#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wn3 n THR 3 N 0.00 2.16 -1.70 6.66 -2.24 -1.26 -5.01 114.28 112.89 2wn3 n THR 3 Ca 0.00 -1.56 -0.43 0.00 -2.27 0.00 0.00 64.05 59.79 2wn3 n THR 3 Cb 0.00 -0.10 -0.01 0.00 -2.10 0.00 0.00 70.33 68.11 2wn3 n THR 3 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2wn3 n GLN 4 N 0.12 2.17 -0.50 -0.78 -0.06 -1.26 -1.83 117.38 115.25 2wn3 n GLN 4 Ca 0.22 0.76 0.00 0.00 -2.00 0.00 0.00 57.00 55.99 2wn3 n GLN 4 Cb 0.90 -2.39 0.00 0.00 -4.06 0.00 0.00 30.24 24.69 2wn3 n GLN 4 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2wn3 n GLY 5 N 1.26 1.80 3.94 1.69 0.00 -1.26 -5.02 105.19 107.60 2wn3 n GLY 5 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 2wn3 n GLY 5 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wn3 s LEU 6 N 0.00 4.15 -0.10 0.99 1.43 -0.76 -4.55 118.68 119.84 2wn3 s LEU 6 Ca 0.00 0.39 -0.25 0.00 -1.03 0.00 0.00 54.13 53.24 2wn3 s LEU 6 Cb 0.00 -3.20 -0.03 0.00 0.03 0.00 0.00 46.19 42.99 2wn3 s LEU 6 CO 0.00 -0.15 0.81 -0.69 0.23 0.00 0.00 176.35 176.55 2wn3 s VAL 7 N -2.07 4.94 -0.64 -1.59 1.01 0.60 -4.87 120.40 117.78 2wn3 s VAL 7 Ca 0.39 1.65 -0.26 0.00 0.00 0.00 0.00 61.98 63.75 2wn3 s VAL 7 Cb -0.10 -4.14 0.04 0.00 0.00 0.00 0.00 36.38 32.18 2wn3 s VAL 7 CO 0.32 0.13 1.14 -1.10 0.00 0.00 0.00 175.10 175.59 2wn3 s GLN 8 N 1.43 3.30 0.04 2.72 -0.21 -1.26 -1.43 119.66 124.25 2wn3 s GLN 8 Ca 0.41 -0.19 -0.25 0.00 0.02 0.00 0.00 55.36 55.35 2wn3 s GLN 8 Cb -0.18 -4.11 -0.17 0.00 1.00 0.00 0.00 33.01 29.54 2wn3 s GLN 8 CO 0.17 -1.83 1.52 1.25 -2.12 0.00 0.00 175.29 174.29 2wn3 h LEU 9 N 12.04 -0.04 -0.42 2.90 5.85 -1.54 -1.96 115.31 132.15 2wn3 h LEU 9 Ca -0.27 -0.20 -0.16 0.00 0.84 0.00 0.00 57.88 58.09 2wn3 h LEU 9 Cb 1.06 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 2wn3 h LEU 9 CO 1.20 0.18 -0.38 -0.07 -0.34 0.00 0.00 178.44 179.02 2wn3 h LEU 10 N -0.26 0.98 -1.39 2.25 4.07 -1.91 -1.19 115.31 117.85 2wn3 h LEU 10 Ca -0.00 -0.45 -0.02 0.00 0.08 0.00 0.00 57.88 57.49 2wn3 h LEU 10 Cb 0.24 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.68 2wn3 h LEU 10 CO 0.01 1.24 0.20 0.00 -1.08 0.00 0.00 178.44 178.81 2wn3 h ALA 11 N 0.80 1.53 -0.24 1.53 0.00 -1.91 -1.51 119.26 119.46 2wn3 h ALA 11 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wn3 h ALA 11 Cb 0.97 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2wn3 h ALA 11 CO 0.09 0.38 0.00 0.09 0.00 0.00 0.00 179.25 179.81 2wn3 n ASN 12 N -4.39 1.72 -3.75 0.00 3.02 -0.75 -4.93 115.26 106.19 2wn3 n ASN 12 Ca 0.03 -1.82 -0.27 0.00 -0.03 0.00 0.00 54.58 52.49 2wn3 n ASN 12 Cb 0.13 -0.16 0.05 0.00 -0.61 0.00 0.00 39.78 39.20 2wn3 n ASN 12 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wn3 n ALA 13 N 0.39 -1.33 1.30 5.41 0.00 -0.57 -4.89 120.51 120.82 2wn3 n ALA 13 Ca 0.14 0.29 0.13 0.00 0.00 0.00 0.00 53.44 54.00 2wn3 n ALA 13 Cb 0.31 -4.90 0.36 0.00 0.00 0.00 0.00 19.45 15.22 2wn3 n ALA 13 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wn3 n GLN 14 N -4.83 1.92 -4.12 0.00 1.13 -0.49 -4.93 117.38 106.06 2wn3 n GLN 14 Ca 0.01 -1.33 -0.10 0.00 -1.94 0.00 0.00 57.00 53.64 2wn3 n GLN 14 Cb 0.55 -1.47 -0.10 0.00 0.11 0.00 0.00 30.24 29.32 2wn3 n GLN 14 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wn3 s HIS 16 N -3.16 3.74 -0.17 0.00 2.46 -0.49 -4.86 115.29 112.80 2wn3 s HIS 16 Ca 0.05 1.46 -0.00 0.00 0.47 0.00 0.00 55.06 57.04 2wn3 s HIS 16 Cb 0.02 -2.66 0.00 0.00 -0.13 0.00 0.00 32.58 29.81 2wn3 s HIS 16 CO -0.05 0.40 -0.15 -0.51 -2.47 0.00 0.00 174.74 171.96 2wn3 s LEU 17 N -1.67 2.42 -0.08 8.88 1.43 -1.26 -1.03 118.68 127.37 2wn3 s LEU 17 Ca 0.40 -0.51 0.04 0.00 -1.03 0.00 0.00 54.13 53.02 2wn3 s LEU 17 Cb -0.19 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 2wn3 s LEU 17 CO 0.22 0.05 -0.20 -0.60 0.23 0.00 0.00 176.35 176.05 2wn3 s ARG 18 N 1.04 2.86 0.26 1.70 3.52 -0.72 -4.98 118.95 122.64 2wn3 s ARG 18 Ca -0.01 -0.81 0.10 0.00 -0.13 0.00 0.00 55.73 54.88 2wn3 s ARG 18 Cb -0.15 -2.35 -0.04 0.00 -1.56 0.00 0.00 34.95 30.85 2wn3 s ARG 18 CO -0.04 0.34 -0.07 0.95 -0.81 0.00 0.00 175.30 175.67 2wn3 s THR 19 N -0.02 3.16 0.01 4.11 -4.23 -1.26 -0.10 115.64 117.30 2wn3 s THR 19 Ca -0.06 -2.02 -0.25 0.00 -1.18 0.00 0.00 61.69 58.18 2wn3 s THR 19 Cb -0.15 -2.67 -0.17 0.00 1.34 0.00 0.00 72.50 70.85 2wn3 s THR 19 CO 0.05 -0.36 1.27 0.77 -0.54 0.00 0.00 174.62 175.81 2wn3 h SER 20 N 2.09 -0.23 -5.10 3.99 4.64 -1.61 -3.46 113.55 113.86 2wn3 h SER 20 Ca -0.43 -0.24 -0.10 0.00 -0.47 0.00 0.00 61.79 60.54 2wn3 h SER 20 Cb 1.25 0.06 -0.16 0.00 -0.31 0.00 0.00 62.40 63.24 2wn3 h SER 20 CO 0.60 0.14 -0.40 0.42 -0.87 0.00 0.00 176.83 176.71 2wn3 s THR 21 N -4.65 0.12 -0.09 2.95 -4.23 -1.26 -5.03 115.64 103.45 2wn3 s THR 21 Ca -0.14 -1.02 0.03 0.00 -1.18 0.00 0.00 61.69 59.38 2wn3 s THR 21 Cb 0.02 -1.06 0.01 0.00 1.34 0.00 0.00 72.50 72.81 2wn3 s THR 21 CO 0.58 -0.56 -0.19 0.20 -0.54 0.00 0.00 174.62 174.11 2wn3 s ASN 22 N -2.35 2.51 0.22 3.99 0.01 -1.26 -4.02 114.94 114.04 2wn3 s ASN 22 Ca -0.02 -0.44 -0.08 0.00 -0.71 0.00 0.00 52.86 51.61 2wn3 s ASN 22 Cb 0.01 -1.15 0.35 0.00 0.41 0.00 0.00 41.25 40.87 2wn3 s ASN 22 CO -0.06 0.10 1.71 0.22 -1.51 0.00 0.00 177.10 177.56 2wn3 h TYR 23 N 6.84 0.27 -1.64 2.20 3.20 -0.99 -3.38 116.97 123.47 2wn3 h TYR 23 Ca -0.24 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.66 2wn3 h TYR 23 Cb 1.22 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.46 2wn3 h TYR 23 CO 0.48 -0.02 0.00 0.27 -1.64 0.00 0.00 178.16 177.25 2wn3 n ASN 24 N -5.11 0.00 0.00 -2.11 0.23 -1.26 -4.83 115.26 102.18 2wn3 n ASN 24 Ca 0.11 -0.83 0.11 0.00 -0.53 0.00 0.00 54.58 53.44 2wn3 n ASN 24 Cb 0.36 0.00 0.61 0.00 -2.08 0.00 0.00 39.78 38.67 2wn3 n ASN 24 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wn3 n GLY 25 N 0.00 -0.86 0.27 4.83 0.00 -1.26 -2.12 105.19 106.05 2wn3 n GLY 25 Ca 0.00 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 45.98 2wn3 n GLY 25 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wn3 n VAL 26 N -1.15 2.01 -1.73 1.61 0.24 -1.26 -4.52 118.33 113.53 2wn3 n VAL 26 Ca 0.14 -2.47 0.06 0.00 -2.04 0.00 0.00 64.34 60.02 2wn3 n VAL 26 Cb 0.13 -0.24 0.13 0.00 -1.47 0.00 0.00 33.84 32.38 2wn3 n VAL 26 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2wn3 n HIS 27 N -1.30 0.00 -2.24 6.34 8.25 -0.90 -2.01 115.22 123.36 2wn3 n HIS 27 Ca 0.18 -0.99 -0.21 0.00 -0.26 0.00 0.00 57.72 56.44 2wn3 n HIS 27 Cb 0.68 -0.18 0.12 0.00 1.12 0.00 0.00 29.99 31.73 2wn3 n HIS 27 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2wn3 n THR 28 N -0.70 0.00 0.14 1.59 -2.24 -1.25 -1.34 114.28 110.48 2wn3 n THR 28 Ca 0.13 -1.09 0.07 0.00 -2.27 0.00 0.00 64.05 60.89 2wn3 n THR 28 Cb 0.78 -1.22 0.38 0.00 -2.10 0.00 0.00 70.33 68.17 2wn3 n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wn3 n GLN 29 N -2.80 0.09 0.32 -0.78 0.00 -1.26 -1.04 117.38 111.92 2wn3 n GLN 29 Ca 0.13 0.56 0.22 0.00 0.00 0.00 0.00 57.00 57.91 2wn3 n GLN 29 Cb 0.48 -1.79 1.13 0.00 0.00 0.00 0.00 30.24 30.05 2wn3 n GLN 29 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.06 177.80 2wn3 h PHE 30 N 0.00 0.00 -0.36 2.61 0.04 -1.95 -2.83 116.94 114.45 2wn3 h PHE 30 Ca 0.00 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 2wn3 h PHE 30 Cb 0.04 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.15 2wn3 h PHE 30 CO 0.00 0.00 0.03 0.09 -0.60 0.00 0.00 178.31 177.83 2wn3 n ASN 31 N -3.05 3.91 0.01 2.17 4.13 -0.20 -4.70 115.26 117.52 2wn3 n ASN 31 Ca -0.02 -3.16 0.11 0.00 1.68 0.00 0.00 54.58 53.18 2wn3 n ASN 31 Cb 0.10 -0.60 -0.06 0.00 -1.54 0.00 0.00 39.78 37.68 2wn3 n ASN 31 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2wn3 n SER 32 N -0.49 0.62 -4.78 6.41 3.41 -1.07 -2.67 113.62 115.05 2wn3 n SER 32 Ca 0.26 -0.46 -0.41 0.00 -0.26 0.00 0.00 58.87 58.01 2wn3 n SER 32 Cb 1.00 1.12 -0.01 0.00 -0.26 0.00 0.00 64.21 66.06 2wn3 n SER 32 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wn3 s ALA 33 N -3.19 3.57 0.14 7.33 0.00 -1.26 -0.86 121.76 127.48 2wn3 s ALA 33 Ca 0.03 1.51 -0.34 0.00 0.00 0.00 0.00 51.96 53.16 2wn3 s ALA 33 Cb 0.15 -3.59 -0.17 0.00 0.00 0.00 0.00 23.12 19.52 2wn3 s ALA 33 CO 0.85 -0.97 1.09 -0.11 0.00 0.00 0.00 175.76 176.62 2wn3 n LEU 34 N 0.63 0.96 -0.37 0.00 7.94 -0.67 -0.96 117.00 124.54 2wn3 n LEU 34 Ca 0.01 1.14 -0.05 0.00 -1.11 0.00 0.00 56.01 56.01 