#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wlf n TYR 6 N 0.00 0.00 -3.78 1.12 4.11 -1.26 -4.43 117.16 112.92 2wlf n TYR 6 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.90 57.53 2wlf n TYR 6 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.22 2wlf n TYR 6 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 2wlf s SER 7 N 0.00 5.24 -0.06 9.48 0.15 0.11 -5.00 113.70 123.62 2wlf s SER 7 Ca 0.00 -1.78 0.02 0.00 0.70 0.00 0.00 55.95 54.88 2wlf s SER 7 Cb 0.00 -1.83 -0.03 0.00 -1.71 0.00 0.00 66.02 62.45 2wlf s SER 7 CO 0.00 -0.48 -0.09 -0.70 1.20 0.00 0.00 173.24 173.16 2wlf s GLU 8 N 1.21 2.67 -0.27 5.44 -6.30 -1.26 -1.36 118.70 118.84 2wlf s GLU 8 Ca 0.05 -0.60 -0.05 0.00 -2.50 0.00 0.00 54.97 51.87 2wlf s GLU 8 Cb -0.22 -2.52 0.14 0.00 0.00 0.00 0.00 34.13 31.53 2wlf s GLU 8 CO -0.03 0.65 0.52 -1.14 0.02 0.00 0.00 175.26 175.28 2wlf s GLN 9 N -0.77 0.47 0.00 4.30 0.74 0.11 -4.95 119.66 119.56 2wlf s GLN 9 Ca 0.12 1.00 0.00 0.00 0.05 0.00 0.00 55.36 56.53 2wlf s GLN 9 Cb -0.11 0.33 0.00 0.00 1.10 0.00 0.00 33.01 34.33 2wlf s GLN 9 CO 0.01 -0.46 0.00 0.41 -0.55 0.00 0.00 175.29 174.70 2wlf n GLY 10 N 5.41 0.41 3.71 2.59 0.00 -1.25 -1.88 105.19 114.18 2wlf n GLY 10 Ca -0.05 -1.70 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 2wlf n GLY 10 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wlf s ILE 11 N -2.53 5.37 -1.31 -0.61 -1.09 -1.21 -4.65 121.20 115.16 2wlf s ILE 11 Ca 0.00 0.25 -0.02 0.00 -2.23 0.00 0.00 60.65 58.66 2wlf s ILE 11 Cb 0.00 -3.51 0.01 0.00 -1.58 0.00 0.00 42.46 37.38 2wlf s ILE 11 CO 0.00 0.40 0.79 0.59 -1.23 0.00 0.00 174.94 175.50 2wlf n ASN 12 N 3.77 -1.86 -4.82 3.58 3.02 -1.26 -1.14 115.26 116.55 2wlf n ASN 12 Ca -0.15 -0.77 -0.37 0.00 -0.03 0.00 0.00 54.58 53.26 2wlf n ASN 12 Cb 0.52 -4.25 -0.06 0.00 -0.61 0.00 0.00 39.78 35.38 2wlf n ASN 12 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2wlf s ASN 13 N -4.22 6.97 -0.16 6.41 0.01 -1.26 -3.18 114.94 119.51 2wlf s ASN 13 Ca 0.09 1.23 0.01 0.00 -0.71 0.00 0.00 52.86 53.48 2wlf s ASN 13 Cb -0.04 -2.35 0.02 0.00 0.41 0.00 0.00 41.25 39.29 2wlf s ASN 13 CO 0.80 0.15 -0.16 -0.89 -1.51 0.00 0.00 177.10 175.49 2wlf s THR 14 N -1.35 1.74 -0.21 1.60 2.01 0.21 -4.95 115.64 114.69 2wlf s THR 14 Ca 0.36 -0.76 0.02 0.00 0.31 0.00 0.00 61.69 61.62 2wlf s THR 14 Cb -0.17 -1.62 0.04 0.00 0.01 0.00 0.00 72.50 70.76 2wlf s THR 14 CO 0.20 0.46 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.81 2wlf s ILE 15 N 1.42 2.02 -0.31 1.82 1.01 -1.26 -0.67 121.20 125.23 2wlf s ILE 15 Ca 0.05 -1.20 0.02 0.00 0.00 0.00 0.00 60.65 59.51 2wlf s ILE 15 Cb -0.13 -1.98 0.09 0.00 0.01 0.00 0.00 42.46 40.45 2wlf s ILE 15 CO -0.11 0.27 0.05 0.21 0.00 0.00 0.00 174.94 175.36 2wlf s ASN 16 N 1.24 4.34 -0.19 3.58 2.47 0.21 -4.98 114.94 121.60 2wlf s ASN 16 Ca -0.01 -1.81 0.01 0.00 0.42 0.00 0.00 52.86 51.47 2wlf s ASN 16 Cb -0.16 -1.25 0.03 0.00 -1.45 0.00 0.00 41.25 38.42 2wlf s ASN 16 CO -0.09 -0.37 -0.16 -0.63 -3.72 0.00 0.00 177.10 172.12 2wlf s ILE 17 N 1.26 1.94 0.31 -5.21 1.01 -1.26 -1.11 121.20 118.14 2wlf s ILE 17 Ca 0.08 -1.01 -0.29 0.00 0.00 0.00 0.00 60.65 59.43 2wlf s ILE 17 Cb -0.18 -1.84 -0.12 0.00 0.01 0.00 0.00 42.46 40.32 2wlf s ILE 17 CO -0.15 0.38 1.39 -0.24 0.00 0.00 0.00 174.94 176.33 2wlf n SER 18 N 4.62 3.03 0.11 3.58 2.88 -0.68 -4.82 113.62 122.35 2wlf n SER 18 Ca -0.18 1.18 0.09 0.00 -1.33 0.00 0.00 58.87 58.63 2wlf n SER 18 Cb 0.48 -1.50 0.44 0.00 -0.75 0.00 0.00 64.21 62.89 2wlf n SER 18 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2wlf n THR 19 N 1.11 1.17 0.54 2.46 -2.24 -1.26 -1.36 114.28 114.70 2wlf n THR 19 Ca 0.07 0.55 0.08 0.00 -2.27 0.00 0.00 64.05 62.48 2wlf n THR 19 Cb 0.35 -1.52 0.23 0.00 -2.10 0.00 0.00 70.33 67.30 2wlf n THR 19 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2wlf n THR 20 N -2.06 0.59 -4.60 4.28 -2.24 -1.26 -4.91 114.28 104.07 2wlf n THR 20 Ca -0.00 -0.62 -0.34 0.00 -2.27 0.00 0.00 64.05 60.82 2wlf n THR 20 Cb 0.08 0.38 -0.11 0.00 -2.10 0.00 0.00 70.33 68.57 2wlf n THR 20 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2wlf s SER 21 N -1.10 4.70 -0.08 3.42 0.01 -0.46 -3.24 113.70 116.95 2wlf s SER 21 Ca 0.33 -0.01 -0.18 0.00 1.31 0.00 0.00 55.95 57.41 2wlf s SER 21 Cb 0.17 -1.20 -0.05 0.00 0.21 0.00 0.00 66.02 65.16 2wlf s SER 21 CO 0.23 0.36 0.47 -0.76 0.41 0.00 0.00 173.24 173.96 2wlf s LEU 22 N -0.83 4.33 -0.13 2.44 1.02 0.50 -4.95 118.68 121.06 2wlf s LEU 22 Ca 0.13 0.88 0.15 0.00 0.02 0.00 0.00 54.13 55.31 2wlf s LEU 22 Cb -0.11 -2.69 0.31 0.00 0.02 0.00 0.00 46.19 43.71 2wlf s LEU 22 CO 0.02 0.08 1.16 0.35 0.02 0.00 0.00 176.35 177.97 2wlf n THR 23 N 3.18 1.71 -1.63 5.49 -2.24 -1.26 -0.59 114.28 118.94 2wlf n THR 23 Ca -0.09 -2.27 -0.59 0.00 -2.27 0.00 0.00 64.05 58.84 2wlf n THR 23 Cb 0.52 -0.11 -0.08 0.00 -2.10 0.00 0.00 70.33 68.56 2wlf n THR 23 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2wlf n ASN 24 N -1.13 1.35 -1.00 3.42 3.02 -1.25 -1.39 115.26 118.28 2wlf n ASN 24 Ca 0.15 1.13 -0.13 0.00 -0.03 0.00 0.00 54.58 55.70 2wlf n ASN 24 Cb 0.68 -1.05 -0.06 0.00 -0.61 0.00 0.00 39.78 38.75 2wlf n ASN 24 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wlf n ALA 25 N 3.34 -0.20 -2.83 5.41 0.00 -1.26 -1.13 120.51 123.84 2wlf n ALA 25 Ca 0.24 0.21 -0.36 0.00 0.00 0.00 0.00 53.44 53.53 2wlf n ALA 25 Cb 0.09 -1.63 -0.07 0.00 0.00 0.00 0.00 19.45 17.84 2wlf n ALA 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2wlf s THR 26 N -2.31 5.30 -0.24 0.00 2.01 -0.48 -3.28 115.64 116.63 2wlf s THR 26 Ca 0.00 0.13 -0.07 0.00 0.31 0.00 0.00 61.69 62.07 2wlf s THR 26 Cb 0.00 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 69.16 2wlf s THR 26 CO 0.00 0.58 0.05 -1.58 -0.69 0.00 0.00 174.62 172.98 2wlf s GLN 27 N -0.70 3.65 -0.22 4.92 -0.44 0.37 -4.32 119.66 122.93 2wlf s GLN 27 Ca 0.13 -0.49 -0.02 0.00 -2.50 0.00 0.00 55.36 52.49 2wlf s GLN 27 Cb -0.12 -3.27 0.01 0.00 -1.64 0.00 0.00 33.01 28.00 2wlf s GLN 27 CO 0.03 -0.14 -0.09 -1.17 0.50 0.00 0.00 175.29 174.41 2wlf s LEU 28 N 1.46 2.76 -0.11 3.68 2.96 -1.26 0.03 118.68 128.21 2wlf s LEU 28 Ca 0.06 -0.61 0.04 0.00 -0.22 0.00 0.00 54.13 53.39 2wlf s LEU 28 Cb -0.15 -1.64 0.00 0.00 0.50 0.00 0.00 46.19 44.90 2wlf s LEU 28 CO 0.03 -0.05 -0.23 -0.89 -1.32 0.00 0.00 176.35 173.89 2wlf s THR 29 N 1.38 2.05 -0.17 3.68 2.01 0.06 -0.71 115.64 123.94 2wlf s THR 29 Ca 0.04 -1.00 -0.00 0.00 0.31 0.00 0.00 61.69 61.03 2wlf s THR 29 Cb -0.15 -1.78 0.04 0.00 0.01 0.00 0.00 72.50 70.62 2wlf s THR 29 CO -0.06 0.56 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.67 2wlf s VAL 30 N 0.45 1.16 -0.19 3.82 1.01 -0.46 -0.31 120.40 125.88 2wlf s VAL 30 Ca -0.16 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 2wlf s VAL 30 Cb -0.17 -1.32 0.05 0.00 0.00 0.00 0.00 36.38 34.94 2wlf s VAL 30 CO 0.06 0.15 -0.02 -0.63 0.00 0.00 0.00 175.10 174.67 2wlf s ILE 31 N 1.61 1.00 -5.00 