#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wr5 s ILE 7 N 0.00 1.62 0.01 1.69 -1.16 -0.87 -1.27 121.20 121.21 2wr5 s ILE 7 Ca 0.00 -0.85 0.04 0.00 -0.51 0.00 0.00 60.65 59.32 2wr5 s ILE 7 Cb 0.00 -1.36 -0.01 0.00 0.61 0.00 0.00 42.46 41.70 2wr5 s ILE 7 CO 0.00 0.46 -0.11 0.00 -2.81 0.00 0.00 174.94 172.48 2wr5 s ILE 9 N -0.46 4.82 0.35 0.00 -1.09 -0.81 0.07 121.20 124.09 2wr5 s ILE 9 Ca 0.03 -0.40 0.03 0.00 -2.23 0.00 0.00 60.65 58.08 2wr5 s ILE 9 Cb -0.05 -3.49 -0.01 0.00 -1.58 0.00 0.00 42.46 37.33 2wr5 s ILE 9 CO 0.00 0.01 0.11 0.61 -1.23 0.00 0.00 174.94 174.44 2wr5 n GLY 10 N 5.02 3.42 3.12 6.18 0.00 -0.31 -4.84 105.19 117.79 2wr5 n GLY 10 Ca -0.13 -2.12 -0.08 0.00 0.00 0.00 0.00 46.02 43.69 2wr5 n GLY 10 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wr5 s TYR 11 N -2.78 0.67 0.46 1.61 1.13 -1.26 -1.45 117.35 115.73 2wr5 s TYR 11 Ca 0.15 -1.10 -0.22 0.00 -1.41 0.00 0.00 57.07 54.49 2wr5 s TYR 11 Cb 0.01 -0.44 -0.08 0.00 -1.10 0.00 0.00 41.96 40.35 2wr5 s TYR 11 CO 0.11 -0.39 1.11 -1.58 -2.51 0.00 0.00 175.55 172.28 2wr5 s HIS 12 N -3.92 2.96 0.04 -3.49 5.65 0.87 -0.58 115.29 116.82 2wr5 s HIS 12 Ca 0.13 1.57 -0.02 0.00 0.25 0.00 0.00 55.06 56.99 2wr5 s HIS 12 Cb 0.08 -3.25 -0.03 0.00 -1.18 0.00 0.00 32.58 28.19 2wr5 s HIS 12 CO -0.06 -1.19 0.01 0.00 -0.65 0.00 0.00 174.74 172.85 2wr5 s ALA 13 N -1.67 0.26 0.00 1.58 0.00 -1.07 -4.64 121.76 116.22 2wr5 s ALA 13 Ca 0.64 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.71 2wr5 s ALA 13 Cb -0.24 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.13 2wr5 s ALA 13 CO 0.29 -0.32 0.00 0.27 0.00 0.00 0.00 175.76 176.01 2wr5 n ASN 14 N 0.59 0.00 -2.46 0.00 0.23 -1.26 -4.46 115.26 107.89 2wr5 n ASN 14 Ca -0.17 -0.86 -0.36 0.00 -0.53 0.00 0.00 54.58 52.66 2wr5 n ASN 14 Cb 0.59 0.00 0.07 0.00 -2.08 0.00 0.00 39.78 38.36 2wr5 n ASN 14 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2wr5 n ASN 15 N -1.83 7.65 -4.82 0.53 0.23 -1.26 -4.98 115.26 110.78 2wr5 n ASN 15 Ca 0.00 -3.80 -0.38 0.00 -0.53 0.00 0.00 54.58 49.87 2wr5 n ASN 15 Cb 0.00 -0.99 -0.06 0.00 -2.08 0.00 0.00 39.78 36.65 2wr5 n ASN 15 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2wr5 s SER 16 N -1.68 6.96 0.00 0.53 0.15 -1.26 -4.95 113.70 113.44 2wr5 s SER 16 Ca 0.62 1.15 0.03 0.00 0.70 0.00 0.00 55.95 58.45 2wr5 s SER 16 Cb 0.49 -2.32 0.07 0.00 -1.71 0.00 0.00 66.02 62.55 2wr5 s SER 16 CO -0.10 0.26 1.03 0.35 1.20 0.00 0.00 173.24 175.98 2wr5 n THR 17 N 1.57 0.95 -1.80 6.45 -2.24 -1.26 -4.86 114.28 113.09 2wr5 n THR 17 Ca -0.10 -0.97 -0.42 0.00 -2.27 0.00 0.00 64.05 60.28 2wr5 n THR 17 Cb 0.51 0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 69.24 2wr5 n THR 17 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2wr5 s GLU 18 N -0.96 4.16 0.02 -0.78 2.56 -1.26 -4.92 118.70 117.52 2wr5 s GLU 18 Ca 0.05 2.48 0.04 0.00 0.00 0.00 0.00 54.97 57.55 2wr5 s GLU 18 Cb 0.03 -3.65 -0.03 0.00 2.00 0.00 0.00 34.13 32.47 2wr5 s GLU 18 CO 0.04 -0.81 -0.08 0.15 -0.56 0.00 0.00 175.26 173.99 2wr5 s LYS 19 N 2.87 2.46 0.09 4.30 -0.14 -1.26 -0.67 119.74 127.39 2wr5 s LYS 19 Ca 0.79 -0.78 -0.00 0.00 -1.36 0.00 0.00 55.97 54.62 2wr5 s LYS 19 Cb -0.43 -2.45 -0.04 0.00 -1.68 0.00 0.00 37.83 33.23 2wr5 s LYS 19 CO 0.35 0.59 -0.02 0.14 -0.76 0.00 0.00 175.35 175.65 2wr5 s VAL 20 N -1.01 0.36 0.11 3.17 -7.23 -0.12 -4.91 120.40 110.77 2wr5 s VAL 20 Ca 0.17 -1.88 0.05 0.00 -1.81 0.00 0.00 61.98 58.51 2wr5 s VAL 20 Cb -0.11 -1.73 -0.04 0.00 0.56 0.00 0.00 36.38 35.06 2wr5 s VAL 20 CO 0.08 -0.80 0.03 -1.81 -0.31 0.00 0.00 175.10 172.29 2wr5 s ASP 21 N -3.00 5.15 0.40 4.85 1.01 -1.26 -0.43 116.67 123.38 2wr5 s ASP 21 Ca 0.14 -0.17 0.04 0.00 0.71 0.00 0.00 52.55 53.27 2wr5 s ASP 21 Cb 0.07 -1.26 -0.03 0.00 1.01 0.00 0.00 42.92 42.72 2wr5 s ASP 21 CO -0.05 0.15 0.15 0.42 0.21 0.00 0.00 175.17 176.05 2wr5 s THR 22 N -1.43 0.52 0.34 -1.27 -4.23 -0.32 -4.62 115.64 104.63 2wr5 s THR 22 Ca 0.27 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.81 2wr5 s THR 22 Cb -0.11 -2.37 0.28 0.00 1.34 0.00 0.00 72.50 71.63 2wr5 s THR 22 CO 0.20 0.00 1.98 0.40 -0.54 0.00 0.00 174.62 176.65 2wr5 h ILE 23 N 1.84 1.11 0.00 2.99 1.08 -1.86 -3.30 117.51 119.37 2wr5 h ILE 23 Ca -0.34 -0.30 -0.21 0.00 -0.39 0.00 0.00 64.86 63.62 2wr5 h ILE 23 Cb 1.27 0.16 -0.04 0.00 -3.07 0.00 0.00 36.82 35.14 2wr5 h ILE 23 CO 0.54 0.16 -2.14 0.18 -0.69 0.00 0.00 178.15 176.20 2wr5 n LEU 24 N -4.45 0.00 -4.19 1.44 4.77 -1.26 -5.01 117.00 108.30 2wr5 n LEU 24 Ca 0.09 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.93 2wr5 n LEU 24 Cb 0.12 0.28 -0.11 0.00 -2.33 0.00 0.00 43.42 41.39 2wr5 n LEU 24 CO 0.35 0.28 -0.41 -1.61 -1.33 0.00 0.00 177.39 174.67 2wr5 s GLU 25 N -2.82 0.88 0.28 3.23 2.02 -1.24 -5.16 118.70 115.89 2wr5 s GLU 25 Ca -0.08 -1.23 0.11 0.00 0.02 0.00 0.00 54.97 53.78 2wr5 s GLU 25 Cb 0.08 -0.49 -0.05 0.00 0.10 0.00 0.00 34.13 33.77 2wr5 s GLU 25 CO 0.79 0.06 -0.15 1.03 0.02 0.00 0.00 175.26 177.02 2wr5 s ARG 26 N -3.12 1.82 -1.23 1.61 1.81 -1.26 -1.17 118.95 117.40 2wr5 s ARG 26 Ca 0.08 -1.71 -0.28 0.00 -1.72 0.00 0.00 55.73 52.11 2wr5 s ARG 26 Cb -0.01 -1.85 0.03 0.00 -0.45 0.00 0.00 34.95 32.67 2wr5 s ARG 26 CO -0.01 0.32 0.64 0.09 -0.68 0.00 0.00 175.30 175.67 2wr5 n ASN 27 N -0.69 -3.83 -4.51 0.23 3.02 -1.22 -4.92 115.26 103.34 2wr5 n ASN 27 Ca -0.05 -1.23 -0.41 0.00 -0.03 0.00 0.00 54.58 52.86 2wr5 n ASN 27 Cb 0.60 -2.11 -0.10 0.00 -0.61 0.00 0.00 39.78 37.56 2wr5 n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wr5 s VAL 28 N -3.60 5.27 0.25 2.41 1.01 0.43 -4.85 120.40 121.32 2wr5 s VAL 28 Ca 0.43 -0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 2wr5 s VAL 28 Cb -0.22 -3.79 -0.10 0.00 0.00 0.00 0.00 36.38 32.27 2wr5 s VAL 28 CO 0.95 -0.11 1.47 -0.89 0.00 0.00 0.00 175.10 176.52 2wr5 s THR 29 N 1.74 2.54 0.17 3.92 2.01 -1.26 -0.95 115.64 123.81 2wr5 s THR 29 Ca 0.06 0.45 0.07 0.00 0.31 0.00 0.00 61.69 62.59 2wr5 s THR 29 Cb -0.18 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 2wr5 s THR 29 CO 0.11 0.07 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.27 2wr5 s VAL 30 N 0.03 1.61 0.01 3.82 1.01 0.15 -2.19 120.40 124.84 2wr5 s VAL 30 Ca 0.60 -2.00 -0.23 0.00 0.00 0.00 0.00 61.98 60.36 2wr5 s VAL 30 Cb -0.43 -1.85 -0.13 0.00 0.00 0.00 0.00 36.38 33.98 2wr5 s VAL 30 CO 0.44 -0.49 1.01 0.74 0.00 0.00 0.00 175.10 176.80 2wr5 h THR 31 N 3.01 0.00 -3.85 3.92 2.02 -1.21 -3.40 112.91 113.40 2wr5 h THR 31 Ca -0.40 -0.30 -0.48 0.00 0.77 0.00 0.00 66.41 66.00 2wr5 h THR 31 Cb 1.21 0.00 -0.21 0.00 -1.74 0.00 0.00 68.15 67.41 2wr5 h THR 31 CO 0.56 0.00 -0.80 -1.00 0.37 0.00 0.00 175.52 174.65 2wr5 s HIS 32 N -4.31 1.52 0.11 3.16 0.09 -1.26 -4.81 115.29 109.80 2wr5 s HIS 32 Ca -0.12 -0.46 -0.05 0.00 -0.00 0.00 0.00 55.06 54.43 2wr5 s HIS 32 Cb 0.01 -0.83 -0.02 0.00 -0.00 0.00 0.00 32.58 31.74 2wr5 s HIS 32 CO 0.36 0.15 0.13 0.00 -0.00 0.00 0.00 174.74 175.39 2wr5 s ALA 33 N -1.39 0.25 -0.06 -1.40 0.00 -1.26 -0.58 121.76 117.32 2wr5 s ALA 33 Ca 0.04 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.99 2wr5 s ALA 33 Cb -0.09 0.62 0.02 0.00 0.00 0.00 0.00 23.12 23.68 2wr5 s ALA 33 CO 0.03 -0.51 -0.03 0.21 0.00 0.00 0.00 175.76 175.46 2wr5 s LYS 34 N -3.95 0.83 0.08 0.00 2.20 0.53 -4.89 119.74 114.55 2wr5 s LYS 34 Ca 0.13 -0.05 -0.30 0.00 -0.36 0.00 0.00 55.97 55.39 2wr5 s LYS 34 Cb 0.06 -0.96 -0.05 0.00 -1.51 0.00 0.00 37.83 35.37 2wr5 s LYS 34 CO -0.05 -0.17 1.02 0.34 -0.36 0.00 0.00 175.35 176.13 2wr5 s ASP 35 N 1.34 7.37 -0.19 1.43 -1.08 -1.26 -0.81 116.67 123.46 2wr5 s ASP 35 Ca -0.04 1.83 0.13 0.00 -0.52 0.00 0.00 52.55 53.95 2wr5 s ASP 35 Cb -0.13 -2.58 0.39 0.00 -1.46 0.00 0.00 42.92 39.13 2wr5 s ASP 35 CO -0.02 -0.20 1.21 2.30 0.52 0.00 0.00 175.17 178.97 2wr5 n ILE 36 N 3.19 2.13 -4.10 4.11 -5.35 -0.30 -4.95 119.36 114.10 2wr5 n ILE 36 Ca 0.04 -3.03 -0.30 0.00 -0.27 0.00 0.00 62.75 59.19 2wr5 n ILE 36 Cb 0.49 -0.23 -0.16 0.00 -1.74 0.00 0.00 39.64 37.99 2wr5 n ILE 36 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2wr5 s LEU 37 N -3.15 1.70 -0.18 7.28 2.96 -1.26 -3.32 118.68 122.72 2wr5 s LEU 37 Ca 0.37 -0.48 -0.21 0.00 -0.22 0.00 0.00 54.13 53.58 2wr5 s LEU 37 Cb 0.35 -1.18 -0.03 0.00 0.50 0.00 0.00 46.19 45.84 2wr5 s LEU 37 CO -0.05 -0.04 0.64 -0.70 -1.32 0.00 0.00 176.35 174.88 2wr5 s GLU 38 N 1.40 4.25 0.00 1.98 2.56 0.40 -4.93 118.70 124.36 2wr5 s GLU 38 Ca 0.03 0.66 0.00 0.00 0.00 0.00 0.00 54.97 55.66 2wr5 s GLU 38 Cb -0.13 -3.55 0.00 0.00 2.00 0.00 0.00 34.13 32.44 2wr5 s GLU 38 CO -0.09 -0.19 0.38 0.36 -0.56 0.00 0.00 175.26 175.16 2wr5 n LYS 39 N 4.83 -0.68 -4.48 4.30 2.85 -1.26 -2.43 118.16 121.28 2wr5 n LYS 39 Ca -0.01 -0.38 -0.33 0.00 -1.05 0.00 0.00 58.31 56.53 2wr5 n LYS 39 Cb 0.50 -0.87 -0.10 0.00 -0.65 0.00 0.00 35.03 33.91 2wr5 n LYS 39 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2wr5 s THR 40 N -0.01 3.84 0.52 0.58 -4.23 -1.26 -4.86 115.64 110.20 2wr5 s THR 40 Ca 0.00 -0.56 0.01 0.00 -1.18 0.00 0.00 61.69 59.95 2wr5 s THR 40 Cb 0.00 -2.63 -0.01 0.00 1.34 0.00 0.00 72.50 71.20 2wr5 s THR 40 CO 0.00 0.50 0.01 -1.38 -0.54 0.00 0.00 174.62 173.21 2wr5 s HIS 41 N -0.92 1.80 -2.21 3.99 -3.43 -1.26 -4.77 115.29 108.48 2wr5 s HIS 41 Ca 0.15 -1.00 0.23 0.00 -0.80 0.00 0.00 55.06 53.64 2wr5 s HIS 41 Cb -0.11 -1.57 0.54 0.00 -1.43 0.00 0.00 32.58 30.01 2wr5 s HIS 41 CO 0.05 0.18 1.47 0.27 -2.00 0.00 0.00 174.74 174.71 2wr5 n ASN 42 N -1.30 3.73 0.00 7.38 0.23 -0.99 -4.95 115.26 119.37 2wr5 n ASN 42 Ca -0.20 -2.00 0.00 0.00 -0.53 0.00 0.00 54.58 51.85 2wr5 n ASN 42 Cb 0.67 -0.38 0.00 0.00 -2.08 0.00 0.00 39.78 37.99 2wr5 n ASN 42 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wr5 n GLY 43 N 1.58 0.00 3.96 4.83 0.00 -1.26 -4.83 105.19 109.47 2wr5 n GLY 43 Ca 0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 2wr5 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wr5 s LYS 44 N -1.07 2.72 -0.30 1.61 1.02 -1.26 -4.66 119.74 117.80 2wr5 s LYS 44 Ca 0.00 -0.66 0.03 0.00 0.02 0.00 0.00 55.97 55.36 2wr5 s LYS 44 Cb 0.00 -2.51 0.08 0.00 -0.52 0.00 0.00 37.83 34.89 2wr5 s LYS 44 CO 0.00 -0.57 -0.02 -1.17 -0.92 0.00 0.00 175.35 172.67 2wr5 s LEU 45 N -4.70 4.08 0.00 3.17 0.20 -1.26 -2.42 118.68 117.75 2wr5 s LEU 45 Ca 0.54 -1.78 0.06 0.00 0.69 0.00 0.00 54.13 53.64 2wr5 s LEU 45 Cb -0.10 -1.57 0.06 0.00 -0.43 0.00 0.00 46.19 44.14 2wr5 s LEU 45 CO 0.38 -0.29 0.48 0.00 -0.29 0.00 0.00 176.35 176.63 2wr5 s ARG 47 N -3.94 3.86 -0.83 0.00 1.70 -1.26 -4.72 118.95 113.76 2wr5 s ARG 47 Ca 0.36 0.32 -0.18 0.00 -0.47 0.00 0.00 55.73 55.77 2wr5 s ARG 47 Cb -0.03 -3.07 0.15 0.00 -0.57 0.00 0.00 34.95 31.43 2wr5 s ARG 47 CO 0.23 0.59 0.94 -1.17 -1.08 0.00 0.00 175.30 174.82 2wr5 s LEU 48 N -1.61 5.56 -0.83 -1.89 2.96 0.03 -2.61 118.68 120.29 2wr5 s LEU 48 Ca 0.30 -2.06 -0.03 0.00 -0.22 0.00 0.00 54.13 52.13 2wr5 s LEU 48 Cb -0.15 -2.33 0.00 0.00 0.50 0.00 0.00 46.19 44.21 2wr5 s LEU 48 CO 0.17 -0.96 0.70 -1.20 -1.32 0.00 0.00 176.35 173.74 2wr5 n SER 49 N 5.85 -3.34 0.00 3.68 7.64 -1.00 -3.26 113.62 123.19 2wr5 n SER 49 Ca 0.14 -0.38 0.00 0.00 1.01 0.00 0.00 58.87 59.64 2wr5 n SER 49 Cb 0.47 -3.47 0.00 0.00 -1.01 0.00 0.00 64.21 60.20 2wr5 n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wr5 n GLY 50 N -1.27 1.26 3.13 0.23 0.00 -1.26 -5.02 105.19 102.25 2wr5 n GLY 50 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 2wr5 n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wr5 s ILE 51 N -2.67 2.01 0.99 -0.61 1.01 -1.20 -5.10 121.20 115.63 2wr5 s ILE 51 Ca 0.00 -0.93 -0.12 0.00 0.00 0.00 0.00 60.65 59.60 2wr5 s ILE 51 Cb 0.00 -1.81 0.18 0.00 0.01 0.00 0.00 42.46 40.85 2wr5 s ILE 51 CO 0.00 0.54 1.09 -2.84 0.00 0.00 0.00 174.94 173.73 2wr5 s PRO 52 N 1.13 0.48 0.26 2.79 0.02 -1.26 -0.79 135.00 137.63 2wr5 s PRO 52 Ca 0.01 0.53 -0.10 0.00 0.02 0.00 0.00 61.00 61.45 2wr5 s PRO 52 Cb -0.14 -1.74 -0.07 0.00 0.02 0.00 0.00 34.50 32.57 2wr5 s PRO 52 CO -0.09 -2.70 0.60 -1.25 -0.33 0.00 0.00 177.00 173.23 2wr5 s PRO 53 N -4.97 3.81 -0.23 5.54 0.05 -1.26 -0.63 135.00 137.31 2wr5 s PRO 53 Ca 0.65 0.32 -0.29 0.00 0.05 0.00 0.00 61.00 61.73 2wr5 s PRO 53 Cb -0.18 -2.59 -0.02 0.00 0.05 0.00 0.00 34.50 31.76 2wr5 s PRO 53 CO 0.57 0.25 1.52 -1.17 0.05 0.00 0.00 177.00 178.23 2wr5 s LEU 54 N -3.01 3.91 -0.28 -3.56 2.96 0.81 -4.88 118.68 114.64 2wr5 s LEU 54 Ca 0.48 1.53 -0.13 0.00 -0.22 0.00 0.00 54.13 55.79 2wr5 s LEU 54 Cb -0.11 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.01 2wr5 s LEU 54 CO 0.22 -1.19 0.30 -1.61 -1.32 0.00 0.00 176.35 172.75 2wr5 s GLU 55 N 4.48 3.95 0.00 1.98 2.02 -1.26 -1.22 118.70 128.65 2wr5 s GLU 55 Ca 0.67 -0.15 0.24 0.00 0.02 0.00 0.00 54.97 55.74 2wr5 s GLU 55 Cb -0.23 -3.67 0.13 0.00 0.10 0.00 0.00 34.13 30.46 2wr5 s GLU 55 CO 0.27 -0.26 1.20 1.28 0.02 0.00 0.00 175.26 177.78 2wr5 n LEU 56 N 5.22 2.60 0.00 1.80 4.77 -0.97 -4.94 117.00 125.48 2wr5 n LEU 56 Ca -0.11 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 54.98 2wr5 n LEU 56 Cb 0.51 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2wr5 n LEU 56 CO 0.36 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 2wr5 n GLY 57 N 1.37 3.51 2.43 -0.72 0.00 -1.26 -1.29 105.19 109.23 2wr5 n GLY 57 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 2wr5 n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wr5 n ASP 58 N 4.97 5.40 -4.99 1.61 5.75 -1.26 -4.38 116.55 123.64 2wr5 n ASP 58 Ca 0.00 -3.75 -0.18 0.00 -0.01 0.00 0.00 54.79 50.85 2wr5 n ASP 58 Cb 0.00 -0.56 0.01 0.00 -1.03 0.00 0.00 41.12 39.54 2wr5 n ASP 58 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wr5 s SER 60 N -4.36 4.63 0.23 0.00 1.04 -0.80 -4.74 113.70 109.70 2wr5 s SER 60 Ca 0.55 -0.67 -0.06 0.00 0.48 0.00 0.00 55.95 56.24 2wr5 s SER 60 Cb -0.08 -0.84 0.33 0.00 0.10 0.00 0.00 66.02 65.53 2wr5 s SER 60 CO 0.33 -0.09 1.80 0.40 0.98 0.00 0.00 173.24 176.66 2wr5 h ILE 61 N 1.76 0.91 -0.18 -1.02 5.03 -1.98 0.32 117.51 122.36 2wr5 h ILE 61 Ca -0.44 -0.25 0.05 0.00 -0.12 0.00 0.00 64.86 64.10 2wr5 h ILE 61 Cb 1.25 0.13 -0.05 0.00 -3.03 0.00 0.00 36.82 35.12 2wr5 h ILE 61 CO 0.61 0.13 -0.15 0.00 -0.68 0.00 0.00 178.15 178.06 2wr5 h ALA 62 N 1.42 -0.03 -0.96 1.87 0.00 -1.95 -0.24 119.26 119.37 2wr5 h ALA 62 Ca 0.36 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 2wr5 h ALA 62 Cb 0.31 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 2wr5 h ALA 62 CO -0.23 -0.59 0.59 0.78 0.00 0.00 0.00 179.25 179.80 2wr5 h GLY 63 N -0.17 1.38 0.69 0.00 0.00 -1.34 -1.71 103.07 101.93 2wr5 h GLY 63 Ca 0.11 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 2wr5 h GLY 63 CO -0.28 0.55 -0.01 -0.25 0.00 0.00 0.00 176.54 176.55 2wr5 h TRP 64 N 1.32 -0.02 -0.60 5.60 7.01 0.09 -1.54 115.95 127.80 2wr5 h TRP 64 Ca 0.35 -0.00 -0.09 0.00 2.11 0.00 0.00 58.89 61.26 2wr5 h TRP 64 Cb -0.08 0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 26.96 2wr5 h TRP 64 CO 0.00 0.29 0.04 -0.07 -2.79 0.00 0.00 178.44 175.91 2wr5 h LEU 65 N -0.34 0.99 -0.71 0.65 3.38 -0.96 -3.07 115.31 115.26 2wr5 h LEU 65 Ca -0.00 -0.26 -0.14 0.00 0.09 0.00 0.00 57.88 57.57 2wr5 h LEU 65 Cb 0.32 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2wr5 h LEU 65 CO 0.00 1.02 -0.63 -0.07 0.09 0.00 0.00 178.44 178.85 2wr5 h LEU 66 N 0.94 0.08 -0.29 1.67 3.38 -1.35 -3.45 115.31 116.29 2wr5 h LEU 66 Ca 0.18 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2wr5 h LEU 66 Cb 0.50 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2wr5 h LEU 66 CO 0.02 0.69 0.00 0.61 0.09 0.00 0.00 178.44 179.85 2wr5 n GLY 67 N 0.29 0.82 3.64 0.83 0.00 -0.90 -1.07 105.19 108.81 2wr5 n GLY 67 Ca -0.02 -0.13 -0.48 0.00 0.00 0.00 0.00 46.02 45.39 2wr5 n GLY 67 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wr5 n ASN 68 N 0.14 2.62 0.23 1.61 2.85 -0.63 0.91 115.26 122.99 2wr5 n ASN 68 Ca 0.00 1.09 0.13 0.00 -0.11 0.00 0.00 54.58 55.69 2wr5 n ASN 68 Cb 0.11 -1.34 0.67 0.00 1.24 0.00 0.00 39.78 40.46 2wr5 n ASN 68 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2wr5 h PRO 69 N 5.68 0.00 -0.13 1.20 0.11 -1.90 0.11 132.00 137.06 2wr5 h PRO 69 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2wr5 h PRO 69 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2wr5 h PRO 69 CO 0.86 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.04 