#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wn3 h SER 2 N 0.00 0.00 -0.26 7.83 4.64 -2.07 -2.74 113.55 120.95 2wn3 h SER 2 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wn3 h SER 2 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2wn3 h SER 2 CO 0.00 0.20 0.00 0.35 -0.87 0.00 0.00 176.83 176.51 2wn3 n THR 3 N -4.19 1.75 -1.67 2.95 -2.24 -1.26 -5.03 114.28 104.59 2wn3 n THR 3 Ca -0.02 -1.55 -0.44 0.00 -2.27 0.00 0.00 64.05 59.76 2wn3 n THR 3 Cb 0.27 0.05 -0.02 0.00 -2.10 0.00 0.00 70.33 68.52 2wn3 n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wn3 n GLN 4 N -0.21 2.05 -0.11 -0.78 10.64 -1.03 -2.07 117.38 125.86 2wn3 n GLN 4 Ca 0.17 0.73 0.00 0.00 -1.83 0.00 0.00 57.00 56.06 2wn3 n GLN 4 Cb 0.68 -2.37 0.00 0.00 -0.86 0.00 0.00 30.24 27.70 2wn3 n GLN 4 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2wn3 n GLY 5 N 1.90 1.88 3.91 2.61 0.00 -1.26 -5.03 105.19 109.21 2wn3 n GLY 5 Ca 0.10 0.00 -0.28 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 4.11 -0.12 0.99 1.43 -0.88 -4.54 118.68 119.67 2wn3 s LEU 6 Ca 0.00 0.60 -0.26 0.00 -1.03 0.00 0.00 54.13 53.44 2wn3 s LEU 6 Cb 0.00 -3.40 -0.02 0.00 0.03 0.00 0.00 46.19 42.80 2wn3 s LEU 6 CO 0.00 -0.15 0.85 -0.69 0.23 0.00 0.00 176.35 176.60 2wn3 s VAL 7 N -2.02 4.89 -0.62 -1.59 1.01 0.11 -4.87 120.40 117.31 2wn3 s VAL 7 Ca 0.42 1.71 -0.24 0.00 0.00 0.00 0.00 61.98 63.87 2wn3 s VAL 7 Cb -0.11 -4.17 0.05 0.00 0.00 0.00 0.00 36.38 32.16 2wn3 s VAL 7 CO 0.30 0.07 1.00 -1.10 0.00 0.00 0.00 175.10 175.37 2wn3 s GLN 8 N 1.79 3.22 0.04 2.72 -0.21 -1.26 -1.39 119.66 124.57 2wn3 s GLN 8 Ca 0.41 -0.49 -0.25 0.00 0.02 0.00 0.00 55.36 55.06 2wn3 s GLN 8 Cb -0.17 -4.14 -0.17 0.00 1.00 0.00 0.00 33.01 29.52 2wn3 s GLN 8 CO 0.16 -1.71 1.53 -0.07 -2.12 0.00 0.00 175.29 173.08 2wn3 h LEU 9 N 11.41 -0.05 -0.33 2.90 3.38 -1.65 -1.91 115.31 129.07 2wn3 h LEU 9 Ca -0.27 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.42 2wn3 h LEU 9 Cb 1.07 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2wn3 h LEU 9 CO 1.15 0.16 -0.14 -0.07 0.09 0.00 0.00 178.44 179.63 2wn3 h LEU 10 N -0.26 0.69 -0.99 1.67 4.07 -1.91 -1.01 115.31 117.57 2wn3 h LEU 10 Ca -0.01 -0.40 0.08 0.00 0.08 0.00 0.00 57.88 57.63 2wn3 h LEU 10 Cb 0.23 -0.19 -0.07 0.00 1.08 0.00 0.00 40.66 41.71 2wn3 h LEU 10 CO 0.01 0.94 0.64 0.00 -1.08 0.00 0.00 178.44 178.94 2wn3 h ALA 11 N 0.78 1.41 -0.09 1.53 0.00 -1.92 -1.39 119.26 119.58 2wn3 h ALA 11 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2wn3 h ALA 11 Cb 0.67 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2wn3 h ALA 11 CO 0.04 0.38 0.00 0.09 0.00 0.00 0.00 179.25 179.76 2wn3 n ASN 12 N -4.54 0.82 -3.64 0.00 3.02 -0.72 -4.93 115.26 105.27 2wn3 n ASN 12 Ca 0.16 -1.60 -0.27 0.00 -0.03 0.00 0.00 54.58 52.84 2wn3 n ASN 12 Cb 0.22 -0.06 0.04 0.00 -0.61 0.00 0.00 39.78 39.38 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 -0.22 -1.22 1.36 5.41 0.00 -0.52 -4.89 120.51 120.43 2wn3 n ALA 13 Ca 0.14 0.26 0.13 0.00 0.00 0.00 0.00 53.44 53.97 2wn3 n ALA 13 Cb 0.19 -4.53 0.46 0.00 0.00 0.00 0.00 19.45 15.57 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 -4.58 1.12 -4.15 0.00 1.13 -0.44 -4.92 117.38 105.54 2wn3 n GLN 14 Ca 0.01 -0.63 -0.13 0.00 -1.94 0.00 0.00 57.00 54.31 2wn3 n GLN 14 Cb 0.55 -1.49 -0.11 0.00 0.11 0.00 0.00 30.24 29.31 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 -2.71 3.72 -0.18 0.00 2.46 -0.56 -4.85 115.29 113.17 2wn3 s HIS 16 Ca 0.05 1.45 -0.01 0.00 0.47 0.00 0.00 55.06 57.02 2wn3 s HIS 16 Cb -0.01 -2.65 0.01 0.00 -0.13 0.00 0.00 32.58 29.79 2wn3 s HIS 16 CO -0.02 0.39 -0.14 -0.51 -2.47 0.00 0.00 174.74 171.99 2wn3 s LEU 17 N -1.72 2.45 -0.07 8.88 1.43 -1.26 -0.96 118.68 127.43 2wn3 s LEU 17 Ca 0.40 -0.52 0.04 0.00 -1.03 0.00 0.00 54.13 53.02 2wn3 s LEU 17 Cb -0.18 -1.58 -0.02 0.00 0.03 0.00 0.00 46.19 44.44 2wn3 s LEU 17 CO 0.22 0.02 -0.19 -0.60 0.23 0.00 0.00 176.35 176.03 2wn3 s ARG 18 N 1.21 2.69 0.24 1.70 3.52 -0.32 -4.98 118.95 123.01 2wn3 s ARG 18 Ca 0.02 -0.79 0.10 0.00 -0.13 0.00 0.00 55.73 54.94 2wn3 s ARG 18 Cb -0.14 -2.33 -0.04 0.00 -1.56 0.00 0.00 34.95 30.87 2wn3 s ARG 18 CO -0.07 0.44 -0.10 0.95 -0.81 0.00 0.00 175.30 175.72 2wn3 s THR 19 N -0.28 3.05 0.02 4.11 -4.23 -1.26 -0.22 115.64 116.82 2wn3 s THR 19 Ca 0.01 -1.97 -0.26 0.00 -1.18 0.00 0.00 61.69 58.29 2wn3 s THR 19 Cb -0.13 -2.58 -0.17 0.00 1.34 0.00 0.00 72.50 70.96 2wn3 s THR 19 CO 0.03 -0.29 1.34 0.77 -0.54 0.00 0.00 174.62 175.94 2wn3 h SER 20 N 2.38 -0.28 -5.14 3.99 4.64 -1.53 -3.47 113.55 114.14 2wn3 h SER 20 Ca -0.44 -0.18 -0.08 0.00 -0.47 0.00 0.00 61.79 60.62 2wn3 h SER 20 Cb 1.24 0.07 -0.14 0.00 -0.31 0.00 0.00 62.40 63.26 2wn3 h SER 20 CO 0.57 0.04 -0.30 0.42 -0.87 0.00 0.00 176.83 176.70 2wn3 s THR 21 N -4.93 0.12 -0.05 2.95 -4.23 -1.26 -5.03 115.64 103.21 2wn3 s THR 21 Ca -0.15 -1.05 0.03 0.00 -1.18 0.00 0.00 61.69 59.34 2wn3 s THR 21 Cb 0.03 -1.32 0.01 0.00 1.34 0.00 0.00 72.50 72.55 2wn3 s THR 21 CO 0.59 -0.56 -0.14 0.20 -0.54 0.00 0.00 174.62 174.16 2wn3 s ASN 22 N -2.85 1.89 0.19 3.99 0.01 -1.26 -4.03 114.94 112.88 2wn3 s ASN 22 Ca 0.05 -0.31 -0.12 0.00 -0.71 0.00 0.00 52.86 51.77 2wn3 s ASN 22 Cb 0.04 -0.70 0.22 0.00 0.41 0.00 0.00 41.25 41.22 2wn3 s ASN 22 CO -0.11 0.09 1.71 0.22 -1.51 0.00 0.00 177.10 177.50 2wn3 h TYR 23 N 6.62 0.17 -1.82 2.20 3.20 -0.97 -3.38 116.97 123.00 2wn3 h TYR 23 Ca -0.31 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.59 2wn3 h TYR 23 Cb 1.18 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.46 2wn3 h TYR 23 CO 0.46 -0.01 0.00 0.27 -1.64 0.00 0.00 178.16 177.24 2wn3 n ASN 24 N -5.12 0.00 0.00 -2.11 0.23 -1.26 -4.83 115.26 102.17 2wn3 n ASN 24 Ca 0.07 -0.90 0.09 0.00 -0.53 0.00 0.00 54.58 53.30 2wn3 n ASN 24 Cb 0.27 0.00 0.44 0.00 -2.08 0.00 0.00 39.78 38.41 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 -0.92 0.54 4.83 0.00 -1.26 -2.09 105.19 106.29 2wn3 n GLY 25 Ca 0.00 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.32 2.15 -1.95 1.61 0.24 -1.26 -4.54 118.33 113.26 2wn3 n VAL 26 Ca 0.08 -2.36 0.05 0.00 -2.04 0.00 0.00 64.34 60.07 2wn3 n VAL 26 Cb 0.15 -0.26 0.11 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 -1.08 0.00 -2.52 6.34 8.25 -0.89 -1.95 115.22 123.37 2wn3 n HIS 27 Ca 0.20 -0.94 -0.25 0.00 -0.26 0.00 0.00 57.72 56.48 2wn3 n HIS 27 Cb 0.78 -0.19 0.13 0.00 1.12 0.00 0.00 29.99 31.84 2wn3 n HIS 27 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2wn3 s THR 28 N -1.66 2.02 -0.91 1.59 -4.23 -1.25 -1.39 115.64 109.81 2wn3 s THR 28 Ca 0.33 -0.53 0.06 0.00 -1.18 0.00 0.00 61.69 60.37 2wn3 s THR 28 Cb 0.34 -2.49 0.05 0.00 1.34 0.00 0.00 72.50 71.74 2wn3 s THR 28 CO -0.10 0.00 1.18 0.00 -0.54 0.00 0.00 174.62 175.16 2wn3 n GLN 29 N -3.03 0.02 0.29 3.99 0.00 -1.26 -1.16 117.38 116.22 2wn3 n GLN 29 Ca 0.17 0.46 0.16 0.00 0.00 0.00 0.00 57.00 57.78 2wn3 n GLN 29 Cb 0.61 -1.55 0.88 0.00 0.00 0.00 0.00 30.24 30.17 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 -0.59 2.61 0.04 -1.95 -2.69 116.94 114.36 2wn3 h PHE 30 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2wn3 h PHE 30 Cb 0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.21 2wn3 h PHE 30 CO 0.00 0.05 0.00 0.09 -0.60 0.00 0.00 178.31 177.85 2wn3 n ASN 31 N -3.57 5.11 0.01 2.17 3.02 -0.31 -4.68 115.26 117.01 2wn3 n ASN 31 Ca -0.02 -2.67 0.11 0.00 -0.03 0.00 0.00 54.58 51.96 2wn3 n ASN 31 Cb 0.16 -0.63 -0.03 0.00 -0.61 0.00 0.00 39.78 38.67 2wn3 n ASN 31 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2wn3 n SER 32 N 0.84 0.62 -4.76 6.41 3.41 -1.02 -2.92 113.62 116.20 2wn3 n SER 32 Ca 0.26 -0.39 -0.39 0.00 -0.26 0.00 0.00 58.87 58.09 2wn3 n SER 32 Cb 1.02 1.00 0.01 0.00 -0.26 0.00 0.00 64.21 65.98 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 -3.18 3.13 0.25 7.33 0.00 -1.26 -1.00 121.76 127.03 2wn3 s ALA 33 Ca 0.03 1.23 -0.30 0.00 0.00 0.00 0.00 51.96 52.92 2wn3 s ALA 33 Cb 0.15 -3.50 -0.14 0.00 0.00 0.00 0.00 23.12 19.63 2wn3 s ALA 33 CO 0.83 -0.94 1.23 -0.11 0.00 0.00 0.00 175.76 176.78 2wn3 n LEU 34 N -0.21 2.45 -0.17 0.00 7.94 -0.66 -1.18 117.00 125.17 2wn3 n LEU 34 Ca 0.06 1.16 -0.02 0.00 -1.11 0.00 0.00 56.01 56.09 2wn3 n LEU 34 Cb 0.44 -1.35 -0.01 0.00 0.53 0.00 0.00 43.42 43.03 2wn3 n LEU 34 CO 0.54 -0.92 -0.02 0.59 -1.11 0.00 0.00 177.39 176.47 2wn3 n ASN 35 N 1.69 -4.86 -4.69 1.96 3.02 -1.26 -4.96 115.26 106.15 2wn3 n ASN 35 Ca 0.11 0.06 -0.44 0.00 -0.03 0.00 0.00 54.58 54.27 2wn3 n ASN 35 Cb 0.31 -2.56 -0.03 0.00 -0.61 0.00 0.00 39.78 36.88 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 -2.41 2.46 -4.12 3.10 4.19 -0.32 -4.99 117.16 115.08 2wn3 n TYR 36 Ca -0.02 0.21 -0.15 0.00 3.31 0.00 0.00 57.90 61.25 2wn3 n TYR 36 Cb 0.34 -2.58 -0.13 0.00 0.49 0.00 0.00 39.34 37.45 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 0.76 0.45 0.00 2.98 1.02 -1.26 -4.82 119.74 118.87 2wn3 s LYS 37 Ca 0.75 -0.37 0.00 0.00 0.02 0.00 0.00 55.97 56.38 2wn3 s LYS 37 Cb -0.61 -0.36 0.00 0.00 -0.52 0.00 0.00 37.83 36.35 2wn3 s LYS 37 CO 0.38 0.09 0.00 0.27 -0.92 0.00 0.00 175.35 175.17 2wn3 n ASN 38 N 2.47 0.95 -4.52 2.83 0.23 -1.26 -5.07 115.26 110.89 2wn3 n ASN 38 Ca -0.16 0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.46 2wn3 n ASN 38 Cb 0.57 0.00 -0.04 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 6.31 0.00 0.53 3.84 -1.26 -4.87 114.94 120.48 2wn3 s ASN 39 Ca 0.00 -0.41 0.21 0.00 0.21 0.00 0.00 52.86 52.87 2wn3 s ASN 39 Cb 0.00 -2.46 0.96 0.00 -0.55 0.00 0.00 41.25 39.20 2wn3 s ASN 39 CO 0.00 -1.36 1.67 0.61 -2.79 0.00 0.00 177.10 175.23 2wn3 n GLY 40 N 5.17 -1.12 0.26 1.21 0.00 -1.26 -3.10 105.19 106.35 2wn3 n GLY 40 Ca 0.02 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.41 0.00 -4.08 2.61 -2.24 -1.26 -4.86 114.28 103.03 2wn3 n THR 41 Ca 0.07 -0.13 -0.24 0.00 -2.27 0.00 0.00 64.05 61.48 2wn3 n THR 41 Cb 0.21 0.84 -0.17 0.00 -2.10 0.00 0.00 70.33 69.11 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 -2.67 1.68 0.48 3.42 3.84 -1.18 -5.02 114.94 115.48 2wn3 s ASN 42 Ca 0.17 -0.22 0.29 0.00 0.21 0.00 0.00 52.86 53.31 2wn3 s ASN 42 Cb 0.18 -0.66 0.91 0.00 -0.55 0.00 0.00 41.25 41.13 2wn3 s ASN 42 CO 0.64 -0.09 1.81 0.71 -2.79 0.00 0.00 177.10 177.38 2wn3 h THR 43 N 6.15 0.00 0.00 -5.21 1.35 -1.89 -3.35 112.91 109.96 2wn3 h THR 43 Ca -0.30 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 2wn3 h THR 43 Cb 1.15 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 2wn3 h THR 43 CO 0.41 0.00 0.00 0.16 -0.25 0.00 0.00 175.52 175.84 2wn3 h ILE 44 N 0.00 0.00 -0.09 6.82 3.07 -1.95 -2.56 117.51 122.79 2wn3 h ILE 44 Ca 0.00 -0.59 0.00 0.00 1.55 0.00 0.00 64.86 65.82 2wn3 h ILE 44 Cb 0.71 1.58 0.00 0.00 -0.27 0.00 0.00 36.82 38.84 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 -3.07 1.14 0.00 2.16 5.75 -1.26 -4.91 116.55 116.36 2wn3 n ASP 45 Ca 0.01 -1.57 0.00 0.00 -0.01 0.00 0.00 54.79 53.23 2wn3 n ASP 45 Cb 0.34 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 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 1.05 -0.33 3.89 6.12 0.00 -0.97 -4.85 105.19 110.09 2wn3 n GLY 46 Ca 0.16 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.67 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 6.53 -1.32 1.61 1.04 -0.82 -4.96 113.70 111.77 2wn3 s SER 47 Ca 0.00 0.85 -0.07 0.00 0.48 0.00 0.00 55.95 57.21 2wn3 s SER 47 Cb 0.00 -2.20 0.13 0.00 0.10 0.00 0.00 66.02 64.05 2wn3 s SER 47 CO 0.00 -0.17 2.24 -0.62 0.98 0.00 0.00 173.24 175.67 2wn3 n GLU 48 N -0.64 4.28 0.00 4.02 1.02 -1.26 -4.82 120.64 123.24 2wn3 n GLU 48 Ca -0.00 -3.46 0.00 0.00 -0.02 0.00 0.00 57.16 53.68 2wn3 n GLU 48 Cb 0.53 -2.72 0.00 0.00 -0.02 0.00 0.00 31.44 29.23 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 2.42 0.00 -2.55 0.62 0.00 -1.15 -1.82 120.51 118.03 2wn3 n ALA 49 Ca 0.56 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.58 2wn3 n ALA 49 Cb 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.70 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 3.69 -0.04 0.00 -0.00 -0.31 -4.46 118.94 115.81 2wn3 s TRP 50 Ca 0.00 1.70 0.03 0.00 -0.00 0.00 0.00 56.10 57.84 2wn3 s TRP 50 Cb 0.00 -3.12 0.00 0.00 -0.00 0.00 0.00 33.47 30.35 2wn3 s TRP 50 CO 0.00 -0.04 -0.14 0.00 -0.00 0.00 0.00 176.95 176.76 2wn3 s SER 52 N 0.21 3.86 -0.19 0.00 1.04 -0.74 -0.76 113.70 117.11 2wn3 s SER 52 Ca -0.06 1.43 0.08 0.00 0.48 0.00 0.00 55.95 57.88 2wn3 s SER 52 Cb -0.12 -2.13 -0.22 0.00 0.10 0.00 0.00 66.02 63.65 2wn3 s SER 52 CO 0.02 -2.39 0.09 -1.54 0.98 0.00 0.00 173.24 170.40 2wn3 n SER 53 N -3.71 1.10 -4.79 7.02 3.41 -1.26 -3.42 113.62 111.97 2wn3 n SER 53 Ca 0.07 0.04 -0.37 0.00 -0.26 0.00 0.00 58.87 58.35 2wn3 n SER 53 Cb 0.56 0.11 -0.06 0.00 -0.26 0.00 0.00 64.21 64.55 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 -2.52 5.24 -0.50 -1.33 1.01 -1.26 -4.94 121.20 116.89 2wn3 s ILE 54 Ca -0.20 0.62 -0.06 0.00 0.00 0.00 0.00 60.65 61.01 2wn3 s ILE 54 Cb 0.07 -3.63 0.13 0.00 0.01 0.00 0.00 42.46 39.04 2wn3 s ILE 54 CO 0.74 0.49 0.35 -0.69 0.00 0.00 0.00 174.94 175.82 2wn3 s VAL 55 N -0.28 3.94 0.26 2.92 1.01 -1.26 -4.89 120.40 122.09 2wn3 s VAL 55 Ca 0.19 -2.13 -0.08 0.00 0.00 0.00 0.00 61.98 59.97 2wn3 s VAL 55 Cb -0.14 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.67 2wn3 s VAL 55 CO 0.07 -0.79 0.48 -0.90 0.00 0.00 0.00 175.10 173.97 2wn3 n ASP 56 N 4.50 -1.40 -1.11 3.32 5.68 -1.26 -5.04 116.55 121.24 2wn3 n ASP 56 Ca -0.02 -2.11 0.04 0.00 -0.50 0.00 0.00 54.79 52.20 2wn3 n ASP 56 Cb 0.41 2.37 0.20 0.00 -1.14 0.00 0.00 41.12 42.95 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 -0.36 1.23 -0.16 2.12 -2.24 -1.26 -3.97 114.28 109.63 2wn3 n THR 57 Ca -0.05 -0.66 0.06 0.00 -2.27 0.00 0.00 64.05 61.13 2wn3 n THR 57 Cb 0.39 -0.29 0.16 0.00 -2.10 0.00 0.00 70.33 68.49 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 0.35 2.93 -4.91 3.42 3.02 -1.26 -4.88 115.26 113.93 2wn3 n ASN 58 Ca 0.14 -1.98 -0.27 0.00 -0.03 0.00 0.00 54.58 52.44 2wn3 n ASN 58 Cb 0.66 -0.23 -0.00 0.00 -0.61 0.00 0.00 39.78 39.59 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 3.50 0.00 3.52 -1.52 -1.25 -4.99 119.66 117.92 2wn3 s GLN 59 Ca 0.24 0.09 -0.28 0.00 -1.95 0.00 0.00 55.36 53.45 2wn3 s GLN 59 Cb 0.12 -2.42 0.10 0.00 -0.22 0.00 0.00 33.01 30.59 2wn3 s GLN 59 CO 0.16 -0.17 0.86 1.52 -0.25 0.00 0.00 175.29 177.42 2wn3 s TYR 60 N -2.68 -0.37 -0.11 0.91 -0.85 -1.26 -3.80 117.35 109.18 2wn3 s TYR 60 Ca 0.46 0.27 0.02 0.00 -0.52 0.00 0.00 57.07 57.30 2wn3 s TYR 60 Cb -0.10 0.53 0.01 0.00 0.38 0.00 0.00 41.96 42.78 2wn3 s TYR 60 CO 0.43 -0.57 -0.18 -1.50 -1.52 0.00 0.00 175.55 172.21 2wn3 s ILE 61 N -3.03 1.72 -0.16 -3.49 2.07 -0.90 -1.17 121.20 116.24 2wn3 s ILE 61 Ca 0.04 -0.79 -0.05 0.00 -1.41 0.00 0.00 60.65 58.44 2wn3 s ILE 61 Cb -0.01 -1.54 -0.03 0.00 0.13 0.00 0.00 42.46 41.01 2wn3 s ILE 61 CO -0.08 0.49 -0.01 -0.69 -1.91 0.00 0.00 174.94 172.74 2wn3 s VAL 62 N 0.82 4.18 -0.19 4.00 1.01 0.69 -1.32 120.40 129.60 2wn3 s VAL 62 Ca -0.09 -0.25 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 2wn3 s VAL 62 Cb -0.16 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 2wn3 s VAL 62 CO 0.00 0.48 0.03 0.00 0.00 0.00 0.00 175.10 175.61 2wn3 s ALA 63 N 0.35 3.19 -0.12 5.51 0.00 0.52 -1.18 121.76 130.03 2wn3 s ALA 63 Ca -0.02 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.08 2wn3 s ALA 63 Cb -0.14 -1.83 -0.01 0.00 0.00 0.00 0.00 23.12 21.15 2wn3 s ALA 63 CO 0.02 -0.00 -0.19 0.20 0.00 0.00 0.00 175.76 175.79 2wn3 s GLY 64 N 0.72 1.42 -0.06 0.00 0.00 -0.13 -1.09 107.32 108.18 2wn3 s GLY 64 Ca 0.01 -0.95 0.05 0.00 0.00 0.00 0.00 44.72 43.83 2wn3 s GLY 64 CO 0.02 -0.24 -0.20 0.00 0.00 0.00 0.00 173.10 172.67 2wn3 h GLU 66 N 5.95 0.00 -5.12 0.00 5.08 -1.88 -3.40 114.58 115.21 2wn3 h GLU 66 Ca -0.35 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.39 2wn3 h GLU 66 Cb 1.17 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.28 2wn3 h GLU 66 CO 0.49 0.47 -0.51 0.08 -1.00 0.00 0.00 179.01 178.53 2wn3 s VAL 67 N -3.20 5.26 0.43 3.13 1.01 -1.26 -5.03 120.40 120.74 2wn3 s VAL 67 Ca 0.02 0.14 -0.26 0.00 0.00 0.00 0.00 61.98 61.89 2wn3 s VAL 67 Cb 0.09 -3.44 -0.09 0.00 0.00 0.00 0.00 36.38 32.94 2wn3 s VAL 