.32 0.89 -0.89 0.00 0.00 0.00 175.10 175.97 2wr3 s THR 29 N 0.70 4.69 0.10 3.92 2.01 -1.26 -0.98 115.64 124.83 2wr3 s THR 29 Ca 0.24 1.90 0.05 0.00 0.31 0.00 0.00 61.69 64.20 2wr3 s THR 29 Cb -0.15 -4.25 -0.03 0.00 0.01 0.00 0.00 72.50 68.08 2wr3 s THR 29 CO 0.09 0.29 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.49 2wr3 s VAL 30 N 0.29 1.20 0.07 3.82 1.01 -0.59 -1.32 120.40 124.88 2wr3 s VAL 30 Ca 0.45 -1.58 -0.21 0.00 0.00 0.00 0.00 61.98 60.64 2wr3 s VAL 30 Cb -0.22 -1.37 -0.12 0.00 0.00 0.00 0.00 36.38 34.68 2wr3 s VAL 30 CO 0.27 -0.38 1.52 0.74 0.00 0.00 0.00 175.10 177.24 2wr3 h THR 31 N 3.75 1.23 -3.88 3.92 2.02 -0.98 -3.39 112.91 115.58 2wr3 h THR 31 Ca -0.40 -0.76 -0.11 0.00 0.77 0.00 0.00 66.41 65.92 2wr3 h THR 31 Cb 1.19 1.42 -0.16 0.00 -1.74 0.00 0.00 68.15 68.87 2wr3 h THR 31 CO 0.48 0.23 -0.50 -1.00 0.37 0.00 0.00 175.52 175.10 2wr3 s HIS 32 N -5.10 0.24 0.22 3.16 3.76 -1.26 -4.72 115.29 111.59 2wr3 s HIS 32 Ca -0.14 -0.64 -0.19 0.00 -0.15 0.00 0.00 55.06 53.94 2wr3 s HIS 32 Cb 0.06 -0.16 0.03 0.00 1.11 0.00 0.00 32.58 33.62 2wr3 s HIS 32 CO 0.71 -0.43 0.59 0.00 -0.85 0.00 0.00 174.74 174.76 2wr3 s ALA 33 N -3.31 -1.05 -0.06 -1.40 0.00 -1.26 -1.84 121.76 112.84 2wr3 s ALA 33 Ca 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 51.96 51.74 2wr3 s ALA 33 Cb 0.03 0.88 0.03 0.00 0.00 0.00 0.00 23.12 24.06 2wr3 s ALA 33 CO -0.08 -0.88 0.01 0.21 0.00 0.00 0.00 175.76 175.03 2wr3 s LYS 34 N -3.88 0.45 -0.01 0.00 2.20 0.47 -4.88 119.74 114.08 2wr3 s LYS 34 Ca 0.10 0.17 -0.30 0.00 -0.36 0.00 0.00 55.97 55.58 2wr3 s LYS 34 Cb -0.02 -0.86 -0.04 0.00 -1.51 0.00 0.00 37.83 35.40 2wr3 s LYS 34 CO -0.00 -0.30 1.15 0.34 -0.36 0.00 0.00 175.35 176.17 2wr3 s ASP 35 N 1.99 7.13 -0.27 1.43 2.15 -1.26 0.13 116.67 127.97 2wr3 s ASP 35 Ca 0.05 1.83 0.12 0.00 0.43 0.00 0.00 52.55 54.98 2wr3 s ASP 35 Cb -0.12 -2.57 0.65 0.00 -0.30 0.00 0.00 42.92 40.58 2wr3 s ASP 35 CO -0.05 -0.48 1.64 2.30 -0.17 0.00 0.00 175.17 178.41 2wr3 n ILE 36 N 4.27 2.68 -4.08 4.11 -5.35 0.68 -4.91 119.36 116.75 2wr3 n ILE 36 Ca 0.09 -1.88 -0.32 0.00 -0.27 0.00 0.00 62.75 60.37 2wr3 n ILE 36 Cb 0.47 -0.32 -0.15 0.00 -1.74 0.00 0.00 39.64 37.90 2wr3 n ILE 36 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2wr3 s LEU 37 N -2.98 3.13 0.08 7.28 2.96 -1.26 -3.61 118.68 124.28 2wr3 s LEU 37 Ca 0.50 -1.21 -0.31 0.00 -0.22 0.00 0.00 54.13 52.89 2wr3 s LEU 37 Cb 0.40 -1.54 -0.06 0.00 0.50 0.00 0.00 46.19 45.50 2wr3 s LEU 37 CO 0.10 -0.14 1.23 -0.70 -1.32 0.00 0.00 176.35 175.52 2wr3 s GLU 38 N 1.15 4.41 0.00 1.98 2.56 0.12 -4.89 118.70 124.03 2wr3 s GLU 38 Ca -0.05 1.83 0.00 0.00 0.00 0.00 0.00 54.97 56.75 2wr3 s GLU 38 Cb -0.18 -3.32 0.00 0.00 2.00 0.00 0.00 34.13 32.63 2wr3 s GLU 38 CO -0.07 -0.28 0.14 1.63 -0.56 0.00 0.00 175.26 176.12 2wr3 n LYS 39 N 3.85 2.09 -4.33 4.30 5.02 -1.26 -2.40 118.16 125.44 2wr3 n LYS 39 Ca 0.09 -0.14 -0.25 0.00 -2.02 0.00 0.00 58.31 55.99 2wr3 n LYS 39 Cb 0.45 -0.53 -0.13 0.00 -0.02 0.00 0.00 35.03 34.80 2wr3 n LYS 39 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wr3 s THR 40 N -0.34 1.86 0.23 -0.18 -4.23 -1.26 -4.89 115.64 106.83 2wr3 s THR 40 Ca 0.00 -1.59 0.04 0.00 -1.18 0.00 0.00 61.69 58.96 2wr3 s THR 40 Cb 0.00 -1.68 -0.05 0.00 1.34 0.00 0.00 72.50 72.11 2wr3 s THR 40 CO 0.00 -0.01 -0.02 -1.38 -0.54 0.00 0.00 174.62 172.67 2wr3 s HIS 41 N -1.12 1.57 -2.14 3.99 -3.43 -1.26 -4.75 115.29 108.16 2wr3 s HIS 41 Ca 0.08 -0.88 0.24 0.00 -0.80 0.00 0.00 55.06 53.71 2wr3 s HIS 41 Cb -0.10 -0.90 1.24 0.00 -1.43 0.00 0.00 32.58 31.40 2wr3 s HIS 41 CO 0.05 0.01 1.83 0.27 -2.00 0.00 0.00 174.74 174.89 2wr3 n ASN 42 N -0.41 0.58 0.00 7.38 6.94 -0.53 -4.91 115.26 124.31 2wr3 n ASN 42 Ca -0.06 -1.38 0.00 0.00 -0.02 0.00 0.00 54.58 53.13 2wr3 n ASN 42 Cb 0.63 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 38.03 2wr3 n ASN 42 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wr3 n GLY 43 N 0.98 0.00 3.94 4.83 0.00 -1.26 -4.82 105.19 108.86 2wr3 n GLY 43 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 2wr3 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wr3 s LYS 44 N -0.94 3.33 -0.24 1.61 1.02 -1.26 -4.66 119.74 118.60 2wr3 s LYS 44 Ca 0.00 -0.34 -0.10 0.00 0.02 0.00 0.00 55.97 55.55 2wr3 s LYS 44 Cb 0.00 -2.60 -0.05 0.00 -0.52 0.00 0.00 37.83 34.67 2wr3 s LYS 44 CO 0.00 -0.04 0.14 -1.17 -0.92 0.00 0.00 175.35 173.36 2wr3 s LEU 45 N -4.45 4.02 0.31 3.17 1.98 -1.26 -2.83 118.68 119.62 2wr3 s LEU 45 Ca 0.44 0.07 0.10 0.00 -2.89 0.00 0.00 54.13 51.85 2wr3 s LEU 45 Cb -0.10 -2.08 -0.06 0.00 0.66 0.00 0.00 46.19 44.62 2wr3 s LEU 45 CO 0.38 0.06 -0.13 0.00 -1.89 0.00 0.00 176.35 174.76 2wr3 s ARG 47 N -3.59 4.55 -0.37 0.00 3.52 -1.24 -4.64 118.95 117.19 2wr3 s ARG 47 Ca 0.31 1.75 -0.12 0.00 -0.13 0.00 0.00 55.73 57.54 2wr3 s ARG 47 Cb -0.00 -3.28 0.01 0.00 -1.56 0.00 0.00 34.95 30.12 2wr3 s ARG 47 CO 0.15 0.00 0.22 -1.17 -0.81 0.00 0.00 175.30 173.69 2wr3 s LEU 48 N -0.17 4.66 -1.46 -0.88 2.96 -0.03 -2.12 118.68 121.64 2wr3 s LEU 48 Ca 0.51 -0.81 -0.02 0.00 -0.22 0.00 0.00 54.13 53.59 2wr3 s LEU 48 Cb -0.30 -2.06 0.02 0.00 0.50 0.00 0.00 46.19 44.34 2wr3 s LEU 48 CO 0.35 -0.34 0.37 -1.20 -1.32 0.00 0.00 176.35 174.20 2wr3 n SER 49 N 5.04 -0.34 0.00 3.68 7.64 -0.35 -1.63 113.62 127.67 2wr3 n SER 49 Ca -0.12 -1.06 0.00 0.00 1.01 0.00 0.00 58.87 58.70 2wr3 n SER 49 Cb 0.47 -2.75 0.00 0.00 -1.01 0.00 0.00 64.21 60.92 2wr3 n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wr3 n GLY 50 N -2.04 2.91 3.38 0.23 0.00 -1.26 -5.01 105.19 103.39 2wr3 n GLY 50 Ca -0.28 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 2wr3 n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wr3 s ILE 51 N -2.25 3.62 0.95 -0.61 1.01 -0.64 -5.06 121.20 118.22 2wr3 s ILE 51 Ca 0.00 -0.42 -0.11 0.00 0.00 0.00 0.00 60.65 60.11 2wr3 s ILE 51 Cb 0.00 -2.63 0.16 0.00 0.01 0.00 0.00 42.46 40.00 2wr3 s ILE 51 CO 0.00 0.43 1.09 -2.84 0.00 0.00 0.00 174.94 173.62 2wr3 s PRO 52 N 1.17 0.77 0.50 2.79 0.02 -1.26 -0.85 135.00 138.13 2wr3 s PRO 52 Ca 0.02 0.98 -0.07 0.00 0.02 0.00 0.00 61.00 61.95 2wr3 s PRO 52 Cb -0.14 -1.74 -0.04 0.00 0.02 0.00 0.00 34.50 32.59 2wr3 s PRO 52 CO -0.00 -2.62 0.84 -1.25 -0.33 0.00 0.00 177.00 173.63 2wr3 s PRO 53 N -4.78 3.58 -0.23 5.54 0.05 -1.26 -0.97 135.00 136.94 2wr3 s PRO 53 Ca 0.65 0.35 -0.29 0.00 0.05 0.00 0.00 61.00 61.76 2wr3 s PRO 53 Cb -0.20 -2.32 0.01 0.00 0.05 0.00 0.00 34.50 32.04 2wr3 s PRO 53 CO 0.59 -0.26 1.08 -1.17 0.05 0.00 0.00 177.00 177.28 2wr3 s LEU 54 N -4.73 4.10 -0.27 -3.56 2.96 0.10 -4.86 118.68 112.41 2wr3 s LEU 54 Ca 0.49 1.41 -0.11 0.00 -0.22 0.00 0.00 54.13 55.70 2wr3 s LEU 54 Cb -0.10 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.00 2wr3 s LEU 54 CO 0.45 -0.70 0.19 -1.61 -1.32 0.00 0.00 176.35 173.37 2wr3 s GLU 55 N 3.28 3.97 0.00 1.98 2.02 -1.26 -1.30 118.70 127.39 2wr3 s GLU 55 Ca 0.46 -0.30 0.27 0.00 0.02 0.00 0.00 54.97 55.42 2wr3 s GLU 55 Cb -0.16 -3.64 0.83 0.00 0.10 0.00 0.00 34.13 31.25 2wr3 s GLU 55 CO 0.08 -0.15 1.62 1.28 0.02 0.00 0.00 175.26 178.10 2wr3 n LEU 56 N 4.98 1.89 0.00 1.80 4.77 -0.68 -4.93 117.00 124.82 2wr3 n LEU 56 Ca -0.14 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 2wr3 n LEU 56 Cb 0.52 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2wr3 n LEU 56 CO 0.33 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 2wr3 n GLY 57 N 1.22 4.33 2.47 -0.72 0.00 -1.26 -0.86 105.19 110.36 2wr3 n GLY 57 Ca 0.18 0.13 -0.20 0.00 0.00 0.00 0.00 46.02 46.13 2wr3 n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wr3 n ASP 58 N 8.94 3.69 -4.95 1.61 5.75 -1.26 -4.39 116.55 125.95 2wr3 n ASP 58 Ca 0.00 -3.33 -0.23 0.00 -0.01 0.00 0.00 54.79 51.22 2wr3 n ASP 58 Cb 0.00 -0.45 -0.00 0.00 -1.03 0.00 0.00 41.12 39.63 2wr3 n ASP 58 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wr3 s SER 60 N -4.12 6.33 0.24 0.00 1.04 -0.84 -4.75 113.70 111.59 2wr3 s SER 60 Ca 0.44 0.32 -0.07 0.00 0.48 0.00 0.00 55.95 57.11 2wr3 s SER 60 Cb -0.10 -1.97 0.41 0.00 0.10 0.00 0.00 66.02 64.46 2wr3 s SER 60 CO 0.36 -0.15 1.66 0.40 0.98 0.00 0.00 173.24 176.48 2wr3 h ILE 61 N 1.10 0.42 -0.12 -1.02 2.04 -1.97 0.05 117.51 118.02 2wr3 h ILE 61 Ca -0.50 -0.05 0.04 0.00 1.00 0.00 0.00 64.86 65.35 2wr3 h ILE 61 Cb 1.21 0.26 -0.06 0.00 -0.74 0.00 0.00 36.82 37.49 2wr3 h ILE 61 CO 0.63 0.03 -0.36 0.00 0.00 0.00 0.00 178.15 178.44 2wr3 h ALA 62 N 1.64 -0.47 -0.69 1.87 0.00 -1.94 0.41 119.26 120.08 2wr3 h ALA 62 Ca 0.39 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.37 2wr3 h ALA 62 Cb 0.68 0.68 -0.06 0.00 0.00 0.00 0.00 17.79 19.09 2wr3 h ALA 62 CO -0.59 -0.85 0.38 0.78 0.00 0.00 0.00 179.25 178.97 2wr3 h GLY 63 N -0.45 1.02 0.96 0.00 0.00 -1.44 -1.18 103.07 101.98 2wr3 h GLY 63 Ca 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 2wr3 h GLY 63 CO -0.37 0.14 -0.10 -0.25 0.00 0.00 0.00 176.54 175.97 2wr3 h TRP 64 N 0.69 -0.26 -0.55 5.60 7.01 -0.44 0.03 115.95 128.03 2wr3 h TRP 64 Ca 0.32 -0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.27 2wr3 h TRP 64 Cb 0.23 0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.36 2wr3 h TRP 64 CO -0.08 -0.16 0.15 -0.07 -2.79 0.00 0.00 178.44 175.49 2wr3 h LEU 65 N -0.25 0.81 -1.03 0.65 3.38 -0.64 -2.71 115.31 115.52 2wr3 h LEU 65 Ca -0.02 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 2wr3 h LEU 65 Cb 0.21 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2wr3 h LEU 65 CO 0.02 0.82 -0.45 -0.07 0.09 0.00 0.00 178.44 178.85 2wr3 h LEU 66 N 0.76 0.09 -0.77 1.67 3.38 -1.22 -3.45 115.31 115.77 2wr3 h LEU 66 Ca 0.17 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2wr3 h LEU 66 Cb 0.31 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2wr3 h LEU 66 CO -0.00 0.52 0.00 0.61 0.09 0.00 0.00 178.44 179.66 2wr3 n GLY 67 N -0.19 0.79 3.63 0.83 0.00 -0.42 -1.35 105.19 108.48 2wr3 n GLY 67 Ca -0.02 -0.34 -0.50 0.00 0.00 0.00 0.00 46.02 45.16 2wr3 n GLY 67 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wr3 n ASN 68 N 0.34 2.24 0.16 1.61 2.85 -0.14 -0.25 115.26 122.08 2wr3 n ASN 68 Ca 0.00 1.10 0.12 0.00 -0.11 0.00 0.00 54.58 55.69 2wr3 n ASN 68 Cb 0.28 -1.27 0.59 0.00 1.24 0.00 0.00 39.78 40.62 2wr3 n ASN 68 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2wr3 h PRO 69 N 5.36 0.00 0.00 1.20 0.11 -1.90 0.12 132.00 136.88 2wr3 h PRO 69 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2wr3 h PRO 69 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2wr3 h PRO 69 CO 0.83 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.01 2wr3 n GLU 70 N -2.29 0.54 -0.48 1.05 -0.58 -1.26 -3.14 120.64 114.48 2wr3 n GLU 70 Ca -0.01 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.82 2wr3 n GLU 70 Cb 0.08 -1.50 0.29 0.00 -0.57 0.00 0.00 31.44 29.74 2wr3 n GLU 70 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wr3 h ASP 72 N 3.01 1.07 -0.07 0.00 3.45 -1.66 -2.78 116.42 119.45 2wr3 h ASP 72 Ca 0.00 -0.21 0.00 0.00 0.43 0.00 0.00 57.03 57.25 2wr3 h ASP 72 Cb 1.30 -0.28 0.00 0.00 -0.56 0.00 0.00 39.33 39.79 2wr3 h ASP 72 CO 0.19 1.01 0.00 0.54 -1.57 0.00 0.00 179.24 179.40 2wr3 n ARG 73 N -4.24 1.24 0.13 3.56 1.74 -1.26 -4.59 116.66 113.24 2wr3 n ARG 73 Ca 0.06 -0.29 0.03 0.00 -0.77 0.00 0.00 57.85 56.87 2wr3 n ARG 73 Cb 0.24 -1.20 0.40 0.00 -1.02 0.00 0.00 32.46 30.88 2wr3 n ARG 73 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2wr3 h LEU 74 N 0.44 0.20 -2.73 0.55 5.85 -1.85 -3.48 115.31 114.30 2wr3 h LEU 74 Ca 0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2wr3 h LEU 74 Cb 0.25 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.23 2wr3 h LEU 74 CO 0.01 0.36 -0.28 -0.11 -0.34 0.00 0.00 178.44 178.09 2wr3 n LEU 75 N -4.28 -4.00 -4.82 2.25 7.94 -1.26 -4.92 117.00 107.91 2wr3 n LEU 75 Ca -0.01 0.38 -0.37 0.00 -1.11 0.00 0.00 56.01 54.90 2wr3 n LEU 75 Cb 0.27 -1.79 -0.06 0.00 0.53 0.00 0.00 43.42 42.36 2wr3 n LEU 75 CO 0.38 -0.99 0.03 -0.55 -1.11 0.00 0.00 177.39 175.15 2wr3 s SER 76 N -0.86 6.64 0.23 1.96 0.15 -1.26 -4.81 113.70 115.75 2wr3 s SER 76 Ca 0.03 0.76 0.09 0.00 0.70 0.00 0.00 55.95 57.53 2wr3 s SER 76 Cb -0.01 -2.20 -0.04 0.00 -1.71 0.00 0.00 66.02 62.06 2wr3 s SER 76 CO 0.26 0.28 -0.02 0.68 1.20 0.00 0.00 173.24 175.64 2wr3 s VAL 77 N -0.68 3.45 -1.05 4.45 -7.23 -1.26 -5.05 120.40 113.04 2wr3 s VAL 77 Ca 0.21 -1.75 0.24 0.00 -1.81 0.00 0.00 61.98 58.87 2wr3 s VAL 77 Cb -0.15 -2.79 -0.04 0.00 0.56 0.00 0.00 36.38 33.96 2wr3 s VAL 77 CO 0.09 -0.26 1.30 -0.81 -0.31 0.00 0.00 175.10 175.11 2wr3 n PRO 78 N -0.52 0.05 0.00 4.82 -0.05 -1.26 -4.75 135.00 133.29 2wr3 n PRO 78 Ca -0.08 -0.04 0.00 0.00 -0.05 0.00 0.00 63.50 63.33 2wr3 n PRO 78 Cb 0.57 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 32.52 2wr3 n PRO 78 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 175.50 173.54 2wr3 n GLU 79 N -1.44 0.00 -1.25 0.54 2.13 -1.26 -1.39 120.64 117.96 2wr3 n GLU 79 Ca 0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 2wr3 n GLU 79 Cb 0.34 -0.08 0.00 0.00 0.27 0.00 0.00 31.44 31.97 2wr3 n GLU 79 CO 0.00 0.00 0.00 -2.67 -0.41 0.00 0.00 177.13 174.05 2wr3 n TRP 80 N -2.45 -1.68 -0.00 4.31 2.14 -1.25 -3.99 117.44 114.52 2wr3 n TRP 80 Ca 0.00 0.90 0.00 0.00 2.07 0.00 0.00 57.50 60.47 2wr3 n TRP 80 Cb 0.00 -1.53 0.00 0.00 -0.81 0.00 0.00 31.31 28.97 2wr3 n TRP 80 CO 0.00 0.00 0.00 -1.13 2.07 0.00 0.00 177.69 178.63 2wr3 n SER 81 N -1.54 0.01 -3.18 -0.67 3.41 -0.14 -3.02 113.62 108.49 2wr3 n SER 81 Ca 0.00 -0.44 -0.05 0.00 -0.26 0.00 0.00 58.87 58.12 2wr3 n SER 81 Cb 0.08 0.85 0.02 0.00 -0.26 0.00 0.00 64.21 64.90 2wr3 n SER 81 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2wr3 s TYR 82 N -0.85 0.09 -0.04 7.33 -0.85 -1.24 -4.71 117.35 117.08 2wr3 s TYR 82 Ca 0.00 -0.61 0.06 0.00 -0.52 0.00 0.00 57.07 56.00 2wr3 s TYR 82 Cb 0.00 0.76 -0.01 0.00 0.38 0.00 0.00 41.96 43.09 2wr3 s TYR 82 CO 0.00 -1.19 -0.22 0.42 -1.52 0.00 0.00 175.55 173.03 2wr3 s ILE 83 N -2.23 1.83 -0.24 -3.49 1.01 -1.00 -0.72 121.20 116.36 2wr3 s ILE 83 Ca 0.19 -0.95 -0.07 0.00 0.00 0.00 0.00 60.65 59.82 2wr3 s ILE 83 Cb -0.04 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.86 2wr3 s ILE 83 CO 0.08 0.51 0.05 -0.69 0.00 0.00 0.00 174.94 174.89 2wr3 s VAL 84 N -0.20 4.16 0.03 2.92 1.01 -0.42 0.26 120.40 128.15 2wr3 s VAL 84 Ca -0.01 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.76 2wr3 s VAL 84 Cb -0.12 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 2wr3 s VAL 84 CO 0.02 0.36 -0.06 -0.70 0.00 0.00 0.00 175.10 174.72 2wr3 s GLU 85 N 1.53 0.42 0.58 2.72 2.12 -0.90 -1.68 118.70 123.49 2wr3 s GLU 85 Ca 0.06 -0.57 -0.10 0.00 0.36 0.00 0.00 54.97 54.72 2wr3 s GLU 85 Cb -0.15 -0.21 -0.04 0.00 0.26 0.00 0.00 34.13 33.99 2wr3 s GLU 85 CO 0.02 0.04 0.97 0.15 -0.54 0.00 0.00 175.26 175.90 2wr3 s LYS 86 N -1.18 3.61 0.25 4.30 1.02 -1.26 -2.19 119.74 124.30 2wr3 s LYS 86 Ca -0.08 0.64 -0.05 0.00 0.02 0.00 0.00 55.97 56.50 2wr3 s LYS 86 Cb -0.08 -2.15 0.29 0.00 -0.52 0.00 0.00 37.83 35.37 2wr3 s LYS 86 CO -0.00 -0.47 1.84 1.49 -0.92 0.00 0.00 175.35 177.29 2wr3 h GLU 87 N -0.12 1.10 -2.88 1.68 4.57 -1.90 -3.32 114.58 113.71 2wr3 h GLU 87 Ca -0.45 -0.16 -0.61 0.00 -1.18 0.00 0.00 59.36 56.96 2wr3 h GLU 87 Cb 1.19 -0.20 -0.40 0.00 -0.16 0.00 0.00 28.75 29.19 2wr3 h GLU 87 CO 0.62 0.86 -0.74 1.21 -1.18 0.00 0.00 179.01 179.78 2wr3 s ASN 88 N -6.38 3.49 0.54 1.04 3.84 -1.26 -5.12 114.94 111.10 2wr3 s ASN 88 Ca -0.12 -3.14 -0.20 0.00 0.21 0.00 0.00 52.86 49.61 2wr3 s ASN 88 Cb 0.16 -1.10 -0.05 0.00 -0.55 0.00 0.00 41.25 39.71 2wr3 s ASN 88 CO 0.82 -0.18 1.17 -2.84 -2.79 0.00 0.00 177.10 173.28 2wr3 s PRO 89 N -0.32 3.31 -0.06 0.43 0.02 -1.25 -4.96 