#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wv6 n PRO 2 N 0.00 1.49 0.00 0.00 -0.02 -1.26 -4.94 135.00 130.26 2wv6 n PRO 2 Ca 0.00 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2wv6 n PRO 2 Cb 0.00 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 2wv6 n PRO 2 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wv6 n GLN 3 N -0.32 1.44 -3.90 -0.52 10.64 -1.26 -4.93 117.38 118.53 2wv6 n GLN 3 Ca 0.10 -1.05 -0.09 0.00 -1.83 0.00 0.00 57.00 54.13 2wv6 n GLN 3 Cb 0.42 -0.93 -0.02 0.00 -0.86 0.00 0.00 30.24 28.85 2wv6 n GLN 3 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2wv6 s ASN 4 N -0.58 -0.03 0.41 2.61 2.20 -1.26 -5.05 114.94 113.24 2wv6 s ASN 4 Ca 0.00 -0.92 0.09 0.00 -0.94 0.00 0.00 52.86 51.09 2wv6 s ASN 4 Cb 0.00 0.72 0.86 0.00 -2.00 0.00 0.00 41.25 40.84 2wv6 s ASN 4 CO 0.00 -1.39 2.00 -0.29 -2.94 0.00 0.00 177.10 174.48 2wv6 h ILE 5 N 2.07 1.13 -0.15 0.54 2.10 -1.97 -1.20 117.51 120.03 2wv6 h ILE 5 Ca -0.25 -0.46 -0.03 0.00 1.08 0.00 0.00 64.86 65.20 2wv6 h ILE 5 Cb 1.25 0.91 -0.01 0.00 -1.09 0.00 0.00 36.82 37.88 2wv6 h ILE 5 CO 0.32 0.16 -0.01 0.74 -1.08 0.00 0.00 178.15 178.29 2wv6 h THR 6 N 0.33 1.26 -0.60 2.19 2.02 -1.99 -0.30 112.91 115.82 2wv6 h THR 6 Ca 0.08 -0.87 -0.07 0.00 0.77 0.00 0.00 66.41 66.32 2wv6 h THR 6 Cb 0.16 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 2wv6 h THR 6 CO -0.00 0.26 0.10 -0.33 0.37 0.00 0.00 175.52 175.91 2wv6 h GLU 7 N 0.01 0.98 -0.73 6.66 5.08 -1.88 -2.78 114.58 121.91 2wv6 h GLU 7 Ca 0.04 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.10 2wv6 h GLU 7 Cb 0.39 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2wv6 h GLU 7 CO 0.01 0.90 0.21 -0.07 -1.00 0.00 0.00 179.01 179.06 2wv6 h LEU 8 N 0.92 1.09 -1.19 1.33 3.38 -1.08 -3.19 115.31 116.56 2wv6 h LEU 8 Ca 0.19 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2wv6 h LEU 8 Cb 0.40 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2wv6 h LEU 8 CO 0.01 1.02 -0.01 0.00 0.09 0.00 0.00 178.44 179.55 2wv6 h SER 10 N 0.52 0.00 1.43 0.00 4.64 -1.52 -2.83 113.55 115.78 2wv6 h SER 10 Ca 0.11 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.34 2wv6 h SER 10 Cb 0.