2wn3 n LEU 34 Cb 0.40 -1.13 -0.02 0.00 0.53 0.00 0.00 43.42 43.19 2wn3 n LEU 34 CO 0.63 -1.57 -0.05 0.59 -1.11 0.00 0.00 177.39 175.88 2wn3 n ASN 35 N 1.97 -4.95 -4.67 1.96 3.02 -1.26 -4.95 115.26 106.37 2wn3 n ASN 35 Ca 0.16 0.12 -0.47 0.00 -0.03 0.00 0.00 54.58 54.37 2wn3 n ASN 35 Cb 0.21 -2.88 -0.04 0.00 -0.61 0.00 0.00 39.78 36.46 2wn3 n ASN 35 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wn3 n TYR 36 N -2.40 2.25 -4.19 3.10 4.19 -0.13 -4.99 117.16 114.99 2wn3 n TYR 36 Ca -0.05 0.25 -0.16 0.00 3.31 0.00 0.00 57.90 61.24 2wn3 n TYR 36 Cb 0.39 -2.55 -0.13 0.00 0.49 0.00 0.00 39.34 37.54 2wn3 n TYR 36 CO 0.00 0.00 0.00 0.15 0.91 0.00 0.00 176.86 177.92 2wn3 s LYS 37 N 1.35 0.67 0.00 2.98 1.02 -1.26 -4.80 119.74 119.70 2wn3 s LYS 37 Ca 0.81 -0.67 0.00 0.00 0.02 0.00 0.00 55.97 56.13 2wn3 s LYS 37 Cb -0.69 -0.59 0.00 0.00 -0.52 0.00 0.00 37.83 36.03 2wn3 s LYS 37 CO 0.40 0.14 0.00 0.27 -0.92 0.00 0.00 175.35 175.24 2wn3 n ASN 38 N 1.88 0.94 -4.58 2.83 0.23 -1.26 -5.07 115.26 110.23 2wn3 n ASN 38 Ca -0.19 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.44 2wn3 n ASN 38 Cb 0.55 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.23 2wn3 n ASN 38 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 2wn3 s ASN 39 N 1.00 6.41 0.02 0.53 3.84 -1.26 -4.87 114.94 120.61 2wn3 s ASN 39 Ca 0.00 0.25 0.24 0.00 0.21 0.00 0.00 52.86 53.56 2wn3 s ASN 39 Cb 0.00 -2.55 1.03 0.00 -0.55 0.00 0.00 41.25 39.18 2wn3 s ASN 39 CO 0.00 -1.48 1.78 0.61 -2.79 0.00 0.00 177.10 175.21 2wn3 n GLY 40 N 5.07 -1.36 0.17 1.21 0.00 -1.26 -3.05 105.19 105.97 2wn3 n GLY 40 Ca 0.10 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.16 2wn3 n GLY 40 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wn3 n THR 41 N -1.55 0.00 -4.33 2.61 -2.24 -1.26 -4.88 114.28 102.63 2wn3 n THR 41 Ca 0.06 -0.09 -0.27 0.00 -2.27 0.00 0.00 64.05 61.48 2wn3 n THR 41 Cb 0.29 0.86 -0.17 0.00 -2.10 0.00 0.00 70.33 69.21 2wn3 n THR 41 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2wn3 s ASN 42 N -2.79 2.16 0.33 3.42 3.84 -1.17 -5.02 114.94 115.72 2wn3 s ASN 42 Ca 0.14 -0.36 0.26 0.00 0.21 0.00 0.00 52.86 53.11 2wn3 s ASN 42 Cb 0.17 -0.94 0.78 0.00 -0.55 0.00 0.00 41.25 40.71 2wn3 s ASN 42 CO 0.71 -0.02 1.75 0.71 -2.79 0.00 0.00 177.10 177.46 2wn3 h THR 43 N 6.02 0.00 0.00 -5.21 1.35 -1.90 -3.35 112.91 109.82 2wn3 h THR 43 Ca -0.31 -0.59 -0.00 0.00 -0.55 0.00 0.00 66.41 64.96 2wn3 h THR 43 Cb 1.17 1.55 -0.00 0.00 -1.73 0.00 0.00 68.15 69.13 2wn3 h THR 43 CO 0.47 0.00 -0.00 0.16 -0.25 0.00 0.00 175.52 175.89 2wn3 h ILE 44 N 0.00 0.00 -0.06 6.82 3.07 -1.95 -2.60 117.51 122.79 2wn3 h ILE 44 Ca 0.00 -0.65 0.00 0.00 1.55 0.00 0.00 64.86 65.76 2wn3 h ILE 44 Cb 0.72 1.65 0.00 0.00 -0.27 0.00 0.00 36.82 38.92 2wn3 h ILE 44 CO 0.00 0.00 0.00 -0.90 -1.05 0.00 0.00 178.15 176.20 2wn3 n ASP 45 N -3.09 1.45 0.00 2.16 5.75 -1.26 -4.92 116.55 116.64 2wn3 n ASP 45 Ca 0.02 -1.54 0.00 0.00 -0.01 0.00 0.00 54.79 53.26 2wn3 n ASP 45 Cb 0.37 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 2wn3 n ASP 45 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wn3 n GLY 46 N 1.14 -0.03 3.89 6.12 0.00 -0.98 -4.86 105.19 110.47 2wn3 n GLY 46 Ca 0.18 -1.20 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 2wn3 n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wn3 s SER 47 N -4.00 6.55 -1.41 1.61 1.04 -0.85 -4.98 113.70 111.67 2wn3 s SER 47 Ca 0.00 0.72 -0.09 0.00 0.48 0.00 0.00 55.95 57.07 2wn3 s SER 47 Cb 0.00 -2.15 0.07 0.00 0.10 0.00 0.00 66.02 64.04 2wn3 s SER 47 CO 0.00 0.02 2.37 -0.62 0.98 0.00 0.00 173.24 175.99 2wn3 n GLU 48 N 0.06 3.88 0.00 4.02 1.02 -1.26 -4.81 120.64 123.56 2wn3 n GLU 48 Ca -0.02 -3.05 0.00 0.00 -0.02 0.00 0.00 57.16 54.07 2wn3 n GLU 48 Cb 0.52 -2.84 0.00 0.00 -0.02 0.00 0.00 31.44 29.10 2wn3 n GLU 48 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wn3 n ALA 49 N 3.34 0.00 -2.48 0.62 0.00 -1.09 -1.50 120.51 119.40 2wn3 n ALA 49 Ca 0.59 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.61 2wn3 n ALA 49 Cb 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.71 2wn3 n ALA 49 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 2wn3 s TRP 50 N -2.00 3.53 -0.04 0.00 -0.00 -0.12 -4.51 118.94 115.79 2wn3 s TRP 50 Ca 0.00 1.46 0.04 0.00 -0.00 0.00 0.00 56.10 57.59 2wn3 s TRP 50 Cb 0.00 -3.31 0.00 0.00 -0.00 0.00 0.00 33.47 30.16 2wn3 s TRP 50 CO 0.00 -0.80 -0.14 0.00 -0.00 0.00 0.00 176.95 176.01 2wn3 s SER 52 N 0.17 4.17 -0.15 0.00 1.04 -0.73 -0.73 113.70 117.46 2wn3 s SER 52 Ca -0.05 1.29 0.13 0.00 0.48 0.00 0.00 55.95 57.79 2wn3 s SER 52 Cb -0.11 -1.99 -0.24 0.00 0.10 0.00 0.00 66.02 63.78 2wn3 s SER 52 CO 0.02 -2.17 0.24 -1.54 0.98 0.00 0.00 173.24 170.77 2wn3 n SER 53 N -3.56 0.66 -4.77 7.02 3.41 -1.26 -3.60 113.62 111.52 2wn3 n SER 53 Ca 0.07 0.13 -0.36 0.00 -0.26 0.00 0.00 58.87 58.45 2wn3 n SER 53 Cb 0.56 0.36 -0.08 0.00 -0.26 0.00 0.00 64.21 64.80 2wn3 n SER 53 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2wn3 s ILE 54 N -2.53 5.34 -0.55 -1.33 1.01 -1.26 -4.95 121.20 116.93 2wn3 s ILE 54 Ca -0.12 0.16 -0.07 0.00 0.00 0.00 0.00 60.65 60.62 2wn3 s ILE 54 Cb 0.07 -3.39 0.14 0.00 0.01 0.00 0.00 42.46 39.30 2wn3 s ILE 54 CO 0.80 0.51 0.41 -0.69 0.00 0.00 0.00 174.94 175.97 2wn3 s VAL 55 N -0.19 4.11 0.22 2.92 1.01 -1.26 -4.89 120.40 122.32 2wn3 s VAL 55 Ca 0.10 -2.25 -0.07 0.00 0.00 0.00 0.00 61.98 59.76 2wn3 s VAL 55 Cb -0.12 -3.69 0.03 0.00 0.00 0.00 0.00 36.38 32.61 2wn3 s VAL 55 CO 0.01 -0.83 0.42 -0.90 0.00 0.00 0.00 175.10 173.80 2wn3 n ASP 56 N 4.33 -1.22 -1.21 3.32 5.68 -1.26 -5.04 116.55 121.15 2wn3 n ASP 56 Ca 0.00 -1.91 0.04 0.00 -0.50 0.00 0.00 54.79 52.42 2wn3 n ASP 56 Cb 0.41 2.05 0.22 0.00 -1.14 0.00 0.00 41.12 42.66 2wn3 n ASP 56 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2wn3 n THR 57 N -0.30 1.41 -0.16 2.12 -2.24 -1.26 -4.05 114.28 109.80 2wn3 n THR 57 Ca -0.04 -0.75 0.05 0.00 -2.27 0.00 0.00 64.05 61.04 2wn3 n THR 57 Cb 0.33 -0.30 0.14 0.00 -2.10 0.00 0.00 70.33 68.41 2wn3 n THR 57 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2wn3 n ASN 58 N 0.39 2.87 -4.92 3.42 3.02 -1.26 -4.88 115.26 113.89 2wn3 n ASN 58 Ca 0.15 -1.99 -0.26 0.00 -0.03 0.00 0.00 54.58 52.45 2wn3 n ASN 58 Cb 0.72 -0.22 0.01 0.00 -0.61 0.00 0.00 39.78 39.69 2wn3 n ASN 58 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2wn3 s GLN 59 N -1.00 3.21 -0.09 3.52 -1.52 -1.26 -4.99 119.66 117.54 2wn3 s GLN 59 Ca 0.22 -0.04 -0.32 0.00 -1.95 0.00 0.00 55.36 53.27 2wn3 s GLN 59 Cb 0.11 -2.39 0.12 0.00 -0.22 0.00 0.00 33.01 30.63 2wn3 s GLN 59 CO 0.15 -0.38 1.04 1.52 -0.25 0.00 0.00 175.29 177.36 2wn3 s TYR 60 N -2.77 -0.25 -0.08 0.91 -0.85 -1.26 -3.78 117.35 109.26 2wn3 s TYR 60 Ca 0.50 0.15 0.03 0.00 -0.52 0.00 0.00 57.07 57.22 2wn3 s TYR 60 Cb -0.10 0.53 0.01 0.00 0.38 0.00 0.00 41.96 42.77 2wn3 s TYR 60 CO 0.43 -0.39 -0.16 -1.50 -1.52 0.00 0.00 175.55 172.41 2wn3 s ILE 61 N -2.80 1.45 -0.14 -3.49 2.07 -0.82 -1.39 121.20 116.09 2wn3 s ILE 61 Ca 0.07 -0.65 -0.04 0.00 -1.41 0.00 0.00 60.65 58.62 2wn3 s ILE 61 Cb -0.01 -1.30 -0.03 0.00 0.13 0.00 0.00 42.46 41.25 2wn3 s ILE 61 CO -0.07 0.43 -0.02 -0.69 -1.91 0.00 0.00 174.94 172.68 2wn3 s VAL 62 N 0.65 4.08 -0.18 4.00 1.01 0.85 -1.52 120.40 129.29 2wn3 s VAL 62 Ca -0.14 -0.30 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 2wn3 s VAL 62 Cb -0.16 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 2wn3 s VAL 62 CO 0.04 0.52 -0.02 0.00 0.00 0.00 0.00 175.10 175.64 2wn3 s ALA 63 N 0.06 3.02 -0.07 5.51 0.00 0.55 -1.75 121.76 129.08 2wn3 s ALA 63 Ca 0.01 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.09 2wn3 s ALA 63 Cb -0.13 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.31 2wn3 s ALA 63 CO 0.02 0.01 -0.20 0.20 0.00 0.00 0.00 175.76 175.78 2wn3 s GLY 64 N 0.73 1.14 -0.07 0.00 0.00 -0.20 -1.22 107.32 107.69 2wn3 s GLY 64 Ca -0.01 -0.82 0.04 0.00 0.00 0.00 0.00 44.72 43.93 2wn3 s GLY 64 CO 0.02 -0.30 -0.18 0.00 0.00 0.00 0.00 173.10 172.64 2wn3 h GLU 66 N 5.92 0.00 -5.10 0.00 5.08 -1.87 -3.41 114.58 115.19 2wn3 h GLU 66 Ca -0.36 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.38 2wn3 h GLU 66 Cb 1.17 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.28 2wn3 h GLU 66 CO 0.50 0.44 -0.51 0.08 -1.00 0.00 0.00 179.01 178.52 2wn3 s VAL 67 N -3.24 5.33 0.42 3.13 1.01 -1.26 -5.04 120.40 120.74 2wn3 s VAL 67 Ca 0.02 0.17 -0.26 0.00 0.00 0.00 0.00 61.98 61.91 2wn3 s VAL 67 Cb 0.09 -3.48 -0.10 0.00 0.00 0.00 0.00 36.38 32.89 2wn3 s VAL 67 CO 0.71 0.36 1.31 -2.65 0.00 0.00 0.00 175.10 174.83 2wn3 n PRO 68 N 4.21 2.04 -4.30 2.72 -0.02 -1.26 -4.83 135.00 133.56 2wn3 n PRO 68 Ca -0.15 0.72 -0.19 0.00 -2.02 0.00 0.00 63.50 61.86 2wn3 n PRO 68 Cb 0.52 -2.43 -0.11 0.00 -0.02 0.00 0.00 33.50 31.46 2wn3 n PRO 68 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2wn3 s ARG 69 N -2.20 1.21 -0.43 -0.52 1.81 -0.25 -4.96 118.95 113.61 2wn3 s ARG 69 Ca 0.60 -1.42 -0.14 0.00 -1.72 0.00 0.00 55.73 53.05 2wn3 s ARG 69 Cb -0.50 -1.09 0.05 0.00 -0.45 0.00 0.00 34.95 32.96 2wn3 s ARG 69 CO 0.59 0.20 0.31 0.99 -0.68 0.00 0.00 175.30 176.71 2wn3 s THR 70 N -2.48 4.97 -0.27 0.02 2.01 -1.26 -1.50 115.64 117.13 2wn3 s THR 70 Ca 0.16 -0.95 -0.26 0.00 0.31 0.00 0.00 61.69 60.95 2wn3 s THR 70 Cb -0.03 -3.88 0.00 0.00 0.01 0.00 0.00 72.50 68.61 2wn3 s THR 70 CO 0.05 -0.42 0.92 -0.36 -0.69 0.00 0.00 174.62 174.12 2wn3 s PHE 71 N 1.60 3.26 -0.13 4.92 0.40 0.31 -1.40 117.98 126.96 2wn3 s PHE 71 Ca 0.04 1.16 0.02 0.00 -0.60 0.00 0.00 56.93 57.55 2wn3 s PHE 71 Cb -0.21 -3.26 -0.24 0.00 0.51 0.00 0.00 43.02 39.82 2wn3 s PHE 71 CO 0.07 -0.52 0.33 -1.33 0.70 0.00 0.00 175.22 174.46 2wn3 n MET 72 N 6.28 0.70 -3.61 0.44 2.81 -0.18 -1.44 117.12 122.13 2wn3 n MET 72 Ca 0.08 0.23 -0.16 0.00 -1.81 0.00 0.00 57.70 56.04 2wn3 n MET 72 Cb 0.47 -1.68 -0.07 0.00 -0.71 0.00 0.00 33.22 31.23 2wn3 n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wn3 s VAL 74 N -0.66 2.46 -0.16 0.00 0.11 -0.33 -1.15 120.40 120.68 2wn3 s VAL 74 Ca -0.07 -0.89 -0.05 0.00 -2.93 0.00 0.00 61.98 58.04 2wn3 s VAL 74 Cb -0.02 -1.97 -0.03 0.00 -1.53 0.00 0.00 36.38 32.82 2wn3 s VAL 74 CO 0.06 0.55 0.01 0.00 -3.33 0.00 0.00 175.10 172.39 2wn3 s ALA 75 N 0.15 3.22 0.12 1.54 0.00 0.25 -0.40 121.76 126.64 2wn3 s ALA 75 Ca -0.11 -0.78 0.07 0.00 0.00 0.00 0.00 51.96 51.14 2wn3 s ALA 75 Cb -0.16 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.22 2wn3 s ALA 75 CO 0.06 0.26 -0.08 -1.17 0.00 0.00 0.00 175.76 174.84 2wn3 s LEU 76 N 0.16 3.11 -0.02 0.00 2.96 -0.65 -1.46 118.68 122.78 2wn3 s LEU 76 Ca 0.02 -0.38 -0.14 0.00 -0.22 0.00 0.00 54.13 53.40 2wn3 s LEU 76 Cb -0.13 -1.87 0.02 0.00 0.50 0.00 0.00 46.19 44.71 2wn3 s LEU 76 CO 0.02 0.16 0.30 -1.58 -1.32 0.00 0.00 176.35 173.93 2wn3 s GLN 77 N -2.36 0.64 0.24 1.98 0.74 -0.26 -1.48 119.66 119.16 2wn3 s GLN 77 Ca 0.23 -0.16 -0.04 0.00 0.05 0.00 0.00 55.36 55.44 2wn3 s GLN 77 Cb -0.11 0.28 0.06 0.00 1.10 0.00 0.00 33.01 34.34 2wn3 s GLN 77 CO 0.15 -0.17 0.31 0.41 -0.55 0.00 0.00 175.29 175.44 2wn3 n GLY 78 N 1.39 -1.42 3.72 2.59 0.00 -0.82 -1.26 105.19 109.39 2wn3 n GLY 78 Ca -0.21 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 2wn3 n GLY 78 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wn3 s ARG 79 N -3.67 4.61 0.32 1.61 3.52 -0.36 -4.09 118.95 120.89 2wn3 s ARG 79 Ca 0.18 1.46 0.15 0.00 -0.13 0.00 0.00 55.73 57.39 2wn3 s ARG 79 Cb -0.01 -3.42 0.48 0.00 -1.56 0.00 0.00 34.95 30.45 2wn3 s ARG 79 CO 0.13 0.04 1.65 0.78 -0.81 0.00 0.00 175.30 177.08 2wn3 h GLY 80 N 6.31 0.00 -0.65 8.12 0.00 -1.47 -3.31 103.07 112.06 2wn3 h GLY 80 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2wn3 h GLY 80 CO 0.74 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.37 2wn3 n ASP 81 N -3.57 1.75 -3.71 0.19 5.75 -1.26 -4.98 116.55 110.72 2wn3 n ASP 81 Ca -0.00 -1.39 -0.10 0.00 -0.01 0.00 0.00 54.79 53.28 2wn3 n ASP 81 Cb 0.58 -0.02 -0.04 0.00 -1.03 0.00 0.00 41.12 40.61 2wn3 n ASP 81 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wn3 s ALA 82 N -0.68 -0.86 -1.39 2.12 0.00 -1.25 -5.04 121.76 114.65 2wn3 s ALA 82 Ca 0.10 -0.20 -0.12 0.00 0.00 0.00 0.00 51.96 51.73 2wn3 s ALA 82 Cb 0.07 0.80 0.09 0.00 0.00 0.00 0.00 23.12 24.07 2wn3 s ALA 82 CO 0.10 -0.73 2.11 -0.25 0.00 0.00 0.00 175.76 176.99 2wn3 n ASP 83 N -0.29 4.44 -3.86 0.00 8.00 -1.26 -4.50 116.55 119.08 2wn3 n ASP 83 Ca -0.12 -2.94 -0.18 0.00 0.71 0.00 0.00 54.79 52.26 2wn3 n ASP 83 Cb 0.63 -1.59 -0.16 0.00 -0.02 0.00 0.00 41.12 39.98 2wn3 n ASP 83 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2wn3 s GLN 84 N 2.08 0.54 0.14 -1.24 -0.21 -1.26 -4.44 119.66 115.26 2wn3 s GLN 84 Ca 0.45 -0.02 -0.24 0.00 0.02 0.00 0.00 55.36 55.56 2wn3 s GLN 84 Cb 0.13 -0.63 0.07 0.00 1.00 0.00 0.00 33.01 33.58 2wn3 s GLN 84 CO -0.05 -0.09 0.73 1.67 -2.12 0.00 0.00 175.29 175.43 2wn3 s TRP 85 N 0.88 -0.39 -0.24 0.91 -2.14 -0.82 -1.23 118.94 115.92 2wn3 s TRP 85 Ca -0.10 0.15 -0.08 0.00 2.66 0.00 0.00 56.10 58.73 2wn3 s TRP 85 Cb -0.13 0.59 -0.03 0.00 -3.10 0.00 0.00 33.47 30.79 2wn3 s TRP 85 CO -0.01 -0.83 0.08 0.08 -2.66 0.00 0.00 176.95 173.62 2wn3 s VAL 86 N -3.56 4.55 -0.13 -0.66 1.01 -1.24 -0.31 120.40 120.05 2wn3 s VAL 86 Ca 0.05 -0.10 0.18 0.00 0.00 0.00 0.00 61.98 62.11 2wn3 s VAL 86 Cb -0.02 -3.11 -0.19 0.00 0.00 0.00 0.00 36.38 33.06 2wn3 s VAL 86 CO -0.07 0.35 0.63 0.35 0.00 0.00 0.00 175.10 176.36 2wn3 n THR 87 N 4.62 1.03 -3.78 3.92 -2.24 -0.18 -1.56 114.28 116.10 2wn3 n THR 87 Ca -0.16 -0.69 -0.10 0.00 -2.27 0.00 0.00 64.05 60.83 2wn3 n THR 87 Cb 0.52 -0.57 -0.06 0.00 -2.10 0.00 0.00 70.33 68.12 2wn3 n THR 87 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2wn3 s SER 88 N -5.52 -0.09 0.15 3.42 1.04 -1.15 -0.28 113.70 111.28 2wn3 s SER 88 Ca -0.05 -0.56 -0.21 0.00 0.48 0.00 0.00 55.95 55.60 2wn3 s SER 88 Cb 0.09 0.45 0.06 0.00 0.10 0.00 0.00 66.02 66.72 2wn3 s SER 88 CO 0.83 -0.87 0.56 -0.72 0.98 0.00 0.00 173.24 174.02 2wn3 s TYR 89 N -3.87 -0.47 0.22 5.02 1.13 -0.69 -1.04 117.35 117.65 2wn3 s TYR 89 Ca 0.08 0.24 0.08 0.00 -1.41 0.00 0.00 57.07 56.06 2wn3 s TYR 89 Cb 0.02 0.49 -0.04 0.00 -1.10 0.00 0.00 41.96 41.34 2wn3 s TYR 89 CO -0.07 -0.82 0.01 -1.59 -2.51 0.00 0.00 175.55 170.57 2wn3 s LYS 90 N -3.75 2.37 -0.13 -3.49 -2.85 -0.24 0.30 119.74 111.95 2wn3 s LYS 90 Ca 0.01 -1.25 -0.01 0.00 -1.00 0.00 0.00 55.97 53.73 2wn3 s LYS 90 Cb -0.00 -2.27 -0.02 0.00 -2.06 0.00 0.00 37.83 33.48 2wn3 s LYS 90 CO -0.13 0.41 -0.11 0.42 0.10 0.00 0.00 175.35 176.04 2wn3 s ILE 91 N -2.01 3.25 0.17 3.79 -1.09 -1.26 -0.80 121.20 123.24 2wn3 s ILE 91 Ca 0.29 -0.60 0.10 0.00 -2.23 0.00 0.00 60.65 58.21 2wn3 s ILE 91 Cb -0.08 -2.37 -0.04 0.00 -1.58 0.00 0.00 42.46 38.39 2wn3 s ILE 91 CO 0.19 0.53 -0.21 -0.13 -1.23 0.00 0.00 174.94 174.09 2wn3 s ARG 92 N 0.24 1.35 0.11 2.79 0.52 -0.80 -1.25 118.95 121.90 2wn3 s ARG 92 Ca -0.07 -1.42 -0.21 0.00 -0.52 0.00 0.00 55.73 53.51 2wn3 s ARG 92 Cb -0.15 -1.54 0.05 0.00 0.52 0.00 0.00 34.95 33.83 2wn3 s ARG 92 CO 0.05 0.33 0.52 1.52 0.02 0.00 0.00 175.30 177.74 2wn3 s TYR 93 N -1.76 -0.41 -0.03 -0.53 -0.85 -0.06 -0.77 117.35 112.94 2wn3 s TYR 93 Ca 0.16 0.26 -0.02 0.00 -0.52 0.00 0.00 57.07 56.95 2wn3 s TYR 93 Cb -0.07 0.40 0.01 0.00 0.38 0.00 0.00 41.96 42.69 2wn3 s TYR 93 CO 0.07 -0.74 0.06 0.45 -1.52 0.00 0.00 175.55 173.87 2wn3 s SER 94 N -2.51 -0.04 -0.19 -0.18 0.15 -0.06 -0.69 113.70 110.18 2wn3 s SER 94 Ca -0.00 0.12 -0.17 0.00 0.70 0.00 0.00 55.95 56.59 2wn3 s SER 94 Cb 0.00 0.08 -0.20 0.00 -1.71 0.00 0.00 66.02 64.19 2wn3 s SER 94 CO -0.09 -0.06 0.20 -0.11 1.20 0.00 0.00 173.24 174.39 2wn3 n LEU 95 N 3.42 2.06 -0.38 3.45 7.94 -1.26 -0.41 117.00 131.81 2wn3 n LEU 95 Ca -0.17 0.36 0.13 0.00 -1.11 0.00 0.00 56.01 55.22 2wn3 n LEU 95 Cb 0.57 -0.99 0.34 0.00 0.53 0.00 0.00 43.42 43.87 2wn3 n LEU 95 CO 0.23 0.44 0.66 -0.90 -1.11 0.00 0.00 177.39 176.71 2wn3 n ASP 96 N -4.19 1.41 -1.44 1.96 5.75 -1.26 -4.09 116.55 114.69 2wn3 n ASP 96 Ca -0.34 -1.20 -0.17 0.00 -0.01 0.00 0.00 54.79 53.07 2wn3 n ASP 96 Cb 0.78 0.14 -0.06 0.00 -1.03 0.00 0.00 41.12 40.96 2wn3 n ASP 96 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2wn3 n ASN 97 N -0.23 -5.01 0.03 -1.12 5.03 -1.26 -4.80 115.26 107.90 2wn3 n ASN 97 Ca 0.14 0.31 0.00 0.00 0.87 0.00 0.00 54.58 55.90 2wn3 n ASN 97 Cb 0.38 -4.02 0.00 0.00 -1.02 0.00 0.00 39.78 35.13 2wn3 n ASN 97 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 2wn3 n VAL 98 N -2.87 0.61 -4.07 2.41 0.31 -1.26 -5.03 118.33 108.42 2wn3 n VAL 98 Ca -0.18 0.20 -0.35 0.00 -0.01 0.00 0.00 64.34 64.01 2wn3 n VAL 98 Cb 0.58 -1.52 -0.09 0.00 -0.91 0.00 0.00 33.84 31.90 2wn3 n VAL 98 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2wn3 