#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wn2 h MET 1 N 0.00 0.54 0.00 0.00 1.85 -2.07 -2.87 114.93 112.38 2wn2 h MET 1 Ca 0.00 -0.03 -0.03 0.00 -0.61 0.00 0.00 59.70 59.03 2wn2 h MET 1 Cb 0.00 -0.12 -0.00 0.00 0.43 0.00 0.00 31.60 31.90 2wn2 h MET 1 CO 0.00 0.36 -0.15 0.66 -0.40 0.00 0.00 176.91 177.38 2wn2 h SER 2 N 0.55 0.00 -0.28 1.39 4.64 -2.07 -2.27 113.55 115.51 2wn2 h SER 2 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2wn2 h SER 2 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2wn2 h SER 2 CO -0.06 0.15 0.00 0.35 -0.87 0.00 0.00 176.83 176.40 2wn2 n THR 3 N -3.42 1.75 -1.61 2.95 -2.24 -1.10 -5.03 114.28 105.58 2wn2 n THR 3 Ca -0.01 -1.52 -0.52 0.00 -2.27 0.00 0.00 64.05 59.73 2wn2 n THR 3 Cb 0.33 0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 68.56 2wn2 n THR 3 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2wn2 n GLN 4 N -0.12 1.32 -0.40 -0.78 7.27 -0.86 -1.83 117.38 121.98 2wn2 n GLN 4 Ca 0.17 0.48 0.00 0.00 0.07 0.00 0.00 57.00 57.72 2wn2 n GLN 4 Cb 0.69 -2.15 0.00 0.00 2.41 0.00 0.00 30.24 31.20 2wn2 n GLN 4 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2wn2 n GLY 5 N 2.84 0.99 3.94 1.69 0.00 -1.26 -5.05 105.19 108.34 2wn2 n GLY 5 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 2wn2 n GLY 5 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wn2 s LEU 6 N 0.00 4.16 -0.14 0.99 1.43 -0.76 -4.64 118.68 119.72 2wn2 s LEU 6 Ca 0.00 0.39 -0.29 0.00 -1.03 0.00 0.00 54.13 53.20 2wn2 s LEU 6 Cb 0.00 -3.20 -0.01 0.00 0.03 0.00 0.00 46.19 43.02 2wn2 s LEU 6 CO 0.00 -0.14 0.98 -0.69 0.23 0.00 0.00 176.35 176.72 2wn2 s VAL 7 N -2.05 4.79 -0.58 -1.59 1.01 0.46 -4.86 120.40 117.57 2wn2 s VAL 7 Ca 0.39 1.96 -0.25 0.00 0.00 0.00 0.00 61.98 64.08 2wn2 s VAL 7 Cb -0.10 -4.28 0.04 0.00 0.00 0.00 0.00 36.38 32.04 2wn2 s VAL 7 CO 0.31 -0.02 1.02 -1.10 0.00 0.00 0.00 175.10 175.31 2wn2 s GLN 8 N 2.23 3.34 0.04 2.72 -0.21 -1.26 -1.51 119.66 125.01 2wn2 s GLN 8 Ca 0.46 -0.21 -0.25 0.00 0.02 0.00 0.00 55.36 55.37 2wn2 s GLN 8 Cb -0.17 -4.07 -0.17 0.00 1.00 0.00 0.00 33.01 29.59 2wn2 s GLN 8 CO 0.15 -1.61 1.51 -0.07 -2.12 0.00 0.00 175.29 173.15 2wn2 h LEU 9 N 11.36 -0.09 -0.34 2.90 3.38 -1.64 -1.96 115.31 128.92 2wn2 h LEU 9 Ca -0.26 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.40 2wn2 h LEU 9 Cb 1.07 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 2wn2 h LEU 9 CO 1.13 0.13 -0.29 -0.07 0.09 0.00 0.00 178.44 179.43 2wn2 h LEU 10 N -0.32 0.85 -1.36 1.67 4.07 -1.92 -1.03 115.31 117.27 2wn2 h LEU 10 Ca -0.01 -0.45 0.08 0.00 0.08 0.00 0.00 57.88 57.58 2wn2 h LEU 10 Cb 0.27 -0.24 -0.05 0.00 1.08 0.00 0.00 40.66 41.72 2wn2 h LEU 10 CO 0.02 1.13 0.50 0.00 -1.08 0.00 0.00 178.44 179.00 2wn2 h ALA 11 N 0.75 1.73 -0.31 1.53 0.00 -1.93 -1.45 119.26 119.59 2wn2 h ALA 11 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2wn2 h ALA 11 Cb 0.87 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2wn2 h ALA 11 CO 0.07 0.13 0.00 0.09 0.00 0.00 0.00 179.25 179.54 2wn2 n ASN 12 N -4.49 2.48 -3.91 0.00 3.02 -0.74 -4.94 115.26 106.68 2wn2 n ASN 12 Ca 0.12 -1.87 -0.29 0.00 -0.03 0.00 0.00 54.58 52.51 2wn2 n ASN 12 Cb 0.28 -0.20 0.02 0.00 -0.61 0.00 0.00 39.78 39.26 2wn2 n ASN 12 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wn2 n ALA 13 N 0.85 -1.51 1.33 5.41 0.00 -0.55 -4.90 120.51 121.15 2wn2 n ALA 13 Ca 0.17 0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.79 2wn2 n ALA 13 Cb 0.44 -3.53 0.44 0.00 0.00 0.00 0.00 19.45 16.81 2wn2 n ALA 13 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wn2 n GLN 14 N -4.54 1.05 -4.11 0.00 1.13 -0.45 -4.92 117.38 105.54 2wn2 n GLN 14 Ca -0.06 -0.59 -0.13 0.00 -1.94 0.00 0.00 57.00 54.28 2wn2 n GLN 14 Cb 0.57 -1.49 -0.11 0.00 0.11 0.00 0.00 30.24 29.32 2wn2 n GLN 14 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wn2 s HIS 16 N -2.11 3.63 -0.15 0.00 2.46 -0.58 -4.85 115.29 113.69 2wn2 s HIS 16 Ca -0.02 1.60 0.02 0.00 0.47 0.00 0.00 55.06 57.14 2wn2 s HIS 16 Cb -0.05 -2.79 0.01 0.00 -0.13 0.00 0.00 32.58 29.62 2wn2 s HIS 16 CO -0.01 0.22 -0.20 -0.51 -2.47 0.00 0.00 174.74 171.77 2wn2 s LEU 17 N -2.16 2.07 -0.08 8.88 1.43 -1.26 -0.58 118.68 126.98 2wn2 s LEU 17 Ca 0.49 -0.61 0.04 0.00 -1.03 0.00 0.00 54.13 53.02 2wn2 s LEU 17 Cb -0.17 -1.43 -0.01 0.00 0.03 0.00 0.00 46.19 44.61 2wn2 s LEU 17 CO 0.22 0.04 -0.19 -0.60 0.23 0.00 0.00 176.35 176.04 2wn2 s ARG 18 N 1.05 2.81 0.22 1.70 3.52 -0.49 -4.97 118.95 122.78 2wn2 s ARG 18 Ca -0.02 -0.80 0.08 0.00 -0.13 0.00 0.00 55.73 54.87 2wn2 s ARG 18 Cb -0.14 -2.35 -0.04 0.00 -1.56 0.00 0.00 34.95 30.86 2wn2 s ARG 18 CO -0.07 0.37 0.00 0.95 -0.81 0.00 0.00 175.30 175.75 2wn2 s THR 19 N -0.10 3.62 0.04 4.11 -4.23 -1.26 -0.28 115.64 117.54 2wn2 s THR 19 Ca -0.04 -1.64 -0.26 0.00 -1.18 0.00 0.00 61.69 58.58 2wn2 s THR 19 Cb -0.14 -2.87 -0.17 0.00 1.34 0.00 0.00 72.50 70.66 2wn2 s THR 19 CO 0.04 -0.23 1.49 0.77 -0.54 0.00 0.00 174.62 176.15 2wn2 h SER 20 N 2.31 -0.24 -5.06 3.99 4.64 -1.58 -3.47 113.55 114.15 2wn2 h SER 20 Ca -0.46 -0.13 -0.07 0.00 -0.47 0.00 0.00 61.79 60.66 2wn2 h SER 20 Cb 1.22 0.06 -0.16 0.00 -0.31 0.00 0.00 62.40 63.22 2wn2 h SER 20 CO 0.59 -0.01 -0.14 0.42 -0.87 0.00 0.00 176.83 176.81 2wn2 s THR 21 N -5.39 0.07 -0.06 2.95 -4.23 -1.26 -5.03 115.64 102.68 2wn2 s THR 21 Ca -0.15 -0.58 0.04 0.00 -1.18 0.00 0.00 61.69 59.82 2wn2 s THR 21 Cb 0.04 -1.03 0.00 0.00 1.34 0.00 0.00 72.50 72.85 2wn2 s THR 21 CO 0.62 -0.32 -0.17 0.20 -0.54 0.00 0.00 174.62 174.42 2wn2 s ASN 22 N -2.27 2.20 0.16 3.99 0.01 -1.26 -3.98 114.94 113.78 2wn2 s ASN 22 Ca -0.03 -0.37 -0.20 0.00 -0.71 0.00 0.00 52.86 51.56 2wn2 s ASN 22 Cb 0.00 -0.81 0.06 0.00 0.41 0.00 0.00 41.25 40.91 2wn2 s ASN 22 CO -0.06 0.12 1.65 0.22 -1.51 0.00 0.00 177.10 177.52 2wn2 h TYR 23 N 6.56 -0.41 -1.31 2.20 3.20 -0.80 -3.37 116.97 123.04 2wn2 h TYR 23 Ca -0.30 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.61 2wn2 h TYR 23 Cb 1.19 0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.69 2wn2 h TYR 23 CO 0.46 -0.24 0.00 0.27 -1.64 0.00 0.00 178.16 177.01 2wn2 n ASN 24 N -5.34 0.00 0.00 -2.11 0.23 -1.26 -4.81 115.26 101.96 2wn2 n ASN 24 Ca 0.01 -0.31 0.13 0.00 -0.53 0.00 0.00 54.58 53.87 2wn2 n ASN 24 Cb 0.25 0.00 0.62 0.00 -2.08 0.00 0.00 39.78 38.57 2wn2 n ASN 24 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wn2 n GLY 25 N 0.00 -1.21 0.65 4.83 0.00 -1.26 -2.03 105.19 106.17 2wn2 n GLY 25 Ca 0.00 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.00 2wn2 n GLY 25 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wn2 n VAL 26 N -1.35 2.15 -1.84 1.61 0.24 -1.26 -4.56 118.33 113.32 2wn2 n VAL 26 Ca 0.10 -1.98 0.05 0.00 -2.04 0.00 0.00 64.34 60.48 2wn2 n VAL 26 Cb 0.23 -0.24 0.16 0.00 -1.47 0.00 0.00 33.84 32.52 2wn2 n VAL 26 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2wn2 n HIS 27 N -0.76 0.00 -2.65 6.34 8.25 -0.86 -1.84 115.22 123.70 2wn2 n HIS 27 Ca 0.20 -1.23 -0.23 0.00 -0.26 0.00 0.00 57.72 56.19 2wn2 n HIS 27 Cb 0.81 -0.22 0.12 0.00 1.12 0.00 0.00 29.99 31.82 2wn2 n HIS 27 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2wn2 s THR 28 N -2.36 2.01 -0.82 1.59 -4.23 -1.25 -1.23 115.64 109.35 2wn2 s THR 28 Ca 0.37 -0.64 0.06 0.00 -1.18 0.00 0.00 61.69 60.29 2wn2 s THR 28 Cb 0.38 -2.37 0.06 0.00 1.34 0.00 0.00 72.50 71.90 2wn2 s THR 28 CO -0.10 0.00 1.19 0.00 -0.54 0.00 0.00 174.62 175.17 2wn2 n GLN 29 N -2.86 0.03 0.20 3.99 0.00 -1.26 -1.27 117.38 116.22 2wn2 n GLN 29 Ca 0.17 0.51 0.14 0.00 0.00 0.00 0.00 57.00 57.82 2wn2 n GLN 29 Cb 0.61 -1.60 0.69 0.00 0.00 0.00 0.00 30.24 29.94 2wn2 n GLN 29 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.06 177.80 2wn2 h PHE 30 N 0.00 0.00 -0.41 2.61 0.04 -1.95 -2.70 116.94 114.53 2wn2 h PHE 30 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2wn2 h PHE 30 Cb 0.