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 2wv6 h SER 10 CO 0.01 0.00 -0.40 -0.33 -0.87 0.00 0.00 176.83 175.24 2wv6 h GLU 11 N 0.00 0.00 -7.26 4.77 5.08 -1.42 -3.46 114.58 112.30 2wv6 h GLU 11 Ca 0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 2wv6 h GLU 11 Cb 0.37 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.68 2wv6 h GLU 11 CO 0.00 0.40 0.28 0.71 -1.00 0.00 0.00 179.01 179.40 2wv6 s TYR 12 N -3.12 3.34 0.13 4.33 1.51 -1.07 -5.08 117.35 117.38 2wv6 s TYR 12 Ca 0.04 0.86 -0.12 0.00 -1.01 0.00 0.00 57.07 56.84 2wv6 s TYR 12 Cb 0.08 -2.83 -0.06 0.00 -0.11 0.00 0.00 41.96 39.04 2wv6 s TYR 12 CO 0.72 -0.90 0.48 -1.01 -1.11 0.00 0.00 175.55 173.73 2wv6 s HIS 13 N -3.12 3.57 -1.37 2.71 3.76 -1.26 -4.50 115.29 115.07 2wv6 s HIS 13 Ca 0.55 0.91 -0.09 0.00 -0.15 0.00 0.00 55.06 56.28 2wv6 s HIS 13 Cb -0.11 -2.26 0.02 0.00 1.11 0.00 0.00 32.58 31.34 2wv6 s HIS 13 CO 0.48 0.45 1.17 0.09 -0.85 0.00 0.00 174.74 176.08 2wv6 n ASN 14 N 0.73 -6.17 -4.60 1.40 3.02 -1.26 -4.93 115.26 103.45 2wv6 n ASN 14 Ca -0.06 -0.56 -0.25 0.00 -0.03 0.00 0.00 54.58 53.68 2wv6 n ASN 14 Cb 0.52 -4.96 -0.09 0.00 -0.61 0.00 0.00 39.78 34.64 2wv6 n ASN 14 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2wv6 s THR 15 N -3.32 2.54 0.10 3.41 -4.23 -1.26 -1.03 115.64 111.85 2wv6 s THR 15 Ca 0.58 -2.06 -0.05 0.00 -1.18 0.00 0.00 61.69 58.98 2wv6 s THR 15 Cb -0.26 -2.73 -0.02 0.00 1.34 0.00 0.00 72.50 70.83 2wv6 s THR 15 CO 0.74 -0.22 0.11 0.00 -0.54 0.00 0.00 174.62 174.72 2wv6 s GLN 16 N -3.67 0.85 0.05 3.99 -2.07 0.20 -4.92 119.66 114.09 2wv6 s GLN 16 Ca 0.34 -1.18 -0.17 0.00 -1.82 0.00 0.00 55.36 52.53 2wv6 s GLN 16 Cb 0.00 0.29 -0.06 0.00 -1.09 0.00 0.00 33.01 32.15 2wv6 s GLN 16 CO 0.18 -0.25 0.51 0.42 -1.32 0.00 0.00 175.29 174.83 2wv6 s ILE 17 N -3.94 4.85 -0.21 3.63 -1.09 -1.26 -0.77 121.20 122.41 2wv6 s ILE 17 Ca 0.12 1.05 0.02 0.00 -2.23 0.00 0.00 60.65 59.60 2wv6 s ILE 17 Cb 0.06 -3.82 0.03 0.00 -1.58 0.00 0.00 42.46 37.16 2wv6 s ILE 17 CO -0.06 0.54 -0.17 -0.47 -1.23 0.00 0.00 174.94 173.55 2wv6 s TYR 18 N -1.13 2.93 -0.35 3.97 6.14 0.22 -4.95 117.35 124.18 2wv6 s TYR 18 Ca 0.28 -1.86 -0.20 0.00 0.64 0.00 0.00 57.07 55.92 2wv6 s TYR 18 Cb -0.18 -1.92 0.00 0.00 0.42 0.00 0.00 41.96 40.28 2wv6 s TYR 18 CO 0.17 -0.83 0.64 -1.21 0.64 0.00 0.00 175.55 174.96 2wv6 s GLU 19 N 1.23 3.72 0.00 4.97 2.02 -1.26 -1.26 118.70 128.12 2wv6 s GLU 19 Ca 0.01 0.10 0.00 0.00 0.02 0.00 0.00 54.97 55.10 2wv6 s GLU 19 Cb -0.15 -3.80 0.00 0.00 0.10 0.00 0.00 34.13 30.28 2wv6 s GLU 19 CO -0.10 -0.71 