#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 -0.14 0.16 1.69 1.10 -0.39 -0.57 121.20 123.06 2wr3 s ILE 7 Ca 0.00 0.38 0.07 0.00 -0.51 0.00 0.00 60.65 60.58 2wr3 s ILE 7 Cb 0.00 -0.18 -0.04 0.00 0.15 0.00 0.00 42.46 42.39 2wr3 s ILE 7 CO 0.00 0.16 0.02 0.00 -2.11 0.00 0.00 174.94 173.00 2wr3 s ILE 9 N -1.67 4.21 0.32 0.00 -1.09 -0.74 -0.46 121.20 121.77 2wr3 s ILE 9 Ca 0.28 -0.48 -0.11 0.00 -2.23 0.00 0.00 60.65 58.10 2wr3 s ILE 9 Cb -0.10 -2.84 0.04 0.00 -1.58 0.00 0.00 42.46 37.99 2wr3 s ILE 9 CO 0.19 0.45 0.62 0.61 -1.23 0.00 0.00 174.94 175.58 2wr3 n GLY 10 N 1.64 1.30 3.14 6.18 0.00 0.06 -4.82 105.19 112.69 2wr3 n GLY 10 Ca -0.16 -1.26 -0.08 0.00 0.00 0.00 0.00 46.02 44.52 2wr3 n GLY 10 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wr3 s TYR 11 N -3.36 0.57 0.26 1.61 1.13 -1.26 -1.04 117.35 115.26 2wr3 s TYR 11 Ca 0.14 -1.04 -0.29 0.00 -1.41 0.00 0.00 57.07 54.47 2wr3 s TYR 11 Cb -0.04 -0.35 -0.09 0.00 -1.10 0.00 0.00 41.96 40.38 2wr3 s TYR 11 CO 0.11 -0.47 1.16 -1.58 -2.51 0.00 0.00 175.55 172.25 2wr3 s HIS 12 N -3.96 3.46 0.04 -3.49 5.65 0.36 -1.11 115.29 116.24 2wr3 s HIS 12 Ca 0.13 1.58 0.03 0.00 0.25 0.00 0.00 55.06 57.05 2wr3 s HIS 12 Cb 0.07 -3.39 -0.02 0.00 -1.18 0.00 0.00 32.58 28.06 2wr3 s HIS 12 CO -0.05 -0.94 -0.09 0.00 -0.65 0.00 0.00 174.74 173.01 2wr3 s ALA 13 N -0.82 0.73 0.00 1.58 0.00 -0.85 -4.64 121.76 117.76 2wr3 s ALA 13 Ca 0.48 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.70 2wr3 s ALA 13 Cb -0.33 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.75 2wr3 s ALA 13 CO 0.41 0.06 0.00 0.27 0.00 0.00 0.00 175.76 176.51 2wr3 n ASN 14 N 1.71 0.32 -1.68 0.00 0.23 -1.26 -4.05 115.26 110.53 2wr3 n ASN 14 Ca -0.20 -0.72 0.05 0.00 -0.53 0.00 0.00 54.58 53.17 2wr3 n ASN 14 Cb 0.55 0.00 0.33 0.00 -2.08 0.00 0.00 39.78 38.58 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 -1.92 4.90 -4.74 0.53 0.23 -1.26 -4.96 115.26 108.05 2wr3 n ASN 15 Ca 0.00 -2.80 -0.36 0.00 -0.53 0.00 0.00 54.58 50.89 2wr3 n ASN 15 Cb 0.00 -0.66 0.06 0.00 -2.08 0.00 0.00 39.78 37.10 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 -0.66 4.76 -0.12 0.53 0.15 -1.26 -4.96 113.70 112.14 2wr3 s SER 16 Ca 0.46 2.44 0.15 0.00 0.70 0.00 0.00 55.95 59.69 2wr3 s SER 16 Cb 0.35 -2.60 0.32 0.00 -1.71 0.00 0.00 66.02 62.38 2wr3 s SER 16 CO 0.13 -1.89 1.16 0.35 1.20 0.00 0.00 173.24 174.19 2wr3 n THR 17 N -2.00 1.38 -2.07 6.45 -2.24 -1.26 -4.89 114.28 109.65 2wr3 n THR 17 Ca 0.14 -2.07 -0.42 0.00 -2.27 0.00 0.00 64.05 59.43 2wr3 n THR 17 Cb 0.49 0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.80 2wr3 n THR 17 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2wr3 s GLU 18 N -2.05 4.29 -0.09 -0.78 8.01 -1.26 -4.93 118.70 121.88 2wr3 s GLU 18 Ca 0.30 2.20 0.00 0.00 0.01 0.00 0.00 54.97 57.49 2wr3 s GLU 18 Cb 0.29 -3.19 -0.03 0.00 -4.31 0.00 0.00 34.13 26.90 2wr3 s GLU 18 CO -0.05 -0.46 -0.09 0.15 0.01 0.00 0.00 175.26 174.82 2wr3 s LYS 19 N 0.67 2.98 0.29 1.61 -0.14 -1.26 -0.71 119.74 123.18 2wr3 s LYS 19 Ca 0.64 -0.60 0.05 0.00 -1.36 0.00 0.00 55.97 54.71 2wr3 s LYS 19 Cb -0.40 -2.61 -0.06 0.00 -1.68 0.00 0.00 37.83 33.08 2wr3 s LYS 19 CO 0.34 0.50 -0.00 0.14 -0.76 0.00 0.00 175.35 175.57 2wr3 s VAL 20 N -0.38 1.36 0.10 3.17 -7.23 -0.69 -4.89 120.40 111.85 2wr3 s VAL 20 Ca 0.05 -2.06 0.09 0.00 -1.81 0.00 0.00 61.98 58.25 2wr3 s VAL 20 Cb -0.12 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 2wr3 s VAL 20 CO 0.02 -0.19 -0.21 -1.81 -0.31 0.00 0.00 175.10 172.60 2wr3 s ASP 21 N -3.44 3.66 0.44 4.85 1.01 -1.26 -1.36 116.67 120.57 2wr3 s ASP 21 Ca 0.32 -0.58 0.05 0.00 0.71 0.00 0.00 52.55 53.05 2wr3 s ASP 21 Cb 0.06 -0.45 -0.05 0.00 1.01 0.00 0.00 42.92 43.48 2wr3 s ASP 21 CO 0.13 0.20 0.01 0.42 0.21 0.00 0.00 175.17 176.14 2wr3 s THR 22 N -1.04 1.65 0.39 -1.27 -4.23 -0.15 -4.43 115.64 106.56 2wr3 s THR 22 Ca 0.16 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.73 2wr3 s THR 22 Cb -0.10 -2.68 0.27 0.00 1.34 0.00 0.00 72.50 71.32 2wr3 s THR 22 CO 0.07 0.00 2.03 0.40 -0.54 0.00 0.00 174.62 176.58 2wr3 h ILE 23 N 1.63 1.10 0.00 2.99 1.08 -1.86 -3.23 117.51 119.23 2wr3 h ILE 23 Ca -0.44 -0.23 -0.31 0.00 -0.39 0.00 0.00 64.86 63.50 2wr3 h ILE 23 Cb 1.27 0.39 -0.06 0.00 -3.07 0.00 0.00 36.82 35.35 2wr3 h ILE 23 CO 0.78 0.12 -1.88 0.18 -0.69 0.00 0.00 178.15 176.65 2wr3 n LEU 24 N -4.46 0.64 -4.15 1.44 4.77 -1.26 -4.99 117.00 108.99 2wr3 n LEU 24 Ca 0.05 0.31 -0.16 0.00 -0.03 0.00 0.00 56.01 56.18 2wr3 n LEU 24 Cb 0.09 0.26 -0.11 0.00 -2.33 0.00 0.00 43.42 41.32 2wr3 n LEU 24 CO 0.35 0.41 -0.43 -1.61 -1.33 0.00 0.00 177.39 174.78 2wr3 s GLU 25 N -2.57 0.77 0.25 3.23 2.02 -1.22 -5.15 118.70 116.03 2wr3 s GLU 25 Ca -0.06 -0.98 0.07 0.00 0.02 0.00 0.00 54.97 54.02 2wr3 s GLU 25 Cb 0.07 -0.64 -0.04 0.00 0.10 0.00 0.00 34.13 33.63 2wr3 s GLU 25 CO 0.83 0.13 0.20 1.03 0.02 0.00 0.00 175.26 177.46 2wr3 s ARG 26 N -2.03 2.93 -1.08 1.61 1.81 -1.26 -0.97 118.95 119.96 2wr3 s ARG 26 Ca -0.01 -1.05 -0.27 0.00 -1.72 0.00 0.00 55.73 52.68 2wr3 s ARG 26 Cb -0.08 -2.57 0.04 0.00 -0.45 0.00 0.00 34.95 31.89 2wr3 s ARG 26 CO 0.01 0.40 0.50 0.09 -0.68 0.00 0.00 175.30 175.63 2wr3 n ASN 27 N -1.17 -2.91 -4.58 0.23 3.02 -1.23 -4.89 115.26 103.72 2wr3 n ASN 27 Ca -0.08 -1.13 -0.40 0.00 -0.03 0.00 0.00 54.58 52.95 2wr3 n ASN 27 Cb 0.58 -1.35 -0.09 0.00 -0.61 0.00 0.00 39.78 38.30 2wr3 n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wr3 s VAL 28 N -3.80 5.15 0.04 2.41 1.01 -0.46 -4.86 120.40 119.89 2wr3 s VAL 28 Ca 0.37 0.36 -0.30 0.00 0.00 0.00 0.00 61.98 62.40 2wr3 s VAL 28 Cb -0.21 -3.77 -0.07 0.00 0.00 0.00 0.00 36.38 32.33 2wr3 s VAL 28 CO 0.84 0.03 1.58 -0.89 0.00 0.00 0.00 175.10 176.66 2wr3 s THR 29 N 2.09 3.27 0.41 3.92 2.01 -1.25 -1.70 115.64 124.38 2wr3 s THR 29 Ca 0.14 0.67 0.07 0.00 0.31 0.00 0.00 61.69 62.89 2wr3 s THR 29 Cb -0.16 -3.43 -0.07 0.00 0.01 0.00 0.00 72.50 68.85 2wr3 s THR 29 CO 0.11 -0.01 0.09 -0.69 -0.69 0.00 0.00 174.62 173.43 2wr3 s VAL 30 N 2.70 2.18 -0.05 3.82 1.01 0.12 -1.48 120.40 128.70 2wr3 s VAL 30 Ca 0.71 -1.86 0.07 0.00 0.00 0.00 0.00 61.98 60.90 2wr3 s VAL 30 Cb -0.37 -2.98 -0.24 0.00 0.00 0.00 0.00 36.38 32.79 2wr3 s VAL 30 CO 0.30 -0.01 0.65 0.74 0.00 0.00 0.00 175.10 176.78 2wr3 h THR 31 N 1.61 0.87 -2.44 3.92 2.02 -1.59 -3.37 112.91 113.94 2wr3 h THR 31 Ca -0.43 -2.67 -0.08 0.00 0.77 0.00 0.00 66.41 63.99 2wr3 h THR 31 Cb 1.25 2.49 -0.20 0.00 -1.74 0.00 0.00 68.15 69.95 2wr3 h THR 31 CO 0.75 0.63 -0.02 -1.00 0.37 0.00 0.00 175.52 176.24 2wr3 s HIS 32 N -2.60 -0.49 0.02 3.16 3.76 -1.26 -4.84 115.29 113.04 2wr3 s HIS 32 Ca -0.08 0.93 -0.15 0.00 -0.15 0.00 0.00 55.06 55.61 2wr3 s HIS 32 Cb 0.08 0.26 0.02 0.00 1.11 0.00 0.00 32.58 34.05 2wr3 s HIS 32 CO 0.82 -0.46 0.31 0.00 -0.85 0.00 0.00 174.74 174.56 2wr3 s ALA 33 N -0.88 -0.75 -0.09 -1.40 0.00 -1.26 -1.13 121.76 116.25 2wr3 s ALA 33 Ca -0.09 0.17 0.02 0.00 0.00 0.00 0.00 51.96 52.05 2wr3 s ALA 33 Cb -0.03 0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.32 2wr3 s ALA 33 CO 0.06 -0.35 -0.13 0.21 0.00 0.00 0.00 175.76 175.55 2wr3 s LYS 34 N -2.00 1.89 0.07 0.00 2.20 -0.41 -4.91 119.74 116.58 2wr3 s LYS 34 Ca -0.09 -0.45 -0.30 0.00 -0.36 0.00 0.00 55.97 54.78 2wr3 s LYS 34 Cb -0.03 -1.63 -0.05 0.00 -1.51 0.00 0.00 37.83 34.61 2wr3 s LYS 34 CO 0.00 -0.05 0.96 0.34 -0.36 0.00 0.00 175.35 176.24 2wr3 s ASP 35 N 0.96 7.44 -0.10 1.43 2.15 -1.26 -1.08 116.67 126.21 2wr3 s ASP 35 Ca -0.08 1.73 0.14 0.00 0.43 0.00 0.00 52.55 54.77 2wr3 s ASP 35 Cb -0.15 -2.58 0.45 0.00 -0.30 0.00 0.00 42.92 40.35 2wr3 s ASP 35 CO -0.00 -0.13 1.37 2.30 -0.17 0.00 0.00 175.17 178.54 2wr3 n ILE 36 N 3.19 1.71 -3.74 4.11 -5.35 0.18 -4.89 119.36 114.58 2wr3 n ILE 36 Ca 0.03 -1.45 -0.37 0.00 -0.27 0.00 0.00 62.75 60.69 2wr3 n ILE 36 Cb 0.50 0.09 -0.12 0.00 -1.74 0.00 0.00 39.64 38.37 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 -1.98 3.90 -0.15 7.28 2.96 -1.25 -3.80 118.68 125.64 2wr3 s LEU 37 Ca 0.35 -0.69 -0.29 0.00 -0.22 0.00 0.00 54.13 53.28 2wr3 s LEU 37 Cb 0.25 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 45.02 2wr3 s LEU 37 CO 0.13 -0.20 1.35 -0.70 -1.32 0.00 0.00 176.35 175.62 2wr3 s GLU 38 N 1.52 4.19 -0.02 1.98 2.56 0.09 -4.90 118.70 124.13 2wr3 s GLU 38 Ca 0.03 1.75 0.03 0.00 0.00 0.00 0.00 54.97 56.78 2wr3 s GLU 38 Cb -0.17 -3.82 0.06 0.00 2.00 0.00 0.00 34.13 32.20 2wr3 s GLU 38 CO 0.03 -0.77 1.04 0.36 -0.56 0.00 0.00 175.26 175.36 2wr3 n LYS 39 N 6.78 2.76 -4.91 4.30 2.85 -1.26 -2.51 118.16 126.18 2wr3 n LYS 39 Ca 0.15 -1.69 -0.33 0.00 -1.05 0.00 0.00 58.31 55.39 2wr3 n LYS 39 Cb 0.44 -1.09 -0.13 0.00 -0.65 0.00 0.00 35.03 33.60 2wr3 n LYS 39 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2wr3 s THR 40 N -1.28 2.99 0.33 0.58 -4.23 -1.26 -4.84 115.64 107.92 2wr3 s THR 40 Ca 0.06 -0.74 0.06 0.00 -1.18 0.00 0.00 61.69 59.89 2wr3 s THR 40 Cb 0.05 -2.17 -0.07 0.00 1.34 0.00 0.00 72.50 71.65 2wr3 s THR 40 CO 0.01 0.58 -0.01 -1.38 -0.54 0.00 0.00 174.62 173.29 2wr3 s HIS 41 N -0.56 2.12 -2.43 3.99 -3.43 -1.26 -4.61 115.29 109.11 2wr3 s HIS 41 Ca 0.08 -0.76 0.22 0.00 -0.80 0.00 0.00 55.06 53.80 2wr3 s HIS 41 Cb -0.11 -1.34 0.50 0.00 -1.43 0.00 0.00 32.58 30.20 2wr3 s HIS 41 CO 0.01 0.25 1.44 0.27 -2.00 0.00 0.00 174.74 174.71 2wr3 n ASN 42 N -0.72 2.96 0.00 7.38 6.94 -0.66 -4.91 115.26 126.25 2wr3 n ASN 42 Ca -0.04 -1.92 0.00 0.00 -0.02 0.00 0.00 54.58 52.60 2wr3 n ASN 42 Cb 0.65 -0.21 0.00 0.00 -2.36 0.00 0.00 39.78 37.86 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 1.40 0.23 3.67 4.83 0.00 -1.26 -4.84 105.19 109.23 2wr3 n GLY 43 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.07 2.46 -0.17 1.61 1.02 -1.26 -4.74 119.74 117.60 2wr3 s LYS 44 Ca 0.00 -0.92 -0.20 0.00 0.02 0.00 0.00 55.97 54.86 2wr3 s LYS 44 Cb 0.00 -2.47 -0.03 0.00 -0.52 0.00 0.00 37.83 34.81 2wr3 s LYS 44 CO 0.00 0.52 0.60 -1.17 -0.92 0.00 0.00 175.35 174.38 2wr3 s LEU 45 N -2.45 4.18 0.44 3.17 0.20 -1.26 -2.05 118.68 120.92 2wr3 s LEU 45 Ca 0.26 0.86 0.03 0.00 0.69 0.00 0.00 54.13 55.96 2wr3 s LEU 45 Cb -0.11 -2.87 -0.03 0.00 -0.43 0.00 0.00 46.19 42.75 2wr3 s LEU 45 CO 0.18 -0.21 0.05 0.00 -0.29 0.00 0.00 176.35 176.08 2wr3 s ARG 47 N -3.80 4.25 -0.51 0.00 0.52 -1.22 -4.59 118.95 113.60 2wr3 s ARG 47 Ca 0.19 0.84 -0.18 0.00 -0.52 0.00 0.00 55.73 56.06 2wr3 s ARG 47 Cb 0.04 -2.95 0.07 0.00 0.52 0.00 0.00 34.95 32.62 2wr3 s ARG 47 CO 0.10 0.44 0.58 -1.17 0.02 0.00 0.00 175.30 175.27 2wr3 s LEU 48 N -1.82 5.19 -1.45 2.53 2.96 0.01 -1.58 118.68 124.51 2wr3 s LEU 48 Ca 0.40 -1.08 -0.10 0.00 -0.22 0.00 0.00 54.13 53.13 2wr3 s LEU 48 Cb -0.17 -2.37 0.04 0.00 0.50 0.00 0.00 46.19 44.19 2wr3 s LEU 48 CO 0.21 -0.86 0.95 -1.20 -1.32 0.00 0.00 176.35 174.13 2wr3 n SER 49 N 5.94 -5.66 0.00 3.68 7.64 -1.04 -2.16 113.62 122.02 2wr3 n SER 49 Ca -0.08 -0.55 0.00 0.00 1.01 0.00 0.00 58.87 59.25 2wr3 n SER 49 Cb 0.45 -4.51 0.00 0.00 -1.01 0.00 0.00 64.21 59.13 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 -1.75 1.74 3.52 0.23 0.00 -1.26 -5.04 105.19 102.63 2wr3 n GLY 50 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.40 4.07 0.78 -0.61 1.01 -0.92 -5.04 121.20 118.09 2wr3 s ILE 51 Ca 0.00 -0.29 -0.11 0.00 0.00 0.00 0.00 60.65 60.25 2wr3 s ILE 51 Cb 0.00 -2.80 0.06 0.00 0.01 0.00 0.00 42.46 39.73 2wr3 s ILE 51 CO 0.00 0.48 1.09 -2.16 0.00 0.00 0.00 174.94 174.34 2wr3 s PRO 52 N 0.44 2.18 0.46 2.79 0.04 -1.26 -0.81 135.00 138.83 2wr3 s PRO 52 Ca -0.02 0.85 -0.20 0.00 0.04 0.00 0.00 61.00 61.67 2wr3 s PRO 52 Cb -0.14 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.39 2wr3 s PRO 52 CO 0.02 -1.60 0.96 -1.25 0.04 0.00 0.00 177.00 175.17 2wr3 s PRO 53 N -5.04 4.13 -0.28 0.56 0.05 -1.26 -1.20 135.00 131.96 2wr3 s PRO 53 Ca 0.61 1.08 -0.29 0.00 0.05 0.00 0.00 61.00 62.45 2wr3 s PRO 53 Cb -0.15 -2.16 -0.00 0.00 0.05 0.00 0.00 34.50 32.23 2wr3 s PRO 53 CO 0.55 -0.11 1.30 -1.17 0.05 0.00 0.00 177.00 177.62 2wr3 s LEU 54 N -3.44 3.91 -0.29 -3.56 2.96 -0.20 -4.90 118.68 113.16 2wr3 s LEU 54 Ca 0.61 1.26 -0.14 0.00 -0.22 0.00 0.00 54.13 55.65 2wr3 s LEU 54 Cb -0.10 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.02 2wr3 s LEU 54 CO 0.18 -1.05 0.32 -1.61 -1.32 0.00 0.00 176.35 172.88 2wr3 s GLU 55 N 4.10 3.88 -0.11 1.98 2.02 -1.26 -1.37 118.70 127.94 2wr3 s GLU 55 Ca 0.56 -0.17 0.13 0.00 0.02 0.00 0.00 54.97 55.51 2wr3 s GLU 55 Cb -0.17 -3.70 0.58 0.00 0.10 0.00 0.00 34.13 30.94 2wr3 s GLU 55 CO 0.22 -0.32 1.45 1.28 0.02 0.00 0.00 175.26 177.91 2wr3 n LEU 56 N 5.27 4.01 0.00 1.80 4.77 -0.72 -4.99 117.00 127.14 2wr3 n LEU 56 Ca -0.10 -2.02 0.00 0.00 -0.03 0.00 0.00 56.01 53.86 2wr3 n LEU 56 Cb 0.51 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2wr3 n LEU 56 CO 0.37 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 2wr3 n GLY 57 N 0.86 1.98 2.57 -0.72 0.00 -1.26 0.35 105.19 108.97 2wr3 n GLY 57 Ca 0.20 0.42 -0.17 0.00 0.00 0.00 0.00 46.02 46.47 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 8.65 2.99 -4.90 1.61 5.75 -1.26 -4.33 116.55 125.06 2wr3 n ASP 58 Ca 0.00 -3.17 -0.23 0.00 -0.01 0.00 0.00 54.79 51.37 2wr3 n ASP 58 Cb 0.00 -0.49 -0.03 0.00 -1.03 0.00 0.00 41.12 39.56 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 -3.60 5.46 0.23 0.00 1.04 -0.86 -4.76 113.70 111.21 2wr3 s SER 60 Ca 0.33 0.33 -0.07 0.00 0.48 0.00 0.00 55.95 57.02 2wr3 s SER 60 Cb -0.09 -1.32 0.24 0.00 0.10 0.00 0.00 66.02 64.95 2wr3 s SER 60 CO 0.27 -1.06 1.89 0.40 0.98 0.00 0.00 173.24 175.72 2wr3 h ILE 61 N 0.01 1.17 -0.30 -1.02 5.03 -1.97 -1.95 117.51 118.48 2wr3 h ILE 61 Ca -0.44 -0.38 0.05 0.00 -0.12 0.00 0.00 64.86 63.96 2wr3 h ILE 61 Cb 1.28 -0.04 -0.05 0.00 -3.03 0.00 0.00 36.82 34.98 2wr3 h ILE 61 CO 0.57 0.20 0.01 0.00 -0.68 0.00 0.00 178.15 178.25 2wr3 h ALA 62 N 1.35 0.27 -0.93 1.87 0.00 -1.94 -1.13 119.26 118.75 2wr3 h ALA 62 Ca 0.34 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.37 2wr3 h ALA 62 Cb -0.04 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 2wr3 h ALA 62 CO -0.10 -0.40 0.60 0.78 0.00 0.00 0.00 179.25 180.13 2wr3 h GLY 63 N 0.10 1.38 0.63 0.00 0.00 -1.62 -1.40 103.07 102.15 2wr3 h GLY 63 Ca 0.14 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 2wr3 h GLY 63 CO -0.23 0.35 -0.11 -0.25 0.00 0.00 0.00 176.54 176.30 2wr3 h TRP 64 N 1.13 -0.29 -0.33 5.60 7.01 -1.01 0.46 115.95 128.52 2wr3 h TRP 64 Ca 0.38 -0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.32 2wr3 h TRP 64 Cb 0.07 0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.21 2wr3 h TRP 64 CO -0.01 0.05 -0.05 -0.07 -2.79 0.00 0.00 178.44 175.57 2wr3 h LEU 65 N -0.70 0.50 -0.06 0.65 3.38 -1.09 -2.63 115.31 115.36 2wr3 h LEU 65 Ca -0.03 -0.11 -0.22 0.00 0.09 0.00 0.00 57.88 57.61 2wr3 h LEU 65 Cb 0.48 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2wr3 h LEU 65 CO 0.05 0.61 -1.01 -0.07 0.09 0.00 0.00 178.44 178.12 2wr3 h LEU 66 N 0.50 0.11 -0.31 1.67 3.38 -1.33 -3.46 115.31 115.87 2wr3 h LEU 66 Ca 0.10 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2wr3 h LEU 66 Cb 0.41 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2wr3 h LEU 66 CO 0.02 1.04 0.00 0.61 0.09 0.00 0.00 178.44 180.20 2wr3 n GLY 67 N 1.26 0.93 3.60 0.83 0.00 -0.84 -1.37 105.19 109.60 2wr3 n GLY 67 Ca -0.02 -0.19 -0.52 0.00 0.00 0.00 0.00 46.02 45.29 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 0.35 1.80 -0.09 1.61 2.85 0.09 -0.45 115.26 121.42 2wr3 n ASN 68 Ca 0.00 1.11 0.26 0.00 -0.11 0.00 0.00 54.58 55.84 2wr3 n ASN 68 Cb 0.14 -1.20 0.72 0.00 1.24 0.00 0.00 39.78 40.68 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 4.86 0.00 0.00 1.20 0.11 -1.90 -0.30 132.00 135.97 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 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2wr3 h PRO 69 CO 0.80 