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.18 2wn2 h PHE 30 CO 0.00 0.00 0.00 0.09 -0.60 0.00 0.00 178.31 177.80 2wn2 n ASN 31 N -2.53 4.22 0.04 2.17 3.02 -0.39 -4.69 115.26 117.09 2wn2 n ASN 31 Ca -0.00 -2.71 0.11 0.00 -0.03 0.00 0.00 54.58 51.95 2wn2 n ASN 31 Cb 0.14 -0.52 0.03 0.00 -0.61 0.00 0.00 39.78 38.82 2wn2 n ASN 31 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2wn2 n SER 32 N 0.20 0.62 -4.77 6.41 3.41 -1.02 -3.01 113.62 115.46 2wn2 n SER 32 Ca 0.22 -0.05 -0.41 0.00 -0.26 0.00 0.00 58.87 58.36 2wn2 n SER 32 Cb 0.86 0.72 -0.01 0.00 -0.26 0.00 0.00 64.21 65.53 2wn2 n SER 32 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wn2 s ALA 33 N -3.24 3.61 0.18 7.33 0.00 -1.26 -0.93 121.76 127.44 2wn2 s ALA 33 Ca 0.03 1.50 -0.31 0.00 0.00 0.00 0.00 51.96 53.17 2wn2 s ALA 33 Cb 0.13 -3.59 -0.16 0.00 0.00 0.00 0.00 23.12 19.50 2wn2 s ALA 33 CO 0.79 -0.94 0.91 -0.11 0.00 0.00 0.00 175.76 176.41 2wn2 n LEU 34 N 1.09 0.47 -0.76 0.00 7.94 -0.66 -1.14 117.00 123.93 2wn2 n LEU 34 Ca 0.03 1.15 -0.10 0.00 -1.11 0.00 0.00 56.01 55.98 2wn2 n LEU 34 Cb 0.39 -1.10 -0.04 0.00 0.53 0.00 0.00 43.42 43.20 2wn2 n LEU 34 CO 0.63 -1.95 -0.09 0.59 -1.11 0.00 0.00 177.39 175.45 2wn2 n ASN 35 N 1.77 -5.36 -4.67 1.96 3.02 -1.26 -4.96 115.26 105.76 2wn2 n ASN 35 Ca 0.16 0.25 -0.46 0.00 -0.03 0.00 0.00 54.58 54.49 2wn2 n ASN 35 Cb 0.24 -3.74 -0.04 0.00 -0.61 0.00 0.00 39.78 35.63 2wn2 n ASN 35 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wn2 n TYR 36 N -2.32 2.28 -4.18 3.10 4.19 -0.30 -4.99 117.16 114.94 2wn2 n TYR 36 Ca -0.10 0.22 -0.16 0.00 3.31 0.00 0.00 57.90 61.17 2wn2 n TYR 36 Cb 0.52 -2.56 -0.13 0.00 0.49 0.00 0.00 39.34 37.65 2wn2 n TYR 36 CO 0.00 0.00 0.00 0.15 0.91 0.00 0.00 176.86 177.92 2wn2 s LYS 37 N 1.50 0.55 0.00 2.98 1.02 -1.26 -4.82 119.74 119.71 2wn2 s LYS 37 Ca 0.81 -0.46 0.00 0.00 0.02 0.00 0.00 55.97 56.35 2wn2 s LYS 37 Cb -0.68 -0.47 0.00 0.00 -0.52 0.00 0.00 37.83 36.16 2wn2 s LYS 37 CO 0.41 0.12 0.00 0.27 -0.92 0.00 0.00 175.35 175.22 2wn2 n ASN 38 N 2.33 1.50 -4.57 2.83 0.23 -1.26 -5.06 115.26 111.26 2wn2 n ASN 38 Ca -0.17 -0.21 -0.42 0.00 -0.53 0.00 0.00 54.58 53.25 2wn2 n ASN 38 Cb 0.56 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.24 2wn2 n ASN 38 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 2wn2 s ASN 39 N 0.58 6.33 0.16 0.53 3.84 -1.26 -4.86 114.94 120.26 2wn2 s ASN 39 Ca 0.00 -0.04 0.23 0.00 0.21 0.00 0.00 52.86 53.27 2wn2 s ASN 39 Cb 0.00 -2.55 0.90 0.00 -0.55 0.00 0.00 41.25 39.05 2wn2 s ASN 39 CO 0.00 -1.61 1.71 0.61 -2.79 0.00 0.00 177.10 175.02 2wn2 n GLY 40 N 5.17 -1.36 0.26 1.21 0.00 -1.26 -3.05 105.19 106.16 2wn2 n GLY 40 Ca 0.07 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.22 2wn2 n GLY 40 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wn2 n THR 41 N -2.01 0.00 -3.94 2.61 -2.24 -1.26 -4.84 114.28 102.60 2wn2 n THR 41 Ca 0.04 -0.13 -0.25 0.00 -2.27 0.00 0.00 64.05 61.43 2wn2 n THR 41 Cb 0.28 0.85 -0.17 0.00 -2.10 0.00 0.00 70.33 69.19 2wn2 n THR 41 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2wn2 s ASN 42 N -2.67 1.90 0.29 3.42 3.84 -1.17 -5.02 114.94 115.53 2wn2 s ASN 42 Ca 0.17 -0.23 0.26 0.00 0.21 0.00 0.00 52.86 53.26 2wn2 s ASN 42 Cb 0.18 -0.70 0.93 0.00 -0.55 0.00 0.00 41.25 41.11 2wn2 s ASN 42 CO 0.64 -0.12 1.76 0.71 -2.79 0.00 0.00 177.10 177.30 2wn2 h THR 43 N 6.20 0.00 0.00 -5.21 1.35 -1.88 -3.34 112.91 110.02 2wn2 h THR 43 Ca -0.28 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 2wn2 h THR 43 Cb 1.13 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 2wn2 h THR 43 CO 0.38 0.00 0.00 0.16 -0.25 0.00 0.00 175.52 175.81 2wn2 h ILE 44 N 0.00 0.00 -0.00 6.82 3.07 -1.95 -2.57 117.51 122.87 2wn2 h ILE 44 Ca 0.00 -0.68 0.00 0.00 1.55 0.00 0.00 64.86 65.73 2wn2 h ILE 44 Cb 0.54 1.65 0.00 0.00 -0.27 0.00 0.00 36.82 38.74 2wn2 h ILE 44 CO 0.00 0.00 -0.00 -0.90 -1.05 0.00 0.00 178.15 176.20 2wn2 n ASP 45 N -2.81 0.47 0.00 2.16 5.75 -1.26 -4.92 116.55 115.95 2wn2 n ASP 45 Ca 0.03 -1.16 0.00 0.00 -0.01 0.00 0.00 54.79 53.66 2wn2 n ASP 45 Cb 0.42 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 2wn2 n ASP 45 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wn2 n GLY 46 N 1.06 -0.24 3.90 6.12 0.00 -0.97 -4.85 105.19 110.21 2wn2 n GLY 46 Ca 0.22 -1.13 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 2wn2 n GLY 46 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wn2 s SER 47 N -4.00 6.50 -1.31 1.61 1.04 -0.77 -4.97 113.70 111.79 2wn2 s SER 47 Ca 0.00 0.71 -0.07 0.00 0.48 0.00 0.00 55.95 57.07 2wn2 s SER 47 Cb 0.00 -2.14 0.13 0.00 0.10 0.00 0.00 66.02 64.11 2wn2 s SER 47 CO 0.00 -0.09 2.21 -0.62 0.98 0.00 0.00 173.24 175.72 2wn2 n GLU 48 N -0.47 4.24 0.00 4.02 1.02 -1.26 -4.80 120.64 123.39 2wn2 n GLU 48 Ca -0.02 -3.47 0.00 0.00 -0.02 0.00 0.00 57.16 53.66 2wn2 n GLU 48 Cb 0.53 -2.74 0.00 0.00 -0.02 0.00 0.00 31.44 29.21 2wn2 n GLU 48 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wn2 n ALA 49 N 2.50 0.00 -2.53 0.62 0.00 -1.16 -1.43 120.51 118.51 2wn2 n ALA 49 Ca 0.55 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.57 2wn2 n ALA 49 Cb 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.71 2wn2 n ALA 49 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 2wn2 s TRP 50 N -2.00 3.49 -0.05 0.00 -0.00 -0.40 -4.47 118.94 115.50 2wn2 s TRP 50 Ca 0.00 1.43 0.03 0.00 -0.00 0.00 0.00 56.10 57.56 2wn2 s TRP 50 Cb 0.00 -3.32 0.00 0.00 -0.00 0.00 0.00 33.47 30.16 2wn2 s TRP 50 CO 0.00 -0.85 -0.15 0.00 -0.00 0.00 0.00 176.95 175.96 2wn2 s SER 52 N 0.31 3.98 -0.14 0.00 1.04 -0.75 -0.50 113.70 117.64 2wn2 s SER 52 Ca -0.09 1.37 0.16 0.00 0.48 0.00 0.00 55.95 57.87 2wn2 s SER 52 Cb -0.13 -2.07 -0.24 0.00 0.10 0.00 0.00 66.02 63.67 2wn2 s SER 52 CO 0.03 -2.30 0.30 -1.54 0.98 0.00 0.00 173.24 170.71 2wn2 n SER 53 N -3.65 0.36 -4.69 7.02 3.41 -1.26 -3.38 113.62 111.43 2wn2 n SER 53 Ca 0.07 0.16 -0.35 0.00 -0.26 0.00 0.00 58.87 58.49 2wn2 n SER 53 Cb 0.56 0.57 -0.09 0.00 -0.26 0.00 0.00 64.21 64.99 2wn2 n SER 53 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2wn2 s ILE 54 N -2.53 4.74 -0.65 -1.33 1.01 -1.26 -4.93 121.20 116.25 2wn2 s ILE 54 Ca -0.08 -0.07 -0.06 0.00 0.00 0.00 0.00 60.65 60.44 2wn2 s ILE 54 Cb 0.07 -3.08 0.17 0.00 0.01 0.00 0.00 42.46 39.63 2wn2 s ILE 54 CO 0.83 0.54 0.50 -0.69 0.00 0.00 0.00 174.94 176.12 2wn2 s VAL 55 N -0.31 4.20 0.15 2.92 1.01 -1.26 -4.88 120.40 122.23 2wn2 s VAL 55 Ca 0.08 -2.70 -0.04 0.00 0.00 0.00 0.00 61.98 59.32 2wn2 s VAL 55 Cb -0.12 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.58 2wn2 s VAL 55 CO 0.02 -0.90 0.28 -0.90 0.00 0.00 0.00 175.10 173.60 2wn2 n ASP 56 N 3.78 -0.80 -0.95 3.32 5.68 -1.26 -5.04 116.55 121.27 2wn2 n ASP 56 Ca 0.07 -1.66 0.06 0.00 -0.50 0.00 0.00 54.79 52.76 2wn2 n ASP 56 Cb 0.40 1.37 0.20 0.00 -1.14 0.00 0.00 41.12 41.95 2wn2 n ASP 56 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2wn2 n THR 57 N -0.22 0.90 -0.35 2.12 -2.24 -1.26 -3.86 114.28 109.38 2wn2 n THR 57 Ca -0.02 -0.63 0.09 0.00 -2.27 0.00 0.00 64.05 61.21 2wn2 n THR 57 Cb 0.23 0.05 0.25 0.00 -2.10 0.00 0.00 70.33 68.76 2wn2 n THR 57 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2wn2 n ASN 58 N 0.59 3.61 -4.93 3.42 3.02 -1.26 -4.87 115.26 114.83 2wn2 n ASN 58 Ca 0.14 -2.11 -0.25 0.00 -0.03 0.00 0.00 54.58 52.33 2wn2 n ASN 58 Cb 0.50 -0.39 0.01 0.00 -0.61 0.00 0.00 39.78 39.29 2wn2 n ASN 58 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2wn2 s GLN 59 N -1.20 3.14 -0.13 3.52 -1.52 -1.25 -4.98 119.66 117.25 2wn2 s GLN 59 Ca 0.38 -0.16 -0.32 0.00 -1.95 0.00 0.00 55.36 53.31 2wn2 s GLN 59 Cb 0.21 -2.43 0.13 0.00 -0.22 0.00 0.00 33.01 30.70 2wn2 s GLN 59 CO 0.23 -0.38 1.07 1.52 -0.25 0.00 0.00 175.29 177.48 2wn2 s TYR 60 N -2.73 -0.24 -0.08 0.91 -0.85 -1.26 -3.84 117.35 109.27 2wn2 s TYR 60 Ca 0.50 0.22 0.04 0.00 -0.52 0.00 0.00 57.07 57.30 2wn2 s TYR 60 Cb -0.10 0.51 0.00 0.00 0.38 0.00 0.00 41.96 42.75 2wn2 s TYR 60 CO 0.42 -0.33 -0.20 -1.50 -1.52 0.00 0.00 175.55 172.42 2wn2 s ILE 61 N -2.33 1.69 -0.13 -3.49 2.07 -0.93 -1.30 121.20 116.78 2wn2 s ILE 61 Ca 0.06 -0.82 -0.02 0.00 -1.41 0.00 0.00 60.65 58.46 2wn2 s ILE 61 Cb -0.01 -1.47 -0.02 0.00 0.13 0.00 0.00 42.46 41.08 2wn2 s ILE 61 CO -0.05 0.48 -0.07 -0.69 -1.91 0.00 0.00 174.94 172.69 2wn2 s VAL 62 N 0.32 3.59 -0.21 4.00 1.01 0.62 -1.38 120.40 128.35 2wn2 s VAL 62 Ca -0.13 -0.47 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 2wn2 s VAL 62 Cb -0.16 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.66 2wn2 s VAL 62 CO 0.06 0.52 -0.00 0.00 0.00 0.00 0.00 175.10 175.67 2wn2 s ALA 63 N 0.20 2.99 -0.17 5.51 0.00 0.08 -1.39 121.76 128.97 2wn2 s ALA 63 Ca -0.04 -1.04 -0.00 0.00 0.00 0.00 0.00 51.96 50.87 2wn2 s ALA 63 Cb -0.14 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.19 2wn2 s ALA 63 CO 0.04 -0.25 -0.15 0.20 0.00 0.00 0.00 175.76 175.60 2wn2 s GLY 64 N 1.17 1.48 -0.06 0.00 0.00 0.25 -1.44 107.32 108.72 2wn2 s GLY 64 Ca 0.03 -1.09 0.03 