67 CO 0.72 0.37 1.45 -2.84 0.00 0.00 0.00 175.10 174.80 2wn3 s PRO 68 N 0.92 3.81 0.16 2.72 0.02 -1.26 -4.82 135.00 136.54 2wn3 s PRO 68 Ca 0.07 2.48 0.08 0.00 0.02 0.00 0.00 61.00 63.64 2wn3 s PRO 68 Cb -0.13 -2.75 -0.04 0.00 0.02 0.00 0.00 34.50 31.60 2wn3 s PRO 68 CO 0.03 -0.74 -0.16 1.03 -0.33 0.00 0.00 177.00 176.83 2wn3 s ARG 69 N -2.35 1.22 -0.44 5.54 1.81 -0.28 -4.96 118.95 119.49 2wn3 s ARG 69 Ca 0.59 -1.40 -0.14 0.00 -1.72 0.00 0.00 55.73 53.06 2wn3 s ARG 69 Cb -0.45 -1.18 0.06 0.00 -0.45 0.00 0.00 34.95 32.93 2wn3 s ARG 69 CO 0.59 0.23 0.34 0.99 -0.68 0.00 0.00 175.30 176.76 2wn3 s THR 70 N -2.25 4.98 -0.29 0.02 2.01 -1.26 -1.19 115.64 117.66 2wn3 s THR 70 Ca 0.15 -1.05 -0.27 0.00 0.31 0.00 0.00 61.69 60.84 2wn3 s THR 70 Cb -0.05 -3.94 0.01 0.00 0.01 0.00 0.00 72.50 68.54 2wn3 s THR 70 CO 0.06 -0.49 0.95 -0.36 -0.69 0.00 0.00 174.62 174.09 2wn3 s PHE 71 N 1.60 3.23 -0.13 4.92 0.40 0.93 -1.32 117.98 127.61 2wn3 s PHE 71 Ca 0.04 1.13 -0.04 0.00 -0.60 0.00 0.00 56.93 57.46 2wn3 s PHE 71 Cb -0.23 -3.38 -0.25 0.00 0.51 0.00 0.00 43.02 39.67 2wn3 s PHE 71 CO 0.06 -0.60 0.34 -1.33 0.70 0.00 0.00 175.22 174.39 2wn3 n MET 72 N 6.45 0.74 -3.66 0.44 2.81 0.18 -1.38 117.12 122.69 2wn3 n MET 72 Ca 0.09 0.25 -0.15 0.00 -1.81 0.00 0.00 57.70 56.08 2wn3 n MET 72 Cb 0.47 -1.70 -0.08 0.00 -0.71 0.00 0.00 33.22 31.20 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 -0.60 1.91 -0.14 0.00 0.11 -0.18 -1.25 120.40 120.25 2wn3 s VAL 74 Ca -0.07 -0.96 -0.03 0.00 -2.93 0.00 0.00 61.98 58.00 2wn3 s VAL 74 Cb -0.03 -1.63 -0.03 0.00 -1.53 0.00 0.00 36.38 33.16 2wn3 s VAL 74 CO 0.04 0.53 -0.05 0.00 -3.33 0.00 0.00 175.10 172.29 2wn3 s ALA 75 N 0.12 2.98 0.11 1.54 0.00 0.36 0.02 121.76 126.88 2wn3 s ALA 75 Ca -0.11 -0.83 0.07 0.00 0.00 0.00 0.00 51.96 51.10 2wn3 s ALA 75 Cb -0.15 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.46 2wn3 s ALA 75 CO 0.06 0.29 -0.12 -1.17 0.00 0.00 0.00 175.76 174.82 2wn3 s LEU 76 N 0.11 2.97 0.01 0.00 2.96 -0.75 -1.49 118.68 122.49 2wn3 s LEU 76 Ca -0.01 -0.42 -0.14 0.00 -0.22 0.00 0.00 54.13 53.33 2wn3 s LEU 76 Cb -0.14 -1.78 0.02 0.00 0.50 0.00 0.00 46.19 44.80 2wn3 s LEU 76 CO 0.03 0.18 0.30 -1.58 -1.32 0.00 0.00 176.35 173.96 2wn3 s GLN 77 N -2.19 0.72 0.45 1.98 0.74 -0.15 -1.65 119.66 119.56 2wn3 s GLN 77 Ca 0.21 -0.33 -0.08 0.00 0.05 0.00 0.00 55.36 55.21 2wn3 s GLN 77 Cb -0.11 0.32 0.10 0.00 1.10 0.00 0.00 33.01 34.42 2wn3 s GLN 77 CO 0.13 -0.21 0.59 0.41 -0.55 0.00 0.00 175.29 175.65 2wn3 n GLY 78 N 0.99 -1.41 3.72 2.59 0.00 -0.54 -1.30 105.19 109.25 2wn3 n GLY 78 Ca -0.20 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 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 -4.28 4.61 0.31 1.61 3.52 -0.44 -4.07 118.95 120.21 2wn3 s ARG 79 Ca 0.34 1.51 0.12 0.00 -0.13 0.00 0.00 55.73 57.57 2wn3 s ARG 79 Cb -0.01 -3.39 0.48 0.00 -1.56 0.00 0.00 34.95 30.47 2wn3 s ARG 79 CO 0.24 0.05 1.68 0.78 -0.81 0.00 0.00 175.30 177.23 2wn3 h GLY 80 N 6.08 0.00 -1.02 8.12 0.00 -1.56 -3.35 103.07 111.34 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 -3.85 2.15 -3.53 0.19 5.75 -1.26 -4.98 116.55 111.03 2wn3 n ASP 81 Ca -0.01 -1.58 -0.13 0.00 -0.01 0.00 0.00 54.79 53.06 2wn3 n ASP 81 Cb 0.55 -0.04 -0.04 0.00 -1.03 0.00 0.00 41.12 40.56 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 -0.99 -1.39 -1.43 2.12 0.00 -1.26 -5.05 121.76 113.75 2wn3 s ALA 82 Ca 0.16 0.53 -0.13 0.00 0.00 0.00 0.00 51.96 52.51 2wn3 s ALA 82 Cb 0.10 0.56 -0.01 0.00 0.00 0.00 0.00 23.12 23.78 2wn3 s ALA 82 CO 0.15 -0.60 2.38 -0.25 0.00 0.00 0.00 175.76 177.44 2wn3 n ASP 83 N 0.09 4.98 -4.01 0.00 8.00 -1.26 -4.47 116.55 119.88 2wn3 n ASP 83 Ca -0.18 -2.75 -0.22 0.00 0.71 0.00 0.00 54.79 52.35 2wn3 n ASP 83 Cb 0.62 -1.58 -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 3.09 1.27 0.07 -1.24 -0.21 -1.26 -4.44 119.66 116.94 2wn3 s GLN 84 Ca 0.53 -0.34 -0.27 0.00 0.02 0.00 0.00 55.36 55.30 2wn3 s GLN 84 Cb 0.15 -1.13 0.09 0.00 1.00 0.00 0.00 33.01 33.12 2wn3 s GLN 84 CO -0.07 0.07 0.83 1.67 -2.12 0.00 0.00 175.29 175.67 2wn3 s TRP 85 N 0.45 -0.35 -0.25 0.91 -2.14 -0.80 -1.32 118.94 115.43 2wn3 s TRP 85 Ca -0.08 0.15 -0.10 0.00 2.66 0.00 0.00 56.10 58.73 2wn3 s TRP 85 Cb -0.12 0.57 -0.04 0.00 -3.10 0.00 0.00 33.47 30.77 2wn3 s TRP 85 CO 0.02 -0.69 0.14 0.08 -2.66 0.00 0.00 176.95 173.84 2wn3 s VAL 86 N -3.32 4.99 -0.18 -0.66 1.01 -1.24 -0.44 120.40 120.57 2wn3 s VAL 86 Ca 0.06 0.06 0.21 0.00 0.00 0.00 0.00 61.98 62.31 2wn3 s VAL 86 Cb -0.01 -3.35 -0.09 0.00 0.00 0.00 0.00 36.38 32.93 2wn3 s VAL 86 CO -0.07 0.31 0.87 0.35 0.00 0.00 0.00 175.10 176.56 2wn3 n THR 87 N 4.73 0.64 -3.49 3.92 -2.24 -0.21 -1.44 114.28 116.18 2wn3 n THR 87 Ca -0.15 -0.58 -0.15 0.00 -2.27 0.00 0.00 64.05 60.91 2wn3 n THR 87 Cb 0.52 -0.36 -0.04 0.00 -2.10 0.00 0.00 70.33 68.35 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 -5.29 -0.57 0.20 3.42 1.04 -1.18 -1.13 113.70 110.19 2wn3 s SER 88 Ca -0.03 0.29 -0.17 0.00 0.48 0.00 0.00 55.95 56.53 2wn3 s SER 88 Cb 0.10 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.79 2wn3 s SER 88 CO 0.82 -0.78 0.51 -0.72 0.98 0.00 0.00 173.24 174.05 2wn3 s TYR 89 N -2.53 -0.03 0.30 5.02 1.13 -0.66 -0.95 117.35 119.63 2wn3 s TYR 89 Ca -0.05 -0.32 0.10 0.00 -1.41 0.00 0.00 57.07 55.39 2wn3 s TYR 89 Cb -0.01 0.36 -0.05 0.00 -1.10 0.00 0.00 41.96 41.16 2wn3 s TYR 89 CO -0.02 -0.93 -0.05 -1.59 -2.51 0.00 0.00 175.55 170.45 2wn3 s LYS 90 N -3.90 2.04 -0.07 -3.49 -2.85 -0.25 0.13 119.74 111.35 2wn3 s LYS 90 Ca 0.11 -1.66 0.05 0.00 -1.00 0.00 0.00 55.97 53.47 2wn3 s LYS 90 Cb -0.01 -1.95 -0.01 0.00 -2.06 0.00 0.00 37.83 33.80 2wn3 s LYS 90 CO -0.01 0.25 -0.24 0.42 0.10 0.00 0.00 175.35 175.87 2wn3 s ILE 91 N -2.46 2.09 0.17 3.79 -1.09 -1.26 -0.94 121.20 121.50 2wn3 s ILE 91 Ca 0.33 -1.04 0.09 0.00 -2.23 0.00 0.00 60.65 57.80 2wn3 s ILE 91 Cb -0.03 -1.77 -0.04 0.00 -1.58 0.00 0.00 42.46 39.04 2wn3 s ILE 91 CO 0.18 0.57 -0.19 -0.13 -1.23 0.00 0.00 174.94 174.14 2wn3 s ARG 92 N 0.02 1.33 0.15 2.79 0.52 -0.85 -1.20 118.95 121.69 2wn3 s ARG 92 Ca -0.09 -1.44 -0.18 0.00 -0.52 0.00 0.00 55.73 53.51 2wn3 s ARG 92 Cb -0.15 -1.43 0.04 0.00 0.52 0.00 0.00 34.95 33.92 2wn3 s ARG 92 CO 0.06 0.29 0.46 1.52 0.02 0.00 0.00 175.30 177.65 2wn3 s TYR 93 N -1.99 -0.24 -0.04 -0.53 -0.85 0.06 -0.31 117.35 113.46 2wn3 s TYR 93 Ca 0.17 -0.07 -0.03 0.00 -0.52 0.00 0.00 57.07 56.63 2wn3 s TYR 93 Cb -0.06 0.34 0.02 0.00 0.38 0.00 0.00 41.96 42.64 2wn3 s TYR 93 CO 0.07 -0.78 0.10 0.45 -1.52 0.00 0.00 175.55 173.88 2wn3 s SER 94 N -2.81 -0.08 -0.19 -0.18 0.15 -0.18 -0.51 113.70 109.90 2wn3 s SER 94 Ca 0.04 0.20 -0.18 0.00 0.70 0.00 0.00 55.95 56.71 2wn3 s SER 94 Cb 0.01 0.16 -0.20 0.00 -1.71 0.00 0.00 66.02 64.27 2wn3 s SER 94 CO -0.10 -0.08 0.23 -0.11 1.20 0.00 0.00 173.24 174.38 2wn3 n LEU 95 N 3.49 2.02 -0.45 3.45 7.94 -1.26 -0.50 117.00 131.68 2wn3 n LEU 95 Ca -0.18 0.38 0.13 0.00 -1.11 0.00 0.00 56.01 55.23 2wn3 n LEU 95 Cb 0.56 -1.00 0.35 0.00 0.53 0.00 0.00 43.42 43.86 2wn3 n LEU 95 CO 0.21 0.41 0.68 -0.90 -1.11 0.00 0.00 177.39 176.68 2wn3 n ASP 96 N -4.23 1.58 -1.95 1.96 5.68 -1.26 -4.04 116.55 114.29 2wn3 n ASP 96 Ca -0.33 -1.34 -0.20 0.00 -0.50 0.00 0.00 54.79 52.42 2wn3 n ASP 96 Cb 0.76 0.11 -0.05 0.00 -1.14 0.00 0.00 41.12 40.81 2wn3 n ASP 96 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2wn3 n ASN 97 N -0.01 -5.63 0.02 -1.12 5.03 -1.26 -4.80 115.26 107.48 2wn3 n ASN 97 Ca 0.15 0.24 -0.01 0.00 0.87 0.00 0.00 54.58 55.82 2wn3 n ASN 97 Cb 0.40 -4.79 -0.00 0.00 -1.02 0.00 0.00 39.78 34.37 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 -3.23 0.96 -3.52 2.41 0.31 -1.26 -5.03 118.33 108.97 2wn3 n VAL 98 Ca -0.22 0.27 -0.37 0.00 -0.01 0.00 0.00 64.34 64.01 2wn3 n VAL 98 Cb 0.68 -1.63 -0.07 0.00 -0.91 0.00 0.00 33.84 31.91 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 -5.78 6.44 0.15 4.52 0.01 -1.26 -5.10 113.70 112.67 2wn3 s SER 99 Ca -0.03 0.52 0.05 0.00 1.31 0.00 0.00 55.95 57.80 2wn3 s SER 99 Cb 0.01 -2.19 -0.04 0.00 0.21 0.00 0.00 66.02 64.01 2wn3 s SER 99 CO 0.04 0.08 