s SER 99 N -5.49 5.64 0.03 4.52 0.01 -1.26 -5.11 113.70 112.04 2wn3 s SER 99 Ca 0.00 0.15 0.02 0.00 1.31 0.00 0.00 55.95 57.43 2wn3 s SER 99 Cb 0.00 -1.88 -0.04 0.00 0.21 0.00 0.00 66.02 64.32 2wn3 s SER 99 CO 0.00 0.25 0.03 0.26 0.41 0.00 0.00 173.24 174.19 2wn3 s TRP 100 N -0.10 3.12 0.21 2.43 0.52 -1.26 -4.36 118.94 119.49 2wn3 s TRP 100 Ca 0.07 0.08 0.06 0.00 0.02 0.00 0.00 56.10 56.33 2wn3 s TRP 100 Cb -0.12 -1.65 -0.05 0.00 -1.15 0.00 0.00 33.47 30.50 2wn3 s TRP 100 CO 0.01 0.49 -0.11 -0.06 0.02 0.00 0.00 176.95 177.31 2wn3 s PHE 101 N -1.21 1.63 -0.10 -1.98 0.40 0.13 -4.97 117.98 111.88 2wn3 s PHE 101 Ca 0.23 -0.67 0.03 0.00 -0.60 0.00 0.00 56.93 55.92 2wn3 s PHE 101 Cb -0.12 -0.82 -0.01 0.00 0.51 0.00 0.00 43.02 42.58 2wn3 s PHE 101 CO 0.15 0.24 -0.19 -1.21 0.70 0.00 0.00 175.22 174.91 2wn3 s GLU 102 N -3.71 3.02 0.27 0.44 2.02 -1.26 -0.89 118.70 118.60 2wn3 s GLU 102 Ca 0.23 -0.79 -0.30 0.00 0.02 0.00 0.00 54.97 54.12 2wn3 s GLU 102 Cb 0.01 -2.41 -0.12 0.00 0.10 0.00 0.00 34.13 31.72 2wn3 s GLU 102 CO 0.06 0.28 1.63 -0.47 0.02 0.00 0.00 175.26 176.79 2wn3 s TYR 103 N 0.13 2.77 -1.36 1.61 6.04 -0.38 -2.42 117.35 123.73 2wn3 s TYR 103 Ca -0.10 0.67 -0.05 0.00 0.04 0.00 0.00 57.07 57.63 2wn3 s TYR 103 Cb -0.16 -4.10 0.03 0.00 -1.04 0.00 0.00 41.96 36.69 2wn3 s TYR 103 CO 0.06 -3.81 0.37 0.54 -1.54 0.00 0.00 175.55 171.17 2wn3 n ARG 104 N 2.60 -3.46 -2.19 4.97 1.74 -1.26 -0.71 116.66 118.34 2wn3 n ARG 104 Ca 0.10 0.69 -0.15 0.00 -0.77 0.00 0.00 57.85 57.72 2wn3 n ARG 104 Cb 0.37 -5.42 -0.02 0.00 -1.02 0.00 0.00 32.46 26.37 2wn3 n ARG 104 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wn3 n ASN 105 N -2.23 -4.35 0.00 0.55 3.02 -1.02 -1.73 115.26 109.50 2wn3 n ASN 105 Ca -0.10 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 2wn3 n ASN 105 Cb 0.60 -3.74 0.00 0.00 -0.61 0.00 0.00 39.78 36.03 2wn3 n ASN 105 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wn3 n GLY 106 N -0.73 0.78 3.75 7.41 0.00 0.11 -4.99 105.19 111.52 2wn3 n GLY 106 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 2wn3 n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wn3 s ALA 107 N -2.21 2.38 0.42 4.61 0.00 -0.71 -4.82 121.76 121.43 2wn3 s ALA 107 Ca 0.00 0.84 -0.25 0.00 0.00 0.00 0.00 51.96 52.56 2wn3 s ALA 107 Cb 0.00 -3.42 -0.08 0.00 0.00 0.00 0.00 23.12 19.62 2wn3 s ALA 107 CO 0.00 -1.42 1.21 0.00 0.00 0.00 0.00 175.76 175.55 2wn3 s ALA 108 N -1.92 3.14 0.04 0.00 0.00 -1.26 -4.60 121.76 117.16 2wn3 s ALA 108 Ca 0.74 1.05 0.04 0.00 0.00 0.00 0.00 51.96 53.78 2wn3 s ALA 108 Cb -0.27 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 2wn3 s ALA 108 CO 0.39 -0.66 -0.03 0.08 0.00 0.00 0.00 175.76 175.53 2wn3 s VAL 109 N -1.39 3.85 -0.05 0.00 1.01 0.15 -4.91 120.40 119.06 2wn3 s VAL 109 Ca 0.59 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 61.42 2wn3 s VAL 109 Cb -0.33 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 2wn3 s VAL 109 CO 0.41 0.28 1.34 -0.89 0.00 0.00 0.00 175.10 176.24 2wn3 s THR 110 N -1.14 3.96 0.00 3.92 2.01 -1.26 -1.71 115.64 121.42 2wn3 s THR 110 Ca 0.21 1.28 0.00 0.00 0.31 0.00 0.00 61.69 63.49 2wn3 s THR 110 Cb -0.11 -3.83 0.00 0.00 0.01 0.00 0.00 72.50 68.57 2wn3 s THR 110 CO 0.12 -0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.63 2wn3 n GLY 111 N 3.60 1.46 3.85 4.40 0.00 0.61 -4.92 105.19 114.19 2wn3 n GLY 111 Ca 0.13 -1.60 -0.24 0.00 0.00 0.00 0.00 46.02 44.32 2wn3 n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wn3 s VAL 112 N 2.59 2.21 0.00 1.61 -7.23 -0.60 -4.86 120.40 114.12 2wn3 s VAL 112 Ca 0.00 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 2wn3 s VAL 112 Cb 0.00 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 34.23 2wn3 s VAL 112 CO 0.00 0.00 0.60 0.35 -0.31 0.00 0.00 175.10 175.74 2wn3 n THR 113 N -1.53 0.34 -3.32 5.32 -2.24 -1.26 -4.21 114.28 107.38 2wn3 n THR 113 Ca 0.00 -0.39 -0.03 0.00 -2.27 0.00 0.00 64.05 61.37 2wn3 n THR 113 Cb 0.63 0.97 0.01 0.00 -2.10 0.00 0.00 70.33 69.84 2wn3 n THR 113 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2wn3 n ASP 114 N -0.17 -0.74 -0.01 3.42 5.68 -1.26 -5.08 116.55 118.39 2wn3 n ASP 114 Ca 0.00 -1.49 -0.17 0.00 -0.50 0.00 0.00 54.79 52.62 2wn3 n ASP 114 Cb 0.33 1.22 -0.09 0.00 -1.14 0.00 0.00 41.12 41.45 2wn3 n ASP 114 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2wn3 h ARG 115 N 0.00 0.63 0.00 0.11 3.08 -1.88 -3.32 114.38 112.99 2wn3 h ARG 115 Ca -0.11 -0.55 0.00 0.00 0.07 0.00 0.00 59.98 59.39 2wn3 h ARG 115 Cb 0.41 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2wn3 h ARG 115 CO 0.14 1.17 -0.57 0.09 -1.07 0.00 0.00 179.97 179.73 2wn3 n ASN 116 N -4.08 2.84 -4.62 7.04 3.02 -1.26 -1.94 115.26 116.27 2wn3 n ASN 116 Ca -0.09 -0.18 -0.43 0.00 -0.03 0.00 0.00 54.58 53.85 2wn3 n ASN 116 Cb 0.70 0.93 -0.02 0.00 -0.61 0.00 0.00 39.78 40.78 2wn3 n ASN 116 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2wn3 s THR 117 N -1.50 4.30 0.27 3.41 2.01 -1.26 -4.89 115.64 117.97 2wn3 s THR 117 Ca 0.00 1.41 -0.29 0.00 0.31 0.00 0.00 61.69 63.11 2wn3 s THR 117 Cb 0.00 -4.48 -0.09 0.00 0.01 0.00 0.00 72.50 67.93 2wn3 s THR 117 CO 0.00 -0.76 1.18 -0.69 -0.69 0.00 0.00 174.62 173.66 2wn3 s VAL 118 N 4.20 3.30 -0.26 3.82 1.01 -1.26 -4.73 120.40 126.47 2wn3 s VAL 118 Ca 0.48 1.25 0.00 0.00 0.00 0.00 0.00 61.98 63.72 2wn3 s VAL 118 Cb -0.10 -3.80 0.05 0.00 0.00 0.00 0.00 36.38 32.53 2wn3 s VAL 118 CO 0.25 0.28 -0.07 -0.69 0.00 0.00 0.00 175.10 174.86 2wn3 s VAL 119 N -0.89 2.57 0.08 2.92 1.01 -0.55 -4.99 120.40 120.55 2wn3 s VAL 119 Ca 0.48 -1.37 -0.28 0.00 0.00 0.00 0.00 61.98 60.81 2wn3 s VAL 119 Cb -0.34 -2.42 -0.06 0.00 0.00 0.00 0.00 36.38 33.56 2wn3 s VAL 119 CO 0.43 0.04 0.87 0.20 0.00 0.00 0.00 175.10 176.64 2wn3 s ASN 120 N 1.21 7.36 -0.24 3.32 0.01 -1.26 -1.64 114.94 123.70 2wn3 s ASN 120 Ca -0.05 1.63 0.02 0.00 -0.71 0.00 0.00 52.86 53.75 2wn3 s ASN 120 Cb -0.19 -2.53 0.05 0.00 0.41 0.00 0.00 41.25 38.99 2wn3 s ASN 120 CO -0.04 -0.03 -0.12 -2.28 -1.51 0.00 0.00 177.10 173.12 2wn3 s HIS 121 N -0.03 3.13 -0.16 2.20 5.65 0.46 -4.99 115.29 121.55 2wn3 s HIS 121 Ca 0.43 -2.04 -0.27 0.00 0.25 0.00 0.00 55.06 53.43 2wn3 s HIS 121 Cb -0.22 -1.96 -0.01 0.00 -1.18 0.00 0.00 32.58 29.21 2wn3 s HIS 121 CO 0.27 -0.84 0.91 -0.06 -0.65 0.00 0.00 174.74 174.37 2wn3 s PHE 122 N 1.18 3.43 0.37 3.88 0.40 -1.26 -1.19 117.98 124.79 2wn3 s PHE 122 Ca -0.04 1.38 -0.27 0.00 -0.60 0.00 0.00 56.93 57.39 2wn3 s PHE 122 Cb -0.18 -3.11 -0.10 0.00 0.51 0.00 0.00 43.02 40.15 2wn3 s PHE 122 CO -0.07 -0.28 1.35 -0.06 0.70 0.00 0.00 175.22 176.86 2wn3 s PHE 123 N 2.30 2.85 0.23 0.36 0.40 -0.69 -4.88 117.98 118.55 2wn3 s PHE 123 Ca 0.42 1.36 -0.09 0.00 -0.60 0.00 0.00 56.93 58.02 2wn3 s PHE 123 Cb -0.17 -3.75 0.37 0.00 0.51 0.00 0.00 43.02 39.98 2wn3 s PHE 123 CO 0.13 -2.21 1.64 -0.44 0.70 0.00 0.00 175.22 175.04 2wn3 h ASP 124 N 3.02 -0.36 -3.75 1.36 3.32 -1.95 -3.35 116.42 114.71 2wn3 h ASP 124 Ca -0.50 0.18 -0.63 0.00 0.02 0.00 0.00 57.03 56.10 2wn3 h ASP 124 Cb 1.24 0.33 -0.32 0.00 0.22 0.00 0.00 39.33 40.80 2wn3 h ASP 124 CO 0.64 -0.16 -0.86 -0.89 -1.72 0.00 0.00 179.24 176.24 2wn3 s THR 125 N -6.14 1.79 0.49 0.35 2.01 -1.26 -5.13 115.64 107.74 2wn3 s THR 125 Ca -0.14 -0.90 -0.21 0.00 0.31 0.00 0.00 61.69 60.76 2wn3 s THR 125 Cb 0.21 -1.53 -0.10 0.00 0.01 0.00 0.00 72.50 71.09 2wn3 s THR 125 CO 0.75 0.50 0.76 -2.65 -0.69 0.00 0.00 174.62 173.29 2wn3 n PRO 126 N 3.23 0.86 -3.88 4.92 -0.02 -1.26 -4.94 135.00 133.91 2wn3 n PRO 126 Ca -0.19 0.32 -0.36 0.00 -2.02 0.00 0.00 63.50 61.26 2wn3 n PRO 126 Cb 0.52 -1.83 -0.11 0.00 -0.02 0.00 0.00 33.50 32.06 2wn3 n PRO 126 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2wn3 s ILE 127 N -1.48 4.59 -0.37 4.25 1.01 -0.52 -4.89 121.20 123.80 2wn3 s ILE 127 Ca 0.67 -0.09 -0.20 0.00 0.00 0.00 0.00 60.65 61.02 2wn3 s ILE 127 Cb -0.52 -3.11 0.01 0.00 0.01 0.00 0.00 42.46 38.84 2wn3 s ILE 127 CO 0.55 0.39 0.64 -0.60 0.00 0.00 0.00 174.94 175.91 2wn3 s ARG 128 N 1.05 3.61 0.17 2.79 6.06 -1.26 -0.53 118.95 130.84 2wn3 s ARG 128 Ca 0.04 -0.02 -0.18 0.00 -2.50 0.00 0.00 55.73 53.07 2wn3 s ARG 128 Cb -0.14 -3.83 0.04 0.00 0.06 0.00 0.00 34.95 31.08 2wn3 s ARG 128 CO 0.03 -0.78 0.51 0.00 -2.50 0.00 0.00 175.30 172.56 2wn3 s ALA 129 N 2.73 -1.09 -0.25 6.12 0.00 -0.56 -4.49 121.76 124.21 2wn3 s ALA 129 Ca 0.24 -0.01 -0.14 0.00 0.00 0.00 0.00 51.96 52.04 2wn3 s ALA 129 Cb -0.14 0.81 -0.15 0.00 0.00 0.00 0.00 23.12 23.64 2wn3 s ALA 129 CO 0.16 -0.75 -0.14 0.54 0.00 0.00 0.00 175.76 175.56 2wn3 n ARG 130 N -0.32 0.60 -4.53 0.00 1.74 0.45 -1.09 116.66 113.51 2wn3 n ARG 130 Ca -0.13 0.34 -0.26 0.00 -0.77 0.00 0.00 57.85 57.03 2wn3 n ARG 130 Cb 0.63 -1.58 -0.13 0.00 -1.02 0.00 0.00 32.46 30.36 2wn3 n ARG 130 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2wn3 s SER 131 N -7.19 2.75 -0.04 0.55 0.01 -0.69 -0.51 113.70 108.58 2wn3 s SER 131 Ca -0.35 -0.62 -0.07 0.00 1.31 0.00 0.00 55.95 56.22 2wn3 s SER 131 Cb 0.11 -0.20 0.01 0.00 0.21 0.00 0.00 66.02 66.15 2wn3 s SER 131 CO 0.55 0.15 0.16 -0.51 0.41 0.00 0.00 173.24 173.99 2wn3 s ILE 132 N -0.96 0.04 -0.00 1.44 2.07 -0.36 -0.88 121.20 122.55 2wn3 s ILE 132 Ca 0.09 -0.29 0.01 0.00 -1.41 0.00 0.00 60.65 59.05 2wn3 s ILE 132 Cb -0.10 -0.33 -0.00 0.00 0.13 0.00 0.00 42.46 42.16 2wn3 s ILE 132 CO 0.03 -0.16 -0.03 0.00 -1.91 0.00 0.00 174.94 172.87 2wn3 s ALA 133 N -0.54 0.26 -0.25 1.50 0.00 0.05 -0.33 121.76 122.45 2wn3 s ALA 133 Ca -0.06 -0.13 -0.11 0.00 0.00 0.00 0.00 51.96 51.66 2wn3 s ALA 133 Cb -0.04 -0.