#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wr4 s ILE 7 N 0.00 0.96 0.06 -0.39 1.10 -1.01 -1.48 121.20 120.45 2wr4 s ILE 7 Ca 0.00 -0.37 0.09 0.00 -0.51 0.00 0.00 60.65 59.86 2wr4 s ILE 7 Cb 0.00 -0.90 -0.03 0.00 0.15 0.00 0.00 42.46 41.68 2wr4 s ILE 7 CO 0.00 0.32 -0.26 0.00 -2.11 0.00 0.00 174.94 172.89 2wr4 s ILE 9 N -0.87 3.55 0.00 0.00 -1.09 -0.87 -1.00 121.20 120.93 2wr4 s ILE 9 Ca 0.11 -0.88 0.00 0.00 -2.23 0.00 0.00 60.65 57.65 2wr4 s ILE 9 Cb -0.10 -2.86 0.00 0.00 -1.58 0.00 0.00 42.46 37.92 2wr4 s ILE 9 CO 0.03 0.08 0.00 0.61 -1.23 0.00 0.00 174.94 174.42 2wr4 n GLY 10 N 4.78 4.50 3.29 6.18 0.00 -0.51 -4.84 105.19 118.59 2wr4 n GLY 10 Ca -0.15 -1.93 -0.11 0.00 0.00 0.00 0.00 46.02 43.84 2wr4 n GLY 10 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wr4 s TYR 11 N -1.23 -0.13 0.46 1.61 1.13 -1.26 -2.02 117.35 115.91 2wr4 s TYR 11 Ca 0.00 -0.14 -0.24 0.00 -1.41 0.00 0.00 57.07 55.28 2wr4 s TYR 11 Cb 0.00 0.17 -0.07 0.00 -1.10 0.00 0.00 41.96 40.95 2wr4 s TYR 11 CO 0.00 -0.62 1.25 -1.58 -2.51 0.00 0.00 175.55 172.09 2wr4 s HIS 12 N -3.42 2.73 0.05 -3.49 5.65 0.26 -0.39 115.29 116.68 2wr4 s HIS 12 Ca 0.01 1.46 -0.07 0.00 0.25 0.00 0.00 55.06 56.70 2wr4 s HIS 12 Cb 0.02 -3.57 -0.00 0.00 -1.18 0.00 0.00 32.58 27.84 2wr4 s HIS 12 CO -0.09 -2.00 0.15 0.00 -0.65 0.00 0.00 174.74 172.14 2wr4 s ALA 13 N -1.39 -0.18 0.00 1.58 0.00 -1.15 -4.66 121.76 115.96 2wr4 s ALA 13 Ca 0.63 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.09 2wr4 s ALA 13 Cb -0.34 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.08 2wr4 s ALA 13 CO 0.42 -0.38 0.00 0.27 0.00 0.00 0.00 175.76 176.08 2wr4 n ASN 14 N 0.54 0.00 -3.07 0.00 0.23 -1.26 -4.38 115.26 107.31 2wr4 n ASN 14 Ca -0.18 -0.74 -0.39 0.00 -0.53 0.00 0.00 54.58 52.74 2wr4 n ASN 14 Cb 0.60 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.32 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 -0.82 7.40 -4.80 0.53 0.23 -1.26 -4.97 115.26 111.58 2wr4 n ASN 15 Ca 0.00 -3.70 -0.36 0.00 -0.53 0.00 0.00 54.58 49.98 2wr4 n ASN 15 Cb 0.00 -1.12 -0.07 0.00 -2.08 0.00 0.00 39.78 36.51 2wr4 n ASN 15 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2wr4 s SER 16 N -0.92 6.35 0.00 0.53 0.15 -1.26 -4.95 113.70 113.59 2wr4 s SER 16 Ca 0.50 0.41 0.14 0.00 0.70 0.00 0.00 55.95 57.69 2wr4 s SER 16 Cb 0.36 -2.10 0.16 0.00 -1.71 0.00 0.00 66.02 62.73 2wr4 s SER 16 CO -0.31 0.27 1.01 0.35 1.20 0.00 0.00 173.24 175.76 2wr4 n THR 17 N 2.81 0.18 -1.66 6.45 -2.24 -1.26 -4.81 114.28 113.74 2wr4 n THR 17 Ca -0.17 -0.59 -0.46 0.00 -2.27 0.00 0.00 64.05 60.56 2wr4 n THR 17 Cb 0.53 1.15 -0.04 0.00 -2.10 0.00 0.00 70.33 69.87 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 0.79 2.03 -4.81 -0.78 4.07 -1.26 -4.91 120.64 115.77 2wr4 n GLU 18 Ca 0.09 0.73 -0.27 0.00 -0.06 0.00 0.00 57.16 57.66 2wr4 n GLU 18 Cb 0.37 -2.46 -0.15 0.00 -0.06 0.00 0.00 31.44 29.15 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 0.53 1.54 0.29 5.31 1.02 -1.26 -1.21 119.74 125.95 2wr4 s LYS 19 Ca 0.77 -0.89 0.04 0.00 0.02 0.00 0.00 55.97 55.91 2wr4 s LYS 19 Cb -0.70 -1.59 -0.06 0.00 -0.52 0.00 0.00 37.83 34.96 2wr4 s LYS 19 CO 0.42 0.42 0.02 0.14 -0.92 0.00 0.00 175.35 175.42 2wr4 s VAL 20 N -0.69 1.23 0.09 3.17 -7.23 -0.19 -4.93 120.40 111.84 2wr4 s VAL 20 Ca 0.08 -2.04 0.09 0.00 -1.81 0.00 0.00 61.98 58.30 2wr4 s VAL 20 Cb -0.09 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 2wr4 s VAL 20 CO 0.01 -0.16 -0.22 -1.81 -0.31 0.00 0.00 175.10 172.62 2wr4 s ASP 21 N -3.42 3.60 0.44 4.85 1.01 -1.26 -0.80 116.67 121.09 2wr4 s ASP 21 Ca 0.33 -0.58 0.03 0.00 0.71 0.00 0.00 52.55 53.04 2wr4 s ASP 21 Cb 0.07 -0.44 -0.04 0.00 1.01 0.00 0.00 42.92 43.52 2wr4 s ASP 21 CO 0.13 0.21 0.04 0.42 0.21 0.00 0.00 175.17 176.18 2wr4 s THR 22 N -1.01 1.19 0.44 -1.27 -4.23 -0.24 -4.51 115.64 106.01 2wr4 s THR 22 Ca 0.15 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.77 2wr4 s THR 22 Cb -0.10 -2.45 0.29 0.00 1.34 0.00 0.00 72.50 71.57 2wr4 s THR 22 CO 0.06 0.00 2.05 0.40 -0.54 0.00 0.00 174.62 176.59 2wr4 h ILE 23 N 1.64 1.01 0.00 2.99 1.08 -1.79 -3.28 117.51 119.16 2wr4 h ILE 23 Ca -0.41 -0.14 -0.34 0.00 -0.39 0.00 0.00 64.86 63.57 2wr4 h ILE 23 Cb 1.28 0.57 -0.06 0.00 -3.07 0.00 0.00 36.82 35.53 2wr4 h ILE 23 CO 0.71 0.07 -2.24 0.18 -0.69 0.00 0.00 178.15 176.18 2wr4 n LEU 24 N -4.48 0.17 -4.19 1.44 4.77 -1.26 -5.02 117.00 108.42 2wr4 n LEU 24 Ca 0.04 0.08 -0.12 0.00 -0.03 0.00 0.00 56.01 55.99 2wr4 n LEU 24 Cb 0.18 0.42 -0.10 0.00 -2.33 0.00 0.00 43.42 41.59 2wr4 n LEU 24 CO 0.35 0.46 -0.35 -1.61 -1.33 0.00 0.00 177.39 174.90 2wr4 s GLU 25 N -2.54 0.95 0.29 3.23 2.02 -1.24 -5.17 118.70 116.24 2wr4 s GLU 25 Ca -0.09 -1.42 0.10 0.00 0.02 0.00 0.00 54.97 53.58 2wr4 s GLU 25 Cb 0.07 -0.17 -0.05 0.00 0.10 0.00 0.00 34.13 34.08 2wr4 s GLU 25 CO 0.83 -0.09 -0.06 1.03 0.02 0.00 0.00 175.26 176.99 2wr4 s ARG 26 N -3.89 2.04 -0.92 1.61 1.81 -1.26 -1.08 118.95 117.25 2wr4 s ARG 26 Ca 0.18 -1.64 -0.12 0.00 -1.72 0.00 0.00 55.73 52.43 2wr4 s ARG 26 Cb 0.06 -1.96 0.02 0.00 -0.45 0.00 0.00 34.95 32.61 2wr4 s ARG 26 CO -0.01 0.28 0.23 0.09 -0.68 0.00 0.00 175.30 175.21 2wr4 n ASN 27 N -0.83 -1.06 -4.66 0.23 3.02 -1.21 -4.88 115.26 105.88 2wr4 n ASN 27 Ca -0.05 -0.86 -0.41 0.00 -0.03 0.00 0.00 54.58 53.22 2wr4 n ASN 27 Cb 0.60 -1.05 -0.04 0.00 -0.61 0.00 0.00 39.78 38.68 2wr4 n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wr4 s VAL 28 N -3.97 4.87 0.04 2.41 1.01 0.02 -4.86 120.40 119.91 2wr4 s VAL 28 Ca 0.17 1.57 -0.30 0.00 0.00 0.00 0.00 61.98 63.41 2wr4 s VAL 28 Cb -0.09 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 2wr4 s VAL 28 CO 0.66 -0.01 1.26 -0.89 0.00 0.00 0.00 175.10 176.11 2wr4 s THR 29 N 2.45 3.92 0.26 3.92 2.01 -1.26 -1.02 115.64 125.92 2wr4 s THR 29 Ca 0.36 1.35 0.11 0.00 0.31 0.00 0.00 61.69 63.82 2wr4 s THR 29 Cb -0.16 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.44 2wr4 s THR 29 CO 0.10 0.07 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.26 2wr4 s VAL 30 N 1.47 2.75 -0.02 3.82 1.01 -0.35 -1.78 120.40 127.31 2wr4 s VAL 30 Ca 0.60 -2.20 -0.24 0.00 0.00 0.00 0.00 61.98 60.13 2wr4 s VAL 30 Cb -0.30 -2.44 -0.18 0.00 0.00 0.00 0.00 36.38 33.47 2wr4 s VAL 30 CO 0.28 -0.35 1.13 0.74 0.00 0.00 0.00 175.10 176.89 2wr4 h THR 31 N 2.30 1.03 -3.81 3.92 2.02 -0.35 -3.40 112.91 114.60 2wr4 h THR 31 Ca -0.42 -1.00 -0.22 0.00 0.77 0.00 0.00 66.41 65.54 2wr4 h THR 31 Cb 1.25 1.61 -0.26 0.00 -1.74 0.00 0.00 68.15 69.01 2wr4 h THR 31 CO 0.59 0.22 -0.72 -1.00 0.37 0.00 0.00 175.52 174.98 2wr4 s HIS 32 N -4.08 0.11 0.29 3.16 3.76 -1.26 -4.77 115.29 112.49 2wr4 s HIS 32 Ca -0.14 -0.17 0.02 0.00 -0.15 0.00 0.00 55.06 54.62 2wr4 s HIS 32 Cb 0.01 -0.08 -0.06 0.00 1.11 0.00 0.00 32.58 33.57 2wr4 s HIS 32 CO 0.57 -0.06 0.08 0.00 -0.85 0.00 0.00 174.74 174.48 2wr4 s ALA 33 N -0.46 2.01 -0.07 -1.40 0.00 -1.26 -0.12 121.76 120.46 2wr4 s ALA 33 Ca -0.05 -1.95 -0.03 0.00 0.00 0.00 0.00 51.96 49.93 2wr4 s ALA 33 Cb -0.03 0.86 0.04 0.00 0.00 0.00 0.00 23.12 23.99 2wr4 s ALA 33 CO -0.00 -0.39 0.13 0.21 0.00 0.00 0.00 175.76 175.71 2wr4 s LYS 34 N -3.97 0.05 -0.08 0.00 2.20 0.11 -4.81 119.74 113.24 2wr4 s LYS 34 Ca 0.37 0.42 -0.27 0.00 -0.36 0.00 0.00 55.97 56.13 2wr4 s LYS 34 Cb 0.08 -0.24 -0.03 0.00 -1.51 0.00 0.00 37.83 36.14 2wr4 s LYS 34 CO 0.14 -0.22 0.86 0.34 -0.36 0.00 0.00 175.35 176.11 2wr4 s ASP 35 N 1.60 7.13 -0.05 1.43 -1.08 -1.26 -0.75 116.67 123.70 2wr4 s ASP 35 Ca -0.04 1.38 0.15 0.00 -0.52 0.00 0.00 52.55 53.52 2wr4 s ASP 35 Cb -0.12 -2.49 0.47 0.00 -1.46 0.00 0.00 42.92 39.32 2wr4 s ASP 35 CO -0.05 -0.28 1.39 2.30 0.52 0.00 0.00 175.17 179.05 2wr4 n ILE 36 N 4.16 1.36 -3.85 4.11 -5.35 0.01 -4.92 119.36 114.87 2wr4 n ILE 36 Ca 0.04 -1.18 -0.36 0.00 -0.27 0.00 0.00 62.75 60.98 2wr4 n ILE 36 Cb 0.50 0.31 -0.13 0.00 -1.74 0.00 0.00 39.64 38.59 2wr4 n ILE 36 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2wr4 s LEU 37 N -1.45 3.36 -0.05 7.28 2.96 -1.25 -3.53 118.68 126.00 2wr4 s LEU 37 Ca 0.35 -0.21 -0.25 0.00 -0.22 0.00 0.00 54.13 53.80 2wr4 s LEU 37 Cb 0.22 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 2wr4 s LEU 37 CO 0.19 -0.00 0.78 -0.70 -1.32 0.00 0.00 176.35 175.30 2wr4 s GLU 38 N 1.40 4.47 0.00 1.98 2.56 0.14 -4.92 118.70 124.34 2wr4 s GLU 38 Ca 0.05 1.03 0.00 0.00 0.00 0.00 0.00 54.97 56.05 2wr4 s GLU 38 Cb -0.15 -3.45 0.00 0.00 2.00 0.00 0.00 34.13 32.53 2wr4 s GLU 38 CO 0.02 0.04 0.00 1.63 -0.56 0.00 0.00 175.26 176.39 2wr4 n LYS 39 N 3.80 4.62 -3.87 4.30 5.02 -1.26 -2.55 118.16 128.21 2wr4 n LYS 39 Ca 0.01 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.93 2wr4 n LYS 39 Cb 0.51 -0.46 -0.06 0.00 -0.02 0.00 0.00 35.03 35.00 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 -0.87 5.50 0.33 -0.18 -4.23 -1.26 -4.83 115.64 110.09 2wr4 s THR 40 Ca 0.00 0.22 0.04 0.00 -1.18 0.00 0.00 61.69 60.77 2wr4 s THR 40 Cb 0.00 -3.41 -0.06 0.00 1.34 0.00 0.00 72.50 70.37 2wr4 s THR 40 CO 0.00 0.62 0.04 -1.38 -0.54 0.00 0.00 174.62 173.36 2wr4 s HIS 41 N -1.03 2.00 -1.84 3.99 -3.43 -1.26 -4.72 115.29 108.99 2wr4 s HIS 41 Ca 0.15 -0.91 0.18 0.00 -0.80 0.00 0.00 55.06 53.68 2wr4 s HIS 41 Cb -0.12 -1.30 0.56 0.00 -1.43 0.00 0.00 32.58 30.29 2wr4 s HIS 41 CO 0.04 0.06 1.46 0.27 -2.00 0.00 0.00 174.74 174.58 2wr4 n ASN 42 N -0.69 3.47 -1.44 7.38 0.23 -0.90 -4.93 115.26 118.37 2wr4 n ASN 42 Ca -0.03 -2.08 -0.17 0.00 -0.53 0.00 0.00 54.58 51.78 2wr4 n ASN 42 Cb 0.66 -0.44 -0.07 0.00 -2.08 0.00 0.00 39.78 37.85 2wr4 n ASN 42 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wr4 n GLY 43 N 1.39 1.58 3.44 4.83 0.00 -1.25 -4.81 105.19 110.38 2wr4 n GLY 43 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.40 1.65 -0.31 1.61 1.02 -1.26 -4.72 119.74 114.33 2wr4 s LYS 44 Ca 0.00 -1.23 -0.23 0.00 0.02 0.00 0.00 55.97 54.53 2wr4 s LYS 44 Cb 0.00 -2.03 0.00 0.00 -0.52 0.00 0.00 37.83 35.28 2wr4 s LYS 44 CO 0.00 0.47 0.77 -0.51 -0.92 0.00 0.00 175.35 175.17 2wr4 s LEU 45 N -2.03 4.10 0.47 3.17 1.43 -1.26 -2.30 118.68 122.25 2wr4 s LEU 45 Ca 0.16 0.61 0.05 0.00 -1.03 0.00 0.00 54.13 53.92 2wr4 s LEU 45 Cb -0.10 -3.05 -0.03 0.00 0.03 0.00 0.00 46.19 43.04 2wr4 s LEU 45 CO 0.08 -0.62 0.16 0.00 0.23 0.00 0.00 176.35 176.20 2wr4 s ARG 47 N -3.95 4.01 -0.40 0.00 1.70 -1.25 -4.65 118.95 114.40 2wr4 s ARG 47 Ca 0.29 0.76 -0.11 0.00 -0.47 0.00 0.00 55.73 56.21 2wr4 s ARG 47 Cb 0.03 -2.33 0.05 0.00 -0.57 0.00 0.00 34.95 32.12 2wr4 s ARG 47 CO 0.16 0.03 0.24 -1.17 -1.08 0.00 0.00 175.30 173.48 2wr4 s LEU 48 N -3.31 4.93 -1.45 -1.89 2.96 0.20 -2.49 118.68 117.63 2wr4 s LEU 48 Ca 0.56 -1.20 -0.08 0.00 -0.22 0.00 0.00 54.13 53.18 2wr4 s LEU 48 Cb -0.10 -2.02 0.05 0.00 0.50 0.00 0.00 46.19 44.62 2wr4 s LEU 48 CO 0.21 -0.46 0.86 -1.20 -1.32 0.00 0.00 176.35 174.43 2wr4 n SER 49 N 4.98 -3.31 0.00 3.68 7.64 -0.97 -2.20 113.62 123.44 2wr4 n SER 49 Ca -0.11 -0.80 0.00 0.00 1.01 0.00 0.00 58.87 58.96 2wr4 n SER 49 Cb 0.45 -3.90 0.00 0.00 -1.01 0.00 0.00 64.21 59.74 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 -1.67 0.40 3.12 0.23 0.00 -1.26 -5.05 105.19 100.97 2wr4 n GLY 50 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.14 1.75 0.93 -0.61 1.01 -0.93 -5.06 121.20 116.14 2wr4 s ILE 51 Ca 0.00 -0.81 -0.11 0.00 0.00 0.00 0.00 60.65 59.73 2wr4 s ILE 51 Cb 0.00 -1.56 0.15 0.00 0.01 0.00 0.00 42.46 41.06 2wr4 s ILE 51 CO 0.00 0.49 1.10 -2.84 0.00 0.00 0.00 174.94 173.69 2wr4 s PRO 52 N 0.74 0.97 0.30 2.79 0.02 -1.26 0.62 135.00 139.18 2wr4 s PRO 52 Ca -0.11 1.10 -0.13 0.00 0.02 0.00 0.00 61.00 61.88 2wr4 s PRO 52 Cb -0.16 -1.75 -0.08 0.00 0.02 0.00 0.00 34.50 32.52 2wr4 s PRO 52 CO 0.02 -2.52 0.68 -1.25 -0.33 0.00 0.00 177.00 173.60 2wr4 s PRO 53 N -4.76 3.95 -0.01 5.54 0.05 -1.26 -0.02 135.00 138.48 2wr4 s PRO 53 Ca 0.65 0.56 -0.30 0.00 0.05 0.00 0.00 61.00 61.96 2wr4 s PRO 53 Cb -0.20 -2.49 -0.06 0.00 0.05 0.00 0.00 34.50 31.80 2wr4 s PRO 53 CO 0.58 0.20 1.47 -1.17 0.05 0.00 0.00 177.00 178.14 2wr4 s LEU 54 N -2.94 4.31 -0.37 -3.56 2.96 0.49 -4.88 118.68 114.69 2wr4 s LEU 54 Ca 0.52 2.15 -0.10 0.00 -0.22 0.00 0.00 54.13 56.49 2wr4 s LEU 54 Cb -0.10 -3.55 0.04 0.00 0.50 0.00 0.00 46.19 43.07 2wr4 s LEU 54 CO 0.18 -0.78 0.19 -1.61 -1.32 0.00 0.00 176.35 173.01 2wr4 s GLU 55 N 2.82 2.73 0.00 1.98 2.02 -1.26 -0.60 118.70 126.39 2wr4 s GLU 55 Ca 0.66 -1.16 0.17 0.00 0.02 0.00 0.00 54.97 54.66 2wr4 s GLU 55 Cb -0.32 -3.67 0.73 0.00 0.10 0.00 0.00 34.13 30.97 2wr4 s GLU 55 CO 0.27 -0.73 1.51 1.28 0.02 0.00 0.00 175.26 177.61 2wr4 n LEU 56 N 4.94 1.11 0.00 1.80 4.77 -0.87 -4.93 117.00 123.82 2wr4 n LEU 56 Ca -0.12 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 2wr4 n LEU 56 Cb 0.45 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2wr4 n LEU 56 CO 0.36 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 2wr4 n GLY 57 N 0.98 4.01 2.27 -0.72 0.00 -1.26 -0.21 105.19 110.26 2wr4 n GLY 57 Ca 0.14 0.19 -0.20 0.00 0.00 0.00 0.00 46.02 46.15 2wr4 n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wr4 n ASP 58 N 8.12 4.14 -4.97 1.61 5.68 -1.26 -4.33 116.55 125.54 2wr4 n ASP 58 Ca 0.00 -3.39 -0.21 0.00 -0.50 0.00 0.00 54.79 50.68 2wr4 n ASP 58 Cb 0.00 -0.39 -0.01 0.00 -1.14 0.00 0.00 41.12 39.57 2wr4 n ASP 58 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wr4 s SER 60 N -4.06 5.89 0.19 0.00 1.04 -0.59 -4.77 113.70 111.40 2wr4 s SER 60 Ca 0.39 -0.23 -0.12 0.00 0.48 0.00 0.00 55.95 56.47 2wr4 s SER 60 Cb -0.09 -1.16 0.14 0.00 0.10 0.00 0.00 66.02 65.01 2wr4 s SER 60 CO 0.32 -0.46 1.83 0.40 0.98 0.00 0.00 173.24 176.30 2wr4 h ILE 61 N 0.89 1.07 -0.12 -1.02 2.04 -1.96 0.76 117.51 119.17 2wr4 h ILE 61 Ca -0.45 -0.24 0.05 0.00 1.00 0.00 0.00 64.86 65.21 2wr4 h ILE 61 Cb 1.26 0.29 -0.06 0.00 -0.74 0.00 0.00 36.82 37.57 2wr4 h ILE 61 CO 0.52 0.13 -0.27 0.00 0.00 0.00 0.00 178.15 178.54 2wr4 h ALA 62 N 1.26 -0.27 -0.50 1.87 0.00 -1.95 0.25 119.26 119.92 2wr4 h ALA 62 Ca 0.24 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.25 2wr4 h ALA 62 Cb 0.03 0.51 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 2wr4 h ALA 62 CO -0.10 -0.74 0.17 0.78 0.00 0.00 0.00 179.25 179.36 2wr4 h GLY 63 N -0.34 0.67 0.97 0.00 0.00 -1.53 -1.54 103.07 101.30 2wr4 h GLY 63 Ca 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 2wr4 h GLY 63 CO -0.32 0.00 -0.05 -0.25 0.00 0.00 0.00 176.54 175.92 2wr4 h TRP 64 N 0.35 -0.14 -0.11 5.60 7.01 -0.30 -0.09 115.95 128.27 2wr4 h TRP 64 Ca 0.24 -0.00 -0.09 0.00 2.11 0.00 0.00 58.89 61.15 2wr4 h TRP 64 Cb 0.27 0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.36 2wr4 h TRP 64 CO -0.17 -0.06 -0.32 -0.07 -2.79 0.00 0.00 178.44 175.03 2wr4 h LEU 65 N -0.18 0.21 0.00 0.65 3.38 -0.68 -2.82 115.31 115.88 2wr4 h LEU 65 Ca -0.02 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 2wr4 h LEU 65 Cb 0.14 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2wr4 h LEU 65 CO 0.03 0.53 -0.57 -0.07 0.09 0.00 0.00 178.44 178.45 2wr4 h LEU 66 N 0.19 0.00 -1.30 1.67 3.38 -1.24 -3.46 115.31 114.55 2wr4 h LEU 66 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2wr4 h LEU 66 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2wr4 h LEU 66 CO 0.05 0.55 0.00 0.61 0.09 0.00 0.00 178.44 179.74 2wr4 n GLY 67 N 1.24 0.50 3.68 0.83 0.00 -0.62 -1.62 105.19 109.20 2wr4 n GLY 67 Ca 0.02 -0.34 -0.45 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.54 3.12 -0.06 1.61 2.85 -0.14 0.62 115.26 122.73 2wr4 n ASN 68 Ca 0.00 1.10 0.25 0.00 -0.11 0.00 0.00 54.58 55.81 2wr4 n ASN 68 Cb 0.34 -1.44 0.70 0.00 1.24 0.00 0.00 39.78 40.61 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 5.62 0.00 -0.07 1.20 0.11 -1.90 0.19 132.00 137.15 2wr4 h PRO 69 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2wr4 h PRO 69 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2wr4 h PRO 69 CO 0.86 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.04 2wr4 n GLU 70 N -3.80 1.27 -0.21 1.05 -0.58 -1.26 -3.40 120.64 113.71 2wr4 n GLU 70 Ca 0.14 -0.40 0.08 