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.98 2wr3 n GLU 70 N -4.08 0.06 -0.66 1.05 -0.58 -1.26 -2.86 120.64 112.31 2wr3 n GLU 70 Ca 0.15 0.07 0.09 0.00 -0.42 0.00 0.00 57.16 57.05 2wr3 n GLU 70 Cb 0.87 -1.50 0.36 0.00 -0.57 0.00 0.00 31.44 30.60 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 3.95 0.72 -0.37 0.00 3.45 -1.64 -3.12 116.42 119.40 2wr3 h ASP 72 Ca 0.00 -0.22 -0.25 0.00 0.43 0.00 0.00 57.03 56.99 2wr3 h ASP 72 Cb 1.55 -0.19 -0.11 0.00 -0.56 0.00 0.00 39.33 40.01 2wr3 h ASP 72 CO 0.28 0.87 0.32 0.54 -1.57 0.00 0.00 179.24 179.68 2wr3 n ARG 73 N -4.16 1.63 -0.08 3.56 1.74 -1.26 -4.70 116.66 113.38 2wr3 n ARG 73 Ca 0.01 -1.22 -0.15 0.00 -0.77 0.00 0.00 57.85 55.72 2wr3 n ARG 73 Cb 0.36 -1.48 -0.11 0.00 -1.02 0.00 0.00 32.46 30.21 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 2.64 0.00 -2.72 0.55 5.85 -1.91 -3.50 115.31 116.22 2wr3 h LEU 74 Ca 0.23 -0.72 0.00 0.00 0.84 0.00 0.00 57.88 58.22 2wr3 h LEU 74 Cb 0.93 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.96 2wr3 h LEU 74 CO 0.59 1.09 0.00 -0.11 -0.34 0.00 0.00 178.44 179.67 2wr3 n LEU 75 N -4.57 -1.81 -4.51 2.25 0.00 -1.26 -4.99 117.00 102.10 2wr3 n LEU 75 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 56.01 55.42 2wr3 n LEU 75 Cb 0.49 -0.91 -0.06 0.00 0.00 0.00 0.00 43.42 42.94 2wr3 n LEU 75 CO 0.26 0.00 0.47 -0.55 0.00 0.00 0.00 177.39 177.56 2wr3 s SER 76 N -0.60 6.33 0.73 1.96 0.15 -1.26 -4.87 113.70 116.14 2wr3 s SER 76 Ca 0.00 -0.38 -0.14 0.00 0.70 0.00 0.00 55.95 56.13 2wr3 s SER 76 Cb 0.00 -2.35 0.04 0.00 -1.71 0.00 0.00 66.02 62.00 2wr3 s SER 76 CO 0.00 -0.89 1.14 0.68 1.20 0.00 0.00 173.24 175.37 2wr3 s VAL 77 N 3.06 2.83 -2.38 4.45 -7.23 -1.26 -4.96 120.40 114.90 2wr3 s VAL 77 Ca 0.24 0.35 0.24 0.00 -1.81 0.00 0.00 61.98 61.01 2wr3 s VAL 77 Cb -0.14 -2.82 0.50 0.00 0.56 0.00 0.00 36.38 34.48 2wr3 s VAL 77 CO 0.19 -0.27 1.63 -0.81 -0.31 0.00 0.00 175.10 175.53 2wr3 n PRO 78 N -2.94 1.71 0.06 4.82 -0.05 -1.26 -4.80 135.00 132.55 2wr3 n PRO 78 Ca 0.11 -1.06 0.00 0.00 -0.05 0.00 0.00 63.50 62.50 2wr3 n PRO 78 Cb 0.52 -1.44 0.00 0.00 -0.05 0.00 0.00 33.50 32.53 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 0.28 0.00 -1.40 0.54 2.13 -1.26 -1.69 120.64 119.24 2wr3 n GLU 79 Ca 0.17 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.99 2wr3 n GLU 79 Cb 0.35 -0.14 0.00 0.00 0.27 0.00 0.00 31.44 31.91 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 -3.11 -2.13 0.20 4.31 2.14 -1.24 -3.55 117.44 114.07 2wr3 n TRP 80 Ca 0.00 1.13 0.04 0.00 2.07 0.00 0.00 57.50 60.73 2wr3 n TRP 80 Cb 0.00 -1.93 -0.05 0.00 -0.81 0.00 0.00 31.31 28.52 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 -0.64 1.62 -3.51 -0.67 3.41 -0.34 -2.97 113.62 110.53 2wr3 n SER 81 Ca 0.00 -0.38 -0.07 0.00 -0.26 0.00 0.00 58.87 58.16 2wr3 n SER 81 Cb 0.00 1.16 -0.00 0.00 -0.26 0.00 0.00 64.21 65.11 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 -2.10 -0.06 -0.07 7.33 -0.85 -1.25 -4.69 117.35 115.67 2wr3 s TYR 82 Ca 0.00 -0.44 0.04 0.00 -0.52 0.00 0.00 57.07 56.15 2wr3 s TYR 82 Cb 0.05 0.74 -0.02 0.00 0.38 0.00 0.00 41.96 43.12 2wr3 s TYR 82 CO 0.32 -1.27 -0.17 0.42 -1.52 0.00 0.00 175.55 173.34 2wr3 s ILE 83 N -3.18 2.80 -0.27 -3.49 1.01 -1.05 -1.03 121.20 115.98 2wr3 s ILE 83 Ca 0.13 -0.80 -0.09 0.00 0.00 0.00 0.00 60.65 59.89 2wr3 s ILE 83 Cb -0.05 -2.09 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 2wr3 s ILE 83 CO 0.08 0.57 0.12 -0.69 0.00 0.00 0.00 174.94 175.02 2wr3 s VAL 84 N -0.38 4.69 0.04 2.92 1.01 -0.47 0.14 120.40 128.34 2wr3 s VAL 84 Ca 0.04 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 61.97 2wr3 s VAL 84 Cb -0.12 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 2wr3 s VAL 84 CO 0.02 0.27 -0.12 -0.70 0.00 0.00 0.00 175.10 174.58 2wr3 s GLU 85 N 1.66 0.77 0.65 2.72 2.12 -0.99 -1.76 118.70 123.88 2wr3 s GLU 85 Ca 0.06 -0.69 -0.14 0.00 0.36 0.00 0.00 54.97 54.56 2wr3 s GLU 85 Cb -0.16 -0.72 -0.01 0.00 0.26 0.00 0.00 34.13 33.50 2wr3 s GLU 85 CO 0.06 0.17 1.08 0.15 -0.54 0.00 0.00 175.26 176.19 2wr3 s LYS 86 N -1.13 2.99 0.10 4.30 1.02 -1.26 -2.25 119.74 123.51 2wr3 s LYS 86 Ca -0.01 1.22 -0.26 0.00 0.02 0.00 0.00 55.97 56.93 2wr3 s LYS 86 Cb -0.08 -1.99 -0.09 0.00 -0.52 0.00 0.00 37.83 35.15 2wr3 s LYS 86 CO 0.01 -1.07 1.44 1.49 -0.92 0.00 0.00 175.35 176.29 2wr3 h GLU 87 N -0.03 -0.36 -4.11 1.68 4.57 -1.90 -3.34 114.58 111.09 2wr3 h GLU 87 Ca -0.46 0.02 -0.67 0.00 -1.18 0.00 0.00 59.36 57.07 2wr3 h GLU 87 Cb 1.23 0.08 -0.38 0.00 -0.16 0.00 0.00 28.75 29.52 2wr3 h GLU 87 CO 0.56 -0.24 -0.58 1.21 -1.18 0.00 0.00 179.01 178.77 2wr3 s ASN 88 N -4.49 4.89 0.57 1.04 2.47 -1.26 -5.11 114.94 113.05 2wr3 s ASN 88 Ca -0.12 -2.46 -0.19 0.00 0.42 0.00 0.00 52.86 50.51 2wr3 s ASN 88 Cb 0.06 -1.73 -0.05 0.00 -1.45 0.00 0.00 41.25 38.08 2wr3 s ASN 88 CO 0.49 -0.39 1.14 -2.84 -3.72 0.00 0.00 177.10 171.77 2wr3 s PRO 89 N 0.49 3.22 0.10 0.43 0.02 -1.25 -4.96 135.00 133.05 2wr3 s PRO 89 Ca 0.13 1.60 0.23 0.00 0.02 0.00 0.00 61.00 62.98 2wr3 s PRO 89 Cb -0.22 -1.99 0.12 0.00 0.02 0.00 0.00 34.50 32.43 2wr3 s PRO 89 CO -0.04 -0.95 1.10 -2.37 -0.33 0.00 0.00 177.00 174.41 2wr3 n THR 90 N -1.51 0.31 -3.83 0.99 5.66 -0.95 -4.69 114.28 110.26 2wr3 n THR 90 Ca 0.12 -0.32 -0.30 0.00 -3.05 0.00 0.00 64.05 60.50 2wr3 n THR 90 Cb 0.51 -0.01 -0.14 0.00 -1.55 0.00 0.00 70.33 69.14 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 -4.32 3.99 0.00 1.09 0.01 -0.92 -5.02 114.94 109.76 2wr3 s ASN 91 Ca 0.03 -2.81 0.00 0.00 -0.71 0.00 0.00 52.86 49.37 2wr3 s ASN 91 Cb 0.13 -1.34 0.00 0.00 0.41 0.00 0.00 41.25 40.45 2wr3 s ASN 91 CO 0.78 -0.25 0.00 0.61 -1.51 0.00 0.00 177.10 176.73 2wr3 n GLY 92 N 3.34 1.23 3.56 0.66 0.00 -1.26 -2.03 105.19 110.68 2wr3 n GLY 92 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 3.20 0.18 0.99 1.43 -1.26 -4.20 118.68 119.02 2wr3 s LEU 93 Ca 0.00 -0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 52.80 2wr3 s LEU 93 Cb 0.00 -2.55 0.09 0.00 0.03 0.00 0.00 46.19 43.77 2wr3 s LEU 93 CO 0.00 -2.67 1.73 0.00 0.23 0.00 0.00 176.35 175.64 2wr3 s TYR 95 N -5.49 3.54 0.34 0.00 5.04 -1.26 -4.62 117.35 114.90 2wr3 s TYR 95 Ca -0.13 1.34 -0.29 0.00 -2.44 0.00 0.00 57.07 55.55 2wr3 s TYR 95 Cb 0.14 -2.94 -0.11 0.00 0.35 0.00 0.00 41.96 39.40 2wr3 s TYR 95 CO 0.81 -0.04 1.49 -2.14 -1.34 0.00 0.00 175.55 174.33 2wr3 s PRO 96 N 1.30 4.15 0.00 4.97 0.02 -1.26 -4.77 135.00 139.41 2wr3 s PRO 96 Ca 0.40 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.94 2wr3 s PRO 96 Cb -0.18 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.34 2wr3 s PRO 96 CO 0.18 -0.51 0.00 0.41 -0.33 0.00 0.00 177.00 176.75 2wr3 n GLY 97 N 1.06 -0.67 3.34 0.52 0.00 -1.26 -1.07 105.19 107.12 2wr3 n GLY 97 Ca 0.03 -0.83 -0.19 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 1.58 -0.23 1.61 1.04 -0.96 -4.93 113.70 107.81 2wr3 s SER 98 Ca 0.00 -1.55 -0.03 0.00 0.48 0.00 0.00 55.95 54.84 2wr3 s SER 98 Cb 0.00 0.37 0.08 0.00 0.10 0.00 0.00 66.02 66.57 2wr3 s SER 98 CO 0.00 -0.88 0.08 0.12 0.98 0.00 0.00 173.24 173.54 2wr3 s PHE 99 N -3.59 0.75 0.15 5.02 5.36 -1.26 -1.98 117.98 122.42 2wr3 s PHE 99 Ca 0.35 -0.85 -0.34 0.00 -0.96 0.00 0.00 56.93 55.13 2wr3 s PHE 99 Cb 0.05 -1.01 -0.15 0.00 -0.34 0.00 0.00 43.02 41.57 2wr3 s PHE 99 CO 0.17 -0.67 1.51 0.09 -1.46 0.00 0.00 175.22 174.86 2wr3 n ASN 100 N 5.13 2.73 -3.92 6.13 3.02 0.42 -2.21 115.26 126.55 2wr3 n ASN 100 Ca -0.07 1.09 -0.27 0.00 -0.03 0.00 0.00 54.58 55.31 2wr3 n ASN 100 Cb 0.46 -1.37 0.00 0.00 -0.61 0.00 0.00 39.78 38.26 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 3.14 -1.93 -0.06 6.41 8.00 -1.26 -4.66 116.55 126.19 2wr3 n ASP 101 Ca 0.17 -0.91 -0.10 0.00 0.71 0.00 0.00 54.79 54.66 2wr3 n ASP 101 Cb 0.27 -3.45 -0.03 0.00 -0.02 0.00 0.00 41.12 37.89 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 -1.85 0.29 -0.67 1.24 3.20 -1.84 -1.99 116.97 115.36 2wr3 h TYR 102 Ca -0.61 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.24 2wr3 h TYR 102 Cb 1.37 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 39.51 2wr3 h TYR 102 CO 0.52 0.21 0.31 0.93 -1.64 0.00 0.00 178.16 178.49 2wr3 h GLU 103 N 0.29 0.96 -0.55 1.82 3.07 -1.90 -0.32 114.58 117.95 2wr3 h GLU 103 Ca 0.08 -0.13 -0.09 0.00 -0.50 0.00 0.00 59.36 58.72 2wr3 h GLU 103 Cb -0.01 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.71 2wr3 h GLU 103 CO -0.02 0.75 -0.02 0.93 -1.40 0.00 0.00 179.01 179.25 2wr3 h GLU 104 N 0.95 0.96 -0.33 2.33 4.39 -1.90 -0.30 114.58 120.67 2wr3 h GLU 104 Ca 0.23 -0.30 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 2wr3 h GLU 104 Cb 0.11 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2wr3 h GLU 104 CO -0.03 0.96 0.08 1.25 -1.16 0.00 0.00 179.01 180.11 2wr3 h LEU 105 N 0.88 0.50 -0.76 1.33 5.85 -0.56 -2.30 115.31 120.23 2wr3 h LEU 105 Ca 0.16 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 2wr3 h LEU 105 Cb 0.54 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 2wr3 h LEU 105 CO 0.03 0.60 0.47 0.11 -0.34 0.00 0.00 178.44 179.31 2wr3 h LYS 106 N 0.37 1.03 -0.36 1.25 1.57 -0.96 -2.24 116.57 117.23 2wr3 h LYS 106 Ca 0.10 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2wr3 h LYS 106 Cb 0.29 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2wr3 h LYS 106 CO 0.00 0.72 0.13 1.25 -0.57 0.00 0.00 179.45 180.99 2wr3 h HIS 107 N 1.04 0.51 0.10 -1.35 2.76 -0.87 -2.69 115.15 114.65 2wr3 h HIS 107 Ca 0.27 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.42 2wr3 h HIS 107 Cb -0.05 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 28.75 2wr3 h HIS 107 CO -0.01 0.41 -0.05 1.25 -1.30 0.00 0.00 177.93 178.24 2wr3 h LEU 108 N 0.51 -0.11 0.00 0.26 6.46 -0.85 -2.97 115.31 118.61 2wr3 h LEU 108 Ca 0.13 -0.28 0.00 0.00 -0.12 0.00 0.00 57.88 57.61 2wr3 h LEU 108 Cb 0.13 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.08 2wr3 h LEU 108 CO -0.01 0.22 0.00 0.18 -0.62 0.00 0.00 178.44 178.21 2wr3 n LEU 109 N -5.00 0.00 -0.21 2.25 4.77 -0.93 -4.01 117.00 113.87 2wr3 n LEU 109 Ca -0.08 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.89 2wr3 n LEU 109 Cb 0.20 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.51 2wr3 n LEU 109 CO 0.32 0.00 1.17 0.00 -1.33 0.00 0.00 177.39 177.55 2wr3 h THR 110 N 0.00 1.21 -3.00 -5.08 1.03 -1.31 -3.44 112.91 102.32 2wr3 h THR 110 Ca 0.00 -0.50 -0.14 0.00 -0.01 0.00 0.00 66.41 65.76 2wr3 h THR 110 Cb 0.00 0.23 -0.23 0.00 -1.07 0.00 0.00 68.15 67.07 2wr3 h THR 110 CO 0.00 0.23 -0.33 -0.55 -0.01 0.00 0.00 175.52 174.86 2wr3 s SER 111 N -6.40 -0.28 -0.15 0.00 0.15 -1.26 -3.79 113.70 101.97 2wr3 s SER 111 Ca -0.11 0.46 -0.14 0.00 0.70 0.00 0.00 55.95 56.86 2wr3 s SER 111 Cb 0.17 0.54 0.04 0.00 -1.71 0.00 0.00 66.02 65.06 2wr3 s SER 111 CO 0.79 -0.21 0.41 -0.69 1.20 0.00 0.00 173.24 174.74 2wr3 s VAL 112 N -0.29 0.00 -0.05 4.45 1.01 -1.16 -4.75 120.40 119.61 2wr3 s VAL 112 Ca -0.04 -0.02 0.13 0.00 0.00 0.00 0.00 61.98 62.05 2wr3 s VAL 112 Cb -0.03 -0.58 -0.16 0.00 0.00 0.00 0.00 36.38 35.61 2wr3 s VAL 112 CO 0.01 -0.01 0.90 0.71 0.00 0.00 0.00 175.10 176.72 2wr3 h THR 113 N 4.47 0.88 -1.58 3.92 1.35 -0.99 -3.39 112.91 117.56 2wr3 h THR 113 Ca -0.27 -2.53 0.08 0.00 -0.55 0.00 0.00 66.41 63.13 2wr3 h THR 113 Cb 1.18 2.36 -0.26 0.00 -1.73 0.00 0.00 68.15 69.70 2wr3 h THR 113 CO 0.26 0.50 0.43 -2.28 -0.25 0.00 0.00 175.52 174.18 2wr3 s HIS 114 N -2.76 -0.51 -0.20 4.73 5.65 -1.23 -4.67 115.29 116.30 2wr3 s HIS 114 Ca -0.02 1.16 -0.04 0.00 0.25 0.00 0.00 55.06 56.41 2wr3 s HIS 114 Cb 0.08 0.37 0.10 0.00 -1.18 0.00 0.00 32.58 31.96 2wr3 s HIS 114 CO 0.81 -0.25 0.31 0.12 -0.65 0.00 0.00 174.74 175.08 2wr3 s PHE 115 N 0.56 -0.57 -0.10 3.88 2.19 -0.68 -1.78 117.98 121.48 2wr3 s PHE 115 Ca -0.00 0.72 -0.01 0.00 0.33 0.00 0.00 56.93 57.97 2wr3 s PHE 115 Cb -0.05 -0.09 0.03 0.00 -1.31 0.00 0.00 43.02 41.60 2wr3 s PHE 115 CO -0.09 -0.59 -0.05 -2.00 1.83 0.00 0.00 175.22 174.31 2wr3 s GLU 116 N 2.46 1.26 0.63 10.12 2.12 -0.66 -4.64 118.70 129.99 2wr3 s GLU 116 Ca 0.07 -0.15 -0.15 0.00 0.36 0.00 0.00 54.97 55.10 2wr3 s GLU 116 Cb -0.15 -1.41 -0.02 0.00 0.26 0.00 0.00 34.13 32.82 2wr3 s GLU 116 CO -0.13 -0.28 1.09 0.21 -0.54 0.00 0.00 175.26 175.61 2wr3 s LYS 117 N 1.78 3.02 -0.27 4.30 2.20 -1.26 -0.38 119.74 129.14 2wr3 s LYS 117 Ca 0.05 1.30 -0.25 0.00 -0.36 0.00 0.00 55.97 56.70 2wr3 s LYS 117 Cb -0.12 -1.99 0.08 0.00 -1.51 0.00 0.00 37.83 34.29 2wr3 s LYS 117 CO -0.07 -1.06 0.77 -1.50 -0.36 0.00 0.00 175.35 173.13 2wr3 s ILE 118 N -2.41 0.00 -0.05 5.43 2.07 -0.78 -4.88 121.20 120.57 2wr3 s ILE 118 Ca 0.65 0.00 -0.23 0.00 -1.41 0.00 0.00 60.65 59.67 2wr3 s ILE 118 Cb -0.18 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.37 2wr3 s ILE 118 CO 0.40 0.00 0.67 -0.75 -1.91 0.00 0.00 174.94 173.35 2wr3 s LYS 119 N 0.31 4.42 0.00 3.50 2.20 -1.26 -0.89 119.74 128.01 2wr3 s LYS 119 Ca 0.00 0.83 0.00 0.00 -0.36 0.00 0.00 55.97 56.44 2wr3 s LYS 119 Cb -0.05 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 32.85 2wr3 s LYS 119 CO -0.00 0.14 0.00 0.44 -0.36 0.00 0.00 175.35 175.57 2wr3 n ILE 120 N 3.51 0.00 -3.24 5.43 -5.35 -0.47 -4.90 119.36 114.34 2wr3 n ILE 120 Ca -0.03 0.00 -0.22 0.00 -0.27 0.00 0.00 62.75 62.23 2wr3 n ILE 120 Cb 0.51 0.10 -0.07 0.00 -1.74 0.00 0.00 39.64 38.44 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 -0.51 -0.98 -4.57 7.28 4.77 -0.86 -4.89 117.00 117.25 2wr3 n LEU 121 Ca 0.00 -4.14 -0.52 0.00 -0.03 0.00 0.00 56.01 51.32 2wr3 n LEU 121 Cb 0.02 0.61 -0.06 0.00 -2.33 0.00 0.00 43.42 41.66 2wr3 n LEU 121 CO 0.00 1.91 0.77 -2.65 -1.33 0.00 0.00 177.39 176.08 2wr3 n PRO 122 N 2.63 0.94 -0.04 3.23 -0.02 -1.26 -4.42 135.00 136.05 2wr3 n PRO 122 Ca 0.26 0.34 0.02 0.00 -2.02 0.00 0.00 63.50 62.10 2wr3 n PRO 122 Cb 0.50 -1.90 0.36 0.00 -0.02 0.00 0.00 33.50 32.45 2wr3 n PRO 122 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 2wr3 h ARG 123 N 3.85 0.63 0.00 -0.52 0.11 -1.93 -2.95 114.38 113.56 2wr3 h ARG 123 Ca -0.46 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.56 2wr3 h ARG 123 Cb 1.36 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 32.30 2wr3 h ARG 123 CO 0.73 0.45 0.00 0.38 0.10 0.00 0.00 179.97 181.63 2wr3 h ASP 124 N 0.64 0.00 -0.38 0.08 -0.00 -2.01 -2.30 116.42 112.46 2wr3 h ASP 124 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.20 2wr3 h ASP 124 Cb -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 2wr3 h ASP 124 CO -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 179.24 179.21 2wr3 n GLN 125 N -2.64 2.25 -1.79 4.15 6.02 -1.12 -3.99 117.38 120.27 2wr3 n GLN 125 Ca -0.02 -1.52 -0.40 0.00 -0.01 0.00 0.00 57.00 55.05 2wr3 n GLN 125 Cb 0.06 -1.47 -0.01 0.00 1.02 0.00 0.00 30.24 29.84 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 0.59 2.56 -0.34 1.08 7.02 -0.87 -4.76 117.44 122.72 2wr3 n TRP 126 Ca 0.14 -2.91 0.18 0.00 -1.02 0.00 0.00 57.50 53.89 2wr3 n TRP 126 Cb 0.45 -2.04 0.39 0.00 -2.42 0.00 0.00 31.31 27.69 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 2.75 0.51 -0.05 -0.99 1.03 -1.86 -1.92 112.91 112.37 2wr3 h THR 127 Ca 0.75 -0.19 0.00 0.00 -0.01 0.00 0.00 66.41 66.96 2wr3 h THR 127 Cb 0.30 -0.09 0.00 0.00 -1.07 0.00 0.00 68.15 67.30 2wr3 h THR 127 CO 1.58 0.10 0.00 0.00 -0.01 0.00 0.00 175.52 177.19 2wr3 n GLN 128 N -4.91 1.69 -4.42 0.00 6.02 -1.26 -4.92 117.38 109.58 2wr3 n GLN 128 Ca 0.27 -1.01 -0.20 0.00 -0.01 0.00 0.00 57.00 56.05 2wr3 n GLN 128 Cb 0.76 -1.46 -0.10 0.00 1.02 0.00 0.00 30.24 30.46 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 -1.95 1.86 0.18 1.08 3.76 -0.72 -4.51 115.29 114.98 2wr3 s HIS 129 Ca 0.37 -1.02 -0.10 0.00 -0.15 0.00 0.00 55.06 54.16 2wr3 s HIS 129 Cb 0.20 -1.19 -0.07 0.00 1.11 0.00 0.00 32.58 32.64 2wr3 s HIS 129 CO 0.32 -0.09 0.50 0.99 -0.85 0.00 0.00 174.74 175.61 2wr3 s THR 130 N -3.41 4.98 