0.00 0.00 0.00 0.00 44.72 43.69 2wn2 s GLY 64 CO 0.01 0.11 -0.14 0.00 0.00 0.00 0.00 173.10 173.09 2wn2 h GLU 66 N 5.47 0.00 -5.27 0.00 5.08 -1.87 -3.41 114.58 114.59 2wn2 h GLU 66 Ca -0.45 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.29 2wn2 h GLU 66 Cb 1.16 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.23 2wn2 h GLU 66 CO 0.51 0.20 -0.59 0.08 -1.00 0.00 0.00 179.01 178.20 2wn2 s VAL 67 N -3.12 4.52 0.51 3.13 1.01 -1.26 -5.05 120.40 120.14 2wn2 s VAL 67 Ca 0.05 -0.13 -0.23 0.00 0.00 0.00 0.00 61.98 61.67 2wn2 s VAL 67 Cb 0.06 -3.03 -0.07 0.00 0.00 0.00 0.00 36.38 33.35 2wn2 s VAL 67 CO 0.71 0.46 1.34 -2.65 0.00 0.00 0.00 175.10 174.96 2wn2 n PRO 68 N 3.60 1.82 -4.28 2.72 -0.02 -1.26 -4.83 135.00 132.75 2wn2 n PRO 68 Ca -0.17 0.66 -0.16 0.00 -2.02 0.00 0.00 63.50 61.81 2wn2 n PRO 68 Cb 0.52 -2.53 -0.10 0.00 -0.02 0.00 0.00 33.50 31.37 2wn2 n PRO 68 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2wn2 s ARG 69 N -2.66 1.15 -0.42 -0.52 1.81 -0.26 -4.97 118.95 113.09 2wn2 s ARG 69 Ca 0.68 -1.49 -0.12 0.00 -1.72 0.00 0.00 55.73 53.08 2wn2 s ARG 69 Cb -0.44 -0.82 0.05 0.00 -0.45 0.00 0.00 34.95 33.30 2wn2 s ARG 69 CO 0.53 0.12 0.28 0.99 -0.68 0.00 0.00 175.30 176.54 2wn2 s THR 70 N -3.13 4.73 -0.24 0.02 2.01 -1.26 -1.20 115.64 116.57 2wn2 s THR 70 Ca 0.18 -1.03 -0.25 0.00 0.31 0.00 0.00 61.69 60.90 2wn2 s THR 70 Cb 0.01 -3.76 -0.00 0.00 0.01 0.00 0.00 72.50 68.76 2wn2 s THR 70 CO 0.03 -0.41 0.83 -0.36 -0.69 0.00 0.00 174.62 174.02 2wn2 s PHE 71 N 1.56 3.31 -0.18 4.92 0.40 0.43 -1.48 117.98 126.94 2wn2 s PHE 71 Ca 0.03 1.14 0.08 0.00 -0.60 0.00 0.00 56.93 57.58 2wn2 s PHE 71 Cb -0.21 -3.05 -0.22 0.00 0.51 0.00 0.00 43.02 40.04 2wn2 s PHE 71 CO 0.06 -0.40 0.11 -1.33 0.70 0.00 0.00 175.22 174.36 2wn2 n MET 72 N 6.00 0.68 -3.59 0.44 2.81 0.35 -1.61 117.12 122.19 2wn2 n MET 72 Ca 0.06 0.13 -0.17 0.00 -1.81 0.00 0.00 57.70 55.91 2wn2 n MET 72 Cb 0.48 -1.59 -0.07 0.00 -0.71 0.00 0.00 33.22 31.32 2wn2 n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wn2 s VAL 74 N -1.24 2.04 -0.16 0.00 0.11 -0.42 -1.15 120.40 119.59 2wn2 s VAL 74 Ca -0.12 -1.03 -0.05 0.00 -2.93 0.00 0.00 61.98 57.85 2wn2 s VAL 74 Cb -0.02 -1.74 -0.03 0.00 -1.53 0.00 0.00 36.38 33.06 2wn2 s VAL 74 CO 0.08 0.56 0.01 0.00 -3.33 0.00 0.00 175.10 172.42 2wn2 s ALA 75 N 0.09 3.22 0.10 1.54 0.00 -0.29 -0.13 121.76 126.28 2wn2 s ALA 75 Ca -0.11 -0.78 0.07 0.00 0.00 0.00 0.00 51.96 51.13 2wn2 s ALA 75 Cb -0.16 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.23 2wn2 s ALA 75 CO 0.06 0.26 -0.09 -1.17 0.00 0.00 0.00 175.76 174.82 2wn2 s LEU 76 N 0.17 3.06 -0.00 0.00 2.96 -0.80 -1.52 118.68 122.54 2wn2 s LEU 76 Ca 0.01 -0.36 -0.12 0.00 -0.22 0.00 0.00 54.13 53.44 2wn2 s LEU 76 Cb -0.13 -1.85 0.02 0.00 0.50 0.00 0.00 46.19 44.73 2wn2 s LEU 76 CO 0.02 0.18 0.25 -1.58 -1.32 0.00 0.00 176.35 173.90 2wn2 s GLN 77 N -2.16 0.62 0.53 1.98 0.74 -0.20 -1.53 119.66 119.64 2wn2 s GLN 77 Ca 0.21 -0.28 -0.09 0.00 0.05 0.00 0.00 55.36 55.25 2wn2 s GLN 77 Cb -0.11 0.27 0.12 0.00 1.10 0.00 0.00 33.01 34.39 2wn2 s GLN 77 CO 0.13 -0.17 0.67 0.41 -0.55 0.00 0.00 175.29 175.79 2wn2 n GLY 78 N 1.28 -1.53 3.71 2.59 0.00 -0.78 -1.48 105.19 108.98 2wn2 n GLY 78 Ca -0.22 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 2wn2 n GLY 78 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wn2 s ARG 79 N -4.48 4.52 0.34 1.61 3.52 -0.13 -4.00 118.95 120.34 2wn2 s ARG 79 Ca 0.39 1.58 0.03 0.00 -0.13 0.00 0.00 55.73 57.60 2wn2 s ARG 79 Cb -0.01 -3.40 0.60 0.00 -1.56 0.00 0.00 34.95 30.58 2wn2 s ARG 79 CO 0.28 -0.10 1.90 0.78 -0.81 0.00 0.00 175.30 177.35 2wn2 h GLY 80 N 6.60 0.66 -0.55 8.12 0.00 -1.45 -3.33 103.07 113.12 2wn2 h GLY 80 Ca -0.42 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.56 2wn2 h GLY 80 CO 0.77 0.33 0.00 2.09 0.00 0.00 0.00 176.54 179.73 2wn2 n ASP 81 N -4.32 1.65 -3.79 0.19 5.75 -1.26 -4.97 116.55 109.81 2wn2 n ASP 81 Ca 0.03 -1.35 -0.10 0.00 -0.01 0.00 0.00 54.79 53.36 2wn2 n ASP 81 Cb 0.20 -0.01 -0.06 0.00 -1.03 0.00 0.00 41.12 40.22 2wn2 n ASP 81 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wn2 s ALA 82 N -0.59 -0.52 -1.46 2.12 0.00 -1.25 -5.05 121.76 115.00 2wn2 s ALA 82 Ca 0.08 -0.43 -0.13 0.00 0.00 0.00 0.00 51.96 51.49 2wn2 s ALA 82 Cb 0.06 0.70 0.04 0.00 0.00 0.00 0.00 23.12 23.91 2wn2 s ALA 82 CO 0.08 -0.63 2.28 -0.25 0.00 0.00 0.00 175.76 177.24 2wn2 n ASP 83 N -0.20 4.51 -3.89 0.00 8.00 -1.26 -4.47 116.55 119.23 2wn2 n ASP 83 Ca -0.13 -2.83 -0.19 0.00 0.71 0.00 0.00 54.79 52.34 2wn2 n ASP 83 Cb 0.63 -1.63 -0.16 0.00 -0.02 0.00 0.00 41.12 39.93 2wn2 n ASP 83 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2wn2 s GLN 84 N 2.84 0.77 0.08 -1.24 -0.21 -1.26 -4.39 119.66 116.26 2wn2 s GLN 84 Ca 0.49 -0.10 -0.26 0.00 0.02 0.00 0.00 55.36 55.51 2wn2 s GLN 84 Cb 0.14 -0.79 0.08 0.00 1.00 0.00 0.00 33.01 33.45 2wn2 s GLN 84 CO -0.08 -0.07 0.78 1.67 -2.12 0.00 0.00 175.29 175.47 2wn2 s TRP 85 N 0.86 -0.39 -0.25 0.91 -2.14 -0.85 -0.95 118.94 116.13 2wn2 s TRP 85 Ca -0.11 0.20 -0.10 0.00 2.66 0.00 0.00 56.10 58.74 2wn2 s TRP 85 Cb -0.14 0.56 -0.05 0.00 -3.10 0.00 0.00 33.47 30.74 2wn2 s TRP 85 CO 0.00 -0.72 0.16 0.08 -2.66 0.00 0.00 176.95 173.82 2wn2 s VAL 86 N -3.41 5.29 -0.14 -0.66 1.01 -1.25 -0.25 120.40 120.99 2wn2 s VAL 86 Ca 0.04 0.16 0.21 0.00 0.00 0.00 0.00 61.98 62.39 2wn2 s VAL 86 Cb -0.01 -3.48 -0.16 0.00 0.00 0.00 0.00 36.38 32.73 2wn2 s VAL 86 CO -0.09 0.32 0.75 0.35 0.00 0.00 0.00 175.10 176.43 2wn2 n THR 87 N 4.50 0.53 -3.48 3.92 -2.24 -0.17 -1.47 114.28 115.86 2wn2 n THR 87 Ca -0.15 -0.57 -0.16 0.00 -2.27 0.00 0.00 64.05 60.91 2wn2 n THR 87 Cb 0.52 -0.28 -0.04 0.00 -2.10 0.00 0.00 70.33 68.42 2wn2 n THR 87 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2wn2 s SER 88 N -5.13 -0.62 0.17 3.42 1.04 -1.14 -0.72 113.70 110.72 2wn2 s SER 88 Ca -0.04 0.43 -0.18 0.00 0.48 0.00 0.00 55.95 56.64 2wn2 s SER 88 Cb 0.11 0.56 0.04 0.00 0.10 0.00 0.00 66.02 66.83 2wn2 s SER 88 CO 0.84 -0.75 0.50 -0.72 0.98 0.00 0.00 173.24 174.09 2wn2 s TYR 89 N -2.21 -0.22 0.04 5.02 1.13 -0.54 -0.83 117.35 119.74 2wn2 s TYR 89 Ca -0.06 -0.09 0.02 0.00 -1.41 0.00 0.00 57.07 55.52 2wn2 s TYR 89 Cb -0.00 0.39 -0.04 0.00 -1.10 0.00 0.00 41.96 41.20 2wn2 s TYR 89 CO 0.01 -0.85 0.05 0.21 -2.51 0.00 0.00 175.55 172.46 2wn2 s LYS 90 N -3.83 2.87 -0.08 -3.49 2.20 0.18 0.10 119.74 117.68 2wn2 s LYS 90 Ca 0.06 -0.63 0.02 0.00 -0.36 0.00 0.00 55.97 55.06 2wn2 s LYS 90 Cb -0.00 -2.73 -0.02 0.00 -1.51 0.00 0.00 37.83 33.57 2wn2 s LYS 90 CO -0.07 0.60 -0.12 0.42 -0.36 0.00 0.00 175.35 175.82 2wn2 s ILE 91 N -1.25 3.20 0.06 5.43 -1.09 -1.26 -0.90 121.20 125.38 2wn2 s ILE 91 Ca 0.25 -0.65 0.02 0.00 -2.23 0.00 0.00 60.65 58.03 2wn2 s ILE 91 Cb -0.12 -2.29 -0.03 0.00 -1.58 0.00 0.00 42.46 38.44 2wn2 s ILE 91 CO 0.16 0.57 -0.07 -0.13 -1.23 0.00 0.00 174.94 174.24 2wn2 s ARG 92 N -0.39 0.61 0.25 2.79 0.52 -0.85 -0.67 118.95 121.21 2wn2 s ARG 92 Ca 0.05 -0.93 -0.19 0.00 -0.52 0.00 0.00 55.73 54.14 2wn2 s ARG 92 Cb -0.12 -0.23 0.02 0.00 0.52 0.00 0.00 34.95 35.13 2wn2 s ARG 92 CO 0.02 0.02 0.62 1.52 0.02 0.00 0.00 175.30 177.51 2wn2 s TYR 93 N -2.10 -0.09 -0.14 -0.53 -0.85 -0.18 -0.45 117.35 113.01 2wn2 s TYR 93 Ca -0.04 -0.31 -0.12 0.00 -0.52 0.00 0.00 57.07 56.09 2wn2 s TYR 93 Cb -0.05 0.53 0.04 0.00 0.38 0.00 0.00 41.96 42.86 2wn2 s TYR 93 CO -0.01 -1.10 0.37 0.45 -1.52 0.00 0.00 175.55 173.74 2wn2 s SER 94 N -2.92 -0.40 -0.19 -0.18 0.15 -0.23 -0.82 113.70 109.10 2wn2 s SER 94 Ca 0.12 0.76 -0.15 0.00 0.70 0.00 0.00 55.95 57.39 2wn2 s SER 94 Cb -0.04 0.74 -0.20 0.00 -1.71 0.00 0.00 66.02 64.81 2wn2 s SER 94 CO 0.04 -0.14 0.17 -0.11 1.20 0.00 0.00 173.24 174.40 2wn2 n LEU 95 N 3.20 2.18 -0.30 3.45 7.94 -1.26 -0.75 117.00 131.46 2wn2 n LEU 95 Ca -0.16 0.32 0.13 0.00 -1.11 0.00 0.00 56.01 55.19 2wn2 n LEU 95 Cb 0.57 -1.00 0.46 0.00 0.53 0.00 0.00 43.42 43.98 2wn2 n LEU 95 CO 0.13 0.53 0.75 -0.90 -1.11 0.00 0.00 177.39 176.79 2wn2 n ASP 96 N -4.05 1.10 -2.02 1.96 5.75 -1.26 -4.14 116.55 113.89 2wn2 n ASP 96 Ca -0.36 -1.05 -0.21 0.00 -0.01 0.00 0.00 54.79 53.17 2wn2 n ASP 96 Cb 0.84 0.07 -0.05 0.00 -1.03 0.00 0.00 41.12 40.95 2wn2 n ASP 96 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2wn2 n ASN 97 N -0.43 -5.71 0.03 -1.12 5.03 -1.26 -4.82 115.26 106.97 2wn2 n ASN 97 Ca 0.15 0.22 -0.00 0.00 0.87 0.00 0.00 54.58 55.81 2wn2 n ASN 97 Cb 0.34 -4.86 -0.00 0.00 -1.02 0.00 0.00 39.78 34.24 2wn2 n ASN 97 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 2wn2 n VAL 98 N -3.29 0.84 -3.74 2.41 0.31 -1.26 -5.03 118.33 108.57 2wn2 n VAL 98 Ca -0.23 0.26 -0.36 0.00 -0.01 0.00 0.00 64.34 64.01 2wn2 n VAL 98 Cb 0.68 -1.58 -0.07 0.00 -0.91 0.00 0.00 33.84 31.97 2wn2 n VAL 98 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2wn2 s SER 99 N -5.68 6.31 0.14 4.52 0.01 -1.26 -5.10 113.70 112.63 2wn2 s SER 99 Ca -0.01 0.36 0.06 0.00 1.31 0.00 0.00 55.95 57.67 2wn2 s SER 99 Cb 0.00 -2.10 -0.04 0.00 0.21 0.00 0.00 66.02 64.09 2wn2 s SER 99 CO 0.01 0.24 0.04 0.26 0.41 0.00 0.00 173.24 174.20 2wn2 s TRP 100 N -0.06 3.00 0.09 2.43 0.52 -1.26 -4.32 118.94 119.33 2wn2 s TRP 100 Ca 0.12 -0.05 0.03 0.00 0.02 0.00 0.00 56.10 56.22 2wn2 s TRP 100 Cb -0.12 -1.48 -0.03 0.00 -1.15 0.00 0.00 33.47 30.68 2wn2 s TRP 100 CO 0.01 0.51 -0.10 -0.06 0.02 0.00 0.00 176.95 177.33 2wn2 s PHE 101 N -1.58 1.00 -0.20 -1.98 0.40 -0.00 -4.97 117.98 110.66 2wn2 s PHE 101 Ca 0.28 -0.66 -0.08 0.00 -0.60 0.00 0.00 56.93 55.87 2wn2 s PHE 101 Cb -0.10 -0.56 -0.04 0.00 0.51 0.00 0.00 43.02 42.83 2wn2 s PHE 101 CO 0.20 -0.02 0.09 -1.21 0.70 0.00 0.00 175.22 174.98 2wn2 s GLU 102 N -2.71 3.99 0.31 0.44 2.02 -1.26 -1.01 118.70 120.48 2wn2 s GLU 102 Ca 0.04 -0.33 -0.30 0.00 0.02 0.00 0.00 54.97 54.41 2wn2 s GLU 102 Cb -0.03 -3.30 -0.11 0.00 0.10 0.00 0.00 34.13 30.78 2wn2 s GLU 102 CO -0.00 0.21 1.59 -0.47 0.02 0.00 0.00 175.26 176.60 2wn2 s TYR 103 N 0.58 2.70 -1.23 1.61 6.14 0.16 -2.17 117.35 125.13 2wn2 s TYR 103 Ca 0.05 0.83 -0.05 0.00 0.64 0.00 0.00 57.07 58.54 2wn2 s TYR 103 Cb -0.13 -4.08 0.03 0.00 0.42 0.00 0.00 41.96 38.20 2wn2 s TYR 103 CO 0.01 -3.57 0.30 0.54 0.64 0.00 0.00 175.55 173.47 2wn2 n ARG 104 N 1.85 -3.10 -2.79 4.97 1.74 -1.26 -0.42 116.66 117.65 2wn2 n ARG 104 Ca 0.07 0.59 -0.19 0.00 -0.77 0.00 0.00 57.85 57.55 2wn2 n ARG 104 Cb 0.37 -5.27 0.00 0.00 -1.02 0.00 0.00 32.46 26.54 2wn2 n ARG 104 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wn2 n ASN 105 N -2.12 -4.68 0.00 0.55 3.02 -0.92 -1.81 115.26 109.30 2wn2 n ASN 105 Ca -0.09 -0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 2wn2 n ASN 105 Cb 0.58 -3.89 0.00 0.00 -0.61 0.00 0.00 39.78 35.87 2wn2 n ASN 105 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wn2 n GLY 106 N -1.09 0.75 3.73 7.41 0.00 0.44 -5.01 105.19 111.42 2wn2 n GLY 106 Ca -0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 2wn2 n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wn2 s ALA 107 N -2.54 2.20 0.16 4.61 0.00 -0.75 -4.88 121.76 120.56 2wn2 s ALA 107 Ca 0.00 0.79 -0.30 0.00 0.00 0.00 0.00 51.96 52.45 2wn2 s ALA 107 Cb 0.00 -3.43 -0.07 0.00 0.00 0.00 0.00 23.12 19.62 2wn2 s ALA 107 CO 0.00 -1.72 1.10 0.00 0.00 0.00 0.00 175.76 175.14 2wn2 s ALA 108 N -2.08 3.36 -0.05 0.00 0.00 -1.26 -4.66 121.76 117.08 2wn2 s ALA 108 Ca 0.72 0.80 -0.10 0.00 0.00 0.00 0.00 51.96 53.39 2wn2 s ALA 108 Cb -0.27 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 2wn2 s ALA 108 CO 0.44 -0.23 0.26 0.08 0.00 0.00 0.00 175.76 176.32 2wn2 s VAL 109 N -0.08 5.30 -0.02 0.00 1.01 0.11 -4.91 120.40 121.81 2wn2 s VAL 109 Ca 0.50 0.42 -0.30 0.00 0.00 0.00 0.00 61.98 62.60 2wn2 s VAL 109 Cb -0.29 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 2wn2 s VAL 109 CO 0.34 0.55 1.40 -0.89 0.00 0.00 0.00 175.10 176.50 2wn2 s THR 110 N -1.11 3.76 0.00 3.92 2.01 -1.26 -1.46 115.64 121.50 2wn2 s THR 110 Ca 0.21 1.12 0.00 0.00 0.31 0.00 0.00 61.69 63.33 2wn2 s THR 110 Cb -0.14 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.65 2wn2 s THR 110 CO 0.10 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.62 2wn2 n GLY 111 N 3.66 1.46 3.83 4.40 0.00 0.10 -4.91 105.19 113.72 2wn2 n GLY 111 Ca 0.13 -1.58 -0.23 0.00 0.00 0.00 0.00 46.02 44.34 2wn2 n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wn2 s VAL 112 N 2.71 2.37 0.00 1.61 -7.23 -0.54 -4.85 120.40 114.46 2wn2 s VAL 112 Ca 0.00 -1.50 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 2wn2 s VAL 112 Cb 0.00 -2.87 0.00 0.00 0.56 0.00 0.00 36.38 34.07 2wn2 s VAL 112 CO 0.00 0.00 0.69 0.35 -0.31 0.00 0.00 175.10 175.83 2wn2 n THR 113 N -1.47 0.47 -3.39 5.32 -2.24 -1.26 -4.21 114.28 107.49 2wn2 n THR 113 Ca 0.01 -0.53 -0.04 0.00 -2.27 0.00 0.00 64.05 61.22 2wn2 n THR 113 Cb 0.63 0.85 0.01 0.00 -2.10 0.00 0.00 70.33 69.73 2wn2 n THR 113 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2wn2 n ASP 114 N -0.23 -1.05 -0.04 3.42 5.68 -1.26 -5.08 116.55 117.98 2wn2 n ASP 114 Ca 0.00 -1.72 -0.14 0.00 -0.50 0.00 0.00 54.79 52.43 2wn2 n ASP 114 Cb 0.30 1.75 -0.08 0.00 -1.14 0.00 0.00 41.12 41.95 2wn2 n ASP 114 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2wn2 h ARG 115 N 0.00 0.40 0.00 0.11 3.08 -1.88 -3.33 114.38 112.76 2wn2 h ARG 115 Ca -0.15 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.62 2wn2 h ARG 115 Cb 0.58 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2wn2 h ARG 115 CO 0.20 0.88 -0.69 0.09 -1.07 0.00 0.00 179.97 179.38 2wn2 n ASN 116 N -4.43 2.96 -4.64 7.04 3.02 -1.26 -1.86 115.26 116.09 2wn2 n ASN 116 Ca -0.07 -0.20 -0.43 0.00 -0.03 0.00 0.00 54.58 53.85 2wn2 n ASN 116 Cb 0.46 1.04 -0.02 0.00 -0.61 0.00 0.00 39.78 40.65 2wn2 n ASN 116 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2wn2 s THR 117 N -1.73 4.48 0.22 3.41 2.01 -1.26 -4.86 115.64 117.90 2wn2 s THR 117 Ca -0.00 1.71 -0.30 0.00 0.31 0.00 0.00 61.69 63.42 2wn2 s THR 117 Cb 0.01 -4.36 -0.08 0.00 0.01 0.00 0.00 72.50 68.07 2wn2 s THR 117 CO 0.06 -0.44 1.12 -0.69 -0.69 0.00 0.00 174.62 173.98 2wn2 s VAL 118 N 3.68 3.66 -0.25 3.82 1.01 -1.26 -4.72 120.40 126.34 2wn2 s VAL 118 Ca 0.47 1.51 0.00 0.00 0.00 0.00 0.00 61.98 63.96 2wn2 s VAL 118 Cb -0.13 -3.96 0.04 0.00 0.00 0.00 0.00 36.38 32.32 2wn2 s VAL 118 CO 0.15 0.30 -0.09 -0.69 0.00 0.00 0.00 175.10 174.77 2wn2 s VAL 119 N -0.56 2.55 0.07 2.92 1.01 -0.58 -4.99 120.40 120.82 2wn2 s VAL 119 Ca 0.48 -1.23 -0.23 0.00 0.00 0.00 0.00 61.98 61.00 2wn2 s VAL 119 Cb -0.31 -2.34 -0.06 0.00 0.00 0.00 0.00 36.38 33.67 2wn2 s VAL 119 CO 0.38 0.15 0.69 0.20 0.00 0.00 0.00 175.10 176.52 2wn2 s ASN 120 N 1.25 7.17 -0.22 3.32 0.01 -1.26 -1.91 114.94 123.30 2wn2 s ASN 120 Ca -0.02 1.39 0.02 0.00 -0.71 0.00 0.00 52.86 53.54 2wn2 s ASN 120 Cb -0.17 -2.43 0.04 0.00 0.41 0.00 0.00 41.25 39.09 2wn2 s ASN 120 CO -0.06 0.12 -0.15 -2.28 -1.51 0.00 0.00 177.10 173.23 2wn2 s HIS 121 N -0.51 2.93 -0.17 2.20 5.65 0.81 -4.99 115.29 121.21 2wn2 s HIS 121 Ca 0.34 -1.92 -0.25 0.00 0.25 0.00 0.00 55.06 53.49 2wn2 s HIS 121 Cb -0.20 -1.88 -0.02 0.00 -1.18 0.00 0.00 32.58 29.30 2wn2 s HIS 121 CO 0.22 -0.83 0.80 -0.06 -0.65 0.00 0.00 174.74 174.22 2wn2 s PHE 122 N 1.23 3.42 0.38 3.88 0.40 -1.26 -1.30 117.98 124.72 2wn2 s PHE 122 Ca -0.02 1.21 -0.28 0.00 -0.60 0.00 0.00 56.93 57.25 2wn2 s PHE 122 Cb -0.16 -2.98 -0.10 0.00 0.51 0.00 0.00 43.02 40.29 2wn2 s PHE 122 CO -0.09 -0.22 1.40 -0.06 0.70 0.00 0.00 175.22 176.95 2wn2 s PHE 123 N 2.06 2.74 0.22 0.36 0.40 -0.65 -4.88 117.98 118.23 2wn2 s PHE 123 Ca 0.37 1.29 -0.14 0.00 -0.60 0.00 0.00 56.93 57.85 2wn2 s PHE 123 Cb -0.16 -3.86 0.27 0.00 0.51 0.00 0.00 43.02 39.77 2wn2 s PHE 123 CO 0.12 -2.52 1.60 -0.44 0.70 0.00 0.00 175.22 174.68 2wn2 h ASP 124 N 2.99 -0.83 -4.42 1.36 3.45 -1.95 -3.36 116.42 113.66 2wn2 h ASP 124 Ca -0.50 0.23 -0.67 0.00 0.43 0.00 0.00 57.03 56.52 2wn2 h ASP 124 Cb 1.24 0.50 -0.30 0.00 -0.56 0.00 0.00 39.33 40.21 2wn2 h ASP 124 CO 0.64 -0.26 -0.88 -0.89 -1.57 0.00 0.00 179.24 176.28 2wn2 s THR 125 N -6.18 1.91 0.33 0.35 2.01 -1.26 -5.12 115.64 107.68 2wn2 s THR 125 Ca -0.14 -1.02 -0.28 0.00 0.31 0.00 0.00 61.69 60.55 2wn2 s THR 125 Cb 0.20 -1.59 -0.13 0.00 0.01 0.00 0.00 72.50 71.00 2wn2 s THR 125 CO 0.74 0.54 1.25 -2.65 -0.69 0.00 0.00 174.62 173.81 2wn2 n PRO 126 N 2.60 2.01 -3.67 4.92 -0.02 -1.26 -4.94 135.00 134.63 2wn2 n PRO 126 Ca -0.16 0.70 -0.37 0.00 -2.02 0.00 0.00 63.50 61.65 2wn2 n PRO 126 Cb 0.52 -2.26 -0.11 0.00 -0.02 0.00 0.00 33.50 31.63 2wn2 n PRO 126 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2wn2 s ILE 127 N -1.03 5.06 -0.32 4.25 1.01 -0.63 -4.89 121.20 124.64 2wn2 s ILE 127 Ca 0.57 0.08 -0.21 0.00 0.00 0.00 0.00 60.65 61.08 2wn2 s ILE 127 Cb -0.59 -3.38 -0.00 0.00 0.01 0.00 0.00 42.46 38.49 2wn2 s ILE 127 CO 0.61 0.31 0.68 -0.60 0.00 0.00 0.00 174.94 175.94 2wn2 s ARG 128 N 1.47 3.85 0.17 