2wr5 n GLU 70 N -2.48 1.57 -0.23 1.05 -0.58 -1.26 -3.49 120.64 115.22 2wr5 n GLU 70 Ca -0.02 -0.85 0.06 0.00 -0.42 0.00 0.00 57.16 55.93 2wr5 n GLU 70 Cb 0.21 -1.37 0.17 0.00 -0.57 0.00 0.00 31.44 29.88 2wr5 n GLU 70 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wr5 h ASP 72 N 1.30 0.89 -0.65 0.00 3.45 -1.68 -2.92 116.42 116.81 2wr5 h ASP 72 Ca 0.00 -0.23 -0.42 0.00 0.43 0.00 0.00 57.03 56.81 2wr5 h ASP 72 Cb 0.99 -0.24 -0.19 0.00 -0.56 0.00 0.00 39.33 39.34 2wr5 h ASP 72 CO 0.08 0.95 0.54 0.54 -1.57 0.00 0.00 179.24 179.78 2wr5 n ARG 73 N -4.19 2.03 0.08 3.56 1.74 -1.26 -4.63 116.66 113.99 2wr5 n ARG 73 Ca 0.03 -2.10 -0.08 0.00 -0.77 0.00 0.00 57.85 54.93 2wr5 n ARG 73 Cb 0.32 -1.82 -0.06 0.00 -1.02 0.00 0.00 32.46 29.89 2wr5 n ARG 73 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2wr5 h LEU 74 N 2.02 0.12 -1.81 0.55 3.38 -1.88 -3.50 115.31 114.19 2wr5 h LEU 74 Ca 0.40 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2wr5 h LEU 74 Cb 1.20 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2wr5 h LEU 74 CO 0.96 1.00 -0.74 -0.11 0.09 0.00 0.00 178.44 179.64 2wr5 n LEU 75 N -3.51 -5.50 -4.17 1.67 7.94 -1.26 -4.94 117.00 107.22 2wr5 n LEU 75 Ca -0.02 2.15 -0.33 0.00 -1.11 0.00 0.00 56.01 56.70 2wr5 n LEU 75 Cb 0.87 -2.70 -0.16 0.00 0.53 0.00 0.00 43.42 41.97 2wr5 n LEU 75 CO 0.47 -2.20 -0.54 -0.55 -1.11 0.00 0.00 177.39 173.46 2wr5 s SER 76 N -0.45 3.16 0.65 1.96 0.15 -1.26 -4.84 113.70 113.07 2wr5 s SER 76 Ca 0.00 -0.60 -0.09 0.00 0.70 0.00 0.00 55.95 55.96 2wr5 s SER 76 Cb 0.00 -1.46 0.01 0.00 -1.71 0.00 0.00 66.02 62.86 2wr5 s SER 76 CO 0.00 0.07 1.02 0.68 1.20 0.00 0.00 173.24 176.20 2wr5 s VAL 77 N 0.88 3.71 -1.66 4.45 -7.23 -1.26 -5.00 120.40 114.29 2wr5 s VAL 77 Ca -0.05 0.35 0.25 0.00 -1.81 0.00 0.00 61.98 60.72 2wr5 s VAL 77 Cb -0.15 -3.52 0.15 0.00 0.56 0.00 0.00 36.38 33.42 2wr5 s VAL 77 CO -0.03 -0.63 1.42 -0.81 -0.31 0.00 0.00 175.10 174.73 2wr5 n PRO 78 N -2.82 0.74 0.00 4.82 -0.05 -1.26 -4.81 135.00 131.62 2wr5 n PRO 78 Ca 0.06 -0.49 0.00 0.00 -0.05 0.00 0.00 63.50 63.02 2wr5 n PRO 78 Cb 0.57 -1.49 0.00 0.00 -0.05 0.00 0.00 33.50 32.53 2wr5 n PRO 78 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 175.50 173.54 2wr5 n GLU 79 N -0.70 0.00 -1.14 0.54 2.13 -1.26 -1.06 120.64 119.15 2wr5 n GLU 79 Ca 0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.92 2wr5 n GLU 79 Cb 0.37 -0.01 0.00 0.00 0.27 0.00 0.00 31.44 32.07 2wr5 n GLU 79 CO 0.00 0.00 0.00 -2.67 -0.41 0.00 0.00 177.13 174.05 2wr5 n TRP 80 N -2.46 -0.97 0.00 4.31 2.14 -1.26 -3.65 117.44 115.55 2wr5 n TRP 80 Ca 0.00 0.52 0.00 0.00 2.07 0.00 0.00 57.50 60.09 2wr5 n TRP 80 Cb 0.00 -0.86 0.00 0.00 -0.81 0.00 0.00 31.31 29.64 2wr5 n TRP 80 CO 0.00 0.00 0.00 -1.13 2.07 0.00 0.00 177.69 178.63 2wr5 n SER 81 N -1.96 1.26 -3.57 -0.67 3.41 0.20 -3.03 113.62 109.25 2wr5 n SER 81 Ca 0.00 -0.25 -0.10 0.00 -0.26 0.00 0.00 58.87 58.26 2wr5 n SER 81 Cb 0.09 0.75 -0.02 0.00 -0.26 0.00 0.00 64.21 64.77 2wr5 n SER 81 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2wr5 s TYR 82 N -1.00 -0.41 -0.03 7.33 -0.85 -1.25 -4.67 117.35 116.47 2wr5 s TYR 82 Ca 0.00 0.12 0.01 0.00 -0.52 0.00 0.00 57.07 56.68 2wr5 s TYR 82 Cb 0.00 0.60 -0.03 0.00 0.38 0.00 0.00 41.96 42.91 2wr5 s TYR 82 CO 0.00 -0.98 -0.03 0.42 -1.52 0.00 0.00 175.55 173.44 2wr5 s ILE 83 N -3.81 3.94 -0.18 -3.49 1.01 -0.99 -0.13 121.20 117.55 2wr5 s ILE 83 Ca 0.04 -0.57 -0.01 0.00 0.00 0.00 0.00 60.65 60.11 2wr5 s ILE 83 Cb -0.03 -2.70 0.00 0.00 0.01 0.00 0.00 42.46 39.75 2wr5 s ILE 83 CO -0.06 0.46 -0.13 -0.69 0.00 0.00 0.00 174.94 174.52 2wr5 s VAL 84 N -0.97 2.77 0.15 2.92 1.01 -0.36 0.30 120.40 126.22 2wr5 s VAL 84 Ca 0.16 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.43 2wr5 s VAL 84 Cb -0.11 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 2wr5 s VAL 84 CO 0.06 0.49 0.02 -0.70 0.00 0.00 0.00 175.10 174.98 2wr5 s GLU 85 N 1.07 1.00 0.14 2.72 2.12 -1.00 -2.29 118.70 122.47 2wr5 s GLU 85 Ca -0.00 -1.48 -0.08 0.00 0.36 0.00 0.00 54.97 53.77 2wr5 s GLU 85 Cb -0.15 -0.02 -0.06 0.00 0.26 0.00 0.00 34.13 34.17 2wr5 s GLU 85 CO -0.03 -0.19 0.43 0.15 -0.54 0.00 0.00 175.26 175.08 2wr5 s LYS 86 N -3.97 3.72 0.03 4.30 1.02 -1.26 -1.69 119.74 121.88 2wr5 s LYS 86 Ca 0.23 0.10 0.01 0.00 0.02 0.00 0.00 55.97 56.33 2wr5 s LYS 86 Cb 0.07 -2.85 0.08 0.00 -0.52 0.00 0.00 37.83 34.60 2wr5 s LYS 86 CO 0.02 0.46 0.89 -1.91 -0.92 0.00 0.00 175.35 173.89 2wr5 n GLU 87 N 0.32 0.01 -2.73 1.68 4.07 -1.26 -3.49 120.64 119.24 2wr5 n GLU 87 Ca -0.04 0.36 -0.06 0.00 -0.06 0.00 0.00 57.16 57.36 2wr5 n GLU 87 Cb 0.52 -1.70 0.04 0.00 -0.06 0.00 0.00 31.44 30.24 2wr5 n GLU 87 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2wr5 n ASN 88 N -1.41 -2.56 -4.64 4.31 2.85 -1.26 -5.13 115.26 107.42 2wr5 n ASN 88 Ca -0.00 -2.67 -0.30 0.00 -0.11 0.00 0.00 54.58 51.50 2wr5 n ASN 88 Cb 0.18 1.48 0.18 0.00 1.24 0.00 0.00 39.78 42.85 2wr5 n ASN 88 CO 0.00 0.00 0.00 -2.84 -2.11 0.00 0.00 177.26 172.31 2wr5 s PRO 89 N 0.65 0.64 -0.00 1.20 0.02 -1.23 -4.97 135.00 131.31 2wr5 s PRO 89 Ca 0.29 1.17 0.07 0.00 0.02 0.00 0.00 61.00 62.56 2wr5 s PRO 89 Cb 0.16 -1.71 -0.08 0.00 0.02 0.00 0.00 34.50 32.89 2wr5 s PRO 89 CO -0.16 -2.77 0.31 0.25 -0.33 0.00 0.00 177.00 174.31 2wr5 n THR 90 N -4.29 0.00 -3.80 0.99 -2.24 -1.12 -4.84 114.28 98.99 2wr5 n THR 90 Ca 0.08 -0.31 -0.30 0.00 -2.27 0.00 0.00 64.05 61.25 2wr5 n THR 90 Cb 0.53 0.95 -0.14 0.00 -2.10 0.00 0.00 70.33 69.58 2wr5 n THR 90 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2wr5 s ASN 91 N -1.80 3.95 0.00 3.42 0.01 -0.96 -5.04 114.94 114.52 2wr5 s ASN 91 Ca 0.02 -2.56 0.00 0.00 -0.71 0.00 0.00 52.86 49.61 2wr5 s ASN 91 Cb 0.06 -1.21 0.00 0.00 0.41 0.00 0.00 41.25 40.51 2wr5 s ASN 91 CO 0.31 -0.29 0.00 0.61 -1.51 0.00 0.00 177.10 176.23 2wr5 n GLY 92 N 3.65 1.72 3.55 0.66 0.00 -1.26 -1.90 105.19 111.62 2wr5 n GLY 92 Ca 0.06 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 2wr5 n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wr5 s LEU 93 N 0.00 3.29 0.38 0.99 1.43 -1.26 -4.23 118.68 119.27 2wr5 s LEU 93 Ca 0.00 -0.63 0.09 0.00 -1.03 0.00 0.00 54.13 52.56 2wr5 s LEU 93 Cb 0.00 -2.56 0.76 0.00 0.03 0.00 0.00 46.19 44.43 2wr5 s LEU 93 CO 0.00 -2.04 1.91 0.00 0.23 0.00 0.00 176.35 176.45 2wr5 s TYR 95 N -4.74 3.51 0.48 0.00 5.04 -1.26 -4.67 117.35 115.71 2wr5 s TYR 95 Ca -0.06 0.76 -0.24 0.00 -2.44 0.00 0.00 57.07 55.09 2wr5 s TYR 95 Cb 0.15 -2.42 -0.07 0.00 0.35 0.00 0.00 41.96 39.97 2wr5 s TYR 95 CO 0.74 0.25 1.34 -2.14 -1.34 0.00 0.00 175.55 174.39 2wr5 s PRO 96 N 0.39 3.56 0.00 4.97 0.02 -1.26 -4.77 135.00 137.90 2wr5 s PRO 96 Ca 0.21 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.44 2wr5 s PRO 96 Cb -0.14 -2.50 0.00 0.00 0.02 0.00 0.00 34.50 31.88 2wr5 s PRO 96 CO 0.07 -0.85 0.00 0.41 -0.33 0.00 0.00 177.00 176.30 2wr5 n GLY 97 N 0.63 -1.01 3.46 0.52 0.00 -1.26 -0.34 105.19 107.19 2wr5 n GLY 97 Ca 0.07 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 2wr5 n GLY 97 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wr5 n SER 98 N 0.74 2.51 -3.64 1.61 3.41 -0.95 -4.93 113.62 112.37 2wr5 n SER 98 Ca 0.00 -3.17 -0.26 0.00 -0.26 0.00 0.00 58.87 55.19 2wr5 n SER 98 Cb 0.00 0.62 -0.17 0.00 -0.26 0.00 0.00 64.21 64.40 2wr5 n SER 98 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2wr5 s PHE 99 N -2.90 0.33 0.33 7.33 5.36 -1.26 -2.57 117.98 124.60 2wr5 s PHE 99 Ca 0.08 -0.35 -0.29 0.00 -0.96 0.00 0.00 56.93 55.42 2wr5 s PHE 99 Cb 0.00 -0.73 -0.12 0.00 -0.34 0.00 0.00 43.02 41.84 2wr5 s PHE 99 CO 0.06 -0.49 1.49 0.09 -1.46 0.00 0.00 175.22 174.91 2wr5 n ASN 100 N 5.24 3.60 -4.02 6.13 3.02 -0.09 -2.75 115.26 126.40 2wr5 n ASN 100 Ca -0.07 1.19 -0.28 0.00 -0.03 0.00 0.00 54.58 55.39 2wr5 n ASN 100 Cb 0.49 -1.58 -0.02 0.00 -0.61 0.00 0.00 39.78 38.06 2wr5 n ASN 100 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2wr5 n ASP 101 N 1.19 -1.09 0.03 6.41 8.00 -1.26 -4.76 116.55 125.08 2wr5 n ASP 101 Ca 0.05 -1.01 -0.12 0.00 0.71 0.00 0.00 54.79 54.42 2wr5 n ASP 101 Cb 0.37 -2.98 -0.07 0.00 -0.02 0.00 0.00 41.12 38.42 2wr5 n ASP 101 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2wr5 h TYR 102 N -1.77 0.01 -0.76 1.24 3.20 -1.93 -2.69 116.97 114.27 2wr5 h TYR 102 Ca -0.62 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.23 2wr5 h TYR 102 Cb 1.38 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.61 2wr5 h TYR 102 CO 0.52 0.03 0.41 0.93 -1.64 0.00 0.00 178.16 178.41 2wr5 h GLU 103 N -0.01 1.07 -0.71 1.82 3.07 -1.89 -0.06 114.58 117.87 2wr5 h GLU 103 Ca 0.00 -0.12 -0.01 0.00 -0.50 0.00 0.00 59.36 58.73 2wr5 h GLU 103 Cb 0.02 -0.21 -0.03 0.00 -0.84 0.00 0.00 28.75 27.69 2wr5 h GLU 103 CO -0.00 0.79 0.41 0.93 -1.40 0.00 0.00 179.01 179.74 2wr5 h GLU 104 N 1.07 0.96 -0.27 2.33 4.39 -1.91 -0.47 114.58 120.69 2wr5 h GLU 104 Ca 0.27 -0.09 -0.12 0.00 0.34 0.00 0.00 59.36 59.76 2wr5 h GLU 104 Cb 0.04 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.49 2wr5 h GLU 104 CO -0.04 0.69 -0.29 1.25 -1.16 0.00 0.00 179.01 179.46 2wr5 h LEU 105 N 0.98 0.71 -0.76 1.33 5.85 -0.89 -1.61 115.31 120.92 2wr5 h LEU 105 Ca 0.25 -0.48 -0.04 0.00 0.84 0.00 0.00 57.88 58.46 2wr5 h LEU 105 Cb -0.01 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 2wr5 h LEU 105 CO -0.05 1.05 0.33 0.11 -0.34 0.00 0.00 178.44 179.55 2wr5 h LYS 106 N 0.39 1.12 0.00 1.25 1.57 -0.58 -2.07 116.57 118.25 2wr5 h LYS 106 Ca 0.04 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 2wr5 h LYS 106 Cb 0.86 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 2wr5 h LYS 106 CO 0.07 0.89 -0.25 1.25 -0.57 0.00 0.00 179.45 180.84 2wr5 h HIS 107 N 1.08 0.00 0.00 -1.35 2.76 -0.96 -2.16 115.15 114.52 2wr5 h HIS 107 Ca 0.26 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.27 2wr5 h HIS 107 Cb 0.17 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.11 2wr5 h HIS 107 CO 0.01 0.25 -0.74 1.25 -1.30 0.00 0.00 177.93 177.41 2wr5 h LEU 108 N 0.00 0.00 -2.34 0.26 7.12 -0.62 -3.15 115.31 116.58 2wr5 h LEU 108 Ca -0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2wr5 h LEU 108 Cb 0.57 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.70 2wr5 h LEU 108 CO 0.03 0.74 0.00 0.18 -0.13 0.00 0.00 178.44 179.26 2wr5 n LEU 109 N -3.61 3.46 -0.09 2.25 4.77 -0.86 -4.47 117.00 118.44 2wr5 n LEU 109 Ca -0.01 -1.59 0.09 0.00 -0.03 0.00 0.00 56.01 54.47 2wr5 n LEU 109 Cb 0.73 -0.33 0.44 0.00 -2.33 0.00 0.00 43.42 41.94 2wr5 n LEU 109 CO 0.43 0.79 1.19 0.00 -1.33 0.00 0.00 177.39 178.48 2wr5 h THR 110 N 4.18 0.98 -2.77 -5.08 1.03 -1.38 -3.43 112.91 106.43 2wr5 h THR 110 Ca 0.00 -0.18 -0.12 0.00 -0.01 0.00 0.00 66.41 66.10 2wr5 h THR 110 Cb 0.93 0.40 -0.23 0.00 -1.07 0.00 0.00 68.15 68.18 2wr5 h THR 110 CO 0.00 0.10 -0.22 -0.55 -0.01 0.00 0.00 175.52 174.84 2wr5 s SER 111 N -6.33 -0.38 0.05 0.00 0.15 -1.26 -3.91 113.70 102.01 2wr5 s SER 111 Ca -0.08 0.64 -0.14 0.00 0.70 0.00 0.00 55.95 57.07 2wr5 s SER 111 Cb 0.19 0.70 0.02 0.00 -1.71 0.00 0.00 66.02 65.22 2wr5 s SER 111 CO 0.75 -0.24 0.32 -0.69 1.20 0.00 0.00 173.24 174.58 2wr5 s VAL 112 N -0.24 0.08 0.00 4.45 1.01 -1.17 -4.83 120.40 119.70 2wr5 s VAL 112 Ca -0.04 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.29 2wr5 s VAL 112 Cb -0.03 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.39 2wr5 s VAL 112 CO 0.02 -0.36 0.83 0.35 0.00 0.00 0.00 175.10 175.94 2wr5 n THR 113 N 0.53 0.00 -1.51 3.92 -2.24 0.27 -4.45 114.28 110.80 2wr5 n THR 113 Ca -0.18 1.33 0.00 0.00 -2.27 0.00 0.00 64.05 62.92 2wr5 n THR 113 Cb 0.60 -2.26 0.00 0.00 -2.10 0.00 0.00 70.33 66.56 2wr5 n THR 113 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2wr5 n HIS 114 N -1.58 -1.96 -3.22 4.78 -0.00 -0.53 -4.60 115.22 108.11 2wr5 n HIS 114 Ca 0.00 1.17 0.04 0.00 -0.00 0.00 0.00 57.72 58.93 2wr5 n HIS 114 Cb 0.00 -2.74 -0.02 0.00 -0.00 0.00 0.00 29.99 27.23 2wr5 n HIS 114 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.34 176.46 2wr5 s PHE 115 N -0.24 -1.01 0.09 1.57 2.19 -0.22 -2.47 117.98 117.89 2wr5 s PHE 115 Ca 0.00 1.20 0.04 0.00 0.33 0.00 0.00 56.93 58.49 2wr5 s PHE 115 Cb 0.00 0.40 -0.04 0.00 -1.31 0.00 0.00 43.02 42.08 2wr5 s PHE 115 CO 0.00 -0.54 -0.10 -1.83 1.83 0.00 0.00 175.22 174.58 2wr5 s GLU 116 N 2.84 0.83 -0.37 10.12 -1.05 -0.61 -4.66 118.70 125.81 2wr5 s GLU 116 Ca 0.07 -1.14 -0.13 0.00 -0.15 0.00 0.00 54.97 53.62 2wr5 s GLU 116 Cb -0.12 -0.53 -0.00 0.00 -0.44 0.00 0.00 34.13 33.04 2wr5 s GLU 116 CO -0.16 0.08 0.26 0.21 0.95 0.00 0.00 175.26 176.60 2wr5 s LYS 117 N -2.71 3.25 0.05 -4.83 2.20 -1.26 -0.66 119.74 115.78 2wr5 s LYS 117 Ca 0.05 -0.81 0.01 0.00 -0.36 0.00 0.00 55.97 54.85 2wr5 s LYS 117 Cb -0.03 -3.86 -0.04 0.00 -1.51 0.00 0.00 37.83 32.38 2wr5 s LYS 117 CO 0.00 -0.57 0.14 0.42 -0.36 0.00 0.00 175.35 174.98 2wr5 s ILE 118 N 1.69 5.02 -0.36 5.43 -1.09 -0.19 -4.96 121.20 126.74 2wr5 s ILE 118 Ca 0.05 -0.49 -0.19 0.00 -2.23 0.00 0.00 60.65 57.80 2wr5 s ILE 118 Cb -0.18 -3.40 0.00 0.00 -1.58 0.00 0.00 42.46 37.30 2wr5 s ILE 118 CO 0.10 0.19 0.56 -0.75 -1.23 0.00 0.00 174.94 173.81 2wr5 s LYS 119 N -2.28 3.60 -0.07 2.79 2.20 -1.26 -0.77 119.74 123.95 2wr5 s LYS 119 Ca 0.30 -0.13 0.13 0.00 -0.36 0.00 0.00 55.97 55.91 2wr5 s LYS 119 Cb -0.13 -3.82 -0.20 0.00 -1.51 0.00 0.00 37.83 32.18 2wr5 s LYS 119 CO 0.23 -0.70 0.20 0.44 -0.36 0.00 0.00 175.35 175.15 2wr5 n ILE 120 N 5.50 0.38 -3.22 5.43 -5.35 -0.59 -4.81 119.36 116.70 2wr5 n ILE 120 Ca -0.04 -0.42 -0.24 0.00 -0.27 0.00 0.00 62.75 61.79 2wr5 n ILE 120 Cb 0.49 -0.17 -0.07 0.00 -1.74 0.00 0.00 39.64 38.14 2wr5 n ILE 120 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2wr5 n LEU 121 N -2.20 -0.31 -4.50 7.28 4.77 -0.87 -4.96 117.00 116.22 2wr5 n LEU 121 Ca -0.11 -4.47 -0.51 0.00 -0.03 0.00 0.00 56.01 50.90 2wr5 n LEU 121 Cb 0.61 0.63 -0.05 0.00 -2.33 0.00 0.00 43.42 42.28 2wr5 n LEU 121 CO 0.29 2.00 0.44 -2.65 -1.33 0.00 0.00 177.39 176.13 2wr5 n PRO 122 N 1.91 0.49 -0.12 3.23 -0.02 -1.26 -4.55 135.00 134.68 2wr5 n PRO 122 Ca 0.23 0.18 -0.06 0.00 -2.02 0.00 0.00 63.50 61.83 2wr5 n PRO 122 Cb 0.52 -1.51 0.01 0.00 -0.02 0.00 0.00 33.50 32.50 2wr5 n PRO 122 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wr5 h ARG 123 N 2.42 -0.14 0.00 -0.52 3.08 -1.95 -2.88 114.38 114.39 2wr5 h ARG 123 Ca -0.40 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.66 2wr5 h ARG 123 Cb 1.40 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.48 2wr5 h ARG 123 CO 0.64 -0.09 0.00 -0.40 -1.07 0.00 0.00 179.97 179.04 2wr5 n ASP 124 N -5.39 0.03 0.09 7.04 3.85 -1.26 -1.98 116.55 118.93 2wr5 n ASP 124 Ca 0.02 0.51 0.13 0.00 -0.71 0.00 0.00 54.79 54.74 2wr5 n ASP 124 Cb 0.30 -0.51 0.32 0.00 -1.35 0.00 0.00 41.12 39.88 2wr5 n ASP 124 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2wr5 n GLN 125 N -1.53 0.27 -2.30 0.11 6.02 -1.09 -4.23 117.38 114.63 2wr5 n GLN 125 Ca 0.02 0.17 -0.35 0.00 -0.01 0.00 0.00 57.00 56.83 2wr5 n GLN 125 Cb 0.10 -1.76 -0.04 0.00 1.02 0.00 0.00 30.24 29.56 2wr5 n GLN 125 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2wr5 s TRP 126 N -3.12 2.27 -0.07 1.08 0.52 -0.84 -4.76 118.94 114.03 2wr5 s TRP 126 Ca 0.09 -0.36 0.14 0.00 0.02 0.00 0.00 56.10 55.99 2wr5 s TRP 126 Cb 0.13 -4.36 -0.13 0.00 -1.15 0.00 0.00 33.47 27.96 2wr5 s TRP 126 CO 0.64 -1.61 0.98 0.00 0.02 0.00 0.00 176.95 176.99 2wr5 h THR 127 N 6.29 0.87 -0.42 2.01 1.03 -1.87 -3.30 112.91 117.52 2wr5 h THR 127 Ca 0.26 -2.47 0.00 0.00 -0.01 0.00 0.00 66.41 64.20 2wr5 h THR 127 Cb 0.94 2.35 0.00 0.00 -1.07 0.00 0.00 68.15 70.37 2wr5 h THR 127 CO 1.33 0.49 0.00 0.00 -0.01 0.00 0.00 175.52 177.33 2wr5 n GLN 128 N -3.07 2.15 -4.25 0.00 6.02 -1.26 -4.96 117.38 112.01 2wr5 n GLN 128 Ca -0.08 -1.77 -0.14 0.00 -0.01 0.00 0.00 57.00 55.00 2wr5 n GLN 128 Cb 0.89 -1.42 -0.10 0.00 1.02 0.00 0.00 30.24 30.63 2wr5 n GLN 128 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2wr5 s HIS 129 N -1.44 1.25 0.05 1.08 3.76 -1.24 -4.44 115.29 114.31 2wr5 s HIS 129 Ca 0.35 -0.91 -0.21 0.00 -0.15 0.00 0.00 55.06 54.13 2wr5 s HIS 129 Cb 0.19 -0.70 -0.06 0.00 1.11 0.00 0.00 32.58 33.12 2wr5 s HIS 129 CO 0.25 -0.09 0.63 0.99 -0.85 0.00 0.00 174.74 175.67 2wr5 s THR 130 N -3.51 4.76 -0.04 1.30 2.01 -0.12 -4.87 115.64 115.18 2wr5 s THR 130 Ca 0.21 1.33 0.06 0.00 0.31 0.00 0.00 61.69 63.60 2wr5 