2.22 1.01 -0.03 0.09 121.20 122.10 2wlf s ILE 31 Ca 0.01 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.91 2wlf s ILE 31 Cb -0.15 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 41.00 2wlf s ILE 31 CO -0.08 -0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.42 2wlf n GLY 32 N 4.89 0.90 3.28 6.18 0.00 -0.79 -0.89 105.19 118.76 2wlf n GLY 32 Ca -0.11 -1.86 -0.23 0.00 0.00 0.00 0.00 46.02 43.83 2wlf n GLY 32 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wlf s ASN 33 N -4.00 2.47 -1.60 1.61 0.01 -1.16 -3.33 114.94 108.93 2wlf s ASN 33 Ca 0.00 -0.69 -0.04 0.00 -0.71 0.00 0.00 52.86 51.41 2wlf s ASN 33 Cb 0.00 -0.13 0.00 0.00 0.41 0.00 0.00 41.25 41.53 2wlf s ASN 33 CO 0.00 0.04 0.55 0.59 -1.51 0.00 0.00 177.10 176.77 2wlf n ASN 34 N 1.04 -6.17 -4.90 -1.22 3.02 -0.29 -0.71 115.26 106.03 2wlf n ASN 34 Ca -0.19 -0.26 -0.29 0.00 -0.03 0.00 0.00 54.58 53.81 2wlf n ASN 34 Cb 0.54 -5.00 -0.03 0.00 -0.61 0.00 0.00 39.78 34.68 2wlf n ASN 34 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2wlf s ASN 35 N -2.63 6.45 -0.07 6.41 0.01 -1.25 -2.97 114.94 120.89 2wlf s ASN 35 Ca 0.27 0.70 -0.03 0.00 -0.71 0.00 0.00 52.86 53.09 2wlf s ASN 35 Cb -0.12 -2.14 0.04 0.00 0.41 0.00 0.00 41.25 39.44 2wlf s ASN 35 CO 0.34 -0.17 0.14 -0.44 -1.51 0.00 0.00 177.10 175.46 2wlf s SER 36 N -3.09 0.13 -0.12 -1.22 0.01 0.09 -0.62 113.70 108.89 2wlf s SER 36 Ca 0.44 0.30 0.02 0.00 1.31 0.00 0.00 55.95 58.02 2wlf s SER 36 Cb -0.11 0.20 0.01 0.00 0.21 0.00 0.00 66.02 66.33 2wlf s SER 36 CO 0.29 -0.17 -0.18 -0.69 0.41 0.00 0.00 173.24 172.90 2wlf s VAL 37 N 1.48 1.71 -0.10 3.43 1.01 0.16 -0.75 120.40 127.33 2wlf s VAL 37 Ca -0.06 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.16 2wlf s VAL 37 Cb -0.12 -1.54 0.02 0.00 0.00 0.00 0.00 36.38 34.74 2wlf s VAL 37 CO -0.06 0.48 -0.13 -0.47 0.00 0.00 0.00 175.10 174.93 2wlf s TYR 38 N 0.87 1.76 -0.11 5.22 5.04 0.68 -0.62 117.35 130.18 2wlf s TYR 38 Ca -0.08 -0.82 0.02 0.00 -2.44 0.00 0.00 57.07 53.75 2wlf s TYR 38 Cb -0.15 -1.31 0.01 0.00 0.35 0.00 0.00 41.96 40.86 2wlf s TYR 38 CO -0.01 -0.46 -0.17 0.42 -1.34 0.00 0.00 175.55 174.00 2wlf s ILE 39 N 1.13 1.61 0.00 3.14 1.01 -0.26 -0.14 121.20 127.68 2wlf s ILE 39 Ca -0.05 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.89 2wlf s ILE 39 Cb -0.14 -1.46 0.00 0.00 0.01 0.00 0.00 42.46 40.87 2wlf s ILE 39 CO -0.03 0.46 0.00 0.61 0.00 0.00 0.00 174.94 175.98 2wlf n GLY 40 N 4.18 -0.59 3.82 6.18 0.00 0.44 -1.68 105.19 117.54 2wlf n GLY 40 Ca -0.19 -1.68 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 2wlf n GLY 40 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wlf s ASN 41 N -1.00 6.98 -1.49 1.61 0.02 -1.26 -4.11 114.94 115.68 2wlf s ASN 41 Ca 0.00 1.56 -0.07 0.00 -1.02 0.00 0.00 52.86 53.33 2wlf s ASN 41 Cb 0.00 -2.48 0.02 0.00 0.02 0.00 0.00 41.25 38.81 2wlf s ASN 41 CO 0.00 -0.21 0.73 0.59 0.02 0.00 0.00 177.10 178.24 2wlf n ASN 42 N -0.16 -5.85 -4.88 -1.22 3.02 -1.20 -0.63 115.26 104.34 2wlf n ASN 42 Ca 0.04 -0.38 -0.30 0.00 -0.03 0.00 0.00 54.58 53.91 2wlf n ASN 42 Cb 0.53 -4.71 -0.04 0.00 -0.61 0.00 0.00 39.78 34.95 2wlf n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wlf s LYS 44 N -3.35 1.05 -0.68 0.00 1.02 -0.59 -0.37 119.74 116.83 2wlf s LYS 44 Ca 0.48 -1.49 -0.09 0.00 0.02 0.00 0.00 55.97 54.89 2wlf s LYS 44 Cb -0.11 -2.42 0.18 0.00 -0.52 0.00 0.00 37.83 34.96 2wlf s LYS 44 CO 0.26 -1.00 0.56 0.42 -0.92 0.00 0.00 175.35 174.67 2wlf s ILE 45 N 1.16 4.62 0.18 2.17 -1.09 0.24 -0.48 121.20 128.01 2wlf s ILE 45 Ca 0.12 -2.51 0.09 0.00 -2.23 0.00 0.00 60.65 56.12 2wlf s ILE 45 Cb -0.19 -3.94 -0.04 0.00 -1.58 0.00 0.00 42.46 36.71 2wlf s ILE 45 CO -0.16 -0.92 -0.12 0.68 -1.23 0.00 0.00 174.94 173.19 2wlf s VAL 46 N 0.33 3.04 -1.00 2.92 -7.23 -0.24 -3.92 120.40 114.30 2wlf s VAL 46 Ca 0.15 -1.71 -0.06 0.00 -1.81 0.00 0.00 61.98 58.55 2wlf s VAL 46 Cb -0.18 -2.50 0.05 0.00 0.56 0.00 0.00 36.38 34.31 2wlf s VAL 46 CO -0.05 -0.10 0.25 -1.20 -0.31 0.00 0.00 175.10 173.69 2wlf n SER 47 N 0.11 -3.13 -4.76 4.85 7.64 -0.28 -1.78 113.62 116.27 2wlf n SER 47 Ca -0.11 -0.09 -0.23 0.00 1.01 0.00 0.00 58.87 59.45 2wlf n SER 47 Cb 0.55 -2.66 -0.06 0.00 -1.01 0.00 0.00 64.21 61.04 2wlf n SER 47 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2wlf s SER 48 N -2.40 4.83 -0.29 6.43 0.01 -1.24 -3.20 113.70 117.84 2wlf s SER 48 Ca 0.23 -0.70 -0.03 0.00 1.31 0.00 0.00 55.95 56.76 2wlf s SER 48 Cb -0.12 -0.79 0.10 0.00 0.21 0.00 0.00 66.02 65.41 2wlf s SER 48 CO 0.28 -0.31 0.11 0.21 0.41 0.00 0.00 173.24 173.94 2wlf s ASN 49 N -3.88 3.67 -0.28 2.44 3.84 0.11 -0.48 114.94 120.35 2wlf s ASN 49 Ca 0.38 -1.38 -0.04 0.00 0.21 0.00 0.00 52.86 52.02 2wlf s ASN 49 Cb -0.03 -0.57 0.02 0.00 -0.55 0.00 0.00 41.25 40.12 2wlf s ASN 49 CO 0.24 -0.42 0.03 -0.63 -2.79 0.00 0.00 177.10 173.52 2wlf s ILE 50 N 1.89 3.46 -0.21 -5.21 1.01 0.10 -1.06 121.20 121.19 2wlf s ILE 50 Ca 0.09 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 59.77 2wlf s ILE 50 Cb -0.17 -2.82 -0.00 0.00 0.01 0.00 0.00 42.46 39.48 2wlf s ILE 50 CO -0.30 0.07 -0.08 -0.60 0.00 0.00 0.00 174.94 174.04 2wlf s ARG 51 N 1.40 3.31 -0.36 2.79 3.52 0.14 -0.76 118.95 128.98 2wlf s ARG 51 Ca 0.00 -0.67 -0.05 0.00 -0.13 0.00 0.00 55.73 54.89 2wlf s ARG 51 Cb -0.18 -2.90 0.07 0.00 -1.56 0.00 0.00 34.95 30.38 2wlf s ARG 51 CO -0.00 -0.17 0.13 -0.51 -0.81 0.00 0.00 175.30 173.95 2wlf s LEU 52 N 1.35 4.60 -0.28 -0.88 1.02 0.58 -1.25 118.68 123.83 2wlf s LEU 52 Ca 0.04 -1.45 0.03 0.00 0.02 0.00 0.00 54.13 52.77 2wlf s LEU 52 Cb -0.14 -1.85 0.07 0.00 0.02 0.00 0.00 46.19 44.29 2wlf s LEU 52 CO -0.04 -0.40 -0.06 -0.75 0.02 0.00 0.00 176.35 175.11 2wlf s LYS 53 N 1.31 1.95 0.00 1.70 2.47 -0.77 -0.86 119.74 125.55 2wlf s LYS 53 Ca 0.01 -1.46 0.00 0.00 -1.56 0.00 0.00 55.97 52.96 2wlf s LYS 53 Cb -0.21 -2.93 0.00 0.00 -1.46 0.00 0.00 37.83 33.23 2wlf s LYS 53 CO 0.00 -0.68 0.00 0.41 0.16 0.00 0.00 175.35 175.24 2wlf n GLY 54 N 4.41 0.87 3.35 5.54 0.00 -0.07 -3.48 105.19 115.80 2wlf n GLY 54 Ca -0.09 -1.79 -0.23 0.00 0.00 0.00 0.00 46.02 43.91 2wlf n GLY 54 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wlf s ASN 55 N -4.00 2.84 -1.43 1.61 0.01 -1.26 -3.01 114.94 109.70 2wlf s ASN 55 Ca 0.00 -0.84 -0.10 0.00 -0.71 0.00 0.00 52.86 51.21 2wlf s ASN 55 Cb 0.00 -0.18 0.03 0.00 0.41 0.00 0.00 41.25 41.51 2wlf s ASN 55 CO 0.00 0.01 1.05 0.59 -1.51 0.00 0.00 177.10 177.24 2wlf n ASN 56 N 0.37 -5.92 -4.89 -1.22 5.03 0.11 -0.02 115.26 108.73 2wlf n ASN 56 Ca -0.14 -0.57 -0.33 0.00 0.87 0.00 0.00 54.58 54.41 2wlf n ASN 56 Cb 0.56 -4.69 -0.05 0.00 -1.02 0.00 0.00 39.78 34.58 2wlf n ASN 56 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2wlf s ILE 57 N -3.29 5.22 -0.01 2.41 1.01 -1.25 -3.50 121.20 121.79 2wlf s ILE 57 Ca 0.57 0.15 0.04 0.00 0.00 0.00 0.00 60.65 61.41 2wlf s ILE 57 Cb -0.26 -3.61 -0.01 0.00 0.01 0.00 0.00 42.46 38.59 2wlf