2.79 6.06 -1.26 -0.43 118.95 131.60 2wn2 s ARG 128 Ca 0.07 0.31 -0.18 0.00 -2.50 0.00 0.00 55.73 53.42 2wn2 s ARG 128 Cb -0.15 -3.75 0.04 0.00 0.06 0.00 0.00 34.95 31.15 2wn2 s ARG 128 CO 0.07 -0.65 0.51 0.00 -2.50 0.00 0.00 175.30 172.73 2wn2 s ALA 129 N 2.75 -1.10 -0.24 6.12 0.00 -0.34 -4.50 121.76 124.44 2wn2 s ALA 129 Ca 0.27 -0.01 -0.07 0.00 0.00 0.00 0.00 51.96 52.15 2wn2 s ALA 129 Cb -0.14 0.82 -0.17 0.00 0.00 0.00 0.00 23.12 23.62 2wn2 s ALA 129 CO 0.13 -0.76 -0.13 0.54 0.00 0.00 0.00 175.76 175.55 2wn2 n ARG 130 N -0.32 0.64 -4.45 0.00 1.74 0.07 -1.10 116.66 113.24 2wn2 n ARG 130 Ca -0.13 0.25 -0.24 0.00 -0.77 0.00 0.00 57.85 56.96 2wn2 n ARG 130 Cb 0.63 -1.57 -0.13 0.00 -1.02 0.00 0.00 32.46 30.37 2wn2 n ARG 130 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2wn2 s SER 131 N -6.95 2.40 -0.03 0.55 0.01 -0.71 -0.38 113.70 108.59 2wn2 s SER 131 Ca -0.34 -0.59 -0.07 0.00 1.31 0.00 0.00 55.95 56.26 2wn2 s SER 131 Cb 0.10 -0.16 0.01 0.00 0.21 0.00 0.00 66.02 66.18 2wn2 s SER 131 CO 0.59 0.10 0.16 -0.51 0.41 0.00 0.00 173.24 173.99 2wn2 s ILE 132 N -0.98 0.04 -0.00 1.44 2.07 -0.52 -1.07 121.20 122.18 2wn2 s ILE 132 Ca 0.06 -0.37 0.01 0.00 -1.41 0.00 0.00 60.65 58.95 2wn2 s ILE 132 Cb -0.09 -0.36 -0.00 0.00 0.13 0.00 0.00 42.46 42.13 2wn2 s ILE 132 CO 0.03 -0.20 -0.04 0.00 -1.91 0.00 0.00 174.94 172.81 2wn2 s ALA 133 N -0.71 0.35 -0.25 1.50 0.00 0.40 -0.74 121.76 122.31 2wn2 s ALA 133 Ca -0.08 -0.19 -0.13 0.00 0.00 0.00 0.00 51.96 51.56 2wn2 s ALA 133 Cb -0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 2wn2 s ALA 133 CO 0.01 0.08 0.29 0.42 0.00 0.00 0.00 175.76 176.56 2wn2 s ILE 134 N -0.11 5.25 -0.36 0.00 1.01 -0.48 -2.00 121.20 124.50 2wn2 s ILE 134 Ca 0.01 0.42 0.00 0.00 0.00 0.00 0.00 60.65 61.08 2wn2 s ILE 134 Cb -0.02 -3.62 0.10 0.00 0.01 0.00 0.00 42.46 38.93 2wn2 s ILE 134 CO -0.00 0.23 0.11 -1.00 0.00 0.00 0.00 174.94 174.28 2wn2 s HIS 135 N 1.66 3.61 0.25 3.97 3.76 -0.08 -2.18 115.29 126.28 2wn2 s HIS 135 Ca 0.12 -2.58 -0.30 0.00 -0.15 0.00 0.00 55.06 52.14 2wn2 s HIS 135 Cb -0.15 -2.94 -0.11 0.00 1.11 0.00 0.00 32.58 30.49 2wn2 s HIS 135 CO 0.09 -0.94 1.57 -2.14 -0.85 0.00 0.00 174.74 172.46 2wn2 s PRO 136 N 1.06 4.17 -0.17 8.40 0.02 -1.25 -0.65 135.00 146.58 2wn2 s PRO 136 Ca 0.07 2.48 -0.00 0.00 0.02 0.00 0.00 61.00 63.56 2wn2 s PRO 136 Cb -0.21 -3.07 -0.11 0.00 0.02 0.00 0.00 34.50 31.13 2wn2 s PRO 136 CO -0.05 -0.59 -0.17 1.28 -0.33 0.00 0.00 177.00 177.14 2wn2 n LEU 137 N 2.74 2.72 -4.10 -5.54 4.77 -0.01 -4.68 117.00 112.90 2wn2 n LEU 137 Ca 0.10 -0.04 -0.12 0.00 -0.03 0.00 0.00 56.01 55.92 2wn2 n LEU 137 Cb 0.38 -0.59 -0.11 0.00 -2.33 0.00 0.00 43.42 40.77 2wn2 n LEU 137 CO 0.63 0.73 -0.39 0.42 -1.33 0.00 0.00 177.39 177.44 2wn2 s THR 138 N -2.34 0.56 0.14 -5.08 -4.23 -0.95 -4.89 115.64 98.85 2wn2 s THR 138 Ca -0.24 -1.44 -0.16 0.00 -1.18 0.00 0.00 61.69 58.67 2wn2 s THR 138 Cb 0.07 -1.06 0.03 0.00 1.34 0.00 0.00 72.50 72.88 2wn2 s THR 138 CO 0.39 -0.61 0.42 -1.66 -0.54 0.00 0.00 174.62 172.61 2wn2 s TRP 139 N -2.39 -0.14 -0.27 3.99 -2.14 -1.26 -1.00 118.94 115.73 2wn2 s TRP 139 Ca -0.01 -0.19 -0.05 0.00 2.66 0.00 0.00 56.10 58.51 2wn2 s TRP 139 Cb -0.03 0.26 0.00 0.00 -3.10 0.00 0.00 33.47 30.60 2wn2 s TRP 139 CO -0.02 -0.75 0.03 1.21 -2.66 0.00 0.00 176.95 174.76 2wn2 s ASN 140 N -2.83 4.83 0.00 -2.66 2.47 0.65 -4.84 114.94 112.56 2wn2 s ASN 140 Ca 0.05 -0.61 0.00 0.00 0.42 0.00 0.00 52.86 52.72 2wn2 s ASN 140 Cb 0.01 -1.82 0.00 0.00 -1.45 0.00 0.00 41.25 37.99 2wn2 s ASN 140 CO -0.09 -0.13 0.00 0.61 -3.72 0.00 0.00 177.10 173.77 2wn2 n GLY 141 N 4.83 1.84 3.58 1.21 0.00 -1.26 -2.00 105.19 113.38 2wn2 n GLY 141 Ca -0.16 -0.19 -0.08 0.00 0.00 0.00 0.00 46.02 45.60 2wn2 n GLY 141 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wn2 s HIS 142 N 0.00 -0.32 -0.84 1.61 2.46 -1.26 -5.04 115.29 111.89 2wn2 s HIS 142 Ca 0.00 0.10 -0.24 0.00 0.47 0.00 0.00 55.06 55.39 2wn2 s HIS 142 Cb 0.00 0.58 0.05 0.00 -0.13 0.00 0.00 32.58 33.08 2wn2 s HIS 142 CO 0.00 -0.75 1.29 0.42 -2.47 0.00 0.00 174.74 173.23 2wn2 s ILE 143 N -3.38 3.94 -0.02 0.89 1.01 -1.26 -3.76 121.20 118.62 2wn2 s ILE 143 Ca 0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 60.65 60.47 2wn2 s ILE 143 Cb -0.02 -4.93 0.03 0.00 0.01 0.00 0.00 42.46 37.55 2wn2 s ILE 143 CO -0.06 -1.81 0.04 -0.44 0.00 0.00 0.00 174.94 172.67 2wn2 s SER 144 N 4.15 0.05 0.13 3.58 0.01 -1.26 -1.80 113.70 118.56 2wn2 s SER 144 Ca 0.37 0.06 -0.18 0.00 1.31 0.00 0.00 55.95 57.51 2wn2 s SER 144 Cb -0.06 -0.04 0.04 0.00 0.21 0.00 0.00 66.02 66.17 2wn2 s SER 144 CO 0.04 -0.12 0.45 -1.48 0.41 0.00 0.00 173.24 172.54 2wn2 s LEU 145 N 0.96 0.16 0.23 2.44 0.05 -0.25 -3.76 118.68 118.51 2wn2 s LEU 145 Ca -0.08 -0.23 0.10 0.00 0.05 0.00 0.00 54.13 53.97 2wn2 s LEU 145 Cb -0.11 2.02 -0.05 0.00 -2.05 0.00 0.00 46.19 46.00 2wn2 s LEU 145 CO -0.03 -0.87 -0.18 -0.13 -0.55 0.00 0.00 176.35 174.59 2wn2 s ARG 146 N -3.74 1.46 0.24 1.48 0.52 -0.55 -1.27 118.95 117.09 2wn2 s ARG 146 Ca 0.02 -1.63 -0.22 0.00 -0.52 0.00 0.00 55.73 53.38 2wn2 s ARG 146 Cb 0.01 -1.43 0.04 0.00 0.52 0.00 0.00 34.95 34.09 2wn2 s ARG 146 CO -0.12 0.26 0.71 0.00 0.02 0.00 0.00 175.30 176.17 2wn2 s GLU 148 N -3.82 0.77 -0.03 0.00 2.56 -0.57 -1.66 118.70 115.94 2wn2 s GLU 148 Ca 0.09 -0.37 0.07 0.00 0.00 0.00 0.00 54.97 54.75 2wn2 s GLU 148 Cb -0.04 0.34 -0.02 0.00 2.00 0.00 0.00 34.13 36.40 2wn2 s GLU 148 CO 0.01 -0.24 -0.22 -0.06 -0.56 0.00 0.00 175.26 174.20 2wn2 s PHE 149 N -2.07 2.45 -0.16 5.30 0.40 -1.26 -1.13 117.98 121.51 2wn2 s PHE 149 Ca -0.08 -0.37 0.01 0.00 -0.60 0.00 0.00 56.93 55.89 2wn2 s PHE 149 Cb -0.02 -1.55 0.01 0.00 0.51 0.00 0.00 43.02 41.97 2wn2 s PHE 149 CO -0.00 0.02 -0.20 0.71 0.70 0.00 0.00 175.22 176.45 2wn2 s TYR 150 N -0.62 2.73 0.23 0.36 1.51 -0.30 -1.45 117.35 119.82 2wn2 s TYR 150 Ca 0.10 -1.38 0.10 0.00 -1.01 0.00 0.00 57.07 54.88 2wn2 s TYR 150 Cb -0.10 -1.87 -0.05 0.00 -0.11 0.00 0.00 41.96 39.83 2wn2 s TYR 150 CO -0.00 -0.65 -0.19 0.95 -1.11 0.00 0.00 175.55 174.55 2wn2 s THR 151 N 0.99 2.17 0.62 -0.71 -4.23 -0.57 -0.50 115.64 113.42 2wn2 s THR 151 Ca -0.02 -2.24 -0.19 0.00 -1.18 0.00 0.00 61.69 58.06 2wn2 s THR 151 Cb -0.15 -2.15 -0.02 0.00 1.34 0.00 0.00 72.50 71.53 2wn2 s THR 151 CO -0.05 -0.41 1.28 -1.10 -0.54 0.00 0.00 174.62 173.80 2wn2 s GLN 152 N -3.35 2.71 0.36 3.99 -1.52 -0.55 -0.40 119.66 120.90 2wn2 s GLN 152 Ca 0.25 2.02 -0.28 0.00 -1.95 0.00 0.00 55.36 55.40 2wn2 s GLN 152 Cb -0.04 -1.90 -0.12 0.00 -0.22 0.00 0.00 33.01 30.73 2wn2 s GLN 152 CO 0.11 -1.47 1.32 -2.30 -0.25 0.00 0.00 175.29 172.71 2wn2 n PRO 153 N -1.75 2.21 -3.66 2.91 -0.02 -1.26 -4.70 135.00 128.73 2wn2 n PRO 153 Ca 0.15 0.78 -0.28 0.00 -2.02 0.00 0.00 63.50 62.13 2wn2 n PRO 153 Cb 0.48 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.53 2wn2 n PRO 153 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2wn2 s VAL 154 N -1.11 5.19 -0.00 -1.45 -7.23 -1.26 -5.01 120.40 109.52 2wn2 s VAL 154 Ca 0.56 -0.30 0.07 0.00 -1.81 0.00 0.00 61.98 60.50 2wn2 s VAL 154 Cb -0.54 -3.72 -0.03 0.00 0.56 0.00 0.00 36.38 32.65 2wn2 s VAL 154 CO 0.62 -0.17 -0.21 -1.10 -0.31 0.00 0.00 175.10 173.94 2wn2 s GLN 155 N -3.28 2.17 -0.09 4.82 -1.52 -1.26 -5.10 119.66 115.39 2wn2 s GLN 155 Ca 0.39 -0.90 0.04 0.00 -1.95 0.00 0.00 55.36 52.94 2wn2 s GLN 155 Cb -0.11 -2.16 -0.00 0.00 -0.22 0.00 0.00 33.01 30.52 2wn2 s GLN 155 CO 0.29 0.57 -0.24 0.45 -0.25 0.00 0.00 175.29 176.10 2wn2 s SER 156 N -0.93 3.11 0.18 5.90 0.15 -1.26 -5.02 113.70 115.84 2wn2 s SER 156 Ca 0.12 -0.54 0.11 0.00 0.70 0.00 0.00 55.95 56.34 2wn2 s SER 156 Cb -0.10 -1.26 -0.04 0.00 -1.71 0.00 0.00 66.02 62.91 2wn2 s SER 156 CO 0.01 0.18 -0.22 -0.94 1.20 0.00 0.00 173.24 173.48 2wn2 s SER 157 N 0.20 3.55 -0.07 5.45 1.04 -1.26 0.15 113.70 122.76 2wn2 s SER 157 Ca -0.14 -0.80 0.03 0.00 0.48 0.00 0.00 55.95 55.52 2wn2 s SER 157 Cb -0.17 -0.33 0.01 0.00 0.10 0.00 0.00 66.02 65.63 2wn2 s SER 157 CO 0.07 0.13 -0.16 -0.69 0.98 0.00 0.00 173.24 173.57 2wn2 s VAL 158 N -1.57 1.45 -0.02 5.02 1.01 -0.10 -4.99 120.40 121.20 2wn2 s VAL 158 Ca 0.20 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.58 2wn2 s VAL 158 Cb -0.08 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 2wn2 s VAL 158 CO 0.10 0.42 -0.21 -0.89 0.00 0.00 0.00 175.10 174.52 2wn2 s THR 159 N 0.47 1.69 -0.05 3.92 2.01 -1.26 -0.94 115.64 121.48 2wn2 s