0.00 -0.42 0.00 0.00 57.16 56.56 2wr4 n GLU 70 Cb 0.90 -1.30 0.17 0.00 -0.57 0.00 0.00 31.44 30.64 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 0.87 0.63 -2.33 0.00 3.45 -1.67 -3.28 116.42 114.08 2wr4 h ASP 72 Ca 0.00 -0.22 -0.73 0.00 0.43 0.00 0.00 57.03 56.51 2wr4 h ASP 72 Cb 1.09 -0.17 -0.33 0.00 -0.56 0.00 0.00 39.33 39.36 2wr4 h ASP 72 CO 0.08 0.86 0.40 0.54 -1.57 0.00 0.00 179.24 179.55 2wr4 n ARG 73 N -4.11 4.51 -0.03 3.56 1.74 -1.26 -4.71 116.66 116.36 2wr4 n ARG 73 Ca -0.00 -4.72 0.05 0.00 -0.77 0.00 0.00 57.85 52.41 2wr4 n ARG 73 Cb 0.42 -2.39 -0.14 0.00 -1.02 0.00 0.00 32.46 29.33 2wr4 n ARG 73 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2wr4 n LEU 74 N 0.08 0.00 -2.12 0.55 4.77 -1.24 -5.08 117.00 113.97 2wr4 n LEU 74 Ca 0.39 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.34 2wr4 n LEU 74 Cb 0.32 0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 2wr4 n LEU 74 CO 0.48 0.10 -0.36 -0.11 -1.33 0.00 0.00 177.39 176.17 2wr4 n LEU 75 N -2.25 -4.51 -4.30 2.23 7.94 -1.26 -4.89 117.00 109.96 2wr4 n LEU 75 Ca -0.09 1.19 -0.43 0.00 -1.11 0.00 0.00 56.01 55.56 2wr4 n LEU 75 Cb 0.61 -2.28 -0.07 0.00 0.53 0.00 0.00 43.42 42.21 2wr4 n LEU 75 CO 0.38 -2.16 0.03 -0.55 -1.11 0.00 0.00 177.39 173.98 2wr4 s SER 76 N -0.48 5.96 0.70 1.96 0.15 -1.26 -4.82 113.70 115.91 2wr4 s SER 76 Ca -0.13 -1.64 -0.14 0.00 0.70 0.00 0.00 55.95 54.75 2wr4 s SER 76 Cb 0.01 -2.11 0.02 0.00 -1.71 0.00 0.00 66.02 62.23 2wr4 s SER 76 CO 0.44 -0.70 1.13 0.68 1.20 0.00 0.00 173.24 175.99 2wr4 s VAL 77 N 1.52 3.04 -2.46 4.45 -7.23 -1.26 -4.96 120.40 113.50 2wr4 s VAL 77 Ca 0.04 0.45 0.25 0.00 -1.81 0.00 0.00 61.98 60.91 2wr4 s VAL 77 Cb -0.26 -2.95 0.49 0.00 0.56 0.00 0.00 36.38 34.21 2wr4 s VAL 77 CO 0.03 -0.33 1.62 -2.65 -0.31 0.00 0.00 175.10 173.47 2wr4 n PRO 78 N -2.75 1.78 0.02 4.82 -0.02 -1.26 -4.79 135.00 132.80 2wr4 n PRO 78 Ca 0.11 -1.14 0.00 0.00 -2.02 0.00 0.00 63.50 60.44 2wr4 n PRO 78 Cb 0.52 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.55 2wr4 n PRO 78 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2wr4 n GLU 79 N 0.37 0.00 -1.16 -0.52 2.13 -1.26 -1.75 120.64 118.45 2wr4 n GLU 79 Ca 0.18 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.00 2wr4 n GLU 79 Cb 0.38 -0.07 0.00 0.00 0.27 0.00 0.00 31.44 32.02 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 -2.74 -1.05 0.28 4.31 2.14 -1.25 -3.50 117.44 115.63 2wr4 n TRP 80 Ca 0.00 0.56 0.04 0.00 2.07 0.00 0.00 57.50 60.16 2wr4 n TRP 80 Cb 0.00 -1.18 -0.05 0.00 -0.81 0.00 0.00 31.31 29.27 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 -1.06 0.98 -3.40 -0.67 3.41 0.97 -2.78 113.62 111.07 2wr4 n SER 81 Ca 0.00 -0.53 -0.05 0.00 -0.26 0.00 0.00 58.87 58.03 2wr4 n SER 81 Cb 0.01 1.08 0.01 0.00 -0.26 0.00 0.00 64.21 65.04 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 -1.89 -0.00 -0.03 7.33 -0.85 -1.25 -4.69 117.35 115.97 2wr4 s TYR 82 Ca 0.02 -0.46 0.06 0.00 -0.52 0.00 0.00 57.07 56.17 2wr4 s TYR 82 Cb 0.06 0.73 -0.02 0.00 0.38 0.00 0.00 41.96 43.10 2wr4 s TYR 82 CO 0.31 -1.13 -0.22 0.42 -1.52 0.00 0.00 175.55 173.41 2wr4 s ILE 83 N -2.73 2.40 -0.26 -3.49 1.01 -0.97 -0.38 121.20 116.78 2wr4 s ILE 83 Ca 0.16 -0.98 -0.06 0.00 0.00 0.00 0.00 60.65 59.77 2wr4 s ILE 83 Cb -0.03 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.55 2wr4 s ILE 83 CO 0.07 0.58 0.05 -0.69 0.00 0.00 0.00 174.94 174.94 2wr4 s VAL 84 N -0.64 3.97 0.03 2.92 1.01 0.23 0.39 120.40 128.31 2wr4 s VAL 84 Ca 0.10 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.70 2wr4 s VAL 84 Cb -0.10 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 2wr4 s VAL 84 CO -0.00 0.27 -0.12 -0.70 0.00 0.00 0.00 175.10 174.55 2wr4 s GLU 85 N 1.54 0.82 0.48 2.72 2.12 -1.02 -2.04 118.70 123.32 2wr4 s GLU 85 Ca 0.05 -0.66 -0.22 0.00 0.36 0.00 0.00 54.97 54.49 2wr4 s GLU 85 Cb -0.16 -0.79 -0.07 0.00 0.26 0.00 0.00 34.13 33.37 2wr4 s GLU 85 CO 0.02 0.19 1.14 0.15 -0.54 0.00 0.00 175.26 176.22 2wr4 s LYS 86 N -1.01 3.70 0.61 4.30 -0.14 -1.25 -2.09 119.74 123.85 2wr4 s LYS 86 Ca 0.00 1.70 0.27 0.00 -1.36 0.00 0.00 55.97 56.57 2wr4 s LYS 86 Cb -0.07 -2.31 1.24 0.00 -1.68 0.00 0.00 37.83 35.00 2wr4 s LYS 86 CO 0.01 -0.58 1.66 1.49 -0.76 0.00 0.00 175.35 177.16 2wr4 h GLU 87 N 1.86 0.00 -1.06 1.68 4.57 -1.89 -3.30 114.58 116.45 2wr4 h GLU 87 Ca -0.49 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 57.53 2wr4 h GLU 87 Cb 1.25 0.00 -0.17 0.00 -0.16 0.00 0.00 28.75 29.66 2wr4 h GLU 87 CO 0.60 0.00 -0.50 1.21 -1.18 0.00 0.00 179.01 179.13 2wr4 s ASN 88 N -4.43 -1.33 0.54 1.04 3.84 -1.26 -5.10 114.94 108.24 2wr4 s ASN 88 Ca -0.03 -1.63 -0.22 0.00 0.21 0.00 0.00 52.86 51.19 2wr4 s ASN 88 Cb 0.13 1.81 -0.05 0.00 -0.55 0.00 0.00 41.25 42.59 2wr4 s ASN 88 CO 0.45 -0.08 1.31 -2.84 -2.79 0.00 0.00 177.10 173.16 2wr4 s PRO 89 N 1.01 3.21 0.00 0.43 0.02 -1.24 -4.94 135.00 133.48 2wr4 s PRO 89 Ca 0.28 2.11 0.25 0.00 0.02 0.00 0.00 61.00 63.66 2wr4 s PRO 89 Cb -0.01 -2.24 0.50 0.00 0.02 0.00 0.00 34.50 32.77 2wr4 s PRO 89 CO -0.06 -1.10 1.40 0.25 -0.33 0.00 0.00 177.00 177.16 2wr4 n THR 90 N -1.02 0.00 -3.69 0.99 -2.24 -0.99 -4.73 114.28 102.59 2wr4 n THR 90 Ca 0.10 -0.08 -0.30 0.00 -2.27 0.00 0.00 64.05 61.51 2wr4 n THR 90 Cb 0.46 0.48 -0.13 0.00 -2.10 0.00 0.00 70.33 69.04 2wr4 n THR 90 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2wr4 s ASN 91 N -2.73 3.68 0.00 3.42 0.01 -0.93 -5.04 114.94 113.36 2wr4 s ASN 91 Ca 0.17 -2.34 0.00 0.00 -0.71 0.00 0.00 52.86 49.98 2wr4 s ASN 91 Cb 0.18 -0.94 0.00 0.00 0.41 0.00 0.00 41.25 40.91 2wr4 s ASN 91 CO 0.63 -0.31 0.00 0.61 -1.51 0.00 0.00 177.10 176.52 2wr4 n GLY 92 N 3.91 2.35 3.57 0.66 0.00 -1.26 -1.55 105.19 112.88 2wr4 n GLY 92 Ca 0.06 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 3.33 0.26 0.99 1.43 -1.26 -4.25 118.68 119.18 2wr4 s LEU 93 Ca 0.00 -1.69 -0.02 0.00 -1.03 0.00 0.00 54.13 51.39 2wr4 s LEU 93 Cb 0.00 -2.58 0.47 0.00 0.03 0.00 0.00 46.19 44.11 2wr4 s LEU 93 CO 0.00 -2.34 1.81 0.00 0.23 0.00 0.00 176.35 176.06 2wr4 s TYR 95 N -6.00 3.50 0.54 0.00 5.04 -1.26 -4.65 117.35 114.53 2wr4 s TYR 95 Ca -0.12 0.98 -0.21 0.00 -2.44 0.00 0.00 57.07 55.28 2wr4 s TYR 95 Cb 0.21 -2.67 -0.05 0.00 0.35 0.00 0.00 41.96 39.80 2wr4 s TYR 95 CO 0.79 0.07 1.24 -1.25 -1.34 0.00 0.00 175.55 175.07 2wr4 s PRO 96 N 0.95 3.22 0.00 4.97 0.04 -1.25 -4.75 135.00 138.18 2wr4 s PRO 96 Ca 0.29 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.27 2wr4 s PRO 96 Cb -0.16 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.23 2wr4 s PRO 96 CO 0.12 -1.04 0.00 0.41 0.04 0.00 0.00 177.00 176.54 2wr4 n GLY 97 N 0.56 -0.62 3.29 0.56 0.00 -1.26 -0.45 105.19 107.28 2wr4 n GLY 97 Ca 0.11 -0.99 -0.16 0.00 0.00 0.00 0.00 46.02 44.99 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 1.04 -0.22 1.61 1.04 -0.87 -4.92 113.70 107.38 2wr4 s SER 98 Ca 0.00 -1.37 0.01 0.00 0.48 0.00 0.00 55.95 55.07 2wr4 s SER 98 Cb 0.00 0.19 0.05 0.00 0.10 0.00 0.00 66.02 66.36 2wr4 s SER 98 CO 0.00 -0.73 -0.07 0.12 0.98 0.00 0.00 173.24 173.54 2wr4 s PHE 99 N -3.81 2.34 0.30 5.02 5.36 -1.26 -1.72 117.98 124.21 2wr4 s PHE 99 Ca 0.37 -1.64 -0.30 0.00 -0.96 0.00 0.00 56.93 54.40 2wr4 s PHE 99 Cb 0.08 -1.57 -0.12 0.00 -0.34 0.00 0.00 43.02 41.06 2wr4 s PHE 99 CO 0.13 -0.75 1.53 0.09 -1.46 0.00 0.00 175.22 174.76 2wr4 n ASN 100 N 4.69 3.60 -3.77 6.13 3.02 0.04 -2.91 115.26 126.07 2wr4 n ASN 100 Ca -0.13 1.16 -0.23 0.00 -0.03 0.00 0.00 54.58 55.35 2wr4 n ASN 100 Cb 0.45 -1.56 0.02 0.00 -0.61 0.00 0.00 39.78 38.08 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 1.84 -1.30 -0.07 6.41 8.00 -1.26 -4.73 116.55 125.44 2wr4 n ASP 101 Ca 0.08 -0.85 -0.12 0.00 0.71 0.00 0.00 54.79 54.61 2wr4 n ASP 101 Cb 0.36 -3.85 -0.05 0.00 -0.02 0.00 0.00 41.12 37.56 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 -1.88 0.45 -0.71 1.24 3.20 -1.94 -2.52 116.97 114.80 2wr4 h TYR 102 Ca -0.61 -0.10 -0.04 0.00 3.14 0.00 0.00 58.73 61.12 2wr4 h TYR 102 Cb 1.36 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 39.49 2wr4 h TYR 102 CO 0.48 0.65 0.30 0.93 -1.64 0.00 0.00 178.16 178.88 2wr4 h GLU 103 N 0.11 1.05 -0.73 1.82 3.07 -1.90 -0.76 114.58 117.24 2wr4 h GLU 103 Ca 0.05 -0.17 -0.01 0.00 -0.50 0.00 0.00 59.36 58.73 2wr4 h GLU 103 Cb 0.51 -0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 28.21 2wr4 h GLU 103 CO 0.02 0.84 0.40 0.93 -1.40 0.00 0.00 179.01 179.80 2wr4 h GLU 104 N 1.03 1.00 -0.23 2.33 4.39 -1.92 0.40 114.58 121.57 2wr4 h GLU 104 Ca 0.24 -0.10 -0.08 0.00 0.34 0.00 0.00 59.36 59.76 2wr4 h GLU 104 Cb 0.17 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 2wr4 h GLU 104 CO -0.02 0.73 -0.15 1.25 -1.16 0.00 0.00 179.01 179.65 2wr4 h LEU 105 N 1.01 0.54 -0.78 1.33 5.85 -0.92 -1.95 115.31 120.39 2wr4 h LEU 105 Ca 0.26 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2wr4 h LEU 105 Cb 0.02 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 2wr4 h LEU 105 CO -0.04 0.86 0.46 0.11 -0.34 0.00 0.00 178.44 179.49 2wr4 h LYS 106 N 0.22 1.07 -0.14 1.25 1.57 -0.81 -1.88 116.57 117.85 2wr4 h LYS 106 Ca 0.05 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 2wr4 h LYS 106 Cb 0.67 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2wr4 h LYS 106 CO 0.04 0.76 -0.16 1.25 -0.57 0.00 0.00 179.45 180.78 2wr4 h HIS 107 N 1.07 0.23 -0.43 -1.35 2.76 -0.84 -1.68 115.15 114.91 2wr4 h HIS 107 Ca 0.28 -0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.28 2wr4 h HIS 107 Cb -0.02 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 28.86 2wr4 h HIS 107 CO -0.00 0.38 -0.29 1.25 -1.30 0.00 0.00 177.93 177.97 2wr4 h LEU 108 N 0.21 0.99 -0.36 0.26 7.12 -0.62 -3.10 115.31 119.81 2wr4 h LEU 108 Ca 0.04 -0.41 0.00 0.00 0.13 0.00 0.00 57.88 57.64 2wr4 h LEU 108 Cb 0.41 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 40.27 2wr4 h LEU 108 CO 0.03 1.20 -0.06 0.18 -0.13 0.00 0.00 178.44 179.66 2wr4 n LEU 109 N -4.09 0.61 -0.31 2.25 4.77 -0.78 -4.22 117.00 115.24 2wr4 n LEU 109 Ca -0.01 -0.12 0.22 0.00 -0.03 0.00 0.00 56.01 56.06 2wr4 n LEU 109 Cb 0.49 -0.09 0.50 0.00 -2.33 0.00 0.00 43.42 42.00 2wr4 n LEU 109 CO 0.47 0.11 1.22 0.00 -1.33 0.00 0.00 177.39 177.86 2wr4 h THR 110 N 0.87 0.57 -2.47 -5.08 1.03 -1.25 -3.43 112.91 103.16 2wr4 h THR 110 Ca 0.00 -0.14 -0.09 0.00 -0.01 0.00 0.00 66.41 66.17 2wr4 h THR 110 Cb 0.30 0.13 -0.23 0.00 -1.07 0.00 0.00 68.15 67.28 2wr4 h THR 110 CO 0.00 0.07 -0.11 -0.55 -0.01 0.00 0.00 175.52 174.93 2wr4 s SER 111 N -5.36 -0.56 0.04 0.00 0.15 -1.26 -3.77 113.70 102.94 2wr4 s SER 111 Ca -0.09 1.06 -0.11 0.00 0.70 0.00 0.00 55.95 57.52 2wr4 s SER 111 Cb 0.25 1.06 0.01 0.00 -1.71 0.00 0.00 66.02 65.63 2wr4 s SER 111 CO 0.79 -0.18 0.23 -0.69 1.20 0.00 0.00 173.24 174.59 2wr4 s VAL 112 N 0.39 0.10 0.00 4.45 1.01 -1.12 -4.84 120.40 120.40 2wr4 s VAL 112 Ca -0.01 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 2wr4 s VAL 112 Cb -0.04 -0.90 -0.00 0.00 0.00 0.00 0.00 36.38 35.44 2wr4 s VAL 112 CO -0.01 -0.44 1.01 0.71 0.00 0.00 0.00 175.10 176.37 2wr4 h THR 113 N 3.41 0.00 -2.35 3.92 1.35 0.40 -3.41 112.91 116.23 2wr4 h THR 113 Ca -0.32 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 2wr4 h THR 113 Cb 1.19 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 67.61 2wr4 h THR 113 CO 0.47 0.00 -0.06 1.57 -0.25 0.00 0.00 175.52 177.25 2wr4 n HIS 114 N -2.19 -0.23 -3.31 4.73 -0.00 -0.72 -4.68 115.22 108.82 2wr4 n HIS 114 Ca -0.00 0.14 0.03 0.00 -0.00 0.00 0.00 57.72 57.88 2wr4 n HIS 114 Cb 0.01 -1.98 -0.02 0.00 -0.00 0.00 0.00 29.99 27.99 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 -0.03 -1.11 0.01 1.57 2.19 -0.72 -2.14 117.98 117.75 2wr4 s PHE 115 Ca -0.00 1.48 0.01 0.00 0.33 0.00 0.00 56.93 58.74 2wr4 s PHE 115 Cb 0.00 0.50 -0.01 0.00 -1.31 0.00 0.00 43.02 42.20 2wr4 s PHE 115 CO 0.01 -0.58 -0.03 -1.83 1.83 0.00 0.00 175.22 174.61 2wr4 s GLU 116 N 2.79 0.25 0.07 10.12 -1.05 -0.42 -4.63 118.70 125.83 2wr4 s GLU 116 Ca 0.05 -0.23 -0.26 0.00 -0.15 0.00 0.00 54.97 54.38 2wr4 s GLU 116 Cb -0.11 -0.17 -0.06 0.00 -0.44 0.00 0.00 34.13 33.36 2wr4 s GLU 116 CO -0.18 0.04 0.81 0.21 0.95 0.00 0.00 175.26 177.09 2wr4 s LYS 117 N -0.41 4.54 -0.01 -4.83 2.20 -1.26 -0.78 119.74 119.20 2wr4 s LYS 117 Ca -0.02 1.16 0.03 0.00 -0.36 0.00 0.00 55.97 56.77 2wr4 s LYS 117 Cb -0.03 -3.36 -0.01 0.00 -1.51 0.00 0.00 37.83 32.92 2wr4 s LYS 117 CO -0.00 0.28 -0.10 0.42 -0.36 0.00 0.00 175.35 175.59 2wr4 s ILE 118 N -0.09 0.76 -0.55 5.43 1.01 0.30 -4.95 121.20 123.10 2wr4 s ILE 118 Ca 0.40 -0.40 -0.25 0.00 0.00 0.00 0.00 60.65 60.39 2wr4 s ILE 118 Cb -0.21 -0.64 0.04 0.00 0.01 0.00 0.00 42.46 41.65 2wr4 s ILE 118 CO 0.25 0.22 1.01 -0.75 0.00 0.00 0.00 174.94 175.67 2wr4 s LYS 119 N -0.18 3.40 -0.19 2.79 2.20 -1.26 -0.39 119.74 126.11 2wr4 s LYS 119 Ca 0.03 -0.07 0.14 0.00 -0.36 0.00 0.00 55.97 55.71 2wr4 s LYS 119 Cb -0.04 -4.03 -0.23 0.00 -1.51 0.00 0.00 37.83 32.02 2wr4 s LYS 119 CO -0.00 -1.52 0.09 0.44 -0.36 0.00 0.00 175.35 174.00 2wr4 n ILE 120 N 6.36 1.45 -3.39 5.43 -5.35 -0.44 -4.76 119.36 118.66 2wr4 n ILE 120 Ca 0.04 -0.79 -0.26 0.00 -0.27 0.00 0.00 62.75 61.47 2wr4 n ILE 120 Cb 0.48 -0.74 -0.09 0.00 -1.74 0.00 0.00 39.64 37.55 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 -2.90 0.61 -4.56 7.28 4.77 -0.64 -4.95 117.00 116.61 2wr4 n LEU 121 Ca -0.33 -4.70 -0.49 0.00 -0.03 0.00 0.00 56.01 50.46 2wr4 n LEU 121 Cb 1.11 0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 42.46 2wr4 n LEU 121 CO 0.40 1.94 0.61 -2.65 -1.33 0.00 0.00 177.39 176.37 2wr4 n PRO 122 N 2.02 0.98 -0.07 3.23 -0.02 -1.26 -4.46 135.00 135.42 2wr4 n PRO 122 Ca 0.26 0.35 -0.07 0.00 -2.02 0.00 0.00 63.50 62.02 2wr4 n PRO 122 Cb 0.47 -1.78 -0.01 0.00 -0.02 0.00 0.00 33.50 32.17 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 2.93 -0.08 0.00 -0.52 3.08 -1.95 -2.85 114.38 114.99 2wr4 h ARG 123 Ca -0.42 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.64 2wr4 h ARG 123 Cb 1.36 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.43 2wr4 h ARG 123 CO 0.67 -0.06 0.00 0.38 -1.07 0.00 0.00 179.97 179.89 2wr4 h ASP 124 N -0.09 0.00 0.58 7.04 -0.00 -2.01 -1.43 116.42 120.52 2wr4 h ASP 124 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.18 2wr4 h ASP 124 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.65 2wr4 h ASP 124 CO -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 179.24 178.89 2wr4 n GLN 125 N -2.32 0.28 -1.82 4.15 6.02 -1.07 -3.95 117.38 118.67 2wr4 n GLN 125 Ca -0.01 0.04 -0.42 0.00 -0.01 0.00 0.00 57.00 56.61 2wr4 n GLN 125 Cb 0.09 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.85 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 -1.34 3.47 0.08 1.08 7.02 -0.54 -4.79 117.44 122.41 2wr4 n TRP 126 Ca 0.11 -2.95 -0.02 0.00 -1.02 0.00 0.00 57.50 53.62 2wr4 n TRP 126 Cb 0.23 -2.48 0.23 0.00 -2.42 0.00 0.00 31.31 26.87 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 3.98 1.29 -0.39 -0.99 1.03 -1.86 -2.86 112.91 113.10 2wr4 h THR 127 Ca 0.54 -1.40 0.00 0.00 -0.01 0.00 0.00 66.41 65.55 2wr4 h THR 127 Cb 0.64 1.57 0.00 0.00 -1.07 0.00 0.00 68.15 69.29 2wr4 h THR 127 CO 1.85 0.42 0.00 0.00 -0.01 0.00 0.00 175.52 177.78 2wr4 n GLN 128 N -4.07 2.22 -4.14 0.00 6.02 -1.26 -4.94 117.38 111.21 2wr4 n GLN 128 Ca -0.01 -1.54 -0.13 0.00 -0.01 0.00 0.00 57.00 55.31 2wr4 n GLN 128 Cb 0.44 -1.45 -0.11 0.00 1.02 0.00 0.00 30.24 30.14 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 -1.57 0.88 0.13 1.08 3.76 -1.08 -4.52 115.29 113.97 2wr4 s HIS 129 Ca 0.28 -0.70 -0.26 0.00 -0.15 0.00 0.00 55.06 54.23 2wr4 s HIS 129 Cb 0.16 -0.50 -0.07 0.00 1.11 0.00 0.00 32.58 33.28 2wr4 s HIS 129 CO 0.17 -0.08 0.81 0.99 -0.85 0.00 0.00 174.74 175.78 2wr4 s THR 130 N -2.55 4.47 -0.03 1.30 2.01 0.11 -4.90 115.64 116.06 2wr4 s THR 130 Ca 0.03 1.76 0.00 0.00 0.31 0.00 0.00 61.69 63.80 2wr4 s THR 130 Cb -0.02 -4.17 -0.00 0.00 0.01 0.00 0.00 72.50 68.31 2wr4 s THR 130 CO -0.02 0.44 0.10 1.07 -0.69 0.00 0.00 174.62 175.53 2wr4 n THR 