135.00 132.16 2wr3 s PRO 89 Ca 0.24 1.74 0.17 0.00 0.02 0.00 0.00 61.00 63.17 2wr3 s PRO 89 Cb -0.11 -2.07 -0.22 0.00 0.02 0.00 0.00 34.50 32.12 2wr3 s PRO 89 CO -0.10 -0.92 0.50 -2.37 -0.33 0.00 0.00 177.00 173.78 2wr3 n THR 90 N -1.22 1.20 -3.57 0.99 5.66 -0.84 -4.71 114.28 111.79 2wr3 n THR 90 Ca 0.11 -0.75 -0.40 0.00 -3.05 0.00 0.00 64.05 59.96 2wr3 n THR 90 Cb 0.50 -0.62 -0.07 0.00 -1.55 0.00 0.00 70.33 68.58 2wr3 n THR 90 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 2wr3 s ASN 91 N -5.60 5.76 0.00 1.09 0.01 -0.65 -4.96 114.94 110.59 2wr3 s ASN 91 Ca -0.06 -2.49 0.00 0.00 -0.71 0.00 0.00 52.86 49.60 2wr3 s ASN 91 Cb 0.08 -1.99 0.00 0.00 0.41 0.00 0.00 41.25 39.75 2wr3 s ASN 91 CO 0.83 -0.53 0.00 0.61 -1.51 0.00 0.00 177.10 176.50 2wr3 n GLY 92 N 4.09 1.02 3.48 0.66 0.00 -1.26 -1.99 105.19 111.18 2wr3 n GLY 92 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 2wr3 n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wr3 s LEU 93 N 0.00 4.28 0.16 0.99 1.43 -1.26 -3.91 118.68 120.38 2wr3 s LEU 93 Ca 0.00 -1.27 -0.15 0.00 -1.03 0.00 0.00 54.13 51.68 2wr3 s LEU 93 Cb 0.00 -2.45 0.07 0.00 0.03 0.00 0.00 46.19 43.83 2wr3 s LEU 93 CO 0.00 -1.40 1.78 0.00 0.23 0.00 0.00 176.35 176.96 2wr3 s TYR 95 N -6.15 3.54 0.62 0.00 5.04 -1.26 -4.71 117.35 114.43 2wr3 s TYR 95 Ca -0.13 1.61 -0.18 0.00 -2.44 0.00 0.00 57.07 55.92 2wr3 s TYR 95 Cb 0.12 -3.18 -0.02 0.00 0.35 0.00 0.00 41.96 39.23 2wr3 s TYR 95 CO 0.72 -0.22 1.24 -1.25 -1.34 0.00 0.00 175.55 174.70 2wr3 s PRO 96 N 1.70 2.78 0.00 4.97 0.05 -1.26 -4.79 135.00 138.46 2wr3 s PRO 96 Ca 0.50 1.91 0.00 0.00 0.05 0.00 0.00 61.00 63.46 2wr3 s PRO 96 Cb -0.20 -1.89 0.00 0.00 0.05 0.00 0.00 34.50 32.46 2wr3 s PRO 96 CO 0.21 -1.38 0.00 0.41 0.05 0.00 0.00 177.00 176.30 2wr3 n GLY 97 N 0.64 -0.55 3.31 0.56 0.00 -1.26 -0.79 105.19 107.10 2wr3 n GLY 97 Ca 0.14 -0.97 -0.16 0.00 0.00 0.00 0.00 46.02 45.03 2wr3 n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wr3 s SER 98 N -4.00 1.27 -0.20 1.61 1.04 -0.73 -4.92 113.70 107.78 2wr3 s SER 98 Ca 0.00 -1.35 0.00 0.00 0.48 0.00 0.00 55.95 55.08 2wr3 s SER 98 Cb 0.00 0.14 0.05 0.00 0.10 0.00 0.00 66.02 66.31 2wr3 s SER 98 CO 0.00 -0.70 -0.06 0.12 0.98 0.00 0.00 173.24 173.59 2wr3 s PHE 99 N -3.71 2.05 0.22 5.02 5.36 -1.26 -1.89 117.98 123.77 2wr3 s PHE 99 Ca 0.36 -1.42 -0.32 0.00 -0.96 0.00 0.00 56.93 54.59 2wr3 s PHE 99 Cb 0.08 -1.46 -0.13 0.00 -0.34 0.00 0.00 43.02 41.17 2wr3 s PHE 99 CO 0.12 -0.70 1.58 0.09 -1.46 0.00 0.00 175.22 174.85 2wr3 n ASN 100 N 4.77 3.39 -4.06 6.13 3.02 -0.08 -2.92 115.26 125.51 2wr3 n ASN 100 Ca -0.12 1.11 -0.30 0.00 -0.03 0.00 0.00 54.58 55.24 2wr3 n ASN 100 Cb 0.46 -1.50 -0.04 0.00 -0.61 0.00 0.00 39.78 38.10 2wr3 n ASN 100 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2wr3 n ASP 101 N 2.98 -0.67 -0.12 6.41 8.00 -1.26 -4.67 116.55 127.23 2wr3 n ASP 101 Ca 0.14 -1.12 -0.10 0.00 0.71 0.00 0.00 54.79 54.41 2wr3 n ASP 101 Cb 0.32 -2.49 -0.02 0.00 -0.02 0.00 0.00 41.12 38.92 2wr3 n ASP 101 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2wr3 h TYR 102 N -1.90 0.59 -0.78 1.24 3.20 -1.94 -2.11 116.97 115.26 2wr3 h TYR 102 Ca -0.65 -0.07 -0.05 0.00 3.14 0.00 0.00 58.73 61.10 2wr3 h TYR 102 Cb 1.38 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 39.46 2wr3 h TYR 102 CO 0.47 0.60 0.31 0.93 -1.64 0.00 0.00 178.16 178.83 2wr3 h GLU 103 N 0.41 1.17 -0.38 1.82 3.07 -1.89 0.61 114.58 119.39 2wr3 h GLU 103 Ca 0.11 -0.21 -0.05 0.00 -0.50 0.00 0.00 59.36 58.71 2wr3 h GLU 103 Cb 0.31 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 2wr3 h GLU 103 CO 0.00 0.95 0.03 0.93 -1.40 0.00 0.00 179.01 179.52 2wr3 h GLU 104 N 1.14 0.59 -0.34 2.33 4.39 -1.91 0.40 114.58 121.18 2wr3 h GLU 104 Ca 0.26 -0.12 -0.15 0.00 0.34 0.00 0.00 59.36 59.68 2wr3 h GLU 104 Cb 0.22 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2wr3 h GLU 104 CO -0.02 0.59 -0.40 1.25 -1.16 0.00 0.00 179.01 179.27 2wr3 h LEU 105 N 0.56 0.89 -0.01 1.33 5.85 -0.58 -2.27 115.31 121.08 2wr3 h LEU 105 Ca 0.12 -0.41 -0.00 0.00 0.84 0.00 0.00 57.88 58.43 2wr3 h LEU 105 Cb 0.32 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 2wr3 h LEU 105 CO 0.01 1.18 -0.00 0.11 -0.34 0.00 0.00 178.44 179.39 2wr3 h LYS 106 N 0.68 0.02 -0.72 1.25 1.57 -0.54 -2.47 116.57 116.36 2wr3 h LYS 106 Ca 0.05 -0.01 0.16 0.00 -1.87 0.00 0.00 60.65 58.98 2wr3 h LYS 106 Cb 0.97 -0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.17 2wr3 h LYS 106 CO 0.09 0.36 0.15 1.25 -0.57 0.00 0.00 179.45 180.74 2wr3 h HIS 107 N -0.32 0.23 -0.32 -1.35 2.76 -0.91 0.10 115.15 115.33 2wr3 h HIS 107 Ca 0.00 0.04 0.07 0.00 -2.20 0.00 0.00 60.37 58.29 2wr3 h HIS 107 Cb 0.35 0.01 -0.08 0.00 1.55 0.00 0.00 27.41 29.25 2wr3 h HIS 107 CO 0.04 -0.10 -0.21 1.25 -1.30 0.00 0.00 177.93 177.61 2wr3 h LEU 108 N 0.24 -0.70 0.00 0.26 6.46 -1.22 -2.59 115.31 117.76 2wr3 h LEU 108 Ca 0.40 0.14 0.00 0.00 -0.12 0.00 0.00 57.88 58.31 2wr3 h LEU 108 Cb 0.69 0.36 0.00 0.00 -0.73 0.00 0.00 40.66 40.97 2wr3 h LEU 108 CO -0.52 -0.25 0.00 0.18 -0.62 0.00 0.00 178.44 177.24 2wr3 n LEU 109 N -5.37 0.00 -0.13 2.25 4.77 -0.01 -4.13 117.00 114.37 2wr3 n LEU 109 Ca 0.01 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.90 2wr3 n LEU 109 Cb 0.28 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.43 2wr3 n LEU 109 CO 0.13 0.00 0.72 0.00 -1.33 0.00 0.00 177.39 176.92 2wr3 h THR 110 N 0.00 1.27 -3.71 -5.08 1.03 -1.06 -3.43 112.91 101.93 2wr3 h THR 110 Ca 0.00 -1.30 -0.23 0.00 -0.01 0.00 0.00 66.41 64.87 2wr3 h THR 110 Cb 0.00 1.09 -0.28 0.00 -1.07 0.00 0.00 68.15 67.89 2wr3 h THR 110 CO 0.00 0.45 -0.71 -0.55 -0.01 0.00 0.00 175.52 174.70 2wr3 s SER 111 N -6.71 -0.00 -0.14 0.00 0.15 -1.26 -3.68 113.70 102.06 2wr3 s SER 111 Ca -0.10 0.01 -0.07 0.00 0.70 0.00 0.00 55.95 56.48 2wr3 s SER 111 Cb 0.13 0.02 0.05 0.00 -1.71 0.00 0.00 66.02 64.52 2wr3 s SER 111 CO 0.85 -0.01 0.33 -0.69 1.20 0.00 0.00 173.24 174.92 2wr3 s VAL 112 N -0.04 -0.03 0.03 4.45 1.01 -1.17 -4.84 120.40 119.82 2wr3 s VAL 112 Ca -0.00 0.12 0.10 0.00 0.00 0.00 0.00 61.98 62.19 2wr3 s VAL 112 Cb -0.00 -0.50 -0.16 0.00 0.00 0.00 0.00 36.38 35.71 2wr3 s VAL 112 CO -0.00 0.05 1.18 0.71 0.00 0.00 0.00 175.10 177.04 2wr3 h THR 113 N 5.70 1.36 -2.11 3.92 1.35 -1.30 -3.38 112.91 118.46 2wr3 h THR 113 Ca -0.39 -3.03 -0.06 0.00 -0.55 0.00 0.00 66.41 62.38 2wr3 h THR 113 Cb 1.17 2.66 -0.19 0.00 -1.73 0.00 0.00 68.15 70.06 2wr3 h THR 113 CO 0.33 0.78 0.14 -2.28 -0.25 0.00 0.00 175.52 174.24 2wr3 s HIS 114 N -2.74 -0.62 -0.28 4.73 5.65 -1.22 -4.64 115.29 116.17 2wr3 s HIS 114 Ca 0.00 1.11 -0.13 0.00 0.25 0.00 0.00 55.06 56.29 2wr3 s HIS 114 Cb 0.09 0.37 0.10 0.00 -1.18 0.00 0.00 32.58 31.96 2wr3 s HIS 114 CO 0.81 -0.57 0.66 0.12 -0.65 0.00 0.00 174.74 175.11 2wr3 s PHE 115 N -1.07 -1.17 -0.12 3.88 2.19 -0.49 -2.07 117.98 119.14 2wr3 s PHE 115 Ca -0.10 2.18 -0.07 0.00 0.33 0.00 0.00 56.93 59.27 2wr3 s PHE 115 Cb -0.01 0.69 0.05 0.00 -1.31 0.00 0.00 43.02 42.44 2wr3 s PHE 115 CO 0.09 -0.58 0.28 -2.00 1.83 0.00 0.00 175.22 174.83 2wr3 s GLU 116 N 2.19 0.26 0.00 10.12 2.12 -0.19 -4.55 118.70 128.64 2wr3 s GLU 116 Ca -0.08 0.55 -0.30 0.00 0.36 0.00 0.00 54.97 55.50 2wr3 s GLU 116 Cb -0.08 -0.06 -0.03 0.00 0.26 0.00 0.00 34.13 34.22 2wr3 s GLU 116 CO -0.19 -0.14 0.99 0.21 -0.54 0.00 0.00 175.26 175.59 2wr3 s LYS 117 N 1.10 4.55 -0.04 4.30 2.20 -1.26 -1.13 119.74 129.45 2wr3 s LYS 117 Ca -0.08 1.44 0.05 0.00 -0.36 0.00 0.00 55.97 57.03 2wr3 s LYS 117 Cb -0.09 -3.45 -0.01 0.00 -1.51 0.00 0.00 37.83 32.77 2wr3 s LYS 117 CO -0.08 -0.06 -0.21 0.42 -0.36 0.00 0.00 175.35 175.06 2wr3 s ILE 118 N 1.01 1.72 -0.77 5.43 1.01 0.54 -4.96 121.20 125.19 2wr3 s ILE 118 Ca 0.52 -0.89 -0.23 0.00 0.00 0.00 0.00 60.65 60.05 2wr3 s ILE 118 Cb -0.22 -1.46 0.07 0.00 0.01 0.00 0.00 42.46 40.86 2wr3 s ILE 118 CO 0.28 0.49 1.14 -0.75 0.00 0.00 0.00 174.94 176.09 2wr3 s LYS 119 N -0.13 3.27 -0.06 2.79 2.20 -1.26 -0.80 119.74 125.75 2wr3 s LYS 119 Ca -0.02 -0.85 0.16 0.00 -0.36 0.00 0.00 55.97 54.90 2wr3 s LYS 119 Cb -0.12 -4.47 -0.22 0.00 -1.51 0.00 0.00 37.83 31.52 2wr3 s LYS 119 CO 0.02 -1.95 0.54 0.44 -0.36 0.00 0.00 175.35 174.05 2wr3 n ILE 120 N 6.11 1.37 -3.37 5.43 -5.35 -0.66 -4.69 119.36 118.20 2wr3 n ILE 120 Ca 0.07 -0.77 -0.26 0.00 -0.27 0.00 0.00 62.75 61.52 2wr3 n ILE 120 Cb 0.48 -0.76 -0.09 0.00 -1.74 0.00 0.00 39.64 37.53 2wr3 n ILE 120 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2wr3 n LEU 121 N -2.89 0.77 -4.62 7.28 4.77 -0.31 -4.95 117.00 117.05 2wr3 n LEU 121 Ca -0.18 -4.75 -0.46 0.00 -0.03 0.00 0.00 56.01 50.59 2wr3 n LEU 121 Cb 1.00 0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 42.34 2wr3 n LEU 121 CO 0.44 1.97 0.77 -2.65 -1.33 0.00 0.00 177.39 176.58 2wr3 n PRO 122 N 1.86 1.54 -0.35 3.23 -0.02 -1.26 -4.48 135.00 135.52 2wr3 n PRO 122 Ca 0.25 0.55 -0.03 0.00 -2.02 0.00 0.00 63.50 62.25 2wr3 n PRO 122 Cb 0.48 -2.06 0.10 0.00 -0.02 0.00 0.00 33.50 32.00 2wr3 n PRO 122 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wr3 h ARG 123 N 3.11 1.27 -0.86 -0.52 3.08 -1.95 -2.85 114.38 115.66 2wr3 h ARG 123 Ca -0.43 -0.11 0.20 0.00 0.07 0.00 0.00 59.98 59.71 2wr3 h ARG 123 Cb 1.32 -0.27 -0.06 0.00 0.08 0.00 0.00 29.97 31.04 2wr3 h ARG 123 CO 0.68 0.89 0.58 0.38 -1.07 0.00 0.00 179.97 181.42 2wr3 h ASP 124 N 1.29 0.35 0.00 7.04 -0.00 -2.02 -1.39 116.42 121.69 2wr3 h ASP 124 Ca 0.34 0.03 0.00 0.00 -0.00 0.00 0.00 57.03 57.40 2wr3 h ASP 124 Cb -0.06 -0.03 0.00 0.00 -0.00 0.00 0.00 39.33 39.24 2wr3 h ASP 124 CO -0.06 0.15 0.00 0.00 -0.00 0.00 0.00 179.24 179.32 2wr3 n GLN 125 N -4.48 0.80 -1.27 4.15 6.02 -1.07 -3.58 117.38 117.96 2wr3 n GLN 125 Ca 0.18 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.95 2wr3 n GLN 125 Cb 0.69 -1.41 -0.11 0.00 1.02 0.00 0.00 30.24 30.43 2wr3 n GLN 125 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 2wr3 n TRP 126 N -0.91 0.99 -0.35 1.08 7.02 -0.53 -4.75 117.44 119.99 2wr3 n TRP 126 Ca 0.16 -1.94 0.27 0.00 -1.02 0.00 0.00 57.50 54.97 2wr3 n TRP 126 Cb 0.07 -1.67 0.56 0.00 -2.42 0.00 0.00 31.31 27.85 2wr3 n TRP 126 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2wr3 h THR 127 N 2.17 0.41 -0.02 -0.99 1.03 -1.83 -1.57 112.91 112.12 2wr3 h THR 127 Ca 0.38 -0.10 0.00 0.00 -0.01 0.00 0.00 66.41 66.68 2wr3 h THR 127 Cb 1.03 0.10 0.00 0.00 -1.07 0.00 0.00 68.15 68.20 2wr3 h THR 127 CO 0.72 0.05 -0.02 0.00 -0.01 0.00 0.00 175.52 176.26 2wr3 n GLN 128 N -4.62 1.68 -4.39 0.00 6.02 -1.26 -4.93 117.38 109.88 2wr3 n GLN 128 Ca 0.28 -1.04 -0.20 0.00 -0.01 0.00 0.00 57.00 56.03 2wr3 n GLN 128 Cb 1.04 -1.48 -0.10 0.00 1.02 0.00 0.00 30.24 30.71 2wr3 n GLN 128 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2wr3 s HIS 129 N -2.04 1.79 0.06 1.08 3.76 -0.59 -4.50 115.29 114.85 2wr3 s HIS 129 Ca 0.36 -0.89 -0.21 0.00 -0.15 0.00 0.00 55.06 54.16 2wr3 s HIS 129 Cb 0.21 -1.08 -0.06 0.00 1.11 0.00 0.00 32.58 32.75 2wr3 s HIS 129 CO 0.35 0.04 0.63 0.99 -0.85 0.00 0.00 174.74 175.90 2wr3 s THR 130 N -3.30 4.73 -0.02 1.30 2.01 0.68 -4.86 115.64 116.18 2wr3 s THR 130 Ca 0.32 1.35 0.02 0.00 0.31 0.00 0.00 61.69 63.69 2wr3 s THR 130 Cb 0.06 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 2wr3 s THR 130 CO 0.12 0.49 0.01 0.41 -0.69 0.00 0.00 174.62 174.96 2wr3 n THR 131 N 2.14 0.16 1.34 -0.82 -1.04 -1.26 -1.23 114.28 113.57 2wr3 n THR 131 Ca -0.08 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 2wr3 n THR 131 Cb 0.50 -0.88 0.00 0.00 -1.82 0.00 0.00 70.33 68.13 2wr3 n THR 131 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2wr3 n THR 132 N -2.07 0.00 -1.68 12.58 -2.24 -1.26 -4.44 114.28 115.17 2wr3 n THR 132 Ca -0.04 0.00 -0.47 0.00 -2.27 0.00 0.00 64.05 61.28 2wr3 n THR 132 Cb 0.56 -0.16 -0.04 0.00 -2.10 0.00 0.00 70.33 68.58 2wr3 n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr3 n GLY 133 N 0.18 1.40 0.00 3.38 0.00 -1.26 -4.95 105.19 103.94 2wr3 n GLY 133 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.80 2wr3 n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wr3 n GLY 134 N 4.09 4.22 3.39 -0.02 0.00 -1.26 -4.61 105.19 111.00 2wr3 n GLY 134 Ca 0.20 -1.79 -0.15 0.00 0.00 0.00 0.00 46.02 44.28 2wr3 n GLY 134 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wr3 s SER 135 N -0.84 -0.45 0.30 1.61 0.15 0.16 -4.85 113.70 109.77 2wr3 s SER 135 Ca 0.00 0.56 0.24 0.00 0.70 0.00 0.00 55.95 57.45 2wr3 s SER 135 Cb 0.00 0.58 1.08 0.00 -1.71 0.00 0.00 66.02 65.97 2wr3 s SER 135 CO 0.00 -0.45 1.74 -0.09 1.20 0.00 0.00 173.24 175.64 2wr3 h ARG 136 N 3.88 0.00 0.00 5.44 2.43 -1.92 -2.29 114.38 121.92 2wr3 h ARG 136 Ca -0.28 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.80 2wr3 h ARG 136 Cb 1.16 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 2wr3 h ARG 136 CO 0.34 0.00 -0.44 0.00 -1.51 0.00 0.00 179.97 178.36 2wr3 h ALA 137 N 2.19 1.20 -1.11 2.80 0.00 -1.90 -3.13 119.26 119.31 2wr3 h ALA 137 Ca 0.00 -0.40 -0.57 0.00 0.00 0.00 0.00 54.91 53.94 2wr3 h ALA 137 Cb 0.30 -0.07 -0.43 0.00 0.00 0.00 0.00 17.79 17.59 2wr3 h ALA 137 CO 0.00 0.55 -0.78 0.00 0.00 0.00 0.00 179.25 179.03 2wr3 s ALA 139 N -3.57 3.35 -0.46 0.00 0.00 -1.18 -2.65 121.76 117.24 2wr3 s ALA 139 Ca 0.50 0.82 -0.10 0.00 0.00 0.00 0.00 51.96 53.18 2wr3 s ALA 139 Cb 0.41 -3.30 0.11 0.00 0.00 0.00 0.00 23.12 20.34 2wr3 s ALA 139 CO -0.07 -0.11 0.34 0.14 0.00 0.00 0.00 175.76 176.06 2wr3 s VAL 140 N -1.24 4.27 0.00 0.00 -7.23 0.31 -4.84 120.40 111.67 2wr3 s VAL 140 Ca 0.46 -1.69 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 2wr3 s VAL 140 Cb -0.30 -3.77 0.00 0.00 0.56 0.00 0.00 36.38 32.88 2wr3 s VAL 140 CO 0.38 -0.72 0.00 -1.54 -0.31 0.00 0.00 175.10 172.90 2wr3 n SER 141 N 4.93 0.00 -2.03 4.85 3.41 -1.26 -1.32 113.62 122.19 2wr3 n SER 141 Ca -0.09 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.51 2wr3 n SER 141 Cb 0.41 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.41 2wr3 n SER 141 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wr3 n GLY 142 N 0.00 2.52 3.88 5.00 0.00 -1.26 -5.11 105.19 110.22 2wr3 n GLY 142 Ca 0.00 -1.24 -0.31 0.00 0.00 0.00 0.00 46.02 44.47 2wr3 n GLY 142 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wr3 s ASN 143 N -3.11 6.58 0.30 1.61 -0.87 -0.44 -5.02 114.94 113.99 2wr3 s ASN 143 Ca 0.34 0.92 -0.30 0.00 -1.57 0.00 0.00 52.86 52.25 2wr3 s ASN 143 Cb 0.36 -2.23 -0.12 0.00 -0.02 0.00 0.00 41.25 39.24 2wr3 s ASN 143 CO -0.08 -0.16 1.44 -2.65 -2.57 0.00 0.00 177.10 173.08 2wr3 n PRO 144 N -0.52 2.32 0.00 -0.60 -0.02 -1.26 -0.53 135.00 134.39 2wr3 n PRO 144 Ca 0.00 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 2wr3 n PRO 144 Cb 0.53 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 2wr3 n PRO 144 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2wr3 n SER 145 N 1.58 0.26 -3.62 2.55 2.88 -0.93 -4.57 113.62 111.77 2wr3 n SER 145 Ca 0.08 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.58 2wr3 n SER 145 Cb 0.35 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.80 2wr3 n SER 145 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2wr3 s PHE 146 N 0.63 -0.16 0.07 0.66 5.36 -1.22 0.36 117.98 123.69 2wr3 s PHE 146 Ca 0.00 0.01 -0.36 0.00 -0.96 0.00 0.00 56.93 55.62 2wr3 s PHE 146 Cb 0.00 0.56 -0.15 0.00 -0.34 0.00 0.00 43.02 43.08 2wr3 s PHE 146 CO 0.00 -0.45 1.48 1.19 -1.46 0.00 0.00 175.22 175.97 2wr3 n PHE 147 N -0.32 1.84 0.36 10.12 3.01 -1.26 -4.70 117.46 126.51 2wr3 n PHE 147 Ca -0.06 0.48 0.14 0.00 1.01 0.00 0.00 57.45 59.02 2wr3 n PHE 147 Cb 0.61 -2.43 0.45 0.00 -0.01 0.00 0.00 39.48 38.10 2wr3 n PHE 147 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wr3 h ARG 148 N 5.44 0.00 -0.02 -1.08 3.08 -0.60 -2.66 114.38 118.54 2wr3 h ARG 148 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2wr3 h ARG 148 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 2wr3 h ARG 148 CO 0.84 0.00 -0.04 0.09 -1.07 0.00 0.00 179.97 179.79 2wr3 n ASN 149 N -2.73 2.07 -4.46 7.04 3.02 -0.46 -4.95 115.26 114.80 2wr3 n ASN 149 Ca 0.03 -1.66 -0.26 0.00 -0.03 0.00 0.00 54.58 52.66 2wr3 n ASN 149 Cb 0.38 0.03 -0.11 0.00 -0.61 0.00 0.00 39.78 39.47 2wr3 n ASN 149 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2wr3 s MET 150 N -2.05 1.64 -0.19 3.52 -1.94 -1.00 -1.87 119.30 117.41 2wr3 s MET 150 Ca 0.32 -1.54 0.01 0.00 -1.71 0.00 0.00 55.69 52.77 2wr3 s MET 150 Cb 0.20 -1.88 0.03 0.00 2.01 0.00 0.00 34.83 35.19 2wr3 s MET 150 CO 0.34 0.39 -0.18 0.08 -0.01 0.00 0.00 175.02 175.64 2wr3 s VAL 151 N -1.87 2.00 -0.97 -6.03 1.01 0.11 -4.81 120.40 109.84 2wr3 s VAL 151 Ca 0.24 -0.98 -0.20 0.00 0.00 0.00 0.00 61.98 61.04 2wr3 s VAL 151 Cb -0.07 -1.86 0.11 0.00 0.00 0.00 0.00 36.38 34.56 2wr3 s VAL 151 CO 0.12 0.46 1.24 0.86 0.00 0.00 0.00 175.10 177.78 2wr3 s TRP 152 N 1.30 2.94 -0.06 5.22 -0.11 -1.26 -1.22 118.94 125.75 2wr3 s TRP 152 Ca 0.03 -1.24 -0.30 0.00 1.22 0.00 0.00 56.10 55.82 2wr3 s TRP 152 Cb -0.14 -4.42 -0.06 0.00 -1.50 0.00 0.00 33.47 27.35 2wr3 s TRP 152 CO -0.12 -1.63 1.83 -0.51 -4.62 0.00 0.00 176.95 171.90 2wr3 s LEU 153 N 3.39 4.22 0.34 5.86 1.43 -1.21 -4.26 118.68 128.44 2wr3 s LEU 153 Ca 0.37 2.29 0.06 0.00 -1.03 0.00 0.00 54.13 55.82 2wr3 s LEU 153 Cb -0.03 -3.53 -0.07 0.00 0.03 0.00 0.00 46.19 42.59 2wr3 s LEU 153 CO -0.09 -1.13 0.01 0.42 0.23 0.00 0.00 176.35 175.79 2wr3 s THR 154 N 4.81 1.57 0.64 5.49 -4.23 -0.36 -4.65 115.64 118.91 2wr3 s THR 154 Ca 0.82 -2.04 -0.18 0.00 -1.18 0.00 0.00 61.69 59.11 2wr3 s THR 154 Cb -0.36 -2.75 -0.01 0.00 1.34 0.00 0.00 72.50 70.72 2wr3 s THR 154 CO 0.35 -0.09 1.24 -1.59 -0.54 0.00 0.00 174.62 173.99 2wr3 s LYS 155 N -3.79 2.67 -0.24 3.99 -2.85 -0.55 -0.23 119.74 118.74 2wr3 s LYS 155 Ca 0.34 1.89 0.02 0.00 -1.00 0.00 0.00 55.97 57.23 2wr3 s LYS 155 Cb 0.07 -1.88 0.05 0.00 -2.06 0.00 0.00 37.83 34.01 2wr3 s LYS 155 CO 0.15 -1.46 -0.13 0.21 0.10 0.00 0.00 175.35 174.22 2wr3 s LYS 156 N -3.47 2.43 4.22 1.78 2.20 -0.11 -4.08 119.74 122.71 2wr3 s LYS 156 Ca 0.78 -1.22 0.00 0.00 -0.36 0.00 0.00 55.97 55.18 2wr3 s LYS 156 Cb -0.32 -2.81 0.00 0.00 -1.51 0.00 0.00 37.83 33.18 2wr3 s LYS 156 CO 0.38 -0.48 0.00 0.41 -0.36 0.00 0.00 175.35 175.30 2wr3 n GLY 157 N 4.48 0.73 1.95 5.54 0.00 -1.26 -3.01 105.19 113.61 2wr3 n GLY 157 Ca -0.16 -0.85 -0.03 0.00 0.00 0.00 0.00 46.02 44.98 2wr3 n GLY 157 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wr3 n SER 158 N 2.91 4.94 -4.24 1.61 3.41 -1.26 -4.96 113.62 116.02 2wr3 n SER 158 Ca 0.00 -3.10 -0.27 0.00 -0.26 0.00 0.00 58.87 55.24 2wr3 n SER 158 Cb 0.00 -0.73 -0.15 0.00 -0.26 0.00 0.00 64.21 63.07 2wr3 n SER 158 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2wr3 s ASN 159 N -0.89 2.54 -0.37 4.04 -0.87 -1.16 -4.90 114.94 113.33 2wr3 s ASN 159 Ca 0.53 -0.44 0.00 0.00 -1.57 0.00 0.00 52.86 51.38 2wr3 s ASN 159 Cb 0.42 -0.26 0.14 0.00 -0.02 0.00 0.00 41.25 41.53 2wr3 s ASN 159 CO 0.14 0.23 0.21 -0.47 -2.57 0.00 0.00 177.10 174.64 2wr3 s TYR 160 N -0.61 1.01 1.20 2.20 5.04 -1.26 -0.93 117.35 124.00 2wr3 s TYR 160 Ca 0.08 -1.78 -0.16 0.00 -2.44 0.00 0.00 57.07 52.77 2wr3 s TYR 160 Cb -0.09 -1.15 0.29 0.00 0.35 0.00 0.00 41.96 41.36 2wr3 s TYR 160 CO 0.00 -0.82 1.03 -2.14 -1.34 0.00 0.00 175.55 172.28 2wr3 s PRO 161 N 0.95 -1.21 -0.09 4.97 0.02 -1.26 -4.90 135.00 133.48 2wr3 s PRO 161 Ca 0.17 0.46 -0.30 0.00 0.02 0.00 0.00 61.00 61.36 2wr3 s PRO 161 Cb -0.23 -1.55 -0.04 0.00 0.02 0.00 0.00 34.50 32.70 2wr3 s PRO 161 CO -0.01 -3.82 1.51 0.08 -0.33 0.00 0.00 177.00 174.44 2wr3 s VAL 162 N -2.60 3.83 -0.23 3.83 1.01 -1.26 -4.80 120.40 120.16 2wr3 s VAL 162 Ca 0.68 1.00 -0.26 0.00 0.00 0.00 0.00 61.98 63.40 2wr3 s VAL 162 Cb -0.19 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.54 2wr3 s VAL 162 CO 0.61 -0.09 0.91 0.00 0.00 0.00 0.00 175.10 176.53 2wr3 s ALA 163 N 3.82 3.66 -0.26 5.51 0.00 -0.01 -4.93 121.76 129.55 2wr3 s ALA 163 Ca 0.67 -0.01 -0.03 0.00 0.00 0.00 0.00 51.96 52.59 2wr3 s ALA 163 Cb -0.29 -3.38 0.11 0.00 0.00 0.00 0.00 23.12 19.55 2wr3 s ALA 163 CO 0.24 -0.96 0.22 0.21 0.00 0.00 0.00 175.76 175.47 2wr3 s LYS 164 N 2.95 0.23 0.12 0.00 2.20 -1.26 -0.67 119.74 123.32 2wr3 s LYS 164 Ca 0.38 -0.15 0.01 0.00 -0.36 0.00 0.00 55.97 55.85 2wr3 s LYS 164 Cb -0.15 -1.02 -0.04 0.00 -1.51 0.00 0.00 37.83 35.11 2wr3 s LYS 164 CO 0.07 -0.90 -0.01 1.03 -0.36 0.00 0.00 175.35 175.18 2wr3 s ARG 165 N 2.27 0.89 0.12 4.03 0.52 -0.98 -5.01 118.95 120.79 2wr3 s ARG 165 Ca 0.08 -1.39 -0.12 0.00 -0.52 0.00 0.00 55.73 53.78 2wr3 s ARG 165 Cb -0.15 -0.04 0.01 0.00 0.52 0.00 0.00 34.95 35.29 2wr3 s ARG 165 CO -0.27 -0.12 0.30 -1.54 0.02 0.00 0.00 175.30 173.69 2wr3 s SER 166 N -3.06 -0.05 -0.09 0.23 1.04 -1.26 -0.31 113.70 110.20 2wr3 s SER 166 Ca 0.17 -0.54 -0.04 0.00 0.48 0.00 0.00 55.95 56.02 2wr3 s SER 166 Cb 0.07 0.42 0.05 0.00 0.10 0.00 0.00 66.02 66.65 2wr3 s SER 166 CO -0.02 -0.81 0.21 -0.47 0.98 0.00 0.00 173.24 173.12 2wr3 s TYR 167 N -3.85 -0.27 -0.20 5.02 5.04 -0.48 -4.97 117.35 117.63 2wr3 s TYR 167 Ca 0.06 0.71 -0.14 0.00 -2.44 0.00 0.00 57.07 55.25 2wr3 s TYR 167 Cb 0.03 -0.06 -0.04 0.00 0.35 0.00 0.00 41.96 42.23 2wr3 s TYR 167 CO -0.10 -0.25 0.32 1.21 -1.34 0.00 0.00 175.55 175.40 2wr3 s ASN 168 N 1.66 6.37 -1.01 4.32 3.84 -1.26 -1.04 114.94 127.82 2wr3 s ASN 168 Ca -0.05 0.43 -0.23 0.00 0.21 0.00 0.00 52.86 53.22 2wr3 s ASN 168 Cb -0.11 -2.19 0.00 0.00 -0.55 0.00 0.00 41.25 38.39 2wr3 s ASN 168 CO -0.07 -0.00 1.72 0.21 -2.79 0.00 0.00 177.10 176.16 2wr3 s ASN 169 N 0.91 5.85 -0.18 -4.21 2.47 0.91 -4.75 114.94 115.94 2wr3 s ASN 169 Ca 0.16 -1.24 0.14 0.00 0.42 0.00 0.00 52.86 52.34 2wr3 s ASN 169 Cb -0.14 -2.57 0.71 0.00 -1.45 0.00 0.00 41.25 37.80 2wr3 s ASN 169 CO 0.06 -2.12 1.59 0.35 -3.72 0.00 0.00 177.10 173.27 2wr3 n THR 170 N 7.33 2.22 0.75 -5.21 -2.24 -1.26 0.67 114.28 116.55 2wr3 n THR 170 Ca 0.38 -1.19 0.13 0.00 -2.27 0.00 0.00 64.05 61.10 2wr3 n THR 170 Cb 0.49 -0.19 0.38 0.00 -2.10 0.00 0.00 70.33 68.90 2wr3 n THR 170 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2wr3 n SER 171 N 0.69 0.55 0.00 3.42 3.41 -1.26 -4.90 113.62 115.53 2wr3 n SER 171 Ca 0.24 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 2wr3 n SER 171 Cb 1.02 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 2wr3 n SER 171 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wr3 n GLY 172 N 1.39 2.67 3.25 5.00 0.00 -1.26 -5.01 105.19 111.23 2wr3 n GLY 172 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 2wr3 n GLY 172 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wr3 s GLU 173 N -0.83 1.07 0.37 1.61 2.02 -1.26 -5.02 118.70 116.67 2wr3 s GLU 173 Ca 0.00 -1.45 -0.28 0.00 0.02 0.00 0.00 54.97 53.26 2wr3 s GLU 173 Cb 0.00 -0.67 -0.11 0.00 0.10 0.00 0.00 34.13 33.45 2wr3 s GLU 173 CO 0.00 0.09 1.50 -1.14 0.02 0.00 0.00 175.26 175.73 2wr3 s GLN 174 N -3.69 4.09 -0.08 1.61 0.74 -1.26 -4.65 119.66 116.42 2wr3 s GLN 174 Ca 0.17 2.59 0.02 0.00 0.05 0.00 0.00 55.36 58.19 2wr3 s GLN 174 Cb 0.02 -2.96 0.01 0.00 1.10 0.00 0.00 33.01 31.18 2wr3 s GLN 174 CO 0.01 -0.56 -0.13 1.41 -0.55 0.00 0.00 175.29 175.47 2wr3 s MET 175 N -2.02 1.88 -0.01 1.67 -2.45 -0.06 -1.40 119.30 116.91 2wr3 s MET 175 Ca 0.54 -0.45 -0.28 0.00 -1.25 0.00 0.00 55.69 54.25 2wr3 s MET 175 Cb -0.47 -1.60 -0.04 0.00 1.25 0.00 0.00 34.83 33.98 2wr3 s MET 175 CO 0.63 -0.03 0.87 -1.17 1.05 0.00 0.00 175.02 176.38 2wr3 s LEU 176 N 0.87 4.37 -0.04 4.11 2.96 0.18 0.83 118.68 131.96 2wr3 s LEU 176 Ca -0.10 1.51 0.03 0.00 -0.22 0.00 0.00 54.13 55.34 2wr3 s LEU 176 Cb -0.15 -3.39 0.01 0.00 0.50 0.00 0.00 46.19 43.15 2wr3 s LEU 176 CO 0.01 -0.17 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.13 2wr3 s ILE 177 N 0.75 0.96 -0.04 6.68 1.01 -0.01 -1.40 121.20 129.16 2wr3 s ILE 177 Ca 0.46 -0.42 0.06 0.00 0.00 0.00 0.00 60.65 60.75 2wr3 s ILE 177 Cb -0.20 -0.87 -0.02 0.00 0.01 0.00 0.00 42.46 41.37 2wr3 s ILE 177 CO 0.25 0.30 -0.21 -0.63 0.00 0.00 0.00 174.94 174.65 2wr3 s ILE 178 N 0.41 2.51 0.16 2.92 1.01 -1.26 -1.31 121.20 125.64 2wr3 s ILE 178 Ca -0.08 -0.93 -0.01 0.00 0.00 0.00 0.00 60.65 59.62 2wr3 s ILE 178 Cb -0.12 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 2wr3 s ILE 178 CO 0.02 0.58 0.09 -1.66 0.00 0.00 0.00 174.94 173.97 2wr3 s TRP 179 N -0.64 0.97 0.06 3.97 -2.14 -0.51 -3.82 118.94 116.84 2wr3 s TRP 179 Ca 0.10 -1.28 0.00 0.00 2.66 0.00 0.00 56.10 57.58 2wr3 s TRP 179 Cb -0.10 -0.50 -0.04 0.00 -3.10 0.00 0.00 33.47 29.72 2wr3 s TRP 179 CO -0.00 -0.57 -0.05 0.20 -2.66 0.00 0.00 176.95 173.87 2wr3 s GLY 180 N -3.09 0.54 -0.04 3.67 0.00 0.94 -0.28 107.32 109.06 2wr3 s GLY 180 Ca 0.30 -1.14 0.03 0.00 0.00 0.00 0.00 44.72 43.91 2wr3 s GLY 180 CO 0.06 -1.24 -0.14 -1.50 0.00 0.00 0.00 173.10 170.28 2wr3 s ILE 181 N -3.29 1.18 -0.20 0.90 2.07 -0.59 0.70 121.20 121.97 2wr3 s ILE 181 Ca 0.04 -0.56 -0.19 0.00 -1.41 0.00 0.00 60.65 58.53 2wr3 s ILE 181 Cb 0.03 -1.04 -0.03 0.00 0.13 0.00 0.00 42.46 41.56 2wr3 s ILE 181 CO -0.06 0.35 0.55 -2.28 -1.91 0.00 0.00 174.94 171.59 2wr3 s HIS 182 N 0.24 3.38 -0.61 3.50 5.65 0.97 -1.77 115.29 126.64 2wr3 s HIS 182 Ca -0.06 0.82 -0.13 0.00 0.25 0.00 0.00 55.06 55.94 2wr3 s HIS 182 Cb -0.12 -2.70 0.15 0.00 -1.18 0.00 0.00 32.58 28.73 2wr3 s HIS 182 CO 0.02 -0.11 0.54 0.71 -0.65 0.00 0.00 174.74 175.24 2wr3 s TYR 183 N 1.68 3.44 0.86 3.88 2.02 0.10 -4.75 117.35 124.58 2wr3 s TYR 183 Ca 0.25 -1.71 -0.11 0.00 -0.37 0.00 0.00 57.07 55.13 2wr3 s TYR 183 Cb -0.16 -3.70 0.11 0.00 -0.40 0.00 0.00 41.96 37.81 2wr3 s TYR 183 CO 0.10 -0.99 1.10 -2.14 -1.57 0.00 0.00 175.55 172.04 2wr3 s PRO 184 N 1.03 1.55 0.28 -1.71 0.02 -1.26 -0.44 135.00 134.47 2wr3 s PRO 184 Ca 0.09 1.12 0.13 0.00 0.02 0.00 0.00 61.00 62.36 2wr3 s PRO 184 Cb -0.23 -1.82 0.31 0.00 0.02 0.00 0.00 34.50 32.78 2wr3 s PRO 184 CO -0.02 -2.12 1.56 -0.97 -0.33 0.00 0.00 177.00 175.12 2wr3 h ASN 185 N -1.48 0.00 -5.28 2.53 -1.24 -1.81 -3.22 115.58 105.08 2wr3 h ASN 185 Ca -0.46 0.00 0.24 0.00 0.71 0.00 0.00 56.30 56.79 2wr3 h ASN 185 Cb 1.26 0.00 -0.12 0.00 0.73 0.00 0.00 38.32 40.19 2wr3 h ASN 185 CO 0.50 0.60 0.67 1.51 -1.29 0.00 0.00 177.43 179.42 2wr3 s ASP 186 N -6.63 -0.14 0.46 1.15 3.84 -1.26 -3.75 116.67 110.33 2wr3 s ASP 186 Ca 0.00 -0.19 0.20 0.00 -0.00 0.00 0.00 52.55 52.56 2wr3 s ASP 186 Cb 0.11 0.29 1.17 0.00 -1.38 0.00 0.00 42.92 43.12 2wr3 s ASP 186 CO 0.75 -0.53 1.92 0.44 -0.00 0.00 0.00 175.17 177.75 2wr3 h ASP 187 N 2.00 0.27 -0.10 2.11 3.32 -1.97 -1.12 116.42 120.93 2wr3 h ASP 187 Ca -0.24 0.02 -0.20 0.00 0.02 0.00 0.00 57.03 56.63 2wr3 h ASP 187 Cb 1.21 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 40.74 2wr3 h ASP 187 CO 0.27 0.13 -0.71 0.71 -1.72 0.00 0.00 179.24 177.92 2wr3 h THR 188 N 0.29 1.32 -0.98 0.35 1.35 -2.00 -1.90 112.91 111.34 2wr3 h THR 188 Ca 0.37 -1.97 0.11 0.00 -0.55 0.00 0.00 66.41 64.38 2wr3 h THR 188 Cb 1.05 2.16 -0.08 0.00 -1.73 0.00 0.00 68.15 69.54 2wr3 h THR 188 CO -0.10 0.61 0.62 -0.08 -0.25 0.00 0.00 175.52 176.32 2wr3 h GLU 189 N 0.33 0.96 0.11 4.72 4.81 -1.63 -2.03 114.58 121.85 2wr3 h GLU 189 Ca -0.06 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 2wr3 h GLU 189 Cb 1.35 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.52 2wr3 h GLU 189 CO 0.14 0.64 -0.05 0.37 -0.73 0.00 0.00 179.01 179.38 2wr3 h GLN 190 N 0.99 -0.14 -0.06 1.92 5.75 -1.32 -1.96 115.11 120.29 2wr3 h GLN 190 Ca 0.47 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.97 2wr3 h GLN 190 Cb 0.44 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.02 2wr3 h GLN 190 CO -0.23 -0.01 0.01 0.00 -2.65 0.00 0.00 178.83 175.94 2wr3 h ARG 191 N -0.25 0.09 -0.37 1.69 3.08 -1.03 0.34 114.38 117.95 2wr3 h ARG 191 Ca -0.02 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 2wr3 h ARG 191 Cb 0.20 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 2wr3 h ARG 191 CO 0.03 0.33 0.10 0.00 -1.07 0.00 0.00 179.97 179.35 2wr3 h THR 192 N -0.15 1.17 0.08 2.04 1.03 -1.44 0.22 112.91 115.84 2wr3 h THR 192 Ca 0.02 -0.58 -0.20 0.00 -0.01 0.00 0.00 66.41 65.64 2wr3 h THR 192 Cb 0.28 0.78 0.02 0.00 -1.07 0.00 0.00 68.15 68.16 2wr3 h THR 192 CO 0.00 0.21 -0.83 -0.07 -0.01 0.00 0.00 175.52 174.82 2wr3 h LEU 193 N 0.53 0.59 -1.43 0.00 4.07 -1.19 -3.43 115.31 114.44 2wr3 h LEU 193 Ca 0.12 -0.85 0.00 0.00 0.08 0.00 0.00 57.88 57.24 2wr3 h LEU 193 Cb 0.19 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2wr3 h LEU 193 CO -0.01 1.38 0.00 -1.22 -1.08 0.00 0.00 178.44 177.51 2wr3 n TYR 194 N -4.09 0.00 0.00 1.13 4.02 0.12 -1.48 117.16 116.87 2wr3 n TYR 194 Ca -0.12 -0.15 0.00 0.00 -0.01 0.00 0.00 57.90 57.61 2wr3 n TYR 194 Cb 0.80 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 40.10 2wr3 n TYR 194 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2wr3 n GLN 195 N -0.15 0.00 -0.61 -0.72 1.13 0.75 -4.64 117.38 113.14 2wr3 n GLN 195 Ca 0.00 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.77 2wr3 n GLN 195 Cb 0.29 0.00 0.26 0.00 0.11 0.00 0.00 30.24 30.90 2wr3 n GLN 195 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2wr3 s ASN 196 N -0.57 0.32 0.00 1.08 0.02 -1.26 -4.63 114.94 109.89 2wr3 s ASN 196 Ca 0.00 1.12 0.00 0.00 -1.02 0.00 0.00 52.86 52.96 2wr3 s ASN 196 Cb 0.00 -1.69 0.00 0.00 0.02 0.00 0.00 41.25 39.58 2wr3 s ASN 196 CO 0.00 -4.55 0.00 0.52 0.02 0.00 0.00 177.10 173.09 2wr3 n VAL 197 N -5.11 0.00 0.08 1.60 0.31 -1.26 -4.74 118.33 109.21 2wr3 n VAL 197 Ca 0.08 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.31 2wr3 n VAL 197 Cb 0.57 -0.03 0.08 0.00 -0.91 0.00 0.00 33.84 33.55 2wr3 n VAL 197 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wr3 n GLY 198 N 0.62 3.02 3.61 2.92 0.00 -1.26 -4.99 105.19 109.11 2wr3 n GLY 198 Ca 0.00 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 2wr3 n GLY 198 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wr3 s THR 199 N -1.38 2.21 0.11 2.61 -4.23 -1.26 -5.05 115.64 108.65 2wr3 s THR 199 Ca 0.24 0.07 -0.25 0.00 -1.18 0.00 0.00 61.69 60.56 2wr3 s THR 199 Cb 0.20 -2.28 0.08 0.00 1.34 0.00 0.00 72.50 71.84 2wr3 s THR 199 CO 0.05 -0.09 0.76 -0.72 -0.54 0.00 0.00 174.62 174.08 2wr3 s TYR 200 N -2.68 -0.38 -0.07 3.99 -0.85 -1.26 -4.46 117.35 111.65 2wr3 s TYR 200 Ca 0.66 0.15 0.03 0.00 -0.52 0.00 0.00 57.07 57.40 2wr3 s TYR 200 Cb -0.22 0.58 0.01 0.00 0.38 0.00 0.00 41.96 42.71 2wr3 s TYR 200 CO 0.61 -0.78 -0.15 0.08 -1.52 0.00 0.00 175.55 173.78 2wr3 s VAL 201 N -3.49 1.39 -0.12 -3.49 1.01 -0.47 -1.82 120.40 113.42 2wr3 s VAL 201 Ca 0.05 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.43 2wr3 s VAL 201 Cb -0.02 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 35.12 2wr3 s VAL 201 CO -0.07 0.41 -0.22 -0.55 0.00 0.00 0.00 175.10 174.67 2wr3 s SER 202 N 0.57 3.18 -0.05 3.32 0.15 0.35 -0.97 113.70 120.26 2wr3 s SER 202 Ca -0.16 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 55.94 2wr3 s SER 202 Cb -0.16 -1.44 0.03 0.00 -1.71 0.00 0.00 66.02 62.73 2wr3 s SER 202 CO 0.05 0.13 -0.01 -0.69 1.20 0.00 0.00 173.24 173.92 2wr3 s VAL 203 N 0.50 0.35 -0.04 4.45 1.01 0.11 -0.65 120.40 126.12 2wr3 s VAL 203 Ca -0.14 0.