#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 1.66 0.02 1.69 1.10 -0.52 0.10 121.20 125.25 2wr4 s ILE 7 Ca 0.00 -0.88 0.05 0.00 -0.51 0.00 0.00 60.65 59.31 2wr4 s ILE 7 Cb 0.00 -1.39 -0.02 0.00 0.15 0.00 0.00 42.46 41.20 2wr4 s ILE 7 CO 0.00 0.47 -0.16 0.00 -2.11 0.00 0.00 174.94 173.14 2wr4 s ILE 9 N -0.62 5.41 0.34 0.00 -1.09 0.18 -0.11 121.20 125.31 2wr4 s ILE 9 Ca 0.04 0.20 -0.05 0.00 -2.23 0.00 0.00 60.65 58.62 2wr4 s ILE 9 Cb -0.07 -3.47 0.01 0.00 -1.58 0.00 0.00 42.46 37.35 2wr4 s ILE 9 CO 0.01 0.45 0.51 -0.83 -1.23 0.00 0.00 174.94 173.85 2wr4 s GLY 10 N 0.25 1.31 0.11 6.18 0.00 -0.66 -4.68 107.32 109.83 2wr4 s GLY 10 Ca 0.09 -1.39 0.03 0.00 0.00 0.00 0.00 44.72 43.44 2wr4 s GLY 10 CO -0.01 -0.90 -0.08 -2.52 0.00 0.00 0.00 173.10 169.59 2wr4 s TYR 11 N -3.01 1.01 0.46 1.90 1.13 -1.26 -2.03 117.35 115.55 2wr4 s TYR 11 Ca 0.28 -0.84 -0.23 0.00 -1.41 0.00 0.00 57.07 54.88 2wr4 s TYR 11 Cb -0.01 -0.56 -0.07 0.00 -1.10 0.00 0.00 41.96 40.22 2wr4 s TYR 11 CO 0.19 -0.07 1.19 -1.58 -2.51 0.00 0.00 175.55 172.77 2wr4 s HIS 12 N -3.38 2.83 0.05 -3.49 5.65 -0.43 -0.09 115.29 116.42 2wr4 s HIS 12 Ca 0.12 1.51 -0.03 0.00 0.25 0.00 0.00 55.06 56.91 2wr4 s HIS 12 Cb 0.03 -3.44 -0.02 0.00 -1.18 0.00 0.00 32.58 27.97 2wr4 s HIS 12 CO -0.03 -1.66 0.04 0.00 -0.65 0.00 0.00 174.74 172.45 2wr4 s ALA 13 N -1.49 0.16 0.00 1.58 0.00 -0.73 -4.54 121.76 116.74 2wr4 s ALA 13 Ca 0.63 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.78 2wr4 s ALA 13 Cb -0.31 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.09 2wr4 s ALA 13 CO 0.37 -0.34 0.00 0.27 0.00 0.00 0.00 175.76 176.06 2wr4 n ASN 14 N 0.53 0.00 -1.86 0.00 0.23 -1.26 -4.01 115.26 108.89 2wr4 n ASN 14 Ca -0.17 0.00 -0.18 0.00 -0.53 0.00 0.00 54.58 53.70 2wr4 n ASN 14 Cb 0.59 0.00 0.17 0.00 -2.08 0.00 0.00 39.78 38.47 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 0.00 3.65 -4.77 0.53 0.23 -1.26 -4.86 115.26 108.78 2wr4 n ASN 15 Ca 0.00 -3.70 -0.38 0.00 -0.53 0.00 0.00 54.58 49.98 2wr4 n ASN 15 Cb 0.00 -0.77 -0.01 0.00 -2.08 0.00 0.00 39.78 36.92 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 -1.86 6.27 0.00 0.53 0.15 -1.26 -4.93 113.70 112.60 2wr4 s SER 16 Ca 0.53 2.36 0.02 0.00 0.70 0.00 0.00 55.95 59.56 2wr4 s SER 16 Cb 0.46 -2.61 0.04 0.00 -1.71 0.00 0.00 66.02 62.20 2wr4 s SER 16 CO 0.06 -0.85 0.93 0.35 1.20 0.00 0.00 173.24 174.92 2wr4 n THR 17 N -0.27 0.78 -1.68 6.45 -2.24 -1.26 -4.84 114.28 111.21 2wr4 n THR 17 Ca 0.06 -0.89 -0.45 0.00 -2.27 0.00 0.00 64.05 60.50 2wr4 n THR 17 Cb 0.47 0.62 -0.04 0.00 -2.10 0.00 0.00 70.33 69.28 2wr4 n THR 17 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2wr4 n GLU 18 N -0.24 2.30 -5.15 -0.78 4.07 -1.26 -4.88 120.64 114.70 2wr4 n GLU 18 Ca 0.02 0.83 -0.30 0.00 -0.06 0.00 0.00 57.16 57.64 2wr4 n GLU 18 Cb 0.23 -2.61 -0.16 0.00 -0.06 0.00 0.00 31.44 28.84 2wr4 n GLU 18 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2wr4 s LYS 19 N 0.96 1.96 0.23 5.31 1.02 -1.26 -1.35 119.74 126.60 2wr4 s LYS 19 Ca 0.78 -0.96 0.04 0.00 0.02 0.00 0.00 55.97 55.85 2wr4 s LYS 19 Cb -0.64 -1.96 -0.05 0.00 -0.52 0.00 0.00 37.83 34.66 2wr4 s LYS 19 CO 0.37 0.53 -0.02 0.14 -0.92 0.00 0.00 175.35 175.44 2wr4 s VAL 20 N -0.65 1.12 0.04 3.17 -7.23 -0.23 -4.90 120.40 111.72 2wr4 s VAL 20 Ca 0.10 -2.05 0.06 0.00 -1.81 0.00 0.00 61.98 58.29 2wr4 s VAL 20 Cb -0.10 -2.30 -0.03 0.00 0.56 0.00 0.00 36.38 34.51 2wr4 s VAL 20 CO -0.00 -0.37 -0.15 -1.81 -0.31 0.00 0.00 175.10 172.47 2wr4 s ASP 21 N -3.31 4.06 0.49 4.85 1.01 -1.26 -0.45 116.67 122.05 2wr4 s ASP 21 Ca 0.27 -0.37 0.03 0.00 0.71 0.00 0.00 52.55 53.19 2wr4 s ASP 21 Cb 0.05 -0.74 -0.03 0.00 1.01 0.00 0.00 42.92 43.22 2wr4 s ASP 21 CO 0.08 0.25 0.02 0.42 0.21 0.00 0.00 175.17 176.15 2wr4 s THR 22 N -0.99 1.37 0.29 -1.27 -4.23 0.18 -4.45 115.64 106.54 2wr4 s THR 22 Ca 0.16 -1.98 -0.01 0.00 -1.18 0.00 0.00 61.69 58.69 2wr4 s THR 22 Cb -0.11 -2.35 0.28 0.00 1.34 0.00 0.00 72.50 71.66 2wr4 s THR 22 CO 0.07 0.00 1.90 0.40 -0.54 0.00 0.00 174.62 176.45 2wr4 h ILE 23 N 1.42 1.07 0.01 2.99 1.08 -1.87 -3.19 117.51 119.02 2wr4 h ILE 23 Ca -0.44 -0.37 -0.31 0.00 -0.39 0.00 0.00 64.86 63.35 2wr4 h ILE 23 Cb 1.30 -0.11 -0.05 0.00 -3.07 0.00 0.00 36.82 34.88 2wr4 h ILE 23 CO 0.75 0.20 -1.87 0.18 -0.69 0.00 0.00 178.15 176.72 2wr4 n LEU 24 N -4.50 0.88 -4.14 1.44 4.77 -1.26 -4.97 117.00 109.23 2wr4 n LEU 24 Ca 0.15 0.32 -0.23 0.00 -0.03 0.00 0.00 56.01 56.21 2wr4 n LEU 24 Cb 0.20 0.12 -0.15 0.00 -2.33 0.00 0.00 43.42 41.25 2wr4 n LEU 24 CO 0.32 0.45 -0.48 -1.61 -1.33 0.00 0.00 177.39 174.74 2wr4 s GLU 25 N -2.57 1.19 0.09 3.23 2.02 -1.21 -5.14 118.70 116.31 2wr4 s GLU 25 Ca -0.07 -0.62 -0.00 0.00 0.02 0.00 0.00 54.97 54.29 2wr4 s GLU 25 Cb 0.08 -1.18 -0.04 0.00 0.10 0.00 0.00 34.13 33.09 2wr4 s GLU 25 CO 0.82 0.32 0.25 1.03 0.02 0.00 0.00 175.26 177.69 2wr4 s ARG 26 N -0.57 3.47 -0.95 1.61 1.81 -1.26 0.50 118.95 123.55 2wr4 s ARG 26 Ca 0.05 -0.41 -0.04 0.00 -1.72 0.00 0.00 55.73 53.62 2wr4 s ARG 26 Cb -0.06 -3.00 0.00 0.00 -0.45 0.00 0.00 34.95 31.44 2wr4 s ARG 26 CO -0.00 0.57 0.81 -1.71 -0.68 0.00 0.00 175.30 174.29 2wr4 n ASN 27 N 0.12 -3.76 -4.71 0.23 5.15 -1.14 -4.95 115.26 106.21 2wr4 n ASN 27 Ca -0.05 -0.42 -0.38 0.00 -0.60 0.00 0.00 54.58 53.13 2wr4 n ASN 27 Cb 0.52 -3.87 -0.06 0.00 -0.53 0.00 0.00 39.78 35.83 2wr4 n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2wr4 s VAL 28 N -3.25 5.20 0.11 3.44 1.01 0.40 -4.85 120.40 122.46 2wr4 s VAL 28 Ca 0.23 0.86 -0.29 0.00 0.00 0.00 0.00 61.98 62.78 2wr4 s VAL 28 Cb -0.10 -3.78 -0.06 0.00 0.00 0.00 0.00 36.38 32.44 2wr4 s VAL 28 CO 0.54 0.31 0.93 -0.89 0.00 0.00 0.00 175.10 175.99 2wr4 s THR 29 N 0.79 4.49 0.03 3.92 2.01 -1.26 -1.07 115.64 124.56 2wr4 s THR 29 Ca 0.23 2.00 0.04 0.00 0.31 0.00 0.00 61.69 64.27 2wr4 s THR 29 Cb -0.15 -4.29 -0.02 0.00 0.01 0.00 0.00 72.50 68.05 2wr4 s THR 29 CO 0.09 0.34 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.56 2wr4 s VAL 30 N -0.14 0.84 0.14 3.82 1.01 -0.46 -1.79 120.40 123.82 2wr4 s VAL 30 Ca 0.45 -0.87 -0.17 0.00 0.00 0.00 0.00 61.98 61.39 2wr4 s VAL 30 Cb -0.23 -0.78 -0.00 0.00 0.00 0.00 0.00 36.38 35.36 2wr4 s VAL 30 CO 0.29 -0.07 1.77 0.74 0.00 0.00 0.00 175.10 177.83 2wr4 h THR 31 N 4.60 1.12 -3.28 3.92 2.02 -1.04 -3.39 112.91 116.85 2wr4 h THR 31 Ca -0.36 -0.29 -0.15 0.00 0.77 0.00 0.00 66.41 66.39 2wr4 h THR 31 Cb 1.19 0.64 -0.23 0.00 -1.74 0.00 0.00 68.15 68.01 2wr4 h THR 31 CO 0.44 0.12 -0.44 -1.00 0.37 0.00 0.00 175.52 175.02 2wr4 s HIS 32 N -5.99 -0.13 0.07 3.16 3.76 -1.26 -4.76 115.29 110.15 2wr4 s HIS 32 Ca -0.13 0.27 -0.04 0.00 -0.15 0.00 0.00 55.06 55.00 2wr4 s HIS 32 Cb 0.10 0.04 -0.02 0.00 1.11 0.00 0.00 32.58 33.81 2wr4 s HIS 32 CO 0.73 -0.23 0.07 0.00 -0.85 0.00 0.00 174.74 174.46 2wr4 s ALA 33 N -0.69 0.22 -0.08 -1.40 0.00 -1.26 -1.10 121.76 117.44 2wr4 s ALA 33 Ca -0.08 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.90 2wr4 s ALA 33 Cb -0.04 0.40 0.02 0.00 0.00 0.00 0.00 23.12 23.50 2wr4 s ALA 33 CO 0.01 -0.44 -0.06 0.21 0.00 0.00 0.00 175.76 175.48 2wr4 s LYS 34 N -3.90 1.23 -0.18 0.00 2.20 0.56 -4.86 119.74 114.78 2wr4 s LYS 34 Ca 0.07 -0.17 -0.26 0.00 -0.36 0.00 0.00 55.97 55.25 2wr4 s LYS 34 Cb 0.07 -1.29 -0.01 0.00 -1.51 0.00 0.00 37.83 35.08 2wr4 s LYS 34 CO -0.10 -0.20 0.87 0.34 -0.36 0.00 0.00 175.35 175.91 2wr4 s ASP 35 N 1.47 6.98 -0.18 1.43 -1.08 -1.26 -0.24 116.67 123.80 2wr4 s ASP 35 Ca -0.01 1.21 0.16 0.00 -0.52 0.00 0.00 52.55 53.39 2wr4 s ASP 35 Cb -0.13 -2.47 0.62 0.00 -1.46 0.00 0.00 42.92 39.48 2wr4 s ASP 35 CO -0.04 -0.45 1.53 2.30 0.52 0.00 0.00 175.17 179.03 2wr4 n ILE 36 N 4.86 2.29 -4.00 4.11 -5.35 0.52 -4.88 119.36 116.91 2wr4 n ILE 36 Ca 0.06 -1.61 -0.34 0.00 -0.27 0.00 0.00 62.75 60.59 2wr4 n ILE 36 Cb 0.48 -0.17 -0.15 0.00 -1.74 0.00 0.00 39.64 38.07 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 -2.58 2.90 0.02 7.28 2.96 -1.25 -3.54 118.68 124.48 2wr4 s LEU 37 Ca 0.45 -0.79 -0.30 0.00 -0.22 0.00 0.00 54.13 53.27 2wr4 s LEU 37 Cb 0.35 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 45.38 2wr4 s LEU 37 CO 0.13 -0.09 0.99 -0.70 -1.32 0.00 0.00 176.35 175.36 2wr4 s GLU 38 N 1.32 4.57 0.00 1.98 2.56 0.13 -4.91 118.70 124.36 2wr4 s GLU 38 Ca 0.01 1.45 0.00 0.00 0.00 0.00 0.00 54.97 56.43 2wr4 s GLU 38 Cb -0.16 -3.44 0.00 0.00 2.00 0.00 0.00 34.13 32.53 2wr4 s GLU 38 CO -0.06 -0.02 0.03 1.63 -0.56 0.00 0.00 175.26 176.27 2wr4 n LYS 39 N 3.72 3.20 -4.35 4.30 5.02 -1.26 -2.35 118.16 126.43 2wr4 n LYS 39 Ca 0.06 -0.03 -0.32 0.00 -2.02 0.00 0.00 58.31 56.00 2wr4 n LYS 39 Cb 0.50 -0.32 -0.10 0.00 -0.02 0.00 0.00 35.03 35.10 2wr4 n LYS 39 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wr4 s THR 40 N -0.47 3.79 0.30 -0.18 -4.23 -1.26 -4.84 115.64 108.76 2wr4 s THR 40 Ca 0.00 -0.81 0.04 0.00 -1.18 0.00 0.00 61.69 59.74 2wr4 s THR 40 Cb 0.00 -2.69 -0.06 0.00 1.34 0.00 0.00 72.50 71.09 2wr4 s THR 40 CO 0.00 0.33 0.04 -1.38 -0.54 0.00 0.00 174.62 173.07 2wr4 s HIS 41 N -1.08 1.89 -2.22 3.99 -3.43 -1.26 -4.76 115.29 108.42 2wr4 s HIS 41 Ca 0.19 -0.93 0.19 0.00 -0.80 0.00 0.00 55.06 53.71 2wr4 s HIS 41 Cb -0.11 -1.19 0.56 0.00 -1.43 0.00 0.00 32.58 30.41 2wr4 s HIS 41 CO 0.10 0.02 1.44 0.27 -2.00 0.00 0.00 174.74 174.57 2wr4 n ASN 42 N -0.62 2.29 0.00 7.38 6.94 -0.43 -4.89 115.26 125.92 2wr4 n ASN 42 Ca -0.03 -1.87 0.00 0.00 -0.02 0.00 0.00 54.58 52.66 2wr4 n ASN 42 Cb 0.66 -0.20 0.00 0.00 -2.36 0.00 0.00 39.78 37.87 2wr4 n ASN 42 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wr4 n GLY 43 N 1.24 0.00 3.93 4.83 0.00 -1.25 -4.78 105.19 109.15 2wr4 n GLY 43 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.67 3.54 -0.27 1.61 1.02 -1.26 -4.64 119.74 119.07 2wr4 s LYS 44 Ca 0.00 -0.21 -0.09 0.00 0.02 0.00 0.00 55.97 55.69 2wr4 s LYS 44 Cb 0.00 -2.67 -0.03 0.00 -0.52 0.00 0.00 37.83 34.61 2wr4 s LYS 44 CO 0.00 0.19 0.12 -1.17 -0.92 0.00 0.00 175.35 173.57 2wr4 s LEU 45 N -3.95 3.70 0.41 3.17 0.20 -1.26 -2.68 118.68 118.28 2wr4 s LEU 45 Ca 0.41 -0.20 0.07 0.00 0.69 0.00 0.00 54.13 55.10 2wr4 s LEU 45 Cb -0.10 -1.99 -0.07 0.00 -0.43 0.00 0.00 46.19 43.60 2wr4 s LEU 45 CO 0.33 -0.06 0.06 0.00 -0.29 0.00 0.00 176.35 176.39 2wr4 s ARG 47 N -3.77 3.96 -0.33 0.00 1.70 -1.14 -4.66 118.95 114.70 2wr4 s ARG 47 Ca 0.36 0.74 -0.08 0.00 -0.47 0.00 0.00 55.73 56.28 2wr4 s ARG 47 Cb 0.08 -2.32 0.02 0.00 -0.57 0.00 0.00 34.95 32.16 2wr4 s ARG 47 CO 0.19 -0.02 0.12 -1.17 -1.08 0.00 0.00 175.30 173.34 2wr4 s LEU 48 N -3.49 4.19 -1.56 -1.89 2.96 0.23 -2.17 118.68 116.94 2wr4 s LEU 48 Ca 0.55 -0.91 -0.10 0.00 -0.22 0.00 0.00 54.13 53.46 2wr4 s LEU 48 Cb -0.10 -1.91 0.08 0.00 0.50 0.00 0.00 46.19 44.76 2wr4 s LEU 48 CO 0.24 -0.28 0.61 -1.20 -1.32 0.00 0.00 176.35 174.40 2wr4 n SER 49 N 4.87 -1.96 0.00 3.68 7.64 -0.33 -1.92 113.62 125.60 2wr4 n SER 49 Ca -0.13 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.75 2wr4 n SER 49 Cb 0.46 -2.93 0.00 0.00 -1.01 0.00 0.00 64.21 60.74 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 -1.72 2.11 3.38 0.23 0.00 -1.26 -5.04 105.19 102.89 2wr4 n GLY 50 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.36 3.12 0.92 -0.61 1.01 -0.81 -5.05 121.20 117.41 2wr4 s ILE 51 Ca 0.00 -0.64 -0.12 0.00 0.00 0.00 0.00 60.65 59.89 2wr4 s ILE 51 Cb 0.00 -2.31 0.14 0.00 0.01 0.00 0.00 42.46 40.30 2wr4 s ILE 51 CO 0.00 0.52 1.10 -2.84 0.00 0.00 0.00 174.94 173.72 2wr4 s PRO 52 N 0.36 1.10 0.44 2.79 0.02 -1.26 -0.61 135.00 137.85 2wr4 s PRO 52 Ca -0.10 0.62 -0.13 0.00 0.02 0.00 0.00 61.00 61.41 2wr4 s PRO 52 Cb -0.16 -1.81 -0.07 0.00 0.02 0.00 0.00 34.50 32.48 2wr4 s PRO 52 CO 0.05 -2.30 0.85 -1.25 -0.33 0.00 0.00 177.00 174.03 2wr4 s PRO 53 N -5.03 3.86 -0.17 5.54 0.05 -1.26 -0.31 135.00 137.69 2wr4 s PRO 53 Ca 0.64 0.67 -0.29 0.00 0.05 0.00 0.00 61.00 62.06 2wr4 s PRO 53 Cb -0.17 -2.29 -0.01 0.00 0.05 0.00 0.00 34.50 32.08 2wr4 s PRO 53 CO 0.56 -0.12 1.18 -1.17 0.05 0.00 0.00 177.00 177.51 2wr4 s LEU 54 N -3.89 4.17 -0.22 -3.56 2.96 0.06 -4.88 118.68 113.33 2wr4 s LEU 54 Ca 0.54 1.62 -0.08 0.00 -0.22 0.00 0.00 54.13 55.99 2wr4 s LEU 54 Cb -0.10 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.01 2wr4 s LEU 54 CO 0.31 -0.70 0.08 -1.61 -1.32 0.00 0.00 176.35 173.11 2wr4 s GLU 55 N 3.20 3.84 0.00 1.98 2.02 -1.26 -1.57 118.70 126.91 2wr4 s GLU 55 Ca 0.52 -0.39 0.24 0.00 0.02 0.00 0.00 54.97 55.35 2wr4 s GLU 55 Cb -0.20 -3.32 0.38 0.00 0.10 0.00 0.00 34.13 31.09 2wr4 s GLU 55 CO 0.13 0.02 1.37 1.28 0.02 0.00 0.00 175.26 178.08 2wr4 n LEU 56 N 4.31 2.86 0.00 1.80 4.77 -0.96 -4.88 117.00 124.90 2wr4 n LEU 56 Ca -0.16 -1.04 0.00 0.00 -0.03 0.00 0.00 56.01 54.78 2wr4 n LEU 56 Cb 0.52 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2wr4 n LEU 56 CO 0.33 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 2wr4 n GLY 57 N 1.36 4.16 2.37 -0.72 0.00 -1.26 -0.80 105.19 110.29 2wr4 n GLY 57 Ca 0.16 0.08 -0.25 0.00 0.00 0.00 0.00 46.02 46.01 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 7.70 4.60 -4.88 1.61 5.75 -1.26 -4.35 116.55 125.73 2wr4 n ASP 58 Ca 0.00 -3.67 -0.22 0.00 -0.01 0.00 0.00 54.79 50.90 2wr4 n ASP 58 Cb 0.00 -0.43 -0.03 0.00 -1.03 0.00 0.00 41.12 39.62 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 -3.87 5.90 0.19 0.00 1.04 -0.45 -4.75 113.70 111.76 2wr4 s SER 60 Ca 0.33 -0.07 -0.11 0.00 0.48 0.00 0.00 55.95 56.58 2wr4 s SER 60 Cb -0.08 -1.28 0.20 0.00 0.10 0.00 0.00 66.02 64.96 2wr4 s SER 60 CO 0.26 -0.53 1.76 0.40 0.98 0.00 0.00 173.24 176.12 2wr4 h ILE 61 N 0.73 0.87 -0.31 -1.02 2.04 -1.97 -0.46 117.51 117.38 2wr4 h ILE 61 Ca -0.46 -0.15 0.07 0.00 1.00 0.00 0.00 64.86 65.32 2wr4 h ILE 61 Cb 1.26 0.38 -0.07 0.00 -0.74 0.00 0.00 36.82 37.64 2wr4 h ILE 61 CO 0.54 0.08 -0.19 0.00 0.00 0.00 0.00 178.15 178.58 2wr4 h ALA 62 N 1.34 0.03 -0.69 1.87 0.00 -1.94 -0.16 119.26 119.70 2wr4 h ALA 62 Ca 0.26 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.24 2wr4 h ALA 62 Cb 0.25 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2wr4 h ALA 62 CO -0.23 -0.58 0.25 0.78 0.00 0.00 0.00 179.25 179.47 2wr4 h GLY 63 N -0.15 1.11 0.98 0.00 0.00 -1.56 -1.18 103.07 102.27 2wr4 h GLY 63 Ca 0.16 -0.61 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 2wr4 h GLY 63 CO -0.41 0.58 -0.29 -0.25 0.00 0.00 0.00 176.54 176.17 2wr4 h TRP 64 N 1.01 -0.76 -0.73 5.60 7.01 -0.53 0.82 115.95 128.37 2wr4 h TRP 64 Ca 0.23 -0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.16 2wr4 h TRP 64 Cb 0.23 0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 27.51 2wr4 h TRP 64 CO 0.02 -0.46 0.27 -0.07 -2.79 0.00 0.00 178.44 175.41 2wr4 h LEU 65 N -0.84 1.03 -0.84 0.65 3.38 -0.90 -2.40 115.31 115.39 2wr4 h LEU 65 Ca -0.08 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.58 2wr4 h LEU 65 Cb 0.64 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2wr4 h LEU 65 CO 0.14 0.93 -0.49 -0.07 0.09 0.00 0.00 178.44 179.04 2wr4 h LEU 66 N 1.06 0.24 -0.28 1.67 3.38 -1.24 -3.45 115.31 116.69 2wr4 h LEU 66 Ca 0.24 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2wr4 h LEU 66 Cb 0.24 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2wr4 h LEU 66 CO -0.02 0.69 0.00 0.61 0.09 0.00 0.00 178.44 179.82 2wr4 n GLY 67 N -0.00 1.05 3.56 0.83 0.00 -0.26 -1.30 105.19 109.08 2wr4 n GLY 67 Ca -0.02 -0.23 -0.56 0.00 0.00 0.00 0.00 46.02 45.22 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 0.51 1.00 0.32 1.61 2.85 0.12 -0.25 115.26 121.42 2wr4 n ASN 68 Ca 0.00 1.14 0.21 0.00 -0.11 0.00 0.00 54.58 55.81 2wr4 n ASN 68 Cb 0.16 -1.07 1.05 0.00 1.24 0.00 0.00 39.78 41.16 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 4.06 0.00 0.00 1.20 0.11 -1.90 -0.08 132.00 135.39 2wr4 h PRO 69 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2wr4 h PRO 69 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 2wr4 h PRO 69 CO 0.74 0.01 0.00 0.39 -0.21 0.00 0.00 178.00 178.93 2wr4 n GLU 70 N -3.13 0.18 -0.67 1.05 -0.58 -1.26 -2.80 120.64 113.42 2wr4 n GLU 70 