s ILE 57 CO 0.71 0.24 -0.14 0.42 0.00 0.00 0.00 174.94 176.17 2wlf s THR 58 N -1.44 1.07 -0.10 2.92 -4.23 -0.73 -0.73 115.64 112.39 2wlf s THR 58 Ca 0.33 -0.58 0.00 0.00 -1.18 0.00 0.00 61.69 60.27 2wlf s THR 58 Cb -0.13 -0.89 0.02 0.00 1.34 0.00 0.00 72.50 72.84 2wlf s THR 58 CO 0.20 0.30 -0.09 -0.22 -0.54 0.00 0.00 174.62 174.27 2wlf s LEU 59 N -0.30 1.33 -0.16 4.79 2.96 0.07 -1.98 118.68 125.39 2wlf s LEU 59 Ca 0.05 -0.31 -0.00 0.00 -0.22 0.00 0.00 54.13 53.65 2wlf s LEU 59 Cb -0.05 -0.85 0.04 0.00 0.50 0.00 0.00 46.19 45.82 2wlf s LEU 59 CO -0.00 -0.08 -0.07 0.12 -1.32 0.00 0.00 176.35 175.00 2wlf s PHE 60 N 1.43 1.78 -0.16 5.38 5.36 0.18 -0.23 117.98 131.72 2wlf s PHE 60 Ca -0.00 -1.08 0.02 0.00 -0.96 0.00 0.00 56.93 54.90 2wlf s PHE 60 Cb -0.13 -1.36 0.01 0.00 -0.34 0.00 0.00 43.02 41.20 2wlf s PHE 60 CO -0.05 -0.61 -0.21 0.42 -1.46 0.00 0.00 175.22 173.30 2wlf s ILE 61 N 1.61 2.08 0.00 3.12 1.01 0.80 -0.37 121.20 129.45 2wlf s ILE 61 Ca 0.02 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.71 2wlf s ILE 61 Cb -0.15 -1.85 0.00 0.00 0.01 0.00 0.00 42.46 40.47 2wlf s ILE 61 CO -0.08 0.54 0.00 0.00 0.00 0.00 0.00 174.94 175.40 2wlf n ALA 62 N 4.31 0.00 -1.79 9.38 0.00 -0.32 -0.42 120.51 131.66 2wlf n ALA 62 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.89 2wlf n ALA 62 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.93 2wlf n ALA 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wlf s ASP 63 N -1.00 6.31 -1.27 0.00 1.01 -1.26 -3.85 116.67 116.61 2wlf s ASP 63 Ca 0.00 1.98 0.00 0.00 0.71 0.00 0.00 52.55 55.24 2wlf s ASP 63 Cb 0.00 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.36 2wlf s ASP 63 CO 0.00 -0.80 0.00 0.47 0.21 0.00 0.00 175.17 175.05 2wlf n ASP 64 N -0.89 -4.39 -4.78 0.27 8.00 0.20 -1.91 116.55 113.05 2wlf n ASP 64 Ca 0.09 0.10 -0.38 0.00 0.71 0.00 0.00 54.79 55.31 2wlf n ASP 64 Cb 0.52 -3.41 -0.06 0.00 -0.02 0.00 0.00 41.12 38.15 2wlf n ASP 64 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wlf s VAL 65 N -2.63 5.04 -0.12 2.53 1.01 -1.25 -3.21 120.40 121.76 2wlf s VAL 65 Ca 0.00 0.96 0.01 0.00 0.00 0.00 0.00 61.98 62.96 2wlf s VAL 65 Cb 0.00 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.60 2wlf s VAL 65 CO 0.00 0.47 -0.16 -1.61 0.00 0.00 0.00 175.10 173.80 2wlf s GLU 66 N -0.37 2.36 -0.03 2.72 2.02 -0.54 -1.54 118.70 123.31 2wlf s GLU 66 Ca 0.26 -0.60 0.02 0.00 0.02 0.00 0.00 54.97 54.66 2wlf s GLU 66 Cb -0.17 -2.02 0.01 0.00 0.10 0.00 0.00 34.13 32.06 2wlf s GLU 66 CO 0.13 -0.10 -0.06 0.42 0.02 0.00 0.00 175.26 175.68 2wlf s ILE 67 N 1.09 0.58 -0.13 -1.63 1.01 0.37 -0.17 121.20 122.32 2wlf s ILE 67 Ca -0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 60.65 60.39 2wlf s ILE 67 Cb -0.14 -0.56 0.04 0.00 0.01 0.00 0.00 42.46 41.81 2wlf s ILE 67 CO -0.04 0.21 0.02 -0.32 0.00 0.00 0.00 174.94 174.81 2wlf s MET 68 N 0.54 0.61 -0.14 2.79 1.75 -0.23 -1.08 119.30 123.54 2wlf s MET 68 Ca -0.07 -0.11 0.00 0.00 -1.25 0.00 0.00 55.69 54.25 2wlf s MET 68 Cb -0.11 -1.47 0.00 0.00 2.84 0.00 0.00 34.83 36.09 2wlf s MET 68 CO 0.00 -0.45 0.00 0.41 -0.65 0.00 0.00 175.02 174.33 2wlf n GLY 69 N 5.11 0.37 3.71 2.11 0.00 -0.73 -1.64 105.19 114.13 2wlf n GLY 69 Ca -0.08 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 2wlf n GLY 69 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wlf s LEU 70 N -0.40 4.37 -0.34 0.99 2.96 -1.26 -2.82 118.68 122.18 2wlf s LEU 70 Ca 0.00 2.12 -0.04 0.00 -0.22 0.00 0.00 54.13 55.99 2wlf s LEU 70 Cb 0.00 -3.58 0.06 0.00 0.50 0.00 0.00 46.19 43.17 2wlf s LEU 70 CO 0.00 -0.53 0.09 -0.69 -1.32 0.00 0.00 176.35 173.90 2wlf s VAL 71 N 1.05 3.40 -0.07 1.68 1.01 0.41 0.03 120.40 127.91 2wlf s VAL 71 Ca 0.61 -1.41 0.05 0.00 0.00 0.00 0.00 61.98 61.23 2wlf s VAL 71 Cb -0.32 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 2wlf s VAL 71 CO 0.30 -0.25 -0.23 0.00 0.00 0.00 0.00 175.10 174.91 2wlf s SER 73 N 0.02 2.90 -0.07 0.00 0.15 -0.51 -0.69 113.70 115.51 2wlf s SER 73 Ca -0.08 -0.74 0.03 0.00 0.70 0.00 0.00 55.95 55.87 2wlf s SER 73 Cb -0.15 -0.82 -0.02 0.00 -1.71 0.00 0.00 66.02 63.32 2wlf s SER 73 CO 0.05 -0.23 -0.16 -0.76 1.20 0.00 0.00 173.24 173.34 2wlf s LEU 74 N 1.69 2.63 0.00 3.45 2.01 -0.38 -1.08 118.68 127.01 2wlf s LEU 74 Ca -0.00 -0.27 0.02 0.00 0.01 0.00 0.00 54.13 53.89 2wlf s LEU 74 Cb -0.16 -1.54 0.02 0.00 0.01 0.00 0.00 46.19 44.52 2wlf s LEU 74 CO -0.07 0.29 0.20 1.41 1.01 0.00 0.00 176.35 179.18 2wlf n HIS 75 N 2.68 -1.39 -1.66 0.29 8.25 -0.87 -1.85 115.22 120.67 2wlf n HIS 75 Ca -0.17 -0.95 -0.45 0.00 -0.26 0.00 0.00 57.72 55.88 2wlf n HIS 75 Cb 0.52 -0.19 -0.03 0.00 1.12 0.00 0.00 29.99 31.41 2wlf n HIS 75 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2wlf n SER 76 N -2.07 2.65 -1.35 0.41 7.64 -1.23 -1.80 113.62 117.88 2wlf n SER 76 Ca 0.00 1.14 -0.17 0.00 1.01 0.00 0.00 58.87 60.86 2wlf n SER 76 Cb 0.26 -1.41 -0.06 0.00 -1.01 0.00 0.00 64.21 61.98 2wlf n SER 76 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2wlf n ASP 77 N 2.19 -5.01 -4.97 6.43 8.00 0.98 -3.82 116.55 120.36 2wlf n ASP 77 Ca 0.12 0.37 -0.22 0.00 0.71 0.00 0.00 54.79 55.77 2wlf n ASP 77 Cb 0.31 -4.00 0.03 0.00 -0.02 0.00 0.00 41.12 37.44 2wlf n ASP 77 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wlf s SER 79 N -4.35 -0.53 -0.10 0.00 0.15 -0.78 -1.77 113.70 106.32 2wlf s SER 79 Ca 0.54 0.94 0.02 0.00 0.70 0.00 0.00 55.95 58.14 2wlf s SER 79 Cb -0.10 0.84 0.01 0.00 -1.71 0.00 0.00 66.02 65.06 2wlf s SER 79 CO 0.38 -0.20 -0.16 -0.22 1.20 0.00 0.00 173.24 174.24 2wlf s LEU 80 N 1.48 1.78 -0.05 3.45 2.96 -0.84 -0.88 118.68 126.58 2wlf s LEU 80 Ca -0.09 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 53.41 2wlf s LEU 80 Cb -0.08 -1.11 0.01 0.00 0.50 0.00 0.00 46.19 45.50 2wlf s LEU 80 CO -0.13 0.04 -0.13 0.00 -1.32 0.00 0.00 176.35 174.80 2wlf s GLN 81 N 0.87 1.59 -0.16 1.98 -2.07 -0.76 -0.65 119.66 120.46 2wlf s GLN 81 Ca -0.09 -0.45 0.00 0.00 -1.82 0.00 0.00 55.36 53.00 2wlf s GLN 81 Cb -0.15 -1.36 0.03 0.00 -1.09 0.00 0.00 33.01 30.44 2wlf s GLN 81 CO 0.00 0.11 -0.12 0.42 -1.32 0.00 0.00 175.29 174.38 2wlf s ILE 82 N 0.39 1.49 0.85 3.63 1.01 0.50 -0.85 121.20 128.22 2wlf s ILE 82 Ca -0.09 -0.68 -0.09 0.00 0.00 0.00 0.00 60.65 59.79 2wlf s ILE 82 Cb -0.13 -1.47 0.17 0.00 0.01 0.00 0.00 42.46 41.04 2wlf s ILE 82 CO 0.03 0.36 1.17 -1.10 0.00 0.00 0.00 174.94 175.39 2wlf s GLN 83 N 1.50 1.10 0.36 2.79 -1.52 0.08 -1.18 119.66 122.80 2wlf s GLN 83 Ca 0.03 -0.78 -0.28 0.00 -1.95 0.00 0.00 55.36 52.38 2wlf s GLN 83 Cb -0.14 -2.08 -0.10 0.00 -0.22 0.00 0.00 33.01 30.47 2wlf s GLN 83 CO -0.10 -1.97 1.34 0.00 -0.25 0.00 0.00 175.29 174.31 2wlf s ALA 84 N -3.54 3.44 -0.08 6.09 0.00 -1.26 -3.28 121.76 123.13 2wlf s ALA 84 Ca 0.71 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.98 2wlf s ALA 84 Cb -0.04 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.57 2wlf s ALA 84 CO 0.49 -0.77 0.00 