THR 159 Ca -0.14 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 60.97 2wn2 s THR 159 Cb -0.16 -1.41 0.01 0.00 0.01 0.00 0.00 72.50 70.95 2wn2 s THR 159 CO 0.05 0.48 -0.13 -1.10 -0.69 0.00 0.00 174.62 173.23 2wn2 s GLN 160 N -0.50 1.61 -0.12 4.92 -0.21 0.24 -4.99 119.66 120.61 2wn2 s GLN 160 Ca 0.08 -0.46 -0.03 0.00 0.02 0.00 0.00 55.36 54.97 2wn2 s GLN 160 Cb -0.08 -1.37 -0.03 0.00 1.00 0.00 0.00 33.01 32.52 2wn2 s GLN 160 CO -0.01 0.11 0.01 0.08 -2.12 0.00 0.00 175.29 173.36 2wn2 s VAL 161 N 0.37 4.34 0.01 1.09 1.01 -1.26 -0.90 120.40 125.06 2wn2 s VAL 161 Ca -0.09 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.71 2wn2 s VAL 161 Cb -0.13 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 2wn2 s VAL 161 CO 0.03 0.56 -0.12 -0.83 0.00 0.00 0.00 175.10 174.73 2wn2 s GLY 162 N -0.39 0.63 0.11 4.51 0.00 -0.68 -5.01 107.32 106.49 2wn2 s GLY 162 Ca 0.08 -0.60 0.07 0.00 0.00 0.00 0.00 44.72 44.26 2wn2 s GLY 162 CO 0.02 -0.54 -0.09 0.00 0.00 0.00 0.00 173.10 172.48 2wn2 s ALA 163 N -0.48 2.97 -1.02 3.20 0.00 -1.26 -0.48 121.76 124.70 2wn2 s ALA 163 Ca 0.03 -1.25 -0.03 0.00 0.00 0.00 0.00 51.96 50.71 2wn2 s ALA 163 Cb -0.06 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 22.16 2wn2 s ALA 163 CO 0.00 0.64 0.87 -0.25 0.00 0.00 0.00 175.76 177.02 2wn2 n ASP 164 N 0.66 -3.69 -4.71 0.00 8.00 -1.10 -4.96 116.55 110.75 2wn2 n ASP 164 Ca -0.13 -0.47 -0.42 0.00 0.71 0.00 0.00 54.79 54.48 2wn2 n ASP 164 Cb 0.52 -4.18 -0.03 0.00 -0.02 0.00 0.00 41.12 37.42 2wn2 n ASP 164 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2wn2 s ILE 165 N -3.27 3.97 0.01 0.53 -1.09 0.01 -4.84 121.20 116.52 2wn2 s ILE 165 Ca 0.22 1.41 0.03 0.00 -2.23 0.00 0.00 60.65 60.08 2wn2 s ILE 165 Cb -0.10 -3.90 -0.01 0.00 -1.58 0.00 0.00 42.46 36.87 2wn2 s ILE 165 CO 0.59 0.09 -0.09 -0.47 -1.23 0.00 0.00 174.94 173.83 2wn2 s TYR 166 N 1.24 0.76 0.17 3.97 5.04 -1.26 -1.74 117.35 125.52 2wn2 s TYR 166 Ca 0.59 -0.23 0.31 0.00 -2.44 0.00 0.00 57.07 55.30 2wn2 s TYR 166 Cb -0.30 -0.47 1.29 0.00 0.35 0.00 0.00 41.96 42.83 2wn2 s TYR 166 CO 0.28 -0.02 1.96 1.79 -1.34 0.00 0.00 175.55 178.23 2wn2 h THR 167 N 4.80 0.23 0.00 4.34 1.35 -1.73 -3.49 112.91 118.41 2wn2 h THR 167 Ca -0.32 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 2wn2 h THR 167 Cb 1.19 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 2wn2 h THR 167 CO 0.47 0.08 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 2wn2 n GLY 168 N -0.06 -0.39 3.78 5.82 0.00 -1.26 -4.77 105.19 108.31 2wn2 n GLY 168 Ca 0.00 -1.66 -0.36 0.00 0.00 0.00 0.00 46.02 44.00 2wn2 n GLY 168 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wn2 s ASP 169 N -2.20 6.11 -1.32 1.61 1.01 -1.26 -3.74 116.67 116.88 2wn2 s ASP 169 Ca 0.00 2.20 -0.17 0.00 0.71 0.00 0.00 52.55 55.30 2wn2 s ASP 169 Cb 0.00 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.35 2wn2 s ASP 169 CO 0.00 -0.95 0.48 -3.20 0.21 0.00 0.00 175.17 171.71 2wn2 n ASN 170 N -0.74 -2.30 -4.22 0.27 5.15 -0.86 -4.92 115.26 107.65 2wn2 n ASN 170 Ca 0.09 -1.19 -0.30 0.00 -0.60 0.00 0.00 54.58 52.58 2wn2 n ASN 170 Cb 0.49 -2.24 0.18 0.00 -0.53 0.00 0.00 39.78 37.68 2wn2 n ASN 170 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wn2 n ALA 172 N -3.85 1.27 1.02 0.00 0.00 -1.26 -0.94 120.51 116.75 2wn2 n ALA 172 Ca 0.14 0.14 0.10 0.00 0.00 0.00 0.00 53.44 53.82 2wn2 n ALA 172 Cb 0.60 -1.32 0.54 0.00 0.00 0.00 0.00 19.45 19.27 2wn2 n ALA 172 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wn2 n LEU 173 N -2.18 0.00 -0.80 0.00 4.77 -1.26 -3.14 117.00 114.40 2wn2 n LEU 173 Ca 0.00 0.26 0.10 0.00 -0.03 0.00 0.00 56.01 56.34 2wn2 n LEU 173 Cb 0.10 -0.26 0.27 0.00 -2.33 0.00 0.00 43.42 41.20 2wn2 n LEU 173 CO 0.12 -0.08 0.72 -3.20 -1.33 0.00 0.00 177.39 173.62 2wn2 n ASN 174 N -1.26 2.36 -4.17 -1.43 5.15 -0.12 -1.07 115.26 114.72 2wn2 n ASN 174 Ca 0.10 -1.88 -0.10 0.00 -0.60 0.00 0.00 54.58 52.10 2wn2 n ASN 174 Cb 0.16 -0.22 -0.10 0.00 -0.53 0.00 0.00 39.78 39.09 2wn2 n ASN 174 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2wn2 s THR 175 N -1.56 0.58 0.00 -0.44 -1.32 -1.19 -4.72 115.64 106.99 2wn2 s THR 175 Ca 0.33 -1.92 0.00 0.00 -1.21 0.00 0.00 61.69 58.89 2wn2 s THR 175 Cb 0.18 -1.76 0.00 0.00 -1.51 0.00 0.00 72.50 69.41 2wn2 s THR 175 CO 0.25 -0.80 0.00 0.61 -2.21 0.00 0.00 174.62 172.48 2wn2 n GLY 176 N -0.06 -2.79 3.37 6.08 0.00 -1.26 -5.00 105.19 105.54 2wn2 n GLY 176 Ca -0.11 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 44.08 2wn2 n GLY 176 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wn2 s SER 177 N -1.72 0.42 0.02 1.61 1.04 -1.26 -4.79 113.70 109.01 2wn2 s SER 177 Ca 0.00 -1.33 0.00 0.00 0.48 0.00 0.00 55.95 55.10 2wn2 s SER 177 Cb 0.00 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2wn2 s SER 177 CO 0.00 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 173.79 2wn2 n GLY 178 N -0.40 -2.17 3.68 7.32 0.00 0.31 -4.83 105.19 109.10 2wn2 n GLY 178 Ca 0.01 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 2wn2 n GLY 178 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wn2 n LYS 179 N -0.56 2.83 -4.16 1.61 3.00 -1.26 -3.76 118.16 115.86 2wn2 n LYS 179 Ca 0.00 1.03 -0.15 0.00 -0.00 0.00 0.00 58.31 59.19 2wn2 n LYS 179 Cb 0.01 -2.95 -0.14 0.00 0.00 0.00 0.00 35.03 31.95 2wn2 n LYS 179 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2wn2 s ARG 180 N 3.38 0.50 0.02 1.64 0.52 -0.68 -5.00 118.95 119.32 2wn2 s ARG 180 Ca 0.85 -0.37 0.02 0.00 -0.52 0.00 0.00 55.73 55.70 2wn2 s ARG 180 Cb -0.46 -0.42 -0.01 0.00 0.52 0.00 0.00 34.95 34.57 2wn2 s ARG 180 CO 0.39 0.11 -0.06 -1.21 0.02 0.00 0.00 175.30 174.55 2wn2 s GLU 181 N -0.56 0.45 -0.15 3.54 2.02 -1.26 -1.83 118.70 120.92 2wn2 s GLU 181 Ca -0.01 -0.42 0.01 0.00 0.02 0.00 0.00 54.97 54.57 2wn2 s GLU 181 Cb -0.04 -0.34 0.02 0.00 0.10 0.00 0.00 34.13 33.87 2wn2 s GLU 181 CO 0.00 0.08 -0.18 0.08 0.02 0.00 0.00 175.26 175.26 2wn2 s VAL 182 N -0.66 1.81 -0.19 2.63 1.01 0.29 -4.92 120.40 120.38 2wn2 s VAL 182 Ca -0.03 -0.80 -0.07 0.00 0.00 0.00 0.00 61.98 61.07 2wn2 s VAL 182 Cb -0.05 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 2wn2 s VAL 182 CO 0.00 0.50 0.06 -0.69 0.00 0.00 0.00 175.10 174.97 2wn2 s VAL 183 N 1.21 4.75 -0.25 2.92 1.01 -1.26 -1.29 120.40 127.49 2wn2 s VAL 183 Ca 0.01 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2wn2 s VAL 183 Cb -0.14 -3.15 0.06 0.00 0.00 0.00 0.00 36.38 33.16 2wn2 s VAL 183 CO -0.08 0.45 -0.08 -0.69 0.00 0.00 0.00 175.10 174.69 2wn2 s VAL 184 N 0.49 1.93 0.34 2.92 1.01 0.47 -4.96 120.40 122.60 2wn2 s VAL 184 Ca 0.03 -1.51 -0.28 0.00 0.00 0.00 0.00 61.98 60.21 2wn2 s VAL 184 Cb -0.13 -2.11 -0.10 0.00 0.00 0.00 0.00 36.38 34.04 2wn2 s VAL 184 CO 0.01 -0.08 1.30 -2.84 0.00 0.00 0.00 175.10 173.49 2wn2 s PRO 185 N 1.20 4.32 -0.09 2.72 0.02 -1.26 -0.73 135.00 141.18 2wn2 s PRO 185 Ca -0.07 2.20 0.03 0.00 0.02 0.00 0.00 61.00 63.18 2wn2 s PRO 185 Cb -0.20 -3.04 0.01 0.00 0.02 0.00 0.00 34.50 31.29 2wn2 s PRO 185 CO -0.06 -0.21 -0.19 0.08 -0.33 0.00 0.00 177.00 176.29 2wn2 s VAL 186 N -1.16 1.66 -0.15 3.83 1.01 0.45 -4.89 120.40 121.15 2wn2 s VAL 186 Ca 0.50 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 2wn2 s VAL 186 Cb -0.39 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 2wn2 s VAL 186 CO 0.52 0.47 -0.06 -0.54 0.00 0.00 0.00 175.10 175.49 2wn2 s LYS 187 N 0.55 3.58 0.64 2.72 1.02 -1.26 -1.56 119.74 125.43 2wn2 s LYS 187 Ca -0.16 -0.56 -0.17 0.00 0.02 0.00 0.00 55.97 55.10 2wn2 s LYS 187 Cb -0.17 -2.83 -0.01 0.00 -0.52 0.00 0.00 37.83 34.30 2wn2 s LYS 187 CO 0.05 0.25 1.17 -0.06 -0.92 0.00 0.00 175.35 175.84 2wn2 s PHE 188 N 0.32 2.40 0.26 3.18 0.08 -0.05 -4.92 117.98 119.26 2wn2 s PHE 188 Ca -0.06 1.55 -0.04 0.00 0.12 0.00 0.00 56.93 58.50 2wn2 s PHE 188 Cb -0.15 -3.37 0.32 0.00 -0.57 0.00 0.00 43.02 39.25 2wn2 s PHE 188 CO 0.04 -2.09 1.89 0.37 -0.10 0.00 0.00 175.22 175.33 2wn2 h GLN 189 N 0.42 1.13 -4.87 0.44 4.15 -1.96 -3.43 115.11 110.99 2wn2 h GLN 189 Ca -0.49 -0.12 -0.29 0.00 0.77 0.00 0.00 58.65 58.52 2wn2 h GLN 189 Cb 1.28 -0.23 -0.17 0.00 0.21 0.00 0.00 27.48 28.58 2wn2 h GLN 189 CO 0.54 0.83 -0.72 -0.59 -1.93 0.00 0.00 178.83 176.95 2wn2 s PHE 190 N -5.77 1.03 -0.01 3.99 -0.12 -1.26 -5.13 117.98 110.71 2wn2 s PHE 190 Ca -0.12 -0.74 -0.30 0.00 -0.05 0.00 0.00 56.93 55.72 2wn2 s PHE 190 Cb 0.17 -0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 41.96 2wn2 s