0.00 1.28 0.02 0.00 0.00 175.26 175.74 2wv6 n LEU 20 N 6.03 0.00 -3.56 1.80 4.77 0.11 -5.01 117.00 121.13 2wv6 n LEU 20 Ca -0.01 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.75 2wv6 n LEU 20 Cb 0.49 -0.31 0.08 0.00 -2.33 0.00 0.00 43.42 41.35 2wv6 n LEU 20 CO 0.49 -0.50 0.18 -3.20 -1.33 0.00 0.00 177.39 173.03 2wv6 n ASN 21 N -2.49 -4.47 -3.92 -1.43 5.15 0.75 -4.99 115.26 103.85 2wv6 n ASN 21 Ca 0.00 -0.60 -0.09 0.00 -0.60 0.00 0.00 54.58 53.29 2wv6 n ASN 21 Cb 0.00 -4.96 -0.09 0.00 -0.53 0.00 0.00 39.78 34.20 2wv6 n ASN 21 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2wv6 s LYS 22 N -5.97 0.68 0.45 1.20 1.02 -0.93 -4.92 119.74 111.27 2wv6 s LYS 22 Ca 0.35 -0.87 -0.11 0.00 0.02 0.00 0.00 55.97 55.36 2wv6 s LYS 22 Cb -0.16 0.27 -0.06 0.00 -0.52 0.00 0.00 37.83 37.36 2wv6 s LYS 22 CO 0.74 -0.18 0.82 -1.83 -0.92 0.00 0.00 175.35 173.98 2wv6 s GLU 23 N -3.17 3.76 0.03 1.68 -1.05 -1.26 -0.92 118.70 117.77 2wv6 s GLU 23 Ca -0.00 0.53 -0.30 0.00 -0.15 0.00 0.00 54.97 55.04 2wv6 s GLU 23 Cb 0.02 -2.33 -0.06 0.00 -0.44 0.00 0.00 34.13 31.32 2wv6 s GLU 23 CO -0.07 -0.13 1.32 0.42 0.95 0.00 0.00 175.26 177.74 2wv6 s ILE 24 N -2.52 3.78 -0.05 1.83 1.01 -1.26 -4.65 121.20 119.34 2wv6 s ILE 24 Ca 0.52 1.22 -0.11 0.00 0.00 0.00 0.00 60.65 62.28 2wv6 s ILE 24 Cb -0.10 -3.78 -0.31 0.00 0.01 0.00 0.00 42.46 38.28 2wv6 s ILE 24 CO 0.35 0.05 0.65 0.50 0.00 0.00 0.00 174.94 176.49 2wv6 h LYS 25 N 7.28 0.39 -3.68 2.79 3.64 -0.94 -3.47 116.57 122.58 2wv6 h LYS 25 Ca -0.39 -0.67 -0.33 0.00 -1.27 0.00 0.00 60.65 57.98 2wv6 h LYS 25 Cb 1.19 0.25 -0.34 0.00 -0.41 0.00 0.00 32.23 32.92 2wv6 h LYS 25 CO 0.87 1.32 -0.74 0.99 -2.27 0.00 0.00 179.45 179.61 2wv6 s THR 26 N -2.57 0.13 -0.14 1.00 2.01 -0.48 -5.00 115.64 110.59 2wv6 s THR 26 Ca -0.16 0.11 0.02 0.00 0.31 0.00 0.00 61.69 61.97 2wv6 s THR 26 Cb 0.05 -0.23 0.01 0.00 0.01 0.00 0.00 72.50 72.34 2wv6 s THR 26 CO 0.85 0.13 -0.22 -0.47 -0.69 0.00 0.00 174.62 174.22 2wv6 s TYR 27 N 1.03 2.67 -0.06 4.92 5.04 -1.26 -0.81 117.35 128.87 2wv6 s TYR 27 Ca -0.10 -1.35 0.03 0.00 -2.44 0.00 0.00 57.07 53.21 2wv6 s TYR 27 Cb -0.13 -1.81 0.01 0.00 0.35 0.00 0.00 41.96 40.37 2wv6 s TYR 27 CO -0.02 -0.62 -0.14 0.99 -1.34 0.00 0.00 175.55 174.43 2wv6 s THR 28 N 0.82 1.25 -0.03 4.34 2.01 0.10 -5.01 115.64 119.12 2wv6 s THR 28 Ca -0.07 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 