1.63 0.00 0.00 0.00 175.76 177.11 2wlf n LYS 85 N 0.54 -0.37 -2.67 0.00 5.02 -0.80 -0.18 118.16 119.70 2wlf n LYS 85 Ca 0.01 0.19 -0.40 0.00 -2.02 0.00 0.00 58.31 56.09 2wlf n LYS 85 Cb 0.42 -3.55 -0.05 0.00 -0.02 0.00 0.00 35.03 31.82 2wlf n LYS 85 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2wlf s THR 86 N -1.87 3.99 0.02 -0.18 2.01 -1.21 -4.07 115.64 114.34 2wlf s THR 86 Ca 0.00 1.93 0.07 0.00 0.31 0.00 0.00 61.69 64.00 2wlf s THR 86 Cb 0.00 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.25 2wlf s THR 86 CO 0.00 0.43 -0.21 0.42 -0.69 0.00 0.00 174.62 174.57 2wlf s THR 87 N -0.94 2.52 -0.07 -0.82 -4.23 0.10 -1.47 115.64 110.74 2wlf s THR 87 Ca 0.43 -1.17 -0.03 0.00 -1.18 0.00 0.00 61.69 59.75 2wlf s THR 87 Cb -0.27 -2.00 0.04 0.00 1.34 0.00 0.00 72.50 71.61 2wlf s THR 87 CO 0.34 0.42 0.15 -0.04 -0.54 0.00 0.00 174.62 174.95 2wlf s MET 88 N -1.15 0.08 0.00 3.99 -1.94 0.77 -1.22 119.30 119.83 2wlf s MET 88 Ca 0.13 0.39 0.00 0.00 -1.71 0.00 0.00 55.69 54.50 2wlf s MET 88 Cb -0.10 -0.19 0.00 0.00 2.01 0.00 0.00 34.83 36.54 2wlf s MET 88 CO 0.03 -0.18 0.00 0.41 -0.01 0.00 0.00 175.02 175.26 2wlf n GLY 89 N 4.35 0.78 3.75 -0.03 0.00 -0.13 -1.07 105.19 112.84 2wlf n GLY 89 Ca -0.24 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 2wlf n GLY 89 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wlf s ASN 90 N -1.00 6.98 -0.04 1.61 0.02 -0.65 -4.22 114.94 117.63 2wlf s ASN 90 Ca 0.00 2.41 -0.15 0.00 -1.02 0.00 0.00 52.86 54.09 2wlf s ASN 90 Cb 0.00 -2.62 0.05 0.00 0.02 0.00 0.00 41.25 38.70 2wlf s ASN 90 CO 0.00 -0.43 0.68 0.61 0.02 0.00 0.00 177.10 177.99 2wlf n GLY 91 N 1.76 0.26 2.93 0.66 0.00 -1.13 0.42 105.19 110.09 2wlf n GLY 91 Ca 0.03 -0.91 -0.19 0.00 0.00 0.00 0.00 46.02 44.95 2wlf n GLY 91 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wlf s GLU 92 N -2.00 0.81 -0.07 1.61 2.12 -0.76 -0.45 118.70 119.95 2wlf s GLU 92 Ca 0.16 -0.16 0.03 0.00 0.36 0.00 0.00 54.97 55.36 2wlf s GLU 92 Cb -0.00 -0.79 0.01 0.00 0.26 0.00 0.00 34.13 33.61 2wlf s GLU 92 CO -0.01 -0.01 -0.15 0.42 -0.54 0.00 0.00 175.26 174.96 2wlf s ILE 93 N 0.61 1.37 -0.07 -3.70 1.01 -0.41 -1.26 121.20 118.75 2wlf s ILE 93 Ca -0.08 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 59.97 2wlf s ILE 93 Cb -0.12 -1.23 0.01 0.00 0.01 0.00 0.00 42.46 41.14 2wlf s ILE 93 CO 0.00 0.41 -0.11 -0.89 0.00 0.00 0.00 174.94 174.35 2wlf s THR 94 N 0.59 1.10 -0.06 2.92 2.01 -0.11 -1.42 115.64 120.67 2wlf s THR 94 Ca -0.16 -0.44 0.02 0.00 0.31 0.00 0.00 61.69 61.41 2wlf s THR 94 Cb -0.16 -1.02 0.02 0.00 0.01 0.00 0.00 72.50 71.35 2wlf s THR 94 CO 0.05 0.35 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.62 2wlf s ILE 95 N 0.78 0.84 0.00 1.82 1.01 -0.24 -2.73 121.20 122.69 2wlf s ILE 95 Ca -0.12 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.23 2wlf s ILE 95 Cb -0.15 -0.81 0.00 0.00 0.01 0.00 0.00 42.46 41.50 2wlf s ILE 95 CO 0.02 0.29 0.00 0.00 0.00 0.00 0.00 174.94 175.26 2wlf n ALA 96 N 4.00 0.00 -3.62 9.38 0.00 -1.26 -2.05 120.51 126.95 2wlf n ALA 96 Ca -0.23 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 52.94 2wlf n ALA 96 Cb 0.51 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.97 2wlf n ALA 96 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wlf n GLU 97 N 0.00 -4.35 -2.97 0.00 1.02 -1.26 -2.28 120.64 110.80 2wlf n GLU 97 Ca 0.00 0.56 -0.20 0.00 -0.02 0.00 0.00 57.16 57.50 2wlf n GLU 97 Cb 0.00 -5.36 0.00 0.00 -0.02 0.00 0.00 31.44 26.06 2wlf n GLU 97 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2wlf n LYS 98 N -4.19 -3.36 -1.83 3.49 5.02 -1.25 -4.95 118.16 111.09 2wlf n LYS 98 Ca 0.01 0.64 -0.07 0.00 -2.02 0.00 0.00 58.31 56.87 2wlf n LYS 98 Cb 0.54 -5.36 0.01 0.00 -0.02 0.00 0.00 35.03 30.20 2wlf n LYS 98 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wlf n GLY 99 N -1.15 2.35 3.07 0.72 0.00 -0.96 -4.69 105.19 104.53 2wlf n GLY 99 Ca -0.09 -2.18 -0.08 0.00 0.00 0.00 0.00 46.02 43.67 2wlf n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wlf s LYS 100 N -2.74 0.54 -0.03 1.61 -2.85 -1.26 -1.87 119.74 113.14 2wlf s LYS 100 Ca 0.15 -1.02 0.03 0.00 -1.00 0.00 0.00 55.97 54.12 2wlf s LYS 100 Cb -0.01 0.10 0.00 0.00 -2.06 0.00 0.00 37.83 35.86 2wlf s LYS 100 CO 0.09 -0.07 -0.12 0.42 0.10 0.00 0.00 175.35 175.77 2wlf s ILE 101 N -3.00 1.04 -0.04 3.79 1.01 -0.06 -2.51 121.20 121.43 2wlf s ILE 101 Ca -0.00 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.16 2wlf s ILE 101 Cb 0.01 -0.91 0.01 0.00 0.01 0.00 0.00 42.46 41.58 2wlf s ILE 101 CO -0.06 0.31 -0.08 -0.55 0.00 0.00 0.00 174.94 174.56 2wlf s SER 102 N 0.11 1.22 -0.08 3.58 0.15 -0.61 -1.84 113.70 116.24 2wlf s SER 102 Ca -0.03 -0.19 0.02 0.00 0.70 0.00 0.00 55.95 56.45 2wlf s SER 102 Cb -0.10 -0.42 0.01 0.00 -1.71 0.00 0.00 66.02 63.80 2wlf s SER 102 CO 0.01 0.03 -0.13 -0.63 1.20 0.00 0.00 173.24 173.72 2wlf s ILE 103 N 0.42 1.24 0.00 6.45 1.01 -0.03 -1.23 121.20 129.07 2wlf s ILE 103 Ca -0.07 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.06 2wlf s ILE 103 Cb -0.11 -1.14 0.00 0.00 0.01 0.00 0.00 42.46 41.22 2wlf s ILE 103 CO 0.01 0.38 0.00 0.61 0.00 0.00 0.00 174.94 175.94 2wlf n GLY 104 N 3.96 -1.70 3.79 6.18 0.00 0.09 -0.74 105.19 116.77 2wlf n GLY 104 Ca -0.21 -1.57 -0.35 0.00 0.00 0.00 0.00 46.02 43.89 2wlf n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wlf s LYS 105 N -2.92 4.15 -1.51 1.61 1.02 -1.26 -3.56 119.74 117.27 2wlf s LYS 105 Ca 0.00 1.37 -0.12 0.00 0.02 0.00 0.00 55.97 57.24 2wlf s LYS 105 Cb 0.00 -2.40 0.08 0.00 -0.52 0.00 0.00 37.83 34.99 2wlf s LYS 105 CO 0.00 -0.13 0.92 -3.47 -0.92 0.00 0.00 175.35 171.76 2wlf n ASP 106 N -0.31 -4.13 -4.89 2.83 2.03 0.75 0.67 116.55 113.50 2wlf n ASP 106 Ca 0.06 -0.80 -0.29 0.00 0.52 0.00 0.00 54.79 54.28 2wlf n ASP 106 Cb 0.51 -3.82 -0.01 0.00 -0.72 0.00 0.00 41.12 37.08 2wlf n ASP 106 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2wlf s MET 108 N -4.58 1.25 -0.29 0.00 1.75 0.08 -0.72 119.30 116.80 2wlf s MET 108 Ca 0.50 -0.88 -0.04 0.00 -1.25 0.00 0.00 55.69 54.03 2wlf s MET 108 Cb -0.10 -2.42 0.03 0.00 2.84 0.00 0.00 34.83 35.17 2wlf s MET 108 CO 0.43 -0.66 0.02 -0.51 -0.65 0.00 0.00 175.02 173.64 2wlf s LEU 109 N 1.53 3.75 0.75 4.11 1.02 -0.36 -0.63 118.68 128.85 2wlf s LEU 109 Ca -0.02 -0.99 -0.11 0.00 0.02 0.00 0.00 54.13 53.02 2wlf s LEU 109 Cb -0.18 -1.77 0.04 0.00 0.02 0.00 0.00 46.19 44.30 2wlf s LEU 109 CO -0.09 -0.22 1.10 0.00 0.02 0.00 0.00 176.35 177.17 2wlf s ALA 110 N 1.36 2.61 0.33 4.21 0.00 -0.52 -0.96 121.76 128.79 2wlf s ALA 110 Ca -0.01 -0.28 -0.27 0.00 0.00 0.00 0.00 51.96 51.40 2wlf s ALA 110 Cb -0.18 -3.06 -0.13 0.00 0.00 0.00 0.00 23.12 19.75 2wlf s ALA 110 CO -0.01 -1.40 1.01 0.72 0.00 0.00 0.00 175.76 176.09 2wlf n HIS 111 N -3.20 1.25 -0.27 0.00 8.25 -1.26 -3.36 115.22 116.64 2wlf n HIS 111 Ca 0.07 0.65 0.00 0.00 -0.26 0.00 0.00 57.72 58.18 2wlf n HIS 111 Cb 0.57 -2.25 0.00 0.00 1.12 