PHE 190 CO 0.81 -0.03 1.09 -2.00 -0.05 0.00 0.00 175.22 175.04 2wn2 s GLU 191 N -3.20 4.46 0.61 1.99 2.12 -1.26 -4.91 118.70 118.51 2wn2 s GLU 191 Ca 0.09 1.57 -0.17 0.00 0.36 0.00 0.00 54.97 56.82 2wn2 s GLU 191 Cb 0.00 -3.46 -0.02 0.00 0.26 0.00 0.00 34.13 30.91 2wn2 s GLU 191 CO -0.01 -0.23 1.11 -0.06 -0.54 0.00 0.00 175.26 175.52 2wn2 s PHE 192 N 1.42 2.69 -0.13 5.30 0.08 -0.51 -4.96 117.98 121.88 2wn2 s PHE 192 Ca 0.54 1.54 0.16 0.00 0.12 0.00 0.00 56.93 59.29 2wn2 s PHE 192 Cb -0.24 -3.18 0.14 0.00 -0.57 0.00 0.00 43.02 39.17 2wn2 s PHE 192 CO 0.26 -1.57 1.48 0.00 -0.10 0.00 0.00 175.22 175.29 2wn2 h ALA 193 N 0.46 0.71 -2.52 5.36 0.00 -1.96 -3.46 119.26 117.86 2wn2 h ALA 193 Ca -0.48 -0.43 -0.20 0.00 0.00 0.00 0.00 54.91 53.80 2wn2 h ALA 193 Cb 1.25 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.81 2wn2 h ALA 193 CO 0.55 0.60 -0.60 0.95 0.00 0.00 0.00 179.25 180.75 2wn2 s THR 194 N -3.03 0.06 0.04 0.00 -4.23 -1.26 -5.11 115.64 102.10 2wn2 s THR 194 Ca 0.04 -1.90 -0.31 0.00 -1.18 0.00 0.00 61.69 58.34 2wn2 s THR 194 Cb 0.08 -2.22 -0.07 0.00 1.34 0.00 0.00 72.50 71.63 2wn2 s THR 194 CO 0.74 -0.25 1.48 -0.22 -0.54 0.00 0.00 174.62 175.82 2wn2 s LEU 195 N -3.09 4.34 0.49 4.79 2.96 -1.26 -4.79 118.68 122.12 2wn2 s LEU 195 Ca 0.30 2.27 -0.07 0.00 -0.22 0.00 0.00 54.13 56.41 2wn2 s LEU 195 Cb 0.07 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.15 2wn2 s LEU 195 CO 0.06 -0.76 0.83 -2.16 -1.32 0.00 0.00 176.35 173.00 2wn2 s PRO 196 N 2.23 3.60 0.12 0.98 0.04 -1.26 -4.67 135.00 136.03 2wn2 s PRO 196 Ca 0.67 0.35 -0.06 0.00 0.04 0.00 0.00 61.00 62.00 2wn2 s PRO 196 Cb -0.35 -2.32 -0.06 0.00 0.04 0.00 0.00 34.50 31.81 2wn2 s PRO 196 CO 0.29 -0.24 0.38 0.15 0.04 0.00 0.00 177.00 177.62 2wn2 s LYS 197 N -4.65 3.65 -0.08 4.56 1.02 -0.34 -4.89 119.74 119.01 2wn2 s LYS 197 Ca 0.49 -0.02 -0.00 0.00 0.02 0.00 0.00 55.97 56.46 2wn2 s LYS 197 Cb -0.10 -2.89 0.02 0.00 -0.52 0.00 0.00 37.83 34.34 2wn2 s LYS 197 CO 0.44 0.50 -0.06 0.08 -0.92 0.00 0.00 175.35 175.39 2wn2 s VAL 198 N -1.58 0.78 -0.05 3.17 1.01 -1.26 -1.36 120.40 121.10 2wn2 s VAL 198 Ca 0.38 -0.17 -0.14 0.00 0.00 0.00 0.00 61.98 62.05 2wn2 s VAL 198 Cb -0.13 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.39 2wn2 s VAL 198 CO 0.22 0.31 0.37 0.00 0.00 0.00 0.00 175.10 176.00 2wn2 s ALA 199 N 1.49 3.68 -0.23 5.51 0.00 0.36 -4.91 121.76 127.66 2wn2 s ALA 199 Ca -0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 51.96 51.62 2wn2 s ALA 199 Cb -0.13 -2.36 0.12 0.00 0.00 0.00 0.00 23.12 20.74 2wn2 s ALA 199 CO -0.04 0.40 0.31 -1.17 0.00 0.00 0.00 175.76 175.26 2wn2 s LEU 200 N -0.68 -0.41 0.08 0.00 2.96 -1.26 -0.85 118.68 118.51 2wn2 s LEU 200 Ca 0.22 -0.02 0.01 0.00 -0.22 0.00 0.00 54.13 54.12 2wn2 s LEU 200 Cb -0.15 0.80 -0.04 0.00 0.50 0.00 0.00 46.19 47.30 2wn2 s LEU 200 CO 0.11 -0.32 -0.06 0.20 -1.32 0.00 0.00 176.35 174.96 2wn2 s ASN 201 N 2.45 0.94 0.30 3.68 0.02 -0.85 -4.76 114.94 116.72 2wn2 s ASN 201 Ca 0.10 -0.90 -0.29 0.00 -1.02 0.00 0.00 52.86 50.75 2wn2 s ASN 201 Cb -0.15 0.10 -0.10 0.00 0.02 0.00 0.00 41.25 41.12 2wn2 s ASN 201 CO -0.16 -0.43 1.12 -0.36 0.02 0.00 0.00 177.10 177.28 2wn2 s PHE 202 N -3.18 3.50 0.00 2.20 0.40 -1.26 -1.86 117.98 117.78 2wn2 s PHE 202 Ca 0.06 1.67 0.00 0.00 -0.60 0.00 0.00 56.93 58.06 2wn2 s PHE 202 Cb 0.02 -3.31 0.00 0.00 0.51 0.00 0.00 43.02 40.24 2wn2 s PHE 202 CO -0.05 -0.69 0.00 -0.40 0.70 0.00 0.00 175.22 174.79 2wn2 n ASP 203 N 1.05 0.40 -3.69 1.36 5.75 -0.45 -4.85 116.55 116.11 2wn2 n ASP 203 Ca -0.01 -0.35 -0.10 0.00 -0.01 0.00 0.00 54.79 54.32 2wn2 n ASP 203 Cb 0.45 0.77 -0.11 0.00 -1.03 0.00 0.00 41.12 41.20 2wn2 n ASP 203 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 2wn2 s GLN 204 N -0.86 0.36 -0.07 0.11 0.74 -1.18 -4.98 119.66 113.79 2wn2 s GLN 204 Ca 0.00 0.79 0.01 0.00 0.05 0.00 0.00 55.36 56.22 2wn2 s GLN 204 Cb 0.00 0.01 0.02 0.00 1.10 0.00 0.00 33.01 34.13 2wn2 s GLN 204 CO 0.00 -0.17 -0.10 0.42 -0.55 0.00 0.00 175.29 174.89 2wn2 s ILE 205 N 1.56 1.00 -0.31 -2.34 1.01 -1.26 -1.26 121.20 119.60 2wn2 s ILE 205 Ca -0.08 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.17 2wn2 s ILE 205 Cb -0.09 -0.95 0.11 0.00 0.01 0.00 0.00 42.46 41.54 2wn2 s ILE 205 CO -0.12 0.33 0.15 -0.62 0.00 0.00 0.00 174.94 174.69 2wn2 s ASP 206 N 0.94 3.39 0.10 3.58 -1.08 -0.79 -5.03 116.67 117.76 2wn2 s ASP 206 Ca -0.10 -1.59 -0.11 0.00 -0.52 0.00 0.00 52.55 50.23 2wn2 s ASP 206 Cb -0.15 -0.39 0.01 0.00 -1.46 0.00 0.00 42.92 40.93 2wn2 s ASP 206 CO 0.01 -0.40 0.26 0.00 0.52 0.00 0.00 175.17 175.56 2wn2 s THR 208 N -3.72 4.19 0.82 0.00 2.01 0.11 -4.96 115.64 114.09 2wn2 s THR 208 Ca 0.03 -0.27 -0.11 0.00 0.31 0.00 0.00 61.69 61.66 2wn2 s THR 208 Cb 0.03 -2.82 0.08 0.00 0.01 0.00 0.00 72.50 69.81 2wn2 s THR 208 CO -0.11 0.53 1.09 1.51 -0.69 0.00 0.00 174.62 176.95 2wn2 s ASP 209 N -0.11 4.15 -0.19 3.53 1.47 -1.26 -3.99 116.67 120.27 2wn2 s ASP 209 Ca 0.04 1.68 -0.00 0.00 1.18 0.00 0.00 52.55 55.44 2wn2 s ASP 209 Cb -0.13 -2.38 0.05 0.00 -0.34 0.00 0.00 42.92 40.12 2wn2 s ASP 209 CO 0.02 -2.24 -0.05 0.00 0.68 0.00 0.00 175.17 173.59 2wn2 s ALA 210 N -2.93 1.61 -1.51 2.11 0.00 0.07 -4.74 121.76 116.38 2wn2 s ALA 210 Ca 0.62 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.56 2wn2 s ALA 210 Cb -0.17 -1.23 0.02 0.00 0.00 0.00 0.00 23.12 21.74 2wn2 s ALA 210 CO 0.56 -0.95 0.25 2.41 0.00 0.00 0.00 175.76 178.04 2wn2 n THR 211 N 4.82 -1.88 -0.88 0.00 -1.04 -1.26 -0.87 114.28 113.17 2wn2 n THR 211 Ca -0.12 -0.45 0.00 0.00 -2.04 0.00 0.00 64.05 61.44 2wn2 n THR 211 Cb 0.46 -1.76 0.00 0.00 -1.82 0.00 0.00 70.33 67.22 2wn2 n THR 211 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2wn2 n ASN 212 N -2.90 -2.17 -4.81 8.00 4.13 -1.26 -5.00 115.26 111.25 2wn2 n ASN 212 Ca -0.28 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 55.61 2wn2 n ASN 212 Cb 0.67 -1.55 -0.07 0.00 -1.54 0.00 0.00 39.78 37.29 2wn2 n ASN 212 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 2wn2 s GLN 213 N -0.71 3.84 -0.19 3.52 2.00 -0.05 -5.01 119.66 123.07 2wn2 s GLN 213 Ca 0.00 -0.04 -0.11 0.00 -2.00 0.00 0.00 55.36 53.21 2wn2 s GLN 213 Cb 0.00 -3.30 -0.05 0.00 0.80 0.00 0.00 33.01 30.47 2wn2 s GLN 213 CO 0.00 0.55 0.17 0.99 -0.50 0.00 0.00 175.29 176.50 2wn2 s THR 214 N -0.41 5.38 -0.21 -0.34 2.01 -1.26 -0.75 115.64 120.06 2wn2 s THR 214 Ca 0.15 0.29 -0.04 0.00 0.31 0.00 0.00 61.69 62.40 2wn2 s THR 214 Cb -0.13 -3.51 0.07 0.00 0.01 0.00 0.00 72.50 68.94 2wn2 s THR 214 CO 0.04 0.43 0.08 -0.13 -0.69 0.00 0.00 174.62 174.34 2wn2 s ARG 215 N 0.39 0.38 0.01 4.92 0.52 -1.26 -5.05 118.95 118.86 2wn2 s ARG 215 Ca 0.10 -0.39 -0.07 0.00 -0.52 0.00 0.00 55.73 54.85 2wn2 s ARG 215 Cb -0.12 -1.85 -0.00 0.00 0.52 0.00 0.00 34.95 33.51 2wn2 s ARG 215 CO -0.00 -0.75 0.12 0.96 0.02 0.00 0.00 175.30 175.65 2wn2 s ILE 216 N 1.97 0.09 0.13 1.52 -4.36 -1.26 -4.47 121.20 114.81 2wn2 s ILE 216 Ca 0.03 -0.76 -0.20 0.00 -0.26 0.00 0.00 60.65 59.46 2wn2 s ILE 216 Cb -0.17 -0.48 0.05 0.00 1.25 0.00 0.00 42.46 43.12 2wn2 s ILE 216 CO -0.15 -0.42 0.51 -0.83 0.24 0.00 0.00 174.94 174.30 2wn2 s GLY 217 N -1.49 -0.46 -0.09 6.27 0.00 -0.55 -5.01 107.32 105.99 2wn2 s GLY 217 Ca -0.14 0.31 -0.08 0.00 0.00 0.00 0.00 44.72 44.81 2wn2 s GLY 217 CO 0.01 0.01 0.25 0.54 0.00 0.00 0.00 173.10 173.91 2wn2 s VAL 218 N -3.53 -0.00 -0.20 1.40 0.11 -1.26 -1.11 120.40 115.80 2wn2 s VAL 218 Ca 0.01 0.01 -0.22 0.00 -2.93 0.00 0.00 61.98 58.85 2wn2 s VAL 218 Cb 0.00 -0.36 0.06 0.00 -1.53 0.00 0.00 36.38 34.55 2wn2 s VAL 218 CO -0.11 0.01 0.60 -1.58 -3.33 0.00 0.00 175.10 170.69 2wn2 s GLN 219 N 0.23 0.74 0.50 1.54 2.00 -0.07 -4.91 119.66 119.69 2wn2 s GLN 219 Ca -0.01 0.76 -0.19 0.00 -2.00 0.00 0.00 55.36 53.91 2wn2 s GLN 219 Cb -0.02 0.36 -0.08 0.00 0.80 0.00 0.00 33.01 34.06 2wn2 s GLN 219 CO -0.00 -0.11 1.02 -2.14 -0.50 0.00 0.00 175.29 173.56 2wn2 s PRO 220 N 0.13 3.81 0.01 1.67 0.02 -1.26 -1.16 135.00 138.23 2wn2 s PRO 220 Ca -0.01 1.25 0.00 0.00 0.02 0.00 0.00 61.00 62.26 2wn2 s PRO 220 Cb -0.04 -2.10 -0.01 0.00 0.02 0.00 0.00 34.50 32.36 2wn2 s PRO 220 CO 0.02 -0.40 -0.02 0.50 -0.33 0.00 0.00 177.00 176.76 2wn2 s ARG 221 N -3.44 0.23 -1.31 5.54 3.52 0.67 -4.90 118.95 119.25 2wn2 s ARG 221 Ca 0.65 -0.45 -0.05 0.00 -0.13 0.00 0.00 55.73 55.76 2wn2 s ARG 221 Cb -0.14 0.07 0.01 0.00 -1.56 0.00 0.00 34.95 33.34 2wn2 s ARG 221 CO 0.22 -0.04 1.00 0.09 -0.81 0.00 0.00 175.30 175.77 2wn2 n ASN 222 N 2.00 -3.55 -4.71 -2.12 3.02 -1.26 -0.45 115.26 108.19 2wn2 n ASN 222 Ca -0.21 -0.66 -0.42 0.00 -0.03 0.00 0.00 54.58 53.27 2wn2 n ASN 222 Cb 0.56 -4.73 -0.03 0.00 -0.61 0.00 0.00 39.78 34.97 2wn2 n ASN 222 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2wn2 s ILE 223 N -3.40 2.28 0.35 2.41 1.01 -1.26 -4.37 121.20 118.22 2wn2 s ILE 223 Ca 0.27 0.10 0.04 0.00 0.00 0.00 0.00 60.65 61.05 2wn2 s ILE 223 Cb -0.12 -3.06 -0.01 0.00 0.01 0.00 0.00 42.46 39.27 2wn2 s ILE 223 CO 0.76 0.01 0.14 0.35 0.00 0.00 0.00 174.94 176.19 2wn2 n THR 224 N 4.22 0.00 0.30 2.92 -2.24 -0.18 -5.01 114.28 114.29 2wn2 n THR 224 Ca 0.16 -2.06 0.17 0.00 -2.27 0.00 0.00 64.05 60.06 2wn2 n THR 224 Cb 0.37 0.76 0.81 0.00 -2.10 0.00 0.00 70.33 70.17 2wn2 n THR 224 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2wn2 h THR 225 N 1.61 0.00 0.00 4.28 1.35 -1.87 -3.22 112.91 115.06 2wn2 h THR 225 Ca -0.27 -0.25 -0.08 0.00 -0.55 0.00 0.00 66.41 65.26 2wn2 h THR 225 Cb 1.05 1.14 -0.02 0.00 -1.73 0.00 0.00 68.15 68.59 2wn2 h THR 225 CO 0.42 0.00 -1.88 0.29 -0.25 0.00 0.00 175.52 174.10 2wn2 n LYS 226 N -2.85 0.65 -3.47 4.72 5.02 -1.26 -1.42 118.16 119.55 2wn2 n LYS 226 Ca -0.01 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 2wn2 n LYS 226 Cb 0.19 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 2wn2 n LYS 226 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wn2 n GLY 227 N 1.35 -0.87 3.65 0.72 0.00 -1.22 -0.87 105.19 107.96 2wn2 n GLY 227 Ca -0.09 -0.91 -0.08 0.00 0.00 0.00 0.00 46.02 44.94 2wn2 n GLY 227 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wn2 s PHE 228 N -3.00 -0.31 -0.24 1.61 -0.71 -0.60 -1.01 117.98 113.72 2wn2 s PHE 228 Ca 0.00 0.00 -0.15 0.00 -1.04 0.00 0.00 56.93 55.74 2wn2 s PHE 228 Cb 0.00 0.62 -0.04 0.00 -1.21 0.00 0.00 43.02 42.40 2wn2 s PHE 228 CO 0.00 -0.94 0.36 -0.51 -1.34 0.00 0.00 175.22 172.80 2wn2 s ASP 229 N -2.81 6.31 -0.46 1.98 1.01 0.40 -0.41 116.67 122.69 2wn2 s ASP 229 Ca 0.07 0.36 -0.25 0.00 0.71 0.00 0.00 52.55 53.44 2wn2 s ASP 229 Cb -0.03 -2.21 0.03 0.00 1.01 0.00 0.00 42.92 41.72 2wn2 s ASP 229 CO -0.02 -0.12 0.91 0.00 0.21 0.00 0.00 175.17 176.15 2wn2 s VAL 231 N 3.70 4.52 0.04 0.00 1.01 -0.31 -0.39 120.40 128.97 2wn2 s VAL 231 Ca 0.36 -1.10 -0.17 0.00 0.00 0.00 0.00 61.98 61.08 2wn2 s VAL 231 Cb -0.10 -3.64 -0.06 0.00 0.00 0.00 0.00 36.38 32.58 2wn2 s VAL 231 CO 0.26 -0.39 0.49 -0.36 0.00 0.00 0.00 175.10 175.10 2wn2 s PHE 232 N 1.51 3.76 0.09 5.22 0.08 -0.41 -0.89 117.98 127.34 2wn2 s PHE 232 Ca 0.02 1.13 -0.15 0.00 0.12 0.00 0.00 56.93 58.05 2wn2 s PHE 232 Cb -0.21 -2.39 0.03 0.00 -0.57 0.00 0.00 43.02 39.88 2wn2 s PHE 232 CO 0.05 0.61 0.36 1.52 -0.10 0.00 0.00 175.22 177.66 2wn2 s TYR 233 N -1.12 -0.16 0.30 0.36 -0.85 -0.27 -0.55 117.35 115.07 2wn2 s TYR 233 Ca 0.27 -0.07 0.04 0.00 -0.52 0.00 0.00 57.07 56.79 2wn2 s TYR 233 Cb -0.18 0.19 -0.02 0.00 0.38 0.00 0.00 41.96 42.33 2wn2 s TYR 233 CO 0.16 -0.62 0.31 -2.37 -1.52 0.00 0.00 175.55 171.51 2wn2 n THR 234 N 0.09 0.00 -3.59 -3.49 5.66 -0.76 -1.48 114.28 110.71 2wn2 n THR 234 Ca -0.17 -1.99 -0.07 0.00 -3.05 0.00 0.00 64.05 58.78 2wn2 n THR 234 Cb 0.62 1.05 0.02 0.00 -1.55 0.00 0.00 70.33 70.47 2wn2 n THR 234 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35 2wn2 n TRP 235 N -0.55 -1.94 -4.21 1.09 2.14 -1.26 -1.68 117.44 111.03 2wn2 n TRP 235 Ca 0.05 -1.36 0.00 0.00 2.07 0.00 0.00 57.50 58.26 2wn2 n TRP 235 Cb 0.53 0.65 0.00 0.00 -0.81 0.00 0.00 31.31 31.69 2wn2 n TRP 235 CO 0.00 0.00 0.00 -1.71 2.07 0.00 0.00 177.69 178.05 2wn2 n ASN 236 N -1.40 0.00 -0.96 -0.67 2.85 -1.25 -2.65 115.26 111.18 2wn2 n ASN 236 Ca -0.06 0.00 0.12 0.00 -0.11 0.00 0.00 54.58 54.53 2wn2 n ASN 236 Cb 0.43 0.00 0.23 0.00 1.24 0.00 0.00 39.78 41.68 2wn2 n ASN 236 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2wn2 n GLU 237 N 10.37 2.28 -1.78 1.20 -0.58 -1.26 -0.53 120.64 130.34 2wn2 n GLU 237 Ca 0.00 -1.91 -0.41 0.00 -0.42 0.00 0.00 57.16 54.42 2wn2 n GLU 237 Cb 0.00 -1.48 -0.00 0.00 -0.57 0.00 0.00 31.44 29.39 2wn2 n GLU 237 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 2wn2 s ASN 238 N -1.69 6.32 -0.19 1.62 -0.87 -1.09 -4.92 114.94 114.12 2wn2 s ASN 238 Ca 0.35 3.05 -0.03 0.00 -1.57 0.00 0.00 52.86 54.65 2wn2 s ASN 238 Cb 0.21 -2.66 -0.01 0.00 -0.02 0.00 0.00 41.25 38.77 2wn2 s ASN 238 CO 0.31 -0.91 -0.06 -0.54 -2.57 0.00 0.00 177.10 173.33 2wn2 s LYS 239 N -1.66 3.44 -0.21 -0.60 -0.14 -1.26 -4.73 119.74 114.58 2wn2 s LYS 239 Ca 0.56 -0.61 0.01 0.00 -1.36 0.00 0.00 55.97 54.57 2wn2 s LYS 239 Cb -0.47 -2.93 0.03 0.00 -1.68 0.00 0.00 37.83 32.78 2wn2 s LYS 239 CO 0.59 -0.05 -0.15 0.08 -0.76 0.00 0.00 175.35 175.07 2wn2 s VAL 240 N 1.08 2.24 -0.00 3.17 1.01 -0.23 -0.71 120.40 126.96 2wn2 s VAL 240 Ca 0.01 -1.15 -0.22 0.00 0.00 0.00 0.00 61.98 60.62 2wn2 s VAL 240 Cb -0.15 -2.09 -0.19 0.00 0.00 0.00 0.00 36.38 33.96 2wn2 s VAL 240 CO -0.00 0.32 1.20 0.22 0.00 0.00 0.00 175.10 176.84 2wn2 h TYR 241 N 7.90 0.35 -2.68 5.22 3.20 -1.32 -1.80 116.97 127.85 2wn2 h TYR 241 Ca -0.36 -0.14 -0.01 0.00 3.14 0.00 0.00 58.73 61.35 2wn2 h TYR 241 Cb 1.11 -0.06 -0.14 0.00 1.54 0.00 0.00 36.73 39.18 2wn2 h TYR 241 CO 0.54 0.84 0.24 -1.54 -1.64 0.00 0.00 178.16 176.59 2wn2 s SER 242 N -6.22 -0.57 -0.00 -2.11 1.04 -0.76 -0.73 113.70 104.35 2wn2 s SER 242 Ca -0.15 0.17 -0.01 0.00 0.48 0.00 0.00 55.95 56.43 2wn2 s SER 242 Cb 0.03 0.56 -0.00 0.00 0.10 0.00 0.00 66.02 66.71 2wn2 s SER 242 CO 0.75 -0.84 0.02 -0.76 0.98 0.00 0.00 173.24 173.39 2wn2 s LEU 243 N -2.35 1.97 0.08 2.42 1.43 -1.26 -1.89 118.68 119.07 2wn2 s LEU 243 Ca -0.01 -0.15 0.05 0.00 -1.03 0.00 0.00 54.13 52.99 2wn2 s LEU 243 Cb -0.01 0.16 -0.03 0.00 0.03 0.00 0.00 46.19 46.34 2wn2 s LEU 243 CO -0.07 -0.14 -0.13 -0.60 0.23 0.00 0.00 176.35 175.63 2wn2 s ARG 244 N -0.61 0.82 0.02 1.70 3.52 -0.39 -1.77 118.95 122.25 2wn2 s ARG 244 Ca -0.07 -0.98 -0.10 0.00 -0.13 0.00 0.00 55.73 54.44 2wn2 s ARG 244 Cb -0.04 -0.77 0.01 0.00 -1.56 0.00 0.00 34.95 32.58 2wn2 s ARG 244 CO -0.00 0.16 0.21 0.00 -0.81 0.00 0.00 175.30 174.87 2wn2 s ALA 245 N -1.45 -0.46 0.13 6.12 0.00 -0.71 -1.34 121.76 124.04 2wn2 s ALA 245 Ca -0.01 -0.12 0.06 0.00 0.00 0.00 0.00 51.96 51.89 2wn2 s ALA 245 Cb -0.09 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 2wn2 s ALA 245 CO 0.02 -0.32 0.02 -0.51 0.00 0.00 0.00 175.76 174.97 2wn2 s ASP 246 N -1.80 4.99 0.18 0.00 1.01 -0.78 -0.81 116.67 119.47 2wn2 s ASP 246 Ca -0.09 -0.25 0.10 0.00 0.71 0.00 0.00 52.55 53.02 2wn2 s ASP 246 Cb -0.03 -1.16 -0.04 0.00 1.01 0.00 0.00 42.92 42.70 2wn2 s ASP 246 CO -0.01 0.13 -0.20 -0.72 0.21 0.00 0.00 175.17 174.57 2wn2 s TYR 247 N -1.51 2.03 -0.15 4.23 1.13 0.37 -2.01 117.35 121.44 2wn2 s TYR 247 Ca 0.27 -0.42 -0.02 0.00 -1.41 0.00 0.00 57.07 55.49 2wn2 s TYR 247 Cb -0.11 -1.00 0.05 0.00 -1.10 0.00 0.00 41.96 39.80 2wn2 s TYR 247 CO 0.19 0.42 0.01 0.42 -2.51 0.00 0.00 175.55 174.08 2wn2 s ILE 248 N -1.95 0.59 -0.14 -3.49 1.09 -0.03 -1.68 121.20 115.60 2wn2 s ILE 248 Ca 0.19 -0.34 0.01 0.00 -1.10 0.00 0.00 60.65 59.40 2wn2 s ILE 248 Cb -0.06 -0.92 -0.01 0.00 -1.06 0.00 0.00 42.46 40.41 2wn2 s ILE 248 CO 0.08 0.01 -0.16 0.00 -0.10 0.00 0.00 174.94 174.78 2wn2 s ALA 249 N 1.85 2.47 -0.04 9.38 0.00 -0.07 -0.48 121.76 134.87 2wn2 s ALA 249 Ca 0.01 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.00 2wn2 s ALA 249 Cb -0.15 -1.14 0.03 0.00 0.00 0.00 0.00 23.12 21.85 2wn2 s ALA 249 CO -0.07 0.12 -0.01 0.99 0.00 0.00 0.00 175.76 176.79 2wn2 s THR 250 N 0.57 0.33 0.07 0.00 2.01 -0.47 -0.59 115.64 117.56 2wn2 s THR 250 Ca -0.10 0.03 0.06 0.00 0.31 0.00 0.00 61.69 61.99 2wn2 s THR 250 Cb -0.16 -0.41 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 2wn2 s THR 250 CO 0.04 0.19 -0.09 0.00 -0.69 0.00 0.00 174.62 174.07 2wn2 s ALA 251 N 1.18 2.98 -0.05 7.40 0.00 -0.12 -1.19 121.76 131.96 2wn2 s ALA 251 Ca -0.07 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.71 2wn2 s ALA 251 Cb -0.14 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 21.98 2wn2 s ALA 251 CO -0.02 0.64 -0.02 -1.17 0.00 0.00 0.00 175.76 175.19 2wn2 s LEU 252 N -1.98 3.45 0.00 0.00 2.96 -1.26 -0.92 118.68 120.92 2wn2 s LEU 252 Ca 0.20 0.04 0.00 0.00 -0.22 0.00 0.00 54.13 54.15 2wn2 s LEU 252 Cb -0.11 -1.86 0.00 0.00 0.50 0.00 0.00 46.19 44.72 2wn2 s LEU 252 CO 0.12 0.34 0.00 -0.62 -1.32 0.00 0.00 176.35 174.87