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 2wn3 s ALA 133 CO 0.01 0.06 0.17 0.42 0.00 0.00 0.00 175.76 176.43 2wn3 s ILE 134 N -0.07 5.34 -0.35 0.00 1.01 -0.58 -1.91 121.20 124.65 2wn3 s ILE 134 Ca 0.01 0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.87 2wn3 s ILE 134 Cb -0.01 -3.51 0.10 0.00 0.01 0.00 0.00 42.46 39.04 2wn3 s ILE 134 CO -0.00 0.32 0.08 -1.00 0.00 0.00 0.00 174.94 174.33 2wn3 s HIS 135 N 1.24 3.67 0.29 3.97 3.76 0.02 -1.94 115.29 126.29 2wn3 s HIS 135 Ca 0.08 -2.76 -0.30 0.00 -0.15 0.00 0.00 55.06 51.93 2wn3 s HIS 135 Cb -0.14 -2.90 -0.11 0.00 1.11 0.00 0.00 32.58 30.54 2wn3 s HIS 135 CO 0.06 -0.94 1.55 -2.14 -0.85 0.00 0.00 174.74 172.41 2wn3 s PRO 136 N 0.99 4.15 -0.09 8.40 0.02 -1.25 -1.07 135.00 146.15 2wn3 s PRO 136 Ca 0.08 2.52 0.04 0.00 0.02 0.00 0.00 61.00 63.66 2wn3 s PRO 136 Cb -0.20 -3.03 -0.08 0.00 0.02 0.00 0.00 34.50 31.20 2wn3 s PRO 136 CO -0.07 -0.57 -0.04 1.28 -0.33 0.00 0.00 177.00 177.27 2wn3 n LEU 137 N 1.99 1.68 -3.94 -5.54 4.77 -0.21 -4.69 117.00 111.06 2wn3 n LEU 137 Ca 0.07 -0.03 -0.10 0.00 -0.03 0.00 0.00 56.01 55.92 2wn3 n LEU 137 Cb 0.38 -0.12 -0.10 0.00 -2.33 0.00 0.00 43.42 41.25 2wn3 n LEU 137 CO 0.63 0.46 -0.28 0.42 -1.33 0.00 0.00 177.39 177.29 2wn3 s THR 138 N -2.20 0.11 0.15 -5.08 -4.23 -1.05 -4.89 115.64 98.44 2wn3 s THR 138 Ca -0.09 -0.90 -0.16 0.00 -1.18 0.00 0.00 61.69 59.36 2wn3 s THR 138 Cb 0.03 -0.44 0.03 0.00 1.34 0.00 0.00 72.50 73.46 2wn3 s THR 138 CO 0.28 -0.49 0.43 -1.66 -0.54 0.00 0.00 174.62 172.63 2wn3 s TRP 139 N -1.67 -0.11 -0.29 3.99 -2.14 -1.26 -1.00 118.94 116.46 2wn3 s TRP 139 Ca -0.13 -0.22 -0.08 0.00 2.66 0.00 0.00 56.10 58.32 2wn3 s TRP 139 Cb -0.07 0.26 -0.01 0.00 -3.10 0.00 0.00 33.47 30.55 2wn3 s TRP 139 CO -0.01 -0.77 0.11 1.21 -2.66 0.00 0.00 176.95 174.83 2wn3 s ASN 140 N -2.84 5.30 0.00 -2.66 2.47 0.58 -4.81 114.94 112.98 2wn3 s ASN 140 Ca 0.06 -0.51 0.00 0.00 0.42 0.00 0.00 52.86 52.84 2wn3 s ASN 140 Cb 0.01 -1.94 0.00 0.00 -1.45 0.00 0.00 41.25 37.87 2wn3 s ASN 140 CO -0.08 -0.15 0.00 0.61 -3.72 0.00 0.00 177.10 173.76 2wn3 n GLY 141 N 4.93 1.79 3.53 1.21 0.00 -1.26 -1.94 105.19 113.46 2wn3 n GLY 141 Ca -0.15 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 2wn3 n GLY 141 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wn3 s HIS 142 N 0.00 -0.39 -0.93 1.61 2.46 -1.26 -5.04 115.29 111.74 2wn3 s HIS 142 Ca 0.00 0.17 -0.24 0.00 0.47 0.00 0.00 55.06 55.46 2wn3 s HIS 142 Cb 0.00 0.58 0.05 0.00 -0.13 0.00 0.00 32.58 33.08 2wn3 s HIS 142 CO 0.00 -0.78 1.37 0.42 -2.47 0.00 0.00 174.74 173.28 2wn3 s ILE 143 N -3.49 3.92 -0.03 0.89 1.01 -1.26 -3.72 121.20 118.51 2wn3 s ILE 143 Ca 0.05 -0.47 -0.01 0.00 0.00 0.00 0.00 60.65 60.22 2wn3 s ILE 143 Cb -0.02 -4.99 0.03 0.00 0.01 0.00 0.00 42.46 37.49 2wn3 s ILE 143 CO -0.08 -1.88 0.06 -0.44 0.00 0.00 0.00 174.94 172.61 2wn3 s SER 144 N 4.52 0.18 0.08 3.58 0.01 -1.26 -1.77 113.70 119.04 2wn3 s SER 144 Ca 0.41 0.11 -0.18 0.00 1.31 0.00 0.00 55.95 57.61 2wn3 s SER 144 Cb -0.03 -0.01 0.04 0.00 0.21 0.00 0.00 66.02 66.23 2wn3 s SER 144 CO -0.02 -0.15 0.42 -1.48 0.41 0.00 0.00 173.24 172.41 2wn3 s LEU 145 N 1.28 0.33 0.14 2.44 0.05 -0.23 -3.73 118.68 118.96 2wn3 s LEU 145 Ca -0.07 -0.10 0.10 0.00 0.05 0.00 0.00 54.13 54.11 2wn3 s LEU 145 Cb -0.13 1.83 -0.04 0.00 -2.05 0.00 0.00 46.19 45.81 2wn3 s LEU 145 CO -0.04 -0.75 -0.24 -0.13 -0.55 0.00 0.00 176.35 174.65 2wn3 s ARG 146 N -3.01 1.33 0.20 1.48 0.52 -0.39 -0.95 118.95 118.14 2wn3 s ARG 146 Ca -0.02 -1.34 -0.17 0.00 -0.52 0.00 0.00 55.73 53.68 2wn3 s ARG 146 Cb 0.00 -1.68 0.02 0.00 0.52 0.00 0.00 34.95 33.81 2wn3 s ARG 146 CO -0.06 0.38 0.52 0.00 0.02 0.00 0.00 175.30 176.16 2wn3 s GLU 148 N -3.90 0.55 -0.02 0.00 2.56 -0.53 -1.67 118.70 115.69 2wn3 s GLU 148 Ca 0.11 -0.36 0.05 0.00 0.00 0.00 0.00 54.97 54.77 2wn3 s GLU 148 Cb -0.01 0.23 -0.03 0.00 2.00 0.00 0.00 34.13 36.33 2wn3 s GLU 148 CO -0.01 -0.14 -0.17 -0.06 -0.56 0.00 0.00 175.26 174.33 2wn3 s PHE 149 N -1.44 2.62 -0.16 5.30 0.40 -1.26 -0.58 117.98 122.86 2wn3 s PHE 149 Ca -0.14 -0.22 0.01 0.00 -0.60 0.00 0.00 56.93 55.98 2wn3 s PHE 149 Cb -0.07 -1.57 0.01 0.00 0.51 0.00 0.00 43.02 41.90 2wn3 s PHE 149 CO 0.02 0.17 -0.19 0.71 0.70 0.00 0.00 175.22 176.64 2wn3 s TYR 150 N -0.77 2.75 0.22 0.36 1.51 -0.30 -1.16 117.35 119.96 2wn3 s TYR 150 Ca 0.12 -1.40 0.10 0.00 -1.01 0.00 0.00 57.07 54.88 2wn3 s TYR 150 Cb -0.10 -1.89 -0.05 0.00 -0.11 0.00 0.00 41.96 39.81 2wn3 s TYR 150 CO 0.02 -0.67 -0.20 0.95 -1.11 0.00 0.00 175.55 174.53 2wn3 s THR 151 N 1.06 2.19 0.59 -0.71 -4.23 -0.51 -1.01 115.64 113.02 2wn3 s THR 151 Ca -0.01 -2.15 -0.20 0.00 -1.18 0.00 0.00 61.69 58.15 2wn3 s THR 151 Cb -0.14 -2.11 -0.03 0.00 1.34 0.00 0.00 72.50 71.56 2wn3 s THR 151 CO -0.06 -0.32 1.31 -1.10 -0.54 0.00 0.00 174.62 173.91 2wn3 s GLN 152 N -3.10 2.89 0.58 3.99 -1.52 -0.49 -0.29 119.66 121.72 2wn3 s GLN 152 Ca 0.23 2.12 -0.20 0.00 -1.95 0.00 0.00 55.36 55.55 2wn3 s GLN 152 Cb -0.06 -2.06 -0.04 0.00 -0.22 0.00 0.00 33.01 30.64 2wn3 s GLN 152 CO 0.10 -1.35 1.28 -2.30 -0.25 0.00 0.00 175.29 172.77 2wn3 n PRO 153 N -1.43 1.41 -4.06 2.91 -0.02 -1.26 -4.69 135.00 127.85 2wn3 n PRO 153 Ca 0.13 0.53 -0.27 0.00 -2.02 0.00 0.00 63.50 61.87 2wn3 n PRO 153 Cb 0.47 -2.49 -0.05 0.00 -0.02 0.00 0.00 33.50 31.40 2wn3 n PRO 153 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2wn3 s VAL 154 N -1.34 4.63 0.05 -1.45 -7.23 -1.26 -5.01 120.40 108.80 2wn3 s VAL 154 Ca 0.75 -0.98 0.09 0.00 -1.81 0.00 0.00 61.98 60.02 2wn3 s VAL 154 Cb -0.41 -3.36 -0.03 0.00 0.56 0.00 0.00 36.38 33.14 2wn3 s VAL 154 CO 0.46 -0.08 -0.23 -1.10 -0.31 0.00 0.00 175.10 173.84 2wn3 s GLN 155 N -3.06 1.86 -0.12 4.82 -1.52 -1.26 -5.10 119.66 115.28 2wn3 s GLN 155 Ca 0.31 -1.09 0.02 0.00 -1.95 0.00 0.00 55.36 52.65 2wn3 s GLN 155 Cb -0.10 -2.05 0.02 0.00 -0.22 0.00 0.00 33.01 30.65 2wn3 s GLN 155 CO 0.24 0.52 -0.16 0.45 -0.25 0.00 0.00 175.29 176.09 2wn3 s SER 156 N -1.42 2.60 0.23 5.90 0.15 -1.26 -5.02 113.70 114.87 2wn3 s SER 156 Ca 0.13 -0.47 0.09 0.00 0.70 0.00 0.00 55.95 56.41 2wn3 s SER 156 Cb -0.10 -1.17 -0.04 0.00 -1.71 0.00 0.00 66.02 63.00 2wn3 s SER 156 CO 0.04 0.01 -0.05 -0.94 1.20 0.00 0.00 173.24 173.50 2wn3 s SER 157 N 1.05 4.39 -0.06 5.45 1.04 -1.26 0.25 113.70 124.56 2wn3 s SER 157 Ca -0.05 -0.62 0.02 0.00 0.48 0.00 0.00 55.95 55.78 2wn3 s SER 157 Cb -0.15 -0.78 0.02 0.00 0.10 0.00 0.00 66.02 65.21 2wn3 s SER 157 CO -0.03 0.05 -0.08 -0.69 0.98 0.00 0.00 173.24 173.46 2wn3 s VAL 158 N -2.05 0.83 0.00 5.02 1.01 -0.42 -4.99 120.40 119.80 2wn3 s VAL 158 Ca 0.29 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 62.05 2wn3 s VAL 158 Cb -0.07 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 2wn3 s VAL 158 CO 0.18 0.29 -0.25 -0.89 0.00 0.00 0.00 175.10 174.43 2wn3 s THR 159 N 0.80 2.19 -0.06 3.92 2.01 -1.26 -0.99 115.64 122.24 2wn3 s THR 159 Ca -0.13 -1.18 0.03 0.00 0.31 0.00 0.00 61.69 60.73 2wn3 s THR 159 Cb -0.15 -1.80 0.01 0.00 0.01 0.00 0.00 72.50 70.57 2wn3 s THR 159 CO 0.02 0.50 -0.16 -1.10 -0.69 0.00 0.00 174.62 173.19 2wn3 s GLN 160 N -0.86 1.94 -0.12 4.92 -0.21 0.36 -5.00 119.66 120.70 2wn3 s GLN 160 Ca 0.11 -0.55 -0.04 0.00 0.02 0.00 0.00 55.36 54.90 2wn3 s GLN 160 Cb -0.10 -1.59 -0.03 0.00 1.00 0.00 0.00 33.01 32.29 2wn3 s GLN 160 CO 0.00 0.12 0.02 0.08 -2.12 0.00 0.00 175.29 173.39 2wn3 s VAL 161 N 0.42 4.49 -0.01 1.09 1.01 -1.26 -0.77 120.40 125.37 2wn3 s VAL 161 Ca -0.12 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 61.72 2wn3 s VAL 161 Cb -0.15 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 2wn3 s VAL 161 CO 0.04 0.56 -0.09 -0.83 0.00 0.00 0.00 175.10 174.78 2wn3 s GLY 162 N -0.46 0.47 0.04 4.51 0.00 -0.61 -5.01 107.32 106.26 2wn3 s GLY 162 Ca 0.09 -0.39 0.04 0.00 0.00 0.00 0.00 44.72 44.46 2wn3 s GLY 162 CO 0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 173.10 172.79 2wn3 s ALA 163 N -0.14 3.12 -0.61 3.20 0.00 -1.26 -0.60 121.76 125.47 2wn3 s ALA 163 Ca 0.02 -1.06 -0.03 0.00 0.00 0.00 0.00 51.96 50.89 2wn3 s ALA 163 Cb -0.05 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 21.93 2wn3 s ALA 163 CO -0.00 0.64 0.52 -0.25 0.00 0.00 0.00 175.76 176.68 2wn3 n ASP 164 N 1.17 -3.44 -4.69 0.00 8.00 -1.04 -4.97 116.55 111.57 2wn3 n ASP 164 Ca -0.14 -0.26 -0.42 0.00 0.71 0.00 0.00 54.79 54.68 2wn3 n ASP 164 Cb 0.52 -2.61 -0.03 0.00 -0.02 0.00 0.00 41.12 38.98 2wn3 n ASP 164 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2wn3 s ILE 165 N -3.15 3.77 0.01 0.53 -1.09 -0.05 -4.85 121.20 116.37 2wn3 s ILE 165 Ca 0.19 1.18 0.04 0.00 -2.23 0.00 0.00 60.65 59.83 2wn3 s ILE 165 Cb -0.08 -3.76 -0.01 0.00 -1.58 0.00 0.00 42.46 37.02 2wn3 s ILE 165 CO 0.34 0.02 -0.13 -0.47 -1.23 0.00 0.00 174.94 173.46 2wn3 s TYR 166 N 2.10 1.17 0.36 3.97 5.04 -1.26 -1.35 117.35 127.38 2wn3 s TYR 166 Ca 0.62 -0.27 0.20 0.00 -2.44 0.00 0.00 57.07 55.18 2wn3 s TYR 166 Cb -0.31 -0.73 1.02 0.00 0.35 0.00 0.00 41.96 42.29 2wn3 s TYR 166 CO 0.26 0.00 1.92 1.79 -1.34 0.00 0.00 175.55 178.19 2wn3 h THR 167 N 4.69 0.91 0.00 4.34 1.35 -1.66 -3.48 112.91 119.05 2wn3 h THR 167 Ca -0.35 -0.95 0.00 0.00 -0.55 0.00 0.00 66.41 64.56 2wn3 h THR 167 Cb 1.17 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 2wn3 h THR 167 CO 0.47 0.24 0.00 0.61 -0.25 0.00 0.00 175.52 176.59 2wn3 n GLY 168 N -0.49 0.71 3.77 5.82 0.00 -1.26 -4.81 105.19 108.93 2wn3 n GLY 168 Ca -0.02 -1.71 -0.38 0.00 0.00 0.00 0.00 46.02 43.92 2wn3 n GLY 168 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wn3 s ASP 169 N -1.13 6.12 -1.31 1.61 1.01 -1.26 -3.81 116.67 117.90 2wn3 s ASP 169 Ca 0.00 2.39 -0.07 0.00 0.71 0.00 0.00 52.55 55.58 2wn3 s ASP 169 Cb 0.00 -2.61 -0.00 0.00 1.01 0.00 0.00 42.92 41.32 2wn3 s ASP 169 CO 0.00 -0.96 0.57 -3.20 0.21 0.00 0.00 175.17 171.79 2wn3 n ASN 170 N -0.44 -2.00 -4.06 0.27 5.15 -0.73 -4.92 115.26 108.53 2wn3 n ASN 170 Ca 0.07 -0.99 -0.30 0.00 -0.60 0.00 0.00 54.58 52.76 2wn3 n ASN 170 Cb 0.47 -3.26 0.20 0.00 -0.53 0.00 0.00 39.78 36.66 2wn3 n ASN 170 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wn3 h ALA 172 N -1.95 1.13 0.00 0.00 0.00 -1.90 -1.03 119.26 115.51 2wn3 h ALA 172 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2wn3 h ALA 172 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2wn3 h ALA 172 CO 0.38 -0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.78 2wn3 n LEU 173 N -2.90 0.00 -1.19 0.00 4.77 -1.26 -3.37 117.00 113.05 2wn3 n LEU 173 Ca -0.02 0.26 0.10 0.00 -0.03 0.00 0.00 56.01 56.31 2wn3 n LEU 173 Cb 0.19 -0.26 0.28 0.00 -2.33 0.00 0.00 43.42 41.30 2wn3 n LEU 173 CO 0.16 -0.07 0.74 -3.20 -1.33 0.00 0.00 177.39 173.69 2wn3 n ASN 174 N -1.26 3.45 -3.93 -1.43 5.15 -0.39 -0.95 115.26 115.90 2wn3 n ASN 174 Ca 0.11 -2.06 -0.08 0.00 -0.60 0.00 0.00 54.58 51.95 2wn3 n ASN 174 Cb 0.17 -0.43 -0.08 0.00 -0.53 0.00 0.00 39.78 38.90 2wn3 n ASN 174 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2wn3 s THR 175 N -1.27 0.16 0.00 -0.44 -1.32 -1.22 -4.74 115.64 106.81 2wn3 s THR 175 Ca 0.42 -1.31 0.00 0.00 -1.21 0.00 0.00 61.69 59.59 2wn3 s THR 175 Cb 0.23 -1.29 0.00 0.00 -1.51 0.00 0.00 72.50 69.92 2wn3 s THR 175 CO 0.27 -0.72 0.00 0.61 -2.21 0.00 0.00 174.62 172.57 2wn3 n GLY 176 N 0.15 -2.22 3.35 6.08 0.00 -1.26 -5.01 105.19 106.28 2wn3 n GLY 176 Ca -0.16 -1.52 -0.12 0.00 0.00 0.00 0.00 46.02 44.23 2wn3 n GLY 176 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wn3 s SER 177 N -3.09 0.20 0.00 1.61 1.04 -1.26 -4.81 113.70 107.38 2wn3 s SER 177 Ca 0.00 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.17 2wn3 s SER 177 Cb 0.00 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2wn3 s SER 177 CO 0.00 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.85 2wn3 n GLY 178 N -0.34 -2.27 3.71 7.32 0.00 -0.02 -4.81 105.19 108.77 2wn3 n GLY 178 Ca 0.01 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 2wn3 n GLY 178 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wn3 s LYS 179 N -0.45 4.19 0.01 1.61 2.47 -1.26 -3.88 119.74 122.44 2wn3 s LYS 179 Ca 0.00 2.41 0.00 0.00 -1.56 0.00 0.00 55.97 56.82 2wn3 s LYS 179 Cb 0.00 -3.31 -0.01 0.00 -1.46 0.00 0.00 37.83 33.05 2wn3 s LYS 179 CO 0.00 -0.68 -0.02 1.03 0.16 0.00 0.00 175.35 175.83 2wn3 s ARG 180 N 1.71 0.22 0.04 4.03 0.52 -0.79 -4.99 118.95 119.69 2wn3 s ARG 180 Ca 0.73 -0.42 0.00 0.00 -0.52 0.00 0.00 55.73 55.52 2wn3 s ARG 180 Cb -0.44 0.07 -0.03 0.00 0.52 0.00 0.00 34.95 35.07 2wn3 s ARG 180 CO 0.32 -0.03 -0.05 -1.83 0.02 0.00 0.00 175.30 173.73 2wn3 s GLU 181 N -1.00 0.50 -0.15 3.54 -1.05 -1.26 -1.85 118.70 117.43 2wn3 s GLU 181 Ca -0.11 -0.89 0.00 0.00 -0.15 0.00 0.00 54.97 53.82 2wn3 s GLU 181 Cb -0.07 0.00 0.02 0.00 -0.44 0.00 0.00 34.13 33.65 2wn3 s GLU 181 CO -0.01 -0.04 -0.14 0.08 0.95 0.00 0.00 175.26 176.11 2wn3 s VAL 182 N -2.34 1.53 -0.21 1.83 1.01 0.27 -4.86 120.40 117.63 2wn3 s VAL 182 Ca -0.05 -0.61 -0.08 0.00 0.00 0.00 0.00 61.98 61.24 2wn3 s VAL 182 Cb -0.03 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 2wn3 s VAL 182 CO -0.03 0.45 0.08 -0.69 0.00 0.00 0.00 175.10 174.90 2wn3 s VAL 183 N 1.50 4.72 -0.24 2.92 1.01 -1.26 -1.02 120.40 128.02 2wn3 s VAL 183 Ca 0.05 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.00 2wn3 s VAL 183 Cb -0.13 -3.16 0.05 0.00 0.00 0.00 0.00 36.38 33.15 2wn3 s VAL 183 CO -0.10 0.41 -0.12 -0.69 0.00 0.00 0.00 175.10 174.59 2wn3 s VAL 184 N 0.84 2.07 0.38 2.92 1.01 -0.10 -4.97 120.40 122.56 2wn3 s VAL 184 Ca 0.04 -1.49 -0.26 0.00 0.00 0.00 0.00 61.98 60.28 2wn3 s VAL 184 Cb -0.14 -2.16 -0.09 0.00 0.00 0.00 0.00 36.38 34.00 2wn3 s VAL 184 CO 0.02 0.04 1.18 -2.84 0.00 0.00 0.00 175.10 173.51 2wn3 s PRO 185 N 1.16 4.13 -0.06 2.72 0.02 -1.26 -0.78 135.00 140.93 2wn3 s PRO 185 Ca -0.07 1.88 0.03 0.00 0.02 0.00 0.00 61.00 62.87 2wn3 s PRO 185 Cb -0.19 -2.76 0.00 0.00 0.02 0.00 0.00 34.50 31.57 2wn3 s PRO 185 CO -0.06 -0.27 -0.15 0.08 -0.33 0.00 0.00 177.00 176.27 2wn3 s VAL 186 N -1.36 1.34 -0.15 3.83 1.01 0.56 -4.88 120.40 120.75 2wn3 s VAL 186 Ca 0.55 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.89 2wn3 s VAL 186 Cb -0.32 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 2wn3 s VAL 186 CO 0.40 0.39 -0.13 -0.75 0.00 0.00 0.00 175.10 175.02 2wn3 s LYS 187 N 0.32 3.33 0.54 2.72 2.20 -1.26 -1.26 119.74 126.34 2wn3 s LYS 187 Ca -0.10 -0.70 -0.19 0.00 -0.36 0.00 0.00 55.97 54.62 2wn3 s LYS 187 Cb -0.14 -2.68 -0.06 0.00 -1.51 0.00 0.00 37.83 33.45 2wn3 s LYS 187 CO 0.03 0.10 1.13 -0.06 -0.36 0.00 0.00 175.35 176.20 2wn3 s PHE 188 N 0.63 2.67 0.23 4.03 0.08 -0.07 -4.93 117.98 120.63 2wn3 s PHE 188 Ca -0.07 1.54 -0.06 0.00 0.12 0.00 0.00 56.93 58.46 2wn3 s PHE 188 Cb -0.15 -3.29 0.41 0.00 -0.57 0.00 0.00 43.02 39.41 2wn3 s PHE 188 CO 0.03 -1.58 1.72 0.37 -0.10 0.00 0.00 175.22 175.66 2wn3 h GLN 189 N 1.21 0.38 -4.84 0.44 4.15 -1.96 -3.43 115.11 111.06 2wn3 h GLN 189 Ca -0.50 -0.02 -0.27 0.00 0.77 0.00 0.00 58.65 58.62 2wn3 h GLN 189 Cb 1.26 -0.09 -0.15 0.00 0.21 0.00 0.00 27.48 28.71 2wn3 h GLN 189 CO 0.57 0.25 -0.71 -0.59 -1.93 0.00 0.00 178.83 176.43 2wn3 s PHE 190 N -6.05 1.05 0.03 3.99 -0.12 -1.26 -5.13 117.98 110.48 2wn3 s PHE 190 Ca -0.13 -0.82 -0.30 0.00 -0.05 0.00 0.00 56.93 55.63 2wn3 s PHE 190 Cb 0.20 -0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 41.98 2wn3 s PHE 190 CO 0.76 -0.05 1.02 -2.00 -0.05 0.00 0.00 175.22 174.90 2wn3 s GLU 191 N -3.65 4.55 0.59 1.99 2.12 -1.26 -4.88 118.70 118.16 2wn3 s GLU 191 Ca 0.13 1.49 -0.18 0.00 0.36 0.00 0.00 