61.39 2wv6 s THR 28 Cb -0.15 -1.12 0.01 0.00 0.01 0.00 0.00 72.50 71.24 2wv6 s THR 28 CO -0.02 0.38 -0.08 -0.70 -0.69 0.00 0.00 174.62 173.51 2wv6 s GLU 29 N 0.51 0.97 -0.01 4.92 2.12 -1.26 -0.46 118.70 125.49 2wv6 s GLU 29 Ca -0.13 -0.27 0.03 0.00 0.36 0.00 0.00 54.97 54.96 2wv6 s GLU 29 Cb -0.15 -0.91 -0.01 0.00 0.26 0.00 0.00 34.13 33.33 2wv6 s GLU 29 CO 0.04 0.07 -0.10 0.45 -0.54 0.00 0.00 175.26 175.17 2wv6 s SER 30 N 0.36 1.25 0.00 -1.70 0.15 0.40 -5.01 113.70 109.15 2wv6 s SER 30 Ca -0.06 -0.19 0.10 0.00 0.70 0.00 0.00 55.95 56.50 2wv6 s SER 30 Cb -0.10 -0.18 0.10 0.00 -1.71 0.00 0.00 66.02 64.13 2wv6 s SER 30 CO 0.01 0.12 0.86 0.00 1.20 0.00 0.00 173.24 175.43 2wv6 n LEU 31 N 2.91 1.94 0.00 3.45 -0.00 -1.26 -2.19 117.00 121.84 2wv6 n LEU 31 Ca -0.15 -1.11 0.00 0.00 -0.00 0.00 0.00 56.01 54.76 2wv6 n LEU 31 Cb 0.56 -0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.96 2wv6 n LEU 31 CO 0.25 0.39 0.00 0.00 -0.00 0.00 0.00 177.39 178.03 2wv6 n ALA 32 N 0.54 0.00 0.00 1.47 0.00 -1.26 -5.02 120.51 116.24 2wv6 n ALA 32 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2wv6 n ALA 32 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 2wv6 n ALA 32 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2wv6 n GLU 36 N 0.00 0.00 -1.73 0.00 0.00 -1.00 -5.26 120.64 112.65 2wv6 n GLU 36 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.74 2wv6 n GLU 36 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.41 2wv6 n GLU 36 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.13 178.54 2wv6 s MET 37 N 0.00 4.13 -0.11 5.31 1.75 -0.93 -4.69 119.30 124.75 2wv6 s MET 37 Ca 0.00 2.61 0.03 0.00 -1.25 0.00 0.00 55.69 57.08 2wv6 s MET 37 Cb 0.00 -3.08 0.00 0.00 2.84 0.00 0.00 34.83 34.59 2wv6 s MET 37 CO 0.00 -0.75 -0.23 0.08 -0.65 0.00 0.00 175.02 173.47 2wv6 s VAL 38 N 1.20 2.02 -0.03 10.11 1.01 -1.26 -0.45 120.40 133.00 2wv6 s VAL 38 Ca 0.75 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.79 2wv6 s VAL 38 Cb -0.50 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 2wv6 s VAL 38 CO 0.32 0.55 -0.17 -0.63 0.00 0.00 0.00 175.10 175.17 2wv6 s ILE 39 N 0.53 1.36 0.06 2.22 1.01 0.40 -1.15 121.20 125.63 2wv6 s ILE 39 Ca -0.14 -0.70 0.06 0.00 0.00 0.00 0.00 60.65 59.86 2wv6 s ILE 39 Cb -0.17 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.12 2wv6 s ILE 39 