0.00 1.30 2.01 0.48 -4.91 115.64 116.09 2wr3 s THR 130 Ca 0.37 0.47 0.00 0.00 0.31 0.00 0.00 61.69 62.84 2wr3 s THR 130 Cb 0.08 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.95 2wr3 s THR 130 CO 0.15 0.06 0.39 1.07 -0.69 0.00 0.00 174.62 175.60 2wr3 n THR 131 N 0.23 0.15 0.03 -0.82 5.66 -1.26 -1.40 114.28 116.87 2wr3 n THR 131 Ca -0.02 -0.25 0.01 0.00 -3.05 0.00 0.00 64.05 60.74 2wr3 n THR 131 Cb 0.52 1.30 0.03 0.00 -1.55 0.00 0.00 70.33 70.63 2wr3 n THR 131 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2wr3 n THR 132 N -0.07 0.51 -1.68 1.09 -2.24 -1.26 -4.90 114.28 105.72 2wr3 n THR 132 Ca 0.00 -0.76 -0.41 0.00 -2.27 0.00 0.00 64.05 60.61 2wr3 n THR 132 Cb 0.27 0.77 0.01 0.00 -2.10 0.00 0.00 70.33 69.28 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 -0.05 0.41 0.00 3.38 0.00 -1.26 -4.99 105.19 102.68 2wr3 n GLY 133 Ca 0.02 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 0.88 3.16 3.31 -0.02 0.00 -1.26 -4.86 105.19 106.40 2wr3 n GLY 134 Ca 0.07 -1.30 -0.13 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.63 -0.27 0.18 1.61 0.15 -0.22 -4.84 113.70 109.68 2wr3 s SER 135 Ca 0.00 0.03 0.23 0.00 0.70 0.00 0.00 55.95 56.91 2wr3 s SER 135 Cb 0.00 0.40 0.90 0.00 -1.71 0.00 0.00 66.02 65.61 2wr3 s SER 135 CO 0.00 -0.62 1.70 -1.14 1.20 0.00 0.00 173.24 174.38 2wr3 n ARG 136 N 0.66 0.16 0.20 5.44 3.00 -1.26 -1.92 116.66 122.93 2wr3 n ARG 136 Ca -0.19 0.31 0.05 0.00 -0.00 0.00 0.00 57.85 58.03 2wr3 n ARG 136 Cb 0.59 -1.76 0.40 0.00 0.00 0.00 0.00 32.46 31.69 2wr3 n ARG 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wr3 h ALA 137 N 2.43 1.15 -0.82 5.13 0.00 -1.89 -2.82 119.26 122.43 2wr3 h ALA 137 Ca 0.00 -0.32 -0.57 0.00 0.00 0.00 0.00 54.91 54.02 2wr3 h ALA 137 Cb 0.44 -0.06 -0.34 0.00 0.00 0.00 0.00 17.79 17.83 2wr3 h ALA 137 CO 0.00 0.43 -0.01 0.00 0.00 0.00 0.00 179.25 179.67 2wr3 s ALA 139 N -3.66 3.25 -0.75 0.00 0.00 -1.07 -3.35 121.76 116.18 2wr3 s ALA 139 Ca 0.56 0.99 0.04 0.00 0.00 0.00 0.00 51.96 53.55 2wr3 s ALA 139 Cb 0.45 -3.38 0.19 0.00 0.00 0.00 0.00 23.12 20.38 2wr3 s ALA 139 CO 0.02 -0.47 0.58 1.33 0.00 0.00 0.00 175.76 177.21 2wr3 n VAL 140 N 0.37 2.00 -0.57 0.00 0.24 -1.05 -4.92 118.33 114.39 2wr3 n VAL 140 Ca 0.03 -4.95 0.00 0.00 -2.04 0.00 0.00 64.34 57.37 2wr3 n VAL 140 Cb 0.46 -2.22 0.00 0.00 -1.47 0.00 0.00 33.84 30.60 2wr3 n VAL 140 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2wr3 n SER 141 N 1.94 0.00 -2.74 -1.34 3.41 -1.26 -3.65 113.62 109.99 2wr3 n SER 141 Ca 0.21 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.78 2wr3 n SER 141 Cb 0.36 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.37 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 0.27 1.66 3.92 5.00 0.00 -1.26 -5.14 105.19 109.64 2wr3 n GLY 142 Ca 0.00 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.98 6.41 0.27 1.61 -0.87 -1.24 -5.04 114.94 113.11 2wr3 s ASN 143 Ca 0.25 0.42 -0.30 0.00 -1.57 0.00 0.00 52.86 51.66 2wr3 s ASN 143 Cb 0.40 -2.02 -0.13 0.00 -0.02 0.00 0.00 41.25 39.47 2wr3 s ASN 143 CO -0.02 0.04 1.28 -2.65 -2.57 0.00 0.00 177.10 173.18 2wr3 n PRO 144 N -0.18 1.86 0.00 -0.60 -0.02 -1.26 -2.52 135.00 132.28 2wr3 n PRO 144 Ca -0.04 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2wr3 n PRO 144 Cb 0.52 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 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 1.57 0.01 -3.57 2.55 2.88 -0.81 -4.67 113.62 111.59 2wr3 n SER 145 Ca 0.10 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.58 2wr3 n SER 145 Cb 0.32 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.76 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 0.12 -0.20 -0.25 0.66 5.36 -1.24 -1.06 117.98 121.37 2wr3 s PHE 146 Ca 0.00 0.11 -0.41 0.00 -0.96 0.00 0.00 56.93 55.67 2wr3 s PHE 146 Cb 0.00 0.53 -0.17 0.00 -0.34 0.00 0.00 43.02 43.04 2wr3 s PHE 146 CO 0.00 -0.33 1.61 1.19 -1.46 0.00 0.00 175.22 176.23 2wr3 n PHE 147 N -0.16 1.81 0.31 10.12 3.01 -1.26 -4.60 117.46 126.68 2wr3 n PHE 147 Ca -0.03 0.73 0.15 0.00 1.01 0.00 0.00 57.45 59.31 2wr3 n PHE 147 Cb 0.60 -2.36 0.50 0.00 -0.01 0.00 0.00 39.48 38.20 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 6.02 0.00 -0.01 -1.08 3.08 -0.78 -2.42 114.38 119.19 2wr3 h ARG 148 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 2wr3 h ARG 148 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.39 2wr3 h ARG 148 CO 0.92 0.00 -0.23 0.09 -1.07 0.00 0.00 179.97 179.68 2wr3 n ASN 149 N -2.92 1.36 -4.51 7.04 3.02 -0.47 -4.94 115.26 113.84 2wr3 n ASN 149 Ca 0.02 -1.15 -0.25 0.00 -0.03 0.00 0.00 54.58 53.17 2wr3 n ASN 149 Cb 0.37 0.15 -0.10 0.00 -0.61 0.00 0.00 39.78 39.59 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 -2.38 1.74 0.00 3.52 -1.94 -0.91 -1.25 119.30 118.09 2wr3 s MET 150 Ca 0.26 -1.86 0.00 0.00 -1.71 0.00 0.00 55.69 52.39 2wr3 s MET 150 Cb 0.19 -1.71 0.00 0.00 2.01 0.00 0.00 34.83 35.33 2wr3 s MET 150 CO 0.48 0.22 0.00 0.28 -0.01 0.00 0.00 175.02 175.99 2wr3 n VAL 151 N -0.71 0.00 -3.62 -6.03 0.31 0.98 -4.82 118.33 104.44 2wr3 n VAL 151 Ca -0.05 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.24 2wr3 n VAL 151 Cb 0.62 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.49 2wr3 n VAL 151 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2wr3 s LEU 153 N 0.00 -0.80 0.19 7.52 1.43 -1.22 -0.94 118.68 124.87 2wr3 s LEU 153 Ca 0.00 1.24 -0.01 0.00 -1.03 0.00 0.00 54.13 54.33 2wr3 s LEU 153 Cb 0.00 2.11 -0.04 0.00 0.03 0.00 0.00 46.19 48.29 2wr3 s LEU 153 CO 0.00 -0.19 0.11 0.42 0.23 0.00 0.00 176.35 176.92 2wr3 s THR 154 N 1.77 0.10 0.34 5.49 -4.23 -0.50 -4.69 115.64 113.93 2wr3 s THR 154 Ca -0.09 -1.98 -0.29 0.00 -1.18 0.00 0.00 61.69 58.15 2wr3 s THR 154 Cb -0.06 -2.41 -0.11 0.00 1.34 0.00 0.00 72.50 71.27 2wr3 s THR 154 CO -0.18 -0.11 1.50 -1.59 -0.54 0.00 0.00 174.62 173.70 2wr3 s LYS 155 N -4.12 4.15 -0.47 3.99 -2.85 -0.71 -0.38 119.74 119.34 2wr3 s LYS 155 Ca 0.35 2.52 -0.12 0.00 -1.00 0.00 0.00 55.97 57.72 2wr3 s LYS 155 Cb 0.07 -3.01 0.10 0.00 -2.06 0.00 0.00 37.83 32.94 2wr3 s LYS 155 CO 0.10 -0.52 0.37 0.21 0.10 0.00 0.00 175.35 175.60 2wr3 s LYS 156 N -1.45 2.75 0.63 1.78 2.20 -0.29 -4.48 119.74 120.88 2wr3 s LYS 156 Ca 0.56 -1.57 0.00 0.00 -0.36 0.00 0.00 55.97 54.60 2wr3 s LYS 156 Cb -0.46 -4.02 0.00 0.00 -1.51 0.00 0.00 37.83 31.84 2wr3 s LYS 156 CO 0.56 -1.12 0.00 0.41 -0.36 0.00 0.00 175.35 174.84 2wr3 n GLY 157 N 5.06 1.87 0.38 5.54 0.00 -1.26 -2.98 105.19 113.80 2wr3 n GLY 157 Ca -0.11 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 4.70 0.00 -4.16 1.61 3.41 -1.26 -5.11 113.62 112.80 2wr3 n SER 158 Ca 0.00 -1.19 -0.28 0.00 -0.26 0.00 0.00 58.87 57.13 2wr3 n SER 158 Cb 0.00 -0.04 -0.16 0.00 -0.26 0.00 0.00 64.21 63.75 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 -0.19 2.53 -0.37 4.04 0.02 -1.16 -4.89 114.94 114.91 2wr3 s ASN 159 Ca 0.00 -0.43 0.04 0.00 -1.02 0.00 0.00 52.86 51.45 2wr3 s ASN 159 Cb 0.00 -0.90 0.11 0.00 0.02 0.00 0.00 41.25 40.47 2wr3 s ASN 159 CO 0.00 0.15 0.09 -0.47 0.02 0.00 0.00 177.10 176.90 2wr3 s TYR 160 N 0.19 3.56 1.02 2.20 5.04 -1.26 -1.14 117.35 126.97 2wr3 s TYR 160 Ca -0.10 -2.99 -0.14 0.00 -2.44 0.00 0.00 57.07 51.40 2wr3 s TYR 160 Cb -0.14 -2.85 0.20 0.00 0.35 0.00 0.00 41.96 39.51 2wr3 s TYR 160 CO 0.05 -0.91 1.13 -2.14 -1.34 0.00 0.00 175.55 172.34 2wr3 s PRO 161 N 0.70 0.22 0.02 4.97 0.02 -1.26 -4.91 135.00 134.75 2wr3 s PRO 161 Ca 0.12 0.21 -0.30 0.00 0.02 0.00 0.00 61.00 61.05 2wr3 s PRO 161 Cb -0.20 -1.74 -0.06 0.00 0.02 0.00 0.00 34.50 32.51 2wr3 s PRO 161 CO -0.07 -2.80 1.51 0.08 -0.33 0.00 0.00 177.00 175.39 2wr3 s VAL 162 N -3.15 3.47 -0.18 3.83 1.01 -1.26 -4.78 120.40 119.34 2wr3 s VAL 162 Ca 0.67 0.85 -0.22 0.00 0.00 0.00 0.00 61.98 63.28 2wr3 s VAL 162 Cb -0.14 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 2wr3 s VAL 162 CO 0.55 -0.01 0.67 0.00 0.00 0.00 0.00 175.10 176.32 2wr3 s ALA 163 N 2.66 3.52 -0.33 5.51 0.00 -0.34 -4.94 121.76 127.84 2wr3 s ALA 163 Ca 0.68 -0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.48 2wr3 s ALA 163 Cb -0.34 -3.01 0.14 0.00 0.00 0.00 0.00 23.12 19.91 2wr3 s ALA 163 CO 0.29 -0.52 0.32 0.21 0.00 0.00 0.00 175.76 176.06 2wr3 s LYS 164 N 1.83 0.49 0.23 0.00 2.20 -1.26 -1.04 119.74 122.19 2wr3 s LYS 164 Ca 0.31 -0.60 0.11 0.00 -0.36 0.00 0.00 55.97 55.43 2wr3 s LYS 164 Cb -0.16 -0.76 -0.05 0.00 -1.51 0.00 0.00 37.83 35.36 2wr3 s LYS 164 CO 0.11 -1.13 -0.18 1.03 -0.36 0.00 0.00 175.35 174.82 2wr3 s ARG 165 N 1.79 1.72 0.15 4.03 0.52 -1.16 -4.99 118.95 121.01 2wr3 s ARG 165 Ca 0.14 -1.56 -0.02 0.00 -0.52 0.00 0.00 55.73 53.77 2wr3 s ARG 165 Cb -0.15 -1.89 -0.04 0.00 0.52 0.00 0.00 34.95 33.39 2wr3 s ARG 165 CO -0.16 0.38 0.10 -1.54 0.02 0.00 0.00 175.30 174.10 2wr3 s SER 166 N -3.06 0.24 -0.08 0.23 1.04 -1.26 -0.69 113.70 110.13 2wr3 s SER 166 Ca 0.25 -1.21 -0.05 0.00 0.48 0.00 0.00 55.95 55.43 2wr3 s SER 166 Cb -0.07 0.33 0.03 0.00 0.10 0.00 0.00 66.02 66.42 2wr3 s SER 166 CO 0.13 -0.78 0.18 -0.47 0.98 0.00 0.00 173.24 173.29 2wr3 s TYR 167 N -4.06 -0.22 -0.25 5.02 5.04 -0.67 -4.99 117.35 117.21 2wr3 s TYR 167 Ca 0.27 0.57 -0.10 0.00 -2.44 0.00 0.00 57.07 55.36 2wr3 s TYR 167 Cb 0.07 0.00 -0.05 0.00 0.35 0.00 0.00 41.96 42.33 2wr3 s TYR 167 CO 0.04 -0.16 0.16 1.21 -1.34 0.00 0.00 175.55 175.46 2wr3 s ASN 168 N 0.87 6.01 -0.80 4.32 3.84 -1.26 -1.43 114.94 126.49 2wr3 s ASN 168 Ca -0.06 0.05 -0.25 0.00 0.21 0.00 0.00 52.86 52.80 2wr3 s ASN 168 Cb -0.08 -2.09 0.00 0.00 -0.55 0.00 0.00 41.25 38.53 2wr3 s ASN 168 CO -0.05 0.02 1.63 0.21 -2.79 0.00 0.00 177.10 176.13 2wr3 s ASN 169 N 1.32 5.75 0.00 -4.21 2.47 0.03 -4.71 114.94 115.58 2wr3 s ASN 169 Ca 0.07 -0.50 0.18 0.00 0.42 0.00 0.00 52.86 53.02 2wr3 s ASN 169 Cb -0.14 -2.55 0.29 0.00 -1.45 0.00 0.00 41.25 37.39 2wr3 s ASN 169 CO 0.07 -2.13 1.21 0.35 -3.72 0.00 0.00 177.10 172.88 2wr3 n THR 170 N 7.07 0.42 0.39 -5.21 -2.24 -1.26 -0.54 114.28 112.91 2wr3 n THR 170 Ca 0.23 -0.71 0.07 0.00 -2.27 0.00 0.00 64.05 61.37 2wr3 n THR 170 Cb 0.50 1.01 0.29 0.00 -2.10 0.00 0.00 70.33 70.03 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 1.07 0.12 0.00 3.42 3.41 -1.26 -4.83 113.62 115.54 2wr3 n SER 171 Ca 0.14 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 2wr3 n SER 171 Cb 0.49 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 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 -0.30 0.53 3.12 5.00 0.00 -1.26 -4.99 105.19 107.29 2wr3 n GLY 172 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.39 0.67 0.24 1.61 2.02 -1.26 -5.01 118.70 116.59 2wr3 s GLU 173 Ca 0.00 -0.88 -0.30 0.00 0.02 0.00 0.00 54.97 53.81 2wr3 s GLU 173 Cb 0.00 -0.53 -0.14 0.00 0.10 0.00 0.00 34.13 33.56 2wr3 s GLU 173 CO 0.00 0.11 1.17 0.94 0.02 0.00 0.00 175.26 177.50 2wr3 n GLN 174 N 1.30 1.48 -4.89 1.61 7.27 -1.26 -4.61 117.38 118.28 2wr3 n GLN 174 Ca -0.22 0.53 -0.27 0.00 0.07 0.00 0.00 57.00 57.11 2wr3 n GLN 174 Cb 0.55 -2.02 -0.16 0.00 2.41 0.00 0.00 30.24 31.02 2wr3 n GLN 174 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 2wr3 s MET 175 N -0.90 2.07 0.14 3.69 -2.45 -0.89 -1.18 119.30 119.77 2wr3 s MET 175 Ca 0.66 -0.64 -0.24 0.00 -1.25 0.00 0.00 55.69 54.21 2wr3 s MET 175 Cb -0.73 -1.72 -0.08 0.00 1.25 0.00 0.00 34.83 33.55 2wr3 s MET 175 CO 0.55 0.20 0.75 -1.17 1.05 0.00 0.00 175.02 176.40 2wr3 s LEU 176 N 0.21 4.57 -0.08 4.11 2.96 0.13 -0.99 118.68 129.60 2wr3 s LEU 176 Ca -0.09 1.58 -0.04 0.00 -0.22 0.00 0.00 54.13 55.36 2wr3 s LEU 176 Cb -0.14 -3.24 0.04 0.00 0.50 0.00 0.00 46.19 43.36 2wr3 s LEU 176 CO 0.04 0.20 0.18 -0.63 -1.32 0.00 0.00 176.35 174.82 2wr3 s ILE 177 N -1.04 -0.05 0.03 6.68 1.01 -0.90 -0.46 121.20 126.48 2wr3 s ILE 177 Ca 0.35 0.17 0.09 0.00 0.00 0.00 0.00 60.65 61.26 2wr3 s ILE 177 Cb -0.22 -0.28 -0.03 0.00 0.01 0.00 0.00 42.46 41.94 2wr3 s ILE 177 CO 0.25 0.07 -0.26 -0.63 0.00 0.00 0.00 174.94 174.37 2wr3 s ILE 178 N 1.22 2.07 0.23 2.92 1.01 -1.26 -1.70 121.20 125.69 2wr3 s ILE 178 Ca -0.09 -1.30 -0.02 0.00 0.00 0.00 0.00 60.65 59.23 2wr3 s ILE 178 Cb -0.11 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.57 2wr3 s ILE 178 CO -0.07 0.40 0.23 -1.66 0.00 0.00 0.00 174.94 173.84 2wr3 s TRP 179 N -0.76 1.08 0.18 3.97 -2.14 -0.43 -3.84 118.94 117.01 2wr3 s TRP 179 Ca 0.11 -1.29 -0.05 0.00 2.66 0.00 0.00 56.10 57.53 2wr3 s TRP 179 Cb -0.10 -0.42 -0.03 0.00 -3.10 0.00 0.00 33.47 29.82 2wr3 s TRP 179 CO 0.01 -0.75 0.20 0.20 -2.66 0.00 0.00 176.95 173.95 2wr3 s GLY 180 N -3.16 1.00 -0.02 3.67 0.00 0.17 -0.97 107.32 108.01 2wr3 s GLY 180 Ca 0.36 -1.35 0.02 0.00 0.00 0.00 0.00 44.72 43.75 2wr3 s GLY 180 CO 0.14 -1.15 -0.06 -1.50 0.00 0.00 0.00 173.10 170.52 2wr3 s ILE 181 N -4.07 0.55 0.03 0.90 2.07 -0.39 -0.76 121.20 119.53 2wr3 s ILE 181 Ca 0.28 -0.25 -0.05 0.00 -1.41 0.00 0.00 60.65 59.23 2wr3 s ILE 181 Cb 0.05 -0.50 -0.05 0.00 0.13 0.00 0.00 42.46 42.09 2wr3 s ILE 181 CO 0.07 0.18 0.26 -2.28 -1.91 0.00 0.00 174.94 171.26 2wr3 s HIS 182 N 0.18 3.55 -0.27 3.50 5.65 0.47 -1.07 115.29 127.30 2wr3 s HIS 182 Ca -0.02 0.49 0.01 0.00 0.25 0.00 0.00 55.06 55.79 2wr3 s HIS 182 Cb -0.07 -1.93 0.07 0.00 -1.18 0.00 0.00 32.58 29.48 2wr3 s HIS 182 CO -0.00 0.59 -0.02 0.71 -0.65 0.00 0.00 174.74 175.38 2wr3 s TYR 183 N -1.37 2.66 1.12 3.88 2.02 0.27 -4.79 117.35 121.14 2wr3 s TYR 183 Ca 0.30 -2.06 -0.18 0.00 -0.37 0.00 0.00 57.07 54.76 2wr3 s TYR 183 Cb -0.13 -1.90 0.25 0.00 -0.40 0.00 0.00 41.96 39.78 2wr3 s TYR 183 CO 0.19 -0.83 1.16 -2.14 -1.57 0.00 0.00 175.55 172.36 2wr3 s PRO 184 N 1.30 -0.58 0.30 -1.71 0.02 -1.26 -1.61 135.00 131.46 2wr3 s PRO 184 Ca -0.01 -0.10 0.15 0.00 0.02 0.00 0.00 61.00 61.07 2wr3 s PRO 184 Cb -0.19 -1.67 0.37 0.00 0.02 0.00 0.00 34.50 33.03 2wr3 s PRO 184 CO -0.09 -3.28 1.59 -0.91 -0.33 0.00 0.00 177.00 173.98 2wr3 h ASN 185 N -2.27 0.00 -5.68 2.53 4.21 -1.86 -3.41 115.58 109.11 2wr3 h ASN 185 Ca -0.46 0.00 0.29 0.00 1.21 0.00 0.00 56.30 57.34 2wr3 h ASN 185 Cb 1.28 0.00 -0.10 0.00 -1.12 0.00 0.00 38.32 38.38 2wr3 h ASN 185 CO 0.38 0.52 0.76 1.51 -1.29 0.00 0.00 177.43 179.31 2wr3 s ASP 186 N -6.54 -0.07 0.47 5.81 3.84 -1.26 -4.32 116.67 114.60 2wr3 s ASP 186 Ca 0.01 -0.23 0.16 0.00 -0.00 0.00 0.00 52.55 52.49 2wr3 s ASP 186 Cb 0.10 0.24 1.10 0.00 -1.38 0.00 0.00 42.92 42.98 2wr3 s ASP 186 CO 0.73 -0.46 2.02 0.44 -0.00 0.00 0.00 175.17 177.91 2wr3 h ASP 187 N 2.00 0.00 0.30 2.11 5.19 -2.00 -2.93 116.42 121.10 2wr3 h ASP 187 Ca -0.28 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.11 2wr3 h ASP 187 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 2wr3 h ASP 187 CO 0.29 0.15 -0.14 0.71 -3.12 0.00 0.00 179.24 177.13 2wr3 h THR 188 N 0.00 0.56 -1.13 0.35 1.35 -1.99 -2.78 112.91 109.26 2wr3 h THR 188 Ca -0.00 -0.78 0.32 0.00 -0.55 0.00 0.00 66.41 65.40 2wr3 h THR 188 Cb 0.28 0.88 -0.10 0.00 -1.73 0.00 0.00 68.15 67.48 2wr3 h THR 188 CO 0.02 0.12 0.73 -0.08 -0.25 0.00 0.00 175.52 176.07 2wr3 h GLU 189 N -0.92 0.27 -0.62 4.72 4.81 -1.96 0.39 114.58 121.27 2wr3 h GLU 189 Ca -0.04 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 2wr3 h GLU 189 Cb 0.51 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 2wr3 h GLU 189 CO 0.07 0.18 0.20 0.37 -0.73 0.00 0.00 179.01 179.10 2wr3 h GLN 190 N 0.28 0.96 -0.02 1.92 5.75 -1.44 -2.26 115.11 120.30 2wr3 h GLN 190 Ca 0.66 -0.20 -0.13 0.00 -0.15 0.00 0.00 58.65 58.83 2wr3 h GLN 190 Cb 1.88 -0.14 0.01 0.00 1.07 0.00 0.00 27.48 30.29 2wr3 h GLN 190 CO -0.32 0.84 -0.49 0.00 -2.65 0.00 0.00 178.83 176.21 2wr3 h ARG 191 N 0.89 0.37 0.00 1.69 3.08 -0.19 -0.76 114.38 119.45 2wr3 h ARG 191 Ca 0.20 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.88 2wr3 h ARG 191 Cb 0.28 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2wr3 h ARG 191 CO -0.01 1.04 0.02 -2.37 -1.07 0.00 0.00 179.97 177.58 2wr3 n THR 192 