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 2wr3 s VAL 203 Cb -0.17 -0.45 0.02 0.00 0.00 0.00 0.00 36.38 35.78 2wr3 s VAL 203 CO 0.05 0.21 0.10 -0.83 0.00 0.00 0.00 175.10 174.63 2wr3 s GLY 204 N 1.28 -0.05 0.00 4.51 0.00 -0.80 -0.68 107.32 111.59 2wr3 s GLY 204 Ca -0.06 0.37 0.00 0.00 0.00 0.00 0.00 44.72 45.03 2wr3 s GLY 204 CO -0.02 0.43 0.00 -1.30 0.00 0.00 0.00 173.10 172.21 2wr3 n THR 205 N 3.36 0.00 -0.18 0.90 -2.24 0.72 -0.79 114.28 116.06 2wr3 n THR 205 Ca -0.16 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.60 2wr3 n THR 205 Cb 0.57 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.87 2wr3 n THR 205 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2wr3 h SER 206 N 0.00 -0.36 0.00 3.42 0.02 -1.99 -3.33 113.55 111.31 2wr3 h SER 206 Ca 0.00 0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2wr3 h SER 206 Cb 0.00 0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 2wr3 h SER 206 CO 0.00 -0.13 -1.28 0.35 -1.14 0.00 0.00 176.83 174.62 2wr3 n THR 207 N -5.31 0.01 -3.37 -2.27 -2.24 -1.26 -4.98 114.28 94.86 2wr3 n THR 207 Ca 0.06 -0.14 -0.38 0.00 -2.27 0.00 0.00 64.05 61.32 2wr3 n THR 207 Cb 0.30 0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 68.80 2wr3 n THR 207 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2wr3 s LEU 208 N -3.45 4.37 -0.20 3.22 2.96 -1.25 -5.06 118.68 119.27 2wr3 s LEU 208 Ca -0.02 0.91 -0.04 0.00 -0.22 0.00 0.00 54.13 54.76 2wr3 s LEU 208 Cb 0.04 -2.68 0.10 0.00 0.50 0.00 0.00 46.19 44.14 2wr3 s LEU 208 CO 0.25 0.14 0.26 0.21 -1.32 0.00 0.00 176.35 175.88 2wr3 s ASN 209 N -0.11 0.99 -0.13 3.68 2.47 -1.26 -0.20 114.94 120.39 2wr3 s ASN 209 Ca 0.25 0.00 -0.11 0.00 0.42 0.00 0.00 52.86 53.43 2wr3 s ASN 209 Cb -0.16 0.57 0.04 0.00 -1.45 0.00 0.00 41.25 40.24 2wr3 s ASN 209 CO 0.12 -0.31 0.34 -0.75 -3.72 0.00 0.00 177.10 172.78 2wr3 s LYS 210 N 2.38 0.38 -0.13 0.43 2.20 0.15 -5.02 119.74 120.13 2wr3 s LYS 210 Ca 0.07 0.50 -0.02 0.00 -0.36 0.00 0.00 55.97 56.16 2wr3 s LYS 210 Cb -0.15 0.15 0.04 0.00 -1.51 0.00 0.00 37.83 36.36 2wr3 s LYS 210 CO -0.12 -0.06 -0.00 0.50 -0.36 0.00 0.00 175.35 175.30 2wr3 s ARG 211 N 0.35 0.85 -0.09 4.03 3.52 -1.26 -0.71 118.95 125.63 2wr3 s ARG 211 Ca -0.01 -0.21 -0.01 0.00 -0.13 0.00 0.00 55.73 55.37 2wr3 s ARG 211 Cb -0.03 -1.59 -0.03 0.00 -1.56 0.00 0.00 34.95 31.74 2wr3 s ARG 211 CO -0.01 -0.44 -0.05 -1.12 -0.81 0.00 0.00 175.30 172.87 2wr3 s SER 212 N 1.85 4.76 -0.10 -2.12 0.01 -0.14 -4.97 113.70 112.99 2wr3 s SER 212 Ca 0.02 -0.03 0.02 0.00 1.31 0.00 0.00 55.95 57.28 2wr3 s SER 212 Cb -0.14 -1.36 -0.01 0.00 0.21 0.00 0.00 66.02 64.71 2wr3 s SER 212 CO -0.07 0.32 -0.18 0.27 0.41 0.00 0.00 173.24 174.00 2wr3 s ILE 213 N -0.54 2.68 0.54 1.44 -0.00 -1.26 -1.37 121.20 122.69 2wr3 s ILE 213 Ca 0.08 -0.81 -0.22 0.00 -0.00 0.00 0.00 60.65 59.70 2wr3 s ILE 213 Cb -0.12 -2.07 -0.05 0.00 -0.00 0.00 0.00 42.46 40.22 2wr3 s ILE 213 CO 0.02 0.55 1.33 -2.84 -0.00 0.00 0.00 174.94 174.00 2wr3 s PRO 214 N 0.10 3.16 -0.40 0.37 0.02 -1.26 -5.01 135.00 131.99 2wr3 s PRO 214 Ca -0.08 2.17 -0.02 0.00 0.02 0.00 0.00 61.00 63.09 2wr3 s PRO 214 Cb -0.15 -2.24 0.11 0.00 0.02 0.00 0.00 34.50 32.24 2wr3 s PRO 214 CO 0.05 -1.15 0.18 -1.21 -0.33 0.00 0.00 177.00 174.54 2wr3 s GLU 215 N -2.93 1.95 0.10 5.54 2.02 -1.26 -5.07 118.70 119.05 2wr3 s GLU 215 Ca 0.72 -1.81 -0.31 0.00 0.02 0.00 0.00 54.97 53.59 2wr3 s GLU 215 Cb -0.39 -3.52 -0.07 0.00 0.10 0.00 0.00 34.13 30.25 2wr3 s GLU 215 CO 0.46 -1.04 1.32 0.42 0.02 0.00 0.00 175.26 176.44 2wr3 s ILE 216 N 1.11 3.54 -0.26 -1.63 1.09 -1.26 -4.38 121.20 119.41 2wr3 s ILE 216 Ca 0.08 1.11 -0.28 0.00 -1.10 0.00 0.00 60.65 60.47 2wr3 s ILE 216 Cb -0.22 -3.71 0.16 0.00 -1.06 0.00 0.00 42.46 37.63 2wr3 s ILE 216 CO -0.05 0.09 1.23 0.00 -0.10 0.00 0.00 174.94 176.11 2wr3 s ALA 217 N 1.05 -2.07 0.10 9.38 0.00 -1.21 -4.99 121.76 124.02 2wr3 s ALA 217 Ca 0.62 1.76 -0.31 0.00 0.00 0.00 0.00 51.96 54.03 2wr3 s ALA 217 Cb -0.34 -1.37 -0.09 0.00 0.00 0.00 0.00 23.12 21.32 2wr3 s ALA 217 CO 0.30 -0.22 1.66 0.99 0.00 0.00 0.00 175.76 178.49 2wr3 s THR 218 N -0.54 2.85 0.07 0.00 2.01 -1.25 -4.61 115.64 114.17 2wr3 s THR 218 Ca 0.05 0.41 0.01 0.00 0.31 0.00 0.00 61.69 62.47 2wr3 s THR 218 Cb -0.03 -3.26 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 2wr3 s THR 218 CO -0.07 0.01 -0.06 -0.13 -0.69 0.00 0.00 174.62 173.68 2wr3 s ARG 219 N 2.24 0.67 0.81 4.92 0.52 -1.26 -5.14 118.95 121.71 2wr3 s ARG 219 Ca 0.74 -1.11 -0.14 0.00 -0.52 0.00 0.00 55.73 54.70 2wr3 s ARG 219 Cb -0.42 -0.13 0.04 0.00 0.52 0.00 0.00 34.95 34.96 2wr3 s ARG 219 CO 0.32 -0.02 0.87 -2.30 0.02 0.00 0.00 175.30 174.19 2wr3 n PRO 220 N 0.50 0.13 -3.23 3.54 -0.02 -1.26 -4.67 135.00 129.99 2wr3 n PRO 220 Ca -0.16 0.11 -0.38 0.00 -2.02 0.00 0.00 63.50 61.05 2wr3 n PRO 220 Cb 0.59 -2.16 -0.06 0.00 -0.02 0.00 0.00 33.50 31.85 2wr3 n PRO 220 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2wr3 s LYS 221 N -3.64 4.22 -0.06 -0.52 1.02 -1.26 -4.51 119.74 114.98 2wr3 s LYS 221 Ca 0.68 0.77 -0.01 0.00 0.02 0.00 0.00 55.97 57.43 2wr3 s LYS 221 Cb -0.29 -3.15 0.03 0.00 -0.52 0.00 0.00 37.83 33.90 2wr3 s LYS 221 CO 0.56 0.58 -0.01 0.08 -0.92 0.00 0.00 175.35 175.64 2wr3 s VAL 222 N -1.22 0.41 -1.46 3.17 1.01 -0.37 -4.66 120.40 117.28 2wr3 s VAL 222 Ca 0.33 0.07 -0.06 0.00 0.00 0.00 0.00 61.98 62.31 2wr3 s VAL 222 Cb -0.19 -0.54 0.04 0.00 0.00 0.00 0.00 36.38 35.70 2wr3 s VAL 222 CO 0.20 0.25 0.68 0.59 0.00 0.00 0.00 175.10 176.82 2wr3 n ASN 223 N 4.88 -2.04 -1.53 3.32 3.02 -1.26 -1.42 115.26 120.23 2wr3 n ASN 223 Ca -0.12 -0.90 -0.18 0.00 -0.03 0.00 0.00 54.58 53.35 2wr3 n ASN 223 Cb 0.50 -3.47 -0.07 0.00 -0.61 0.00 0.00 39.78 36.13 2wr3 n ASN 223 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wr3 n GLY 224 N -1.72 1.65 3.28 7.41 0.00 -1.26 -4.64 105.19 109.91 2wr3 n GLY 224 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 2wr3 n GLY 224 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wr3 s GLN 225 N -3.53 2.93 -0.03 1.61 -1.52 -0.50 -4.98 119.66 113.63 2wr3 s GLN 225 Ca 0.00 -0.84 0.07 0.00 -1.95 0.00 0.00 55.36 52.65 2wr3 s GLN 225 Cb 0.00 -2.33 -0.24 0.00 -0.22 0.00 0.00 33.01 30.22 2wr3 s GLN 225 CO 0.00 0.28 0.72 0.78 -0.25 0.00 0.00 175.29 176.82 2wr3 h GLY 226 N 6.41 0.08 -1.11 3.09 0.00 -1.83 -0.97 103.07 108.74 2wr3 h GLY 226 Ca -0.26 -0.21 -0.46 0.00 0.00 0.00 0.00 47.33 46.40 2wr3 h GLY 226 CO 0.49 0.18 0.09 -0.32 0.00 0.00 0.00 176.54 176.98 2wr3 s GLY 227 N -5.11 1.58 0.02 4.60 0.00 -1.26 -4.50 107.32 102.65 2wr3 s GLY 227 Ca -0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 44.72 44.61 2wr3 s GLY 227 CO 0.82 0.62 0.02 0.50 0.00 0.00 0.00 173.10 175.06 2wr3 s ARG 228 N -4.59 0.40 -0.11 2.90 1.81 0.41 -4.66 118.95 115.10 2wr3 s ARG 228 Ca 0.67 -0.62 0.02 0.00 -1.72 0.00 0.00 55.73 54.08 2wr3 s ARG 228 Cb -0.23 0.15 0.01 0.00 -0.45 0.00 0.00 34.95 34.43 2wr3 s ARG 228 CO 0.62 -0.08 -0.16 -1.64 -0.68 0.00 0.00 175.30 173.36 2wr3 s MET 229 N -1.72 2.29 -0.27 3.54 -1.94 0.03 0.02 119.30 121.24 2wr3 s MET 229 Ca -0.13 -0.58 -0.07 0.00 -1.71 0.00 0.00 55.69 53.19 2wr3 s MET 229 Cb -0.07 -1.95 -0.01 0.00 2.01 0.00 0.00 34.83 34.81 2wr3 s MET 229 CO -0.01 -0.07 0.08 -2.00 -0.01 0.00 0.00 175.02 173.01 2wr3 s GLU 230 N 1.01 3.40 -0.12 2.03 2.12 -0.73 -1.77 118.70 124.65 2wr3 s GLU 230 Ca -0.06 -0.65 -0.07 0.00 0.36 0.00 0.00 54.97 54.56 2wr3 s GLU 230 Cb -0.15 -3.37 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 2wr3 s GLU 230 CO -0.02 -0.31 0.13 -0.06 -0.54 0.00 0.00 175.26 174.45 2wr3 s PHE 231 N 1.57 3.55 0.21 5.30 0.40 -0.79 -1.55 117.98 126.67 2wr3 s PHE 231 Ca 0.05 0.49 0.06 0.00 -0.60 0.00 0.00 56.93 56.93 2wr3 s PHE 231 Cb -0.16 -1.93 -0.05 0.00 0.51 0.00 0.00 43.02 41.39 2wr3 s PHE 231 CO 0.03 0.70 -0.10 -1.12 0.70 0.00 0.00 175.22 175.44 2wr3 s SER 232 N -0.98 2.34 0.07 1.36 0.01 0.61 -0.90 113.70 116.20 2wr3 s SER 232 Ca 0.15 -1.09 -0.00 0.00 1.31 0.00 0.00 55.95 56.32 2wr3 s SER 232 Cb -0.12 -0.09 -0.04 0.00 0.21 0.00 0.00 66.02 65.98 2wr3 s SER 232 CO 0.04 -0.29 -0.03 -1.66 0.41 0.00 0.00 173.24 171.70 2wr3 s TRP 233 N -3.12 0.62 0.09 2.43 1.48 -1.26 -1.42 118.94 117.76 2wr3 s TRP 233 Ca 0.24 -1.05 -0.09 0.00 -1.06 0.00 0.00 56.10 54.13 2wr3 s TRP 233 Cb 0.02 -0.42 0.00 0.00 -1.16 0.00 0.00 33.47 31.91 2wr3 s TRP 233 CO 0.07 -0.35 0.21 -0.08 -4.06 0.00 0.00 176.95 172.74 2wr3 s THR 234 N -3.87 0.14 -0.31 0.66 -1.32 -0.43 -4.99 115.64 105.52 2wr3 s THR 234 Ca 0.09 -1.12 -0.12 0.00 -1.21 0.00 0.00 61.69 59.34 2wr3 s THR 234 Cb 0.07 -1.31 -0.03 0.00 -1.51 0.00 0.00 72.50 69.72 2wr3 s THR 234 CO -0.08 -0.62 0.20 -0.76 -2.21 0.00 0.00 174.62 171.16 2wr3 s LEU 235 N -2.83 4.24 -0.35 9.08 1.43 -1.26 -0.83 118.68 128.15 2wr3 s LEU 235 Ca 0.04 -0.26 -0.22 0.00 -1.03 0.00 0.00 54.13 52.66 2wr3 s LEU 235 Cb 0.04 -2.11 0.01 0.00 0.03 0.00 0.00 46.19 44.16 2wr3 s LEU 235 CO -0.11 -0.15 0.71 -0.22 0.23 0.00 0.00 176.35 176.81 2wr3 s LEU 236 N 1.72 4.19 0.83 1.79 2.96 0.24 -4.88 118.68 125.53 2wr3 s LEU 236 Ca 0.06 0.28 -0.11 0.00 -0.22 0.00 0.00 54.13 54.14 2wr3 s LEU 236 Cb -0.17 -2.91 0.09 0.00 0.50 0.00 0.00 46.19 43.70 2wr3 s LEU 236 CO 0.10 -0.65 1.09 -1.61 -1.32 0.00 0.00 176.35 173.96 2wr3 s GLU 237 N 2.89 1.83 0.40 1.98 8.01 -1.26 -0.88 118.70 131.67 2wr3 s GLU 237 Ca 0.28 1.03 -0.26 0.00 0.01 0.00 0.00 54.97 56.03 2wr3 s GLU 237 Cb -0.14 -1.86 -0.09 0.00 -4.31 0.00 0.00 34.13 27.74 2wr3 s GLU 237 CO 0.15 -1.90 1.25 0.95 0.01 0.00 0.00 175.26 175.72 2wr3 s THR 238 N -2.91 2.85 0.00 3.63 -4.23 -1.26 -2.04 115.64 111.67 2wr3 s THR 238 Ca 0.62 0.74 0.00 0.00 -1.18 0.00 0.00 61.69 61.88 2wr3 s THR 238 Cb -0.18 -3.43 0.00 0.00 1.34 0.00 0.00 72.50 70.23 2wr3 s THR 238 CO 0.56 0.10 0.00 0.79 -0.54 0.00 0.00 174.62 175.53 2wr3 n TRP 239 N 0.15 0.00 -2.84 3.99 7.02 0.21 -4.96 117.44 121.01 2wr3 n TRP 239 Ca 0.04 0.00 -0.26 0.00 -1.02 0.00 0.00 57.50 56.25 2wr3 n TRP 239 Cb 0.45 -1.86 -0.00 0.00 -2.42 0.00 0.00 31.31 27.48 2wr3 n TRP 239 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 2wr3 s ASP 240 N -2.00 6.24 0.10 -0.99 3.68 -0.86 -4.77 116.67 118.05 2wr3 s ASP 240 Ca 0.00 0.77 0.09 0.00 2.13 0.00 0.00 52.55 55.54 2wr3 s ASP 240 Cb 0.00 -2.15 -0.03 0.00 -1.45 0.00 0.00 42.92 39.28 2wr3 s ASP 240 CO 0.00 -0.52 -0.23 0.54 0.13 0.00 0.00 175.17 175.09 2wr3 s VAL 241 N -2.63 1.87 -0.10 1.11 0.11 -1.26 -0.06 120.40 119.44 2wr3 s VAL 241 Ca 0.46 -1.55 -0.00 0.00 -2.93 0.00 0.00 61.98 57.96 2wr3 s VAL 241 Cb -0.10 -1.67 -0.03 0.00 -1.53 0.00 0.00 36.38 33.05 2wr3 s VAL 241 CO 0.42 0.03 -0.08 -0.51 -3.33 0.00 0.00 175.10 171.63 2wr3 s ILE 242 N -1.07 3.55 -0.21 7.04 2.07 -0.21 -4.31 121.20 128.06 2wr3 s ILE 242 Ca 0.09 -0.52 -0.01 0.00 -1.41 0.00 0.00 60.65 58.80 2wr3 s ILE 242 Cb -0.10 -2.47 0.01 0.00 0.13 0.00 0.00 42.46 40.03 2wr3 s ILE 242 CO 0.04 0.56 -0.12 0.20 -1.91 0.00 0.00 174.94 173.71 2wr3 s ASN 243 N -0.32 3.74 -0.12 4.50 0.01 0.03 -1.39 114.94 121.39 2wr3 s ASN 243 Ca 0.04 -0.62 -0.07 0.00 -0.71 0.00 0.00 52.86 51.50 2wr3 s ASN 243 Cb -0.13 -1.60 -0.04 0.00 0.41 0.00 0.00 41.25 39.90 2wr3 s ASN 243 CO 0.02 -0.03 0.15 -0.36 -1.51 0.00 0.00 177.10 175.37 2wr3 s PHE 244 N 1.35 3.59 -0.06 2.20 0.40 0.57 -1.91 117.98 124.13 2wr3 s PHE 244 Ca 0.04 0.53 -0.02 0.00 -0.60 0.00 0.00 56.93 56.88 2wr3 s PHE 244 Cb -0.14 -1.96 0.04 0.00 0.51 0.00 0.00 43.02 41.46 2wr3 s PHE 244 CO -0.08 0.71 0.13 -2.00 0.70 0.00 0.00 175.22 174.68 2wr3 s GLU 245 N -0.95 0.07 -0.03 0.44 2.12 0.17 -2.31 118.70 118.21 2wr3 s GLU 245 Ca 0.15 0.36 -0.07 0.00 0.36 0.00 0.00 54.97 55.77 2wr3 s GLU 245 Cb -0.12 -0.20 0.01 0.00 0.26 0.00 0.00 34.13 34.08 2wr3 s GLU 245 CO 0.04 -0.18 0.16 0.45 -0.54 0.00 0.00 175.26 175.19 2wr3 s SER 246 N 1.24 -0.09 0.00 -1.70 0.15 0.16 0.13 113.70 113.59 2wr3 s SER 246 Ca -0.08 0.10 0.15 0.00 0.70 0.00 0.00 55.95 56.81 2wr3 s SER 246 Cb -0.12 0.29 0.39 0.00 -1.71 0.00 0.00 66.02 64.87 2wr3 s SER 246 CO -0.06 -0.21 1.31 0.35 1.20 0.00 0.00 173.24 175.84 2wr3 n THR 247 N 2.27 0.86 0.00 6.45 -2.24 -0.76 -0.83 114.28 120.04 2wr3 n THR 247 Ca -0.17 -0.93 0.00 0.00 -2.27 0.00 0.00 64.05 60.68 2wr3 n THR 247 Cb 0.57 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 2wr3 n THR 247 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr3 n GLY 248 N 0.92 4.04 2.07 3.38 0.00 -1.26 -4.77 105.19 109.57 2wr3 n GLY 248 Ca 0.15 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2wr3 n GLY 248 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wr3 n ASN 249 N 0.00 -3.05 -4.67 1.61 3.02 -1.26 -4.18 115.26 106.73 2wr3 n ASN 249 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 2wr3 n ASN 249 Cb 0.00 -0.61 -0.03 0.00 -0.61 0.00 0.00 39.78 38.53 2wr3 n ASN 249 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2wr3 s LEU 250 N 0.00 4.16 -0.47 3.41 2.96 -1.26 -0.02 118.68 127.46 2wr3 s LEU 250 Ca 0.00 1.30 -0.16 0.00 -0.22 0.00 0.00 54.13 55.05 2wr3 s LEU 250 Cb 0.00 -3.38 0.07 0.00 0.50 0.00 0.00 46.19 43.38 2wr3 s LEU 250 CO 0.00 -0.49 0.41 -0.63 -1.32 0.00 0.00 176.35 174.32 2wr3 s ILE 251 N 2.44 5.21 0.32 6.68 -1.09 0.22 -3.34 121.20 131.63 2wr3 s ILE 251 Ca 0.42 -0.99 -0.15 0.00 -2.23 0.00 0.00 60.65 57.70 2wr3 s ILE 251 Cb -0.16 -4.13 -0.09 0.00 -1.58 0.00 0.00 42.46 36.50 2wr3 s ILE 251 CO 0.12 -0.58 0.73 0.00 -1.23 0.00 0.00 174.94 173.98 2wr3 s ALA 252 N 1.73 3.33 0.53 9.38 0.00 -0.35 -0.04 121.76 136.33 2wr3 s ALA 252 Ca 0.05 0.04 -0.17 0.00 0.00 0.00 0.00 51.96 51.88 2wr3 s ALA 252 Cb -0.23 -2.76 -0.07 0.00 0.00 0.00 0.00 23.12 20.05 2wr3 s ALA 252 CO 0.07 0.34 1.01 -1.25 0.00 0.00 0.00 175.76 175.93 2wr3 s PRO 253 N -2.96 3.75 -0.08 0.00 0.05 -1.25 0.09 135.00 134.60 2wr3 s PRO 253 Ca 0.54 1.09 0.11 0.00 0.05 0.00 0.00 61.00 62.79 2wr3 s PRO 253 Cb -0.10 -2.10 -0.16 0.00 0.05 0.00 0.00 34.50 32.19 2wr3 s PRO 253 CO 0.17 -0.44 0.12 -1.91 0.05 0.00 0.00 177.00 174.99 2wr3 n GLU 254 N -1.58 1.54 -4.43 4.56 2.13 -0.78 -4.65 120.64 117.42 2wr3 n GLU 254 Ca 0.08 -0.04 -0.26 0.00 0.66 0.00 0.00 57.16 57.59 2wr3 n GLU 254 Cb 0.53 -1.30 -0.11 0.00 0.27 0.00 0.00 31.44 30.83 2wr3 n GLU 254 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2wr3 s TYR 255 N -2.47 2.28 0.23 4.31 1.51 -1.24 -1.16 117.35 120.79 2wr3 s TYR 255 Ca -0.05 -0.36 0.05 0.00 -1.01 0.00 0.00 57.07 55.70 2wr3 s TYR 255 Cb 0.05 -1.10 -0.05 0.00 -0.11 0.00 0.00 41.96 40.75 2wr3 s TYR 255 CO 0.49 0.54 -0.05 0.20 -1.11 0.00 0.00 175.55 175.62 2wr3 s GLY 256 N -2.86 1.54 -0.29 0.71 0.00 0.02 -4.70 107.32 101.74 2wr3 s GLY 256 Ca 0.23 -1.75 0.02 0.00 0.00 0.00 0.00 44.72 43.22 2wr3 s GLY 256 CO 0.11 -1.71 -0.05 -1.36 0.00 0.00 0.00 173.10 170.09 2wr3 s PHE 257 N -3.26 3.37 0.01 1.90 0.40 -0.49 -0.34 117.98 119.58 2wr3 s PHE 257 Ca 0.26 -2.39 -0.33 0.00 -0.60 0.00 0.00 56.93 53.87 2wr3 s PHE 257 Cb 0.04 -2.18 -0.11 0.00 0.51 0.00 0.00 43.02 41.27 2wr3 s PHE 257 CO 0.08 -0.88 1.86 1.63 0.70 0.00 0.00 175.22 178.60 2wr3 n LYS 258 N 4.43 2.44 -4.13 0.44 5.02 -0.29 -0.64 118.16 125.44 2wr3 n LYS 258 Ca -0.10 0.89 -0.18 0.00 -2.02 0.00 0.00 58.31 56.90 2wr3 n LYS 258 Cb 0.42 -2.76 -0.16 0.00 -0.02 0.00 0.00 35.03 32.51 2wr3 n LYS 258 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2wr3 s ILE 259 N 3.51 0.43 -0.06 -0.18 2.07 -0.50 -1.02 121.20 125.45 2wr3 s ILE 259 Ca 0.88 -0.12 0.05 0.00 -1.41 0.00 0.00 60.65 60.05 2wr3 s ILE 259 Cb -0.59 -0.44 -0.00 0.00 0.13 0.00 0.00 42.46 41.55 2wr3 s ILE 259 CO 0.45 0.18 -0.21 -0.44 -1.91 0.00 0.00 174.94 173.01 2wr3 s SER 260 N 0.60 2.63 -0.14 4.50 0.01 -0.88 -4.13 113.70 116.28 2wr3 s SER 260 Ca -0.07 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.75 2wr3 s SER 260 Cb -0.11 -0.82 0.03 0.00 0.21 0.00 0.00 66.02 65.33 2wr3 s SER 260 CO -0.00 0.18 -0.11 -0.54 0.41 0.00 0.00 173.24 173.18 2wr3 s LYS 261 N 0.04 1.98 0.00 12.44 1.02 -1.26 -1.08 119.74 132.87 2wr3 s LYS 261 Ca -0.07 -0.50 -0.01 0.00 0.02 0.00 0.00 55.97 55.42 2wr3 