0.08 0.26 0.41 0.00 0.00 173.24 174.11 2wn3 s TRP 100 N 0.54 3.06 0.06 2.43 0.52 -1.26 -4.32 118.94 119.97 2wn3 s TRP 100 Ca 0.17 -0.03 0.01 0.00 0.02 0.00 0.00 56.10 56.27 2wn3 s TRP 100 Cb -0.13 -1.50 -0.03 0.00 -1.15 0.00 0.00 33.47 30.66 2wn3 s TRP 100 CO 0.04 0.51 -0.06 -0.06 0.02 0.00 0.00 176.95 177.41 2wn3 s PHE 101 N -1.64 0.68 -0.19 -1.98 0.40 0.34 -4.98 117.98 110.60 2wn3 s PHE 101 Ca 0.29 -0.74 -0.05 0.00 -0.60 0.00 0.00 56.93 55.82 2wn3 s PHE 101 Cb -0.10 -0.42 -0.03 0.00 0.51 0.00 0.00 43.02 42.98 2wn3 s PHE 101 CO 0.21 -0.16 0.01 -1.21 0.70 0.00 0.00 175.22 174.77 2wn3 s GLU 102 N -2.76 3.70 0.27 0.44 2.02 -1.26 -0.76 118.70 120.35 2wn3 s GLU 102 Ca 0.00 -0.48 -0.31 0.00 0.02 0.00 0.00 54.97 54.20 2wn3 s GLU 102 Cb -0.02 -3.10 -0.12 0.00 0.10 0.00 0.00 34.13 31.00 2wn3 s GLU 102 CO -0.03 0.09 1.62 0.98 0.02 0.00 0.00 175.26 177.94 2wn3 n TYR 103 N 4.04 2.82 -2.66 1.61 -0.00 -0.34 -2.38 117.16 120.24 2wn3 n TYR 103 Ca -0.17 0.21 -0.20 0.00 -0.00 0.00 0.00 57.90 57.75 2wn3 n TYR 103 Cb 0.52 -2.61 0.00 0.00 -0.00 0.00 0.00 39.34 37.25 2wn3 n TYR 103 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 2wn3 n ARG 104 N 2.55 -2.81 -2.62 2.98 1.74 -1.26 -1.36 116.66 115.87 2wn3 n ARG 104 Ca 0.10 0.84 -0.17 0.00 -0.77 0.00 0.00 57.85 57.86 2wn3 n ARG 104 Cb 0.36 -5.55 -0.00 0.00 -1.02 0.00 0.00 32.46 26.25 2wn3 n ARG 104 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2wn3 n ASN 105 N -2.13 -4.60 0.00 0.55 5.15 -1.00 -1.38 115.26 111.85 2wn3 n ASN 105 Ca -0.17 0.01 0.00 0.00 -0.60 0.00 0.00 54.58 53.82 2wn3 n ASN 105 Cb 0.64 -3.85 0.00 0.00 -0.53 0.00 0.00 39.78 36.04 2wn3 n ASN 105 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wn3 n GLY 106 N -0.99 0.75 3.76 8.20 0.00 -0.46 -5.01 105.19 111.44 2wn3 n GLY 106 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.71 2.46 0.44 4.61 0.00 -0.48 -4.86 121.76 121.22 2wn3 s ALA 107 Ca 0.00 0.76 -0.24 0.00 0.00 0.00 0.00 51.96 52.47 2wn3 s ALA 107 Cb 0.00 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.66 2wn3 s ALA 107 CO 0.00 -1.26 1.24 0.00 0.00 0.00 0.00 175.76 175.74 2wn3 s ALA 108 N -2.01 3.09 -0.06 0.00 0.00 -1.26 -4.66 121.76 116.86 2wn3 s ALA 108 Ca 0.72 1.09 0.02 0.00 0.00 0.00 0.00 51.96 53.79 2wn3 s ALA 108 Cb -0.25 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 2wn3 s ALA 108 CO 0.37 -0.78 -0.11 0.08 0.00 0.00 0.00 175.76 175.32 2wn3 s VAL 109 N -1.39 3.30 0.07 0.00 1.01 0.12 -4.95 120.40 118.57 2wn3 s VAL 109 Ca 0.61 -0.63 -0.31 0.00 0.00 0.00 0.00 61.98 61.65 2wn3 s VAL 109 Cb -0.34 -2.32 -0.07 0.00 0.00 0.00 0.00 36.38 33.65 2wn3 s VAL 109 CO 0.42 0.59 1.36 -0.89 0.00 0.00 0.00 175.10 176.58 2wn3 s THR 110 N -0.65 3.54 0.00 3.92 2.01 -1.26 -1.66 115.64 121.54 2wn3 s THR 110 Ca 0.10 1.07 0.00 0.00 0.31 0.00 0.00 61.69 63.16 2wn3 s THR 110 Cb -0.11 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.71 2wn3 s THR 110 CO 0.01 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 2wn3 n GLY 111 N 3.49 1.44 3.75 4.40 0.00 -0.28 -4.90 105.19 113.09 2wn3 n GLY 111 Ca 0.12 -1.40 -0.24 0.00 0.00 0.00 0.00 46.02 44.50 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 3.26 2.33 -0.01 1.61 -7.23 -0.52 -4.84 120.40 114.99 2wn3 s VAL 112 Ca 0.00 -1.66 0.02 0.00 -1.81 0.00 0.00 61.98 58.53 2wn3 s VAL 112 Cb 0.00 -2.99 0.03 0.00 0.56 0.00 0.00 36.38 33.98 2wn3 s VAL 112 CO 0.00 0.00 0.81 0.35 -0.31 0.00 0.00 175.10 175.95 2wn3 n THR 113 N -1.27 0.52 -3.84 5.32 -2.24 -1.26 -4.24 114.28 107.27 2wn3 n THR 113 Ca -0.01 -0.57 -0.05 0.00 -2.27 0.00 0.00 64.05 61.16 2wn3 n THR 113 Cb 0.64 0.63 0.02 0.00 -2.10 0.00 0.00 70.33 69.52 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 -0.32 -1.90 -0.10 3.42 5.75 -1.26 -5.08 116.55 117.07 2wn3 n ASP 114 Ca 0.02 -2.13 -0.11 0.00 -0.01 0.00 0.00 54.79 52.55 2wn3 n ASP 114 Cb 0.47 3.12 -0.04 0.00 -1.03 0.00 0.00 41.12 43.64 2wn3 n ASP 114 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 2wn3 h ARG 115 N 0.00 0.55 0.00 0.11 3.08 -1.89 -3.32 114.38 112.91 2wn3 h ARG 115 Ca -0.29 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2wn3 h ARG 115 Cb 1.18 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2wn3 h ARG 115 CO 0.38 0.72 -0.60 0.09 -1.07 0.00 0.00 179.97 179.49 2wn3 n ASN 116 N -4.53 2.99 -4.64 7.04 3.02 -1.26 -1.46 115.26 116.42 2wn3 n ASN 116 Ca -0.03 -0.15 -0.43 0.00 -0.03 0.00 0.00 54.58 53.94 2wn3 n ASN 116 Cb 0.29 0.90 -0.02 0.00 -0.61 0.00 0.00 39.78 40.34 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 4.36 0.24 3.41 2.01 -1.26 -4.87 115.64 118.04 2wn3 s THR 117 Ca 0.00 1.57 -0.30 0.00 0.31 0.00 0.00 61.69 63.27 2wn3 s THR 117 Cb 0.00 -4.29 -0.09 0.00 0.01 0.00 0.00 72.50 68.13 2wn3 s THR 117 CO 0.00 -0.45 1.18 -0.69 -0.69 0.00 0.00 174.62 173.97 2wn3 s VAL 118 N 3.88 3.39 -0.25 3.82 1.01 -1.26 -4.74 120.40 126.26 2wn3 s VAL 118 Ca 0.50 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.76 2wn3 s VAL 118 Cb -0.14 -3.82 0.04 0.00 0.00 0.00 0.00 36.38 32.46 2wn3 s VAL 118 CO 0.18 0.26 -0.09 -0.69 0.00 0.00 0.00 175.10 174.76 2wn3 s VAL 119 N -0.63 2.51 -0.02 2.92 1.01 -0.66 -4.99 120.40 120.54 2wn3 s VAL 119 Ca 0.49 -1.27 -0.24 0.00 0.00 0.00 0.00 61.98 60.96 2wn3 s VAL 119 Cb -0.34 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 2wn3 s VAL 119 CO 0.41 0.13 0.72 0.20 0.00 0.00 0.00 175.10 176.56 2wn3 s ASN 120 N 1.23 7.07 -0.29 3.32 0.01 -1.26 -1.81 114.94 123.21 2wn3 s ASN 120 Ca -0.03 1.29 -0.03 0.00 -0.71 0.00 0.00 52.86 53.38 2wn3 s ASN 120 Cb -0.18 -2.43 0.04 0.00 0.41 0.00 0.00 41.25 39.09 2wn3 s ASN 120 CO -0.06 -0.05 0.01 -2.28 -1.51 0.00 0.00 177.10 173.21 2wn3 s HIS 121 N 0.41 3.20 -0.19 2.20 5.65 0.10 -4.99 115.29 121.67 2wn3 s HIS 121 Ca 0.38 -1.61 -0.24 0.00 0.25 0.00 0.00 55.06 53.84 2wn3 s HIS 121 Cb -0.19 -2.14 -0.02 0.00 -1.18 0.00 0.00 32.58 29.06 2wn3 s HIS 121 CO 0.20 -0.75 0.77 -0.06 -0.65 0.00 0.00 174.74 174.25 2wn3 s PHE 122 N 1.33 3.39 0.44 3.88 0.40 -1.26 -1.01 117.98 125.15 2wn3 s PHE 122 Ca -0.02 1.14 -0.26 0.00 -0.60 0.00 0.00 56.93 57.19 2wn3 s PHE 122 Cb -0.19 -2.95 -0.09 0.00 0.51 0.00 0.00 43.02 40.30 2wn3 s PHE 122 CO -0.01 -0.24 1.44 -0.06 0.70 0.00 0.00 175.22 177.06 2wn3 s PHE 123 N 2.15 2.48 0.26 0.36 0.40 -0.89 -4.88 117.98 117.86 2wn3 s PHE 123 Ca 0.35 1.24 -0.02 0.00 -0.60 0.00 0.00 56.93 57.90 2wn3 s PHE 123 Cb -0.16 -3.95 0.53 0.00 0.51 0.00 0.00 43.02 39.95 2wn3 s PHE 123 CO 0.11 -2.97 1.72 -0.44 0.70 0.00 0.00 175.22 174.34 2wn3 h ASP 124 N 2.46 0.27 -4.17 1.36 3.32 -1.95 -3.36 116.42 114.36 2wn3 h ASP 124 Ca -0.51 0.12 -0.50 0.00 0.02 0.00 0.00 57.03 56.17 2wn3 h ASP 124 Cb 1.26 0.11 -0.29 0.00 0.22 0.00 0.00 39.33 40.62 2wn3 h ASP 124 CO 0.62 0.07 -0.82 -0.89 -1.72 0.00 0.00 179.24 176.50 2wn3 s THR 125 N -5.99 1.17 0.51 0.35 2.01 -1.26 -5.13 115.64 107.29 2wn3 s THR 125 Ca -0.12 -0.62 -0.22 0.00 0.31 0.00 0.00 61.69 61.04 2wn3 s THR 125 Cb 0.22 -0.98 -0.07 0.00 0.01 0.00 0.00 72.50 71.68 2wn3 s THR 125 CO 0.77 0.33 1.05 -2.65 -0.69 0.00 0.00 174.62 173.43 2wn3 n PRO 126 N 2.80 1.27 -3.82 4.92 -0.02 -1.26 -4.95 135.00 133.93 2wn3 n PRO 126 Ca -0.15 0.47 -0.36 0.00 -2.02 0.00 0.00 63.50 61.44 2wn3 n PRO 126 Cb 0.55 -2.19 -0.12 0.00 -0.02 0.00 0.00 33.50 31.72 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 -1.37 4.51 -0.33 4.25 1.01 -0.48 -4.89 121.20 123.89 2wn3 s ILE 127 Ca 0.69 -0.11 -0.21 0.00 0.00 0.00 0.00 60.65 61.01 2wn3 s ILE 127 Cb -0.47 -3.09 -0.00 0.00 0.01 0.00 0.00 42.46 38.90 2wn3 s ILE 127 CO 0.52 0.36 0.68 -0.60 0.00 0.00 0.00 174.94 175.91 2wn3 s ARG 128 N 1.30 3.80 0.15 2.79 6.06 -1.26 -0.05 118.95 131.75 2wn3 s ARG 128 Ca 0.05 0.26 -0.20 0.00 -2.50 0.00 0.00 55.73 53.33 2wn3 s ARG 128 Cb -0.15 -3.77 0.05 0.00 0.06 0.00 0.00 34.95 31.15 2wn3 s ARG 128 CO 0.04 -0.70 0.53 0.00 -2.50 0.00 0.00 175.30 172.67 2wn3 s ALA 129 N 2.79 -1.32 -0.24 6.12 0.00 -0.34 -4.48 121.76 124.29 2wn3 s ALA 129 Ca 0.27 0.25 -0.14 0.00 0.00 0.00 0.00 51.96 52.33 2wn3 s ALA 129 Cb -0.14 0.82 -0.16 0.00 0.00 0.00 0.00 23.12 23.64 2wn3 s ALA 129 CO 0.14 -0.73 -0.11 0.54 0.00 