131 N 2.12 0.00 0.01 -0.82 5.66 -1.26 -1.29 114.28 118.70 2wr4 n THR 131 Ca -0.03 -0.49 0.07 0.00 -3.05 0.00 0.00 64.05 60.54 2wr4 n THR 131 Cb 0.49 1.00 0.14 0.00 -1.55 0.00 0.00 70.33 70.42 2wr4 n THR 131 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2wr4 n THR 132 N -0.84 0.71 -1.66 1.09 -2.24 -1.26 -4.42 114.28 105.66 2wr4 n THR 132 Ca 0.00 -0.86 -0.46 0.00 -2.27 0.00 0.00 64.05 60.46 2wr4 n THR 132 Cb 0.01 0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 68.92 2wr4 n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr4 n GLY 133 N 0.70 0.92 0.00 3.38 0.00 -1.26 -4.97 105.19 103.95 2wr4 n GLY 133 Ca 0.12 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.74 2wr4 n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wr4 n GLY 134 N 2.85 6.25 3.25 -0.02 0.00 -1.26 -4.64 105.19 111.61 2wr4 n GLY 134 Ca 0.15 -1.70 -0.12 0.00 0.00 0.00 0.00 46.02 44.35 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 0.91 -0.15 0.53 1.61 0.15 0.18 -4.86 113.70 112.06 2wr4 s SER 135 Ca 0.00 -0.07 0.32 0.00 0.70 0.00 0.00 55.95 56.90 2wr4 s SER 135 Cb 0.00 0.34 1.35 0.00 -1.71 0.00 0.00 66.02 66.00 2wr4 s SER 135 CO 0.00 -0.54 1.98 -0.09 1.20 0.00 0.00 173.24 175.79 2wr4 h ARG 136 N 3.49 0.00 0.00 5.44 9.65 -1.93 -2.77 114.38 128.26 2wr4 h ARG 136 Ca -0.31 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.54 2wr4 h ARG 136 Cb 1.19 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.76 2wr4 h ARG 136 CO 0.43 0.06 -0.13 0.00 2.80 0.00 0.00 179.97 183.13 2wr4 h ALA 137 N 1.94 0.99 -1.01 2.80 0.00 -1.89 -3.19 119.26 118.90 2wr4 h ALA 137 Ca -0.00 -0.12 -0.57 0.00 0.00 0.00 0.00 54.91 54.21 2wr4 h ALA 137 Cb 0.51 -0.02 -0.42 0.00 0.00 0.00 0.00 17.79 17.87 2wr4 h ALA 137 CO 0.01 0.17 -0.67 0.00 0.00 0.00 0.00 179.25 178.76 2wr4 s ALA 139 N -3.60 3.41 -0.29 0.00 0.00 -1.21 -3.01 121.76 117.06 2wr4 s ALA 139 Ca 0.51 0.09 -0.02 0.00 0.00 0.00 0.00 51.96 52.54 2wr4 s ALA 139 Cb 0.41 -2.77 0.05 0.00 0.00 0.00 0.00 23.12 20.81 2wr4 s ALA 139 CO -0.05 0.35 -0.01 0.14 0.00 0.00 0.00 175.76 176.19 2wr4 s VAL 140 N -1.63 2.95 0.00 0.00 -7.23 -0.82 -4.90 120.40 108.77 2wr4 s VAL 140 Ca 0.45 -1.34 0.00 0.00 -1.81 0.00 0.00 61.98 59.28 2wr4 s VAL 140 Cb -0.15 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.12 2wr4 s VAL 140 CO 0.20 -0.06 0.00 -1.54 -0.31 0.00 0.00 175.10 173.39 2wr4 n SER 141 N 4.62 0.00 -2.61 4.85 3.41 -1.26 -1.49 113.62 121.14 2wr4 n SER 141 Ca -0.14 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.47 2wr4 n SER 141 Cb 0.44 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.46 2wr4 n SER 141 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wr4 n GLY 142 N 0.00 1.78 3.92 5.00 0.00 -1.26 -5.15 105.19 109.48 2wr4 n GLY 142 Ca 0.00 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 45.06 2wr4 n GLY 142 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wr4 s ASN 143 N -2.58 6.39 0.23 1.61 0.01 -0.55 -5.04 114.94 115.00 2wr4 s ASN 143 Ca 0.20 0.36 -0.31 0.00 -0.71 0.00 0.00 52.86 52.39 2wr4 s ASN 143 Cb 0.36 -1.99 -0.12 0.00 0.41 0.00 0.00 41.25 39.91 2wr4 s ASN 143 CO -0.08 0.03 1.67 -2.84 -1.51 0.00 0.00 177.10 174.38 2wr4 s PRO 144 N -3.06 4.13 0.00 -0.60 0.02 -1.26 -1.95 135.00 132.28 2wr4 s PRO 144 Ca 0.37 2.59 0.00 0.00 0.02 0.00 0.00 61.00 63.98 2wr4 s PRO 144 Cb -0.12 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.34 2wr4 s PRO 144 CO 0.28 -0.71 0.00 0.45 -0.33 0.00 0.00 177.00 176.69 2wr4 n SER 145 N 3.41 0.52 -3.56 2.53 2.88 -1.07 -4.60 113.62 113.73 2wr4 n SER 145 Ca 0.13 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.61 2wr4 n SER 145 Cb 0.36 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.80 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 0.33 -0.22 -0.50 0.66 5.36 -1.23 -0.65 117.98 121.74 2wr4 s PHE 146 Ca 0.00 0.14 -0.45 0.00 -0.96 0.00 0.00 56.93 55.67 2wr4 s PHE 146 Cb 0.00 0.52 -0.19 0.00 -0.34 0.00 0.00 43.02 43.01 2wr4 s PHE 146 CO 0.00 -0.35 1.91 1.19 -1.46 0.00 0.00 175.22 176.52 2wr4 n PHE 147 N -0.13 1.38 0.29 10.12 3.01 -1.26 -4.69 117.46 126.17 2wr4 n PHE 147 Ca -0.04 0.91 0.14 0.00 1.01 0.00 0.00 57.45 59.48 2wr4 n PHE 147 Cb 0.60 -2.25 0.86 0.00 -0.01 0.00 0.00 39.48 38.68 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 7.40 0.00 -0.01 -1.08 3.08 0.19 -1.79 114.38 122.17 2wr4 h ARG 148 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.82 2wr4 h ARG 148 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.44 2wr4 h ARG 148 CO 1.04 0.05 -0.27 0.09 -1.07 0.00 0.00 179.97 179.80 2wr4 n ASN 149 N -3.74 1.09 -4.57 7.04 3.02 -0.64 -4.94 115.26 112.51 2wr4 n ASN 149 Ca -0.03 -0.93 -0.25 0.00 -0.03 0.00 0.00 54.58 53.34 2wr4 n ASN 149 Cb 0.14 0.16 -0.09 0.00 -0.61 0.00 0.00 39.78 39.38 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 -2.50 1.93 -0.10 3.52 -1.94 -0.67 -0.84 119.30 118.70 2wr4 s MET 150 Ca 0.24 -1.80 0.00 0.00 -1.71 0.00 0.00 55.69 52.42 2wr4 s MET 150 Cb 0.19 -1.84 0.02 0.00 2.01 0.00 0.00 34.83 35.22 2wr4 s MET 150 CO 0.52 0.18 -0.08 0.08 -0.01 0.00 0.00 175.02 175.72 2wr4 s VAL 151 N -2.54 1.03 -0.86 -6.03 1.01 0.21 -4.80 120.40 108.43 2wr4 s VAL 151 Ca 0.33 -0.31 -0.20 0.00 0.00 0.00 0.00 61.98 61.80 2wr4 s VAL 151 Cb -0.00 -1.03 0.11 0.00 0.00 0.00 0.00 36.38 35.45 2wr4 s VAL 151 CO 0.18 0.36 1.10 0.86 0.00 0.00 0.00 175.10 177.60 2wr4 s TRP 152 N 1.52 2.96 -0.05 5.22 -0.11 -1.26 -0.56 118.94 126.66 2wr4 s TRP 152 Ca 0.01 -1.12 -0.30 0.00 1.22 0.00 0.00 56.10 55.91 2wr4 s TRP 152 Cb -0.13 -4.31 -0.05 0.00 -1.50 0.00 0.00 33.47 27.48 2wr4 s TRP 152 CO -0.06 -1.56 1.48 -0.51 -4.62 0.00 0.00 176.95 171.68 2wr4 s LEU 153 N 3.21 4.29 0.38 5.86 1.43 -1.22 -4.31 118.68 128.33 2wr4 s LEU 153 Ca 0.30 2.09 0.04 0.00 -1.03 0.00 0.00 54.13 55.53 2wr4 s LEU 153 Cb -0.08 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.56 2wr4 s LEU 153 CO -0.04 -0.82 0.12 0.42 0.23 0.00 0.00 176.35 176.26 2wr4 s THR 154 N 3.26 0.69 0.67 5.49 -4.23 -0.41 -4.63 115.64 116.47 2wr4 s THR 154 Ca 0.66 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 59.04 2wr4 s THR 154 Cb -0.31 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.08 2wr4 s THR 154 CO 0.25 0.00 1.07 -1.59 -0.54 0.00 0.00 174.62 173.82 2wr4 s LYS 155 N -3.77 2.91 -0.23 3.99 -2.85 -0.53 -0.71 119.74 118.55 2wr4 s LYS 155 Ca 0.28 1.17 -0.03 0.00 -1.00 0.00 0.00 55.97 56.39 2wr4 s LYS 155 Cb 0.04 -1.98 0.01 0.00 -2.06 0.00 0.00 37.83 33.84 2wr4 s LYS 155 CO 0.15 -1.13 -0.06 0.21 0.10 0.00 0.00 175.35 174.62 2wr4 s LYS 156 N -4.50 3.11 7.89 1.78 2.20 -0.22 -4.06 119.74 125.94 2wr4 s LYS 156 Ca 0.62 -0.80 0.00 0.00 -0.36 0.00 0.00 55.97 55.43 2wr4 s LYS 156 Cb -0.17 -2.98 0.00 0.00 -1.51 0.00 0.00 37.83 33.17 2wr4 s LYS 156 CO 0.46 -0.30 0.00 0.41 -0.36 0.00 0.00 175.35 175.57 2wr4 n GLY 157 N 4.74 3.75 1.41 5.54 0.00 -1.26 -1.76 105.19 117.61 2wr4 n GLY 157 Ca -0.18 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.75 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 7.56 3.08 -4.06 1.61 3.41 -1.26 -5.00 113.62 118.95 2wr4 n SER 158 Ca 0.00 -3.61 -0.20 0.00 -0.26 0.00 0.00 58.87 54.80 2wr4 n SER 158 Cb 0.00 -0.68 -0.15 0.00 -0.26 0.00 0.00 64.21 63.13 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 -2.10 1.29 -0.45 4.04 -0.87 -0.72 -4.95 114.94 111.17 2wr4 s ASN 159 Ca 0.48 -0.23 0.02 0.00 -1.57 0.00 0.00 52.86 51.57 2wr4 s ASN 159 Cb 0.42 -0.13 0.15 0.00 -0.02 0.00 0.00 41.25 41.66 2wr4 s ASN 159 CO 0.04 0.12 0.29 -0.47 -2.57 0.00 0.00 177.10 174.50 2wr4 s TYR 160 N -0.33 1.77 0.98 2.20 5.04 -1.26 -1.06 117.35 124.69 2wr4 s TYR 160 Ca 0.04 -2.38 -0.11 0.00 -2.44 0.00 0.00 57.07 52.18 2wr4 s TYR 160 Cb -0.05 -1.62 0.18 0.00 0.35 0.00 0.00 41.96 40.82 2wr4 s TYR 160 CO -0.00 -0.77 1.09 -2.14 -1.34 0.00 0.00 175.55 172.39 2wr4 s PRO 161 N 0.20 0.57 0.13 4.97 0.02 -1.26 -4.86 135.00 134.76 2wr4 s PRO 161 Ca 0.22 1.14 -0.35 0.00 0.02 0.00 0.00 61.00 62.03 2wr4 s PRO 161 Cb -0.16 -1.70 -0.15 0.00 0.02 0.00 0.00 34.50 32.51 2wr4 s PRO 161 CO -0.06 -2.81 1.50 0.28 -0.33 0.00 0.00 177.00 175.58 2wr4 n VAL 162 N -4.31 0.00 -3.36 3.83 0.31 -1.26 -4.87 118.33 108.67 2wr4 n VAL 162 Ca 0.08 -0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 64.02 2wr4 n VAL 162 Cb 0.53 -1.29 -0.08 0.00 -0.91 0.00 0.00 33.84 32.09 2wr4 n VAL 162 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wr4 s ALA 163 N 0.77 3.57 -0.25 3.52 0.00 0.13 -4.95 121.76 124.55 2wr4 s ALA 163 Ca 0.81 -0.71 -0.02 0.00 0.00 0.00 0.00 51.96 52.04 2wr4 s ALA 163 Cb -0.77 -2.73 0.13 0.00 0.00 0.00 0.00 23.12 19.75 2wr4 s ALA 163 CO 0.41 -0.60 0.37 0.21 0.00 0.00 0.00 175.76 176.15 2wr4 s LYS 164 N 1.96 0.34 0.05 0.00 2.20 -1.26 -0.57 119.74 122.46 2wr4 s LYS 164 Ca 0.17 0.42 -0.01 0.00 -0.36 0.00 0.00 55.97 56.19 2wr4 s LYS 164 Cb -0.15 -0.52 -0.04 0.00 -1.51 0.00 0.00 37.83 35.61 2wr4 s LYS 164 CO 0.09 -0.71 -0.02 1.03 -0.36 0.00 0.00 175.35 175.37 2wr4 s ARG 165 N 2.52 0.58 0.19 4.03 0.52 -1.01 -5.02 118.95 120.77 2wr4 s ARG 165 Ca 0.12 -1.14 0.01 0.00 -0.52 0.00 0.00 55.73 54.19 2wr4 s ARG 165 Cb -0.15 0.20 -0.05 0.00 0.52 0.00 0.00 34.95 35.48 2wr4 s ARG 165 CO -0.18 -0.11 0.06 -1.54 0.02 0.00 0.00 175.30 173.55 2wr4 s SER 166 N -2.75 0.82 -0.12 0.23 1.04 -1.26 -0.72 113.70 110.95 2wr4 s SER 166 Ca 0.04 -1.28 -0.05 0.00 0.48 0.00 0.00 55.95 55.14 2wr4 s SER 166 Cb 0.06 0.22 0.05 0.00 0.10 0.00 0.00 66.02 66.45 2wr4 s SER 166 CO -0.09 -0.70 0.27 -0.47 0.98 0.00 0.00 173.24 173.23 2wr4 s TYR 167 N -3.86 -0.39 -0.22 5.02 5.04 -0.97 -4.98 117.35 116.99 2wr4 s TYR 167 Ca 0.31 0.90 -0.16 0.00 -2.44 0.00 0.00 57.07 55.68 2wr4 s TYR 167 Cb 0.07 0.04 -0.04 0.00 0.35 0.00 0.00 41.96 42.39 2wr4 s TYR 167 CO 0.08 -0.29 0.42 1.21 -1.34 0.00 0.00 175.55 175.63 2wr4 s ASN 168 N 1.68 6.41 -1.02 4.32 3.84 -1.26 -1.65 114.94 127.25 2wr4 s ASN 168 Ca -0.06 0.48 -0.23 0.00 0.21 0.00 0.00 52.86 53.26 2wr4 s ASN 168 Cb -0.11 -2.24 -0.00 0.00 -0.55 0.00 0.00 41.25 38.35 2wr4 s ASN 168 CO -0.09 -0.13 1.72 0.21 -2.79 0.00 0.00 177.10 176.02 2wr4 s ASN 169 N 1.24 5.85 -0.03 -4.21 2.47 -0.26 -4.70 114.94 115.30 2wr4 s ASN 169 Ca 0.19 -1.28 0.19 0.00 0.42 0.00 0.00 52.86 52.38 2wr4 s ASN 169 Cb -0.15 -2.57 0.61 0.00 -1.45 0.00 0.00 41.25 37.69 2wr4 s ASN 169 CO 0.09 -2.12 1.50 0.35 -3.72 0.00 0.00 177.10 173.20 2wr4 n THR 170 N 7.32 1.11 0.51 -5.21 -2.24 -1.26 0.09 114.28 114.60 2wr4 n THR 170 Ca 0.39 -0.94 0.13 0.00 -2.27 0.00 0.00 64.05 61.36 2wr4 n THR 170 Cb 0.48 0.34 0.44 0.00 -2.10 0.00 0.00 70.33 69.49 2wr4 n THR 170 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2wr4 h SER 171 N 3.82 0.00 0.00 3.42 4.64 -1.99 -3.47 113.55 119.98 2wr4 h SER 171 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wr4 h SER 171 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2wr4 h SER 171 CO 0.06 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.63 2wr4 n GLY 172 N 0.73 1.57 3.33 -0.77 0.00 -1.26 -5.03 105.19 103.76 2wr4 n GLY 172 Ca 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.47 1.28 0.28 1.61 2.02 -1.26 -4.97 118.70 117.18 2wr4 s GLU 173 Ca 0.00 -1.58 -0.30 0.00 0.02 0.00 0.00 54.97 53.11 2wr4 s GLU 173 Cb 0.00 -0.95 -0.12 0.00 0.10 0.00 0.00 34.13 33.16 2wr4 s GLU 173 CO 0.00 0.12 1.49 0.94 0.02 0.00 0.00 175.26 177.82 2wr4 n GLN 174 N -0.35 2.37 -5.12 1.61 7.27 -1.25 -4.39 117.38 117.52 2wr4 n GLN 174 Ca -0.08 0.84 -0.32 0.00 0.07 0.00 0.00 57.00 57.51 2wr4 n GLN 174 Cb 0.61 -2.55 -0.16 0.00 2.41 0.00 0.00 30.24 30.55 2wr4 n GLN 174 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 2wr4 s MET 175 N -0.64 3.12 -0.04 3.69 -2.45 -0.60 -1.47 119.30 120.91 2wr4 s MET 175 Ca 0.65 -0.84 -0.25 0.00 -1.25 0.00 0.00 55.69 54.00 2wr4 s MET 175 Cb -0.57 -2.37 -0.04 0.00 1.25 0.00 0.00 34.83 33.10 2wr4 s MET 175 CO 0.51 0.19 0.75 -1.17 1.05 0.00 0.00 175.02 176.35 2wr4 s LEU 176 N 0.33 4.34 -0.03 4.11 2.96 0.30 0.48 118.68 131.17 2wr4 s LEU 176 Ca -0.17 1.29 0.01 0.00 -0.22 0.00 0.00 54.13 55.04 2wr4 s LEU 176 Cb -0.17 -3.18 0.02 0.00 0.50 0.00 0.00 46.19 43.36 2wr4 s LEU 176 CO 0.08 -0.13 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.31 2wr4 s ILE 177 N 0.75 0.46 -0.03 6.68 1.01 -0.50 -0.43 121.20 129.14 2wr4 s ILE 177 Ca 0.40 -0.11 0.07 0.00 0.00 0.00 0.00 60.65 61.00 2wr4 s ILE 177 Cb -0.19 -0.48 -0.02 0.00 0.01 0.00 0.00 42.46 41.79 2wr4 s ILE 177 CO 0.20 0.19 -0.23 -0.63 0.00 0.00 0.00 174.94 174.47 2wr4 s ILE 178 N 0.70 2.28 0.18 2.92 1.01 -1.26 -1.84 121.20 125.20 2wr4 s ILE 178 Ca -0.09 -1.01 -0.00 0.00 0.00 0.00 0.00 60.65 59.54 2wr4 s ILE 178 Cb -0.12 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 2wr4 s ILE 178 CO -0.00 0.58 0.09 -1.66 0.00 0.00 0.00 174.94 173.94 2wr4 s TRP 179 N -0.54 1.09 0.17 3.97 -2.14 -0.76 -3.87 118.94 116.86 2wr4 s TRP 179 Ca 0.08 -1.27 -0.05 0.00 2.66 0.00 0.00 56.10 57.52 2wr4 s TRP 179 Cb -0.11 -0.58 -0.03 0.00 -3.10 0.00 0.00 33.47 29.65 2wr4 s TRP 179 CO 0.00 -0.52 0.18 0.20 -2.66 0.00 0.00 176.95 174.16 2wr4 s GLY 180 N -3.13 0.91 -0.03 3.67 0.00 -0.24 -0.54 107.32 107.94 2wr4 s GLY 180 Ca 0.32 -1.30 0.05 0.00 0.00 0.00 0.00 44.72 43.79 2wr4 s GLY 180 CO 0.07 -1.14 -0.20 -1.50 0.00 0.00 0.00 173.10 170.33 2wr4 s ILE 181 N -4.05 1.59 -0.16 0.90 2.07 -0.50 0.51 121.20 121.57 2wr4 s ILE 181 Ca 0.26 -0.83 -0.17 0.00 -1.41 0.00 0.00 60.65 58.50 2wr4 s ILE 181 Cb 0.05 -1.35 -0.04 0.00 0.13 0.00 0.00 42.46 41.25 2wr4 s ILE 181 CO 0.05 0.45 0.42 -2.28 -1.91 0.00 0.00 174.94 171.67 2wr4 s HIS 182 N -0.20 3.45 -0.46 3.50 5.65 0.29 -1.81 115.29 125.72 2wr4 s HIS 182 Ca 0.01 0.74 -0.11 0.00 0.25 0.00 0.00 55.06 55.95 2wr4 s HIS 182 Cb -0.10 -2.51 0.10 0.00 -1.18 0.00 0.00 32.58 28.89 2wr4 s HIS 182 CO 0.01 0.11 0.34 0.71 -0.65 0.00 0.00 174.74 175.26 2wr4 s TYR 183 N 0.86 3.35 0.98 3.88 2.02 0.47 -4.79 117.35 124.11 2wr4 s TYR 183 Ca 0.22 -1.55 -0.12 0.00 -0.37 0.00 0.00 57.07 55.25 2wr4 s TYR 183 Cb -0.15 -3.29 0.18 0.00 -0.40 0.00 0.00 41.96 38.31 2wr4 s TYR 183 CO 0.08 -0.92 1.10 -2.14 -1.57 0.00 0.00 175.55 172.10 2wr4 s PRO 184 N 1.45 0.60 0.19 -1.71 0.02 -1.26 -1.44 135.00 132.86 2wr4 s PRO 184 Ca 0.04 0.51 0.13 0.00 0.02 0.00 0.00 61.00 61.70 2wr4 s PRO 184 Cb -0.25 -1.76 -0.04 0.00 0.02 0.00 0.00 34.50 32.47 2wr4 s PRO 184 CO 0.02 -2.61 1.27 -0.97 -0.33 0.00 0.00 177.00 174.38 2wr4 h ASN 185 N -1.81 0.00 -5.14 2.53 -1.24 -1.84 -3.13 115.58 104.95 2wr4 h ASN 185 Ca -0.54 0.00 0.17 0.00 0.71 0.00 0.00 56.30 56.64 2wr4 h ASN 185 Cb 1.33 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 40.27 2wr4 h ASN 185 CO 0.58 0.65 0.51 1.51 -1.29 0.00 0.00 177.43 179.38 2wr4 s ASP 186 N -6.39 -0.22 0.43 1.15 -4.77 -1.26 -3.49 116.67 102.12 2wr4 s ASP 186 Ca 0.02 -0.27 0.17 0.00 -3.30 0.00 0.00 52.55 49.17 2wr4 s ASP 186 Cb 0.08 0.44 1.09 0.00 -1.09 0.00 0.00 42.92 43.44 2wr4 s ASP 186 CO 0.78 -0.79 1.90 0.44 0.70 0.00 0.00 175.17 178.21 2wr4 h ASP 187 N 2.00 0.36 0.21 2.11 3.32 -1.94 -1.65 116.42 120.84 2wr4 h ASP 187 Ca -0.24 0.03 -0.23 0.00 0.02 0.00 0.00 57.03 56.60 2wr4 h ASP 187 Cb 1.23 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 40.74 2wr4 h ASP 187 CO 0.27 0.18 -0.95 0.71 -1.72 0.00 0.00 179.24 177.73 2wr4 h THR 188 N 0.38 1.36 -0.16 0.35 1.35 -1.99 -2.00 112.91 112.20 2wr4 h THR 188 Ca 0.39 -2.35 -0.10 0.00 -0.55 0.00 0.00 66.41 63.81 2wr4 h THR 188 Cb 0.98 2.36 -0.01 0.00 -1.73 0.00 0.00 68.15 69.75 2wr4 h THR 188 CO -0.12 0.71 -0.32 -0.08 -0.25 0.00 0.00 175.52 175.45 2wr4 h GLU 189 N 0.30 0.32 -0.75 4.72 4.81 -1.81 -1.54 114.58 120.62 2wr4 h GLU 189 Ca -0.09 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 58.99 2wr4 h GLU 189 Cb 1.59 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.92 2wr4 h GLU 189 CO 0.17 0.61 0.38 0.37 -0.73 0.00 0.00 179.01 179.81 2wr4 h GLN 190 N 0.27 1.06 -0.00 1.92 5.75 -1.17 -2.96 115.11 119.98 2wr4 h GLN 190 Ca 0.04 -0.14 -0.26 0.00 -0.15 0.00 0.00 58.65 58.13 2wr4 h GLN 190 Cb 0.71 -0.20 0.02 0.00 1.07 0.00 0.00 27.48 29.08 2wr4 h GLN 190 CO 0.05 0.81 -1.02 0.00 -2.65 0.00 0.00 178.83 176.02 2wr4 h ARG 191 N 1.04 0.64 0.00 1.69 3.08 -0.86 -0.07 114.38 119.90 2wr4 h ARG 191 Ca 0.26 -0.69 0.00 0.00 0.07 0.00 0.00 59.98 59.62 2wr4 h ARG 191 Cb 0.08 0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2wr4 h ARG 191 CO -0.04 1.28 0.00 1.79 -1.07 0.00 0.00 179.97 181.93 2wr4 h THR 192 N 0.36 0.00 0.03 2.04 1.35 -1.32 -0.96 112.91 114.41 2wr4 h THR 192 Ca -0.12 -0.36 -0.39 0.00 -0.55 0.00 0.00 66.41 65.00 2wr4 h THR 192 Cb 1.67 1.21 -0.06 0.00 -1.73 0.00 0.00 68.15 69.24 2wr4 h THR 192 CO 0.20 0.00 -2.30 0.18 -0.25 0.00 0.00 175.52 173.35 2wr4 n LEU 193 N -2.62 2.67 0.00 3.87 4.32 -1.12 -4.79 117.00 119.33 2wr4 n LEU 193 Ca 0.01 0.05 0.00 0.00 -0.02 0.00 0.00 56.01 56.06 2wr4 n LEU 193 Cb 0.26 -0.95 0.00 0.00 -1.62 0.00 0.00 43.42 41.11 2wr4 n LEU 193 CO 0.23 0.82 0.09 -1.22 -1.22 0.00 0.00 177.39 176.09 2wr4 n TYR 194 N -3.54 0.00 0.00 -1.77 4.02 -0.05 -1.45 117.16 114.37 2wr4 n TYR 194 Ca -0.43 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.46 2wr4 n TYR 194 Cb 0.97 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.29 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 -0.44 0.00 -2.50 -0.72 1.13 -0.37 -4.54 117.38 109.94 2wr4 n GLN 195 Ca 0.00 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 54.75 2wr4 n GLN 195 Cb 0.02 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.35 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 6.53 -0.17 1.08 0.02 -1.26 -4.73 114.94 116.41 2wr4 s ASN 196 Ca 0.00 1.37 0.03 0.00 -1.02 0.00 0.00 52.86 53.25 2wr4 s ASN 196 Cb 0.00 -2.43 -0.12 0.00 0.02 0.00 0.00 41.25 38.72 2wr4 s ASN 196 CO 0.00 -0.56 -0.12 0.52 0.02 0.00 0.00 177.10 176.97 2wr4 n VAL 197 N -1.65 0.98 -1.83 1.60 0.31 -1.26 -4.69 118.33 111.79 2wr4 n VAL 197 Ca 0.05 -0.41 -0.35 0.00 -0.01 0.00 0.00 64.34 63.62 2wr4 n VAL 197 Cb 0.54 -1.02 -0.02 0.00 -0.91 0.00 0.00 33.84 32.43 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 2.58 4.94 3.91 2.92 0.00 -1.26 -4.99 105.19 113.29 2wr4 n GLY 198 Ca -0.29 -2.04 -0.28 0.00 0.00 0.00 0.00 46.02 43.42 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 -1.97 2.62 0.06 2.61 -4.23 -1.26 -5.05 115.64 108.42 2wr4 s THR 199 Ca 0.55 0.01 -0.17 0.00 -1.18 0.00 0.00 61.69 60.90 2wr4 s THR 199 Cb 0.28 -3.16 0.03 0.00 1.34 0.00 0.00 72.50 70.99 2wr4 s THR 199 CO -0.16 -0.19 0.39 -0.72 -0.54 0.00 0.00 174.62 173.40 2wr4 s TYR 200 N -3.34 -0.23 -0.08 3.99 -0.85 -1.26 -4.31 117.35 111.27 2wr4 s TYR 200 Ca 0.59 0.12 0.05 0.00 -0.52 0.00 0.00 57.07 57.31 2wr4 s TYR 200 Cb -0.11 0.21 -0.00 0.00 0.38 0.00 0.00 41.96 42.44 2wr4 s TYR 200 CO 0.48 -0.59 -0.24 0.08 -1.52 0.00 0.00 175.55 173.76 2wr4 s VAL 201 N -2.76 2.03 -0.10 -3.49 1.01 0.43 -2.26 120.40 115.26 2wr4 s VAL 201 Ca -0.03 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 60.93 2wr4 s VAL 201 Cb -0.00 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.66 2wr4 s VAL 201 CO -0.04 0.56 -0.09 -0.55 0.00 0.00 0.00 175.10 174.97 2wr4 s SER 202 N 0.18 2.03 -0.05 3.32 0.15 0.86 -0.19 113.70 120.00 2wr4 s SER 202 Ca -0.14 -0.30 0.02 0.00 0.70 0.00 0.00 55.95 56.23 2wr4 s SER 202 Cb -0.16 -0.83 0.02 0.00 -1.71 0.00 0.00 66.02 63.33 2wr4 s SER 202 CO 0.07 -0.07 -0.08 -0.69 1.20 0.00 0.00 173.24 173.67 2wr4 s VAL 203 N 1.39 0.77 -0.06 4.45 1.01 -0.37 -0.98 120.40 126.62 2wr4 s VAL 203 Ca -0.01 -0.27 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 2wr4 s VAL 203 Cb -0.14 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.52 2wr4 s VAL 203 CO -0.05 0.27 0.16 -0.83 0.00 0.00 0.00 175.10 174.66 2wr4 s GLY 204 N 0.76 -0.12 0.00 4.51 0.00 -0.87 -0.71 107.32 110.90 2wr4 s GLY 204 Ca -0.13 0.47 0.00 0.00 0.00 0.00 0.00 44.72 45.06 2wr4 s GLY 204 CO 0.02 0.42 0.00 -1.30 0.00 0.00 0.00 173.10 172.24 2wr4 n THR 205 N 3.06 0.00 -0.14 0.90 -2.24 0.20 -0.30 114.28 115.76 2wr4 n THR 205 Ca -0.13 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.61 2wr4 n THR 205 Cb 0.59 0.00 0.18 0.00 -2.10 0.00 0.00 70.33 68.99 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 0.79 0.00 3.42 0.02 -1.99 -3.34 113.55 112.45 2wr4 h SER 206 Ca 0.00 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 2wr4 h SER 206 Cb 0.00 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.33 2wr4 h SER 206 CO 0.00 0.79 -1.16 0.35 -1.14 0.00 0.00 176.83 175.67 2wr4 n THR 207 N -4.26 0.05 -3.38 -2.27 -2.24 -1.26 -4.99 114.28 95.93 2wr4 n THR 207 Ca 0.04 -0.09 -0.38 0.00 -2.27 0.00 0.00 64.05 61.35 2wr4 n THR 207 Cb 0.24 0.12 -0.06 0.00 -2.10 0.00 0.00 70.33 68.53 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 -3.45 4.37 -0.24 3.22 2.96 -1.25 -5.06 118.68 119.22 2wr4 s LEU 208 Ca -0.01 0.90 -0.03 0.00 -0.22 0.00 0.00 54.13 54.77 2wr4 s LEU 208 Cb 0.02 -2.67 0.12 0.00 0.50 0.00 0.00 46.19 44.16 2wr4 s LEU 208 CO 0.13 0.14 0.31 0.54 -1.32 0.00 0.00 176.35 176.15 2wr4 s ASN 209 N -0.11 0.87 -0.04 3.68 2.20 -1.26 -0.63 114.94 119.66 2wr4 s ASN 209 Ca 0.25 -0.11 0.04 0.00 -0.94 0.00 0.00 52.86 52.10 2wr4 s ASN 209 Cb -0.16 0.76 -0.00 0.00 -2.00 0.00 0.00 41.25 39.85 2wr4 s ASN 209 CO 0.12 -0.33 -0.15 -0.75 -2.94 0.00 0.00 177.10 173.06 2wr4 s LYS 210 N 2.44 1.51 -0.13 3.55 2.20 0.11 -5.02 119.74 124.40 2wr4 s LYS 210 Ca 0.10 -0.52 0.00 0.00 -0.36 0.00 0.00 55.97 55.20 2wr4 s LYS 210 Cb -0.15 -1.34 0.02 0.00 -1.51 0.00 0.00 37.83 34.85 2wr4 s LYS 210 CO -0.18 0.21 -0.12 0.50 -0.36 0.00 0.00 175.35 175.40 2wr4 s ARG 211 N 0.06 2.05 0.05 4.03 3.52 -1.26 -1.23 118.95 126.17 2wr4 s ARG 211 Ca -0.03 -0.47 0.06 0.00 -0.13 0.00 0.00 55.73 55.17 2wr4 s ARG 211 Cb -0.10 -1.91 -0.03 0.00 -1.56 0.00 0.00 34.95 31.34 2wr4 s ARG 211 CO 0.01 -0.22 -0.14 -1.12 -0.81 0.00 0.00 175.30 173.03 2wr4 s SER 212 N 1.47 4.12 0.01 -2.12 0.01 0.73 -4.96 113.70 112.95 2wr4 s SER 212 Ca 0.03 -0.36 0.05 0.00 1.31 0.00 0.00 55.95 56.98 2wr4 s SER 212 Cb -0.13 -0.76 -0.02 0.00 0.21 0.00 0.00 66.02 65.32 2wr4 s SER 212 CO -0.08 0.24 -0.16 0.27 0.41 0.00 0.00 173.24 173.91 2wr4 s ILE 213 N -1.02 1.28 0.33 1.44 -0.00 -1.26 -0.43 121.20 121.54 2wr4 s ILE 213 Ca 0.17 -0.81 -0.29 0.00 -0.00 0.00 0.00 60.65 59.72 2wr4 s ILE 213 Cb -0.11 -1.09 -0.11 0.00 -0.00 0.00 0.00 42.46 41.16 2wr4 s ILE 213 CO 0.08 0.26 1.40 -2.84 -0.00 0.00 0.00 174.94 173.84 2wr4 s PRO 214 N -0.64 4.25 -0.92 0.37 0.02 -1.26 -4.98 135.00 131.84 2wr4 s PRO 214 Ca 0.05 2.37 -0.04 0.00 0.02 0.00 0.00 61.00 63.40 2wr4 s PRO 214 Cb -0.07 -3.04 0.23 0.00 0.02 0.00 0.00 34.50 31.64 2wr4 s PRO 214 CO 0.00 -0.36 0.83 -1.21 -0.33 0.00 0.00 177.00 175.93 2wr4 s GLU 215 N -1.60 3.44 0.03 5.54 2.02 -1.26 -5.06 118.70 121.82 2wr4 s GLU 215 Ca 0.53 -3.16 -0.30 0.00 0.02 0.00 0.00 54.97 52.05 2wr4 s GLU 215 Cb -0.43 -4.10 -0.05 0.00 0.10 0.00 0.00 34.13 29.65 2wr4 s GLU 215 CO 0.55 -1.25 1.25 0.96 0.02 0.00 0.00 175.26 176.78 2wr4 s ILE 216 N -1.14 3.96 -0.27 -1.63 -4.36 -1.26 -4.67 121.20 111.83 2wr4 s ILE 216 Ca 0.27 1.38 -0.28 0.00 -0.26 0.00 0.00 60.65 61.76 2wr4 s ILE 216 Cb -0.09 -3.88 0.17 0.00 1.25 0.00 0.00 42.46 39.91 2wr4 s ILE 216 CO -0.10 0.07 1.29 0.00 0.24 0.00 0.00 174.94 176.43 2wr4 s ALA 217 N 1.50 -2.10 0.03 2.27 0.00 -1.18 -4.91 121.76 117.38 2wr4 s ALA 217 Ca 0.59 1.78 -0.30 0.00 0.00 0.00 0.00 51.96 54.03 2wr4 s ALA 217 Cb -0.29 -1.44 -0.06 0.00 0.00 0.00 0.00 23.12 21.33 2wr4 s ALA 217 CO 0.27 -0.22 1.35 0.99 0.00 0.00 0.00 175.76 178.16 2wr4 s THR 218 N -0.67 3.69 0.08 0.00 2.01 -1.23 -4.55 115.64 114.96 2wr4 s THR 218 Ca 0.06 1.14 0.02 0.00 0.31 0.00 0.00 61.69 63.23 2wr4 s THR 218 Cb -0.02 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 2wr4 s THR 218 CO -0.08 0.03 -0.08 -0.13 -0.69 0.00 0.00 174.62 173.67 2wr4 s ARG 219 N 1.85 0.72 0.86 4.92 0.52 -1.26 -5.14 118.95 121.43 2wr4 s ARG 219 Ca 0.63 -1.06 -0.12 0.00 -0.52 0.00 0.00 55.73 54.65 2wr4 s ARG 219 Cb -0.32 -0.33 0.10 0.00 0.52 0.00 0.00 34.95 34.92 2wr4 s ARG 219 CO 0.28 0.04 1.07 -2.30 0.02 0.00 0.00 175.30 174.40 2wr4 n PRO 220 N 0.71 -0.12 -2.92 3.54 -0.02 -1.26 -4.75 135.00 130.18 2wr4 n PRO 220 Ca -0.17 0.04 -0.41 0.00 -2.02 0.00 0.00 63.50 60.94 2wr4 n PRO 220 Cb 0.58 -2.33 -0.04 0.00 -0.02 0.00 0.00 33.50 31.69 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 -4.21 4.47 -0.20 -0.52 1.02 -1.26 -4.59 119.74 114.45 2wr4 s LYS 221 Ca 0.69 1.08 0.01 0.00 0.02 0.00 0.00 55.97 57.77 2wr4 s LYS 221 Cb -0.26 -3.46 0.03 0.00 -0.52 0.00 0.00 37.83 33.62 2wr4 s LYS 221 CO 0.56 0.00 -0.17 0.08 -0.92 0.00 0.00 175.35 174.90 2wr4 s VAL 222 N 0.95 2.20 -1.54 3.17 1.01 -0.72 -4.57 120.40 120.90 2wr4 s VAL 222 Ca 0.43 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 2wr4 s VAL 222 Cb -0.19 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.20 2wr4 s VAL 222 CO 0.21 0.42 0.52 0.59 0.00 0.00 0.00 175.10 176.84 2wr4 n ASN 223 N 4.60 -5.98 -0.01 3.32 3.02 -1.26 -2.12 115.26 116.83 2wr4 n ASN 223 Ca -0.19 -0.25 -0.00 0.00 -0.03 0.00 0.00 54.58 54.11 2wr4 n ASN 223 Cb 0.49 -4.82 -0.00 0.00 -0.61 0.00 0.00 39.78 34.84 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 -1.45 0.31 3.25 7.41 0.00 -1.26 -4.52 105.19 108.94 2wr4 n GLY 224 Ca -0.13 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 2wr4 n GLY 224 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wr4 s GLN 225 N -0.86 3.10 0.28 1.61 -1.52 -0.90 -5.00 119.66 116.37 2wr4 s GLN 225 Ca 0.00 -0.84 0.21 0.00 -1.95 0.00 0.00 55.36 52.77 2wr4 s GLN 225 Cb 0.00 -2.36 0.11 0.00 -0.22 0.00 0.00 33.01 30.54 2wr4 s GLN 225 CO 0.00 0.19 1.27 0.78 -0.25 0.00 0.00 175.29 177.28 2wr4 h GLY 226 N 6.68 0.00 -1.04 3.09 0.00 -1.85 -1.91 103.07 108.04 2wr4 h GLY 226 Ca -0.21 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.63 2wr4 h GLY 226 CO 0.49 0.00 0.39 -0.32 0.00 0.00 0.00 176.54 177.10 2wr4 s GLY 227 N -4.39 1.63 0.16 4.60 0.00 -1.26 -4.47 107.32 103.59 2wr4 s GLY 227 Ca 0.02 -0.29 0.05 0.00 0.00 0.00 0.00 44.72 44.50 2wr4 s GLY 227 CO 0.75 0.09 -0.12 0.50 0.00 0.00 0.00 173.10 174.32 2wr4 s ARG 228 N -5.29 1.11 -0.10 2.90 1.81 -0.52 -4.56 118.95 114.31 2wr4 s ARG 228 Ca 0.59 -1.45 0.02 0.00 -1.72 0.00 0.00 55.73 53.17 2wr4 s ARG 228 Cb -0.12 -0.77 0.01 0.00 -0.45 0.00 0.00 34.95 33.62 2wr4 s ARG 228 CO 0.53 0.11 -0.15 -1.64 -0.68 0.00 0.00 175.30 173.47 2wr4 s MET 229 N -3.57 2.16 -0.24 3.54 -1.94 0.40 -0.40 119.30 119.27 2wr4 s MET 229 Ca 0.17 -0.55 -0.07 0.00 -1.71 0.00 0.00 55.69 53.53 2wr4 s MET 229 Cb 0.01 -1.81 -0.03 0.00 2.01 0.00 0.00 34.83 35.01 2wr4 s MET 229 CO 0.02 -0.03 0.05 -2.00 -0.01 0.00 0.00 175.02 173.06 2wr4 s GLU 230 N 0.87 3.64 -0.02 2.03 2.12 -0.75 -2.06 118.70 124.54 2wr4 s GLU 230 Ca -0.09 -0.49 -0.01 0.00 0.36 0.00 0.00 54.97 54.74 2wr4 s GLU 230 Cb -0.15 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 2wr4 s GLU 230 CO 0.00 -0.15 0.08 -0.06 -0.54 0.00 0.00 175.26 174.60 2wr4 s PHE 231 N 1.48 3.30 0.32 5.30 0.40 -0.70 -1.40 117.98 126.67 2wr4 s PHE 231 Ca 0.06 0.22 0.05 0.00 -0.60 0.00 0.00 56.93 56.66 2wr4 s PHE 231 Cb -0.15 -1.75 -0.06 0.00 0.51 0.00 0.00 43.02 41.57 2wr4 s PHE 231 CO 0.03 0.56 0.01 -1.12 0.70 0.00 0.00 175.22 175.39 2wr4 s SER 232 N -1.65 2.69 0.07 1.36 0.01 0.30 -0.78 113.70 115.69 2wr4 s SER 232 Ca 0.22 -1.31 -0.10 0.00 1.31 0.00 0.00 55.95 56.08 2wr4 s SER 232 Cb -0.12 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 65.96 2wr4 s SER 232 CO 0.13 -0.49 0.21 -1.66 0.41 0.00 0.00 173.24 171.83 2wr4 s TRP 233 N -3.12 0.08 0.12 2.43 1.48 -1.26 -1.83 118.94 116.84 2wr4 s TRP 233 Ca 0.34 -0.39 -0.10 0.00 -1.06 0.00 0.00 56.10 54.88 2wr4 s TRP 233 Cb 0.07 -0.02 0.00 0.00 -1.16 0.00 0.00 33.47 32.36 2wr4 s TRP 233 CO 0.14 -0.50 0.26 -0.08 -4.06 0.00 0.00 176.95 172.72 2wr4 s THR 234 N -3.21 0.10 -0.26 0.66 -1.32 -0.76 -5.01 115.64 105.83 2wr4 s THR 234 Ca -0.00 -1.14 -0.09 0.00 -1.21 0.00 0.00 61.69 59.25 2wr4 s THR 234 Cb 0.02 -1.48 -0.04 0.00 -1.51 0.00 0.00 72.50 69.49 2wr4 s THR 234 CO -0.07 -0.47 0.14 -0.76 -2.21 0.00 0.00 174.62 171.25 2wr4 s LEU 235 N -2.89 3.80 -0.35 9.08 1.43 -1.26 -1.41 118.68 127.08 2wr4 s LEU 235 Ca 0.09 -0.07 -0.18 0.00 -1.03 0.00 0.00 54.13 52.93 2wr4 s LEU 235 Cb 0.04 -2.04 -0.00 0.00 0.03 0.00 0.00 46.19 44.22 2wr4 s LEU 235 CO -0.07 -0.03 0.52 -0.22 0.23 0.00 0.00 176.35 176.78 2wr4 s LEU 236 N 1.61 4.34 0.71 1.79 2.96 0.18 -4.88 118.68 125.39 2wr4 s LEU 236 Ca 0.07 -0.01 -0.15 0.00 -0.22 0.00 0.00 54.13 53.81 2wr4 s LEU 236 Cb -0.15 -2.60 0.03 0.00 0.50 0.00 0.00 46.19 43.96 2wr4 s LEU 236 CO 0.07 -0.49 1.17 -1.61 -1.32 0.00 0.00 176.35 174.17 2wr4 s GLU 237 N 2.42 2.38 0.12 1.98 0.41 -1.26 -1.55 118.70 123.19 2wr4 s GLU 237 Ca 0.19 1.60 -0.35 0.00 -0.41 0.00 0.00 54.97 56.01 2wr4 s GLU 237 Cb -0.15 -1.88 -0.15 0.00 -1.78 0.00 0.00 34.13 30.17 2wr4 s GLU 237 CO 0.13 -1.62 1.52 0.25 -0.49 0.00 0.00 175.26 175.06 2wr4 n THR 238 N -2.63 0.04 -0.98 3.63 -2.24 -1.26 -1.38 114.28 109.45 2wr4 n THR 238 Ca 0.12 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 2wr4 n THR 238 Cb 0.51 -1.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.41 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 3.35 0.00 -3.26 4.78 7.02 0.11 -4.99 117.44 124.46 2wr4 n TRP 239 Ca 0.18 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.42 2wr4 n TRP 239 Cb 0.25 -0.70 -0.01 0.00 -2.42 0.00 0.00 31.31 28.44 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 -2.05 6.22 0.13 -0.99 3.68 -0.48 -4.77 116.67 118.41 2wr4 s ASP 240 Ca 0.00 0.46 0.11 0.00 2.13 0.00 0.00 52.55 55.25 2wr4 s ASP 240 Cb 0.00 -1.97 -0.04 0.00 -1.45 0.00 0.00 42.92 39.46 2wr4 s ASP 240 CO 0.00 -0.38 -0.25 0.54 0.13 0.00 0.00 175.17 175.21 2wr4 s VAL 241 N -2.39 2.39 -0.19 1.11 0.11 -1.26 -1.10 120.40 119.07 2wr4 s VAL 241 Ca 0.42 -1.72 -0.03 0.00 -2.93 0.00 0.00 61.98 57.72 2wr4 s VAL 241 Cb -0.10 -2.07 -0.01 0.00 -1.53 0.00 0.00 36.38 32.67 2wr4 s VAL 241 CO 0.37 0.08 -0.08 -0.51 -3.33 0.00 0.00 175.10 171.63 2wr4 s ILE 242 N -1.11 3.25 -0.24 7.04 2.07 -0.66 -4.26 121.20 127.29 2wr4 s ILE 242 Ca 0.15 -0.55 -0.10 0.00 -1.41 0.00 0.00 60.65 58.74 2wr4 s ILE 242 Cb -0.10 -2.44 -0.05 0.00 0.13 0.00 0.00 42.46 40.00 2wr4 s ILE 242 CO 0.07 0.46 0.15 0.20 -1.91 0.00 0.00 174.94 173.92 2wr4 s ASN 243 N 1.06 6.00 -0.16 4.50 0.01 0.59 -2.28 114.94 124.65 2wr4 s ASN 243 Ca 0.00 0.06 -0.07 0.00 -0.71 0.00 0.00 52.86 52.15 2wr4 s ASN 243 Cb -0.15 -2.09 -0.04 0.00 0.41 0.00 0.00 41.25 39.39 2wr4 s ASN 243 CO -0.01 0.04 0.07 -0.36 -1.51 0.00 0.00 177.10 175.33 2wr4 s PHE 244 N 1.19 3.30 -0.06 2.20 0.40 0.11 -2.04 117.98 123.06 2wr4 s PHE 244 Ca 0.07 0.17 -0.03 0.00 -0.60 0.00 0.00 56.93 56.54 2wr4 s PHE 244 Cb -0.14 -2.03 0.04 0.00 0.51 0.00 0.00 43.02 41.40 2wr4 s PHE 244 CO 0.05 0.28 0.14 -2.00 0.70 0.00 0.00 175.22 174.39 2wr4 s GLU 245 N 0.04 0.08 -0.14 0.44 2.12 -0.15 -2.39 118.70 118.69 2wr4 s GLU 245 Ca 0.06 0.38 -0.14 0.00 0.36 0.00 0.00 54.97 55.63 2wr4 s GLU 245 Cb -0.12 -0.20 0.04 0.00 0.26 0.00 0.00 34.13 34.11 2wr4 s GLU 245 CO 0.01 -0.18 0.40 0.45 -0.54 0.00 0.00 175.26 175.39 2wr4 s SER 246 N 1.29 -0.40 0.00 -1.70 0.15 0.27 -0.10 113.70 113.20 2wr4 s SER 246 Ca -0.08 0.74 0.22 0.00 0.70 0.00 0.00 55.95 57.54 2wr4 s SER 246 Cb -0.12 0.77 0.37 0.00 -1.71 0.00 0.00 66.02 65.33 2wr4 s SER 246 CO -0.06 -0.17 1.35 0.35 1.20 0.00 0.00 173.24 175.91 2wr4 n THR 247 N 2.69 0.43 0.00 6.45 -2.24 -0.96 0.18 114.28 120.84 2wr4 n THR 247 Ca -0.14 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 2wr4 n THR 247 Cb 0.57 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.85 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 1.40 3.80 2.05 3.38 0.00 -1.26 -4.77 105.19 109.80 2wr4 n GLY 248 Ca 0.18 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.11 -4.71 1.61 3.02 -1.26 -4.26 115.26 107.55 2wr4 n ASN 249 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 2wr4 n ASN 249 Cb 0.00 -0.35 -0.03 0.00 -0.61 0.00 0.00 39.78 38.79 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 4.38 -0.47 3.41 2.96 -1.26 -0.54 118.68 127.16 2wr4 s LEU 250 Ca 