N -4.30 1.43 -0.06 2.04 5.66 0.99 -0.88 114.28 119.17 2wr3 n THR 192 Ca -0.10 0.63 -0.07 0.00 -3.05 0.00 0.00 64.05 61.46 2wr3 n THR 192 Cb 0.61 -1.63 -0.07 0.00 -1.55 0.00 0.00 70.33 67.70 2wr3 n THR 192 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2wr3 n LEU 193 N -1.89 1.93 0.00 1.09 4.32 -0.86 -4.86 117.00 116.73 2wr3 n LEU 193 Ca -0.01 -0.04 0.00 0.00 -0.02 0.00 0.00 56.01 55.94 2wr3 n LEU 193 Cb 0.04 -0.20 0.00 0.00 -1.62 0.00 0.00 43.42 41.63 2wr3 n LEU 193 CO 0.05 0.55 0.09 -1.22 -1.22 0.00 0.00 177.39 175.64 2wr3 n TYR 194 N -2.70 0.00 0.00 -1.77 4.02 -0.29 -1.74 117.16 114.67 2wr3 n TYR 194 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.69 2wr3 n TYR 194 Cb 0.77 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.09 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 -0.22 0.00 -1.00 -0.72 1.13 -0.06 -4.46 117.38 112.05 2wr3 n GLN 195 Ca 0.00 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.71 2wr3 n GLN 195 Cb 0.07 0.00 0.03 0.00 0.11 0.00 0.00 30.24 30.45 2wr3 n GLN 195 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2wr3 n ASN 196 N 7.24 -5.20 -0.00 1.08 5.03 -1.26 -4.23 115.26 117.92 2wr3 n ASN 196 Ca 0.00 0.28 0.00 0.00 0.87 0.00 0.00 54.58 55.73 2wr3 n ASN 196 Cb 0.00 -0.74 -0.01 0.00 -1.02 0.00 0.00 39.78 38.01 2wr3 n ASN 196 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 2wr3 n VAL 197 N -2.14 0.02 -1.78 2.41 0.31 -1.26 -4.66 118.33 111.23 2wr3 n VAL 197 Ca 0.00 -0.02 -0.34 0.00 -0.01 0.00 0.00 64.34 63.97 2wr3 n VAL 197 Cb 0.51 -0.27 -0.03 0.00 -0.91 0.00 0.00 33.84 33.14 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 2.72 4.85 3.89 2.92 0.00 -1.26 -4.99 105.19 113.32 2wr3 n GLY 198 Ca -0.01 -2.01 -0.29 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.92 4.82 0.21 2.61 -4.23 -1.26 -5.04 115.64 110.83 2wr3 s THR 199 Ca 0.56 0.50 -0.04 0.00 -1.18 0.00 0.00 61.69 61.53 2wr3 s THR 199 Cb 0.29 -3.83 -0.03 0.00 1.34 0.00 0.00 72.50 70.27 2wr3 s THR 199 CO -0.17 -0.84 0.22 -0.72 -0.54 0.00 0.00 174.62 172.57 2wr3 s TYR 200 N -2.75 0.94 -0.08 3.99 -0.85 -1.26 -4.32 117.35 113.02 2wr3 s TYR 200 Ca 0.51 -1.21 0.00 0.00 -0.52 0.00 0.00 57.07 55.85 2wr3 s TYR 200 Cb -0.10 -0.36 0.02 0.00 0.38 0.00 0.00 41.96 41.89 2wr3 s TYR 200 CO 0.43 -0.73 -0.07 0.08 -1.52 0.00 0.00 175.55 173.75 2wr3 s VAL 201 N -4.12 0.85 -0.19 -3.49 1.01 0.27 -2.52 120.40 112.21 2wr3 s VAL 201 Ca 0.34 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 2wr3 s VAL 201 Cb 0.05 -0.87 0.01 0.00 0.00 0.00 0.00 36.38 35.56 2wr3 s VAL 201 CO 0.11 0.32 -0.14 -0.44 0.00 0.00 0.00 175.10 174.95 2wr3 s SER 202 N 1.41 3.57 -0.10 3.32 0.01 0.20 -1.26 113.70 120.85 2wr3 s SER 202 Ca -0.02 -0.54 0.02 0.00 1.31 0.00 0.00 55.95 56.72 2wr3 s SER 202 Cb -0.13 -1.57 0.01 0.00 0.21 0.00 0.00 66.02 64.53 2wr3 s SER 202 CO -0.04 0.00 -0.17 -0.69 0.41 0.00 0.00 173.24 172.75 2wr3 s VAL 203 N 1.29 1.62 -0.04 3.43 1.01 -0.67 -0.97 120.40 126.07 2wr3 s VAL 203 Ca 0.04 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 2wr3 s VAL 203 Cb -0.14 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.80 2wr3 s VAL 203 CO -0.08 0.46 0.15 -0.83 0.00 0.00 0.00 175.10 174.80 2wr3 s GLY 204 N 0.77 -0.08 0.00 4.51 0.00 -0.87 -1.22 107.32 110.43 2wr3 s GLY 204 Ca -0.11 0.30 0.00 0.00 0.00 0.00 0.00 44.72 44.91 2wr3 s GLY 204 CO 0.02 0.22 0.00 -1.30 0.00 0.00 0.00 173.10 172.04 2wr3 n THR 205 N 2.63 0.00 0.19 0.90 -2.24 0.36 -1.43 114.28 114.69 2wr3 n THR 205 Ca -0.15 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.67 2wr3 n THR 205 Cb 0.58 0.00 0.43 0.00 -2.10 0.00 0.00 70.33 69.25 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 0.05 0.00 3.42 0.02 -1.99 -3.36 113.55 111.68 2wr3 h SER 206 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2wr3 h SER 206 Cb 0.00 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.53 2wr3 h SER 206 CO 0.00 0.28 -0.80 0.35 -1.14 0.00 0.00 176.83 175.53 2wr3 n THR 207 N -4.25 0.00 -2.28 -2.27 -2.24 -1.26 -5.03 114.28 96.95 2wr3 n THR 207 Ca -0.02 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.41 2wr3 n THR 207 Cb 0.30 -0.60 -0.00 0.00 -2.10 0.00 0.00 70.33 67.92 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 -3.98 3.79 -0.30 3.22 2.96 -1.26 -5.02 118.68 118.10 2wr3 s LEU 208 Ca 0.00 2.17 -0.08 0.00 -0.22 0.00 0.00 54.13 56.00 2wr3 s LEU 208 Cb 0.00 -4.53 0.19 0.00 0.50 0.00 0.00 46.19 42.34 2wr3 s LEU 208 CO 0.00 -1.14 0.97 0.21 -1.32 0.00 0.00 176.35 175.06 2wr3 s ASN 209 N -1.73 -0.63 -0.06 3.68 2.47 -1.26 -0.49 114.94 116.93 2wr3 s ASN 209 Ca 0.71 0.09 -0.10 0.00 0.42 0.00 0.00 52.86 53.98 2wr3 s ASN 209 Cb -0.24 1.41 0.02 0.00 -1.45 0.00 0.00 41.25 40.99 2wr3 s ASN 209 CO 0.27 -0.12 0.25 -0.75 -3.72 0.00 0.00 177.10 173.04 2wr3 s LYS 210 N 2.93 0.44 -0.03 0.43 2.20 -0.36 -5.02 119.74 120.34 2wr3 s LYS 210 Ca 0.23 0.07 -0.00 0.00 -0.36 0.00 0.00 55.97 55.90 2wr3 s LYS 210 Cb -0.04 0.20 0.03 0.00 -1.51 0.00 0.00 37.83 36.51 2wr3 s LYS 210 CO -0.23 -0.09 0.02 0.50 -0.36 0.00 0.00 175.35 175.19 2wr3 s ARG 211 N -0.56 0.16 0.01 4.03 3.52 -1.26 -1.67 118.95 123.17 2wr3 s ARG 211 Ca -0.07 0.18 0.07 0.00 -0.13 0.00 0.00 55.73 55.79 2wr3 s ARG 211 Cb -0.04 -0.48 -0.02 0.00 -1.56 0.00 0.00 34.95 32.85 2wr3 s ARG 211 CO 0.02 -0.21 -0.23 -1.12 -0.81 0.00 0.00 175.30 172.95 2wr3 s SER 212 N 1.42 2.69 0.10 -2.12 0.01 -0.39 -4.94 113.70 110.46 2wr3 s SER 212 Ca -0.04 -0.47 0.10 0.00 1.31 0.00 0.00 55.95 56.85 2wr3 s SER 212 Cb -0.13 -0.27 -0.04 0.00 0.21 0.00 0.00 66.02 65.80 2wr3 s SER 212 CO -0.03 0.24 -0.27 0.27 0.41 0.00 0.00 173.24 173.87 2wr3 s ILE 213 N -0.65 2.22 0.05 1.44 -0.00 -1.26 -0.57 121.20 122.44 2wr3 s ILE 213 Ca 0.09 -1.64 -0.35 0.00 -0.00 0.00 0.00 60.65 58.76 2wr3 s ILE 213 Cb -0.09 -1.95 -0.14 0.00 -0.00 0.00 0.00 42.46 40.29 2wr3 s ILE 213 CO 0.00 0.18 1.66 -2.65 -0.00 0.00 0.00 174.94 174.13 2wr3 n PRO 214 N 1.19 2.00 -3.53 0.37 -0.02 -1.26 -4.97 135.00 128.78 2wr3 n PRO 214 Ca -0.18 0.73 -0.42 0.00 -2.02 0.00 0.00 63.50 61.62 2wr3 n PRO 214 Cb 0.53 -2.50 -0.09 0.00 -0.02 0.00 0.00 33.50 31.41 2wr3 n PRO 214 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2wr3 s GLU 215 N 2.03 2.70 -0.19 -0.52 2.02 -1.26 -5.07 118.70 118.40 2wr3 s GLU 215 Ca 0.85 -1.48 -0.11 0.00 0.02 0.00 0.00 54.97 54.24 2wr3 s GLU 215 Cb -0.73 -3.91 -0.05 0.00 0.10 0.00 0.00 34.13 29.54 2wr3 s GLU 215 CO 0.45 -1.02 0.18 0.42 0.02 0.00 0.00 175.26 175.31 2wr3 s ILE 216 N 1.48 5.37 0.09 -1.63 1.01 -1.26 -4.84 121.20 121.42 2wr3 s ILE 216 Ca 0.04 0.30 -0.09 0.00 0.00 0.00 0.00 60.65 60.90 2wr3 s ILE 216 Cb -0.24 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.71 2wr3 s ILE 216 CO 0.03 0.41 0.21 0.00 0.00 0.00 0.00 174.94 175.59 2wr3 s ALA 217 N 0.46 -0.26 -0.05 9.38 0.00 -1.26 -5.03 121.76 125.00 2wr3 s ALA 217 Ca 0.11 -0.60 -0.30 0.00 0.00 0.00 0.00 51.96 51.17 2wr3 s ALA 217 Cb -0.12 0.52 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 2wr3 s ALA 217 CO 0.00 -0.52 1.11 0.99 0.00 0.00 0.00 175.76 177.34 2wr3 s THR 218 N -3.86 4.47 0.02 0.00 2.01 -1.26 -4.73 115.64 112.29 2wr3 s THR 218 Ca 0.05 1.77 0.01 0.00 0.31 0.00 0.00 61.69 63.84 2wr3 s THR 218 Cb 0.05 -4.14 -0.01 0.00 0.01 0.00 0.00 72.50 68.40 2wr3 s THR 218 CO -0.11 0.04 -0.04 -0.13 -0.69 0.00 0.00 174.62 173.69 2wr3 s ARG 219 N 1.84 0.32 0.75 4.92 0.52 -1.26 -5.15 118.95 120.89 2wr3 s ARG 219 Ca 0.53 -0.45 -0.15 0.00 -0.52 0.00 0.00 55.73 55.14 2wr3 s ARG 219 Cb -0.23 -0.10 0.04 0.00 0.52 0.00 0.00 34.95 35.18 2wr3 s ARG 219 CO 0.22 0.01 1.09 -2.30 0.02 0.00 0.00 175.30 174.35 2wr3 n PRO 220 N 2.10 0.44 -2.64 3.54 -0.02 -1.26 -4.70 135.00 132.46 2wr3 n PRO 220 Ca -0.19 0.21 -0.41 0.00 -2.02 0.00 0.00 63.50 61.09 2wr3 n PRO 220 Cb 0.56 -2.34 -0.04 0.00 -0.02 0.00 0.00 33.50 31.66 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 -3.66 4.66 -0.13 -0.52 1.02 -1.26 -4.58 119.74 115.27 2wr3 s LYS 221 Ca 0.74 1.57 0.03 0.00 0.02 0.00 0.00 55.97 58.33 2wr3 s LYS 221 Cb -0.32 -3.33 0.01 0.00 -0.52 0.00 0.00 37.83 33.66 2wr3 s LYS 221 CO 0.50 0.17 -0.22 0.08 -0.92 0.00 0.00 175.35 174.96 2wr3 s VAL 222 N -0.17 2.11 -1.40 3.17 1.01 -0.10 -4.61 120.40 120.42 2wr3 s VAL 222 Ca 0.48 -0.97 -0.09 0.00 0.00 0.00 0.00 61.98 61.39 2wr3 s VAL 222 Cb -0.26 -1.84 0.06 0.00 0.00 0.00 0.00 36.38 34.34 2wr3 s VAL 222 CO 0.32 0.55 0.61 0.59 0.00 0.00 0.00 175.10 177.17 2wr3 n ASN 223 N 3.94 -4.45 0.00 3.32 4.13 -1.26 -1.36 115.26 119.58 2wr3 n ASN 223 Ca -0.20 -0.44 0.00 0.00 1.68 0.00 0.00 54.58 55.62 2wr3 n ASN 223 Cb 0.52 -3.63 0.00 0.00 -1.54 0.00 0.00 39.78 35.13 2wr3 n ASN 223 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wr3 n GLY 224 N -1.34 0.82 3.49 7.41 0.00 -1.26 -4.38 105.19 109.93 2wr3 n GLY 224 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.13 2.72 0.03 1.61 -1.52 -0.47 -4.95 119.66 116.95 2wr3 s GLN 225 Ca 0.00 -0.65 0.18 0.00 -1.95 0.00 0.00 55.36 52.94 2wr3 s GLN 225 Cb 0.00 -2.48 -0.17 0.00 -0.22 0.00 0.00 33.01 30.14 2wr3 s GLN 225 CO 0.00 0.57 0.69 0.41 -0.25 0.00 0.00 175.29 176.71 2wr3 n GLY 226 N 2.49 -1.17 3.66 3.09 0.00 -1.26 -0.92 105.19 111.08 2wr3 n GLY 226 Ca -0.17 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 2wr3 n GLY 226 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wr3 s GLY 227 N -4.81 1.63 0.08 -0.02 0.00 -1.26 -4.69 107.32 98.23 2wr3 s GLY 227 Ca -0.04 0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.81 2wr3 s GLY 227 CO 0.83 0.64 -0.05 0.50 0.00 0.00 0.00 173.10 175.01 2wr3 s ARG 228 N -4.75 0.73 -0.04 2.90 1.81 -0.63 -4.64 118.95 114.31 2wr3 s ARG 228 Ca 0.65 -1.28 0.01 0.00 -1.72 0.00 0.00 55.73 53.39 2wr3 s ARG 228 Cb -0.21 -0.00 0.02 0.00 -0.45 0.00 0.00 34.95 34.31 2wr3 s ARG 228 CO 0.59 -0.06 -0.05 -1.64 -0.68 0.00 0.00 175.30 173.45 2wr3 s MET 229 N -3.88 0.89 -0.16 3.54 -1.94 -0.23 -0.56 119.30 116.96 2wr3 s MET 229 Ca 0.10 -0.14 -0.02 0.00 -1.71 0.00 0.00 55.69 53.92 2wr3 s MET 229 Cb 0.07 -0.87 -0.01 0.00 2.01 0.00 0.00 34.83 36.02 2wr3 s MET 229 CO -0.07 -0.06 -0.10 -2.00 -0.01 0.00 0.00 175.02 172.78 2wr3 s GLU 230 N 0.83 3.42 -0.05 2.03 2.12 -0.24 -2.26 118.70 124.56 2wr3 s GLU 230 Ca -0.12 -0.65 -0.01 0.00 0.36 0.00 0.00 54.97 54.56 2wr3 s GLU 230 Cb -0.14 -2.77 -0.03 0.00 0.26 0.00 0.00 34.13 31.44 2wr3 s GLU 230 CO 0.01 0.11 0.01 -0.06 -0.54 0.00 0.00 175.26 174.79 2wr3 s PHE 231 N 0.64 3.16 0.23 5.30 0.40 -0.84 -1.26 117.98 125.61 2wr3 s PHE 231 Ca -0.05 0.17 0.03 0.00 -0.60 0.00 0.00 56.93 56.48 2wr3 s PHE 231 Cb -0.15 -1.75 -0.05 0.00 0.51 0.00 0.00 43.02 41.58 2wr3 s PHE 231 CO 0.03 0.48 0.00 -1.12 0.70 0.00 0.00 175.22 175.31 2wr3 s SER 232 N -1.18 1.76 0.03 1.36 0.01 -0.14 -0.44 113.70 115.09 2wr3 s SER 232 Ca 0.16 -1.22 -0.08 0.00 1.31 0.00 0.00 55.95 56.12 2wr3 s SER 232 Cb -0.11 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.14 2wr3 s SER 232 CO 0.06 -0.52 0.17 -1.66 0.41 0.00 0.00 173.24 171.69 2wr3 s TRP 233 N -3.45 0.06 0.14 2.43 1.48 -1.26 -1.31 118.94 117.03 2wr3 s TRP 233 Ca 0.28 -0.24 -0.02 0.00 -1.06 0.00 0.00 56.10 55.06 2wr3 s TRP 233 Cb 0.06 -0.05 -0.04 0.00 -1.16 0.00 0.00 33.47 32.28 2wr3 s TRP 233 CO 0.08 -0.38 0.07 -0.08 -4.06 0.00 0.00 176.95 172.59 2wr3 s THR 234 N -2.17 0.09 -0.29 0.66 -1.32 -0.69 -5.00 115.64 106.93 2wr3 s THR 234 Ca -0.08 -1.88 -0.08 0.00 -1.21 0.00 0.00 61.69 58.43 2wr3 s THR 234 Cb -0.03 -2.06 -0.01 0.00 -1.51 0.00 0.00 72.50 68.89 2wr3 s THR 234 CO -0.02 -0.43 0.11 -0.76 -2.21 0.00 0.00 174.62 171.31 2wr3 s LEU 235 N -3.05 3.88 -0.33 9.08 1.43 -1.26 -2.12 118.68 126.31 2wr3 s LEU 235 Ca 0.25 -0.52 -0.20 0.00 -1.03 0.00 0.00 54.13 52.63 2wr3 s LEU 235 Cb 0.07 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.34 2wr3 s LEU 235 CO 0.02 -0.16 0.61 -0.22 0.23 0.00 0.00 176.35 176.83 2wr3 s LEU 236 N 1.58 4.20 0.82 1.79 2.96 -0.16 -4.93 118.68 124.94 2wr3 s LEU 236 Ca 0.04 0.28 -0.11 0.00 -0.22 0.00 0.00 54.13 54.12 2wr3 s LEU 236 Cb -0.17 -2.77 0.08 0.00 0.50 0.00 0.00 46.19 43.84 2wr3 s LEU 236 CO 0.04 -0.51 1.09 -1.61 -1.32 0.00 0.00 176.35 174.04 2wr3 s GLU 237 N 2.61 1.87 0.17 1.98 0.41 -1.26 -2.11 118.70 122.36 2wr3 s GLU 237 Ca 0.24 0.87 -0.31 0.00 -0.41 0.00 0.00 54.97 55.36 2wr3 s GLU 237 Cb -0.15 -1.88 -0.08 0.00 -1.78 0.00 0.00 34.13 30.24 2wr3 s GLU 237 CO 0.13 -1.83 1.35 0.95 -0.49 0.00 0.00 175.26 175.37 2wr3 s THR 238 N -2.99 3.22 0.00 3.63 -4.23 -1.26 -2.42 115.64 111.58 2wr3 s THR 238 Ca 0.62 0.95 0.00 0.00 -1.18 0.00 0.00 61.69 62.08 2wr3 s THR 238 Cb -0.16 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.07 2wr3 s THR 238 CO 0.56 0.11 0.00 0.79 -0.54 0.00 0.00 174.62 175.54 2wr3 n TRP 239 N 3.15 0.00 -3.55 3.99 5.03 0.30 -5.02 117.44 121.34 2wr3 n TRP 239 Ca 0.08 0.00 -0.24 0.00 3.03 0.00 0.00 57.50 60.38 2wr3 n TRP 239 Cb 0.42 0.00 -0.02 0.00 -1.03 0.00 0.00 31.31 30.69 2wr3 n TRP 239 CO 0.00 0.00 0.00 0.34 -0.03 0.00 0.00 177.69 178.00 2wr3 s ASP 240 N -2.38 6.31 0.11 -0.99 3.68 -1.02 -4.80 116.67 117.59 2wr3 s ASP 240 Ca 0.00 0.36 0.10 0.00 2.13 0.00 0.00 52.55 55.14 2wr3 s ASP 240 Cb 0.00 -1.99 -0.04 0.00 -1.45 0.00 0.00 42.92 39.44 2wr3 s ASP 240 CO 0.00 -0.22 -0.23 0.54 0.13 0.00 0.00 175.17 175.40 2wr3 s VAL 241 N -2.19 2.52 -0.12 1.11 0.11 -1.26 -0.79 120.40 119.77 2wr3 s VAL 241 Ca 0.38 -1.60 -0.00 0.00 -2.93 0.00 0.00 61.98 57.84 2wr3 s VAL 241 Cb -0.10 -2.12 -0.02 0.00 -1.53 0.00 0.00 36.38 32.61 2wr3 s VAL 241 CO 0.34 0.13 -0.12 -0.51 -3.33 0.00 0.00 175.10 171.61 2wr3 s ILE 242 N -1.07 3.17 -0.21 7.04 2.07 -0.51 -4.35 121.20 127.34 2wr3 s ILE 242 Ca 0.15 -0.63 -0.05 0.00 -1.41 0.00 0.00 60.65 58.72 2wr3 s ILE 242 Cb -0.10 -2.33 -0.02 0.00 0.13 0.00 0.00 42.46 40.14 2wr3 s ILE 242 CO 0.07 0.53 -0.01 0.20 -1.91 0.00 0.00 174.94 173.82 2wr3 s ASN 243 N 0.22 4.63 -0.08 4.50 0.01 -0.52 -1.67 114.94 122.03 2wr3 s ASN 243 Ca -0.08 -0.28 -0.07 0.00 -0.71 0.00 0.00 52.86 51.72 2wr3 s ASN 243 Cb -0.15 -1.79 -0.04 0.00 0.41 0.00 0.00 41.25 39.67 2wr3 s ASN 243 CO 0.05 0.03 0.19 -0.36 -1.51 0.00 0.00 177.10 175.49 2wr3 s PHE 244 N 1.21 3.61 -0.17 2.20 0.40 0.14 -2.05 117.98 123.32 2wr3 s PHE 244 Ca 0.03 0.56 -0.10 0.00 -0.60 0.00 0.00 56.93 56.82 2wr3 s PHE 244 Cb -0.15 -1.97 0.05 0.00 0.51 0.00 0.00 43.02 41.47 2wr3 s PHE 244 CO 0.00 0.70 0.41 -2.00 0.70 0.00 0.00 175.22 175.04 2wr3 s GLU 245 N -1.23 0.41 -0.22 0.44 2.12 -0.14 -3.00 118.70 117.08 2wr3 s GLU 245 Ca 0.19 0.75 -0.15 0.00 0.36 0.00 0.00 54.97 56.12 2wr3 s GLU 245 Cb -0.13 0.03 0.07 0.00 0.26 0.00 0.00 34.13 34.36 2wr3 s GLU 245 CO 0.08 -0.14 0.56 0.45 -0.54 0.00 0.00 175.26 175.68 2wr3 s SER 246 N 1.15 -0.70 -0.07 -1.70 0.15 -0.21 0.62 113.70 112.94 2wr3 s SER 246 Ca -0.07 1.20 0.18 0.00 0.70 0.00 0.00 55.95 57.95 2wr3 s SER 246 Cb -0.07 1.11 0.63 0.00 -1.71 0.00 0.00 66.02 65.98 2wr3 s SER 246 CO -0.10 -0.21 1.52 0.35 1.20 0.00 0.00 173.24 176.00 2wr3 n THR 247 N 3.89 1.37 0.00 6.45 -2.24 -1.05 -1.20 114.28 121.51 2wr3 n THR 247 Ca -0.19 -0.99 0.00 0.00 -2.27 0.00 0.00 64.05 60.59 2wr3 n THR 247 Cb 0.57 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 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 1.23 4.16 2.80 3.38 0.00 -1.25 -4.75 105.19 110.77 2wr3 n GLY 248 Ca 0.23 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.29 -4.70 1.61 3.02 -1.26 -4.32 115.26 108.31 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 -0.64 -0.03 0.00 -0.61 0.00 0.00 39.78 38.50 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 4.32 -0.41 3.41 2.96 -1.26 -0.40 118.68 127.30 2wr3 s LEU 250 Ca 0.00 1.69 -0.12 0.00 -0.22 0.00 0.00 54.13 55.48 2wr3 s LEU 250 Cb 0.00 -3.57 0.05 0.00 0.50 0.00 0.00 46.19 43.17 2wr3 s LEU 250 CO 0.00 -0.38 0.27 -0.63 -1.32 0.00 0.00 176.35 174.29 2wr3 s ILE 251 N 1.46 4.76 0.22 6.68 -1.09 0.06 -3.37 121.20 129.92 2wr3 s ILE 251 Ca 