Ca -0.02 0.13 0.08 0.00 -0.42 0.00 0.00 57.16 56.92 2wr4 n GLU 70 Cb 0.14 -1.50 0.34 0.00 -0.57 0.00 0.00 31.44 29.85 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 3.22 0.89 -0.18 0.00 3.45 -1.66 -2.68 116.42 119.46 2wr4 h ASP 72 Ca 0.00 -0.19 0.00 0.00 0.43 0.00 0.00 57.03 57.27 2wr4 h ASP 72 Cb 1.67 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 40.21 2wr4 h ASP 72 CO 0.34 0.84 0.00 0.54 -1.57 0.00 0.00 179.24 179.39 2wr4 n ARG 73 N -4.41 1.88 -0.26 3.56 1.74 -1.26 -4.59 116.66 113.32 2wr4 n ARG 73 Ca 0.04 -0.84 -0.03 0.00 -0.77 0.00 0.00 57.85 56.25 2wr4 n ARG 73 Cb 0.19 -1.51 0.08 0.00 -1.02 0.00 0.00 32.46 30.20 2wr4 n ARG 73 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2wr4 h LEU 74 N 1.17 0.76 -2.45 0.55 7.12 -1.83 -3.48 115.31 117.15 2wr4 h LEU 74 Ca 0.00 -0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2wr4 h LEU 74 Cb 0.68 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.65 2wr4 h LEU 74 CO 0.09 0.52 0.00 -0.11 -0.13 0.00 0.00 178.44 178.81 2wr4 n LEU 75 N -4.64 -1.63 -4.81 2.25 7.94 -1.26 -4.89 117.00 109.96 2wr4 n LEU 75 Ca 0.08 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 54.60 2wr4 n LEU 75 Cb 0.09 -0.82 -0.06 0.00 0.53 0.00 0.00 43.42 43.16 2wr4 n LEU 75 CO 0.33 0.00 0.13 -0.55 -1.11 0.00 0.00 177.39 176.19 2wr4 s SER 76 N -0.21 6.79 0.21 1.96 0.15 -1.26 -4.79 113.70 116.56 2wr4 s SER 76 Ca 0.00 0.94 0.08 0.00 0.70 0.00 0.00 55.95 57.68 2wr4 s SER 76 Cb 0.00 -2.26 -0.04 0.00 -1.71 0.00 0.00 66.02 62.00 2wr4 s SER 76 CO 0.00 0.25 -0.01 0.68 1.20 0.00 0.00 173.24 175.36 2wr4 s VAL 77 N -0.68 3.58 -1.12 4.45 -7.23 -1.26 -5.04 120.40 113.10 2wr4 s VAL 77 Ca 0.24 -1.62 0.26 0.00 -1.81 0.00 0.00 61.98 59.06 2wr4 s VAL 77 Cb -0.16 -2.84 0.12 0.00 0.56 0.00 0.00 36.38 34.06 2wr4 s VAL 77 CO 0.13 -0.21 1.59 -0.81 -0.31 0.00 0.00 175.10 175.49 2wr4 n PRO 78 N -0.40 0.13 0.00 4.82 -0.05 -1.26 -4.75 135.00 133.49 2wr4 n PRO 78 Ca -0.09 -0.06 0.00 0.00 -0.05 0.00 0.00 63.50 63.30 2wr4 n PRO 78 Cb 0.57 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 32.52 2wr4 n PRO 78 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 175.50 173.54 2wr4 n GLU 79 N -1.38 0.00 -1.20 0.54 2.13 -1.26 -1.22 120.64 118.26 2wr4 n GLU 79 Ca 0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.89 2wr4 n GLU 79 Cb 0.33 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.04 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 -2.12 -1.31 0.04 4.31 2.14 -1.25 -4.04 117.44 115.22 2wr4 n TRP 80 Ca 0.00 0.70 0.00 0.00 2.07 0.00 0.00 57.50 60.27 2wr4 n TRP 80 Cb 0.00 -1.29 -0.00 0.00 -0.81 0.00 0.00 31.31 29.21 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 -1.33 0.60 -3.66 -0.67 3.41 0.58 -3.27 113.62 109.28 2wr4 n SER 81 Ca 0.00 -0.80 -0.00 0.00 -0.26 0.00 0.00 58.87 57.81 2wr4 n SER 81 Cb 0.04 0.46 -0.01 0.00 -0.26 0.00 0.00 64.21 64.44 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 -0.53 -0.07 -0.06 7.33 -0.85 -1.25 -4.70 117.35 117.22 2wr4 s TYR 82 Ca 0.01 -0.10 0.04 0.00 -0.52 0.00 0.00 57.07 56.50 2wr4 s TYR 82 Cb 0.01 0.58 -0.02 0.00 0.38 0.00 0.00 41.96 42.91 2wr4 s TYR 82 CO 0.02 -0.46 -0.19 0.42 -1.52 0.00 0.00 175.55 173.82 2wr4 s ILE 83 N -2.68 2.61 -0.25 -3.49 1.01 -1.01 -0.76 121.20 116.63 2wr4 s ILE 83 Ca 0.14 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.84 2wr4 s ILE 83 Cb 0.03 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 2wr4 s ILE 83 CO -0.02 0.57 0.08 -0.69 0.00 0.00 0.00 174.94 174.88 2wr4 s VAL 84 N -0.35 4.40 0.00 2.92 1.01 -0.61 0.16 120.40 127.93 2wr4 s VAL 84 Ca 0.03 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.87 2wr4 s VAL 84 Cb -0.12 -3.05 -0.00 0.00 0.00 0.00 0.00 36.38 33.20 2wr4 s VAL 84 CO 0.02 0.34 -0.03 -0.70 0.00 0.00 0.00 175.10 174.73 2wr4 s GLU 85 N 1.53 0.24 0.82 2.72 2.12 -0.66 -2.26 118.70 123.21 2wr4 s GLU 85 Ca 0.06 -0.18 -0.11 0.00 0.36 0.00 0.00 54.97 55.10 2wr4 s GLU 85 Cb -0.15 -0.19 0.08 0.00 0.26 0.00 0.00 34.13 34.13 2wr4 s GLU 85 CO 0.04 0.05 1.09 0.15 -0.54 0.00 0.00 175.26 176.05 2wr4 s LYS 86 N -0.27 1.89 0.14 4.30 1.02 -1.25 -2.46 119.74 123.11 2wr4 s LYS 86 Ca -0.01 0.86 -0.17 0.00 0.02 0.00 0.00 55.97 56.67 2wr4 s LYS 86 Cb -0.02 -1.88 -0.01 0.00 -0.52 0.00 0.00 37.83 35.39 2wr4 s LYS 86 CO -0.00 -1.81 1.75 1.49 -0.92 0.00 0.00 175.35 175.85 2wr4 h GLU 87 N -1.24 0.49 -2.93 1.68 4.57 -1.90 -3.35 114.58 111.90 2wr4 h GLU 87 Ca -0.47 -0.05 -0.61 0.00 -1.18 0.00 0.00 59.36 57.05 2wr4 h GLU 87 Cb 1.26 -0.10 -0.40 0.00 -0.16 0.00 0.00 28.75 29.35 2wr4 h GLU 87 CO 0.55 0.39 -0.74 1.21 -1.18 0.00 0.00 179.01 179.25 2wr4 s ASN 88 N -5.63 3.56 0.61 1.04 3.84 -1.26 -5.12 114.94 111.99 2wr4 s ASN 88 Ca -0.13 -2.92 -0.19 0.00 0.21 0.00 0.00 52.86 49.83 2wr4 s ASN 88 Cb 0.10 -1.08 -0.03 0.00 -0.55 0.00 0.00 41.25 39.69 2wr4 s ASN 88 CO 0.73 -0.22 1.26 -2.84 -2.79 0.00 0.00 177.10 173.24 2wr4 s PRO 89 N -0.03 2.80 0.17 0.43 0.02 -1.26 -4.94 135.00 132.18 2wr4 s PRO 89 Ca 0.21 1.98 0.21 0.00 0.02 0.00 0.00 61.00 63.42 2wr4 s PRO 89 Cb -0.17 -1.92 -0.03 0.00 0.02 0.00 0.00 34.50 32.40 2wr4 s PRO 89 CO -0.06 -1.38 1.00 0.00 -0.33 0.00 0.00 177.00 176.23 2wr4 h THR 90 N 0.79 0.14 -3.65 0.99 1.03 -1.73 -3.44 112.91 107.04 2wr4 h THR 90 Ca -0.51 -1.27 -0.67 0.00 -0.01 0.00 0.00 66.41 63.96 2wr4 h THR 90 Cb 1.32 1.65 -0.38 0.00 -1.07 0.00 0.00 68.15 69.66 2wr4 h THR 90 CO 0.54 0.08 -0.68 0.20 -0.01 0.00 0.00 175.52 175.65 2wr4 s ASN 91 N -5.49 4.88 0.00 0.00 0.01 -0.64 -4.99 114.94 108.71 2wr4 s ASN 91 Ca -0.01 -2.10 0.00 0.00 -0.71 0.00 0.00 52.86 50.04 2wr4 s ASN 91 Cb 0.09 -1.68 0.00 0.00 0.41 0.00 0.00 41.25 40.08 2wr4 s ASN 91 CO 0.79 -0.41 0.00 0.61 -1.51 0.00 0.00 177.10 176.58 2wr4 n GLY 92 N 4.34 1.89 3.53 0.66 0.00 -1.26 -1.35 105.19 113.01 2wr4 n GLY 92 Ca 0.02 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 3.85 0.16 0.99 1.43 -1.26 -4.05 118.68 119.81 2wr4 s LEU 93 Ca 0.00 -1.47 -0.12 0.00 -1.03 0.00 0.00 54.13 51.50 2wr4 s LEU 93 Cb 0.00 -2.52 0.05 0.00 0.03 0.00 0.00 46.19 43.75 2wr4 s LEU 93 CO 0.00 -1.44 1.69 0.00 0.23 0.00 0.00 176.35 176.84 2wr4 s TYR 95 N -5.43 3.45 0.67 0.00 5.04 -1.26 -4.64 117.35 115.19 2wr4 s TYR 95 Ca -0.13 1.25 -0.17 0.00 -2.44 0.00 0.00 57.07 55.58 2wr4 s TYR 95 Cb 0.12 -2.97 0.01 0.00 0.35 0.00 0.00 41.96 39.47 2wr4 s TYR 95 CO 0.80 -0.17 1.23 -1.25 -1.34 0.00 0.00 175.55 174.82 2wr4 s PRO 96 N 1.85 2.47 0.00 4.97 0.05 -1.25 -4.76 135.00 138.33 2wr4 s PRO 96 Ca 0.38 1.87 0.00 0.00 0.05 0.00 0.00 61.00 63.30 2wr4 s PRO 96 Cb -0.17 -1.86 0.00 0.00 0.05 0.00 0.00 34.50 32.52 2wr4 s PRO 96 CO 0.14 -1.61 0.00 0.41 0.05 0.00 0.00 177.00 175.99 2wr4 n GLY 97 N 0.57 -0.54 3.17 0.56 0.00 -1.26 -0.70 105.19 107.00 2wr4 n GLY 97 Ca 0.14 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 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 0.29 -0.21 1.61 1.04 -0.59 -4.91 113.70 106.93 2wr4 s SER 98 Ca 0.00 -1.17 0.01 0.00 0.48 0.00 0.00 55.95 55.27 2wr4 s SER 98 Cb 0.00 0.31 0.05 0.00 0.10 0.00 0.00 66.02 66.48 2wr4 s SER 98 CO 0.00 -0.74 -0.08 0.12 0.98 0.00 0.00 173.24 173.52 2wr4 s PHE 99 N -4.04 2.39 0.25 5.02 5.36 -1.26 -1.50 117.98 124.19 2wr4 s PHE 99 Ca 0.23 -1.64 -0.31 0.00 -0.96 0.00 0.00 56.93 54.25 2wr4 s PHE 99 Cb 0.07 -1.60 -0.12 0.00 -0.34 0.00 0.00 43.02 41.03 2wr4 s PHE 99 CO 0.01 -0.75 1.61 0.09 -1.46 0.00 0.00 175.22 174.72 2wr4 n ASN 100 N 4.68 3.69 -4.02 6.13 3.02 0.09 -2.79 115.26 126.08 2wr4 n ASN 100 Ca -0.13 1.12 -0.27 0.00 -0.03 0.00 0.00 54.58 55.26 2wr4 n ASN 100 Cb 0.46 -1.55 -0.03 0.00 -0.61 0.00 0.00 39.78 38.05 2wr4 n ASN 100 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2wr4 n ASP 101 N 2.80 -0.67 -0.19 6.41 8.00 -1.26 -4.70 116.55 126.94 2wr4 n ASP 101 Ca 0.12 -1.03 -0.07 0.00 0.71 0.00 0.00 54.79 54.52 2wr4 n ASP 101 Cb 0.35 -2.91 0.03 0.00 -0.02 0.00 0.00 41.12 38.57 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 -1.79 0.75 -0.41 1.24 3.20 -1.93 -2.49 116.97 115.54 2wr4 h TYR 102 Ca -0.63 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.14 2wr4 h TYR 102 Cb 1.38 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.39 2wr4 h TYR 102 CO 0.51 0.53 -0.12 0.93 -1.64 0.00 0.00 178.16 178.37 2wr4 h GLU 103 N 0.74 0.74 -0.36 1.82 3.07 -1.89 0.15 114.58 118.85 2wr4 h GLU 103 Ca 0.20 -0.25 -0.04 0.00 -0.50 0.00 0.00 59.36 58.77 2wr4 h GLU 103 Cb 0.02 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 2wr4 h GLU 103 CO -0.03 0.84 0.06 0.93 -1.40 0.00 0.00 179.01 179.40 2wr4 h GLU 104 N 0.67 0.54 -0.08 2.33 4.39 -1.89 0.48 114.58 121.01 2wr4 h GLU 104 Ca 0.11 -0.10 -0.19 0.00 0.34 0.00 0.00 59.36 59.53 2wr4 h GLU 104 Cb 0.60 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 29.17 2wr4 h GLU 104 CO 0.04 0.52 -0.68 1.25 -1.16 0.00 0.00 179.01 178.98 2wr4 h LEU 105 N 0.52 0.74 -0.41 1.33 5.85 -0.91 -2.34 115.31 120.09 2wr4 h LEU 105 Ca 0.12 -0.67 0.01 0.00 0.84 0.00 0.00 57.88 58.18 2wr4 h LEU 105 Cb 0.25 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 2wr4 h LEU 105 CO 0.00 1.30 0.25 0.11 -0.34 0.00 0.00 178.44 179.77 2wr4 h LYS 106 N 0.24 0.50 -0.97 1.25 1.57 -0.73 -2.48 116.57 115.95 2wr4 h LYS 106 Ca -0.06 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.75 2wr4 h LYS 106 Cb 1.34 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 33.47 2wr4 h LYS 106 CO 0.14 0.33 0.62 1.25 -0.57 0.00 0.00 179.45 181.22 2wr4 h HIS 107 N 0.52 1.16 -0.35 -1.35 2.76 -0.80 -1.29 115.15 115.79 2wr4 h HIS 107 Ca 0.16 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.41 2wr4 h HIS 107 Cb -0.01 -0.38 -0.05 0.00 1.55 0.00 0.00 27.41 28.52 2wr4 h HIS 107 CO -0.06 0.62 0.07 1.25 -1.30 0.00 0.00 177.93 178.51 2wr4 h LEU 108 N 1.15 0.02 -0.04 0.26 6.46 -1.11 -2.71 115.31 119.35 2wr4 h LEU 108 Ca 0.41 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 58.23 2wr4 h LEU 108 Cb 0.13 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.13 2wr4 h LEU 108 CO -0.16 0.05 0.00 0.18 -0.62 0.00 0.00 178.44 177.89 2wr4 n LEU 109 N -5.09 0.06 -0.02 2.25 4.77 -0.52 -4.14 117.00 114.31 2wr4 n LEU 109 Ca 0.01 -0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 55.86 2wr4 n LEU 109 Cb 0.15 -0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.19 2wr4 n LEU 109 CO 0.25 0.01 0.90 0.00 -1.33 0.00 0.00 177.39 177.21 2wr4 h THR 110 N 0.08 1.07 -4.17 -5.08 1.03 -1.12 -3.42 112.91 101.31 2wr4 h THR 110 Ca 0.00 -0.17 -0.48 0.00 -0.01 0.00 0.00 66.41 65.75 2wr4 h THR 110 Cb 0.02 0.96 -0.29 0.00 -1.07 0.00 0.00 68.15 67.76 2wr4 h THR 110 CO 0.00 0.06 -0.81 -0.55 -0.01 0.00 0.00 175.52 174.21 2wr4 s SER 111 N -5.36 1.61 0.00 0.00 0.15 -1.26 -3.74 113.70 105.10 2wr4 s SER 111 Ca -0.13 -0.25 -0.09 0.00 0.70 0.00 0.00 55.95 56.17 2wr4 s SER 111 Cb 0.07 -0.20 0.01 0.00 -1.71 0.00 0.00 66.02 64.19 2wr4 s SER 111 CO 0.68 0.16 0.19 -0.69 1.20 0.00 0.00 173.24 174.78 2wr4 s VAL 112 N -0.29 0.08 0.00 4.45 1.01 -1.20 -4.84 120.40 119.61 2wr4 s VAL 112 Ca 0.05 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2wr4 s VAL 112 Cb -0.06 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.77 2wr4 s VAL 112 CO -0.00 -0.37 0.70 0.35 0.00 0.00 0.00 175.10 175.77 2wr4 n THR 113 N 1.28 0.00 -1.61 3.92 -2.24 0.21 -4.53 114.28 111.30 2wr4 n THR 113 Ca -0.22 1.20 -0.01 0.00 -2.27 0.00 0.00 64.05 62.75 2wr4 n THR 113 Cb 0.56 -2.14 -0.01 0.00 -2.10 0.00 0.00 70.33 66.64 2wr4 n THR 113 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2wr4 n HIS 114 N -1.17 -1.18 -3.64 4.78 -0.00 -0.60 -4.61 115.22 108.79 2wr4 n HIS 114 Ca 0.00 0.69 -0.08 0.00 -0.00 0.00 0.00 57.72 58.34 2wr4 n HIS 114 Cb 0.00 -2.25 -0.07 0.00 -0.00 0.00 0.00 29.99 27.67 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 -0.16 -1.03 -0.19 1.57 2.19 -0.35 -2.20 117.98 117.80 2wr4 s PHE 115 Ca -0.05 2.08 -0.08 0.00 0.33 0.00 0.00 56.93 59.22 2wr4 s PHE 115 Cb 0.00 0.59 0.08 0.00 -1.31 0.00 0.00 43.02 42.39 2wr4 s PHE 115 CO 0.13 -0.51 0.42 -2.00 1.83 0.00 0.00 175.22 175.09 2wr4 s GLU 116 N 1.53 0.35 -0.02 10.12 2.12 -0.43 -4.50 118.70 127.87 2wr4 s GLU 116 Ca -0.09 0.97 -0.30 0.00 0.36 0.00 0.00 54.97 55.91 2wr4 s GLU 116 Cb -0.05 0.23 -0.05 0.00 0.26 0.00 0.00 34.13 34.53 2wr4 s GLU 116 CO -0.18 -0.22 1.31 0.21 -0.54 0.00 0.00 175.26 175.83 2wr4 s LYS 117 N 2.26 4.32 -0.04 4.30 2.20 -1.26 -1.08 119.74 130.43 2wr4 s LYS 117 Ca -0.04 1.83 0.06 0.00 -0.36 0.00 0.00 55.97 57.47 2wr4 s LYS 117 Cb -0.11 -3.55 -0.01 0.00 -1.51 0.00 0.00 37.83 32.65 2wr4 s LYS 117 CO -0.13 -0.51 -0.24 0.42 -0.36 0.00 0.00 175.35 174.53 2wr4 s ILE 118 N 2.25 1.94 -0.84 5.43 1.01 0.09 -4.97 121.20 126.11 2wr4 s ILE 118 Ca 0.60 -1.02 -0.23 0.00 0.00 0.00 0.00 60.65 60.00 2wr4 s ILE 118 Cb -0.29 -1.63 0.07 0.00 0.01 0.00 0.00 42.46 40.62 2wr4 s ILE 118 CO 0.25 0.54 1.21 -0.75 0.00 0.00 0.00 174.94 176.19 2wr4 s LYS 119 N -0.29 3.38 0.06 2.79 2.20 -1.26 -1.03 119.74 125.59 2wr4 s LYS 119 Ca 0.01 -1.02 0.20 0.00 -0.36 0.00 0.00 55.97 54.80 2wr4 s LYS 119 Cb -0.12 -4.70 -0.15 0.00 -1.51 0.00 0.00 37.83 31.35 2wr4 s LYS 119 CO 0.02 -1.99 0.75 0.44 -0.36 0.00 0.00 175.35 174.21 2wr4 n ILE 120 N 6.18 0.82 -3.23 5.43 -5.35 -0.41 -4.61 119.36 118.19 2wr4 n ILE 120 Ca 0.15 -0.63 -0.22 0.00 -0.27 0.00 0.00 62.75 61.77 2wr4 n ILE 120 Cb 0.49 -0.46 -0.07 0.00 -1.74 0.00 0.00 39.64 37.85 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 -2.70 -0.85 -4.70 7.28 4.77 -0.52 -4.91 117.00 115.38 2wr4 n LEU 121 Ca -0.08 -4.21 -0.44 0.00 -0.03 0.00 0.00 56.01 51.26 2wr4 n LEU 121 Cb 0.74 0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 42.41 2wr4 n LEU 121 CO 0.43 1.93 1.16 -2.65 -1.33 0.00 0.00 177.39 176.92 2wr4 n PRO 122 N 2.47 2.36 -0.26 3.23 -0.02 -1.26 -4.44 135.00 137.07 2wr4 n PRO 122 Ca 0.25 0.84 0.06 0.00 -2.02 0.00 0.00 63.50 62.64 2wr4 n PRO 122 Cb 0.51 -2.58 0.20 0.00 -0.02 0.00 0.00 33.50 31.61 2wr4 n PRO 122 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wr4 h ARG 123 N 4.98 0.40 -0.00 -0.52 3.08 -1.95 -2.44 114.38 117.93 2wr4 h ARG 123 Ca -0.45 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2wr4 h ARG 123 Cb 1.25 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.21 2wr4 h ARG 123 CO 0.81 0.27 0.10 0.38 -1.07 0.00 0.00 179.97 180.46 2wr4 h ASP 124 N 0.42 0.00 0.23 7.04 -0.00 -2.02 0.38 116.42 122.46 2wr4 h ASP 124 Ca 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.46 2wr4 h ASP 124 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.01 2wr4 h ASP 124 CO -0.43 0.00 -0.07 0.00 -0.00 0.00 0.00 179.24 178.74 2wr4 n GLN 125 N -3.04 0.91 -1.81 4.15 6.02 -0.92 -4.13 117.38 118.56 2wr4 n GLN 125 Ca -0.03 -0.30 -0.41 0.00 -0.01 0.00 0.00 57.00 56.25 2wr4 n GLN 125 Cb 0.16 -1.49 -0.01 0.00 1.02 0.00 0.00 30.24 29.92 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 -0.78 3.09 0.19 1.08 7.02 0.12 -4.75 117.44 123.41 2wr4 n TRP 126 Ca 0.17 -2.94 0.05 0.00 -1.02 0.00 0.00 57.50 53.76 2wr4 n TRP 126 Cb 0.25 -2.34 0.39 0.00 -2.42 0.00 0.00 31.31 27.19 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 3.62 0.99 -0.33 -0.99 1.03 -1.83 -3.02 112.91 112.37 2wr4 h THR 127 Ca 0.60 -1.35 0.00 0.00 -0.01 0.00 0.00 66.41 65.66 2wr4 h THR 127 Cb 0.54 1.79 0.00 0.00 -1.07 0.00 0.00 68.15 69.40 2wr4 h THR 127 CO 1.77 0.35 0.00 0.00 -0.01 0.00 0.00 175.52 177.63 2wr4 n GLN 128 N -3.73 2.19 -4.26 0.00 6.02 -1.26 -4.94 117.38 111.39 2wr4 n GLN 128 Ca -0.01 -1.80 -0.14 0.00 -0.01 0.00 0.00 57.00 55.04 2wr4 n GLN 128 Cb 0.45 -1.45 -0.10 0.00 1.02 0.00 0.00 30.24 30.15 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 -1.58 1.30 0.18 1.08 3.76 -1.14 -4.55 115.29 114.34 2wr4 s HIS 129 Ca 0.36 -0.98 -0.19 0.00 -0.15 0.00 0.00 55.06 54.10 2wr4 s HIS 129 Cb 0.20 -0.74 -0.08 0.00 1.11 0.00 0.00 32.58 33.07 2wr4 s HIS 129 CO 0.28 -0.15 0.67 0.99 -0.85 0.00 0.00 174.74 175.68 2wr4 s THR 130 N -3.58 4.64 0.00 1.30 2.01 0.32 -4.86 115.64 115.47 2wr4 s THR 130 Ca 0.25 1.22 0.00 0.00 0.31 0.00 0.00 61.69 63.47 2wr4 s THR 130 Cb 0.06 -3.87 0.00 0.00 0.01 