0.00 1.65 -0.11 0.00 -0.22 0.00 0.00 54.13 55.45 2wr4 s LEU 250 Cb 0.00 -3.54 0.11 0.00 0.50 0.00 0.00 46.19 43.26 2wr4 s LEU 250 CO 0.00 -0.23 0.35 -0.63 -1.32 0.00 0.00 176.35 174.53 2wr4 s ILE 251 N 0.87 4.45 0.37 6.68 -1.09 0.18 -3.40 121.20 129.27 2wr4 s ILE 251 Ca 0.50 -1.60 -0.21 0.00 -2.23 0.00 0.00 60.65 57.11 2wr4 s ILE 251 Cb -0.21 -3.85 -0.10 0.00 -1.58 0.00 0.00 42.46 36.72 2wr4 s ILE 251 CO 0.28 -0.72 0.90 0.00 -1.23 0.00 0.00 174.94 174.17 2wr4 s ALA 252 N 1.43 3.15 0.35 9.38 0.00 0.28 -1.08 121.76 135.27 2wr4 s ALA 252 Ca 0.05 0.37 -0.25 0.00 0.00 0.00 0.00 51.96 52.12 2wr4 s ALA 252 Cb -0.26 -3.08 -0.10 0.00 0.00 0.00 0.00 23.12 19.68 2wr4 s ALA 252 CO 0.01 0.18 0.96 -1.25 0.00 0.00 0.00 175.76 175.66 2wr4 s PRO 253 N -2.78 4.46 -0.14 0.00 0.04 -1.25 0.67 135.00 136.01 2wr4 s PRO 253 Ca 0.57 1.30 0.14 0.00 0.04 0.00 0.00 61.00 63.05 2wr4 s PRO 253 Cb -0.12 -2.63 -0.24 0.00 0.04 0.00 0.00 34.50 31.54 2wr4 s PRO 253 CO 0.17 0.16 0.30 -1.91 0.04 0.00 0.00 177.00 175.76 2wr4 n GLU 254 N 0.23 0.67 -4.39 4.56 2.13 -0.02 -4.59 120.64 119.22 2wr4 n GLU 254 Ca 0.03 0.13 -0.26 0.00 0.66 0.00 0.00 57.16 57.72 2wr4 n GLU 254 Cb 0.51 -1.64 -0.11 0.00 0.27 0.00 0.00 31.44 30.48 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 -2.54 2.39 0.30 4.31 1.51 -1.22 -1.33 117.35 120.78 2wr4 s TYR 255 Ca -0.10 -0.32 0.05 0.00 -1.01 0.00 0.00 57.07 55.70 2wr4 s TYR 255 Cb 0.07 -1.16 -0.06 0.00 -0.11 0.00 0.00 41.96 40.70 2wr4 s TYR 255 CO 0.81 0.54 -0.00 0.20 -1.11 0.00 0.00 175.55 175.99 2wr4 s GLY 256 N -2.87 1.92 -0.28 0.71 0.00 0.48 -4.64 107.32 102.64 2wr4 s GLY 256 Ca 0.23 -1.97 0.03 0.00 0.00 0.00 0.00 44.72 43.01 2wr4 s GLY 256 CO 0.12 -1.82 -0.04 -1.36 0.00 0.00 0.00 173.10 170.00 2wr4 s PHE 257 N -3.15 3.13 0.18 1.90 0.40 0.43 -0.54 117.98 120.32 2wr4 s PHE 257 Ca 0.32 -2.37 -0.33 0.00 -0.60 0.00 0.00 56.93 53.95 2wr4 s PHE 257 Cb 0.06 -2.13 -0.13 0.00 0.51 0.00 0.00 43.02 41.33 2wr4 s PHE 257 CO 0.13 -0.88 1.61 1.63 0.70 0.00 0.00 175.22 178.41 2wr4 n LYS 258 N 4.45 2.29 -3.77 0.44 5.02 0.04 -0.54 118.16 126.10 2wr4 n LYS 258 Ca -0.08 0.83 -0.13 0.00 -2.02 0.00 0.00 58.31 56.91 2wr4 n LYS 258 Cb 0.42 -2.61 -0.11 0.00 -0.02 0.00 0.00 35.03 32.71 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 0.93 0.01 0.04 -0.18 2.07 -0.54 -1.30 121.20 122.22 2wr4 s ILE 259 Ca 0.78 -0.04 0.01 0.00 -1.41 0.00 0.00 60.65 59.98 2wr4 s ILE 259 Cb -0.64 -0.44 -0.02 0.00 0.13 0.00 0.00 42.46 41.49 2wr4 s ILE 259 CO 0.37 -0.02 -0.05 -0.44 -1.91 0.00 0.00 174.94 172.88 2wr4 s SER 260 N 0.04 0.57 -0.01 4.50 0.01 -0.91 -3.83 113.70 114.07 2wr4 s SER 260 Ca -0.01 -0.58 0.02 0.00 1.31 0.00 0.00 55.95 56.69 2wr4 s SER 260 Cb -0.02 0.08 -0.00 0.00 0.21 0.00 0.00 66.02 66.28 2wr4 s SER 260 CO 0.01 -0.28 -0.07 -0.54 0.41 0.00 0.00 173.24 172.76 2wr4 s LYS 261 N -1.79 0.64 -0.13 12.44 1.02 -1.26 0.96 119.74 131.63 2wr4 s LYS 261 Ca -0.10 -0.25 -0.11 0.00 0.02 0.00 0.00 55.97 55.52 2wr4 s LYS 261 Cb -0.08 -0.62 -0.08 0.00 -0.52 0.00 0.00 37.83 36.52 2wr4 s LYS 261 CO -0.01 0.14 0.14 0.07 -0.92 0.00 0.00 175.35 174.76 2wr4 h ARG 262 N 6.10 0.00 0.00 1.68 -0.00 -1.89 -3.47 114.38 116.79 2wr4 h ARG 262 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.67 2wr4 h ARG 262 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.15 2wr4 h ARG 262 CO 0.50 0.32 0.00 0.41 -0.00 0.00 0.00 179.97 181.20 2wr4 n GLY 263 N 1.66 5.31 3.20 0.08 0.00 -1.26 -5.17 105.19 109.02 2wr4 n GLY 263 Ca -0.08 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 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 1.20 0.57 0.00 1.61 0.15 -1.26 -4.80 113.70 111.17 2wr4 s SER 264 Ca 0.00 -1.26 0.00 0.00 0.70 0.00 0.00 55.95 55.39 2wr4 s SER 264 Cb 0.00 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 2wr4 s SER 264 CO 0.00 -0.72 0.00 -0.24 1.20 0.00 0.00 173.24 173.48 2wr4 n SER 265 N -0.21 0.31 -4.11 5.45 2.88 -1.26 -4.94 113.62 111.73 2wr4 n SER 265 Ca -0.03 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.41 2wr4 n SER 265 Cb 0.64 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 64.01 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 0.94 -0.19 0.46 0.00 -1.26 -4.82 107.32 102.46 2wr4 s GLY 266 Ca 0.00 -1.37 -0.10 0.00 0.00 0.00 0.00 44.72 43.25 2wr4 s GLY 266 CO 0.00 -1.24 0.15 -0.42 0.00 0.00 0.00 173.10 171.59 2wr4 s ILE 267 N -4.05 5.41 -0.38 0.90 1.01 -1.26 -2.30 121.20 120.53 2wr4 s ILE 267 Ca 0.25 0.23 -0.12 0.00 0.00 0.00 0.00 60.65 61.01 2wr4 s ILE 267 Cb 0.06 -3.48 0.03 0.00 0.01 0.00 0.00 42.46 39.08 2wr4 s ILE 267 CO 0.03 0.45 0.23 -0.32 0.00 0.00 0.00 174.94 175.34 2wr4 s MET 268 N 0.24 2.85 -0.38 2.79 -2.45 0.16 -4.87 119.30 117.64 2wr4 s MET 268 Ca 0.10 -1.08 -0.29 0.00 -1.25 0.00 0.00 55.69 53.17 2wr4 s MET 268 Cb -0.11 -3.80 0.02 0.00 1.25 0.00 0.00 34.83 32.19 2wr4 s MET 268 CO -0.01 -0.72 1.18 0.15 1.05 0.00 0.00 175.02 176.67 2wr4 s LYS 269 N 1.58 3.87 0.19 4.11 3.01 -1.26 -2.42 119.74 128.82 2wr4 s LYS 269 Ca 0.03 0.92 -0.24 0.00 -1.01 0.00 0.00 55.97 55.67 2wr4 s LYS 269 Cb -0.19 -3.85 0.05 0.00 -1.01 0.00 0.00 37.83 32.83 2wr4 s LYS 269 CO 0.07 -1.18 0.89 -0.08 0.51 0.00 0.00 175.35 175.57 2wr4 s THR 270 N 4.26 0.00 -0.09 2.17 -1.32 -0.89 -4.85 115.64 114.92 2wr4 s THR 270 Ca 0.50 -0.74 0.16 0.00 -1.21 0.00 0.00 61.69 60.41 2wr4 s THR 270 Cb -0.11 -1.97 -0.24 0.00 -1.51 0.00 0.00 72.50 68.66 2wr4 s THR 270 CO 0.24 0.00 0.23 -0.62 -2.21 0.00 0.00 174.62 172.26 2wr4 n GLU 271 N -0.46 0.91 -0.65 7.08 -0.58 -1.26 -3.89 120.64 121.79 2wr4 n GLU 271 Ca -0.06 -0.09 -0.31 0.00 -0.42 0.00 0.00 57.16 56.28 2wr4 n GLU 271 Cb 0.60 -1.43 0.18 0.00 -0.57 0.00 0.00 31.44 30.23 2wr4 n GLU 271 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2wr4 n LYS 272 N -2.37 -1.48 -4.19 3.49 5.02 -1.26 -5.05 118.16 112.32 2wr4 n LYS 272 Ca -0.15 -0.40 -0.17 0.00 -2.02 0.00 0.00 58.31 55.56 2wr4 n LYS 272 Cb 0.75 -1.91 -0.12 0.00 -0.02 0.00 0.00 35.03 33.74 2wr4 n LYS 272 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wr4 s THR 273 N -2.34 0.91 0.24 -0.18 -4.23 -1.26 -5.05 115.64 103.73 2wr4 s THR 273 Ca 0.60 -1.09 -0.30 0.00 -1.18 0.00 0.00 61.69 59.73 2wr4 s THR 273 Cb -0.18 -0.88 -0.15 0.00 1.34 0.00 0.00 72.50 72.63 2wr4 s THR 273 CO 0.66 -0.18 0.99 -0.11 -0.54 0.00 0.00 174.62 175.43 2wr4 n LEU 274 N 1.62 1.26 0.00 4.79 0.00 -1.26 -4.35 117.00 119.06 2wr4 n LEU 274 Ca -0.20 1.16 0.00 0.00 0.00 0.00 0.00 56.01 56.97 2wr4 n LEU 274 Cb 0.55 -1.21 0.00 0.00 0.00 0.00 0.00 43.42 42.75 2wr4 n LEU 274 CO 0.22 -1.60 0.30 1.21 0.00 0.00 0.00 177.39 177.52 2wr4 n GLU 275 N 1.08 0.91 -2.38 1.96 2.13 0.24 -4.96 120.64 119.63 2wr4 n GLU 275 Ca 0.13 -0.79 -0.03 0.00 0.66 0.00 0.00 57.16 57.12 2wr4 n GLU 275 Cb 0.28 -0.77 0.00 0.00 0.27 0.00 0.00 31.44 31.23 2wr4 n GLU 275 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2wr4 n ASN 276 N -0.18 -5.67 0.00 4.31 5.15 -1.26 -5.02 115.26 112.58 2wr4 n ASN 276 Ca 0.00 0.21 0.00 0.00 -0.60 0.00 0.00 54.58 54.19 2wr4 n ASN 276 Cb 0.28 -3.72 0.00 0.00 -0.53 0.00 0.00 39.78 35.81 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 4.72 0.86 0.10 0.00 2.56 -1.26 -3.88 118.70 121.79 2wr4 s GLU 278 Ca 0.00 0.75 -0.21 0.00 0.00 0.00 0.00 54.97 55.51 2wr4 s GLU 278 Cb 0.00 0.41 0.05 0.00 2.00 0.00 0.00 34.13 36.60 2wr4 s GLU 278 CO 0.00 -0.15 0.52 0.99 -0.56 0.00 0.00 175.26 176.06 2wr4 s THR 279 N -0.05 0.03 -1.40 -1.70 2.01 -1.04 -4.92 115.64 108.57 2wr4 s THR 279 Ca -0.03 -0.24 0.23 0.00 0.31 0.00 0.00 61.69 61.96 2wr4 s THR 279 Cb -0.04 -1.03 -0.05 0.00 0.01 0.00 0.00 72.50 71.40 2wr4 s THR 279 CO 0.03 -0.13 1.15 2.29 -0.69 0.00 0.00 174.62 177.27 2wr4 n LYS 280 N 0.03 0.46 -3.51 4.92 0.00 -1.26 -2.29 118.16 116.52 2wr4 n LYS 280 Ca -0.17 -0.35 -0.12 0.00 -0.00 0.00 0.00 58.31 57.67 2wr4 n LYS 280 Cb 0.62 -1.49 -0.10 0.00 -0.00 0.00 0.00 35.03 34.06 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 2.68 0.25 0.00 2.00 -0.52 -0.30 119.66 126.25 2wr4 s GLN 282 Ca 0.06 -0.62 0.09 0.00 -2.00 0.00 0.00 55.36 52.89 2wr4 s GLN 282 Cb -0.14 -2.50 -0.05 0.00 0.80 0.00 0.00 33.01 31.12 2wr4 s GLN 282 CO -0.13 0.62 -0.14 0.95 -0.50 0.00 0.00 175.29 176.09 2wr4 s THR 283 N -0.70 1.95 -1.41 -0.34 -4.23 0.27 -0.87 115.64 110.30 2wr4 s THR 283 Ca 0.11 -2.25 0.07 0.00 -1.18 0.00 0.00 61.69 58.44 2wr4 s THR 283 Cb -0.11 -2.22 0.12 0.00 1.34 0.00 0.00 72.50 71.63 2wr4 s THR 283 CO 0.01 -0.47 1.09 -2.65 -0.54 0.00 0.00 174.62 172.06 2wr4 n PRO 284 N -0.50 0.10 -0.01 3.99 -0.02 -1.26 -1.52 135.00 135.78 2wr4 n PRO 284 Ca -0.07 0.23 0.09 0.00 -2.02 0.00 0.00 63.50 61.73 2wr4 n PRO 284 Cb 0.61 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.46 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 -1.29 0.09 0.00 2.45 4.77 -1.26 -4.90 117.00 116.85 2wr4 n LEU 285 Ca 0.03 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2wr4 n LEU 285 Cb 0.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2wr4 n LEU 285 CO 0.05 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.75 2wr4 n GLY 286 N 1.49 0.17 3.90 -0.72 0.00 -0.57 -3.84 105.19 105.62 2wr4 n GLY 286 Ca -0.03 -1.50 -0.28 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.72 3.39 -0.17 4.61 0.00 -0.97 -0.56 121.76 126.33 2wr4 s ALA 287 Ca 0.00 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.54 2wr4 s ALA 287 Cb 0.00 -2.62 0.02 0.00 0.00 0.00 0.00 23.12 20.52 2wr4 s ALA 287 CO 0.00 -0.28 -0.20 0.42 0.00 0.00 0.00 175.76 175.70 2wr4 s ILE 288 N -2.67 2.03 -0.33 0.00 1.09 0.58 -2.13 121.20 119.79 2wr4 s ILE 288 Ca 0.48 -0.93 -0.03 0.00 -1.10 0.00 0.00 60.65 59.07 2wr4 s ILE 288 Cb -0.10 -1.83 0.06 0.00 -1.06 0.00 0.00 42.46 39.53 2wr4 s ILE 288 CO 0.42 0.54 0.05 0.21 -0.10 0.00 0.00 174.94 176.06 2wr4 s ASN 289 N 1.17 5.04 0.07 3.58 2.47 -1.26 -4.15 114.94 121.85 2wr4 s ASN 289 Ca 0.02 -1.37 -0.23 0.00 0.42 0.00 0.00 52.86 51.69 2wr4 s ASN 289 Cb -0.14 -1.76 0.06 0.00 -1.45 0.00 0.00 41.25 37.96 2wr4 s ASN 289 CO -0.10 -0.32 0.56 0.28 -3.72 0.00 0.00 177.10 173.80 2wr4 s THR 290 N 1.26 0.02 -0.22 -5.21 -1.32 -1.26 -5.02 115.64 103.89 2wr4 s THR 290 Ca -0.02 -0.16 0.19 0.00 -1.21 0.00 0.00 61.69 60.48 2wr4 s THR 290 Cb -0.20 -1.00 -0.27 0.00 -1.51 0.00 0.00 72.50 69.52 2wr4 s THR 290 CO -0.01 -0.09 0.50 0.41 -2.21 0.00 0.00 174.62 173.22 2wr4 n THR 291 N 0.22 0.00 -1.78 5.08 -1.04 -1.26 -5.02 114.28 110.48 2wr4 n THR 291 Ca -0.18 -0.35 -0.33 0.00 -2.04 0.00 0.00 64.05 61.16 2wr4 n THR 291 Cb 0.61 0.29 0.04 0.00 -1.82 0.00 0.00 70.33 69.46 2wr4 n THR 291 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2wr4 s LEU 292 N -3.97 3.39 0.15 -4.42 1.43 -1.26 -4.97 118.68 109.04 2wr4 s LEU 292 Ca -0.04 1.95 0.25 0.00 -1.03 0.00 0.00 54.13 55.26 2wr4 s LEU 292 Cb 0.12 -4.54 0.56 0.00 0.03 0.00 0.00 46.19 42.36 2wr4 s LEU 292 CO 0.78 -1.56 1.53 -0.81 0.23 0.00 0.00 176.35 176.52 2wr4 n PRO 293 N -2.41 0.27 -4.12 1.29 -0.05 -1.26 -4.65 135.00 124.07 2wr4 n PRO 293 Ca 0.10 0.14 -0.15 0.00 -0.05 0.00 0.00 63.50 63.54 2wr4 n PRO 293 Cb 0.52 -1.73 -0.11 0.00 -0.05 0.00 0.00 33.50 32.13 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 -3.13 0.91 0.08 0.54 0.08 -1.23 -1.08 117.98 114.14 2wr4 s PHE 294 Ca 0.08 -0.53 -0.04 0.00 0.12 0.00 0.00 56.93 56.56 2wr4 s PHE 294 Cb 0.13 -0.52 -0.02 0.00 -0.57 0.00 0.00 43.02 42.03 2wr4 s PHE 294 CO 0.66 -0.03 0.08 -3.38 -0.10 0.00 0.00 175.22 172.45 2wr4 s HIS 295 N -1.59 0.41 -0.07 0.36 -3.43 -0.15 0.24 115.29 111.05 2wr4 s HIS 295 Ca -0.04 -0.89 0.11 0.00 -0.80 0.00 0.00 55.06 53.44 2wr4 s HIS 295 Cb -0.08 -0.26 0.20 0.00 -1.43 0.00 0.00 32.58 31.01 2wr4 s HIS 295 CO 0.01 -0.47 1.10 0.27 -2.00 0.00 0.00 174.74 173.64 2wr4 n ASN 296 N 0.01 1.18 0.03 7.38 0.23 -1.06 -0.72 115.26 122.31 2wr4 n ASN 296 Ca -0.13 -2.61 -0.13 0.00 -0.53 0.00 0.00 54.58 51.18 2wr4 n ASN 296 Cb 0.62 -0.33 -0.09 0.00 -2.08 0.00 0.00 39.78 37.90 2wr4 n ASN 296 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 2wr4 h ILE 297 N 3.73 1.20 -1.23 1.53 2.04 -1.88 -3.47 117.51 119.42 2wr4 h ILE 297 Ca -0.03 -0.92 0.17 0.00 1.00 0.00 0.00 64.86 65.08 2wr4 h ILE 297 Cb 1.26 1.79 -0.31 0.00 -0.74 0.00 0.00 36.82 38.82 2wr4 h ILE 297 CO 0.01 0.23 0.65 -2.28 0.00 0.00 0.00 178.15 176.76 2wr4 s HIS 298 N -4.49 -0.23 0.30 1.37 5.04 -1.26 -5.04 115.29 110.97 2wr4 s HIS 298 Ca -0.15 0.48 0.04 0.00 -1.54 0.00 0.00 55.06 53.89 2wr4 s HIS 298 Cb 0.02 0.20 0.48 0.00 0.04 0.00 0.00 32.58 33.33 2wr4 s HIS 298 CO 0.64 -0.11 1.76 -1.35 -2.34 0.00 0.00 174.74 173.34 2wr4 h PRO 299 N 5.09 0.43 -4.54 2.88 0.11 -1.98 -3.38 132.00 130.60 2wr4 h PRO 299 Ca -0.27 -0.15 -0.73 0.00 0.11 0.00 0.00 66.00 64.96 2wr4 h PRO 299 Cb 1.17 -0.03 -0.13 0.00 0.11 0.00 0.00 31.00 32.11 2wr4 h PRO 299 CO 0.21 0.63 1.92 1.28 -0.21 0.00 0.00 178.00 181.83 2wr4 n LEU 300 N -4.15 5.75 -4.96 2.35 4.77 -1.26 -4.87 117.00 114.63 2wr4 n LEU 300 Ca -0.00 -4.37 -0.20 0.00 -0.03 0.00 0.00 56.01 51.42 2wr4 n LEU 300 Cb 0.38 -1.61 -0.01 0.00 -2.33 0.00 0.00 43.42 39.84 2wr4 n LEU 300 CO 0.41 0.84 0.02 0.42 -1.33 0.00 0.00 177.39 177.74 2wr4 s THR 301 N 1.97 4.18 -0.07 -5.08 -4.23 -1.26 -4.19 115.64 106.95 2wr4 s THR 301 Ca 0.45 -1.06 -0.01 0.00 -1.18 0.00 0.00 61.69 59.88 2wr4 s THR 301 Cb 0.04 -3.44 0.03 0.00 1.34 0.00 0.00 72.50 70.47 2wr4 s THR 301 CO 0.01 -0.19 0.01 -0.63 -0.54 0.00 0.00 174.62 173.28 2wr4 s ILE 302 N -2.16 0.30 -4.38 2.99 1.01 -0.05 -3.89 121.20 115.01 2wr4 s ILE 302 Ca 0.42 0.17 0.00 0.00 0.00 0.00 0.00 60.65 61.24 2wr4 s ILE 302 Cb -0.09 -0.47 0.00 0.00 0.01 0.00 0.00 42.46 41.91 2wr4 s ILE 302 CO 0.30 0.25 0.00 0.61 0.00 0.00 0.00 174.94 176.10 2wr4 n GLY 303 N 5.16 0.91 3.40 6.18 0.00 -0.47 -1.44 105.19 118.93 2wr4 n GLY 303 Ca -0.07 -1.91 -0.44 0.00 0.00 0.00 0.00 46.02 43.60 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 -1.75 3.06 0.15 1.61 2.02 -0.04 -1.45 118.70 122.30 2wr4 s GLU 304 Ca 0.00 -1.18 0.10 0.00 0.02 0.00 0.00 54.97 53.91 2wr4 s GLU 304 Cb 0.00 -4.18 -0.04 0.00 0.10 0.00 0.00 34.13 30.00 2wr4 s GLU 304 CO 0.00 -1.33 -0.21 0.00 0.02 0.00 0.00 175.26 173.74 2wr4 s PRO 306 N -2.35 1.13 0.29 0.00 0.02 -1.26 -4.84 135.00 127.98 2wr4 s PRO 306 Ca 0.18 1.58 -0.29 0.00 0.02 0.00 0.00 61.00 62.49 2wr4 s PRO 306 Cb -0.09 -1.74 -0.10 0.00 0.02 0.00 0.00 34.50 32.59 2wr4 s PRO 306 CO 0.09 -2.55 1.26 0.21 -0.33 0.00 0.00 177.00 175.68 2wr4 s LYS 307 N -4.57 4.43 -0.11 5.54 2.47 -0.24 -4.63 119.74 122.63 2wr4 s LYS 307 Ca 0.68 2.08 -0.23 0.00 -1.56 0.00 0.00 55.97 56.94 2wr4 s LYS 307 Cb -0.24 -3.13 -0.03 0.00 -1.46 0.00 0.00 37.83 32.98 2wr4 s LYS 307 CO 0.57 -0.11 0.70 -0.47 0.16 0.00 0.00 175.35 176.20 2wr4 s TYR 308 N -0.85 3.51 0.10 4.03 5.04 -1.26 -0.98 117.35 126.95 2wr4 s TYR 308 Ca 0.50 1.18 0.08 0.00 -2.44 0.00 0.00 57.07 56.39 2wr4 s TYR 308 Cb -0.37 -2.83 -0.03 0.00 0.35 0.00 0.00 41.96 39.08 2wr4 s TYR 308 CO 0.47 -0.01 -0.21 0.54 -1.34 0.00 0.00 175.55 175.00 2wr4 s VAL 309 N 1.21 1.70 -0.74 3.14 0.11 0.10 -4.81 120.40 121.12 2wr4 s VAL 309 Ca 0.36 -1.55 -0.04 0.00 -2.93 0.00 0.00 61.98 57.82 2wr4 s VAL 309 Cb -0.17 -1.56 0.15 0.00 -1.53 0.00 0.00 36.38 33.28 2wr4 s VAL 309 CO 0.15 -0.07 2.47 1.17 -3.33 0.00 0.00 175.10 175.50 2wr4 n LYS 310 N 1.07 3.14 -3.94 1.54 4.81 -1.26 -4.51 118.16 119.00 2wr4 n LYS 310 Ca -0.19 -2.98 -0.10 0.00 -0.87 0.00 0.00 58.31 54.16 2wr4 n LYS 310 Cb 0.54 -2.29 -0.11 0.00 0.02 0.00 0.00 35.03 33.19 2wr4 n LYS 310 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2wr4 s SER 311 N -0.07 0.16 0.00 3.14 0.15 -1.26 -5.06 113.70 110.76 2wr4 s SER 311 Ca 0.55 -0.38 0.03 0.00 0.70 0.00 0.00 55.95 56.85 2wr4 s SER 311 Cb 0.34 0.14 0.08 0.00 -1.71 0.00 0.00 66.02 64.87 2wr4 s SER 311 CO -0.23 -0.31 1.04 -0.90 1.20 0.00 0.00 173.24 174.04 2wr4 n ASP 312 N 1.61 2.19 -3.53 5.45 5.68 -1.26 -4.70 116.55 121.99 2wr4 n ASP 312 Ca -0.23 -1.95 -0.07 0.00 -0.50 0.00 0.00 54.79 52.05 2wr4 n ASP 312 Cb 0.55 -0.06 -0.08 0.00 -1.14 0.00 0.00 41.12 40.40 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 -0.95 0.38 -0.45 0.11 0.52 -1.26 -5.09 118.95 112.22 2wr4 s ARG 313 Ca 0.06 0.96 0.03 0.00 -0.52 0.00 0.00 55.73 56.26 2wr4 s ARG 313 Cb 0.03 0.21 0.12 0.00 0.52 0.00 0.00 34.95 35.84 2wr4 s ARG 313 CO 0.04 -0.38 0.20 -0.51 0.02 0.00 0.00 175.30 174.68 2wr4 s LEU 314 N 2.65 3.69 -0.30 2.53 1.43 -1.26 -5.04 118.68 122.38 2wr4 s LEU 314 Ca 0.04 -2.63 -0.01 0.00 -1.03 0.00 0.00 54.13 50.50 2wr4 s LEU 314 Cb -0.13 -1.38 0.05 0.00 0.03 0.00 0.00 46.19 44.76 2wr4 s LEU 314 CO -0.15 -0.28 -0.00 -0.69 0.23 0.00 0.00 176.35 175.45 2wr4 s VAL 315 N 0.28 2.89 0.10 -1.59 1.01 -1.26 -0.81 120.40 121.02 2wr4 s VAL 315 Ca 0.16 -1.46 -0.30 0.00 0.00 0.00 0.00 61.98 60.38 2wr4 s VAL 315 Cb -0.24 -2.69 -0.06 0.00 0.00 0.00 0.00 36.38 33.40 2wr4 s VAL 315 CO -0.03 -0.13 0.95 -0.76 0.00 0.00 0.00 175.10 175.12 2wr4 s LEU 316 N 1.22 4.49 0.16 3.92 1.02 0.07 -4.68 118.68 124.88 2wr4 s LEU 316 Ca -0.05 1.76 -0.30 0.00 0.02 0.00 0.00 54.13 55.56 2wr4 s LEU 316 Cb -0.20 -3.56 -0.07 0.00 0.02 0.00 0.00 46.19 42.38 2wr4 s LEU 316 CO -0.02 -0.07 1.07 0.00 0.02 0.00 0.00 176.35 177.35 2wr4 s ALA 317 N 0.07 3.34 -0.08 4.21 0.00 -1.26 0.04 121.76 128.08 2wr4 s ALA 317 Ca 0.47 0.76 -0.01 0.00 0.00 0.00 0.00 51.96 53.17 2wr4 s ALA 317 Cb -0.23 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 2wr4 s ALA 317 CO 0.29 -0.17 -0.08 0.25 0.00 0.00 0.00 175.76 176.05 2wr4 n THR 318 N 2.52 0.44 -0.05 0.00 -2.24 -0.05 -4.87 114.28 110.03 2wr4 n THR 318 Ca 0.03 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2wr4 n THR 318 Cb 0.47 -1.11 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 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 2.87 -0.17 3.80 3.38 0.00 0.83 -4.91 105.19 110.99 2wr4 n GLY 319 Ca -0.14 -1.60 -0.26 0.00 0.00 0.00 0.00 46.02 44.02 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 2.95 -0.14 0.99 2.34 -1.26 -4.67 118.68 118.89 2wr4 s LEU 320 Ca 0.00 -1.15 -0.30 0.00 0.06 0.00 0.00 54.13 52.74 2wr4 s LEU 320 Cb 0.00 -1.37 -0.08 0.00 -0.56 0.00 0.00 46.19 44.19 2wr4 s LEU 320 CO 0.00 -0.73 2.11 -1.14 -1.06 0.00 0.00 176.35 175.52 2wr4 n ARG 321 N -1.41 2.18 -2.38 1.48 0.63 -1.26 0.38 116.66 116.28 2wr4 n ARG 321 Ca -0.03 0.70 -0.42 0.00 -0.92 0.00 0.00 57.85 57.19 2wr4 n ARG 321 Cb 0.64 -3.03 -0.03 0.00 0.45 0.00 0.00 32.46 30.50 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 6.56 6.11 -0.39 6.15 2.47 -0.73 -4.83 114.94 130.29 2wr4 s ASN 322 Ca 0.97 0.31 -0.03 0.00 0.42 0.00 0.00 52.86 54.53 2wr4 s ASN 322 Cb -0.46 -2.54 0.09 0.00 -1.45 0.00 0.00 41.25 36.89 2wr4 s ASN 322 CO 0.41 -1.72 0.16 -0.69 -3.72 0.00 0.00 177.10 171.54 2wr4 s VAL 323 N 6.13 3.30 -2.00 -5.21 1.01 -1.26 -4.87 120.40 117.50 2wr4 s VAL 323 Ca 0.53 -1.86 0.05 0.00 0.00 0.00 0.00 61.98 60.70 2wr4 s VAL 323 Cb -0.11 -3.16 0.13 0.00 0.00 0.00 0.00 36.38 33.24 2wr4 s VAL 323 CO 0.25 -0.55 0.64 -2.65 0.00 0.00 0.00 175.10 172.79 2wr4 n PRO 324 N 4.62 0.30 0.00 2.72 -0.02 -1.26 -0.96 135.00 140.41 2wr4 n PRO 324 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 2wr4 n PRO 324 Cb 0.42 -1.23 0.00 0.00 -0.02 0.00 0.00 33.50 32.67 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 -0.29 2.82 0.23 -1.23 0.00 -1.25 -4.57 105.19 100.90 2wr4 n GLY 330 Ca 0.03 -1.03 0.14 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.16 0.99 5.85 -1.94 -3.15 115.31 114.91 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 0.00 0.00 0.49 -0.34 0.00 0.00 178.44 178.59 2wr4 n PHE 332 N -3.03 0.17 -0.87 1.25 3.01 -1.26 -5.01 117.46 111.73 2wr4 n PHE 332 Ca 0.03 -0.26 0.00 0.00 1.01 0.00 0.00 57.45 58.22 2wr4 n PHE 332 Cb 0.43 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.88 2wr4 n PHE 332 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wr4 n GLY 333 N 0.31 0.42 0.04 1.37 0.00 -1.19 -4.88 105.19 101.26 2wr4 n GLY 333 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 2wr4 n GLY 333 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr4 h ALA 334 N 0.00 0.00 -2.39 4.61 0.00 -1.88 -0.57 119.26 119.02 2wr4 h ALA 334 Ca 0.00 -0.36 -0.54 0.00 0.00 0.00 0.00 54.91 54.00 2wr4 h ALA 334 Cb 0.19 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2wr4 h ALA 334 CO 0.00 0.26 0.86 0.42 0.00 0.00 0.00 179.25 180.78 2wr4 s ILE 335 N -1.65 3.58 -1.52 0.00 1.01 -1.26 -1.80 121.20 119.55 2wr4 s ILE 335 Ca -0.07 0.98 -0.13 0.00 0.00 0.00 0.00 60.65 61.42 2wr4 s ILE 335 Cb 0.01 -3.63 0.09 0.00 0.01 0.00 0.00 42.46 38.94 2wr4 s ILE 335 CO 0.11 0.00 0.91 0.00 0.00 0.00 0.00 174.94 175.96 2wr4 n ALA 336 N 5.35 -1.24 -1.80 9.38 0.00 -1.22 -3.85 120.51 127.12 2wr4 n ALA 336 Ca 0.14 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2wr4 n ALA 336 Cb 0.43 -4.25 0.00 0.00 0.00 0.00 0.00 19.45 15.63 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 -1.61 1.47 0.02 0.00 0.00 -0.75 -4.61 105.19 99.72 2wr4 n GLY 337 Ca 0.04 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 45.97 2wr4 n GLY 337 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2wr4 n PHE 338 N 0.00 0.14 -3.61 1.61 1.16 -0.22 -4.30 117.46 112.24 2wr4 n PHE 338 Ca 0.00 0.04 -0.39 0.00 -1.87 0.00 0.00 57.45 55.23 2wr4 n PHE 338 Cb 0.00 -0.33 -0.08 0.00 -1.61 0.00 0.00 39.48 37.46 2wr4 n PHE 338 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2wr4 s ILE 339 N -3.20 4.20 0.46 1.97 1.01 -0.99 -3.81 121.20 120.84 2wr4 s ILE 339 Ca 0.03 -2.70 0.13 0.00 0.00 0.00 0.00 60.65 58.11 2wr4 s ILE 339 Cb 0.15 -3.70 0.21 0.00 0.01 0.00 0.00 42.46 39.13 2wr4 s ILE 339 CO 0.83 -0.90 2.03 -0.33 0.00 0.00 0.00 174.94 176.58 2wr4 h GLU 340 N 7.38 0.09 -4.66 2.79 5.08 -1.81 -3.24 114.58 120.21 2wr4 h GLU 340 Ca -0.01 -0.01 -0.26 0.00 -1.00 0.00 0.00 59.36 58.07 2wr4 h GLU 340 Cb 0.99 -0.02 -0.15 0.00 0.50 0.00 0.00 28.75 30.07 2wr4 h GLU 340 CO 0.74 0.18 -0.63 0.20 -1.00 0.00 0.00 179.01 178.50 2wr4 s GLY 341 N -4.08 1.43 0.24 -3.84 0.00 -1.26 -4.28 107.32 95.52 2wr4 s GLY 341 Ca -0.05 -1.70 0.02 0.00 0.00 0.00 0.00 44.72 42.99 2wr4 s GLY 341 CO 0.70 -1.45 0.39 -0.32 0.00 0.00 0.00 173.10 172.42 2wr4 s GLY 342 N -3.18 1.46 -0.44 0.20 0.00 -0.13 -4.72 107.32 100.50 2wr4 s GLY 342 Ca 0.35 -1.04 -0.18 0.00 0.00 0.00 0.00 44.72 43.85 2wr4 s GLY 342 CO 0.10 -1.02 0.51 -0.98 0.00 0.00 0.00 173.10 171.71 2wr4 s TRP 343 N -1.98 3.13 0.56 1.90 0.51 0.47 -4.82 118.94 118.71 2wr4 s TRP 343 Ca 0.36 -0.35 0.25 0.00 -2.12 0.00 0.00 56.10 54.24 2wr4 s TRP 343 Cb -0.10 -3.11 1.50 0.00 -0.81 0.00 0.00 33.47 30.95 2wr4 s TRP 343 CO 0.30 -0.80 2.07 1.96 -0.51 0.00 0.00 176.95 179.98 2wr4 h GLN 344 N 8.81 0.00 0.80 4.98 1.08 -1.85 -3.04 115.11 125.89 2wr4 h GLN 344 Ca -0.26 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 56.90 2wr4 h GLN 344 Cb 1.10 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.54 2wr4 h GLN 344 CO 0.85 0.00 -0.39 0.78 -0.95 0.00 0.00 178.83 179.12 2wr4 h GLY 345 N 0.00 -1.13 -5.28 3.46 0.00 -1.90 -3.42 103.07 94.81 2wr4 h GLY 345 Ca 0.12 0.42 -0.53 0.00 0.00 0.00 0.00 47.33 47.34 2wr4 h GLY 345 CO -0.00 -0.41 1.21 -0.29 0.00 0.00 0.00 176.54 177.05 2wr4 s MET 346 N -5.35 4.14 0.00 4.80 -2.45 -1.22 -4.86 119.30 114.37 2wr4 s MET 346 Ca -0.16 2.61 0.00 0.00 -1.25 0.00 0.00 55.69 56.90 2wr4 s MET 346 Cb 0.02 -4.04 0.00 0.00 1.25 0.00 0.00 34.83 32.06 2wr4 s MET 346 CO 0.47 -0.93 0.00 1.33 1.05 0.00 0.00 175.02 176.94 2wr4 n VAL 347 N 5.38 0.00 -1.54 10.11 0.24 -1.26 -4.59 118.33 126.66 2wr4 n VAL 347 Ca 0.19 -0.17 -0.25 0.00 -2.04 0.00 0.00 64.34 62.07 2wr4 n VAL 347 Cb 0.40 0.66 0.10 0.00 -1.47 0.00 0.00 33.84 33.53 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 -1.14 5.47 0.00 -1.34 5.75 -1.26 -4.99 116.55 119.03 2wr4 n ASP 348 Ca 0.00 -3.76 0.00 0.00 -0.01 0.00 0.00 54.79 51.02 2wr4 n ASP 348 Cb 0.00 -0.72 0.00 0.00 -1.03 0.00 0.00 41.12 39.37 2wr4 n ASP 348 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wr4 n GLY 349 N -0.93 0.49 0.13 6.12 0.00 -1.26 -4.84 105.19 104.91 2wr4 n GLY 349 Ca 0.52 -0.85 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 2wr4 n GLY 349 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2wr4 n TRP 350 N -0.11 1.09 -4.26 1.61 8.01 -1.26 -4.49 117.44 118.02 2wr4 n TRP 350 Ca 0.00 0.26 -0.21 0.00 -1.31 0.00 0.00 57.50 56.24 2wr4 n TRP 350 Cb 0.00 -1.14 -0.12 0.00 -2.01 0.00 0.00 31.31 28.04 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 -2.53 1.58 0.00 -5.99 1.51 -1.26 0.92 117.35 111.58 2wr4 s TYR 351 Ca -0.25 -0.47 0.00 0.00 -1.01 0.00 0.00 57.07 55.35 2wr4 s TYR 351 Cb 0.07 -0.85 0.00 0.00 -0.11 0.00 0.00 41.96 41.07 2wr4 s TYR 351 CO 0.73 0.18 0.00 0.41 -1.11 0.00 0.00 175.55 175.76 2wr4 n GLY 352 N 0.87 2.03 3.25 0.71 0.00 -0.86 -0.60 105.19 110.59 2wr4 n GLY 352 Ca -0.18 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.42 1.57 -0.03 1.61 1.51 0.15 -1.42 117.35 118.33 2wr4 s TYR 353 Ca 0.00 -0.45 0.03 0.00 -1.01 0.00 0.00 57.07 55.64 2wr4 s TYR 353 Cb 0.00 -0.85 -0.00 0.00 -0.11 0.00 0.00 41.96 41.00 2wr4 s TYR 353 CO 0.00 0.17 -0.12 -1.58 -1.11 0.00 0.00 175.55 172.91 2wr4 s HIS 354 N -1.42 1.18 -0.02 2.71 2.46 -0.17 -1.29 115.29 118.74 2wr4 s HIS 354 Ca 0.05 -0.29 0.03 0.00 0.47 0.00 0.00 55.06 55.32 2wr4 s HIS 354 Cb -0.09 -0.81 0.00 0.00 -0.13 0.00 0.00 32.58 31.55 2wr4 s HIS 354 CO 0.04 -0.09 -0.09 -3.38 -2.47 0.00 0.00 174.74 168.74 2wr4 s HIS 355 N 0.03 0.88 -0.19 3.88 -3.43 -1.07 0.20 115.29 115.59 2wr4 s HIS 355 Ca -0.01 -0.20 -0.19 0.00 -0.80 0.00 0.00 55.06 53.86 2wr4 s HIS 355 Cb -0.08 -0.61 -0.03 0.00 -1.43 0.00 0.00 32.58 30.42 2wr4 s HIS 355 CO 0.01 -0.07 0.54 -1.12 -2.00 0.00 0.00 174.74 172.10 2wr4 s SER 356 N 0.07 6.61 0.28 7.38 0.01 -0.55 -4.43 113.70 123.07 2wr4 s SER 356 Ca -0.01 0.73 0.03 0.00 1.31 0.00 0.00 55.95 58.01 2wr4 s SER 356 Cb -0.07 -2.31 -0.01 0.00 0.21 0.00 0.00 66.02 63.85 2wr4 s SER 356 CO 0.00 -0.19 0.31 -3.20 0.41 0.00 0.00 173.24 170.58 2wr4 n ASN 357 N 4.75 -0.84 0.00 2.44 5.15 -1.26 0.29 115.26 125.78 2wr4 n ASN 357 Ca -0.04 -2.71 -0.05 0.00 -0.60 0.00 0.00 54.58 51.17 2wr4 n ASN 357 Cb 0.50 1.73 -0.12 0.00 -0.53 0.00 0.00 39.78 41.37 2wr4 n ASN 357 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 2wr4 h ASP 358 N 1.68 0.00 0.00 1.20 3.32 -1.97 -3.47 116.42 117.18 2wr4 h ASP 358 Ca -0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.84 2wr4 h ASP 358 Cb 1.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.55 2wr4 h ASP 358 CO 0.30 0.84 0.00 0.00 -1.72 0.00 0.00 179.24 178.66 2wr4 n GLN 359 N -2.99 1.50 -0.45 3.56 3.00 -1.26 -5.07 117.38 115.66 2wr4 n GLN 359 Ca -0.14 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.57 2wr4 n GLN 359 Cb 0.97 0.00 0.27 0.00 0.00 0.00 0.00 30.24 31.48 2wr4 n GLN 359 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 2wr4 s GLY 360 N 0.00 1.52 0.00 1.08 0.00 -1.26 -5.06 107.32 103.60 2wr4 s GLY 360 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.50 2wr4 s GLY 360 CO 0.00 0.56 0.00 -1.14 0.00 0.00 0.00 173.10 172.52 2wr4 n SER 361 N -5.13 0.00 0.00 1.64 3.41 -1.26 -4.33 113.62 107.95 2wr4 n SER 361 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 2wr4 n SER 361 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 2wr4 n SER 361 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wr4 n GLY 362 N 0.00 -1.30 3.49 5.00 0.00 -1.26 -4.99 105.19 106.13 2wr4 n GLY 362 Ca 0.00 0.58 -0.37 0.00 0.00 0.00 0.00 46.02 46.23 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 3.13 -0.10 1.61 4.12 -1.26 -2.60 117.35 122.25 2wr4 s TYR 363 Ca 0.00 -0.25 -0.01 0.00 0.02 0.00 0.00 57.07 56.83 2wr4 s TYR 363 Cb 0.00 -2.29 0.03 0.00 -1.52 0.00 0.00 41.96 38.18 2wr4 s TYR 363 CO 0.00 -0.30 -0.04 0.00 0.02 0.00 0.00 175.55 175.24 2wr4 s ALA 364 N 1.66 1.04 0.15 3.71 0.00 -0.42 -5.00 121.76 122.91 2wr4 s ALA 364 Ca 0.07 -0.37 -0.26 0.00 0.00 0.00 0.00 51.96 51.40 2wr4 s ALA 364 Cb -0.15 -0.85 -0.08 0.00 0.00 0.00 0.00 23.12 22.04 2wr4 s ALA 364 CO 0.06 -0.47 0.79 0.00 0.00 0.00 0.00 175.76 176.15 2wr4 s ALA 365 N 1.83 3.42 -0.85 0.00 0.00 -1.26 0.33 121.76 125.23 2wr4 s ALA 365 Ca 0.05 0.37 -0.24 0.00 0.00 0.00 0.00 51.96 52.13 2wr4 s ALA 365 Cb -0.13 -2.99 0.05 0.00 0.00 0.00 0.00 23.12 20.06 2wr4 s ALA 365 CO -0.07 0.24 1.30 0.34 0.00 0.00 0.00 175.76 177.58 2wr4 s ASP 366 N -0.93 6.33 0.30 0.00 3.68 0.23 -4.85 116.67 121.43 2wr4 s ASP 366 Ca 0.37 -1.01 0.01 0.00 2.13 0.00 0.00 52.55 54.05 2wr4 s ASP 366 Cb -0.23 -2.54 0.47 0.00 -1.45 0.00 0.00 42.92 39.18 2wr4 s ASP 366 CO 0.26 -1.62 1.84 0.07 0.13 0.00 0.00 175.17 175.85 2wr4 h LYS 367 N 9.81 0.71 -0.09 4.34 5.09 -1.91 -0.45 116.57 134.07 2wr4 h LYS 367 Ca -0.06 -0.15 -0.01 0.00 0.09 0.00 0.00 60.65 60.52 2wr4 h LYS 367 Cb 1.03 -0.10 -0.00 0.00 0.10 0.00 0.00 32.23 33.26 2wr4 h LYS 367 CO 1.32 0.68 0.01 1.49 -2.09 0.00 0.00 179.45 180.86 2wr4 h GLU 368 N 0.68 0.15 -0.33 0.07 4.22 -1.97 -1.04 114.58 116.36 2wr4 h GLU 368 Ca 0.15 -0.04 -0.10 0.00 0.08 0.00 0.00 59.36 59.45 2wr4 h GLU 368 Cb 0.32 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2wr4 h GLU 368 CO 0.01 0.36 -0.19 1.03 -2.18 0.00 0.00 179.01 178.04 2wr4 h SER 369 N -0.09 0.73 -0.78 1.04 0.87 -1.91 -2.95 113.55 110.46 2wr4 h SER 369 Ca 0.03 -0.42 -0.00 0.00 -1.23 0.00 0.00 61.79 60.17 2wr4 h SER 369 Cb 0.29 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.01 2wr4 h SER 369 CO 0.00 0.99 0.49 0.74 -0.53 0.00 0.00 176.83 178.52 2wr4 h THR 370 N 0.47 1.21 -0.47 2.23 2.02 -1.05 -2.75 112.91 114.57 2wr4 h THR 370 Ca 0.07 -0.44 -0.13 0.00 0.77 0.00 0.00 66.41 66.67 2wr4 h THR 370 Cb 0.73 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2wr4 h THR 370 CO 0.05 0.22 -0.23 -0.61 0.37 0.00 0.00 175.52 175.32 2wr4 h GLN 371 N 1.07 0.98 -0.87 6.66 5.75 -1.16 0.02 115.11 127.57 2wr4 h GLN 371 Ca 0.28 -0.43 0.09 0.00 -0.15 0.00 0.00 58.65 58.44 2wr4 h GLN 371 Cb -0.07 -0.03 -0.06 0.00 1.07 0.00 0.00 27.48 28.39 2wr4 h GLN 371 CO -0.06 1.10 0.56 -0.22 -2.65 0.00 0.00 178.83 177.56 2wr4 h LYS 372 N 0.84 0.86 0.08 1.69 3.64 -1.32 -1.45 116.57 120.91 2wr4 h LYS 372 Ca 0.11 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.25 2wr4 h LYS 372 Cb 0.81 -0.19 0.02 0.00 -0.41 0.00 0.00 32.23 32.45 2wr4 h LYS 372 CO 0.07 0.57 -0.78 0.00 -2.27 0.00 0.00 179.45 177.03 2wr4 h ALA 373 N 1.56 -0.01 -0.49 5.00 0.00 -1.25 -2.54 119.26 121.53 2wr4 h ALA 373 Ca 0.39 -0.65 0.05 0.00 0.00 0.00 0.00 54.91 54.71 2wr4 h ALA 373 Cb 0.36 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 2wr4 h ALA 373 CO -0.16 0.41 0.21 0.27 0.00 0.00 0.00 179.25 179.98 2wr4 h PHE 374 N -0.16 0.39 -0.75 0.00 -0.00 -0.77 -1.13 116.94 114.52 2wr4 h PHE 374 Ca -0.12 0.02 -0.02 0.00 -0.00 0.00 0.00 57.97 57.86 2wr4 h PHE 374 Cb 1.54 -0.10 -0.04 0.00 -0.00 0.00 0.00 35.95 37.35 2wr4 h PHE 374 CO 0.16 0.17 0.41 -0.44 -0.00 0.00 0.00 178.31 178.61 2wr4 h ASP 375 N 0.42 0.94 -0.15 -0.68 3.32 -1.32 -1.21 116.42 117.74 2wr4 h ASP 375 Ca 0.22 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 2wr4 h ASP 375 Cb 0.18 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 2wr4 h ASP 375 CO -0.19 0.77 -0.05 1.23 -1.72 0.00 0.00 179.24 179.27 2wr4 h GLY 376 N 1.04 0.32 1.78 2.75 0.00 -0.97 -0.49 103.07 107.50 2wr4 h GLY 376 Ca 0.26 -0.28 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 2wr4 h GLY 376 CO -0.04 0.25 -0.52 -2.22 0.00 0.00 0.00 176.54 174.01 2wr4 h ILE 377 N -0.02 1.35 -0.12 2.60 5.03 -1.20 -0.58 117.51 124.57 2wr4 h ILE 377 Ca 0.04 -1.78 0.02 0.00 -0.12 0.00 0.00 64.86 63.01 2wr4 h ILE 377 Cb 0.50 1.86 -0.02 0.00 -3.03 0.00 0.00 36.82 36.14 2wr4 h ILE 377 CO 0.02 0.53 0.02 0.74 -0.68 0.00 0.00 178.15 178.77 2wr4 h THR 378 N 0.19 0.94 -0.75 -0.27 2.02 -1.15 -0.49 112.91 113.40 2wr4 h THR 378 Ca 0.01 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 2wr4 h THR 378 Cb 0.98 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 68.22 2wr4 h THR 378 CO 0.08 0.01 0.47 0.78 0.37 0.00 0.00 175.52 177.23 2wr4 h ASN 379 N 0.07 0.89 0.20 4.18 2.35 -0.74 -1.26 115.58 121.27 2wr4 h ASN 379 Ca 0.06 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2wr4 h ASN 379 Cb 0.05 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.20 2wr4 h ASN 379 CO -0.08 0.67 -0.10 0.50 -1.65 0.00 0.00 177.43 176.77 2wr4 h LYS 380 N 1.03 -0.26 -0.18 0.81 3.64 -0.45 0.14 116.57 121.29 2wr4 h LYS 380 Ca 0.27 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.70 2wr4 h LYS 380 Cb -0.06 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 2wr4 h LYS 380 CO -0.05 -0.12 0.02 0.28 -2.27 0.00 0.00 179.45 177.30 2wr4 h VAL 381 N -0.34 0.90 -0.71 2.00 2.07 -1.02 -2.23 116.25 116.93 2wr4 h VAL 381 Ca -0.03 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.52 2wr4 h VAL 381 Cb 0.26 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 2wr4 h VAL 381 CO 0.05 0.02 0.47 0.78 0.02 0.00 0.00 177.57 178.90 2wr4 h ASN 382 N 0.09 0.67 -0.31 0.57 2.35 -1.08 -1.98 115.58 115.89 2wr4 h ASN 382 Ca 0.08 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 2wr4 h ASN 382 Cb 0.09 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 2wr4 h ASN 382 CO -0.12 0.44 0.07 0.28 -1.65 0.00 0.00 177.43 176.45 2wr4 h SER 383 N 0.77 0.47 -0.62 5.81 0.02 -0.22 0.55 113.55 120.32 2wr4 h SER 383 Ca 0.30 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2wr4 h SER 383 Cb 0.20 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 2wr4 h SER 383 CO -0.09 0.58 0.38 0.58 -1.14 0.00 0.00 176.83 177.13 2wr4 h VAL 384 N 0.33 1.18 0.04 2.27 2.07 -0.93 -2.87 116.25 118.34 2wr4 h VAL 384 Ca 0.10 -0.40 -0.21 0.00 0.82 0.00 0.00 66.70 67.01 2wr4 h VAL 384 Cb 0.30 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 2wr4 h VAL 384 CO 0.00 0.19 -1.10 0.40 0.02 0.00 0.00 177.57 177.08 2wr4 h ILE 385 N 0.87 1.09 0.00 4.57 2.04 -1.08 -3.39 117.51 121.62 2wr4 h ILE 385 Ca 0.23 -2.28 0.00 0.00 1.00 0.00 0.00 64.86 63.81 2wr4 h ILE 385 Cb -0.03 2.