0.52 -0.98 -0.05 0.00 -2.23 0.00 0.00 60.65 57.92 2wr3 s ILE 251 Cb -0.22 -3.75 -0.05 0.00 -1.58 0.00 0.00 42.46 36.86 2wr3 s ILE 251 CO 0.24 -0.37 0.47 0.00 -1.23 0.00 0.00 174.94 174.05 2wr3 s ALA 252 N 1.57 3.71 0.52 9.38 0.00 -0.11 -0.65 121.76 136.17 2wr3 s ALA 252 Ca 0.03 -0.56 -0.18 0.00 0.00 0.00 0.00 51.96 51.25 2wr3 s ALA 252 Cb -0.21 -2.21 -0.07 0.00 0.00 0.00 0.00 23.12 20.63 2wr3 s ALA 252 CO 0.06 0.46 1.02 -1.25 0.00 0.00 0.00 175.76 176.05 2wr3 s PRO 253 N -3.10 3.74 -0.13 0.00 0.05 -1.25 -0.01 135.00 134.30 2wr3 s PRO 253 Ca 0.43 1.19 0.16 0.00 0.05 0.00 0.00 61.00 62.83 2wr3 s PRO 253 Cb -0.11 -2.09 -0.24 0.00 0.05 0.00 0.00 34.50 32.11 2wr3 s PRO 253 CO 0.27 -0.46 0.16 -1.91 0.05 0.00 0.00 177.00 175.10 2wr3 n GLU 254 N -1.39 1.00 -4.37 4.56 2.13 -0.38 -4.61 120.64 117.57 2wr3 n GLU 254 Ca 0.08 -0.06 -0.24 0.00 0.66 0.00 0.00 57.16 57.60 2wr3 n GLU 254 Cb 0.53 -1.44 -0.12 0.00 0.27 0.00 0.00 31.44 30.68 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 -2.68 2.04 0.47 4.31 1.51 -1.24 -1.37 117.35 120.39 2wr3 s TYR 255 Ca -0.08 -0.41 0.03 0.00 -1.01 0.00 0.00 57.07 55.59 2wr3 s TYR 255 Cb 0.07 -1.02 -0.03 0.00 -0.11 0.00 0.00 41.96 40.87 2wr3 s TYR 255 CO 0.73 0.40 0.02 0.20 -1.11 0.00 0.00 175.55 175.79 2wr3 s GLY 256 N -2.60 2.81 -0.11 0.71 0.00 -0.07 -4.68 107.32 103.38 2wr3 s GLY 256 Ca 0.17 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 43.89 2wr3 s GLY 256 CO 0.08 -2.11 -0.11 -1.36 0.00 0.00 0.00 173.10 169.60 2wr3 s PHE 257 N -2.91 1.71 0.37 1.90 0.40 0.40 -1.87 117.98 117.98 2wr3 s PHE 257 Ca 0.16 -0.85 -0.26 0.00 -0.60 0.00 0.00 56.93 55.38 2wr3 s PHE 257 Cb 0.04 -1.32 -0.09 0.00 0.51 0.00 0.00 43.02 42.16 2wr3 s PHE 257 CO 0.08 -0.52 1.18 0.15 0.70 0.00 0.00 175.22 176.82 2wr3 s LYS 258 N 1.42 4.18 -0.19 0.44 1.02 0.49 0.20 119.74 127.31 2wr3 s LYS 258 Ca 0.01 1.90 -0.12 0.00 0.02 0.00 0.00 55.97 57.78 2wr3 s LYS 258 Cb -0.13 -2.81 0.06 0.00 -0.52 0.00 0.00 37.83 34.43 2wr3 s LYS 258 CO -0.06 -0.23 0.46 -1.50 -0.92 0.00 0.00 175.35 173.10 2wr3 s ILE 259 N -1.33 -0.02 0.05 2.17 2.07 -0.33 -1.65 121.20 122.17 2wr3 s ILE 259 Ca 0.54 0.06 0.07 0.00 -1.41 0.00 0.00 60.65 59.91 2wr3 s ILE 259 Cb -0.32 -0.67 -0.03 0.00 0.13 0.00 0.00 42.46 41.57 2wr3 s ILE 259 CO 0.41 0.02 -0.20 -0.44 -1.91 0.00 0.00 174.94 172.83 2wr3 s SER 260 N 1.17 2.35 0.02 4.50 0.01 -0.73 -4.07 113.70 116.95 2wr3 s SER 260 Ca -0.07 -0.54 0.04 0.00 1.31 0.00 0.00 55.95 56.68 2wr3 s SER 260 Cb -0.07 -0.18 -0.02 0.00 0.21 0.00 0.00 66.02 65.97 2wr3 s SER 260 CO -0.11 0.12 -0.13 -0.75 0.41 0.00 0.00 173.24 172.78 2wr3 s LYS 261 N -1.32 0.94 -0.02 12.44 2.20 -1.26 -0.50 119.74 132.22 2wr3 s LYS 261 Ca 0.06 -0.65 -0.02 0.00 -0.36 0.00 0.00 55.97 55.01 2wr3 s LYS 261 Cb -0.09 -0.93 -0.01 0.00 -1.51 0.00 0.00 37.83 35.29 2wr3 s LYS 261 CO 0.02 0.24 -0.04 2.89 -0.36 0.00 0.00 175.35 178.10 2wr3 n ARG 262 N 2.19 0.07 0.00 4.03 -4.01 -1.26 -4.90 116.66 112.78 2wr3 n ARG 262 Ca -0.17 0.15 0.00 0.00 -1.04 0.00 0.00 57.85 56.79 2wr3 n ARG 262 Cb 0.55 -0.75 0.00 0.00 -3.04 0.00 0.00 32.46 29.22 2wr3 n ARG 262 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2wr3 n GLY 263 N 1.61 5.41 3.68 2.89 0.00 -1.26 -5.14 105.19 112.38 2wr3 n GLY 263 Ca -0.02 -1.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 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 3.77 0.00 1.61 0.15 -1.26 -4.66 113.70 114.31 2wr3 s SER 264 Ca 0.00 -1.61 0.00 0.00 0.70 0.00 0.00 55.95 55.04 2wr3 s SER 264 Cb 0.00 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 2wr3 s SER 264 CO 0.00 -0.80 0.00 -0.24 1.20 0.00 0.00 173.24 173.40 2wr3 n SER 265 N -1.21 2.60 -3.76 5.45 2.88 -1.26 -4.89 113.62 113.43 2wr3 n SER 265 Ca -0.14 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.30 2wr3 n SER 265 Cb 0.67 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.08 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 -0.03 -0.14 0.46 0.00 -1.26 -4.79 107.32 101.55 2wr3 s GLY 266 Ca 0.00 -0.29 -0.19 0.00 0.00 0.00 0.00 44.72 44.24 2wr3 s GLY 266 CO 0.00 -0.32 0.51 -0.42 0.00 0.00 0.00 173.10 172.87 2wr3 s ILE 267 N -3.88 5.15 -0.30 0.90 1.01 -1.26 -2.54 121.20 120.27 2wr3 s ILE 267 Ca 0.10 1.00 -0.08 0.00 0.00 0.00 0.00 60.65 61.66 2wr3 s ILE 267 Cb -0.00 -3.85 -0.00 0.00 0.01 0.00 0.00 42.46 38.62 2wr3 s ILE 267 CO -0.03 0.26 0.12 -0.32 0.00 0.00 0.00 174.94 174.98 2wr3 s MET 268 N 1.02 3.26 -0.09 2.79 -2.45 0.12 -4.88 119.30 119.07 2wr3 s MET 268 Ca 0.26 -0.76 -0.30 0.00 -1.25 0.00 0.00 55.69 53.65 2wr3 s MET 268 Cb -0.15 -3.48 -0.02 0.00 1.25 0.00 0.00 34.83 32.42 2wr3 s MET 268 CO 0.11 -0.41 1.20 0.15 1.05 0.00 0.00 175.02 177.11 2wr3 s LYS 269 N 1.57 4.32 0.00 4.11 3.01 -1.25 -2.34 119.74 129.16 2wr3 s LYS 269 Ca 0.04 1.64 0.00 0.00 -1.01 0.00 0.00 55.97 56.64 2wr3 s LYS 269 Cb -0.17 -3.62 0.00 0.00 -1.01 0.00 0.00 37.83 33.03 2wr3 s LYS 269 CO 0.05 -0.52 0.00 -2.37 0.51 0.00 0.00 175.35 173.02 2wr3 n THR 270 N 4.84 0.00 0.22 2.17 5.66 -0.96 -4.86 114.28 121.35 2wr3 n THR 270 Ca 0.12 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 61.23 2wr3 n THR 270 Cb 0.46 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.14 2wr3 n THR 270 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2wr3 n GLU 271 N -0.02 0.52 -0.95 1.09 4.71 -1.26 -4.09 120.64 120.64 2wr3 n GLU 271 Ca 0.00 -0.09 -0.34 0.00 -0.01 0.00 0.00 57.16 56.73 2wr3 n GLU 271 Cb 0.00 -1.59 0.11 0.00 -1.01 0.00 0.00 31.44 28.96 2wr3 n GLU 271 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2wr3 n LYS 272 N -2.20 -0.09 -4.39 3.49 5.02 -1.26 -5.02 118.16 113.70 2wr3 n LYS 272 Ca -0.01 0.03 -0.28 0.00 -2.02 0.00 0.00 58.31 56.02 2wr3 n LYS 272 Cb 0.52 -1.96 -0.13 0.00 -0.02 0.00 0.00 35.03 33.44 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 -2.25 2.16 0.27 -0.18 -4.23 -1.26 -5.03 115.64 105.12 2wr3 s THR 273 Ca 0.62 -1.71 -0.29 0.00 -1.18 0.00 0.00 61.69 59.13 2wr3 s THR 273 Cb -0.26 -1.91 -0.14 0.00 1.34 0.00 0.00 72.50 71.53 2wr3 s THR 273 CO 0.62 0.07 1.11 -0.11 -0.54 0.00 0.00 174.62 175.78 2wr3 n LEU 274 N 0.98 2.15 0.00 4.79 0.00 -1.26 -4.23 117.00 119.43 2wr3 n LEU 274 Ca -0.18 1.17 0.00 0.00 0.00 0.00 0.00 56.01 57.00 2wr3 n LEU 274 Cb 0.53 -1.32 0.00 0.00 0.00 0.00 0.00 43.42 42.63 2wr3 n LEU 274 CO 0.23 -1.15 -0.27 1.21 0.00 0.00 0.00 177.39 177.40 2wr3 n GLU 275 N 0.98 2.48 -1.17 1.96 2.13 -0.60 -4.97 120.64 121.46 2wr3 n GLU 275 Ca 0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.92 2wr3 n GLU 275 Cb 0.31 -0.74 0.00 0.00 0.27 0.00 0.00 31.44 31.28 2wr3 n GLU 275 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2wr3 n ASN 276 N -1.00 -1.56 0.00 4.31 5.15 -1.26 -5.08 115.26 115.82 2wr3 n ASN 276 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2wr3 n ASN 276 Cb 0.00 -0.52 0.00 0.00 -0.53 0.00 0.00 39.78 38.73 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 2.02 0.36 0.06 0.00 2.56 -1.26 -3.43 118.70 119.00 2wr3 s GLU 278 Ca 0.00 0.46 -0.07 0.00 0.00 0.00 0.00 54.97 55.36 2wr3 s GLU 278 Cb 0.00 0.15 -0.01 0.00 2.00 0.00 0.00 34.13 36.28 2wr3 s GLU 278 CO 0.00 -0.06 0.14 0.99 -0.56 0.00 0.00 175.26 175.78 2wr3 s THR 279 N 0.29 0.14 -1.55 -1.70 2.01 -0.62 -4.88 115.64 109.32 2wr3 s THR 279 Ca -0.01 -1.15 0.25 0.00 0.31 0.00 0.00 61.69 61.09 2wr3 s THR 279 Cb -0.03 -1.12 0.08 0.00 0.01 0.00 0.00 72.50 71.44 2wr3 s THR 279 CO -0.01 -0.63 1.34 2.29 -0.69 0.00 0.00 174.62 176.92 2wr3 n LYS 280 N 0.38 0.62 -3.54 4.92 0.00 -1.26 -2.51 118.16 116.78 2wr3 n LYS 280 Ca -0.17 -0.43 -0.04 0.00 -0.00 0.00 0.00 58.31 57.67 2wr3 n LYS 280 Cb 0.60 -1.49 -0.06 0.00 -0.00 0.00 0.00 35.03 34.08 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 2.76 2.46 0.10 0.00 2.00 -0.46 -1.24 119.66 125.27 2wr3 s GLN 282 Ca 0.02 -0.85 -0.01 0.00 -2.00 0.00 0.00 55.36 52.52 2wr3 s GLN 282 Cb -0.13 -2.48 -0.04 0.00 0.80 0.00 0.00 33.01 31.16 2wr3 s GLN 282 CO -0.17 0.55 0.01 0.95 -0.50 0.00 0.00 175.29 176.13 2wr3 s THR 283 N -1.22 0.23 -1.52 -0.34 -4.23 -0.92 -1.62 115.64 106.03 2wr3 s THR 283 Ca 0.23 -1.88 0.17 0.00 -1.18 0.00 0.00 61.69 59.02 2wr3 s THR 283 Cb -0.11 -1.84 0.32 0.00 1.34 0.00 0.00 72.50 72.20 2wr3 s THR 283 CO 0.15 -0.68 1.47 -2.65 -0.54 0.00 0.00 174.62 172.37 2wr3 n PRO 284 N -0.03 0.28 0.00 3.99 -0.02 -1.26 -2.10 135.00 135.87 2wr3 n PRO 284 Ca -0.09 0.11 -0.18 0.00 -2.02 0.00 0.00 63.50 61.32 2wr3 n PRO 284 Cb 0.63 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.46 2wr3 n PRO 284 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2wr3 h LEU 285 N 0.00 0.32 0.00 2.45 3.38 -1.95 -3.47 115.31 116.04 2wr3 h LEU 285 Ca 0.00 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.26 2wr3 h LEU 285 Cb 0.13 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2wr3 h LEU 285 CO 0.00 1.64 0.00 0.61 0.09 0.00 0.00 178.44 180.78 2wr3 n GLY 286 N 1.88 0.59 3.85 0.83 0.00 -0.89 -4.09 105.19 107.36 2wr3 n GLY 286 Ca -0.28 -1.12 -0.32 0.00 0.00 0.00 0.00 46.02 44.31 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 3.07 -0.10 4.61 0.00 -0.87 -2.17 121.76 124.30 2wr3 s ALA 287 Ca 0.00 0.12 0.04 0.00 0.00 0.00 0.00 51.96 52.12 2wr3 s ALA 287 Cb 0.00 -3.11 -0.00 0.00 0.00 0.00 0.00 23.12 20.01 2wr3 s ALA 287 CO 0.00 -0.34 -0.23 0.42 0.00 0.00 0.00 175.76 175.61 2wr3 s ILE 288 N -2.75 2.13 -0.26 0.00 -1.09 -0.37 -1.66 121.20 117.20 2wr3 s ILE 288 Ca 0.58 -0.99 0.01 0.00 -2.23 0.00 0.00 60.65 58.01 2wr3 s ILE 288 Cb -0.10 -1.82 0.07 0.00 -1.58 0.00 0.00 42.46 39.04 2wr3 s ILE 288 CO 0.37 0.56 0.00 0.21 -1.23 0.00 0.00 174.94 174.84 2wr3 s ASN 289 N 0.34 3.95 0.05 3.58 2.47 -1.26 -4.26 114.94 119.81 2wr3 s ASN 289 Ca -0.18 -1.39 -0.21 0.00 0.42 0.00 0.00 52.86 51.50 2wr3 s ASN 289 Cb -0.18 -1.13 0.05 0.00 -1.45 0.00 0.00 41.25 38.54 2wr3 s ASN 289 CO 0.09 -0.30 0.49 0.28 -3.72 0.00 0.00 177.10 173.94 2wr3 s THR 290 N 1.41 0.04 -0.14 -5.21 -1.32 -1.26 -5.01 115.64 104.13 2wr3 s THR 290 Ca 0.00 -0.30 0.22 0.00 -1.21 0.00 0.00 61.69 60.40 2wr3 s THR 290 Cb -0.18 -0.97 -0.25 0.00 -1.51 0.00 0.00 72.50 69.58 2wr3 s THR 290 CO -0.11 -0.17 0.65 0.41 -2.21 0.00 0.00 174.62 173.19 2wr3 n THR 291 N 0.42 0.14 -1.68 5.08 -1.04 -1.26 -5.02 114.28 110.92 2wr3 n THR 291 Ca -0.18 -0.48 -0.37 0.00 -2.04 0.00 0.00 64.05 60.98 2wr3 n THR 291 Cb 0.60 -0.02 0.07 0.00 -1.82 0.00 0.00 70.33 69.16 2wr3 n THR 291 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2wr3 n LEU 292 N -2.30 5.36 0.04 -4.42 4.77 -1.26 -4.93 117.00 114.26 2wr3 n LEU 292 Ca -0.03 0.81 0.13 0.00 -0.03 0.00 0.00 56.01 56.90 2wr3 n LEU 292 Cb 0.55 -1.51 0.40 0.00 -2.33 0.00 0.00 43.42 40.53 2wr3 n LEU 292 CO 0.44 -1.27 0.72 -0.81 -1.33 0.00 0.00 177.39 175.14 2wr3 n PRO 293 N -1.69 0.14 -4.08 3.23 -0.05 -1.26 -4.64 135.00 126.65 2wr3 n PRO 293 Ca 0.15 0.08 -0.12 0.00 -0.05 0.00 0.00 63.50 63.56 2wr3 n PRO 293 Cb 0.48 -1.63 -0.11 0.00 -0.05 0.00 0.00 33.50 32.19 2wr3 n PRO 293 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 175.50 175.39 2wr3 s PHE 294 N -3.06 0.68 0.08 0.54 0.08 -1.25 -1.05 117.98 114.00 2wr3 s PHE 294 Ca 0.11 -0.58 -0.07 0.00 0.12 0.00 0.00 56.93 56.50 2wr3 s PHE 294 Cb 0.16 -0.41 -0.01 0.00 -0.57 0.00 0.00 43.02 42.19 2wr3 s PHE 294 CO 0.62 -0.11 0.15 -3.38 -0.10 0.00 0.00 175.22 172.41 2wr3 s HIS 295 N -1.80 0.21 -0.09 0.36 -3.43 -0.27 -0.73 115.29 109.55 2wr3 s HIS 295 Ca -0.06 -0.66 0.13 0.00 -0.80 0.00 0.00 55.06 53.66 2wr3 s HIS 295 Cb -0.07 -0.11 0.22 0.00 -1.43 0.00 0.00 32.58 31.18 2wr3 s HIS 295 CO -0.01 -0.52 1.11 0.27 -2.00 0.00 0.00 174.74 173.60 2wr3 n ASN 296 N -0.03 1.58 0.16 7.38 6.94 -1.04 -1.84 115.26 128.41 2wr3 n ASN 296 Ca -0.15 -2.79 -0.14 0.00 -0.02 0.00 0.00 54.58 51.48 2wr3 n ASN 296 Cb 0.62 -0.37 -0.08 0.00 -2.36 0.00 0.00 39.78 37.60 2wr3 n ASN 296 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 2wr3 h ILE 297 N 2.33 0.76 -1.32 1.53 5.03 -1.89 -3.47 117.51 120.47 2wr3 h ILE 297 Ca -0.01 -0.09 0.13 0.00 -0.12 0.00 0.00 64.86 64.77 2wr3 h ILE 297 Cb 1.14 0.82 -0.30 0.00 -3.03 0.00 0.00 36.82 35.45 2wr3 h ILE 297 CO 0.00 0.02 0.66 -2.28 -0.68 0.00 0.00 178.15 175.87 2wr3 s HIS 298 N -5.94 -0.27 0.36 1.37 5.04 -1.26 -5.03 115.29 109.56 2wr3 s HIS 298 Ca -0.15 0.64 0.08 0.00 -1.54 0.00 0.00 55.06 54.09 2wr3 s HIS 298 Cb 0.05 0.39 0.68 0.00 0.04 0.00 0.00 32.58 33.74 2wr3 s HIS 298 CO 0.64 -0.13 1.87 -1.00 -2.34 0.00 0.00 174.74 173.77 2wr3 h PRO 299 N 3.99 0.30 -3.32 2.88 0.14 -1.98 -3.38 132.00 130.63 2wr3 h PRO 299 Ca -0.28 -0.08 -0.77 0.00 0.14 0.00 0.00 66.00 65.02 2wr3 h PRO 299 Cb 1.19 -0.04 -0.18 0.00 0.14 0.00 0.00 31.00 32.11 2wr3 h PRO 299 CO 0.16 0.46 1.78 1.28 0.14 0.00 0.00 178.00 181.82 2wr3 n LEU 300 N -4.23 6.68 -4.94 1.56 4.77 -1.26 -4.88 117.00 114.70 2wr3 n LEU 300 Ca -0.00 -4.78 -0.24 0.00 -0.03 0.00 0.00 56.01 50.95 2wr3 n LEU 300 Cb 0.30 -1.43 0.02 0.00 -2.33 0.00 0.00 43.42 39.98 2wr3 n LEU 300 CO 0.39 1.48 0.36 0.42 -1.33 0.00 0.00 177.39 178.71 2wr3 s THR 301 N -0.39 4.00 -0.05 -5.08 -4.23 -1.26 -4.33 115.64 104.30 2wr3 s THR 301 Ca 0.38 -0.31 -0.00 0.00 -1.18 0.00 0.00 61.69 60.58 2wr3 s THR 301 Cb 0.09 -3.51 0.03 0.00 1.34 0.00 0.00 72.50 70.45 2wr3 s THR 301 CO 0.02 -0.41 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.05 2wr3 s ILE 302 N -2.68 0.35 -3.94 2.99 1.01 -0.64 -3.82 121.20 114.47 2wr3 s ILE 302 Ca 0.50 0.06 0.00 0.00 0.00 0.00 0.00 60.65 61.20 2wr3 s ILE 302 Cb -0.10 -0.46 0.00 0.00 0.01 0.00 0.00 42.46 41.91 2wr3 s ILE 302 CO 0.40 0.22 0.00 0.61 0.00 0.00 0.00 174.94 176.17 2wr3 n GLY 303 N 4.60 0.84 3.36 6.18 0.00 -0.73 -1.36 105.19 118.07 2wr3 n GLY 303 Ca -0.17 -1.91 -0.45 0.00 0.00 0.00 0.00 46.02 43.48 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 -1.58 3.30 0.21 1.61 2.02 -0.30 -2.05 118.70 121.91 2wr3 s GLU 304 Ca 0.00 -1.82 0.07 0.00 0.02 0.00 0.00 54.97 53.25 2wr3 s GLU 304 Cb 0.00 -4.43 -0.04 0.00 0.10 0.00 0.00 34.13 29.76 2wr3 s GLU 304 CO 0.00 -1.47 0.06 0.00 0.02 0.00 0.00 175.26 173.88 2wr3 n PRO 306 N -0.55 0.86 -1.90 0.00 -0.02 -1.26 -4.91 135.00 127.22 2wr3 n PRO 306 Ca -0.08 0.35 -0.42 0.00 -2.02 0.00 0.00 63.50 61.33 2wr3 n PRO 306 Cb 0.56 -2.49 -0.03 0.00 -0.02 0.00 0.00 33.50 31.53 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 -3.53 4.20 0.13 -0.52 3.01 -0.22 -4.60 119.74 118.20 2wr3 s LYS 307 Ca 0.80 2.41 -0.28 0.00 -1.01 0.00 0.00 55.97 57.89 2wr3 s LYS 307 Cb -0.36 -3.13 -0.07 0.00 -1.01 0.00 0.00 37.83 33.27 2wr3 s LYS 307 CO 0.43 -0.61 0.87 -0.47 0.51 0.00 0.00 175.35 176.08 2wr3 s TYR 308 N 0.93 3.84 0.05 3.18 5.04 -1.26 -1.11 117.35 128.02 2wr3 s TYR 308 Ca 0.69 1.70 0.01 0.00 -2.44 0.00 0.00 57.07 57.03 2wr3 s TYR 308 Cb -0.45 -2.92 -0.03 0.00 0.35 0.00 0.00 41.96 38.91 2wr3 s TYR 308 CO 0.34 0.33 -0.05 0.08 -1.34 0.00 0.00 175.55 174.91 2wr3 s VAL 309 N -0.44 0.36 -0.23 3.14 1.01 -0.76 -4.78 120.40 118.69 2wr3 s VAL 309 Ca 0.41 -1.30 0.17 0.00 0.00 0.00 0.00 61.98 61.27 2wr3 s VAL 309 Cb -0.23 -0.84 0.13 0.00 0.00 0.00 0.00 36.38 35.44 2wr3 s VAL 309 CO 0.28 -0.62 1.46 0.11 0.00 0.00 0.00 175.10 176.33 2wr3 h LYS 310 N 4.05 0.00 -6.21 2.72 1.57 -1.89 -3.41 116.57 113.40 2wr3 h LYS 310 Ca -0.34 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.89 2wr3 h LYS 310 Cb 1.19 0.00 0.23 0.00 0.08 0.00 0.00 32.23 33.72 2wr3 h LYS 310 CO 0.49 0.35 -1.45 0.45 -0.57 0.00 0.00 179.45 178.72 2wr3 n SER 311 N -3.17 -4.74 -0.39 0.86 2.88 -1.26 -4.95 113.62 102.84 2wr3 n SER 311 Ca 0.02 0.27 0.04 0.00 -1.33 0.00 0.00 58.87 57.87 2wr3 n SER 311 Cb 0.68 -0.89 0.05 0.00 -0.75 0.00 0.00 64.21 63.30 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 2.16 0.84 -3.62 -3.46 5.68 -1.26 -4.82 116.55 112.07 2wr3 n ASP 312 Ca 0.01 -2.39 -0.01 0.00 -0.50 0.00 0.00 54.79 51.90 2wr3 n ASP 312 Cb 0.54 -0.28 -0.04 0.00 -1.14 0.00 0.00 41.12 40.20 