CO 0.05 0.39 -0.16 0.27 0.00 0.00 0.00 174.94 175.48 2wv6 s ILE 40 N -0.15 1.31 0.02 2.92 -4.36 0.05 -0.72 121.20 120.28 2wv6 s ILE 40 Ca 0.01 -1.22 -0.02 0.00 -0.26 0.00 0.00 60.65 59.16 2wv6 s ILE 40 Cb -0.09 -1.20 -0.02 0.00 1.25 0.00 0.00 42.46 42.40 2wv6 s ILE 40 CO 0.01 -0.04 0.00 -0.44 0.24 0.00 0.00 174.94 174.71 2wv6 s SER 41 N -1.46 0.25 0.36 4.36 0.01 0.01 -0.82 113.70 116.41 2wv6 s SER 41 Ca 0.02 -0.55 0.09 0.00 1.31 0.00 0.00 55.95 56.82 2wv6 s SER 41 Cb -0.09 0.14 -0.07 0.00 0.21 0.00 0.00 66.02 66.21 2wv6 s SER 41 CO 0.02 -0.38 -0.03 -0.36 0.41 0.00 0.00 173.24 172.90 2wv6 s PHE 42 N -1.96 2.47 0.32 2.43 0.40 -0.66 -0.23 117.98 120.75 2wv6 s PHE 42 Ca -0.11 -0.54 0.06 0.00 -0.60 0.00 0.00 56.93 55.75 2wv6 s PHE 42 Cb -0.06 -1.53 0.73 0.00 0.51 0.00 0.00 43.02 42.67 2wv6 s PHE 42 CO -0.02 0.51 1.82 0.00 0.70 0.00 0.00 175.22 178.23 2wv6 h ALA 43 N 1.89 1.71 0.00 5.36 0.00 -1.90 -0.04 119.26 126.29 2wv6 h ALA 43 Ca -0.43 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2wv6 h ALA 43 Cb 1.25 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2wv6 h ALA 43 CO 0.72 -0.01 0.00 0.27 0.00 0.00 0.00 179.25 180.23 2wv6 n ASN 44 N -4.65 0.00 0.00 0.00 6.94 -1.26 -4.85 115.26 111.45 2wv6 n ASN 44 Ca 0.20 -0.24 0.00 0.00 -0.02 0.00 0.00 54.58 54.53 2wv6 n ASN 44 Cb 0.49 -0.14 0.00 0.00 -2.36 0.00 0.00 39.78 37.77 2wv6 n ASN 44 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wv6 n GLY 45 N 0.06 0.73 3.70 4.83 0.00 -0.03 -5.05 105.19 109.44 2wv6 n GLY 45 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2wv6 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wv6 s ALA 46 N -2.43 3.77 -0.06 4.61 0.00 -1.25 -4.82 121.76 121.58 2wv6 s ALA 46 Ca 0.00 1.39 0.03 0.00 0.00 0.00 0.00 51.96 53.38 2wv6 s ALA 46 Cb 0.00 -3.72 0.01 0.00 0.00 0.00 0.00 23.12 19.41 2wv6 s ALA 46 CO 0.00 -1.10 -0.13 0.99 0.00 0.00 0.00 175.76 175.52 2wv6 s THR 47 N 2.33 1.15 0.04 0.00 2.01 -1.26 -1.66 115.64 118.25 2wv6 s THR 47 Ca 0.77 -0.51 0.02 0.00 0.31 0.00 0.00 61.69 62.28 2wv6 s THR 47 Cb -0.44 -1.04 -0.02 0.00 0.01 0.00 0.00 72.50 71.01 2wv6 s THR 47 CO 0.34 0.35 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.19 2wv6 s PHE 48 N 0.48 0.62 0.18 4.92 0.08 0.00 -4.20 117.98 120.06 2wv6 s PHE 48 Ca -0.11 -0.51 0.08 0.00 0.12 0.00 0.00 56.93 56.52 2wv6 s PHE 48 Cb -0.14 -0.38 -0.04 0.00 -0.57 