0.00 0.00 72.50 68.70 2wr4 s THR 130 CO 0.05 0.31 0.00 0.41 -0.69 0.00 0.00 174.62 174.70 2wr4 n THR 131 N 1.00 0.00 1.17 -0.82 -1.04 -1.26 -1.48 114.28 111.84 2wr4 n THR 131 Ca -0.05 -0.08 0.10 0.00 -2.04 0.00 0.00 64.05 61.98 2wr4 n THR 131 Cb 0.51 0.50 0.34 0.00 -1.82 0.00 0.00 70.33 69.86 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 -0.84 0.25 -1.76 12.58 -2.24 -1.26 -4.51 114.28 116.49 2wr4 n THR 132 Ca 0.00 -0.37 -0.42 0.00 -2.27 0.00 0.00 64.05 60.99 2wr4 n THR 132 Cb 0.00 0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 68.55 2wr4 n THR 132 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2wr4 s GLY 133 N -1.48 1.37 0.00 3.38 0.00 -1.26 -4.99 107.32 104.34 2wr4 s GLY 133 Ca 0.31 1.56 0.00 0.00 0.00 0.00 0.00 44.72 46.59 2wr4 s GLY 133 CO 0.25 2.80 0.00 0.61 0.00 0.00 0.00 173.10 176.76 2wr4 n GLY 134 N 3.73 4.77 3.10 0.20 0.00 -1.26 -4.62 105.19 111.10 2wr4 n GLY 134 Ca 0.15 -1.72 -0.11 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.24 -0.02 0.63 1.61 0.15 0.18 -4.84 113.70 111.16 2wr4 s SER 135 Ca 0.00 -0.09 0.41 0.00 0.70 0.00 0.00 55.95 56.97 2wr4 s SER 135 Cb 0.00 0.24 2.13 0.00 -1.71 0.00 0.00 66.02 66.68 2wr4 s SER 135 CO 0.00 -0.31 2.27 -0.09 1.20 0.00 0.00 173.24 176.31 2wr4 h ARG 136 N 4.58 0.00 0.00 5.44 2.43 -1.91 -1.49 114.38 123.43 2wr4 h ARG 136 Ca -0.30 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.84 2wr4 h ARG 136 Cb 1.19 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.74 2wr4 h ARG 136 CO 0.40 0.01 -0.14 0.00 -1.51 0.00 0.00 179.97 178.73 2wr4 h ALA 137 N 1.99 1.76 -0.97 2.80 0.00 -1.88 -3.01 119.26 119.95 2wr4 h ALA 137 Ca -0.00 -0.13 -0.55 0.00 0.00 0.00 0.00 54.91 54.23 2wr4 h ALA 137 Cb 0.13 -0.02 -0.43 0.00 0.00 0.00 0.00 17.79 17.47 2wr4 h ALA 137 CO 0.00 0.17 -0.80 0.00 0.00 0.00 0.00 179.25 178.62 2wr4 s ALA 139 N -3.58 3.30 -0.49 0.00 0.00 -1.14 -2.79 121.76 117.07 2wr4 s ALA 139 Ca 0.50 0.64 -0.14 0.00 0.00 0.00 0.00 51.96 52.96 2wr4 s ALA 139 Cb 0.41 -3.27 0.10 0.00 0.00 0.00 0.00 23.12 20.36 2wr4 s ALA 139 CO -0.03 0.02 0.40 0.14 0.00 0.00 0.00 175.76 176.30 2wr4 s VAL 140 N -0.51 4.92 0.00 0.00 -7.23 -0.30 -4.85 120.40 112.43 2wr4 s VAL 140 Ca 0.45 -1.38 0.00 0.00 -1.81 0.00 0.00 61.98 59.24 2wr4 s VAL 140 Cb -0.26 -4.07 0.00 0.00 0.56 0.00 0.00 36.38 32.62 2wr4 s VAL 140 CO 0.32 -0.70 0.00 -1.54 -0.31 0.00 0.00 175.10 172.87 2wr4 n SER 141 N 5.13 0.00 -2.67 4.85 3.41 -1.26 -1.75 113.62 121.33 2wr4 n SER 141 Ca -0.12 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.47 2wr4 n SER 141 Cb 0.42 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.41 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 0.05 2.20 3.91 5.00 0.00 -1.26 -5.13 105.19 109.96 2wr4 n GLY 142 Ca 0.00 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.52 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 -3.68 6.43 0.10 1.61 -0.87 -0.72 -5.00 114.94 112.81 2wr4 s ASN 143 Ca 0.30 0.47 -0.35 0.00 -1.57 0.00 0.00 52.86 51.71 2wr4 s ASN 143 Cb 0.33 -2.04 -0.14 0.00 -0.02 0.00 0.00 41.25 39.38 2wr4 s ASN 143 CO -0.04 0.05 1.57 -2.65 -2.57 0.00 0.00 177.10 173.46 2wr4 n PRO 144 N -0.07 1.91 0.00 -0.60 -0.02 -1.26 -1.15 135.00 133.81 2wr4 n PRO 144 Ca -0.04 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2wr4 n PRO 144 Cb 0.52 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 2wr4 n PRO 144 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2wr4 n SER 145 N 3.67 0.63 -3.64 2.55 2.88 -1.04 -4.58 113.62 114.09 2wr4 n SER 145 Ca 0.18 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.71 2wr4 n SER 145 Cb 0.26 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.71 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 0.86 -0.11 -0.02 0.66 5.36 -1.23 0.47 117.98 123.98 2wr4 s PHE 146 Ca 0.00 -0.04 -0.36 0.00 -0.96 0.00 0.00 56.93 55.57 2wr4 s PHE 146 Cb 0.00 0.56 -0.14 0.00 -0.34 0.00 0.00 43.02 43.10 2wr4 s PHE 146 CO 0.00 -0.43 1.65 1.19 -1.46 0.00 0.00 175.22 176.17 2wr4 n PHE 147 N -0.40 2.09 0.28 10.12 3.01 -1.26 -4.64 117.46 126.67 2wr4 n PHE 147 Ca -0.06 0.31 0.17 0.00 1.01 0.00 0.00 57.45 58.88 2wr4 n PHE 147 Cb 0.61 -2.52 0.73 0.00 -0.01 0.00 0.00 39.48 38.30 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 6.90 0.00 -0.02 -1.08 3.08 -0.62 -2.69 114.38 119.95 2wr4 h ARG 148 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2wr4 h ARG 148 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 2wr4 h ARG 148 CO 0.90 0.02 -0.19 0.09 -1.07 0.00 0.00 179.97 179.72 2wr4 n ASN 149 N -3.13 1.94 -4.60 7.04 3.02 -0.42 -4.95 115.26 114.16 2wr4 n ASN 149 Ca 0.00 -1.50 -0.25 0.00 -0.03 0.00 0.00 54.58 52.80 2wr4 n ASN 149 Cb 0.29 0.16 -0.09 0.00 -0.61 0.00 0.00 39.78 39.52 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 -2.24 1.99 -0.12 3.52 -1.94 -1.02 -1.05 119.30 118.45 2wr4 s MET 150 Ca 0.27 -1.81 -0.00 0.00 -1.71 0.00 0.00 55.69 52.44 2wr4 s MET 150 Cb 0.20 -1.86 0.02 0.00 2.01 0.00 0.00 34.83 35.20 2wr4 s MET 150 CO 0.43 0.14 -0.09 0.08 -0.01 0.00 0.00 175.02 175.57 2wr4 s VAL 151 N -2.54 1.13 -0.99 -6.03 1.01 0.12 -4.80 120.40 108.31 2wr4 s VAL 151 Ca 0.34 -0.36 -0.18 0.00 0.00 0.00 0.00 61.98 61.77 2wr4 s VAL 151 Cb 0.01 -1.12 0.13 0.00 0.00 0.00 0.00 36.38 35.39 2wr4 s VAL 151 CO 0.18 0.38 1.22 0.86 0.00 0.00 0.00 175.10 177.75 2wr4 s TRP 152 N 1.60 3.11 -0.01 5.22 -0.11 -1.26 -1.47 118.94 126.02 2wr4 s TRP 152 Ca 0.04 -1.46 -0.30 0.00 1.22 0.00 0.00 56.10 55.60 2wr4 s TRP 152 Cb -0.13 -4.34 -0.07 0.00 -1.50 0.00 0.00 33.47 27.43 2wr4 s TRP 152 CO -0.08 -1.53 1.85 -0.51 -4.62 0.00 0.00 176.95 172.07 2wr4 s LEU 153 N 2.77 4.36 0.41 5.86 1.43 -1.22 -4.43 118.68 127.86 2wr4 s LEU 153 Ca 0.36 2.47 0.03 0.00 -1.03 0.00 0.00 54.13 55.96 2wr4 s LEU 153 Cb -0.04 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 2wr4 s LEU 153 CO -0.08 -1.04 0.07 0.42 0.23 0.00 0.00 176.35 175.95 2wr4 s THR 154 N 4.43 1.04 0.56 5.49 -4.23 -0.55 -4.63 115.64 117.75 2wr4 s THR 154 Ca 0.83 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 59.15 2wr4 s THR 154 Cb -0.39 -2.49 -0.05 0.00 1.34 0.00 0.00 72.50 70.91 2wr4 s THR 154 CO 0.37 0.00 1.13 -1.59 -0.54 0.00 0.00 174.62 173.99 2wr4 s LYS 155 N -3.80 3.26 -0.33 3.99 -2.85 -0.46 -0.52 119.74 119.02 2wr4 s LYS 155 Ca 0.24 1.59 -0.04 0.00 -1.00 0.00 0.00 55.97 56.77 2wr4 s LYS 155 Cb 0.05 -1.99 0.06 0.00 -2.06 0.00 0.00 37.83 33.88 2wr4 s LYS 155 CO 0.12 -0.92 0.07 0.21 0.10 0.00 0.00 175.35 174.93 2wr4 s LYS 156 N -3.40 2.43 7.33 1.78 2.20 0.14 -4.06 119.74 126.15 2wr4 s LYS 156 Ca 0.72 -1.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.00 2wr4 s LYS 156 Cb -0.24 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 2wr4 s LYS 156 CO 0.29 -0.71 0.00 0.41 -0.36 0.00 0.00 175.35 174.98 2wr4 n GLY 157 N 4.69 2.01 1.17 5.54 0.00 -1.26 -2.59 105.19 114.75 2wr4 n GLY 157 Ca -0.11 -0.43 0.08 0.00 0.00 0.00 0.00 46.02 45.56 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 7.91 4.31 -4.33 1.61 3.41 -1.26 -5.01 113.62 120.25 2wr4 n SER 158 Ca 0.00 -2.83 -0.30 0.00 -0.26 0.00 0.00 58.87 55.48 2wr4 n SER 158 Cb 0.00 -0.55 -0.15 0.00 -0.26 0.00 0.00 64.21 63.26 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 -1.47 3.09 -0.37 4.04 0.02 -1.07 -4.93 114.94 114.26 2wr4 s ASN 159 Ca 0.44 -0.58 0.01 0.00 -1.02 0.00 0.00 52.86 51.71 2wr4 s ASN 159 Cb 0.33 -0.28 0.15 0.00 0.02 0.00 0.00 41.25 41.47 2wr4 s ASN 159 CO 0.13 0.25 0.25 -0.47 0.02 0.00 0.00 177.10 177.28 2wr4 s TYR 160 N -0.80 0.79 1.20 2.20 5.04 -1.26 -0.68 117.35 123.83 2wr4 s TYR 160 Ca 0.11 -1.80 -0.14 0.00 -2.44 0.00 0.00 57.07 52.81 2wr4 s TYR 160 Cb -0.10 -0.89 0.30 0.00 0.35 0.00 0.00 41.96 41.62 2wr4 s TYR 160 CO 0.02 -0.83 1.02 -2.14 -1.34 0.00 0.00 175.55 172.27 2wr4 s PRO 161 N 0.79 -1.19 -0.06 4.97 0.02 -1.26 -4.87 135.00 133.40 2wr4 s PRO 161 Ca 0.22 0.74 -0.30 0.00 0.02 0.00 0.00 61.00 61.69 2wr4 s PRO 161 Cb -0.15 -1.53 -0.06 0.00 0.02 0.00 0.00 34.50 32.78 2wr4 s PRO 161 CO -0.05 -3.88 1.68 0.08 -0.33 0.00 0.00 177.00 174.50 2wr4 s VAL 162 N -2.45 3.55 -0.10 3.83 1.01 -1.26 -4.83 120.40 120.14 2wr4 s VAL 162 Ca 0.69 0.66 -0.28 0.00 0.00 0.00 0.00 61.98 63.04 2wr4 s VAL 162 Cb -0.24 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 2wr4 s VAL 162 CO 0.64 -0.07 0.94 0.00 0.00 0.00 0.00 175.10 176.61 2wr4 s ALA 163 N 4.17 3.39 -0.23 5.51 0.00 -0.13 -4.93 121.76 129.54 2wr4 s ALA 163 Ca 0.75 0.30 -0.03 0.00 0.00 0.00 0.00 51.96 52.98 2wr4 s ALA 163 Cb -0.33 -3.34 0.12 0.00 0.00 0.00 0.00 23.12 19.57 2wr4 s ALA 163 CO 0.30 -0.52 0.34 0.21 0.00 0.00 0.00 175.76 176.09 2wr4 s LYS 164 N 1.80 0.30 0.05 0.00 2.20 -1.26 -1.15 119.74 121.68 2wr4 s LYS 164 Ca 0.46 0.46 -0.03 0.00 -0.36 0.00 0.00 55.97 56.50 2wr4 s LYS 164 Cb -0.18 -0.64 -0.03 0.00 -1.51 0.00 0.00 37.83 35.47 2wr4 s LYS 164 CO 0.18 -0.63 0.02 1.03 -0.36 0.00 0.00 175.35 175.59 2wr4 s ARG 165 N 2.49 0.59 0.09 4.03 0.52 -1.02 -5.02 118.95 120.63 2wr4 s ARG 165 Ca 0.11 -1.01 0.02 0.00 -0.52 0.00 0.00 55.73 54.33 2wr4 s ARG 165 Cb -0.15 0.22 -0.04 0.00 0.52 0.00 0.00 34.95 35.49 2wr4 s ARG 165 CO -0.15 -0.13 -0.07 -1.12 0.02 0.00 0.00 175.30 173.86 2wr4 s SER 166 N -2.55 1.12 -0.03 0.23 0.01 -1.26 -0.80 113.70 110.41 2wr4 s SER 166 Ca 0.01 -0.93 -0.01 0.00 1.31 0.00 0.00 55.95 56.33 2wr4 s SER 166 Cb 0.03 0.08 0.03 0.00 0.21 0.00 0.00 66.02 66.38 2wr4 s SER 166 CO -0.08 -0.42 0.06 -0.47 0.41 0.00 0.00 173.24 172.75 2wr4 s TYR 167 N -3.24 -0.03 -0.23 2.43 5.04 -0.79 -4.98 117.35 115.54 2wr4 s TYR 167 Ca 0.08 0.23 -0.11 0.00 -2.44 0.00 0.00 57.07 54.83 2wr4 s TYR 167 Cb 0.03 -0.18 -0.05 0.00 0.35 0.00 0.00 41.96 42.11 2wr4 s TYR 167 CO -0.04 -0.11 0.20 1.21 -1.34 0.00 0.00 175.55 175.47 2wr4 s ASN 168 N 1.04 6.17 -1.06 4.32 3.84 -1.26 -1.37 114.94 126.62 2wr4 s ASN 168 Ca -0.08 0.18 -0.23 0.00 0.21 0.00 0.00 52.86 52.94 2wr4 s ASN 168 Cb -0.12 -2.13 -0.00 0.00 -0.55 0.00 0.00 41.25 38.45 2wr4 s ASN 168 CO -0.04 0.04 1.75 0.21 -2.79 0.00 0.00 177.10 176.27 2wr4 s ASN 169 N 1.06 5.87 -0.03 -4.21 2.47 0.42 -4.72 114.94 115.79 2wr4 s ASN 169 Ca 0.09 -1.43 0.17 0.00 0.42 0.00 0.00 52.86 52.12 2wr4 s ASN 169 Cb -0.14 -2.57 0.55 0.00 -1.45 0.00 0.00 41.25 37.65 2wr4 s ASN 169 CO 0.05 -2.12 1.46 0.35 -3.72 0.00 0.00 177.10 173.11 2wr4 n THR 170 N 7.28 1.05 1.44 -5.21 -2.24 -1.26 0.49 114.28 115.82 2wr4 n THR 170 Ca 0.40 -0.86 0.15 0.00 -2.27 0.00 0.00 64.05 61.47 2wr4 n THR 170 Cb 0.48 0.28 0.76 0.00 -2.10 0.00 0.00 70.33 69.75 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 1.14 0.00 0.00 3.42 3.41 -1.26 -4.88 113.62 115.45 2wr4 n SER 171 Ca 0.21 -0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 2wr4 n SER 171 Cb 0.59 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 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 1.23 1.93 3.19 5.00 0.00 -1.26 -5.00 105.19 110.28 2wr4 n GLY 172 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.48 0.95 0.41 1.61 2.02 -1.26 -5.02 118.70 116.93 2wr4 s GLU 173 Ca 0.00 -1.43 -0.27 0.00 0.02 0.00 0.00 54.97 53.30 2wr4 s GLU 173 Cb 0.00 -0.16 -0.10 0.00 0.10 0.00 0.00 34.13 33.98 2wr4 s GLU 173 CO 0.00 -0.10 1.46 -1.14 0.02 0.00 0.00 175.26 175.50 2wr4 s GLN 174 N -3.90 3.90 -0.11 1.61 0.74 -1.25 -4.55 119.66 116.10 2wr4 s GLN 174 Ca 0.18 2.50 0.00 0.00 0.05 0.00 0.00 55.36 58.10 2wr4 s GLN 174 Cb 0.06 -2.82 0.02 0.00 1.10 0.00 0.00 33.01 31.37 2wr4 s GLN 174 CO -0.01 -0.67 -0.10 1.41 -0.55 0.00 0.00 175.29 175.37 2wr4 s MET 175 N -2.27 1.77 0.00 1.67 -2.45 -0.62 -0.72 119.30 116.68 2wr4 s MET 175 Ca 0.57 -0.37 -0.30 0.00 -1.25 0.00 0.00 55.69 54.34 2wr4 s MET 175 Cb -0.45 -1.69 -0.04 0.00 1.25 0.00 0.00 34.83 33.90 2wr4 s MET 175 CO 0.60 -0.19 1.07 -1.17 1.05 0.00 0.00 175.02 176.38 2wr4 s LEU 176 N 1.42 4.35 -0.02 4.11 2.96 -0.03 0.58 118.68 132.05 2wr4 s LEU 176 Ca 0.01 1.78 0.03 0.00 -0.22 0.00 0.00 54.13 55.72 2wr4 s LEU 176 Cb -0.13 -3.57 -0.00 0.00 0.50 0.00 0.00 46.19 42.98 2wr4 s LEU 176 CO -0.06 -0.38 -0.10 -0.63 -1.32 0.00 0.00 176.35 173.86 2wr4 s ILE 177 N 1.25 0.87 -0.03 6.68 1.01 -0.22 -0.81 121.20 129.94 2wr4 s ILE 177 Ca 0.54 -0.43 0.06 0.00 0.00 0.00 0.00 60.65 60.82 2wr4 s ILE 177 Cb -0.24 -0.75 -0.01 0.00 0.01 0.00 0.00 42.46 41.47 2wr4 s ILE 177 CO 0.27 0.26 -0.22 -0.63 0.00 0.00 0.00 174.94 174.61 2wr4 s ILE 178 N -0.03 1.77 0.28 2.92 1.01 -1.26 -1.59 121.20 124.30 2wr4 s ILE 178 Ca 0.00 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.74 2wr4 s ILE 178 Cb -0.07 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 2wr4 s ILE 178 CO 0.00 0.50 0.15 -1.66 0.00 0.00 0.00 174.94 173.93 2wr4 s TRP 179 N -0.31 1.54 0.06 3.97 -2.14 -0.43 -3.75 118.94 117.87 2wr4 s TRP 179 Ca 0.03 -1.35 -0.08 0.00 2.66 0.00 0.00 56.10 57.36 2wr4 s TRP 179 Cb -0.11 -0.82 -0.00 0.00 -3.10 0.00 0.00 33.47 29.44 2wr4 s TRP 179 CO 0.01 -0.51 0.17 0.20 -2.66 0.00 0.00 176.95 174.16 2wr4 s GLY 180 N -3.34 0.09 -0.05 3.67 0.00 0.07 -0.62 107.32 107.14 2wr4 s GLY 180 Ca 0.37 -0.49 0.04 0.00 0.00 0.00 0.00 44.72 44.63 2wr4 s GLY 180 CO 0.16 -0.66 -0.17 -1.50 0.00 0.00 0.00 173.10 170.93 2wr4 s ILE 181 N -3.17 1.44 -0.15 0.90 2.07 -0.57 0.75 121.20 122.48 2wr4 s ILE 181 Ca -0.00 -0.70 -0.22 0.00 -1.41 0.00 0.00 60.65 58.31 2wr4 s ILE 181 Cb 0.02 -1.26 -0.03 0.00 0.13 0.00 0.00 42.46 41.32 2wr4 s ILE 181 CO -0.07 0.42 0.67 -2.28 -1.91 0.00 0.00 174.94 171.77 2wr4 s HIS 182 N 0.21 3.45 -0.48 3.50 5.65 0.36 -1.86 115.29 126.12 2wr4 s HIS 182 Ca -0.08 1.07 -0.11 0.00 0.25 0.00 0.00 55.06 56.19 2wr4 s HIS 182 Cb -0.13 -2.81 0.12 0.00 -1.18 0.00 0.00 32.58 28.57 2wr4 s HIS 182 CO 0.03 -0.08 0.37 0.71 -0.65 0.00 0.00 174.74 175.12 2wr4 s TYR 183 N 1.53 3.38 0.79 3.88 2.02 0.14 -4.76 117.35 124.34 2wr4 s TYR 183 Ca 0.32 -1.72 -0.12 0.00 -0.37 0.00 0.00 57.07 55.18 2wr4 s TYR 183 Cb -0.16 -3.52 0.07 0.00 -0.40 0.00 0.00 41.96 37.95 2wr4 s TYR 183 CO 0.13 -0.99 1.13 -2.14 -1.57 0.00 0.00 175.55 172.11 2wr4 s PRO 184 N 1.42 1.92 0.29 -1.71 0.02 -1.26 -0.11 135.00 135.57 2wr4 s PRO 184 Ca 0.05 1.44 0.15 0.00 0.02 0.00 0.00 61.00 62.66 2wr4 s PRO 184 Cb -0.27 -1.84 0.20 0.00 0.02 0.00 0.00 34.50 32.61 2wr4 s PRO 184 CO 0.00 -1.93 1.50 -0.97 -0.33 0.00 0.00 177.00 175.27 2wr4 h ASN 185 N -1.03 0.00 -4.83 2.53 -1.24 -1.82 -3.25 115.58 105.94 2wr4 h ASN 185 Ca -0.45 0.00 0.18 0.00 0.71 0.00 0.00 56.30 56.75 2wr4 h ASN 185 Cb 1.26 0.00 -0.14 0.00 0.73 0.00 0.00 38.32 40.17 2wr4 h ASN 185 CO 0.48 0.53 0.60 1.51 -1.29 0.00 0.00 177.43 179.26 2wr4 s ASP 186 N -6.48 -0.24 0.50 1.15 -4.77 -1.26 -3.97 116.67 101.60 2wr4 s ASP 186 Ca 0.03 -0.10 0.20 0.00 -3.30 0.00 0.00 52.55 49.38 2wr4 s ASP 186 Cb 0.09 0.32 1.26 0.00 -1.09 0.00 0.00 42.92 43.50 2wr4 s ASP 186 CO 0.74 -0.55 2.01 0.44 0.70 0.00 0.00 175.17 178.50 2wr4 h ASP 187 N 2.00 0.12 -0.07 2.11 3.32 -1.98 -2.08 116.42 119.84 2wr4 h ASP 187 Ca -0.21 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.79 2wr4 h ASP 187 Cb 1.22 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2wr4 h ASP 187 CO 0.28 0.07 -0.17 0.71 -1.72 0.00 0.00 179.24 178.40 2wr4 h THR 188 N 0.13 1.42 -0.93 0.35 1.35 -1.99 -2.56 112.91 110.68 2wr4 h THR 188 Ca 0.23 -1.51 0.17 0.00 -0.55 0.00 0.00 66.41 64.76 2wr4 h THR 188 Cb 0.74 2.22 -0.08 0.00 -1.73 0.00 0.00 68.15 69.31 2wr4 h THR 188 CO -0.03 0.42 0.60 -0.08 -0.25 0.00 0.00 175.52 176.18 2wr4 h GLU 189 N -0.24 0.61 0.02 4.72 4.81 -1.81 0.81 114.58 123.49 2wr4 h GLU 189 Ca -0.00 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2wr4 h GLU 189 Cb 0.77 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.02 2wr4 h GLU 189 CO 0.04 0.40 -0.01 0.37 -0.73 0.00 0.00 179.01 179.08 2wr4 h GLN 190 N 0.63 -0.02 -0.21 1.92 5.75 -1.44 -2.07 115.11 119.66 2wr4 h GLN 190 Ca 0.49 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.88 2wr4 h GLN 190 Cb 0.91 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.46 2wr4 h GLN 190 CO -0.24 0.02 -0.30 0.00 -2.65 0.00 0.00 178.83 175.66 2wr4 h ARG 191 N -0.06 0.57 -0.21 