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 2wr4 h ILE 385 CO -0.04 0.50 0.00 0.00 0.00 0.00 0.00 178.15 178.61 2wr4 n ALA 386 N -3.13 2.04 1.17 1.87 0.00 0.19 -2.63 120.51 120.02 2wr4 n ALA 386 Ca -0.26 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.23 2wr4 n ALA 386 Cb 0.72 -1.37 0.35 0.00 0.00 0.00 0.00 19.45 19.14 2wr4 n ALA 386 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wr4 n LYS 387 N -1.55 0.53 -2.78 0.00 4.76 -1.09 -4.86 118.16 113.18 2wr4 n LYS 387 Ca 0.05 -0.31 -0.42 0.00 -2.87 0.00 0.00 58.31 54.77 2wr4 n LYS 387 Cb 0.27 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.94 2wr4 n LYS 387 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 2wr4 s MET 388 N -2.68 4.38 -0.30 1.97 1.75 -1.08 -5.02 119.30 118.32 2wr4 s MET 388 Ca 0.20 1.23 -0.18 0.00 -1.25 0.00 0.00 55.69 55.69 2wr4 s MET 388 Cb 0.19 -3.55 -0.02 0.00 2.84 0.00 0.00 34.83 34.30 2wr4 s MET 388 CO 0.58 -0.29 0.52 1.21 -0.65 0.00 0.00 175.02 176.39 2wr4 s ASN 389 N 1.10 6.38 -0.41 1.11 3.04 -1.26 -5.04 114.94 119.85 2wr4 s ASN 389 Ca 0.44 0.26 -0.02 0.00 0.04 0.00 0.00 52.86 53.59 2wr4 s ASN 389 Cb -0.18 -2.28 0.11 0.00 -1.54 0.00 0.00 41.25 37.37 2wr4 s ASN 389 CO 0.16 -0.39 0.19 0.42 -3.04 0.00 0.00 177.10 174.45 2wr4 s THR 390 N 2.37 3.14 0.46 -5.21 -4.23 -1.26 -5.05 115.64 105.86 2wr4 s THR 390 Ca 0.20 -2.17 0.06 0.00 -1.18 0.00 0.00 61.69 58.60 2wr4 s THR 390 Cb -0.15 -3.17 0.02 0.00 1.34 0.00 0.00 72.50 70.53 2wr4 s THR 390 CO 0.11 -0.69 0.63 0.00 -0.54 0.00 0.00 174.62 174.13 2wr4 s GLN 391 N 1.02 2.74 -0.07 3.99 -2.07 -1.26 -4.81 119.66 119.19 2wr4 s GLN 391 Ca 0.09 -1.13 -0.30 0.00 -1.82 0.00 0.00 55.36 52.21 2wr4 s GLN 391 Cb -0.22 -2.69 -0.03 0.00 -1.09 0.00 0.00 33.01 28.99 2wr4 s GLN 391 CO -0.05 -0.40 1.14 0.12 -1.32 0.00 0.00 175.29 174.78 2wr4 s PHE 392 N -2.46 3.30 0.18 9.60 5.36 -1.26 -4.30 117.98 128.41 2wr4 s PHE 392 Ca 0.56 1.34 -0.03 0.00 -0.96 0.00 0.00 56.93 57.84 2wr4 s PHE 392 Cb -0.10 -3.34 -0.03 0.00 -0.34 0.00 0.00 43.02 39.20 2wr4 s PHE 392 CO 0.35 -0.95 0.17 -1.21 -1.46 0.00 0.00 175.22 172.11 2wr4 s GLU 393 N 2.12 1.17 -0.06 10.12 8.01 -0.53 -4.95 118.70 134.58 2wr4 s GLU 393 Ca 0.53 -1.50 0.07 0.00 0.01 0.00 0.00 54.97 54.09 2wr4 s GLU 393 Cb -0.23 0.30 -0.11 0.00 -4.31 0.00 0.00 34.13 29.78 2wr4 s GLU 393 CO 0.21 -0.39 0.06 0.00 0.01 0.00 0.00 175.26 175.15 2wr4 n ALA 394 N -0.23 1.91 -0.19 5.21 0.00 -1.26 -1.36 120.51 124.59 2wr4 n ALA 394 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.97 2wr4 n ALA 394 Cb 0.65 -0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 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 -2.19 0.00 -1.65 0.00 0.31 -1.25 -4.35 118.33 109.20 2wr4 n VAL 395 Ca -0.11 0.00 -0.47 0.00 -0.01 0.00 0.00 64.34 63.75 2wr4 n VAL 395 Cb 0.65 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.53 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 0.96 3.28 2.92 0.00 -1.26 -4.99 105.19 106.10 2wr4 n GLY 396 Ca 0.00 0.66 -0.15 0.00 0.00 0.00 0.00 46.02 46.53 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 0.77 1.19 0.00 1.61 -0.14 -1.26 -4.65 119.74 117.26 2wr4 s LYS 397 Ca 0.80 -1.58 0.05 0.00 -1.36 0.00 0.00 55.97 53.88 2wr4 s LYS 397 Cb -0.74 -0.46 -0.02 0.00 -1.68 0.00 0.00 37.83 34.93 2wr4 s LYS 397 CO 0.40 -0.08 -0.17 -1.21 -0.76 0.00 0.00 175.35 173.53 2wr4 s GLU 398 N -3.87 1.31 -0.07 1.68 2.02 -1.26 -5.11 118.70 113.40 2wr4 s GLU 398 Ca 0.25 -0.67 -0.04 0.00 0.02 0.00 0.00 54.97 54.52 2wr4 s GLU 398 Cb 0.05 -1.30 0.04 0.00 0.10 0.00 0.00 34.13 33.02 2wr4 s GLU 398 CO 0.05 0.35 0.16 -0.06 0.02 0.00 0.00 175.26 175.78 2wr4 s PHE 399 N -0.52 -0.19 1.19 1.61 0.08 -1.26 -4.95 117.98 113.94 2wr4 s PHE 399 Ca 0.06 0.52 -0.14 0.00 0.12 0.00 0.00 56.93 57.49 2wr4 s PHE 399 Cb -0.07 -0.04 0.29 0.00 -0.57 0.00 0.00 43.02 42.63 2wr4 s PHE 399 CO -0.00 -0.16 1.02 -1.54 -0.10 0.00 0.00 175.22 174.44 2wr4 s SER 400 N 0.99 0.84 0.00 1.36 1.04 -1.26 -4.88 113.70 111.79 2wr4 s SER 400 Ca -0.08 1.30 0.10 0.00 0.48 0.00 0.00 55.95 57.76 2wr4 s SER 400 Cb -0.09 -2.01 0.45 0.00 0.10 0.00 0.00 66.02 64.46 2wr4 s SER 400 CO -0.05 -4.25 1.31 -0.46 0.98 0.00 0.00 173.24 170.76 2wr4 n ASN 401 N -4.93 0.59 -1.16 7.02 6.94 -1.26 -2.22 115.26 120.22 2wr4 n ASN 401 Ca 0.05 -1.81 0.03 0.00 -0.02 0.00 0.00 54.58 52.82 2wr4 n ASN 401 Cb 0.56 -0.06 0.25 0.00 -2.36 0.00 0.00 39.78 38.17 2wr4 n ASN 401 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2wr4 n LEU 402 N -0.27 4.36 -1.32 -4.53 4.77 -1.26 -4.39 117.00 114.36 2wr4 n LEU 402 Ca 0.08 -3.25 0.00 0.00 -0.03 0.00 0.00 56.01 52.81 2wr4 n LEU 402 Cb 0.12 -0.61 0.11 0.00 -2.33 0.00 0.00 43.42 40.71 2wr4 n LEU 402 CO 0.06 0.85 0.20 -0.62 -1.33 0.00 0.00 177.39 176.55 2wr4 n GLU 403 N -0.62 1.39 -0.35 3.23 1.02 -0.94 -4.85 120.64 119.52 2wr4 n GLU 403 Ca 0.28 -3.04 0.10 0.00 -0.02 0.00 0.00 57.16 54.48 2wr4 n GLU 403 Cb 1.02 -1.20 0.29 0.00 -0.02 0.00 0.00 31.44 31.53 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 1.34 0.85 -0.09 3.49 -0.00 -1.77 -0.20 114.38 118.00 2wr4 h ARG 404 Ca -0.03 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.98 59.37 2wr4 h ARG 404 Cb 1.39 -0.19 -0.00 0.00 0.00 0.00 0.00 29.97 31.17 2wr4 h ARG 404 CO 0.16 0.56 -0.05 0.00 0.00 0.00 0.00 179.97 180.64 2wr4 h ARG 405 N 0.88 0.20 -0.59 0.04 3.08 -1.96 -0.71 114.38 115.30 2wr4 h ARG 405 Ca 0.53 -0.09 0.08 0.00 0.07 0.00 0.00 59.98 60.57 2wr4 h ARG 405 Cb 0.68 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.66 2wr4 h ARG 405 CO -0.31 0.57 0.25 1.25 -1.07 0.00 0.00 179.97 180.67 2wr4 h LEU 406 N -0.18 0.30 -0.56 3.04 5.85 -1.86 0.13 115.31 122.03 2wr4 h LEU 406 Ca 0.02 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.81 2wr4 h LEU 406 Cb 0.52 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 2wr4 h LEU 406 CO 0.01 0.19 0.37 -0.08 -0.34 0.00 0.00 178.44 178.60 2wr4 h GLU 407 N 0.47 0.74 0.00 1.25 4.81 -0.91 -0.75 114.58 120.18 2wr4 h GLU 407 Ca 0.29 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.41 2wr4 h GLU 407 Cb 0.30 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2wr4 h GLU 407 CO -0.26 0.49 -0.32 -0.97 -0.73 0.00 0.00 179.01 177.23 2wr4 h ASN 408 N 0.76 0.00 -0.34 1.04 -0.73 -0.51 -0.55 115.58 115.26 2wr4 h ASN 408 Ca 0.21 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.34 2wr4 h ASN 408 Cb -0.09 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.49 2wr4 h ASN 408 CO -0.04 0.32 0.06 0.25 -0.37 0.00 0.00 177.43 177.65 2wr4 h LEU 409 N 0.00 0.53 -0.82 0.34 6.46 -0.12 0.11 115.31 121.80 2wr4 h LEU 409 Ca -0.00 -0.25 -0.05 0.00 -0.12 0.00 0.00 57.88 57.46 2wr4 h LEU 409 Cb 0.58 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.33 2wr4 h LEU 409 CO 0.04 0.65 0.30 -1.13 -0.62 0.00 0.00 178.44 177.68 2wr4 h ASN 410 N 0.39 1.09 -0.42 1.25 -0.73 -0.40 -1.43 115.58 115.33 2wr4 h ASN 410 Ca 0.10 -0.17 -0.08 0.00 1.87 0.00 0.00 56.30 58.03 2wr4 h ASN 410 Cb 0.34 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.63 2wr4 h ASN 410 CO 0.01 0.97 -0.03 0.50 -0.37 0.00 0.00 177.43 178.50 2wr4 h LYS 411 N 1.14 0.77 -0.92 6.67 3.64 -1.01 0.20 116.57 127.05 2wr4 h LYS 411 Ca 0.26 -0.26 0.09 0.00 -1.27 0.00 0.00 60.65 59.46 2wr4 h LYS 411 Cb 0.23 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 31.91 2wr4 h LYS 411 CO -0.02 0.86 0.57 -0.22 -2.27 0.00 0.00 179.45 178.37 2wr4 h LYS 412 N 0.60 0.95 -0.01 1.90 1.63 -0.46 0.34 116.57 121.52 2wr4 h LYS 412 Ca 0.12 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.86 2wr4 h LYS 412 Cb 0.54 -0.21 -0.00 0.00 -0.60 0.00 0.00 32.23 31.95 2wr4 h LYS 412 CO 0.03 0.63 -0.01 1.98 -3.45 0.00 0.00 179.45 178.63 2wr4 h MET 413 N 0.98 0.02 -0.61 1.90 4.05 -1.03 -2.03 114.93 118.20 2wr4 h MET 413 Ca 0.42 -0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.85 2wr4 h MET 413 Cb 0.30 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.07 2wr4 h MET 413 CO -0.22 0.51 0.39 0.93 0.23 0.00 0.00 176.91 178.75 2wr4 h GLU 414 N -0.47 0.76 -0.83 0.39 4.39 -0.66 -2.16 114.58 116.00 2wr4 h GLU 414 Ca 0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2wr4 h GLU 414 Cb 0.51 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.94 2wr4 h GLU 414 CO 0.00 0.51 0.52 -0.44 -1.16 0.00 0.00 179.01 178.44 2wr4 h ASP 415 N 0.79 0.98 -0.32 1.42 3.32 -0.99 -1.45 116.42 120.17 2wr4 h ASP 415 Ca 0.24 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2wr4 h ASP 415 Cb -0.04 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 2wr4 h ASP 415 CO -0.07 0.74 0.21 1.23 -1.72 0.00 0.00 179.24 179.62 2wr4 h GLY 416 N 1.14 0.45 1.31 2.75 0.00 -0.74 0.10 103.07 108.08 2wr4 h GLY 416 Ca 0.30 -0.17 -0.08 0.00 0.00 0.00 0.00 47.33 47.38 2wr4 h GLY 416 CO -0.06 0.17 -0.01 0.74 0.00 0.00 0.00 176.54 177.37 2wr4 h PHE 417 N 0.43 0.89 -0.43 5.60 -1.00 -1.35 -2.28 116.94 118.81 2wr4 h PHE 417 Ca 0.12 -0.13 0.05 0.00 2.81 0.00 0.00 57.97 60.81 2wr4 h PHE 417 Cb -0.04 -0.24 -0.05 0.00 3.61 0.00 0.00 35.95 39.23 2wr4 h PHE 417 CO -0.05 0.82 0.16 1.25 -1.61 0.00 0.00 178.31 178.88 2wr4 h LEU 418 N 0.77 0.18 -0.13 1.54 5.85 -0.42 -0.34 115.31 122.76 2wr4 h LEU 418 Ca 0.15 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 2wr4 h LEU 418 Cb 0.49 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 2wr4 h LEU 418 CO 0.02 0.14 0.06 0.44 -0.34 0.00 0.00 178.44 178.77 2wr4 h ASP 419 N 0.34 0.18 0.21 1.25 3.32 -0.65 -2.20 116.42 118.86 2wr4 h ASP 419 Ca 0.20 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.13 2wr4 h ASP 419 Cb 0.18 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 2wr4 h ASP 419 CO -0.19 0.25 -0.23 0.58 -1.72 0.00 0.00 179.24 177.93 2wr4 h VAL 420 N 0.09 0.50 -0.72 -1.35 2.07 -1.20 -1.63 116.25 114.01 2wr4 h VAL 420 Ca 0.05 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 2wr4 h VAL 420 Cb 0.13 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 2wr4 h VAL 420 CO -0.01 0.00 0.31 -0.50 0.02 0.00 0.00 177.57 177.39 2wr4 h TRP 421 N -0.48 1.09 0.67 1.57 4.06 -1.08 -1.03 115.95 120.75 2wr4 h TRP 421 Ca 0.00 -0.07 -0.03 0.00 2.06 0.00 0.00 58.89 60.85 2wr4 h TRP 421 Cb 0.45 -0.33 0.00 0.00 -1.00 0.00 0.00 29.16 28.29 2wr4 h TRP 421 CO -0.17 0.83 -0.36 1.15 -3.56 0.00 0.00 178.44 176.33 2wr4 h THR 422 N 1.03 0.27 0.04 1.49 2.02 -1.30 -0.93 112.91 115.53 2wr4 h THR 422 Ca 0.24 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.45 2wr4 h THR 422 Cb 0.19 0.27 -0.05 0.00 -1.74 0.00 0.00 68.15 66.82 2wr4 h THR 422 CO -0.02 0.00 -0.32 0.22 0.37 0.00 0.00 175.52 175.77 2wr4 h TYR 423 N -0.95 -0.87 -0.72 3.16 3.20 -1.21 0.63 116.97 120.21 2wr4 h TYR 423 Ca -0.09 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.86 2wr4 h TYR 423 Cb 0.74 0.38 -0.04 0.00 1.54 0.00 0.00 36.73 39.35 2wr4 h TYR 423 CO -0.05 -0.41 0.47 -0.91 -1.64 0.00 0.00 178.16 175.61 2wr4 h ASN 424 N -0.49 0.71 -0.07 -2.11 4.21 -1.17 -0.52 115.58 116.14 2wr4 h ASN 424 Ca 0.05 -0.00 -0.17 0.00 1.21 0.00 0.00 56.30 57.39 2wr4 h ASN 424 Cb 0.56 -0.16 0.01 0.00 -1.12 0.00 0.00 38.32 37.61 2wr4 h ASN 424 CO -0.24 0.47 -0.60 0.00 -1.29 0.00 0.00 177.43 175.77 2wr4 h ALA 425 N 1.60 0.16 -0.25 -0.83 0.00 -0.67 -0.02 119.26 119.24 2wr4 h ALA 425 Ca 0.30 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2wr4 h ALA 425 Cb 0.16 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2wr4 h ALA 425 CO -0.09 0.42 0.14 0.93 0.00 0.00 0.00 179.25 180.65 2wr4 h GLU 426 N 0.11 0.35 -0.23 0.00 4.39 -0.51 -1.30 114.58 117.40 2wr4 h GLU 426 Ca -0.06 -0.04 -0.13 0.00 0.34 0.00 0.00 59.36 59.48 2wr4 h GLU 426 Cb 1.27 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 2wr4 h GLU 426 CO 0.12 0.31 -0.39 -0.07 -1.16 0.00 0.00 179.01 177.82 2wr4 h LEU 427 N 0.30 0.54 0.30 1.33 4.07 -1.17 -2.49 115.31 118.19 2wr4 h LEU 427 Ca 0.09 -0.23 0.00 0.00 0.08 0.00 0.00 57.88 57.82 2wr4 h LEU 427 Cb 0.06 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.62 2wr4 h LEU 427 CO -0.01 0.88 -0.30 0.25 -1.08 0.00 0.00 178.44 178.17 2wr4 h LEU 428 N 0.43 -0.82 -0.71 1.67 5.85 -0.72 -0.38 115.31 120.64 2wr4 h LEU 428 Ca 0.04 0.07 0.12 0.00 0.84 0.00 0.00 57.88 58.95 2wr4 h LEU 428 Cb 0.87 0.28 -0.08 0.00 0.37 0.00 0.00 40.66 42.10 2wr4 h LEU 428 CO 0.07 -0.43 0.29 0.58 -0.34 0.00 0.00 178.44 178.61 2wr4 h VAL 429 N -0.64 0.72 -0.26 1.05 2.07 -1.20 -0.72 116.25 117.27 2wr4 h VAL 429 Ca -0.01 -0.16 -0.11 0.00 0.82 0.00 0.00 66.70 67.23 2wr4 h VAL 429 Cb 0.58 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2wr4 h VAL 429 CO -0.06 0.09 -0.28 -0.07 0.02 0.00 0.00 177.57 177.26 2wr4 h LEU 430 N 0.47 0.70 -0.68 2.57 3.38 -1.24 -1.33 115.31 119.18 2wr4 h LEU 430 Ca 0.37 -0.48 -0.13 0.00 0.09 0.00 0.00 57.88 57.73 2wr4 h LEU 430 Cb 0.51 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2wr4 h LEU 430 CO -0.35 1.03 -0.42 0.24 0.09 0.00 0.00 178.44 179.03 2wr4 h MET 431 N 0.37 0.54 0.00 1.13 2.86 -0.81 -2.37 114.93 116.66 2wr4 h MET 431 Ca 0.04 -0.28 -0.07 0.00 -2.06 0.00 0.00 59.70 57.33 2wr4 h MET 431 Cb 0.84 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.50 2wr4 h MET 431 CO 0.07 0.86 -0.37 0.93 1.06 0.00 0.00 176.91 179.46 2wr4 h GLU 432 N 0.45 0.00 -0.22 1.72 4.39 -1.12 -2.88 114.58 116.91 2wr4 h GLU 432 Ca 0.04 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.57 2wr4 h GLU 432 Cb 0.92 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 2wr4 h GLU 432 CO 0.08 0.33 -0.52 -0.91 -1.16 0.00 0.00 179.01 176.83 2wr4 h ASN 433 N 0.00 0.84 -0.14 1.42 2.35 -1.15 0.15 115.58 119.05 2wr4 h ASN 433 Ca -0.01 -0.56 -0.00 0.00 -0.55 0.00 0.00 56.30 55.18 2wr4 h ASN 433 Cb 1.26 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.38 2wr4 h ASN 433 CO 0.04 1.25 0.08 -0.08 -1.65 0.00 0.00 177.43 177.08 2wr4 h GLU 434 N 0.48 0.19 0.00 0.81 4.81 -1.41 -2.13 114.58 117.33 2wr4 h GLU 434 Ca -0.00 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.08 2wr4 h GLU 434 Cb 1.13 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 2wr4 h GLU 434 CO 0.11 0.14 -1.18 0.00 -0.73 0.00 0.00 179.01 177.35 2wr4 h ARG 435 N 0.20 0.00 -0.22 1.92 3.08 -1.34 -2.95 114.38 115.07 2wr4 h ARG 435 Ca 0.05 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.00 