0.00 0.00 175.76 175.59 2wn3 n ARG 130 N -0.33 0.60 -4.68 0.00 1.74 0.34 -1.13 116.66 113.21 2wn3 n ARG 130 Ca -0.16 0.35 -0.30 0.00 -0.77 0.00 0.00 57.85 56.98 2wn3 n ARG 130 Cb 0.64 -1.59 -0.14 0.00 -1.02 0.00 0.00 32.46 30.35 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 -7.17 3.32 -0.04 0.55 0.01 -0.61 -0.48 113.70 109.29 2wn3 s SER 131 Ca -0.34 -0.63 -0.06 0.00 1.31 0.00 0.00 55.95 56.23 2wn3 s SER 131 Cb 0.11 -0.31 0.01 0.00 0.21 0.00 0.00 66.02 66.04 2wn3 s SER 131 CO 0.55 0.23 0.16 -0.51 0.41 0.00 0.00 173.24 174.08 2wn3 s ILE 132 N -0.92 0.03 -0.01 1.44 2.07 -0.25 -1.01 121.20 122.56 2wn3 s ILE 132 Ca 0.13 -0.25 0.02 0.00 -1.41 0.00 0.00 60.65 59.14 2wn3 s ILE 132 Cb -0.10 -0.31 -0.00 0.00 0.13 0.00 0.00 42.46 42.18 2wn3 s ILE 132 CO 0.04 -0.14 -0.06 0.00 -1.91 0.00 0.00 174.94 172.87 2wn3 s ALA 133 N -0.45 0.55 -0.24 1.50 0.00 0.58 -0.35 121.76 123.35 2wn3 s ALA 133 Ca -0.05 -0.28 -0.11 0.00 0.00 0.00 0.00 51.96 51.52 2wn3 s ALA 133 Cb -0.04 -0.14 -0.05 0.00 0.00 0.00 0.00 23.12 22.89 2wn3 s ALA 133 CO 0.01 0.13 0.18 0.42 0.00 0.00 0.00 175.76 176.50 2wn3 s ILE 134 N -0.13 5.34 -0.41 0.00 1.01 -0.44 -2.02 121.20 124.56 2wn3 s ILE 134 Ca 0.02 0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.91 2wn3 s ILE 134 Cb -0.03 -3.52 0.11 0.00 0.01 0.00 0.00 42.46 39.03 2wn3 s ILE 134 CO -0.00 0.33 0.16 -1.00 0.00 0.00 0.00 174.94 174.43 2wn3 s HIS 135 N 1.11 3.61 0.28 3.97 3.76 -0.12 -2.12 115.29 125.77 2wn3 s HIS 135 Ca 0.08 -2.83 -0.30 0.00 -0.15 0.00 0.00 55.06 51.86 2wn3 s HIS 135 Cb -0.14 -3.03 -0.13 0.00 1.11 0.00 0.00 32.58 30.40 2wn3 s HIS 135 CO 0.05 -0.92 1.43 -2.30 -0.85 0.00 0.00 174.74 172.15 2wn3 n PRO 136 N 4.14 2.23 -0.04 8.40 -0.02 -1.25 -1.09 135.00 147.37 2wn3 n PRO 136 Ca 0.03 0.79 -0.05 0.00 -2.02 0.00 0.00 63.50 62.25 2wn3 n PRO 136 Cb 0.40 -2.47 -0.05 0.00 -0.02 0.00 0.00 33.50 31.37 2wn3 n PRO 136 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wn3 n LEU 137 N 1.85 1.52 -4.02 2.45 4.77 -0.12 -4.69 117.00 118.76 2wn3 n LEU 137 Ca 0.09 -0.03 -0.08 0.00 -0.03 0.00 0.00 56.01 55.96 2wn3 n LEU 137 Cb 0.34 -0.08 -0.11 0.00 -2.33 0.00 0.00 43.42 41.24 2wn3 n LEU 137 CO 0.63 0.42 -0.36 0.42 -1.33 0.00 0.00 177.39 177.17 2wn3 s THR 138 N -2.18 0.15 0.15 -5.08 -4.23 -1.03 -4.88 115.64 98.53 2wn3 s THR 138 Ca -0.08 -1.22 -0.17 0.00 -1.18 0.00 0.00 61.69 59.04 2wn3 s THR 138 Cb 0.03 -0.69 0.04 0.00 1.34 0.00 0.00 72.50 73.21 2wn3 s THR 138 CO 0.25 -0.67 0.45 -1.66 -0.54 0.00 0.00 174.62 172.45 2wn3 s TRP 139 N -2.30 -0.22 -0.28 3.99 -2.14 -1.26 -1.04 118.94 115.69 2wn3 s TRP 139 Ca -0.08 -0.09 -0.08 0.00 2.66 0.00 0.00 56.10 58.51 2wn3 s TRP 139 Cb -0.04 0.32 -0.02 0.00 -3.10 0.00 0.00 33.47 30.64 2wn3 s TRP 139 CO -0.04 -0.77 0.10 1.21 -2.66 0.00 0.00 176.95 174.79 2wn3 s ASN 140 N -2.82 5.26 0.00 -2.66 2.47 0.42 -4.83 114.94 112.78 2wn3 s ASN 140 Ca 0.04 -0.39 0.00 0.00 0.42 0.00 0.00 52.86 52.93 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 -0.10 -0.11 0.00 0.61 -3.72 0.00 0.00 177.10 173.78 2wn3 n GLY 141 N 4.93 1.77 3.45 1.21 0.00 -1.26 -1.91 105.19 113.38 2wn3 n GLY 141 Ca -0.15 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.49 -0.78 1.61 2.46 -1.26 -5.05 115.29 111.78 2wn3 s HIS 142 Ca 0.00 0.31 -0.26 0.00 0.47 0.00 0.00 55.06 55.58 2wn3 s HIS 142 Cb 0.00 0.55 0.03 0.00 -0.13 0.00 0.00 32.58 33.03 2wn3 s HIS 142 CO 0.00 -0.76 1.40 0.42 -2.47 0.00 0.00 174.74 173.34 2wn3 s ILE 143 N -3.51 3.71 -0.07 0.89 1.01 -1.26 -3.77 121.20 118.20 2wn3 s ILE 143 Ca 0.02 0.14 -0.03 0.00 0.00 0.00 0.00 60.65 60.78 2wn3 s ILE 143 Cb -0.01 -4.80 0.04 0.00 0.01 0.00 0.00 42.46 37.70 2wn3 s ILE 143 CO -0.11 -1.73 0.16 -0.44 0.00 0.00 0.00 174.94 172.81 2wn3 s SER 144 N 4.63 -0.13 0.12 3.58 0.01 -1.26 -1.80 113.70 118.86 2wn3 s SER 144 Ca 0.42 0.32 -0.17 0.00 1.31 0.00 0.00 55.95 57.83 2wn3 s SER 144 Cb -0.07 0.21 0.04 0.00 0.21 0.00 0.00 66.02 66.41 2wn3 s SER 144 CO 0.10 -0.15 0.42 -1.48 0.41 0.00 0.00 173.24 172.55 2wn3 s LEU 145 N 1.18 0.29 0.17 2.44 0.05 -0.18 -3.70 118.68 118.93 2wn3 s LEU 145 Ca -0.09 -0.25 0.11 0.00 0.05 0.00 0.00 54.13 53.95 2wn3 s LEU 145 Cb -0.11 1.91 -0.04 0.00 -2.05 0.00 0.00 46.19 45.90 2wn3 s LEU 145 CO -0.06 -0.85 -0.23 -0.13 -0.55 0.00 0.00 176.35 174.53 2wn3 s ARG 146 N -3.66 1.44 0.21 1.48 0.52 -0.42 -1.16 118.95 117.37 2wn3 s ARG 146 Ca 0.02 -1.46 -0.13 0.00 -0.52 0.00 0.00 55.73 53.63 2wn3 s ARG 146 Cb 0.01 -1.75 0.00 0.00 0.52 0.00 0.00 34.95 33.74 2wn3 s ARG 146 CO -0.11 0.38 0.45 0.00 0.02 0.00 0.00 175.30 176.04 2wn3 s GLU 148 N -3.96 0.58 -0.03 0.00 2.56 -0.55 -1.65 118.70 115.64 2wn3 s GLU 148 Ca 0.17 -0.19 0.05 0.00 0.00 0.00 0.00 54.97 55.01 2wn3 s GLU 148 Cb 0.00 0.25 -0.03 0.00 2.00 0.00 0.00 34.13 36.36 2wn3 s GLU 148 CO 0.04 -0.15 -0.18 -0.06 -0.56 0.00 0.00 175.26 174.35 2wn3 s PHE 149 N -1.18 2.59 -0.17 5.30 0.40 -1.26 -0.49 117.98 123.17 2wn3 s PHE 149 Ca -0.12 -0.24 0.01 0.00 -0.60 0.00 0.00 56.93 55.97 2wn3 s PHE 149 Cb -0.06 -1.57 0.02 0.00 0.51 0.00 0.00 43.02 41.93 2wn3 s PHE 149 CO 0.03 0.15 -0.19 0.71 0.70 0.00 0.00 175.22 176.61 2wn3 s TYR 150 N -0.74 2.69 0.26 0.36 1.51 -0.38 -1.46 117.35 119.59 2wn3 s TYR 150 Ca 0.12 -1.57 0.12 0.00 -1.01 0.00 0.00 57.07 54.73 2wn3 s TYR 150 Cb -0.10 -1.87 -0.05 0.00 -0.11 0.00 0.00 41.96 39.83 2wn3 s TYR 150 CO 0.01 -0.77 -0.21 0.95 -1.11 0.00 0.00 175.55 174.42 2wn3 s THR 151 N 1.26 2.42 0.64 -0.71 -4.23 -0.49 -0.64 115.64 113.89 2wn3 s THR 151 Ca 0.04 -2.32 -0.18 0.00 -1.18 0.00 0.00 61.69 58.05 2wn3 s THR 151 Cb -0.13 -2.25 -0.01 0.00 1.34 0.00 0.00 72.50 71.44 2wn3 s THR 151 CO -0.12 -0.35 1.26 -1.10 -0.54 0.00 0.00 174.62 173.78 2wn3 s GLN 152 N -3.34 2.65 0.49 3.99 -1.52 -0.43 -0.71 119.66 120.80 2wn3 s GLN 152 Ca 0.28 1.97 -0.23 0.00 -1.95 0.00 0.00 55.36 55.43 2wn3 s GLN 152 Cb -0.05 -1.87 -0.07 0.00 -0.22 0.00 0.00 33.01 30.79 2wn3 s GLN 152 CO 0.14 -1.50 1.22 -2.30 -0.25 0.00 0.00 175.29 172.59 2wn3 n PRO 153 N -1.87 1.61 -3.92 2.91 -0.02 -1.26 -4.69 135.00 127.75 2wn3 n PRO 153 Ca 0.15 0.58 -0.29 0.00 -2.02 0.00 0.00 63.50 61.93 2wn3 n PRO 153 Cb 0.49 -2.37 -0.04 0.00 -0.02 0.00 0.00 33.50 31.56 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 -1.29 5.35 0.03 -1.45 -7.23 -1.26 -5.02 120.40 109.53 2wn3 s VAL 154 Ca 0.67 -0.52 0.07 0.00 -1.81 0.00 0.00 61.98 60.39 2wn3 s VAL 154 Cb -0.47 -3.69 -0.03 0.00 0.56 0.00 0.00 36.38 32.76 2wn3 s VAL 154 CO 0.53 0.02 -0.18 -1.10 -0.31 0.00 0.00 175.10 174.07 2wn3 s GLN 155 N -2.87 2.11 -0.12 4.82 -1.52 -1.26 -5.09 119.66 115.72 2wn3 s GLN 155 Ca 0.35 -0.96 0.02 0.00 -1.95 0.00 0.00 55.36 52.82 2wn3 s GLN 155 Cb -0.12 -2.20 0.01 0.00 -0.22 0.00 0.00 33.01 30.48 2wn3 s GLN 155 CO 0.28 0.55 -0.18 0.45 -0.25 0.00 0.00 175.29 176.14 2wn3 s SER 156 N -1.38 2.72 0.18 5.90 0.15 -1.26 -5.02 113.70 114.98 2wn3 s SER 156 Ca 0.14 -0.50 0.09 0.00 0.70 0.00 0.00 55.95 56.38 2wn3 s SER 156 Cb -0.10 -1.23 -0.04 0.00 -1.71 0.00 0.00 66.02 62.93 2wn3 s SER 156 CO 0.05 0.03 -0.09 -0.94 1.20 0.00 0.00 173.24 173.49 2wn3 s SER 157 N 0.96 4.27 -0.07 5.45 1.04 -1.26 -0.23 113.70 123.86 2wn3 s SER 157 Ca -0.06 -0.57 0.02 0.00 0.48 0.00 0.00 55.95 55.82 2wn3 s SER 157 Cb -0.15 -0.73 0.01 0.00 0.10 0.00 0.00 66.02 65.25 2wn3 s SER 157 CO -0.02 0.10 -0.12 -0.69 0.98 0.00 0.00 173.24 173.49 2wn3 s VAL 158 N -1.69 1.14 -0.03 5.02 1.01 -0.13 -4.99 120.40 120.72 2wn3 s VAL 158 Ca 0.25 -0.48 0.06 0.00 0.00 0.00 0.00 61.98 61.81 2wn3 s VAL 158 Cb -0.09 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 2wn3 s VAL 158 CO 0.15 0.36 -0.21 -0.89 0.00 0.00 0.00 175.10 174.51 2wn3 s THR 159 N 0.72 1.66 -0.07 3.92 2.01 -1.26 -0.91 115.64 121.71 2wn3 s THR 159 Ca -0.14 -0.88 0.04 0.00 0.31 0.00 0.00 61.69 61.02 2wn3 s THR 159 Cb -0.16 -1.40 0.00 0.00 0.01 0.00 0.00 72.50 70.96 2wn3 s THR 159 CO 0.03 0.47 -0.19 -1.10 -0.69 0.00 0.00 174.62 173.14 2wn3 s GLN 160 N -0.31 2.36 -0.12 4.92 -0.21 0.20 -4.99 119.66 121.51 2wn3 s GLN 160 Ca 0.03 -0.70 -0.04 0.00 0.02 0.00 0.00 55.36 54.68 2wn3 s GLN 160 Cb -0.10 -1.88 -0.04 0.00 1.00 0.00 0.00 