#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wr4 s ILE 7 N 0.00 -0.09 0.03 1.69 1.10 -0.74 -0.89 121.20 122.31 2wr4 s ILE 7 Ca 0.00 0.25 0.04 0.00 -0.51 0.00 0.00 60.65 60.43 2wr4 s ILE 7 Cb 0.00 -0.17 -0.04 0.00 0.15 0.00 0.00 42.46 42.40 2wr4 s ILE 7 CO 0.00 0.10 -0.06 0.00 -2.11 0.00 0.00 174.94 172.87 2wr4 s ILE 9 N -1.08 5.44 0.36 0.00 -1.09 -0.63 -1.04 121.20 123.16 2wr4 s ILE 9 Ca 0.19 0.30 -0.09 0.00 -2.23 0.00 0.00 60.65 58.82 2wr4 s ILE 9 Cb -0.11 -3.45 0.04 0.00 -1.58 0.00 0.00 42.46 37.36 2wr4 s ILE 9 CO 0.10 0.60 0.64 0.61 -1.23 0.00 0.00 174.94 175.66 2wr4 n GLY 10 N 2.08 1.45 3.19 6.18 0.00 0.67 -4.82 105.19 113.94 2wr4 n GLY 10 Ca -0.19 -1.37 -0.10 0.00 0.00 0.00 0.00 46.02 44.36 2wr4 n GLY 10 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wr4 s TYR 11 N -2.79 0.85 0.32 1.61 1.13 -1.26 -0.64 117.35 116.57 2wr4 s TYR 11 Ca 0.19 -1.20 -0.27 0.00 -1.41 0.00 0.00 57.07 54.39 2wr4 s TYR 11 Cb -0.03 -0.43 -0.09 0.00 -1.10 0.00 0.00 41.96 40.30 2wr4 s TYR 11 CO 0.14 -0.57 1.02 -1.58 -2.51 0.00 0.00 175.55 172.04 2wr4 s HIS 12 N -4.06 3.57 0.03 -3.49 5.65 0.29 -0.82 115.29 116.46 2wr4 s HIS 12 Ca 0.26 1.74 0.00 0.00 0.25 0.00 0.00 55.06 57.31 2wr4 s HIS 12 Cb 0.07 -3.09 -0.02 0.00 -1.18 0.00 0.00 32.58 28.36 2wr4 s HIS 12 CO 0.04 -0.21 -0.04 0.00 -0.65 0.00 0.00 174.74 173.88 2wr4 s ALA 13 N -1.45 0.25 0.00 1.58 0.00 -1.10 -4.58 121.76 116.46 2wr4 s ALA 13 Ca 0.50 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.78 2wr4 s ALA 13 Cb -0.24 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.02 2wr4 s ALA 13 CO 0.30 -0.15 0.00 0.27 0.00 0.00 0.00 175.76 176.19 2wr4 n ASN 14 N 1.44 0.00 -1.81 0.00 0.23 -1.26 -4.08 115.26 109.78 2wr4 n ASN 14 Ca -0.23 -0.69 -0.05 0.00 -0.53 0.00 0.00 54.58 53.08 2wr4 n ASN 14 Cb 0.55 0.00 0.26 0.00 -2.08 0.00 0.00 39.78 38.51 2wr4 n ASN 14 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2wr4 n ASN 15 N -1.84 4.38 -4.77 0.53 0.23 -1.26 -4.97 115.26 107.56 2wr4 n ASN 15 Ca 0.00 -3.01 -0.38 0.00 -0.53 0.00 0.00 54.58 50.67 2wr4 n ASN 15 Cb 0.00 -0.71 -0.01 0.00 -2.08 0.00 0.00 39.78 36.98 2wr4 n ASN 15 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2wr4 s SER 16 N -0.75 6.34 -0.10 0.53 0.15 -1.26 -4.93 113.70 113.68 2wr4 s SER 16 Ca 0.46 2.33 0.15 0.00 0.70 0.00 0.00 55.95 59.59 2wr4 s SER 16 Cb 0.37 -2.61 0.23 0.00 -1.71 0.00 0.00 66.02 62.30 2wr4 s SER 16 CO 0.11 -0.80 1.11 0.35 1.20 0.00 0.00 173.24 175.22 2wr4 n THR 17 N -0.22 1.66 -2.24 6.45 -2.24 -1.26 -4.85 114.28 111.58 2wr4 n THR 17 Ca 0.06 -1.96 -0.41 0.00 -2.27 0.00 0.00 64.05 59.47 2wr4 n THR 17 Cb 0.47 -0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.59 2wr4 n THR 17 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2wr4 s GLU 18 N -2.44 4.40 -0.05 -0.78 2.56 -1.26 -4.93 118.70 116.20 2wr4 s GLU 18 Ca 0.25 2.03 0.06 0.00 0.00 0.00 0.00 54.97 57.31 2wr4 s GLU 18 Cb 0.22 -3.20 -0.01 0.00 2.00 0.00 0.00 34.13 33.14 2wr4 s GLU 18 CO 0.02 -0.23 -0.24 0.15 -0.56 0.00 0.00 175.26 174.40 2wr4 s LYS 19 N -0.17 2.45 0.28 4.30 -0.14 -1.26 -0.77 119.74 124.43 2wr4 s LYS 19 Ca 0.56 -0.90 0.07 0.00 -1.36 0.00 0.00 55.97 54.34 2wr4 s LYS 19 Cb -0.36 -2.15 -0.06 0.00 -1.68 0.00 0.00 37.83 33.58 2wr4 s LYS 19 CO 0.38 0.44 -0.07 0.14 -0.76 0.00 0.00 175.35 175.48 2wr4 s VAL 20 N -0.30 1.72 0.14 3.17 -7.23 -0.70 -4.89 120.40 112.31 2wr4 s VAL 20 Ca 0.01 -2.14 0.08 0.00 -1.81 0.00 0.00 61.98 58.11 2wr4 s VAL 20 Cb -0.13 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 2wr4 s VAL 20 CO 0.02 -0.31 -0.09 -1.81 -0.31 0.00 0.00 175.10 172.60 2wr4 s ASP 21 N -3.45 4.39 0.37 4.85 1.01 -1.26 -1.26 116.67 121.33 2wr4 s ASP 21 Ca 0.29 -0.45 0.04 0.00 0.71 0.00 0.00 52.55 53.14 2wr4 s ASP 21 Cb 0.03 -0.82 -0.05 0.00 1.01 0.00 0.00 42.92 43.09 2wr4 s ASP 21 CO 0.12 0.14 0.06 0.42 0.21 0.00 0.00 175.17 176.12 2wr4 s THR 22 N -1.44 1.18 0.31 -1.27 -4.23 0.08 -4.46 115.64 105.80 2wr4 s THR 22 Ca 0.23 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.77 2wr4 s THR 22 Cb -0.10 -2.68 0.29 0.00 1.34 0.00 0.00 72.50 71.35 2wr4 s THR 22 CO 0.15 0.00 1.88 0.40 -0.54 0.00 0.00 174.62 176.51 2wr4 h ILE 23 N 1.93 0.98 0.00 2.99 1.08 -1.82 -3.19 117.51 119.48 2wr4 h ILE 23 Ca -0.40 -0.33 -0.08 0.00 -0.39 0.00 0.00 64.86 63.66 2wr4 h ILE 23 Cb 1.26 -0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 34.93 2wr4 h ILE 23 CO 0.69 0.18 -1.63 0.18 -0.69 0.00 0.00 178.15 176.87 2wr4 n LEU 24 N -4.54 0.43 -4.07 1.44 4.77 -1.26 -4.99 117.00 108.77 2wr4 n LEU 24 Ca 0.16 0.17 -0.12 0.00 -0.03 0.00 0.00 56.01 56.20 2wr4 n LEU 24 Cb 0.29 0.06 -0.11 0.00 -2.33 0.00 0.00 43.42 41.33 2wr4 n LEU 24 CO 0.31 0.03 -0.39 -1.61 -1.33 0.00 0.00 177.39 174.40 2wr4 s GLU 25 N -3.23 0.54 0.27 3.23 2.02 -1.21 -5.16 118.70 115.16 2wr4 s GLU 25 Ca -0.05 -0.85 0.08 0.00 0.02 0.00 0.00 54.97 54.18 2wr4 s GLU 25 Cb 0.11 -0.19 -0.04 0.00 0.10 0.00 0.00 34.13 34.11 2wr4 s GLU 25 CO 0.85 0.02 0.11 1.03 0.02 0.00 0.00 175.26 177.28 2wr4 s ARG 26 N -2.03 2.61 -0.96 1.61 1.81 -1.26 -0.74 118.95 120.00 2wr4 s ARG 26 Ca -0.07 -1.25 -0.27 0.00 -1.72 0.00 0.00 55.73 52.42 2wr4 s ARG 26 Cb -0.07 -2.36 0.04 0.00 -0.45 0.00 0.00 34.95 32.11 2wr4 s ARG 26 CO -0.01 0.35 0.50 0.09 -0.68 0.00 0.00 175.30 175.55 2wr4 n ASN 27 N -1.07 -2.99 -4.58 0.23 3.02 -1.23 -4.90 115.26 103.75 2wr4 n ASN 27 Ca -0.07 -1.02 -0.40 0.00 -0.03 0.00 0.00 54.58 53.06 2wr4 n ASN 27 Cb 0.59 -1.22 -0.08 0.00 -0.61 0.00 0.00 39.78 38.45 2wr4 n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wr4 s VAL 28 N -3.87 5.09 0.08 2.41 1.01 -0.39 -4.87 120.40 119.86 2wr4 s VAL 28 Ca 0.37 0.42 -0.31 0.00 0.00 0.00 0.00 61.98 62.47 2wr4 s VAL 28 Cb -0.21 -3.85 -0.07 0.00 0.00 0.00 0.00 36.38 32.25 2wr4 s VAL 28 CO 0.76 -0.05 1.42 -0.89 0.00 0.00 0.00 175.10 176.34 2wr4 s THR 29 N 2.23 3.37 0.19 3.92 2.01 -1.26 -1.71 115.64 124.39 2wr4 s THR 29 Ca 0.17 0.92 0.10 0.00 0.31 0.00 0.00 61.69 63.19 2wr4 s THR 29 Cb -0.16 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 2wr4 s THR 29 CO 0.11 0.04 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.19 2wr4 s VAL 30 N 1.61 2.09 0.08 3.82 1.01 0.05 -1.37 120.40 127.69 2wr4 s VAL 30 Ca 0.65 -2.03 -0.19 0.00 0.00 0.00 0.00 61.98 60.42 2wr4 s VAL 30 Cb -0.36 -2.01 -0.09 0.00 0.00 0.00 0.00 36.38 33.92 2wr4 s VAL 30 CO 0.29 -0.26 1.49 0.74 0.00 0.00 0.00 175.10 177.37 2wr4 h THR 31 N 3.09 1.27 -3.01 3.92 2.02 -1.11 -3.39 112.91 115.70 2wr4 h THR 31 Ca -0.43 -0.96 -0.13 0.00 0.77 0.00 0.00 66.41 65.66 2wr4 h THR 31 Cb 1.21 1.43 -0.22 0.00 -1.74 0.00 0.00 68.15 68.84 2wr4 h THR 31 CO 0.51 0.30 -0.31 -1.00 0.37 0.00 0.00 175.52 175.39 2wr4 s HIS 32 N -4.89 -0.25 0.27 3.16 3.76 -1.26 -4.83 115.29 111.26 2wr4 s HIS 32 Ca -0.14 0.52 -0.01 0.00 -0.15 0.00 0.00 55.06 55.28 2wr4 s HIS 32 Cb 0.07 0.10 -0.02 0.00 1.11 0.00 0.00 32.58 33.84 2wr4 s HIS 32 CO 0.75 -0.29 0.30 0.00 -0.85 0.00 0.00 174.74 174.64 2wr4 s ALA 33 N -0.68 1.07 -0.14 -1.40 0.00 -1.26 -0.08 121.76 119.27 2wr4 s ALA 33 Ca -0.08 -1.65 -0.06 0.00 0.00 0.00 0.00 51.96 50.18 2wr4 s ALA 33 Cb -0.04 1.32 0.06 0.00 0.00 0.00 0.00 23.12 24.46 2wr4 s ALA 33 CO 0.02 -0.69 0.31 0.21 0.00 0.00 0.00 175.76 175.62 2wr4 s LYS 34 N -3.70 0.24 -0.10 0.00 2.20 -0.49 -4.83 119.74 113.05 2wr4 s LYS 34 Ca 0.35 0.76 -0.28 0.00 -0.36 0.00 0.00 55.97 56.44 2wr4 s LYS 34 Cb 0.03 0.02 -0.02 0.00 -1.51 0.00 0.00 37.83 36.35 2wr4 s LYS 34 CO 0.18 -0.23 0.94 0.34 -0.36 0.00 0.00 175.35 176.22 2wr4 s ASP 35 N 1.99 7.17 -0.10 1.43 -1.08 -1.26 -1.00 116.67 123.83 2wr4 s ASP 35 Ca -0.04 1.44 0.19 0.00 -0.52 0.00 0.00 52.55 53.62 2wr4 s ASP 35 Cb -0.11 -2.52 0.70 0.00 -1.46 0.00 0.00 42.92 39.53 2wr4 s ASP 35 CO -0.10 -0.38 1.61 2.30 0.52 0.00 0.00 175.17 179.11 2wr4 n ILE 36 N 4.44 1.73 -3.82 4.11 -5.35 0.16 -4.86 119.36 115.77 2wr4 n ILE 36 Ca 0.07 -1.19 -0.36 0.00 -0.27 0.00 0.00 62.75 61.00 2wr4 n ILE 36 Cb 0.49 0.18 -0.13 0.00 -1.74 0.00 0.00 39.64 38.44 2wr4 n ILE 36 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2wr4 s LEU 37 N -1.74 3.19 -0.14 7.28 2.96 -1.26 -3.69 118.68 125.29 2wr4 s LEU 37 Ca 0.50 -0.29 -0.28 0.00 -0.22 0.00 0.00 54.13 53.84 2wr4 s LEU 37 Cb 0.32 -1.84 -0.01 0.00 0.50 0.00 0.00 46.19 45.15 2wr4 s LEU 37 CO 0.25 -0.03 0.93 -0.70 -1.32 0.00 0.00 176.35 175.48 2wr4 s GLU 38 N 1.55 4.36 0.00 1.98 2.56 0.32 -4.91 118.70 124.56 2wr4 s GLU 38 Ca 0.06 1.22 0.00 0.00 0.00 0.00 0.00 54.97 56.25 2wr4 s GLU 38 Cb -0.15 -3.56 0.00 0.00 2.00 0.00 0.00 34.13 32.42 2wr4 s GLU 38 CO 0.00 -0.33 0.56 0.36 -0.56 0.00 0.00 175.26 175.29 2wr4 n LYS 39 N 5.15 0.03 -4.33 4.30 2.85 -1.26 -2.56 118.16 122.33 2wr4 n LYS 39 Ca 0.07 -0.67 -0.35 0.00 -1.05 0.00 0.00 58.31 56.31 2wr4 n LYS 39 Cb 0.49 -0.93 -0.10 0.00 -0.65 0.00 0.00 35.03 33.84 2wr4 n LYS 39 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2wr4 s THR 40 N -0.22 4.36 0.45 0.58 -4.23 -1.26 -4.82 115.64 110.50 2wr4 s THR 40 Ca 0.00 -0.22 0.03 0.00 -1.18 0.00 0.00 61.69 60.32 2wr4 s THR 40 Cb 0.00 -2.85 -0.03 0.00 1.34 0.00 0.00 72.50 70.96 2wr4 s THR 40 CO 0.00 0.59 0.04 -1.38 -0.54 0.00 0.00 174.62 173.33 2wr4 s HIS 41 N -0.70 1.96 -2.51 3.99 -3.43 -1.26 -4.63 115.29 108.71 2wr4 s HIS 41 Ca 0.11 -1.00 0.23 0.00 -0.80 0.00 0.00 55.06 53.61 2wr4 s HIS 41 Cb -0.12 -1.48 0.41 0.00 -1.43 0.00 0.00 32.58 29.96 2wr4 s HIS 41 CO 0.02 0.10 1.39 0.27 -2.00 0.00 0.00 174.74 174.52 2wr4 n ASN 42 N -1.17 3.45 0.00 7.38 0.23 -0.32 -4.89 115.26 119.93 2wr4 n ASN 42 Ca -0.12 -2.00 0.00 0.00 -0.53 0.00 0.00 54.58 51.94 2wr4 n ASN 42 Cb 0.66 -0.23 0.00 0.00 -2.08 0.00 0.00 39.78 38.13 2wr4 n ASN 42 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wr4 n GLY 43 N 1.49 0.39 3.81 4.83 0.00 -1.26 -4.83 105.19 109.62 2wr4 n GLY 43 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 2wr4 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wr4 s LYS 44 N -0.64 3.03 -0.23 1.61 1.02 -1.26 -4.72 119.74 118.55 2wr4 s LYS 44 Ca 0.00 -0.60 -0.23 0.00 0.02 0.00 0.00 55.97 55.16 2wr4 s LYS 44 Cb 0.00 -2.82 -0.01 0.00 -0.52 0.00 0.00 37.83 34.48 2wr4 s LYS 44 CO 0.00 0.59 0.75 -1.17 -0.92 0.00 0.00 175.35 174.60 2wr4 s LEU 45 N -2.28 4.10 0.37 3.17 2.96 -1.26 -2.14 118.68 123.60 2wr4 s LEU 45 Ca 0.29 0.94 0.09 0.00 -0.22 0.00 0.00 54.13 55.23 2wr4 s LEU 45 Cb -0.12 -3.06 -0.07 0.00 0.50 0.00 0.00 46.19 43.44 2wr4 s LEU 45 CO 0.22 -0.42 -0.06 0.00 -1.32 0.00 0.00 176.35 174.77 2wr4 s ARG 47 N -3.65 3.93 -0.38 0.00 1.70 -0.90 -4.71 118.95 114.94 2wr4 s ARG 47 Ca 0.33 0.52 -0.10 0.00 -0.47 0.00 0.00 55.73 56.01 2wr4 s ARG 47 Cb 0.05 -2.52 0.04 0.00 -0.57 0.00 0.00 34.95 31.95 2wr4 s ARG 47 CO 0.17 0.22 0.21 -1.17 -1.08 0.00 0.00 175.30 173.65 2wr4 s LEU 48 N -2.90 4.76 -1.47 -1.89 2.96 -0.10 -1.96 118.68 118.08 2wr4 s LEU 48 Ca 0.51 -1.12 -0.08 0.00 -0.22 0.00 0.00 54.13 53.23 2wr4 s LEU 48 Cb -0.11 -2.00 0.06 0.00 0.50 0.00 0.00 46.19 44.64 2wr4 s LEU 48 CO 0.19 -0.41 0.77 -1.20 -1.32 0.00 0.00 176.35 174.37 2wr4 n SER 49 N 4.96 -2.72 0.00 3.68 7.64 -1.08 -2.26 113.62 123.85 2wr4 n SER 49 Ca -0.12 -0.87 0.00 0.00 1.01 0.00 0.00 58.87 58.90 2wr4 n SER 49 Cb 0.45 -3.60 0.00 0.00 -1.01 0.00 0.00 64.21 60.05 2wr4 n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wr4 n GLY 50 N -1.68 1.63 3.43 0.23 0.00 -1.26 -5.02 105.19 102.51 2wr4 n GLY 50 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 2wr4 n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wr4 s ILE 51 N -2.38 3.46 0.70 -0.61 1.01 -0.96 -5.07 121.20 117.35 2wr4 s ILE 51 Ca 0.00 -0.51 -0.11 0.00 0.00 0.00 0.00 60.65 60.03 2wr4 s ILE 51 Cb 0.00 -2.49 0.01 0.00 0.01 0.00 0.00 42.46 39.99 2wr4 s ILE 51 CO 0.00 0.51 1.08 -2.16 0.00 0.00 0.00 174.94 174.37 2wr4 s PRO 52 N 0.40 2.88 0.53 2.79 0.05 -1.26 -0.93 135.00 139.47 2wr4 s PRO 52 Ca -0.07 0.56 -0.17 0.00 0.05 0.00 0.00 61.00 61.37 2wr4 s PRO 52 Cb -0.15 -2.02 -0.07 0.00 0.05 0.00 0.00 34.50 32.32 2wr4 s PRO 52 CO 0.04 -1.04 1.01 -1.25 0.05 0.00 0.00 177.00 175.81 2wr4 s PRO 53 N -5.29 3.72 -0.19 0.56 0.05 -1.26 -1.37 135.00 131.23 2wr4 s PRO 53 Ca 0.58 1.10 -0.28 0.00 0.05 0.00 0.00 61.00 62.45 2wr4 s PRO 53 Cb -0.12 -2.10 -0.00 0.00 0.05 0.00 0.00 34.50 32.34 2wr4 s PRO 53 CO 0.53 -0.47 0.99 -1.17 0.05 0.00 0.00 177.00 176.93 2wr4 s LEU 54 N -4.09 4.15 -0.27 -3.56 2.96 0.40 -4.88 118.68 113.39 2wr4 s LEU 54 Ca 0.62 1.37 -0.10 0.00 -0.22 0.00 0.00 54.13 55.80 2wr4 s LEU 54 Cb -0.13 -3.48 -0.04 0.00 0.50 0.00 0.00 46.19 43.04 2wr4 s LEU 54 CO 0.31 -0.56 0.14 -1.61 -1.32 0.00 0.00 176.35 173.31 2wr4 s GLU 55 N 2.68 3.84 0.00 1.98 2.02 -1.26 -1.11 118.70 126.85 2wr4 s GLU 55 Ca 0.44 -0.38 0.23 0.00 0.02 0.00 0.00 54.97 55.28 2wr4 s GLU 55 Cb -0.16 -3.53 0.55 0.00 0.10 0.00 0.00 34.13 31.09 2wr4 s GLU 55 CO 0.10 -0.17 1.48 1.28 0.02 0.00 0.00 175.26 177.97 2wr4 n LEU 56 N 4.98 3.76 0.00 1.80 4.77 -0.94 -4.91 117.00 126.46 2wr4 n LEU 56 Ca -0.15 -1.77 0.00 0.00 -0.03 0.00 0.00 56.01 54.06 2wr4 n LEU 56 Cb 0.52 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2wr4 n LEU 56 CO 0.32 0.88 0.00 0.61 -1.33 0.00 0.00 177.39 177.87 2wr4 n GLY 57 N 1.60 4.23 2.61 -0.72 0.00 -1.26 -0.30 105.19 111.35 2wr4 n GLY 57 Ca 0.22 0.16 -0.25 0.00 0.00 0.00 0.00 46.02 46.15 2wr4 n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wr4 n ASP 58 N 8.34 4.12 -4.69 1.61 5.75 -1.26 -4.27 116.55 126.16 2wr4 n ASP 58 Ca 0.00 -3.57 -0.30 0.00 -0.01 0.00 0.00 54.79 50.91 2wr4 n ASP 58 Cb 0.00 -0.50 -0.08 0.00 -1.03 0.00 0.00 41.12 39.51 2wr4 n ASP 58 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wr4 s SER 60 N -2.37 6.03 0.32 0.00 1.04 -0.14 -4.77 113.70 113.80 2wr4 s SER 60 Ca 0.26 1.05 0.04 0.00 0.48 0.00 0.00 55.95 57.77 2wr4 s SER 60 Cb -0.11 -2.17 0.64 0.00 0.10 0.00 0.00 66.02 64.48 2wr4 s SER 60 CO 0.18 -0.85 1.88 0.40 0.98 0.00 0.00 173.24 175.84 2wr4 h ILE 61 N -0.11 0.96 -0.25 -1.02 2.04 -1.96 -0.68 117.51 116.48 2wr4 h ILE 61 Ca -0.46 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.07 2wr4 h ILE 61 Cb 1.22 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 2wr4 h ILE 61 CO 0.62 0.16 0.04 0.00 0.00 0.00 0.00 178.15 178.98 2wr4 h ALA 62 N 1.55 0.33 -0.76 1.87 0.00 -1.93 -0.50 119.26 119.82 2wr4 h ALA 62 Ca 0.43 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.28 2wr4 h ALA 62 Cb 0.43 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 2wr4 h ALA 62 CO -0.19 0.01 0.36 0.78 0.00 0.00 0.00 179.25 180.21 2wr4 h GLY 63 N 0.22 1.17 0.75 0.00 0.00 -1.53 -0.35 103.07 103.32 2wr4 h GLY 63 Ca 0.08 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 2wr4 h GLY 63 CO 0.00 -0.01 -0.27 -0.25 0.00 0.00 0.00 176.54 176.01 2wr4 h TRP 64 N 0.56 -0.71 -0.56 5.60 7.01 -0.85 0.68 115.95 127.68 2wr4 h TRP 64 Ca 0.40 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.36 2wr4 h TRP 64 Cb 0.52 0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 27.79 2wr4 h TRP 64 CO -0.12 -0.38 0.27 -0.07 -2.79 0.00 0.00 178.44 175.35 2wr4 h LEU 65 N -1.03 0.71 -0.26 0.65 3.38 -0.86 -2.26 115.31 115.64 2wr4 h LEU 65 Ca -0.08 -0.07 -0.21 0.00 0.09 0.00 0.00 57.88 57.62 2wr4 h LEU 65 Cb 0.65 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2wr4 h LEU 65 CO 0.13 0.61 -0.87 -0.07 0.09 0.00 0.00 178.44 178.33 2wr4 h LEU 66 N 0.79 0.45 -0.24 1.67 3.38 -1.14 -3.45 115.31 116.77 2wr4 h LEU 66 Ca 0.20 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2wr4 h LEU 66 Cb 0.09 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2wr4 h LEU 66 CO -0.03 1.13 0.00 0.61 0.09 0.00 0.00 178.44 180.24 2wr4 n GLY 67 N 0.82 0.87 3.61 0.83 0.00 -0.75 -1.48 105.19 109.09 2wr4 n GLY 67 Ca -0.05 -0.12 -0.50 0.00 0.00 0.00 0.00 46.02 45.35 2wr4 n GLY 67 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wr4 n ASN 68 N 0.17 2.01 0.28 1.61 2.85 0.16 -0.10 115.26 122.23 2wr4 n ASN 68 Ca 0.00 1.12 0.18 0.00 -0.11 0.00 0.00 54.58 55.77 2wr4 n ASN 68 Cb 0.10 -1.27 0.96 0.00 1.24 0.00 0.00 39.78 40.81 2wr4 n ASN 68 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2wr4 h PRO 69 N 4.66 0.00 0.00 1.20 0.11 -1.90 -0.51 132.00 135.56 2wr4 h PRO 69 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2wr4 h PRO 69 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2wr4 h PRO 69 CO 0.79 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.97 2wr4 n GLU 70 N -3.39 0.21 -0.72 1.05 -0.58 -1.26 -2.81 120.64 113.15 2wr4 n GLU 70 Ca -0.01 0.05 0.08 0.00 -0.42 0.00 0.00 57.16 56.86 2wr4 n GLU 70 Cb 0.24 -1.50 0.37 0.00 -0.57 0.00 0.00 31.44 29.98 2wr4 n GLU 70 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wr4 h ASP 72 N 3.80 0.96 -1.73 0.00 3.45 -1.66 -3.20 116.42 118.06 2wr4 h ASP 72 Ca 0.00 -0.18 -0.69 0.00 0.43 0.00 0.00 57.03 56.59 2wr4 h ASP 72 Cb 1.68 -0.25 -0.24 0.00 -0.56 0.00 0.00 39.33 39.95 2wr4 h ASP 72 CO 0.34 0.91 0.88 0.54 -1.57 0.00 0.00 179.24 180.34 2wr4 n ARG 73 N -4.26 2.69 -0.04 3.56 1.74 -1.26 -4.76 116.66 114.33 2wr4 n ARG 73 Ca 0.05 -3.19 -0.18 0.00 -0.77 0.00 0.00 57.85 53.76 2wr4 n ARG 73 Cb 0.23 -2.24 -0.14 0.00 -1.02 0.00 0.00 32.46 29.30 2wr4 n ARG 73 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2wr4 n LEU 74 N -0.11 2.25 -1.46 0.55 7.94 -1.21 -5.07 117.00 119.88 2wr4 n LEU 74 Ca 0.52 0.