1.69 3.08 -0.70 0.30 114.38 119.05 2wr4 h ARG 191 Ca -0.00 -0.33 -0.07 0.00 0.07 0.00 0.00 59.98 59.65 2wr4 h ARG 191 Cb 0.05 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 2wr4 h ARG 191 CO 0.00 0.94 -0.16 0.00 -1.07 0.00 0.00 179.97 179.68 2wr4 h THR 192 N 0.25 1.22 0.14 2.04 1.03 -0.96 0.18 112.91 116.81 2wr4 h THR 192 Ca 0.02 -0.99 -0.20 0.00 -0.01 0.00 0.00 66.41 65.23 2wr4 h THR 192 Cb 0.88 1.24 0.02 0.00 -1.07 0.00 0.00 68.15 69.22 2wr4 h THR 192 CO 0.07 0.31 -0.92 -0.07 -0.01 0.00 0.00 175.52 174.90 2wr4 h LEU 193 N 0.33 0.46 0.00 0.00 4.07 -1.31 -3.43 115.31 115.42 2wr4 h LEU 193 Ca 0.06 -0.94 0.00 0.00 0.08 0.00 0.00 57.88 57.09 2wr4 h LEU 193 Cb 0.48 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.08 2wr4 h LEU 193 CO 0.03 1.43 -0.04 -1.22 -1.08 0.00 0.00 178.44 177.56 2wr4 n TYR 194 N -4.09 0.00 0.00 1.13 4.02 0.11 -1.36 117.16 116.96 2wr4 n TYR 194 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 2wr4 n TYR 194 Cb 0.84 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.16 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 -0.91 0.00 -2.05 -0.72 1.13 0.62 -4.55 117.38 110.91 2wr4 n GLN 195 Ca 0.00 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.77 2wr4 n GLN 195 Cb 0.00 0.00 0.17 0.00 0.11 0.00 0.00 30.24 30.52 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 0.00 3.37 0.00 1.08 0.02 -1.26 -4.73 114.94 113.41 2wr4 s ASN 196 Ca 0.00 0.17 0.00 0.00 -1.02 0.00 0.00 52.86 52.01 2wr4 s ASN 196 Cb 0.00 -0.28 0.00 0.00 0.02 0.00 0.00 41.25 40.99 2wr4 s ASN 196 CO 0.00 -2.56 0.00 0.52 0.02 0.00 0.00 177.10 175.08 2wr4 n VAL 197 N -3.59 0.00 -0.92 1.60 0.31 -1.26 -4.67 118.33 109.79 2wr4 n VAL 197 Ca 0.15 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.32 2wr4 n VAL 197 Cb 0.60 -0.19 0.02 0.00 -0.91 0.00 0.00 33.84 33.36 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 1.62 3.98 3.72 2.92 0.00 -1.26 -4.98 105.19 111.18 2wr4 n GLY 198 Ca 0.00 -1.09 -0.30 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.04 2.58 0.06 2.61 -4.23 -1.26 -5.03 115.64 108.32 2wr4 s THR 199 Ca 0.32 0.19 -0.26 0.00 -1.18 0.00 0.00 61.69 60.75 2wr4 s THR 199 Cb 0.24 -2.70 0.07 0.00 1.34 0.00 0.00 72.50 71.44 2wr4 s THR 199 CO -0.02 -0.25 0.62 -0.72 -0.54 0.00 0.00 174.62 173.71 2wr4 s TYR 200 N -2.97 -0.57 -0.07 3.99 -0.85 -1.26 -4.39 117.35 111.24 2wr4 s TYR 200 Ca 0.63 0.68 0.06 0.00 -0.52 0.00 0.00 57.07 57.92 2wr4 s TYR 200 Cb -0.18 0.47 -0.01 0.00 0.38 0.00 0.00 41.96 42.62 2wr4 s TYR 200 CO 0.57 -0.72 -0.25 0.08 -1.52 0.00 0.00 175.55 173.71 2wr4 s VAL 201 N -2.50 2.08 -0.11 -3.49 1.01 0.89 -2.11 120.40 116.17 2wr4 s VAL 201 Ca -0.05 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.89 2wr4 s VAL 201 Cb -0.01 -1.76 0.02 0.00 0.00 0.00 0.00 36.38 34.64 2wr4 s VAL 201 CO -0.02 0.57 -0.10 -0.55 0.00 0.00 0.00 175.10 175.00 2wr4 s SER 202 N -0.07 2.16 -0.05 3.32 0.15 0.17 -0.46 113.70 118.92 2wr4 s SER 202 Ca -0.06 -0.34 0.02 0.00 0.70 0.00 0.00 55.95 56.27 2wr4 s SER 202 Cb -0.15 -0.90 0.02 0.00 -1.71 0.00 0.00 66.02 63.28 2wr4 s SER 202 CO 0.05 -0.06 -0.08 -0.69 1.20 0.00 0.00 173.24 173.66 2wr4 s VAL 203 N 1.35 0.78 -0.02 4.45 1.01 -0.11 -0.90 120.40 126.96 2wr4 s VAL 203 Ca -0.01 -0.27 -0.05 0.00 0.00 0.00 0.00 61.98 61.65 2wr4 s VAL 203 Cb -0.14 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.49 2wr4 s VAL 203 CO -0.05 0.28 0.11 -0.83 0.00 0.00 0.00 175.10 174.61 2wr4 s GLY 204 N 0.80 -0.00 0.00 4.51 0.00 -0.95 -0.35 107.32 111.32 2wr4 s GLY 204 Ca -0.13 0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.66 2wr4 s GLY 204 CO 0.02 -0.02 0.00 -1.30 0.00 0.00 0.00 173.10 171.80 2wr4 n THR 205 N 2.26 0.00 -0.20 0.90 -2.24 0.18 -1.20 114.28 113.98 2wr4 n THR 205 Ca -0.18 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.61 2wr4 n THR 205 Cb 0.57 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.90 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 -0.26 0.00 3.42 0.02 -1.99 -3.30 113.55 111.44 2wr4 h SER 206 Ca 0.00 0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 2wr4 h SER 206 Cb 0.00 0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 2wr4 h SER 206 CO 0.00 -0.11 -1.31 0.35 -1.14 0.00 0.00 176.83 174.62 2wr4 n THR 207 N -5.27 0.06 -3.41 -2.27 -2.24 -1.26 -4.98 114.28 94.91 2wr4 n THR 207 Ca 0.09 -0.16 -0.38 0.00 -2.27 0.00 0.00 64.05 61.33 2wr4 n THR 207 Cb 0.35 0.17 -0.06 0.00 -2.10 0.00 0.00 70.33 68.70 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 -3.59 4.44 -0.24 3.22 2.96 -1.24 -5.06 118.68 119.17 2wr4 s LEU 208 Ca -0.02 0.99 -0.02 0.00 -0.22 0.00 0.00 54.13 54.86 2wr4 s LEU 208 Cb 0.04 -2.67 0.13 0.00 0.50 0.00 0.00 46.19 44.18 2wr4 s LEU 208 CO 0.26 0.24 0.34 0.21 -1.32 0.00 0.00 176.35 176.08 2wr4 s ASN 209 N -0.70 0.62 -0.06 3.68 2.47 -1.26 0.49 114.94 120.18 2wr4 s ASN 209 Ca 0.25 -0.01 -0.08 0.00 0.42 0.00 0.00 52.86 53.45 2wr4 s ASN 209 Cb -0.17 0.91 0.02 0.00 -1.45 0.00 0.00 41.25 40.56 2wr4 s ASN 209 CO 0.14 -0.32 0.20 -0.75 -3.72 0.00 0.00 177.10 172.65 2wr4 s LYS 210 N 2.48 0.31 -0.06 0.43 2.20 0.53 -5.01 119.74 120.62 2wr4 s LYS 210 Ca 0.11 0.12 -0.00 0.00 -0.36 0.00 0.00 55.97 55.84 2wr4 s LYS 210 Cb -0.15 0.14 0.03 0.00 -1.51 0.00 0.00 37.83 36.34 2wr4 s LYS 210 CO -0.18 -0.05 -0.02 0.50 -0.36 0.00 0.00 175.35 175.24 2wr4 s ARG 211 N -0.27 0.71 -0.05 4.03 3.52 -1.26 -0.94 118.95 124.69 2wr4 s ARG 211 Ca -0.04 0.01 0.06 0.00 -0.13 0.00 0.00 55.73 55.63 2wr4 s ARG 211 Cb -0.03 -0.91 -0.01 0.00 -1.56 0.00 0.00 34.95 32.44 2wr4 s ARG 211 CO 0.01 -0.21 -0.23 -1.12 -0.81 0.00 0.00 175.30 172.94 2wr4 s SER 212 N 1.50 2.81 -0.07 -2.12 0.01 0.39 -4.96 113.70 111.26 2wr4 s SER 212 Ca -0.02 -0.46 0.03 0.00 1.31 0.00 0.00 55.95 56.81 2wr4 s SER 212 Cb -0.13 -0.71 -0.02 0.00 0.21 0.00 0.00 66.02 65.37 2wr4 s SER 212 CO -0.03 0.23 -0.15 0.27 0.41 0.00 0.00 173.24 173.97 2wr4 s ILE 213 N -0.17 2.98 0.52 1.44 -0.00 -1.26 -0.07 121.20 124.63 2wr4 s ILE 213 Ca -0.02 -0.73 -0.21 0.00 -0.00 0.00 0.00 60.65 59.68 2wr4 s ILE 213 Cb -0.13 -2.19 -0.06 0.00 -0.00 0.00 0.00 42.46 40.09 2wr4 s ILE 213 CO 0.03 0.57 1.22 -2.84 -0.00 0.00 0.00 174.94 173.91 2wr4 s PRO 214 N -0.38 3.41 -0.36 0.37 0.02 -1.26 -5.01 135.00 131.79 2wr4 s PRO 214 Ca 0.04 1.88 -0.06 0.00 0.02 0.00 0.00 61.00 62.88 2wr4 s PRO 214 Cb -0.12 -2.23 0.06 0.00 0.02 0.00 0.00 34.50 32.22 2wr4 s PRO 214 CO 0.02 -0.86 0.14 -1.21 -0.33 0.00 0.00 177.00 174.75 2wr4 s GLU 215 N -2.93 2.50 -0.01 5.54 2.02 -1.26 -5.06 118.70 119.49 2wr4 s GLU 215 Ca 0.69 -1.34 -0.30 0.00 0.02 0.00 0.00 54.97 54.04 2wr4 s GLU 215 Cb -0.31 -3.50 -0.03 0.00 0.10 0.00 0.00 34.13 30.39 2wr4 s GLU 215 CO 0.37 -0.78 0.99 0.42 0.02 0.00 0.00 175.26 176.27 2wr4 s ILE 216 N 1.35 4.85 -0.21 -1.63 1.09 -1.26 -4.31 121.20 121.08 2wr4 s ILE 216 Ca 0.00 2.05 -0.29 0.00 -1.10 0.00 0.00 60.65 61.32 2wr4 s ILE 216 Cb -0.21 -4.32 0.13 0.00 -1.06 0.00 0.00 42.46 37.01 2wr4 s ILE 216 CO 0.01 0.14 1.05 0.00 -0.10 0.00 0.00 174.94 176.04 2wr4 s ALA 217 N 1.13 -1.97 0.15 9.38 0.00 -1.23 -5.01 121.76 124.22 2wr4 s ALA 217 Ca 0.52 1.69 -0.31 0.00 0.00 0.00 0.00 51.96 53.85 2wr4 s ALA 217 Cb -0.21 -1.00 -0.09 0.00 0.00 0.00 0.00 23.12 21.82 2wr4 s ALA 217 CO 0.27 -0.28 1.45 0.99 0.00 0.00 0.00 175.76 178.19 2wr4 s THR 218 N -0.71 3.03 0.04 0.00 2.01 -1.25 -4.63 115.64 114.11 2wr4 s THR 218 Ca 0.01 0.75 0.01 0.00 0.31 0.00 0.00 61.69 62.76 2wr4 s THR 218 Cb -0.02 -3.48 -0.02 0.00 0.01 0.00 0.00 72.50 68.99 2wr4 s THR 218 CO -0.02 0.07 -0.05 -0.13 -0.69 0.00 0.00 174.62 173.80 2wr4 s ARG 219 N 0.93 0.44 0.72 4.92 0.52 -1.26 -5.14 118.95 120.09 2wr4 s ARG 219 Ca 0.65 -0.76 -0.16 0.00 -0.52 0.00 0.00 55.73 54.94 2wr4 s ARG 219 Cb -0.39 -0.04 -0.01 0.00 0.52 0.00 0.00 34.95 35.03 2wr4 s ARG 219 CO 0.32 -0.02 0.85 -2.30 0.02 0.00 0.00 175.30 174.17 2wr4 n PRO 220 N 1.31 0.46 -3.06 3.54 -0.02 -1.26 -4.63 135.00 131.34 2wr4 n PRO 220 Ca -0.22 0.21 -0.40 0.00 -2.02 0.00 0.00 63.50 61.07 2wr4 n PRO 220 Cb 0.56 -2.11 -0.05 0.00 -0.02 0.00 0.00 33.50 31.87 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 -3.16 4.43 -0.11 -0.52 1.02 -1.26 -4.51 119.74 115.64 2wr4 s LYS 221 Ca 0.71 0.93 0.03 0.00 0.02 0.00 0.00 55.97 57.66 2wr4 s LYS 221 Cb -0.35 -3.37 0.01 0.00 -0.52 0.00 0.00 37.83 33.60 2wr4 s LYS 221 CO 0.52 0.27 -0.19 0.08 -0.92 0.00 0.00 175.35 175.12 2wr4 s VAL 222 N 0.04 1.73 -1.59 3.17 1.01 -0.32 -4.59 120.40 119.85 2wr4 s VAL 222 Ca 0.36 -0.80 -0.15 0.00 0.00 0.00 0.00 61.98 61.39 2wr4 s VAL 222 Cb -0.19 -1.54 0.11 0.00 0.00 0.00 0.00 36.38 34.76 2wr4 s VAL 222 CO 0.20 0.49 0.90 0.59 0.00 0.00 0.00 175.10 177.28 2wr4 n ASN 223 N 3.95 -4.15 -0.86 3.32 3.02 -1.26 -1.17 115.26 118.11 2wr4 n ASN 223 Ca -0.20 -0.87 -0.11 0.00 -0.03 0.00 0.00 54.58 53.37 2wr4 n ASN 223 Cb 0.52 -3.47 -0.05 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 -1.59 1.19 3.18 7.41 0.00 -1.26 -4.62 105.19 109.50 2wr4 n GLY 224 Ca 0.04 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.81 2.63 0.07 1.61 -1.52 -0.32 -4.99 119.66 114.34 2wr4 s GLN 225 Ca 0.00 -0.76 -0.00 0.00 -1.95 0.00 0.00 55.36 52.64 2wr4 s GLN 225 Cb 0.00 -2.05 -0.26 0.00 -0.22 0.00 0.00 33.01 30.48 2wr4 s GLN 225 CO 0.00 0.17 1.10 0.78 -0.25 0.00 0.00 175.29 177.09 2wr4 h GLY 226 N 6.68 0.21 -1.21 3.09 0.00 -1.82 -0.85 103.07 109.16 2wr4 h GLY 226 Ca -0.24 -0.53 -0.49 0.00 0.00 0.00 0.00 47.33 46.07 2wr4 h GLY 226 CO 0.47 0.46 0.16 -0.32 0.00 0.00 0.00 176.54 177.32 2wr4 s GLY 227 N -4.75 1.64 0.02 4.60 0.00 -1.26 -4.52 107.32 103.04 2wr4 s GLY 227 Ca -0.04 0.33 -0.00 0.00 0.00 0.00 0.00 44.72 45.02 2wr4 s GLY 227 CO 0.86 0.85 -0.02 0.50 0.00 0.00 0.00 173.10 175.29 2wr4 s ARG 228 N -4.61 0.28 -0.13 2.90 1.81 0.84 -4.67 118.95 115.38 2wr4 s ARG 228 Ca 0.67 -0.53 0.03 0.00 -1.72 0.00 0.00 55.73 54.17 2wr4 s ARG 228 Cb -0.23 0.10 0.01 0.00 -0.45 0.00 0.00 34.95 34.38 2wr4 s ARG 228 CO 0.60 -0.05 -0.21 -1.64 -0.68 0.00 0.00 175.30 173.32 2wr4 s MET 229 N -1.29 2.89 -0.26 3.54 -1.94 0.12 0.25 119.30 122.61 2wr4 s MET 229 Ca -0.14 -0.81 -0.08 0.00 -1.71 0.00 0.00 55.69 52.95 2wr4 s MET 229 Cb -0.09 -2.33 -0.03 0.00 2.01 0.00 0.00 34.83 34.40 2wr4 s MET 229 CO -0.01 0.00 0.10 -2.00 -0.01 0.00 0.00 175.02 173.11 2wr4 s GLU 230 N 0.78 3.68 -0.01 2.03 2.12 -0.78 -1.54 118.70 124.98 2wr4 s GLU 230 Ca -0.09 -0.47 -0.01 0.00 0.36 0.00 0.00 54.97 54.77 2wr4 s GLU 230 Cb -0.16 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 2wr4 s GLU 230 CO -0.00 -0.21 0.08 -0.06 -0.54 0.00 0.00 175.26 174.52 2wr4 s PHE 231 N 1.64 3.29 0.15 5.30 0.40 -0.56 -1.51 117.98 126.69 2wr4 s PHE 231 Ca 0.06 0.22 0.03 0.00 -0.60 0.00 0.00 56.93 56.64 2wr4 s PHE 231 Cb -0.15 -1.75 -0.04 0.00 0.51 0.00 0.00 43.02 41.58 2wr4 s PHE 231 CO 0.05 0.55 -0.07 -1.12 0.70 0.00 0.00 175.22 175.34 2wr4 s SER 232 N -1.70 1.60 0.05 1.36 0.01 0.21 -0.73 113.70 114.50 2wr4 s SER 232 Ca 0.22 -1.06 -0.01 0.00 1.31 0.00 0.00 55.95 56.42 2wr4 s SER 232 Cb -0.12 0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.10 2wr4 s SER 232 CO 0.13 -0.41 -0.03 -1.66 0.41 0.00 0.00 173.24 171.68 2wr4 s TRP 233 N -3.44 0.53 0.06 2.43 1.48 -1.26 -1.32 118.94 117.42 2wr4 s TRP 233 Ca 0.18 -1.00 -0.09 0.00 -1.06 0.00 0.00 56.10 54.13 2wr4 s TRP 233 Cb 0.04 -0.38 0.00 0.00 -1.16 0.00 0.00 33.47 31.97 2wr4 s TRP 233 CO 0.01 -0.34 0.19 -0.08 -4.06 0.00 0.00 176.95 172.67 2wr4 s THR 234 N -3.63 0.13 -0.27 0.66 -1.32 -0.62 -5.00 115.64 105.59 2wr4 s THR 234 Ca 0.05 -1.04 -0.13 0.00 -1.21 0.00 0.00 61.69 59.36 2wr4 s THR 234 Cb 0.06 -1.12 -0.04 0.00 -1.51 0.00 0.00 72.50 69.89 2wr4 s THR 234 CO -0.09 -0.57 0.28 -0.76 -2.21 0.00 0.00 174.62 171.27 2wr4 s LEU 235 N -2.46 4.05 -0.42 9.08 1.43 -1.26 -1.06 118.68 128.04 2wr4 s LEU 235 Ca -0.00 0.16 -0.19 0.00 -1.03 0.00 0.00 54.13 53.08 2wr4 s LEU 235 Cb 0.02 -2.28 0.02 0.00 0.03 0.00 0.00 46.19 43.98 2wr4 s LEU 235 CO -0.07 -0.10 0.51 -0.22 0.23 0.00 0.00 176.35 176.70 2wr4 s LEU 236 N 1.80 4.69 0.76 1.79 2.96 0.20 -4.88 118.68 125.98 2wr4 s LEU 236 Ca 0.11 -0.50 -0.13 0.00 -0.22 0.00 0.00 54.13 53.40 2wr4 s LEU 236 Cb -0.16 -2.52 0.05 0.00 0.50 0.00 0.00 46.19 44.07 2wr4 s LEU 236 CO 0.10 -0.64 1.15 -1.61 -1.32 0.00 0.00 176.35 174.03 2wr4 s GLU 237 N 2.39 2.10 0.36 1.98 8.01 -1.26 -1.59 118.70 130.69 2wr4 s GLU 237 Ca 0.16 1.51 -0.28 0.00 0.01 0.00 0.00 54.97 56.37 2wr4 s GLU 237 Cb -0.16 -1.85 -0.12 0.00 -4.31 0.00 0.00 34.13 27.69 2wr4 s GLU 237 CO 0.15 -1.81 1.43 0.25 0.01 0.00 0.00 175.26 175.29 2wr4 n THR 238 N -3.10 1.91 -1.19 3.63 -2.24 -1.26 -1.67 114.28 110.35 2wr4 n THR 238 Ca 0.11 -0.48 -0.07 0.00 -2.27 0.00 0.00 64.05 61.35 2wr4 n THR 238 Cb 0.52 -1.82 -0.03 0.00 -2.10 0.00 0.00 70.33 66.89 2wr4 n THR 238 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 2wr4 n TRP 239 N 0.55 0.00 -2.88 4.78 7.02 0.18 -4.96 117.44 122.12 2wr4 n TRP 239 Ca 0.03 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.30 2wr4 n TRP 239 Cb 0.38 -2.31 0.02 0.00 -2.42 0.00 0.00 31.31 26.98 2wr4 n TRP 239 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 2wr4 s ASP 240 N -2.28 5.59 0.04 -0.99 3.68 -0.67 -4.80 116.67 117.24 2wr4 s ASP 240 Ca 0.00 0.05 0.04 0.00 2.13 0.00 0.00 52.55 54.77 2wr4 s ASP 240 Cb 0.00 -1.15 -0.02 0.00 -1.45 0.00 0.00 42.92 40.30 2wr4 s ASP 240 CO 0.00 -0.87 -0.11 0.54 0.13 0.00 0.00 175.17 174.85 2wr4 s VAL 241 N -2.59 0.88 -0.16 1.11 0.11 -1.26 -0.44 120.40 118.04 2wr4 s VAL 241 Ca 0.52 -0.99 -0.03 0.00 -2.93 0.00 0.00 61.98 58.55 2wr4 s VAL 241 Cb -0.10 -0.84 -0.02 0.00 -1.53 0.00 0.00 36.38 33.89 2wr4 s VAL 241 CO 0.37 -0.13 -0.05 -0.51 -3.33 0.00 0.00 175.10 171.45 2wr4 s ILE 242 N -0.99 3.67 -0.23 7.04 2.07 -0.47 -4.34 121.20 127.95 2wr4 s ILE 242 Ca -0.02 -0.43 -0.05 0.00 -1.41 0.00 0.00 60.65 58.73 2wr4 s ILE 242 Cb -0.08 -2.61 -0.02 0.00 0.13 0.00 0.00 42.46 39.88 2wr4 s ILE 242 CO 0.01 0.48 0.01 0.20 -1.91 0.00 0.00 174.94 173.73 2wr4 s ASN 243 N 0.57 4.69 -0.10 4.50 0.01 -0.34 -1.89 114.94 122.39 2wr4 s ASN 243 Ca -0.04 -0.30 -0.06 0.00 -0.71 0.00 0.00 52.86 51.75 2wr4 s ASN 243 Cb -0.15 -1.83 -0.04 0.00 0.41 0.00 0.00 41.25 39.65 2wr4 s ASN 243 CO 0.03 -0.02 0.14 -0.36 -1.51 0.00 0.00 177.10 175.37 2wr4 s PHE 244 N 1.53 3.57 -0.16 2.20 0.40 0.02 -2.23 117.98 123.31 2wr4 s PHE 244 Ca 0.06 0.48 -0.09 0.00 -0.60 0.00 0.00 56.93 56.79 2wr4 s PHE 244 Cb -0.15 -1.91 0.06 0.00 0.51 0.00 0.00 43.02 41.53 2wr4 s PHE 244 CO 0.00 0.71 0.38 -2.00 0.70 0.00 0.00 175.22 175.01 2wr4 s GLU 245 N -1.18 0.36 -0.12 0.44 2.12 -0.07 -2.45 118.70 117.81 2wr4 s GLU 245 Ca 0.17 0.74 -0.14 0.00 0.36 0.00 0.00 54.97 56.10 2wr4 s GLU 245 Cb -0.12 -0.04 0.04 0.00 0.26 0.00 0.00 34.13 34.27 2wr4 s GLU 245 CO 0.06 -0.16 0.38 0.45 -0.54 0.00 0.00 175.26 175.46 2wr4 s SER 246 N 1.36 -0.37 0.00 -1.70 0.15 -0.30 0.43 113.70 113.26 2wr4 s SER 246 Ca -0.09 0.63 0.22 0.00 0.70 0.00 0.00 55.95 57.41 2wr4 s SER 246 Cb -0.09 0.68 0.39 0.00 -1.71 0.00 0.00 66.02 65.30 2wr4 s SER 246 CO -0.12 -0.21 1.36 0.35 1.20 0.00 0.00 173.24 175.82 2wr4 n THR 247 N 2.48 0.48 0.00 6.45 -2.24 -0.90 -0.96 114.28 119.60 2wr4 n THR 247 Ca -0.15 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 2wr4 n THR 247 Cb 0.57 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 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 1.41 3.81 2.51 3.38 0.00 -1.26 -4.77 105.19 110.27 2wr4 n GLY 248 Ca 0.18 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.89 -4.67 1.61 3.02 -1.26 -4.18 115.26 108.88 2wr4 n ASN 249 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 2wr4 n ASN 249 Cb 0.00 -0.15 -0.02 0.00 -0.61 0.00 0.00 39.78 39.00 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 4.20 -0.49 3.41 2.96 -1.26 -0.49 118.68 127.01 2wr4 s LEU 250 Ca 0.00 1.61 -0.16 0.00 -0.22 0.00 0.00 54.13 55.35 2wr4 s LEU 250 Cb 0.00 -3.55 0.08 0.00 0.50 0.00 0.00 46.19 43.22 2wr4 s LEU 250 CO 0.00 -0.62 0.46 -0.63 -1.32 0.00 0.00 176.35 174.24 2wr4 s ILE 251 N 2.73 5.17 0.29 6.68 -1.09 0.23 -3.45 121.20 131.76 2wr4 s ILE 251 Ca 0.51 -1.07 -0.15 0.00 -2.23 0.00 0.00 60.65 57.71 2wr4 s ILE 251 Cb -0.20 -4.20 -0.09 0.00 -1.58 0.00 0.00 42.46 36.39 2wr4 s ILE 251 CO 0.15 -0.69 0.71 0.00 -1.23 0.00 0.00 174.94 173.88 2wr4 s ALA 252 N 1.80 3.37 0.50 9.38 0.00 -0.54 -0.75 121.76 135.52 2wr4 s ALA 252 Ca 0.06 0.02 -0.19 0.00 0.00 0.00 0.00 51.96 51.84 2wr4 s ALA 252 Cb -0.25 -2.73 -0.08 0.00 0.00 0.00 0.00 23.12 20.06 2wr4 s ALA 252 CO 0.07 0.35 1.03 -1.25 0.00 0.00 0.00 175.76 175.96 2wr4 s PRO 253 N -2.79 3.76 -0.08 0.00 0.04 -1.25 0.16 135.00 134.83 2wr4 s PRO 253 Ca 0.51 1.29 0.16 0.00 0.04 0.00 0.00 61.00 63.01 2wr4 s PRO 253 Cb -0.11 -2.09 -0.24 0.00 0.04 0.00 0.00 34.50 32.10 2wr4 s PRO 253 CO 0.18 -0.45 0.23 -1.91 0.04 0.00 0.00 177.00 175.09 2wr4 n GLU 254 N -1.15 0.92 -4.39 4.56 2.13 -0.21 -4.68 120.64 117.82 2wr4 n GLU 254 Ca 0.09 -0.09 -0.22 0.00 0.66 0.00 0.00 57.16 57.60 2wr4 n GLU 254 Cb 0.53 -1.41 -0.11 0.00 0.27 0.00 0.00 31.44 30.72 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 -2.83 1.99 0.21 4.31 1.51 -1.24 -1.29 117.35 120.02 2wr4 s TYR 255 Ca -0.07 -0.44 0.04 0.00 -1.01 0.00 0.00 57.07 55.59 2wr4 s TYR 255 Cb 0.08 -0.94 -0.05 0.00 -0.11 0.00 0.00 41.96 40.95 2wr4 s TYR 255 CO 0.69 0.47 -0.05 0.20 -1.11 0.00 0.00 175.55 175.75 2wr4 s GLY 256 N -3.06 1.44 -0.30 0.71 0.00 -0.20 -4.68 107.32 101.23 2wr4 s GLY 256 Ca 0.22 -1.70 -0.01 0.00 0.00 0.00 0.00 44.72 43.23 2wr4 s GLY 256 CO 0.09 -1.67 -0.00 -1.36 0.00 0.00 0.00 173.10 170.16 2wr4 s PHE 257 N -3.31 3.28 0.09 1.90 0.40 0.01 -0.73 117.98 119.62 2wr4 s PHE 257 Ca 0.25 -1.96 -0.31 0.00 -0.60 0.00 0.00 56.93 54.31 2wr4 s PHE 257 Cb 0.04 -2.14 -0.11 0.00 0.51 0.00 0.00 43.02 41.32 2wr4 s PHE 257 CO 0.07 -0.82 1.86 1.63 0.70 0.00 0.00 175.22 178.66 2wr4 n LYS 258 N 4.60 2.72 -4.20 0.44 5.02 -0.24 -0.85 118.16 125.64 2wr4 n LYS 258 Ca -0.13 0.99 -0.17 0.00 -2.02 0.00 0.00 58.31 56.99 2wr4 n LYS 258 Cb 0.43 -2.89 -0.15 0.00 -0.02 0.00 0.00 35.03 32.41 2wr4 n LYS 258 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2wr4 s ILE 259 N 3.12 0.49 0.01 -0.18 2.07 0.10 -1.32 121.20 125.49 2wr4 s ILE 259 Ca 0.84 -0.24 0.05 0.00 -1.41 0.00 0.00 60.65 59.89 2wr4 s ILE 259 Cb -0.50 -0.42 -0.02 0.00 0.13 0.00 0.00 42.46 41.65 2wr4 s ILE 259 CO 0.40 0.15 -0.16 -0.44 -1.91 0.00 0.00 174.94 172.97 2wr4 s SER 260 N -0.03 1.88 -0.10 4.50 0.01 -0.94 -3.84 113.70 115.20 2wr4 s SER 260 Ca 0.01 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 56.90 2wr4 s SER 260 Cb -0.04 -0.17 0.02 0.00 0.21 0.00 0.00 66.02 66.04 2wr4 s SER 260 CO -0.00 0.14 -0.09 -0.54 0.41 0.00 0.00 173.24 173.16 2wr4 s LYS 261 N -0.74 1.54 -0.02 12.44 1.02 -1.26 0.68 119.74 133.39 2wr4 s LYS 261 Ca 0.05 -0.29 -0.20 0.00 0.02 0.00 0.00 55.97 55.55 2wr4 s LYS 261 Cb -0.07 -1.49 -0.11 0.00 -0.52 0.00 0.00 37.83 35.63 2wr4 s LYS 261 CO 0.00 -0.17 0.83 0.07 -0.92 0.00 0.00 175.35 175.17 2wr4 h ARG 262 N 7.77 -0.63 0.00 1.68 -0.00 -1.90 -3.49 114.38 117.81 2wr4 h ARG 262 Ca -0.30 0.04 0.00 0.00 -0.00 0.00 0.00 59.98 59.72 2wr4 h ARG 262 Cb 1.15 0.14 0.00 0.00 -0.00 0.00 0.00 29.97 31.26 2wr4 h ARG 262 CO 0.43 -0.39 0.00 0.41 -0.00 0.00 0.00 179.97 180.42 2wr4 n GLY 263 N 0.03 4.63 3.55 0.08 0.00 -1.26 -5.16 105.19 107.06 2wr4 n GLY 263 Ca -0.09 -0.93 -0.26 0.00 0.00 0.00 0.00 46.02 44.75 2wr4 n GLY 263 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wr4 s SER 264 N 1.38 3.16 0.00 1.61 0.15 -1.26 -4.63 113.70 114.11 2wr4 s SER 264 Ca 0.00 -1.44 0.00 0.00 0.70 0.00 0.00 55.95 55.21 2wr4 s SER 264 Cb 0.00 -0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.24 2wr4 s SER 264 CO 0.00 -0.61 0.00 -0.24 1.20 0.00 0.00 173.24 173.59 2wr4 n SER 265 N -0.92 2.52 -3.65 5.45 2.88 -1.26 -4.86 113.62 113.79 2wr4 n SER 265 Ca -0.06 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.39 2wr4 n SER 265 Cb 0.67 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.11 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 -0.34 -0.06 0.46 0.00 -1.26 -4.70 107.32 101.41 2wr4 s GLY 266 Ca 0.00 0.11 -0.17 0.00 0.00 0.00 0.00 44.72 44.66 2wr4 s GLY 266 CO 0.00 0.04 0.46 -0.42 0.00 0.00 0.00 173.10 173.18 2wr4 s ILE 267 N -3.79 5.10 -0.26 0.90 -1.09 -1.26 -2.40 121.20 118.40 2wr4 s ILE 267 Ca 0.06 0.93 -0.08 0.00 -2.23 0.00 0.00 60.65 59.33 2wr4 s ILE 267 Cb -0.03 -3.79 -0.03 0.00 -1.58 0.00 0.00 42.46 37.03 2wr4 s ILE 267 CO -0.03 0.43 0.09 -0.32 -1.23 0.00 0.00 174.94 173.88 2wr4 s MET 268 N -0.07 3.63 -0.40 2.79 -2.45 0.42 -4.86 119.30 118.37 2wr4 s MET 268 Ca 0.25 -0.50 -0.22 0.00 -1.25 0.00 0.00 55.69 53.97 2wr4 s MET 268 Cb -0.16 -3.38 0.01 0.00 1.25 0.00 0.00 34.83 32.56 2wr4 s MET 268 CO 0.12 -0.22 0.73 0.15 1.05 0.00 0.00 175.02 176.85 2wr4 s LYS 269 N 1.62 3.58 0.16 4.11 3.01 -1.25 -1.65 119.74 129.32 2wr4 s LYS 269 Ca 0.06 0.04 -0.25 0.00 -1.01 0.00 0.00 55.97 54.82 2wr4 s LYS 269 Cb -0.15 -3.86 0.06 0.00 -1.01 0.00 0.00 37.83 32.86 2wr4 s LYS 269 CO 0.04 -0.92 0.93 -0.08 0.51 0.00 0.00 175.35 175.83 2wr4 s THR 270 N 3.02 0.00 -0.09 2.17 -1.32 -1.03 -4.89 115.64 113.51 2wr4 s THR 270 Ca 0.28 -0.67 0.22 0.00 -1.21 0.00 0.00 61.69 60.31 2wr4 s THR 270 Cb -0.13 -1.94 -0.25 0.00 -1.51 0.00 0.00 72.50 68.67 2wr4 s THR 270 CO 0.18 0.00 0.60 -0.62 -2.21 0.00 0.00 174.62 172.58 2wr4 n GLU 271 N -0.46 0.65 -0.55 7.08 -0.58 -1.26 -3.97 120.64 121.55 2wr4 n GLU 271 Ca -0.06 -0.10 -0.29 0.00 -0.42 0.00 0.00 57.16 56.30 2wr4 n GLU 271 Cb 0.61 -1.60 0.24 0.00 -0.57 0.00 0.00 31.44 30.12 2wr4 n GLU 271 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2wr4 s LYS 272 N -3.41 -0.72 0.21 3.49 1.02 -1.26 -5.06 119.74 114.01 2wr4 s LYS 272 Ca -0.06 0.95 0.06 0.00 0.02 0.00 0.00 55.97 56.94 2wr4 s LYS 272 Cb 0.12 -1.57 -0.05 0.00 -0.52 0.00 0.00 37.83 35.82 2wr4 s LYS 272 CO 0.87 -3.62 -0.10 0.95 -0.92 0.00 0.00 175.35 172.53 2wr4 s THR 273 N -2.47 1.46 0.86 2.17 -4.23 -1.26 -5.05 115.64 107.13 2wr4 s THR 273 Ca 0.68 -2.13 -0.13 0.00 -1.18 0.00 0.00 61.69 58.94 2wr4 s THR 273 Cb -0.25 -2.10 0.07 0.00 1.34 0.00 0.00 72.50 71.56 2wr4 s THR 273 CO 0.64 -0.55 0.91 -0.11 -0.54 0.00 0.00 174.62 174.98 2wr4 n LEU 274 N -0.37 2.58 -2.60 4.79 0.00 -1.26 -4.11 117.00 116.04 2wr4 n LEU 274 Ca -0.08 0.48 -0.03 0.00 0.00 0.00 0.00 56.01 56.38 2wr4 n LEU 274 Cb 0.61 -1.39 0.11 0.00 0.00 0.00 0.00 43.42 42.75 2wr4 n LEU 274 CO 0.35 -2.46 0.58 1.21 0.00 0.00 0.00 177.39 177.07 2wr4 n GLU 275 N -2.84 1.19 -3.87 1.96 2.13 -0.22 -4.88 120.64 114.11 2wr4 n GLU 275 Ca 0.11 -1.28 -0.24 0.00 0.66 0.00 0.00 57.16 56.41 2wr4 n GLU 275 Cb 0.51 0.26 -0.00 0.00 0.27 0.00 0.00 31.44 32.48 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 -1.15 -0.74 -0.52 4.31 5.15 -1.26 -4.86 115.26 116.19 2wr4 n ASN 276 Ca -0.13 -0.95 0.00 0.00 -0.60 0.00 0.00 54.58 52.90 2wr4 n ASN 276 Cb 0.84 -3.36 0.00 0.00 -0.53 0.00 0.00 39.78 36.73 2wr4 n ASN 276 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wr4 s GLU 278 N -0.56 0.50 0.20 0.00 2.56 -1.26 -2.91 118.70 117.24 2wr4 s GLU 278 Ca 0.00 0.62 -0.08 0.00 0.00 0.00 0.00 54.97 55.51 2wr4 s GLU 278 Cb 0.00 0.22 -0.02 0.00 2.00 0.00 0.00 34.13 36.34 2wr4 s GLU 278 CO 0.00 -0.07 0.31 0.95 -0.56 0.00 0.00 175.26 175.89 2wr4 s THR 279 N 0.34 0.03 -2.05 -1.70 -4.23 -0.92 -4.95 115.64 102.15 2wr4 s THR 279 Ca -0.01 -1.56 0.20 0.00 -1.18 0.00 0.00 61.69 59.14 2wr4 s THR 279 Cb -0.03 -2.15 0.04 0.00 1.34 0.00 0.00 72.50 71.70 2wr4 s THR 279 CO -0.01 -0.12 1.04 2.29 -0.54 0.00 0.00 174.62 177.29 2wr4 n LYS 280 N -0.29 1.57 -3.61 3.99 0.00 -1.26 -1.18 118.16 117.37 2wr4 n LYS 280 Ca -0.03 -1.17 -0.12 0.00 -0.00 0.00 0.00 58.31 57.00 2wr4 n LYS 280 Cb 0.63 -1.39 -0.11 0.00 -0.00 0.00 0.00 35.03 34.15 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 2.49 2.63 0.30 0.00 2.00 -0.33 -1.03 119.66 125.72 2wr4 s GLN 282 Ca 0.02 -0.76 0.07 0.00 -2.00 0.00 0.00 55.36 52.69 2wr4 s GLN 282 Cb -0.13 -2.34 -0.06 0.00 0.80 0.00 0.00 33.01 31.28 2wr4 s GLN 282 CO -0.11 0.49 -0.06 0.95 -0.50 0.00 0.00 175.29 176.06 2wr4 s THR 283 N -0.41 1.82 -1.44 -0.34 -4.23 -0.67 -0.36 115.64 110.01 2wr4 s THR 283 Ca 0.04 -2.14 0.13 0.00 -1.18 0.00 0.00 61.69 58.54 2wr4 s THR 283 Cb -0.12 -2.53 0.23 0.00 1.34 0.00 0.00 72.50 71.41 2wr4 s THR 283 CO 0.02 -0.25 1.33 -2.65 -0.54 0.00 0.00 174.62 172.53 2wr4 n PRO 284 N -0.66 0.19 -0.05 3.99 -0.02 -1.26 -2.30 135.00 134.89 2wr4 n PRO 284 Ca -0.05 0.16 -0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2wr4 n PRO 284 Cb 0.64 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.48 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 -1.28 0.00 0.00 2.45 4.77 -1.26 -4.90 117.00 116.78 2wr4 n LEU 285 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2wr4 n LEU 285 Cb 0.10 0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2wr4 n LEU 285 CO 0.10 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 2wr4 n GLY 286 N 1.77 0.94 3.91 -0.72 0.00 -0.97 -3.97 105.19 106.15 2wr4 n GLY 286 Ca -0.16 -1.16 -0.27 0.00 0.00 0.00 0.00 46.02 44.44 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 3.50 -0.13 4.61 0.00 -1.09 -1.68 121.76 124.97 2wr4 s ALA 287 Ca 0.00 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.38 2wr4 s ALA 287 Cb 0.00 -2.44 0.01 0.00 0.00 0.00 0.00 23.12 20.69 2wr4 s ALA 287 CO 0.00 -0.20 -0.19 0.42 0.00 0.00 0.00 175.76 175.79 2wr4 s ILE 288 N -2.56 1.85 -0.30 0.00 -1.09 -0.20 -1.31 121.20 117.59 2wr4 s ILE 288 Ca 0.45 -0.85 0.02 0.00 -2.23 0.00 0.00 60.65 58.04 2wr4 s ILE 288 Cb -0.10 -1.66 0.07 0.00 -1.58 0.00 0.00 42.46 39.19 2wr4 s ILE 288 CO 0.41 0.51 -0.02 0.21 -1.23 0.00 0.00 174.94 174.82 2wr4 s ASN 289 N 0.93 4.70 -0.05 3.58 2.47 -1.26 -4.17 114.94 121.13 2wr4 s ASN 289 Ca -0.06 -1.64 -0.27 0.00 0.42 0.00 0.00 52.86 51.32 2wr4 s ASN 289 Cb -0.15 -1.63 0.06 0.00 -1.45 0.00 0.00 41.25 38.08 2wr4 s ASN 289 CO -0.03 -0.29 0.59 0.28 -3.72 0.00 0.00 177.10 173.93 2wr4 s THR 290 N 1.08 0.01 -0.12 -5.21 -1.32 -1.26 -5.00 115.64 103.83 2wr4 s THR 290 Ca -0.01 -0.11 0.16 0.00 -1.21 0.00 0.00 61.69 60.51 2wr4 s THR 290 Cb -0.20 -0.90 -0.10 0.00 -1.51 0.00 0.00 72.50 69.79 2wr4 s THR 290 CO -0.05 -0.06 0.96 0.74 -2.21 0.00 0.00 174.62 174.00 2wr4 h THR 291 N 3.24 0.63 -3.62 5.08 2.02 -2.00 -3.49 112.91 114.77 2wr4 h THR 291 Ca -0.28 -2.12 -0.56 0.00 0.77 0.00 0.00 66.41 64.22 2wr4 h THR 291 Cb 1.15 2.16 0.17 0.00 -1.74 0.00 0.00 68.15 69.89 2wr4 h THR 291 CO 0.39 0.36 0.07 0.18 0.37 0.00 0.00 175.52 176.89 2wr4 n LEU 292 N -2.98 3.43 0.04 2.58 4.77 -1.26 -4.93 117.00 118.64 2wr4 n LEU 292 Ca -0.07 0.73 0.12 0.00 -0.03 0.00 0.00 56.01 56.77 2wr4 n LEU 292 Cb 0.83 -1.38 0.28 0.00 -2.33 0.00 0.00 43.42 40.82 2wr4 n LEU 292 CO 0.43 -2.04 0.52 -0.81 -1.33 0.00 0.00 177.39 174.15 2wr4 n PRO 293 N -1.31 0.17 -4.09 3.23 -0.05 -1.26 -4.60 135.00 127.09 2wr4 n PRO 293 Ca 0.13 0.06 -0.14 0.00 -0.05 0.00 0.00 63.50 63.51 2wr4 n PRO 293 Cb 0.48 -1.62 -0.12 0.00 -0.05 0.00 0.00 33.50 32.20 2wr4 n PRO 293 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 175.50 175.39 2wr4 s PHE 294 N -3.09 0.73 0.12 0.54 0.08 -1.23 -0.68 117.98 114.45 2wr4 s PHE 294 Ca 0.09 -0.46 -0.03 0.00 0.12 0.00 0.00 56.93 56.65 2wr4 s PHE 294 Cb 0.15 -0.43 -0.03 0.00 -0.57 0.00 0.00 43.02 42.14 2wr4 s PHE 294 CO 0.68 -0.06 0.10 -3.38 -0.10 0.00 0.00 175.22 172.45 2wr4 s HIS 295 N -1.26 0.64 -0.08 0.36 -3.43 0.09 0.19 115.29 111.81 2wr4 s HIS 295 Ca -0.08 -1.05 0.13 0.00 -0.80 0.00 0.00 55.06 53.26 2wr4 s HIS 295 Cb -0.09 -0.34 0.26 0.00 -1.43 0.00 0.00 32.58 30.97 2wr4 s HIS 295 CO 0.01 -0.53 1.12 0.27 -2.00 0.00 0.00 174.74 173.60 2wr4 n ASN 296 N -0.07 1.23 0.00 7.38 6.94 -0.99 -1.60 115.26 128.15 2wr4 n ASN 296 Ca -0.08 -2.70 -0.13 0.00 -0.02 0.00 0.00 54.58 51.65 2wr4 n ASN 296 Cb 0.63 -0.35 -0.09 0.00 -2.36 0.00 0.00 39.78 37.61 2wr4 n ASN 296 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 2wr4 h ILE 297 N 3.76 1.25 -1.42 1.53 5.03 -1.88 -3.48 117.51 122.29 2wr4 h ILE 297 Ca -0.05 -0.73 0.11 0.00 -0.12 0.00 0.00 64.86 64.07 2wr4 h ILE 297 Cb 1.31 1.72 -0.28 0.00 -3.03 0.00 0.00 36.82 36.53 2wr4 h ILE 297 CO 0.02 0.19 0.60 -2.28 -0.68 0.00 0.00 178.15 176.00 2wr4 s HIS 298 N -4.98 -0.33 0.25 1.37 5.04 -1.26 -5.04 115.29 110.34 2wr4 s HIS 298 Ca -0.15 0.79 0.14 0.00 -1.54 0.00 0.00 55.06 54.31 2wr4 s HIS 298 Cb 0.03 0.41 0.56 0.00 0.04 0.00 0.00 32.58 33.62 2wr4 s HIS 298 CO 0.67 -0.16 1.70 -1.35 -2.34 0.00 0.00 174.74 173.26 2wr4 h PRO 299 N 3.77 0.00 -3.11 2.88 0.11 -1.99 -3.38 132.00 130.28 2wr4 h PRO 299 Ca -0.27 0.00 -0.76 0.00 0.11 0.00 0.00 66.00 65.07 2wr4 h PRO 299 Cb 1.18 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.12 2wr4 h PRO 299 CO 0.14 0.48 1.90 1.28 -0.21 0.00 0.00 178.00 181.59 2wr4 n LEU 300 N -3.73 7.03 -4.95 2.35 4.77 -1.26 -4.89 117.00 116.33 2wr4 n LEU 300 Ca -0.01 -4.83 -0.24 0.00 -0.03 0.00 0.00 56.01 50.90 2wr4 n LEU 300 Cb 0.54 -1.40 0.04 0.00 -2.33 0.00 0.00 43.42 40.26 2wr4 n LEU 300 CO 0.39 1.64 0.44 0.42 -1.33 0.00 0.00 177.39 178.95 2wr4 s THR 301 N -0.74 3.14 -0.04 -5.08 -4.23 -1.26 -4.33 115.64 103.09 2wr4 s THR 301 Ca 0.42 -0.38 -0.00 0.00 -1.18 0.00 0.00 61.69 60.55 2wr4 s THR 301 Cb 0.12 -3.22 0.03 0.00 1.34 0.00 0.00 72.50 70.76 2wr4 s THR 301 CO -0.01 -0.19 -0.00 -0.63 -0.54 0.00 0.00 174.62 173.24 2wr4 s ILE 302 N -2.87 0.28 -0.87 2.99 1.01 0.52 -4.22 121.20 118.03 2wr4 s ILE 302 Ca 0.55 0.08 0.00 0.00 0.00 0.00 0.00 60.65 61.28 2wr4 s ILE 302 Cb -0.10 -0.39 0.00 0.00 0.01 0.00 0.00 42.46 41.98 2wr4 s ILE 302 CO 0.41 0.19 0.00 0.61 0.00 0.00 0.00 174.94 176.16 2wr4 n GLY 303 N 4.46 0.42 3.36 6.18 0.00 -0.74 -1.19 105.19 117.68 2wr4 n GLY 303 Ca -0.19 -2.05 -0.45 0.00 0.00 0.00 0.00 46.02 43.32 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 -0.35 3.02 0.16 1.61 2.02 0.10 -1.87 118.70 123.40 2wr4 s GLU 304 Ca 0.00 -1.45 0.11 0.00 0.02 0.00 0.00 54.97 53.65 2wr4 s GLU 304 Cb 0.00 -4.25 -0.04 0.00 0.10 0.00 0.00 34.13 29.94 2wr4 s GLU 304 CO 0.00 -1.36 -0.25 0.00 0.02 0.00 0.00 175.26 173.67 2wr4 n PRO 306 N 0.56 -0.90 -2.50 0.00 -0.02 -1.26 -4.88 135.00 126.01 2wr4 n PRO 306 Ca -0.15 -0.22 -0.41 0.00 -2.02 0.00 0.00 63.50 60.69 2wr4 n PRO 306 Cb 0.55 -1.98 -0.04 0.00 -0.02 0.00 0.00 33.50 32.01 2wr4 n PRO 306 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2wr4 s LYS 307 N -3.93 4.54 -0.10 -0.52 2.47 0.15 -4.67 119.74 117.68 2wr4 s LYS 307 Ca 0.61 1.72 -0.29 0.00 -1.56 0.00 0.00 55.97 56.44 2wr4 s LYS 307 Cb -0.20 -3.31 -0.01 0.00 -1.46 0.00 0.00 37.83 32.85 2wr4 s LYS 307 CO 0.65 -0.03 1.00 -0.47 0.16 0.00 0.00 175.35 176.66 2wr4 s TYR 308 N 0.19 3.52 0.15 4.03 5.04 -1.26 -0.73 117.35 128.29 2wr4 s TYR 308 Ca 0.52 1.59 0.07 0.00 -2.44 0.00 0.00 57.07 56.82 2wr4 s TYR 308 Cb -0.29 -3.18 -0.04 0.00 0.35 0.00 0.00 41.96 38.80 2wr4 s TYR 308 CO 0.33 -0.21 -0.16 0.14 -1.34 0.00 0.00 175.55 174.30 2wr4 s VAL 309 N 1.96 1.60 0.17 3.14 -7.23 -0.63 -4.79 120.40 114.62 2wr4 s VAL 309 Ca 0.48 -1.84 -0.00 0.00 -1.81 0.00 0.00 61.98 58.81 2wr4 s VAL 309 Cb -0.18 -1.72 -0.13 0.00 0.56 0.00 0.00 36.38 34.91 2wr4 s VAL 309 CO 0.18 -0.37 1.40 0.11 -0.31 0.00 0.00 175.10 176.11 2wr4 h LYS 310 N 3.34 0.31 -4.41 4.82 1.57 -1.89 -3.41 116.57 116.91 2wr4 h LYS 310 Ca -0.41 -0.30 -0.43 0.00 -1.87 0.00 0.00 60.65 57.65 2wr4 h LYS 310 Cb 1.20 0.08 0.15 0.00 0.08 0.00 0.00 32.23 33.74 2wr4 h LYS 310 CO 0.51 0.97 -1.05 0.45 -0.57 0.00 0.00 179.45 179.76 2wr4 n SER 311 N -3.76 -3.38 -0.81 0.86 2.88 -1.26 -4.97 113.62 103.18 2wr4 n SER 311 Ca -0.04 0.35 0.03 0.00 -1.33 0.00 0.00 58.87 57.87 2wr4 n SER 311 Cb 0.76 -0.60 0.04 0.00 -0.75 0.00 0.00 64.21 63.66 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 2.13 0.70 -3.37 -3.46 5.68 -1.26 -4.79 116.55 112.18 2wr4 n ASP 312 Ca 0.03 -2.24 0.02 0.00 -0.50 0.00 0.00 54.79 52.10 2wr4 n ASP 312 Cb 0.37 -0.28 -0.02 0.00 -1.14 0.00 0.00 41.12 40.05 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 -0.51 0.56 -0.49 0.11 0.52 -1.26 -5.10 118.95 112.77 2wr4 s ARG 313 Ca 0.18 1.17 0.03 0.00 -0.52 0.00 0.00 55.73 56.59 2wr4 s ARG 313 Cb 0.19 0.68 0.15 0.00 0.52 0.00 0.00 34.95 36.49 2wr4 s ARG 313 CO -0.06 -0.42 0.31 -0.51 0.02 0.00 0.00 175.30 174.64 2wr4 s LEU 314 N 2.87 2.87 -0.26 2.53 1.43 -1.26 -5.05 118.68 121.81 2wr4 s LEU 314 Ca 0.08 -2.96 -0.07 0.00 -1.03 0.00 0.00 54.13 50.16 2wr4 s LEU 314 Cb -0.13 -1.04 -0.01 0.00 0.03 0.00 0.00 46.19 45.04 2wr4 s LEU 314 CO -0.20 -0.21 0.05 -0.69 0.23 0.00 0.00 176.35 175.54 2wr4 s VAL 315 N -0.07 4.01 -0.09 -1.59 1.01 -1.26 -0.36 120.40 122.06 2wr4 s VAL 315 Ca 0.22 -0.43 -0.26 0.00 0.00 0.00 0.00 61.98 61.51 2wr4 s VAL 315 Cb -0.15 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 2wr4 s VAL 315 CO -0.07 0.25 0.82 -0.76 0.00 0.00 0.00 175.10 175.35 2wr4 s LEU 316 N 1.55 4.27 0.29 3.92 1.02 0.67 -4.72 118.68 125.69 2wr4 s LEU 316 Ca 0.05 1.30 -0.29 0.00 0.02 0.00 0.00 54.13 55.21 2wr4 s LEU 316 Cb -0.16 -3.27 -0.11 0.00 0.02 0.00 0.00 46.19 42.68 2wr4 s LEU 316 CO 0.02 -0.27 1.46 0.00 0.02 0.00 0.00 176.35 177.58 2wr4 s ALA 317 N 1.41 3.62 -0.02 4.21 0.00 -1.26 -0.32 121.76 129.41 2wr4 s ALA 317 Ca 0.41 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.78 2wr4 s ALA 317 Cb -0.18 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.36 2wr4 s ALA 317 CO 0.18 -0.83 -0.01 0.25 0.00 0.00 0.00 175.76 175.35 2wr4 n THR 318 N 1.73 0.10 -0.73 0.00 -2.24 -0.44 -4.83 114.28 107.87 2wr4 n THR 318 Ca 0.05 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2wr4 n THR 318 Cb 0.40 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 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 3.36 0.39 3.85 3.38 0.00 -0.26 -4.92 105.19 110.98 2wr4 n GLY 319 Ca -0.03 -1.77 -0.25 0.00 0.00 0.00 0.00 46.02 43.97 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 2.97 0.06 0.99 0.05 -1.26 -4.71 118.68 116.78 2wr4 s LEU 320 Ca 0.00 -1.10 -0.34 0.00 0.05 0.00 0.00 54.13 52.74 2wr4 s LEU 320 Cb 0.00 -1.45 -0.13 0.00 -2.05 0.00 0.00 46.19 42.56 2wr4 s LEU 320 CO 0.00 -0.83 1.68 -1.14 -0.55 0.00 0.00 176.35 175.50 2wr4 n ARG 321 N -1.55 2.10 -2.82 1.48 0.63 -1.26 -0.45 116.66 114.78 2wr4 n ARG 321 Ca -0.01 0.76 -0.42 0.00 -0.92 0.00 0.00 57.85 57.26 2wr4 n ARG 321 Cb 0.64 -2.55 -0.04 0.00 0.45 0.00 0.00 32.46 30.96 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 2.03 6.93 -0.46 6.15 2.47 -0.74 -4.75 114.94 126.57 2wr4 s ASN 322 Ca 0.84 1.15 0.04 0.00 0.42 0.00 0.00 52.86 55.31 2wr4 s ASN 322 Cb -0.70 -2.47 0.17 0.00 -1.45 0.00 0.00 41.25 36.79 2wr4 s ASN 322 CO 0.43 -0.55 0.35 -0.69 -3.72 0.00 0.00 177.10 172.92 2wr4 s VAL 323 N 2.88 0.80 -0.63 -5.21 1.01 -1.26 -4.87 120.40 113.12 2wr4 s VAL 323 Ca 0.38 -2.84 0.02 0.00 0.00 0.00 0.00 61.98 59.53 2wr4 s VAL 323 Cb -0.15 -1.55 0.11 0.00 0.00 0.00 0.00 36.38 34.79 2wr4 s VAL 323 CO 0.07 -1.16 0.82 -2.65 0.00 0.00 0.00 175.10 172.19 2wr4 n PRO 324 N 2.83 1.45 0.00 2.72 -0.02 -1.26 0.65 135.00 141.37 2wr4 n PRO 324 Ca 0.26 -0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 2wr4 n PRO 324 Cb 0.44 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 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 0.14 0.43 0.14 -1.23 0.00 -1.26 -4.76 105.19 98.66 2wr4 n GLY 330 Ca 0.06 -1.33 0.08 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.25 0.99 5.85 -1.94 -3.33 115.31 116.62 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 0.20 -0.28 0.49 -0.34 0.00 0.00 178.44 178.50 2wr4 n PHE 332 N -2.93 0.00 -0.86 1.25 3.01 -1.26 -5.02 117.46 111.65 2wr4 n PHE 332 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2wr4 n PHE 332 Cb 0.63 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.10 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 1.04 0.54 0.03 1.37 0.00 -1.25 -4.94 105.19 101.98 2wr4 n GLY 333 Ca 0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 45.71 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 0.58 0.28 -1.92 4.61 0.00 -1.26 -0.62 120.51 122.17 2wr4 n ALA 334 Ca 0.00 -0.37 -0.42 0.00 0.00 0.00 0.00 53.44 52.66 2wr4 n ALA 334 Cb 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 2wr4 n ALA 334 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wr4 s ILE 335 N -1.68 2.72 -1.65 0.00 1.01 -1.26 -0.66 121.20 119.68 2wr4 s ILE 335 Ca -0.09 0.57 -0.19 0.00 0.00 0.00 0.00 60.65 60.93 2wr4 s ILE 335 Cb 0.01 -3.36 0.18 0.00 0.01 0.00 0.00 42.46 39.30 2wr4 s ILE 335 CO 0.14 0.07 0.65 0.00 0.00 0.00 0.00 174.94 175.80 2wr4 n ALA 336 N 2.90 -1.20 -2.10 9.38 0.00 -1.22 -4.35 120.51 123.92 2wr4 n ALA 336 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2wr4 n ALA 336 Cb 0.40 -2.90 0.00 0.00 0.00 0.00 0.00 19.45 16.95 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 -1.19 3.77 0.23 0.00 0.00 0.17 -4.72 105.19 103.45 2wr4 n GLY 337 Ca 0.08 -0.47 0.13 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.27 1.61 -5.15 -0.68 -3.32 116.94 106.14 2wr4 h PHE 338 Ca 0.00 0.00 -0.76 0.00 -0.20 0.00 0.00 57.97 57.01 2wr4 h PHE 338 Cb 0.00 0.00 -0.25 0.00 0.22 0.00 0.00 35.95 35.92 2wr4 h PHE 338 CO 0.00 0.05 -0.18 0.42 -2.00 0.00 0.00 178.31 176.60 2wr4 s ILE 339 N -3.33 5.14 0.46 0.88 1.01 -0.90 -3.84 121.20 120.62 2wr4 s ILE 339 Ca 0.05 -1.76 0.23 0.00 0.00 0.00 0.00 60.65 59.16 2wr4 s ILE 339 Cb 0.06 -4.28 0.27 0.00 0.01 0.00 0.00 42.46 38.52 2wr4 s ILE 339 CO 0.64 -0.89 2.08 1.05 0.00 0.00 0.00 174.94 177.82 2wr4 h GLU 340 N 8.57 0.00 -3.73 2.79 4.11 -1.81 -3.23 114.58 121.29 2wr4 h GLU 340 Ca -0.20 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.14 2wr4 h GLU 340 Cb 1.08 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.24 2wr4 h GLU 340 CO 0.95 0.11 -0.14 0.20 0.07 0.00 0.00 179.01 180.21 2wr4 s GLY 341 N -4.17 0.71 0.49 1.06 0.00 -1.26 -4.38 107.32 99.77 2wr4 s GLY 341 Ca -0.04 -1.00 0.07 0.00 0.00 0.00 0.00 44.72 43.75 2wr4 s GLY 341 CO 0.62 -0.70 0.68 -0.32 0.00 0.00 0.00 173.10 173.37 2wr4 s GLY 342 N -3.06 1.87 -0.32 0.20 0.00 0.21 -4.62 107.32 101.60 2wr4 s GLY 342 Ca 0.24 -1.71 -0.08 0.00 0.00 0.00 0.00 44.72 43.17 2wr4 s GLY 342 CO 0.11 -1.43 0.13 -0.98 0.00 0.00 0.00 173.10 170.93 2wr4 s TRP 343 N -2.54 3.19 0.40 1.90 0.51 0.87 -4.74 118.94 118.52 2wr4 s TRP 343 Ca 0.58 -0.91 0.34 0.00 -2.12 0.00 0.00 56.10 53.99 2wr4 s TRP 343 Cb -0.09 -2.33 1.72 0.00 -0.81 0.00 0.00 33.47 31.97 2wr4 s TRP 343 CO 0.36 -0.58 2.14 1.96 -0.51 0.00 0.00 176.95 180.32 2wr4 h GLN 344 N 8.31 0.00 0.00 4.98 1.08 -1.88 -1.93 115.11 125.67 2wr4 h GLN 344 Ca -0.29 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 56.74 2wr4 h GLN 344 Cb 1.12 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.53 2wr4 h GLN 344 CO 0.62 0.05 -0.99 0.78 -0.95 0.00 0.00 178.83 178.35 2wr4 h GLY 345 N 0.94 0.00 -7.28 3.46 0.00 -1.92 -3.43 103.07 94.84 2wr4 h GLY 345 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 2wr4 h GLY 345 CO 0.01 0.00 0.89 -0.29 0.00 0.00 0.00 176.54 177.15 2wr4 s MET 346 N -2.85 3.20 0.00 4.80 -2.45 -1.21 -4.85 119.30 115.95 2wr4 s MET 346 Ca 0.01 -0.35 0.11 0.00 -1.25 0.00 0.00 55.69 54.20 2wr4 s MET 346 Cb 0.08 -4.17 0.22 0.00 1.25 0.00 0.00 34.83 32.21 2wr4 s MET 346 CO 0.79 -1.99 1.10 1.33 1.05 0.00 0.00 175.02 177.30 2wr4 n VAL 347 N 6.28 0.62 -0.07 10.11 0.24 -1.26 -4.49 118.33 129.76 2wr4 n VAL 347 Ca 0.02 -0.81 0.05 0.00 -2.04 0.00 0.00 64.34 61.55 2wr4 n VAL 347 Cb 0.48 0.77 0.12 0.00 -1.47 0.00 0.00 33.84 33.75 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 0.55 2.69 -3.66 -1.34 5.75 -1.26 -5.05 116.55 114.22 2wr4 n ASP 348 Ca 0.10 -1.91 0.01 0.00 -0.01 0.00 0.00 54.79 52.97 2wr4 n ASP 348 Cb 0.37 -0.18 0.02 0.00 -1.03 0.00 0.00 41.12 40.29 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 -0.98 -0.02 -0.09 6.12 0.00 -1.26 -4.90 107.32 106.19 2wr4 s GLY 349 Ca 0.20 -0.13 0.14 0.00 0.00 0.00 0.00 44.72 44.93 2wr4 s GLY 349 CO 0.14 4.76 0.48 0.79 0.00 0.00 0.00 173.10 179.28 2wr4 n TRP 350 N -0.85 0.68 -4.08 1.90 8.01 -1.26 -4.61 117.44 117.23 2wr4 n TRP 350 Ca 0.02 0.25 -0.09 0.00 -1.31 0.00 0.00 57.50 56.37 2wr4 n TRP 350 Cb 0.59 -1.12 -0.10 0.00 -2.01 0.00 0.00 31.31 28.66 2wr4 n TRP 350 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 2wr4 s TYR 351 N -2.58 0.56 -0.64 -5.99 1.51 -1.26 -1.32 117.35 107.63 2wr4 s TYR 351 Ca -0.06 -0.85 0.00 0.00 -1.01 0.00 0.00 57.07 55.15 2wr4 s TYR 351 Cb 0.07 -0.37 0.00 0.00 -0.11 0.00 0.00 41.96 41.55 2wr4 s TYR 351 CO 0.83 -0.25 0.00 0.41 -1.11 0.00 0.00 175.55 175.42 2wr4 n GLY 352 N 0.57 -0.82 3.47 0.71 0.00 -0.86 -0.34 105.19 107.92 2wr4 n GLY 352 Ca -0.17 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.00 2.45 -0.21 1.61 1.51 0.67 -1.65 117.35 118.72 2wr4 s TYR 353 Ca 0.00 -0.30 0.00 0.00 -1.01 0.00 0.00 57.07 55.76 2wr4 s TYR 353 Cb 0.00 -1.26 0.05 0.00 -0.11 0.00 0.00 41.96 40.64 2wr4 s TYR 353 CO 0.00 0.43 -0.06 -1.58 -1.11 0.00 0.00 175.55 173.23 2wr4 s HIS 354 N -1.37 2.24 -0.06 2.71 2.46 0.84 -1.38 115.29 120.72 2wr4 s HIS 354 Ca 0.19 -1.57 -0.02 0.00 0.47 0.00 0.00 55.06 54.13 2wr4 s HIS 354 Cb -0.09 -1.53 -0.03 0.00 -0.13 0.00 0.00 32.58 30.79 2wr4 s HIS 354 CO 0.10 -0.74 0.03 -3.38 -2.47 0.00 0.00 174.74 168.28 2wr4 s HIS 355 N 1.45 3.21 -0.21 3.88 -3.43 -0.54 -0.25 115.29 119.41 2wr4 s HIS 355 Ca -0.03 0.21 -0.03 0.00 -0.80 0.00 0.00 55.06 54.40 2wr4 s HIS 355 Cb -0.18 -1.78 -0.01 0.00 -1.43 0.00 0.00 32.58 29.19 2wr4 s HIS 355 CO -0.07 0.51 -0.05 -1.12 -2.00 0.00 0.00 174.74 172.00 2wr4 s SER 356 N -1.14 4.28 0.09 7.38 0.01 0.29 -4.23 113.70 120.38 2wr4 s SER 356 Ca 0.16 -0.37 0.01 0.00 1.31 0.00 0.00 55.95 57.06 2wr4 s SER 356 Cb -0.12 -1.72 -0.04 0.00 0.21 0.00 0.00 66.02 64.35 2wr4 s SER 356 CO 0.06 0.01 -0.06 0.21 0.41 0.00 0.00 173.24 173.87 2wr4 s ASN 357 N 1.28 1.02 0.23 2.44 3.84 -1.15 -2.13 114.94 120.48 2wr4 s ASN 357 Ca 0.03 -0.97 -0.06 0.00 0.21 0.00 0.00 52.86 52.08 2wr4 s ASN 357 Cb -0.14 0.11 0.36 0.00 -0.55 0.00 0.00 41.25 41.03 2wr4 s ASN 357 CO -0.02 -0.47 1.80 0.44 -2.79 0.00 0.00 177.10 176.06 2wr4 h ASP 358 N 3.10 0.58 0.00 -4.21 3.32 -2.00 -3.36 116.42 113.85 2wr4 h ASP 358 Ca -0.35 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.75 2wr4 h ASP 358 Cb 1.16 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.66 2wr4 h ASP 358 CO 0.63 0.33 0.00 0.00 -1.72 0.00 0.00 179.24 178.48 2wr4 n GLN 359 N -4.80 0.00 -3.28 3.56 3.00 -1.26 -5.05 117.38 109.56 2wr4 n GLN 359 Ca 0.12 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.93 2wr4 n GLN 359 Cb 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.49 2wr4 n GLN 359 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2wr4 n GLY 360 N 0.97 3.37 3.65 1.08 0.00 -1.26 -5.15 105.19 107.85 2wr4 n GLY 360 Ca 0.00 -2.28 -0.02 0.00 0.00 0.00 0.00 46.02 43.72 2wr4 n GLY 360 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wr4 s SER 361 N -2.80 -0.46 0.00 1.61 1.04 -1.26 -2.94 113.70 108.89 2wr4 s SER 361 Ca 0.09 0.73 0.00 0.00 0.48 0.00 0.00 55.95 57.25 2wr4 s SER 361 Cb -0.01 1.18 0.00 0.00 0.10 0.00 0.00 66.02 67.30 2wr4 s SER 361 CO 0.06 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.77 2wr4 n GLY 362 N 3.62 -1.67 3.45 7.32 0.00 -1.26 -5.06 105.19 111.59 2wr4 n GLY 362 Ca -0.18 0.56 -0.34 0.00 0.00 0.00 0.00 46.02 46.07 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 2.96 -0.18 1.61 4.12 -1.26 -1.47 117.35 123.13 2wr4 s TYR 363 Ca 0.00 -0.44 -0.04 0.00 0.02 0.00 0.00 57.07 56.61 2wr4 s TYR 363 Cb 0.00 -1.94 0.08 0.00 -1.52 0.00 0.00 41.96 38.58 2wr4 s TYR 363 CO 0.00 -0.13 0.19 0.00 0.02 0.00 0.00 175.55 175.63 2wr4 s ALA 364 N 0.46 -0.13 0.44 3.71 0.00 -0.48 -5.01 121.76 120.75 2wr4 s ALA 364 Ca -0.05 0.19 -0.25 0.00 0.00 0.00 0.00 51.96 51.85 2wr4 s ALA 364 Cb -0.15 -1.21 -0.08 0.00 0.00 0.00 0.00 23.12 21.69 2wr4 s ALA 364 CO 0.03 -1.12 1.30 0.00 0.00 0.00 0.00 175.76 175.96 2wr4 s ALA 365 N 2.29 3.13 -0.80 0.00 0.00 -1.26 -0.24 121.76 124.87 2wr4 s ALA 365 Ca 0.05 1.21 -0.19 0.00 0.00 0.00 0.00 51.96 53.03 2wr4 s ALA 365 Cb -0.15 -3.49 0.12 0.00 0.00 0.00 0.00 23.12 19.60 2wr4 s ALA 365 CO -0.11 -0.92 0.98 0.34 0.00 0.00 0.00 175.76 176.05 2wr4 s ASP 366 N -0.88 6.45 0.18 0.00 2.15 0.54 -4.84 116.67 120.27 2wr4 s ASP 366 Ca 0.61 -1.76 -0.16 0.00 0.43 0.00 0.00 52.55 51.67 2wr4 s ASP 366 Cb -0.37 -2.37 0.12 0.00 -0.30 0.00 0.00 42.92 40.01 2wr4 s ASP 366 CO 0.46 -1.11 1.66 0.07 -0.17 0.00 0.00 175.17 176.08 2wr4 h LYS 367 N 8.97 0.00 0.48 4.34 2.10 -1.93 -2.34 116.57 128.20 2wr4 h LYS 367 Ca -0.03 -0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.60 2wr4 h LYS 367 Cb 1.05 -0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.36 2wr4 h LYS 367 CO 1.09 0.00 -0.45 1.49 -2.00 0.00 0.00 179.45 179.58 2wr4 h GLU 368 N 0.00 -0.89 -0.08 0.07 4.81 -1.96 -1.39 114.58 115.14 2wr4 h GLU 368 Ca 0.22 0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.39 2wr4 h GLU 368 Cb 0.33 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 2wr4 h GLU 368 CO -0.46 -0.59 -0.47 0.66 -0.73 0.00 0.00 179.01 177.41 2wr4 h SER 369 N -0.92 0.22 -0.56 1.04 4.64 -1.95 -2.07 113.55 113.95 2wr4 h SER 369 Ca -0.06 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2wr4 h SER 369 Cb 0.79 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.79 2wr4 h SER 369 CO -0.04 0.67 0.36 0.74 -0.87 0.00 0.00 176.83 177.69 2wr4 h THR 370 N 0.17 1.15 -0.10 2.95 2.02 -1.30 -2.34 112.91 115.46 2wr4 h THR 370 Ca 0.01 -0.30 -0.20 0.00 0.77 0.00 0.00 66.41 66.69 2wr4 h THR 370 Cb 0.90 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 2wr4 h THR 370 CO 0.07 0.15 -0.75 -0.61 0.37 0.00 0.00 175.52 174.76 2wr4 h GLN 371 N 0.77 0.53 -0.99 6.66 5.75 -0.60 -0.03 115.11 127.20 2wr4 h GLN 371 Ca 0.21 -0.43 0.08 0.00 -0.15 0.00 0.00 58.65 58.36 2wr4 h GLN 371 Cb -0.07 0.09 -0.07 0.00 1.07 0.00 0.00 27.48 28.50 2wr4 h GLN 371 CO -0.04 1.06 0.64 -0.22 -2.65 0.00 0.00 178.83 177.62 2wr4 h LYS 372 N 0.36 1.08 0.00 1.69 3.64 -1.04 -0.27 116.57 122.02 2wr4 h LYS 372 Ca -0.04 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.14 2wr4 h LYS 372 Cb 1.34 -0.24 0.01 0.00 -0.41 0.00 0.00 32.23 32.93 2wr4 h LYS 372 CO 0.14 0.71 -0.54 0.00 -2.27 0.00 0.00 179.45 177.49 2wr4 h ALA 373 N 1.49 0.06 -0.68 5.00 0.00 -1.07 -0.95 119.26 123.10 2wr4 h ALA 373 Ca 0.45 -0.55 0.12 0.00 0.00 0.00 0.00 54.91 54.92 2wr4 h ALA 373 Cb 0.26 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.00 2wr4 h ALA 373 CO -0.19 0.30 0.25 0.27 0.00 0.00 0.00 179.25 179.88 2wr4 h PHE 374 N -0.20 0.43 0.22 0.00 -0.00 -0.88 0.01 116.94 116.53 2wr4 h PHE 374 Ca -0.07 0.03 -0.01 0.00 -0.00 0.00 0.00 57.97 57.92 2wr4 h PHE 374 Cb 1.27 -0.09 0.00 0.00 -0.00 0.00 0.00 35.95 37.13 2wr4 h PHE 374 CO 0.16 0.07 -0.10 -0.44 -0.00 0.00 0.00 178.31 177.99 2wr4 h ASP 375 N 0.41 -0.25 -0.15 -0.68 3.32 -0.97 -2.02 116.42 116.08 2wr4 h ASP 375 Ca 0.36 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 2wr4 h ASP 375 Cb 0.51 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 2wr4 h ASP 375 CO -0.37 -0.09 0.07 1.23 -1.72 0.00 0.00 179.24 178.36 2wr4 h GLY 376 N -0.39 0.23 1.59 2.75 0.00 -0.72 -1.20 103.07 105.33 2wr4 h GLY 376 Ca -0.03 -0.11 -0.08 0.00 0.00 0.00 0.00 47.33 47.11 2wr4 h GLY 376 CO 0.05 0.11 -0.17 -2.22 0.00 0.00 0.00 176.54 174.30 2wr4 h ILE 377 N 0.11 1.24 0.12 2.60 5.03 -1.06 -1.17 117.51 124.39 2wr4 h ILE 377 Ca 0.05 -1.12 0.01 0.00 -0.12 0.00 0.00 64.86 63.68 2wr4 h ILE 377 Cb 0.12 1.22 -0.02 0.00 -3.03 0.00 0.00 36.82 35.11 2wr4 h ILE 377 CO -0.01 0.36 -0.18 0.74 -0.68 0.00 0.00 178.15 178.38 2wr4 h THR 378 N 0.45 0.59 -0.91 -0.27 2.02 -1.14 -1.86 112.91 111.79 2wr4 h THR 378 Ca 0.08 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.37 2wr4 h THR 378 Cb 0.56 0.59 -0.08 0.00 -1.74 0.00 0.00 68.15 67.48 2wr4 h THR 378 CO 0.04 0.00 0.54 0.78 0.37 0.00 0.00 175.52 177.25 2wr4 h ASN 379 N -0.36 0.77 -0.01 4.18 2.35 -0.77 -0.61 115.58 121.12 2wr4 h ASN 379 Ca 0.02 0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2wr4 h ASN 379 Cb 0.37 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 2wr4 h ASN 379 CO -0.09 0.40 0.00 0.50 -1.65 0.00 0.00 177.43 176.60 2wr4 h LYS 380 N 0.85 0.02 -0.21 0.81 3.64 -0.72 0.47 116.57 121.42 2wr4 h LYS 380 Ca 0.46 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 2wr4 h LYS 380 Cb 0.48 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2wr4 h LYS 380 CO -0.28 0.16 0.14 0.28 -2.27 0.00 0.00 179.45 177.48 2wr4 h VAL 381 N -0.13 1.07 -0.44 2.00 2.07 -1.11 -1.88 116.25 117.83 2wr4 h VAL 381 Ca 0.00 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2wr4 h VAL 381 Cb 0.15 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 2wr4 h VAL 381 CO -0.00 0.06 0.29 0.78 0.02 0.00 0.00 177.57 178.72 2wr4 h ASN 382 N 0.28 0.50 -0.18 0.57 2.35 -0.83 -1.34 115.58 116.94 2wr4 h ASN 382 Ca 0.08 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 2wr4 h ASN 382 Cb -0.01 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 2wr4 h ASN 382 CO -0.02 0.37 0.01 0.28 -1.65 0.00 0.00 177.43 176.42 2wr4 h SER 383 N 0.60 0.30 -0.55 5.81 0.02 0.26 0.51 113.55 120.50 2wr4 h SER 383 Ca 0.16 -0.30 -0.03 0.00 -0.84 0.00 0.00 61.79 60.78 2wr4 h SER 383 Cb -0.07 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 2wr4 h SER 383 CO -0.03 0.52 0.23 0.58 -1.14 0.00 0.00 176.83 176.99 2wr4 h VAL 384 N 0.06 1.21 0.06 2.27 2.07 -0.94 -2.97 116.25 118.00 2wr4 h VAL 384 Ca 0.05 -0.65 -0.20 0.00 0.82 0.00 0.00 66.70 66.72 2wr4 h VAL 384 Cb 0.37 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 2wr4 h VAL 384 CO 0.01 0.26 -1.02 0.40 0.02 0.00 0.00 177.57 177.24 2wr4 h ILE 385 N 0.84 1.19 0.00 4.57 2.04 -1.19 -3.39 117.51 121.56 2wr4 h ILE 385 Ca 0.20 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.73 2wr4 h ILE 385 Cb 0.16 2.