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 -1.00 0.55 -0.46 0.11 0.52 -1.26 -5.10 118.95 112.31 2wr3 s ARG 313 Ca 0.12 1.32 0.03 0.00 -0.52 0.00 0.00 55.73 56.68 2wr3 s ARG 313 Cb 0.11 0.71 0.15 0.00 0.52 0.00 0.00 34.95 36.44 2wr3 s ARG 313 CO 0.00 -0.18 0.30 -0.51 0.02 0.00 0.00 175.30 174.93 2wr3 s LEU 314 N 2.65 2.47 -0.34 2.53 1.43 -1.26 -5.02 118.68 121.14 2wr3 s LEU 314 Ca -0.06 -2.85 -0.09 0.00 -1.03 0.00 0.00 54.13 50.10 2wr3 s LEU 314 Cb -0.10 -0.90 0.02 0.00 0.03 0.00 0.00 46.19 45.24 2wr3 s LEU 314 CO -0.19 -0.22 0.15 -0.69 0.23 0.00 0.00 176.35 175.63 2wr3 s VAL 315 N 0.11 4.25 0.08 -1.59 1.01 -1.26 0.52 120.40 123.52 2wr3 s VAL 315 Ca 0.22 -0.83 -0.31 0.00 0.00 0.00 0.00 61.98 61.06 2wr3 s VAL 315 Cb -0.15 -3.32 -0.06 0.00 0.00 0.00 0.00 36.38 32.86 2wr3 s VAL 315 CO -0.07 -0.11 1.20 -0.76 0.00 0.00 0.00 175.10 175.36 2wr3 s LEU 316 N 1.51 4.38 0.25 3.92 1.02 -0.24 -4.69 118.68 124.84 2wr3 s LEU 316 Ca 0.02 2.05 -0.30 0.00 0.02 0.00 0.00 54.13 55.92 2wr3 s LEU 316 Cb -0.19 -3.58 -0.09 0.00 0.02 0.00 0.00 46.19 42.35 2wr3 s LEU 316 CO 0.05 -0.46 1.12 0.00 0.02 0.00 0.00 176.35 177.07 2wr3 s ALA 317 N 0.93 3.41 -0.00 4.21 0.00 -1.26 -1.29 121.76 127.75 2wr3 s ALA 317 Ca 0.58 0.90 0.00 0.00 0.00 0.00 0.00 51.96 53.44 2wr3 s ALA 317 Cb -0.30 -3.34 -0.00 0.00 0.00 0.00 0.00 23.12 19.47 2wr3 s ALA 317 CO 0.30 -0.20 -0.00 0.25 0.00 0.00 0.00 175.76 176.10 2wr3 n THR 318 N 1.56 0.01 -0.94 0.00 -2.24 -0.29 -4.89 114.28 107.49 2wr3 n THR 318 Ca 0.00 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2wr3 n THR 318 Cb 0.45 -0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 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 3.45 -0.87 3.96 3.38 0.00 -0.46 -4.91 105.19 109.73 2wr3 n GLY 319 Ca -0.00 -1.69 -0.21 0.00 0.00 0.00 0.00 46.02 44.11 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 3.15 0.42 0.99 0.05 -1.26 -4.64 118.68 117.39 2wr3 s LEU 320 Ca 0.00 -0.87 -0.26 0.00 0.05 0.00 0.00 54.13 53.05 2wr3 s LEU 320 Cb 0.00 -1.77 -0.09 0.00 -2.05 0.00 0.00 46.19 42.27 2wr3 s LEU 320 CO 0.00 -1.02 1.43 -1.14 -0.55 0.00 0.00 176.35 175.07 2wr3 n ARG 321 N -1.89 2.35 -3.66 1.48 0.63 -1.26 -1.70 116.66 112.61 2wr3 n ARG 321 Ca 0.07 0.83 -0.39 0.00 -0.92 0.00 0.00 57.85 57.44 2wr3 n ARG 321 Cb 0.62 -2.61 -0.11 0.00 0.45 0.00 0.00 32.46 30.82 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 -0.37 5.52 -0.07 6.15 2.47 -0.55 -4.79 114.94 123.30 2wr3 s ASN 322 Ca 0.58 -1.46 0.03 0.00 0.42 0.00 0.00 52.86 52.43 2wr3 s ASN 322 Cb -0.47 -1.94 0.01 0.00 -1.45 0.00 0.00 41.25 37.40 2wr3 s ASN 322 CO 0.60 -0.48 -0.16 0.68 -3.72 0.00 0.00 177.10 174.01 2wr3 s VAL 323 N 1.39 1.41 0.06 -5.21 -7.23 -1.26 -4.83 120.40 104.73 2wr3 s VAL 323 Ca 0.02 -0.65 0.00 0.00 -1.81 0.00 0.00 61.98 59.54 2wr3 s VAL 323 Cb -0.22 -1.25 0.00 0.00 0.56 0.00 0.00 36.38 35.47 2wr3 s VAL 323 CO 0.02 0.41 0.21 -2.65 -0.31 0.00 0.00 175.10 172.78 2wr3 n PRO 324 N 3.61 0.00 0.00 4.82 -0.02 -1.26 -1.22 135.00 140.93 2wr3 n PRO 324 Ca -0.21 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 2wr3 n PRO 324 Cb 0.52 -0.70 0.00 0.00 -0.02 0.00 0.00 33.50 33.31 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 -0.46 -0.03 0.20 -1.23 0.00 -0.81 -4.63 105.19 98.23 2wr3 n GLY 330 Ca 0.00 0.54 0.09 0.00 0.00 0.00 0.00 46.02 46.65 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 0.00 -1.17 0.99 5.85 -1.92 -3.19 115.31 115.87 2wr3 h LEU 331 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2wr3 h LEU 331 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2wr3 h LEU 331 CO 0.00 0.22 -0.03 0.49 -0.34 0.00 0.00 178.44 178.78 2wr3 n PHE 332 N -3.21 0.00 -0.65 1.25 3.01 -1.26 -5.01 117.46 111.59 2wr3 n PHE 332 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 2wr3 n PHE 332 Cb 0.54 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.01 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 0.50 0.76 0.02 1.37 0.00 -1.21 -4.93 105.19 101.71 2wr3 n GLY 333 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.06 0.11 -1.88 4.61 0.00 -1.26 0.22 120.51 122.25 2wr3 n ALA 334 Ca 0.00 -0.29 -0.42 0.00 0.00 0.00 0.00 53.44 52.74 2wr3 n ALA 334 Cb 0.00 0.00 -0.02 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 -1.14 2.60 -0.82 0.00 1.01 -1.26 -0.22 121.20 121.36 2wr3 s ILE 335 Ca -0.02 0.49 0.00 0.00 0.00 0.00 0.00 60.65 61.12 2wr3 s ILE 335 Cb 0.00 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 39.16 2wr3 s ILE 335 CO 0.03 0.07 0.00 0.00 0.00 0.00 0.00 174.94 175.04 2wr3 n ALA 336 N 2.65 -0.53 -2.77 9.38 0.00 -1.22 -1.92 120.51 126.10 2wr3 n ALA 336 Ca 0.08 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2wr3 n ALA 336 Cb 0.40 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.48 3.14 0.27 0.00 0.00 0.69 -4.70 105.19 104.11 2wr3 n GLY 337 Ca -0.10 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.12 1.61 -5.15 -0.05 -3.20 116.94 107.02 2wr3 h PHE 338 Ca 0.00 0.00 -0.75 0.00 -0.20 0.00 0.00 57.97 57.02 2wr3 h PHE 338 Cb 0.00 0.00 -0.23 0.00 0.22 0.00 0.00 35.95 35.94 2wr3 h PHE 338 CO 0.00 0.08 -0.12 0.42 -2.00 0.00 0.00 178.31 176.70 2wr3 s ILE 339 N -4.41 5.18 -0.76 0.88 1.01 -0.92 -4.12 121.20 118.05 2wr3 s ILE 339 Ca -0.04 -1.51 0.26 0.00 0.00 0.00 0.00 60.65 59.36 2wr3 s ILE 339 Cb 0.14 -4.39 0.28 0.00 0.01 0.00 0.00 42.46 38.51 2wr3 s ILE 339 CO 0.59 -0.94 1.79 -1.84 0.00 0.00 0.00 174.94 174.54 2wr3 n GLU 340 N 5.32 0.23 -4.02 2.79 0.00 -1.21 -3.38 120.64 120.37 2wr3 n GLU 340 Ca -0.10 0.19 -0.08 0.00 0.00 0.00 0.00 57.16 57.18 2wr3 n GLU 340 Cb 0.41 -1.77 -0.09 0.00 0.00 0.00 0.00 31.44 29.99 2wr3 n GLU 340 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2wr3 s GLY 341 N -3.52 0.43 0.42 -1.84 0.00 -1.26 -4.61 107.32 96.95 2wr3 s GLY 341 Ca 0.11 -1.06 -0.00 0.00 0.00 0.00 0.00 44.72 43.77 2wr3 s GLY 341 CO 0.59 -1.15 0.64 -0.32 0.00 0.00 0.00 173.10 172.85 2wr3 s GLY 342 N -2.92 1.48 -0.37 0.20 0.00 -0.36 -4.71 107.32 100.64 2wr3 s GLY 342 Ca 0.09 -0.96 -0.14 0.00 0.00 0.00 0.00 44.72 43.71 2wr3 s GLY 342 CO -0.08 -0.83 0.27 -0.98 0.00 0.00 0.00 173.10 171.47 2wr3 s TRP 343 N -2.48 3.23 0.39 1.90 0.51 -0.27 -4.78 118.94 117.43 2wr3 s TRP 343 Ca 0.45 -0.43 0.12 0.00 -2.12 0.00 0.00 56.10 54.12 2wr3 s TRP 343 Cb -0.10 -2.53 0.91 0.00 -0.81 0.00 0.00 33.47 30.95 2wr3 s TRP 343 CO 0.38 -0.48 1.89 1.96 -0.51 0.00 0.00 176.95 180.19 2wr3 h GLN 344 N 8.55 0.56 0.00 4.98 1.08 -1.89 -2.25 115.11 126.15 2wr3 h GLN 344 Ca -0.29 -0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 56.75 2wr3 h GLN 344 Cb 1.14 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 28.42 2wr3 h GLN 344 CO 0.68 0.37 -0.58 0.78 -0.95 0.00 0.00 178.83 179.13 2wr3 h GLY 345 N 0.58 0.00 -6.58 3.46 0.00 -1.91 -3.43 103.07 95.19 2wr3 h GLY 345 Ca 0.41 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 47.15 2wr3 h GLY 345 CO -0.16 0.00 0.67 -0.29 0.00 0.00 0.00 176.54 176.76 2wr3 s MET 346 N -3.50 3.72 -0.40 4.80 -2.45 -1.22 -4.93 119.30 115.31 2wr3 s MET 346 Ca -0.01 0.46 0.10 0.00 -1.25 0.00 0.00 55.69 54.99 2wr3 s MET 346 Cb 0.12 -3.86 0.32 0.00 1.25 0.00 0.00 34.83 32.65 2wr3 s MET 346 CO 0.75 -1.13 0.69 1.33 1.05 0.00 0.00 175.02 177.71 2wr3 n VAL 347 N 6.30 0.05 -1.59 10.11 0.24 -1.26 -4.63 118.33 127.55 2wr3 n VAL 347 Ca 0.08 -4.54 0.00 0.00 -2.04 0.00 0.00 64.34 57.84 2wr3 n VAL 347 Cb 0.48 -0.89 0.00 0.00 -1.47 0.00 0.00 33.84 31.96 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 0.57 0.00 -3.54 -1.34 5.75 -1.26 -5.14 116.55 111.59 2wr3 n ASP 348 Ca 0.25 -1.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.01 2wr3 n ASP 348 Cb 0.59 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.69 2wr3 n ASP 348 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2wr3 s GLY 349 N 0.00 -0.06 -0.14 6.12 0.00 -1.26 -4.94 107.32 107.03 2wr3 s GLY 349 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 44.72 44.64 2wr3 s GLY 349 CO 0.00 1.97 0.27 0.79 0.00 0.00 0.00 173.10 176.14 2wr3 n TRP 350 N -0.65 0.97 -4.82 1.90 8.01 -1.26 -4.56 117.44 117.03 2wr3 n TRP 350 Ca -0.04 0.22 -0.28 0.00 -1.31 0.00 0.00 57.50 56.09 2wr3 n TRP 350 Cb 0.60 -1.13 -0.14 0.00 -2.01 0.00 0.00 31.31 28.62 2wr3 n TRP 350 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 2wr3 s TYR 351 N -2.55 2.14 0.21 -5.99 1.51 -1.26 0.14 117.35 111.53 2wr3 s TYR 351 Ca -0.23 -0.40 -0.13 0.00 -1.01 0.00 0.00 57.07 55.30 2wr3 s TYR 351 Cb 0.07 -1.28 0.05 0.00 -0.11 0.00 0.00 41.96 40.69 2wr3 s TYR 351 CO 0.74 0.11 0.66 0.41 -1.11 0.00 0.00 175.55 176.37 2wr3 n GLY 352 N 1.81 1.02 3.60 0.71 0.00 -0.21 -1.01 105.19 111.11 2wr3 n GLY 352 Ca -0.17 -1.14 -0.28 0.00 0.00 0.00 0.00 46.02 44.44 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 -3.60 2.72 -0.22 1.61 1.51 -1.01 -0.76 117.35 117.59 2wr3 s TYR 353 Ca 0.14 -0.18 -0.04 0.00 -1.01 0.00 0.00 57.07 55.98 2wr3 s TYR 353 Cb -0.03 -1.35 0.07 0.00 -0.11 0.00 0.00 41.96 40.55 2wr3 s TYR 353 CO 0.06 0.49 0.09 -1.58 -1.11 0.00 0.00 175.55 173.50 2wr3 s HIS 354 N -1.57 0.61 0.02 2.71 2.46 0.39 -1.75 115.29 118.16 2wr3 s HIS 354 Ca 0.24 -0.75 -0.07 0.00 0.47 0.00 0.00 55.06 54.95 2wr3 s HIS 354 Cb -0.10 -0.94 -0.05 0.00 -0.13 0.00 0.00 32.58 31.36 2wr3 s HIS 354 CO 0.16 -0.66 0.30 -3.38 -2.47 0.00 0.00 174.74 168.68 2wr3 s HIS 355 N 2.00 3.59 -0.22 3.88 -3.43 -0.92 -1.03 115.29 119.16 2wr3 s HIS 355 Ca 0.04 0.63 -0.05 0.00 -0.80 0.00 0.00 55.06 54.88 2wr3 s HIS 355 Cb -0.16 -2.03 -0.02 0.00 -1.43 0.00 0.00 32.58 28.94 2wr3 s HIS 355 CO -0.17 0.60 -0.01 -1.12 -2.00 0.00 0.00 174.74 172.03 2wr3 s SER 356 N -1.67 4.56 0.18 7.38 0.01 0.27 -4.06 113.70 120.37 2wr3 s SER 356 Ca 0.28 -0.31 -0.00 0.00 1.31 0.00 0.00 55.95 57.23 2wr3 s SER 356 Cb -0.13 -1.79 -0.04 0.00 0.21 0.00 0.00 66.02 64.26 2wr3 s SER 356 CO 0.16 0.00 0.07 0.21 0.41 0.00 0.00 173.24 174.09 2wr3 s ASN 357 N 1.37 0.58 0.24 2.44 2.47 -0.57 -2.99 114.94 118.48 2wr3 s ASN 357 Ca 0.04 -1.28 -0.06 0.00 0.42 0.00 0.00 52.86 51.99 2wr3 s ASN 357 Cb -0.14 0.26 0.24 0.00 -1.45 0.00 0.00 41.25 40.15 2wr3 s ASN 357 CO -0.01 -0.73 1.81 0.44 -3.72 0.00 0.00 177.10 174.90 2wr3 h ASP 358 N 2.69 1.03 0.30 -4.21 5.19 -2.00 -3.28 116.42 116.14 2wr3 h ASP 358 Ca -0.36 -0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 55.88 2wr3 h ASP 358 Cb 1.22 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 40.47 2wr3 h ASP 358 CO 0.58 0.91 -0.14 1.56 -3.12 0.00 0.00 179.24 179.03 2wr3 h GLN 359 N 1.10 -0.39 0.00 3.56 7.50 -1.96 -3.50 115.11 121.42 2wr3 h GLN 359 Ca 0.26 0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.43 2wr3 h GLN 359 Cb 0.19 0.09 0.00 0.00 0.05 0.00 0.00 27.48 27.81 2wr3 h GLN 359 CO -0.02 -0.09 0.00 0.41 -1.50 0.00 0.00 178.83 177.62 2wr3 n GLY 360 N 0.39 3.67 0.00 3.46 0.00 -1.24 -5.17 105.19 106.31 2wr3 n GLY 360 Ca -0.08 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2wr3 n GLY 360 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wr3 n SER 361 N 0.00 0.00 0.00 1.61 3.41 -1.26 -1.51 113.62 115.87 2wr3 n SER 361 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2wr3 n SER 361 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2wr3 n SER 361 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wr3 n GLY 362 N 0.00 0.00 3.59 5.00 0.00 -1.26 -5.00 105.19 107.53 2wr3 n GLY 362 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 2.60 -0.31 1.61 1.51 -1.26 -2.16 117.35 119.35 2wr3 s TYR 363 Ca 0.00 0.63 -0.00 0.00 -1.01 0.00 0.00 57.07 56.68 2wr3 s TYR 363 Cb 0.00 -4.42 0.10 0.00 -0.11 0.00 0.00 41.96 37.53 2wr3 s TYR 363 CO 0.00 -1.60 0.09 0.00 -1.11 0.00 0.00 175.55 172.93 2wr3 s ALA 364 N 5.00 1.66 0.63 3.71 0.00 -0.72 -5.02 121.76 127.02 2wr3 s ALA 364 Ca 0.51 -1.74 -0.18 0.00 0.00 0.00 0.00 51.96 50.56 2wr3 s ALA 364 Cb -0.09 -1.65 -0.02 0.00 0.00 0.00 0.00 23.12 21.36 2wr3 s ALA 364 CO 0.30 -1.66 1.20 0.00 0.00 0.00 0.00 175.76 175.61 2wr3 s ALA 365 N 1.55 2.45 -0.47 0.00 0.00 -1.26 -2.41 121.76 121.61 2wr3 s ALA 365 Ca 0.10 0.95 -0.21 0.00 0.00 0.00 0.00 51.96 52.79 2wr3 s ALA 365 Cb -0.17 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.53 2wr3 s ALA 365 CO -0.23 -1.33 0.72 0.34 0.00 0.00 0.00 175.76 175.26 2wr3 s ASP 366 N -1.76 6.32 0.01 0.00 3.68 -0.18 -4.87 116.67 119.88 2wr3 s ASP 366 Ca 0.76 -0.42 -0.20 0.00 2.13 0.00 0.00 52.55 54.83 2wr3 s ASP 366 Cb -0.30 -2.35 -0.21 0.00 -1.45 0.00 0.00 42.92 38.61 2wr3 s ASP 366 CO 0.36 -0.91 1.14 0.07 0.13 0.00 0.00 175.17 175.97 2wr3 h LYS 367 N 9.00 0.42 -0.97 4.34 5.09 -1.93 -2.17 116.57 130.36 2wr3 h LYS 367 Ca -0.26 -0.40 0.29 0.00 0.09 0.00 0.00 60.65 60.37 2wr3 h LYS 367 Cb 1.09 0.10 -0.17 0.00 0.10 0.00 0.00 32.23 33.35 2wr3 h LYS 367 CO 0.96 1.06 0.16 1.49 -2.09 0.00 0.00 179.45 181.03 2wr3 h GLU 368 N -0.06 0.04 0.00 0.07 4.22 -1.97 -2.03 114.58 114.85 2wr3 h GLU 368 Ca -0.05 -0.00 -0.34 0.00 0.08 0.00 0.00 59.36 59.04 2wr3 h GLU 368 Cb 1.21 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.39 2wr3 h GLU 368 CO 0.11 0.03 -2.29 -1.13 -2.18 0.00 0.00 179.01 173.54 2wr3 n SER 369 N -5.40 1.76 0.03 1.04 3.41 -1.24 -4.01 113.62 109.21 2wr3 n SER 369 Ca 0.26 -0.09 0.16 0.00 -0.26 0.00 0.00 58.87 58.93 2wr3 n SER 369 Cb 0.84 -0.00 0.63 0.00 -0.26 0.00 0.00 64.21 65.42 2wr3 n SER 369 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2wr3 h THR 370 N 0.00 0.83 0.41 6.66 2.02 -1.26 -1.96 112.91 119.61 2wr3 h THR 370 Ca -0.51 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 66.61 2wr3 h THR 370 Cb 1.88 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 69.00 2wr3 h THR 370 CO -0.05 0.02 -0.20 -0.61 0.37 0.00 0.00 175.52 175.05 2wr3 h GLN 371 N 0.11 -0.53 -0.28 6.66 5.75 -1.54 -2.06 115.11 123.23 2wr3 h GLN 371 Ca 0.21 0.04 0.08 0.00 -0.15 0.00 0.00 58.65 58.83 2wr3 h GLN 371 Cb 0.69 0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.35 2wr3 h GLN 371 CO -0.02 -0.25 0.31 -0.22 -2.65 0.00 0.00 178.83 176.00 2wr3 h LYS 372 N -0.78 0.00 0.16 1.69 3.64 -1.50 -1.13 116.57 118.65 2wr3 h LYS 372 Ca -0.06 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.10 2wr3 h LYS 372 Cb 0.53 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.37 2wr3 h LYS 372 CO 0.09 0.00 -1.03 0.00 -2.27 0.00 0.00 179.45 176.24 2wr3 h ALA 373 N 1.64 -0.07 -0.63 5.00 0.00 -1.25 -2.57 119.26 121.39 2wr3 h ALA 373 Ca 0.13 -0.79 0.10 0.00 0.00 0.00 0.00 54.91 54.36 2wr3 h ALA 373 Cb 0.75 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.63 2wr3 h ALA 373 CO -0.00 0.50 0.24 0.27 0.00 0.00 0.00 179.25 180.26 2wr3 h PHE 374 N -0.27 0.41 -0.10 0.00 -0.00 -0.51 -0.45 116.94 116.03 2wr3 h PHE 374 Ca -0.19 0.03 -0.01 0.00 -0.00 0.00 0.00 57.97 57.81 2wr3 h PHE 374 Cb 1.76 -0.09 -0.00 0.00 -0.00 0.00 0.00 35.95 37.62 2wr3 h PHE 374 CO 0.17 0.10 0.04 -0.44 -0.00 0.00 0.00 178.31 178.18 2wr3 h ASP 375 N 0.41 0.14 0.17 -0.68 3.32 -1.43 -0.02 116.42 118.33 2wr3 h ASP 375 Ca 0.32 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.23 2wr3 h ASP 375 Cb 0.41 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2wr3 h ASP 375 CO -0.32 0.25 -0.21 1.23 -1.72 0.00 0.00 179.24 178.47 2wr3 h GLY 376 N 0.01 -0.42 2.00 2.75 0.00 -1.00 0.17 103.07 106.59 2wr3 h GLY 376 Ca 0.03 0.24 -0.06 0.00 0.00 0.00 0.00 47.33 47.54 2wr3 h GLY 376 CO -0.00 -0.20 -0.29 -2.22 0.00 0.00 0.00 176.54 173.83 2wr3 h ILE 377 N -0.43 0.83 0.31 2.60 5.03 -1.09 0.05 117.51 124.82 2wr3 h ILE 377 Ca 0.01 -1.18 -0.02 0.00 -0.12 0.00 0.00 64.86 63.55 2wr3 h ILE 377 Cb 0.42 1.72 0.00 0.00 -3.03 0.00 0.00 36.82 35.93 2wr3 h ILE 377 CO -0.08 0.29 -0.15 0.74 -0.68 0.00 0.00 178.15 178.27 2wr3 h THR 378 N 0.00 0.71 -0.98 -0.27 2.02 -0.47 -2.45 112.91 111.48 2wr3 h THR 378 Ca -0.00 -0.39 0.12 0.00 0.77 0.00 0.00 66.41 66.90 2wr3 h THR 378 Cb 0.70 0.92 -0.08 0.00 -1.74 0.00 0.00 68.15 67.95 2wr3 h THR 378 CO 0.04 0.08 0.62 