s THR 130 Cb 0.05 -3.96 -0.08 0.00 0.01 0.00 0.00 72.50 68.51 2wr5 s THR 130 CO 0.03 0.48 0.07 0.41 -0.69 0.00 0.00 174.62 174.91 2wr5 n THR 131 N 2.23 0.22 1.72 -0.82 -1.04 -1.26 -1.16 114.28 114.17 2wr5 n THR 131 Ca -0.07 -0.20 0.10 0.00 -2.04 0.00 0.00 64.05 61.84 2wr5 n THR 131 Cb 0.51 -0.32 0.59 0.00 -1.82 0.00 0.00 70.33 69.29 2wr5 n THR 131 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2wr5 n THR 132 N -1.99 0.00 -1.61 12.58 -2.24 -1.26 -4.32 114.28 115.43 2wr5 n THR 132 Ca -0.06 0.00 -0.58 0.00 -2.27 0.00 0.00 64.05 61.14 2wr5 n THR 132 Cb 0.45 -0.43 -0.08 0.00 -2.10 0.00 0.00 70.33 68.18 2wr5 n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr5 n GLY 133 N 0.62 0.26 0.00 3.38 0.00 -1.26 -4.95 105.19 103.23 2wr5 n GLY 133 Ca 0.15 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.98 2wr5 n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wr5 n GLY 134 N 2.75 4.97 3.57 -0.02 0.00 -1.26 -4.69 105.19 110.51 2wr5 n GLY 134 Ca 0.22 -1.82 -0.16 0.00 0.00 0.00 0.00 46.02 44.27 2wr5 n GLY 134 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wr5 s SER 135 N -0.23 -0.67 0.37 1.61 0.15 -0.80 -4.95 113.70 109.17 2wr5 s SER 135 Ca 0.00 1.00 0.27 0.00 0.70 0.00 0.00 55.95 57.92 2wr5 s SER 135 Cb 0.00 0.91 1.27 0.00 -1.71 0.00 0.00 66.02 66.49 2wr5 s SER 135 CO 0.00 -0.44 1.82 -0.09 1.20 0.00 0.00 173.24 175.73 2wr5 h ARG 136 N 3.81 0.00 0.00 5.44 9.65 -1.93 -2.71 114.38 128.64 2wr5 h ARG 136 Ca -0.27 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.49 2wr5 h ARG 136 Cb 1.15 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.71 2wr5 h ARG 136 CO 0.24 0.00 -0.54 0.00 2.80 0.00 0.00 179.97 182.47 2wr5 h ALA 137 N 2.11 0.79 -1.37 2.80 0.00 -1.88 -3.25 119.26 118.46 2wr5 h ALA 137 Ca 0.00 -0.50 -0.66 0.00 0.00 0.00 0.00 54.91 53.76 2wr5 h ALA 137 Cb 0.25 -0.09 -0.36 0.00 0.00 0.00 0.00 17.79 17.59 2wr5 h ALA 137 CO 0.00 0.68 -0.04 0.00 0.00 0.00 0.00 179.25 179.89 2wr5 s ALA 139 N -3.75 3.48 -0.26 0.00 0.00 -1.23 -2.36 121.76 117.64 2wr5 s ALA 139 Ca 0.49 0.13 0.12 0.00 0.00 0.00 0.00 51.96 52.71 2wr5 s ALA 139 Cb 0.40 -2.81 -0.17 0.00 0.00 0.00 0.00 23.12 20.55 2wr5 s ALA 139 CO -0.27 0.21 0.38 1.33 0.00 0.00 0.00 175.76 177.41 2wr5 n VAL 140 N 2.37 0.00 -0.32 0.00 0.24 -1.26 -4.88 118.33 114.47 2wr5 n VAL 140 Ca -0.06 -0.26 -0.04 0.00 -2.04 0.00 0.00 64.34 61.94 2wr5 n VAL 140 Cb 0.50 0.55 0.20 0.00 -1.47 0.00 0.00 33.84 33.63 2wr5 n VAL 140 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wr5 n GLY 142 N 1.57 2.94 3.84 7.63 0.00 -1.26 -4.80 105.19 115.12 2wr5 n GLY 142 Ca -0.00 -0.64 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 2wr5 n GLY 142 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wr5 s ASN 143 N -0.50 6.70 0.02 1.61 -0.87 -1.26 -5.02 114.94 115.62 2wr5 s ASN 143 Ca 0.36 1.48 -0.30 0.00 -1.57 0.00 0.00 52.86 52.83 2wr5 s ASN 143 Cb 0.29 -2.46 -0.06 0.00 -0.02 0.00 0.00 41.25 38.99 2wr5 s ASN 143 CO 0.09 -0.44 1.42 -2.84 -2.57 0.00 0.00 177.10 172.75 2wr5 s PRO 144 N -3.66 4.28 0.00 -0.60 0.02 -1.26 -4.57 135.00 129.21 2wr5 s PRO 144 Ca 0.58 2.00 0.00 0.00 0.02 0.00 0.00 61.00 63.60 2wr5 s PRO 144 Cb -0.10 -3.54 0.00 0.00 0.02 0.00 0.00 34.50 30.88 2wr5 s PRO 144 CO 0.25 -0.57 0.00 0.45 -0.33 0.00 0.00 177.00 176.80 2wr5 n SER 145 N 5.24 0.52 -3.60 2.53 2.88 -0.99 -4.50 113.62 115.70 2wr5 n SER 145 Ca 0.13 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.61 2wr5 n SER 145 Cb 0.43 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.88 2wr5 n SER 145 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2wr5 s PHE 146 N 1.88 -0.26 -0.48 0.66 5.36 -1.24 -1.91 117.98 121.99 2wr5 s PHE 146 Ca 0.00 0.07 -0.45 0.00 -0.96 0.00 0.00 56.93 55.59 2wr5 s PHE 146 Cb 0.00 0.58 -0.19 0.00 -0.34 0.00 0.00 43.02 43.07 2wr5 s PHE 146 CO 0.00 -0.65 1.85 1.19 -1.46 0.00 0.00 175.22 176.15 2wr5 n PHE 147 N -0.33 1.54 0.30 10.12 3.01 -1.26 -4.71 117.46 126.12 2wr5 n PHE 147 Ca -0.08 0.92 0.17 0.00 1.01 0.00 0.00 57.45 59.47 2wr5 n PHE 147 Cb 0.61 -2.28 0.94 0.00 -0.01 0.00 0.00 39.48 38.74 2wr5 n PHE 147 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wr5 h ARG 148 N 7.06 0.00 0.00 -1.08 3.08 0.53 -2.36 114.38 121.61 2wr5 h ARG 148 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.75 2wr5 h ARG 148 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.43 2wr5 h ARG 148 CO 1.02 0.03 -0.80 0.09 -1.07 0.00 0.00 179.97 179.25 2wr5 n ASN 149 N -3.56 0.63 -4.79 7.04 3.02 -0.23 -4.94 115.26 112.43 2wr5 n ASN 149 Ca -0.03 -0.24 -0.22 0.00 -0.03 0.00 0.00 54.58 54.07 2wr5 n ASN 149 Cb 0.13 0.54 -0.05 0.00 -0.61 0.00 0.00 39.78 39.79 2wr5 n ASN 149 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2wr5 s MET 150 N -3.11 2.60 -0.11 3.52 -1.94 -0.89 -0.83 119.30 118.53 2wr5 s MET 150 Ca 0.07 -1.35 0.01 0.00 -1.71 0.00 0.00 55.69 52.70 2wr5 s MET 150 Cb 0.15 -2.36 0.02 0.00 2.01 0.00 0.00 34.83 34.65 2wr5 s MET 150 CO 0.76 0.17 -0.12 0.08 -0.01 0.00 0.00 175.02 175.90 2wr5 s VAL 151 N -2.32 1.31 -0.84 -6.03 1.01 0.69 -4.82 120.40 109.41 2wr5 s VAL 151 Ca 0.38 -0.51 -0.19 0.00 0.00 0.00 0.00 61.98 61.65 2wr5 s VAL 151 Cb -0.05 -1.24 0.12 0.00 0.00 0.00 0.00 36.38 35.21 2wr5 s VAL 151 CO 0.24 0.41 1.05 0.86 0.00 0.00 0.00 175.10 177.66 2wr5 s TRP 152 N 1.23 3.03 -0.18 5.22 -0.11 -1.26 -1.08 118.94 125.79 2wr5 s TRP 152 Ca -0.03 -1.19 -0.29 0.00 1.22 0.00 0.00 56.10 55.81 2wr5 s TRP 152 Cb -0.14 -4.25 -0.02 0.00 -1.50 0.00 0.00 33.47 27.56 2wr5 s TRP 152 CO -0.04 -1.50 1.31 -0.51 -4.62 0.00 0.00 176.95 171.58 2wr5 s LEU 153 N 2.93 4.14 0.44 5.86 1.43 -1.23 -4.24 118.68 128.02 2wr5 s LEU 153 Ca 0.28 1.67 0.04 0.00 -1.03 0.00 0.00 54.13 55.09 2wr5 s LEU 153 Cb -0.09 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.55 2wr5 s LEU 153 CO -0.04 -0.83 0.03 0.42 0.23 0.00 0.00 176.35 176.16 2wr5 s THR 154 N 3.70 1.43 0.63 5.49 -4.23 -0.31 -4.61 115.64 117.74 2wr5 s THR 154 Ca 0.57 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.91 2wr5 s THR 154 Cb -0.22 -2.58 -0.01 0.00 1.34 0.00 0.00 72.50 71.02 2wr5 s THR 154 CO 0.17 0.00 1.13 -1.59 -0.54 0.00 0.00 174.62 173.79 2wr5 s LYS 155 N -3.80 2.89 -0.31 3.99 -2.85 -0.26 -0.94 119.74 118.46 2wr5 s LYS 155 Ca 0.23 1.50 -0.04 0.00 -1.00 0.00 0.00 55.97 56.65 2wr5 s LYS 155 Cb 0.06 -1.95 0.04 0.00 -2.06 0.00 0.00 37.83 33.91 2wr5 s LYS 155 CO 0.12 -1.20 0.05 0.21 0.10 0.00 0.00 175.35 174.62 2wr5 s LYS 156 N -3.84 2.67 7.76 1.78 2.20 -0.45 -4.12 119.74 125.74 2wr5 s LYS 156 Ca 0.69 -1.13 0.00 0.00 -0.36 0.00 0.00 55.97 55.18 2wr5 s LYS 156 Cb -0.23 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 32.80 2wr5 s LYS 156 CO 0.38 -0.58 0.00 0.41 -0.36 0.00 0.00 175.35 175.20 2wr5 n GLY 157 N 4.74 2.72 0.86 5.54 0.00 -1.26 -2.71 105.19 115.08 2wr5 n GLY 157 Ca -0.14 -0.29 0.06 0.00 0.00 0.00 0.00 46.02 45.65 2wr5 n GLY 157 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wr5 n SER 158 N 8.50 3.42 -4.13 1.61 3.41 -1.26 -5.02 113.62 120.16 2wr5 n SER 158 Ca 0.00 -3.18 -0.21 0.00 -0.26 0.00 0.00 58.87 55.22 2wr5 n SER 158 Cb 0.00 -0.55 -0.14 0.00 -0.26 0.00 0.00 64.21 63.26 2wr5 n SER 158 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2wr5 s ASN 159 N -2.17 1.65 -0.42 4.04 0.02 -1.10 -4.94 114.94 112.02 2wr5 s ASN 159 Ca 0.42 -0.36 0.02 0.00 -1.02 0.00 0.00 52.86 51.91 2wr5 s ASN 159 Cb 0.35 -0.14 0.14 0.00 0.02 0.00 0.00 41.25 41.61 2wr5 s ASN 159 CO 0.06 0.10 0.23 -0.47 0.02 0.00 0.00 177.10 177.04 2wr5 s TYR 160 N -0.61 1.78 0.92 2.20 5.04 -1.26 -1.33 117.35 124.09 2wr5 s TYR 160 Ca 0.03 -2.29 -0.12 0.00 -2.44 0.00 0.00 57.07 52.25 2wr5 s TYR 160 Cb -0.07 -1.74 0.14 0.00 0.35 0.00 0.00 41.96 40.65 2wr5 s TYR 160 CO 0.00 -0.79 1.11 -1.25 -1.34 0.00 0.00 175.55 173.28 2wr5 s PRO 161 N 0.49 1.04 -0.04 4.97 0.05 -1.26 -4.88 135.00 135.37 2wr5 s PRO 161 Ca 0.17 0.51 -0.32 0.00 0.05 0.00 0.00 61.00 61.42 2wr5 s PRO 161 Cb -0.24 -1.81 -0.10 0.00 0.05 0.00 0.00 34.50 32.40 2wr5 s PRO 161 CO 0.00 -2.31 1.95 0.28 0.05 0.00 0.00 177.00 176.97 2wr5 n VAL 162 N -3.88 0.66 -2.97 -0.36 0.31 -1.26 -4.86 118.33 105.97 2wr5 n VAL 162 Ca 0.06 -0.14 -0.41 0.00 -0.01 0.00 0.00 64.34 63.84 2wr5 n VAL 162 Cb 0.57 -2.11 -0.05 0.00 -0.91 0.00 0.00 33.84 31.35 2wr5 n VAL 162 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wr5 s ALA 163 N 4.49 3.58 -0.27 3.52 0.00 0.10 -4.93 121.76 128.24 2wr5 s ALA 163 Ca 0.92 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.72 2wr5 s ALA 163 Cb -0.56 -3.16 0.16 0.00 0.00 0.00 0.00 23.12 19.55 2wr5 s ALA 163 CO 0.47 -0.74 0.42 0.21 0.00 0.00 0.00 175.76 176.12 2wr5 s LYS 164 N 2.37 0.41 0.13 0.00 2.20 -1.26 -0.69 119.74 122.91 2wr5 s LYS 164 Ca 0.33 0.37 0.05 0.00 -0.36 0.00 0.00 55.97 56.36 2wr5 s LYS 164 Cb -0.16 -0.27 -0.04 0.00 -1.51 0.00 0.00 37.83 35.85 2wr5 s LYS 164 CO 0.10 -0.86 -0.12 1.03 -0.36 0.00 0.00 175.35 175.14 2wr5 s ARG 165 N 2.58 1.02 0.39 4.03 0.52 -1.11 -5.01 118.95 121.37 2wr5 s ARG 165 Ca 0.12 -1.33 0.04 0.00 -0.52 0.00 0.00 55.73 54.03 2wr5 s ARG 165 Cb -0.14 -0.72 -0.03 0.00 0.52 0.00 0.00 34.95 34.58 2wr5 s ARG 165 CO -0.24 0.11 0.10 -1.54 0.02 0.00 0.00 175.30 173.75 2wr5 s SER 166 N -2.80 2.70 -0.27 0.23 1.04 -1.26 -1.12 113.70 112.22 2wr5 s SER 166 Ca 0.12 -1.59 -0.07 0.00 0.48 0.00 0.00 55.95 54.90 2wr5 s SER 166 Cb -0.01 0.34 0.13 0.00 0.10 0.00 0.00 66.02 66.58 2wr5 s SER 166 CO 0.02 -0.84 0.56 -0.47 0.98 0.00 0.00 173.24 173.49 2wr5 s TYR 167 N -3.23 -1.23 -0.15 5.02 5.04 -0.93 -4.98 117.35 116.88 2wr5 s TYR 167 Ca 0.27 1.91 -0.25 0.00 -2.44 0.00 0.00 57.07 56.56 2wr5 s TYR 167 Cb 0.04 0.58 -0.02 0.00 0.35 0.00 0.00 41.96 42.92 2wr5 s TYR 167 CO 0.14 -0.67 0.82 1.21 -1.34 0.00 0.00 175.55 175.71 2wr5 s ASN 168 N 2.80 6.97 -1.00 4.32 3.84 -1.26 -1.88 114.94 128.73 2wr5 s ASN 168 Ca 0.02 1.19 -0.23 0.00 0.21 0.00 0.00 52.86 54.05 2wr5 s ASN 168 Cb -0.13 -2.45 -0.01 0.00 -0.55 0.00 0.00 41.25 38.10 2wr5 s ASN 168 CO -0.18 -0.36 1.78 0.21 -2.79 0.00 0.00 177.10 175.76 2wr5 s ASN 169 N 1.11 5.65 0.00 -4.21 2.47 0.14 -4.72 114.94 115.39 2wr5 s ASN 169 Ca 0.39 -1.15 0.25 0.00 0.42 0.00 0.00 52.86 52.77 2wr5 s ASN 169 Cb -0.17 -2.57 0.50 0.00 -1.45 0.00 0.00 41.25 37.56 2wr5 s ASN 169 CO 0.14 -2.31 1.42 0.35 -3.72 0.00 0.00 177.10 172.98 2wr5 n THR 170 N 7.47 0.00 0.22 -5.21 -2.24 -1.26 -0.19 114.28 113.07 2wr5 n THR 170 Ca 0.39 -0.33 0.03 0.00 -2.27 0.00 0.00 64.05 61.87 2wr5 n THR 170 Cb 0.48 1.00 0.14 0.00 -2.10 0.00 0.00 70.33 69.85 2wr5 n THR 170 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2wr5 n SER 171 N 0.48 0.00 0.00 3.42 3.41 -1.26 -4.84 113.62 114.83 2wr5 n SER 171 Ca 0.14 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 2wr5 n SER 171 Cb 0.47 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 2wr5 n SER 171 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wr5 n GLY 172 N -0.85 2.06 3.15 5.00 0.00 -1.26 -5.02 105.19 108.27 2wr5 n GLY 172 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 2wr5 n GLY 172 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wr5 s GLU 173 N -0.27 0.76 0.19 1.61 2.02 -1.26 -4.99 118.70 116.75 2wr5 s GLU 173 Ca 0.00 -0.95 -0.31 0.00 0.02 0.00 0.00 54.97 53.72 2wr5 s GLU 173 Cb 0.00 -0.65 -0.16 0.00 0.10 0.00 0.00 34.13 33.42 2wr5 s GLU 173 CO 0.00 0.13 1.02 0.94 0.02 0.00 0.00 175.26 177.37 2wr5 n GLN 174 N 1.17 0.93 -4.55 1.61 7.27 -1.25 -4.64 117.38 117.93 2wr5 n GLN 174 Ca -0.21 0.33 -0.27 0.00 0.07 0.00 0.00 57.00 56.93 2wr5 n GLN 174 Cb 0.55 -1.72 -0.17 0.00 2.41 0.00 0.00 30.24 31.32 2wr5 n GLN 174 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 2wr5 s MET 175 N -0.72 2.00 -0.03 3.69 -2.45 -0.61 -1.33 119.30 119.86 2wr5 s MET 175 Ca 0.70 -0.50 -0.26 0.00 -1.25 0.00 0.00 55.69 54.38 2wr5 s MET 175 Cb -0.86 -1.68 -0.04 0.00 1.25 0.00 0.00 34.83 33.51 2wr5 s MET 175 CO 0.55 -0.01 0.82 -1.17 1.05 0.00 0.00 175.02 176.26 2wr5 s LEU 176 N 0.83 4.35 -0.02 4.11 2.96 -0.01 0.56 118.68 131.47 2wr5 s LEU 176 Ca -0.11 1.41 0.01 0.00 -0.22 0.00 0.00 54.13 55.23 2wr5 s LEU 176 Cb -0.15 -3.30 0.01 0.00 0.50 0.00 0.00 46.19 43.25 2wr5 s LEU 176 CO 0.01 -0.16 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.21 2wr5 s ILE 177 N 0.78 0.41 -0.04 6.68 1.01 -0.52 -0.95 121.20 128.57 2wr5 s ILE 177 Ca 0.43 -0.14 0.07 0.00 0.00 0.00 0.00 60.65 61.01 2wr5 s ILE 177 Cb -0.19 -0.40 -0.01 0.00 0.01 0.00 0.00 42.46 41.86 2wr5 s ILE 177 CO 0.23 0.15 -0.24 -0.63 0.00 0.00 0.00 174.94 174.45 2wr5 s ILE 178 N 0.38 1.94 0.26 2.92 1.01 -1.26 -1.33 121.20 125.11 2wr5 s ILE 178 Ca -0.04 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 59.60 2wr5 s ILE 178 Cb -0.08 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 2wr5 s ILE 178 CO -0.00 0.54 0.13 -1.66 0.00 0.00 0.00 174.94 173.95 2wr5 s TRP 179 N -0.35 1.45 0.20 3.97 -2.14 -0.84 -3.71 118.94 117.51 2wr5 s TRP 179 Ca 0.03 -1.32 -0.07 0.00 2.66 0.00 0.00 56.10 57.40 2wr5 s TRP 179 Cb -0.11 -0.77 -0.02 0.00 -3.10 0.00 0.00 33.47 29.46 2wr5 s TRP 179 CO 0.01 -0.51 0.28 0.20 -2.66 0.00 0.00 176.95 174.27 2wr5 s GLY 180 N -3.29 0.81 -0.00 3.67 0.00 0.24 -0.86 107.32 107.90 2wr5 s GLY 180 Ca 0.38 -1.16 0.05 0.00 0.00 0.00 0.00 44.72 43.98 2wr5 s GLY 180 CO 0.15 -0.98 -0.15 -1.50 0.00 0.00 0.00 173.10 170.62 2wr5 s ILE 181 N -4.04 1.17 -0.19 0.90 2.07 -0.53 0.25 121.20 120.83 2wr5 s ILE 181 Ca 0.25 -0.71 -0.09 0.00 -1.41 0.00 0.00 60.65 58.69 2wr5 s ILE 181 Cb 0.04 -0.99 -0.05 0.00 0.13 0.00 0.00 42.46 41.59 2wr5 s ILE 181 CO 0.06 0.27 0.13 -2.28 -1.91 0.00 0.00 174.94 171.21 2wr5 s HIS 182 N -0.45 3.44 -0.40 3.50 5.65 0.29 -1.68 115.29 125.64 2wr5 s HIS 182 Ca 0.05 0.36 -0.07 0.00 0.25 0.00 0.00 55.06 55.65 2wr5 s HIS 182 Cb -0.06 -2.12 0.08 0.00 -1.18 0.00 0.00 32.58 29.30 2wr5 s HIS 182 CO -0.00 0.36 0.22 0.71 -0.65 0.00 0.00 174.74 175.38 2wr5 s TYR 183 N 0.13 3.39 1.02 3.88 2.02 0.62 -4.83 117.35 123.58 2wr5 s TYR 183 Ca 0.09 -1.80 -0.12 0.00 -0.37 0.00 0.00 57.07 54.87 2wr5 s TYR 183 Cb -0.11 -2.93 0.20 0.00 -0.40 0.00 0.00 41.96 38.72 2wr5 s TYR 183 CO -0.01 -0.88 1.08 -2.14 -1.57 0.00 0.00 175.55 172.03 2wr5 s PRO 184 N 1.33 0.25 0.28 -1.71 0.02 -1.26 -1.75 135.00 132.16 2wr5 s PRO 184 Ca 0.03 1.03 0.15 0.00 0.02 0.00 0.00 61.00 62.23 2wr5 s PRO 184 Cb -0.23 -1.68 0.08 0.00 0.02 0.00 0.00 34.50 32.70 2wr5 s PRO 184 CO 0.00 -2.99 1.45 -0.97 -0.33 0.00 0.00 177.00 174.16 2wr5 h ASN 185 N -2.10 0.00 -5.25 2.53 -1.24 -1.82 -3.31 115.58 104.39 2wr5 h ASN 185 Ca -0.53 0.00 0.14 0.00 0.71 0.00 0.00 56.30 56.62 2wr5 h ASN 185 Cb 1.30 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 40.29 2wr5 h ASN 185 CO 0.49 0.52 0.43 1.51 -1.29 0.00 0.00 177.43 179.08 2wr5 s ASP 186 N -6.47 -0.16 0.44 1.15 -4.77 -1.26 -3.92 116.67 101.67 2wr5 s ASP 186 Ca 0.04 -0.53 0.10 0.00 -3.30 0.00 0.00 52.55 48.85 2wr5 s ASP 186 Cb 0.08 0.57 0.97 0.00 -1.09 0.00 0.00 42.92 43.44 2wr5 s ASP 186 CO 0.75 -1.07 2.06 0.44 0.70 0.00 0.00 175.17 178.05 2wr5 h ASP 187 N 2.00 0.36 0.10 2.11 3.32 -1.97 -2.35 116.42 120.00 2wr5 h ASP 187 Ca -0.24 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 2wr5 h ASP 187 Cb 1.23 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.70 2wr5 h ASP 187 CO 0.27 0.25 -0.05 0.71 -1.72 0.00 0.00 179.24 178.71 2wr5 h THR 188 N 0.42 1.11 -0.52 0.35 1.35 -2.00 -2.61 112.91 111.01 2wr5 h THR 188 Ca 0.14 -0.95 0.11 0.00 -0.55 0.00 0.00 66.41 65.16 2wr5 h THR 188 Cb 0.06 1.70 -0.03 0.00 -1.73 0.00 0.00 68.15 68.15 2wr5 h THR 188 CO -0.03 0.23 0.36 -0.08 -0.25 0.00 0.00 175.52 175.74 2wr5 h GLU 189 N -0.59 0.24 -0.09 4.72 4.81 -1.94 -0.34 114.58 121.39 2wr5 h GLU 189 Ca -0.01 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2wr5 h GLU 189 Cb 0.48 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 2wr5 h GLU 189 CO 0.02 0.16 0.05 0.37 -0.73 0.00 0.00 179.01 178.88 2wr5 h GLN 190 N 0.25 0.12 -0.41 1.92 5.75 -1.35 -2.94 115.11 118.45 2wr5 h GLN 190 Ca 0.24 -0.02 -0.08 0.00 -0.15 0.00 0.00 58.65 58.65 2wr5 h GLN 190 Cb 0.63 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.14 2wr5 h GLN 190 CO -0.05 0.17 -0.07 0.00 -2.65 0.00 0.00 178.83 176.24 2wr5 h ARG 191 N 0.04 0.69 0.00 1.69 3.08 -0.69 -0.33 114.38 118.86 2wr5 h ARG 191 Ca 0.03 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.88 2wr5 h ARG 191 Cb 0.09 