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 2wr4 h ILE 385 CO -0.02 0.57 0.00 0.00 0.00 0.00 0.00 178.15 178.70 2wr4 h ALA 386 N -0.16 1.00 0.00 1.87 0.00 -0.03 -2.86 119.26 119.08 2wr4 h ALA 386 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2wr4 h ALA 386 Cb 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2wr4 h ALA 386 CO -0.03 0.00 -0.16 0.87 0.00 0.00 0.00 179.25 179.93 2wr4 h LYS 387 N 0.00 0.00 -6.26 0.00 1.79 -1.71 -3.45 116.57 106.94 2wr4 h LYS 387 Ca 0.00 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.92 2wr4 h LYS 387 Cb 0.60 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.25 2wr4 h LYS 387 CO 0.00 0.00 1.17 1.41 -1.08 0.00 0.00 179.45 180.95 2wr4 s MET 388 N -3.21 3.96 -0.49 3.15 1.75 -1.08 -4.94 119.30 118.44 2wr4 s MET 388 Ca 0.07 2.13 -0.25 0.00 -1.25 0.00 0.00 55.69 56.38 2wr4 s MET 388 Cb 0.07 -4.08 0.03 0.00 2.84 0.00 0.00 34.83 33.69 2wr4 s MET 388 CO 0.67 -1.12 0.96 1.21 -0.65 0.00 0.00 175.02 176.09 2wr4 s ASN 389 N 4.35 6.46 -0.50 1.11 3.04 -1.26 -5.00 114.94 123.13 2wr4 s ASN 389 Ca 0.79 0.00 0.01 0.00 0.04 0.00 0.00 52.86 53.71 2wr4 s ASN 389 Cb -0.33 -2.46 0.13 0.00 -1.54 0.00 0.00 41.25 37.05 2wr4 s ASN 389 CO 0.33 -1.14 0.27 0.42 -3.04 0.00 0.00 177.10 173.94 2wr4 s THR 390 N 3.92 2.94 0.74 -5.21 -4.23 -1.26 -5.07 115.64 107.46 2wr4 s THR 390 Ca 0.36 -2.88 -0.04 0.00 -1.18 0.00 0.00 61.69 57.95 2wr4 s THR 390 Cb -0.10 -3.01 0.12 0.00 1.34 0.00 0.00 72.50 70.84 2wr4 s THR 390 CO 0.25 -0.77 1.02 0.00 -0.54 0.00 0.00 174.62 174.58 2wr4 s GLN 391 N 0.17 1.69 0.04 3.99 -2.07 -1.26 -4.82 119.66 117.40 2wr4 s GLN 391 Ca 0.15 -0.85 -0.27 0.00 -1.82 0.00 0.00 55.36 52.57 2wr4 s GLN 391 Cb -0.23 -2.25 -0.05 0.00 -1.09 0.00 0.00 33.01 29.39 2wr4 s GLN 391 CO -0.03 -1.49 0.86 0.12 -1.32 0.00 0.00 175.29 173.43 2wr4 s PHE 392 N -3.23 3.72 0.09 9.60 5.36 -1.26 -4.37 117.98 127.90 2wr4 s PHE 392 Ca 0.66 1.59 -0.07 0.00 -0.96 0.00 0.00 56.93 58.15 2wr4 s PHE 392 Cb -0.06 -2.95 -0.01 0.00 -0.34 0.00 0.00 43.02 39.65 2wr4 s PHE 392 CO 0.45 0.17 0.15 -1.21 -1.46 0.00 0.00 175.22 173.32 2wr4 s GLU 393 N 0.28 0.83 -0.26 10.12 8.01 -0.78 -4.97 118.70 131.93 2wr4 s GLU 393 Ca 0.44 -1.06 -0.16 0.00 0.01 0.00 0.00 54.97 54.19 2wr4 s GLU 393 Cb -0.21 0.31 -0.14 0.00 -4.31 0.00 0.00 34.13 29.78 2wr4 s GLU 393 CO 0.25 -0.25 -0.19 0.00 0.01 0.00 0.00 175.26 175.08 2wr4 n ALA 394 N -0.04 1.08 0.00 5.21 0.00 -1.26 -1.78 120.51 123.71 2wr4 n ALA 394 Ca -0.13 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.38 2wr4 n ALA 394 Cb 0.62 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 -4.30 0.00 -1.61 0.00 0.31 -1.26 -4.28 118.33 107.19 2wr4 n VAL 395 Ca -0.48 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.43 2wr4 n VAL 395 Cb 0.83 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.77 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 -0.17 3.20 2.92 0.00 -1.26 -5.00 105.19 104.87 2wr4 n GLY 396 Ca 0.00 0.14 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.04 0.88 -0.07 1.61 1.02 -1.26 -4.72 119.74 115.16 2wr4 s LYS 397 Ca 0.63 -1.18 0.03 0.00 0.02 0.00 0.00 55.97 55.47 2wr4 s LYS 397 Cb -0.55 0.30 -0.02 0.00 -0.52 0.00 0.00 37.83 37.03 2wr4 s LYS 397 CO 0.57 -0.26 -0.15 -1.21 -0.92 0.00 0.00 175.35 173.37 2wr4 s GLU 398 N -3.94 2.78 0.00 1.68 0.41 -1.26 -5.12 118.70 113.25 2wr4 s GLU 398 Ca 0.13 -0.71 -0.01 0.00 -0.41 0.00 0.00 54.97 53.97 2wr4 s GLU 398 Cb 0.06 -2.44 -0.01 0.00 -1.78 0.00 0.00 34.13 29.97 2wr4 s GLU 398 CO -0.05 0.48 0.01 -0.06 -0.49 0.00 0.00 175.26 175.14 2wr4 s PHE 399 N -0.35 0.10 0.98 1.61 0.08 -1.26 -5.01 117.98 114.13 2wr4 s PHE 399 Ca 0.03 -0.20 -0.15 0.00 0.12 0.00 0.00 56.93 56.74 2wr4 s PHE 399 Cb -0.12 -0.08 0.19 0.00 -0.57 0.00 0.00 43.02 42.43 2wr4 s PHE 399 CO 0.02 -0.10 1.20 -1.54 -0.10 0.00 0.00 175.22 174.70 2wr4 s SER 400 N -0.68 2.91 0.41 1.36 1.04 -1.26 -4.90 113.70 112.59 2wr4 s SER 400 Ca -0.07 0.64 0.29 0.00 0.48 0.00 0.00 55.95 57.28 2wr4 s SER 400 Cb -0.05 -0.95 1.25 0.00 0.10 0.00 0.00 66.02 66.37 2wr4 s SER 400 CO -0.00 -2.89 1.86 -0.55 0.98 0.00 0.00 173.24 172.64 2wr4 h ASN 401 N -1.74 0.00 -0.62 7.02 -1.07 -2.03 -1.54 115.58 115.61 2wr4 h ASN 401 Ca -0.47 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 55.82 2wr4 h ASN 401 Cb 1.29 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 37.49 2wr4 h ASN 401 CO 0.48 0.00 0.11 0.18 0.07 0.00 0.00 177.43 178.27 2wr4 n LEU 402 N -2.65 5.71 -1.55 6.14 4.77 -1.26 -4.19 117.00 123.97 2wr4 n LEU 402 Ca 0.01 -2.93 -0.07 0.00 -0.03 0.00 0.00 56.01 52.99 2wr4 n LEU 402 Cb 0.24 -0.70 0.09 0.00 -2.33 0.00 0.00 43.42 40.72 2wr4 n LEU 402 CO 0.22 0.68 0.21 -0.62 -1.33 0.00 0.00 177.39 176.55 2wr4 n GLU 403 N 0.30 2.28 -0.20 3.23 1.02 -0.58 -4.86 120.64 121.83 2wr4 n GLU 403 Ca 0.32 -3.55 -0.03 0.00 -0.02 0.00 0.00 57.16 53.88 2wr4 n GLU 403 Cb 1.24 -1.72 0.07 0.00 -0.02 0.00 0.00 31.44 31.01 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 1.68 0.60 -0.52 3.49 -0.00 -1.73 -1.16 114.38 116.75 2wr4 h ARG 404 Ca 0.11 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.98 59.55 2wr4 h ARG 404 Cb 1.35 -0.14 -0.02 0.00 0.00 0.00 0.00 29.97 31.16 2wr4 h ARG 404 CO 0.35 0.40 0.31 0.00 0.00 0.00 0.00 179.97 181.03 2wr4 h ARG 405 N 0.62 0.70 -0.09 0.04 3.08 -1.95 0.25 114.38 117.03 2wr4 h ARG 405 Ca 0.26 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 2wr4 h ARG 405 Cb 0.14 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 2wr4 h ARG 405 CO -0.16 0.51 0.02 1.25 -1.07 0.00 0.00 179.97 180.51 2wr4 h LEU 406 N 0.69 0.14 -0.96 3.04 5.85 -1.86 0.16 115.31 122.37 2wr4 h LEU 406 Ca 0.19 -0.25 0.15 0.00 0.84 0.00 0.00 57.88 58.81 2wr4 h LEU 406 Cb -0.01 -0.04 -0.09 0.00 0.37 0.00 0.00 40.66 40.89 2wr4 h LEU 406 CO -0.04 0.35 0.58 -0.08 -0.34 0.00 0.00 178.44 178.91 2wr4 h GLU 407 N -0.08 0.80 -0.27 1.25 4.81 -1.05 -0.95 114.58 119.10 2wr4 h GLU 407 Ca 0.03 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 2wr4 h GLU 407 Cb 0.27 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2wr4 h GLU 407 CO 0.00 0.53 -0.29 -0.97 -0.73 0.00 0.00 179.01 177.56 2wr4 h ASN 408 N 0.83 0.55 -0.28 1.04 -0.00 -0.24 -1.05 115.58 116.42 2wr4 h ASN 408 Ca 0.52 -0.20 -0.01 0.00 -0.00 0.00 0.00 56.30 56.61 2wr4 h ASN 408 Cb 0.67 -0.15 -0.01 0.00 -0.00 0.00 0.00 38.32 38.82 2wr4 h ASN 408 CO -0.33 0.81 0.16 0.25 -0.00 0.00 0.00 177.43 178.32 2wr4 h LEU 409 N 0.47 0.35 -0.84 0.34 6.46 0.26 -0.81 115.31 121.54 2wr4 h LEU 409 Ca 0.06 -0.08 -0.00 0.00 -0.12 0.00 0.00 57.88 57.73 2wr4 h LEU 409 Cb 0.74 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.54 2wr4 h LEU 409 CO 0.06 0.34 0.52 -1.13 -0.62 0.00 0.00 178.44 177.60 2wr4 h ASN 410 N 0.34 1.00 -0.33 1.25 -0.73 -0.95 -1.32 115.58 114.84 2wr4 h ASN 410 Ca 0.10 -0.06 -0.04 0.00 1.87 0.00 0.00 56.30 58.17 2wr4 h ASN 410 Cb 0.06 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.39 2wr4 h ASN 410 CO -0.02 0.76 0.04 0.50 -0.37 0.00 0.00 177.43 178.34 2wr4 h LYS 411 N 1.15 0.56 -0.68 6.67 3.64 -0.99 -0.85 116.57 126.07 2wr4 h LYS 411 Ca 0.30 -0.16 0.07 0.00 -1.27 0.00 0.00 60.65 59.59 2wr4 h LYS 411 Cb -0.06 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.65 2wr4 h LYS 411 CO -0.06 0.66 0.45 -0.22 -2.27 0.00 0.00 179.45 178.01 2wr4 h LYS 412 N 0.38 0.65 -0.01 1.90 1.63 -0.91 0.99 116.57 121.20 2wr4 h LYS 412 Ca 0.10 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.84 2wr4 h LYS 412 Cb 0.38 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 2wr4 h LYS 412 CO 0.01 0.43 -0.07 1.98 -3.45 0.00 0.00 179.45 178.35 2wr4 h MET 413 N 0.67 0.06 -0.83 1.90 4.05 -0.94 -1.27 114.93 118.56 2wr4 h MET 413 Ca 0.30 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.66 2wr4 h MET 413 Cb 0.30 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.07 2wr4 h MET 413 CO -0.10 0.75 0.53 0.93 0.23 0.00 0.00 176.91 179.25 2wr4 h GLU 414 N -0.60 1.11 -0.67 0.39 4.39 -0.84 -1.62 114.58 116.73 2wr4 h GLU 414 Ca -0.01 -0.08 -0.08 0.00 0.34 0.00 0.00 59.36 59.53 2wr4 h GLU 414 Cb 0.76 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 29.14 2wr4 h GLU 414 CO 0.01 0.76 0.10 -0.44 -1.16 0.00 0.00 179.01 178.28 2wr4 h ASP 415 N 1.14 1.07 -0.28 1.42 3.32 -0.85 -1.66 116.42 120.58 2wr4 h ASP 415 Ca 0.30 -0.26 0.01 0.00 0.02 0.00 0.00 57.03 57.10 2wr4 h ASP 415 Cb -0.09 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.15 2wr4 h ASP 415 CO -0.06 1.06 0.16 1.23 -1.72 0.00 0.00 179.24 179.91 2wr4 h GLY 416 N 1.04 0.39 1.36 2.75 0.00 -0.31 -0.85 103.07 107.43 2wr4 h GLY 416 Ca 0.20 -0.12 -0.10 0.00 0.00 0.00 0.00 47.33 47.32 2wr4 h GLY 416 CO 0.01 0.10 -0.15 0.74 0.00 0.00 0.00 176.54 177.24 2wr4 h PHE 417 N 0.32 0.84 -0.31 5.60 -1.00 -1.30 -2.05 116.94 119.05 2wr4 h PHE 417 Ca 0.11 -0.17 0.03 0.00 2.81 0.00 0.00 57.97 60.76 2wr4 h PHE 417 Cb 0.01 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 39.33 2wr4 h PHE 417 CO -0.08 0.86 0.12 1.25 -1.61 0.00 0.00 178.31 178.85 2wr4 h LEU 418 N 0.68 0.15 -0.59 1.54 5.85 -0.89 -0.56 115.31 121.48 2wr4 h LEU 418 Ca 0.11 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 2wr4 h LEU 418 Cb 0.64 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 2wr4 h LEU 418 CO 0.04 0.12 0.15 0.44 -0.34 0.00 0.00 178.44 178.86 2wr4 h ASP 419 N 0.27 0.90 0.28 1.25 3.32 -0.95 -0.38 116.42 121.10 2wr4 h ASP 419 Ca 0.13 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 2wr4 h ASP 419 Cb 0.09 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.41 2wr4 h ASP 419 CO -0.13 0.89 -0.13 0.58 -1.72 0.00 0.00 179.24 178.73 2wr4 h VAL 420 N 0.86 0.75 -0.60 -1.35 2.07 -1.15 -1.59 116.25 115.24 2wr4 h VAL 420 Ca 0.19 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 67.45 2wr4 h VAL 420 Cb 0.34 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2wr4 h VAL 420 CO 0.00 0.04 0.02 -0.50 0.02 0.00 0.00 177.57 177.14 2wr4 h TRP 421 N -0.46 1.15 0.69 1.57 4.06 -1.02 -0.49 115.95 121.45 2wr4 h TRP 421 Ca -0.04 -0.19 -0.03 0.00 2.06 0.00 0.00 58.89 60.69 2wr4 h TRP 421 Cb 0.35 -0.30 0.00 0.00 -1.00 0.00 0.00 29.16 28.21 2wr4 h TRP 421 CO -0.03 1.01 -0.37 1.15 -3.56 0.00 0.00 178.44 176.63 2wr4 h THR 422 N 0.95 0.24 -0.26 1.49 2.02 -1.04 -0.75 112.91 115.56 2wr4 h THR 422 Ca 0.17 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.41 2wr4 h THR 422 Cb 0.54 0.24 -0.06 0.00 -1.74 0.00 0.00 68.15 67.12 2wr4 h THR 422 CO 0.03 0.00 -0.16 0.22 0.37 0.00 0.00 175.52 175.98 2wr4 h TYR 423 N -0.99 -0.39 -0.74 3.16 3.20 -1.15 -1.44 116.97 118.62 2wr4 h TYR 423 Ca -0.09 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 2wr4 h TYR 423 Cb 0.78 0.21 -0.04 0.00 1.54 0.00 0.00 36.73 39.22 2wr4 h TYR 423 CO -0.06 -0.23 0.41 -0.91 -1.64 0.00 0.00 178.16 175.74 2wr4 h ASN 424 N -0.13 0.92 -0.32 -2.11 4.21 -1.03 -2.00 115.58 115.11 2wr4 h ASN 424 Ca 0.14 -0.09 -0.08 0.00 1.21 0.00 0.00 56.30 57.48 2wr4 h ASN 424 Cb 0.35 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.31 2wr4 h ASN 424 CO -0.35 0.74 -0.11 0.00 -1.29 0.00 0.00 177.43 176.43 2wr4 h ALA 425 N 1.21 0.44 -0.51 -0.83 0.00 -0.83 0.93 119.26 119.68 2wr4 h ALA 425 Ca 0.26 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2wr4 h ALA 425 Cb 0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2wr4 h ALA 425 CO -0.04 0.30 0.32 0.93 0.00 0.00 0.00 179.25 180.76 2wr4 h GLU 426 N 0.40 0.63 -0.07 0.00 4.39 -1.14 -1.34 114.58 117.45 2wr4 h GLU 426 Ca 0.08 -0.04 -0.19 0.00 0.34 0.00 0.00 59.36 59.55 2wr4 h GLU 426 Cb 0.61 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 2wr4 h GLU 426 CO 0.04 0.42 -0.75 -0.07 -1.16 0.00 0.00 179.01 177.49 2wr4 h LEU 427 N 0.65 0.46 -0.20 1.33 4.07 -1.31 -2.09 115.31 118.22 2wr4 h LEU 427 Ca 0.19 -0.31 0.02 0.00 0.08 0.00 0.00 57.88 57.87 2wr4 h LEU 427 Cb -0.03 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.55 2wr4 h LEU 427 CO -0.06 1.05 0.06 0.25 -1.08 0.00 0.00 178.44 178.65 2wr4 h LEU 428 N 0.26 0.05 -0.23 1.67 5.85 -0.49 -1.26 115.31 121.17 2wr4 h LEU 428 Ca -0.03 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2wr4 h LEU 428 Cb 1.32 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 2wr4 h LEU 428 CO 0.13 0.06 0.15 0.58 -0.34 0.00 0.00 178.44 179.01 2wr4 h VAL 429 N 0.15 1.06 -0.05 1.05 2.07 -1.16 0.41 116.25 119.77 2wr4 h VAL 429 Ca 0.09 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.51 2wr4 h VAL 429 Cb 0.07 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2wr4 h VAL 429 CO -0.10 0.06 -0.01 -0.07 0.02 0.00 0.00 177.57 177.46 2wr4 h LEU 430 N 0.31 -0.05 0.27 2.57 3.38 -1.21 0.07 115.31 120.66 2wr4 h LEU 430 Ca 0.08 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2wr4 h LEU 430 Cb -0.03 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2wr4 h LEU 430 CO -0.02 -0.02 -0.13 0.24 0.09 0.00 0.00 178.44 178.60 2wr4 h MET 431 N -0.00 -0.35 0.00 1.13 2.86 -1.07 -2.22 114.93 115.28 2wr4 h MET 431 Ca 0.02 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 2wr4 h MET 431 Cb 0.04 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 2wr4 h MET 431 CO -0.05 -0.06 -0.04 0.93 1.06 0.00 0.00 176.91 178.74 2wr4 h GLU 432 N -0.64 0.00 -0.65 1.72 4.39 -0.93 -1.16 114.58 117.32 2wr4 h GLU 432 Ca -0.04 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.58 2wr4 h GLU 432 Cb 0.45 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 2wr4 h GLU 432 CO 0.06 0.04 0.07 -0.91 -1.16 0.00 0.00 179.01 177.11 2wr4 h ASN 433 N 0.00 1.07 -0.53 1.42 2.35 -0.80 -1.30 115.58 117.79 2wr4 h ASN 433 Ca -0.00 -0.28 -0.03 0.00 -0.55 0.00 0.00 56.30 55.45 2wr4 h ASN 433 Cb 0.07 -0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 2wr4 h ASN 433 CO 0.01 1.08 0.25 -0.08 -1.65 0.00 0.00 177.43 177.04 2wr4 h GLU 434 N 1.02 0.81 0.00 0.81 4.81 -0.59 -2.58 114.58 118.87 2wr4 h GLU 434 Ca 0.19 -0.11 -0.22 0.00 -0.13 0.00 0.00 59.36 59.10 2wr4 h GLU 434 Cb 0.49 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 2wr4 h GLU 434 CO 0.02 0.65 -1.19 0.00 -0.73 0.00 0.00 179.01 177.76 2wr4 h ARG 435 N 0.81 0.00 0.23 1.92 3.08 -1.29 -2.68 114.38 116.44 2wr4 h ARG 435 Ca 0.20 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 2wr4 h ARG 435 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2wr4 h ARG 