0.00 0.00 43.02 41.89 2wv6 s PHE 48 CO 0.03 -0.10 -0.07 1.14 -0.10 0.00 0.00 175.22 176.12 2wv6 s GLN 49 N -1.58 2.15 0.29 0.44 -2.07 -0.86 -0.77 119.66 117.26 2wv6 s GLN 49 Ca -0.11 -1.23 -0.28 0.00 -1.82 0.00 0.00 55.36 51.92 2wv6 s GLN 49 Cb -0.10 -2.21 -0.09 0.00 -1.09 0.00 0.00 33.01 29.52 2wv6 s GLN 49 CO 0.00 0.44 0.95 0.08 -1.32 0.00 0.00 175.29 175.44 2wv6 s VAL 50 N -1.72 4.11 1.14 3.63 1.01 -0.30 -1.48 120.40 126.78 2wv6 s VAL 50 Ca 0.26 1.92 -0.16 0.00 0.00 0.00 0.00 61.98 63.99 2wv6 s VAL 50 Cb -0.09 -4.14 0.26 0.00 0.00 0.00 0.00 36.38 32.41 2wv6 s VAL 50 CO 0.16 0.31 1.07 -1.61 0.00 0.00 0.00 175.10 175.03 2wv6 s GLU 51 N -1.65 -0.70 0.05 2.72 0.41 -1.26 -4.73 118.70 113.53 2wv6 s GLU 51 Ca 0.46 0.31 0.03 0.00 -0.41 0.00 0.00 54.97 55.36 2wv6 s GLU 51 Cb -0.22 -1.62 -0.04 0.00 -1.78 0.00 0.00 34.13 30.46 2wv6 s GLU 51 CO 0.28 -3.44 -0.01 0.14 -0.49 0.00 0.00 175.26 171.74 2wv6 s VAL 52 N -2.85 4.03 0.37 2.63 -7.23 -1.26 -5.01 120.40 111.08 2wv6 s VAL 52 Ca 0.68 -0.83 -0.28 0.00 -1.81 0.00 0.00 61.98 59.74 2wv6 s VAL 52 Cb -0.16 -2.86 -0.11 0.00 0.56 0.00 0.00 36.38 33.81 2wv6 s VAL 52 CO 0.58 0.24 1.49 -2.84 -0.31 0.00 0.00 175.10 174.26 2wv6 s PRO 53 N -1.95 4.11 0.00 4.82 0.02 -1.26 -2.54 135.00 138.20 2wv6 s PRO 53 Ca 0.23 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.82 2wv6 s PRO 53 Cb -0.12 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.43 2wv6 s PRO 53 CO 0.14 -0.54 0.00 0.41 -0.33 0.00 0.00 177.00 176.68 2wv6 n GLY 54 N 0.61 0.82 3.96 0.52 0.00 0.22 -4.95 105.19 106.36 2wv6 n GLY 54 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 2wv6 n GLY 54 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wv6 s SER 55 N -2.91 4.49 -1.13 1.61 1.04 -1.05 -4.12 113.70 111.63 2wv6 s SER 55 Ca 0.00 0.07 -0.12 0.00 0.48 0.00 0.00 55.95 56.38 2wv6 s SER 55 Cb 0.00 -0.58 -0.03 0.00 0.10 0.00 0.00 66.02 65.51 2wv6 s SER 55 CO 0.00 -1.78 0.84 0.00 0.98 0.00 0.00 173.24 173.28 2wv6 n GLN 56 N -2.92 -2.21 -2.81 4.02 1.13 -1.26 -1.81 117.38 111.53 2wv6 n GLN 56 Ca 0.11 0.65 -0.20 0.00 -1.94 0.00 0.00 57.00 55.62 2wv6 n GLN 56 Cb 0.60 -4.96 0.01 0.00 0.11 0.00 0.00 30.24 25.99 2wv6 n GLN 56 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2wv6 n HIS 57 N -3.82 -1.58 -1.06 1.08 8.25 -1.26 -0.91 115.22 115.93 2wv6 n HIS 57 Ca -0.11 0.26 -0.02 0.00 -0.26 0.00 0.00 57.72 