33.01 31.99 2wn3 s GLN 160 CO 0.01 0.17 0.04 0.08 -2.12 0.00 0.00 175.29 173.46 2wn3 s VAL 161 N 0.32 4.62 -0.06 1.09 1.01 -1.26 -0.57 120.40 125.55 2wn3 s VAL 161 Ca -0.13 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 61.75 2wn3 s VAL 161 Cb -0.16 -3.00 0.01 0.00 0.00 0.00 0.00 36.38 33.24 2wn3 s VAL 161 CO 0.06 0.56 -0.13 -0.83 0.00 0.00 0.00 175.10 174.76 2wn3 s GLY 162 N -0.51 0.79 0.00 4.51 0.00 -0.63 -5.01 107.32 106.47 2wn3 s GLY 162 Ca 0.10 -0.45 0.01 0.00 0.00 0.00 0.00 44.72 44.37 2wn3 s GLY 162 CO 0.02 0.02 0.04 0.00 0.00 0.00 0.00 173.10 173.18 2wn3 s ALA 163 N 0.52 3.42 -0.59 3.20 0.00 -1.26 -0.90 121.76 126.15 2wn3 s ALA 163 Ca -0.12 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 50.89 2wn3 s ALA 163 Cb -0.14 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.53 2wn3 s ALA 163 CO 0.03 0.67 0.51 -0.25 0.00 0.00 0.00 175.76 176.72 2wn3 n ASP 164 N 1.26 -3.50 -4.70 0.00 8.00 -1.09 -4.97 116.55 111.55 2wn3 n ASP 164 Ca -0.14 -0.25 -0.42 0.00 0.71 0.00 0.00 54.79 54.69 2wn3 n ASP 164 Cb 0.53 -2.53 -0.03 0.00 -0.02 0.00 0.00 41.12 39.07 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 3.97 -0.00 0.53 -1.09 0.09 -4.85 121.20 116.71 2wn3 s ILE 165 Ca 0.20 1.38 0.03 0.00 -2.23 0.00 0.00 60.65 60.02 2wn3 s ILE 165 Cb -0.09 -3.88 -0.01 0.00 -1.58 0.00 0.00 42.46 36.90 2wn3 s ILE 165 CO 0.33 0.05 -0.08 -0.47 -1.23 0.00 0.00 174.94 173.54 2wn3 s TYR 166 N 1.66 0.74 0.28 3.97 5.04 -1.26 -1.10 117.35 126.68 2wn3 s TYR 166 Ca 0.59 -0.15 0.21 0.00 -2.44 0.00 0.00 57.07 55.28 2wn3 s TYR 166 Cb -0.29 -0.48 0.95 0.00 0.35 0.00 0.00 41.96 42.49 2wn3 s TYR 166 CO 0.27 -0.01 1.86 1.79 -1.34 0.00 0.00 175.55 178.12 2wn3 h THR 167 N 4.92 0.83 0.00 4.34 1.35 -1.66 -3.49 112.91 119.20 2wn3 h THR 167 Ca -0.30 -1.12 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 2wn3 h THR 167 Cb 1.18 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 2wn3 h THR 167 CO 0.49 0.27 0.00 0.61 -0.25 0.00 0.00 175.52 176.65 2wn3 n GLY 168 N -0.20 1.36 3.76 5.82 0.00 -1.26 -4.80 105.19 109.87 2wn3 n GLY 168 Ca -0.01 -1.73 -0.38 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.58 5.90 -1.33 1.61 1.01 -1.26 -3.76 116.67 118.27 2wn3 s ASP 169 Ca 0.00 2.54 -0.06 0.00 0.71 0.00 0.00 52.55 55.74 2wn3 s ASP 169 Cb 0.00 -2.62 -0.00 0.00 1.01 0.00 0.00 42.92 41.31 2wn3 s ASP 169 CO 0.00 -1.12 0.54 -3.20 0.21 0.00 0.00 175.17 171.60 2wn3 n ASN 170 N -0.53 -1.66 -4.28 0.27 5.15 -0.66 -4.94 115.26 108.61 2wn3 n ASN 170 Ca 0.07 -0.99 -0.30 0.00 -0.60 0.00 0.00 54.58 52.77 2wn3 n ASN 170 Cb 0.46 -3.22 0.18 0.00 -0.53 0.00 0.00 39.78 36.67 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 -1.84 1.00 0.00 0.00 0.00 -1.89 0.76 119.26 117.29 2wn3 h ALA 172 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2wn3 h ALA 172 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2wn3 h ALA 172 CO 0.46 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.99 2wn3 n LEU 173 N -2.94 0.00 -0.70 0.00 4.77 -1.26 -3.02 117.00 113.85 2wn3 n LEU 173 Ca -0.01 0.39 0.08 0.00 -0.03 0.00 0.00 56.01 56.44 2wn3 n LEU 173 Cb 0.17 -0.39 0.24 0.00 -2.33 0.00 0.00 43.42 41.10 2wn3 n LEU 173 CO 0.22 -0.24 0.69 -3.20 -1.33 0.00 0.00 177.39 173.53 2wn3 n ASN 174 N -1.39 2.06 -3.99 -1.43 5.15 0.26 -1.02 115.26 114.90 2wn3 n ASN 174 Ca 0.04 -1.91 -0.09 0.00 -0.60 0.00 0.00 54.58 52.02 2wn3 n ASN 174 Cb 0.12 -0.22 -0.08 0.00 -0.53 0.00 0.00 39.78 39.07 2wn3 n ASN 174 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2wn3 s THR 175 N -1.57 0.11 0.00 -0.44 2.01 -1.17 -4.73 115.64 109.85 2wn3 s THR 175 Ca 0.29 -1.49 0.00 0.00 0.31 0.00 0.00 61.69 60.80 2wn3 s THR 175 Cb 0.15 -1.72 0.00 0.00 0.01 0.00 0.00 72.50 70.94 2wn3 s THR 175 CO 0.21 -0.50 0.00 0.61 -0.69 0.00 0.00 174.62 174.26 2wn3 n GLY 176 N -0.12 -2.84 3.05 4.40 0.00 -1.26 -5.00 105.19 103.43 2wn3 n GLY 176 Ca -0.10 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.10 2wn3 n GLY 176 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wn3 s SER 177 N -1.76 0.60 0.00 1.61 0.15 -1.26 -4.76 113.70 108.27 2wn3 s SER 177 Ca 0.00 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 55.98 2wn3 s SER 177 Cb 0.00 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 2wn3 s SER 177 CO 0.00 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.71 2wn3 n GLY 178 N 1.09 -2.06 3.69 9.45 0.00 0.28 -4.83 105.19 112.81 2wn3 n GLY 178 Ca -0.20 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.03 4.25 0.00 1.61 2.47 -1.26 -3.81 119.74 122.98 2wn3 s LYS 179 Ca 0.00 2.12 0.02 0.00 -1.56 0.00 0.00 55.97 56.55 2wn3 s LYS 179 Cb 0.00 -3.53 -0.01 0.00 -1.46 0.00 0.00 37.83 32.83 2wn3 s LYS 179 CO 0.00 -0.62 -0.06 1.03 0.16 0.00 0.00 175.35 175.86 2wn3 s ARG 180 N 2.29 0.45 0.02 4.03 0.52 -0.69 -4.99 118.95 120.58 2wn3 s ARG 180 Ca 0.68 -0.29 0.04 0.00 -0.52 0.00 0.00 55.73 55.63 2wn3 s ARG 180 Cb -0.35 -0.40 -0.02 0.00 0.52 0.00 0.00 34.95 34.70 2wn3 s ARG 180 CO 0.29 0.10 -0.11 -1.21 0.02 0.00 0.00 175.30 174.39 2wn3 s GLU 181 N -0.39 0.79 -0.15 3.54 2.02 -1.26 -1.94 118.70 121.31 2wn3 s GLU 181 Ca -0.00 -0.61 0.01 0.00 0.02 0.00 0.00 54.97 54.39 2wn3 s GLU 181 Cb -0.03 -0.75 0.02 0.00 0.10 0.00 0.00 34.13 33.46 2wn3 s GLU 181 CO -0.00 0.19 -0.18 0.08 0.02 0.00 0.00 175.26 175.37 2wn3 s VAL 182 N -0.72 1.82 -0.19 2.63 1.01 0.20 -4.92 120.40 120.22 2wn3 s VAL 182 Ca 0.00 -0.80 -0.07 0.00 0.00 0.00 0.00 61.98 61.12 2wn3 s VAL 182 Cb -0.07 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 2wn3 s VAL 182 CO 0.01 0.50 0.04 -0.69 0.00 0.00 0.00 175.10 174.96 2wn3 s VAL 183 N 1.22 4.46 -0.30 2.92 1.01 -1.26 -1.26 120.40 127.19 2wn3 s VAL 183 Ca 0.01 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.86 2wn3 s VAL 183 Cb -0.14 -3.02 0.07 0.00 0.00 0.00 0.00 36.38 33.29 2wn3 s VAL 183 CO -0.08 0.43 -0.03 -0.69 0.00 0.00 0.00 175.10 174.73 2wn3 s VAL 184 N 0.71 2.48 0.34 2.92 1.01 0.52 -4.96 120.40 123.42 2wn3 s VAL 184 Ca 0.02 -1.75 -0.29 0.00 0.00 0.00 0.00 61.98 59.97 2wn3 s VAL 184 Cb -0.14 -2.54 -0.10 0.00 0.00 0.00 0.00 36.38 33.60 2wn3 s VAL 184 CO 0.02 -0.21 1.35 -2.84 0.00 0.00 0.00 175.10 173.42 2wn3 s PRO 185 N 1.10 4.29 -0.08 2.72 0.02 -1.26 -0.75 135.00 141.04 2wn3 s PRO 185 Ca -0.03 2.31 0.03 0.00 0.02 0.00 0.00 61.00 63.33 2wn3 s PRO 185 Cb -0.20 -3.04 0.01 0.00 0.02 0.00 0.00 34.50 31.28 2wn3 s PRO 185 CO -0.05 -0.28 -0.18 0.08 -0.33 0.00 0.00 177.00 176.24 2wn3 s VAL 186 N -1.12 1.59 -0.16 3.83 1.01 0.20 -4.89 120.40 120.85 2wn3 s VAL 186 Ca 0.50 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 2wn3 s VAL 186 Cb -0.42 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 2wn3 s VAL 186 CO 0.55 0.46 -0.08 -0.54 0.00 0.00 0.00 175.10 175.49 2wn3 s LYS 187 N 0.46 3.46 0.61 2.72 1.02 -1.26 -1.27 119.74 125.49 2wn3 s LYS 187 Ca -0.16 -0.62 -0.18 0.00 0.02 0.00 0.00 55.97 55.03 2wn3 s LYS 187 Cb -0.17 -2.82 -0.02 0.00 -0.52 0.00 0.00 37.83 34.30 2wn3 s LYS 187 CO 0.06 0.10 1.19 -0.06 -0.92 0.00 0.00 175.35 175.73 2wn3 s PHE 188 N 0.67 2.39 0.29 3.18 0.08 -0.39 -4.92 117.98 119.29 2wn3 s PHE 188 Ca -0.04 1.53 0.01 0.00 0.12 0.00 0.00 56.93 58.55 2wn3 s PHE 188 Cb -0.15 -3.43 0.52 0.00 -0.57 0.00 0.00 43.02 39.39 2wn3 s PHE 188 CO 0.02 -2.15 1.87 0.37 -0.10 0.00 0.00 175.22 175.23 2wn3 h GLN 189 N 0.68 1.01 -4.77 0.44 4.15 -1.96 -3.42 115.11 111.24 2wn3 h GLN 189 Ca -0.50 -0.06 -0.26 0.00 0.77 0.00 0.00 58.65 58.60 2wn3 h GLN 189 Cb 1.29 -0.23 -0.16 0.00 0.21 0.00 0.00 27.48 28.59 2wn3 h GLN 189 CO 0.54 0.67 -0.71 -0.59 -1.93 0.00 0.00 178.83 176.81 2wn3 s PHE 190 N -5.95 0.96 0.01 3.99 -0.12 -1.26 -5.13 117.98 110.48 2wn3 s PHE 190 Ca -0.12 -0.80 -0.30 0.00 -0.05 0.00 0.00 56.93 55.66 2wn3 s PHE 190 Cb 0.21 -0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 42.03 2wn3 s PHE 190 CO 0.81 -0.08 1.02 -2.00 -0.05 0.00 0.00 175.22 174.92 2wn3 s GLU 191 N -3.41 4.54 0.59 1.99 2.12 -1.26 -4.91 118.70 118.35 2wn3 s GLU 191 Ca 0.09 1.49 -0.18 0.00 0.36 0.00 0.00 54.97 56.73 2wn3 s GLU 191 Cb 0.02 -3.44 -0.04 0.00 0.26 0.00 0.00 34.13 30.93 2wn3 s GLU 191 CO -0.03 -0.08 1.13 -0.06 -0.54 0.00 0.00 175.26 175.69 2wn3 s PHE 192 N 0.99 2.62 0.20 5.30 0.08 -0.59 -4.96 117.98 121.61 2wn3 s PHE 192 Ca 0.53 1.54 0.13 0.00 0.12 0.00 0.00 56.93 59.25 2wn3 s PHE 192 Cb -0.23 -3.28 0.37 0.00 -0.57 0.00 0.00 43.02 39.32 2wn3 s PHE 192 CO 0.28 -1.69 1.60 0.00 -0.10 0.00 0.00 175.22 175.32 2wn3 h ALA 193 N 0.80 0.89 -2.36 5.36 0.00 -1.96 -3.46 119.26 118.54 2wn3 h ALA 193 Ca -0.49 -0.53 -0.31 0.00 0.00 0.00 0.00 54.91 53.58 2wn3 h ALA 193 Cb 1.26 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.81 2wn3 h ALA 193 CO 0.56 0.73 -0.63 0.95 0.00 0.00 0.00 179.25 180.86 2wn3 s THR 194 N -3.47 0.48 0.01 0.00 -4.23 -1.26 -5.12 115.64 102.05 2wn3 s THR 194 Ca -0.00 -1.99 -0.30 0.00 -1.18 0.00 0.00 61.69 58.21 2wn3 s THR 194 Cb 0.12 -2.46 -0.06 0.00 1.34 0.00 0.00 72.50 71.43 2wn3 s THR 194 CO 0.75 -0.14 1.53 -0.22 -0.54 0.00 0.00 174.62 175.99 2wn3 s LEU 195 N -3.24 4.33 0.61 4.79 2.96 -1.26 -4.79 118.68 122.08 2wn3 s LEU 195 Ca 0.34 2.24 -0.08 0.00 -0.22 0.00 0.00 54.13 56.41 2wn3 s LEU 195 Cb 0.07 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.20 2wn3 s LEU 195 CO 0.10 -0.82 0.96 -2.16 -1.32 0.00 0.00 176.35 173.12 2wn3 s PRO 196 N 2.84 3.14 -0.02 0.98 0.04 -1.26 -4.64 135.00 136.08 2wn3 s PRO 196 Ca 0.69 0.30 -0.02 0.00 0.04 0.00 0.00 61.00 62.00 2wn3 s PRO 196 Cb -0.34 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.97 2wn3 s PRO 196 CO 0.28 -0.68 0.13 0.15 0.04 0.00 0.00 177.00 176.93 2wn3 s LYS 197 N -5.08 3.27 -0.09 4.56 1.02 -0.38 -4.92 119.74 118.12 2wn3 s LYS 197 Ca 0.54 -0.37 0.01 0.00 0.02 0.00 0.00 55.97 56.17 2wn3 s LYS 197 Cb -0.11 -3.00 0.02 0.00 -0.52 0.00 0.00 37.83 34.22 2wn3 s LYS 197 CO 0.49 0.67 -0.11 0.08 -0.92 0.00 0.00 175.35 175.56 2wn3 s VAL 198 N -1.23 1.19 -0.10 3.17 1.01 -1.26 -1.23 120.40 121.95 2wn3 s VAL 198 Ca 0.24 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.64 2wn3 s VAL 198 Cb -0.12 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 2wn3 s VAL 198 CO 0.15 0.38 0.29 0.00 0.00 0.00 0.00 175.10 175.92 2wn3 s ALA 199 N 1.12 3.70 -0.26 5.51 0.00 -0.09 -4.90 121.76 126.84 2wn3 s ALA 199 Ca -0.05 -0.42 -0.01 0.00 0.00 0.00 0.00 51.96 51.47 2wn3 s ALA 199 Cb -0.14 -2.28 0.14 0.00 0.00 0.00 0.00 23.12 20.83 2wn3 s ALA 199 CO -0.02 0.35 0.35 -1.17 0.00 0.00 0.00 175.76 175.27 2wn3 s LEU 200 N -0.41 -0.53 0.11 0.00 2.96 -1.26 -0.65 118.68 118.90 2wn3 s LEU 200 Ca 0.18 -0.18 0.04 0.00 -0.22 0.00 0.00 54.13 53.95 2wn3 s LEU 200 Cb -0.14 0.90 -0.04 0.00 0.50 0.00 0.00 46.19 47.42 2wn3 s LEU 200 CO 0.07 -0.33 -0.10 0.20 -1.32 0.00 0.00 176.35 174.86 2wn3 s ASN 201 N 2.48 1.60 0.30 3.68 0.02 -0.72 -4.74 114.94 117.55 2wn3 s ASN 201 Ca 0.11 -0.88 -0.29 0.00 -1.02 0.00 0.00 52.86 50.78 2wn3 s ASN 201 Cb -0.14 -0.00 -0.09 0.00 0.02 0.00 0.00 41.25 41.03 2wn3 s ASN 201 CO -0.22 -0.28 1.12 -0.36 0.02 0.00 0.00 177.10 177.38 2wn3 s PHE 202 N -2.71 3.47 0.00 2.20 0.40 -1.26 -1.78 117.98 118.30 2wn3 s PHE 202 Ca 0.09 1.66 0.00 0.00 -0.60 0.00 0.00 56.93 58.08 2wn3 s PHE 202 Cb -0.01 -3.31 0.00 0.00 0.51 0.00 0.00 43.02 40.21 2wn3 s PHE 202 CO 0.00 -0.72 0.11 -0.40 0.70 0.00 0.00 175.22 174.91 2wn3 n ASP 203 N 0.97 0.22 -3.67 1.36 5.75 -0.42 -4.86 116.55 115.91 2wn3 n ASP 203 Ca -0.00 -0.56 -0.09 0.00 -0.01 0.00 0.00 54.79 54.13 2wn3 n ASP 203 Cb 0.45 0.49 -0.09 0.00 -1.03 0.00 0.00 41.12 40.94 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 -0.49 0.52 -0.06 0.11 0.74 -1.16 -4.98 119.66 114.33 2wn3 s GLN 204 Ca 0.00 0.99 0.02 0.00 0.05 0.00 0.00 55.36 56.42 2wn3 s GLN 204 Cb 0.00 0.08 0.02 0.00 1.10 0.00 0.00 33.01 34.21 2wn3 s GLN 204 CO 0.00 -0.16 -0.10 0.42 -0.55 0.00 0.00 175.29 174.90 2wn3 s ILE 205 N 1.60 0.98 -0.32 -2.34 1.01 -1.26 -1.19 121.20 119.68 2wn3 s ILE 205 Ca -0.09 -0.39 -0.02 0.00 0.00 0.00 0.00 60.65 60.15 2wn3 s ILE 205 Cb -0.07 -0.92 0.12 0.00 0.01 0.00 0.00 42.46 41.60 2wn3 s ILE 205 CO -0.16 0.32 0.19 -0.62 0.00 0.00 0.00 174.94 174.67 2wn3 s ASP 206 N 0.73 3.07 0.07 3.58 -1.08 -0.84 -5.03 116.67 117.16 2wn3 s ASP 206 Ca -0.14 -1.70 -0.11 0.00 -0.52 0.00 0.00 52.55 50.09 2wn3 s ASP 206 Cb -0.15 -0.29 0.01 0.00 -1.46 0.00 0.00 42.92 41.03 2wn3 s ASP 206 CO 0.03 -0.37 0.23 0.00 0.52 0.00 0.00 175.17 175.58 2wn3 s THR 208 N -3.23 4.88 0.81 0.00 2.01 0.25 -4.94 115.64 115.41 2wn3 s THR 208 Ca -0.00 -0.03 -0.11 0.00 0.31 0.00 0.00 61.69 61.86 2wn3 s THR 208 Cb 0.02 -3.10 0.07 0.00 0.01 0.00 0.00 72.50 69.51 2wn3 s THR 208 CO -0.08 0.61 1.10 1.51 -0.69 0.00 0.00 174.62 177.07 2wn3 s ASP 209 N -0.90 4.40 -0.15 3.53 1.47 -1.26 -3.97 116.67 119.79 2wn3 s ASP 209 Ca 0.14 1.34 -0.02 0.00 1.18 0.00 0.00 52.55 55.18 2wn3 s ASP 209 Cb -0.12 -2.07 0.05 0.00 -0.34 0.00 0.00 42.92 40.44 2wn3 s ASP 209 CO 0.03 -2.03 0.02 0.00 0.68 0.00 0.00 175.17 173.87 2wn3 s ALA 210 N -3.13 0.90 -1.40 2.11 0.00 -0.30 -4.77 121.76 115.17 2wn3 s ALA 210 Ca 0.61 -0.49 -0.13 0.00 0.00 0.00 0.00 51.96 51.95 2wn3 s ALA 210 Cb -0.15 -1.02 0.01 0.00 0.00 0.00 0.00 23.12 21.97 2wn3 s ALA 210 CO 0.54 -0.91 0.32 2.41 0.00 0.00 0.00 175.76 178.13 2wn3 n THR 211 N 5.08 -2.12 -0.82 0.00 -1.04 -1.26 -1.11 114.28 113.02 2wn3 n THR 211 Ca -0.08 -0.56 0.00 0.00 -2.04 0.00 0.00 64.05 61.37 2wn3 n THR 211 Cb 0.48 -1.83 0.00 0.00 -1.82 0.00 0.00 70.33 67.16 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 -2.65 -0.78 -4.79 8.00 3.02 -1.26 -4.99 115.26 111.80 2wn3 n ASN 212 Ca -0.24 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 53.94 2wn3 n ASN 212 Cb 0.65 -1.26 -0.07 0.00 -0.61 0.00 0.00 39.78 38.49 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 -0.53 3.93 -0.16 3.52 2.00 -0.27 -5.00 119.66 123.15 2wn3 s GLN 213 Ca 0.00 0.00 -0.10 0.00 -2.00 0.00 0.00 55.36 53.27 2wn3 s GLN 213 Cb 0.00 -3.32 -0.05 0.00 0.80 0.00 0.00 33.01 30.44 2wn3 s GLN 213 CO 0.00 0.49 0.16 0.99 -0.50 0.00 0.00 175.29 176.43 2wn3 s THR 214 N -0.26 5.42 -0.27 -0.34 2.01 -1.26 -1.15 115.64 119.79 2wn3 s THR 214 Ca 0.15 0.26 -0.03 0.00 0.31 0.00 0.00 61.69 62.38 2wn3 s THR 214 Cb -0.13 -3.47 0.10 0.00 0.01 0.00 0.00 72.50 69.02 2wn3 s THR 214 CO 0.04 0.50 0.18 -0.13 -0.69 0.00 0.00 174.62 174.52 2wn3 s ARG 215 N -0.16 0.21 0.01 4.92 0.52 -1.26 -5.07 118.95 118.13 2wn3 s ARG 215 Ca 0.12 -0.29 -0.06 0.00 -0.52 0.00 0.00 55.73 54.98 2wn3 s ARG 215 Cb -0.12 -1.11 -0.00 0.00 0.52 0.00 0.00 34.95 34.24 2wn3 s ARG 215 CO 0.01 -0.94 0.11 0.96 0.02 0.00 0.00 175.30 175.46 2wn3 s ILE 216 N 2.20 0.10 0.13 1.52 -4.36 -1.26 -4.44 121.20 115.08 2wn3 s ILE 216 Ca 0.08 -0.79 -0.21 0.00 -0.26 0.00 0.00 60.65 59.46 2wn3 s ILE 216 Cb -0.15 -0.48 0.06 0.00 1.25 0.00 0.00 42.46 43.13 2wn3 s ILE 216 CO -0.30 -0.44 0.54 -0.83 0.24 0.00 0.00 174.94 174.16 2wn3 s GLY 217 N -1.53 -0.51 -0.12 6.27 0.00 -0.64 -5.01 107.32 105.79 2wn3 s GLY 217 Ca -0.13 0.38 -0.10 0.00 0.00 0.00 0.00 44.72 44.87 2wn3 s GLY 217 CO 0.00 0.08 0.30 0.54 0.00 0.00 0.00 173.10 174.02 2wn3 s VAL 218 N -3.54 -0.00 -0.26 1.40 0.11 -1.26 -1.30 120.40 115.54 2wn3 s VAL 218 Ca 0.00 0.01 -0.23 0.00 -2.93 0.00 0.00 61.98 58.84 2wn3 s VAL 218 Cb -0.00 -0.43 0.07 0.00 -1.53 0.00 0.00 36.38 34.48 2wn3 s VAL 218 CO -0.11 0.00 0.68 -1.58 -3.33 0.00 0.00 175.10 170.77 2wn3 s GLN 219 N 0.26 0.78 0.47 1.54 2.00 -0.27 -4.93 119.66 119.52 2wn3 s GLN 219 Ca -0.01 0.99 -0.21 0.00 -2.00 0.00 0.00 55.36 54.13 2wn3 s GLN 219 Cb -0.03 0.35 -0.08 0.00 0.80 0.00 0.00 33.01 34.05 2wn3 s GLN 219 CO -0.01 -0.10 1.06 -2.14 -0.50 0.00 0.00 175.29 173.60 2wn3 s PRO 220 N 0.56 3.84 0.03 1.67 0.02 -1.26 -1.15 135.00 138.69 2wn3 s PRO 220 Ca -0.02 1.46 0.02 0.00 0.02 0.00 0.00 61.00 62.49 2wn3 s PRO 220 Cb -0.05 -2.22 -0.02 0.00 0.02 0.00 0.00 34.50 32.23 2wn3 s PRO 220 CO -0.02 -0.42 -0.08 0.50 -0.33 0.00 0.00 177.00 176.65 2wn3 s ARG 221 N -3.01 0.57 -1.15 5.54 3.52 0.48 -4.90 118.95 120.00 2wn3 s ARG 221 Ca 0.65 -0.57 -0.03 0.00 -0.13 0.00 0.00 55.73 55.65 2wn3 s ARG 221 Cb -0.20 -0.45 0.00 0.00 -1.56 0.00 0.00 34.95 32.75 2wn3 s ARG 221 CO 0.24 0.10 0.98 0.09 -0.81 0.00 0.00 175.30 175.90 2wn3 n ASN 222 N 2.04 -3.66 -4.71 -2.12 3.02 -1.26 -0.60 115.26 107.97 2wn3 n ASN 222 Ca -0.19 -0.53 -0.42 0.00 -0.03 0.00 0.00 54.58 53.41 2wn3 n ASN 222 Cb 0.56 -4.68 -0.03 0.00 -0.61 0.00 0.00 39.78 35.02 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 -3.31 3.02 0.42 2.41 1.01 -1.26 -4.41 121.20 119.08 2wn3 s ILE 223 Ca 0.22 0.69 0.03 0.00 0.00 0.00 0.00 60.65 61.59 2wn3 s ILE 223 Cb -0.10 -3.44 -0.01 0.00 0.01 0.00 0.00 42.46 38.92 2wn3 s ILE 223 CO 0.66 0.04 0.13 0.35 0.00 0.00 0.00 174.94 176.12 2wn3 n THR 224 N 4.11 0.00 0.29 2.92 -2.24 0.03 -5.00 114.28 114.39 2wn3 n THR 224 Ca 0.13 -2.38 0.15 0.00 -2.27 0.00 0.00 64.05 59.68 2wn3 n THR 224 Cb 0.41 0.80 0.71 0.00 -2.10 0.00 0.00 70.33 70.15 2wn3 n THR 224 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2wn3 h THR 225 N 1.62 0.00 0.00 4.28 1.35 -1.88 -3.19 112.91 115.09 2wn3 h THR 225 Ca -0.33 -0.16 -0.09 0.00 -0.55 0.00 0.00 66.41 65.28 2wn3 h THR 225 Cb 1.22 0.92 -0.02 0.00 -1.73 0.00 0.00 68.15 68.54 2wn3 h THR 225 CO 0.53 0.00 -2.03 0.29 -0.25 0.00 0.00 175.52 174.06 2wn3 n LYS 226 N -2.57 0.66 -3.62 4.72 5.02 -1.26 -1.54 118.16 119.57 2wn3 n LYS 226 Ca -0.00 -0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 2wn3 n LYS 226 Cb 0.15 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 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 1.37 -0.62 3.73 0.72 0.00 -1.21 -1.26 105.19 107.93 2wn3 n GLY 227 Ca -0.10 -0.93 -0.08 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.00 -0.27 -0.26 1.61 -0.71 -0.40 -0.79 117.98 114.16 2wn3 s PHE 228 Ca 0.00 -0.10 -0.14 0.00 -1.04 0.00 0.00 56.93 55.64 2wn3 s PHE 228 Cb 0.00 0.66 -0.04 0.00 -1.21 0.00 0.00 43.02 42.43 2wn3 s PHE 228 CO 0.00 -1.09 0.34 -0.51 -1.34 0.00 0.00 175.22 172.62 2wn3 s ASP 229 N -2.87 6.24 -0.46 1.98 1.01 0.23 -0.63 116.67 122.17 2wn3 s ASP 229 Ca 0.09 0.27 -0.26 0.00 0.71 0.00 0.00 52.55 53.36 2wn3 s ASP 229 Cb -0.04 -2.20 0.03 0.00 1.01 0.00 0.00 42.92 41.72 2wn3 s ASP 229 CO 0.01 -0.14 0.95 0.00 0.21 0.00 0.00 175.17 176.20 2wn3 s VAL 231 N 3.80 4.53 0.05 0.00 1.01 -0.30 -0.35 120.40 129.14 2wn3 s VAL 231 Ca 0.38 -0.98 -0.14 0.00 0.00 0.00 0.00 61.98 61.24 2wn3 s VAL 231 Cb -0.10 -3.59 -0.06 0.00 0.00 0.00 0.00 36.38 32.63 2wn3 s VAL 231 CO 0.26 -0.31 0.45 -0.36 0.00 0.00 0.00 175.10 175.14 2wn3 s PHE 232 N 1.53 3.69 0.15 5.22 0.08 -0.39 -1.12 117.98 127.14 2wn3 s PHE 232 Ca 0.02 1.00 -0.16 0.00 0.12 0.00 0.00 56.93 57.91 2wn3 s PHE 232 Cb -0.20 -2.30 0.03 0.00 -0.57 0.00 0.00 43.02 39.98 2wn3 s PHE 232 CO 0.06 0.58 0.43 1.52 -0.10 0.00 0.00 175.22 177.70 2wn3 s TYR 233 N -1.21 -0.14 0.32 0.36 -0.85 -0.42 -0.63 117.35 114.77 2wn3 s TYR 233 Ca 0.29 -0.18 0.05 0.00 -0.52 0.00 0.00 57.07 56.70 2wn3 s TYR 233 Cb -0.16 0.28 -0.03 0.00 0.38 0.00 0.00 41.96 42.43 2wn3 s TYR 233 CO 0.16 -0.76 0.29 -0.08 -1.52 0.00 0.00 175.55 173.64 2wn3 s THR 234 N -3.83 0.00 0.32 -3.49 -1.32 -0.82 -1.63 115.64 104.88 2wn3 s THR 234 Ca 0.06 -1.94 -0.09 0.00 -1.21 0.00 0.00 61.69 58.51 2wn3 s THR 234 Cb 0.01 -2.52 0.03 0.00 -1.51 0.00 0.00 72.50 68.52 2wn3 s THR 234 CO -0.09 0.00 0.58 -2.67 -2.21 0.00 0.00 174.62 170.23 2wn3 n TRP 235 N -0.57 -1.86 -4.35 9.09 2.14 -1.26 -1.70 117.44 118.93 2wn3 n TRP 235 Ca 0.06 -1.73 0.00 0.00 2.07 0.00 0.00 57.50 57.90 2wn3 n TRP 235 Cb 0.63 0.67 0.00 0.00 -0.81 0.00 0.00 31.31 31.80 2wn3 n TRP 235 CO 0.00 0.00 0.00 -1.71 2.07 0.00 0.00 177.69 178.05 2wn3 n ASN 236 N -1.54 0.00 -0.78 -0.67 2.85 -1.25 -2.78 115.26 111.09 2wn3 n ASN 236 Ca -0.05 0.00 0.09 0.00 -0.11 0.00 0.00 54.58 54.51 2wn3 n ASN 236 Cb 0.50 0.00 0.25 0.00 1.24 0.00 0.00 39.78 41.78 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 6.88 2.00 -2.20 1.20 -0.58 -1.26 -0.55 120.64 126.13 2wn3 n GLU 237 Ca 0.00 -1.54 -0.37 0.00 -0.42 0.00 0.00 57.16 54.83 2wn3 n GLU 237 Cb 0.00 -1.38 -0.00 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 -1.22 6.06 -0.13 1.62 -0.87 -1.12 -4.92 114.94 114.36 2wn3 s ASN 238 Ca 0.32 2.36 0.01 0.00 -1.57 0.00 0.00 52.86 53.98 2wn3 s ASN 238 Cb 0.17 -2.61 -0.01 0.00 -0.02 0.00 0.00 41.25 38.78 2wn3 s ASN 238 CO 0.23 -1.00 -0.16 -0.54 -2.57 0.00 0.00 177.10 173.07 2wn3 s LYS 239 N -2.72 3.28 -0.17 -0.60 -0.14 -1.26 -4.76 119.74 113.38 2wn3 s LYS 239 Ca 0.64 -0.74 0.01 0.00 -1.36 0.00 0.00 55.97 54.52 2wn3 s LYS 239 Cb -0.30 -2.56 0.03 0.00 -1.68 0.00 0.00 37.83 33.32 2wn3 s LYS 239 CO 0.36 0.17 -0.13 0.08 -0.76 0.00 0.00 175.35 175.08 2wn3 s VAL 240 N 0.43 1.65 0.01 3.17 1.01 -0.19 -0.58 120.40 125.90 2wn3 s VAL 240 Ca -0.12 -0.83 -0.21 0.00 0.00 0.00 0.00 61.98 60.83 2wn3 s VAL 240 Cb -0.16 -1.62 -0.18 0.00 0.00 0.00 0.00 36.38 34.42 2wn3 s VAL 240 CO 0.05 0.34 1.22 0.22 0.00 0.00 0.00 175.10 176.94 2wn3 h TYR 241 N 8.01 0.44 -2.97 5.22 3.20 -1.38 -2.25 116.97 127.23 2wn3 h TYR 241 Ca -0.34 -0.18 -0.02 0.00 3.14 0.00 0.00 58.73 61.33 2wn3 h TYR 241 Cb 1.12 -0.07 -0.12 0.00 1.54 0.00 0.00 36.73 39.19 2wn3 h TYR 241 CO 0.49 0.88 0.21 -1.54 -1.64 0.00 0.00 178.16 176.56 2wn3 s SER 242 N -6.31 -0.57 -0.01 -2.11 1.04 -0.80 -0.89 113.70 104.04 2wn3 s SER 242 Ca -0.14 0.02 -0.05 0.00 0.48 0.00 0.00 55.95 56.26 2wn3 s SER 242 Cb 0.04 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.76 2wn3 s SER 242 CO 0.77 -0.96 0.11 -0.76 0.98 0.00 0.00 173.24 173.38 2wn3 s LEU 243 N -2.70 1.65 0.04 2.42 1.43 -1.26 -1.99 118.68 118.26 2wn3 s LEU 243 Ca 0.01 -0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.06 2wn3 s LEU 243 Cb -0.01 0.49 -0.02 0.00 0.03 0.00 0.00 46.19 46.68 2wn3 s LEU 243 CO -0.12 -0.23 -0.10 -0.60 0.23 0.00 0.00 176.35 175.53 2wn3 s ARG 244 N -0.83 0.66 0.03 1.70 3.52 -0.33 -1.51 118.95 122.18 2wn3 s ARG 244 Ca -0.09 -0.68 -0.05 0.00 -0.13 0.00 0.00 55.73 54.78 2wn3 s ARG 244 Cb -0.05 -0.57 -0.01 0.00 -1.56 0.00 0.00 34.95 32.76 2wn3 s ARG 244 CO 0.01 0.13 0.09 0.00 -0.81 0.00 0.00 175.30 174.72 2wn3 s ALA 245 N -0.98 -0.09 0.14 6.12 0.00 -0.26 -1.29 121.76 125.39 2wn3 s ALA 245 Ca -0.03 -0.47 0.06 0.00 0.00 0.00 0.00 51.96 51.52 2wn3 s ALA 245 Cb -0.08 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 2wn3 s ALA 245 CO 0.01 -0.27 0.02 -0.51 0.00 0.00 0.00 175.76 175.00 2wn3 s ASP 246 N -1.88 4.97 0.21 0.00 1.01 -0.73 -0.73 116.67 119.52 2wn3 s ASP 246 Ca -0.09 -0.27 0.11 0.00 0.71 0.00 0.00 52.55 53.01 2wn3 s ASP 246 Cb -0.04 -1.14 -0.05 0.00 1.01 0.00 0.00 42.92 42.70 2wn3 s ASP 246 CO -0.03 0.12 -0.21 -0.72 0.21 0.00 0.00 175.17 174.55 2wn3 s TYR 247 N -1.56 2.13 -0.09 4.23 1.13 -0.08 -1.76 117.35 121.35 2wn3 s TYR 247 Ca 0.27 -0.39 -0.02 0.00 -1.41 0.00 0.00 57.07 55.52 2wn3 s TYR 247 Cb -0.10 -1.01 0.03 0.00 -1.10 0.00 0.00 41.96 39.78 2wn3 s TYR 247 CO 0.19 0.51 0.02 0.42 -2.51 0.00 0.00 175.55 174.17 2wn3 s ILE 248 N -2.09 0.33 -0.14 -3.49 1.09 0.18 -1.61 121.20 115.47 2wn3 s ILE 248 Ca 0.22 0.05 0.01 0.00 -1.10 0.00 0.00 60.65 59.83 2wn3 s ILE 248 Cb -0.06 -0.56 -0.00 0.00 -1.06 0.00 0.00 42.46 40.77 2wn3 s ILE 248 CO 0.10 0.16 -0.18 0.00 -0.10 0.00 0.00 174.94 174.93 2wn3 s ALA 249 N 1.98 2.41 -0.06 9.38 0.00 0.27 -0.91 121.76 134.84 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 -1.11 0.01 0.00 0.00 0.00 0.00 23.12 21.89 2wn3 s ALA 249 CO -0.06 0.06 -0.12 0.99 0.00 0.00 0.00 175.76 176.63 2wn3 s THR 250 N 0.68 1.07 -0.01 0.00 2.01 -0.36 -0.62 115.64 118.40 2wn3 s THR 250 Ca -0.09 -0.46 0.05 0.00 0.31 0.00 0.00 61.69 61.51 2wn3 s THR 250 Cb -0.16 -0.98 -0.03 0.00 0.01 0.00 0.00 72.50 71.35 2wn3 s THR 250 CO 0.02 0.34 -0.15 0.00 -0.69 0.00 0.00 174.62 174.13 2wn3 s ALA 251 N 0.58 2.66 -0.01 7.40 0.00 -0.09 -1.25 121.76 131.06 2wn3 s ALA 251 Ca -0.12 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 50.78 2wn3 s ALA 251 Cb -0.15 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 2wn3 s ALA 251 CO 0.03 0.57 0.01 -0.51 0.00 0.00 0.00 175.76 175.86 2wn3 s LEU 252 N -1.06 3.57 0.00 0.00 1.43 -1.26 -0.96 118.68 120.40 2wn3 s LEU 252 Ca 0.13 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 2wn3 s LEU 252 Cb -0.11 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.09 2wn3 s LEU 252 CO 0.03 0.29 0.00 -0.62 0.23 0.00 0.00 176.35 176.28