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.57 2wr4 n LEU 74 Cb 0.32 -0.75 0.00 0.00 0.53 0.00 0.00 43.42 43.53 2wr4 n LEU 74 CO 0.46 0.78 0.00 -0.11 -1.11 0.00 0.00 177.39 177.40 2wr4 n LEU 75 N -3.31 -1.95 -4.41 -1.96 7.94 -1.26 -4.93 117.00 107.12 2wr4 n LEU 75 Ca -0.33 0.00 -0.44 0.00 -1.11 0.00 0.00 56.01 54.13 2wr4 n LEU 75 Cb 1.04 -0.98 -0.05 0.00 0.53 0.00 0.00 43.42 43.96 2wr4 n LEU 75 CO 0.39 0.00 0.40 -0.55 -1.11 0.00 0.00 177.39 176.53 2wr4 s SER 76 N -0.67 6.20 0.82 1.96 0.15 -1.26 -4.78 113.70 116.11 2wr4 s SER 76 Ca 0.00 -1.16 -0.11 0.00 0.70 0.00 0.00 55.95 55.38 2wr4 s SER 76 Cb 0.00 -2.31 0.09 0.00 -1.71 0.00 0.00 66.02 62.09 2wr4 s SER 76 CO 0.00 -1.04 1.12 0.68 1.20 0.00 0.00 173.24 175.20 2wr4 s VAL 77 N 2.76 2.79 -2.73 4.45 -7.23 -1.26 -4.96 120.40 114.22 2wr4 s VAL 77 Ca 0.14 0.27 0.26 0.00 -1.81 0.00 0.00 61.98 60.83 2wr4 s VAL 77 Cb -0.21 -2.58 0.37 0.00 0.56 0.00 0.00 36.38 34.52 2wr4 s VAL 77 CO 0.09 -0.32 1.49 -2.65 -0.31 0.00 0.00 175.10 173.40 2wr4 n PRO 78 N -3.71 2.02 0.00 4.82 -0.02 -1.26 -4.83 135.00 132.02 2wr4 n PRO 78 Ca 0.10 -1.49 0.00 0.00 -2.02 0.00 0.00 63.50 60.10 2wr4 n PRO 78 Cb 0.52 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 2wr4 n PRO 78 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2wr4 n GLU 79 N 0.80 0.00 -1.65 -0.52 2.13 -1.26 -0.93 120.64 119.21 2wr4 n GLU 79 Ca 0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.98 2wr4 n GLU 79 Cb 0.48 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.19 2wr4 n GLU 79 CO 0.00 0.00 0.00 -2.67 -0.41 0.00 0.00 177.13 174.05 2wr4 n TRP 80 N -1.71 -3.58 0.27 4.31 2.14 -1.23 -3.44 117.44 114.20 2wr4 n TRP 80 Ca 0.00 1.89 0.05 0.00 2.07 0.00 0.00 57.50 61.50 2wr4 n TRP 80 Cb 0.00 -2.89 -0.06 0.00 -0.81 0.00 0.00 31.31 27.55 2wr4 n TRP 80 CO 0.00 0.00 0.00 -1.13 2.07 0.00 0.00 177.69 178.63 2wr4 n SER 81 N -0.38 1.35 -3.14 -0.67 3.41 -0.47 -2.32 113.62 111.40 2wr4 n SER 81 Ca 0.00 -0.44 -0.07 0.00 -0.26 0.00 0.00 58.87 58.10 2wr4 n SER 81 Cb 0.00 1.18 0.02 0.00 -0.26 0.00 0.00 64.21 65.14 2wr4 n SER 81 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2wr4 s TYR 82 N -2.20 0.08 -0.02 7.33 -0.85 -1.25 -4.66 117.35 115.78 2wr4 s TYR 82 Ca 0.01 -0.64 0.07 0.00 -0.52 0.00 0.00 57.07 55.98 2wr4 s TYR 82 Cb 0.07 0.78 -0.02 0.00 0.38 0.00 0.00 41.96 43.17 2wr4 s TYR 82 CO 0.40 -1.31 -0.22 0.42 -1.52 0.00 0.00 175.55 173.32 2wr4 s ILE 83 N -2.36 1.72 -0.23 -3.49 1.01 -1.00 -0.46 121.20 116.39 2wr4 s ILE 83 Ca 0.17 -0.93 -0.05 0.00 0.00 0.00 0.00 60.65 59.85 2wr4 s ILE 83 Cb -0.04 -1.43 -0.02 0.00 0.01 0.00 0.00 42.46 40.98 2wr4 s ILE 83 CO 0.09 0.49 0.00 -0.69 0.00 0.00 0.00 174.94 174.83 2wr4 s VAL 84 N -0.47 3.81 -0.00 2.92 1.01 -0.27 0.27 120.40 127.67 2wr4 s VAL 84 Ca 0.07 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.73 2wr4 s VAL 84 Cb -0.09 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 2wr4 s VAL 84 CO -0.00 0.40 -0.07 -0.70 0.00 0.00 0.00 175.10 174.72 2wr4 s GLU 85 N 1.43 0.55 0.72 2.72 2.12 -1.02 -2.21 118.70 123.00 2wr4 s GLU 85 Ca 0.05 -0.25 -0.13 0.00 0.36 0.00 0.00 54.97 55.00 2wr4 s GLU 85 Cb -0.15 -0.53 0.03 0.00 0.26 0.00 0.00 34.13 33.74 2wr4 s GLU 85 CO 0.00 0.15 1.11 0.15 -0.54 0.00 0.00 175.26 176.13 2wr4 s LYS 86 N -0.18 2.46 0.16 4.30 1.02 -1.26 -2.66 119.74 123.57 2wr4 s LYS 86 Ca 0.02 1.35 -0.21 0.00 0.02 0.00 0.00 55.97 57.15 2wr4 s LYS 86 Cb -0.03 -1.91 0.05 0.00 -0.52 0.00 0.00 37.83 35.42 2wr4 s LYS 86 CO -0.00 -1.51 1.63 1.49 -0.92 0.00 0.00 175.35 176.04 2wr4 h GLU 87 N -0.51 -0.19 -3.25 1.68 4.57 -1.90 -3.33 114.58 111.65 2wr4 h GLU 87 Ca -0.45 0.01 -0.62 0.00 -1.18 0.00 0.00 59.36 57.12 2wr4 h GLU 87 Cb 1.25 0.04 -0.40 0.00 -0.16 0.00 0.00 28.75 29.48 2wr4 h GLU 87 CO 0.52 -0.13 -0.70 1.21 -1.18 0.00 0.00 179.01 178.73 2wr4 s ASN 88 N -5.07 3.96 0.61 1.04 2.47 -1.26 -5.12 114.94 111.57 2wr4 s ASN 88 Ca -0.15 -2.65 -0.18 0.00 0.42 0.00 0.00 52.86 50.30 2wr4 s ASN 88 Cb 0.13 -1.25 -0.03 0.00 -1.45 0.00 0.00 41.25 38.65 2wr4 s ASN 88 CO 0.69 -0.27 1.24 -2.84 -3.72 0.00 0.00 177.10 172.19 2wr4 s PRO 89 N 0.27 2.81 0.07 0.43 0.02 -1.25 -4.95 135.00 132.40 2wr4 s PRO 89 Ca 0.16 1.91 0.22 0.00 0.02 0.00 0.00 61.00 63.32 2wr4 s PRO 89 Cb -0.24 -1.90 -0.12 0.00 0.02 0.00 0.00 34.50 32.26 2wr4 s PRO 89 CO -0.02 -1.35 0.83 -2.37 -0.33 0.00 0.00 177.00 173.75 2wr4 n THR 90 N -1.72 0.25 -3.96 0.99 5.66 -0.92 -4.73 114.28 109.85 2wr4 n THR 90 Ca 0.14 -0.43 -0.32 0.00 -3.05 0.00 0.00 64.05 60.39 2wr4 n THR 90 Cb 0.49 -0.03 -0.14 0.00 -1.55 0.00 0.00 70.33 69.10 2wr4 n THR 90 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 2wr4 s ASN 91 N -4.59 4.86 0.00 1.09 0.01 -0.90 -5.00 114.94 110.41 2wr4 s ASN 91 Ca -0.02 -2.19 0.00 0.00 -0.71 0.00 0.00 52.86 49.94 2wr4 s ASN 91 Cb 0.13 -1.68 0.00 0.00 0.41 0.00 0.00 41.25 40.11 2wr4 s ASN 91 CO 0.84 -0.41 0.00 0.61 -1.51 0.00 0.00 177.10 176.63 2wr4 n GLY 92 N 4.25 2.73 3.57 0.66 0.00 -1.26 -0.97 105.19 114.17 2wr4 n GLY 92 Ca 0.03 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 2wr4 n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wr4 s LEU 93 N 0.00 3.45 0.22 0.99 1.43 -1.26 -4.11 118.68 119.40 2wr4 s LEU 93 Ca 0.00 -1.59 -0.08 0.00 -1.03 0.00 0.00 54.13 51.43 2wr4 s LEU 93 Cb 0.00 -2.57 0.22 0.00 0.03 0.00 0.00 46.19 43.87 2wr4 s LEU 93 CO 0.00 -1.94 1.88 0.00 0.23 0.00 0.00 176.35 176.52 2wr4 s TYR 95 N -6.11 3.40 0.65 0.00 5.04 -1.26 -4.65 117.35 114.42 2wr4 s TYR 95 Ca -0.13 1.30 -0.17 0.00 -2.44 0.00 0.00 57.07 55.63 2wr4 s TYR 95 Cb 0.16 -3.08 -0.00 0.00 0.35 0.00 0.00 41.96 39.39 2wr4 s TYR 95 CO 0.79 -0.30 1.22 -2.14 -1.34 0.00 0.00 175.55 173.77 2wr4 s PRO 96 N 2.42 2.59 0.00 4.97 0.02 -1.25 -4.75 135.00 139.00 2wr4 s PRO 96 Ca 0.40 1.83 0.00 0.00 0.02 0.00 0.00 61.00 63.24 2wr4 s PRO 96 Cb -0.16 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.48 2wr4 s PRO 96 CO 0.11 -1.50 0.00 0.41 -0.33 0.00 0.00 177.00 175.69 2wr4 n GLY 97 N 0.49 -0.50 3.26 0.52 0.00 -1.26 -1.22 105.19 106.48 2wr4 n GLY 97 Ca 0.14 -1.02 -0.16 0.00 0.00 0.00 0.00 46.02 44.98 2wr4 n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wr4 s SER 98 N -4.00 0.90 -0.17 1.61 1.04 -0.97 -4.93 113.70 107.18 2wr4 s SER 98 Ca 0.00 -1.50 -0.03 0.00 0.48 0.00 0.00 55.95 54.91 2wr4 s SER 98 Cb 0.00 0.39 0.05 0.00 0.10 0.00 0.00 66.02 66.56 2wr4 s SER 98 CO 0.00 -0.88 0.03 0.12 0.98 0.00 0.00 173.24 173.49 2wr4 s PHE 99 N -3.84 0.91 0.31 5.02 5.36 -1.26 -2.06 117.98 122.42 2wr4 s PHE 99 Ca 0.38 -0.68 -0.30 0.00 -0.96 0.00 0.00 56.93 55.38 2wr4 s PHE 99 Cb 0.06 -0.96 -0.11 0.00 -0.34 0.00 0.00 43.02 41.66 2wr4 s PHE 99 CO 0.16 -0.55 1.56 -0.80 -1.46 0.00 0.00 175.22 174.14 2wr4 s ASN 100 N 1.90 6.39 -1.47 6.13 0.01 0.24 -2.64 114.94 125.50 2wr4 s ASN 100 Ca 0.01 2.95 -0.06 0.00 -0.71 0.00 0.00 52.86 55.05 2wr4 s ASN 100 Cb -0.16 -2.64 0.05 0.00 0.41 0.00 0.00 41.25 38.90 2wr4 s ASN 100 CO -0.07 -0.89 0.63 0.47 -1.51 0.00 0.00 177.10 175.72 2wr4 n ASP 101 N 1.83 -1.75 -0.12 -1.22 8.00 -1.26 -4.72 116.55 117.31 2wr4 n ASP 101 Ca 0.07 -0.94 -0.08 0.00 0.71 0.00 0.00 54.79 54.54 2wr4 n ASP 101 Cb 0.38 -3.29 -0.00 0.00 -0.02 0.00 0.00 41.12 38.18 2wr4 n ASP 101 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2wr4 h TYR 102 N -1.82 0.48 -0.32 1.24 3.20 -1.91 -2.41 116.97 115.42 2wr4 h TYR 102 Ca -0.61 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.16 2wr4 h TYR 102 Cb 1.37 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.47 2wr4 h TYR 102 CO 0.53 0.30 -0.23 0.93 -1.64 0.00 0.00 178.16 178.05 2wr4 h GLU 103 N 0.51 0.63 -0.47 1.82 3.07 -1.89 -0.85 114.58 117.40 2wr4 h GLU 103 Ca 0.14 -0.24 -0.06 0.00 -0.50 0.00 0.00 59.36 58.70 2wr4 h GLU 103 Cb -0.06 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.80 2wr4 h GLU 103 CO -0.03 0.81 0.05 0.93 -1.40 0.00 0.00 179.01 179.37 2wr4 h GLU 104 N 0.55 0.74 -0.04 2.33 4.39 -1.91 -1.09 114.58 119.56 2wr4 h GLU 104 Ca 0.08 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 2wr4 h GLU 104 Cb 0.70 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2wr4 h GLU 104 CO 0.05 0.72 0.00 1.25 -1.16 0.00 0.00 179.01 179.87 2wr4 h LEU 105 N 0.71 0.06 -0.96 1.33 5.85 -0.75 -1.92 115.31 119.62 2wr4 h LEU 105 Ca 0.15 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.61 2wr4 h LEU 105 Cb 0.36 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 2wr4 h LEU 105 CO 0.01 0.35 0.63 0.11 -0.34 0.00 0.00 178.44 179.19 2wr4 h LYS 106 N -0.22 1.16 -0.37 1.25 1.57 -1.11 -1.57 116.57 117.28 2wr4 h LYS 106 Ca 0.01 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 2wr4 h LYS 106 Cb 0.31 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2wr4 h LYS 106 CO 0.00 0.77 -0.03 1.25 -0.57 0.00 0.00 179.45 180.87 2wr4 h HIS 107 N 1.20 0.63 -0.09 -1.35 2.76 -1.06 -2.50 115.15 114.74 2wr4 h HIS 107 Ca 0.39 -0.08 -0.00 0.00 -2.20 0.00 0.00 60.37 58.48 2wr4 h HIS 107 Cb 0.03 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 28.81 2wr4 h HIS 107 CO -0.01 0.63 0.05 1.25 -1.30 0.00 0.00 177.93 178.55 2wr4 h LEU 108 N 0.56 0.11 -0.03 0.26 6.46 -0.49 -3.04 115.31 119.14 2wr4 h LEU 108 Ca 0.11 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 2wr4 h LEU 108 Cb 0.41 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.31 2wr4 h LEU 108 CO 0.02 0.13 0.00 0.18 -0.62 0.00 0.00 178.44 178.15 2wr4 n LEU 109 N -5.00 0.04 -0.29 2.25 4.77 -0.75 -4.25 117.00 113.77 2wr4 n LEU 109 Ca -0.05 -0.02 -0.02 0.00 -0.03 0.00 0.00 56.01 55.88 2wr4 n LEU 109 Cb 0.05 -0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.24 2wr4 n LEU 109 CO 0.34 0.01 1.20 0.00 -1.33 0.00 0.00 177.39 177.60 2wr4 h THR 110 N 0.05 1.13 -3.43 -5.08 1.03 -1.33 -3.43 112.91 101.85 2wr4 h THR 110 Ca 0.00 -0.35 -0.12 0.00 -0.01 0.00 0.00 66.41 65.93 2wr4 h THR 110 Cb 0.01 0.03 -0.19 0.00 -1.07 0.00 0.00 68.15 66.93 2wr4 h THR 110 CO 0.00 0.19 -0.41 -0.94 -0.01 0.00 0.00 175.52 174.35 2wr4 s SER 111 N -5.85 -0.01 0.08 0.00 1.04 -1.26 -3.76 113.70 103.93 2wr4 s SER 111 Ca -0.13 -0.22 -0.14 0.00 0.48 0.00 0.00 55.95 55.94 2wr4 s SER 111 Cb 0.16 0.26 0.02 0.00 0.10 0.00 0.00 66.02 66.57 2wr4 s SER 111 CO 0.79 -0.46 0.33 -0.69 0.98 0.00 0.00 173.24 174.18 2wr4 s VAL 112 N -1.87 0.09 0.01 5.02 1.01 -0.98 -4.78 120.40 118.90 2wr4 s VAL 112 Ca -0.11 -0.70 -0.14 0.00 0.00 0.00 0.00 61.98 61.03 2wr4 s VAL 112 Cb -0.04 -1.09 -0.08 0.00 0.00 0.00 0.00 36.38 35.17 2wr4 s VAL 112 CO -0.00 -0.39 0.96 0.71 0.00 0.00 0.00 175.10 176.38 2wr4 h THR 113 N 2.82 0.00 -2.66 3.92 1.35 -0.30 -3.39 112.91 114.64 2wr4 h THR 113 Ca -0.33 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 2wr4 h THR 113 Cb 1.22 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 2wr4 h THR 113 CO 0.48 0.00 0.00 1.57 -0.25 0.00 0.00 175.52 177.32 2wr4 n HIS 114 N -3.64 0.00 -3.57 4.73 -0.00 -0.11 -4.59 115.22 108.04 2wr4 n HIS 114 Ca -0.06 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.60 2wr4 n HIS 114 Cb 0.19 -1.33 -0.07 0.00 -0.00 0.00 0.00 29.99 28.78 2wr4 n HIS 114 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.34 176.46 2wr4 s PHE 115 N 0.00 -1.02 -0.04 1.57 2.19 -0.43 -1.69 117.98 118.56 2wr4 s PHE 115 Ca 0.00 1.68 -0.02 0.00 0.33 0.00 0.00 56.93 58.92 2wr4 s PHE 115 Cb 0.00 0.43 0.03 0.00 -1.31 0.00 0.00 43.02 42.17 2wr4 s PHE 115 CO 0.00 -0.60 0.07 -2.00 1.83 0.00 0.00 175.22 174.52 2wr4 s GLU 116 N 2.70 -0.06 0.17 10.12 2.12 -0.44 -4.58 118.70 128.73 2wr4 s GLU 116 Ca 0.01 0.38 -0.30 0.00 0.36 0.00 0.00 54.97 55.42 2wr4 s GLU 116 Cb -0.13 -0.44 -0.08 0.00 0.26 0.00 0.00 34.13 33.74 2wr4 s GLU 116 CO -0.16 -0.30 1.16 0.21 -0.54 0.00 0.00 175.26 175.63 2wr4 s LYS 117 N 2.04 4.52 -0.01 4.30 2.20 -1.26 -0.49 119.74 131.04 2wr4 s LYS 117 Ca 0.03 1.81 0.02 0.00 -0.36 0.00 0.00 55.97 57.47 2wr4 s LYS 117 Cb -0.12 -3.27 -0.00 0.00 -1.51 0.00 0.00 37.83 32.93 2wr4 s LYS 117 CO -0.03 -0.05 -0.06 0.42 -0.36 0.00 0.00 175.35 175.26 2wr4 s ILE 118 N 0.02 0.52 -0.24 5.43 1.01 -0.57 -4.94 121.20 122.44 2wr4 s ILE 118 Ca 0.52 -0.27 -0.27 0.00 0.00 0.00 0.00 60.65 60.64 2wr4 s ILE 118 Cb -0.31 -0.45 0.00 0.00 0.01 0.00 0.00 42.46 41.71 2wr4 s ILE 118 CO 0.35 0.16 0.96 -0.75 0.00 0.00 0.00 174.94 175.65 2wr4 s LYS 119 N -0.05 4.22 -0.01 2.79 2.20 -1.26 -0.87 119.74 126.76 2wr4 s LYS 119 Ca 0.01 1.18 0.02 0.00 -0.36 0.00 0.00 55.97 56.81 2wr4 s LYS 119 Cb -0.04 -3.65 -0.03 0.00 -1.51 0.00 0.00 37.83 32.61 2wr4 s LYS 119 CO -0.00 -0.60 0.02 0.44 -0.36 0.00 0.00 175.35 174.85 2wr4 n ILE 120 N 5.33 0.07 -3.35 5.43 -5.35 -0.64 -4.85 119.36 116.00 2wr4 n ILE 120 Ca 0.09 -0.06 -0.26 0.00 -0.27 0.00 0.00 62.75 62.25 2wr4 n ILE 120 Cb 0.47 -0.36 -0.09 0.00 -1.74 0.00 0.00 39.64 37.92 2wr4 n ILE 120 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2wr4 n LEU 121 N -1.86 0.33 -4.56 7.28 4.77 -0.94 -4.89 117.00 117.13 2wr4 n LEU 121 Ca -0.02 -4.64 -0.53 0.00 -0.03 0.00 0.00 56.01 50.80 2wr4 n LEU 121 Cb 0.35 0.40 -0.06 0.00 -2.33 0.00 0.00 43.42 41.78 2wr4 n LEU 121 CO 0.04 1.95 0.76 -2.65 -1.33 0.00 0.00 177.39 176.16 2wr4 n PRO 122 N 2.06 0.85 -0.16 3.23 -0.02 -1.26 -4.49 135.00 135.21 2wr4 n PRO 122 Ca 0.26 0.31 -0.01 0.00 -2.02 0.00 0.00 63.50 62.03 2wr4 n PRO 122 Cb 0.49 -1.86 0.22 0.00 -0.02 0.00 0.00 33.50 32.32 2wr4 n PRO 122 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 2wr4 h ARG 123 N 3.83 0.88 0.00 -0.52 0.11 -1.94 -2.88 114.38 113.87 2wr4 h ARG 123 Ca -0.47 -0.13 0.00 0.00 0.10 0.00 0.00 59.98 59.49 2wr4 h ARG 123 Cb 1.36 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 32.28 2wr4 h ARG 123 CO 0.73 0.70 0.00 -0.40 0.10 0.00 0.00 179.97 181.10 2wr4 n ASP 124 N -4.34 0.40 -0.55 0.08 3.85 -1.26 -1.71 116.55 113.02 2wr4 n ASP 124 Ca 0.05 0.68 0.13 0.00 -0.71 0.00 0.00 54.79 54.94 2wr4 n ASP 124 Cb 0.15 -0.73 0.45 0.00 -1.35 0.00 0.00 41.12 39.64 2wr4 n ASP 124 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2wr4 n GLN 125 N -2.03 1.76 -1.41 0.11 6.02 -1.09 -4.21 117.38 116.53 2wr4 n GLN 125 Ca -0.01 -1.10 -0.39 0.00 -0.01 0.00 0.00 57.00 55.49 2wr4 n GLN 125 Cb 0.04 -1.46 -0.02 0.00 1.02 0.00 0.00 30.24 29.82 2wr4 n GLN 125 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 2wr4 n TRP 126 N 0.34 2.72 -0.28 1.08 7.02 -0.70 -4.74 117.44 122.87 2wr4 n TRP 126 Ca 0.18 -2.74 0.05 0.00 -1.02 0.00 0.00 57.50 53.97 2wr4 n TRP 126 Cb 0.38 -2.32 0.26 0.00 -2.42 0.00 0.00 31.31 27.21 2wr4 n TRP 126 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2wr4 h THR 127 N 3.70 1.04 -0.15 -0.99 1.03 -1.86 -2.37 112.91 113.32 2wr4 h THR 127 Ca 0.63 -0.33 0.00 0.00 -0.01 0.00 0.00 66.41 66.70 2wr4 h THR 127 Cb 0.48 -0.01 0.00 0.00 -1.07 0.00 0.00 68.15 67.55 2wr4 h THR 127 CO 1.82 0.18 0.00 0.00 -0.01 0.00 0.00 175.52 177.51 2wr4 n GLN 128 N -4.50 1.93 -4.44 0.00 6.02 -1.26 -4.93 117.38 110.20 2wr4 n GLN 128 Ca 0.14 -1.38 -0.21 0.00 -0.01 0.00 0.00 57.00 55.54 2wr4 n GLN 128 Cb 0.22 -1.45 -0.11 0.00 1.02 0.00 0.00 30.24 29.93 2wr4 n GLN 128 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2wr4 s HIS 129 N -1.82 1.94 0.20 1.08 3.76 -0.89 -4.57 115.29 114.99 2wr4 s HIS 129 Ca 0.34 -0.87 -0.06 0.00 -0.15 0.00 0.00 55.06 54.32 2wr4 s HIS 129 Cb 0.20 -1.22 -0.06 0.00 1.11 0.00 0.00 32.58 32.61 2wr4 s HIS 129 CO 0.30 0.10 0.47 0.99 -0.85 0.00 0.00 174.74 175.74 2wr4 s THR 130 N -3.21 5.07 0.00 1.30 2.01 -0.26 -4.92 115.64 115.63 2wr4 s THR 130 Ca 0.34 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.49 2wr4 s THR 130 Cb 0.07 -3.65 0.00 0.00 0.01 0.00 0.00 72.50 68.93 2wr4 s THR 130 CO 0.14 -0.08 0.00 0.41 -0.69 0.00 0.00 174.62 174.40 2wr4 n THR 131 N -0.22 0.00 0.29 -0.82 -1.04 -1.26 -2.59 114.28 108.64 2wr4 n THR 131 Ca -0.01 -0.17 0.11 0.00 -2.04 0.00 0.00 64.05 61.94 2wr4 n THR 131 Cb 0.52 0.66 0.26 0.00 -1.82 0.00 0.00 70.33 69.96 2wr4 n THR 131 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2wr4 n THR 132 N -0.93 0.59 -1.58 12.58 -2.24 -1.26 -4.86 114.28 116.58 2wr4 n THR 132 Ca 0.00 -0.74 -0.47 0.00 -2.27 0.00 0.00 64.05 60.57 2wr4 n THR 132 Cb 0.00 0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 68.92 2wr4 n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr4 n GLY 133 N 1.48 -0.11 0.00 3.38 0.00 -1.26 -4.95 105.19 103.73 2wr4 n GLY 133 Ca 0.20 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.66 2wr4 n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wr4 n GLY 134 N 1.70 3.19 3.49 -0.02 0.00 -1.26 -4.84 105.19 107.45 2wr4 n GLY 134 Ca 0.13 -1.37 -0.15 0.00 0.00 0.00 0.00 46.02 44.63 2wr4 n GLY 134 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wr4 s SER 135 N -0.90 -0.59 0.61 1.61 0.15 0.95 -4.87 113.70 110.66 2wr4 s SER 135 Ca 0.00 0.89 0.39 0.00 0.70 0.00 0.00 55.95 57.93 2wr4 s SER 135 Cb 0.00 0.86 1.96 0.00 -1.71 0.00 0.00 66.02 67.13 2wr4 s SER 135 CO 0.00 -0.40 2.21 -0.09 1.20 0.00 0.00 173.24 176.16 2wr4 h ARG 136 N 4.15 0.00 0.00 5.44 9.65 -1.90 -1.84 114.38 129.88 2wr4 h ARG 136 Ca -0.28 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.56 2wr4 h ARG 136 Cb 1.16 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.73 2wr4 h ARG 136 CO 0.26 0.01 -0.20 0.00 2.80 0.00 0.00 179.97 182.83 2wr4 h ALA 137 N 1.99 1.13 -1.18 2.80 0.00 -1.88 -2.76 119.26 119.35 2wr4 h ALA 137 Ca -0.00 -0.19 -0.63 0.00 0.00 0.00 0.00 54.91 54.10 2wr4 h ALA 137 Cb 0.22 -0.03 -0.38 0.00 0.00 0.00 0.00 17.79 17.59 2wr4 h ALA 137 CO 0.00 0.25 -0.23 0.00 0.00 0.00 0.00 179.25 179.27 2wr4 s ALA 139 N -3.69 3.22 -0.53 0.00 0.00 -1.04 -2.72 121.76 116.99 2wr4 s ALA 139 Ca 0.51 0.72 -0.02 0.00 0.00 0.00 0.00 51.96 53.17 2wr4 s ALA 139 Cb 0.42 -3.27 0.14 0.00 0.00 0.00 0.00 23.12 20.41 2wr4 s ALA 139 CO -0.16 -0.10 0.33 0.14 0.00 0.00 0.00 175.76 175.97 2wr4 s VAL 140 N -1.47 3.43 0.00 0.00 -7.23 -0.80 -4.90 120.40 109.43 2wr4 s VAL 140 Ca 0.51 -2.66 0.00 0.00 -1.81 0.00 0.00 61.98 58.02 2wr4 s VAL 140 Cb -0.25 -3.29 0.00 0.00 0.56 0.00 0.00 36.38 33.40 2wr4 s VAL 140 CO 0.31 -0.80 0.00 -1.54 -0.31 0.00 0.00 175.10 172.76 2wr4 n SER 141 N 3.86 0.00 -1.61 4.85 3.41 -1.26 -2.76 113.62 120.11 2wr4 n SER 141 Ca 0.04 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.69 2wr4 n SER 141 Cb 0.39 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.36 2wr4 n SER 141 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wr4 n GLY 142 N 0.00 1.14 3.94 5.00 0.00 -1.26 -5.14 105.19 108.87 2wr4 n GLY 142 Ca 0.00 -0.88 -0.25 0.00 0.00 0.00 0.00 46.02 44.89 2wr4 n GLY 142 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wr4 s ASN 143 N -2.19 6.35 0.16 1.61 -0.87 -1.11 -5.00 114.94 113.89 2wr4 s ASN 143 Ca 0.33 0.36 -0.32 0.00 -1.57 0.00 0.00 52.86 51.67 2wr4 s ASN 143 Cb 0.38 -1.99 -0.11 0.00 -0.02 0.00 0.00 41.25 39.52 2wr4 s ASN 143 CO -0.16 -0.11 1.68 -2.84 -2.57 0.00 0.00 177.10 173.10 2wr4 s PRO 144 N -3.66 4.17 0.00 -0.60 0.02 -1.26 -1.91 135.00 131.75 2wr4 s PRO 144 Ca 0.38 2.49 0.00 0.00 0.02 0.00 0.00 61.00 63.89 2wr4 s PRO 144 Cb -0.10 -3.24 0.00 0.00 0.02 0.00 0.00 34.50 31.18 2wr4 s PRO 144 CO 0.31 -0.71 0.00 0.45 -0.33 0.00 0.00 177.00 176.71 2wr4 n SER 145 N 4.42 0.96 -3.58 2.53 2.88 -0.86 -4.52 113.62 115.46 2wr4 n SER 145 Ca 0.15 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.61 2wr4 n SER 145 Cb 0.37 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.82 2wr4 n SER 145 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2wr4 s PHE 146 N 0.01 -0.33 -0.28 0.66 5.36 -1.24 -0.04 117.98 122.12 2wr4 s PHE 146 Ca 0.00 0.10 -0.41 0.00 -0.96 0.00 0.00 56.93 55.66 2wr4 s PHE 146 Cb 0.00 0.59 -0.17 0.00 -0.34 0.00 0.00 43.02 43.10 2wr4 s PHE 146 CO 0.00 -0.76 1.64 1.19 -1.46 0.00 0.00 175.22 175.83 2wr4 n PHE 147 N -0.35 1.87 0.27 10.12 3.01 -1.26 -4.59 117.46 126.52 2wr4 n PHE 147 Ca -0.10 0.71 0.16 0.00 1.01 0.00 0.00 57.45 59.23 2wr4 n PHE 147 Cb 0.62 -2.38 0.64 0.00 -0.01 0.00 0.00 39.48 38.36 2wr4 n PHE 147 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wr4 h ARG 148 N 6.23 0.00 -0.02 -1.08 3.08 -0.55 -2.54 114.38 119.51 2wr4 h ARG 148 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 2wr4 h ARG 148 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.39 2wr4 h ARG 148 CO 0.93 0.04 -0.21 0.09 -1.07 0.00 0.00 179.97 179.76 2wr4 n ASN 149 N -3.16 1.95 -4.58 7.04 3.02 -0.55 -4.94 115.26 114.04 2wr4 n ASN 149 Ca 0.00 -1.50 -0.25 0.00 -0.03 0.00 0.00 54.58 52.81 2wr4 n ASN 149 Cb 0.33 0.18 -0.09 0.00 -0.61 0.00 0.00 39.78 39.58 2wr4 n ASN 149 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2wr4 s MET 150 N -2.26 1.95 0.00 3.52 -1.94 -0.96 -0.73 119.30 118.88 2wr4 s MET 150 Ca 0.26 -1.80 0.00 0.00 -1.71 0.00 0.00 55.69 52.44 2wr4 s MET 150 Cb 0.19 -1.84 0.00 0.00 2.01 0.00 0.00 34.83 35.19 2wr4 s MET 150 CO 0.44 0.18 0.00 0.28 -0.01 0.00 0.00 175.02 175.91 2wr4 n VAL 151 N -0.85 0.00 -3.53 -6.03 0.31 0.76 -4.82 118.33 104.17 2wr4 n VAL 151 Ca -0.05 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.28 2wr4 n VAL 151 Cb 0.62 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.51 2wr4 n VAL 151 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2wr4 s LEU 153 N 0.00 -0.86 0.39 7.52 1.43 -1.22 -1.06 118.68 124.88 2wr4 s LEU 153 Ca 0.00 1.19 0.04 0.00 -1.03 0.00 0.00 54.13 54.32 2wr4 s LEU 153 Cb 0.00 1.99 -0.03 0.00 0.03 0.00 0.00 46.19 48.18 2wr4 s LEU 153 CO 0.00 -0.17 0.10 0.42 0.23 0.00 0.00 176.35 176.94 2wr4 s THR 154 N 2.60 0.77 0.62 5.49 -4.23 -1.07 -4.60 115.64 115.23 2wr4 s THR 154 Ca -0.05 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.28 2wr4 s THR 154 Cb -0.09 -2.45 -0.02 0.00 1.34 0.00 0.00 72.50 71.28 2wr4 s THR 154 CO -0.18 0.00 1.25 -1.59 -0.54 0.00 0.00 174.62 173.55 2wr4 s LYS 155 N -3.77 2.75 -0.51 3.99 -2.85 -0.10 -1.11 119.74 118.14 2wr4 s LYS 155 Ca 0.26 1.93 -0.04 0.00 -1.00 0.00 0.00 55.97 57.12 2wr4 s LYS 155 Cb 0.04 -1.89 0.13 0.00 -2.06 0.00 0.00 37.83 34.06 2wr4 s LYS 155 CO 0.14 -1.41 0.33 0.21 0.10 0.00 0.00 175.35 174.72 2wr4 s LYS 156 N -3.38 2.34 1.87 1.78 2.20 0.63 -4.35 119.74 120.82 2wr4 s LYS 156 Ca 0.80 -2.07 0.00 0.00 -0.36 0.00 0.00 55.97 54.34 2wr4 s LYS 156 Cb -0.34 -3.73 0.00 0.00 -1.51 0.00 0.00 37.83 32.25 2wr4 s LYS 156 CO 0.37 -1.14 0.00 0.41 -0.36 0.00 0.00 175.35 174.63 2wr4 n GLY 157 N 4.27 1.58 0.78 5.54 0.00 -1.26 -2.97 105.19 113.13 2wr4 n GLY 157 Ca 0.01 -0.34 0.01 0.00 0.00 0.00 0.00 46.02 45.69 2wr4 n GLY 157 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wr4 n SER 158 N 4.44 0.26 -4.25 1.61 3.41 -1.26 -5.10 113.62 112.73 2wr4 n SER 158 Ca 0.00 -1.96 -0.27 0.00 -0.26 0.00 0.00 58.87 56.38 2wr4 n SER 158 Cb 0.00 -0.21 -0.15 0.00 -0.26 0.00 0.00 64.21 63.59 2wr4 n SER 158 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2wr4 s ASN 159 N -1.24 2.54 -0.40 4.04 0.02 -1.16 -4.90 114.94 113.85 2wr4 s ASN 159 Ca 0.09 -0.46 0.01 0.00 -1.02 0.00 0.00 52.86 51.48 2wr4 s ASN 159 Cb 0.11 -0.25 0.14 0.00 0.02 0.00 0.00 41.25 41.27 2wr4 s ASN 159 CO -0.05 0.22 0.24 -0.47 0.02 0.00 0.00 177.10 177.06 2wr4 s TYR 160 N -0.65 1.26 1.39 2.20 5.04 -1.26 -0.27 117.35 125.05 2wr4 s TYR 160 Ca 0.08 -2.01 -0.21 0.00 -2.44 0.00 0.00 57.07 52.49 2wr4 s TYR 160 Cb -0.09 -1.29 0.35 0.00 0.35 0.00 0.00 41.96 41.28 2wr4 s TYR 160 CO 0.01 -0.81 0.83 -2.30 -1.34 0.00 0.00 175.55 171.94 2wr4 n PRO 161 N 3.71 -4.22 -2.33 4.97 -0.02 -1.26 -4.84 135.00 131.00 2wr4 n PRO 161 Ca 0.13 -1.25 -0.43 0.00 -2.02 0.00 0.00 63.50 59.93 2wr4 n PRO 161 Cb 0.37 -1.92 -0.02 0.00 -0.02 0.00 0.00 33.50 31.91 2wr4 n PRO 161 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wr4 s VAL 162 N -2.16 4.06 -0.11 -1.45 1.01 -1.26 -4.77 120.40 115.72 2wr4 s VAL 162 Ca 0.64 1.23 -0.30 0.00 0.00 0.00 0.00 61.98 63.55 2wr4 s VAL 162 Cb -0.14 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 2wr4 s VAL 162 CO 0.56 -0.31 1.16 0.00 0.00 0.00 0.00 175.10 176.51 2wr4 s ALA 163 N 4.27 3.54 -0.27 5.51 0.00 -0.05 -4.92 121.76 129.84 2wr4 s ALA 163 Ca 0.60 0.48 -0.01 0.00 0.00 0.00 0.00 51.96 53.03 2wr4 s ALA 163 Cb -0.21 -3.53 0.13 0.00 0.00 0.00 0.00 23.12 19.51 2wr4 s ALA 163 CO 0.22 -0.86 0.30 0.21 0.00 0.00 0.00 175.76 175.63 2wr4 s LYS 164 N 2.59 0.31 0.22 0.00 2.20 -1.26 -0.81 119.74 122.99 2wr4 s LYS 164 Ca 0.53 0.03 0.06 0.00 -0.36 0.00 0.00 55.97 56.23 2wr4 s LYS 164 Cb -0.22 -0.72 -0.05 0.00 -1.51 0.00 0.00 37.83 35.34 2wr4 s LYS 164 CO 0.18 -0.91 -0.08 1.03 -0.36 0.00 0.00 175.35 175.21 2wr4 s ARG 165 N 2.39 1.34 0.08 4.03 0.52 -1.14 -5.01 118.95 121.16 2wr4 s ARG 165 Ca 0.09 -1.64 -0.07 0.00 -0.52 0.00 0.00 55.73 53.60 2wr4 s ARG 165 Cb -0.14 -0.90 -0.01 0.00 0.52 0.00 0.00 34.95 34.41 2wr4 s ARG 165 CO -0.26 0.05 0.13 -1.54 0.02 0.00 0.00 175.30 173.69 2wr4 s SER 166 N -3.32 0.22 -0.01 0.23 1.04 -1.26 -0.70 113.70 109.90 2wr4 s SER 166 Ca 0.25 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.92 2wr4 s SER 166 Cb 0.03 0.30 0.02 0.00 0.10 0.00 0.00 66.02 66.47 2wr4 s SER 166 CO 0.07 -0.70 0.02 -0.47 0.98 0.00 0.00 173.24 173.14 2wr4 s TYR 167 N -3.88 0.05 -0.23 5.02 5.04 -0.68 -4.99 117.35 117.68 2wr4 s TYR 167 Ca 0.06 0.07 -0.13 0.00 -2.44 0.00 0.00 57.07 54.63 2wr4 s TYR 167 Cb 0.06 -0.17 -0.05 0.00 0.35 0.00 0.00 41.96 42.15 2wr4 s TYR 167 CO -0.11 -0.06 0.26 1.21 -1.34 0.00 0.00 175.55 175.52 2wr4 s ASN 168 N 0.67 6.23 -0.96 4.32 3.84 -1.26 -1.37 114.94 126.42 2wr4 s ASN 168 Ca -0.06 0.26 -0.24 0.00 0.21 0.00 0.00 52.86 53.03 2wr4 s ASN 168 Cb -0.08 -2.16 -0.03 0.00 -0.55 0.00 0.00 41.25 38.43 2wr4 s ASN 168 CO -0.02 -0.01 1.86 0.21 -2.79 0.00 0.00 177.10 176.35 2wr4 s ASN 169 N 1.13 5.39 0.00 -4.21 2.47 -0.41 -4.70 114.94 114.61 2wr4 s ASN 169 Ca 0.12 -0.93 0.21 0.00 0.42 0.00 0.00 52.86 52.67 2wr4 s ASN 169 Cb -0.14 -2.56 0.58 0.00 -1.45 0.00 0.00 41.25 37.67 2wr4 s ASN 169 CO 0.06 -2.54 1.49 0.35 -3.72 0.00 0.00 177.10 172.74 2wr4 n THR 170 N 7.68 0.86 0.57 -5.21 -2.24 -1.26 -1.38 114.28 113.30 2wr4 n THR 170 Ca 0.40 -0.87 0.13 0.00 -2.27 0.00 0.00 64.05 61.43 2wr4 n THR 170 Cb 0.48 0.48 0.42 0.00 -2.10 0.00 0.00 70.33 69.61 2wr4 n THR 170 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2wr4 n SER 171 N 1.44 0.79 0.00 3.42 3.41 -1.26 -4.89 113.62 116.52 2wr4 n SER 171 Ca 0.22 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.43 2wr4 n SER 171 Cb 0.56 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 2wr4 n SER 171 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wr4 n GLY 172 N 1.02 1.24 3.26 5.00 0.00 -1.26 -5.02 105.19 109.43 2wr4 n GLY 172 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 2wr4 n GLY 172 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wr4 s GLU 173 N -0.22 1.08 0.34 1.61 2.02 -1.26 -5.02 118.70 117.25 2wr4 s GLU 173 Ca 0.00 -1.42 -0.29 0.00 0.02 0.00 0.00 54.97 53.28 2wr4 s GLU 173 Cb 0.00 -0.73 -0.12 0.00 0.10 0.00 0.00 34.13 33.39 2wr4 s GLU 173 CO 0.00 0.10 1.45 0.94 0.02 0.00 0.00 175.26 177.78 2wr4 n GLN 174 N -0.07 2.49 -4.44 1.61 7.27 -1.25 -4.52 117.38 118.47 2wr4 n GLN 174 Ca -0.11 0.88 -0.31 0.00 0.07 0.00 0.00 57.00 57.53 2wr4 n GLN 174 Cb 0.60 -2.57 -0.17 0.00 2.41 0.00 0.00 30.24 30.51 2wr4 n GLN 174 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 2wr4 s MET 175 N -1.60 2.59 0.23 3.69 -2.45 -0.89 -0.07 119.30 120.80 2wr4 s MET 175 Ca 0.57 -0.69 -0.30 0.00 -1.25 0.00 0.00 55.69 54.02 2wr4 s MET 175 Cb -0.52 -2.18 -0.09 0.00 1.25 0.00 0.00 34.83 33.30 2wr4 s MET 175 CO 0.59 -0.08 1.11 -1.17 1.05 0.00 0.00 175.02 176.52 2wr4 s LEU 176 N 1.02 4.52 -0.04 4.11 2.96 0.76 -0.58 118.68 131.42 2wr4 s LEU 176 Ca -0.04 2.20 -0.02 0.00 -0.22 0.00 0.00 54.13 56.05 2wr4 s LEU 176 Cb -0.15 -3.62 0.03 0.00 0.50 0.00 0.00 46.19 42.95 2wr4 s LEU 176 CO -0.04 -0.20 0.09 -0.63 -1.32 0.00 0.00 176.35 174.26 2wr4 s ILE 177 N -0.68 -0.04 0.06 6.68 1.01 -0.76 -0.55 121.20 126.93 2wr4 s ILE 177 Ca 0.47 0.13 0.09 0.00 0.00 0.00 0.00 60.65 61.35 2wr4 s ILE 177 Cb -0.31 -0.16 -0.03 0.00 0.01 0.00 0.00 42.46 41.97 2wr4 s ILE 177 CO 0.38 0.05 -0.25 -0.63 0.00 0.00 0.00 174.94 174.49 2wr4 s ILE 178 N 0.79 2.26 0.24 2.92 1.01 -1.26 -1.45 121.20 125.71 2wr4 s ILE 178 Ca -0.06 -1.43 -0.07 0.00 0.00 0.00 0.00 60.65 59.09 2wr4 s ILE 178 Cb -0.08 -1.92 -0.02 0.00 0.01 0.00 0.00 42.46 40.45 2wr4 s ILE 178 CO -0.03 0.31 0.34 -1.66 0.00 0.00 0.00 174.94 173.89 2wr4 s TRP 179 N -0.87 0.75 0.09 3.97 -2.14 0.18 -3.80 118.94 117.12 2wr4 s TRP 179 Ca 0.13 -1.04 -0.08 0.00 2.66 0.00 0.00 56.10 57.76 2wr4 s TRP 179 Cb -0.10 -0.14 -0.00 0.00 -3.10 0.00 0.00 33.47 30.12 2wr4 s TRP 179 CO 0.03 -0.86 0.18 0.20 -2.66 0.00 0.00 176.95 173.84 2wr4 s GLY 180 N -3.10 0.13 -0.04 3.67 0.00 -0.13 0.09 107.32 107.95 2wr4 s GLY 180 Ca 0.30 -0.67 0.07 0.00 0.00 0.00 0.00 44.72 44.42 2wr4 s GLY 180 CO 0.11 -0.84 -0.23 -1.50 0.00 0.00 0.00 173.10 170.64 2wr4 s ILE 181 N -3.87 1.89 0.09 0.90 2.07 -0.33 0.28 121.20 122.22 2wr4 s ILE 181 Ca 0.06 -1.00 -0.11 0.00 -1.41 0.00 0.00 60.65 58.19 2wr4 s ILE 181 Cb 0.05 -1.59 -0.06 0.00 0.13 0.00 0.00 42.46 40.99 2wr4 s ILE 181 CO -0.11 0.53 0.43 -2.28 -1.91 0.00 0.00 174.94 171.61 2wr4 s HIS 182 N -0.35 3.59 -0.27 3.50 5.65 0.76 -1.27 115.29 126.91 2wr4 s HIS 182 Ca 0.03 0.85 0.03 0.00 0.25 0.00 0.00 55.06 56.22 2wr4 s HIS 182 Cb -0.11 -2.21 0.07 0.00 -1.18 0.00 0.00 32.58 29.15 2wr4 s HIS 182 CO 0.01 0.50 -0.07 0.71 -0.65 0.00 0.00 174.74 175.25 2wr4 s TYR 183 N -1.40 3.15 1.06 3.88 2.02 0.15 -4.76 117.35 121.44 2wr4 s TYR 183 Ca 0.34 -2.32 -0.13 0.00 -0.37 0.00 0.00 57.07 54.59 2wr4 s TYR 183 Cb -0.14 -2.02 0.22 0.00 -0.40 0.00 0.00 41.96 39.62 2wr4 s TYR 183 CO 0.18 -0.87 1.08 -2.14 -1.57 0.00 0.00 175.55 172.23 2wr4 s PRO 184 N 1.14 -0.09 0.31 -1.71 0.02 -1.26 -1.01 135.00 132.39 2wr4 s PRO 184 Ca -0.05 0.51 0.17 0.00 0.02 0.00 0.00 61.00 61.65 2wr4 s PRO 184 Cb -0.20 -1.68 0.17 0.00 0.02 0.00 0.00 34.50 32.82 2wr4 s PRO 184 CO -0.06 -3.08 1.50 -0.91 -0.33 0.00 0.00 177.00 174.11 2wr4 h ASN 185 N -2.15 0.00 -4.54 2.53 2.35 -1.86 -3.40 115.58 108.51 2wr4 h ASN 185 Ca -0.56 0.00 0.31 0.00 -0.55 0.00 0.00 56.30 55.50 2wr4 h ASN 185 Cb 1.33 0.00 -0.18 0.00 0.05 0.00 0.00 38.32 39.52 2wr4 h ASN 185 CO 0.55 0.42 0.91 1.51 -1.65 0.00 0.00 177.43 179.16 2wr4 s ASP 186 N -6.41 -0.06 0.48 5.81 3.84 -1.26 -4.59 116.67 114.48 2wr4 s ASP 186 Ca 0.04 -0.02 0.35 0.00 -0.00 0.00 0.00 52.55 52.92 2wr4 s ASP 186 Cb 0.07 0.08 1.48 0.00 -1.38 0.00 0.00 42.92 43.17 2wr4 s ASP 186 CO 0.73 -0.13 1.67 0.44 -0.00 0.00 0.00 175.17 177.88 2wr4 h ASP 187 N 2.00 0.16 0.09 2.11 5.19 -2.00 -2.30 116.42 121.67 2wr4 h ASP 187 Ca -0.12 0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.36 2wr4 h ASP 187 Cb 1.16 0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.72 2wr4 h ASP 187 CO 0.23 -0.07 -0.04 0.74 -3.12 0.00 0.00 179.24 176.97 2wr4 h THR 188 N 0.09 0.00 -0.72 0.35 2.02 -2.01 -3.29 112.91 109.34 2wr4 h THR 188 Ca 0.77 -0.11 0.27 0.00 0.77 0.00 0.00 66.41 68.11 2wr4 h THR 188 Cb 2.66 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 68.94 2wr4 h THR 188 CO -0.23 0.00 0.27 1.21 0.37 0.00 0.00 175.52 177.14 2wr4 n GLU 189 N -2.64 -0.05 -0.11 6.66 2.13 -0.87 0.13 120.64 125.89 2wr4 n GLU 189 Ca -0.02 1.03 -0.07 0.00 0.66 0.00 0.00 57.16 58.76 2wr4 n GLU 189 Cb 0.05 -1.77 -0.01 0.00 0.27 0.00 0.00 31.44 29.98 2wr4 n GLU 189 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 2wr4 h GLN 190 N 0.00 -0.23 -0.40 5.31 5.75 -1.61 -2.78 115.11 121.15 2wr4 h GLN 190 Ca 0.56 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 59.08 2wr4 h GLN 190 Cb 1.39 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.98 2wr4 h GLN 190 CO -0.60 -0.15 0.26 0.00 -2.65 0.00 0.00 178.83 175.69 2wr4 h ARG 191 N -0.23 0.53 0.00 1.69 3.08 0.10 0.62 114.38 120.18 2wr4 h ARG 191 Ca 0.17 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2wr4 h ARG 191 Cb 0.52 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2wr4 h ARG 191 CO -0.51 