54.97 56.77 2wn3 s GLU 191 Cb 0.03 -3.43 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 2wn3 s GLU 191 CO -0.02 -0.06 1.12 -0.06 -0.54 0.00 0.00 175.26 175.70 2wn3 s PHE 192 N 0.90 2.64 0.14 5.30 0.08 -0.48 -4.98 117.98 121.57 2wn3 s PHE 192 Ca 0.53 1.55 0.15 0.00 0.12 0.00 0.00 56.93 59.27 2wn3 s PHE 192 Cb -0.23 -3.25 0.41 0.00 -0.57 0.00 0.00 43.02 39.39 2wn3 s PHE 192 CO 0.29 -1.64 1.61 0.00 -0.10 0.00 0.00 175.22 175.37 2wn3 h ALA 193 N 0.72 0.87 -2.34 5.36 0.00 -1.96 -3.46 119.26 118.45 2wn3 h ALA 193 Ca -0.49 -0.47 -0.19 0.00 0.00 0.00 0.00 54.91 53.76 2wn3 h ALA 193 Cb 1.26 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.81 2wn3 h ALA 193 CO 0.56 0.65 -0.66 0.95 0.00 0.00 0.00 179.25 180.75 2wn3 s THR 194 N -3.41 0.28 0.08 0.00 -4.23 -1.26 -5.11 115.64 101.99 2wn3 s THR 194 Ca 0.00 -1.90 -0.31 0.00 -1.18 0.00 0.00 61.69 58.30 2wn3 s THR 194 Cb 0.11 -1.92 -0.09 0.00 1.34 0.00 0.00 72.50 71.93 2wn3 s THR 194 CO 0.73 -0.61 1.77 -0.22 -0.54 0.00 0.00 174.62 175.75 2wn3 s LEU 195 N -3.05 4.39 0.52 4.79 2.96 -1.26 -4.79 118.68 122.23 2wn3 s LEU 195 Ca 0.20 2.61 -0.08 0.00 -0.22 0.00 0.00 54.13 56.64 2wn3 s LEU 195 Cb 0.07 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.16 2wn3 s LEU 195 CO -0.01 -0.96 0.86 -2.16 -1.32 0.00 0.00 176.35 172.77 2wn3 s PRO 196 N 3.00 3.60 0.02 0.98 0.04 -1.26 -4.65 135.00 136.72 2wn3 s PRO 196 Ca 0.79 0.42 -0.08 0.00 0.04 0.00 0.00 61.00 62.17 2wn3 s PRO 196 Cb -0.42 -2.28 -0.05 0.00 0.04 0.00 0.00 34.50 31.79 2wn3 s PRO 196 CO 0.35 -0.30 0.30 0.15 0.04 0.00 0.00 177.00 177.54 2wn3 s LYS 197 N -4.76 3.64 -0.11 4.56 1.02 -0.29 -4.90 119.74 118.89 2wn3 s LYS 197 Ca 0.50 0.02 0.01 0.00 0.02 0.00 0.00 55.97 56.52 2wn3 s LYS 197 Cb -0.10 -3.08 0.02 0.00 -0.52 0.00 0.00 37.83 34.15 2wn3 s LYS 197 CO 0.46 0.64 -0.13 0.08 -0.92 0.00 0.00 175.35 175.48 2wn3 s VAL 198 N -1.29 1.34 -0.02 3.17 1.01 -1.26 -0.87 120.40 122.48 2wn3 s VAL 198 Ca 0.28 -0.53 -0.14 0.00 0.00 0.00 0.00 61.98 61.59 2wn3 s VAL 198 Cb -0.14 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 2wn3 s VAL 198 CO 0.16 0.41 0.38 0.00 0.00 0.00 0.00 175.10 176.05 2wn3 s ALA 199 N 1.22 3.71 -0.26 5.51 0.00 0.33 -4.90 121.76 127.36 2wn3 s ALA 199 Ca -0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 51.96 51.66 2wn3 s ALA 199 Cb -0.14 -2.35 0.15 0.00 0.00 0.00 0.00 23.12 20.78 2wn3 s ALA 199 CO -0.04 0.48 0.40 -1.17 0.00 0.00 0.00 175.76 175.43 2wn3 s LEU 200 N -1.02 -0.72 0.09 0.00 2.96 -1.26 -1.14 118.68 117.58 2wn3 s LEU 200 Ca 0.23 0.06 0.02 0.00 -0.22 0.00 0.00 54.13 54.22 2wn3 s LEU 200 Cb -0.16 1.17 -0.04 0.00 0.50 0.00 0.00 46.19 47.66 2wn3 s LEU 200 CO 0.12 -0.32 -0.07 0.20 -1.32 0.00 0.00 176.35 174.97 2wn3 s ASN 201 N 2.56 1.15 0.29 3.68 0.01 -0.89 -4.76 114.94 116.98 2wn3 s ASN 201 Ca 0.12 -0.95 -0.29 0.00 -0.71 0.00 0.00 52.86 51.03 2wn3 s ASN 201 Cb -0.14 0.08 -0.09 0.00 0.41 0.00 0.00 41.25 41.50 2wn3 s ASN 201 CO -0.21 -0.42 1.06 -0.36 -1.51 0.00 0.00 177.10 175.66 2wn3 s PHE 202 N -3.32 3.62 0.00 2.20 0.40 -1.26 -1.83 117.98 117.79 2wn3 s PHE 202 Ca 0.09 1.74 0.00 0.00 -0.60 0.00 0.00 56.93 58.16 2wn3 s PHE 202 Cb 0.03 -3.20 0.00 0.00 0.51 0.00 0.00 43.02 40.36 2wn3 s PHE 202 CO -0.04 -0.36 0.13 -0.40 0.70 0.00 0.00 175.22 175.26 2wn3 n ASP 203 N 1.09 0.27 -3.67 1.36 5.75 -0.50 -4.85 116.55 115.99 2wn3 n ASP 203 Ca -0.01 -0.60 -0.08 0.00 -0.01 0.00 0.00 54.79 54.09 2wn3 n ASP 203 Cb 0.46 0.52 -0.09 0.00 -1.03 0.00 0.00 41.12 40.98 2wn3 n ASP 203 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 2wn3 s GLN 204 N -0.52 0.53 -0.07 0.11 0.74 -1.16 -4.98 119.66 114.31 2wn3 s GLN 204 Ca 0.00 1.03 0.01 0.00 0.05 0.00 0.00 55.36 56.45 2wn3 s GLN 204 Cb 0.00 0.12 0.02 0.00 1.10 0.00 0.00 33.01 34.26 2wn3 s GLN 204 CO 0.00 -0.16 -0.07 0.42 -0.55 0.00 0.00 175.29 174.93 2wn3 s ILE 205 N 1.68 0.80 -0.33 -2.34 1.01 -1.26 -1.33 121.20 119.43 2wn3 s ILE 205 Ca -0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.31 2wn3 s ILE 205 Cb -0.08 -0.80 0.12 0.00 0.01 0.00 0.00 42.46 41.71 2wn3 s ILE 205 CO -0.16 0.30 0.17 -0.62 0.00 0.00 0.00 174.94 174.62 2wn3 s ASP 206 N 1.13 3.41 0.09 3.58 -1.08 -0.91 -5.04 116.67 117.84 2wn3 s ASP 206 Ca -0.07 -1.82 -0.09 0.00 -0.52 0.00 0.00 52.55 50.06 2wn3 s ASP 206 Cb -0.14 -0.51 -0.00 0.00 -1.46 0.00 0.00 42.92 40.80 2wn3 s ASP 206 CO -0.01 -0.37 0.19 0.00 0.52 0.00 0.00 175.17 175.50 2wn3 s THR 208 N -3.78 4.62 0.74 0.00 2.01 -0.05 -4.95 115.64 114.23 2wn3 s THR 208 Ca 0.04 -0.12 -0.11 0.00 0.31 0.00 0.00 61.69 61.81 2wn3 s THR 208 Cb 0.04 -2.99 0.03 0.00 0.01 0.00 0.00 72.50 69.60 2wn3 s THR 208 CO -0.11 0.57 1.08 1.51 -0.69 0.00 0.00 174.62 176.98 2wn3 s ASP 209 N -0.56 5.01 -0.21 3.53 1.47 -1.26 -4.07 116.67 120.59 2wn3 s ASP 209 Ca 0.10 1.44 -0.01 0.00 1.18 0.00 0.00 52.55 55.26 2wn3 s ASP 209 Cb -0.12 -2.25 0.06 0.00 -0.34 0.00 0.00 42.92 40.27 2wn3 s ASP 209 CO 0.02 -1.65 -0.03 0.00 0.68 0.00 0.00 175.17 174.19 2wn3 s ALA 210 N -3.12 1.55 -1.40 2.11 0.00 -0.25 -4.76 121.76 115.89 2wn3 s ALA 210 Ca 0.59 -1.03 -0.09 0.00 0.00 0.00 0.00 51.96 51.43 2wn3 s ALA 210 Cb -0.14 -1.28 0.01 0.00 0.00 0.00 0.00 23.12 21.71 2wn3 s ALA 210 CO 0.54 -1.09 0.33 2.41 0.00 0.00 0.00 175.76 177.95 2wn3 n THR 211 N 4.84 -2.42 -0.83 0.00 -1.04 -1.26 -1.11 114.28 112.46 2wn3 n THR 211 Ca -0.11 -0.56 0.00 0.00 -2.04 0.00 0.00 64.05 61.34 2wn3 n THR 211 Cb 0.46 -2.06 0.00 0.00 -1.82 0.00 0.00 70.33 66.90 2wn3 n THR 211 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2wn3 n ASN 212 N -2.75 -1.40 -4.79 8.00 3.02 -1.26 -4.99 115.26 111.09 2wn3 n ASN 212 Ca -0.26 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 53.93 2wn3 n ASN 212 Cb 0.66 -1.49 -0.07 0.00 -0.61 0.00 0.00 39.78 38.27 2wn3 n ASN 212 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2wn3 s GLN 213 N -0.66 3.71 -0.18 3.52 2.00 -0.27 -5.01 119.66 122.77 2wn3 s GLN 213 Ca 0.00 -0.21 -0.13 0.00 -2.00 0.00 0.00 55.36 53.02 2wn3 s GLN 213 Cb 0.00 -3.24 -0.05 0.00 0.80 0.00 0.00 33.01 30.53 2wn3 s GLN 213 CO 0.00 0.56 0.27 0.99 -0.50 0.00 0.00 175.29 176.61 2wn3 s THR 214 N -0.41 5.32 -0.20 -0.34 2.01 -1.26 -1.10 115.64 119.67 2wn3 s THR 214 Ca 0.11 0.48 -0.04 0.00 0.31 0.00 0.00 61.69 62.56 2wn3 s THR 214 Cb -0.12 -3.61 0.07 0.00 0.01 0.00 0.00 72.50 68.85 2wn3 s THR 214 CO 0.01 0.38 0.08 -0.13 -0.69 0.00 0.00 174.62 174.27 2wn3 s ARG 215 N 0.58 0.30 -0.02 4.92 0.52 -1.26 -5.07 118.95 118.92 2wn3 s ARG 215 Ca 0.15 -0.29 -0.11 0.00 -0.52 0.00 0.00 55.73 54.96 2wn3 s ARG 215 Cb -0.13 -1.86 0.01 0.00 0.52 0.00 0.00 34.95 33.50 2wn3 s ARG 215 CO 0.03 -0.71 0.23 0.96 0.02 0.00 0.00 175.30 175.83 2wn3 s ILE 216 N 2.02 0.06 0.10 1.52 -4.36 -1.26 -4.47 121.20 114.81 2wn3 s ILE 216 Ca 0.02 -0.49 -0.18 0.00 -0.26 0.00 0.00 60.65 59.74 2wn3 s ILE 216 Cb -0.16 -0.50 0.04 0.00 1.25 0.00 0.00 42.46 43.08 2wn3 s ILE 216 CO -0.13 -0.27 0.43 -0.83 0.24 0.00 0.00 174.94 174.38 2wn3 s GLY 217 N -1.14 -0.31 -0.07 6.27 0.00 -0.65 -5.01 107.32 106.42 2wn3 s GLY 217 Ca -0.12 0.12 -0.06 0.00 0.00 0.00 0.00 44.72 44.66 2wn3 s GLY 217 CO 0.03 -0.15 0.18 0.54 0.00 0.00 0.00 173.10 173.70 2wn3 s VAL 218 N -3.40 -0.00 -0.18 1.40 0.11 -1.26 -0.94 120.40 116.13 2wn3 s VAL 218 Ca 0.00 0.02 -0.18 0.00 -2.93 0.00 0.00 61.98 58.89 2wn3 s VAL 218 Cb 0.01 -0.26 0.05 0.00 -1.53 0.00 0.00 36.38 34.65 2wn3 s VAL 218 CO -0.09 0.01 0.51 -1.58 -3.33 0.00 0.00 175.10 170.62 2wn3 s GLN 219 N 0.21 0.63 0.46 1.54 2.00 -0.27 -4.92 119.66 119.31 2wn3 s GLN 219 Ca -0.01 0.64 -0.22 0.00 -2.00 0.00 0.00 55.36 53.77 2wn3 s GLN 219 Cb -0.02 0.30 -0.08 0.00 0.80 0.00 0.00 33.01 34.01 2wn3 s GLN 219 CO -0.01 -0.09 1.06 -2.14 -0.50 0.00 0.00 175.29 173.61 2wn3 s PRO 220 N 0.10 3.88 0.04 1.67 0.02 -1.26 -0.70 135.00 138.76 2wn3 s PRO 220 Ca -0.01 1.46 0.02 0.00 0.02 0.00 0.00 61.00 62.48 2wn3 s PRO 220 Cb -0.04 -2.26 -0.02 0.00 0.02 0.00 0.00 34.50 32.21 2wn3 s PRO 220 CO 0.01 -0.38 -0.07 0.50 -0.33 0.00 0.00 177.00 176.74 2wn3 s ARG 221 N -2.96 0.50 -1.26 5.54 3.52 0.12 -4.91 118.95 119.51 2wn3 s ARG 221 Ca 0.64 -0.74 -0.03 0.00 -0.13 0.00 0.00 55.73 55.47 2wn3 s ARG 221 Cb -0.20 -0.24 0.01 0.00 -1.56 0.00 0.00 34.95 32.96 2wn3 s ARG 221 CO 0.24 0.04 1.04 0.09 -0.81 0.00 0.00 175.30 175.90 2wn3 n ASN 222 N 1.47 -3.42 -4.71 -2.12 3.02 -1.26 -0.81 115.26 107.43 2wn3 n ASN 222 Ca -0.23 -0.61 -0.42 0.00 -0.03 0.00 0.00 54.58 53.29 2wn3 n ASN 222 Cb 0.55 -5.01 -0.03 0.00 -0.61 0.00 0.00 39.78 34.68 2wn3 n ASN 222 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2wn3 s ILE 223 N -3.36 3.51 0.45 2.41 1.01 -1.26 -4.32 121.20 119.63 2wn3 s ILE 223 Ca 0.20 1.06 0.03 0.00 0.00 0.00 0.00 60.65 61.94 2wn3 s ILE 223 Cb -0.09 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 2wn3 s ILE 223 CO 0.74 0.07 0.09 0.42 0.00 0.00 0.00 174.94 176.26 2wn3 s THR 224 N 1.30 0.77 0.29 2.92 -4.23 -0.01 -5.01 115.64 111.66 2wn3 s THR 224 Ca 0.63 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 59.50 2wn3 s THR 224 Cb -0.35 -2.27 0.36 0.00 1.34 0.00 0.00 72.50 71.59 2wn3 s THR 224 CO 0.29 0.00 2.09 0.71 -0.54 0.00 0.00 174.62 177.17 2wn3 h THR 225 N 1.63 0.00 0.00 3.99 1.35 -1.87 -3.24 112.91 114.77 2wn3 h THR 225 Ca -0.38 -0.06 -0.19 0.00 -0.55 0.00 0.00 66.41 65.23 2wn3 h THR 225 Cb 1.29 0.89 -0.04 0.00 -1.73 0.00 0.00 68.15 68.56 2wn3 h THR 225 CO 0.62 0.00 -2.20 0.29 -0.25 0.00 0.00 175.52 173.98 2wn3 n LYS 226 N -2.79 0.68 -2.83 4.72 5.02 -1.26 -1.39 118.16 120.31 2wn3 n LYS 226 Ca -0.02 -0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 2wn3 n LYS 226 Cb 0.09 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 2wn3 n LYS 226 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wn3 n GLY 227 N 1.51 -0.56 3.81 0.72 0.00 -1.22 -0.89 105.19 108.55 2wn3 n GLY 227 Ca -0.19 -0.72 -0.05 0.00 0.00 0.00 0.00 46.02 45.06 2wn3 n GLY 227 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wn3 s PHE 228 N -3.15 -0.16 -0.25 1.61 -0.71 -0.39 -0.83 117.98 114.10 2wn3 s PHE 228 Ca 0.00 -0.23 -0.11 0.00 -1.04 0.00 0.00 56.93 55.55 2wn3 s PHE 228 Cb 0.00 0.68 -0.05 0.00 -1.21 0.00 0.00 43.02 42.44 2wn3 s PHE 228 CO 0.00 -1.03 0.19 -0.51 -1.34 0.00 0.00 175.22 172.52 2wn3 s ASP 229 N -2.93 6.12 -0.42 1.98 1.01 0.01 -0.33 116.67 122.11 2wn3 s ASP 229 Ca 0.12 0.12 -0.25 0.00 0.71 0.00 0.00 52.55 53.25 2wn3 s ASP 229 Cb -0.04 -2.12 0.02 0.00 1.01 0.00 0.00 42.92 41.79 2wn3 s ASP 229 CO 0.05 0.02 0.87 0.00 0.21 0.00 0.00 175.17 176.32 2wn3 s VAL 231 N 3.48 4.58 0.11 0.00 1.01 0.13 -0.92 120.40 128.79 2wn3 s VAL 231 Ca 0.35 -1.06 -0.20 0.00 0.00 0.00 0.00 61.98 61.07 2wn3 s VAL 231 Cb -0.11 -3.66 -0.07 0.00 0.00 0.00 0.00 36.38 32.53 2wn3 s VAL 231 CO 0.22 -0.38 0.63 -0.36 0.00 0.00 0.00 175.10 175.21 2wn3 s PHE 232 N 1.53 3.80 0.12 5.22 0.08 -0.19 -1.12 117.98 127.41 2wn3 s PHE 232 Ca 0.03 1.35 -0.14 0.00 0.12 0.00 0.00 56.93 58.28 2wn3 s PHE 232 Cb -0.21 -2.56 0.03 0.00 -0.57 0.00 0.00 43.02 39.71 2wn3 s PHE 232 CO 0.05 0.54 0.35 1.52 -0.10 0.00 0.00 175.22 177.58 2wn3 s TYR 233 N -1.18 -0.12 0.34 0.36 -0.85 -0.12 -0.57 117.35 115.21 2wn3 s TYR 233 Ca 0.32 -0.22 0.04 0.00 -0.52 0.00 0.00 57.07 56.69 2wn3 s TYR 233 Cb -0.20 0.18 -0.01 0.00 0.38 0.00 0.00 41.96 42.31 2wn3 s TYR 233 CO 0.21 -0.66 0.37 -2.37 -1.52 0.00 0.00 175.55 171.58 2wn3 n THR 234 N -0.17 0.00 -3.85 -3.49 5.66 -0.77 -1.63 114.28 110.02 2wn3 n THR 234 Ca -0.16 -2.16 -0.09 0.00 -3.05 0.00 0.00 64.05 58.59 2wn3 n THR 234 Cb 0.63 1.17 0.01 0.00 -1.55 0.00 0.00 70.33 70.59 2wn3 n THR 234 CO 0.00 0.00 0.00 -1.66 -3.05 0.00 0.00 175.07 170.36 2wn3 s TRP 235 N -3.16 0.23 0.00 1.09 -2.14 -1.26 -1.88 118.94 111.81 2wn3 s TRP 235 Ca 0.35 -0.84 0.00 0.00 2.66 0.00 0.00 56.10 58.28 2wn3 s TRP 235 Cb 0.01 0.71 0.00 0.00 -3.10 0.00 0.00 33.47 31.09 2wn3 s TRP 235 CO 0.25 -1.50 0.00 -1.71 -2.66 0.00 0.00 176.95 171.33 2wn3 n ASN 236 N -1.36 0.00 -0.70 -2.66 2.85 -1.25 -2.88 115.26 109.26 2wn3 n ASN 236 Ca -0.07 0.00 0.09 0.00 -0.11 0.00 0.00 54.58 54.49 2wn3 n ASN 236 Cb 0.60 0.00 0.27 0.00 1.24 0.00 0.00 39.78 41.89 2wn3 n ASN 236 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2wn3 n GLU 237 N 6.85 1.90 -2.14 1.20 -0.58 -1.26 -0.84 120.64 125.77 2wn3 n GLU 237 Ca 0.00 -1.38 -0.39 0.00 -0.42 0.00 0.00 57.16 54.97 2wn3 n GLU 237 Cb 0.00 -1.37 -0.01 0.00 -0.57 0.00 0.00 31.44 29.49 2wn3 n GLU 237 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2wn3 s ASN 238 N -1.30 6.31 -0.22 1.62 -0.87 -1.14 -4.92 114.94 114.43 2wn3 s ASN 238 Ca 0.31 2.52 -0.03 0.00 -1.57 0.00 0.00 52.86 54.09 2wn3 s ASN 238 Cb 0.16 -2.63 -0.00 0.00 -0.02 0.00 0.00 41.25 38.77 2wn3 s ASN 238 CO 0.23 -0.84 -0.07 -0.54 -2.57 0.00 0.00 177.10 173.32 2wn3 s LYS 239 N -2.33 3.26 -0.23 -0.60 -0.14 -1.26 -4.77 119.74 113.67 2wn3 s LYS 239 Ca 0.58 -0.69 0.00 0.00 -1.36 0.00 0.00 55.97 54.50 2wn3 s LYS 239 Cb -0.35 -2.93 0.03 0.00 -1.68 0.00 0.00 37.83 32.90 2wn3 s LYS 239 CO 0.44 -0.22 -0.12 0.08 -0.76 0.00 0.00 175.35 174.77 2wn3 s VAL 240 N 1.43 2.43 0.00 3.17 1.01 -0.13 -0.87 120.40 127.45 2wn3 s VAL 240 Ca 0.05 -1.17 -0.25 0.00 0.00 0.00 0.00 61.98 60.61 2wn3 s VAL 240 Cb -0.14 -2.23 -0.19 0.00 0.00 0.00 0.00 36.38 33.82 2wn3 s VAL 240 CO -0.05 0.24 1.36 0.22 0.00 0.00 0.00 175.10 176.87 2wn3 h TYR 241 N 7.92 -0.01 -2.95 5.22 3.20 -1.53 -2.42 116.97 126.41 2wn3 h TYR 241 Ca -0.33 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.50 2wn3 h TYR 241 Cb 1.10 0.00 -0.14 0.00 1.54 0.00 0.00 36.73 39.24 2wn3 h TYR 241 CO 0.56 0.38 0.12 -1.54 -1.64 0.00 0.00 178.16 176.04 2wn3 s SER 242 N -5.58 -0.49 -0.00 -2.11 1.04 -0.88 -1.05 113.70 104.63 2wn3 s SER 242 Ca -0.15 0.03 -0.02 0.00 0.48 0.00 0.00 55.95 56.29 2wn3 s SER 242 Cb 0.02 0.55 -0.00 0.00 0.10 0.00 0.00 66.02 66.69 2wn3 s SER 242 CO 0.67 -0.87 0.04 -0.76 0.98 0.00 0.00 173.24 173.30 2wn3 s LEU 243 N -2.48 1.90 0.03 2.42 1.43 -1.26 -2.14 118.68 118.58 2wn3 s LEU 243 Ca -0.01 -0.18 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 2wn3 s LEU 243 Cb -0.00 0.26 -0.02 0.00 0.03 0.00 0.00 46.19 46.46 2wn3 s LEU 243 CO -0.09 -0.20 -0.09 -0.60 0.23 0.00 0.00 176.35 175.61 2wn3 s ARG 244 N -0.81 0.62 0.01 1.70 3.52 -0.44 -1.52 118.95 122.03 2wn3 s ARG 244 Ca -0.09 -0.63 -0.08 0.00 -0.13 0.00 0.00 55.73 54.80 2wn3 s ARG 244 Cb -0.05 -0.50 0.00 0.00 -1.56 0.00 0.00 34.95 32.83 2wn3 s ARG 244 CO -0.00 0.12 0.15 0.00 -0.81 0.00 0.00 175.30 174.76 2wn3 s ALA 245 N -0.95 -0.33 0.13 6.12 0.00 -0.46 -1.41 121.76 124.87 2wn3 s ALA 245 Ca -0.04 -0.17 0.05 0.00 0.00 0.00 0.00 51.96 51.80 2wn3 s ALA 245 Cb -0.08 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 2wn3 s ALA 245 CO 0.01 -0.24 0.07 -0.51 0.00 0.00 0.00 175.76 175.08 2wn3 s ASP 246 N -1.55 5.25 0.17 0.00 1.01 -0.76 -0.87 116.67 119.93 2wn3 s ASP 246 Ca -0.13 -0.17 0.09 0.00 0.71 0.00 0.00 52.55 53.05 2wn3 s ASP 246 Cb -0.06 -1.30 -0.04 0.00 1.01 0.00 0.00 42.92 42.52 2wn3 s ASP 246 CO 0.01 0.12 -0.19 -0.72 0.21 0.00 0.00 175.17 174.59 2wn3 s TYR 247 N -1.57 1.89 -0.10 4.23 1.13 0.23 -2.09 117.35 121.06 2wn3 s TYR 247 Ca 0.29 -0.45 -0.01 0.00 -1.41 0.00 0.00 57.07 55.48 2wn3 s TYR 247 Cb -0.11 -0.94 0.03 0.00 -1.10 0.00 0.00 41.96 39.85 2wn3 s TYR 247 CO 0.21 0.36 -0.01 0.42 -2.51 0.00 0.00 175.55 174.02 2wn3 s ILE 248 N -2.03 0.51 -0.12 -3.49 1.09 -0.30 -1.57 121.20 115.28 2wn3 s ILE 248 Ca 0.17 -0.06 0.03 0.00 -1.10 0.00 0.00 60.65 59.69 2wn3 s ILE 248 Cb -0.06 -0.70 0.00 0.00 -1.06 0.00 0.00 42.46 40.64 2wn3 s ILE 248 CO 0.07 0.20 -0.21 0.00 -0.10 0.00 0.00 174.94 174.90 2wn3 s ALA 249 N 1.91 2.29 -0.03 9.38 0.00 0.05 -0.52 121.76 134.84 2wn3 s ALA 249 Ca 0.04 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 51.00 2wn3 s ALA 249 Cb -0.13 -0.97 0.01 0.00 0.00 0.00 0.00 23.12 22.03 2wn3 s ALA 249 CO -0.06 0.13 -0.07 0.99 0.00 0.00 0.00 175.76 176.75 2wn3 s THR 250 N 0.57 0.69 0.10 0.00 2.01 -0.05 -0.48 115.64 118.48 2wn3 s THR 250 Ca -0.12 -0.27 0.08 0.00 0.31 0.00 0.00 61.69 61.68 2wn3 s THR 250 Cb -0.17 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 2wn3 s THR 250 CO 0.04 0.24 -0.14 0.00 -0.69 0.00 0.00 174.62 174.06 2wn3 s ALA 251 N 0.47 2.82 0.04 7.40 0.00 -0.17 -1.14 121.76 131.18 2wn3 s ALA 251 Ca -0.07 -1.28 0.07 0.00 0.00 0.00 0.00 51.96 50.68 2wn3 s ALA 251 Cb -0.11 -0.79 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 2wn3 s ALA 251 CO 0.01 0.62 -0.16 -0.51 0.00 0.00 0.00 175.76 175.71 2wn3 s LEU 252 N -2.10 2.71 0.00 0.00 1.43 -1.26 -1.30 118.68 118.16 2wn3 s LEU 252 Ca 0.19 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 2wn3 s LEU 252 Cb -0.11 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.53 2wn3 s LEU 252 CO 0.11 0.25 0.00 -0.62 0.23 0.00 0.00 176.35 176.33