s LYS 261 Cb -0.14 -1.98 -0.00 0.00 -0.52 0.00 0.00 37.83 35.19 2wr3 s LYS 261 CO 0.04 -0.28 0.78 0.07 -0.92 0.00 0.00 175.35 175.03 2wr3 h ARG 262 N 8.09 -0.03 0.00 1.68 -0.00 -1.93 -3.48 114.38 118.70 2wr3 h ARG 262 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.65 2wr3 h ARG 262 Cb 1.13 0.01 0.00 0.00 -0.00 0.00 0.00 29.97 31.11 2wr3 h ARG 262 CO 0.48 -0.02 0.00 0.41 -0.00 0.00 0.00 179.97 180.84 2wr3 n GLY 263 N -0.31 5.38 3.24 0.08 0.00 -1.26 -5.13 105.19 107.20 2wr3 n GLY 263 Ca -0.00 -1.30 -0.14 0.00 0.00 0.00 0.00 46.02 44.58 2wr3 n GLY 263 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wr3 s SER 264 N 1.00 1.54 0.00 1.61 0.15 -1.26 -4.69 113.70 112.05 2wr3 s SER 264 Ca 0.00 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 55.58 2wr3 s SER 264 Cb 0.00 0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 2wr3 s SER 264 CO 0.00 -0.43 0.00 -0.24 1.20 0.00 0.00 173.24 173.77 2wr3 n SER 265 N -0.20 0.37 -3.72 5.45 2.88 -1.26 -4.90 113.62 112.23 2wr3 n SER 265 Ca -0.09 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.35 2wr3 n SER 265 Cb 0.62 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.04 2wr3 n SER 265 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2wr3 s GLY 266 N 0.00 -0.13 -0.19 0.46 0.00 -1.26 -4.70 107.32 101.50 2wr3 s GLY 266 Ca 0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 44.72 44.48 2wr3 s GLY 266 CO 0.00 -0.22 0.04 -0.42 0.00 0.00 0.00 173.10 172.50 2wr3 s ILE 267 N -3.87 4.47 -0.28 0.90 1.01 -1.26 -2.37 121.20 119.81 2wr3 s ILE 267 Ca 0.09 -0.14 -0.09 0.00 0.00 0.00 0.00 60.65 60.51 2wr3 s ILE 267 Cb -0.01 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.41 2wr3 s ILE 267 CO -0.03 0.44 0.13 -0.32 0.00 0.00 0.00 174.94 175.16 2wr3 s MET 268 N 0.61 3.63 -0.40 2.79 -2.45 0.14 -4.86 119.30 118.76 2wr3 s MET 268 Ca 0.02 -0.51 -0.20 0.00 -1.25 0.00 0.00 55.69 53.75 2wr3 s MET 268 Cb -0.13 -3.49 0.01 0.00 1.25 0.00 0.00 34.83 32.47 2wr3 s MET 268 CO 0.02 -0.26 0.60 0.15 1.05 0.00 0.00 175.02 176.58 2wr3 s LYS 269 N 1.65 3.42 0.23 4.11 3.01 -1.25 -2.12 119.74 128.79 2wr3 s LYS 269 Ca 0.06 -0.26 -0.22 0.00 -1.01 0.00 0.00 55.97 54.54 2wr3 s LYS 269 Cb -0.16 -3.89 0.04 0.00 -1.01 0.00 0.00 37.83 32.81 2wr3 s LYS 269 CO 0.06 -0.87 0.72 -0.08 0.51 0.00 0.00 175.35 175.69 2wr3 s THR 270 N 2.67 0.00 -0.12 2.17 -1.32 -0.93 -4.88 115.64 113.23 2wr3 s THR 270 Ca 0.22 -0.70 0.17 0.00 -1.21 0.00 0.00 61.69 60.16 2wr3 s THR 270 Cb -0.15 -1.73 -0.23 0.00 -1.51 0.00 0.00 72.50 68.89 2wr3 s THR 270 CO 0.17 0.00 0.45 -0.62 -2.21 0.00 0.00 174.62 172.41 2wr3 n GLU 271 N -0.44 0.65 -0.58 7.08 -0.58 -1.26 -4.14 120.64 121.37 2wr3 n GLU 271 Ca -0.07 0.11 -0.30 0.00 -0.42 0.00 0.00 57.16 56.48 2wr3 n GLU 271 Cb 0.61 -1.67 0.21 0.00 -0.57 0.00 0.00 31.44 30.02 2wr3 n GLU 271 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2wr3 n LYS 272 N -2.82 -1.67 -4.28 3.49 5.02 -1.26 -5.06 118.16 111.58 2wr3 n LYS 272 Ca -0.20 -0.45 -0.17 0.00 -2.02 0.00 0.00 58.31 55.47 2wr3 n LYS 272 Cb 1.00 -2.11 -0.10 0.00 -0.02 0.00 0.00 35.03 33.79 2wr3 n LYS 272 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wr3 s THR 273 N -2.43 1.46 0.41 -0.18 -4.23 -1.26 -5.04 115.64 104.37 2wr3 s THR 273 Ca 0.65 -1.98 -0.25 0.00 -1.18 0.00 0.00 61.69 58.93 2wr3 s THR 273 Cb -0.22 -1.80 -0.10 0.00 1.34 0.00 0.00 72.50 71.71 2wr3 s THR 273 CO 0.64 -0.55 1.10 -0.11 -0.54 0.00 0.00 174.62 175.16 2wr3 n LEU 274 N 0.03 3.06 0.00 4.79 0.00 -1.26 -4.14 117.00 119.48 2wr3 n LEU 274 Ca -0.11 1.07 0.00 0.00 0.00 0.00 0.00 56.01 56.97 2wr3 n LEU 274 Cb 0.59 -1.40 0.00 0.00 0.00 0.00 0.00 43.42 42.61 2wr3 n LEU 274 CO 0.31 -1.18 0.23 -0.62 0.00 0.00 0.00 177.39 176.13 2wr3 n GLU 275 N 0.14 0.38 -2.48 1.96 1.02 -0.19 -4.93 120.64 116.54 2wr3 n GLU 275 Ca 0.08 -0.53 -0.08 0.00 -0.02 0.00 0.00 57.16 56.62 2wr3 n GLU 275 Cb 0.39 -0.61 0.04 0.00 -0.02 0.00 0.00 31.44 31.24 2wr3 n GLU 275 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2wr3 n ASN 276 N -0.08 -4.49 0.00 1.62 5.15 -1.26 -5.00 115.26 111.20 2wr3 n ASN 276 Ca 0.00 -0.39 0.00 0.00 -0.60 0.00 0.00 54.58 53.59 2wr3 n ASN 276 Cb 0.36 -3.11 0.00 0.00 -0.53 0.00 0.00 39.78 36.50 2wr3 n ASN 276 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wr3 s GLU 278 N 3.08 0.50 0.23 0.00 2.56 -1.26 -3.66 118.70 120.15 2wr3 s GLU 278 Ca 0.00 0.26 -0.22 0.00 0.00 0.00 0.00 54.97 55.01 2wr3 s GLU 278 Cb 0.00 0.24 0.04 0.00 2.00 0.00 0.00 34.13 36.40 2wr3 s GLU 278 CO 0.00 -0.13 0.71 0.95 -0.56 0.00 0.00 175.26 176.23 2wr3 s THR 279 N -0.65 0.00 -0.79 -1.70 -4.23 -0.90 -4.92 115.64 102.45 2wr3 s THR 279 Ca 0.01 -0.68 0.21 0.00 -1.18 0.00 0.00 61.69 60.04 2wr3 s THR 279 Cb -0.02 -1.71 -0.24 0.00 1.34 0.00 0.00 72.50 71.87 2wr3 s THR 279 CO -0.02 0.00 0.79 2.29 -0.54 0.00 0.00 174.62 177.14 2wr3 n LYS 280 N -0.43 0.29 -3.57 3.99 0.00 -1.26 -1.21 118.16 115.96 2wr3 n LYS 280 Ca -0.08 -0.04 -0.17 0.00 -0.00 0.00 0.00 58.31 58.02 2wr3 n LYS 280 Cb 0.61 -1.48 -0.14 0.00 -0.00 0.00 0.00 35.03 34.02 2wr3 n LYS 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wr3 s GLN 282 N 2.33 2.82 0.38 0.00 2.00 -0.15 -1.54 119.66 125.49 2wr3 s GLN 282 Ca 0.05 -0.53 0.04 0.00 -2.00 0.00 0.00 55.36 52.92 2wr3 s GLN 282 Cb -0.14 -2.67 -0.06 0.00 0.80 0.00 0.00 33.01 30.94 2wr3 s GLN 282 CO -0.10 0.66 0.05 0.95 -0.50 0.00 0.00 175.29 176.35 2wr3 s THR 283 N -0.93 1.35 -0.33 -0.34 -4.23 -0.97 -0.55 115.64 109.65 2wr3 s THR 283 Ca 0.15 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 58.93 2wr3 s THR 283 Cb -0.11 -2.75 0.31 0.00 1.34 0.00 0.00 72.50 71.29 2wr3 s THR 283 CO 0.05 0.00 1.80 -0.65 -0.54 0.00 0.00 174.62 175.28 2wr3 h PRO 284 N 1.91 0.00 0.03 3.99 0.11 -1.93 -3.13 132.00 132.98 2wr3 h PRO 284 Ca -0.41 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.39 2wr3 h PRO 284 Cb 1.25 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 2wr3 h PRO 284 CO 0.72 0.00 -1.77 1.28 -0.21 0.00 0.00 178.00 178.02 2wr3 n LEU 285 N -2.58 1.23 0.00 2.35 4.77 -1.26 -4.90 117.00 116.62 2wr3 n LEU 285 Ca 0.02 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 2wr3 n LEU 285 Cb 0.30 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2wr3 n LEU 285 CO 0.25 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 2wr3 n GLY 286 N 1.64 -0.04 3.88 -0.72 0.00 -1.18 -4.06 105.19 104.71 2wr3 n GLY 286 Ca -0.20 -1.18 -0.30 0.00 0.00 0.00 0.00 46.02 44.34 2wr3 n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr3 s ALA 287 N -2.00 3.17 -0.10 4.61 0.00 -1.13 -2.29 121.76 124.02 2wr3 s ALA 287 Ca 0.00 -0.17 0.03 0.00 0.00 0.00 0.00 51.96 51.81 2wr3 s ALA 287 Cb 0.00 -2.96 0.01 0.00 0.00 0.00 0.00 23.12 20.17 2wr3 s ALA 287 CO 0.00 -0.57 -0.18 0.42 0.00 0.00 0.00 175.76 175.43 2wr3 s ILE 288 N -3.03 1.63 -0.26 0.00 1.09 -0.59 -1.45 121.20 118.59 2wr3 s ILE 288 Ca 0.53 -0.74 0.01 0.00 -1.10 0.00 0.00 60.65 59.35 2wr3 s ILE 288 Cb -0.11 -1.45 0.07 0.00 -1.06 0.00 0.00 42.46 39.91 2wr3 s ILE 288 CO 0.50 0.47 -0.03 0.21 -0.10 0.00 0.00 174.94 175.99 2wr3 s ASN 289 N 0.72 4.01 -0.03 3.58 2.47 -1.26 -4.16 114.94 120.28 2wr3 s ASN 289 Ca -0.12 -1.34 -0.29 0.00 0.42 0.00 0.00 52.86 51.53 2wr3 s ASN 289 Cb -0.16 -1.22 0.08 0.00 -1.45 0.00 0.00 41.25 38.50 2wr3 s ASN 289 CO 0.02 -0.27 0.74 0.28 -3.72 0.00 0.00 177.10 174.15 2wr3 s THR 290 N 1.34 0.00 -0.11 -5.21 -1.32 -1.26 -5.01 115.64 104.07 2wr3 s THR 290 Ca -0.03 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.62 2wr3 s THR 290 Cb -0.19 -1.00 -0.15 0.00 -1.51 0.00 0.00 72.50 69.65 2wr3 s THR 290 CO -0.08 0.00 0.80 0.35 -2.21 0.00 0.00 174.62 173.48 2wr3 n THR 291 N 0.55 1.25 -1.52 5.08 -2.24 -1.26 -4.98 114.28 111.16 2wr3 n THR 291 Ca -0.16 -0.71 -0.42 0.00 -2.27 0.00 0.00 64.05 60.49 2wr3 n THR 291 Cb 0.59 -0.78 0.01 0.00 -2.10 0.00 0.00 70.33 68.04 2wr3 n THR 291 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2wr3 n LEU 292 N -2.91 1.00 0.14 3.22 4.77 -1.26 -4.91 117.00 117.05 2wr3 n LEU 292 Ca -0.11 0.98 0.13 0.00 -0.03 0.00 0.00 56.01 56.98 2wr3 n LEU 292 Cb 0.87 -1.20 0.30 0.00 -2.33 0.00 0.00 43.42 41.06 2wr3 n LEU 292 CO 0.43 -2.28 0.80 -0.65 -1.33 0.00 0.00 177.39 174.36 2wr3 h PRO 293 N 1.15 0.00 -4.64 3.23 0.11 -1.86 -3.42 132.00 126.57 2wr3 h PRO 293 Ca -0.41 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.41 2wr3 h PRO 293 Cb 1.38 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.27 2wr3 h PRO 293 CO 0.54 0.00 -0.74 -0.06 -0.21 0.00 0.00 178.00 177.53 2wr3 s PHE 294 N -3.15 0.72 0.17 0.65 0.08 -1.24 -0.21 117.98 115.01 2wr3 s PHE 294 Ca 0.09 -0.47 0.01 0.00 0.12 0.00 0.00 56.93 56.68 2wr3 s PHE 294 Cb 0.10 -0.43 -0.04 0.00 -0.57 0.00 0.00 43.02 42.08 2wr3 s PHE 294 CO 0.64 -0.06 0.03 -3.38 -0.10 0.00 0.00 175.22 172.34 2wr3 s HIS 295 N -1.29 1.16 -0.11 0.36 -3.43 0.85 0.14 115.29 112.96 2wr3 s HIS 295 Ca -0.08 -1.10 0.18 0.00 -0.80 0.00 0.00 55.06 53.26 2wr3 s HIS 295 Cb -0.10 -0.66 0.43 0.00 -1.43 0.00 0.00 32.58 30.82 2wr3 s HIS 295 CO 0.01 -0.31 1.19 0.27 -2.00 0.00 0.00 174.74 173.90 2wr3 n ASN 296 N -0.23 1.46 0.02 7.38 0.23 -1.01 -1.77 115.26 121.33 2wr3 n ASN 296 Ca -0.05 -2.96 -0.18 0.00 -0.53 0.00 0.00 54.58 50.85 2wr3 n ASN 296 Cb 0.64 -0.42 -0.14 0.00 -2.08 0.00 0.00 39.78 37.78 2wr3 n ASN 296 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 2wr3 h ILE 297 N 3.96 1.57 -1.21 1.53 2.04 -1.90 -3.49 117.51 120.00 2wr3 h ILE 297 Ca -0.10 -2.42 0.16 0.00 1.00 0.00 0.00 64.86 63.50 2wr3 h ILE 297 Cb 1.44 3.16 -0.31 0.00 -0.74 0.00 0.00 36.82 40.37 2wr3 h ILE 297 CO 0.07 0.67 0.73 -2.28 0.00 0.00 0.00 178.15 177.35 2wr3 s HIS 298 N -2.50 -0.18 -0.16 1.37 5.04 -1.26 -5.01 115.29 112.58 2wr3 s HIS 298 Ca -0.15 0.43 0.29 0.00 -1.54 0.00 0.00 55.06 54.09 2wr3 s HIS 298 Cb 0.00 0.37 1.06 0.00 0.04 0.00 0.00 32.58 34.06 2wr3 s HIS 298 CO 0.79 -0.09 1.85 -1.00 -2.34 0.00 0.00 174.74 173.96 2wr3 h PRO 299 N 3.93 0.00 -2.26 2.88 0.13 -1.99 -3.37 132.00 131.33 2wr3 h PRO 299 Ca -0.27 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.15 2wr3 h PRO 299 Cb 1.19 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.11 2wr3 h PRO 299 CO 0.18 0.00 1.31 1.28 -0.23 0.00 0.00 178.00 180.54 2wr3 n LEU 300 N -2.89 7.40 -4.87 1.56 4.77 -1.26 -4.87 117.00 116.84 2wr3 n LEU 300 Ca 0.02 -4.82 -0.29 0.00 -0.03 0.00 0.00 56.01 50.89 2wr3 n LEU 300 Cb 0.34 -1.22 0.09 0.00 -2.33 0.00 0.00 43.42 40.30 2wr3 n LEU 300 CO 0.27 1.92 0.77 0.42 -1.33 0.00 0.00 177.39 179.44 2wr3 s THR 301 N -3.00 2.34 -0.03 -5.08 -4.23 -1.26 -4.50 115.64 99.88 2wr3 s THR 301 Ca 0.51 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 61.13 2wr3 s THR 301 Cb 0.28 -3.06 0.03 0.00 1.34 0.00 0.00 72.50 71.09 2wr3 s THR 301 CO -0.20 -0.15 0.01 -0.63 -0.54 0.00 0.00 174.62 173.11 2wr3 s ILE 302 N -3.47 0.16 0.00 2.99 1.01 0.29 -4.16 121.20 118.02 2wr3 s ILE 302 Ca 0.61 0.12 0.00 0.00 0.00 0.00 0.00 60.65 61.39 2wr3 s ILE 302 Cb -0.12 -0.28 0.00 0.00 0.01 0.00 0.00 42.46 42.08 2wr3 s ILE 302 CO 0.51 0.16 0.00 0.61 0.00 0.00 0.00 174.94 176.21 2wr3 n GLY 303 N 4.33 0.15 3.44 6.18 0.00 -0.57 -0.98 105.19 117.74 2wr3 n GLY 303 Ca -0.23 -2.14 -0.44 0.00 0.00 0.00 0.00 46.02 43.21 2wr3 n GLY 303 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wr3 s GLU 304 N 0.00 3.13 0.13 1.61 2.02 0.54 -2.14 118.70 123.99 2wr3 s GLU 304 Ca 0.00 -0.90 0.09 0.00 0.02 0.00 0.00 54.97 54.18 2wr3 s GLU 304 Cb 0.00 -4.16 -0.04 0.00 0.10 0.00 0.00 34.13 30.03 2wr3 s GLU 304 CO 0.00 -1.45 -0.22 0.00 0.02 0.00 0.00 175.26 173.61 2wr3 n PRO 306 N 0.78 -0.90 -2.29 0.00 -0.02 -1.26 -4.92 135.00 126.40 2wr3 n PRO 306 Ca -0.17 -0.22 -0.41 0.00 -2.02 0.00 0.00 63.50 60.68 2wr3 n PRO 306 Cb 0.54 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.91 2wr3 n PRO 306 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2wr3 s LYS 307 N -4.12 4.46 -0.14 -0.52 3.01 0.71 -4.64 119.74 118.50 2wr3 s LYS 307 Ca 0.63 2.00 -0.24 0.00 -1.01 0.00 0.00 55.97 57.35 2wr3 s LYS 307 Cb -0.21 -3.17 -0.03 0.00 -1.01 0.00 0.00 37.83 33.41 2wr3 s LYS 307 CO 0.63 -0.10 0.74 -0.47 0.51 0.00 0.00 175.35 176.67 2wr3 s TYR 308 N -0.50 3.47 0.20 3.18 5.04 -1.26 -0.11 117.35 127.37 2wr3 s TYR 308 Ca 0.51 1.18 0.07 0.00 -2.44 0.00 0.00 57.07 56.39 2wr3 s TYR 308 Cb -0.35 -2.89 -0.05 0.00 0.35 0.00 0.00 41.96 39.02 2wr3 s TYR 308 CO 0.42 -0.10 -0.12 0.14 -1.34 0.00 0.00 175.55 174.55 2wr3 s VAL 309 N 1.59 1.55 -0.08 3.14 -7.23 -0.73 -4.78 120.40 113.86 2wr3 s VAL 309 Ca 0.36 -2.16 -0.25 0.00 -1.81 0.00 0.00 61.98 58.12 2wr3 s VAL 309 Cb -0.17 -2.03 -0.27 0.00 0.56 0.00 0.00 36.38 34.47 2wr3 s VAL 309 CO 0.14 -0.60 0.90 0.11 -0.31 0.00 0.00 175.10 175.34 2wr3 h LYS 310 N 2.59 0.15 0.00 4.82 1.57 -1.89 -3.41 116.57 120.41 2wr3 h LYS 310 Ca -0.38 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 2wr3 h LYS 310 Cb 1.21 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2wr3 h LYS 310 CO 0.63 1.05 0.00 0.45 -0.57 0.00 0.00 179.45 181.01 2wr3 n SER 311 N -4.42 0.00 -0.37 0.86 2.88 -1.26 -4.95 113.62 106.35 2wr3 n SER 311 Ca -0.11 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.45 2wr3 n SER 311 Cb 0.59 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.08 2wr3 n SER 311 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2wr3 n ASP 312 N 0.00 0.52 -3.57 -3.46 5.68 -1.26 -4.78 116.55 109.67 2wr3 n ASP 312 Ca 0.00 -2.15 -0.07 0.00 -0.50 0.00 0.00 54.79 52.07 2wr3 n ASP 312 Cb 0.00 -0.23 -0.08 0.00 -1.14 0.00 0.00 41.12 39.67 2wr3 n ASP 312 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2wr3 s ARG 313 N -0.60 0.37 -0.48 0.11 0.52 -1.26 -5.10 118.95 112.51 2wr3 s ARG 313 Ca 0.06 0.99 0.03 0.00 -0.52 0.00 0.00 55.73 56.29 2wr3 s ARG 313 Cb 0.06 0.26 0.14 0.00 0.52 0.00 0.00 34.95 35.93 2wr3 s ARG 313 CO 0.01 -0.34 0.29 -0.51 0.02 0.00 0.00 175.30 174.77 2wr3 s LEU 314 N 2.65 2.84 -0.28 2.53 1.43 -1.26 -5.05 118.68 121.53 2wr3 s LEU 314 Ca 0.02 -2.87 -0.08 0.00 -1.03 0.00 0.00 54.13 50.17 2wr3 s LEU 314 Cb -0.13 -1.05 -0.01 0.00 0.03 0.00 0.00 46.19 45.04 2wr3 s LEU 314 CO -0.14 -0.23 0.10 -0.69 0.23 0.00 0.00 176.35 175.62 2wr3 s VAL 315 N 0.04 4.29 -0.29 -1.59 1.01 -1.26 -0.23 120.40 122.36 2wr3 s VAL 315 Ca 0.21 -0.40 -0.27 0.00 0.00 0.00 0.00 61.98 61.52 2wr3 s VAL 315 Cb -0.18 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.09 2wr3 s VAL 315 CO -0.05 0.18 0.94 -0.76 0.00 0.00 0.00 175.10 175.41 2wr3 s LEU 316 N 1.58 4.03 0.27 3.92 1.02 0.12 -4.71 118.68 124.91 2wr3 s LEU 316 Ca 0.05 0.96 -0.30 0.00 0.02 0.00 0.00 54.13 54.85 2wr3 s LEU 316 Cb -0.16 -3.34 -0.11 0.00 0.02 0.00 0.00 46.19 42.60 2wr3 s LEU 316 CO 0.04 -0.72 1.54 0.00 0.02 0.00 0.00 176.35 177.24 2wr3 s ALA 317 N 3.25 3.71 0.00 4.21 0.00 -1.26 -0.40 121.76 131.27 2wr3 s ALA 317 Ca 0.39 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.84 2wr3 s ALA 317 Cb -0.14 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.37 2wr3 s ALA 317 CO 0.12 -0.90 0.00 0.25 0.00 0.00 0.00 175.76 175.23 2wr3 n THR 318 N 2.31 0.00 -1.42 0.00 -2.24 -0.81 -4.87 114.28 107.24 2wr3 n THR 318 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2wr3 n THR 318 Cb 0.38 -0.