0.00 0.00 29.99 29.43 2wlf n HIS 111 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wlf n GLY 112 N 1.19 0.83 3.75 -1.41 0.00 0.17 -1.59 105.19 108.13 2wlf n GLY 112 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 2wlf n GLY 112 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wlf s TYR 113 N -2.08 2.41 -0.07 1.61 1.13 -1.21 -3.73 117.35 115.41 2wlf s TYR 113 Ca 0.00 1.51 -0.02 0.00 -1.41 0.00 0.00 57.07 57.15 2wlf s TYR 113 Cb 0.00 -3.50 0.03 0.00 -1.10 0.00 0.00 41.96 37.40 2wlf s TYR 113 CO 0.00 -2.21 0.04 -2.00 -2.51 0.00 0.00 175.55 168.87 2wlf s GLU 114 N -3.26 0.22 -0.07 -3.49 2.12 0.12 -1.84 118.70 112.51 2wlf s GLU 114 Ca 0.76 0.20 0.03 0.00 0.36 0.00 0.00 54.97 56.32 2wlf s GLU 114 Cb -0.31 -0.86 0.01 0.00 0.26 0.00 0.00 34.13 33.23 2wlf s GLU 114 CO 0.34 -0.36 -0.15 0.42 -0.54 0.00 0.00 175.26 174.97 2wlf s ILE 115 N 2.08 1.31 -0.14 -3.70 1.01 -0.39 0.40 121.20 121.77 2wlf s ILE 115 Ca 0.04 -0.59 -0.15 0.00 0.00 0.00 0.00 60.65 59.95 2wlf s ILE 115 Cb -0.13 -1.18 0.04 0.00 0.01 0.00 0.00 42.46 41.20 2wlf s ILE 115 CO -0.05 0.39 0.42 0.00 0.00 0.00 0.00 174.94 175.71 2wlf s ARG 116 N 0.58 0.53 0.00 2.79 1.70 -0.72 -0.94 118.95 122.89 2wlf s ARG 116 Ca -0.15 0.50 0.23 0.00 -0.47 0.00 0.00 55.73 55.85 2wlf s ARG 116 Cb -0.16 0.26 0.47 0.00 -0.57 0.00 0.00 34.95 34.95 2wlf s ARG 116 CO 0.05 -0.08 1.43 0.27 -1.08 0.00 0.00 175.30 175.88 2wlf n ASN 117 N 2.63 3.42 -3.89 -2.89 6.94 -1.10 -2.30 115.26 118.06 2wlf n ASN 117 Ca -0.14 -1.98 -0.10 0.00 -0.02 0.00 0.00 54.58 52.33 2wlf n ASN 117 Cb 0.57 -0.27 -0.10 0.00 -2.36 0.00 0.00 39.78 37.62 2wlf n ASN 117 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2wlf s THR 118 N -1.46 0.10 -1.00 5.53 -1.32 -1.26 -1.39 115.64 114.83 2wlf s THR 118 Ca 0.40 -0.82 0.26 0.00 -1.21 0.00 0.00 61.69 60.32 2wlf s THR 118 Cb 0.23 -0.58 0.09 0.00 -1.51 0.00 0.00 72.50 70.74 2wlf s THR 118 CO 0.32 -0.45 1.61 0.47 -2.21 0.00 0.00 174.62 174.35 2wlf n ASP 119 N 1.22 0.32 0.00 8.08 8.00 -1.26 -4.82 116.55 128.09 2wlf n ASP 119 Ca -0.22 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.31 2wlf n ASP 119 Cb 0.56 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 2wlf n ASP 119 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2wlf n MET 120 N -1.50 0.00 -3.81 -1.24 2.81 -1.26 -4.94 117.12 107.19 2wlf n MET 120 Ca 0.06 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.83 2wlf n MET 120 Cb 0.34 -2.37 -0.09 0.00 -0.71 0.00 0.00 33.22 30.38 2wlf n MET 120 CO 0.00 0.00 0.00 -1.01 1.51 0.00 0.00 175.97 176.47 2wlf s HIS 121 N -1.97 -0.10 0.32 2.03 3.76 -1.26 -5.16 115.29 112.91 2wlf s HIS 121 Ca 0.00 0.14 -0.23 0.00 -0.15 0.00 0.00 55.06 54.82 2wlf s HIS 121 Cb 0.00 0.04 -0.10 0.00 1.11 0.00 0.00 32.58 33.63 2wlf s HIS 121 CO 0.00 -0.33 0.88 -1.25 -0.85 0.00 0.00 174.74 173.19 2wlf s PRO 122 N -1.25 4.41 -0.09 8.40 0.04 -1.26 -5.01 135.00 140.23 2wlf s PRO 122 Ca -0.13 1.14 0.04 0.00 0.04 0.00 0.00 61.00 62.10 2wlf s PRO 122 Cb -0.06 -2.69 -0.00 0.00 0.04 0.00 0.00 34.50 31.79 2wlf s PRO 122 CO 0.03 0.25 -0.24 0.42 0.04 0.00 0.00 177.00 177.49 2wlf s ILE 123 N -1.72 2.05 0.06 0.56 1.01 -1.26 -5.06 121.20 116.85 2wlf s ILE 123 Ca 0.51 -1.02 0.05 0.00 0.00 0.00 0.00 60.65 60.18 2wlf s ILE 123 Cb -0.16 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 2wlf s ILE 123 CO 0.21 0.56 -0.07 -0.31 0.00 0.00 0.00 174.94 175.33 2wlf s TYR 124 N 0.27 2.85 0.27 3.97 2.02 -1.26 -1.07 117.35 124.40 2wlf s TYR 124 Ca -0.17 -0.08 -0.29 0.00 -0.37 0.00 0.00 57.07 56.17 2wlf s TYR 124 Cb -0.17 -1.53 -0.09 0.00 -0.40 0.00 0.00 41.96 39.76 2wlf s TYR 124 CO 0.08 0.41 0.94 0.45 -1.57 0.00 0.00 175.55 175.87 2wlf s SER 125 N -1.90 7.53 0.17 2.29 0.15 -0.19 -4.91 113.70 116.85 2wlf s SER 125 Ca 0.20 1.91 0.26 0.00 0.70 0.00 0.00 55.95 59.02 2wlf s SER 125 Cb -0.11 -2.60 0.90 0.00 -1.71 0.00 0.00 66.02 62.50 2wlf s SER 125 CO 0.12 0.07 1.79 0.18 1.20 0.00 0.00 173.24 176.61 2wlf n LEU 126 N 1.14 0.64 0.16 3.45 4.77 -1.26 -0.32 117.00 125.58 2wlf n LEU 126 Ca -0.01 0.57 0.02 0.00 -0.03 0.00 0.00 56.01 56.57 2wlf n LEU 126 Cb 0.48 -0.38 0.25 0.00 -2.33 0.00 0.00 43.42 41.44 2wlf n LEU 126 CO 0.48 -0.19 0.58 -0.33 -1.33 0.00 0.00 177.39 176.60 2wlf h GLU 127 N 0.00 0.00 0.00 3.23 5.08 -1.97 -3.38 114.58 117.54 2wlf h GLU 127 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wlf h GLU 127 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2wlf h GLU 127 CO 0.00 0.50 0.00 0.27 -1.00 0.00 0.00 179.01 178.78 2wlf n ASN 128 N -3.66 0.00 0.00 1.42 0.23 -1.22 -5.01 115.26 107.02 2wlf n ASN 128 Ca -0.01 -1.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.04 2wlf n ASN 128 Cb 0.57 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.27 2wlf n ASN 128 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wlf n GLY 129 N 0.00 0.55 3.82 4.83 0.00 0.57 -4.99 105.19 109.96 2wlf n GLY 129 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2wlf n GLY 129 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wlf s GLU 130 N -0.47 4.03 0.15 1.61 0.41 -1.25 -4.63 118.70 118.56 2wlf s GLU 130 Ca 0.00 1.15 -0.30 0.00 -0.41 0.00 0.00 54.97 55.40 2wlf s GLU 130 Cb 0.00 -2.14 -0.08 0.00 -1.78 0.00 0.00 34.13 30.13 2wlf s GLU 130 CO 0.00 -0.21 1.24 0.50 -0.49 0.00 0.00 175.26 176.30 2wlf s ARG 131 N -3.41 4.44 0.00 1.61 3.52 -1.26 -1.02 118.95 122.83 2wlf s ARG 131 Ca 0.63 1.91 0.04 0.00 -0.13 0.00 0.00 55.73 58.17 2wlf s ARG 131 Cb -0.11 -3.26 0.01 0.00 -1.56 0.00 0.00 34.95 30.03 2wlf s ARG 131 CO 0.19 -0.20 0.48 0.44 -0.81 0.00 0.00 175.30 175.40 2wlf n ILE 132 N 3.02 0.00 -2.44 4.11 -5.35 -0.24 -4.75 119.36 113.72 2wlf n ILE 132 Ca 0.07 -0.47 -0.27 0.00 -0.27 0.00 0.00 62.75 61.80 2wlf n ILE 132 Cb 0.44 1.06 0.00 0.00 -1.74 0.00 0.00 39.64 39.41 2wlf n ILE 132 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 2wlf n ASN 133 N -0.20 4.81 -4.74 7.28 6.94 -1.25 -5.03 115.26 123.08 2wlf n ASN 133 Ca 0.02 -3.73 -0.35 0.00 -0.02 0.00 0.00 54.58 50.50 2wlf n ASN 133 Cb 0.09 -0.47 0.07 0.00 -2.36 0.00 0.00 39.78 37.10 2wlf n ASN 133 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 2wlf s HIS 134 N -3.56 2.20 0.67 -2.53 3.76 -1.26 -4.77 115.29 109.80 2wlf s HIS 134 Ca 0.48 1.55 -0.17 0.00 -0.15 0.00 0.00 55.06 56.77 2wlf s HIS 134 Cb 0.40 -3.50 0.00 0.00 1.11 0.00 0.00 32.58 30.60 2wlf s HIS 134 CO -0.18 -2.48 1.21 0.20 -0.85 0.00 0.00 174.74 172.64 2wlf s GLY 135 N -1.80 2.55 -0.05 -2.22 0.00 -1.26 -4.99 107.32 99.54 2wlf s GLY 135 Ca 0.76 0.95 -0.03 0.00 0.00 0.00 0.00 44.72 46.41 2wlf s GLY 135 CO 0.40 1.36 0.13 0.54 0.00 0.00 0.00 173.10 175.52 2wlf s LYS 136 N -3.64 0.11 0.59 2.90 3.01 -0.49 -4.98 119.74 117.23 2wlf s LYS 136 Ca 0.76 0.26 -0.19 0.00 -1.01 0.00 0.00 55.97 55.79 2wlf s LYS 136 Cb -0.30 -0.06 -0.04 0.00 -1.01 0.00 0.00 37.83 36.41 2wlf s LYS 136 CO 0.40 -0.09 1.12 -0.25 0.51 0.00 0.00 175.35 177.04 2wlf n ASP 137 N 3.61 