57.59 2wv6 n HIS 57 Cb 0.62 -3.64 -0.01 0.00 1.12 0.00 0.00 29.99 28.08 2wv6 n HIS 57 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2wv6 n LEU 58 N -3.44 0.30 0.24 2.41 4.77 -0.75 -4.86 117.00 115.67 2wv6 n LEU 58 Ca -0.13 0.05 0.11 0.00 -0.03 0.00 0.00 56.01 56.01 2wv6 n LEU 58 Cb 0.62 -1.59 0.60 0.00 -2.33 0.00 0.00 43.42 40.71 2wv6 n LEU 58 CO 0.36 -0.54 0.89 -0.33 -1.33 0.00 0.00 177.39 176.44 2wv6 h GLU 59 N 0.39 0.00 -4.71 3.23 4.39 -0.85 -3.41 114.58 113.63 2wv6 h GLU 59 Ca -0.04 0.00 -0.69 0.00 0.34 0.00 0.00 59.36 58.97 2wv6 h GLU 59 Cb 0.56 0.00 -0.23 0.00 -0.10 0.00 0.00 28.75 28.98 2wv6 h GLU 59 CO 0.06 0.18 -0.54 0.45 -1.16 0.00 0.00 179.01 177.99 2wv6 s SER 60 N -6.17 5.62 0.20 1.42 0.15 -1.06 -5.06 113.70 108.80 2wv6 s SER 60 Ca -0.01 -0.70 0.05 0.00 0.70 0.00 0.00 55.95 55.98 2wv6 s SER 60 Cb 0.12 -2.01 -0.05 0.00 -1.71 0.00 0.00 66.02 62.37 2wv6 s SER 60 CO 0.61 -0.27 -0.06 -1.10 1.20 0.00 0.00 173.24 173.62 2wv6 s GLN 61 N 1.59 1.26 0.14 5.44 -0.21 -1.26 0.68 119.66 127.30 2wv6 s GLN 61 Ca 0.04 -1.60 -0.19 0.00 0.02 0.00 0.00 55.36 53.63 2wv6 s GLN 61 Cb -0.18 -0.73 0.02 0.00 1.00 0.00 0.00 33.01 33.12 2wv6 s GLN 61 CO 0.06 0.01 1.69 -0.22 -2.12 0.00 0.00 175.29 174.71 2wv6 h LYS 62 N 2.57 -0.00 -0.19 2.91 1.63 -1.93 -2.28 116.57 119.28 2wv6 h LYS 62 Ca -0.38 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.32 2wv6 h LYS 62 Cb 1.21 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.84 2wv6 h LYS 62 CO 0.64 -0.00 -0.26 0.00 -3.45 0.00 0.00 179.45 176.38 2wv6 h ARG 63 N -0.01 0.52 -0.82 1.90 3.08 -2.00 -1.87 114.38 115.18 2wv6 h ARG 63 Ca 0.13 -0.30 0.07 0.00 0.07 0.00 0.00 59.98 59.95 2wv6 h ARG 63 Cb 0.21 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.23 2wv6 h ARG 63 CO -0.28 0.89 0.54 -1.35 -1.07 0.00 0.00 179.97 178.69 2wv6 h PRO 64 N 0.18 0.85 -0.46 0.04 0.11 -1.99 -2.09 132.00 128.64 2wv6 h PRO 64 Ca 0.02 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.99 2wv6 h PRO 64 Cb 0.83 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.73 2wv6 h PRO 64 CO 0.06 0.56 -0.10 -0.07 -0.21 0.00 0.00 178.00 178.25 2wv6 h LEU 65 N 0.87 0.81 -0.58 2.35 3.38 -1.11 -0.52 115.31 120.52 2wv6 h LEU 65 Ca 0.36 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2wv6 h LEU 65 Cb 0.27 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2wv6 h LEU 65 CO -0.13 