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2wr5 h ARG 191 CO -0.00 0.76 0.00 1.79 -1.07 0.00 0.00 179.97 181.44 2wr5 h THR 192 N 0.64 0.00 0.04 2.04 1.35 -1.34 0.12 112.91 115.76 2wr5 h THR 192 Ca 0.12 -0.66 -0.37 0.00 -0.55 0.00 0.00 66.41 64.94 2wr5 h THR 192 Cb 0.50 1.64 -0.05 0.00 -1.73 0.00 0.00 68.15 68.51 2wr5 h THR 192 CO 0.03 0.00 -2.25 0.18 -0.25 0.00 0.00 175.52 173.23 2wr5 n LEU 193 N -2.93 2.41 0.00 3.87 4.32 -1.09 -4.76 117.00 118.82 2wr5 n LEU 193 Ca 0.02 0.03 0.00 0.00 -0.02 0.00 0.00 56.01 56.05 2wr5 n LEU 193 Cb 0.39 -0.76 0.00 0.00 -1.62 0.00 0.00 43.42 41.43 2wr5 n LEU 193 CO 0.29 0.83 0.05 -1.22 -1.22 0.00 0.00 177.39 176.12 2wr5 n TYR 194 N -3.27 0.00 0.00 -1.77 4.02 -0.15 -1.10 117.16 114.89 2wr5 n TYR 194 Ca -0.38 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.51 2wr5 n TYR 194 Cb 1.03 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.35 2wr5 n TYR 194 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2wr5 n GLN 195 N -0.54 0.00 -3.98 -0.72 1.13 0.40 -4.57 117.38 109.10 2wr5 n GLN 195 Ca 0.00 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.85 2wr5 n GLN 195 Cb 0.02 -0.53 -0.03 0.00 0.11 0.00 0.00 30.24 29.80 2wr5 n GLN 195 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2wr5 s ASN 196 N 0.00 5.74 -0.11 1.08 0.02 -1.26 -4.81 114.94 115.60 2wr5 s ASN 196 Ca 0.00 -0.19 -0.12 0.00 -1.02 0.00 0.00 52.86 51.53 2wr5 s ASN 196 Cb 0.00 -1.45 -0.04 0.00 0.02 0.00 0.00 41.25 39.78 2wr5 s ASN 196 CO 0.00 -0.13 -0.23 0.52 0.02 0.00 0.00 177.10 177.28 2wr5 n VAL 197 N -1.31 1.04 -1.22 1.60 0.31 -1.26 -4.64 118.33 112.85 2wr5 n VAL 197 Ca -0.07 0.25 -0.36 0.00 -0.01 0.00 0.00 64.34 64.15 2wr5 n VAL 197 Cb 0.58 -2.05 -0.02 0.00 -0.91 0.00 0.00 33.84 31.43 2wr5 n VAL 197 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wr5 n GLY 198 N 1.61 3.68 3.92 2.92 0.00 -1.26 -4.92 105.19 111.15 2wr5 n GLY 198 Ca -0.09 -1.30 -0.29 0.00 0.00 0.00 0.00 46.02 44.34 2wr5 n GLY 198 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wr5 s THR 199 N 3.26 2.02 0.02 2.61 -4.23 -1.26 -5.03 115.64 113.02 2wr5 s THR 199 Ca 0.54 -0.04 -0.28 0.00 -1.18 0.00 0.00 61.69 60.73 2wr5 s THR 199 Cb 0.14 -2.98 0.08 0.00 1.34 0.00 0.00 72.50 71.08 2wr5 s THR 199 CO -0.03 0.00 0.69 -0.72 -0.54 0.00 0.00 174.62 174.03 2wr5 s TYR 200 N -3.72 -0.57 -0.08 3.99 -0.85 -1.26 -4.43 117.35 110.43 2wr5 s TYR 200 Ca 0.69 0.75 0.04 0.00 -0.52 0.00 0.00 57.07 58.03 2wr5 s TYR 200 Cb -0.07 0.47 0.00 0.00 0.38 0.00 0.00 41.96 42.75 2wr5 s TYR 200 CO 0.51 -0.67 -0.22 0.08 -1.52 0.00 0.00 175.55 173.74 2wr5 s VAL 201 N -2.20 1.86 -0.08 -3.49 1.01 0.08 -2.43 120.40 115.15 2wr5 s VAL 201 Ca -0.05 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.03 2wr5 s VAL 201 Cb -0.00 -1.61 0.02 0.00 0.00 0.00 0.00 36.38 34.78 2wr5 s VAL 201 CO 0.00 0.52 -0.09 -0.55 0.00 0.00 0.00 175.10 174.98 2wr5 s SER 202 N 0.31 1.73 -0.01 3.32 0.15 -0.01 0.09 113.70 119.28 2wr5 s SER 202 Ca -0.15 -0.26 0.02 0.00 0.70 0.00 0.00 55.95 56.26 2wr5 s SER 202 Cb -0.17 -0.75 -0.00 0.00 -1.71 0.00 0.00 66.02 63.39 2wr5 s SER 202 CO 0.07 -0.03 -0.08 -0.69 1.20 0.00 0.00 173.24 173.71 2wr5 s VAL 203 N 1.05 0.65 -0.18 4.45 1.01 -0.06 -1.40 120.40 125.92 2wr5 s VAL 203 Ca -0.08 -0.33 -0.18 0.00 0.00 0.00 0.00 61.98 61.40 2wr5 s VAL 203 Cb -0.14 -0.56 0.05 0.00 0.00 0.00 0.00 36.38 35.72 2wr5 s VAL 203 CO -0.01 0.19 0.51 -0.83 0.00 0.00 0.00 175.10 174.96 2wr5 s GLY 204 N -0.03 -0.38 0.00 4.51 0.00 -0.83 -0.51 107.32 110.08 2wr5 s GLY 204 Ca 0.01 1.38 0.00 0.00 0.00 0.00 0.00 44.72 46.11 2wr5 s GLY 204 CO -0.00 1.17 0.00 -1.30 0.00 0.00 0.00 173.10 172.97 2wr5 n THR 205 N 2.66 0.00 0.04 0.90 -2.24 -0.51 -0.08 114.28 115.05 2wr5 n THR 205 Ca -0.14 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.56 2wr5 n THR 205 Cb 0.56 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.87 2wr5 n THR 205 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2wr5 h SER 206 N 0.00 0.48 0.00 3.42 0.02 -1.99 -3.38 113.55 112.10 2wr5 h SER 206 Ca 0.00 -0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 60.65 2wr5 h SER 206 Cb 0.00 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 2wr5 h SER 206 CO 0.00 0.96 -1.13 0.35 -1.14 0.00 0.00 176.83 175.86 2wr5 n THR 207 N -3.92 0.13 -2.72 -2.27 -2.24 -1.26 -5.01 114.28 96.99 2wr5 n THR 207 Ca -0.03 -0.08 -0.32 0.00 -2.27 0.00 0.00 64.05 61.35 2wr5 n THR 207 Cb 0.62 -0.91 -0.04 0.00 -2.10 0.00 0.00 70.33 67.89 2wr5 n THR 207 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2wr5 s LEU 208 N -4.25 3.80 -0.37 3.22 2.96 -1.26 -5.04 118.68 117.74 2wr5 s LEU 208 Ca -0.01 1.39 -0.03 0.00 -0.22 0.00 0.00 54.13 55.26 2wr5 s LEU 208 Cb 0.01 -4.28 0.20 0.00 0.50 0.00 0.00 46.19 42.62 2wr5 s LEU 208 CO 0.08 -0.44 0.95 0.21 -1.32 0.00 0.00 176.35 175.83 2wr5 s ASN 209 N -2.87 -0.69 -0.03 3.68 2.47 -1.25 -1.42 114.94 114.83 2wr5 s ASN 209 Ca 0.56 -0.57 0.02 0.00 0.42 0.00 0.00 52.86 53.29 2wr5 s ASN 209 Cb -0.10 0.89 0.01 0.00 -1.45 0.00 0.00 41.25 40.60 2wr5 s ASN 209 CO 0.27 -0.05 -0.07 -0.75 -3.72 0.00 0.00 177.10 172.78 2wr5 s LYS 210 N 1.46 0.85 -0.17 0.43 2.20 0.33 -5.02 119.74 119.82 2wr5 s LYS 210 Ca 0.20 -0.21 -0.00 0.00 -0.36 0.00 0.00 55.97 55.60 2wr5 s LYS 210 Cb 0.05 -0.81 0.04 0.00 -1.51 0.00 0.00 37.83 35.59 2wr5 s LYS 210 CO -0.11 0.03 -0.07 0.50 -0.36 0.00 0.00 175.35 175.35 2wr5 s ARG 211 N 0.44 1.64 0.07 4.03 3.52 -1.26 -0.88 118.95 126.51 2wr5 s ARG 211 Ca -0.06 -0.59 0.03 0.00 -0.13 0.00 0.00 55.73 54.97 2wr5 s ARG 211 Cb -0.10 -2.10 -0.04 0.00 -1.56 0.00 0.00 34.95 31.15 2wr5 s ARG 211 CO 0.00 -0.41 0.06 -1.12 -0.81 0.00 0.00 175.30 173.02 2wr5 s SER 212 N 1.57 5.45 0.03 -2.12 0.01 0.11 -4.94 113.70 113.81 2wr5 s SER 212 Ca 0.01 -0.02 0.06 0.00 1.31 0.00 0.00 55.95 57.31 2wr5 s SER 212 Cb -0.15 -1.45 -0.02 0.00 0.21 0.00 0.00 66.02 64.61 2wr5 s SER 212 CO -0.08 0.19 -0.19 0.27 0.41 0.00 0.00 173.24 173.84 2wr5 s ILE 213 N -1.34 1.50 0.15 1.44 -0.00 -1.26 -0.74 121.20 120.94 2wr5 s ILE 213 Ca 0.27 -1.09 -0.31 0.00 -0.00 0.00 0.00 60.65 59.52 2wr5 s ILE 213 Cb -0.12 -1.30 -0.11 0.00 -0.00 0.00 0.00 42.46 40.93 2wr5 s ILE 213 CO 0.20 0.18 1.74 -2.84 -0.00 0.00 0.00 174.94 174.22 2wr5 s PRO 214 N -1.07 4.15 -0.90 0.37 0.02 -1.26 -4.97 135.00 131.35 2wr5 s PRO 214 Ca 0.06 2.53 -0.13 0.00 0.02 0.00 0.00 61.00 63.48 2wr5 s PRO 214 Cb -0.08 -3.37 0.23 0.00 0.02 0.00 0.00 34.50 31.30 2wr5 s PRO 214 CO 0.01 -0.77 0.85 -1.21 -0.33 0.00 0.00 177.00 175.56 2wr5 s GLU 215 N 2.01 3.75 -0.02 5.54 2.02 -1.26 -5.05 118.70 125.70 2wr5 s GLU 215 Ca 0.77 -2.64 -0.30 0.00 0.02 0.00 0.00 54.97 52.81 2wr5 s GLU 215 Cb -0.46 -4.46 -0.04 0.00 0.10 0.00 0.00 34.13 29.27 2wr5 s GLU 215 CO 0.34 -1.28 1.17 0.42 0.02 0.00 0.00 175.26 175.92 2wr5 s ILE 216 N -0.16 4.28 -0.13 -1.63 1.09 -1.26 -4.79 121.20 118.60 2wr5 s ILE 216 Ca 0.21 1.62 -0.29 0.00 -1.10 0.00 0.00 60.65 61.09 2wr5 s ILE 216 Cb -0.10 -4.04 0.08 0.00 -1.06 0.00 0.00 42.46 37.34 2wr5 s ILE 216 CO -0.09 0.05 0.75 0.00 -0.10 0.00 0.00 174.94 175.55 2wr5 s ALA 217 N 1.75 -1.80 -0.11 9.38 0.00 -1.25 -4.99 121.76 124.74 2wr5 s ALA 217 Ca 0.56 1.56 -0.29 0.00 0.00 0.00 0.00 51.96 53.78 2wr5 s ALA 217 Cb -0.25 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.37 2wr5 s ALA 217 CO 0.24 -0.35 1.42 0.99 0.00 0.00 0.00 175.76 178.06 2wr5 s THR 218 N -0.71 3.98 0.10 0.00 2.01 -1.25 -4.61 115.64 115.16 2wr5 s THR 218 Ca -0.06 1.20 0.04 0.00 0.31 0.00 0.00 61.69 63.18 2wr5 s THR 218 Cb -0.02 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 2wr5 s THR 218 CO 0.06 -0.09 -0.12 -0.13 -0.69 0.00 0.00 174.62 173.65 2wr5 s ARG 219 N 3.56 0.90 0.85 4.92 0.52 -1.26 -5.13 118.95 123.31 2wr5 s ARG 219 Ca 0.62 -1.17 -0.11 0.00 -0.52 0.00 0.00 55.73 54.55 2wr5 s ARG 219 Cb -0.27 -0.67 0.11 0.00 0.52 0.00 0.00 34.95 34.65 2wr5 s ARG 219 CO 0.21 0.12 1.15 -2.14 0.02 0.00 0.00 175.30 174.66 2wr5 s PRO 220 N -2.68 1.44 -0.04 3.54 0.02 -1.26 -4.75 135.00 131.27 2wr5 s PRO 220 Ca 0.06 1.53 -0.27 0.00 0.02 0.00 0.00 61.00 62.34 2wr5 s PRO 220 Cb -0.04 -1.78 -0.03 0.00 0.02 0.00 0.00 34.50 32.67 2wr5 s PRO 220 CO 0.01 -2.31 0.87 0.15 -0.33 0.00 0.00 177.00 175.39 2wr5 s LYS 221 N -4.54 4.49 -0.16 5.54 1.02 -1.26 -4.60 119.74 120.22 2wr5 s LYS 221 Ca 0.67 1.20 -0.01 0.00 0.02 0.00 0.00 55.97 57.85 2wr5 s LYS 221 Cb -0.23 -3.47 -0.01 0.00 -0.52 0.00 0.00 37.83 33.60 2wr5 s LYS 221 CO 0.55 -0.05 -0.11 0.08 -0.92 0.00 0.00 175.35 174.90 2wr5 s VAL 222 N 1.10 3.04 -1.49 3.17 1.01 -0.12 -4.56 120.40 122.54 2wr5 s VAL 222 Ca 0.46 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.67 2wr5 s VAL 222 Cb -0.19 -2.31 0.07 0.00 0.00 0.00 0.00 36.38 33.95 2wr5 s VAL 222 CO 0.23 0.50 0.90 0.59 0.00 0.00 0.00 175.10 177.32 2wr5 n ASN 223 N 3.99 -4.94 0.00 3.32 3.02 -1.26 -1.49 115.26 117.90 2wr5 n ASN 223 Ca -0.18 -0.66 0.00 0.00 -0.03 0.00 0.00 54.58 53.70 2wr5 n ASN 223 Cb 0.52 -3.96 0.00 0.00 -0.61 0.00 0.00 39.78 35.73 2wr5 n ASN 223 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wr5 n GLY 224 N -1.63 0.38 3.27 7.41 0.00 -1.26 -4.61 105.19 108.75 2wr5 n GLY 224 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 2wr5 n GLY 224 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wr5 s GLN 225 N -0.71 2.87 0.03 1.61 -1.52 -0.56 -4.99 119.66 116.39 2wr5 s GLN 225 Ca 0.00 -0.86 0.24 0.00 -1.95 0.00 0.00 55.36 52.79 2wr5 s GLN 225 Cb 0.00 -2.29 0.38 0.00 -0.22 0.00 0.00 33.01 30.88 2wr5 s GLN 225 CO 0.00 0.28 1.32 0.41 -0.25 0.00 0.00 175.29 177.05 2wr5 n GLY 226 N 3.24 -1.26 3.91 3.09 0.00 -1.26 -0.95 105.19 111.95 2wr5 n GLY 226 Ca -0.18 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.20 2wr5 n GLY 226 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wr5 s GLY 227 N -3.22 1.61 0.05 -0.02 0.00 -1.26 -4.49 107.32 99.99 2wr5 s GLY 227 Ca 0.09 -0.69 -0.03 0.00 0.00 0.00 0.00 44.72 44.08 2wr5 s GLY 227 CO 0.73 -0.22 0.04 0.50 0.00 0.00 0.00 173.10 174.14 2wr5 s ARG 228 N -5.50 0.60 -0.08 2.90 1.81 -0.72 -4.56 118.95 113.40 2wr5 s ARG 228 Ca 0.61 -0.97 0.03 0.00 -1.72 0.00 0.00 55.73 53.68 2wr5 s ARG 228 Cb -0.11 0.22 0.01 0.00 -0.45 0.00 0.00 34.95 34.62 2wr5 s ARG 228 CO 0.48 -0.14 -0.16 -1.64 -0.68 0.00 0.00 175.30 173.17 2wr5 s MET 229 N -3.21 2.09 -0.26 3.54 -1.94 0.54 -0.27 119.30 119.78 2wr5 s MET 229 Ca 0.00 -0.55 -0.06 0.00 -1.71 0.00 0.00 55.69 53.38 2wr5 s MET 229 Cb 0.03 -1.66 -0.00 0.00 2.01 0.00 0.00 34.83 35.20 2wr5 s MET 229 CO -0.07 0.07 0.03 -2.00 -0.01 0.00 0.00 175.02 173.04 2wr5 s GLU 230 N 0.57 3.28 0.02 2.03 2.12 -0.67 -2.24 118.70 123.81 2wr5 s GLU 230 Ca -0.16 -0.71 -0.03 0.00 0.36 0.00 0.00 54.97 54.43 2wr5 s GLU 230 Cb -0.16 -3.23 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 2wr5 s GLU 230 CO 0.05 -0.31 0.22 -0.06 -0.54 0.00 0.00 175.26 174.62 2wr5 s PHE 231 N 1.51 3.54 0.30 5.30 0.40 -1.06 -1.45 117.98 126.52 2wr5 s PHE 231 Ca 0.04 0.39 0.03 0.00 -0.60 0.00 0.00 56.93 56.78 2wr5 s PHE 231 Cb -0.16 -1.86 -0.05 0.00 0.51 0.00 0.00 43.02 41.46 2wr5 s PHE 231 CO 0.01 0.61 0.09 -1.12 0.70 0.00 0.00 175.22 175.50 2wr5 s SER 232 N -2.08 1.88 0.05 1.36 0.01 -0.04 -0.91 113.70 113.96 2wr5 s SER 232 Ca 0.30 -1.42 -0.17 0.00 1.31 0.00 0.00 55.95 55.98 2wr5 s SER 232 Cb -0.13 0.09 0.03 0.00 0.21 0.00 0.00 66.02 66.23 2wr5 s SER 232 CO 0.21 -0.70 0.38 -1.66 0.41 0.00 0.00 173.24 171.88 2wr5 s TRP 233 N -3.49 -0.22 0.05 2.43 1.48 -1.26 -1.99 118.94 115.94 2wr5 s TRP 233 Ca 0.36 0.13 -0.09 0.00 -1.06 0.00 0.00 56.10 55.44 2wr5 s TRP 233 Cb 0.08 0.19 0.00 0.00 -1.16 0.00 0.00 33.47 32.57 2wr5 s TRP 233 CO 0.15 -0.56 0.18 -0.08 -4.06 0.00 0.00 176.95 172.58 2wr5 s THR 234 N -2.58 0.12 -0.29 0.66 -1.32 -0.45 -5.00 115.64 106.78 2wr5 s THR 234 Ca -0.05 -0.95 -0.15 0.00 -1.21 0.00 0.00 61.69 59.33 2wr5 s THR 234 Cb -0.01 -0.96 -0.03 0.00 -1.51 0.00 0.00 72.50 69.99 2wr5 s THR 234 CO -0.03 -0.53 0.35 -0.76 -2.21 0.00 0.00 174.62 171.45 2wr5 s LEU 235 N -2.19 4.14 -0.34 9.08 1.43 -1.26 -1.44 118.68 128.11 2wr5 s LEU 235 Ca -0.04 0.12 -0.19 0.00 -1.03 0.00 0.00 54.13 52.99 2wr5 s LEU 235 Cb -0.00 -2.37 -0.01 0.00 0.03 0.00 0.00 46.19 43.84 2wr5 s LEU 235 CO -0.05 -0.22 0.55 -0.22 0.23 0.00 0.00 176.35 176.65 2wr5 s LEU 236 N 2.03 4.27 0.75 1.79 2.96 0.19 -4.89 118.68 125.78 2wr5 s LEU 236 Ca 0.13 0.12 -0.11 0.00 -0.22 0.00 0.00 54.13 54.05 2wr5 s LEU 236 Cb -0.16 -2.66 0.05 0.00 0.50 0.00 0.00 46.19 43.92 2wr5 s LEU 236 CO 0.11 -0.48 1.10 -0.70 -1.32 0.00 0.00 176.35 175.05 2wr5 s GLU 237 N 2.47 2.36 0.39 1.98 2.56 -1.26 -1.57 118.70 125.62 2wr5 s GLU 237 Ca 0.21 1.22 -0.27 0.00 0.00 0.00 0.00 54.97 56.13 2wr5 s GLU 237 Cb -0.15 -1.91 -0.10 0.00 2.00 0.00 0.00 34.13 33.97 2wr5 s GLU 237 CO 0.13 -1.57 1.40 0.95 -0.56 0.00 0.00 175.26 175.61 2wr5 s THR 238 N -2.78 2.31 -0.47 -1.70 -4.23 -1.26 -1.98 115.64 105.53 2wr5 s THR 238 Ca 0.62 0.30 0.00 0.00 -1.18 0.00 0.00 61.69 61.43 2wr5 s THR 238 Cb -0.18 -3.18 0.00 0.00 1.34 0.00 0.00 72.50 70.48 2wr5 s THR 238 CO 0.53 0.06 0.00 0.79 -0.54 0.00 0.00 174.62 175.46 2wr5 n TRP 239 N 0.33 0.00 -3.87 3.99 7.02 0.73 -4.98 117.44 120.67 2wr5 n TRP 239 Ca 0.02 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.28 2wr5 n TRP 239 Cb 0.41 -1.92 -0.02 0.00 -2.42 0.00 0.00 31.31 27.36 2wr5 n TRP 239 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 2wr5 s ASP 240 N -2.22 6.32 0.04 -0.99 3.68 -0.84 -4.78 116.67 117.89 2wr5 s ASP 240 Ca 0.00 0.15 0.08 0.00 2.13 0.00 0.00 52.55 54.91 2wr5 s ASP 240 Cb 0.00 -1.90 -0.03 0.00 -1.45 0.00 0.00 42.92 39.54 2wr5 s ASP 240 CO 0.00 -0.09 -0.21 0.54 0.13 0.00 0.00 175.17 175.54 2wr5 s VAL 241 N -2.00 2.57 -0.14 1.11 0.11 -1.26 -0.68 120.40 120.10 2wr5 s VAL 241 Ca 0.35 -1.27 -0.02 0.00 -2.93 0.00 0.00 61.98 58.11 2wr5 s VAL 241 Cb -0.09 -2.06 -0.02 0.00 -1.53 0.00 0.00 36.38 32.67 2wr5 s VAL 241 CO 0.30 0.34 -0.07 -0.51 -3.33 0.00 0.00 175.10 171.83 2wr5 s ILE 242 N -0.89 3.64 -0.16 7.04 2.07 -0.79 -4.30 121.20 127.81 2wr5 s ILE 242 Ca 0.14 -0.45 -0.04 0.00 -1.41 0.00 0.00 60.65 58.88 2wr5 s ILE 242 Cb -0.10 -2.57 -0.03 0.00 0.13 0.00 0.00 42.46 39.89 2wr5 s ILE 242 CO 0.04 0.51 -0.02 0.20 -1.91 0.00 0.00 174.94 173.76 2wr5 s ASN 243 N 0.28 4.88 -0.10 4.50 0.01 0.88 -2.20 114.94 123.20 2wr5 s ASN 243 Ca -0.05 -0.12 -0.02 0.00 -0.71 0.00 0.00 52.86 51.96 2wr5 s ASN 243 Cb -0.14 -1.81 -0.03 0.00 0.41 0.00 0.00 41.25 39.68 2wr5 s ASN 243 CO 0.04 0.16 -0.02 -0.36 -1.51 0.00 0.00 177.10 175.40 2wr5 s PHE 244 N 0.44 3.08 -0.09 2.20 0.40 -0.27 -1.96 117.98 121.78 2wr5 s PHE 244 Ca -0.03 0.06 -0.05 0.00 -0.60 0.00 0.00 56.93 56.32 2wr5 s PHE 244 Cb -0.14 -1.81 0.04 0.00 0.51 0.00 0.00 43.02 41.62 2wr5 s PHE 244 CO 0.03 0.34 0.20 -2.00 0.70 0.00 0.00 175.22 174.48 2wr5 s GLU 245 N -0.61 0.17 -0.17 0.44 2.12 -0.49 -2.77 118.70 117.39 2wr5 s GLU 245 Ca 0.10 0.44 -0.19 0.00 0.36 0.00 0.00 54.97 55.68 2wr5 s GLU 245 Cb -0.12 -0.11 0.05 0.00 0.26 0.00 0.00 34.13 34.21 2wr5 s GLU 245 CO 0.02 -0.15 0.51 0.45 -0.54 0.00 0.00 175.26 175.56 2wr5 s SER 246 N 1.07 -0.52 0.00 -1.70 0.15 0.14 -0.83 113.70 112.00 2wr5 s SER 246 Ca -0.08 0.96 0.20 0.00 0.70 0.00 0.00 55.95 57.73 2wr5 s SER 246 Cb -0.10 0.98 0.40 0.00 -1.71 0.00 0.00 66.02 65.59 2wr5 s SER 246 CO -0.06 -0.22 1.34 0.35 1.20 0.00 0.00 173.24 175.84 2wr5 n THR 247 N 2.59 0.58 0.00 6.45 -2.24 -1.02 -0.73 114.28 119.92 2wr5 n THR 247 Ca -0.14 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.84 2wr5 n THR 247 Cb 0.56 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 2wr5 n THR 247 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr5 n GLY 248 N 1.29 3.80 1.55 3.38 0.00 -1.26 -4.80 105.19 109.16 2wr5 n GLY 248 Ca 0.18 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2wr5 n GLY 248 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wr5 n ASN 249 N 0.00 -0.95 -4.72 1.61 3.02 -1.26 -4.18 115.26 108.77 2wr5 n ASN 249 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 2wr5 n ASN 249 Cb 0.00 -0.16 -0.03 0.00 -0.61 0.00 0.00 39.78 38.98 2wr5 n ASN 249 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2wr5 s LEU 250 N 0.00 4.42 -0.43 3.41 2.96 -1.26 -0.55 118.68 127.23 2wr5 s LEU 250 Ca 0.00 1.93 -0.12 0.00 -0.22 0.00 0.00 54.13 55.71 2wr5 s LEU 250 Cb 0.00 -3.59 0.07 0.00 0.50 0.00 0.00 46.19 43.17 2wr5 s LEU 250 CO 0.00 -0.29 0.30 -0.63 -1.32 0.00 0.00 176.35 174.41 2wr5 s ILE 251 N 0.51 4.69 0.20 6.68 -1.09 0.14 -3.49 121.20 128.85 2wr5 s ILE 251 Ca 0.53 -1.17 -0.21 0.00 -2.23 0.00 0.00 60.65 57.57 2wr5 s ILE 251 Cb -0.27 -3.80 -0.08 0.00 -1.58 0.00 0.00 42.46 36.73 2wr5 s ILE 251 CO 0.31 -0.49 0.73 0.00 -1.23 0.00 0.00 174.94 174.26 2wr5 s ALA 252 N 1.53 3.42 0.55 9.38 0.00 -0.24 -0.59 121.76 135.82 2wr5 s ALA 252 Ca 0.03 0.21 -0.18 0.00 0.00 0.00 0.00 51.96 52.02 2wr5 s ALA 252 Cb -0.23 -2.85 -0.05 0.00 0.00 0.00 0.00 23.12 19.99 2wr5 s ALA 252 CO 0.05 0.32 1.09 -1.25 0.00 0.00 0.00 175.76 175.97 2wr5 s PRO 253 N -1.75 3.39 -0.13 0.00 0.05 -1.24 -0.22 135.00 135.09 2wr5 s PRO 253 Ca 0.41 1.44 0.10 0.00 0.05 0.00 0.00 61.00 62.99 2wr5 s PRO 253 Cb -0.18 -2.03 -0.15 0.00 0.05 0.00 0.00 34.50 32.19 2wr5 s PRO 253 CO 0.22 -0.79 0.01 -1.91 0.05 0.00 0.00 177.00 174.58 2wr5 n GLU 254 N -1.50 1.66 -4.35 4.56 2.13 -0.01 -4.66 120.64 118.47 2wr5 n GLU 254 Ca 0.10 0.01 -0.27 0.00 0.66 0.00 0.00 57.16 57.66 2wr5 n GLU 254 Cb 0.52 -1.33 -0.10 0.00 0.27 0.00 0.00 31.44 30.80 2wr5 n GLU 254 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2wr5 s TYR 255 N -2.31 2.49 0.39 4.31 1.51 -1.23 -1.54 117.35 120.98 2wr5 s TYR 255 Ca -0.09 -0.28 0.07 0.00 -1.01 0.00 0.00 57.07 55.76 2wr5 s TYR 255 Cb 0.04 -1.23 -0.08 0.00 -0.11 0.00 0.00 41.96 40.58 2wr5 s TYR 255 CO 0.49 0.50 -0.01 0.20 -1.11 0.00 0.00 175.55 175.62 2wr5 s GLY 256 N -2.71 2.43 -0.26 0.71 0.00 0.05 -4.68 107.32 102.87 2wr5 s GLY 256 Ca 0.23 -2.26 0.01 0.00 0.00 0.00 0.00 44.72 42.70 2wr5 s GLY 256 CO 0.13 -2.08 -0.03 -1.36 0.00 0.00 0.00 173.10 169.76 2wr5 s PHE 257 N -2.71 2.60 0.25 1.90 0.40 -0.13 -1.02 117.98 119.27 2wr5 s PHE 257 Ca 0.35 -1.98 -0.31 0.00 -0.60 0.00 0.00 56.93 54.39 2wr5 s PHE 257 Cb 0.09 -1.81 -0.12 0.00 0.51 0.00 0.00 43.02 41.69 2wr5 s PHE 257 CO 0.18 -0.82 1.56 1.63 0.70 0.00 0.00 175.22 178.47 2wr5 n LYS 258 N 4.61 2.47 -3.81 0.44 5.02 0.16 -0.83 118.16 126.23 2wr5 n LYS 258 Ca -0.09 0.88 -0.12 0.00 -2.02 0.00 0.00 58.31 56.96 2wr5 n LYS 258 Cb 0.43 -2.64 -0.11 0.00 -0.02 0.00 0.00 35.03 32.70 2wr5 n LYS 258 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2wr5 s ILE 259 N 0.26 0.04 0.03 -0.18 2.07 -0.44 -1.57 121.20 121.41 2wr5 s ILE 259 Ca 0.68 -0.30 -0.04 0.00 -1.41 0.00 0.00 60.65 59.58 2wr5 s ILE 259 Cb -0.56 -0.42 -0.01 0.00 0.13 0.00 0.00 42.46 41.60 2wr5 s ILE 259 CO 0.45 -0.17 0.05 -0.44 -1.91 0.00 0.00 174.94 172.93 2wr5 s SER 260 N -0.62 0.19 0.01 4.50 0.01 -1.03 -3.97 113.70 112.79 2wr5 s SER 260 Ca -0.07 -0.50 0.02 0.00 1.31 0.00 0.00 55.95 56.71 2wr5 s SER 260 Cb -0.04 0.18 -0.01 0.00 0.21 0.00 0.00 66.02 66.36 2wr5 s SER 260 CO 0.01 -0.42 -0.07 -0.54 0.41 0.00 0.00 173.24 172.63 2wr5 s LYS 261 N -2.11 0.55 -0.18 12.44 1.02 -1.26 0.95 119.74 131.14 2wr5 s LYS 261 Ca -0.09 -0.39 -0.23 0.00 0.02 0.00 0.00 55.97 55.28 2wr5 s LYS 261 Cb -0.04 -0.49 -0.20 0.00 -0.52 0.00 0.00 37.83 36.58 2wr5 s LYS 261 CO -0.03 0.12 0.36 0.07 -0.92 0.00 0.00 175.35 174.96 2wr5 h ARG 262 N 5.56 0.00 0.00 1.68 -0.00 -1.91 -3.48 114.38 116.23 2wr5 h ARG 262 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.67 2wr5 h ARG 262 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.16 2wr5 h ARG 262 CO 0.47 0.93 0.00 0.41 -0.00 0.00 0.00 179.97 181.79 2wr5 n GLY 263 N 1.50 3.78 3.77 0.08 0.00 -1.26 -5.19 105.19 107.88 2wr5 n GLY 263 Ca -0.24 -0.64 -0.24 0.00 0.00 0.00 0.00 46.02 44.90 2wr5 n GLY 263 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wr5 s SER 264 N 1.79 4.56 0.00 1.61 0.01 -1.26 -4.72 113.70 115.68 2wr5 s SER 264 Ca 0.00 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.25 2wr5 s SER 264 Cb 0.00 -0.49 0.00 0.00 0.21 0.00 0.00 66.02 65.74 2wr5 s SER 264 CO 0.00 -0.57 0.00 -0.24 0.41 0.00 0.00 173.24 172.84 2wr5 n SER 265 N -1.31 1.98 -3.92 2.44 2.88 -1.26 -4.91 113.62 109.52 2wr5 n SER 265 Ca -0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 2wr5 n SER 265 Cb 0.64 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 64.01 2wr5 n SER 265 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2wr5 s GLY 266 N 0.00 0.18 -0.15 0.46 0.00 -1.26 -4.83 107.32 101.72 2wr5 s GLY 266 Ca 0.00 -0.66 -0.14 0.00 0.00 0.00 0.00 44.72 43.92 2wr5 s GLY 266 CO 0.00 -0.81 0.30 -0.42 0.00 0.00 0.00 173.10 172.16 2wr5 s ILE 267 N -3.28 5.30 -0.27 0.90 1.01 -1.26 -2.35 121.20 121.24 2wr5 s ILE 267 Ca 0.01 0.56 -0.09 0.00 0.00 0.00 0.00 60.65 61.13 2wr5 s ILE 267 Cb 0.03 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 2wr5 s ILE 267 CO -0.08 0.40 0.12 -0.32 0.00 0.00 0.00 174.94 175.07 2wr5 s MET 268 N 0.37 3.72 -0.50 2.79 -2.45 0.15 -4.87 119.30 118.51 2wr5 s MET 268 Ca 0.17 -0.45 -0.25 0.00 -1.25 0.00 0.00 55.69 53.92 2wr5 s MET 268 Cb -0.13 -3.48 0.03 0.00 1.25 0.00 0.00 34.83 32.50 2wr5 s MET 268 CO 0.04 -0.21 0.92 0.15 1.05 0.00 0.00 175.02 176.96 2wr5 s LYS 269 N 1.67 3.42 0.27 4.11 3.01 -1.26 -2.36 119.74 128.60 2wr5 s LYS 269 Ca 0.06 -0.07 -0.20 0.00 -1.01 0.00 0.00 55.97 54.76 2wr5 s LYS 269 Cb -0.16 -3.99 0.02 0.00 -1.01 0.00 0.00 37.83 32.70 2wr5 s LYS 269 CO 0.07 -1.33 0.69 -0.08 0.51 0.00 0.00 175.35 175.20 2wr5 s THR 270 N 3.79 0.00 -0.05 2.17 -1.32 -0.68 -4.82 115.64 114.73 2wr5 s THR 270 Ca 0.33 -1.01 0.16 0.00 -1.21 0.00 0.00 61.69 59.96 2wr5 s THR 270 Cb -0.11 -1.98 -0.24 0.00 -1.51 0.00 0.00 72.50 68.65 2wr5 s THR 270 CO 0.23 -0.00 0.30 -0.62 -2.21 0.00 0.00 174.62 172.32 2wr5 n GLU 271 N -0.45 0.69 -0.17 7.08 -0.58 -1.26 -4.20 120.64 121.75 2wr5 n GLU 271 Ca -0.04 -0.12 -0.23 0.00 -0.42 0.00 0.00 57.16 56.34 2wr5 n GLU 271 Cb 0.60 -1.39 0.22 0.00 -0.57 0.00 0.00 31.44 30.30 2wr5 n GLU 271 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2wr5 n LYS 272 N -2.16 -4.20 -3.76 3.49 5.02 -1.26 -5.07 118.16 110.22 2wr5 n LYS 272 Ca -0.07 -1.11 -0.12 0.00 -2.02 0.00 0.00 58.31 54.99 2wr5 n LYS 272 Cb 0.54 -1.45 -0.12 0.00 -0.02 0.00 0.00 35.03 33.97 2wr5 n LYS 272 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wr5 s THR 273 N -1.83 -0.02 0.24 -0.18 -4.23 -1.26 -5.07 115.64 103.29 2wr5 s THR 273 Ca 0.51 0.08 -0.27 0.00 -1.18 0.00 0.00 61.69 60.83 2wr5 s THR 273 Cb -0.09 -0.36 -0.17 0.00 1.34 0.00 0.00 72.50 73.22 2wr5 s THR 273 CO 0.43 0.03 0.47 -0.11 -0.54 0.00 0.00 174.62 174.90 2wr5 n LEU 274 N 3.64 -1.37 -0.27 4.79 0.00 -1.26 -4.55 117.00 117.97 2wr5 n LEU 274 Ca -0.19 1.07 0.01 0.00 0.00 0.00 0.00 56.01 56.90 2wr5 n LEU 274 Cb 0.55 -0.96 0.02 0.00 0.00 0.00 0.00 43.42 43.04 2wr5 n LEU 274 CO 0.16 -3.13 0.31 1.21 0.00 0.00 0.00 177.39 175.94 2wr5 n GLU 275 N 1.04 0.37 -2.50 1.96 2.13 -0.68 -4.96 120.64 118.00 2wr5 n GLU 275 Ca 0.16 -1.10 -0.03 0.00 0.66 0.00 0.00 57.16 56.85 2wr5 n GLU 275 Cb 0.28 -0.66 0.00 0.00 0.27 0.00 0.00 31.44 31.33 2wr5 n GLU 275 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2wr5 n ASN 276 N -0.22 -6.65 0.00 4.31 5.15 -1.26 -4.98 115.26 111.61 2wr5 n ASN 276 Ca 0.02 0.73 0.00 0.00 -0.60 0.00 0.00 54.58 54.73 2wr5 n ASN 276 Cb 0.61 -4.39 0.00 0.00 -0.53 0.00 0.00 39.78 35.46 2wr5 n ASN 276 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wr5 s GLU 278 N 4.34 0.77 0.11 0.00 2.56 -1.26 -4.22 118.70 121.00 2wr5 s GLU 278 Ca 0.00 0.64 -0.10 0.00 0.00 0.00 0.00 54.97 55.51 2wr5 s GLU 278 Cb 0.00 0.37 0.00 0.00 2.00 0.00 0.00 34.13 36.50 2wr5 s GLU 278 CO 0.00 -0.15 0.26 0.99 -0.56 0.00 0.00 175.26 175.80 2wr5 s THR 279 N -0.16 0.11 -0.81 -1.70 2.01 -1.07 -4.88 115.64 109.13 2wr5 s THR 279 Ca -0.02 -1.09 0.16 0.00 0.31 0.00 0.00 61.69 61.05 2wr5 s THR 279 Cb -0.03 -1.41 -0.16 0.00 0.01 0.00 0.00 72.50 70.91 2wr5 s THR 279 CO 0.01 -0.50 0.69 2.29 -0.69 0.00 0.00 174.62 176.41 2wr5 n LYS 280 N -0.13 1.80 -3.49 4.92 0.00 -1.26 -2.39 118.16 117.61 2wr5 n LYS 280 Ca -0.14 -0.08 -0.07 0.00 -0.00 0.00 0.00 58.31 58.02 2wr5 n LYS 280 Cb 0.63 -1.25 -0.08 0.00 -0.00 0.00 0.00 35.03 34.33 2wr5 n LYS 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wr5 s GLN 282 N 2.62 2.82 0.18 0.00 2.00 -0.47 -0.74 119.66 126.07 2wr5 s GLN 282 Ca 0.06 -0.58 0.09 0.00 -2.00 0.00 0.00 55.36 52.92 2wr5 s GLN 282 Cb -0.14 -2.58 -0.04 0.00 0.80 0.00 0.00 33.01 31.05 2wr5 s GLN 282 CO -0.15 0.59 -0.18 0.95 -0.50 0.00 0.00 175.29 176.00 2wr5 s THR 283 N -0.62 1.87 -0.14 -0.34 -4.23 -0.11 -0.96 115.64 111.11 2wr5 s THR 283 Ca 0.09 -2.02 0.20 0.00 -1.18 0.00 0.00 61.69 58.78 2wr5 s THR 283 Cb -0.12 -1.93 0.20 0.00 1.34 0.00 0.00 72.50 71.99 2wr5 s THR 283 CO 0.02 -0.38 1.58 -2.65 -0.54 0.00 0.00 174.62 172.65 2wr5 n PRO 284 N 0.08 0.13 -0.03 3.99 -0.02 -1.26 -1.29 135.00 136.60 2wr5 n PRO 284 Ca -0.11 0.62 -0.02 0.00 -2.02 0.00 0.00 63.50 61.97 2wr5 n PRO 284 Cb 0.58 -1.99 -0.14 0.00 -0.02 0.00 0.00 33.50 31.93 2wr5 n PRO 284 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wr5 n LEU 285 N -2.21 0.30 0.00 2.45 4.77 -1.26 -4.88 117.00 116.16 2wr5 n LEU 285 Ca -0.01 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2wr5 n LEU 285 Cb 0.10 0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2wr5 n LEU 285 CO 0.09 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2wr5 n GLY 286 N 1.51 -0.45 3.86 -0.72 0.00 -0.41 -4.06 105.19 104.93 2wr5 n GLY 286 Ca -0.18 -1.17 -0.31 0.00 0.00 0.00 0.00 46.02 44.35 2wr5 n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr5 s ALA 287 N -2.00 3.31 -0.19 4.61 0.00 -1.02 -0.93 121.76 125.54 2wr5 s ALA 287 Ca 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 51.96 51.90 2wr5 s ALA 287 Cb 0.00 -2.76 0.01 0.00 0.00 0.00 0.00 23.12 20.37 2wr5 s ALA 287 CO 0.00 0.13 -0.15 0.42 0.00 0.00 0.00 175.76 176.16 2wr5 s ILE 288 N -2.21 2.44 -0.27 0.00 1.09 0.08 -2.35 121.20 119.98 2wr5 s ILE 288 Ca 0.53 -0.82 -0.01 0.00 -1.10 0.00 0.00 60.65 59.25 2wr5 s ILE 288 Cb -0.10 -2.06 0.04 0.00 -1.06 0.00 0.00 42.46 39.28 2wr5 s ILE 288 CO 0.25 0.50 -0.05 0.21 -0.10 0.00 0.00 174.94 175.75 2wr5 s ASN 289 N 1.34 4.54 0.07 3.58 2.47 -1.26 -4.10 114.94 121.58 2wr5 s ASN 289 Ca 0.05 -1.11 -0.19 0.00 0.42 0.00 0.00 52.86 52.03 2wr5 s ASN 289 Cb -0.13 -1.66 0.04 0.00 -1.45 0.00 0.00 41.25 38.05 2wr5 s ASN 289 CO -0.10 -0.19 0.46 0.28 -3.72 0.00 0.00 177.10 173.83 2wr5 s THR 290 N 1.26 0.05 -0.10 -5.21 -1.32 -1.26 -5.02 115.64 104.03 2wr5 s THR 290 Ca -0.03 -0.38 0.16 0.00 -1.21 0.00 0.00 61.69 60.23 2wr5 s THR 290 Cb -0.18 -1.02 -0.23 0.00 -1.51 0.00 0.00 72.50 69.56 2wr5 s THR 290 CO -0.03 -0.21 0.20 0.41 -2.21 0.00 0.00 174.62 172.77 2wr5 n THR 291 N 0.23 0.62 -0.92 5.08 -1.04 -1.26 -5.04 114.28 111.96 2wr5 n THR 291 Ca -0.18 -0.56 -0.32 0.00 -2.04 0.00 0.00 64.05 60.96 2wr5 n THR 291 Cb 0.61 -0.28 0.14 0.00 -1.82 0.00 0.00 70.33 68.99 2wr5 n THR 291 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2wr5 s LEU 292 N -4.76 2.98 0.03 -4.42 1.43 -1.26 -4.95 118.68 107.74 2wr5 s LEU 292 Ca -0.07 2.23 0.24 0.00 -1.03 0.00 0.00 54.13 55.50 2wr5 s LEU 292 Cb 0.07 -4.57 0.25 0.00 0.03 0.00 0.00 46.19 41.97 2wr5 s LEU 292 CO 0.68 -2.84 1.21 -0.81 0.23 0.00 0.00 176.35 174.83 2wr5 n PRO 293 N -3.79 0.13 -4.14 1.29 -0.05 -1.26 -4.74 135.00 122.45 2wr5 n PRO 293 Ca 0.12 0.01 -0.16 0.00 -0.05 0.00 0.00 63.50 63.42 2wr5 n PRO 293 Cb 0.51 -1.56 -0.12 0.00 -0.05 0.00 0.00 33.50 32.29 2wr5 n PRO 293 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 175.50 175.39 2wr5 s PHE 294 N -3.09 1.02 0.07 0.54 0.08 -1.21 -1.62 117.98 113.77 2wr5 s PHE 294 Ca 0.08 -0.50 -0.01 0.00 0.12 0.00 0.00 56.93 56.62 2wr5 s PHE 294 Cb 0.16 -0.58 -0.04 0.00 -0.57 0.00 0.00 43.02 41.99 2wr5 s PHE 294 CO 0.76 0.00 -0.02 -3.38 -0.10 0.00 0.00 175.22 172.48 2wr5 s HIS 295 N -1.49 0.64 -0.09 0.36 -3.43 -0.54 0.15 115.29 110.90 2wr5 s HIS 295 Ca -0.03 -1.07 0.16 0.00 -0.80 0.00 0.00 55.06 53.32 2wr5 s HIS 295 Cb -0.09 -0.43 0.33 0.00 -1.43 0.00 0.00 32.58 30.96 2wr5 s HIS 295 CO 0.01 -0.36 1.15 0.27 -2.00 0.00 0.00 174.74 173.82 2wr5 n ASN 296 N 0.05 1.26 -0.05 7.38 6.94 -1.02 -1.85 115.26 127.98 2wr5 n ASN 296 Ca -0.12 -2.78 -0.14 0.00 -0.02 0.00 0.00 54.58 51.52 2wr5 n ASN 296 Cb 0.61 -0.38 -0.12 0.00 -2.36 0.00 0.00 39.78 37.54 2wr5 n ASN 296 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 2wr5 h ILE 297 N 3.99 1.64 -1.68 1.53 2.04 -1.89 -3.48 117.51 119.66 2wr5 h ILE 297 Ca -0.08 -1.88 0.06 0.00 1.00 0.00 0.00 64.86 63.96 2wr5 h ILE 297 Cb 1.39 2.91 -0.25 0.00 -0.74 0.00 0.00 36.82 40.13 2wr5 h ILE 297 CO 0.04 0.49 0.34 -2.28 0.00 0.00 0.00 178.15 176.74 2wr5 s HIS 298 N -3.03 -0.61 0.31 1.37 5.04 -1.26 -5.03 115.29 112.08 2wr5 s HIS 298 Ca -0.18 1.37 0.04 0.00 -1.54 0.00 0.00 55.06 54.75 2wr5 s HIS 298 Cb -0.01 0.38 0.53 0.00 0.04 0.00 0.00 32.58 33.51 2wr5 s HIS 298 CO 0.69 -0.30 1.80 -1.35 -2.34 0.00 0.00 174.74 173.23 2wr5 h PRO 299 N 5.13 0.45 -3.67 2.88 0.11 -1.98 -3.38 132.00 131.53 2wr5 h PRO 299 Ca -0.29 -0.14 -0.76 0.00 0.11 0.00 0.00 66.00 64.93 2wr5 h PRO 299 Cb 1.19 -0.04 -0.19 0.00 0.11 0.00 0.00 31.00 32.06 2wr5 h PRO 299 CO 0.13 0.60 1.59 1.28 -0.21 0.00 0.00 178.00 181.39 2wr5 n LEU 300 N -4.19 6.25 -5.00 2.35 4.77 -1.26 -4.89 117.00 115.03 2wr5 n LEU 300 Ca 0.00 -4.73 -0.19 0.00 -0.03 0.00 0.00 56.01 51.06 2wr5 n LEU 300 Cb 0.34 -1.47 0.03 0.00 -2.33 0.00 0.00 43.42 39.98 2wr5 n LEU 300 CO 0.40 1.29 0.27 0.42 -1.33 0.00 0.00 177.39 178.44 2wr5 s THR 301 N -0.00 2.78 -0.03 -5.08 -4.23 -1.26 -4.18 115.64 103.64 2wr5 s THR 301 Ca 0.38 -0.84 -0.00 0.00 -1.18 0.00 0.00 61.69 60.04 2wr5 s THR 301 Cb 0.05 -2.93 0.03 0.00 1.34 0.00 0.00 72.50 70.99 2wr5 s THR 301 CO 0.02 0.00 0.03 -0.63 -0.54 0.00 0.00 174.62 173.50 2wr5 s ILE 302 N -2.57 -0.02 -1.26 2.99 1.01 -0.13 -4.02 121.20 117.18 2wr5 s ILE 302 Ca 0.57 0.25 0.00 0.00 0.00 0.00 0.00 60.65 61.46 2wr5 s ILE 302 Cb -0.10 -0.14 0.00 0.00 0.01 0.00 0.00 42.46 42.24 2wr5 s ILE 302 CO 0.36 0.12 0.00 0.61 0.00 0.00 0.00 174.94 176.03 2wr5 n GLY 303 N 4.46 0.63 3.40 6.18 0.00 -0.18 -1.37 105.19 118.31 2wr5 n GLY 303 Ca -0.21 -2.17 -0.44 0.00 0.00 0.00 0.00 46.02 43.20 2wr5 n GLY 303 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wr5 s GLU 304 N -0.51 3.07 0.19 1.61 2.02 -0.83 -0.99 118.70 123.27 2wr5 s GLU 304 Ca 0.00 -1.19 0.09 0.00 0.02 0.00 0.00 54.97 53.90 2wr5 s GLU 304 Cb 0.00 -4.26 -0.04 0.00 0.10 0.00 0.00 34.13 29.92 2wr5 s GLU 304 CO 0.00 -1.63 -0.10 0.00 0.02 0.00 0.00 175.26 173.55 2wr5 s PRO 306 N -2.92 1.57 0.41 0.00 0.02 -1.26 -4.82 135.00 128.00 2wr5 s PRO 306 Ca 0.25 1.54 -0.25 0.00 0.02 0.00 0.00 61.00 62.57 2wr5 s PRO 306 Cb -0.08 -1.79 -0.08 0.00 0.02 0.00 0.00 34.50 32.56 2wr5 s PRO 306 CO 0.15 -2.22 1.22 0.21 -0.33 0.00 0.00 177.00 176.03 2wr5 s LYS 307 N -4.48 3.98 -0.13 5.54 2.47 -0.64 -4.65 119.74 121.83 2wr5 s LYS 307 Ca 0.68 1.97 -0.19 0.00 -1.56 0.00 0.00 55.97 56.87 2wr5 s LYS 307 Cb -0.24 -2.68 -0.04 0.00 -1.46 0.00 0.00 37.83 33.41 2wr5 s LYS 307 CO 0.54 -0.42 0.53 -0.47 0.16 0.00 0.00 175.35 175.69 2wr5 s TYR 308 N -1.35 3.48 0.07 4.03 5.04 -1.26 -1.46 117.35 125.90 2wr5 s TYR 308 Ca 0.58 0.92 0.08 0.00 -2.44 0.00 0.00 57.07 56.20 2wr5 s TYR 308 Cb -0.34 -2.63 -0.03 0.00 0.35 0.00 0.00 41.96 39.31 2wr5 s TYR 308 CO 0.43 0.07 -0.21 0.08 -1.34 0.00 0.00 175.55 174.58 2wr5 s VAL 309 N 0.97 1.70 -0.14 3.14 1.01 -0.77 -4.81 120.40 121.51 2wr5 s VAL 309 Ca 0.27 -1.39 -0.02 0.00 0.00 0.00 0.00 61.98 60.85 2wr5 s VAL 309 Cb -0.16 -1.52 0.03 0.00 0.00 0.00 0.00 36.38 34.74 2wr5 s VAL 309 CO 0.11 0.07 2.32 0.29 0.00 0.00 0.00 175.10 177.89 2wr5 n LYS 310 N 1.44 1.53 -4.38 2.72 5.02 -1.26 -4.58 118.16 118.65 2wr5 n LYS 310 Ca -0.18 -0.85 -0.24 0.00 -2.02 0.00 0.00 58.31 55.01 2wr5 n LYS 310 Cb 0.53 -1.45 -0.11 0.00 -0.02 0.00 0.00 35.03 33.98 2wr5 n LYS 310 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2wr5 s SER 311 N 1.28 3.06 0.00 4.39 0.15 -1.26 -5.04 113.70 116.28 2wr5 s SER 311 Ca 0.25 -0.86 0.00 0.00 0.70 0.00 0.00 55.95 56.04 2wr5 s SER 311 Cb 0.16 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 2wr5 s SER 311 CO -0.02 0.05 0.59 -0.90 1.20 0.00 0.00 173.24 174.16 2wr5 n ASP 312 N 0.30 1.13 -3.71 5.45 5.68 -1.26 -4.75 116.55 119.38 2wr5 n ASP 312 Ca -0.13 -1.30 -0.14 0.00 -0.50 0.00 0.00 54.79 52.72 2wr5 n ASP 312 Cb 0.56 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.40 2wr5 n ASP 312 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2wr5 s ARG 313 N -0.30 0.12 -0.43 0.11 0.52 -1.26 -5.09 118.95 