1.49 -4.44 2.83 8.00 -1.26 -1.19 116.55 125.59 2wlf n ASP 137 Ca -0.19 0.86 -0.33 0.00 0.71 0.00 0.00 54.79 55.84 2wlf n ASP 137 Cb 0.55 -1.46 -0.13 0.00 -0.02 0.00 0.00 41.12 40.06 2wlf n ASP 137 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wlf s VAL 138 N -1.42 3.29 -0.14 2.53 1.01 -1.05 -2.79 120.40 121.83 2wlf s VAL 138 Ca 0.76 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 62.13 2wlf s VAL 138 Cb -0.42 -2.37 0.04 0.00 0.00 0.00 0.00 36.38 33.63 2wlf s VAL 138 CO 0.47 0.54 -0.03 -0.63 0.00 0.00 0.00 175.10 175.45 2wlf s ILE 139 N -0.05 0.83 -0.28 2.22 1.01 -0.44 -1.57 121.20 122.92 2wlf s ILE 139 Ca -0.02 -0.36 -0.08 0.00 0.00 0.00 0.00 60.65 60.19 2wlf s ILE 139 Cb -0.14 -1.01 -0.02 0.00 0.01 0.00 0.00 42.46 41.30 2wlf s ILE 139 CO 0.04 0.17 0.11 -0.63 0.00 0.00 0.00 174.94 174.62 2wlf s ILE 140 N 1.76 4.47 0.99 2.92 1.01 -0.36 0.33 121.20 132.33 2wlf s ILE 140 Ca 0.02 -0.28 -0.17 0.00 0.00 0.00 0.00 60.65 60.23 2wlf s ILE 140 Cb -0.14 -3.19 0.25 0.00 0.01 0.00 0.00 42.46 39.39 2wlf s ILE 140 CO -0.07 0.21 0.76 0.61 0.00 0.00 0.00 174.94 176.44 2wlf n GLY 141 N 4.95 -3.13 3.77 6.18 0.00 0.07 -0.74 105.19 116.30 2wlf n GLY 141 Ca -0.15 -1.41 -0.36 0.00 0.00 0.00 0.00 46.02 44.10 2wlf n GLY 141 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wlf s ASN 142 N -3.39 5.94 -1.21 1.61 0.01 -1.26 -3.35 114.94 113.28 2wlf s ASN 142 Ca 0.52 2.22 -0.07 0.00 -0.71 0.00 0.00 52.86 54.82 2wlf s ASN 142 Cb -0.06 -2.59 -0.02 0.00 0.41 0.00 0.00 41.25 38.99 2wlf s ASN 142 CO 0.41 -1.07 0.77 1.57 -1.51 0.00 0.00 177.10 177.27 2wlf n HIS 143 N -0.93 -2.01 -4.51 2.20 -0.00 0.21 -1.65 115.22 108.53 2wlf n HIS 143 Ca 0.10 0.72 -0.34 0.00 0.46 0.00 0.00 57.72 58.66 2wlf n HIS 143 Cb 0.50 -4.05 -0.12 0.00 -0.12 0.00 0.00 29.99 26.20 2wlf n HIS 143 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 2wlf s VAL 144 N -3.56 3.80 -0.24 3.57 1.01 -1.26 -1.92 120.40 121.81 2wlf s VAL 144 Ca 0.23 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 2wlf s VAL 144 Cb -0.06 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.71 2wlf s VAL 144 CO 0.81 0.55 -0.04 0.86 0.00 0.00 0.00 175.10 177.28 2wlf s TRP 145 N -0.20 3.00 -0.25 5.22 -0.00 -0.37 -0.74 118.94 125.60 2wlf s TRP 145 Ca 0.03 -1.16 -0.13 0.00 -0.00 0.00 0.00 56.10 54.84 2wlf s TRP 145 Cb -0.13 -2.10 -0.04 0.00 -0.00 0.00 0.00 33.47 31.20 2wlf s TRP 145 CO 0.03 -0.62 0.27 -0.51 -0.00 0.00 0.00 176.95 176.12 2wlf s LEU 146 N 1.43 4.08 0.00 5.86 1.02 0.20 -0.54 118.68 130.73 2wlf s LEU 146 Ca 0.04 0.22 -0.04 0.00 0.02 0.00 0.00 54.13 54.36 2wlf s LEU 146 Cb -0.15 -2.28 0.06 0.00 0.02 0.00 0.00 46.19 43.84 2wlf s LEU 146 CO -0.04 -0.05 0.22 0.61 0.02 0.00 0.00 176.35 177.11 2wlf n GLY 147 N 4.47 -2.36 3.77 -3.19 0.00 -0.43 -1.44 105.19 106.01 2wlf n GLY 147 Ca -0.12 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 2wlf n GLY 147 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wlf s ARG 148 N -3.49 4.14 -1.28 1.61 1.81 -1.26 -3.72 118.95 116.75 2wlf s ARG 148 Ca 0.14 2.53 -0.02 0.00 -1.72 0.00 0.00 55.73 56.66 2wlf s ARG 148 Cb -0.01 -2.99 -0.00 0.00 -0.45 0.00 0.00 34.95 31.49 2wlf s ARG 148 CO 0.11 -0.52 0.71 0.09 -0.68 0.00 0.00 175.30 175.00 2wlf n ASN 149 N 0.93 -1.71 -4.80 0.23 4.13 -0.62 0.14 115.26 113.56 2wlf n ASN 149 Ca 0.03 -0.84 -0.37 0.00 1.68 0.00 0.00 54.58 55.08 2wlf n ASN 149 Cb 0.39 -4.03 -0.06 0.00 -1.54 0.00 0.00 39.78 34.54 2wlf n ASN 149 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2wlf s VAL 150 N -3.65 5.22 -0.15 2.41 1.01 -1.24 -2.62 120.40 121.38 2wlf s VAL 150 Ca 0.06 0.63 -0.01 0.00 0.00 0.00 0.00 61.98 62.65 2wlf s VAL 150 Cb -0.02 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 2wlf s VAL 150 CO 0.81 0.51 -0.10 -0.89 0.00 0.00 0.00 175.10 175.43 2wlf s THR 151 N -0.46 3.25 -0.27 3.92 2.01 -0.77 -0.70 115.64 122.62 2wlf s THR 151 Ca 0.20 -0.58 -0.01 0.00 0.31 0.00 0.00 61.69 61.61 2wlf s THR 151 Cb -0.14 -2.40 0.04 0.00 0.01 0.00 0.00 72.50 70.01 2wlf s THR 151 CO 0.08 0.50 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.83 2wlf s ILE 152 N 0.56 2.72 0.73 1.82 -1.09 0.16 -1.03 121.20 125.07 2wlf s ILE 152 Ca -0.07 -1.29 -0.03 0.00 -2.23 0.00 0.00 60.65 57.04 2wlf s ILE 152 Cb -0.15 -2.49 0.15 0.00 -1.58 0.00 0.00 42.46 38.39 2wlf s ILE 152 CO 0.03 0.05 1.00 0.18 -1.23 0.00 0.00 174.94 174.97 2wlf n LEU 153 N 4.60 0.00 -4.74 2.97 4.77 -0.57 -1.76 117.00 122.27 2wlf n LEU 153 Ca -0.15 -1.89 -0.36 0.00 -0.03 0.00 0.00 56.01 53.58 2wlf n LEU 153 Cb 0.45 -0.67 0.05 0.00 -2.33 0.00 0.00 43.42 40.92 2wlf n LEU 153 CO 0.25 -1.03 0.86 -1.59 -1.33 0.00 0.00 177.39 174.55 2wlf s LYS 154 N -5.09 2.74 0.00 3.23 -2.85 -0.97 -3.26 119.74 113.54 2wlf s LYS 154 Ca 0.64 1.90 0.00 0.00 -1.00 0.00 0.00 55.97 57.51 2wlf s LYS 154 Cb -0.03 -1.89 0.00 0.00 -2.06 0.00 0.00 37.83 33.85 2wlf s LYS 154 CO 0.43 -1.41 0.00 0.41 0.10 0.00 0.00 175.35 174.88 2wlf n GLY 155 N 0.62 1.90 3.70 0.59 0.00 -0.33 -4.86 105.19 106.81 2wlf n GLY 155 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2wlf n GLY 155 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wlf s VAL 156 N -3.34 4.43 -0.17 1.61 1.01 -1.20 -4.67 120.40 118.08 2wlf s VAL 156 Ca 0.00 1.74 -0.00 0.00 0.00 0.00 0.00 61.98 63.72 2wlf s VAL 156 Cb 0.00 -4.12 -0.00 0.00 0.00 0.00 0.00 36.38 32.26 2wlf s VAL 156 CO 0.00 0.08 -0.14 0.00 0.00 0.00 0.00 175.10 175.04 2wlf s ILE 158 N 0.93 3.60 0.91 0.00 1.01 0.15 -2.27 121.20 125.54 2wlf s ILE 158 Ca -0.03 -0.46 -0.11 0.00 0.00 0.00 0.00 60.65 60.06 2wlf s ILE 158 Cb -0.15 -2.57 0.14 0.00 0.01 0.00 0.00 42.46 39.89 2wlf s ILE 158 CO -0.02 0.49 1.10 -2.84 0.00 0.00 0.00 174.94 173.68 2wlf s PRO 159 N 0.51 1.12 0.54 2.79 0.02 -1.26 -0.75 135.00 137.96 2wlf s PRO 159 Ca -0.05 1.17 -0.22 0.00 0.02 0.00 0.00 61.00 61.92 2wlf s PRO 159 Cb -0.15 -1.77 -0.05 0.00 0.02 0.00 0.00 34.50 32.55 2wlf s PRO 159 CO 0.03 -2.44 1.36 0.09 -0.33 0.00 0.00 177.00 175.72 2wlf n ASN 160 N -4.06 2.74 -3.43 2.53 3.02 -1.26 -3.94 115.26 110.86 2wlf n ASN 160 Ca 0.09 0.99 -0.17 0.00 -0.03 0.00 0.00 54.58 55.46 2wlf n ASN 160 Cb 0.53 -1.58 0.08 0.00 -0.61 0.00 0.00 39.78 38.21 2wlf n ASN 160 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2wlf n ASN 161 N -0.90 -2.54 -4.35 6.41 5.15 -0.66 -2.68 115.26 115.69 2wlf n ASN 161 Ca 0.10 -0.65 -0.31 0.00 -0.60 0.00 0.00 54.58 53.12 2wlf n ASN 161 Cb 0.44 -5.05 -0.15 0.00 -0.53 0.00 0.00 39.78 34.49 2wlf n ASN 161 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2wlf s VAL 162 N -3.39 2.32 -0.19 3.44 1.01 -1.21 -1.47 120.40 120.91 2wlf s VAL 162 Ca 0.06 -1.01 -0.05 0.00 0.00 0.00 0.00 61.98 60.97 2wlf s VAL 162 Cb -0.01 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 2wlf s VAL 162 CO 0.74 0.58 0.01 -0.69 0.00 0.00 0.00 175.10 175.74 2wlf s VAL 163 N -0.64 4.16 -0.25 2.92 1.01 -0.33 -1.23 120.40 126.03 2wlf s VAL 163 Ca 0.10 