0.37 0.00 -2.37 -1.07 0.00 0.00 179.97 176.39 2wr4 n THR 192 N -4.79 1.55 -0.08 2.04 5.66 -1.10 0.18 114.28 117.74 2wr4 n THR 192 Ca 0.00 0.40 -0.11 0.00 -3.05 0.00 0.00 64.05 61.29 2wr4 n THR 192 Cb 0.03 -1.29 -0.07 0.00 -1.55 0.00 0.00 70.33 67.45 2wr4 n THR 192 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2wr4 n LEU 193 N -1.52 2.92 0.00 1.09 4.32 0.06 -4.85 117.00 119.02 2wr4 n LEU 193 Ca 0.01 -0.08 0.00 0.00 -0.02 0.00 0.00 56.01 55.92 2wr4 n LEU 193 Cb 0.07 -0.53 0.00 0.00 -1.62 0.00 0.00 43.42 41.34 2wr4 n LEU 193 CO 0.06 0.76 0.07 -1.22 -1.22 0.00 0.00 177.39 175.83 2wr4 n TYR 194 N -2.95 0.00 0.00 -1.77 4.02 0.20 -0.92 117.16 115.73 2wr4 n TYR 194 Ca -0.28 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.61 2wr4 n TYR 194 Cb 0.80 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.12 2wr4 n TYR 194 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2wr4 n GLN 195 N -0.17 0.00 -0.57 -0.72 1.13 0.13 -4.52 117.38 112.66 2wr4 n GLN 195 Ca 0.00 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 54.78 2wr4 n GLN 195 Cb 0.09 0.00 0.25 0.00 0.11 0.00 0.00 30.24 30.69 2wr4 n GLN 195 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2wr4 s ASN 196 N -0.01 1.05 0.01 1.08 0.02 -1.26 -4.53 114.94 111.31 2wr4 s ASN 196 Ca 0.00 1.53 -0.02 0.00 -1.02 0.00 0.00 52.86 53.35 2wr4 s ASN 196 Cb 0.00 -2.30 -0.01 0.00 0.02 0.00 0.00 41.25 38.96 2wr4 s ASN 196 CO 0.00 -4.16 -0.05 0.52 0.02 0.00 0.00 177.10 173.44 2wr4 n VAL 197 N -4.89 0.75 -1.09 1.60 0.31 -1.26 -4.66 118.33 109.09 2wr4 n VAL 197 Ca 0.03 0.17 -0.27 0.00 -0.01 0.00 0.00 64.34 64.26 2wr4 n VAL 197 Cb 0.54 -1.62 -0.07 0.00 -0.91 0.00 0.00 33.84 31.78 2wr4 n VAL 197 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wr4 n GLY 198 N 3.00 3.61 3.88 2.92 0.00 -1.26 -4.93 105.19 112.41 2wr4 n GLY 198 Ca -0.05 -1.27 -0.30 0.00 0.00 0.00 0.00 46.02 44.40 2wr4 n GLY 198 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wr4 s THR 199 N 2.03 4.74 0.10 2.61 -4.23 -1.26 -5.04 115.64 114.59 2wr4 s THR 199 Ca 0.62 0.77 -0.07 0.00 -1.18 0.00 0.00 61.69 61.84 2wr4 s THR 199 Cb 0.20 -3.86 -0.01 0.00 1.34 0.00 0.00 72.50 70.17 2wr4 s THR 199 CO -0.04 -1.07 0.16 -0.72 -0.54 0.00 0.00 174.62 172.41 2wr4 s TYR 200 N -3.07 0.32 -0.13 3.99 -0.85 -1.26 -4.37 117.35 111.97 2wr4 s TYR 200 Ca 0.54 -0.75 0.01 0.00 -0.52 0.00 0.00 57.07 56.35 2wr4 s TYR 200 Cb -0.11 -0.15 0.02 0.00 0.38 0.00 0.00 41.96 42.10 2wr4 s TYR 200 CO 0.51 -0.55 -0.16 0.08 -1.52 0.00 0.00 175.55 173.91 2wr4 s VAL 201 N -3.91 1.64 -0.16 -3.49 1.01 0.83 -2.42 120.40 113.90 2wr4 s VAL 201 Ca 0.09 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.38 2wr4 s VAL 201 Cb 0.05 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.94 2wr4 s VAL 201 CO -0.08 0.47 -0.20 -0.55 0.00 0.00 0.00 175.10 174.75 2wr4 s SER 202 N 1.17 3.24 -0.06 3.32 0.15 0.37 -0.90 113.70 120.99 2wr4 s SER 202 Ca -0.02 -0.60 0.03 0.00 0.70 0.00 0.00 55.95 56.07 2wr4 s SER 202 Cb -0.14 -1.49 0.01 0.00 -1.71 0.00 0.00 66.02 62.69 2wr4 s SER 202 CO -0.06 0.04 -0.14 -0.69 1.20 0.00 0.00 173.24 173.60 2wr4 s VAL 203 N 1.04 1.22 -0.08 4.45 1.01 -0.57 -0.20 120.40 127.27 2wr4 s VAL 203 Ca -0.01 -0.55 -0.14 0.00 0.00 0.00 0.00 61.98 61.28 2wr4 s VAL 203 Cb -0.14 -1.09 0.03 0.00 0.00 0.00 0.00 36.38 35.18 2wr4 s VAL 203 CO -0.06 0.37 0.34 -0.83 0.00 0.00 0.00 175.10 174.92 2wr4 s GLY 204 N 0.46 -0.22 0.00 4.51 0.00 -0.92 -0.57 107.32 110.58 2wr4 s GLY 204 Ca -0.11 0.71 0.00 0.00 0.00 0.00 0.00 44.72 45.32 2wr4 s GLY 204 CO 0.03 0.54 0.00 -1.30 0.00 0.00 0.00 173.10 172.37 2wr4 n THR 205 N 2.15 0.00 0.01 0.90 -2.24 0.99 -0.97 114.28 115.12 2wr4 n THR 205 Ca -0.17 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.59 2wr4 n THR 205 Cb 0.57 0.00 0.22 0.00 -2.10 0.00 0.00 70.33 69.02 2wr4 n THR 205 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2wr4 h SER 206 N 0.00 0.48 0.00 3.42 0.02 -1.99 -3.35 113.55 112.13 2wr4 h SER 206 Ca 0.00 -0.15 -0.11 0.00 -0.84 0.00 0.00 61.79 60.69 2wr4 h SER 206 Cb 0.00 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 2wr4 h SER 206 CO 0.00 0.69 -1.42 0.35 -1.14 0.00 0.00 176.83 175.31 2wr4 n THR 207 N -4.16 0.42 -2.68 -2.27 -2.24 -1.26 -5.00 114.28 97.10 2wr4 n THR 207 Ca 0.00 -0.22 -0.39 0.00 -2.27 0.00 0.00 64.05 61.17 2wr4 n THR 207 Cb 0.37 -0.82 -0.06 0.00 -2.10 0.00 0.00 70.33 67.73 2wr4 n THR 207 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2wr4 s LEU 208 N -4.79 4.52 -0.26 3.22 2.96 -1.26 -5.06 118.68 118.02 2wr4 s LEU 208 Ca -0.05 2.01 -0.16 0.00 -0.22 0.00 0.00 54.13 55.70 2wr4 s LEU 208 Cb 0.02 -3.74 0.07 0.00 0.50 0.00 0.00 46.19 43.04 2wr4 s LEU 208 CO 0.22 -0.01 0.65 0.54 -1.32 0.00 0.00 176.35 176.43 2wr4 s ASN 209 N -1.23 -0.85 -0.22 3.68 2.20 -1.26 -0.00 114.94 117.25 2wr4 s ASN 209 Ca 0.45 1.41 -0.25 0.00 -0.94 0.00 0.00 52.86 53.53 2wr4 s ASN 209 Cb -0.26 1.30 0.07 0.00 -2.00 0.00 0.00 41.25 40.36 2wr4 s ASN 209 CO 0.32 -0.23 0.68 -0.75 -2.94 0.00 0.00 177.10 174.18 2wr4 s LYS 210 N 1.43 0.84 -0.18 3.55 2.20 0.27 -4.98 119.74 122.86 2wr4 s LYS 210 Ca -0.09 0.83 -0.02 0.00 -0.36 0.00 0.00 55.97 56.34 2wr4 s LYS 210 Cb -0.05 0.41 0.05 0.00 -1.51 0.00 0.00 37.83 36.72 2wr4 s LYS 210 CO -0.16 -0.13 0.01 0.50 -0.36 0.00 0.00 175.35 175.21 2wr4 s ARG 211 N 0.11 0.87 -0.02 4.03 6.06 -1.26 -1.51 118.95 127.23 2wr4 s ARG 211 Ca -0.02 -0.41 0.01 0.00 -2.50 0.00 0.00 55.73 52.81 2wr4 s ARG 211 Cb -0.04 -1.97 -0.03 0.00 0.06 0.00 0.00 34.95 32.96 2wr4 s ARG 211 CO 0.02 -0.55 -0.01 -1.12 -2.50 0.00 0.00 175.30 171.14 2wr4 s SER 212 N 1.79 5.06 0.04 -2.12 0.01 -0.08 -4.94 113.70 113.46 2wr4 s SER 212 Ca -0.00 0.01 0.08 0.00 1.31 0.00 0.00 55.95 57.34 2wr4 s SER 212 Cb -0.16 -1.32 -0.03 0.00 0.21 0.00 0.00 66.02 64.72 2wr4 s SER 212 CO -0.07 0.31 -0.23 0.27 0.41 0.00 0.00 173.24 173.93 2wr4 s ILE 213 N -1.02 1.82 0.08 1.44 -0.00 -1.26 -0.12 121.20 122.14 2wr4 s ILE 213 Ca 0.18 -1.25 -0.33 0.00 -0.00 0.00 0.00 60.65 59.24 2wr4 s ILE 213 Cb -0.11 -1.57 -0.12 0.00 -0.00 0.00 0.00 42.46 40.65 2wr4 s ILE 213 CO 0.08 0.27 1.77 -2.65 -0.00 0.00 0.00 174.94 174.40 2wr4 n PRO 214 N 1.85 2.43 -3.30 0.37 -0.02 -1.26 -4.97 135.00 130.09 2wr4 n PRO 214 Ca -0.17 0.88 -0.47 0.00 -2.02 0.00 0.00 63.50 61.73 2wr4 n PRO 214 Cb 0.53 -2.72 -0.02 0.00 -0.02 0.00 0.00 33.50 31.27 2wr4 n PRO 214 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2wr4 s GLU 215 N 2.50 3.66 0.33 -0.52 2.02 -1.26 -5.05 118.70 120.37 2wr4 s GLU 215 Ca 0.84 -2.49 -0.28 0.00 0.02 0.00 0.00 54.97 53.06 2wr4 s GLU 215 Cb -0.60 -4.48 -0.09 0.00 0.10 0.00 0.00 34.13 29.06 2wr4 s GLU 215 CO 0.41 -1.32 1.10 0.42 0.02 0.00 0.00 175.26 175.90 2wr4 s ILE 216 N 0.20 3.47 0.00 -1.63 1.01 -1.26 -4.88 121.20 118.11 2wr4 s ILE 216 Ca 0.20 1.36 -0.29 0.00 0.00 0.00 0.00 60.65 61.93 2wr4 s ILE 216 Cb -0.10 -3.82 0.10 0.00 0.01 0.00 0.00 42.46 38.65 2wr4 s ILE 216 CO -0.09 0.23 0.91 0.00 0.00 0.00 0.00 174.94 176.00 2wr4 s ALA 217 N -1.31 -1.82 -0.17 9.38 0.00 -1.26 -5.09 121.76 121.49 2wr4 s ALA 217 Ca 0.49 0.94 -0.24 0.00 0.00 0.00 0.00 51.96 53.15 2wr4 s ALA 217 Cb -0.30 0.42 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 2wr4 s ALA 217 CO 0.38 -0.73 0.79 0.99 0.00 0.00 0.00 175.76 177.19 2wr4 s THR 218 N -3.10 4.91 -0.00 0.00 2.01 -1.26 -4.75 115.64 113.44 2wr4 s THR 218 Ca 0.06 1.54 0.02 0.00 0.31 0.00 0.00 61.69 63.62 2wr4 s THR 218 Cb -0.01 -4.10 -0.01 0.00 0.01 0.00 0.00 72.50 68.40 2wr4 s THR 218 CO -0.08 0.04 -0.07 -0.13 -0.69 0.00 0.00 174.62 173.70 2wr4 s ARG 219 N 2.09 0.55 1.15 4.92 0.52 -1.26 -5.14 118.95 121.78 2wr4 s ARG 219 Ca 0.36 -0.25 -0.18 0.00 -0.52 0.00 0.00 55.73 55.15 2wr4 s ARG 219 Cb -0.16 -0.53 0.18 0.00 0.52 0.00 0.00 34.95 34.96 2wr4 s ARG 219 CO 0.12 0.14 0.30 -2.30 0.02 0.00 0.00 175.30 173.59 2wr4 n PRO 220 N 2.89 -2.32 -3.94 3.54 -0.02 -1.26 -4.65 135.00 129.24 2wr4 n PRO 220 Ca -0.13 -0.67 -0.35 0.00 -2.02 0.00 0.00 63.50 60.33 2wr4 n PRO 220 Cb 0.58 -1.73 -0.09 0.00 -0.02 0.00 0.00 33.50 32.24 2wr4 n PRO 220 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2wr4 s LYS 221 N -3.76 3.89 -0.13 -0.52 1.02 -1.25 -4.37 119.74 114.62 2wr4 s LYS 221 Ca 0.54 -0.28 0.02 0.00 0.02 0.00 0.00 55.97 56.27 2wr4 s LYS 221 Cb -0.12 -3.24 0.00 0.00 -0.52 0.00 0.00 37.83 33.95 2wr4 s LYS 221 CO 0.57 0.38 -0.19 0.08 -0.92 0.00 0.00 175.35 175.27 2wr4 s VAL 222 N 0.08 2.36 -1.15 3.17 1.01 0.83 -4.47 120.40 122.22 2wr4 s VAL 222 Ca 0.07 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.16 2wr4 s VAL 222 Cb -0.12 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.30 2wr4 s VAL 222 CO 0.00 0.54 0.00 0.59 0.00 0.00 0.00 175.10 176.23 2wr4 n ASN 223 N 3.85 -4.16 0.00 3.32 3.02 -1.26 -1.02 115.26 119.02 2wr4 n ASN 223 Ca -0.19 0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 2wr4 n ASN 223 Cb 0.52 -3.52 0.00 0.00 -0.61 0.00 0.00 39.78 36.17 2wr4 n ASN 223 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wr4 n GLY 224 N -0.82 0.70 3.48 7.41 0.00 -1.26 -4.54 105.19 110.17 2wr4 n GLY 224 Ca -0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 2wr4 n GLY 224 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wr4 s GLN 225 N -0.23 1.74 -0.00 1.61 -1.52 -0.19 -4.96 119.66 116.11 2wr4 s GLN 225 Ca 0.00 -1.42 0.06 0.00 -1.95 0.00 0.00 55.36 52.05 2wr4 s GLN 225 Cb 0.00 -1.98 -0.08 0.00 -0.22 0.00 0.00 33.01 30.74 2wr4 s GLN 225 CO 0.00 0.41 0.19 0.41 -0.25 0.00 0.00 175.29 176.05 2wr4 n GLY 226 N 0.17 0.11 3.90 3.09 0.00 -1.26 -0.12 105.19 111.08 2wr4 n GLY 226 Ca -0.12 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 2wr4 n GLY 226 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wr4 s GLY 227 N -2.08 1.59 0.17 -0.02 0.00 -1.26 -4.56 107.32 101.17 2wr4 s GLY 227 Ca 0.00 -0.44 0.04 0.00 0.00 0.00 0.00 44.72 44.32 2wr4 s GLY 227 CO 0.24 -0.18 -0.07 0.50 0.00 0.00 0.00 173.10 173.59 2wr4 s ARG 228 N -5.03 1.14 -0.08 2.90 1.81 -0.18 -4.64 118.95 114.86 2wr4 s ARG 228 Ca 0.53 -1.51 0.01 0.00 -1.72 0.00 0.00 55.73 53.04 2wr4 s ARG 228 Cb -0.11 -0.61 0.02 0.00 -0.45 0.00 0.00 34.95 33.80 2wr4 s ARG 228 CO 0.48 0.02 -0.09 -1.64 -0.68 0.00 0.00 175.30 173.39 2wr4 s MET 229 N -3.78 1.52 -0.21 3.54 -1.94 -0.36 0.30 119.30 118.36 2wr4 s MET 229 Ca 0.20 -0.31 -0.06 0.00 -1.71 0.00 0.00 55.69 53.81 2wr4 s MET 229 Cb 0.03 -1.42 -0.03 0.00 2.01 0.00 0.00 34.83 35.43 2wr4 s MET 229 CO 0.03 -0.11 0.03 -2.00 -0.01 0.00 0.00 175.02 172.96 2wr4 s GLU 230 N 1.15 3.68 -0.04 2.03 2.12 -0.40 -2.29 118.70 124.94 2wr4 s GLU 230 Ca -0.06 -0.48 -0.01 0.00 0.36 0.00 0.00 54.97 54.78 2wr4 s GLU 230 Cb -0.14 -3.18 -0.04 0.00 0.26 0.00 0.00 34.13 31.03 2wr4 s GLU 230 CO -0.02 -0.02 0.05 -0.06 -0.54 0.00 0.00 175.26 174.67 2wr4 s PHE 231 N 1.13 3.25 0.25 5.30 0.40 -0.87 -1.19 117.98 126.24 2wr4 s PHE 231 Ca 0.03 0.22 0.03 0.00 -0.60 0.00 0.00 56.93 56.62 2wr4 s PHE 231 Cb -0.14 -1.77 -0.05 0.00 0.51 0.00 0.00 43.02 41.56 2wr4 s PHE 231 CO 0.02 0.53 0.02 -1.12 0.70 0.00 0.00 175.22 175.37 2wr4 s SER 232 N -1.34 1.84 0.05 1.36 0.01 0.11 -0.59 113.70 115.13 2wr4 s SER 232 Ca 0.18 -1.26 -0.09 0.00 1.31 0.00 0.00 55.95 56.09 2wr4 s SER 232 Cb -0.12 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.13 2wr4 s SER 232 CO 0.08 -0.55 0.19 -1.66 0.41 0.00 0.00 173.24 171.71 2wr4 s TRP 233 N -3.44 0.08 0.05 2.43 1.48 -1.26 -0.65 118.94 117.63 2wr4 s TRP 233 Ca 0.31 -0.33 -0.07 0.00 -1.06 0.00 0.00 56.10 54.94 2wr4 s TRP 233 Cb 0.06 -0.04 -0.01 0.00 -1.16 0.00 0.00 33.47 32.33 2wr4 s TRP 233 CO 0.10 -0.44 0.14 -0.08 -4.06 0.00 0.00 176.95 172.61 2wr4 s THR 234 N -2.75 0.13 -0.31 0.66 -1.32 -0.53 -5.00 115.64 106.53 2wr4 s THR 234 Ca -0.04 -1.11 -0.15 0.00 -1.21 0.00 0.00 61.69 59.18 2wr4 s THR 234 Cb -0.00 -1.07 -0.02 0.00 -1.51 0.00 0.00 72.50 69.89 2wr4 s THR 234 CO -0.05 -0.61 0.38 -0.76 -2.21 0.00 0.00 174.62 171.37 2wr4 s LEU 235 N -2.38 4.26 -0.33 9.08 1.43 -1.26 -1.83 118.68 127.64 2wr4 s LEU 235 Ca -0.01 0.00 -0.21 0.00 -1.03 0.00 0.00 54.13 52.88 2wr4 s LEU 235 Cb 0.01 -2.39 -0.00 0.00 0.03 0.00 0.00 46.19 43.84 2wr4 s LEU 235 CO -0.07 -0.29 0.65 -0.22 0.23 0.00 0.00 176.35 176.66 2wr4 s LEU 236 N 2.08 4.19 0.67 1.79 2.96 0.25 -4.93 118.68 125.69 2wr4 s LEU 236 Ca 0.14 0.30 -0.14 0.00 -0.22 0.00 0.00 54.13 54.21 2wr4 s LEU 236 Cb -0.16 -2.83 0.00 0.00 0.50 0.00 0.00 46.19 43.70 2wr4 s LEU 236 CO 0.11 -0.56 1.08 -0.70 -1.32 0.00 0.00 176.35 174.96 2wr4 s GLU 237 N 2.72 2.88 0.32 1.98 2.56 -1.26 -2.10 118.70 125.80 2wr4 s GLU 237 Ca 0.26 1.22 -0.29 0.00 0.00 0.00 0.00 54.97 56.15 2wr4 s GLU 237 Cb -0.14 -1.97 -0.11 0.00 2.00 0.00 0.00 34.13 33.90 2wr4 s GLU 237 CO 0.14 -1.17 1.50 0.95 -0.56 0.00 0.00 175.26 176.12 2wr4 s THR 238 N -2.60 2.23 0.00 -1.70 -4.23 -1.26 -1.91 115.64 106.17 2wr4 s THR 238 Ca 0.63 0.21 0.00 0.00 -1.18 0.00 0.00 61.69 61.35 2wr4 s THR 238 Cb -0.17 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.53 2wr4 s THR 238 CO 0.45 0.04 0.00 0.79 -0.54 0.00 0.00 174.62 175.36 2wr4 n TRP 239 N 1.44 0.00 -3.11 3.99 5.03 -0.48 -5.00 117.44 119.32 2wr4 n TRP 239 Ca 0.04 0.00 -0.25 0.00 3.03 0.00 0.00 57.50 60.33 2wr4 n TRP 239 Cb 0.39 -0.68 -0.00 0.00 -1.03 0.00 0.00 31.31 29.98 2wr4 n TRP 239 CO 0.00 0.00 0.00 0.34 -0.03 0.00 0.00 177.69 178.00 2wr4 s ASP 240 N -2.37 6.20 0.16 -0.99 3.68 -0.80 -4.83 116.67 117.73 2wr4 s ASP 240 Ca 0.00 0.55 0.11 0.00 2.13 0.00 0.00 52.55 55.34 2wr4 s ASP 240 Cb 0.00 -2.01 -0.04 0.00 -1.45 0.00 0.00 42.92 39.42 2wr4 s ASP 240 CO 0.00 -0.44 -0.25 0.54 0.13 0.00 0.00 175.17 175.14 2wr4 s VAL 241 N -2.48 2.27 -0.10 1.11 0.11 -1.26 -1.29 120.40 118.76 2wr4 s VAL 241 Ca 0.43 -1.88 0.03 0.00 -2.93 0.00 0.00 61.98 57.63 2wr4 s VAL 241 Cb -0.10 -2.04 -0.01 0.00 -1.53 0.00 0.00 36.38 32.70 2wr4 s VAL 241 CO 0.39 -0.02 -0.19 -0.51 -3.33 0.00 0.00 175.10 171.44 2wr4 s ILE 242 N -1.37 2.57 -0.22 7.04 2.07 -0.47 -4.35 121.20 126.47 2wr4 s ILE 242 Ca 0.17 -0.85 -0.04 0.00 -1.41 0.00 0.00 60.65 58.51 2wr4 s ILE 242 Cb -0.09 -2.02 -0.01 0.00 0.13 0.00 0.00 42.46 40.47 2wr4 s ILE 242 CO 0.08 0.55 -0.03 0.20 -1.91 0.00 0.00 174.94 173.83 2wr4 s ASN 243 N 0.12 4.43 -0.01 4.50 0.01 -0.15 -1.69 114.94 122.14 2wr4 s ASN 243 Ca -0.09 -0.35 -0.13 0.00 -0.71 0.00 0.00 52.86 51.58 2wr4 s ASN 243 Cb -0.15 -1.76 -0.05 0.00 0.41 0.00 0.00 41.25 39.69 2wr4 s ASN 243 CO 0.06 -0.01 0.36 -0.36 -1.51 0.00 0.00 177.10 175.63 2wr4 s PHE 244 N 1.43 3.69 -0.11 2.20 0.40 0.12 -2.17 117.98 123.53 2wr4 s PHE 244 Ca 0.05 0.88 -0.05 0.00 -0.60 0.00 0.00 56.93 57.21 2wr4 s PHE 244 Cb -0.14 -2.20 0.05 0.00 0.51 0.00 0.00 43.02 41.23 2wr4 s PHE 244 CO -0.02 0.65 0.26 -2.00 0.70 0.00 0.00 175.22 174.81 2wr4 s GLU 245 N -1.18 0.21 -0.19 0.44 2.12 0.72 -2.87 118.70 117.95 2wr4 s GLU 245 Ca 0.23 0.55 -0.15 0.00 0.36 0.00 0.00 54.97 55.96 2wr4 s GLU 245 Cb -0.15 -0.12 0.05 0.00 0.26 0.00 0.00 34.13 34.17 2wr4 s GLU 245 CO 0.12 -0.16 0.50 0.45 -0.54 0.00 0.00 175.26 175.63 2wr4 s SER 246 N 1.29 -0.57 -0.02 -1.70 0.15 0.01 0.14 113.70 113.00 2wr4 s SER 246 Ca -0.09 1.04 0.20 0.00 0.70 0.00 0.00 55.95 57.79 2wr4 s SER 246 Cb -0.10 1.00 0.60 0.00 -1.71 0.00 0.00 66.02 65.81 2wr4 s SER 246 CO -0.09 -0.19 1.50 0.35 1.20 0.00 0.00 173.24 176.01 2wr4 n THR 247 N 3.34 1.02 0.00 6.45 -2.24 -1.01 -0.87 114.28 120.95 2wr4 n THR 247 Ca -0.17 -0.91 0.00 0.00 -2.27 0.00 0.00 64.05 60.70 2wr4 n THR 247 Cb 0.56 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 2wr4 n THR 247 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr4 n GLY 248 N 1.46 4.13 2.51 3.38 0.00 -1.26 -4.76 105.19 110.66 2wr4 n GLY 248 Ca 0.22 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.99 2wr4 n GLY 248 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wr4 n ASN 249 N 0.00 -1.45 -4.68 1.61 3.02 -1.26 -4.28 115.26 108.22 2wr4 n ASN 249 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 2wr4 n ASN 249 Cb 0.00 -0.24 -0.03 0.00 -0.61 0.00 0.00 39.78 38.90 2wr4 n ASN 249 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2wr4 s LEU 250 N 0.00 4.22 -0.47 3.41 2.96 -1.26 -0.17 118.68 127.37 2wr4 s LEU 250 Ca 0.00 1.37 -0.15 0.00 -0.22 0.00 0.00 54.13 55.13 2wr4 s LEU 250 Cb 0.00 -3.40 0.08 0.00 0.50 0.00 0.00 46.19 43.36 2wr4 s LEU 250 CO 0.00 -0.42 0.39 -0.63 -1.32 0.00 0.00 176.35 174.37 2wr4 s ILE 251 N 2.03 5.12 0.21 6.68 -1.09 0.14 -3.43 121.20 130.86 2wr4 s ILE 251 Ca 0.44 -1.13 -0.10 0.00 -2.23 0.00 0.00 60.65 57.63 2wr4 s ILE 251 Cb -0.17 -4.08 -0.07 0.00 -1.58 0.00 0.00 42.46 36.56 2wr4 s ILE 251 CO 0.15 -0.59 0.52 0.00 -1.23 0.00 0.00 174.94 173.80 2wr4 s ALA 252 N 1.61 3.60 0.47 9.38 0.00 -0.22 -0.96 121.76 135.64 2wr4 s ALA 252 Ca 0.04 -0.29 -0.21 0.00 0.00 0.00 0.00 51.96 51.50 2wr4 s ALA 252 Cb -0.24 -2.40 -0.08 0.00 0.00 0.00 0.00 23.12 20.39 2wr4 s ALA 252 CO 0.06 0.52 1.04 -1.25 0.00 0.00 0.00 175.76 176.14 2wr4 s PRO 253 N -2.69 3.84 -0.09 0.00 0.05 -1.25 -0.17 135.00 134.70 2wr4 s PRO 253 Ca 0.45 1.39 0.18 0.00 0.05 0.00 0.00 61.00 63.08 2wr4 s PRO 253 Cb -0.12 -2.16 -0.27 0.00 0.05 0.00 0.00 34.50 32.00 2wr4 s PRO 253 CO 0.21 -0.40 0.28 -1.91 0.05 0.00 0.00 177.00 175.23 2wr4 n GLU 254 N -0.84 0.77 -4.36 4.56 2.13 0.09 -4.62 120.64 118.37 2wr4 n GLU 254 Ca 0.09 -0.11 -0.24 0.00 0.66 0.00 0.00 57.16 57.56 2wr4 n GLU 254 Cb 0.52 -1.47 -0.11 0.00 0.27 0.00 0.00 31.44 30.65 2wr4 n GLU 254 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2wr4 s TYR 255 N -2.99 1.97 0.50 4.31 1.51 -1.22 -1.61 117.35 119.82 2wr4 s TYR 255 Ca -0.08 -0.43 0.02 0.00 -1.01 0.00 0.00 57.07 55.57 2wr4 s TYR 255 Cb 0.10 -0.99 -0.02 0.00 -0.11 0.00 0.00 41.96 40.94 2wr4 s TYR 255 CO 0.79 0.38 0.01 0.20 -1.11 0.00 0.00 175.55 175.81 2wr4 s GLY 256 N -2.60 2.97 -0.18 0.71 0.00 -0.05 -4.67 107.32 103.50 2wr4 s GLY 256 Ca 0.17 -0.54 -0.02 0.00 0.00 0.00 0.00 44.72 44.33 2wr4 s GLY 256 CO 0.07 -2.17 0.00 -1.36 0.00 0.00 0.00 173.10 169.64 2wr4 s PHE 257 N -2.89 1.30 0.27 1.90 0.40 0.29 -1.51 117.98 117.75 2wr4 s PHE 257 Ca 0.09 -0.94 -0.30 0.00 -0.60 0.00 0.00 56.93 55.17 2wr4 s PHE 257 Cb 0.02 -1.13 -0.11 0.00 0.51 0.00 0.00 43.02 42.31 2wr4 s PHE 257 CO 0.05 -0.60 1.53 0.15 0.70 0.00 0.00 175.22 177.05 2wr4 s LYS 258 N 1.76 4.18 -0.07 0.44 1.02 0.36 -0.17 119.74 127.26 2wr4 s LYS 258 Ca -0.01 2.46 -0.06 0.00 0.02 0.00 0.00 55.97 58.39 2wr4 s LYS 258 Cb -0.16 -3.06 0.02 0.00 -0.52 0.00 0.00 37.83 34.11 2wr4 s LYS 258 CO -0.07 -0.55 0.18 -1.50 -0.92 0.00 0.00 175.35 172.49 2wr4 s ILE 259 N 0.02 -0.01 0.05 2.17 2.07 0.89 -1.32 121.20 125.07 2wr4 s ILE 259 Ca 0.62 0.04 0.05 0.00 -1.41 0.00 0.00 60.65 59.95 2wr4 s ILE 259 Cb -0.45 -0.27 -0.02 0.00 0.13 0.00 0.00 42.46 41.85 2wr4 s ILE 259 CO 0.46 0.02 -0.14 -0.44 -1.91 0.00 0.00 174.94 172.92 2wr4 s SER 260 N 0.39 1.68 -0.01 4.50 0.01 -0.68 -3.75 113.70 115.85 2wr4 s SER 260 Ca -0.02 -0.50 0.03 0.00 1.31 0.00 0.00 55.95 56.76 2wr4 s SER 260 Cb -0.04 -0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.09 2wr4 s SER 260 CO -0.02 0.01 -0.09 -0.54 0.41 0.00 0.00 173.24 173.01 2wr4 s LYS 261 N -1.29 0.71 -0.05 12.44 1.02 -1.26 0.33 119.74 131.64 2wr4 s LYS 261 Ca 0.01 -0.31 -0.03 0.00 0.02 0.00 0.00 55.97 55.66 2wr4 s LYS 261 Cb -0.08 -0.69 -0.01 0.00 -0.52 0.00 0.00 37.83 36.53 2wr4 s LYS 261 CO 0.02 0.19 -0.05 0.07 -0.92 0.00 0.00 175.35 174.65 2wr4 h ARG 262 N 5.94 0.00 0.00 1.68 -0.00 -1.90 -3.48 114.38 116.62 2wr4 h ARG 262 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.68 2wr4 h ARG 262 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.15 2wr4 h ARG 262 CO 0.50 0.00 0.00 0.41 -0.00 0.00 0.00 179.97 180.88 2wr4 n GLY 263 N 1.76 5.58 3.53 0.08 0.00 -1.26 -5.17 105.19 109.72 2wr4 n GLY 263 Ca -0.02 -1.03 -0.25 0.00 0.00 0.00 0.00 46.02 44.72 2wr4 n GLY 263 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wr4 s SER 264 N 1.00 3.21 0.00 1.61 0.01 -1.26 -4.67 113.70 113.60 2wr4 s SER 264 Ca 0.00 -1.33 0.00 0.00 1.31 0.00 0.00 55.95 55.93 2wr4 s SER 264 Cb 0.00 -0.26 0.00 0.00 0.21 0.00 0.00 66.02 65.97 2wr4 s SER 264 CO 0.00 -0.47 0.00 -0.24 0.41 0.00 0.00 173.24 172.94 2wr4 n SER 265 N -0.81 2.65 -3.62 2.44 2.88 -1.26 -4.90 113.62 111.01 2wr4 n SER 265 Ca -0.04 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.40 2wr4 n SER 265 Cb 0.66 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.10 2wr4 n SER 265 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2wr4 s GLY 266 N 0.00 -0.38 -0.12 0.46 0.00 -1.26 -4.74 107.32 101.28 2wr4 s GLY 266 Ca 0.00 0.13 -0.20 0.00 0.00 0.00 0.00 44.72 44.65 2wr4 s GLY 266 CO 0.00 0.05 0.58 -0.42 0.00 0.00 0.00 173.10 173.31 2wr4 s ILE 267 N -3.83 5.11 -0.28 0.90 1.01 -1.26 -2.39 121.20 120.47 2wr4 s ILE 267 Ca 0.05 1.16 -0.09 0.00 0.00 0.00 0.00 60.65 61.77 2wr4 s ILE 267 Cb -0.03 -3.91 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 2wr4 s ILE 267 CO -0.04 0.26 0.12 -0.32 0.00 0.00 0.00 174.94 174.96 2wr4 s MET 268 N 0.95 3.58 -0.33 2.79 -2.45 0.14 -4.89 119.30 119.10 2wr4 s MET 268 Ca 0.30 -0.54 -0.28 0.00 -1.25 0.00 0.00 55.69 53.92 2wr4 s MET 268 Cb -0.16 -3.47 0.01 0.00 1.25 0.00 0.00 34.83 32.47 2wr4 s MET 268 CO 0.13 -0.27 1.01 0.15 1.05 0.00 0.00 175.02 177.09 2wr4 s LYS 269 N 1.64 4.00 0.10 4.11 3.01 -1.25 -2.44 119.74 128.91 2wr4 s LYS 269 Ca 0.06 0.90 -0.27 0.00 -1.01 0.00 0.00 55.97 55.65 2wr4 s LYS 269 Cb -0.16 -3.75 0.08 0.00 -1.01 0.00 0.00 37.83 32.99 2wr4 s LYS 269 CO 0.06 -0.89 1.07 -0.08 0.51 0.00 0.00 175.35 176.02 2wr4 s THR 270 N 3.54 0.00 -0.22 2.17 -1.32 -1.09 -4.89 115.64 113.83 2wr4 s THR 270 Ca 0.42 -0.52 0.04 0.00 -1.21 0.00 0.00 61.69 60.43 2wr4 s THR 270 Cb -0.12 -2.05 -0.04 0.00 -1.51 0.00 0.00 72.50 68.77 2wr4 s THR 270 CO 0.16 0.00 0.20 -0.62 -2.21 0.00 0.00 174.62 172.15 2wr4 n GLU 271 N -0.49 5.35 -0.69 7.08 1.02 -1.26 -3.99 120.64 127.66 2wr4 n GLU 271 Ca -0.07 -0.03 -0.32 0.00 -0.02 0.00 0.00 57.16 56.73 2wr4 n GLU 271 Cb 0.61 -0.72 0.16 0.00 -0.02 0.00 0.00 31.44 31.48 2wr4 n GLU 271 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2wr4 n LYS 272 N -1.05 -0.94 -4.18 3.49 5.02 -1.26 -5.04 118.16 114.20 2wr4 n LYS 272 Ca 0.01 -0.23 -0.18 0.00 -2.02 0.00 0.00 58.31 55.89 2wr4 n LYS 272 Cb 0.07 -1.98 -0.12 0.00 -0.02 0.00 0.00 35.03 32.98 2wr4 n LYS 272 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wr4 s THR 273 N -2.41 0.99 0.30 -0.18 -4.23 -1.26 -5.03 115.64 103.82 2wr4 s THR 273 Ca 0.60 -1.20 -0.27 0.00 -1.18 0.00 0.00 61.69 59.65 2wr4 s THR 273 Cb -0.20 -0.96 -0.14 0.00 1.34 0.00 0.00 72.50 72.54 2wr4 s THR 273 CO 0.65 -0.21 0.88 -0.11 -0.54 0.00 0.00 174.62 175.29 2wr4 n LEU 274 N 1.44 1.18 0.00 4.79 0.00 -1.26 -4.35 117.00 118.80 2wr4 n LEU 274 Ca -0.21 1.13 0.00 0.00 0.00 0.00 0.00 56.01 56.94 2wr4 n LEU 274 Cb 0.54 -1.22 0.00 0.00 0.00 0.00 0.00 43.42 42.74 2wr4 n LEU 274 CO 0.22 -1.81 0.07 1.21 0.00 0.00 0.00 177.39 177.07 2wr4 n GLU 275 N 0.71 0.05 -1.44 1.96 2.13 -0.83 -4.98 120.64 118.24 2wr4 n GLU 275 Ca 0.11 -0.14 0.00 0.00 0.66 0.00 0.00 57.16 57.79 2wr4 n GLU 275 Cb 0.32 -0.59 0.00 0.00 0.27 0.00 0.00 31.44 31.44 2wr4 n GLU 275 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2wr4 n ASN 276 N -0.05 -1.92 -2.39 4.31 2.85 -1.26 -5.06 115.26 111.73 2wr4 n ASN 276 Ca 0.00 0.00 -0.08 0.00 -0.11 0.00 0.00 54.58 54.39 2wr4 n ASN 276 Cb 0.15 -0.84 0.01 0.00 1.24 0.00 0.00 39.78 40.34 2wr4 n ASN 276 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2wr4 s GLU 278 N -2.21 1.31 0.08 0.00 2.56 -1.26 -2.11 118.70 117.06 2wr4 s GLU 278 Ca 0.15 -1.01 -0.12 0.00 0.00 0.00 0.00 54.97 53.99 2wr4 s GLU 278 Cb -0.03 -1.47 0.01 0.00 2.00 0.00 0.00 34.13 34.65 2wr4 s GLU 278 CO 0.11 0.37 0.28 0.99 -0.56 0.00 0.00 175.26 176.44 2wr4 s THR 279 N -0.91 0.10 -1.20 -1.70 2.01 -0.83 -4.89 115.64 108.24 2wr4 s THR 279 Ca 0.07 -0.85 0.23 0.00 0.31 0.00 0.00 61.69 61.45 2wr4 s THR 279 Cb -0.09 -1.15 -0.05 0.00 0.01 0.00 0.00 72.50 71.22 2wr4 s THR 279 CO 0.03 -0.47 1.21 2.29 -0.69 0.00 0.00 174.62 176.99 2wr4 n LYS 280 N 0.12 0.22 -3.57 4.92 0.00 -1.26 -2.63 118.16 115.97 2wr4 n LYS 280 Ca -0.17 -0.16 -0.11 0.00 -0.00 0.00 0.00 58.31 57.87 2wr4 n LYS 280 Cb 0.62 -1.50 -0.11 0.00 -0.00 0.00 0.00 35.03 34.04 2wr4 n LYS 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wr4 s GLN 282 N 2.50 2.59 0.16 0.00 2.00 -0.03 -1.05 119.66 125.82 2wr4 s GLN 282 Ca 0.04 -0.67 0.05 0.00 -2.00 0.00 0.00 55.36 52.77 2wr4 s GLN 282 Cb -0.13 -2.50 -0.04 0.00 0.80 0.00 0.00 33.01 31.13 2wr4 s GLN 282 CO -0.12 0.62 -0.11 0.95 -0.50 0.00 0.00 175.29 176.14 2wr4 s THR 283 N -0.90 1.27 -0.90 -0.34 -4.23 -0.58 -1.15 115.64 108.80 2wr4 s THR 283 Ca 0.15 -2.09 0.12 0.00 -1.18 0.00 0.00 61.69 58.69 2wr4 s THR 283 Cb -0.11 -1.89 0.11 0.00 1.34 0.00 0.00 72.50 71.95 2wr4 s THR 283 CO 0.04 -0.72 1.38 -2.65 -0.54 0.00 0.00 174.62 172.13 2wr4 n PRO 284 N -0.23 0.03 -0.03 3.99 -0.02 -1.26 -1.82 135.00 135.66 2wr4 n PRO 284 Ca -0.10 0.36 -0.11 0.00 -2.02 0.00 0.00 63.50 61.63 2wr4 n PRO 284 Cb 0.61 -1.56 -0.14 0.00 -0.02 0.00 0.00 33.50 32.38 2wr4 n PRO 284 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wr4 n LEU 285 N -1.62 1.09 0.00 2.45 4.77 -1.26 -4.90 117.00 117.52 2wr4 n LEU 285 Ca 0.02 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 2wr4 n LEU 285 Cb 0.12 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2wr4 n LEU 285 CO 0.10 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 2wr4 n GLY 286 N 1.64 0.38 3.81 -0.72 0.00 -0.76 -4.10 105.19 105.46 2wr4 n GLY 286 Ca -0.21 -1.12 -0.37 0.00 0.00 0.00 0.00 46.02 44.32 2wr4 n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr4 s ALA 287 N -2.00 3.48 -0.19 4.61 0.00 -0.91 -1.53 121.76 125.22 2wr4 s ALA 287 Ca 0.00 0.13 -0.07 0.00 0.00 0.00 0.00 51.96 52.02 2wr4 s ALA 287 Cb 0.00 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 2wr4 s ALA 287 CO 0.00 0.36 0.06 0.42 0.00 0.00 0.00 175.76 176.59 2wr4 s ILE 288 N -1.35 4.69 -0.32 0.00 1.09 -0.22 -1.18 121.20 123.92 2wr4 s ILE 288 Ca 0.38 -0.07 0.02 0.00 -1.10 0.00 0.00 60.65 59.88 2wr4 s ILE 288 Cb -0.18 -3.12 0.10 0.00 -1.06 0.00 0.00 42.46 38.19 2wr4 s ILE 288 CO 0.21 0.45 0.06 0.21 -0.10 0.00 0.00 174.94 175.77 2wr4 s ASN 289 N 0.50 4.39 0.07 3.58 2.47 -1.26 -4.20 114.94 120.49 2wr4 s ASN 289 Ca 0.03 -1.86 -0.13 0.00 0.42 0.00 0.00 52.86 51.33 2wr4 s ASN 289 Cb -0.13 -1.29 0.02 0.00 -1.45 0.00 0.00 41.25 38.40 2wr4 s ASN 289 CO 0.01 -0.38 0.28 0.28 -3.72 0.00 0.00 177.10 173.58 2wr4 s THR 290 N 1.23 0.10 -0.19 -5.21 -1.32 -1.26 -5.01 115.64 103.98 2wr4 s THR 290 Ca 0.09 -0.81 0.22 0.00 -1.21 0.00 0.00 61.69 59.98 2wr4 s THR 290 Cb -0.18 -1.09 -0.25 0.00 -1.51 0.00 0.00 72.50 69.46 2wr4 s THR 290 CO -0.14 -0.45 0.65 0.41 -2.21 0.00 0.00 174.62 172.88 2wr4 n THR 291 N 0.25 0.12 -1.90 5.08 -1.04 -1.26 -5.01 114.28 110.52 2wr4 n THR 291 Ca -0.17 -0.45 -0.36 0.00 -2.04 0.00 0.00 64.05 61.03 2wr4 n THR 291 Cb 0.61 0.04 0.05 0.00 -1.82 0.00 0.00 70.33 69.20 2wr4 n THR 291 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2wr4 s LEU 292 N -4.50 3.60 0.01 -4.42 1.43 -1.26 -4.93 118.68 108.60 2wr4 s LEU 292 Ca -0.05 2.40 0.26 0.00 -1.03 0.00 0.00 54.13 55.72 2wr4 s LEU 292 Cb 0.13 -4.60 0.77 0.00 0.03 0.00 0.00 46.19 42.53 2wr4 s LEU 292 CO 0.88 -1.73 1.61 -2.65 0.23 0.00 0.00 176.35 174.68 2wr4 n PRO 293 N -1.80 0.02 -4.09 1.29 -0.02 -1.26 -4.63 135.00 124.50 2wr4 n PRO 293 Ca 0.14 0.01 -0.10 0.00 -2.02 0.00 0.00 63.50 61.53 2wr4 n PRO 293 Cb 0.50 -1.51 -0.10 0.00 -0.02 0.00 0.00 33.50 32.36 2wr4 n PRO 293 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2wr4 s PHE 294 N -3.01 0.63 0.19 6.00 0.08 -1.24 -1.13 117.98 119.50 2wr4 s PHE 294 Ca 0.12 -0.82 -0.14 0.00 0.12 0.00 0.00 56.93 56.21 2wr4 s PHE 294 Cb 0.18 -0.40 0.01 0.00 -0.57 0.00 0.00 43.02 42.24 2wr4 s PHE 294 CO 0.64 -0.21 0.44 -3.38 -0.10 0.00 0.00 175.22 172.61 2wr4 s HIS 295 N -2.92 0.10 -0.04 0.36 -3.43 -0.53 -0.52 115.29 108.31 2wr4 s HIS 295 Ca 0.02 -0.45 0.07 0.00 -0.80 0.00 0.00 55.06 53.90 2wr4 s HIS 295 Cb 0.01 0.23 0.12 0.00 -1.43 0.00 0.00 32.58 31.51 2wr4 s HIS 295 CO -0.05 -0.87 1.06 0.27 -2.00 0.00 0.00 174.74 173.16 2wr4 n ASN 296 N -0.30 0.79 0.14 7.38 0.23 -1.06 -1.65 115.26 120.78 2wr4 n ASN 296 Ca -0.08 -2.37 -0.14 0.00 -0.53 0.00 0.00 54.58 51.46 2wr4 n ASN 296 Cb 0.62 -0.28 -0.08 0.00 -2.08 0.00 0.00 39.78 37.97 2wr4 n ASN 296 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 2wr4 h ILE 297 N 4.79 0.79 -1.31 1.53 5.03 -1.88 -3.47 117.51 122.98 2wr4 h ILE 297 Ca -0.01 0.00 0.14 0.00 -0.12 0.00 0.00 64.86 64.86 2wr4 h ILE 297 Cb 1.30 0.79 -0.30 0.00 -3.03 0.00 0.00 36.82 35.58 2wr4 h ILE 297 CO 0.01 0.00 0.66 -2.28 -0.68 0.00 0.00 178.15 175.85 2wr4 s HIS 298 N -6.15 -0.27 0.31 1.37 5.04 -1.26 -5.02 115.29 109.31 2wr4 s HIS 298 Ca -0.14 0.62 0.03 0.00 -1.54 0.00 0.00 55.06 54.03 2wr4 s HIS 298 Cb 0.05 0.38 0.51 0.00 0.04 0.00 0.00 32.58 33.56 2wr4 s HIS 298 CO 0.65 -0.13 1.81 -1.35 -2.34 0.00 0.00 174.74 173.38 2wr4 h PRO 299 N 4.08 0.53 -4.18 2.88 0.11 -1.98 -3.39 132.00 130.04 2wr4 h PRO 299 Ca -0.28 -0.14 -0.76 0.00 0.11 0.00 0.00 66.00 64.93 2wr4 h PRO 299 Cb 1.18 -0.06 -0.21 0.00 0.11 0.00 0.00 31.00 32.02 2wr4 h PRO 299 CO 0.16 0.62 1.11 1.28 -0.21 0.00 0.00 178.00 180.96 2wr4 n LEU 300 N -4.22 5.50 -4.90 2.35 4.77 -1.26 -4.86 117.00 114.38 2wr4 n LEU 300 Ca 0.01 -4.70 -0.21 0.00 -0.03 0.00 0.00 56.01 51.08 2wr4 n LEU 300 Cb 0.31 -1.55 -0.03 0.00 -2.33 0.00 0.00 43.42 39.82 2wr4 n LEU 300 CO 0.40 1.03 -0.06 0.42 -1.33 0.00 0.00 177.39 177.84 2wr4 s THR 301 N 0.35 4.26 -0.03 -5.08 -4.23 -1.26 -4.22 115.64 105.42 2wr4 s THR 301 Ca 0.38 -1.22 0.01 0.00 -1.18 0.00 0.00 61.69 59.68 2wr4 s THR 301 Cb -0.04 -3.43 0.02 0.00 1.34 0.00 0.00 72.50 70.39 2wr4 s THR 301 CO -0.02 -0.25 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.16 2wr4 s ILE 302 N -2.16 0.29 -2.35 2.99 1.01 -0.30 -4.17 121.20 116.50 2wr4 s ILE 302 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 61.03 2wr4 s ILE 302 Cb -0.08 -0.35 0.00 0.00 0.01 0.00 0.00 42.46 42.04 2wr4 s ILE 302 CO 0.28 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.98 2wr4 n GLY 303 N 3.96 0.63 3.27 6.18 0.00 -0.93 -0.85 105.19 117.45 2wr4 n GLY 303 Ca -0.25 -1.98 -0.44 0.00 0.00 0.00 0.00 46.02 43.35 2wr4 n GLY 303 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wr4 s GLU 304 N -0.94 2.85 0.25 1.61 2.02 0.30 -1.85 118.70 122.94 2wr4 s GLU 304 Ca 0.00 -1.79 0.10 0.00 0.02 0.00 0.00 54.97 53.30 2wr4 s GLU 304 Cb 0.00 -4.17 -0.05 0.00 0.10 0.00 0.00 34.13 30.01 2wr4 s GLU 304 CO 0.00 -1.28 -0.10 0.00 0.02 0.00 0.00 175.26 173.90 2wr4 s PRO 306 N -3.40 1.43 0.05 0.00 0.02 -1.26 -4.82 135.00 127.01 2wr4 s PRO 306 Ca 0.29 1.32 -0.31 0.00 0.02 0.00 0.00 61.00 62.32 2wr4 s PRO 306 Cb -0.06 -1.79 -0.06 0.00 0.02 0.00 0.00 34.50 32.60 2wr4 s PRO 306 CO 0.17 -2.27 1.35 0.15 -0.33 0.00 0.00 177.00 176.07 2wr4 s LYS 307 N -4.76 4.32 0.27 5.54 -0.14 -0.29 -4.68 119.74 120.01 2wr4 s LYS 307 Ca 0.64 1.95 -0.30 0.00 -1.36 0.00 0.00 55.97 56.91 2wr4 s LYS 307 Cb -0.20 -3.43 -0.09 0.00 -1.68 0.00 0.00 37.83 32.43 2wr4 s LYS 307 CO 0.57 -0.47 1.04 -0.47 -0.76 0.00 0.00 175.35 175.26 2wr4 s TYR 308 N 1.73 3.73 -0.02 3.18 5.04 -1.26 -1.45 117.35 128.31 2wr4 s TYR 308 Ca 0.63 1.78 -0.04 0.00 -2.44 0.00 0.00 57.07 57.00 2wr4 s TYR 308 Cb -0.32 -3.17 0.00 0.00 0.35 0.00 0.00 41.96 38.82 2wr4 s TYR 308 CO 0.28 -0.16 0.09 0.08 -1.34 0.00 0.00 175.55 174.50 2wr4 s VAL 309 N -1.18 0.04 -0.06 3.14 1.01 -0.66 -4.78 120.40 117.91 2wr4 s VAL 309 Ca 0.43 -0.32 0.29 0.00 0.00 0.00 0.00 61.98 62.38 2wr4 s VAL 309 Cb -0.30 -0.24 0.34 0.00 0.00 0.00 0.00 36.38 36.19 2wr4 s VAL 309 CO 0.37 -0.18 1.83 0.11 0.00 0.00 0.00 175.10 177.24 2wr4 h LYS 310 N 5.33 0.00 -6.84 2.72 1.57 -1.88 -3.41 116.57 114.06 2wr4 h LYS 310 Ca -0.27 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.96 2wr4 h LYS 310 Cb 1.20 0.00 0.19 0.00 0.08 0.00 0.00 32.23 33.70 2wr4 h LYS 310 CO 0.43 0.05 -0.23 0.45 -0.57 0.00 0.00 179.45 179.57 2wr4 n SER 311 N -3.14 -0.78 -0.18 0.86 2.88 -1.26 -4.97 113.62 107.04 2wr4 n SER 311 Ca 0.02 0.53 0.05 0.00 -1.33 0.00 0.00 58.87 58.13 2wr4 n SER 311 Cb 0.40 -1.30 0.07 0.00 -0.75 0.00 0.00 64.21 62.63 2wr4 n SER 311 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2wr4 n ASP 312 N -1.36 1.40 -3.62 -3.46 5.68 -1.26 -4.76 116.55 109.15 2wr4 n ASP 312 Ca 0.10 -2.41 -0.03 0.00 -0.50 0.00 0.00 54.79 51.94 2wr4 n ASP 312 Cb 0.51 -0.26 -0.05 0.00 -1.14 0.00 0.00 41.12 40.18 2wr4 n ASP 312 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2wr4 s ARG 313 N -1.49 0.59 -0.41 0.11 0.52 -1.26 -5.10 118.95 111.91 2wr4 s ARG 313 Ca 0.15 1.23 0.02 0.00 -0.52 0.00 0.00 55.73 56.61 2wr4 s ARG 313 