435 CO -0.02 0.69 -0.11 1.15 -1.07 0.00 0.00 179.97 180.61 2wr4 h THR 436 N 0.00 0.82 -0.41 2.04 2.02 -1.03 0.53 112.91 116.87 2wr4 h THR 436 Ca -0.11 -0.22 0.08 0.00 0.77 0.00 0.00 66.41 66.93 2wr4 h THR 436 Cb 1.77 0.95 -0.07 0.00 -1.74 0.00 0.00 68.15 69.05 2wr4 h THR 436 CO 0.10 0.05 -0.04 -0.07 0.37 0.00 0.00 175.52 175.93 2wr4 h LEU 437 N -0.41 -0.25 -1.19 2.58 3.38 -1.51 -1.09 115.31 116.82 2wr4 h LEU 437 Ca -0.03 0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2wr4 h LEU 437 Cb 0.31 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2wr4 h LEU 437 CO 0.05 -0.08 -0.25 0.44 0.09 0.00 0.00 178.44 178.69 2wr4 h ASP 438 N 0.07 0.24 0.40 -0.43 3.32 -1.23 0.68 116.42 119.47 2wr4 h ASP 438 Ca 0.20 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 2wr4 h ASP 438 Cb 0.30 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2wr4 h ASP 438 CO -0.37 0.50 -0.31 0.15 -1.72 0.00 0.00 179.24 177.49 2wr4 h PHE 439 N 0.22 -0.81 -0.37 4.55 3.57 0.75 0.18 116.94 125.03 2wr4 h PHE 439 Ca 0.04 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.58 2wr4 h PHE 439 Cb 0.57 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.57 2wr4 h PHE 439 CO 0.01 -0.45 0.11 0.45 -2.23 0.00 0.00 178.31 176.20 2wr4 h HIS 440 N -0.70 0.19 -0.22 0.41 3.86 -0.39 -0.87 115.15 117.44 2wr4 h HIS 440 Ca -0.04 0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.25 2wr4 h HIS 440 Cb 0.60 -0.03 -0.07 0.00 1.06 0.00 0.00 27.41 28.97 2wr4 h HIS 440 CO -0.14 0.07 -0.27 0.22 0.86 0.00 0.00 177.93 178.67 2wr4 h ASP 441 N 0.25 -0.85 -0.67 2.45 -0.00 -0.66 -1.76 116.42 115.17 2wr4 h ASP 441 Ca 0.17 0.14 0.10 0.00 -0.00 0.00 0.00 57.03 57.44 2wr4 h ASP 441 Cb 0.17 0.39 -0.07 0.00 -0.00 0.00 0.00 39.33 39.81 2wr4 h ASP 441 CO -0.19 -0.30 0.29 -1.28 -0.00 0.00 0.00 179.24 177.75 2wr4 h SER 442 N -0.29 0.33 -0.92 2.28 0.87 0.08 -1.58 113.55 114.31 2wr4 h SER 442 Ca 0.13 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 2wr4 h SER 442 Cb 0.49 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.44 2wr4 h SER 442 CO -0.38 0.18 0.54 0.78 -0.53 0.00 0.00 176.83 177.42 2wr4 h ASN 443 N 0.49 1.11 -0.40 6.23 2.35 -0.35 -0.96 115.58 124.05 2wr4 h ASN 443 Ca 0.34 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.98 2wr4 h ASN 443 Cb 0.41 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 2wr4 h ASN 443 CO -0.30 0.86 0.12 0.58 -1.65 0.00 0.00 177.43 177.03 2wr4 h VAL 444 N 1.27 1.22 -0.83 2.81 2.07 -0.65 -1.33 116.25 120.82 2wr4 h VAL 444 Ca 0.33 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 2wr4 h VAL 444 Cb -0.04 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 2wr4 h VAL 444 CO -0.06 0.26 0.41 0.50 0.02 0.00 0.00 177.57 178.70 2wr4 h LYS 445 N 0.50 1.18 -0.34 1.57 3.64 -1.02 -1.30 116.57 120.81 2wr4 h LYS 445 Ca 0.13 -0.17 -0.12 0.00 -1.27 0.00 0.00 60.65 59.22 2wr4 h LYS 445 Cb 0.28 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2wr4 h LYS 445 CO -0.00 0.90 -0.28 -0.91 -2.27 0.00 0.00 179.45 176.89 2wr4 h ASN 446 N 1.17 0.72 -0.08 4.20 2.35 -1.07 -1.46 115.58 121.41 2wr4 h ASN 446 Ca 0.29 -0.27 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2wr4 h ASN 446 Cb 0.10 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.27 2wr4 h ASN 446 CO -0.04 0.96 0.01 0.25 -1.65 0.00 0.00 177.43 176.96 2wr4 h LEU 447 N 0.60 0.12 -0.44 1.61 5.85 -0.92 0.34 115.31 122.47 2wr4 h LEU 447 Ca 0.08 -0.26 0.09 0.00 0.84 0.00 0.00 57.88 58.63 2wr4 h LEU 447 Cb 0.78 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.69 2wr4 h LEU 447 CO 0.06 0.35 -0.17 0.22 -0.34 0.00 0.00 178.44 178.56 2wr4 h TYR 448 N -0.11 -0.40 0.00 1.25 3.20 -1.13 -1.77 116.97 118.02 2wr4 h TYR 448 Ca 0.02 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.88 2wr4 h TYR 448 Cb 0.28 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 2wr4 h TYR 448 CO 0.01 -0.25 -0.26 -0.44 -1.64 0.00 0.00 178.16 175.58 2wr4 h ASP 449 N -0.07 0.00 0.70 -2.11 3.32 -1.01 -2.02 116.42 115.22 2wr4 h ASP 449 Ca 0.21 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 2wr4 h ASP 449 Cb 0.40 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 2wr4 h ASP 449 CO -0.49 0.26 -0.07 0.50 -1.72 0.00 0.00 179.24 177.71 2wr4 h LYS 450 N 0.00 0.00 0.09 3.56 3.64 -0.04 -1.60 116.57 122.22 2wr4 h LYS 450 Ca -0.00 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.05 2wr4 h LYS 450 Cb 0.47 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 2wr4 h LYS 450 CO 0.03 0.07 -1.77 0.28 -2.27 0.00 0.00 179.45 175.80 2wr4 n VAL 451 N -3.28 1.71 -0.26 2.00 0.31 -0.84 -3.81 118.33 114.16 2wr4 n VAL 451 Ca -0.01 -0.46 -0.05 0.00 -0.01 0.00 0.00 64.34 63.81 2wr4 n VAL 451 Cb 0.28 -1.83 0.06 0.00 -0.91 0.00 0.00 33.84 31.43 2wr4 n VAL 451 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2wr4 h ARG 452 N -0.26 0.98 0.00 5.55 2.43 -1.24 -1.44 114.38 120.40 2wr4 h ARG 452 Ca -0.40 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 58.67 2wr4 h ARG 452 Cb 1.81 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 31.15 2wr4 h ARG 452 CO -0.00 0.70 -0.05 0.52 -1.51 0.00 0.00 179.97 179.63 2wr4 h MET 453 N 0.99 0.00 0.10 0.20 2.86 -1.48 -1.36 114.93 116.24 2wr4 h MET 453 Ca 0.26 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.62 2wr4 h MET 453 Cb -0.03 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.65 2wr4 h MET 453 CO -0.05 0.05 -1.19 1.96 1.06 0.00 0.00 176.91 178.74 2wr4 h GLN 454 N 0.00 0.49 0.00 1.72 4.20 -1.40 -3.41 115.11 116.71 2wr4 h GLN 454 Ca -0.00 -0.66 0.00 0.00 0.06 0.00 0.00 58.65 58.05 2wr4 h GLN 454 Cb 0.49 0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.49 2wr4 h GLN 454 CO 0.01 1.28 -0.11 -0.07 -0.67 0.00 0.00 178.83 179.27 2wr4 h LEU 455 N 0.21 0.00 0.00 1.46 3.38 -0.99 -3.42 115.31 115.96 2wr4 h LEU 455 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2wr4 h LEU 455 Cb 1.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.62 2wr4 h LEU 455 CO 0.22 0.19 0.00 0.54 0.09 0.00 0.00 178.44 179.48 2wr4 n ARG 456 N -2.88 0.00 -0.09 1.13 1.74 -0.54 -2.67 116.66 113.35 2wr4 n ARG 456 Ca -0.02 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.99 2wr4 n ARG 456 Cb 0.06 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 31.60 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 0.78 0.13 0.55 5.19 -1.93 -3.22 116.42 117.92 2wr4 h ASP 457 Ca 0.00 -0.27 0.00 0.00 -0.62 0.00 0.00 57.03 56.14 2wr4 h ASP 457 Cb 0.00 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.30 2wr4 h ASP 457 CO 0.00 0.96 0.00 0.59 -3.12 0.00 0.00 179.24 177.67 2wr4 n ASN 458 N -4.13 0.00 -3.81 6.45 3.02 -1.09 -4.73 115.26 110.96 2wr4 n ASN 458 Ca 0.01 0.15 -0.10 0.00 -0.03 0.00 0.00 54.58 54.61 2wr4 n ASN 458 Cb 0.41 -0.26 -0.05 0.00 -0.61 0.00 0.00 39.78 39.26 2wr4 n ASN 458 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2wr4 s VAL 459 N -2.53 0.06 0.01 2.41 -7.23 -1.22 -0.97 120.40 110.93 2wr4 s VAL 459 Ca 0.07 -1.01 0.06 0.00 -1.81 0.00 0.00 61.98 59.30 2wr4 s VAL 459 Cb 0.05 -1.60 -0.03 0.00 0.56 0.00 0.00 36.38 35.36 2wr4 s VAL 459 CO 0.11 -0.25 -0.17 -0.75 -0.31 0.00 0.00 175.10 173.73 2wr4 s LYS 460 N -3.90 2.22 -0.37 4.82 2.20 -0.26 -4.70 119.74 119.76 2wr4 s LYS 460 Ca 0.11 -0.88 -0.20 0.00 -0.36 0.00 0.00 55.97 54.64 2wr4 s LYS 460 Cb 0.01 -2.25 0.00 0.00 -1.51 0.00 0.00 37.83 34.09 2wr4 s LYS 460 CO -0.04 0.57 0.60 -1.21 -0.36 0.00 0.00 175.35 174.91 2wr4 s GLU 461 N -1.18 3.58 -0.05 4.03 2.02 -1.26 -1.77 118.70 124.07 2wr4 s GLU 461 Ca 0.14 -0.10 -0.11 0.00 0.02 0.00 0.00 54.97 54.91 2wr4 s GLU 461 Cb -0.11 -3.84 -0.31 0.00 0.10 0.00 0.00 34.13 29.98 2wr4 s GLU 461 CO 0.04 -0.76 0.65 -0.07 0.02 0.00 0.00 175.26 175.14 2wr4 h LEU 462 N 9.34 0.61 0.00 1.80 3.38 -1.75 -3.50 115.31 125.19 2wr4 h LEU 462 Ca -0.27 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 56.76 2wr4 h LEU 462 Cb 1.11 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2wr4 h LEU 462 CO 0.83 1.80 0.00 0.61 0.09 0.00 0.00 178.44 181.76 2wr4 n GLY 463 N 1.87 -1.23 2.84 0.83 0.00 -1.26 -5.02 105.19 103.21 2wr4 n GLY 463 Ca -0.25 0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 5.51 -0.04 1.61 6.94 -1.25 -4.65 115.26 123.38 2wr4 n ASN 464 Ca 0.00 -3.15 -0.00 0.00 -0.02 0.00 0.00 54.58 51.40 2wr4 n ASN 464 Cb 0.00 -1.44 -0.00 0.00 -2.36 0.00 0.00 39.78 35.97 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 2.52 0.44 3.44 4.83 0.00 -1.26 -4.77 105.19 110.39 2wr4 n GLY 465 Ca 0.40 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.18 3.10 -0.28 0.00 0.40 0.80 -1.82 117.98 120.00 2wr4 s PHE 467 Ca 0.00 0.05 -0.07 0.00 -0.60 0.00 0.00 56.93 56.31 2wr4 s PHE 467 Cb -0.13 -1.83 -0.01 0.00 0.51 0.00 0.00 43.02 41.56 2wr4 s PHE 467 CO 0.03 0.32 0.09 -2.00 0.70 0.00 0.00 175.22 174.35 2wr4 s GLU 468 N -0.51 3.32 0.22 0.44 2.12 -0.73 -1.44 118.70 122.12 2wr4 s GLU 468 Ca 0.09 -0.71 -0.30 0.00 0.36 0.00 0.00 54.97 54.41 2wr4 s GLU 468 Cb -0.12 -3.39 -0.09 0.00 0.26 0.00 0.00 34.13 30.80 2wr4 s GLU 468 CO 0.02 -0.35 1.30 -0.06 -0.54 0.00 0.00 175.26 175.62 2wr4 s PHE 469 N 1.56 3.25 -0.12 5.30 0.40 -1.26 -1.10 117.98 126.01 2wr4 s PHE 469 Ca 0.04 1.27 0.01 0.00 -0.60 0.00 0.00 56.93 57.65 2wr4 s PHE 469 Cb -0.16 -3.59 0.16 0.00 0.51 0.00 0.00 43.02 39.93 2wr4 s PHE 469 CO 0.03 -1.79 1.31 0.66 0.70 0.00 0.00 175.22 176.13 2wr4 n TYR 470 N 2.32 0.75 -3.64 0.36 0.53 -0.14 -4.85 117.16 112.48 2wr4 n TYR 470 Ca 0.05 -0.90 -0.02 0.00 -1.02 0.00 0.00 57.90 56.01 2wr4 n TYR 470 Cb 0.43 -0.46 -0.01 0.00 -1.03 0.00 0.00 39.34 38.27 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 -0.81 -0.12 0.11 -0.72 -3.43 -1.26 -4.21 115.29 104.85 2wr4 s HIS 471 Ca 0.14 -0.04 -0.30 0.00 -0.80 0.00 0.00 55.06 54.06 2wr4 s HIS 471 Cb 0.12 0.57 -0.06 0.00 -1.43 0.00 0.00 32.58 31.77 2wr4 s HIS 471 CO 0.02 -0.46 1.13 -1.59 -2.00 0.00 0.00 174.74 171.84 2wr4 s LYS 472 N -2.76 4.52 -0.30 -0.38 0.00 -1.26 -4.90 119.74 114.65 2wr4 s LYS 472 Ca 0.12 1.71 -0.01 0.00 0.00 0.00 0.00 55.97 57.78 2wr4 s LYS 472 Cb 0.01 -3.33 0.10 0.00 0.00 0.00 0.00 37.83 34.61 2wr4 s LYS 472 CO -0.03 -0.08 0.10 0.00 0.00 0.00 0.00 175.35 175.34 2wr4 s ASP 474 N 1.65 4.17 0.65 0.00 1.47 -1.26 -4.61 116.67 118.74 2wr4 s ASP 474 Ca 0.09 0.64 0.30 0.00 1.18 0.00 0.00 52.55 54.76 2wr4 s ASP 474 Cb -0.17 -1.02 1.60 0.00 -0.34 0.00 0.00 42.92 42.98 2wr4 s ASP 474 CO -0.25 -2.10 1.92 0.44 0.68 0.00 0.00 175.17 175.86 2wr4 h ASP 475 N -1.19 0.00 0.64 2.11 5.19 -1.99 0.46 116.42 121.64 2wr4 h ASP 475 Ca -0.46 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 55.68 2wr4 h ASP 475 Cb 1.31 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.79 2wr4 h ASP 475 CO 0.59 0.00 -1.42 -0.33 -3.12 0.00 0.00 179.24 174.96 2wr4 h GLU 476 N 0.00 0.09 -0.07 3.56 4.39 -2.00 -3.17 114.58 117.37 2wr4 h GLU 476 Ca 0.05 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 59.56 2wr4 h GLU 476 Cb 0.76 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.47 2wr4 h GLU 476 CO -0.00 0.89 -0.08 0.00 -1.16 0.00 0.00 179.01 178.66 2wr4 h MET 478 N -0.27 0.26 -0.44 0.00 2.86 -1.07 0.15 114.93 116.42 2wr4 h MET 478 Ca 0.01 -0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.72 2wr4 h MET 478 Cb 0.61 -0.06 -0.09 0.00 0.06 0.00 0.00 31.60 32.12 2wr4 h MET 478 CO 0.02 0.17 -0.13 -0.91 1.06 0.00 0.00 176.91 177.12 2wr4 h ASN 479 N 0.26 -0.46 -0.95 1.22 4.21 -1.52 -0.38 115.58 117.97 2wr4 h ASN 479 Ca 0.49 0.14 0.16 0.00 1.21 0.00 0.00 56.30 58.30 2wr4 h ASN 479 Cb 0.92 0.29 -0.08 0.00 -1.12 0.00 0.00 38.32 38.33 2wr4 h ASN 479 CO -0.58 -0.16 0.60 0.77 -1.29 0.00 0.00 177.43 176.77 2wr4 h SER 480 N -0.02 0.72 0.32 5.81 4.64 -0.65 -1.25 113.55 123.12 2wr4 h SER 480 Ca 0.21 0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.57 2wr4 h SER 480 Cb 0.35 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2wr4 h SER 480 CO -0.47 0.34 -0.15 0.58 -0.87 0.00 0.00 176.83 176.26 2wr4 h VAL 481 N 0.75 0.60 -0.89 0.95 2.07 -0.82 0.52 116.25 119.43 2wr4 h VAL 481 Ca 0.49 -0.70 0.16 0.00 0.82 0.00 0.00 66.70 67.48 2wr4 h VAL 481 Cb 0.77 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 31.38 2wr4 h VAL 481 CO -0.26 0.12 0.58 0.11 0.02 0.00 0.00 177.57 178.14 2wr4 h LYS 482 N -0.86 0.57 -0.57 1.57 1.57 -0.70 -1.71 116.57 116.44 2wr4 h LYS 482 Ca -0.04 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2wr4 h LYS 482 Cb 0.52 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2wr4 h LYS 482 CO 0.07 0.38 0.00 0.27 -0.57 0.00 0.00 179.45 179.60 2wr4 n ASN 483 N -4.55 4.27 -0.02 0.86 6.94 -0.51 -4.97 115.26 117.26 2wr4 n ASN 483 Ca 0.18 -2.37 -0.00 0.00 -0.02 0.00 0.00 54.58 52.37 2wr4 n ASN 483 Cb 0.55 -0.51 -0.00 0.00 -2.36 0.00 0.00 39.78 37.46 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 0.93 0.39 1.58 4.83 0.00 -0.64 -4.89 105.19 107.37 2wr4 n GLY 484 Ca 0.23 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.73 2.15 -1.97 2.61 -2.24 0.17 -4.99 114.28 107.28 2wr4 n THR 485 Ca -0.00 -1.33 -0.41 0.00 -2.27 0.00 0.00 64.05 60.04 2wr4 n THR 485 Cb 0.14 -0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.33 2wr4 n THR 485 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2wr4 s TYR 486 N -2.21 2.88 -0.18 4.78 5.04 -0.30 -4.86 117.35 122.50 2wr4 s TYR 486 Ca 0.50 1.21 -0.02 0.00 -2.44 0.00 0.00 57.07 56.32 2wr4 s TYR 486 Cb 0.35 -3.84 -0.01 0.00 0.35 0.00 0.00 41.96 38.81 2wr4 s TYR 486 CO 0.20 -2.51 -0.10 0.16 -1.34 0.00 0.00 175.55 171.96 2wr4 s ASP 487 N -0.12 3.98 0.11 4.32 3.84 -1.26 -5.00 116.67 122.54 2wr4 s ASP 487 Ca 0.53 -0.41 -0.27 0.00 -0.00 0.00 0.00 52.55 52.40 2wr4 s ASP 487 Cb -0.43 -1.64 -0.08 0.00 -1.38 0.00 0.00 42.92 39.39 2wr4 s ASP 487 CO 0.53 0.05 1.63 0.22 -0.00 0.00 0.00 175.17 177.61 2wr4 h TYR 488 N 7.55 -0.75 -0.55 2.11 3.20 -1.94 -3.28 116.97 123.31 2wr4 h TYR 488 Ca -0.36 0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.63 2wr4 h TYR 488 Cb 1.18 0.32 -0.11 0.00 1.54 0.00 0.00 36.73 39.65 2wr4 h TYR 488 CO 0.53 -0.38 -0.27 -1.35 -1.64 0.00 0.00 178.16 175.06 2wr4 h PRO 489 N -0.48 -0.12 -0.25 1.82 0.11 -1.97 -2.29 132.00 128.81 2wr4 h PRO 489 Ca 0.03 0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.23 2wr4 h PRO 489 Cb 0.52 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.64 2wr4 h PRO 489 CO -0.17 -0.08 0.51 -0.22 -0.21 0.00 0.00 178.00 177.83 2wr4 h LYS 490 N -0.13 0.00 -1.42 1.05 3.64 -2.01 -3.11 116.57 114.59 2wr4 h LYS 490 Ca 0.24 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 59.02 2wr4 h LYS 490 Cb 0.52 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 31.93 2wr4 h LYS 490 CO -0.63 0.00 -0.57 0.66 -2.27 0.00 0.00 179.45 176.64 2wr4 n TYR 491 N -3.22 3.27 -0.55 1.91 4.01 -0.86 -4.88 117.16 116.83 2wr4 n TYR 491 Ca 0.04 -2.90 -0.03 0.00 -0.16 0.00 0.00 57.90 54.85 2wr4 n TYR 491 Cb 0.63 -0.24 -0.04 0.00 -0.31 0.00 0.00 39.34 39.39 2wr4 n TYR 491 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2wr4 n GLU 492 N -0.53 1.10 -3.07 -0.72 -0.58 -1.18 -4.71 120.64 110.95 2wr4 n GLU 492 Ca 0.41 -0.22 -0.45 0.00 -0.42 0.00 0.00 57.16 56.49 2wr4 n GLU 492 Cb 0.68 -1.28 -0.04 0.00 -0.57 0.00 0.00 31.44 30.23 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 0.48 3.11 -0.81 3.49 2.02 -1.26 -5.00 118.70 120.73 2wr4 s GLU 493 Ca 0.15 -1.34 -0.17 0.00 0.02 0.00 0.00 54.97 53.63 2wr4 s GLU 493 Cb 0.07 -4.31 0.16 0.00 0.10 0.00 0.00 34.13 30.15 2wr4 s GLU 493 CO 0.00 -1.58 0.90 -1.21 0.02 0.00 0.00 175.26 173.39 2wr4 s GLU 494 N 2.76 3.47 -0.12 1.61 2.02 -1.26 -4.64 118.70 122.54 2wr4 s GLU 494 Ca 0.14 -1.91 0.00 0.00 0.02 0.00 0.00 54.97 53.23 2wr4 s GLU 494 Cb -0.21 -4.59 0.11 0.00 0.10 0.00 0.00 34.13 29.54 2wr4 s GLU 494 CO 0.05 -1.55 1.66 0.43 0.02 0.00 0.00 175.26 175.87 2wr4 n SER 495 N 5.58 4.68 -0.50 -0.19 7.64 -1.26 -5.18 113.62 124.40 2wr4 n SER 495 Ca 0.13 -2.54 0.14 0.00 1.01 0.00 0.00 58.87 57.60 2wr4 n SER 495 Cb 0.47 -0.87 0.51 0.00 -1.01 0.00 0.00 64.21 63.31 2wr4 n SER 495 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32