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.72 2wlf s VAL 163 Cb -0.10 -2.87 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 2wlf s VAL 163 CO -0.01 0.44 0.21 -0.69 0.00 0.00 0.00 175.10 175.06 2wlf s VAL 164 N 0.74 5.32 0.68 2.92 1.01 0.29 -0.23 120.40 131.13 2wlf s VAL 164 Ca 0.01 0.26 -0.17 0.00 0.00 0.00 0.00 61.98 62.08 2wlf s VAL 164 Cb -0.14 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.70 2wlf s VAL 164 CO 0.02 0.29 1.25 -0.83 0.00 0.00 0.00 175.10 175.84 2wlf s GLY 165 N 1.31 2.64 0.50 4.51 0.00 0.14 -1.31 107.32 115.10 2wlf s GLY 165 Ca 0.09 1.07 -0.22 0.00 0.00 0.00 0.00 44.72 45.66 2wlf s GLY 165 CO 0.07 1.49 1.21 -1.35 0.00 0.00 0.00 173.10 174.52 2wlf s SER 166 N -1.66 5.82 -1.01 1.64 1.04 -1.26 -2.42 113.70 115.84 2wlf s SER 166 Ca 0.79 2.41 0.00 0.00 0.48 0.00 0.00 55.95 59.63 2wlf s SER 166 Cb -0.34 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.18 2wlf s SER 166 CO 0.42 -1.17 0.00 1.41 0.98 0.00 0.00 173.24 174.88 2wlf n HIS 167 N -0.80 0.00 -2.85 5.02 8.25 0.12 -4.92 115.22 120.04 2wlf n HIS 167 Ca 0.09 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.15 2wlf n HIS 167 Cb 0.48 -2.34 -0.06 0.00 1.12 0.00 0.00 29.99 29.19 2wlf n HIS 167 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2wlf s THR 168 N -2.00 4.25 -0.20 1.59 2.01 -1.02 -4.92 115.64 115.35 2wlf s THR 168 Ca 0.00 1.91 -0.06 0.00 0.31 0.00 0.00 61.69 63.85 2wlf s THR 168 Cb 0.00 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 2wlf s THR 168 CO 0.00 0.49 0.02 -0.69 -0.69 0.00 0.00 174.62 173.75 2wlf s VAL 169 N -1.03 4.19 -0.29 3.82 1.01 -1.26 -1.84 120.40 125.00 2wlf s VAL 169 Ca 0.39 -0.23 -0.07 0.00 0.00 0.00 0.00 61.98 62.07 2wlf s VAL 169 Cb -0.24 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.24 2wlf s VAL 169 CO 0.29 0.43 0.09 -0.76 0.00 0.00 0.00 175.10 175.15 2wlf s LEU 170 N 0.88 3.80 -0.00 3.92 1.43 -0.19 -4.49 118.68 124.03 2wlf s LEU 170 Ca 0.02 -0.59 0.12 0.00 -1.03 0.00 0.00 54.13 52.65 2wlf s LEU 170 Cb -0.14 -1.90 -0.15 0.00 0.03 0.00 0.00 46.19 44.03 2wlf s LEU 170 CO 0.02 -0.16 0.44 0.00 0.23 0.00 0.00 176.35 176.88 2wlf n TYR 171 N 4.89 0.00 -4.10 0.29 4.11 -1.26 -1.51 117.16 119.58 2wlf n TYR 171 Ca -0.15 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.61 2wlf n TYR 171 Cb 0.49 -0.08 -0.13 0.00 -0.00 0.00 0.00 39.34 39.62 2wlf n TYR 171 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 2wlf s LYS 172 N -2.33 0.49 0.83 -3.48 1.02 -1.26 -4.82 119.74 110.19 2wlf s LYS 172 Ca 0.02 -0.54 -0.11 0.00 0.02 0.00 0.00 55.97 55.36 2wlf s LYS 172 Cb 0.09 -0.34 0.10 0.00 -0.52 0.00 0.00 37.83 37.15 2wlf s LYS 172 CO 0.50 0.08 1.13 -1.12 -0.92 0.00 0.00 175.35 175.01 2wlf s SER 173 N -1.02 3.74 0.26 2.83 0.01 -1.26 -4.79 113.70 113.46 2wlf s SER 173 Ca -0.05 2.05 0.08 0.00 1.31 0.00 0.00 55.95 59.34 2wlf s SER 173 Cb -0.07 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.56 2wlf s SER 173 CO 0.00 -2.56 -0.12 -0.36 0.41 0.00 0.00 173.24 170.62 2wlf s PHE 174 N -2.69 1.96 -0.01 2.43 0.40 -0.96 -4.93 117.98 114.17 2wlf s PHE 174 Ca 0.65 -0.57 0.02 0.00 -0.60 0.00 0.00 56.93 56.43 2wlf s PHE 174 Cb -0.21 -1.00 -0.03 0.00 0.51 0.00 0.00 43.02 42.29 2wlf s PHE 174 CO 0.56 0.41 0.05 1.63 0.70 0.00 0.00 175.22 178.57 2wlf n LYS 175 N -0.53 0.78 -2.94 0.44 5.02 -1.26 -4.33 118.16 115.33 2wlf n LYS 175 Ca -0.06 -0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.79 2wlf n LYS 175 Cb 0.62 -1.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.58 2wlf n LYS 175 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2wlf s GLU 176 N -2.04 3.98 0.86 1.97 2.56 -1.26 -4.88 118.70 119.89 2wlf s GLU 176 Ca -0.01 0.62 -0.12 0.00 0.00 0.00 0.00 54.97 55.46 2wlf s GLU 176 Cb 0.01 -3.72 0.11 0.00 2.00 0.00 0.00 34.13 32.53 2wlf s GLU 176 CO 0.09 -0.67 1.13 -1.25 -0.56 0.00 0.00 175.26 174.00 2wlf s PRO 177 N 2.95 1.59 -1.06 4.30 0.04 -1.26 -4.43 135.00 137.13 2wlf s PRO 177 Ca 0.33 0.39 -0.04 0.00 0.04 0.00 0.00 61.00 61.71 2wlf s PRO 177 Cb -0.14 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2wlf s PRO 177 CO 0.12 -1.91 0.91 0.09 0.04 0.00 0.00 177.00 176.26 2wlf n ASN 178 N -3.58 -4.12 -4.22 6.66 3.02 -0.54 -4.70 115.26 107.78 2wlf n ASN 178 Ca 0.07 -0.47 -0.14 0.00 -0.03 0.00 0.00 54.58 54.01 2wlf n ASN 178 Cb 0.58 -4.26 -0.10 0.00 -0.61 0.00 0.00 39.78 35.39 2wlf n ASN 178 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wlf s VAL 180 N -3.08 5.01 -0.08 0.00 1.01 0.90 -1.18 120.40 122.98 2wlf s VAL 180 Ca 0.12 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.19 2wlf s VAL 180 Cb 0.01 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 2wlf s VAL 180 CO -0.00 0.48 -0.22 -0.63 0.00 0.00 0.00 175.10 174.73 2wlf s ILE 181 N 0.12 2.30 0.29 2.22 1.01 0.68 -0.53 121.20 127.30 2wlf s ILE 181 Ca 0.06 -0.96 -0.19 0.00 0.00 0.00 0.00 60.65 59.56 2wlf s ILE 181 Cb -0.12 -1.88 0.06 0.00 0.01 0.00 0.00 42.46 40.54 2wlf s ILE 181 CO 0.00 0.56 0.90 0.00 0.00 0.00 0.00 174.94 176.40 2wlf s ALA 182 N 0.02 -1.15 0.00 9.38 0.00 -0.41 0.25 121.76 129.86 2wlf s ALA 182 Ca -0.08 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.35 2wlf s ALA 182 Cb -0.15 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.68 2wlf s ALA 182 CO 0.05 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.20 2wlf n GLY 183 N -0.60 -2.26 2.90 0.00 0.00 -1.26 -0.85 105.19 103.12 2wlf n GLY 183 Ca -0.06 -1.52 -0.13 0.00 0.00 0.00 0.00 46.02 44.30 2wlf n GLY 183 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wlf s SER 184 N -2.52 0.64 0.72 1.61 0.15 -1.26 -2.56 113.70 110.49 2wlf s SER 184 Ca 0.00 0.19 -0.12 0.00 0.70 0.00 0.00 55.95 56.72 2wlf s SER 184 Cb 0.00 0.78 0.03 0.00 -1.71 0.00 0.00 66.02 65.12 2wlf s SER 184 CO 0.00 -0.29 1.09 -2.16 1.20 0.00 0.00 173.24 173.08 2wlf s PRO 185 N 2.44 2.54 0.06 5.44 0.04 -1.26 -5.08 135.00 139.18 2wlf s PRO 185 Ca 0.07 1.23 -0.31 0.00 0.04 0.00 0.00 61.00 62.03 2wlf s PRO 185 Cb -0.15 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.38 2wlf s PRO 185 CO -0.13 -1.43 1.73 0.00 0.04 0.00 0.00 177.00 177.21 2wlf s ALA 186 N -2.71 3.68 0.05 8.56 0.00 -1.06 -4.95 121.76 125.34 2wlf s ALA 186 Ca 0.63 1.24 -0.01 0.00 0.00 0.00 0.00 51.96 53.82 2wlf s ALA 186 Cb -0.18 -3.73 -0.04 0.00 0.00 0.00 0.00 23.12 19.17 2wlf s ALA 186 CO 0.50 -1.22 -0.03 -1.59 0.00 0.00 0.00 175.76 173.42 2wlf s LYS 187 N 3.06 0.61 0.07 0.00 -2.85 -0.03 -4.92 119.74 115.69 2wlf s LYS 187 Ca 0.77 -1.18 -0.31 0.00 -1.00 0.00 0.00 55.97 54.25 2wlf s LYS 187 Cb -0.41 0.16 -0.08 0.00 -2.06 0.00 0.00 37.83 35.44 2wlf s LYS 187 CO 0.34 -0.09 1.52 0.42 0.10 0.00 0.00 175.35 177.64 2wlf s ILE 188 N -3.69 3.23 0.00 3.79 1.01 -1.26 -1.29 121.20 122.99 2wlf s ILE 188 Ca 0.06 0.74 0.00 0.00 0.00 0.00 0.00 60.65 61.45 2wlf s ILE 188 Cb 0.06 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 39.06 2wlf s ILE 188 CO -0.09 0.02 0.00 0.55 0.00 0.00 0.00 174.94 175.42 2wlf n