Cb 0.13 0.47 0.15 0.00 0.52 0.00 0.00 34.95 36.22 2wr4 s ARG 313 CO 0.01 -0.16 0.27 -0.51 0.02 0.00 0.00 175.30 174.93 2wr4 s LEU 314 N 2.21 1.75 -0.29 2.53 1.43 -1.26 -5.02 118.68 120.03 2wr4 s LEU 314 Ca -0.08 -2.61 -0.09 0.00 -1.03 0.00 0.00 54.13 50.32 2wr4 s LEU 314 Cb -0.08 -0.64 -0.02 0.00 0.03 0.00 0.00 46.19 45.48 2wr4 s LEU 314 CO -0.19 -0.25 0.13 -0.69 0.23 0.00 0.00 176.35 175.58 2wr4 s VAL 315 N 0.49 4.57 0.12 -1.59 1.01 -1.26 -0.66 120.40 123.08 2wr4 s VAL 315 Ca 0.22 -0.30 -0.27 0.00 0.00 0.00 0.00 61.98 61.63 2wr4 s VAL 315 Cb -0.16 -3.26 -0.07 0.00 0.00 0.00 0.00 36.38 32.89 2wr4 s VAL 315 CO -0.05 0.16 0.83 -0.76 0.00 0.00 0.00 175.10 175.27 2wr4 s LEU 316 N 1.62 4.53 0.23 3.92 1.02 -0.17 -4.67 118.68 125.16 2wr4 s LEU 316 Ca 0.05 1.64 -0.30 0.00 0.02 0.00 0.00 54.13 55.55 2wr4 s LEU 316 Cb -0.16 -3.37 -0.09 0.00 0.02 0.00 0.00 46.19 42.59 2wr4 s LEU 316 CO 0.06 0.08 1.02 0.00 0.02 0.00 0.00 176.35 177.53 2wr4 s ALA 317 N -0.55 3.36 -0.02 4.21 0.00 -1.26 -1.40 121.76 126.10 2wr4 s ALA 317 Ca 0.39 0.74 -0.00 0.00 0.00 0.00 0.00 51.96 53.09 2wr4 s ALA 317 Cb -0.23 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 2wr4 s ALA 317 CO 0.26 -0.01 -0.02 0.25 0.00 0.00 0.00 175.76 176.25 2wr4 n THR 318 N 1.70 0.12 0.00 0.00 -2.24 0.19 -4.89 114.28 109.16 2wr4 n THR 318 Ca -0.00 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2wr4 n THR 318 Cb 0.46 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 2wr4 n THR 318 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr4 n GLY 319 N 3.17 -1.53 3.72 3.38 0.00 0.89 -4.90 105.19 109.91 2wr4 n GLY 319 Ca -0.04 -1.47 -0.28 0.00 0.00 0.00 0.00 46.02 44.23 2wr4 n GLY 319 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2wr4 s LEU 320 N 0.00 2.76 0.22 0.99 0.05 -1.26 -4.73 118.68 116.70 2wr4 s LEU 320 Ca 0.00 -1.37 -0.32 0.00 0.05 0.00 0.00 54.13 52.49 2wr4 s LEU 320 Cb 0.00 -1.01 -0.14 0.00 -2.05 0.00 0.00 46.19 42.99 2wr4 s LEU 320 CO 0.00 -0.64 1.44 -1.14 -0.55 0.00 0.00 176.35 175.46 2wr4 n ARG 321 N -1.19 2.04 -3.44 1.48 0.63 -1.26 -0.54 116.66 114.39 2wr4 n ARG 321 Ca -0.08 0.73 -0.43 0.00 -0.92 0.00 0.00 57.85 57.15 2wr4 n ARG 321 Cb 0.66 -2.41 -0.07 0.00 0.45 0.00 0.00 32.46 31.09 2wr4 n ARG 321 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2wr4 s ASN 322 N 0.43 5.98 -0.10 6.15 2.47 -0.47 -4.74 114.94 124.66 2wr4 s ASN 322 Ca 0.71 -1.59 0.02 0.00 0.42 0.00 0.00 52.86 52.42 2wr4 s ASN 322 Cb -0.66 -2.12 -0.01 0.00 -1.45 0.00 0.00 41.25 37.00 2wr4 s ASN 322 CO 0.47 -0.69 -0.17 0.68 -3.72 0.00 0.00 177.10 173.66 2wr4 s VAL 323 N 1.54 2.71 0.20 -5.21 -7.23 -1.26 -4.82 120.40 106.32 2wr4 s VAL 323 Ca 0.04 -0.80 0.00 0.00 -1.81 0.00 0.00 61.98 59.40 2wr4 s VAL 323 Cb -0.26 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.59 2wr4 s VAL 323 CO 0.03 0.55 0.63 -2.65 -0.31 0.00 0.00 175.10 173.35 2wr4 n PRO 324 N 3.23 0.01 0.00 4.82 -0.02 -1.26 -2.34 135.00 139.44 2wr4 n PRO 324 Ca -0.18 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2wr4 n PRO 324 Cb 0.53 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 2wr4 n PRO 324 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wr4 n GLY 330 N -1.11 3.88 0.25 -1.23 0.00 -1.26 -4.69 105.19 101.02 2wr4 n GLY 330 Ca 0.00 -0.41 0.11 0.00 0.00 0.00 0.00 46.02 45.71 2wr4 n GLY 330 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wr4 h LEU 331 N 0.00 0.00 -1.72 0.99 5.85 -1.93 -2.66 115.31 115.85 2wr4 h LEU 331 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2wr4 h LEU 331 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2wr4 h LEU 331 CO 0.00 0.17 0.00 0.49 -0.34 0.00 0.00 178.44 178.76 2wr4 n PHE 332 N -3.70 0.05 -0.96 1.25 3.01 -1.26 -4.99 117.46 110.86 2wr4 n PHE 332 Ca -0.02 -0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.41 2wr4 n PHE 332 Cb 0.29 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 2wr4 n PHE 332 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wr4 n GLY 333 N 0.91 0.66 0.00 1.37 0.00 -1.00 -4.90 105.19 102.23 2wr4 n GLY 333 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2wr4 n GLY 333 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr4 n ALA 334 N 1.00 0.00 -1.69 4.61 0.00 -1.26 -0.10 120.51 123.06 2wr4 n ALA 334 Ca 0.00 -0.14 -0.44 0.00 0.00 0.00 0.00 53.44 52.86 2wr4 n ALA 334 Cb 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.45 2wr4 n ALA 334 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2wr4 n ILE 335 N -2.10 0.10 -2.91 0.00 5.41 -1.26 0.19 119.36 118.79 2wr4 n ILE 335 Ca 0.00 -0.02 -0.18 0.00 1.00 0.00 0.00 62.75 63.55 2wr4 n ILE 335 Cb 0.00 -1.85 -0.00 0.00 -0.71 0.00 0.00 39.64 37.08 2wr4 n ILE 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wr4 n ALA 336 N 4.25 -0.93 -2.23 -1.39 0.00 -1.21 -4.50 120.51 114.51 2wr4 n ALA 336 Ca 0.17 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2wr4 n ALA 336 Cb 0.33 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.52 2wr4 n ALA 336 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wr4 n GLY 337 N -1.03 3.55 0.19 0.00 0.00 0.13 -4.80 105.19 103.23 2wr4 n GLY 337 Ca -0.08 -0.40 0.05 0.00 0.00 0.00 0.00 46.02 45.58 2wr4 n GLY 337 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2wr4 h PHE 338 N 0.00 0.00 -3.12 1.61 -5.15 -0.37 -3.17 116.94 106.75 2wr4 h PHE 338 Ca 0.00 0.00 -0.73 0.00 -0.20 0.00 0.00 57.97 57.04 2wr4 h PHE 338 Cb 0.00 0.00 -0.22 0.00 0.22 0.00 0.00 35.95 35.95 2wr4 h PHE 338 CO 0.00 0.38 0.30 0.42 -2.00 0.00 0.00 178.31 177.41 2wr4 s ILE 339 N -3.86 5.11 -0.30 0.88 1.01 -1.05 -4.17 121.20 118.82 2wr4 s ILE 339 Ca -0.01 -1.75 0.27 0.00 0.00 0.00 0.00 60.65 59.16 2wr4 s ILE 339 Cb 0.13 -4.56 0.30 0.00 0.01 0.00 0.00 42.46 38.33 2wr4 s ILE 339 CO 0.70 -1.19 1.80 1.05 0.00 0.00 0.00 174.94 177.30 2wr4 h GLU 340 N 8.54 0.00 -3.64 2.79 4.11 -1.78 -3.21 114.58 121.39 2wr4 h GLU 340 Ca -0.01 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.31 2wr4 h GLU 340 Cb 1.05 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.13 2wr4 h GLU 340 CO 0.97 0.00 -0.42 0.20 0.07 0.00 0.00 179.01 179.83 2wr4 s GLY 341 N -3.75 0.07 0.68 1.06 0.00 -1.26 -4.54 107.32 99.57 2wr4 s GLY 341 Ca 0.03 -0.37 -0.07 0.00 0.00 0.00 0.00 44.72 44.31 2wr4 s GLY 341 CO 0.45 -0.54 1.00 -0.32 0.00 0.00 0.00 173.10 173.69 2wr4 s GLY 342 N -2.18 1.65 -0.31 0.20 0.00 -0.99 -4.71 107.32 100.98 2wr4 s GLY 342 Ca -0.04 -0.76 -0.04 0.00 0.00 0.00 0.00 44.72 43.88 2wr4 s GLY 342 CO -0.05 -0.39 0.04 -0.98 0.00 0.00 0.00 173.10 171.72 2wr4 s TRP 343 N -3.21 3.22 0.42 1.90 0.51 0.00 -4.81 118.94 116.97 2wr4 s TRP 343 Ca 0.58 -1.57 0.17 0.00 -2.12 0.00 0.00 56.10 53.16 2wr4 s TRP 343 Cb -0.11 -2.18 1.07 0.00 -0.81 0.00 0.00 33.47 31.44 2wr4 s TRP 343 CO 0.46 -0.74 1.88 1.96 -0.51 0.00 0.00 176.95 180.00 2wr4 h GLN 344 N 8.11 0.40 -0.38 4.98 1.08 -1.88 -2.89 115.11 124.52 2wr4 h GLN 344 Ca -0.24 -0.02 -0.16 0.00 -1.45 0.00 0.00 58.65 56.77 2wr4 h GLN 344 Cb 1.08 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.42 2wr4 h GLN 344 CO 0.57 0.27 -0.37 0.78 -0.95 0.00 0.00 178.83 179.12 2wr4 h GLY 345 N 0.41 1.01 -6.42 3.46 0.00 -1.93 -3.41 103.07 96.19 2wr4 h GLY 345 Ca 0.43 -1.03 -0.57 0.00 0.00 0.00 0.00 47.33 46.17 2wr4 h GLY 345 CO -0.16 0.93 1.09 -0.29 0.00 0.00 0.00 176.54 178.12 2wr4 s MET 346 N -4.40 3.67 -0.05 4.80 -2.45 -1.19 -4.83 119.30 114.85 2wr4 s MET 346 Ca -0.11 1.27 0.07 0.00 -1.25 0.00 0.00 55.69 55.67 2wr4 s MET 346 Cb 0.11 -4.02 0.11 0.00 1.25 0.00 0.00 34.83 32.28 2wr4 s MET 346 CO 0.88 -1.44 0.99 1.33 1.05 0.00 0.00 175.02 177.83 2wr4 n VAL 347 N 6.77 1.01 -1.03 10.11 0.24 -1.26 -4.62 118.33 129.54 2wr4 n VAL 347 Ca 0.18 -1.15 0.04 0.00 -2.04 0.00 0.00 64.34 61.36 2wr4 n VAL 347 Cb 0.47 0.28 0.06 0.00 -1.47 0.00 0.00 33.84 33.17 2wr4 n VAL 347 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2wr4 n ASP 348 N -0.70 1.40 -3.71 -1.34 5.75 -1.26 -5.09 116.55 111.60 2wr4 n ASP 348 Ca 0.06 -2.30 0.03 0.00 -0.01 0.00 0.00 54.79 52.58 2wr4 n ASP 348 Cb 0.53 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 2wr4 n ASP 348 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2wr4 s GLY 349 N -1.62 -0.37 -0.07 6.12 0.00 -1.26 -4.92 107.32 105.20 2wr4 s GLY 349 Ca 0.13 0.60 -0.01 0.00 0.00 0.00 0.00 44.72 45.44 2wr4 s GLY 349 CO 0.01 2.47 0.56 1.49 0.00 0.00 0.00 173.10 177.63 2wr4 h TRP 350 N 2.00 0.37 -3.99 1.90 6.55 -1.90 -3.40 115.95 117.47 2wr4 h TRP 350 Ca -0.28 -0.27 -0.47 0.00 0.95 0.00 0.00 58.89 58.82 2wr4 h TRP 350 Cb 1.19 -0.01 -0.23 0.00 -0.86 0.00 0.00 29.16 29.24 2wr4 h TRP 350 CO 0.71 1.49 -0.80 0.71 -1.05 0.00 0.00 178.44 179.51 2wr4 s TYR 351 N -2.58 1.41 0.00 0.49 1.51 -1.26 0.11 117.35 117.02 2wr4 s TYR 351 Ca -0.15 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.50 2wr4 s TYR 351 Cb 0.07 -0.81 0.00 0.00 -0.11 0.00 0.00 41.96 41.11 2wr4 s TYR 351 CO 0.81 0.09 0.00 0.41 -1.11 0.00 0.00 175.55 175.74 2wr4 n GLY 352 N 1.48 0.97 3.46 0.71 0.00 0.19 -1.02 105.19 110.98 2wr4 n GLY 352 Ca -0.19 -0.85 -0.27 0.00 0.00 0.00 0.00 46.02 44.70 2wr4 n GLY 352 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wr4 s TYR 353 N -4.21 2.39 -0.23 1.61 1.51 -1.07 -0.24 117.35 117.10 2wr4 s TYR 353 Ca 0.00 -0.33 -0.02 0.00 -1.01 0.00 0.00 57.07 55.71 2wr4 s TYR 353 Cb 0.00 -1.19 0.07 0.00 -0.11 0.00 0.00 41.96 40.73 2wr4 s TYR 353 CO 0.00 0.48 0.05 -1.58 -1.11 0.00 0.00 175.55 173.39 2wr4 s HIS 354 N -1.60 1.31 0.06 2.71 2.46 -0.21 -1.49 115.29 118.54 2wr4 s HIS 354 Ca 0.21 -1.18 0.00 0.00 0.47 0.00 0.00 55.06 54.56 2wr4 s HIS 354 Cb -0.08 -1.26 -0.04 0.00 -0.13 0.00 0.00 32.58 31.07 2wr4 s HIS 354 CO 0.11 -0.71 0.20 -3.38 -2.47 0.00 0.00 174.74 168.49 2wr4 s HIS 355 N 1.76 3.50 -0.18 3.88 -3.43 -0.42 -1.68 115.29 118.72 2wr4 s HIS 355 Ca 0.02 0.24 -0.01 0.00 -0.80 0.00 0.00 55.06 54.51 2wr4 s HIS 355 Cb -0.17 -1.75 0.00 0.00 -1.43 0.00 0.00 32.58 29.23 2wr4 s HIS 355 CO -0.14 0.59 -0.14 -1.12 -2.00 0.00 0.00 174.74 171.93 2wr4 s SER 356 N -2.50 3.66 0.16 7.38 0.01 -0.06 -4.19 113.70 118.16 2wr4 s SER 356 Ca 0.35 -0.50 -0.01 0.00 1.31 0.00 0.00 55.95 57.09 2wr4 s SER 356 Cb -0.13 -1.58 -0.04 0.00 0.21 0.00 0.00 66.02 64.48 2wr4 s SER 356 CO 0.28 0.03 0.09 0.21 0.41 0.00 0.00 173.24 174.26 2wr4 s ASN 357 N 1.13 0.23 0.51 2.44 2.47 -0.73 -2.82 114.94 118.17 2wr4 s ASN 357 Ca 0.01 -1.28 0.27 0.00 0.42 0.00 0.00 52.86 52.27 2wr4 s ASN 357 Cb -0.14 0.34 1.38 0.00 -1.45 0.00 0.00 41.25 41.37 2wr4 s ASN 357 CO -0.05 -0.78 2.04 0.44 -3.72 0.00 0.00 177.10 175.03 2wr4 h ASP 358 N 2.75 0.00 0.13 -4.21 3.32 -1.98 -3.19 116.42 113.23 2wr4 h ASP 358 Ca -0.35 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.42 2wr4 h ASP 358 Cb 1.22 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.77 2wr4 h ASP 358 CO 0.56 0.13 -1.41 1.56 -1.72 0.00 0.00 179.24 178.37 2wr4 h GLN 359 N 0.00 0.26 0.00 3.56 7.50 -1.96 -3.51 115.11 120.97 2wr4 h GLN 359 Ca -0.00 -0.45 0.00 0.00 0.50 0.00 0.00 58.65 58.70 2wr4 h GLN 359 Cb 0.39 0.17 0.00 0.00 0.05 0.00 0.00 27.48 28.09 2wr4 h GLN 359 CO 0.02 1.22 0.00 0.41 -1.50 0.00 0.00 178.83 178.97 2wr4 n GLY 360 N 1.75 -0.88 0.00 3.46 0.00 -1.21 -5.18 105.19 103.14 2wr4 n GLY 360 Ca -0.24 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2wr4 n GLY 360 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wr4 n SER 361 N 0.00 0.00 0.00 1.61 3.41 -1.26 -1.78 113.62 115.60 2wr4 n SER 361 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2wr4 n SER 361 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2wr4 n SER 361 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wr4 n GLY 362 N -0.33 0.06 3.59 5.00 0.00 -1.26 -5.04 105.19 107.22 2wr4 n GLY 362 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2wr4 n GLY 362 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wr4 s TYR 363 N 0.00 2.94 -0.32 1.61 1.51 -1.26 -1.31 117.35 120.52 2wr4 s TYR 363 Ca 0.00 0.65 -0.02 0.00 -1.01 0.00 0.00 57.07 56.69 2wr4 s TYR 363 Cb 0.00 -4.05 0.11 0.00 -0.11 0.00 0.00 41.96 37.91 2wr4 s TYR 363 CO 0.00 -1.08 0.13 0.00 -1.11 0.00 0.00 175.55 173.50 2wr4 s ALA 364 N 3.94 1.17 0.54 3.71 0.00 -0.55 -5.01 121.76 125.55 2wr4 s ALA 364 Ca 0.42 -1.55 -0.22 0.00 0.00 0.00 0.00 51.96 50.61 2wr4 s ALA 364 Cb -0.10 -1.55 -0.06 0.00 0.00 0.00 0.00 23.12 21.42 2wr4 s ALA 364 CO 0.26 -1.74 1.30 0.00 0.00 0.00 0.00 175.76 175.57 2wr4 n ALA 365 N 4.80 1.36 -2.64 0.00 0.00 -1.26 -2.60 120.51 120.17 2wr4 n ALA 365 Ca -0.01 0.13 -0.43 0.00 0.00 0.00 0.00 53.44 53.13 2wr4 n ALA 365 Cb 0.41 -2.31 -0.05 0.00 0.00 0.00 0.00 19.45 17.50 2wr4 n ALA 365 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2wr4 s ASP 366 N -0.91 6.35 0.13 0.00 3.68 -0.19 -4.86 116.67 120.87 2wr4 s ASP 366 Ca 0.71 -0.34 0.02 0.00 2.13 0.00 0.00 52.55 55.07 2wr4 s ASP 366 Cb -0.43 -2.41 -0.14 0.00 -1.45 0.00 0.00 42.92 38.48 2wr4 s ASP 366 CO 0.50 -1.13 1.28 0.07 0.13 0.00 0.00 175.17 176.03 2wr4 h LYS 367 N 9.21 0.15 -0.21 4.34 5.09 -1.92 -2.96 116.57 130.27 2wr4 h LYS 367 Ca -0.26 -0.21 0.01 0.00 0.09 0.00 0.00 60.65 60.27 2wr4 h LYS 367 Cb 1.08 0.07 -0.01 0.00 0.10 0.00 0.00 32.23 33.47 2wr4 h LYS 367 CO 1.05 1.04 0.13 1.49 -2.09 0.00 0.00 179.45 181.07 2wr4 h GLU 368 N 0.06 0.26 0.00 0.07 4.22 -1.96 -2.62 114.58 114.61 2wr4 h GLU 368 Ca -0.06 -0.02 -0.20 0.00 0.08 0.00 0.00 59.36 59.17 2wr4 h GLU 368 Cb 1.71 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.87 2wr4 h GLU 368 CO 0.15 0.17 -1.25 0.66 -2.18 0.00 0.00 179.01 176.56 2wr4 h SER 369 N 0.27 0.00 0.06 1.04 4.64 -1.95 -3.29 113.55 114.31 2wr4 h SER 369 Ca 0.08 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.32 2wr4 h SER 369 Cb -0.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 2wr4 h SER 369 CO -0.03 0.76 -0.23 0.74 -0.87 0.00 0.00 176.83 177.21 2wr4 h THR 370 N 0.00 1.24 -0.20 2.95 2.02 -1.45 -2.59 112.91 114.88 2wr4 h THR 370 Ca -0.14 -1.10 -0.17 0.00 0.77 0.00 0.00 66.41 65.77 2wr4 h THR 370 Cb 1.70 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 69.48 2wr4 h THR 370 CO 0.07 0.34 -0.55 -0.61 0.37 0.00 0.00 175.52 175.14 2wr4 h GLN 371 N 0.27 0.73 -0.46 6.66 5.75 -1.57 -1.54 115.11 124.95 2wr4 h GLN 371 Ca 0.04 -0.52 0.09 0.00 -0.15 0.00 0.00 58.65 58.12 2wr4 h GLN 371 Cb 0.56 0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.17 2wr4 h GLN 371 CO 0.04 1.14 0.31 -0.22 -2.65 0.00 0.00 178.83 177.45 2wr4 h LYS 372 N 0.44 0.23 0.08 1.69 3.11 -1.54 0.49 116.57 121.07 2wr4 h LYS 372 Ca -0.01 -0.01 -0.15 0.00 -2.81 0.00 0.00 60.65 57.67 2wr4 h LYS 372 Cb 1.17 -0.05 0.01 0.00 -1.00 0.00 0.00 32.23 32.36 2wr4 h LYS 372 CO 0.12 0.15 -0.70 0.00 -2.81 0.00 0.00 179.45 176.21 2wr4 h ALA 373 N 1.77 0.01 -0.80 5.00 0.00 -1.35 -2.56 119.26 121.33 2wr4 h ALA 373 Ca 0.21 -0.75 0.16 0.00 0.00 0.00 0.00 54.91 54.54 2wr4 h ALA 373 Cb 0.53 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.40 2wr4 h ALA 373 CO -0.04 0.36 0.32 0.27 0.00 0.00 0.00 179.25 180.17 2wr4 h PHE 374 N -0.62 0.55 0.10 0.00 -0.00 -0.89 0.11 116.94 116.19 2wr4 h PHE 374 Ca -0.14 0.04 -0.00 0.00 -0.00 0.00 0.00 57.97 57.86 2wr4 h PHE 374 Cb 1.43 -0.12 0.00 0.00 -0.00 0.00 0.00 35.95 37.26 2wr4 h PHE 374 CO 0.20 0.03 -0.05 -0.44 -0.00 0.00 0.00 178.31 178.06 2wr4 h ASP 375 N 0.43 -0.11 0.12 -0.68 5.19 -0.98 -0.87 116.42 119.51 2wr4 h ASP 375 Ca 0.46 -0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.77 2wr4 h ASP 375 Cb 0.75 0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.29 2wr4 h ASP 375 CO -0.45 0.02 -0.06 1.23 -3.12 0.00 0.00 179.24 176.87 2wr4 h GLY 376 N -0.24 -0.17 1.54 2.75 0.00 -0.95 0.12 103.07 106.13 2wr4 h GLY 376 Ca -0.01 0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.31 2wr4 h GLY 376 CO 0.02 -0.06 -0.06 -2.22 0.00 0.00 0.00 176.54 174.22 2wr4 h ILE 377 N -0.26 1.22 -0.08 2.60 5.03 -0.85 0.26 117.51 125.43 2wr4 h ILE 377 Ca -0.02 -0.94 0.01 0.00 -0.12 0.00 0.00 64.86 63.79 2wr4 h ILE 377 Cb 0.21 1.03 -0.01 0.00 -3.03 0.00 0.00 36.82 35.02 2wr4 h ILE 377 CO 0.03 0.32 -0.01 0.74 -0.68 0.00 0.00 178.15 178.55 2wr4 h THR 378 N 0.53 0.94 -0.45 -0.27 2.02 -0.95 -2.18 112.91 112.54 2wr4 h THR 378 Ca 0.10 -0.01 -0.07 0.00 0.77 0.00 0.00 66.41 67.21 2wr4 h THR 378 Cb 0.43 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 2wr4 h THR 378 CO 0.02 0.00 0.01 -1.13 0.37 0.00 0.00 175.52 174.80 2wr4 h ASN 379 N 0.02 