2wr4 h ARG 435 Cb -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 2wr4 h ARG 435 CO -0.01 0.30 -0.28 1.15 -1.07 0.00 0.00 179.97 180.06 2wr4 h THR 436 N 0.00 1.32 -0.28 2.04 2.02 -0.56 -1.45 112.91 116.01 2wr4 h THR 436 Ca -0.11 -1.47 -0.02 0.00 0.77 0.00 0.00 66.41 65.57 2wr4 h THR 436 Cb 1.48 1.76 -0.01 0.00 -1.74 0.00 0.00 68.15 69.64 2wr4 h THR 436 CO 0.04 0.46 0.10 -0.07 0.37 0.00 0.00 175.52 176.43 2wr4 h LEU 437 N 0.27 0.39 -1.66 2.58 3.38 -1.50 -2.34 115.31 116.42 2wr4 h LEU 437 Ca 0.03 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2wr4 h LEU 437 Cb 0.85 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2wr4 h LEU 437 CO 0.07 0.46 0.03 0.44 0.09 0.00 0.00 178.44 179.53 2wr4 h ASP 438 N 0.30 0.21 0.05 -0.43 3.32 -1.52 -1.19 116.42 117.16 2wr4 h ASP 438 Ca 0.09 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 2wr4 h ASP 438 Cb 0.20 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2wr4 h ASP 438 CO -0.01 0.24 -0.03 0.15 -1.72 0.00 0.00 179.24 177.87 2wr4 h PHE 439 N 0.24 -0.07 -0.35 4.55 3.57 -0.86 0.22 116.94 124.24 2wr4 h PHE 439 Ca 0.06 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.59 2wr4 h PHE 439 Cb 0.12 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 2wr4 h PHE 439 CO 0.00 0.15 0.15 0.45 -2.23 0.00 0.00 178.31 176.83 2wr4 h HIS 440 N -0.28 0.28 -0.92 0.41 3.86 -1.09 -1.60 115.15 115.82 2wr4 h HIS 440 Ca -0.01 0.02 0.11 0.00 -1.16 0.00 0.00 60.37 59.33 2wr4 h HIS 440 Cb 0.24 -0.07 -0.07 0.00 1.06 0.00 0.00 27.41 28.57 2wr4 h HIS 440 CO -0.01 0.14 0.59 0.22 0.86 0.00 0.00 177.93 179.73 2wr4 h ASP 441 N 0.32 0.81 -0.19 2.45 -0.00 -0.92 -1.42 116.42 117.47 2wr4 h ASP 441 Ca 0.15 0.03 -0.13 0.00 -0.00 0.00 0.00 57.03 57.08 2wr4 h ASP 441 Cb 0.09 -0.14 -0.01 0.00 -0.00 0.00 0.00 39.33 39.27 2wr4 h ASP 441 CO -0.12 0.46 -0.35 -1.28 -0.00 0.00 0.00 179.24 177.94 2wr4 h SER 442 N 0.88 0.74 0.35 2.28 0.87 0.09 -2.22 113.55 116.55 2wr4 h SER 442 Ca 0.44 -0.32 -0.12 0.00 -1.23 0.00 0.00 61.79 60.56 2wr4 h SER 442 Cb 0.47 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 2wr4 h SER 442 CO -0.20 1.02 -0.50 0.78 -0.53 0.00 0.00 176.83 177.41 2wr4 h ASN 443 N 0.59 0.19 -0.02 6.23 2.35 -0.35 -0.52 115.58 124.05 2wr4 h ASN 443 Ca 0.06 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 2wr4 h ASN 443 Cb 0.88 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.20 2wr4 h ASN 443 CO 0.08 0.66 -0.09 0.58 -1.65 0.00 0.00 177.43 177.01 2wr4 h VAL 444 N 0.14 1.51 -0.79 2.81 2.07 -1.29 -1.71 116.25 118.99 2wr4 h VAL 444 Ca 0.00 -1.63 0.09 0.00 0.82 0.00 0.00 66.70 65.99 2wr4 h VAL 444 Cb 0.93 2.55 -0.05 0.00 -1.52 0.00 0.00 31.29 33.19 2wr4 h VAL 444 CO 0.07 0.43 0.52 0.50 0.02 0.00 0.00 177.57 179.11 2wr4 h LYS 445 N -0.54 0.72 -0.00 1.57 1.63 -1.28 -0.46 116.57 118.21 2wr4 h LYS 445 Ca -0.01 -0.04 -0.17 0.00 -0.85 0.00 0.00 60.65 59.58 2wr4 h LYS 445 Cb 0.75 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 32.20 2wr4 h LYS 445 CO 0.02 0.48 -0.81 -0.91 -3.45 0.00 0.00 179.45 174.78 2wr4 h ASN 446 N 0.75 0.08 -0.28 4.20 2.35 -1.10 -1.98 115.58 119.59 2wr4 h ASN 446 Ca 0.36 -0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.99 2wr4 h ASN 446 Cb 0.41 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 2wr4 h ASN 446 CO -0.14 0.85 -0.07 0.25 -1.65 0.00 0.00 177.43 176.68 2wr4 h LEU 447 N 0.03 0.55 -0.06 1.61 5.85 -0.27 -1.67 115.31 121.35 2wr4 h LEU 447 Ca -0.02 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.34 2wr4 h LEU 447 Cb 1.42 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 2wr4 h LEU 447 CO 0.11 0.79 -0.00 0.22 -0.34 0.00 0.00 178.44 179.22 2wr4 h TYR 448 N 0.30 -0.01 0.00 1.25 3.20 -1.12 -2.46 116.97 118.14 2wr4 h TYR 448 Ca 0.07 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 2wr4 h TYR 448 Cb 0.55 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.83 2wr4 h TYR 448 CO 0.05 -0.01 -0.14 -0.44 -1.64 0.00 0.00 178.16 175.99 2wr4 h ASP 449 N 0.02 0.00 0.62 -2.11 5.19 -1.33 -0.81 116.42 118.00 2wr4 h ASP 449 Ca 0.03 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.32 2wr4 h ASP 449 Cb 0.03 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.53 2wr4 h ASP 449 CO -0.05 0.14 -0.56 0.50 -3.12 0.00 0.00 179.24 176.14 2wr4 h LYS 450 N 0.00 0.00 0.15 3.56 3.64 -0.83 -1.26 116.57 121.83 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 0.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2wr4 h LYS 450 CO 0.02 0.56 -1.67 0.28 -2.27 0.00 0.00 179.45 176.37 2wr4 h VAL 451 N 0.00 0.92 -0.18 2.00 2.07 -1.21 -3.32 116.25 116.53 2wr4 h VAL 451 Ca -0.01 -2.44 0.04 0.00 0.82 0.00 0.00 66.70 65.11 2wr4 h VAL 451 Cb 1.02 2.70 -0.04 0.00 -1.52 0.00 0.00 31.29 33.46 2wr4 h VAL 451 CO 0.07 0.81 -0.05 -0.09 0.02 0.00 0.00 177.57 178.33 2wr4 h ARG 452 N -0.05 -0.01 0.00 1.57 2.43 -1.05 -1.20 114.38 116.07 2wr4 h ARG 452 Ca -0.34 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 2wr4 h ARG 452 Cb 1.97 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.52 2wr4 h ARG 452 CO 0.12 -0.01 0.00 -1.33 -1.51 0.00 0.00 179.97 177.24 2wr4 n MET 453 N -5.19 0.49 -0.03 0.20 2.81 -0.49 -2.08 117.12 112.83 2wr4 n MET 453 Ca -0.03 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 2wr4 n MET 453 Cb 0.12 -1.35 -0.08 0.00 -0.71 0.00 0.00 33.22 31.21 2wr4 n MET 453 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2wr4 n GLN 454 N -0.85 1.41 -0.05 0.03 7.27 -0.53 -4.68 117.38 119.98 2wr4 n GLN 454 Ca 0.08 -0.05 -0.02 0.00 0.07 0.00 0.00 57.00 57.09 2wr4 n GLN 454 Cb 0.04 -1.24 -0.13 0.00 2.41 0.00 0.00 30.24 31.32 2wr4 n GLN 454 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2wr4 n LEU 455 N -2.11 0.00 0.00 1.69 4.77 -0.75 -4.69 117.00 115.92 2wr4 n LEU 455 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2wr4 n LEU 455 Cb 0.55 0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.87 2wr4 n LEU 455 CO 0.21 0.24 0.00 0.54 -1.33 0.00 0.00 177.39 177.05 2wr4 n ARG 456 N -2.39 0.00 0.23 3.23 1.74 -0.88 -0.53 116.66 118.06 2wr4 n ARG 456 Ca -0.17 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.03 2wr4 n ARG 456 Cb 0.79 0.00 0.41 0.00 -1.02 0.00 0.00 32.46 32.64 2wr4 n ARG 456 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2wr4 h ASP 457 N 0.00 0.00 0.10 0.55 3.45 -1.95 -3.19 116.42 115.38 2wr4 h ASP 457 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2wr4 h ASP 457 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 2wr4 h ASP 457 CO 0.00 0.15 0.00 0.59 -1.57 0.00 0.00 179.24 178.41 2wr4 n ASN 458 N -3.23 0.12 -3.96 6.45 4.13 0.31 -4.74 115.26 114.35 2wr4 n ASN 458 Ca 0.01 0.55 -0.09 0.00 1.68 0.00 0.00 54.58 56.73 2wr4 n ASN 458 Cb 0.45 -0.57 -0.08 0.00 -1.54 0.00 0.00 39.78 38.05 2wr4 n ASN 458 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2wr4 s VAL 459 N -3.11 0.10 -0.09 2.41 -7.23 -1.21 0.17 120.40 111.45 2wr4 s VAL 459 Ca 0.01 -1.40 -0.02 0.00 -1.81 0.00 0.00 61.98 58.75 2wr4 s VAL 459 Cb 0.03 -1.69 -0.03 0.00 0.56 0.00 0.00 36.38 35.24 2wr4 s VAL 459 CO 0.09 -0.46 0.00 -0.75 -0.31 0.00 0.00 175.10 173.66 2wr4 s LYS 460 N -3.94 3.01 -0.67 4.82 2.20 0.91 -4.81 119.74 121.26 2wr4 s LYS 460 Ca 0.14 -0.40 -0.26 0.00 -0.36 0.00 0.00 55.97 55.08 2wr4 s LYS 460 Cb 0.05 -2.80 0.04 0.00 -1.51 0.00 0.00 37.83 33.60 2wr4 s LYS 460 CO -0.04 0.69 1.15 -1.21 -0.36 0.00 0.00 175.35 175.58 2wr4 s GLU 461 N -0.85 3.24 -0.01 4.03 2.02 -1.26 -0.52 118.70 125.35 2wr4 s GLU 461 Ca 0.13 -0.30 -0.03 0.00 0.02 0.00 0.00 54.97 54.79 2wr4 s GLU 461 Cb -0.11 -4.15 -0.01 0.00 0.10 0.00 0.00 34.13 29.95 2wr4 s GLU 461 CO 0.02 -1.91 0.44 -0.07 0.02 0.00 0.00 175.26 173.76 2wr4 h LEU 462 N 12.17 -0.08 0.00 1.80 -0.00 -1.64 -3.49 115.31 124.07 2wr4 h LEU 462 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.61 2wr4 h LEU 462 Cb 1.06 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.74 2wr4 h LEU 462 CO 1.22 -0.00 0.00 0.61 -0.00 0.00 0.00 178.44 180.26 2wr4 n GLY 463 N 0.74 -1.48 1.94 0.83 0.00 -1.26 -4.99 105.19 100.98 2wr4 n GLY 463 Ca -0.01 0.54 -0.01 0.00 0.00 0.00 0.00 46.02 46.54 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 1.66 -1.84 1.61 6.94 -1.25 -4.44 115.26 117.94 2wr4 n ASN 464 Ca 0.00 -1.51 -0.15 0.00 -0.02 0.00 0.00 54.58 52.90 2wr4 n ASN 464 Cb 0.00 -0.37 0.00 0.00 -2.36 0.00 0.00 39.78 37.05 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 2.04 -0.24 3.35 4.83 0.00 -1.25 -4.73 105.19 109.20 2wr4 n GLY 465 Ca 0.03 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.55 3.12 -0.37 0.00 0.40 -0.22 -1.48 117.98 118.88 2wr4 s PHE 467 Ca 0.08 0.16 -0.14 0.00 -0.60 0.00 0.00 56.93 56.42 2wr4 s PHE 467 Cb -0.11 -1.78 -0.00 0.00 0.51 0.00 0.00 43.02 41.64 2wr4 s PHE 467 CO 0.00 0.44 0.28 -2.00 0.70 0.00 0.00 175.22 174.65 2wr4 s GLU 468 N -0.85 3.29 -0.01 0.44 2.12 0.32 -2.39 118.70 121.62 2wr4 s GLU 468 Ca 0.13 -0.76 -0.30 0.00 0.36 0.00 0.00 54.97 54.40 2wr4 s GLU 468 Cb -0.11 -3.88 -0.06 0.00 0.26 0.00 0.00 34.13 30.34 2wr4 s GLU 468 CO 0.02 -0.58 1.54 -0.06 -0.54 0.00 0.00 175.26 175.64 2wr4 s PHE 469 N 1.76 2.46 -0.25 5.30 0.40 -1.26 -0.07 117.98 126.32 2wr4 s PHE 469 Ca 0.07 0.50 -0.06 0.00 -0.60 0.00 0.00 56.93 56.84 2wr4 s PHE 469 Cb -0.18 -3.81 -0.17 0.00 0.51 0.00 0.00 43.02 39.36 2wr4 s PHE 469 CO 0.11 -3.22 3.36 0.66 0.70 0.00 0.00 175.22 176.82 2wr4 n TYR 470 N 6.06 0.59 0.00 0.36 0.53 0.46 -4.84 117.16 120.32 2wr4 n TYR 470 Ca 0.15 -1.75 0.00 0.00 -1.02 0.00 0.00 57.90 55.29 2wr4 n TYR 470 Cb 0.43 -1.62 0.00 0.00 -1.03 0.00 0.00 39.34 37.11 2wr4 n TYR 470 CO 0.00 0.00 0.00 -2.39 -1.02 0.00 0.00 176.86 173.45 2wr4 n HIS 471 N 2.20 0.00 -1.76 -0.72 1.44 -1.26 -4.75 115.22 110.37 2wr4 n HIS 471 Ca 0.47 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.76 2wr4 n HIS 471 Cb 0.77 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.85 2wr4 n HIS 471 CO 0.00 0.00 0.00 -1.59 -2.81 0.00 0.00 176.34 171.94 2wr4 s LYS 472 N -2.00 4.15 -0.53 -1.40 0.00 -1.26 -4.95 119.74 113.75 2wr4 s LYS 472 Ca 0.00 2.54 0.04 0.00 0.00 0.00 0.00 55.97 58.54 2wr4 s LYS 472 Cb 0.00 -3.67 0.15 0.00 0.00 0.00 0.00 37.83 34.31 2wr4 s LYS 472 CO 0.00 -0.84 0.35 0.00 0.00 0.00 0.00 175.35 174.86 2wr4 s ASP 474 N -0.38 1.44 0.61 0.00 -4.77 -1.26 -4.60 116.67 107.71 2wr4 s ASP 474 Ca 0.23 1.17 0.28 0.00 -3.30 0.00 0.00 52.55 50.93 2wr4 s ASP 474 Cb -0.12 -1.80 1.39 0.00 -1.09 0.00 0.00 42.92 41.31 2wr4 s ASP 474 CO -0.10 -3.86 1.80 0.44 0.70 0.00 0.00 175.17 174.15 2wr4 h ASP 475 N -2.40 0.00 0.80 2.11 5.19 -1.99 0.79 116.42 120.92 2wr4 h ASP 475 Ca -0.55 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 55.61 2wr4 h ASP 475 Cb 1.33 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.81 2wr4 h ASP 475 CO 0.50 0.00 -1.24 -0.33 -3.12 0.00 0.00 179.24 175.05 2wr4 h GLU 476 N 0.00 0.04 -0.43 3.56 4.39 -2.01 -3.24 114.58 116.90 2wr4 h GLU 476 Ca 0.20 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.77 2wr4 h GLU 476 Cb 1.32 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.98 2wr4 h GLU 476 CO -0.00 0.91 0.06 0.00 -1.16 0.00 0.00 179.01 178.81 2wr4 h MET 478 N 0.58 -0.19 0.00 0.00 2.86 -1.54 0.11 114.93 116.75 2wr4 h MET 478 Ca 0.13 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2wr4 h MET 478 Cb 0.40 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.10 2wr4 h MET 478 CO 0.01 -0.13 0.00 0.09 1.06 0.00 0.00 176.91 177.94 2wr4 n ASN 479 N -5.42 0.00 0.03 1.22 4.13 -1.19 -0.44 115.26 113.59 2wr4 n ASN 479 Ca 0.02 0.31 -0.03 0.00 1.68 0.00 0.00 54.58 56.56 2wr4 n ASN 479 Cb 0.33 -0.32 -0.09 0.00 -1.54 0.00 0.00 39.78 38.16 2wr4 n ASN 479 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 2wr4 h SER 480 N 0.00 0.00 0.10 6.41 4.64 -0.82 -3.16 113.55 120.72 2wr4 h SER 480 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2wr4 h SER 480 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2wr4 h SER 480 CO 0.00 0.74 -0.05 0.58 -0.87 0.00 0.00 176.83 177.23 2wr4 h VAL 481 N 0.00 0.49 -0.49 0.95 2.07 -0.67 0.14 116.25 118.75 2wr4 h VAL 481 Ca -0.18 -1.19 0.06 0.00 0.82 0.00 0.00 66.70 66.21 2wr4 h VAL 481 Cb 1.72 0.88 -0.09 0.00 -1.52 0.00 0.00 31.29 32.28 2wr4 h VAL 481 CO 0.06 0.15 -0.54 0.11 0.02 0.00 0.00 177.57 177.38 2wr4 h LYS 482 N -1.00 -0.32 -0.96 1.57 1.57 -1.54 -0.47 116.57 115.42 2wr4 h LYS 482 Ca -0.01 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2wr4 h LYS 482 Cb 0.35 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 2wr4 h LYS 482 CO 0.02 -0.22 0.01 0.27 -0.57 0.00 0.00 179.45 178.97 2wr4 n ASN 483 N -5.37 1.70 -3.77 0.86 6.94 -1.20 -4.90 115.26 109.52 2wr4 n ASN 483 Ca -0.02 -2.11 -0.25 0.00 -0.02 0.00 0.00 54.58 52.18 2wr4 n ASN 483 Cb 0.34 -0.52 0.03 0.00 -2.36 0.00 0.00 39.78 37.27 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 0.10 -0.37 2.45 4.83 0.00 -0.19 -4.95 105.19 107.06 2wr4 n GLY 484 Ca 0.03 0.16 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 2wr4 n GLY 484 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wr4 n THR 485 N -4.45 -0.78 -3.96 2.61 -2.24 0.48 -5.04 114.28 100.90 2wr4 n THR 485 Ca -0.16 -2.90 -0.28 0.00 -2.27 0.00 0.00 64.05 58.43 2wr4 n THR 485 Cb 0.62 -0.93 -0.17 0.00 -2.10 0.00 0.00 70.33 67.75 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 0.02 1.84 -0.28 4.78 5.04 -1.09 -4.61 117.35 123.06 2wr4 s TYR 486 Ca 0.33 -1.01 -0.23 0.00 -2.44 0.00 0.00 57.07 53.72 2wr4 s TYR 486 Cb 0.07 -1.42 -0.01 0.00 0.35 0.00 0.00 41.96 40.96 2wr4 s TYR 486 CO -0.16 -0.60 0.74 0.16 -1.34 0.00 0.00 175.55 174.36 2wr4 s ASP 487 N 1.59 6.66 0.14 4.32 3.84 -1.26 -4.92 116.67 127.04 2wr4 s ASP 487 Ca 0.05 0.72 -0.08 0.00 -0.00 0.00 0.00 52.55 53.24 2wr4 s ASP 487 Cb -0.13 -2.39 -0.04 0.00 -1.38 0.00 0.00 42.92 38.98 2wr4 s ASP 487 CO -0.09 -0.52 1.40 0.22 -0.00 0.00 0.00 175.17 176.18 2wr4 h TYR 488 N 7.98 0.92 -0.93 2.11 3.20 -1.97 -3.26 116.97 125.02 2wr4 h TYR 488 Ca -0.25 -0.36 0.15 0.00 3.14 0.00 0.00 58.73 61.41 2wr4 h TYR 488 Cb 1.10 -0.16 -0.15 0.00 1.54 0.00 0.00 36.73 39.06 2wr4 h TYR 488 CO 0.76 1.16 -0.35 -2.30 -1.64 0.00 0.00 178.16 175.80 2wr4 n PRO 489 N -3.95 -0.21 0.02 1.82 -0.02 -1.26 -2.68 135.00 128.73 2wr4 n PRO 489 Ca -0.05 1.44 -0.02 0.00 -2.02 0.00 0.00 63.50 62.85 2wr4 n PRO 489 Cb 0.67 -2.14 -0.01 0.00 -0.02 0.00 0.00 33.50 32.01 2wr4 n PRO 489 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2wr4 h LYS 490 N 0.00 -0.09 -2.02 -0.52 3.64 -1.98 -3.25 116.57 112.35 2wr4 h LYS 490 Ca 0.34 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.68 2wr4 h LYS 490 Cb 0.57 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 2wr4 h LYS 490 CO -0.93 -0.06 -0.08 0.66 -2.27 0.00 0.00 179.45 176.77 2wr4 n TYR 491 N -2.73 0.00 -1.38 1.91 4.01 -1.09 -4.72 117.16 113.16 2wr4 n TYR 491 Ca -0.01 -1.04 -0.42 0.00 -0.16 0.00 0.00 57.90 56.27 2wr4 n TYR 491 Cb 0.05 -0.73 -0.03 0.00 -0.31 0.00 0.00 39.34 38.32 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 1.78 2.17 -4.71 -0.72 -0.58 -1.23 -4.87 120.64 112.48 2wr4 n GLU 492 Ca 0.10 -2.16 -0.29 0.00 -0.42 0.00 0.00 57.16 54.39 2wr4 n GLU 492 Cb 0.56 -3.05 -0.14 0.00 -0.57 0.00 0.00 31.44 28.23 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 4.08 1.61 -0.19 3.49 2.02 -1.26 -5.13 118.70 123.32 2wr4 s GLU 493 Ca 0.53 -1.15 0.01 0.00 0.02 0.00 0.00 54.97 54.38 2wr4 s GLU 493 Cb 0.14 -1.86 0.04 0.00 0.10 0.00 0.00 34.13 32.55 2wr4 s GLU 493 CO 0.02 0.47 -0.09 -1.21 0.02 0.00 0.00 175.26 174.46 2wr4 s GLU 494 N -1.46 1.92 -0.33 1.61 2.02 -1.26 -4.93 118.70 116.27 2wr4 s GLU 494 Ca 0.11 -0.77 0.07 0.00 0.02 0.00 0.00 54.97 54.40 2wr4 s GLU 494 Cb -0.10 -2.33 0.51 0.00 0.10 0.00 0.00 34.13 32.31 2wr4 s GLU 494 CO 0.03 -0.42 1.50 0.43 0.02 0.00 0.00 175.26 176.82 2wr4 n SER 495 N 4.72 3.07 0.00 -0.19 7.64 -1.26 -5.19 113.62 122.41 2wr4 n SER 495 Ca -0.14 -3.79 0.00 0.00 1.01 0.00 0.00 58.87 55.95 2wr4 n SER 495 Cb 0.47 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 2wr4 n SER 495 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32