VAL 189 N 4.47 0.00 -3.66 2.92 3.14 0.31 -4.93 118.33 120.58 2wlf n VAL 189 Ca 0.14 -0.21 -0.06 0.00 -2.96 0.00 0.00 64.34 61.25 2wlf n VAL 189 Cb 0.41 0.71 -0.07 0.00 -1.06 0.00 0.00 33.84 33.83 2wlf n VAL 189 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 2wlf s LYS 190 N -1.25 0.57 0.34 1.45 2.36 -1.08 -4.97 119.74 117.16 2wlf s LYS 190 Ca 0.00 1.17 0.07 0.00 -2.55 0.00 0.00 55.97 54.66 2wlf s LYS 190 Cb 0.00 0.30 -0.02 0.00 -1.05 0.00 0.00 37.83 37.06 2wlf s LYS 190 CO 0.00 -0.18 0.37 -1.21 1.55 0.00 0.00 175.35 175.88 2wlf s GLU 191 N 2.00 2.88 -1.01 4.03 2.02 -1.26 -0.07 118.70 127.29 2wlf s GLU 191 Ca -0.08 -1.19 -0.01 0.00 0.02 0.00 0.00 54.97 53.72 2wlf s GLU 191 Cb -0.08 -2.61 -0.01 0.00 0.10 0.00 0.00 34.13 31.53 2wlf s GLU 191 CO -0.17 0.07 0.84 0.09 0.02 0.00 0.00 175.26 176.11 2wlf n ASN 192 N -1.49 -2.44 -4.43 -0.19 5.03 0.17 -4.92 115.26 106.98 2wlf n ASN 192 Ca -0.01 -0.54 -0.21 0.00 0.87 0.00 0.00 54.58 54.69 2wlf n ASN 192 Cb 0.59 -4.45 -0.11 0.00 -1.02 0.00 0.00 39.78 34.80 2wlf n ASN 192 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 2wlf s ILE 193 N -3.31 1.29 -0.07 2.41 -5.25 -0.26 -5.03 121.20 110.98 2wlf s ILE 193 Ca 0.04 -2.03 -0.05 0.00 -0.99 0.00 0.00 60.65 57.62 2wlf s ILE 193 Cb -0.01 -2.67 0.02 0.00 2.95 0.00 0.00 42.46 42.76 2wlf s ILE 193 CO 0.62 -0.11 0.18 0.54 -1.79 0.00 0.00 174.94 174.38 2wlf s VAL 194 N -3.24 -0.01 0.27 8.37 0.11 -1.26 -4.43 120.40 120.22 2wlf s VAL 194 Ca 0.34 0.04 0.06 0.00 -2.93 0.00 0.00 61.98 59.49 2wlf s VAL 194 Cb 0.07 -0.26 -0.02 0.00 -1.53 0.00 0.00 36.38 34.64 2wlf s VAL 194 CO 0.14 0.02 0.37 -1.66 -3.33 0.00 0.00 175.10 170.63 2wlf s TRP 195 N 0.37 3.28 0.32 1.54 1.48 -1.26 -5.08 118.94 119.59 2wlf s TRP 195 Ca -0.02 -0.11 0.05 0.00 -1.06 0.00 0.00 56.10 54.96 2wlf s TRP 195 Cb -0.04 -1.69 -0.03 0.00 -1.16 0.00 0.00 33.47 30.56 2wlf s TRP 195 CO -0.02 0.30 0.21 0.20 -4.06 0.00 0.00 176.95 173.59 2wlf s GLY 196 N -4.02 2.21 -0.14 3.67 0.00 -1.26 -5.02 107.32 102.77 2wlf s GLY 196 Ca 0.37 -1.83 0.03 0.00 0.00 0.00 0.00 44.72 43.29 2wlf s GLY 196 CO 0.29 -1.54 0.28 0.54 0.00 0.00 0.00 173.10 172.66 2wlf n ARG 197 N -0.62 0.70 -3.92 2.90 1.74 -1.26 -4.89 116.66 111.31 2wlf n ARG 197 Ca 0.03 0.21 -0.35 0.00 -0.77 0.00 0.00 57.85 56.97 2wlf n ARG 197 Cb 0.64 -1.67 -0.13 0.00 -1.02 0.00 0.00 32.46 30.28 2wlf n ARG 197 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2wlf s LYS 198 N -2.55 3.59 -0.07 5.56 -0.14 -1.26 -4.98 119.74 119.89 2wlf s LYS 198 Ca -0.19 -0.52 0.09 0.00 -1.36 0.00 0.00 55.97 53.98 2wlf s LYS 198 Cb 0.07 -3.16 0.37 0.00 -1.68 0.00 0.00 37.83 33.43 2wlf s LYS 198 CO 0.75 -0.10 1.18 0.00 -0.76 0.00 0.00 175.35 176.42 2wlf n MET 199 N 4.59 2.49 -0.34 1.68 0.00 -1.26 -4.19 117.12 120.09 2wlf n MET 199 Ca -0.17 -1.46 -0.00 0.00 0.00 0.00 0.00 57.70 56.07 2wlf n MET 199 Cb 0.51 -1.64 0.12 0.00 0.00 0.00 0.00 33.22 32.21 2wlf n MET 199 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 175.97 178.45 2wlf n TYR 200 N 0.41 0.80 -3.88 3.17 0.18 -1.26 -4.86 117.16 111.72 2wlf n TYR 200 Ca 0.13 -0.42 -0.36 0.00 1.88 0.00 0.00 57.90 59.14 2wlf n TYR 200 Cb 0.55 -0.30 -0.14 0.00 -0.38 0.00 0.00 39.34 39.08 2wlf n TYR 200 CO 0.00 0.00 0.00 -1.01 -2.08 0.00 0.00 176.86 173.77 2wlf s HIS 201 N -1.50 3.12 0.08 -3.48 3.76 -1.26 -4.97 115.29 111.05 2wlf s HIS 201 Ca 0.19 -1.38 -0.16 0.00 -0.15 0.00 0.00 55.06 53.56 2wlf s HIS 201 Cb 0.15 -2.14 -0.04 0.00 1.11 0.00 0.00 32.58 31.66 2wlf s HIS 201 CO 0.05 -0.68 0.90 0.43 -0.85 0.00 0.00 174.74 174.59 2wlf n SER 202 N 4.74 -0.56 -4.06 1.40 7.64 -1.26 -4.71 113.62 116.81 2wlf n SER 202 Ca -0.15 1.02 -0.17 0.00 1.01 0.00 0.00 58.87 60.58 2wlf n SER 202 Cb 0.47 -0.17 -0.09 0.00 -1.01 0.00 0.00 64.21 63.41 2wlf n SER 202 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2wlf s THR 203 N -4.98 0.30 0.38 0.44 -4.23 -1.26 -5.03 115.64 101.27 2wlf s THR 203 Ca -0.06 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.69 2wlf s THR 203 Cb 0.06 -2.54 0.26 0.00 1.34 0.00 0.00 72.50 71.62 2wlf s THR 203 CO 0.33 0.00 2.02 0.00 -0.54 0.00 0.00 174.62 176.42 2wlf h MET 204 N 2.31 0.00 0.00 3.99 -0.00 -1.95 -2.47 114.93 116.81 2wlf h MET 204 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.36 2wlf h MET 204 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.85 2wlf h MET 204 CO 0.53 0.16 0.00 0.66 -0.00 0.00 0.00 176.91 178.26 2wlf n TYR 205 N -3.70 0.00 1.05 -0.10 4.02 -1.26 -1.41 117.16 115.76 2wlf n TYR 205 Ca -0.02 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.99 2wlf n TYR 205 Cb 0.27 -0.49 0.06 0.00 -0.02 0.00 0.00 39.34 39.17 2wlf n TYR 205 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2wlf n ASP 206 N -1.49 1.67 -4.32 7.72 8.00 -0.93 -4.79 116.55 122.41 2wlf n ASP 206 Ca 0.03 -1.30 -0.40 0.00 0.71 0.00 0.00 54.79 53.84 2wlf n ASP 206 Cb 0.14 0.47 -0.11 0.00 -0.02 0.00 0.00 41.12 41.61 2wlf n ASP 206 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2wlf s ASP 207 N -2.57 5.59 0.47 -2.24 -1.08 -0.50 -4.97 116.67 111.38 2wlf s ASP 207 Ca 0.18 -1.16 0.24 0.00 -0.52 0.00 0.00 52.55 51.29 2wlf s ASP 207 Cb 0.18 -1.97 1.18 0.00 -1.46 0.00 0.00 42.92 40.85 2wlf s ASP 207 CO 0.60 -0.40 1.96 1.55 0.52 0.00 0.00 175.17 179.40 2wlf h PRO 208 N 8.37 0.00 0.00 4.34 0.13 -1.87 -1.71 132.00 141.26 2wlf h PRO 208 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2wlf h PRO 208 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2wlf h PRO 208 CO 0.67 0.19 0.00 0.25 -0.23 0.00 0.00 178.00 178.88 2wlf n THR 209 N -3.63 0.83 0.35 1.56 -2.24 -1.26 -3.24 114.28 106.65 2wlf n THR 209 Ca -0.01 0.21 0.11 0.00 -2.27 0.00 0.00 64.05 62.09 2wlf n THR 209 Cb 0.32 -1.13 -0.05 0.00 -2.10 0.00 0.00 70.33 67.37 2wlf n THR 209 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2wlf n LEU 210 N -2.19 0.50 -0.26 3.22 4.32 -0.64 -4.38 117.00 117.57 2wlf n LEU 210 Ca 0.02 0.00 0.07 0.00 -0.02 0.00 0.00 56.01 56.09 2wlf n LEU 210 Cb 0.23 -0.05 0.20 0.00 -1.62 0.00 0.00 43.42 42.18 2wlf n LEU 210 CO 0.20 0.01 0.91 0.78 -1.22 0.00 0.00 177.39 178.07 2wlf h ASN 211 N 0.00 -0.07 0.00 -1.43 -0.26 -1.63 0.67 115.58 112.86 2wlf h ASN 211 Ca 0.00 0.17 0.00 0.00 -0.56 0.00 0.00 56.30 55.91 2wlf h ASN 211 Cb 0.84 0.24 0.00 0.00 -1.06 0.00 0.00 38.32 38.34 2wlf h ASN 211 CO 0.00 -0.09 0.16 -1.84 -1.06 0.00 0.00 177.43 174.60 2wlf n GLU 212 N -5.21 0.08 -0.07 0.81 0.28 -1.26 -1.16 120.64 114.11 2wlf n GLU 212 Ca 0.15 0.54 0.12 0.00 -0.16 0.00 0.00 57.16 57.81 2wlf n GLU 212 Cb 0.51 -1.92 0.17 0.00 1.43 0.00 0.00 31.44 31.63 2wlf n GLU 212 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2wlf n PHE 213 N -1.93 0.17 -1.08 -1.84 3.01 0.23 -5.25 117.46 110.78 2wlf n PHE 213 Ca -0.01 -0.09 0.00 0.00 1.01 0.00 0.00 57.45 58.37 2wlf n PHE 213 Cb 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 2wlf n PHE 213 CO 0.00 0.00 0.00 2.48 1.01 0.00 0.00 176.76 180.25