112.63 2wr5 s ARG 313 Ca 0.00 0.54 0.02 0.00 -0.52 0.00 0.00 55.73 55.78 2wr5 s ARG 313 Cb 0.00 -0.15 0.15 0.00 0.52 0.00 0.00 34.95 35.47 2wr5 s ARG 313 CO 0.00 -0.22 0.30 -0.51 0.02 0.00 0.00 175.30 174.88 2wr5 s LEU 314 N 1.72 1.83 -0.23 2.53 1.43 -1.26 -5.03 118.68 119.68 2wr5 s LEU 314 Ca -0.04 -2.79 -0.03 0.00 -1.03 0.00 0.00 54.13 50.24 2wr5 s LEU 314 Cb -0.11 -0.65 0.01 0.00 0.03 0.00 0.00 46.19 45.47 2wr5 s LEU 314 CO -0.07 -0.22 -0.06 -0.69 0.23 0.00 0.00 176.35 175.53 2wr5 s VAL 315 N 0.28 3.08 0.00 -1.59 1.01 -1.26 -1.14 120.40 120.78 2wr5 s VAL 315 Ca 0.25 -0.74 -0.27 0.00 0.00 0.00 0.00 61.98 61.22 2wr5 s VAL 315 Cb -0.10 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 2wr5 s VAL 315 CO -0.09 0.34 0.85 -0.76 0.00 0.00 0.00 175.10 175.43 2wr5 s LEU 316 N 1.41 4.39 0.26 3.92 1.02 0.01 -4.73 118.68 124.95 2wr5 s LEU 316 Ca 0.04 1.49 -0.30 0.00 0.02 0.00 0.00 54.13 55.38 2wr5 s LEU 316 Cb -0.15 -3.35 -0.09 0.00 0.02 0.00 0.00 46.19 42.61 2wr5 s LEU 316 CO -0.05 -0.14 1.16 0.00 0.02 0.00 0.00 176.35 177.35 2wr5 s ALA 317 N 0.60 3.43 0.00 4.21 0.00 -1.26 -0.34 121.76 128.39 2wr5 s ALA 317 Ca 0.44 0.96 0.00 0.00 0.00 0.00 0.00 51.96 53.36 2wr5 s ALA 317 Cb -0.20 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2wr5 s ALA 317 CO 0.24 -0.29 0.00 0.25 0.00 0.00 0.00 175.76 175.96 2wr5 n THR 318 N 1.54 0.00 0.00 0.00 -2.24 -0.65 -4.88 114.28 108.06 2wr5 n THR 318 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2wr5 n THR 318 Cb 0.44 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 2wr5 n THR 318 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr5 n GLY 319 N 2.99 -1.54 3.64 3.38 0.00 0.25 -4.90 105.19 109.02 2wr5 n GLY 319 Ca 0.00 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.42 2wr5 n GLY 319 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2wr5 s LEU 320 N 0.00 2.50 0.03 0.99 0.05 -1.26 -4.76 118.68 116.23 2wr5 s LEU 320 Ca 0.00 -1.50 -0.30 0.00 0.05 0.00 0.00 54.13 52.38 2wr5 s LEU 320 Cb 0.00 -0.71 -0.09 0.00 -2.05 0.00 0.00 46.19 43.34 2wr5 s LEU 320 CO 0.00 -0.66 1.94 -0.60 -0.55 0.00 0.00 176.35 176.48 2wr5 s ARG 321 N -3.79 4.14 -0.68 1.48 3.52 -1.26 -0.70 118.95 121.66 2wr5 s ARG 321 Ca 0.23 2.58 -0.27 0.00 -0.13 0.00 0.00 55.73 58.14 2wr5 s ARG 321 Cb 0.06 -4.15 0.02 0.00 -1.56 0.00 0.00 34.95 29.32 2wr5 s ARG 321 CO 0.12 -0.95 1.35 1.21 -0.81 0.00 0.00 175.30 176.22 2wr5 s ASN 322 N 4.35 6.09 -0.45 -2.12 2.47 -0.93 -4.83 114.94 119.53 2wr5 s ASN 322 Ca 0.87 -0.20 -0.08 0.00 0.42 0.00 0.00 52.86 53.87 2wr5 s ASN 322 Cb -0.42 -2.55 0.11 0.00 -1.45 0.00 0.00 41.25 36.93 2wr5 s ASN 322 CO 0.41 -1.84 0.30 -0.69 -3.72 0.00 0.00 177.10 171.56 2wr5 s VAL 323 N 6.05 4.08 -2.00 -5.21 1.01 -1.26 -4.87 120.40 118.19 2wr5 s VAL 323 Ca 0.42 -1.71 0.03 0.00 0.00 0.00 0.00 61.98 60.72 2wr5 s VAL 323 Cb -0.09 -3.64 0.09 0.00 0.00 0.00 0.00 36.38 32.74 2wr5 s VAL 323 CO 0.18 -0.68 0.52 -2.65 0.00 0.00 0.00 175.10 172.47 2wr5 n PRO 324 N 4.87 0.18 0.00 2.72 -0.02 -1.26 -2.15 135.00 139.34 2wr5 n PRO 324 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 2wr5 n PRO 324 Cb 0.41 -1.26 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 2wr5 n PRO 324 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wr5 n GLY 330 N -0.48 0.86 0.08 -1.23 0.00 -1.15 -4.54 105.19 98.73 2wr5 n GLY 330 Ca 0.02 0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.31 2wr5 n GLY 330 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wr5 n LEU 331 N 0.00 0.73 -0.15 0.99 7.94 -1.26 -4.10 117.00 121.15 2wr5 n LEU 331 Ca 0.00 0.23 0.03 0.00 -1.11 0.00 0.00 56.01 55.16 2wr5 n LEU 331 Cb 0.00 -0.09 0.00 0.00 0.53 0.00 0.00 43.42 43.86 2wr5 n LEU 331 CO 0.00 -0.11 0.19 0.49 -1.11 0.00 0.00 177.39 176.85 2wr5 n PHE 332 N -2.42 0.00 -0.89 1.96 3.01 -1.26 -5.01 117.46 112.84 2wr5 n PHE 332 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 2wr5 n PHE 332 Cb 0.51 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.98 2wr5 n PHE 332 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wr5 n GLY 333 N 0.72 0.54 0.02 1.37 0.00 -1.26 -4.95 105.19 101.63 2wr5 n GLY 333 Ca 0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 45.93 2wr5 n GLY 333 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr5 n ALA 334 N 0.68 0.18 -2.35 4.61 0.00 -1.26 -1.16 120.51 121.21 2wr5 n ALA 334 Ca 0.00 -0.29 -0.42 0.00 0.00 0.00 0.00 53.44 52.73 2wr5 n ALA 334 Cb 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 2wr5 n ALA 334 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wr5 s ILE 335 N -1.43 3.98 -1.46 0.00 1.01 -1.26 -1.57 121.20 120.47 2wr5 s ILE 335 Ca -0.06 1.35 -0.11 0.00 0.00 0.00 0.00 60.65 61.84 2wr5 s ILE 335 Cb 0.01 -3.87 0.06 0.00 0.01 0.00 0.00 42.46 38.67 2wr5 s ILE 335 CO 0.09 0.02 0.79 0.00 0.00 0.00 0.00 174.94 175.83 2wr5 n ALA 336 N 5.04 -1.16 -2.32 9.38 0.00 -1.20 -2.93 120.51 127.32 2wr5 n ALA 336 Ca 0.12 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2wr5 n ALA 336 Cb 0.45 -3.98 0.00 0.00 0.00 0.00 0.00 19.45 15.92 2wr5 n ALA 336 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wr5 n GLY 337 N -1.54 3.21 0.22 0.00 0.00 -0.61 -4.45 105.19 102.03 2wr5 n GLY 337 Ca -0.00 -0.33 0.11 0.00 0.00 0.00 0.00 46.02 45.79 2wr5 n GLY 337 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2wr5 h PHE 338 N 0.00 0.00 -3.22 1.61 -5.15 -1.13 -3.32 116.94 105.73 2wr5 h PHE 338 Ca 0.00 0.00 -0.76 0.00 -0.20 0.00 0.00 57.97 57.01 2wr5 h PHE 338 Cb 0.00 0.00 -0.24 0.00 0.22 0.00 0.00 35.95 35.93 2wr5 h PHE 338 CO 0.00 0.15 -0.12 0.42 -2.00 0.00 0.00 178.31 176.76 2wr5 s ILE 339 N -3.42 5.26 0.35 0.88 1.01 -1.06 -4.06 121.20 120.16 2wr5 s ILE 339 Ca 0.03 -1.66 0.08 0.00 0.00 0.00 0.00 60.65 59.10 2wr5 s ILE 339 Cb 0.08 -4.38 0.13 0.00 0.01 0.00 0.00 42.46 38.30 2wr5 s ILE 339 CO 0.64 -0.93 1.85 1.05 0.00 0.00 0.00 174.94 177.56 2wr5 h GLU 340 N 8.69 0.28 -4.50 2.79 4.11 -1.82 -3.17 114.58 120.96 2wr5 h GLU 340 Ca -0.21 -0.08 -0.28 0.00 0.07 0.00 0.00 59.36 58.86 2wr5 h GLU 340 Cb 1.09 -0.03 -0.13 0.00 0.50 0.00 0.00 28.75 30.17 2wr5 h GLU 340 CO 0.99 0.47 -0.49 0.20 0.07 0.00 0.00 179.01 180.25 2wr5 s GLY 341 N -4.06 1.54 0.32 1.06 0.00 -1.26 -4.38 107.32 100.54 2wr5 s GLY 341 Ca -0.06 -1.67 0.07 0.00 0.00 0.00 0.00 44.72 43.06 2wr5 s GLY 341 CO 0.75 -1.28 0.38 -0.32 0.00 0.00 0.00 173.10 172.63 2wr5 s GLY 342 N -3.20 1.60 -0.38 0.20 0.00 -0.91 -4.71 107.32 99.92 2wr5 s GLY 342 Ca 0.37 -1.50 -0.13 0.00 0.00 0.00 0.00 44.72 43.46 2wr5 s GLY 342 CO 0.16 -1.43 0.24 -0.98 0.00 0.00 0.00 173.10 171.09 2wr5 s TRP 343 N -2.19 3.23 0.55 1.90 0.51 0.26 -4.85 118.94 118.34 2wr5 s TRP 343 Ca 0.42 -0.71 0.21 0.00 -2.12 0.00 0.00 56.10 53.91 2wr5 s TRP 343 Cb -0.08 -2.49 1.48 0.00 -0.81 0.00 0.00 33.47 31.56 2wr5 s TRP 343 CO 0.29 -0.58 2.18 1.96 -0.51 0.00 0.00 176.95 180.29 2wr5 h GLN 344 N 8.51 0.00 0.00 4.98 1.08 -1.86 -2.84 115.11 124.97 2wr5 h GLN 344 Ca -0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.93 2wr5 h GLN 344 Cb 1.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.55 2wr5 h GLN 344 CO 0.68 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.97 2wr5 n GLY 345 N -1.47 -1.73 3.70 3.46 0.00 -1.26 -4.74 105.19 103.15 2wr5 n GLY 345 Ca -0.02 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.46 2wr5 n GLY 345 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2wr5 n MET 346 N -1.96 1.53 -0.15 1.61 0.00 -1.25 -4.86 117.12 112.03 2wr5 n MET 346 Ca 0.00 0.56 0.01 0.00 -0.00 0.00 0.00 57.70 58.27 2wr5 n MET 346 Cb 0.00 -2.30 0.02 0.00 0.00 0.00 0.00 33.22 30.94 2wr5 n MET 346 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 2wr5 n VAL 347 N 4.79 0.44 -1.16 1.12 0.24 -1.26 -4.64 118.33 117.85 2wr5 n VAL 347 Ca 0.25 -0.49 0.03 0.00 -2.04 0.00 0.00 64.34 62.10 2wr5 n VAL 347 Cb 0.19 0.60 0.23 0.00 -1.47 0.00 0.00 33.84 33.40 2wr5 n VAL 347 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2wr5 n ASP 348 N -0.28 3.32 -1.88 -1.34 5.75 -1.26 -5.03 116.55 115.83 2wr5 n ASP 348 Ca 0.02 -3.30 -0.00 0.00 -0.01 0.00 0.00 54.79 51.50 2wr5 n ASP 348 Cb 0.53 -0.58 0.01 0.00 -1.03 0.00 0.00 41.12 40.04 2wr5 n ASP 348 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wr5 n GLY 349 N -0.79 0.80 0.09 6.12 0.00 -1.26 -4.82 105.19 105.33 2wr5 n GLY 349 Ca 0.26 -0.96 -0.11 0.00 0.00 0.00 0.00 46.02 45.22 2wr5 n GLY 349 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2wr5 n TRP 350 N -0.28 0.00 -4.22 1.61 8.01 -1.26 -4.69 117.44 116.60 2wr5 n TRP 350 Ca 0.00 0.00 -0.18 0.00 -1.31 0.00 0.00 57.50 56.01 2wr5 n TRP 350 Cb 0.20 -0.81 -0.11 0.00 -2.01 0.00 0.00 31.31 28.58 2wr5 n TRP 350 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 2wr5 s TYR 351 N -2.40 1.35 0.00 -5.99 1.51 -1.26 -0.09 117.35 110.46 2wr5 s TYR 351 Ca -0.16 -0.54 0.00 0.00 -1.01 0.00 0.00 57.07 55.36 2wr5 s TYR 351 Cb 0.06 -0.72 0.00 0.00 -0.11 0.00 0.00 41.96 41.19 2wr5 s TYR 351 CO 0.60 0.12 0.00 0.41 -1.11 0.00 0.00 175.55 175.57 2wr5 n GLY 352 N 0.68 1.73 3.29 0.71 0.00 -0.53 -1.19 105.19 109.89 2wr5 n GLY 352 Ca -0.17 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 44.90 2wr5 n GLY 352 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wr5 s TYR 353 N -2.96 1.84 -0.05 1.61 1.51 0.83 -1.16 117.35 118.98 2wr5 s TYR 353 Ca 0.00 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.66 2wr5 s TYR 353 Cb 0.00 -1.03 0.02 0.00 -0.11 0.00 0.00 41.96 40.84 2wr5 s TYR 353 CO 0.00 0.19 -0.02 -1.58 -1.11 0.00 0.00 175.55 173.02 2wr5 s HIS 354 N -1.06 0.64 -0.06 2.71 2.46 0.11 -1.15 115.29 118.94 2wr5 s HIS 354 Ca 0.07 -0.16 0.03 0.00 0.47 0.00 0.00 55.06 55.48 2wr5 s HIS 354 Cb -0.10 -0.65 0.01 0.00 -0.13 0.00 0.00 32.58 31.71 2wr5 s HIS 354 CO 0.04 -0.21 -0.16 -3.38 -2.47 0.00 0.00 174.74 168.56 2wr5 s HIS 355 N 1.18 1.74 -0.33 3.88 -3.43 -1.08 0.18 115.29 117.44 2wr5 s HIS 355 Ca -0.07 -0.61 -0.19 0.00 -0.80 0.00 0.00 55.06 53.39 2wr5 s HIS 355 Cb -0.14 -1.21 -0.01 0.00 -1.43 0.00 0.00 32.58 29.79 2wr5 s HIS 355 CO -0.02 -0.26 0.54 -1.12 -2.00 0.00 0.00 174.74 171.88 2wr5 s SER 356 N 0.39 6.37 0.00 7.38 0.01 -0.40 -4.43 113.70 123.02 2wr5 s SER 356 Ca -0.12 0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.30 2wr5 s SER 356 Cb -0.15 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 63.80 2wr5 s SER 356 CO 0.04 -0.45 0.00 -3.20 0.41 0.00 0.00 173.24 170.04 2wr5 n ASN 357 N 5.75 0.97 -0.00 2.44 5.15 -1.24 -1.18 115.26 127.15 2wr5 n ASN 357 Ca -0.04 0.00 0.08 0.00 -0.60 0.00 0.00 54.58 54.02 2wr5 n ASN 357 Cb 0.49 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.65 2wr5 n ASN 357 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2wr5 n ASP 358 N 0.00 0.79 0.00 1.20 8.00 -1.26 -4.81 116.55 120.48 2wr5 n ASP 358 Ca 0.00 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.71 2wr5 n ASP 358 Cb 0.00 1.07 0.00 0.00 -0.02 0.00 0.00 41.12 42.17 2wr5 n ASP 358 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wr5 n GLN 359 N -1.44 0.00 -0.77 -1.24 3.00 -1.26 -5.13 117.38 110.55 2wr5 n GLN 359 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 2wr5 n GLN 359 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.50 2wr5 n GLN 359 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2wr5 n GLY 360 N 3.12 6.34 0.00 1.08 0.00 -1.26 -5.16 105.19 109.30 2wr5 n GLY 360 Ca 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.96 2wr5 n GLY 360 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wr5 n SER 361 N -0.44 0.00 0.00 1.61 3.41 -1.26 -3.68 113.62 113.26 2wr5 n SER 361 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2wr5 n SER 361 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2wr5 n SER 361 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wr5 n GLY 362 N 0.00 -0.85 3.51 5.00 0.00 -1.26 -5.03 105.19 106.56 2wr5 n GLY 362 Ca 0.00 0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 2wr5 n GLY 362 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wr5 s TYR 363 N 0.00 3.11 -0.09 1.61 1.51 -1.26 -2.62 117.35 119.62 2wr5 s TYR 363 Ca 0.00 -0.25 -0.02 0.00 -1.01 0.00 0.00 57.07 55.79 2wr5 s TYR 363 Cb 0.00 -2.10 0.03 0.00 -0.11 0.00 0.00 41.96 39.78 2wr5 s TYR 363 CO 0.00 -0.12 0.02 0.00 -1.11 0.00 0.00 175.55 174.34 2wr5 s ALA 364 N 0.87 0.66 0.38 3.71 0.00 -0.30 -4.98 121.76 122.11 2wr5 s ALA 364 Ca 0.02 -0.16 -0.25 0.00 0.00 0.00 0.00 51.96 51.58 2wr5 s ALA 364 Cb -0.14 -0.79 -0.09 0.00 0.00 0.00 0.00 23.12 22.10 2wr5 s ALA 364 CO 0.02 -0.57 1.08 0.00 0.00 0.00 0.00 175.76 176.29 2wr5 s ALA 365 N 1.99 3.14 -0.88 0.00 0.00 -1.26 -0.12 121.76 124.63 2wr5 s ALA 365 Ca 0.04 0.78 -0.20 0.00 0.00 0.00 0.00 51.96 52.58 2wr5 s ALA 365 Cb -0.13 -3.30 0.11 0.00 0.00 0.00 0.00 23.12 19.80 2wr5 s ALA 365 CO -0.05 -0.27 1.12 0.34 0.00 0.00 0.00 175.76 176.89 2wr5 s ASP 366 N -1.39 6.52 0.11 0.00 3.68 -0.33 -4.87 116.67 120.39 2wr5 s ASP 366 Ca 0.56 -1.78 -0.25 0.00 2.13 0.00 0.00 52.55 53.21 2wr5 s ASP 366 Cb -0.25 -2.42 -0.10 0.00 -1.45 0.00 0.00 42.92 38.71 2wr5 s ASP 366 CO 0.31 -1.18 1.67 0.07 0.13 0.00 0.00 175.17 176.18 2wr5 h LYS 367 N 9.06 -0.30 0.00 4.34 2.10 -1.89 -1.47 116.57 128.41 2wr5 h LYS 367 Ca 0.07 0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.73 2wr5 h LYS 367 Cb 1.03 0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 32.43 2wr5 h LYS 367 CO 1.15 -0.20 -0.04 1.49 -2.00 0.00 0.00 179.45 179.85 2wr5 h GLU 368 N -0.32 0.00 0.03 0.07 4.22 -1.98 0.28 114.58 116.88 2wr5 h GLU 368 Ca 0.02 0.00 -0.32 0.00 0.08 0.00 0.00 59.36 59.14 2wr5 h GLU 368 Cb 0.33 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 2wr5 h GLU 368 CO -0.09 0.04 -1.90 0.45 -2.18 0.00 0.00 179.01 175.33 2wr5 n SER 369 N -4.00 1.10 0.14 1.04 2.88 -1.10 -2.98 113.62 110.70 2wr5 n SER 369 Ca -0.03 0.29 -0.00 0.00 -1.33 0.00 0.00 58.87 57.80 2wr5 n SER 369 Cb 0.12 -0.13 0.28 0.00 -0.75 0.00 0.00 64.21 63.73 2wr5 n SER 369 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2wr5 h THR 370 N 0.02 1.31 -0.13 2.46 2.02 -0.79 -3.08 112.91 114.71 2wr5 h THR 370 Ca -0.36 -1.47 -0.04 0.00 0.77 0.00 0.00 66.41 65.30 2wr5 h THR 370 Cb 2.04 1.73 -0.00 0.00 -1.74 0.00 0.00 68.15 70.18 2wr5 h THR 370 CO 0.07 0.43 -0.09 -0.61 0.37 0.00 0.00 175.52 175.69 2wr5 h GLN 371 N 0.10 0.29 -0.28 6.66 5.75 -0.56 -0.81 115.11 126.25 2wr5 h GLN 371 Ca 0.01 -0.14 0.08 0.00 -0.15 0.00 0.00 58.65 58.45 2wr5 h GLN 371 Cb 0.77 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.31 2wr5 h GLN 371 CO 0.06 0.65 0.25 -0.22 -2.65 0.00 0.00 178.83 176.92 2wr5 h LYS 372 N -0.08 0.00 0.17 1.69 3.64 -1.52 -1.16 116.57 119.31 2wr5 h LYS 372 Ca 0.03 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.06 2wr5 h LYS 372 Cb 0.58 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2wr5 h LYS 372 CO 0.02 0.00 -1.75 0.00 -2.27 0.00 0.00 179.45 175.45 2wr5 h ALA 373 N 1.77 0.20 -0.92 5.00 0.00 -1.43 -2.59 119.26 121.30 2wr5 h ALA 373 Ca 0.14 -1.18 0.04 0.00 0.00 0.00 0.00 54.91 53.91 2wr5 h ALA 373 Cb 0.63 0.51 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 2wr5 h ALA 373 CO -0.00 1.05 0.60 0.27 0.00 0.00 0.00 179.25 181.16 2wr5 h PHE 374 N 0.04 1.11 0.41 0.00 -0.00 -0.75 -0.29 116.94 117.47 2wr5 h PHE 374 Ca -0.35 0.03 -0.02 0.00 -0.00 0.00 0.00 57.97 57.62 2wr5 h PHE 374 Cb 2.04 -0.37 0.00 0.00 -0.00 0.00 0.00 35.95 37.63 2wr5 h PHE 374 CO 0.10 0.63 -0.21 -0.44 -0.00 0.00 0.00 178.31 178.39 2wr5 h ASP 375 N 1.14 -0.50 0.38 -0.68 3.32 -1.31 -1.31 116.42 117.45 2wr5 h ASP 375 Ca 0.37 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.44 2wr5 h ASP 375 Cb 0.04 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2wr5 h ASP 375 CO -0.13 -0.35 -0.27 1.23 -1.72 0.00 0.00 179.24 178.00 2wr5 h GLY 376 N -0.57 -0.68 1.37 2.75 0.00 -1.09 0.50 103.07 105.35 2wr5 h GLY 376 Ca -0.05 0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.52 2wr5 h GLY 376 CO 0.08 -0.26 0.10 -2.22 0.00 0.00 0.00 176.54 174.25 2wr5 h ILE 377 N -0.64 1.22 -0.84 2.60 5.03 -1.11 0.56 117.51 124.33 2wr5 h ILE 377 Ca -0.04 -0.82 0.05 0.00 -0.12 0.00 0.00 64.86 63.93 2wr5 h ILE 377 Cb 0.54 0.72 -0.06 0.00 -3.03 0.00 0.00 36.82 35.00 2wr5 h ILE 377 CO 0.01 0.30 0.53 0.74 -0.68 0.00 0.00 178.15 179.05 2wr5 h THR 378 N 0.76 1.08 -0.57 -0.27 2.02 -0.99 -1.04 112.91 113.90 2wr5 h THR 378 Ca 0.17 -0.34 -0.07 0.00 0.77 0.00 0.00 66.41 66.94 2wr5 