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 2wr3 n THR 318 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr3 n GLY 319 N 2.99 0.95 3.94 3.38 0.00 -0.76 -4.93 105.19 110.76 2wr3 n GLY 319 Ca 0.00 -1.90 -0.21 0.00 0.00 0.00 0.00 46.02 43.91 2wr3 n GLY 319 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2wr3 s LEU 320 N 0.00 3.25 0.13 0.99 2.34 -1.26 -4.67 118.68 119.46 2wr3 s LEU 320 Ca 0.00 -0.80 -0.32 0.00 0.06 0.00 0.00 54.13 53.06 2wr3 s LEU 320 Cb 0.00 -1.91 -0.12 0.00 -0.56 0.00 0.00 46.19 43.60 2wr3 s LEU 320 CO 0.00 -0.90 1.74 -1.14 -1.06 0.00 0.00 176.35 174.99 2wr3 n ARG 321 N -1.79 2.56 -2.87 1.48 0.63 -1.26 -0.37 116.66 115.04 2wr3 n ARG 321 Ca 0.06 0.93 -0.42 0.00 -0.92 0.00 0.00 57.85 57.49 2wr3 n ARG 321 Cb 0.62 -2.77 -0.04 0.00 0.45 0.00 0.00 32.46 30.71 2wr3 n ARG 321 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2wr3 s ASN 322 N 1.96 6.65 -0.58 6.15 2.47 -0.43 -4.77 114.94 126.39 2wr3 s ASN 322 Ca 0.80 0.55 0.05 0.00 0.42 0.00 0.00 52.86 54.68 2wr3 s ASN 322 Cb -0.56 -2.44 0.17 0.00 -1.45 0.00 0.00 41.25 36.97 2wr3 s ASN 322 CO 0.38 -0.77 0.43 0.52 -3.72 0.00 0.00 177.10 173.93 2wr3 n VAL 323 N 5.83 0.38 0.26 -5.21 0.31 -1.26 -4.86 118.33 113.78 2wr3 n VAL 323 Ca 0.05 -4.24 -0.08 0.00 -0.01 0.00 0.00 64.34 60.07 2wr3 n VAL 323 Cb 0.48 -1.95 0.06 0.00 -0.91 0.00 0.00 33.84 31.52 2wr3 n VAL 323 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2wr3 n PRO 324 N 2.33 1.41 -3.97 5.55 -0.02 -1.26 0.09 135.00 139.13 2wr3 n PRO 324 Ca 0.24 -0.98 0.00 0.00 -2.02 0.00 0.00 63.50 60.74 2wr3 n PRO 324 Cb 0.41 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 2wr3 n PRO 324 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wr3 n GLY 330 N -0.03 -0.49 0.25 -1.23 0.00 -1.25 -4.77 105.19 97.66 2wr3 n GLY 330 Ca 0.20 -1.12 0.05 0.00 0.00 0.00 0.00 46.02 45.15 2wr3 n GLY 330 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wr3 h LEU 331 N 0.00 0.12 0.00 0.99 5.85 -1.95 -3.00 115.31 117.32 2wr3 h LEU 331 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2wr3 h LEU 331 Cb 0.00 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.00 2wr3 h LEU 331 CO 0.00 0.22 -0.79 0.49 -0.34 0.00 0.00 178.44 178.02 2wr3 n PHE 332 N -4.38 0.00 -0.92 1.25 3.01 -1.26 -5.01 117.46 110.14 2wr3 n PHE 332 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 2wr3 n PHE 332 Cb 0.19 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.62 2wr3 n PHE 332 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wr3 n GLY 333 N 1.38 0.45 0.03 1.37 0.00 -1.14 -4.96 105.19 102.31 2wr3 n GLY 333 Ca 0.02 -0.82 -0.02 0.00 0.00 0.00 0.00 46.02 45.20 2wr3 n GLY 333 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr3 n ALA 334 N 0.77 0.20 -1.90 4.61 0.00 -1.26 -0.90 120.51 122.03 2wr3 n ALA 334 Ca 0.00 -0.30 -0.42 0.00 0.00 0.00 0.00 53.44 52.73 2wr3 n ALA 334 Cb 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 2wr3 n ALA 334 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wr3 s ILE 335 N -1.49 2.61 -1.11 0.00 1.01 -1.26 -0.50 121.20 120.45 2wr3 s ILE 335 Ca -0.07 0.48 -0.09 0.00 0.00 0.00 0.00 60.65 60.97 2wr3 s ILE 335 Cb 0.01 -3.30 0.08 0.00 0.01 0.00 0.00 42.46 39.26 2wr3 s ILE 335 CO 0.10 0.06 0.37 0.00 0.00 0.00 0.00 174.94 175.47 2wr3 n ALA 336 N 3.02 -1.06 -2.15 9.38 0.00 -1.22 -3.79 120.51 124.69 2wr3 n ALA 336 Ca 0.10 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2wr3 n ALA 336 Cb 0.39 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.66 2wr3 n ALA 336 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wr3 n GLY 337 N -0.99 3.16 0.22 0.00 0.00 0.34 -4.73 105.19 103.19 2wr3 n GLY 337 Ca 0.00 -0.36 0.13 0.00 0.00 0.00 0.00 46.02 45.79 2wr3 n GLY 337 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2wr3 h PHE 338 N 0.00 0.00 -3.26 1.61 -5.15 -0.67 -3.35 116.94 106.12 2wr3 h PHE 338 Ca 0.00 0.00 -0.74 0.00 -0.20 0.00 0.00 57.97 57.03 2wr3 h PHE 338 Cb 0.00 0.00 -0.24 0.00 0.22 0.00 0.00 35.95 35.93 2wr3 h PHE 338 CO 0.00 0.00 -0.32 0.42 -2.00 0.00 0.00 178.31 176.41 2wr3 s ILE 339 N -3.26 5.04 0.34 0.88 1.01 -0.96 -4.13 121.20 120.12 2wr3 s ILE 339 Ca 0.07 -1.28 0.04 0.00 0.00 0.00 0.00 60.65 59.47 2wr3 s ILE 339 Cb 0.06 -4.10 0.18 0.00 0.01 0.00 0.00 42.46 38.61 2wr3 s ILE 339 CO 0.65 -0.67 1.90 1.05 0.00 0.00 0.00 174.94 177.87 2wr3 h GLU 340 N 8.73 0.60 -3.99 2.79 4.11 -1.82 -3.23 114.58 121.77 2wr3 h GLU 340 Ca -0.28 -0.11 -0.18 0.00 0.07 0.00 0.00 59.36 58.87 2wr3 h GLU 340 Cb 1.10 -0.10 -0.09 0.00 0.50 0.00 0.00 28.75 30.16 2wr3 h GLU 340 CO 0.91 0.56 -0.22 0.20 0.07 0.00 0.00 179.01 180.53 2wr3 s GLY 341 N -3.76 1.09 0.63 1.06 0.00 -1.26 -4.35 107.32 100.72 2wr3 s GLY 341 Ca -0.08 -1.28 0.00 0.00 0.00 0.00 0.00 44.72 43.36 2wr3 s GLY 341 CO 0.77 -0.90 0.88 -0.32 0.00 0.00 0.00 173.10 173.53 2wr3 s GLY 342 N -3.14 1.79 -0.29 0.20 0.00 0.11 -4.65 107.32 101.35 2wr3 s GLY 342 Ca 0.28 -1.49 -0.07 0.00 0.00 0.00 0.00 44.72 43.45 2wr3 s GLY 342 CO 0.15 -1.07 0.07 -0.98 0.00 0.00 0.00 173.10 171.26 2wr3 s TRP 343 N -2.95 3.14 0.39 1.90 0.51 0.42 -4.77 118.94 117.57 2wr3 s TRP 343 Ca 0.61 -0.94 0.27 0.00 -2.12 0.00 0.00 56.10 53.92 2wr3 s TRP 343 Cb -0.08 -2.25 1.40 0.00 -0.81 0.00 0.00 33.47 31.73 2wr3 s TRP 343 CO 0.41 -0.56 2.05 1.96 -0.51 0.00 0.00 176.95 180.30 2wr3 h GLN 344 N 8.23 0.00 -0.18 4.98 1.08 -1.89 -2.17 115.11 125.16 2wr3 h GLN 344 Ca -0.32 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.87 2wr3 h GLN 344 Cb 1.13 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.55 2wr3 h GLN 344 CO 0.60 0.13 0.08 0.78 -0.95 0.00 0.00 178.83 179.47 2wr3 h GLY 345 N 0.97 0.28 -6.69 3.46 0.00 -1.92 -3.41 103.07 95.76 2wr3 h GLY 345 Ca -0.00 -0.15 -0.57 0.00 0.00 0.00 0.00 47.33 46.61 2wr3 h GLY 345 CO 0.02 0.14 1.13 -0.29 0.00 0.00 0.00 176.54 177.54 2wr3 s MET 346 N -5.61 3.54 0.00 4.80 -2.45 -1.23 -4.86 119.30 113.48 2wr3 s MET 346 Ca -0.14 1.18 0.12 0.00 -1.25 0.00 0.00 55.69 55.60 2wr3 s MET 346 Cb 0.07 -4.07 0.01 0.00 1.25 0.00 0.00 34.83 32.09 2wr3 s MET 346 CO 0.70 -1.60 0.71 1.33 1.05 0.00 0.00 175.02 177.21 2wr3 n VAL 347 N 7.07 0.00 -1.99 10.11 0.24 -1.26 -4.67 118.33 127.84 2wr3 n VAL 347 Ca 0.19 -0.40 -0.08 0.00 -2.04 0.00 0.00 64.34 62.01 2wr3 n VAL 347 Cb 0.47 1.15 0.09 0.00 -1.47 0.00 0.00 33.84 34.09 2wr3 n VAL 347 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2wr3 n ASP 348 N -0.10 3.05 0.00 -1.34 5.75 -1.26 -5.05 116.55 117.60 2wr3 n ASP 348 Ca 0.05 -3.49 0.00 0.00 -0.01 0.00 0.00 54.79 51.34 2wr3 n ASP 348 Cb 0.25 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 2wr3 n ASP 348 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wr3 n GLY 349 N -0.75 1.49 0.11 6.12 0.00 -1.26 -4.85 105.19 106.05 2wr3 n GLY 349 Ca 0.28 -0.87 -0.16 0.00 0.00 0.00 0.00 46.02 45.26 2wr3 n GLY 349 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2wr3 h TRP 350 N 0.00 0.40 -3.71 1.61 6.55 -1.90 -3.42 115.95 115.48 2wr3 h TRP 350 Ca 0.00 -0.29 -0.29 0.00 0.95 0.00 0.00 58.89 59.26 2wr3 h TRP 350 Cb 0.00 -0.02 -0.17 0.00 -0.86 0.00 0.00 29.16 28.12 2wr3 h TRP 350 CO 0.00 1.39 -0.72 0.71 -1.05 0.00 0.00 178.44 178.77 2wr3 s TYR 351 N -2.61 1.01 -0.64 0.49 1.51 -1.26 -0.65 117.35 115.20 2wr3 s TYR 351 Ca -0.10 -0.74 0.00 0.00 -1.01 0.00 0.00 57.07 55.22 2wr3 s TYR 351 Cb 0.07 -0.56 0.00 0.00 -0.11 0.00 0.00 41.96 41.36 2wr3 s TYR 351 CO 0.84 -0.04 0.00 0.41 -1.11 0.00 0.00 175.55 175.65 2wr3 n GLY 352 N 0.32 -0.56 3.32 0.71 0.00 -0.90 -0.98 105.19 107.10 2wr3 n GLY 352 Ca -0.14 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 2wr3 n GLY 352 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wr3 s TYR 353 N -3.02 2.23 -0.13 1.61 1.51 0.15 -2.12 117.35 117.59 2wr3 s TYR 353 Ca 0.00 -0.41 -0.01 0.00 -1.01 0.00 0.00 57.07 55.64 2wr3 s TYR 353 Cb 0.00 -1.36 -0.02 0.00 -0.11 0.00 0.00 41.96 40.47 2wr3 s TYR 353 CO 0.00 0.08 -0.08 -1.58 -1.11 0.00 0.00 175.55 172.86 2wr3 s HIS 354 N -0.75 2.91 0.02 2.71 2.46 0.20 -0.87 115.29 121.97 2wr3 s HIS 354 Ca 0.11 -0.38 0.07 0.00 0.47 0.00 0.00 55.06 55.32 2wr3 s HIS 354 Cb -0.10 -1.86 -0.02 0.00 -0.13 0.00 0.00 32.58 30.47 2wr3 s HIS 354 CO 0.01 -0.04 -0.20 -3.38 -2.47 0.00 0.00 174.74 168.66 2wr3 s HIS 355 N 0.14 1.75 -0.19 3.88 -3.43 0.03 0.14 115.29 117.61 2wr3 s HIS 355 Ca -0.04 -0.36 -0.01 0.00 -0.80 0.00 0.00 55.06 53.86 2wr3 s HIS 355 Cb -0.14 -1.07 0.01 0.00 -1.43 0.00 0.00 32.58 29.94 2wr3 s HIS 355 CO 0.04 0.05 -0.15 -1.12 -2.00 0.00 0.00 174.74 171.56 2wr3 s SER 356 N -0.94 3.56 0.15 7.38 0.01 0.42 -4.27 113.70 120.01 2wr3 s SER 356 Ca 0.07 -0.54 0.06 0.00 1.31 0.00 0.00 55.95 56.85 2wr3 s SER 356 Cb -0.08 -1.57 -0.04 0.00 0.21 0.00 0.00 66.02 64.54 2wr3 s SER 356 CO 0.01 0.01 -0.13 0.21 0.41 0.00 0.00 173.24 173.75 2wr3 s ASN 357 N 1.27 2.08 0.22 2.44 3.84 -0.85 0.17 114.94 124.11 2wr3 s ASN 357 Ca 0.04 -0.92 -0.09 0.00 0.21 0.00 0.00 52.86 52.10 2wr3 s ASN 357 Cb -0.14 -0.07 0.25 0.00 -0.55 0.00 0.00 41.25 40.74 2wr3 s ASN 357 CO -0.08 -0.20 1.83 0.44 -2.79 0.00 0.00 177.10 176.30 2wr3 h ASP 358 N 3.08 0.66 0.00 -4.21 3.32 -2.00 -3.36 116.42 113.91 2wr3 h ASP 358 Ca -0.38 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.68 2wr3 h ASP 358 Cb 1.20 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.63 2wr3 h ASP 358 CO 0.57 0.43 0.00 0.00 -1.72 0.00 0.00 179.24 178.52 2wr3 n GLN 359 N -4.72 0.00 -3.52 3.56 3.00 -1.26 -5.05 117.38 109.39 2wr3 n GLN 359 Ca 0.09 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.87 2wr3 n GLN 359 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.37 2wr3 n GLN 359 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2wr3 n GLY 360 N 1.65 3.25 3.64 1.08 0.00 -1.26 -5.15 105.19 108.40 2wr3 n GLY 360 Ca 0.00 -2.29 -0.11 0.00 0.00 0.00 0.00 46.02 43.62 2wr3 n GLY 360 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wr3 s SER 361 N -3.17 -0.63 0.00 1.61 1.04 -1.26 -2.01 113.70 109.29 2wr3 s SER 361 Ca 0.12 1.17 0.00 0.00 0.48 0.00 0.00 55.95 57.72 2wr3 s SER 361 Cb -0.01 1.20 0.00 0.00 0.10 0.00 0.00 66.02 67.31 2wr3 s SER 361 CO 0.08 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.71 2wr3 n GLY 362 N 2.71 -0.86 3.21 7.32 0.00 -1.26 -5.07 105.19 111.25 2wr3 n GLY 362 Ca -0.14 0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 2wr3 n GLY 362 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wr3 s TYR 363 N 0.00 3.23 -0.15 1.61 1.51 -1.26 -0.79 117.35 121.51 2wr3 s TYR 363 Ca 0.00 -1.67 0.01 0.00 -1.01 0.00 0.00 57.07 54.40 2wr3 s TYR 363 Cb 0.00 -2.15 0.00 0.00 -0.11 0.00 0.00 41.96 39.70 2wr3 s TYR 363 CO 0.00 -0.76 -0.19 0.00 -1.11 0.00 0.00 175.55 173.49 2wr3 s ALA 364 N 1.31 2.36 0.40 3.71 0.00 -0.04 -5.00 121.76 124.51 2wr3 s ALA 364 Ca -0.03 -1.07 -0.23 0.00 0.00 0.00 0.00 51.96 50.63 2wr3 s ALA 364 Cb -0.19 -1.10 -0.10 0.00 0.00 0.00 0.00 23.12 21.74 2wr3 s ALA 364 CO -0.00 -0.02 0.99 0.00 0.00 0.00 0.00 175.76 176.74 2wr3 s ALA 365 N 0.79 3.07 -0.91 0.00 0.00 -1.26 0.31 121.76 123.77 2wr3 s ALA 365 Ca -0.07 0.56 -0.18 0.00 0.00 0.00 0.00 51.96 52.27 2wr3 s ALA 365 Cb -0.16 -3.21 0.15 0.00 0.00 0.00 0.00 23.12 19.90 2wr3 s ALA 365 CO -0.01 -0.04 1.05 0.34 0.00 0.00 0.00 175.76 177.10 2wr3 s ASP 366 N -1.82 6.65 0.17 0.00 2.15 -0.15 -4.83 116.67 118.84 2wr3 s ASP 366 Ca 0.59 -2.17 -0.17 0.00 0.43 0.00 0.00 52.55 51.22 2wr3 s ASP 366 Cb -0.17 -2.36 0.09 0.00 -0.30 0.00 0.00 42.92 40.19 2wr3 s ASP 366 CO 0.21 -0.96 1.66 0.07 -0.17 0.00 0.00 175.17 175.98 2wr3 h LYS 367 N 8.62 -0.02 0.25 4.34 2.10 -1.92 -2.14 116.57 127.80 2wr3 h LYS 367 Ca 0.14 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 2wr3 h LYS 367 Cb 1.03 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.34 2wr3 h LYS 367 CO 1.03 -0.01 -0.26 1.49 -2.00 0.00 0.00 179.45 179.70 2wr3 h GLU 368 N -0.02 -0.53 0.00 0.07 4.22 -1.97 -1.59 114.58 114.76 2wr3 h GLU 368 Ca 0.19 0.04 -0.17 0.00 0.08 0.00 0.00 59.36 59.50 2wr3 h GLU 368 Cb 0.31 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2wr3 h GLU 368 CO -0.42 -0.35 -0.84 0.66 -2.18 0.00 0.00 179.01 175.88 2wr3 h SER 369 N -0.55 0.00 -0.48 1.04 4.64 -1.95 -2.66 113.55 113.59 2wr3 h SER 369 Ca -0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 2wr3 h SER 369 Cb 0.51 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.58 2wr3 h SER 369 CO -0.07 0.76 0.32 0.74 -0.87 0.00 0.00 176.83 177.72 2wr3 h THR 370 N 0.00 1.05 -0.12 2.95 2.02 -1.26 -2.49 112.91 115.05 2wr3 h THR 370 Ca -0.03 -0.19 -0.23 0.00 0.77 0.00 0.00 66.41 66.73 2wr3 h THR 370 Cb 1.60 0.46 0.01 0.00 -1.74 0.00 0.00 68.15 68.49 2wr3 h THR 370 CO 0.10 0.10 -0.83 -0.61 0.37 0.00 0.00 175.52 174.65 2wr3 h GLN 371 N 0.55 0.77 -0.86 6.66 5.75 -1.05 -0.59 115.11 126.35 2wr3 h GLN 371 Ca 0.19 -0.66 0.16 0.00 -0.15 0.00 0.00 58.65 58.19 2wr3 h GLN 371 Cb 0.09 0.15 -0.10 0.00 1.07 0.00 0.00 27.48 28.69 2wr3 h GLN 371 CO -0.05 1.26 0.43 -0.22 -2.65 0.00 0.00 178.83 177.60 2wr3 h LYS 372 N 0.51 0.56 0.05 1.69 3.64 -1.15 -0.98 116.57 120.90 2wr3 h LYS 372 Ca -0.07 -0.03 -0.25 0.00 -1.27 0.00 0.00 60.65 59.03 2wr3 h LYS 372 Cb 1.46 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 33.16 2wr3 h LYS 372 CO 0.17 0.37 -1.07 0.00 -2.27 0.00 0.00 179.45 176.65 2wr3 h ALA 373 N 1.59 0.25 -0.50 5.00 0.00 -1.26 -0.55 119.26 123.79 2wr3 h ALA 373 Ca 0.48 -0.77 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2wr3 h ALA 373 Cb 0.74 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2wr3 h ALA 373 CO -0.40 0.85 0.21 0.27 0.00 0.00 0.00 179.25 180.18 2wr3 h PHE 374 N 0.18 0.72 0.01 0.00 -0.00 -0.73 -1.96 116.94 115.16 2wr3 h PHE 374 Ca -0.11 -0.03 -0.00 0.00 -0.00 0.00 0.00 57.97 57.83 2wr3 h PHE 374 Cb 1.73 -0.22 0.00 0.00 -0.00 0.00 0.00 35.95 37.46 2wr3 h PHE 374 CO 0.07 0.56 -0.01 -0.44 -0.00 0.00 0.00 178.31 178.49 2wr3 h ASP 375 N 0.71 -0.01 -0.15 -0.68 3.32 -1.09 -2.60 116.42 115.92 2wr3 h ASP 375 Ca 0.17 -0.71 0.02 0.00 0.02 0.00 0.00 57.03 56.53 2wr3 h ASP 375 Cb 0.13 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 2wr3 h ASP 375 CO -0.02 0.72 0.03 1.23 -1.72 0.00 0.00 179.24 179.48 2wr3 h GLY 376 N -0.76 0.16 1.81 2.75 0.00 -1.00 -1.13 103.07 104.91 2wr3 h GLY 376 Ca -0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 47.33 47.20 2wr3 h GLY 376 CO 0.00 0.00 -0.47 -2.22 0.00 0.00 0.00 176.54 173.85 2wr3 h ILE 377 N 0.09 1.34 -0.12 2.60 5.03 -1.48 -0.89 117.51 124.07 2wr3 h ILE 377 Ca 0.07 -1.67 0.02 0.00 -0.12 0.00 0.00 64.86 63.15 2wr3 h ILE 377 Cb 0.06 1.80 -0.02 0.00 -3.03 0.00 0.00 36.82 35.63 2wr3 h ILE 377 CO -0.09 0.49 0.02 0.74 -0.68 0.00 0.00 178.15 178.63 2wr3 h THR 378 N 0.17 0.94 -0.90 -0.27 2.02 -1.08 -2.39 112.91 111.40 2wr3 h THR 378 Ca 0.01 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.17 2wr3 h THR 378 Cb 0.90 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 68.14 2wr3 h THR 378 CO 0.07 0.01 0.57 0.78 0.37 0.00 0.00 175.52 177.33 2wr3 h ASN 379 N 0.07 1.05 -0.54 4.18 2.35 -0.74 -1.63 115.58 120.33 2wr3 h ASN 379 Ca 0.05 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2wr3 h ASN 379 Cb 0.05 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 2wr3 h ASN 379 CO -0.07 0.78 0.29 0.50 -1.65 0.00 0.00 177.43 177.27 2wr3 h LYS 380 N 1.23 0.75 -0.31 0.81 3.64 -0.92 0.44 116.57 122.20 2wr3 h LYS 380 Ca 0.33 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 2wr3 h LYS 380 Cb -0.11 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 2wr3 h LYS 380 CO -0.07 0.59 0.04 0.28 -2.27 0.00 0.00 179.45 178.01 2wr3 h VAL 381 N 0.72 1.24 -0.47 2.00 2.07 -1.29 -2.22 116.25 118.29 2wr3 h VAL 381 Ca 0.19 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 2wr3 h VAL 381 Cb 0.06 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2wr3 h VAL 381 CO -0.03 0.28 0.12 0.78 0.02 0.00 0.00 177.57 178.74 2wr3 h ASN 382 N 0.34 0.65 0.18 0.57 2.35 -0.97 -1.25 115.58 117.44 2wr3 h ASN 382 Ca 0.09 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 2wr3 h ASN 382 Cb 0.37 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 2wr3 h ASN 382 CO 0.01 0.64 -0.10 0.28 -1.65 0.00 0.00 177.43 176.61 2wr3 h SER 383 N 0.69 -0.25 -0.79 5.81 0.02 0.01 0.45 113.55 119.48 2wr3 h SER 383 Ca 0.16 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 2wr3 h SER 383 Cb 0.24 0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.81 2wr3 h SER 383 CO -0.00 -0.17 0.43 0.58 -1.14 0.00 0.00 176.83 176.53 2wr3 h VAL 384 N -0.26 1.24 0.17 2.27 2.07 -1.07 -2.71 116.25 117.96 2wr3 h VAL 384 Ca -0.02 -0.60 -0.31 0.00 0.82 0.00 0.00 66.70 66.59 2wr3 h VAL 384 Cb 0.21 0.16 0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2wr3 h VAL 384 CO 0.02 0.27 -1.49 0.40 0.02 0.00 0.00 177.57 176.80 2wr3 h ILE 385 N 1.12 1.10 0.00 4.57 2.04 -1.14 -3.39 117.51 121.81 2wr3 h ILE 385 Ca 0.28 -2.52 0.00 0.00 1.00 0.00 0.00 64.86 63.63 2wr3 h ILE 385 Cb 0.04 2.