0.70 0.18 4.18 -0.73 0.41 -1.69 115.58 118.65 2wr4 h ASN 379 Ca 0.04 -0.16 -0.01 0.00 1.87 0.00 0.00 56.30 58.04 2wr4 h ASN 379 Cb 0.05 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 38.45 2wr4 h ASN 379 CO -0.07 0.76 -0.09 0.50 -0.37 0.00 0.00 177.43 178.16 2wr4 h LYS 380 N 0.69 -0.23 -0.68 6.67 3.64 -0.40 -0.77 116.57 125.48 2wr4 h LYS 380 Ca 0.14 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.57 2wr4 h LYS 380 Cb 0.41 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.24 2wr4 h LYS 380 CO 0.02 -0.12 0.42 0.28 -2.27 0.00 0.00 179.45 177.77 2wr4 h VAL 381 N -0.29 1.06 -0.38 2.00 2.07 -1.15 -2.04 116.25 117.51 2wr4 h VAL 381 Ca -0.02 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 2wr4 h VAL 381 Cb 0.22 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 2wr4 h VAL 381 CO 0.04 0.15 0.03 0.78 0.02 0.00 0.00 177.57 178.59 2wr4 h ASN 382 N 0.80 0.55 0.08 0.57 2.35 -1.13 -2.42 115.58 116.39 2wr4 h ASN 382 Ca 0.28 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 2wr4 h ASN 382 Cb 0.06 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.29 2wr4 h ASN 382 CO -0.13 0.61 -0.04 0.28 -1.65 0.00 0.00 177.43 176.50 2wr4 h SER 383 N 0.57 -0.09 -0.92 5.81 0.02 -0.42 0.71 113.55 119.23 2wr4 h SER 383 Ca 0.12 -0.14 0.13 0.00 -0.84 0.00 0.00 61.79 61.06 2wr4 h SER 383 Cb 0.32 0.02 -0.09 0.00 0.14 0.00 0.00 62.40 62.80 2wr4 h SER 383 CO 0.01 0.09 0.54 0.58 -1.14 0.00 0.00 176.83 176.90 2wr4 h VAL 384 N -0.27 0.84 0.01 2.27 2.07 -1.37 -2.60 116.25 117.20 2wr4 h VAL 384 Ca -0.01 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 2wr4 h VAL 384 Cb 0.23 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 2wr4 h VAL 384 CO 0.02 0.15 -0.08 0.40 0.02 0.00 0.00 177.57 178.07 2wr4 h ILE 385 N 0.81 1.74 0.00 4.57 2.04 -1.13 -3.38 117.51 122.17 2wr4 h ILE 385 Ca 0.47 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 64.04 2wr4 h ILE 385 Cb 0.56 3.30 0.00 0.00 -0.74 0.00 0.00 36.82 39.93 2wr4 h ILE 385 CO -0.30 0.60 0.00 0.00 0.00 0.00 0.00 178.15 178.45 2wr4 n ALA 386 N -2.60 2.10 0.88 1.87 0.00 0.25 -2.93 120.51 120.08 2wr4 n ALA 386 Ca -0.10 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.37 2wr4 n ALA 386 Cb 0.50 -1.37 0.21 0.00 0.00 0.00 0.00 19.45 18.79 2wr4 n ALA 386 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wr4 n LYS 387 N -1.41 0.08 -2.34 0.00 4.76 -0.99 -4.89 118.16 113.37 2wr4 n LYS 387 Ca 0.08 0.02 -0.42 0.00 -2.87 0.00 0.00 58.31 55.11 2wr4 n LYS 387 Cb 0.23 -1.54 -0.03 0.00 -1.84 0.00 0.00 35.03 31.85 2wr4 n LYS 387 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 2wr4 s MET 388 N -3.05 4.29 -0.45 1.97 1.75 -1.15 -4.98 119.30 117.69 2wr4 s MET 388 Ca 0.09 1.80 -0.23 0.00 -1.25 0.00 0.00 55.69 56.11 2wr4 s MET 388 Cb 0.16 -3.63 0.03 0.00 2.84 0.00 0.00 34.83 34.23 2wr4 s MET 388 CO 0.71 -0.57 0.76 1.21 -0.65 0.00 0.00 175.02 176.48 2wr4 s ASN 389 N 1.84 6.39 -0.62 1.11 3.04 -1.26 -5.02 114.94 120.42 2wr4 s ASN 389 Ca 0.59 -0.15 -0.01 0.00 0.04 0.00 0.00 52.86 53.34 2wr4 s ASN 389 Cb -0.27 -2.37 0.16 0.00 -1.54 0.00 0.00 41.25 37.23 2wr4 s ASN 389 CO 0.22 -0.89 0.42 0.42 -3.04 0.00 0.00 177.10 174.24 2wr4 s THR 390 N 3.19 3.44 0.63 -5.21 -4.23 -1.26 -5.05 115.64 107.14 2wr4 s THR 390 Ca 0.28 -3.19 -0.03 0.00 -1.18 0.00 0.00 61.69 57.58 2wr4 s THR 390 Cb -0.13 -3.26 0.05 0.00 1.34 0.00 0.00 72.50 70.50 2wr4 s THR 390 CO 0.22 -0.88 0.90 0.00 -0.54 0.00 0.00 174.62 174.32 2wr4 s GLN 391 N -0.29 2.38 -0.05 3.99 -2.07 -1.26 -4.75 119.66 117.60 2wr4 s GLN 391 Ca 0.18 -0.49 -0.30 0.00 -1.82 0.00 0.00 55.36 52.93 2wr4 s GLN 391 Cb -0.20 -2.32 -0.03 0.00 -1.09 0.00 0.00 33.01 29.36 2wr4 s GLN 391 CO -0.04 -0.98 1.20 0.12 -1.32 0.00 0.00 175.29 174.27 2wr4 s PHE 392 N -3.01 3.20 0.06 9.60 5.36 -1.26 -4.35 117.98 127.58 2wr4 s PHE 392 Ca 0.59 1.23 -0.01 0.00 -0.96 0.00 0.00 56.93 57.77 2wr4 s PHE 392 Cb -0.11 -3.42 -0.04 0.00 -0.34 0.00 0.00 43.02 39.12 2wr4 s PHE 392 CO 0.42 -1.29 -0.01 -1.21 -1.46 0.00 0.00 175.22 171.68 2wr4 s GLU 393 N 2.19 0.67 -0.21 10.12 8.01 -0.77 -4.97 118.70 133.74 2wr4 s GLU 393 Ca 0.56 -1.24 0.01 0.00 0.01 0.00 0.00 54.97 54.30 2wr4 s GLU 393 Cb -0.25 0.22 -0.14 0.00 -4.31 0.00 0.00 34.13 29.66 2wr4 s GLU 393 CO 0.22 -0.14 -0.20 0.00 0.01 0.00 0.00 175.26 175.15 2wr4 n ALA 394 N 0.07 1.54 0.00 5.21 0.00 -1.26 -2.19 120.51 123.88 2wr4 n ALA 394 Ca -0.13 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.40 2wr4 n ALA 394 Cb 0.61 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.09 2wr4 n ALA 394 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wr4 n VAL 395 N -3.19 0.00 -1.72 0.00 0.31 -1.26 -4.24 118.33 108.24 2wr4 n VAL 395 Ca -0.38 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.52 2wr4 n VAL 395 Cb 0.90 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.81 2wr4 n VAL 395 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wr4 n GLY 396 N 0.00 0.95 3.40 2.92 0.00 -1.26 -5.00 105.19 106.19 2wr4 n GLY 396 Ca 0.00 0.41 -0.21 0.00 0.00 0.00 0.00 46.02 46.22 2wr4 n GLY 396 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wr4 s LYS 397 N -1.12 1.65 -0.04 1.61 -0.14 -1.26 -4.73 119.74 115.71 2wr4 s LYS 397 Ca 0.61 -1.95 0.04 0.00 -1.36 0.00 0.00 55.97 53.31 2wr4 s LYS 397 Cb -0.56 -0.42 -0.00 0.00 -1.68 0.00 0.00 37.83 35.17 2wr4 s LYS 397 CO 0.55 -0.37 -0.17 -1.21 -0.76 0.00 0.00 175.35 173.39 2wr4 s GLU 398 N -3.85 1.75 -0.01 1.68 0.41 -1.26 -5.10 118.70 112.32 2wr4 s GLU 398 Ca 0.33 -0.59 0.00 0.00 -0.41 0.00 0.00 54.97 54.31 2wr4 s GLU 398 Cb 0.06 -1.52 0.01 0.00 -1.78 0.00 0.00 34.13 30.90 2wr4 s GLU 398 CO 0.16 0.23 -0.00 -0.06 -0.49 0.00 0.00 175.26 175.09 2wr4 s PHE 399 N 0.07 0.17 1.06 1.61 0.08 -1.26 -4.97 117.98 114.74 2wr4 s PHE 399 Ca -0.04 0.02 -0.12 0.00 0.12 0.00 0.00 56.93 56.90 2wr4 s PHE 399 Cb -0.12 -0.23 0.22 0.00 -0.57 0.00 0.00 43.02 42.33 2wr4 s PHE 399 CO 0.02 -0.06 1.07 -1.54 -0.10 0.00 0.00 175.22 174.61 2wr4 s SER 400 N 0.54 2.01 0.00 1.36 1.04 -1.26 -4.88 113.70 112.50 2wr4 s SER 400 Ca -0.05 1.36 0.18 0.00 0.48 0.00 0.00 55.95 57.92 2wr4 s SER 400 Cb -0.07 -2.07 1.05 0.00 0.10 0.00 0.00 66.02 65.03 2wr4 s SER 400 CO -0.01 -3.54 1.47 -0.46 0.98 0.00 0.00 173.24 171.68 2wr4 n ASN 401 N -4.46 0.00 -0.55 7.02 6.94 -1.26 -1.74 115.26 121.21 2wr4 n ASN 401 Ca 0.05 -0.70 0.09 0.00 -0.02 0.00 0.00 54.58 54.00 2wr4 n ASN 401 Cb 0.56 0.00 0.21 0.00 -2.36 0.00 0.00 39.78 38.19 2wr4 n ASN 401 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2wr4 n LEU 402 N -0.94 3.24 -0.69 -4.53 4.77 -1.26 -4.46 117.00 113.13 2wr4 n LEU 402 Ca 0.13 -3.03 0.06 0.00 -0.03 0.00 0.00 56.01 53.14 2wr4 n LEU 402 Cb 0.06 -0.49 0.17 0.00 -2.33 0.00 0.00 43.42 40.83 2wr4 n LEU 402 CO 0.10 0.69 0.33 -0.62 -1.33 0.00 0.00 177.39 176.56 2wr4 n GLU 403 N -0.88 1.30 -0.28 3.23 1.02 -0.71 -4.83 120.64 119.49 2wr4 n GLU 403 Ca 0.19 -3.02 0.02 0.00 -0.02 0.00 0.00 57.16 54.33 2wr4 n GLU 403 Cb 0.78 -1.35 0.15 0.00 -0.02 0.00 0.00 31.44 31.00 2wr4 n GLU 403 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wr4 h ARG 404 N 0.90 0.74 -0.15 3.49 -0.00 -1.78 0.35 114.38 117.93 2wr4 h ARG 404 Ca -0.03 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.98 59.40 2wr4 h ARG 404 Cb 1.14 -0.17 -0.01 0.00 0.00 0.00 0.00 29.97 30.94 2wr4 h ARG 404 CO 0.01 0.49 0.08 0.00 0.00 0.00 0.00 179.97 180.55 2wr4 h ARG 405 N 0.77 0.22 -0.97 0.04 3.08 -1.96 0.14 114.38 115.69 2wr4 h ARG 405 Ca 0.38 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.43 2wr4 h ARG 405 Cb 0.32 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.27 2wr4 h ARG 405 CO -0.23 0.26 0.63 1.25 -1.07 0.00 0.00 179.97 180.81 2wr4 h LEU 406 N 0.13 1.05 -1.02 3.04 5.85 -1.79 0.24 115.31 122.81 2wr4 h LEU 406 Ca 0.05 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 2wr4 h LEU 406 Cb 0.11 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2wr4 h LEU 406 CO -0.01 0.71 -0.33 -0.08 -0.34 0.00 0.00 178.44 178.39 2wr4 h GLU 407 N 1.22 0.29 -0.05 1.25 4.81 -0.63 -1.86 114.58 119.60 2wr4 h GLU 407 Ca 0.39 -0.12 -0.18 0.00 -0.13 0.00 0.00 59.36 59.33 2wr4 h GLU 407 Cb 0.03 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2wr4 h GLU 407 CO -0.13 0.59 -0.74 -0.97 -0.73 0.00 0.00 179.01 177.03 2wr4 h ASN 408 N 0.25 0.34 -0.33 1.04 -0.00 0.47 -1.56 115.58 115.79 2wr4 h ASN 408 Ca 0.03 -0.23 -0.01 0.00 -0.00 0.00 0.00 56.30 56.09 2wr4 h ASN 408 Cb 0.71 -0.10 -0.02 0.00 -0.00 0.00 0.00 38.32 38.91 2wr4 h ASN 408 CO 0.05 0.96 0.16 0.25 -0.00 0.00 0.00 177.43 178.86 2wr4 h LEU 409 N 0.19 0.43 -0.88 0.34 6.46 -0.33 0.10 115.31 121.62 2wr4 h LEU 409 Ca -0.03 -0.12 -0.04 0.00 -0.12 0.00 0.00 57.88 57.57 2wr4 h LEU 409 Cb 1.31 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 41.10 2wr4 h LEU 409 CO 0.12 0.42 0.31 -1.13 -0.62 0.00 0.00 178.44 177.54 2wr4 h ASN 410 N 0.40 1.03 -0.47 1.25 -0.73 -1.18 -0.37 115.58 115.52 2wr4 h ASN 410 Ca 0.11 -0.15 -0.10 0.00 1.87 0.00 0.00 56.30 58.03 2wr4 h ASN 410 Cb 0.11 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.42 2wr4 h ASN 410 CO -0.02 0.91 -0.10 0.50 -0.37 0.00 0.00 177.43 178.35 2wr4 h LYS 411 N 1.10 0.90 -0.84 6.67 3.64 -1.06 -0.29 116.57 126.70 2wr4 h LYS 411 Ca 0.26 -0.34 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 2wr4 h LYS 411 Cb 0.20 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 2wr4 h LYS 411 CO -0.02 0.99 0.46 -0.22 -2.27 0.00 0.00 179.45 178.38 2wr4 h LYS 412 N 0.74 1.16 -0.07 1.90 1.63 -0.35 0.69 116.57 122.27 2wr4 h LYS 412 Ca 0.12 -0.13 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 2wr4 h LYS 412 Cb 0.65 -0.23 -0.00 0.00 -0.60 0.00 0.00 32.23 32.05 2wr4 h LYS 412 CO 0.04 0.85 0.00 1.98 -3.45 0.00 0.00 179.45 178.88 2wr4 h MET 413 N 1.17 0.13 -0.44 1.90 4.05 -0.79 -0.74 114.93 120.21 2wr4 h MET 413 Ca 0.30 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.61 2wr4 h MET 413 Cb 0.03 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.79 2wr4 h MET 413 CO -0.05 0.40 0.00 0.93 0.23 0.00 0.00 176.91 178.42 2wr4 h GLU 414 N -0.15 0.71 -0.29 0.39 4.39 -0.56 -2.27 114.58 116.79 2wr4 h GLU 414 Ca 0.02 -0.18 -0.12 0.00 0.34 0.00 0.00 59.36 59.42 2wr4 h GLU 414 Cb 0.34 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2wr4 h GLU 414 CO 0.00 0.72 -0.32 -0.44 -1.16 0.00 0.00 179.01 177.81 2wr4 h ASP 415 N 0.66 0.65 0.20 1.42 3.32 -0.85 -2.02 116.42 119.81 2wr4 h ASP 415 Ca 0.13 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 2wr4 h ASP 415 Cb 0.41 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 2wr4 h ASP 415 CO 0.02 0.93 -0.10 1.23 -1.72 0.00 0.00 179.24 179.59 2wr4 h GLY 416 N 1.01 -0.29 1.65 2.75 0.00 -0.58 -1.74 103.07 105.87 2wr4 h GLY 416 Ca 0.06 0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.46 2wr4 h GLY 416 CO 0.07 -0.11 -0.01 0.74 0.00 0.00 0.00 176.54 177.23 2wr4 h PHE 417 N -0.28 0.46 -0.55 5.60 0.05 -1.44 -2.47 116.94 118.30 2wr4 h PHE 417 Ca -0.02 -0.04 -0.01 0.00 3.82 0.00 0.00 57.97 61.72 2wr4 h PHE 417 Cb 0.22 -0.13 -0.03 0.00 2.00 0.00 0.00 35.95 38.01 2wr4 h PHE 417 CO -0.07 0.46 0.32 1.25 -0.18 0.00 0.00 178.31 180.09 2wr4 h LEU 418 N 0.43 0.67 -0.40 1.54 5.85 -1.08 -1.28 115.31 121.05 2wr4 h LEU 418 Ca 0.10 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 2wr4 h LEU 418 Cb 0.29 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 2wr4 h LEU 418 CO 0.01 0.55 0.05 0.44 -0.34 0.00 0.00 178.44 179.15 2wr4 h ASP 419 N 0.74 0.64 0.30 1.25 3.32 -1.09 -0.81 116.42 120.77 2wr4 h ASP 419 Ca 0.20 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 2wr4 h ASP 419 Cb 0.01 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.39 2wr4 h ASP 419 CO -0.03 0.75 -0.14 0.58 -1.72 0.00 0.00 179.24 178.67 2wr4 h VAL 420 N 0.51 0.72 -0.71 -1.35 2.07 -1.28 -0.82 116.25 115.39 2wr4 h VAL 420 Ca 0.12 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.49 2wr4 h VAL 420 Cb 0.39 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 2wr4 h VAL 420 CO 0.01 0.02 0.16 -0.50 0.02 0.00 0.00 177.57 177.28 2wr4 h TRP 421 N -0.44 1.20 0.41 1.57 4.06 -1.22 0.28 115.95 121.81 2wr4 h TRP 421 Ca -0.04 -0.15 -0.02 0.00 2.06 0.00 0.00 58.89 60.74 2wr4 h TRP 421 Cb 0.33 -0.34 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 2wr4 h TRP 421 CO -0.05 0.98 -0.20 1.15 -3.56 0.00 0.00 178.44 176.77 2wr4 h THR 422 N 1.08 0.60 -0.24 1.49 2.02 -1.07 -0.30 112.91 116.50 2wr4 h THR 422 Ca 0.22 -0.03 0.04 0.00 0.77 0.00 0.00 66.41 67.41 2wr4 h THR 422 Cb 0.39 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 2wr4 h THR 422 CO 0.00 0.01 0.01 0.22 0.37 0.00 0.00 175.52 176.13 2wr4 h TYR 423 N -0.57 -0.00 -0.18 3.16 3.20 -0.97 -0.24 116.97 121.37 2wr4 h TYR 423 Ca -0.06 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.73 2wr4 h TYR 423 Cb 0.43 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 2wr4 h TYR 423 CO -0.04 -0.03 -0.32 -0.91 -1.64 0.00 0.00 178.16 175.21 2wr4 h ASN 424 N 0.08 0.38 -0.07 -2.11 2.35 -0.85 -0.64 115.58 114.72 2wr4 h ASN 424 Ca 0.11 -0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 2wr4 h ASN 424 Cb 0.14 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 2wr4 h ASN 424 CO -0.18 0.69 -0.13 0.00 -1.65 0.00 0.00 177.43 176.16 2wr4 h ALA 425 N 1.34 0.12 -0.27 -0.83 0.00 -0.66 0.13 119.26 119.08 2wr4 h ALA 425 Ca 0.04 -0.33 0.05 0.00 0.00 0.00 0.00 54.91 54.67 2wr4 h ALA 425 Cb 0.73 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 2wr4 h ALA 425 CO 0.06 -0.00 -0.04 0.93 0.00 0.00 0.00 179.25 180.19 2wr4 h GLU 426 N -0.25 0.03 -0.37 0.00 4.39 -0.94 -1.37 114.58 116.06 2wr4 h GLU 426 Ca 0.00 -0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 2wr4 h GLU 426 Cb 0.70 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 2wr4 h GLU 426 CO 0.03 0.02 -0.29 -0.07 -1.16 0.00 0.00 179.01 177.54 2wr4 h LEU 427 N 0.03 0.83 -0.19 1.33 4.07 -1.10 -2.24 115.31 118.04 2wr4 h LEU 427 Ca 0.13 -0.33 0.03 0.00 0.08 0.00 0.00 57.88 57.79 2wr4 h LEU 427 Cb 0.19 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 41.67 2wr4 h LEU 427 CO -0.25 1.06 -0.01 0.25 -1.08 0.00 0.00 178.44 178.41 2wr4 h LEU 428 N 0.68 -0.08 0.01 1.67 5.85 -0.43 -0.70 115.31 122.31 2wr4 h LEU 428 Ca 0.08 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.86 2wr4 h LEU 428 Cb 0.82 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 2wr4 h LEU 428 CO 0.07 -0.02 -0.09 0.58 -0.34 0.00 0.00 178.44 178.65 2wr4 h VAL 429 N 0.05 0.79 -0.27 1.05 2.07 -1.20 -0.06 116.25 118.69 2wr4 h VAL 429 Ca 0.09 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.66 2wr4 h VAL 429 Cb 0.11 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 2wr4 h VAL 429 CO -0.16 0.00 -0.03 -0.07 0.02 0.00 0.00 177.57 177.33 2wr4 h LEU 430 N -0.16 -0.17 0.28 2.57 3.38 -1.18 -0.99 115.31 119.04 2wr4 h LEU 430 Ca 0.03 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2wr4 h LEU 430 Cb 0.19 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2wr4 h LEU 430 CO -0.08 -0.05 -0.13 0.24 0.09 0.00 0.00 178.44 178.51 2wr4 h MET 431 N 0.04 -0.36 0.00 1.13 2.86 -0.96 -2.39 114.93 115.25 2wr4 h MET 431 Ca 0.13 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 2wr4 h MET 431 Cb 0.19 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 2wr4 h MET 431 CO -0.25 -0.09 -0.10 0.93 1.06 0.00 0.00 176.91 178.46 2wr4 h GLU 432 N -0.60 0.00 -0.24 1.72 4.39 -0.98 -1.96 114.58 116.91 2wr4 h GLU 432 Ca -0.04 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.52 2wr4 h GLU 432 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2wr4 h GLU 432 CO 0.06 0.10 -0.41 -0.91 -1.16 0.00 0.00 179.01 176.68 2wr4 h ASN 433 N 0.00 0.77 -0.97 1.42 2.35 -1.08 -0.37 115.58 117.70 2wr4 h ASN 433 Ca -0.00 -0.53 0.05 0.00 -0.55 0.00 0.00 56.30 55.27 2wr4 h ASN 433 Cb 0.20 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 38.28 2wr4 h ASN 433 CO 0.01 1.16 0.63 -0.08 -1.65 0.00 0.00 177.43 177.50 2wr4 h GLU 434 N 0.41 1.14 0.00 0.81 4.81 -0.88 -1.96 114.58 118.93 2wr4 h GLU 434 Ca 0.02 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 2wr4 h GLU 434 Cb 1.01 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 30.13 2wr4 h GLU 434 CO 0.09 0.76 -0.14 0.00 -0.73 0.00 0.00 179.01 178.99 2wr4 h ARG 435 N 1.18 0.00 0.07 1.92 3.08 -1.23 -2.47 114.38 116.92 2wr4 h ARG 435 Ca 0.40 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 60.21 2wr4 h