h THR 378 Cb 0.31 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.70 2wr5 h THR 378 CO 0.00 0.18 0.09 0.78 0.37 0.00 0.00 175.52 176.94 2wr5 h ASN 379 N 0.99 0.91 0.18 4.18 2.35 0.86 -2.07 115.58 122.98 2wr5 h ASN 379 Ca 0.35 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 2wr5 h ASN 379 Cb 0.09 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.22 2wr5 h ASN 379 CO -0.14 0.94 -0.09 0.50 -1.65 0.00 0.00 177.43 176.99 2wr5 h LYS 380 N 0.85 -0.23 -0.56 0.81 3.64 -0.52 0.85 116.57 121.41 2wr5 h LYS 380 Ca 0.17 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.67 2wr5 h LYS 380 Cb 0.42 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.21 2wr5 h LYS 380 CO 0.01 -0.15 0.14 0.28 -2.27 0.00 0.00 179.45 177.45 2wr5 h VAL 381 N -0.24 0.70 0.00 2.00 2.07 -1.21 -2.26 116.25 117.31 2wr5 h VAL 381 Ca -0.02 -0.10 -0.09 0.00 0.82 0.00 0.00 66.70 67.31 2wr5 h VAL 381 Cb 0.18 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2wr5 h VAL 381 CO 0.04 0.05 -0.42 0.78 0.02 0.00 0.00 177.57 178.04 2wr5 h ASN 382 N 0.28 0.00 -0.31 0.57 4.21 -1.06 -1.94 115.58 117.34 2wr5 h ASN 382 Ca 0.29 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.78 2wr5 h ASN 382 Cb 0.40 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.59 2wr5 h ASN 382 CO -0.35 0.42 0.13 0.28 -1.29 0.00 0.00 177.43 176.62 2wr5 h SER 383 N 0.00 0.43 -0.60 5.81 0.02 -0.28 0.13 113.55 119.05 2wr5 h SER 383 Ca -0.00 -0.16 -0.06 0.00 -0.84 0.00 0.00 61.79 60.72 2wr5 h SER 383 Cb 0.82 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 2wr5 h SER 383 CO 0.06 0.47 0.14 0.58 -1.14 0.00 0.00 176.83 176.94 2wr5 h VAL 384 N 0.35 1.25 0.02 2.27 2.07 -1.10 -2.97 116.25 118.14 2wr5 h VAL 384 Ca 0.10 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 2wr5 h VAL 384 Cb 0.18 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2wr5 h VAL 384 CO -0.01 0.34 -0.12 0.40 0.02 0.00 0.00 177.57 178.21 2wr5 h ILE 385 N 0.88 1.76 0.00 4.57 2.04 -1.32 -3.38 117.51 122.05 2wr5 h ILE 385 Ca 0.19 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 63.68 2wr5 h ILE 385 Cb 0.36 3.37 0.00 0.00 -0.74 0.00 0.00 36.82 39.81 2wr5 h ILE 385 CO 0.00 0.62 0.00 0.00 0.00 0.00 0.00 178.15 178.78 2wr5 h ALA 386 N 0.01 1.00 0.00 1.87 0.00 -0.82 -3.08 119.26 118.24 2wr5 h ALA 386 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wr5 h ALA 386 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2wr5 h ALA 386 CO 0.02 0.00 -0.22 1.63 0.00 0.00 0.00 179.25 180.68 2wr5 n LYS 387 N -2.45 0.05 -2.51 0.00 4.76 -1.12 -4.84 118.16 112.05 2wr5 n LYS 387 Ca 0.04 0.03 -0.42 0.00 -2.87 0.00 0.00 58.31 55.09 2wr5 n LYS 387 Cb 0.37 -1.55 -0.03 0.00 -1.84 0.00 0.00 35.03 31.99 2wr5 n LYS 387 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 2wr5 s MET 388 N -3.02 4.46 -0.27 1.97 1.75 -1.17 -5.02 119.30 118.01 2wr5 s MET 388 Ca 0.12 1.66 -0.15 0.00 -1.25 0.00 0.00 55.69 56.07 2wr5 s MET 388 Cb 0.17 -3.39 -0.04 0.00 2.84 0.00 0.00 34.83 34.41 2wr5 s MET 388 CO 0.61 -0.21 0.37 1.21 -0.65 0.00 0.00 175.02 176.35 2wr5 s ASN 389 N 1.07 6.25 -0.48 1.11 3.04 -1.26 -5.05 114.94 119.62 2wr5 s ASN 389 Ca 0.57 0.28 0.04 0.00 0.04 0.00 0.00 52.86 53.79 2wr5 s ASN 389 Cb -0.27 -2.21 0.12 0.00 -1.54 0.00 0.00 41.25 37.36 2wr5 s ASN 389 CO 0.28 -0.18 0.21 0.42 -3.04 0.00 0.00 177.10 174.80 2wr5 s THR 390 N 2.06 2.49 0.44 -5.21 -4.23 -1.26 -5.03 115.64 104.90 2wr5 s THR 390 Ca 0.15 -3.10 0.00 0.00 -1.18 0.00 0.00 61.69 57.56 2wr5 s THR 390 Cb -0.16 -2.76 -0.01 0.00 1.34 0.00 0.00 72.50 70.92 2wr5 s THR 390 CO 0.10 -0.76 0.66 0.00 -0.54 0.00 0.00 174.62 174.08 2wr5 s GLN 391 N -0.03 3.11 0.02 3.99 -2.07 -1.26 -4.78 119.66 118.65 2wr5 s GLN 391 Ca 0.16 -0.48 -0.30 0.00 -1.82 0.00 0.00 55.36 52.92 2wr5 s GLN 391 Cb -0.24 -2.57 -0.07 0.00 -1.09 0.00 0.00 33.01 29.04 2wr5 s GLN 391 CO -0.02 -0.22 1.57 0.12 -1.32 0.00 0.00 175.29 175.42 2wr5 s PHE 392 N -2.53 2.48 0.27 9.60 5.36 -1.26 -4.40 117.98 127.50 2wr5 s PHE 392 Ca 0.47 0.46 0.02 0.00 -0.96 0.00 0.00 56.93 56.93 2wr5 s PHE 392 Cb -0.10 -3.85 -0.04 0.00 -0.34 0.00 0.00 43.02 38.68 2wr5 s PHE 392 CO 0.38 -3.39 0.14 -1.21 -1.46 0.00 0.00 175.22 169.68 2wr5 s GLU 393 N 2.83 1.47 0.00 10.12 8.01 -0.16 -4.93 118.70 136.05 2wr5 s GLU 393 Ca 0.70 -1.82 0.00 0.00 0.01 0.00 0.00 54.97 53.87 2wr5 s GLU 393 Cb -0.36 -0.07 0.00 0.00 -4.31 0.00 0.00 34.13 29.39 2wr5 s GLU 393 CO 0.30 -0.40 0.00 0.00 0.01 0.00 0.00 175.26 175.17 2wr5 n ALA 394 N -0.49 1.13 -0.30 5.21 0.00 -1.26 -1.02 120.51 123.78 2wr5 n ALA 394 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2wr5 n ALA 394 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 2wr5 n ALA 394 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wr5 n VAL 395 N -0.63 0.00 -1.52 0.00 0.31 -1.26 -4.67 118.33 110.57 2wr5 n VAL 395 Ca 0.00 0.00 -0.46 0.00 -0.01 0.00 0.00 64.34 63.87 2wr5 n VAL 395 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 2wr5 n VAL 395 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wr5 n GLY 396 N 0.00 -0.80 3.14 2.92 0.00 -1.26 -5.00 105.19 104.19 2wr5 n GLY 396 Ca 0.00 0.33 -0.09 0.00 0.00 0.00 0.00 46.02 46.27 2wr5 n GLY 396 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wr5 s LYS 397 N -1.34 0.69 -0.11 1.61 -0.14 -1.26 -4.78 119.74 114.40 2wr5 s LYS 397 Ca 0.61 -0.95 0.04 0.00 -1.36 0.00 0.00 55.97 54.31 2wr5 s LYS 397 Cb -0.79 0.27 0.00 0.00 -1.68 0.00 0.00 37.83 35.63 2wr5 s LYS 397 CO 0.58 -0.18 -0.23 -1.21 -0.76 0.00 0.00 175.35 173.55 2wr5 s GLU 398 N -3.41 3.05 -0.01 1.68 0.41 -1.26 -5.12 118.70 114.04 2wr5 s GLU 398 Ca 0.02 -0.87 0.01 0.00 -0.41 0.00 0.00 54.97 53.72 2wr5 s GLU 398 Cb 0.03 -2.34 0.00 0.00 -1.78 0.00 0.00 34.13 30.05 2wr5 s GLU 398 CO -0.08 0.14 -0.03 -0.06 -0.49 0.00 0.00 175.26 174.73 2wr5 s PHE 399 N 0.45 0.30 1.03 1.61 0.08 -1.26 -4.94 117.98 115.26 2wr5 s PHE 399 Ca -0.16 -0.05 -0.15 0.00 0.12 0.00 0.00 56.93 56.69 2wr5 s PHE 399 Cb -0.17 -0.23 0.21 0.00 -0.57 0.00 0.00 43.02 42.26 2wr5 s PHE 399 CO 0.06 -0.02 1.13 -1.54 -0.10 0.00 0.00 175.22 174.75 2wr5 s SER 400 N 0.09 2.40 -0.02 1.36 1.04 -1.26 -4.90 113.70 112.41 2wr5 s SER 400 Ca -0.01 0.88 0.03 0.00 0.48 0.00 0.00 55.95 57.34 2wr5 s SER 400 Cb -0.03 -1.35 0.12 0.00 0.10 0.00 0.00 66.02 64.85 2wr5 s SER 400 CO -0.00 -3.24 0.86 -0.46 0.98 0.00 0.00 173.24 171.38 2wr5 n ASN 401 N -4.20 1.28 -0.20 7.02 6.94 -1.26 -2.07 115.26 122.77 2wr5 n ASN 401 Ca 0.08 -2.09 0.09 0.00 -0.02 0.00 0.00 54.58 52.65 2wr5 n ASN 401 Cb 0.59 -0.34 0.16 0.00 -2.36 0.00 0.00 39.78 37.82 2wr5 n ASN 401 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2wr5 n LEU 402 N -0.01 2.55 -1.20 -4.53 4.77 -1.26 -4.58 117.00 112.74 2wr5 n LEU 402 Ca 0.04 -3.15 0.01 0.00 -0.03 0.00 0.00 56.01 52.89 2wr5 n LEU 402 Cb 0.27 -0.45 0.12 0.00 -2.33 0.00 0.00 43.42 41.03 2wr5 n LEU 402 CO 0.04 0.76 0.22 -0.62 -1.33 0.00 0.00 177.39 176.47 2wr5 n GLU 403 N -1.32 1.41 -0.30 3.23 1.02 -0.88 -4.83 120.64 118.97 2wr5 n GLU 403 Ca 0.17 -3.06 0.07 0.00 -0.02 0.00 0.00 57.16 54.32 2wr5 n GLU 403 Cb 0.67 -1.24 0.28 0.00 -0.02 0.00 0.00 31.44 31.14 2wr5 n GLU 403 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wr5 h ARG 404 N 1.27 0.89 -0.24 3.49 -0.00 -1.81 0.11 114.38 118.10 2wr5 h ARG 404 Ca -0.03 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.98 59.35 2wr5 h ARG 404 Cb 1.35 -0.20 -0.01 0.00 0.00 0.00 0.00 29.97 31.11 2wr5 h ARG 404 CO 0.14 0.59 -0.06 0.00 0.00 0.00 0.00 179.97 180.64 2wr5 h ARG 405 N 0.91 0.46 -0.41 0.04 3.08 -1.96 -0.78 114.38 115.72 2wr5 h ARG 405 Ca 0.42 -0.18 0.02 0.00 0.07 0.00 0.00 59.98 60.32 2wr5 h ARG 405 Cb 0.40 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 2wr5 h ARG 405 CO -0.19 0.69 0.22 1.25 -1.07 0.00 0.00 179.97 180.88 2wr5 h LEU 406 N 0.19 0.35 -0.82 3.04 5.85 -1.82 0.21 115.31 122.31 2wr5 h LEU 406 Ca 0.06 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.83 2wr5 h LEU 406 Cb 0.52 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 2wr5 h LEU 406 CO 0.02 0.25 0.53 -0.08 -0.34 0.00 0.00 178.44 178.82 2wr5 h GLU 407 N 0.45 0.99 -0.03 1.25 4.81 -0.71 -0.45 114.58 120.90 2wr5 h GLU 407 Ca 0.17 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 2wr5 h GLU 407 Cb 0.04 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 2wr5 h GLU 407 CO -0.09 0.65 -0.41 -0.97 -0.73 0.00 0.00 179.01 177.46 2wr5 h ASN 408 N 1.01 0.06 -0.25 1.04 -0.73 -0.50 -0.99 115.58 115.22 2wr5 h ASN 408 Ca 0.33 -0.02 -0.05 0.00 1.87 0.00 0.00 56.30 58.43 2wr5 h ASN 408 Cb 0.03 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.60 2wr5 h ASN 408 CO -0.12 0.46 -0.06 0.25 -0.37 0.00 0.00 177.43 177.59 2wr5 h LEU 409 N 0.05 0.48 -0.97 0.34 6.46 0.25 -0.53 115.31 121.39 2wr5 h LEU 409 Ca 0.00 -0.36 -0.01 0.00 -0.12 0.00 0.00 57.88 57.39 2wr5 h LEU 409 Cb 0.74 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.50 2wr5 h LEU 409 CO 0.06 0.73 0.51 -1.13 -0.62 0.00 0.00 178.44 177.98 2wr5 h ASN 410 N 0.23 1.09 -0.28 1.25 -0.73 -0.72 -1.75 115.58 114.67 2wr5 h ASN 410 Ca 0.06 -0.08 -0.14 0.00 1.87 0.00 0.00 56.30 58.01 2wr5 h ASN 410 Cb 0.52 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.82 2wr5 h ASN 410 CO 0.02 0.86 -0.34 0.50 -0.37 0.00 0.00 177.43 178.10 2wr5 h LYS 411 N 1.24 0.81 0.00 6.67 3.64 -1.08 -1.03 116.57 126.82 2wr5 h LYS 411 Ca 0.32 -0.40 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 2wr5 h LYS 411 Cb -0.01 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2wr5 h LYS 411 CO -0.05 1.03 -0.03 -0.22 -2.27 0.00 0.00 179.45 177.90 2wr5 h LYS 412 N 0.68 0.00 0.02 1.90 1.63 -0.69 -0.88 116.57 119.22 2wr5 h LYS 412 Ca 0.07 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.82 2wr5 h LYS 412 Cb 0.89 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.52 2wr5 h LYS 412 CO 0.08 0.03 -0.22 1.98 -3.45 0.00 0.00 179.45 177.87 2wr5 h MET 413 N 0.00 0.03 -0.60 1.90 4.05 -0.92 -2.66 114.93 116.74 2wr5 h MET 413 Ca -0.00 -0.06 0.06 0.00 -0.28 0.00 0.00 59.70 59.42 2wr5 h MET 413 Cb 0.06 0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 30.83 2wr5 h MET 413 CO 0.00 1.03 0.31 0.93 0.23 0.00 0.00 176.91 179.41 2wr5 h GLU 414 N -0.93 0.57 -0.47 0.39 4.39 -1.05 -1.97 114.58 115.50 2wr5 h GLU 414 Ca -0.05 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.56 2wr5 h GLU 414 Cb 1.10 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.60 2wr5 h GLU 414 CO -0.01 0.38 0.06 -0.44 -1.16 0.00 0.00 179.01 177.84 2wr5 h ASP 415 N 0.59 0.70 -0.54 1.42 3.32 -1.29 -1.43 116.42 119.19 2wr5 h ASP 415 Ca 0.27 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 2wr5 h ASP 415 Cb 0.18 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2wr5 h ASP 415 CO -0.18 0.73 0.18 1.23 -1.72 0.00 0.00 179.24 179.48 2wr5 h GLY 416 N 0.94 0.89 1.98 2.75 0.00 -1.00 -0.94 103.07 107.70 2wr5 h GLY 416 Ca 0.15 -0.52 -0.13 0.00 0.00 0.00 0.00 47.33 46.83 2wr5 h GLY 416 CO 0.01 0.49 -0.60 0.74 0.00 0.00 0.00 176.54 177.17 2wr5 h PHE 417 N 0.74 0.02 -0.41 5.60 0.05 -1.19 -2.65 116.94 119.10 2wr5 h PHE 417 Ca 0.18 -0.01 -0.05 0.00 3.82 0.00 0.00 57.97 61.91 2wr5 h PHE 417 Cb 0.26 -0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.19 2wr5 h PHE 417 CO 0.01 0.62 0.07 1.25 -0.18 0.00 0.00 178.31 180.08 2wr5 h LEU 418 N 0.01 0.65 -0.00 1.54 5.85 -0.82 -0.82 115.31 121.73 2wr5 h LEU 418 Ca -0.01 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 2wr5 h LEU 418 Cb 1.07 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.93 2wr5 h LEU 418 CO 0.08 0.74 0.00 0.44 -0.34 0.00 0.00 178.44 179.36 2wr5 h ASP 419 N 0.54 0.00 -0.08 1.25 3.32 -1.13 -1.77 116.42 118.54 2wr5 h ASP 419 Ca 0.13 -0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.11 2wr5 h ASP 419 Cb 0.37 -0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.87 2wr5 h ASP 419 CO 0.01 0.10 -0.22 0.58 -1.72 0.00 0.00 179.24 177.99 2wr5 h VAL 420 N -0.10 0.46 -0.42 -1.35 2.07 -1.44 -1.37 116.25 114.11 2wr5 h VAL 420 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.48 2wr5 h VAL 420 Cb 0.10 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 2wr5 h VAL 420 CO -0.00 0.00 0.08 -0.50 0.02 0.00 0.00 177.57 177.17 2wr5 h TRP 421 N -0.31 0.72 0.15 1.57 4.06 -1.12 -1.93 115.95 119.09 2wr5 h TRP 421 Ca 0.08 -0.09 0.01 0.00 2.06 0.00 0.00 58.89 60.96 2wr5 h TRP 421 Cb 0.43 -0.20 -0.03 0.00 -1.00 0.00 0.00 29.16 28.36 2wr5 h TRP 421 CO -0.30 0.69 -0.28 1.15 -3.56 0.00 0.00 178.44 176.14 2wr5 h THR 422 N 0.54 0.39 -0.20 1.49 2.02 -1.23 0.20 112.91 116.11 2wr5 h THR 422 Ca 0.13 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.36 2wr5 h THR 422 Cb 0.35 0.39 -0.05 0.00 -1.74 0.00 0.00 68.15 67.10 2wr5 h THR 422 CO 0.01 0.00 -0.11 0.22 0.37 0.00 0.00 175.52 176.00 2wr5 h TYR 423 N -0.52 -0.27 -0.45 3.16 3.20 -1.20 0.24 116.97 121.13 2wr5 h TYR 423 Ca 0.02 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.94 2wr5 h TYR 423 Cb 0.53 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.92 2wr5 h TYR 423 CO -0.24 -0.17 0.25 -0.91 -1.64 0.00 0.00 178.16 175.45 2wr5 h ASN 424 N -0.10 0.39 0.46 -2.11 2.35 -1.20 -1.27 115.58 114.11 2wr5 h ASN 424 Ca 0.11 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 2wr5 h ASN 424 Cb 0.27 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.57 2wr5 h ASN 424 CO -0.26 0.28 -0.25 0.00 -1.65 0.00 0.00 177.43 175.55 2wr5 h ALA 425 N 1.21 -0.65 -0.36 -0.83 0.00 -0.47 0.29 119.26 118.46 2wr5 h ALA 425 Ca 0.18 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2wr5 h ALA 425 Cb 0.05 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 2wr5 h ALA 425 CO -0.10 -0.87 0.04 0.93 0.00 0.00 0.00 179.25 179.25 2wr5 h GLU 426 N -0.66 0.15 -0.20 0.00 4.39 -0.83 -0.93 114.58 116.51 2wr5 h GLU 426 Ca -0.06 -0.01 -0.17 0.00 0.34 0.00 0.00 59.36 59.46 2wr5 h GLU 426 Cb 0.52 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2wr5 h GLU 426 CO 0.08 0.10 -0.57 -0.07 -1.16 0.00 0.00 179.01 177.39 2wr5 h LEU 427 N 0.16 0.72 0.34 1.33 4.07 -1.14 -1.88 115.31 118.91 2wr5 h LEU 427 Ca 0.17 -0.39 -0.00 0.00 0.08 0.00 0.00 57.88 57.74 2wr5 h LEU 427 Cb 0.22 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.73 2wr5 h LEU 427 CO -0.25 1.13 -0.34 0.25 -1.08 0.00 0.00 178.44 178.15 2wr5 h LEU 428 N 0.49 -0.92 -0.54 1.67 5.85 -0.05 0.53 115.31 122.35 2wr5 h LEU 428 Ca 0.00 0.08 0.10 0.00 0.84 0.00 0.00 57.88 58.90 2wr5 h LEU 428 Cb 1.14 0.31 -0.08 0.00 0.37 0.00 0.00 40.66 42.40 2wr5 h LEU 428 CO 0.11 -0.48 0.10 0.58 -0.34 0.00 0.00 178.44 178.42 2wr5 h VAL 429 N -0.70 0.68 -0.22 1.05 2.07 -1.13 -0.07 116.25 117.94 2wr5 h VAL 429 Ca -0.02 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 2wr5 h VAL 429 Cb 0.64 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2wr5 h VAL 429 CO -0.06 0.04 0.10 -0.07 0.02 0.00 0.00 177.57 177.60 2wr5 h LEU 430 N 0.24 0.29 -0.49 2.57 3.38 -1.05 -0.93 115.31 119.31 2wr5 h LEU 430 Ca 0.27 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.99 2wr5 h LEU 430 Cb 0.38 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2wr5 h LEU 430 CO -0.36 0.34 -0.14 0.24 0.09 0.00 0.00 178.44 178.61 2wr5 h MET 431 N 0.22 0.96 -0.03 1.13 2.86 -0.59 -2.52 114.93 116.96 2wr5 h MET 431 Ca 0.07 -0.38 -0.15 0.00 -2.06 0.00 0.00 59.70 57.19 2wr5 h MET 431 Cb 0.13 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 2wr5 h MET 431 CO -0.01 1.05 -0.66 0.93 1.06 0.00 0.00 176.91 179.29 2wr5 h GLU 432 N 0.82 0.12 -0.54 1.72 4.39 -0.97 -2.71 114.58 117.41 2wr5 h GLU 432 Ca 0.12 -0.09 -0.07 0.00 0.34 0.00 0.00 59.36 59.66 2wr5 h GLU 432 Cb 0.71 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 2wr5 h GLU 432 CO 0.05 0.73 0.07 -0.91 -1.16 0.00 0.00 179.01 177.79 2wr5 h ASN 433 N 0.09 0.82 0.22 1.42 2.35 -1.07 0.04 115.58 119.44 2wr5 h ASN 433 Ca -0.01 -0.18 -0.06 0.00 -0.55 0.00 0.00 56.30 55.50 2wr5 h ASN 433 Cb 1.17 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 39.32 2wr5 h ASN 433 CO 0.09 0.84 -0.25 -0.08 -1.65 0.00 0.00 177.43 176.39 2wr5 h GLU 434 N 0.81 0.07 0.00 0.81 4.81 -1.23 -2.67 114.58 117.18 2wr5 h GLU 434 Ca 0.17 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 2wr5 h GLU 434 Cb 0.39 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 2wr5 h GLU 434 CO 0.01 0.32 -0.66 0.00 -0.73 0.00 0.00 179.01 177.95 2wr5 h ARG 435 N 0.06 0.00 -0.09 1.92 3.08 -1.07 -2.89 114.38 115.40 