0.78 0.37 0.00 0.00 175.52 177.41 2wr3 h ASN 379 N -0.64 0.89 0.34 4.18 2.35 -0.20 -1.46 115.58 121.03 2wr3 h ASN 379 Ca -0.04 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 2wr3 h ASN 379 Cb 0.45 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.69 2wr3 h ASN 379 CO 0.07 0.47 -0.16 0.50 -1.65 0.00 0.00 177.43 176.66 2wr3 h LYS 380 N 0.95 -0.44 -0.43 0.81 3.64 -0.96 0.94 116.57 121.08 2wr3 h LYS 380 Ca 0.48 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.94 2wr3 h LYS 380 Cb 0.51 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.38 2wr3 h LYS 380 CO -0.25 -0.20 0.17 0.28 -2.27 0.00 0.00 179.45 177.18 2wr3 h VAL 381 N -0.62 0.90 0.00 2.00 2.07 -1.23 -1.54 116.25 117.83 2wr3 h VAL 381 Ca -0.05 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 2wr3 h VAL 381 Cb 0.45 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2wr3 h VAL 381 CO 0.08 0.06 -0.14 0.78 0.02 0.00 0.00 177.57 178.37 2wr3 h ASN 382 N 0.35 0.00 0.23 0.57 2.35 -1.14 -2.32 115.58 115.63 2wr3 h ASN 382 Ca 0.20 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 2wr3 h ASN 382 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 2wr3 h ASN 382 CO -0.18 0.14 -0.11 0.28 -1.65 0.00 0.00 177.43 175.91 2wr3 h SER 383 N 0.00 -0.26 -0.99 5.81 0.02 0.22 0.14 113.55 118.49 2wr3 h SER 383 Ca -0.00 -0.21 0.12 0.00 -0.84 0.00 0.00 61.79 60.86 2wr3 h SER 383 Cb 0.35 0.07 -0.08 0.00 0.14 0.00 0.00 62.40 62.87 2wr3 h SER 383 CO 0.02 0.08 0.62 0.58 -1.14 0.00 0.00 176.83 177.00 2wr3 h VAL 384 N -0.63 0.93 0.19 2.27 2.07 -1.34 -2.42 116.25 117.31 2wr3 h VAL 384 Ca -0.03 -0.33 -0.25 0.00 0.82 0.00 0.00 66.70 66.90 2wr3 h VAL 384 Cb 0.45 -0.13 0.03 0.00 -1.52 0.00 0.00 31.29 30.12 2wr3 h VAL 384 CO 0.05 0.18 -1.11 0.40 0.02 0.00 0.00 177.57 177.11 2wr3 h ILE 385 N 0.97 1.40 -0.00 4.57 2.04 -1.37 -3.38 117.51 121.74 2wr3 h ILE 385 Ca 0.48 -2.60 0.00 0.00 1.00 0.00 0.00 64.86 63.74 2wr3 h ILE 385 Cb 0.49 3.13 0.00 0.00 -0.74 0.00 0.00 36.82 39.70 2wr3 h ILE 385 CO -0.25 0.76 -0.18 0.00 0.00 0.00 0.00 178.15 178.48 2wr3 n ALA 386 N -2.70 2.79 0.76 1.87 0.00 0.48 -3.40 120.51 120.31 2wr3 n ALA 386 Ca -0.15 -0.20 0.12 0.00 0.00 0.00 0.00 53.44 53.20 2wr3 n ALA 386 Cb 0.95 -1.34 0.21 0.00 0.00 0.00 0.00 19.45 19.27 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 -1.45 0.16 -2.28 0.00 4.76 -0.93 -4.84 118.16 113.59 2wr3 n LYS 387 Ca 0.07 0.04 -0.42 0.00 -2.87 0.00 0.00 58.31 55.13 2wr3 n LYS 387 Cb 0.33 -1.60 -0.02 0.00 -1.84 0.00 0.00 35.03 31.90 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 -3.09 3.37 -0.17 1.97 1.75 -1.22 -4.97 119.30 116.94 2wr3 s MET 388 Ca 0.08 0.83 -0.29 0.00 -1.25 0.00 0.00 55.69 55.06 2wr3 s MET 388 Cb 0.15 -4.11 -0.01 0.00 2.84 0.00 0.00 34.83 33.70 2wr3 s MET 388 CO 0.71 -1.83 1.18 1.21 -0.65 0.00 0.00 175.02 175.64 2wr3 s ASN 389 N 4.78 7.02 -0.32 1.11 3.04 -1.26 -5.01 114.94 124.29 2wr3 s ASN 389 Ca 0.62 1.61 -0.00 0.00 0.04 0.00 0.00 52.86 55.13 2wr3 s ASN 389 Cb -0.14 -2.54 0.10 0.00 -1.54 0.00 0.00 41.25 37.13 2wr3 s ASN 389 CO 0.29 -0.70 0.10 0.42 -3.04 0.00 0.00 177.10 174.18 2wr3 s THR 390 N 3.19 1.01 0.91 -5.21 -4.23 -1.26 -5.07 115.64 104.97 2wr3 s THR 390 Ca 0.51 -1.55 -0.13 0.00 -1.18 0.00 0.00 61.69 59.34 2wr3 s THR 390 Cb -0.20 -1.76 0.18 0.00 1.34 0.00 0.00 72.50 72.06 2wr3 s THR 390 CO 0.13 -0.69 1.26 0.00 -0.54 0.00 0.00 174.62 174.78 2wr3 s GLN 391 N 1.48 0.90 -0.10 3.99 -2.07 -1.26 -4.83 119.66 117.77 2wr3 s GLN 391 Ca 0.10 -0.49 -0.23 0.00 -1.82 0.00 0.00 55.36 52.93 2wr3 s GLN 391 Cb -0.18 -1.93 -0.03 0.00 -1.09 0.00 0.00 33.01 29.78 2wr3 s GLN 391 CO -0.22 -2.20 0.68 0.12 -1.32 0.00 0.00 175.29 172.34 2wr3 s PHE 392 N -3.75 3.52 0.17 9.60 5.36 -1.26 -4.33 117.98 127.30 2wr3 s PHE 392 Ca 0.72 1.16 -0.01 0.00 -0.96 0.00 0.00 56.93 57.84 2wr3 s PHE 392 Cb -0.05 -2.79 -0.04 0.00 -0.34 0.00 0.00 43.02 39.80 2wr3 s PHE 392 CO 0.51 0.03 0.09 -1.21 -1.46 0.00 0.00 175.22 173.18 2wr3 s GLU 393 N 1.07 1.07 0.00 10.12 8.01 -0.87 -4.99 118.70 133.12 2wr3 s GLU 393 Ca 0.35 -1.54 0.00 0.00 0.01 0.00 0.00 54.97 53.79 2wr3 s GLU 393 Cb -0.17 0.23 0.00 0.00 -4.31 0.00 0.00 34.13 29.88 2wr3 s GLU 393 CO 0.15 -0.32 0.08 0.00 0.01 0.00 0.00 175.26 175.18 2wr3 n ALA 394 N -0.19 2.05 -0.40 5.21 0.00 -1.26 -1.78 120.51 124.15 2wr3 n ALA 394 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2wr3 n ALA 394 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 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 -0.84 0.00 -1.66 0.00 0.31 -1.25 -4.49 118.33 110.40 2wr3 n VAL 395 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 2wr3 n VAL 395 Cb 0.00 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 32.95 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 0.20 3.37 2.92 0.00 -1.26 -5.03 105.19 105.39 2wr3 n GLY 396 Ca 0.00 0.14 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.20 1.46 -0.03 1.61 1.02 -1.26 -4.76 119.74 115.57 2wr3 s LYS 397 Ca 0.63 -1.56 0.05 0.00 0.02 0.00 0.00 55.97 55.11 2wr3 s LYS 397 Cb -0.52 0.36 -0.01 0.00 -0.52 0.00 0.00 37.83 37.15 2wr3 s LYS 397 CO 0.56 -0.55 -0.17 -1.21 -0.92 0.00 0.00 175.35 173.06 2wr3 s GLU 398 N -3.89 1.67 -0.02 1.68 0.41 -1.26 -5.10 118.70 112.19 2wr3 s GLU 398 Ca 0.33 -0.62 -0.00 0.00 -0.41 0.00 0.00 54.97 54.27 2wr3 s GLU 398 Cb 0.03 -1.50 0.03 0.00 -1.78 0.00 0.00 34.13 30.91 2wr3 s GLU 398 CO 0.14 0.29 0.03 -0.06 -0.49 0.00 0.00 175.26 175.17 2wr3 s PHE 399 N -0.12 0.02 0.97 1.61 0.08 -1.26 -4.98 117.98 114.30 2wr3 s PHE 399 Ca -0.00 0.13 -0.11 0.00 0.12 0.00 0.00 56.93 57.07 2wr3 s PHE 399 Cb -0.10 -0.20 0.18 0.00 -0.57 0.00 0.00 43.02 42.33 2wr3 s PHE 399 CO 0.01 -0.08 1.12 -1.54 -0.10 0.00 0.00 175.22 174.63 2wr3 s SER 400 N 0.92 2.43 0.00 1.36 1.04 -1.26 -4.87 113.70 113.31 2wr3 s SER 400 Ca -0.08 2.07 0.17 0.00 0.48 0.00 0.00 55.95 58.59 2wr3 s SER 400 Cb -0.11 -2.52 0.97 0.00 0.10 0.00 0.00 66.02 64.45 2wr3 s SER 400 CO -0.03 -3.39 1.41 -0.46 0.98 0.00 0.00 173.24 171.75 2wr3 n ASN 401 N -4.42 0.00 -1.21 7.02 6.94 -1.26 -0.83 115.26 121.50 2wr3 n ASN 401 Ca 0.10 -0.43 0.08 0.00 -0.02 0.00 0.00 54.58 54.31 2wr3 n ASN 401 Cb 0.52 -0.05 0.31 0.00 -2.36 0.00 0.00 39.78 38.21 2wr3 n ASN 401 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2wr3 n LEU 402 N -1.05 4.48 -0.39 -4.53 4.77 -1.26 -4.32 117.00 114.70 2wr3 n LEU 402 Ca 0.12 -2.97 0.07 0.00 -0.03 0.00 0.00 56.01 53.20 2wr3 n LEU 402 Cb 0.07 -0.59 0.14 0.00 -2.33 0.00 0.00 43.42 40.71 2wr3 n LEU 402 CO 0.10 0.66 0.43 -0.62 -1.33 0.00 0.00 177.39 176.63 2wr3 n GLU 403 N -0.12 1.18 -0.27 3.23 1.02 -0.01 -4.85 120.64 120.82 2wr3 n GLU 403 Ca 0.23 -2.64 0.05 0.00 -0.02 0.00 0.00 57.16 54.79 2wr3 n GLU 403 Cb 0.99 -1.34 0.19 0.00 -0.02 0.00 0.00 31.44 31.25 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 0.41 0.52 -0.25 3.49 2.47 -1.75 -0.03 114.38 119.24 2wr3 h ARG 404 Ca -0.02 -0.03 0.02 0.00 -1.26 0.00 0.00 59.98 58.70 2wr3 h ARG 404 Cb 1.10 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 29.28 2wr3 h ARG 404 CO 0.01 0.34 0.09 0.00 0.56 0.00 0.00 179.97 180.97 2wr3 h ARG 405 N 0.54 0.20 -0.38 0.04 3.08 -1.95 0.56 114.38 116.46 2wr3 h ARG 405 Ca 0.42 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 60.36 2wr3 h ARG 405 Cb 0.59 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 2wr3 h ARG 405 CO -0.36 0.13 -0.15 1.25 -1.07 0.00 0.00 179.97 179.77 2wr3 h LEU 406 N 0.21 0.69 -0.59 3.04 5.85 -1.70 0.67 115.31 123.48 2wr3 h LEU 406 Ca 0.11 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 2wr3 h LEU 406 Cb 0.07 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 2wr3 h LEU 406 CO -0.11 0.85 0.19 -0.08 -0.34 0.00 0.00 178.44 178.96 2wr3 h GLU 407 N 0.63 0.91 -0.15 1.25 4.81 -0.77 -2.21 114.58 119.05 2wr3 h GLU 407 Ca 0.10 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 2wr3 h GLU 407 Cb 0.61 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 2wr3 h GLU 407 CO 0.04 0.81 -0.25 -0.97 -0.73 0.00 0.00 179.01 177.91 2wr3 h ASN 408 N 0.83 0.26 -0.28 1.04 -0.73 -0.22 -0.47 115.58 116.00 2wr3 h ASN 408 Ca 0.19 -0.08 -0.01 0.00 1.87 0.00 0.00 56.30 58.28 2wr3 h ASN 408 Cb 0.27 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 38.78 2wr3 h ASN 408 CO -0.01 0.52 0.15 0.25 -0.37 0.00 0.00 177.43 177.96 2wr3 h LEU 409 N 0.24 0.36 -0.76 0.34 6.46 -0.67 -0.79 115.31 120.49 2wr3 h LEU 409 Ca 0.04 -0.10 -0.04 0.00 -0.12 0.00 0.00 57.88 57.66 2wr3 h LEU 409 Cb 0.57 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.38 2wr3 h LEU 409 CO 0.04 0.36 0.33 -1.13 -0.62 0.00 0.00 178.44 177.42 2wr3 h ASN 410 N 0.33 1.03 -0.55 1.25 -0.73 -0.81 -1.31 115.58 114.78 2wr3 h ASN 410 Ca 0.10 -0.16 -0.04 0.00 1.87 0.00 0.00 56.30 58.07 2wr3 h ASN 410 Cb 0.09 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.39 2wr3 h ASN 410 CO -0.01 0.90 0.19 0.50 -0.37 0.00 0.00 177.43 178.64 2wr3 h LYS 411 N 1.09 0.85 -0.95 6.67 3.64 -0.96 -0.91 116.57 126.00 2wr3 h LYS 411 Ca 0.26 -0.17 0.06 0.00 -1.27 0.00 0.00 60.65 59.53 2wr3 h LYS 411 Cb 0.18 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 31.81 2wr3 h LYS 411 CO -0.03 0.76 0.61 -0.22 -2.27 0.00 0.00 179.45 178.30 2wr3 h LYS 412 N 0.76 1.07 -0.05 1.90 1.63 -0.89 0.34 116.57 121.34 2wr3 h LYS 412 Ca 0.18 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.89 2wr3 h LYS 412 Cb 0.25 -0.24 -0.00 0.00 -0.60 0.00 0.00 32.23 31.64 2wr3 h LYS 412 CO -0.01 0.71 -0.06 1.98 -3.45 0.00 0.00 179.45 178.61 2wr3 h MET 413 N 1.10 0.13 -0.33 1.90 4.05 -0.83 -1.54 114.93 119.41 2wr3 h MET 413 Ca 0.40 -0.07 -0.05 0.00 -0.28 0.00 0.00 59.70 59.70 2wr3 h MET 413 Cb 0.17 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.96 2wr3 h MET 413 CO -0.15 0.62 -0.01 0.93 0.23 0.00 0.00 176.91 178.53 2wr3 h GLU 414 N -0.35 0.52 0.00 0.39 4.39 -0.85 -2.20 114.58 116.47 2wr3 h GLU 414 Ca 0.01 -0.11 -0.12 0.00 0.34 0.00 0.00 59.36 59.47 2wr3 h GLU 414 Cb 0.60 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 2wr3 h GLU 414 CO 0.02 0.55 -0.59 -0.44 -1.16 0.00 0.00 179.01 177.38 2wr3 h ASP 415 N 0.50 0.00 -0.24 1.42 3.32 -0.94 -1.87 116.42 118.62 2wr3 h ASP 415 Ca 0.11 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 2wr3 h ASP 415 Cb 0.33 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 2wr3 h ASP 415 CO 0.01 0.59 -0.20 1.23 -1.72 0.00 0.00 179.24 179.16 2wr3 h GLY 416 N 1.85 0.60 1.53 2.75 0.00 -0.67 -2.37 103.07 106.76 2wr3 h GLY 416 Ca -0.01 -0.59 -0.13 0.00 0.00 0.00 0.00 47.33 46.60 2wr3 h GLY 416 CO 0.08 0.54 -0.40 0.74 0.00 0.00 0.00 176.54 177.49 2wr3 h PHE 417 N 0.25 0.62 -0.84 5.60 -1.00 -1.43 -2.44 116.94 117.71 2wr3 h PHE 417 Ca 0.04 -0.18 0.00 0.00 2.81 0.00 0.00 57.97 60.65 2wr3 h PHE 417 Cb 0.74 -0.13 -0.04 0.00 3.61 0.00 0.00 35.95 40.13 2wr3 h PHE 417 CO 0.07 0.85 0.53 1.25 -1.61 0.00 0.00 178.31 179.40 2wr3 h LEU 418 N 0.43 0.98 -0.54 1.54 5.85 -1.29 -0.21 115.31 122.07 2wr3 h LEU 418 Ca 0.04 -0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.59 2wr3 h LEU 418 Cb 0.89 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 2wr3 h LEU 418 CO 0.08 0.73 -0.16 0.44 -0.34 0.00 0.00 178.44 179.19 2wr3 h ASP 419 N 1.14 1.03 0.25 1.25 3.32 -1.28 -1.80 116.42 120.32 2wr3 h ASP 419 Ca 0.30 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 2wr3 h ASP 419 Cb -0.10 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.18 2wr3 h ASP 419 CO -0.06 1.16 -0.12 0.58 -1.72 0.00 0.00 179.24 179.08 2wr3 h VAL 420 N 0.89 0.81 -0.42 -1.35 2.07 -1.01 -1.99 116.25 115.25 2wr3 h VAL 420 Ca 0.13 -0.48 -0.08 0.00 0.82 0.00 0.00 66.70 67.08 2wr3 h VAL 420 Cb 0.74 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 2wr3 h VAL 420 CO 0.06 0.10 -0.08 -0.50 0.02 0.00 0.00 177.57 177.17 2wr3 h TRP 421 N -0.59 0.80 0.39 1.57 4.06 -1.08 -0.50 115.95 120.61 2wr3 h TRP 421 Ca -0.03 -0.13 -0.02 0.00 2.06 0.00 0.00 58.89 60.77 2wr3 h TRP 421 Cb 0.43 -0.21 0.00 0.00 -1.00 0.00 0.00 29.16 28.38 2wr3 h TRP 421 CO 0.01 0.79 -0.19 1.15 -3.56 0.00 0.00 178.44 176.63 2wr3 h THR 422 N 0.68 0.61 -0.48 1.49 2.02 -1.33 -0.99 112.91 114.90 2wr3 h THR 422 Ca 0.12 -0.30 0.06 0.00 0.77 0.00 0.00 66.41 67.07 2wr3 h THR 422 Cb 0.53 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 67.64 2wr3 h THR 422 CO 0.03 0.06 0.18 0.22 0.37 0.00 0.00 175.52 176.37 2wr3 h TYR 423 N -0.70 0.31 -0.15 3.16 3.20 -1.18 0.04 116.97 121.65 2wr3 h TYR 423 Ca -0.05 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.72 2wr3 h TYR 423 Cb 0.50 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 2wr3 h TYR 423 CO -0.01 0.11 -0.42 -0.91 -1.64 0.00 0.00 178.16 175.29 2wr3 h ASN 424 N 0.35 0.36 -0.12 -2.11 2.35 -1.06 -0.91 115.58 114.45 2wr3 h ASN 424 Ca 0.23 -0.16 -0.09 0.00 -0.55 0.00 0.00 56.30 55.73 2wr3 h ASN 424 Cb 0.23 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.50 2wr3 h ASN 424 CO -0.23 0.74 -0.28 0.00 -1.65 0.00 0.00 177.43 176.02 2wr3 h ALA 425 N 1.27 0.20 0.09 -0.83 0.00 -0.71 -0.28 119.26 119.00 2wr3 h ALA 425 Ca 0.02 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2wr3 h ALA 425 Cb 0.86 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2wr3 h ALA 425 CO 0.07 0.21 -0.04 0.93 0.00 0.00 0.00 179.25 180.42 2wr3 h GLU 426 N -0.01 -0.11 -0.22 0.00 4.39 -0.91 -2.23 114.58 115.49 2wr3 h GLU 426 Ca -0.00 0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 2wr3 h GLU 426 Cb 0.88 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 2wr3 h GLU 426 CO 0.06 -0.03 -0.21 -0.07 -1.16 0.00 0.00 179.01 177.60 2wr3 h LEU 427 N -0.16 0.38 0.01 1.33 4.07 -1.20 -1.85 115.31 117.89 2wr3 h LEU 427 Ca -0.01 -0.11 -0.00 0.00 0.08 0.00 0.00 57.88 57.84 2wr3 h LEU 427 Cb 0.13 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.77 2wr3 h LEU 427 CO 0.02 0.60 -0.00 0.25 -1.08 0.00 0.00 178.44 178.23 2wr3 h LEU 428 N 0.35 -0.01 0.13 1.67 5.85 -0.93 -0.79 115.31 121.58 2wr3 h LEU 428 Ca 0.06 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.65 2wr3 h LEU 428 Cb 0.57 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 2wr3 h LEU 428 CO 0.04 0.14 -0.32 0.58 -0.34 0.00 0.00 178.44 178.54 2wr3 h VAL 429 N -0.16 0.33 -0.42 1.05 2.07 -1.29 -0.18 116.25 117.65 2wr3 h VAL 429 Ca -0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 2wr3 h VAL 429 Cb 0.15 0.33 -0.09 0.00 -1.52 0.00 0.00 31.29 30.16 2wr3 h VAL 429 CO 0.00 0.00 -0.20 -0.07 0.02 0.00 0.00 177.57 177.32 2wr3 h LEU 430 N -0.55 -0.68 -0.01 2.57 3.38 -1.25 -1.52 115.31 117.25 2wr3 h LEU 430 Ca 0.03 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 2wr3 h LEU 430 Cb 0.57 0.37 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 2wr3 h LEU 430 CO -0.18 -0.23 0.00 0.24 0.09 0.00 0.00 178.44 178.36 2wr3 h MET 431 N -0.12 0.02 0.00 1.13 2.86 -0.98 -2.65 114.93 115.19 2wr3 h MET 431 Ca 0.20 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 2wr3 h MET 431 Cb 0.43 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 2wr3 h MET 431 CO -0.50 0.29 0.00 0.39 1.06 0.00 0.00 176.91 178.16 2wr3 n GLU 432 N -4.94 0.15 0.08 1.72 -0.58 -0.09 -1.68 120.64 115.30 2wr3 n GLU 432 Ca -0.08 0.45 -0.22 0.00 -0.42 0.00 0.00 57.16 56.89 2wr3 n GLU 432 Cb 0.16 -1.83 -0.15 0.00 -0.57 0.00 0.00 31.44 29.04 2wr3 n GLU 432 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 2wr3 h ASN 433 N 0.00 0.61 -0.94 1.62 2.35 -1.09 -2.14 115.58 115.98 2wr3 h ASN 433 Ca 0.00 -0.92 0.13 0.00 -0.55 0.00 0.00 56.30 54.96 2wr3 h ASN 433 Cb 0.26 -0.20 -0.09 0.00 0.05 0.00 0.00 38.32 38.35 2wr3 h ASN 433 CO 0.00 1.62 0.57 -0.08 -1.65 0.00 0.00 177.43 177.89 2wr3 h GLU 434 N -0.10 0.85 0.00 0.81 4.81 -0.96 -2.11 114.58 117.88 2wr3 h GLU 434 Ca -0.25 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 58.80 2wr3 h GLU 434 Cb 1.93 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 31.10 2wr3 h GLU 434 CO 0.18 0.56 -0.60 0.00 -0.73 