ARG 435 Cb 0.08 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.16 2wr4 h ARG 435 CO -0.14 0.14 -0.97 1.15 -1.07 0.00 0.00 179.97 179.09 2wr4 h THR 436 N 0.00 1.35 -0.45 2.04 2.02 -0.45 -2.01 112.91 115.41 2wr4 h THR 436 Ca -0.00 -2.32 -0.04 0.00 0.77 0.00 0.00 66.41 64.82 2wr4 h THR 436 Cb 1.05 2.67 -0.02 0.00 -1.74 0.00 0.00 68.15 70.11 2wr4 h THR 436 CO 0.02 0.69 0.13 -0.07 0.37 0.00 0.00 175.52 176.66 2wr4 h LEU 437 N 0.11 0.66 -1.53 2.58 3.38 -1.35 -1.85 115.31 117.31 2wr4 h LEU 437 Ca -0.14 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.56 2wr4 h LEU 437 Cb 1.67 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 2wr4 h LEU 437 CO 0.19 0.71 -0.24 0.44 0.09 0.00 0.00 178.44 179.63 2wr4 h ASP 438 N 0.59 0.00 0.31 -0.43 3.32 -1.50 -1.43 116.42 117.28 2wr4 h ASP 438 Ca 0.14 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 2wr4 h ASP 438 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2wr4 h ASP 438 CO -0.00 0.24 -0.15 0.15 -1.72 0.00 0.00 179.24 177.76 2wr4 h PHE 439 N 0.00 -0.38 -0.72 4.55 3.57 -0.84 -1.25 116.94 121.86 2wr4 h PHE 439 Ca -0.00 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.58 2wr4 h PHE 439 Cb 0.43 0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.22 2wr4 h PHE 439 CO 0.00 -0.10 0.37 0.45 -2.23 0.00 0.00 178.31 176.80 2wr4 h HIS 440 N -0.63 0.68 -0.54 0.41 3.86 -1.09 0.43 115.15 118.27 2wr4 h HIS 440 Ca -0.04 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2wr4 h HIS 440 Cb 0.45 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.70 2wr4 h HIS 440 CO -0.00 0.27 0.33 0.22 0.86 0.00 0.00 177.93 179.60 2wr4 h ASP 441 N 0.65 0.63 0.48 2.45 -0.00 -1.15 -2.05 116.42 117.44 2wr4 h ASP 441 Ca 0.35 -0.03 -0.22 0.00 -0.00 0.00 0.00 57.03 57.13 2wr4 h ASP 441 Cb 0.33 -0.16 -0.00 0.00 -0.00 0.00 0.00 39.33 39.50 2wr4 h ASP 441 CO -0.25 0.49 -0.94 -1.28 -0.00 0.00 0.00 179.24 177.26 2wr4 h SER 442 N 0.74 0.39 -0.64 2.28 0.87 -0.04 -1.86 113.55 115.28 2wr4 h SER 442 Ca 0.19 -0.32 -0.07 0.00 -1.23 0.00 0.00 61.79 60.36 2wr4 h SER 442 Cb -0.03 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 61.78 2wr4 h SER 442 CO -0.04 1.13 0.14 0.78 -0.53 0.00 0.00 176.83 178.32 2wr4 h ASN 443 N 0.16 1.00 0.51 6.23 2.35 -0.45 -1.64 115.58 123.75 2wr4 h ASN 443 Ca -0.07 -0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.44 2wr4 h ASN 443 Cb 1.58 -0.26 0.01 0.00 0.05 0.00 0.00 38.32 39.69 2wr4 h ASN 443 CO 0.15 0.98 -0.25 0.58 -1.65 0.00 0.00 177.43 177.24 2wr4 h VAL 444 N 1.00 0.21 -1.13 2.81 2.07 -1.36 -2.58 116.25 117.28 2wr4 h VAL 444 Ca 0.21 -0.49 0.35 0.00 0.82 0.00 0.00 66.70 67.59 2wr4 h VAL 444 Cb 0.38 0.31 -0.13 0.00 -1.52 0.00 0.00 31.29 30.34 2wr4 h VAL 444 CO 0.01 0.04 0.70 0.50 0.02 0.00 0.00 177.57 178.83 2wr4 h LYS 445 N -1.09 0.24 0.00 1.57 1.63 -1.32 0.26 116.57 117.87 2wr4 h LYS 445 Ca -0.07 -0.01 -0.19 0.00 -0.85 0.00 0.00 60.65 59.52 2wr4 h LYS 445 Cb 0.59 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.14 2wr4 h LYS 445 CO 0.12 0.16 -0.90 -0.91 -3.45 0.00 0.00 179.45 174.47 2wr4 h ASN 446 N 0.25 0.03 0.06 4.20 2.35 -1.30 -1.89 115.58 119.29 2wr4 h ASN 446 Ca 0.73 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 56.45 2wr4 h ASN 446 Cb 1.96 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 40.32 2wr4 h ASN 446 CO -0.46 0.91 -0.03 0.25 -1.65 0.00 0.00 177.43 176.45 2wr4 h LEU 447 N 0.01 -0.07 -1.16 1.61 5.85 -0.12 0.33 115.31 121.77 2wr4 h LEU 447 Ca -0.01 -0.22 0.14 0.00 0.84 0.00 0.00 57.88 58.63 2wr4 h LEU 447 Cb 1.59 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 42.56 2wr4 h LEU 447 CO 0.12 0.18 0.60 0.22 -0.34 0.00 0.00 178.44 179.22 2wr4 h TYR 448 N -0.33 0.97 -0.05 1.25 3.20 -1.20 -1.16 116.97 119.65 2wr4 h TYR 448 Ca -0.01 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.74 2wr4 h TYR 448 Cb 0.29 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 2wr4 h TYR 448 CO 0.01 0.35 -0.64 -0.44 -1.64 0.00 0.00 178.16 175.79 2wr4 h ASP 449 N 0.81 0.22 0.30 -2.11 3.32 -1.06 -1.32 116.42 116.58 2wr4 h ASP 449 Ca 0.48 -0.13 -0.13 0.00 0.02 0.00 0.00 57.03 57.27 2wr4 h ASP 449 Cb 0.66 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 2wr4 h ASP 449 CO -0.25 0.80 -0.52 0.50 -1.72 0.00 0.00 179.24 178.06 2wr4 h LYS 450 N 0.14 0.25 0.03 3.56 3.64 0.28 0.56 116.57 125.02 2wr4 h LYS 450 Ca -0.01 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2wr4 h LYS 450 Cb 1.16 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2wr4 h LYS 450 CO 0.10 0.71 -0.01 0.28 -2.27 0.00 0.00 179.45 178.25 2wr4 h VAL 451 N 0.19 1.41 -0.77 2.00 2.07 -1.37 -3.15 116.25 116.64 2wr4 h VAL 451 Ca 0.01 -1.80 0.13 0.00 0.82 0.00 0.00 66.70 65.86 2wr4 h VAL 451 Cb 0.98 2.54 -0.09 0.00 -1.52 0.00 0.00 31.29 33.21 2wr4 h VAL 451 CO 0.08 0.43 0.36 -0.09 0.02 0.00 0.00 177.57 178.37 2wr4 h ARG 452 N -0.87 0.53 0.00 1.57 2.43 -1.14 0.20 114.38 117.11 2wr4 h ARG 452 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2wr4 h ARG 452 Cb 0.73 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 2wr4 h ARG 452 CO 0.01 0.35 0.00 -1.33 -1.51 0.00 0.00 179.97 177.49 2wr4 n MET 453 N -4.92 0.41 -0.12 0.20 2.81 0.18 -2.20 117.12 113.47 2wr4 n MET 453 Ca 0.14 0.06 -0.17 0.00 -1.81 0.00 0.00 57.70 55.92 2wr4 n MET 453 Cb 0.38 -1.50 -0.13 0.00 -0.71 0.00 0.00 33.22 31.26 2wr4 n MET 453 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2wr4 n GLN 454 N -1.23 0.66 -0.08 0.03 7.27 0.59 -4.70 117.38 119.91 2wr4 n GLN 454 Ca 0.12 0.12 -0.13 0.00 0.07 0.00 0.00 57.00 57.18 2wr4 n GLN 454 Cb 0.16 -1.52 -0.08 0.00 2.41 0.00 0.00 30.24 31.22 2wr4 n GLN 454 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 2wr4 h LEU 455 N 0.00 0.00 0.00 1.69 3.38 -1.17 -3.43 115.31 115.78 2wr4 h LEU 455 Ca -0.57 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 56.96 2wr4 h LEU 455 Cb 1.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.70 2wr4 h LEU 455 CO -0.07 1.09 0.00 0.54 0.09 0.00 0.00 178.44 180.09 2wr4 n ARG 456 N -4.56 0.00 0.22 1.13 1.74 -0.94 -2.58 116.66 111.68 2wr4 n ARG 456 Ca -0.18 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 56.96 2wr4 n ARG 456 Cb 0.46 0.00 0.48 0.00 -1.02 0.00 0.00 32.46 32.38 2wr4 n ARG 456 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2wr4 h ASP 457 N 0.00 0.00 0.24 0.55 3.45 -1.94 -3.19 116.42 115.52 2wr4 h ASP 457 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2wr4 h ASP 457 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 2wr4 h ASP 457 CO 0.00 0.23 0.00 0.59 -1.57 0.00 0.00 179.24 178.49 2wr4 n ASN 458 N -4.17 0.00 -3.96 6.45 4.13 -1.06 -4.79 115.26 111.86 2wr4 n ASN 458 Ca -0.02 -0.04 -0.09 0.00 1.68 0.00 0.00 54.58 56.10 2wr4 n ASN 458 Cb 0.29 -0.23 -0.08 0.00 -1.54 0.00 0.00 39.78 38.23 2wr4 n ASN 458 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2wr4 s VAL 459 N -2.46 0.12 -0.21 2.41 -7.23 -1.21 -1.21 120.40 110.60 2wr4 s VAL 459 Ca 0.17 -1.41 -0.04 0.00 -1.81 0.00 0.00 61.98 58.88 2wr4 s VAL 459 Cb 0.11 -1.64 -0.01 0.00 0.56 0.00 0.00 36.38 35.40 2wr4 s VAL 459 CO 0.23 -0.53 -0.04 -0.75 -0.31 0.00 0.00 175.10 173.70 2wr4 s LYS 460 N -3.93 3.43 -0.28 4.82 2.20 0.13 -4.84 119.74 121.26 2wr4 s LYS 460 Ca 0.12 -0.61 -0.29 0.00 -0.36 0.00 0.00 55.97 54.84 2wr4 s LYS 460 Cb 0.05 -3.00 -0.02 0.00 -1.51 0.00 0.00 37.83 33.35 2wr4 s LYS 460 CO -0.05 -0.12 1.77 -1.21 -0.36 0.00 0.00 175.35 175.37 2wr4 s GLU 461 N 1.30 3.49 -0.08 4.03 2.02 -1.26 -0.27 118.70 127.93 2wr4 s GLU 461 Ca 0.04 1.57 -0.27 0.00 0.02 0.00 0.00 54.97 56.33 2wr4 s GLU 461 Cb -0.14 -4.16 -0.24 0.00 0.10 0.00 0.00 34.13 29.69 2wr4 s GLU 461 CO -0.01 -1.67 0.99 1.25 0.02 0.00 0.00 175.26 175.83 2wr4 h LEU 462 N 13.03 0.08 0.00 1.80 7.12 -1.03 -3.49 115.31 132.83 2wr4 h LEU 462 Ca -0.35 -0.79 0.00 0.00 0.13 0.00 0.00 57.88 56.87 2wr4 h LEU 462 Cb 1.17 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 41.27 2wr4 h LEU 462 CO 1.01 0.86 0.00 0.61 -0.13 0.00 0.00 178.44 180.80 2wr4 n GLY 463 N 1.07 3.96 2.04 3.75 0.00 -1.26 -4.98 105.19 109.76 2wr4 n GLY 463 Ca -0.10 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.11 2wr4 n GLY 463 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wr4 n ASN 464 N 0.00 4.08 0.00 1.61 6.94 -1.26 -4.74 115.26 121.89 2wr4 n ASN 464 Ca 0.00 -3.68 0.00 0.00 -0.02 0.00 0.00 54.58 50.88 2wr4 n ASN 464 Cb 0.00 -0.81 0.00 0.00 -2.36 0.00 0.00 39.78 36.61 2wr4 n ASN 464 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wr4 n GLY 465 N -1.10 0.93 3.50 4.83 0.00 -1.26 -4.61 105.19 107.47 2wr4 n GLY 465 Ca 0.55 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.28 2wr4 n GLY 465 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr4 s PHE 467 N -1.16 2.82 -0.25 0.00 0.40 -0.58 -0.30 117.98 118.91 2wr4 s PHE 467 Ca 0.18 -0.81 -0.14 0.00 -0.60 0.00 0.00 56.93 55.57 2wr4 s PHE 467 Cb -0.11 -1.89 -0.04 0.00 0.51 0.00 0.00 43.02 41.49 2wr4 s PHE 467 CO 0.11 -0.34 0.30 -2.00 0.70 0.00 0.00 175.22 173.99 2wr4 s GLU 468 N 0.64 4.06 0.20 0.44 2.12 0.63 -1.79 118.70 125.00 2wr4 s GLU 468 Ca -0.07 -0.05 -0.30 0.00 0.36 0.00 0.00 54.97 54.92 2wr4 s GLU 468 Cb -0.15 -3.60 -0.08 0.00 0.26 0.00 0.00 34.13 30.55 2wr4 s GLU 468 CO 0.03 -0.13 1.13 -0.06 -0.54 0.00 0.00 175.26 175.68 2wr4 s PHE 469 N 1.62 3.54 -1.33 5.30 0.40 -1.26 0.19 117.98 126.43 2wr4 s PHE 469 Ca 0.13 1.57 0.02 0.00 -0.60 0.00 0.00 56.93 58.05 2wr4 s PHE 469 Cb -0.15 -3.33 0.10 0.00 0.51 0.00 0.00 43.02 40.16 2wr4 s PHE 469 CO 0.08 -0.78 0.83 0.66 0.70 0.00 0.00 175.22 176.72 2wr4 n TYR 470 N 2.16 0.23 -3.44 0.36 0.53 -0.35 -4.85 117.16 111.79 2wr4 n TYR 470 Ca 0.02 -0.09 -0.11 0.00 -1.02 0.00 0.00 57.90 56.70 2wr4 n TYR 470 Cb 0.45 -0.10 -0.02 0.00 -1.03 0.00 0.00 39.34 38.65 2wr4 n TYR 470 CO 0.00 0.00 0.00 -3.38 -1.02 0.00 0.00 176.86 172.46 2wr4 s HIS 471 N -1.49 -0.51 0.08 -0.72 -3.43 -1.26 -4.46 115.29 103.50 2wr4 s HIS 471 Ca 0.07 0.33 -0.31 0.00 -0.80 0.00 0.00 55.06 54.36 2wr4 s HIS 471 Cb 0.05 0.55 -0.10 0.00 -1.43 0.00 0.00 32.58 31.66 2wr4 s HIS 471 CO 0.03 -0.79 1.87 -1.59 -2.00 0.00 0.00 174.74 172.27 2wr4 s LYS 472 N -3.56 4.14 -0.39 -0.38 0.00 -1.26 -4.92 119.74 113.38 2wr4 s LYS 472 Ca 0.01 2.58 0.02 0.00 0.00 0.00 0.00 55.97 58.59 2wr4 s LYS 472 Cb -0.01 -3.83 0.11 0.00 0.00 0.00 0.00 37.83 34.10 2wr4 s LYS 472 CO -0.12 -0.88 0.15 0.00 0.00 0.00 0.00 175.35 174.50 2wr4 n ASP 474 N 4.06 -0.82 -0.01 0.00 5.75 -1.26 -4.72 116.55 119.55 2wr4 n ASP 474 Ca 0.04 -0.42 -0.12 0.00 -0.01 0.00 0.00 54.79 54.27 2wr4 n ASP 474 Cb 0.38 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.39 2wr4 n ASP 474 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2wr4 h ASP 475 N -0.82 0.07 -0.07 -1.12 5.19 -2.00 -2.38 116.42 115.30 2wr4 h ASP 475 Ca 0.00 -0.34 0.02 0.00 -0.62 0.00 0.00 57.03 56.09 2wr4 h ASP 475 Cb 0.00 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 39.49 2wr4 h ASP 475 CO 0.00 0.39 0.15 -0.33 -3.12 0.00 0.00 179.24 176.34 2wr4 h GLU 476 N -0.25 0.00 0.06 3.56 4.39 -1.97 -0.47 114.58 119.91 2wr4 h GLU 476 Ca 0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 2wr4 h GLU 476 Cb 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2wr4 h GLU 476 CO 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 179.01 177.82 2wr4 h MET 478 N -0.68 0.58 0.00 0.00 2.86 -0.85 -0.71 114.93 116.14 2wr4 h MET 478 Ca -0.01 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2wr4 h MET 478 Cb 0.57 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.10 2wr4 h MET 478 CO 0.01 0.39 0.00 0.09 1.06 0.00 0.00 176.91 178.46 2wr4 n ASN 479 N -4.81 0.00 -0.08 1.22 4.13 -0.29 -0.11 115.26 115.33 2wr4 n ASN 479 Ca 0.04 -0.11 -0.09 0.00 1.68 0.00 0.00 54.58 56.09 2wr4 n ASN 479 Cb 0.09 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.24 2wr4 n ASN 479 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2wr4 n SER 480 N -0.83 2.21 0.05 6.41 3.41 -0.30 -4.28 113.62 120.29 2wr4 n SER 480 Ca 0.01 -0.05 -0.19 0.00 -0.26 0.00 0.00 58.87 58.38 2wr4 n SER 480 Cb 0.01 0.27 -0.10 0.00 -0.26 0.00 0.00 64.21 64.13 2wr4 n SER 480 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2wr4 h VAL 481 N 0.00 1.30 -0.10 -3.33 2.07 -0.46 0.54 116.25 116.27 2wr4 h VAL 481 Ca -0.37 -2.30 -0.02 0.00 0.82 0.00 0.00 66.70 64.83 2wr4 h VAL 481 Cb 1.70 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 33.88 2wr4 h VAL 481 CO -0.02 0.71 -0.01 0.11 0.02 0.00 0.00 177.57 178.38 2wr4 h LYS 482 N 0.36 0.14 -0.26 1.57 1.57 -0.77 -3.06 116.57 116.12 2wr4 h LYS 482 Ca -0.13 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2wr4 h LYS 482 Cb 1.71 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.99 2wr4 h LYS 482 CO 0.20 0.17 0.00 0.27 -0.57 0.00 0.00 179.45 179.52 2wr4 n ASN 483 N -4.44 3.60 -2.17 0.86 6.94 -1.20 -4.98 115.26 113.87 2wr4 n ASN 483 Ca -0.01 -2.79 -0.16 0.00 -0.02 0.00 0.00 54.58 51.60 2wr4 n ASN 483 Cb 0.15 -0.47 0.03 0.00 -2.36 0.00 0.00 39.78 37.13 2wr4 n ASN 483 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wr4 n GLY 484 N -0.33 -0.15 0.01 4.83 0.00 -0.92 -4.90 105.19 103.73 2wr4 n GLY 484 Ca 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2wr4 n GLY 484 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wr4 n THR 485 N -4.13 0.00 -1.67 2.61 -2.24 0.18 -5.03 114.28 104.00 2wr4 n THR 485 Ca -0.08 -0.50 -0.50 0.00 -2.27 0.00 0.00 64.05 60.71 2wr4 n THR 485 Cb 0.58 1.00 -0.05 0.00 -2.10 0.00 0.00 70.33 69.77 2wr4 n THR 485 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wr4 n TYR 486 N -0.42 2.12 -3.70 4.78 9.36 -0.48 -4.92 117.16 123.91 2wr4 n TYR 486 Ca 0.00 0.28 -0.37 0.00 3.32 0.00 0.00 57.90 61.14 2wr4 n TYR 486 Cb 0.01 -2.53 -0.12 0.00 -0.63 0.00 0.00 39.34 36.07 2wr4 n TYR 486 CO 0.00 0.00 0.00 0.16 0.22 0.00 0.00 176.86 177.24 2wr4 s ASP 487 N 2.44 5.59 0.20 2.98 3.84 -1.26 -5.00 116.67 125.47 2wr4 s ASP 487 Ca 0.88 -0.09 -0.10 0.00 -0.00 0.00 0.00 52.55 53.24 2wr4 s ASP 487 Cb -0.80 -2.02 0.14 0.00 -1.38 0.00 0.00 42.92 38.86 2wr4 s ASP 487 CO 0.49 -0.02 1.84 0.22 -0.00 0.00 0.00 175.17 177.70 2wr4 h TYR 488 N 8.15 0.99 -0.54 2.11 3.20 -1.93 -3.11 116.97 125.84 2wr4 h TYR 488 Ca -0.37 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.51 2wr4 h TYR 488 Cb 1.18 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 39.10 2wr4 h TYR 488 CO 0.70 0.68 0.36 -1.35 -1.64 0.00 0.00 178.16 176.91 2wr4 h PRO 489 N 1.01 0.66 0.00 1.82 0.11 -1.98 -2.54 132.00 131.07 2wr4 h PRO 489 Ca 0.26 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.33 2wr4 h PRO 489 Cb -0.01 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 30.95 2wr4 h PRO 489 CO -0.05 0.44 0.00 1.17 -0.21 0.00 0.00 178.00 179.35 2wr4 n LYS 490 N -4.46 0.03 -3.79 1.05 4.81 -1.17 -4.43 118.16 110.19 2wr4 n LYS 490 Ca 0.06 0.34 -0.24 0.00 -0.87 0.00 0.00 58.31 57.59 2wr4 n LYS 490 Cb 0.10 -1.50 -0.17 0.00 0.02 0.00 0.00 35.03 33.47 2wr4 n LYS 490 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2wr4 s TYR 491 N -2.79 0.90 0.00 5.64 2.02 -0.96 -4.95 117.35 117.21 2wr4 s TYR 491 Ca 0.03 -0.40 0.11 0.00 -0.37 0.00 0.00 57.07 56.44 2wr4 s TYR 491 Cb 0.03 -0.93 0.18 0.00 -0.40 0.00 0.00 41.96 40.84 2wr4 s TYR 491 CO 0.07 -0.41 1.02 0.39 -1.57 0.00 0.00 175.55 175.05 2wr4 n GLU 492 N 5.09 0.00 -1.92 -0.62 -0.58 -1.26 -4.96 120.64 116.39 2wr4 n GLU 492 Ca -0.08 -1.33 -0.42 0.00 -0.42 0.00 0.00 57.16 54.91 2wr4 n GLU 492 Cb 0.49 -0.14 -0.03 0.00 -0.57 0.00 0.00 31.44 31.20 2wr4 n GLU 492 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2wr4 s GLU 493 N 0.00 4.05 -0.61 3.49 2.02 -1.26 -4.97 118.70 121.41 2wr4 s GLU 493 Ca 0.14 2.21 -0.06 0.00 0.02 0.00 0.00 54.97 57.28 2wr4 s GLU 493 Cb 0.16 -4.06 0.16 0.00 0.10 0.00 0.00 34.13 30.49 2wr4 s GLU 493 CO -0.07 -1.02 0.46 -1.21 0.02 0.00 0.00 175.26 173.44 2wr4 s GLU 494 N 4.38 2.69 -0.17 1.61 2.02 -1.26 -4.83 118.70 123.13 2wr4 s GLU 494 Ca 0.78 -2.29 -0.00 0.00 0.02 0.00 0.00 54.97 53.48 2wr4 s GLU 494 Cb -0.34 -3.89 0.14 0.00 0.10 0.00 0.00 34.13 30.13 2wr4 s GLU 494 CO 0.33 -1.19 1.86 0.43 0.02 0.00 0.00 175.26 176.71 2wr4 n SER 495 N 3.97 5.46 0.00 -0.19 7.64 -1.26 -5.20 113.62 124.04 2wr4 n SER 495 Ca 0.05 -2.72 0.00 0.00 1.01 0.00 0.00 58.87 57.21 2wr4 n SER 495 Cb 0.40 -0.99 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 2wr4 n SER 495 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32