2wr5 h ARG 435 Ca 0.01 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 2wr5 h ARG 435 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2wr5 h ARG 435 CO 0.03 0.15 -0.20 1.15 -1.07 0.00 0.00 179.97 180.03 2wr5 h THR 436 N 0.00 1.40 0.27 2.04 2.02 -0.77 -1.20 112.91 116.68 2wr5 h THR 436 Ca -0.03 -1.51 -0.01 0.00 0.77 0.00 0.00 66.41 65.63 2wr5 h THR 436 Cb 1.17 2.17 0.00 0.00 -1.74 0.00 0.00 68.15 69.76 2wr5 h THR 436 CO 0.02 0.43 -0.14 -0.07 0.37 0.00 0.00 175.52 176.14 2wr5 h LEU 437 N -0.18 -0.32 -1.85 2.58 3.38 -1.56 -1.55 115.31 115.81 2wr5 h LEU 437 Ca 0.00 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.12 2wr5 h LEU 437 Cb 0.79 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 2wr5 h LEU 437 CO 0.04 -0.23 0.40 0.44 0.09 0.00 0.00 178.44 179.18 2wr5 h ASP 438 N -0.37 0.15 0.42 -0.43 3.32 -1.53 -0.18 116.42 117.80 2wr5 h ASP 438 Ca -0.04 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 2wr5 h ASP 438 Cb 0.29 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2wr5 h ASP 438 CO 0.06 0.08 -0.20 0.15 -1.72 0.00 0.00 179.24 177.60 2wr5 h PHE 439 N 0.16 -0.53 -0.61 4.55 3.57 -0.26 0.22 116.94 124.04 2wr5 h PHE 439 Ca 0.27 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.77 2wr5 h PHE 439 Cb 0.86 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.74 2wr5 h PHE 439 CO -0.00 -0.28 0.39 0.45 -2.23 0.00 0.00 178.31 176.64 2wr5 h HIS 440 N -0.65 0.74 -0.85 0.41 3.86 -0.59 -1.32 115.15 116.75 2wr5 h HIS 440 Ca -0.06 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.24 2wr5 h HIS 440 Cb 0.48 -0.25 -0.05 0.00 1.06 0.00 0.00 27.41 28.65 2wr5 h HIS 440 CO -0.03 0.45 0.55 0.22 0.86 0.00 0.00 177.93 179.99 2wr5 h ASP 441 N 0.79 0.83 0.15 2.45 -0.00 -0.79 -1.52 116.42 118.32 2wr5 h ASP 441 Ca 0.23 0.01 -0.17 0.00 -0.00 0.00 0.00 57.03 57.09 2wr5 h ASP 441 Cb -0.05 -0.17 -0.00 0.00 -0.00 0.00 0.00 39.33 39.10 2wr5 h ASP 441 CO -0.07 0.53 -0.66 -1.28 -0.00 0.00 0.00 179.24 177.77 2wr5 h SER 442 N 0.94 0.55 -0.65 2.28 0.87 0.04 -2.59 113.55 114.99 2wr5 h SER 442 Ca 0.37 -0.33 -0.08 0.00 -1.23 0.00 0.00 61.79 60.51 2wr5 h SER 442 Cb 0.23 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 2wr5 h SER 442 CO -0.13 1.06 0.09 0.78 -0.53 0.00 0.00 176.83 178.09 2wr5 h ASN 443 N 0.34 1.05 -0.23 6.23 2.35 -0.39 -1.59 115.58 123.34 2wr5 h ASN 443 Ca -0.02 -0.27 -0.09 0.00 -0.55 0.00 0.00 56.30 55.37 2wr5 h ASN 443 Cb 1.22 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 39.30 2wr5 h ASN 443 CO 0.12 1.06 -0.22 0.58 -1.65 0.00 0.00 177.43 177.31 2wr5 h VAL 444 N 1.01 1.32 -0.28 2.81 2.07 -1.32 -2.27 116.25 119.59 2wr5 h VAL 444 Ca 0.20 -1.38 0.01 0.00 0.82 0.00 0.00 66.70 66.35 2wr5 h VAL 444 Cb 0.46 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 2wr5 h VAL 444 CO 0.02 0.43 0.18 0.50 0.02 0.00 0.00 177.57 178.72 2wr5 h LYS 445 N 0.26 0.34 0.00 1.57 1.63 -1.32 -0.65 116.57 118.41 2wr5 h LYS 445 Ca 0.04 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2wr5 h LYS 445 Cb 0.77 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.32 2wr5 h LYS 445 CO 0.06 0.23 -0.46 -0.91 -3.45 0.00 0.00 179.45 174.92 2wr5 h ASN 446 N 0.35 0.00 0.32 4.20 2.35 -1.26 -2.30 115.58 119.24 2wr5 h ASN 446 Ca 0.10 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 2wr5 h ASN 446 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2wr5 h ASN 446 CO -0.02 0.00 -0.16 0.25 -1.65 0.00 0.00 177.43 175.85 2wr5 h LEU 447 N 0.00 -0.37 -0.75 1.61 5.85 -0.67 -1.04 115.31 119.94 2wr5 h LEU 447 Ca 0.00 -0.15 0.17 0.00 0.84 0.00 0.00 57.88 58.74 2wr5 h LEU 447 Cb 0.99 0.10 -0.13 0.00 0.37 0.00 0.00 40.66 41.98 2wr5 h LEU 447 CO 0.00 0.09 0.02 0.22 -0.34 0.00 0.00 178.44 178.43 2wr5 h TYR 448 N -0.98 -0.03 0.00 1.25 3.20 -1.22 -0.24 116.97 118.96 2wr5 h TYR 448 Ca -0.04 0.05 -0.09 0.00 3.14 0.00 0.00 58.73 61.79 2wr5 h TYR 448 Cb 0.50 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 2wr5 h TYR 448 CO 0.04 -0.23 -0.45 -0.44 -1.64 0.00 0.00 178.16 175.43 2wr5 h ASP 449 N 0.11 0.00 0.07 -2.11 5.19 -1.43 -1.46 116.42 116.78 2wr5 h ASP 449 Ca 0.41 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.82 2wr5 h ASP 449 Cb 0.73 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.24 2wr5 h ASP 449 CO -0.66 0.45 0.00 1.17 -3.12 0.00 0.00 179.24 177.08 2wr5 n LYS 450 N -3.65 0.62 -0.03 3.56 4.81 -0.12 -2.21 118.16 121.14 2wr5 n LYS 450 Ca -0.01 0.02 -0.06 0.00 -0.87 0.00 0.00 58.31 57.39 2wr5 n LYS 450 Cb 0.53 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 34.06 2wr5 n LYS 450 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2wr5 n VAL 451 N -1.05 0.36 -0.01 3.15 0.31 -0.95 -4.61 118.33 115.53 2wr5 n VAL 451 Ca 0.15 -0.11 -0.09 0.00 -0.01 0.00 0.00 64.34 64.28 2wr5 n VAL 451 Cb 0.09 -1.18 -0.03 0.00 -0.91 0.00 0.00 33.84 31.82 2wr5 n VAL 451 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2wr5 h ARG 452 N -0.13 -0.24 0.00 5.55 2.43 -1.19 0.57 114.38 121.38 2wr5 h ARG 452 Ca -0.16 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 2wr5 h ARG 452 Cb 1.18 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2wr5 h ARG 452 CO -0.06 -0.16 0.00 -1.33 -1.51 0.00 0.00 179.97 176.91 2wr5 n MET 453 N -5.35 0.23 -0.01 0.20 2.81 -0.94 -1.80 117.12 112.27 2wr5 n MET 453 Ca -0.02 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.86 2wr5 n MET 453 Cb 0.26 -1.41 -0.01 0.00 -0.71 0.00 0.00 33.22 31.35 2wr5 n MET 453 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2wr5 n GLN 454 N -0.91 1.41 -0.03 0.03 7.27 -0.51 -4.81 117.38 119.83 2wr5 n GLN 454 Ca 0.04 0.01 -0.00 0.00 0.07 0.00 0.00 57.00 57.12 2wr5 n GLN 454 Cb 0.02 -1.03 -0.00 0.00 2.41 0.00 0.00 30.24 31.64 2wr5 n GLN 454 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 2wr5 h LEU 455 N 0.00 0.00 0.00 1.69 3.38 -0.70 -3.45 115.31 116.23 2wr5 h LEU 455 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2wr5 h LEU 455 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2wr5 h LEU 455 CO -0.00 0.26 0.00 0.54 0.09 0.00 0.00 178.44 179.33 2wr5 n ARG 456 N -3.34 0.00 0.04 1.13 1.74 -0.75 -3.25 116.66 112.23 2wr5 n ARG 456 Ca -0.01 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.08 2wr5 n ARG 456 Cb 0.02 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.39 2wr5 n ARG 456 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2wr5 n ASP 457 N 5.39 0.84 0.00 0.55 10.43 -1.26 -3.88 116.55 128.62 2wr5 n ASP 457 Ca 0.00 0.37 0.00 0.00 2.57 0.00 0.00 54.79 57.73 2wr5 n ASP 457 Cb 0.00 0.21 0.03 0.00 1.84 0.00 0.00 41.12 43.19 2wr5 n ASP 457 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 2wr5 n ASN 458 N -2.86 0.00 -3.50 -2.24 4.13 -1.20 -4.78 115.26 104.80 2wr5 n ASN 458 Ca -0.09 -1.50 -0.16 0.00 1.68 0.00 0.00 54.58 54.51 2wr5 n ASN 458 Cb 0.82 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 39.01 2wr5 n ASN 458 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2wr5 s VAL 459 N -2.00 0.00 0.11 2.41 -7.23 -1.25 0.23 120.40 112.67 2wr5 s VAL 459 Ca 0.01 -0.04 0.02 0.00 -1.81 0.00 0.00 61.98 60.17 2wr5 s VAL 459 Cb 0.01 -0.99 -0.04 0.00 0.56 0.00 0.00 36.38 35.92 2wr5 s VAL 459 CO 0.01 -0.02 0.19 -0.75 -0.31 0.00 0.00 175.10 174.22 2wr5 s LYS 460 N -2.14 3.22 -0.77 4.82 2.20 -0.42 -4.75 119.74 121.91 2wr5 s LYS 460 Ca -0.07 -0.61 -0.22 0.00 -0.36 0.00 0.00 55.97 54.72 2wr5 s LYS 460 Cb -0.00 -2.88 0.08 0.00 -1.51 0.00 0.00 37.83 33.51 2wr5 s LYS 460 CO 0.01 0.56 1.08 -1.21 -0.36 0.00 0.00 175.35 175.43 2wr5 s GLU 461 N -2.77 3.29 0.05 4.03 2.02 -1.26 -2.51 118.70 121.54 2wr5 s GLU 461 Ca 0.33 -1.07 -0.27 0.00 0.02 0.00 0.00 54.97 53.98 2wr5 s GLU 461 Cb -0.12 -4.51 -0.17 0.00 0.10 0.00 0.00 34.13 29.43 2wr5 s GLU 461 CO 0.26 -1.87 1.50 -0.07 0.02 0.00 0.00 175.26 175.10 2wr5 h LEU 462 N 11.35 -0.37 0.00 1.80 -0.00 -1.76 -3.49 115.31 122.84 2wr5 h LEU 462 Ca -0.12 -0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.68 2wr5 h LEU 462 Cb 1.05 0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 2wr5 h LEU 462 CO 1.19 -0.14 0.00 0.61 -0.00 0.00 0.00 178.44 180.10 2wr5 n GLY 463 N -0.87 1.42 1.86 0.83 0.00 -1.26 -4.97 105.19 102.20 2wr5 n GLY 463 Ca -0.10 -0.17 -0.04 0.00 0.00 0.00 0.00 46.02 45.71 2wr5 n GLY 463 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wr5 n ASN 464 N 0.00 3.87 -1.86 1.61 6.94 -1.26 -4.51 115.26 120.05 2wr5 n ASN 464 Ca 0.00 -2.11 -0.14 0.00 -0.02 0.00 0.00 54.58 52.31 2wr5 n ASN 464 Cb 0.00 -0.92 0.01 0.00 -2.36 0.00 0.00 39.78 36.51 2wr5 n ASN 464 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wr5 n GLY 465 N 2.08 -0.13 3.53 4.83 0.00 -1.26 -4.81 105.19 109.44 2wr5 n GLY 465 Ca 0.14 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 2wr5 n GLY 465 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr5 s PHE 467 N -1.12 2.69 -0.28 0.00 0.40 -0.18 -1.86 117.98 117.64 2wr5 s PHE 467 Ca 0.19 -1.59 -0.25 0.00 -0.60 0.00 0.00 56.93 54.68 2wr5 s PHE 467 Cb -0.11 -1.87 -0.00 0.00 0.51 0.00 0.00 43.02 41.55 2wr5 s PHE 467 CO 0.11 -0.79 0.84 -1.21 0.70 0.00 0.00 175.22 174.86 2wr5 s GLU 468 N 1.32 4.09 0.22 0.44 2.02 -1.04 -2.05 118.70 123.68 2wr5 s GLU 468 Ca 0.05 0.82 -0.30 0.00 0.02 0.00 0.00 54.97 55.56 2wr5 s GLU 468 Cb -0.13 -3.69 -0.08 0.00 0.10 0.00 0.00 34.13 30.33 2wr5 s GLU 468 CO -0.13 -0.62 1.16 -0.06 0.02 0.00 0.00 175.26 175.64 2wr5 s PHE 469 N 2.97 3.47 -1.03 1.61 0.40 -1.26 -1.29 117.98 122.85 2wr5 s PHE 469 Ca 0.35 1.52 -0.04 0.00 -0.60 0.00 0.00 56.93 58.17 2wr5 s PHE 469 Cb -0.14 -3.38 0.17 0.00 0.51 0.00 0.00 43.02 40.17 2wr5 s PHE 469 CO 0.10 -0.97 2.33 0.66 0.70 0.00 0.00 175.22 178.03 2wr5 n TYR 470 N 2.04 2.44 0.00 0.36 0.53 0.14 -4.93 117.16 117.74 2wr5 n TYR 470 Ca 0.02 -2.53 0.00 0.00 -1.02 0.00 0.00 57.90 54.37 2wr5 n TYR 470 Cb 0.45 -1.55 0.00 0.00 -1.03 0.00 0.00 39.34 37.21 2wr5 n TYR 470 CO 0.00 0.00 0.00 -2.39 -1.02 0.00 0.00 176.86 173.45 2wr5 n HIS 471 N 0.97 0.00 -2.42 -0.72 1.44 -1.26 -4.73 115.22 108.50 2wr5 n HIS 471 Ca 0.56 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.85 2wr5 n HIS 471 Cb 0.32 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.40 2wr5 n HIS 471 CO 0.00 0.00 0.00 -1.59 -2.81 0.00 0.00 176.34 171.94 2wr5 s LYS 472 N -2.00 3.36 -0.65 -1.40 0.00 -1.26 -4.96 119.74 112.84 2wr5 s LYS 472 Ca 0.00 0.46 -0.07 0.00 0.00 0.00 0.00 55.97 56.36 2wr5 s LYS 472 Cb 0.00 -4.10 0.17 0.00 0.00 0.00 0.00 37.83 33.90 2wr5 s LYS 472 CO 0.00 -1.87 0.50 0.00 0.00 0.00 0.00 175.35 173.98 2wr5 s ASP 474 N 1.41 1.17 0.47 0.00 -4.77 -1.26 -4.63 116.67 109.06 2wr5 s ASP 474 Ca 0.15 0.62 0.19 0.00 -3.30 0.00 0.00 52.55 50.21 2wr5 s ASP 474 Cb -0.19 -0.86 1.18 0.00 -1.09 0.00 0.00 42.92 41.97 2wr5 s ASP 474 CO -0.04 -3.97 1.95 0.44 0.70 0.00 0.00 175.17 174.25 2wr5 h ASP 475 N -2.48 0.24 1.79 2.11 5.19 -1.98 -0.58 116.42 120.72 2wr5 h ASP 475 Ca -0.45 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 2wr5 h ASP 475 Cb 1.29 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.76 2wr5 h ASP 475 CO 0.35 0.13 0.00 -0.33 -3.12 0.00 0.00 179.24 176.27 2wr5 h GLU 476 N 0.26 0.00 0.16 3.56 4.39 -2.00 -2.92 114.58 118.04 2wr5 h GLU 476 Ca 0.32 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.70 2wr5 h GLU 476 Cb 0.88 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.54 2wr5 h GLU 476 CO -0.07 0.00 -1.55 0.00 -1.16 0.00 0.00 179.01 176.23 2wr5 n MET 478 N -3.55 0.03 -0.00 0.00 2.81 -0.59 -0.96 117.12 114.85 2wr5 n MET 478 Ca -0.18 0.35 0.10 0.00 -1.81 0.00 0.00 57.70 56.16 2wr5 n MET 478 Cb 1.06 -1.50 -0.13 0.00 -0.71 0.00 0.00 33.22 31.94 2wr5 n MET 478 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2wr5 n ASN 479 N -1.41 0.67 0.14 7.83 5.15 -1.11 -3.18 115.26 123.34 2wr5 n ASN 479 Ca 0.01 -0.54 0.02 0.00 -0.60 0.00 0.00 54.58 53.48 2wr5 n ASN 479 Cb 0.04 1.41 0.05 0.00 -0.53 0.00 0.00 39.78 40.76 2wr5 n ASN 479 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 2wr5 h SER 480 N 0.00 0.00 0.03 1.20 4.64 -1.10 -2.98 113.55 115.34 2wr5 h SER 480 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 2wr5 h SER 480 Cb 0.67 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2wr5 h SER 480 CO 0.00 0.51 -0.55 0.58 -0.87 0.00 0.00 176.83 176.50 2wr5 h VAL 481 N 0.00 1.48 -0.93 0.95 2.07 -1.65 -0.56 116.25 117.61 2wr5 h VAL 481 Ca -0.01 -2.35 0.12 0.00 0.82 0.00 0.00 66.70 65.29 2wr5 h VAL 481 Cb 1.35 3.04 -0.07 0.00 -1.52 0.00 0.00 31.29 34.09 2wr5 h VAL 481 CO 0.07 0.57 0.60 0.11 0.02 0.00 0.00 177.57 178.93 2wr5 h LYS 482 N -0.83 0.84 -0.66 1.57 1.57 -1.64 -2.47 116.57 114.95 2wr5 h LYS 482 Ca -0.13 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.44 2wr5 h LYS 482 Cb 1.25 -0.19 -0.10 0.00 0.08 0.00 0.00 32.23 33.27 2wr5 h LYS 482 CO -0.02 0.56 0.19 0.27 -0.57 0.00 0.00 179.45 179.88 2wr5 n ASN 483 N -4.57 4.79 -0.38 0.86 6.94 -1.13 -4.95 115.26 116.82 2wr5 n ASN 483 Ca 0.17 -3.19 -0.05 0.00 -0.02 0.00 0.00 54.58 51.49 2wr5 n ASN 483 Cb 0.37 -0.72 -0.02 0.00 -2.36 0.00 0.00 39.78 37.06 2wr5 n ASN 483 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wr5 n GLY 484 N -0.12 0.61 2.57 4.83 0.00 -0.93 -4.90 105.19 107.24 2wr5 n GLY 484 Ca 0.37 -0.11 -0.27 0.00 0.00 0.00 0.00 46.02 46.01 2wr5 n GLY 484 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wr5 n THR 485 N -2.39 1.60 -4.73 2.61 -2.24 -0.26 -5.02 114.28 103.85 2wr5 n THR 485 Ca -0.05 -4.87 -0.33 0.00 -2.27 0.00 0.00 64.05 56.53 2wr5 n THR 485 Cb 0.40 -2.09 -0.13 0.00 -2.10 0.00 0.00 70.33 66.41 2wr5 n THR 485 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2wr5 s TYR 486 N -1.84 2.84 -0.22 4.78 5.04 -0.94 -4.58 117.35 122.43 2wr5 s TYR 486 Ca 0.34 -0.38 -0.12 0.00 -2.44 0.00 0.00 57.07 54.47 2wr5 s TYR 486 Cb 0.08 -1.79 -0.05 0.00 0.35 0.00 0.00 41.96 40.55 2wr5 s TYR 486 CO -0.09 -0.01 0.21 0.16 -1.34 0.00 0.00 175.55 174.48 2wr5 s ASP 487 N -0.08 6.22 -0.06 4.32 3.84 -1.26 -5.00 116.67 124.65 2wr5 s ASP 487 Ca -0.01 0.24 -0.25 0.00 -0.00 0.00 0.00 52.55 52.52 2wr5 s ASP 487 Cb -0.14 -2.13 -0.23 0.00 -1.38 0.00 0.00 42.92 39.04 2wr5 s ASP 487 CO 0.03 0.07 1.02 0.22 -0.00 0.00 0.00 175.17 176.51 2wr5 h TYR 488 N 7.25 0.18 -0.87 2.11 3.20 -1.95 -3.35 116.97 123.53 2wr5 h TYR 488 Ca -0.39 -0.09 0.15 0.00 3.14 0.00 0.00 58.73 61.54 2wr5 h TYR 488 Cb 1.16 -0.02 -0.15 0.00 1.54 0.00 0.00 36.73 39.26 2wr5 h TYR 488 CO 0.65 0.89 -0.33 -1.35 -1.64 0.00 0.00 178.16 176.38 2wr5 h PRO 489 N -0.58 -0.04 -0.93 1.82 0.11 -1.99 -2.30 132.00 128.09 2wr5 h PRO 489 Ca -0.02 0.00 0.18 0.00 0.11 0.00 0.00 66.00 66.27 2wr5 h PRO 489 Cb 0.93 0.01 -0.10 0.00 0.11 0.00 0.00 31.00 31.94 2wr5 h PRO 489 CO 0.03 -0.03 0.51 -0.22 -0.21 0.00 0.00 178.00 178.09 2wr5 h LYS 490 N -0.04 0.64 -3.23 1.05 3.64 -2.01 -3.22 116.57 113.40 2wr5 h LYS 490 Ca 0.35 -0.04 -0.79 0.00 -1.27 0.00 0.00 60.65 58.89 2wr5 h LYS 490 Cb 0.60 -0.14 -0.29 0.00 -0.41 0.00 0.00 32.23 31.99 2wr5 h LYS 490 CO -0.90 0.42 0.54 0.66 -2.27 0.00 0.00 179.45 177.91 2wr5 n TYR 491 N -4.85 3.85 -2.20 1.91 4.01 -0.87 -4.84 117.16 114.17 2wr5 n TYR 491 Ca 0.21 -3.35 -0.36 0.00 -0.16 0.00 0.00 57.90 54.25 2wr5 n TYR 491 Cb 0.53 -1.45 0.02 0.00 -0.31 0.00 0.00 39.34 38.14 2wr5 n TYR 491 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2wr5 n GLU 492 N 2.00 3.24 -3.55 -0.72 -0.58 -1.22 -4.87 120.64 114.93 2wr5 n GLU 492 Ca 0.25 -3.99 -0.41 0.00 -0.42 0.00 0.00 57.16 52.59 2wr5 n GLU 492 Cb 0.36 -2.28 -0.11 0.00 -0.57 0.00 0.00 31.44 28.84 2wr5 n GLU 492 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2wr5 s GLU 493 N -3.92 2.89 -0.75 3.49 2.02 -1.26 -5.04 118.70 116.14 2wr5 s GLU 493 Ca 0.49 -1.05 -0.19 0.00 0.02 0.00 0.00 54.97 54.24 2wr5 s GLU 493 Cb 0.40 -3.81 0.11 0.00 0.10 0.00 0.00 34.13 30.93 2wr5 s GLU 493 CO -0.31 -0.71 0.92 -1.21 0.02 0.00 0.00 175.26 173.98 2wr5 s GLU 494 N 1.60 3.30 -0.66 1.61 2.02 -1.26 -4.85 118.70 120.44 2wr5 s GLU 494 Ca 0.03 -1.44 -0.03 0.00 0.02 0.00 0.00 54.97 53.56 2wr5 s GLU 494 Cb -0.19 -4.49 0.26 0.00 0.10 0.00 0.00 34.13 29.81 2wr5 s GLU 494 CO 0.08 -1.67 2.27 0.43 0.02 0.00 0.00 175.26 176.38 2wr5 n SER 495 N 6.58 7.14 0.00 -0.19 7.64 -1.26 -5.22 113.62 128.31 2wr5 n SER 495 Ca 0.05 -3.58 0.00 0.00 1.01 0.00 0.00 58.87 56.36 2wr5 n SER 495 Cb 0.46 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 2wr5 n SER 495 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32