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.98 2wr3 h ILE 385 CO -0.04 0.79 -0.41 0.00 0.00 0.00 0.00 178.15 178.49 2wr3 n ALA 386 N -2.84 2.72 1.80 1.87 0.00 0.16 -3.19 120.51 121.03 2wr3 n ALA 386 Ca -0.22 -0.17 0.15 0.00 0.00 0.00 0.00 53.44 53.20 2wr3 n ALA 386 Cb 1.00 -1.27 0.82 0.00 0.00 0.00 0.00 19.45 19.99 2wr3 n ALA 386 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wr3 n LYS 387 N -2.14 1.07 -2.91 0.00 4.76 -1.03 -4.82 118.16 113.10 2wr3 n LYS 387 Ca 0.04 -0.22 -0.43 0.00 -2.87 0.00 0.00 58.31 54.84 2wr3 n LYS 387 Cb 0.43 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 32.08 2wr3 n LYS 387 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 2wr3 s MET 388 N -2.08 3.63 -0.38 1.97 1.75 -1.19 -5.01 119.30 117.98 2wr3 s MET 388 Ca 0.43 0.21 -0.27 0.00 -1.25 0.00 0.00 55.69 54.81 2wr3 s MET 388 Cb 0.21 -3.87 0.02 0.00 2.84 0.00 0.00 34.83 34.04 2wr3 s MET 388 CO 0.38 -1.02 0.97 1.21 -0.65 0.00 0.00 175.02 175.91 2wr3 s ASN 389 N 2.02 6.70 -0.52 1.11 3.04 -1.26 -5.01 114.94 121.01 2wr3 s ASN 389 Ca 0.33 0.60 0.04 0.00 0.04 0.00 0.00 52.86 53.86 2wr3 s ASN 389 Cb -0.12 -2.48 0.13 0.00 -1.54 0.00 0.00 41.25 37.24 2wr3 s ASN 389 CO 0.21 -0.92 0.26 0.42 -3.04 0.00 0.00 177.10 174.03 2wr3 s THR 390 N 3.63 2.65 0.79 -5.21 -4.23 -1.26 -5.09 115.64 106.92 2wr3 s THR 390 Ca 0.40 -3.27 -0.12 0.00 -1.18 0.00 0.00 61.69 57.52 2wr3 s THR 390 Cb -0.11 -2.84 0.07 0.00 1.34 0.00 0.00 72.50 70.95 2wr3 s THR 390 CO 0.20 -0.80 1.15 0.00 -0.54 0.00 0.00 174.62 174.63 2wr3 s GLN 391 N -0.24 2.16 -0.05 3.99 -2.07 -1.26 -4.85 119.66 117.34 2wr3 s GLN 391 Ca 0.17 0.24 -0.28 0.00 -1.82 0.00 0.00 55.36 53.67 2wr3 s GLN 391 Cb -0.25 -1.96 -0.03 0.00 -1.09 0.00 0.00 33.01 29.68 2wr3 s GLN 391 CO -0.01 -1.49 0.90 0.12 -1.32 0.00 0.00 175.29 173.50 2wr3 s PHE 392 N -3.48 3.60 0.18 9.60 5.36 -1.26 -4.40 117.98 127.58 2wr3 s PHE 392 Ca 0.61 1.53 0.01 0.00 -0.96 0.00 0.00 56.93 58.12 2wr3 s PHE 392 Cb -0.11 -3.04 -0.05 0.00 -0.34 0.00 0.00 43.02 39.48 2wr3 s PHE 392 CO 0.50 -0.03 0.03 -1.21 -1.46 0.00 0.00 175.22 173.05 2wr3 s GLU 393 N 1.19 1.12 -0.17 10.12 8.01 -0.91 -4.95 118.70 133.11 2wr3 s GLU 393 Ca 0.47 -1.55 0.09 0.00 0.01 0.00 0.00 54.97 53.99 2wr3 s GLU 393 Cb -0.19 -0.14 -0.17 0.00 -4.31 0.00 0.00 34.13 29.31 2wr3 s GLU 393 CO 0.23 -0.19 -0.03 0.00 0.01 0.00 0.00 175.26 175.28 2wr3 n ALA 394 N -0.24 1.60 -0.64 5.21 0.00 -1.26 -1.52 120.51 123.66 2wr3 n ALA 394 Ca -0.05 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.43 2wr3 n ALA 394 Cb 0.64 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2wr3 n ALA 394 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wr3 n VAL 395 N -2.75 0.00 -1.57 0.00 0.31 -1.26 -4.49 118.33 108.58 2wr3 n VAL 395 Ca -0.29 0.00 -0.48 0.00 -0.01 0.00 0.00 64.34 63.56 2wr3 n VAL 395 Cb 0.96 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.85 2wr3 n VAL 395 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wr3 n GLY 396 N 0.00 -0.13 3.04 2.92 0.00 -1.26 -4.99 105.19 104.77 2wr3 n GLY 396 Ca 0.00 0.49 -0.12 0.00 0.00 0.00 0.00 46.02 46.39 2wr3 n GLY 396 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wr3 s LYS 397 N -0.63 0.48 -0.13 1.61 -0.14 -1.26 -4.70 119.74 114.98 2wr3 s LYS 397 Ca 0.70 -0.71 -0.03 0.00 -1.36 0.00 0.00 55.97 54.58 2wr3 s LYS 397 Cb -0.84 -0.22 -0.03 0.00 -1.68 0.00 0.00 37.83 35.06 2wr3 s LYS 397 CO 0.54 0.03 -0.03 -1.21 -0.76 0.00 0.00 175.35 173.93 2wr3 s GLU 398 N -1.50 3.43 0.00 1.68 0.41 -1.26 -5.12 118.70 116.34 2wr3 s GLU 398 Ca -0.11 -0.49 -0.00 0.00 -0.41 0.00 0.00 54.97 53.96 2wr3 s GLU 398 Cb -0.10 -2.86 -0.00 0.00 -1.78 0.00 0.00 34.13 29.39 2wr3 s GLU 398 CO 0.00 0.40 -0.00 -0.06 -0.49 0.00 0.00 175.26 175.10 2wr3 s PHE 399 N -0.05 0.06 0.99 1.61 0.08 -1.26 -5.01 117.98 114.40 2wr3 s PHE 399 Ca 0.02 -0.13 -0.13 0.00 0.12 0.00 0.00 56.93 56.81 2wr3 s PHE 399 Cb -0.13 -0.05 0.18 0.00 -0.57 0.00 0.00 43.02 42.46 2wr3 s PHE 399 CO 0.02 -0.05 1.12 -1.54 -0.10 0.00 0.00 175.22 174.67 2wr3 s SER 400 N -0.37 2.75 0.33 1.36 1.04 -1.26 -4.92 113.70 112.63 2wr3 s SER 400 Ca -0.04 0.99 0.26 0.00 0.48 0.00 0.00 55.95 57.63 2wr3 s SER 400 Cb -0.03 -1.55 1.15 0.00 0.10 0.00 0.00 66.02 65.70 2wr3 s SER 400 CO -0.00 -3.03 1.77 -0.55 0.98 0.00 0.00 173.24 172.41 2wr3 h ASN 401 N -1.82 0.00 -0.57 7.02 -1.07 -2.03 -2.09 115.58 115.02 2wr3 h ASN 401 Ca -0.52 0.00 -0.06 0.00 0.07 0.00 0.00 56.30 55.79 2wr3 h ASN 401 Cb 1.33 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 37.54 2wr3 h ASN 401 CO 0.56 0.00 0.07 0.18 0.07 0.00 0.00 177.43 178.31 2wr3 n LEU 402 N -2.40 5.55 -1.38 6.14 4.77 -1.26 -4.22 117.00 124.20 2wr3 n LEU 402 Ca 0.01 -3.05 -0.02 0.00 -0.03 0.00 0.00 56.01 52.93 2wr3 n LEU 402 Cb 0.19 -0.68 0.11 0.00 -2.33 0.00 0.00 43.42 40.70 2wr3 n LEU 402 CO 0.18 0.70 0.21 -0.62 -1.33 0.00 0.00 177.39 176.53 2wr3 n GLU 403 N 0.21 1.68 -0.25 3.23 1.02 -0.78 -4.87 120.64 120.88 2wr3 n GLU 403 Ca 0.31 -3.22 0.01 0.00 -0.02 0.00 0.00 57.16 54.24 2wr3 n GLU 403 Cb 1.21 -1.39 0.14 0.00 -0.02 0.00 0.00 31.44 31.38 2wr3 n GLU 403 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wr3 h ARG 404 N 1.44 0.59 -0.56 3.49 -0.00 -1.73 -1.27 114.38 116.35 2wr3 h ARG 404 Ca 0.01 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.98 59.43 2wr3 h ARG 404 Cb 1.36 -0.13 -0.03 0.00 0.00 0.00 0.00 29.97 31.17 2wr3 h ARG 404 CO 0.21 0.39 0.26 0.00 0.00 0.00 0.00 179.97 180.83 2wr3 h ARG 405 N 0.61 0.81 -0.30 0.04 3.08 -1.95 0.26 114.38 116.92 2wr3 h ARG 405 Ca 0.35 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 2wr3 h ARG 405 Cb 0.37 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2wr3 h ARG 405 CO -0.27 0.67 0.16 1.25 -1.07 0.00 0.00 179.97 180.72 2wr3 h LEU 406 N 0.75 0.38 -1.39 3.04 5.85 -1.85 -0.43 115.31 121.66 2wr3 h LEU 406 Ca 0.19 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.83 2wr3 h LEU 406 Cb 0.14 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 2wr3 h LEU 406 CO -0.02 0.36 0.42 -0.08 -0.34 0.00 0.00 178.44 178.78 2wr3 h GLU 407 N 0.37 0.80 0.00 1.25 4.81 -0.86 -1.28 114.58 119.67 2wr3 h GLU 407 Ca 0.11 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.19 2wr3 h GLU 407 Cb 0.07 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2wr3 h GLU 407 CO -0.02 0.53 -0.48 -0.97 -0.73 0.00 0.00 179.01 177.34 2wr3 h ASN 408 N 0.83 0.00 -0.01 1.04 -0.73 -0.44 -1.14 115.58 115.13 2wr3 h ASN 408 Ca 0.24 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.40 2wr3 h ASN 408 Cb -0.05 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.54 2wr3 h ASN 408 CO -0.06 0.48 -0.01 0.25 -0.37 0.00 0.00 177.43 177.72 2wr3 h LEU 409 N 0.00 0.04 -0.88 0.34 6.46 0.01 -0.82 115.31 120.45 2wr3 h LEU 409 Ca -0.00 -0.50 0.09 0.00 -0.12 0.00 0.00 57.88 57.35 2wr3 h LEU 409 Cb 0.99 -0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 40.84 2wr3 h LEU 409 CO 0.06 0.53 0.53 -1.13 -0.62 0.00 0.00 178.44 177.81 2wr3 h ASN 410 N -0.46 0.78 -0.57 1.25 -0.00 -1.25 -1.05 115.58 114.29 2wr3 h ASN 410 Ca 0.00 0.04 -0.04 0.00 -0.00 0.00 0.00 56.30 56.30 2wr3 h ASN 410 Cb 0.52 -0.12 -0.02 0.00 -0.00 0.00 0.00 38.32 38.70 2wr3 h ASN 410 CO 0.00 0.45 0.20 0.50 -0.00 0.00 0.00 177.43 178.58 2wr3 h LYS 411 N 0.89 0.87 -0.57 6.67 3.64 -1.06 -0.66 116.57 126.35 2wr3 h LYS 411 Ca 0.42 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 2wr3 h LYS 411 Cb 0.34 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 2wr3 h LYS 411 CO -0.23 0.77 0.28 -0.22 -2.27 0.00 0.00 179.45 177.78 2wr3 h LYS 412 N 0.79 0.80 0.11 1.90 1.63 -0.67 -1.23 116.57 119.90 2wr3 h LYS 412 Ca 0.19 -0.09 -0.01 0.00 -0.85 0.00 0.00 60.65 59.88 2wr3 h LYS 412 Cb 0.25 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 2wr3 h LYS 412 CO -0.01 0.61 -0.06 1.98 -3.45 0.00 0.00 179.45 178.53 2wr3 h MET 413 N 0.80 -0.15 -0.78 1.90 4.05 -0.88 -1.28 114.93 118.60 2wr3 h MET 413 Ca 0.20 0.01 0.08 0.00 -0.28 0.00 0.00 59.70 59.71 2wr3 h MET 413 Cb 0.07 0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 30.86 2wr3 h MET 413 CO -0.03 0.33 0.51 0.93 0.23 0.00 0.00 176.91 178.88 2wr3 h GLU 414 N -0.76 0.75 -0.21 0.39 4.39 -1.01 -1.55 114.58 116.59 2wr3 h GLU 414 Ca -0.02 -0.05 -0.18 0.00 0.34 0.00 0.00 59.36 59.46 2wr3 h GLU 414 Cb 0.55 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2wr3 h GLU 414 CO 0.03 0.50 -0.58 -0.44 -1.16 0.00 0.00 179.01 177.35 2wr3 h ASP 415 N 0.78 0.87 -0.62 1.42 3.32 -1.26 -1.58 116.42 119.35 2wr3 h ASP 415 Ca 0.35 -0.58 0.04 0.00 0.02 0.00 0.00 57.03 56.85 2wr3 h ASP 415 Cb 0.34 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 2wr3 h ASP 415 CO -0.13 1.29 0.37 1.23 -1.72 0.00 0.00 179.24 180.28 2wr3 h GLY 416 N 0.48 0.89 1.23 2.75 0.00 -0.38 -0.63 103.07 107.41 2wr3 h GLY 416 Ca -0.01 -0.27 -0.14 0.00 0.00 0.00 0.00 47.33 46.91 2wr3 h GLY 416 CO 0.12 0.21 -0.29 0.74 0.00 0.00 0.00 176.54 177.32 2wr3 h PHE 417 N 0.71 1.00 -0.34 5.60 -1.00 -1.26 -1.95 116.94 119.70 2wr3 h PHE 417 Ca 0.26 -0.26 0.05 0.00 2.81 0.00 0.00 57.97 60.83 2wr3 h PHE 417 Cb 0.07 -0.23 -0.05 0.00 3.61 0.00 0.00 35.95 39.35 2wr3 h PHE 417 CO -0.06 1.04 0.04 1.25 -1.61 0.00 0.00 178.31 178.97 2wr3 h LEU 418 N 0.73 -0.06 -0.50 1.54 5.85 -0.83 -0.50 115.31 121.55 2wr3 h LEU 418 Ca 0.08 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 2wr3 h LEU 418 Cb 0.84 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 2wr3 h LEU 418 CO 0.07 0.01 0.24 0.44 -0.34 0.00 0.00 178.44 178.86 2wr3 h ASP 419 N 0.14 0.65 0.33 1.25 3.32 -0.98 -1.07 116.42 120.06 2wr3 h ASP 419 Ca 0.16 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 2wr3 h ASP 419 Cb 0.20 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2wr3 h ASP 419 CO -0.24 0.59 -0.16 0.58 -1.72 0.00 0.00 179.24 178.29 2wr3 h VAL 420 N 0.66 0.67 -0.48 -1.35 2.07 -1.04 -2.26 116.25 114.52 2wr3 h VAL 420 Ca 0.17 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.62 2wr3 h VAL 420 Cb 0.11 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 2wr3 h VAL 420 CO -0.02 0.00 0.02 -0.50 0.02 0.00 0.00 177.57 177.09 2wr3 h TRP 421 N -0.44 0.82 0.56 1.57 4.06 -1.02 -1.49 115.95 120.01 2wr3 h TRP 421 Ca -0.05 -0.10 -0.03 0.00 2.06 0.00 0.00 58.89 60.77 2wr3 h TRP 421 Cb 0.34 -0.23 0.01 0.00 -1.00 0.00 0.00 29.16 28.28 2wr3 h TRP 421 CO -0.05 0.75 -0.27 1.15 -3.56 0.00 0.00 178.44 176.45 2wr3 h THR 422 N 0.73 0.42 -0.12 1.49 2.02 -1.16 -1.45 112.91 114.84 2wr3 h THR 422 Ca 0.15 -0.14 0.04 0.00 0.77 0.00 0.00 66.41 67.23 2wr3 h THR 422 Cb 0.41 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 2wr3 h THR 422 CO 0.01 0.02 -0.14 0.22 0.37 0.00 0.00 175.52 176.00 2wr3 h TYR 423 N -0.85 -0.37 -0.78 3.16 3.20 -1.30 -1.31 116.97 118.72 2wr3 h TYR 423 Ca -0.08 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.78 2wr3 h TYR 423 Cb 0.62 0.18 -0.04 0.00 1.54 0.00 0.00 36.73 39.03 2wr3 h TYR 423 CO -0.02 -0.21 0.37 -0.91 -1.64 0.00 0.00 178.16 175.74 2wr3 h ASN 424 N -0.18 1.02 -0.17 -2.11 2.35 -1.25 -1.77 115.58 113.46 2wr3 h ASN 424 Ca 0.09 -0.12 -0.07 0.00 -0.55 0.00 0.00 56.30 55.65 2wr3 h ASN 424 Cb 0.31 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 2wr3 h ASN 424 CO -0.23 0.86 -0.17 0.00 -1.65 0.00 0.00 177.43 176.24 2wr3 h ALA 425 N 1.29 0.25 -0.60 -0.83 0.00 -1.09 0.40 119.26 118.69 2wr3 h ALA 425 Ca 0.27 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2wr3 h ALA 425 Cb 0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2wr3 h ALA 425 CO -0.03 0.16 0.36 0.93 0.00 0.00 0.00 179.25 180.66 2wr3 h GLU 426 N 0.07 0.67 0.00 0.00 4.39 -1.02 -0.40 114.58 118.29 2wr3 h GLU 426 Ca 0.03 -0.04 -0.17 0.00 0.34 0.00 0.00 59.36 59.52 2wr3 h GLU 426 Cb 0.71 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 2wr3 h GLU 426 CO 0.04 0.45 -0.84 -0.07 -1.16 0.00 0.00 179.01 177.43 2wr3 h LEU 427 N 0.69 0.00 0.09 1.33 4.07 -1.36 -2.25 115.31 117.88 2wr3 h LEU 427 Ca 0.25 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.20 2wr3 h LEU 427 Cb 0.05 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.79 2wr3 h LEU 427 CO -0.12 0.79 -0.04 0.25 -1.08 0.00 0.00 178.44 178.25 2wr3 h LEU 428 N 0.00 -0.10 -0.73 1.67 5.85 -0.39 -1.36 115.31 120.25 2wr3 h LEU 428 Ca -0.02 -0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.64 2wr3 h LEU 428 Cb 1.62 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.62 2wr3 h LEU 428 CO 0.10 0.07 0.41 0.58 -0.34 0.00 0.00 178.44 179.26 2wr3 h VAL 429 N -0.27 0.95 -0.18 1.05 2.07 -1.08 0.15 116.25 118.94 2wr3 h VAL 429 Ca -0.01 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 2wr3 h VAL 429 Cb 0.23 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 2wr3 h VAL 429 CO 0.02 0.13 -0.01 -0.07 0.02 0.00 0.00 177.57 177.66 2wr3 h LEU 430 N 0.73 0.33 -0.29 2.57 3.38 -1.20 -1.68 115.31 119.14 2wr3 h LEU 430 Ca 0.33 -0.32 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 2wr3 h LEU 430 Cb 0.25 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2wr3 h LEU 430 CO -0.21 0.57 -0.30 0.24 0.09 0.00 0.00 178.44 178.84 2wr3 h MET 431 N 0.07 0.72 0.00 1.13 2.86 -1.06 -2.58 114.93 116.07 2wr3 h MET 431 Ca 0.05 -0.38 -0.00 0.00 -2.06 0.00 0.00 59.70 57.31 2wr3 h MET 431 Cb 0.41 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 2wr3 h MET 431 CO 0.01 1.00 -0.02 0.93 1.06 0.00 0.00 176.91 179.89 2wr3 h GLU 432 N 0.47 0.00 -0.11 1.72 4.39 -0.97 -2.46 114.58 117.61 2wr3 h GLU 432 Ca 0.05 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.56 2wr3 h GLU 432 Cb 0.87 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.53 2wr3 h GLU 432 CO 0.07 0.02 -0.64 -0.91 -1.16 0.00 0.00 179.01 176.39 2wr3 h ASN 433 N 0.00 0.76 -0.59 1.42 2.35 -1.15 -1.41 115.58 116.96 2wr3 h ASN 433 Ca -0.00 -0.65 0.02 0.00 -0.55 0.00 0.00 56.30 55.12 2wr3 h ASN 433 Cb 0.52 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 2wr3 h ASN 433 CO 0.00 1.29 0.39 -0.08 -1.65 0.00 0.00 177.43 177.38 2wr3 h GLU 434 N 0.29 0.71 0.06 0.81 4.22 -1.06 -2.25 114.58 117.35 2wr3 h GLU 434 Ca -0.05 -0.04 -0.28 0.00 0.08 0.00 0.00 59.36 59.07 2wr3 h GLU 434 Cb 1.29 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2wr3 h GLU 434 CO 0.13 0.47 -1.47 0.00 -2.18 0.00 0.00 179.01 175.96 2wr3 h ARG 435 N 0.73 0.12 -0.15 1.92 3.08 -1.49 -2.84 114.38 115.75 2wr3 h ARG 435 Ca 0.23 -0.21 0.03 0.00 0.07 0.00 0.00 59.98 60.10 2wr3 h ARG 435 Cb 0.01 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 2wr3 h ARG 435 CO -0.06 0.92 -0.03 1.15 -1.07 0.00 0.00 179.97 180.88 2wr3 h THR 436 N 0.03 0.86 -0.06 2.04 2.02 -0.97 0.70 112.91 117.54 2wr3 h THR 436 Ca -0.21 -0.00 0.02 0.00 0.77 0.00 0.00 66.41 66.99 2wr3 h THR 436 Cb 1.96 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 69.19 2wr3 h THR 436 CO 0.13 0.00 -0.08 -0.07 0.37 0.00 0.00 175.52 175.87 2wr3 h LEU 437 N 0.01 -0.23 -1.95 2.58 3.38 -1.48 -2.46 115.31 115.17 2wr3 h LEU 437 Ca 0.07 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2wr3 h LEU 437 Cb 0.11 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 2wr3 h LEU 437 CO -0.15 -0.11 -0.09 0.44 0.09 0.00 0.00 178.44 178.62 2wr3 h ASP 438 N -0.10 0.00 0.36 -0.43 3.32 -1.32 -0.17 116.42 118.07 2wr3 h ASP 438 Ca 0.05 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 2wr3 h ASP 438 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2wr3 h ASP 438 CO -0.12 0.09 -0.18 0.15 -1.72 0.00 0.00 179.24 177.46 2wr3 h PHE 439 N 0.00 -0.45 -0.70 4.55 3.57 -0.44 -0.16 116.94 123.31 2wr3 h PHE 439 Ca -0.00 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.59 2wr3 h PHE 439 Cb 0.34 0.15 -0.08 0.00 2.79 0.00 0.00 35.95 39.15 2wr3 h PHE 439 CO 0.00 -0.13 0.33 0.45 -2.23 0.00 0.00 178.31 176.72 2wr3 h HIS 440 N -0.80 0.58 -0.21 0.41 3.86 -0.96 -0.03 115.15 118.00 2wr3 h HIS 440 Ca -0.05 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.23 2wr3 h HIS 440 Cb 0.53 -0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.80 2wr3 h HIS 440 CO 0.02 0.18 -0.06 0.22 0.86 0.00 0.00 177.93 179.15 2wr3 h ASP 441 N 0.55 -0.21 -0.56 2.45 -0.00 -0.96 -1.85 116.42 115.83 2wr3 h ASP 441 Ca 0.35 0.07 0.05 0.00 -0.00 0.00 0.00 57.03 57.50 2wr3 h ASP 441 Cb 0.41 0.14 -0.05 0.00 -0.00 0.00 0.00 39.33 39.83 2wr3 h ASP 441 CO -0.30 -0.08 0.29 -1.28 -0.00 0.00 0.00 179.24 177.87 2wr3 h SER 442 N -0.01 0.41 -0.63 2.28 0.87 -0.39 -1.43 113.55 114.64 2wr3 h SER 442 Ca 0.10 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 2wr3 h SER 442 Cb 0.17 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 2wr3 h SER 442 CO -0.22 0.27 0.41 0.78 -0.53 0.00 0.00 176.83 177.54 2wr3 h ASN 443 N 0.55 0.74 -0.38 6.23 2.35 -0.53 -0.31 115.58 124.22 2wr3 h ASN 443 Ca 0.25 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.94 2wr3 h ASN 443 Cb 0.17 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 2wr3 h ASN 443 CO -0.18 0.55 0.10 0.58 -1.65 0.00 0.00 177.43 176.83 2wr3 h VAL 444 N 0.86 1.22 -0.74 2.81 2.07 -1.03 -1.39 116.25 120.06 2wr3 h VAL 444 Ca 0.23 -0.76 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 2wr3 h VAL 444 Cb -0.08 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 2wr3 h VAL 444 CO -0.05 0.26 0.23 0.50 0.02 0.00 0.00 177.57 178.54 2wr3 h LYS 445 N 0.46 1.14 -0.10 1.57 3.64 -0.96 -1.44 116.57 120.89 2wr3 h LYS 445 Ca 0.12 -0.24 -0.10 0.00 -1.27 0.00 0.00 60.65 59.16 2wr3 h LYS 445 Cb 0.30 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2wr3 h LYS 445 CO 0.00 0.97 -0.39 -0.91 -2.27 0.00 0.00 179.45 176.86 2wr3 h ASN 446 N 1.09 0.22 -0.31 4.20 2.35 -0.96 -1.77 115.58 120.40 2wr3 h ASN 446 Ca 0.24 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.87 2wr3 h ASN 446 Cb 0.30 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 2wr3 h ASN 446 CO -0.01 0.59 0.08 0.25 -1.65 0.00 0.00 177.43 176.69 2wr3 h LEU 447 N 0.18 0.47 -0.65 1.61 5.85 -0.85 -0.99 115.31 120.92 2wr3 h LEU 447 Ca 0.02 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.58 2wr3 h LEU 447 Cb 0.77 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.61 2wr3 h LEU 447 CO 0.06 0.57 0.33 0.22 -0.34 0.00 0.00 178.44 179.28 2wr3 h TYR 448 N 0.34 0.59 -0.01 1.25 3.20 -1.02 -2.53 116.97 118.79 2wr3 h TYR 448 Ca 0.10 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.88 2wr3 h TYR 448 Cb 0.29 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 2wr3 h TYR 448 CO 0.01 0.25 -0.53 -0.44 -1.64 0.00 0.00 178.16 175.81 2wr3 h ASP 449 N 0.59 0.02 0.17 -2.11 3.32 -1.11 -2.01 116.42 115.30 2wr3 h ASP 449 Ca 0.30 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 2wr3 h ASP 449 Cb 0.26 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 2wr3 h ASP 449 CO -0.22 0.55 -0.05 0.11 -1.72 0.00 0.00 179.24 177.91 2wr3 h LYS 450 N 0.02 0.00 0.05 3.56 1.57 -0.74 -0.85 116.57 120.17 2wr3 h LYS 450 Ca -0.00 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.50 2wr3 h LYS 450 Cb 0.94 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.23 2wr3 h LYS 450 CO 0.07 0.05 -1.50 0.28 -0.57 0.00 0.00 179.45 177.78 2wr3 h VAL 451 N 0.00 0.84 -0.57 0.50 2.07 -1.30 -3.26 116.25 114.53 2wr3 h VAL 451 Ca -0.00 -2.25 0.05 0.00 0.82 0.00 0.00 66.70 65.32 2wr3 h VAL 451 Cb 0.15 2.37 -0.05 0.00 -1.52 0.00 0.00 31.29 32.24 2wr3 h VAL 451 CO 0.01 0.54 0.30 -0.09 0.02 0.00 0.00 177.57 178.34 2wr3 h ARG 452 N -0.59 0.55 0.00 1.57 2.43 -1.25 -0.69 114.38 116.40 2wr3 h ARG 452 Ca -0.36 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 2wr3 h ARG 452 Cb 1.58 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.01 2wr3 h ARG 452 CO -0.09 0.36 0.00 0.52 -1.51 0.00 0.00 179.97 179.25 2wr3 h MET 453 N 0.56 0.00 0.06 0.20 2.86 -1.34 -1.91 114.93 115.36 2wr3 h MET 453 Ca 0.26 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.61 2wr3 h MET 453 Cb 0.17 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.80 2wr3 h MET 453 CO -0.18 0.00 -1.55 0.37 1.06 0.00 0.00 176.91 176.61 2wr3 h GLN 454 N 0.00 0.12 0.06 1.72 4.15 -1.22 -3.38 115.11 116.55 2wr3 h GLN 454 Ca 0.00 -0.21 -0.35 0.00 0.77 0.00 0.00 58.65 58.86 2wr3 h GLN 454 Cb 0.53 0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.26 2wr3 h GLN 454 CO 0.00 0.89 -2.08 1.28 -1.93 0.00 0.00 178.83 176.99 2wr3 n LEU 455 N -3.30 2.04 0.00 -2.39 4.77 -0.46 -4.73 117.00 112.93 2wr3 n LEU 455 Ca -0.15 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2wr3 n LEU 455 Cb 1.03 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2wr3 n LEU 455 CO 0.47 0.73 0.00 0.54 -1.33 0.00 0.00 177.39 177.80 2wr3 n ARG 456 N -3.26 0.00 0.14 3.23 1.74 -0.72 -1.26 116.66 116.52 2wr3 n ARG 456 Ca -0.32 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 56.75 2wr3 n ARG 456 Cb 1.05 0.00 0.21 0.00 -1.02 0.00 0.00 32.46 32.69 2wr3 n ARG 456 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2wr3 h ASP 457 N 0.00 0.06 0.00 0.55 5.19 -1.94 -3.26 116.42 117.02 2wr3 h ASP 457 Ca 0.00 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 2wr3 h ASP 457 Cb 0.00 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.49 2wr3 h ASP 457 CO 0.00 0.60 0.00 0.59 -3.12 0.00 0.00 179.24 177.31 2wr3 n ASN 458 N -3.89 0.18 -4.08 6.45 4.13 -0.39 -4.67 115.26 112.99 2wr3 n ASN 458 Ca -0.02 0.58 -0.10 0.00 1.68 0.00 0.00 54.58 56.73 2wr3 n ASN 458 Cb 0.56 -0.60 -0.09 0.00 -1.54 0.00 0.00 39.78 38.11 2wr3 n ASN 458 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2wr3 s VAL 459 N -3.17 0.08 -0.13 2.41 -7.23 -1.23 -0.58 120.40 110.56 2wr3 s VAL 459 Ca -0.01 -1.70 -0.02 0.00 -1.81 0.00 0.00 61.98 58.44 2wr3 s VAL 459 Cb 0.02 -1.99 -0.02 0.00 0.56 0.00 0.00 36.38 34.95 2wr3 s VAL 459 CO 0.06 -0.37 -0.08 -0.75 -0.31 0.00 0.00 175.10 173.65 2wr3 s LYS 460 N -4.02 3.39 -0.30 4.82 2.20 -0.28 -4.85 119.74 120.70 2wr3 s LYS 460 Ca 0.22 -0.58 -0.29 0.00 -0.36 0.00 0.00 55.97 54.96 2wr3 s LYS 460 Cb 0.06 -2.75 0.00 0.00 -1.51 0.00 0.00 37.83 33.63 2wr3 s LYS 460 CO 0.02 0.32 1.24 -1.21 -0.36 0.00 0.00 175.35 175.36 2wr3 s GLU 461 N 0.12 3.96 -0.07 4.03 2.02 -1.26 -2.48 118.70 125.02 2wr3 s GLU 461 Ca -0.03 1.21 -0.09 0.00 0.02 0.00 0.00 54.97 56.08 2wr3 s GLU 461 Cb -0.14 -3.84 -0.29 0.00 0.10 0.00 0.00 34.13 29.96 2wr3 s GLU 461 CO 0.04 -1.06 0.57 -0.07 0.02 0.00 0.00 175.26 174.76 2wr3 h LEU 462 N 10.64 0.54 0.00 1.80 3.38 -1.52 -3.50 115.31 126.65 2wr3 h LEU 462 Ca -0.25 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 56.80 2wr3 h LEU 462 Cb 1.09 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2wr3 h LEU 462 CO 1.03 1.80 0.00 0.61 0.09 0.00 0.00 178.44 181.97 2wr3 n GLY 463 N 1.90 0.17 2.46 0.83 0.00 -1.26 -5.00 105.19 104.30 2wr3 n GLY 463 Ca -0.27 0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 2wr3 n GLY 463 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wr3 n ASN 464 N 0.00 3.57 -0.32 1.61 6.94 -1.26 -4.80 115.26 120.99 2wr3 n ASN 464 Ca 0.00 -3.42 -0.04 0.00 -0.02 0.00 0.00 54.58 51.11 2wr3 n ASN 464 Cb 0.00 -0.65 -0.01 0.00 -2.36 0.00 0.00 39.78 36.76 2wr3 n ASN 464 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wr3 n GLY 465 N 0.74 0.48 3.34 4.83 0.00 -1.26 -4.74 105.19 108.58 2wr3 n GLY 465 Ca 0.29 -0.85 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 2wr3 n GLY 465 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr3 s PHE 467 N -0.45 2.73 -0.28 0.00 0.40 0.11 -1.14 117.98 119.36 2wr3 s PHE 467 Ca 0.05 -0.77 -0.10 0.00 -0.60 0.00 0.00 56.93 55.52 2wr3 s PHE 467 Cb -0.12 -1.80 -0.03 0.00 0.51 0.00 0.00 43.02 41.58 2wr3 s PHE 467 CO 0.01 -0.27 0.15 -2.00 0.70 0.00 0.00 175.22 173.80 2wr3 s GLU 468 N 0.34 3.70 0.41 0.44 2.12 -1.03 -1.47 118.70 123.21 2wr3 s GLU 468 Ca -0.13 -0.48 -0.25 0.00 0.36 0.00 0.00 54.97 54.47 2wr3 s GLU 468 Cb -0.17 -3.54 -0.08 0.00 0.26 0.00 0.00 34.13 30.60 2wr3 s GLU 468 CO 0.07 -0.25 1.21 -0.06 -0.54 0.00 0.00 175.26 175.69 2wr3 s PHE 469 N 1.68 2.95 -0.54 5.30 0.40 -1.26 -1.12 117.98 125.39 2wr3 s PHE 469 Ca 0.06 1.51 -0.02 0.00 -0.60 0.00 0.00 56.93 57.88 2wr3 s PHE 469 Cb -0.16 -3.48 0.32 0.00 0.51 0.00 0.00 43.02 40.21 2wr3 s PHE 469 CO 0.08 -1.60 2.10 0.66 0.70 0.00 0.00 175.22 177.16 2wr3 n TYR 470 N 0.00 2.45 -3.62 0.36 0.53 0.26 -4.91 117.16 112.23 2wr3 n TYR 470 Ca 0.05 -2.48 -0.01 0.00 -1.02 0.00 0.00 57.90 54.44 2wr3 n TYR 470 Cb 0.46 -1.25 -0.01 0.00 -1.03 0.00 0.00 39.34 37.51 2wr3 n TYR 470 CO 0.00 0.00 0.00 -3.38 -1.02 0.00 0.00 176.86 172.46 2wr3 s HIS 471 N -2.93 -0.08 0.20 -0.72 -3.43 -1.26 -4.17 115.29 102.89 2wr3 s HIS 471 Ca 0.51 -0.02 -0.30 0.00 -0.80 0.00 0.00 55.06 54.45 2wr3 s HIS 471 Cb 0.40 0.54 -0.08 0.00 -1.43 0.00 0.00 32.58 32.01 2wr3 s HIS 471 CO -0.07 -0.29 1.03 -1.59 -2.00 0.00 0.00 174.74 171.82 2wr3 s LYS 472 N -2.49 4.69 -0.29 -0.38 0.00 -1.26 -5.02 119.74 114.99 2wr3 s LYS 472 Ca 0.12 1.62 -0.04 0.00 0.00 0.00 0.00 55.97 57.68 2wr3 s LYS 472 Cb 0.03 -3.28 0.10 0.00 0.00 0.00 0.00 37.83 34.67 2wr3 s LYS 472 CO -0.04 0.23 0.13 0.00 0.00 0.00 0.00 175.35 175.67 2wr3 s ASP 474 N 2.09 3.64 0.00 0.00 1.47 -1.26 -4.66 116.67 117.95 2wr3 s ASP 474 Ca 0.09 0.54 0.00 0.00 1.18 0.00 0.00 52.55 54.36 2wr3 s ASP 474 Cb -0.16 -0.81 0.00 0.00 -0.34 0.00 0.00 42.92 41.61 2wr3 s ASP 474 CO -0.36 -2.43 0.34 0.47 0.68 0.00 0.00 175.17 173.87 2wr3 n ASP 475 N -3.62 0.04 -0.08 2.11 8.00 -1.26 -0.81 116.55 120.93 2wr3 n ASP 475 Ca 0.12 -0.72 -0.12 0.00 0.71 0.00 0.00 54.79 54.78 2wr3 n ASP 475 Cb 0.60 -0.02 -0.08 0.00 -0.02 0.00 0.00 41.12 41.60 2wr3 n ASP 475 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2wr3 n GLU 476 N -0.41 0.41 -0.02 -1.24 -0.58 -1.26 -4.22 120.64 113.33 2wr3 n GLU 476 Ca 0.00 0.10 -0.12 0.00 -0.42 0.00 0.00 57.16 56.72 2wr3 n GLU 476 Cb 0.01 -1.32 -0.07 0.00 -0.57 0.00 0.00 31.44 29.49 2wr3 n GLU 476 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wr3 h MET 478 N -0.09 -0.11 -0.78 0.00 2.86 -1.31 -0.85 114.93 114.65 2wr3 h MET 478 Ca 0.03 0.01 0.17 0.00 -2.06 0.00 0.00 59.70 57.85 2wr3 h MET 478 Cb 0.27 0.03 -0.11 0.00 0.06 0.00 0.00 31.60 31.85 2wr3 h MET 478 CO 0.00 -0.07 0.23 -0.97 1.06 0.00 0.00 176.91 177.15 2wr3 h ASN 479 N -0.11 0.08 -0.54 1.22 -1.24 -1.64 0.49 115.58 113.84 2wr3 h ASN 479 Ca 0.27 0.15 -0.01 0.00 0.71 0.00 0.00 56.30 57.42 2wr3 h ASN 479 Cb 0.56 0.19 -0.03 0.00 0.73 0.00 0.00 38.32 39.77 2wr3 h ASN 479 CO -0.77 -0.03 0.32 0.77 -1.29 0.00 0.00 177.43 176.43 2wr3 h SER 480 N 0.30 0.67 0.73 1.15 4.64 -0.85 -0.56 113.55 119.63 2wr3 h SER 480 Ca 0.45 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.70 2wr3 h SER 480 Cb 0.79 -0.17 0.01 0.00 -0.31 0.00 0.00 62.40 62.72 2wr3 h SER 480 CO -0.52 0.52 -0.35 0.58 -0.87 0.00 0.00 176.83 176.19 2wr3 h VAL 481 N 0.77 0.08 -0.99 0.95 2.07 0.26 0.17 116.25 119.56 2wr3 h VAL 481 Ca 0.20 -0.25 0.21 0.00 0.82 0.00 0.00 66.70 67.68 2wr3 h VAL 481 Cb -0.01 0.11 -0.11 0.00 -1.52 0.00 0.00 31.29 29.75 2wr3 h VAL 481 CO -0.04 0.01 0.58 0.11 0.02 0.00 0.00 177.57 178.25 2wr3 h LYS 482 N -1.21 0.64 -0.97 1.57 1.57 -1.11 -1.23 116.57 115.84 2wr3 h LYS 482 Ca -0.10 -0.04 -0.54 0.00 -1.87 0.00 0.00 60.65 58.10 2wr3 h LYS 482 Cb 0.77 -0.15 -0.30 0.00 0.08 0.00 0.00 32.23 32.63 2wr3 h LYS 482 CO 0.16 0.43 0.66 0.27 -0.57 0.00 0.00 179.45 180.40 2wr3 n ASN 483 N -4.84 4.49 0.00 0.86 0.23 -0.24 -4.95 115.26 110.82 2wr3 n ASN 483 Ca 0.24 -3.66 0.00 0.00 -0.53 0.00 0.00 54.58 50.64 2wr3 n ASN 483 Cb 0.63 -0.85 0.00 0.00 -2.08 0.00 0.00 39.78 37.48 2wr3 n ASN 483 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wr3 n GLY 484 N -1.10 1.01 1.72 4.83 0.00 -0.46 -4.83 105.19 106.36 2wr3 n GLY 484 Ca 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.59 2wr3 n GLY 484 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wr3 n THR 485 N -2.00 2.37 -1.76 2.61 -2.24 0.52 -4.96 114.28 108.81 2wr3 n THR 485 Ca 0.00 -1.24 -0.42 0.00 -2.27 0.00 0.00 64.05 60.12 2wr3 n THR 485 Cb 0.00 -0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 67.79 2wr3 n THR 485 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2wr3 s TYR 486 N -2.46 2.91 -0.39 4.78 5.04 -0.77 -4.84 117.35 121.62 2wr3 s TYR 486 Ca 0.44 0.43 -0.18 0.00 -2.44 0.00 0.00 57.07 55.32 2wr3 s TYR 486 Cb 0.34 -4.11 0.01 0.00 0.35 0.00 0.00 41.96 38.56 2wr3 s TYR 486 CO 0.11 -4.12 0.47 0.34 -1.34 0.00 0.00 175.55 171.01 2wr3 s ASP 487 N 1.09 6.24 -0.01 4.32 2.15 -1.26 -4.98 116.67 124.22 2wr3 s ASP 487 Ca 0.73 -0.35 -0.18 0.00 0.43 0.00 0.00 52.55 53.18 2wr3 s ASP 487 Cb -0.49 -2.24 -0.10 0.00 -0.30 0.00 0.00 42.92 39.79 2wr3 s ASP 487 CO 0.34 -0.53 0.82 0.22 -0.17 0.00 0.00 175.17 175.86 2wr3 h TYR 488 N 8.61 -0.61 -0.93 -5.34 3.20 -1.93 -3.35 116.97 116.63 2wr3 h TYR 488 Ca -0.27 -0.01 0.23 0.00 3.14 0.00 0.00 58.73 61.81 2wr3 h TYR 488 Cb 1.12 0.20 -0.17 0.00 1.54 0.00 0.00 36.73 39.42 2wr3 h TYR 488 CO 0.68 -0.38 -0.06 -1.35 -1.64 0.00 0.00 178.16 175.41 2wr3 h PRO 489 N -1.05 0.03 -0.78 1.82 0.11 -1.98 -0.58 132.00 129.56 2wr3 h PRO 489 Ca -0.07 -0.00 0.15 0.00 0.11 0.00 0.00 66.00 66.19 2wr3 h PRO 489 Cb 0.50 -0.01 -0.15 0.00 0.11 0.00 0.00 31.00 31.46 2wr3 h PRO 489 CO 0.11 0.02 -0.23 -0.22 -0.21 0.00 0.00 178.00 177.47 2wr3 h LYS 490 N 0.03 -0.02 -2.32 1.05 3.64 -2.01 -3.17 116.57 113.77 2wr3 h LYS 490 Ca 0.52 0.00 -0.70 0.00 -1.27 0.00 0.00 60.65 59.19 2wr3 h LYS 490 Cb 0.96 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 32.60 2wr3 h LYS 490 CO -0.89 -0.01 1.47 0.66 -2.27 0.00 0.00 179.45 178.41 2wr3 n TYR 491 N -5.51 2.44 -1.51 1.91 4.01 -0.23 -4.79 117.16 113.49 2wr3 n TYR 491 Ca 0.10 -2.50 -0.40 0.00 -0.16 0.00 0.00 57.90 54.95 2wr3 n TYR 491 Cb 0.40 -1.51 -0.02 0.00 -0.31 0.00 0.00 39.34 37.90 2wr3 n TYR 491 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2wr3 n GLU 492 N 0.85 3.58 -3.82 -0.72 -0.58 -1.20 -4.82 120.64 113.93 2wr3 n GLU 492 Ca 0.55 -2.46 -0.35 0.00 -0.42 0.00 0.00 57.16 54.48 2wr3 n GLU 492 Cb 0.32 -2.91 -0.09 0.00 -0.57 0.00 0.00 31.44 28.19 2wr3 n GLU 492 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2wr3 s GLU 493 N 2.05 4.03 -0.70 3.49 2.02 -1.26 -5.04 118.70 123.29 2wr3 s GLU 493 Ca 0.62 -0.30 0.05 0.00 0.02 0.00 0.00 54.97 55.36 2wr3 s GLU 493 Cb 0.17 -3.37 0.21 0.00 0.10 0.00 0.00 34.13 31.24 2wr3 s GLU 493 CO -0.07 0.19 0.65 0.39 0.02 0.00 0.00 175.26 176.43 2wr3 n GLU 494 N 3.85 2.26 0.00 1.61 1.02 -1.26 -4.74 120.64 123.37 2wr3 n GLU 494 Ca -0.16 -4.58 0.00 0.00 -0.02 0.00 0.00 57.16 52.40 2wr3 n GLU 494 Cb 0.52 -2.29 0.02 0.00 -0.02 0.00 0.00 31.44 29.67 2wr3 n GLU 494 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2wr3 n SER 495 N 1.47 0.00 0.00 1.62 7.64 -1.26 -5.16 113.62 117.92 2wr3 n SER 495 Ca 0.25 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 59.41 2wr3 n SER 495 Cb 0.38 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 2wr3 n SER 495 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32