0.00 0.00 179.01 178.42 2wr3 h ARG 435 N 0.87 0.00 -0.26 1.92 3.08 -1.43 -2.54 114.38 116.02 2wr3 h ARG 435 Ca 0.48 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.41 2wr3 h ARG 435 Cb 0.54 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 2wr3 h ARG 435 CO -0.29 0.57 -0.34 1.15 -1.07 0.00 0.00 179.97 180.00 2wr3 h THR 436 N 0.00 1.31 -0.31 2.04 2.02 -0.87 -2.17 112.91 114.94 2wr3 h THR 436 Ca -0.01 -1.52 -0.10 0.00 0.77 0.00 0.00 66.41 65.55 2wr3 h THR 436 Cb 1.45 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 69.54 2wr3 h THR 436 CO 0.07 0.48 -0.20 -0.07 0.37 0.00 0.00 175.52 176.18 2wr3 h LEU 437 N 0.40 0.71 -1.70 2.58 3.38 -1.38 -1.88 115.31 117.43 2wr3 h LEU 437 Ca 0.03 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 2wr3 h LEU 437 Cb 0.92 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 2wr3 h LEU 437 CO 0.08 0.98 -0.17 0.44 0.09 0.00 0.00 178.44 179.87 2wr3 h ASP 438 N 0.44 0.00 0.36 -0.43 3.32 -1.52 -1.03 116.42 117.56 2wr3 h ASP 438 Ca 0.06 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 2wr3 h ASP 438 Cb 0.74 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.29 2wr3 h ASP 438 CO 0.05 0.17 -0.17 0.15 -1.72 0.00 0.00 179.24 177.72 2wr3 h PHE 439 N 0.00 -0.45 -0.72 4.55 3.57 -0.73 -0.87 116.94 122.29 2wr3 h PHE 439 Ca -0.00 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.57 2wr3 h PHE 439 Cb 0.30 0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.13 2wr3 h PHE 439 CO 0.00 -0.15 0.39 0.45 -2.23 0.00 0.00 178.31 176.77 2wr3 h HIS 440 N -0.73 0.71 -0.54 0.41 3.86 -1.12 0.50 115.15 118.23 2wr3 h HIS 440 Ca -0.05 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 2wr3 h HIS 440 Cb 0.50 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.74 2wr3 h HIS 440 CO 0.00 0.30 0.28 0.22 0.86 0.00 0.00 177.93 179.59 2wr3 h ASP 441 N 0.68 0.67 0.70 2.45 -0.00 -1.09 -1.81 116.42 118.02 2wr3 h ASP 441 Ca 0.34 -0.05 -0.26 0.00 -0.00 0.00 0.00 57.03 57.05 2wr3 h ASP 441 Cb 0.28 -0.17 -0.01 0.00 -0.00 0.00 0.00 39.33 39.43 2wr3 h ASP 441 CO -0.23 0.56 -1.28 0.77 -0.00 0.00 0.00 179.24 179.06 2wr3 h SER 442 N 0.76 0.24 -0.66 2.28 4.64 -0.46 -1.98 113.55 118.36 2wr3 h SER 442 Ca 0.19 -0.29 0.08 0.00 -0.47 0.00 0.00 61.79 61.30 2wr3 h SER 442 Cb 0.05 -0.08 -0.06 0.00 -0.31 0.00 0.00 62.40 62.00 2wr3 h SER 442 CO -0.03 1.23 0.34 0.78 -0.87 0.00 0.00 176.83 178.28 2wr3 h ASN 443 N 0.04 0.46 0.39 4.97 2.35 -0.59 -0.62 115.58 122.58 2wr3 h ASN 443 Ca -0.13 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 2wr3 h ASN 443 Cb 1.92 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 40.26 2wr3 h ASN 443 CO 0.16 0.28 -0.19 0.58 -1.65 0.00 0.00 177.43 176.61 2wr3 h VAL 444 N 0.60 0.47 -1.20 2.81 2.07 -1.31 -2.30 116.25 117.40 2wr3 h VAL 444 Ca 0.31 -0.60 0.34 0.00 0.82 0.00 0.00 66.70 67.58 2wr3 h VAL 444 Cb 0.28 0.70 -0.09 0.00 -1.52 0.00 0.00 31.29 30.66 2wr3 h VAL 444 CO -0.23 0.09 0.80 0.50 0.02 0.00 0.00 177.57 178.75 2wr3 h LYS 445 N -0.93 0.18 0.00 1.57 1.63 -1.29 0.83 116.57 118.55 2wr3 h LYS 445 Ca -0.05 -0.01 -0.18 0.00 -0.85 0.00 0.00 60.65 59.56 2wr3 h LYS 445 Cb 0.55 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.11 2wr3 h LYS 445 CO 0.09 0.12 -0.84 -0.91 -3.45 0.00 0.00 179.45 174.46 2wr3 h ASN 446 N 0.19 0.00 0.05 4.20 2.35 -0.98 -1.66 115.58 119.73 2wr3 h ASN 446 Ca 0.66 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.40 2wr3 h ASN 446 Cb 2.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.46 2wr3 h ASN 446 CO -0.22 0.84 -0.03 0.25 -1.65 0.00 0.00 177.43 176.62 2wr3 h LEU 447 N 0.00 -0.06 -0.54 1.61 5.85 -0.32 -1.55 115.31 120.30 2wr3 h LEU 447 Ca -0.01 -0.39 0.11 0.00 0.84 0.00 0.00 57.88 58.43 2wr3 h LEU 447 Cb 1.60 0.02 -0.10 0.00 0.37 0.00 0.00 40.66 42.54 2wr3 h LEU 447 CO 0.11 0.37 -0.14 0.22 -0.34 0.00 0.00 178.44 178.66 2wr3 h TYR 448 N -0.50 -0.30 0.00 1.25 3.20 -1.17 -0.46 116.97 118.99 2wr3 h TYR 448 Ca -0.01 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2wr3 h TYR 448 Cb 0.45 0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.93 2wr3 h TYR 448 CO 0.07 -0.24 0.00 -0.44 -1.64 0.00 0.00 178.16 175.91 2wr3 h ASP 449 N -0.01 0.00 1.19 -2.11 3.32 -1.21 -1.63 116.42 115.98 2wr3 h ASP 449 Ca 0.26 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.14 2wr3 h ASP 449 Cb 0.40 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 2wr3 h ASP 449 CO -0.56 0.00 -0.80 0.50 -1.72 0.00 0.00 179.24 176.66 2wr3 h LYS 450 N 0.00 0.00 0.06 3.56 3.64 -0.04 -0.87 116.57 122.91 2wr3 h LYS 450 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2wr3 h LYS 450 Cb 0.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2wr3 h LYS 450 CO 0.00 0.80 -0.03 0.28 -2.27 0.00 0.00 179.45 178.23 2wr3 h VAL 451 N 0.00 1.14 -0.86 2.00 2.07 -1.08 -3.23 116.25 116.29 2wr3 h VAL 451 Ca -0.01 -1.57 0.16 0.00 0.82 0.00 0.00 66.70 66.10 2wr3 h VAL 451 Cb 1.61 2.04 -0.10 0.00 -1.52 0.00 0.00 31.29 33.33 2wr3 h VAL 451 CO 0.10 0.34 0.44 -0.09 0.02 0.00 0.00 177.57 178.39 2wr3 h ARG 452 N -0.89 0.59 0.00 1.57 2.43 -1.33 0.84 114.38 117.59 2wr3 h ARG 452 Ca -0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2wr3 h ARG 452 Cb 0.62 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2wr3 h ARG 452 CO 0.01 0.39 0.00 -1.33 -1.51 0.00 0.00 179.97 177.53 2wr3 n MET 453 N -4.88 0.13 -0.12 0.20 2.81 -0.34 -2.54 117.12 112.38 2wr3 n MET 453 Ca 0.18 0.16 -0.24 0.00 -1.81 0.00 0.00 57.70 55.98 2wr3 n MET 453 Cb 0.46 -1.50 -0.10 0.00 -0.71 0.00 0.00 33.22 31.37 2wr3 n MET 453 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2wr3 n GLN 454 N -1.39 0.57 0.12 0.03 6.02 0.20 -4.80 117.38 118.12 2wr3 n GLN 454 Ca 0.06 0.41 -0.05 0.00 -0.01 0.00 0.00 57.00 57.41 2wr3 n GLN 454 Cb 0.17 -1.61 -0.02 0.00 1.02 0.00 0.00 30.24 29.80 2wr3 n GLN 454 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2wr3 h LEU 455 N -1.00 -0.29 0.00 1.08 3.38 -1.25 -3.45 115.31 113.79 2wr3 h LEU 455 Ca -0.48 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2wr3 h LEU 455 Cb 1.39 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.22 2wr3 h LEU 455 CO -0.29 -0.06 0.00 0.54 0.09 0.00 0.00 178.44 178.72 2wr3 n ARG 456 N -3.69 0.00 -0.07 1.13 1.74 -1.05 -2.52 116.66 112.19 2wr3 n ARG 456 Ca -0.04 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.09 2wr3 n ARG 456 Cb 0.13 0.00 0.40 0.00 -1.02 0.00 0.00 32.46 31.97 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 0.54 0.21 0.55 3.45 -1.92 -2.82 116.42 116.43 2wr3 h ASP 457 Ca 0.00 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.45 2wr3 h ASP 457 Cb 0.00 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 38.64 2wr3 h ASP 457 CO 0.00 0.37 0.00 0.59 -1.57 0.00 0.00 179.24 178.63 2wr3 n ASN 458 N -4.47 0.59 -4.07 6.45 4.13 -1.05 -4.73 115.26 112.11 2wr3 n ASN 458 Ca 0.06 0.73 -0.08 0.00 1.68 0.00 0.00 54.58 56.97 2wr3 n ASN 458 Cb 0.13 -0.83 -0.10 0.00 -1.54 0.00 0.00 39.78 37.44 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 -3.48 0.27 -0.17 2.41 -7.23 -1.07 -1.21 120.40 109.93 2wr3 s VAL 459 Ca -0.00 -1.55 -0.06 0.00 -1.81 0.00 0.00 61.98 58.55 2wr3 s VAL 459 Cb 0.07 -1.16 -0.04 0.00 0.56 0.00 0.00 36.38 35.81 2wr3 s VAL 459 CO 0.25 -0.82 0.04 -0.75 -0.31 0.00 0.00 175.10 173.51 2wr3 s LYS 460 N -3.13 3.81 -0.23 4.82 2.20 0.56 -4.74 119.74 123.03 2wr3 s LYS 460 Ca 0.01 -0.38 -0.28 0.00 -0.36 0.00 0.00 55.97 54.96 2wr3 s LYS 460 Cb 0.02 -3.11 0.01 0.00 -1.51 0.00 0.00 37.83 33.23 2wr3 s LYS 460 CO -0.06 0.33 1.00 -1.21 -0.36 0.00 0.00 175.35 175.05 2wr3 s GLU 461 N 0.19 4.25 0.00 4.03 2.02 -1.26 -0.65 118.70 127.28 2wr3 s GLU 461 Ca 0.03 1.29 0.00 0.00 0.02 0.00 0.00 54.97 56.31 2wr3 s GLU 461 Cb -0.13 -3.64 0.00 0.00 0.10 0.00 0.00 34.13 30.47 2wr3 s GLU 461 CO 0.01 -0.60 0.22 1.28 0.02 0.00 0.00 175.26 176.19 2wr3 n LEU 462 N 6.21 0.23 0.00 1.80 7.99 -0.91 -4.99 117.00 127.33 2wr3 n LEU 462 Ca 0.11 0.57 0.00 0.00 -0.01 0.00 0.00 56.01 56.67 2wr3 n LEU 462 Cb 0.46 -0.45 0.00 0.00 -0.11 0.00 0.00 43.42 43.32 2wr3 n LEU 462 CO 0.51 -0.45 0.00 0.61 -1.51 0.00 0.00 177.39 176.55 2wr3 n GLY 463 N 1.36 0.18 1.98 -0.72 0.00 -1.26 -4.99 105.19 101.73 2wr3 n GLY 463 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 4.29 0.00 1.61 6.94 -1.26 -4.68 115.26 122.17 2wr3 n ASN 464 Ca 0.00 -3.70 0.00 0.00 -0.02 0.00 0.00 54.58 50.86 2wr3 n ASN 464 Cb 0.00 -0.79 0.00 0.00 -2.36 0.00 0.00 39.78 36.63 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 -1.07 1.02 3.63 4.83 0.00 -1.26 -4.68 105.19 107.66 2wr3 n GLY 465 Ca 0.53 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.28 2.04 -0.20 0.00 0.40 -0.73 -2.14 117.98 116.07 2wr3 s PHE 467 Ca 0.24 -1.08 -0.17 0.00 -0.60 0.00 0.00 56.93 55.32 2wr3 s PHE 467 Cb -0.11 -1.50 -0.04 0.00 0.51 0.00 0.00 43.02 41.88 2wr3 s PHE 467 CO 0.16 -0.59 0.43 -2.00 0.70 0.00 0.00 175.22 173.92 2wr3 s GLU 468 N 1.34 4.19 0.06 0.44 2.12 0.18 -1.26 118.70 125.76 2wr3 s GLU 468 Ca 0.01 0.27 -0.27 0.00 0.36 0.00 0.00 54.97 55.33 2wr3 s GLU 468 Cb -0.13 -3.54 -0.05 0.00 0.26 0.00 0.00 34.13 30.67 2wr3 s GLU 468 CO -0.07 -0.06 0.87 -0.06 -0.54 0.00 0.00 175.26 175.40 2wr3 s PHE 469 N 1.35 3.74 -2.04 5.30 0.40 -1.26 -0.32 117.98 125.15 2wr3 s PHE 469 Ca 0.21 1.61 0.31 0.00 -0.60 0.00 0.00 56.93 58.46 2wr3 s PHE 469 Cb -0.15 -2.95 1.77 0.00 0.51 0.00 0.00 43.02 42.20 2wr3 s PHE 469 CO 0.08 0.19 2.16 0.66 0.70 0.00 0.00 175.22 179.01 2wr3 n TYR 470 N 3.03 0.00 -3.75 0.36 0.53 -0.35 -4.84 117.16 112.14 2wr3 n TYR 470 Ca 0.01 0.00 -0.13 0.00 -1.02 0.00 0.00 57.90 56.76 2wr3 n TYR 470 Cb 0.50 -0.01 -0.08 0.00 -1.03 0.00 0.00 39.34 38.72 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 -2.03 -0.17 -0.19 -0.72 -3.43 -1.26 -4.40 115.29 103.10 2wr3 s HIS 471 Ca 0.46 0.19 -0.40 0.00 -0.80 0.00 0.00 55.06 54.50 2wr3 s HIS 471 Cb 0.22 0.11 -0.17 0.00 -1.43 0.00 0.00 32.58 31.31 2wr3 s HIS 471 CO 0.37 -0.44 1.55 0.36 -2.00 0.00 0.00 174.74 174.57 2wr3 n LYS 472 N 1.00 0.84 -4.27 -0.38 0.00 -1.26 -4.97 118.16 109.12 2wr3 n LYS 472 Ca -0.20 0.31 -0.21 0.00 -0.00 0.00 0.00 58.31 58.21 2wr3 n LYS 472 Cb 0.57 -1.93 -0.12 0.00 -0.00 0.00 0.00 35.03 33.56 2wr3 n LYS 472 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wr3 n ASP 474 N 0.70 -0.02 -0.01 0.00 5.75 -1.26 -4.59 116.55 117.12 2wr3 n ASP 474 Ca -0.17 -2.72 0.08 0.00 -0.01 0.00 0.00 54.79 51.97 2wr3 n ASP 474 Cb 0.56 1.16 0.48 0.00 -1.03 0.00 0.00 41.12 42.29 2wr3 n ASP 474 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2wr3 h ASP 475 N 1.51 0.38 0.86 -1.12 5.19 -2.01 0.50 116.42 121.73 2wr3 h ASP 475 Ca -0.21 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.20 2wr3 h ASP 475 Cb 0.95 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.37 2wr3 h ASP 475 CO 0.31 0.26 0.00 -0.62 -3.12 0.00 0.00 179.24 176.07 2wr3 n GLU 476 N -4.48 0.02 -0.05 3.56 -0.58 -1.26 -2.14 120.64 115.72 2wr3 n GLU 476 Ca 0.05 0.10 -0.01 0.00 -0.42 0.00 0.00 57.16 56.88 2wr3 n GLU 476 Cb 0.19 -1.53 -0.00 0.00 -0.57 0.00 0.00 31.44 29.52 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 -0.87 -0.27 0.00 0.00 2.86 -1.46 0.39 114.93 115.59 2wr3 h MET 478 Ca 0.00 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2wr3 h MET 478 Cb 0.13 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.85 2wr3 h MET 478 CO 0.00 -0.18 0.01 -1.71 1.06 0.00 0.00 176.91 176.09 2wr3 n ASN 479 N -5.36 0.00 -0.05 1.22 5.15 -0.91 0.37 115.26 115.68 2wr3 n ASN 479 Ca -0.02 0.03 -0.06 0.00 -0.60 0.00 0.00 54.58 53.93 2wr3 n ASN 479 Cb 0.28 -0.03 -0.08 0.00 -0.53 0.00 0.00 39.78 39.42 2wr3 n ASN 479 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2wr3 n SER 480 N -0.90 2.47 0.15 1.20 3.41 0.13 -3.81 113.62 116.26 2wr3 n SER 480 Ca 0.00 -0.01 -0.12 0.00 -0.26 0.00 0.00 58.87 58.48 2wr3 n SER 480 Cb 0.01 0.67 -0.07 0.00 -0.26 0.00 0.00 64.21 64.56 2wr3 n SER 480 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2wr3 h VAL 481 N 0.00 0.55 -0.88 -3.33 2.07 0.92 0.60 116.25 116.18 2wr3 h VAL 481 Ca -0.29 -0.72 0.08 0.00 0.82 0.00 0.00 66.70 66.60 2wr3 h VAL 481 Cb 1.63 0.85 -0.11 0.00 -1.52 0.00 0.00 31.29 32.15 2wr3 h VAL 481 CO 0.01 0.11 -0.52 0.29 0.02 0.00 0.00 177.57 177.49 2wr3 n LYS 482 N -5.10 -0.39 0.00 1.57 5.02 0.46 0.89 118.16 120.61 2wr3 n LYS 482 Ca -0.09 1.40 0.01 0.00 -2.02 0.00 0.00 58.31 57.61 2wr3 n LYS 482 Cb 0.27 -2.06 0.06 0.00 -0.02 0.00 0.00 35.03 33.28 2wr3 n LYS 482 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2wr3 n ASN 483 N -5.01 0.00 -2.63 4.39 6.94 -1.21 -4.84 115.26 112.90 2wr3 n ASN 483 Ca 0.02 -1.38 -0.16 0.00 -0.02 0.00 0.00 54.58 53.03 2wr3 n ASN 483 Cb 0.23 0.00 0.06 0.00 -2.36 0.00 0.00 39.78 37.70 2wr3 n ASN 483 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wr3 n GLY 484 N 0.24 -0.08 2.32 4.83 0.00 0.26 -4.96 105.19 107.79 2wr3 n GLY 484 Ca 0.02 -0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.20 -0.38 -4.27 2.61 -2.24 0.20 -5.01 114.28 100.98 2wr3 n THR 485 Ca 0.00 -3.61 -0.34 0.00 -2.27 0.00 0.00 64.05 57.83 2wr3 n THR 485 Cb 0.54 -0.67 -0.15 0.00 -2.10 0.00 0.00 70.33 67.95 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 -1.16 2.87 -0.18 4.78 5.04 -1.23 -4.64 117.35 122.82 2wr3 s TYR 486 Ca 0.35 -0.98 -0.19 0.00 -2.44 0.00 0.00 57.07 53.81 2wr3 s TYR 486 Cb 0.24 -1.97 -0.03 0.00 0.35 0.00 0.00 41.96 40.55 2wr3 s TYR 486 CO -0.12 -0.48 0.54 0.16 -1.34 0.00 0.00 175.55 174.31 2wr3 s ASP 487 N 1.03 6.62 0.08 4.32 1.47 -1.26 -4.97 116.67 123.96 2wr3 s ASP 487 Ca -0.01 0.74 -0.18 0.00 1.18 0.00 0.00 52.55 54.29 2wr3 s ASP 487 Cb -0.15 -2.30 -0.09 0.00 -0.34 0.00 0.00 42.92 40.04 2wr3 s ASP 487 CO -0.02 -0.16 1.45 0.22 0.68 0.00 0.00 175.17 177.34 2wr3 h TYR 488 N 7.31 0.60 -0.62 2.11 3.20 -1.96 -3.24 116.97 124.37 2wr3 h TYR 488 Ca -0.35 -0.14 0.13 0.00 3.14 0.00 0.00 58.73 61.51 2wr3 h TYR 488 Cb 1.16 -0.14 -0.10 0.00 1.54 0.00 0.00 36.73 39.18 2wr3 h TYR 488 CO 0.69 0.77 0.02 -1.35 -1.64 0.00 0.00 178.16 176.65 2wr3 h PRO 489 N 0.25 0.13 0.00 1.82 0.11 -1.99 -2.70 132.00 129.62 2wr3 h PRO 489 Ca 0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.16 2wr3 h PRO 489 Cb 0.61 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.69 2wr3 h PRO 489 CO 0.03 0.09 0.08 1.17 -0.21 0.00 0.00 178.00 179.16 2wr3 n LYS 490 N -5.27 0.00 -3.15 1.05 4.81 -1.22 -3.22 118.16 111.16 2wr3 n LYS 490 Ca 0.09 0.38 -0.22 0.00 -0.87 0.00 0.00 58.31 57.69 2wr3 n LYS 490 Cb 0.36 -1.58 -0.05 0.00 0.02 0.00 0.00 35.03 33.78 2wr3 n LYS 490 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2wr3 n TYR 491 N -1.38 1.33 -1.06 5.64 4.01 -1.02 -4.90 117.16 119.79 2wr3 n TYR 491 Ca 0.00 -3.84 -0.19 0.00 -0.16 0.00 0.00 57.90 53.70 2wr3 n TYR 491 Cb 0.08 -0.44 0.00 0.00 -0.31 0.00 0.00 39.34 38.68 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 0.44 1.97 -2.62 -0.72 -0.58 -1.20 -4.83 120.64 113.10 2wr3 n GLU 492 Ca 0.26 -1.74 -0.42 0.00 -0.42 0.00 0.00 57.16 54.85 2wr3 n GLU 492 Cb 0.55 -1.77 -0.04 0.00 -0.57 0.00 0.00 31.44 29.61 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 -1.65 4.58 -0.54 3.49 2.02 -1.26 -5.01 118.70 120.32 2wr3 s GLU 493 Ca 0.40 1.56 0.07 0.00 0.02 0.00 0.00 54.97 57.02 2wr3 s GLU 493 Cb 0.28 -3.38 0.28 0.00 0.10 0.00 0.00 34.13 31.42 2wr3 s GLU 493 CO -0.07 0.01 0.74 0.39 0.02 0.00 0.00 175.26 176.35 2wr3 n GLU 494 N 3.28 2.11 0.00 1.61 1.02 -1.26 -4.87 120.64 122.53 2wr3 n GLU 494 Ca 0.05 -4.25 0.00 0.00 -0.02 0.00 0.00 57.16 52.94 2wr3 n GLU 494 Cb 0.49 -1.96 0.02 0.00 -0.02 0.00 0.00 31.44 29.97 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 0.67 0.00 -0.76 1.62 7.64 -1.26 -5.20 113.62 116.33 2wr3 n SER 495 Ca 0.28 -0.17 0.13 0.00 1.01 0.00 0.00 58.87 60.12 2wr3 n SER 495 Cb 0.46 0.00 0.27 0.00 -1.01 0.00 0.00 64.21 63.93 2wr3 n SER 495 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32