0.93 0.33 -0.33 0.09 0.00 0.00 178.44 179.33 2wv6 h GLU 66 N 0.74 0.80 -0.57 1.13 4.39 -0.87 0.75 114.58 120.96 2wv6 h GLU 66 Ca 0.13 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 2wv6 h GLU 66 Cb 0.59 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 2wv6 h GLU 66 CO 0.04 0.60 0.26 -0.09 -1.16 0.00 0.00 179.01 178.65 2wv6 h ARG 67 N 0.78 0.83 -0.75 2.33 2.43 -0.93 -1.44 114.38 117.63 2wv6 h ARG 67 Ca 0.21 -0.13 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 2wv6 h ARG 67 Cb 0.02 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 2wv6 h ARG 67 CO -0.04 0.69 0.24 1.98 -1.51 0.00 0.00 179.97 181.33 2wv6 h MET 68 N 0.77 1.15 -0.99 0.20 4.05 -0.74 -1.09 114.93 118.28 2wv6 h MET 68 Ca 0.19 -0.24 0.01 0.00 -0.28 0.00 0.00 59.70 59.38 2wv6 h MET 68 Cb 0.15 -0.17 -0.05 0.00 -0.80 0.00 0.00 31.60 30.73 2wv6 h MET 68 CO -0.02 0.98 0.66 0.87 0.23 0.00 0.00 176.91 179.62 2wv6 h LYS 69 N 1.11 1.31 -0.36 0.39 1.57 -0.62 -0.92 116.57 119.04 2wv6 h LYS 69 Ca 0.24 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2wv6 h LYS 69 Cb 0.30 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 2wv6 h LYS 69 CO -0.01 0.87 0.24 -0.44 -0.57 0.00 0.00 179.45 179.54 2wv6 h ASP 70 N 1.35 0.42 -0.33 0.86 3.32 -0.55 -1.07 116.42 120.41 2wv6 h ASP 70 Ca 0.36 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.39 2wv6 h ASP 70 Cb -0.16 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 2wv6 h ASP 70 CO -0.08 0.30 0.18 0.74 -1.72 0.00 0.00 179.24 178.67 2wv6 h THR 71 N 0.49 1.13 -0.52 0.35 2.02 -0.75 -0.89 112.91 114.74 2wv6 h THR 71 Ca 0.13 -0.35 -0.05 0.00 0.77 0.00 0.00 66.41 66.92 2wv6 h THR 71 Cb -0.05 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 2wv6 h THR 71 CO -0.03 0.14 0.15 -0.07 0.37 0.00 0.00 175.52 176.07 2wv6 h LEU 72 N 0.41 0.78 -0.55 2.58 3.38 -1.06 -0.26 115.31 120.59 2wv6 h LEU 72 Ca 0.12 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2wv6 h LEU 72 Cb 0.06 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2wv6 h LEU 72 CO -0.02 0.79 0.27 -0.09 0.09 0.00 0.00 178.44 179.49 2wv6 h ARG 73 N 0.72 0.79 -0.55 1.13 2.43 -1.08 -0.74 114.38 117.08 2wv6 h ARG 73 Ca 0.17 -0.11 0.05 0.00 -0.81 0.00 0.00 59.98 59.27 2wv6 h ARG 73 Cb 0.30 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.66 2wv6 h ARG 73 CO -0.00 0.64 0.29 0.00 -1.51 0.00 0.00 179.97 179.39 2wv6 h ALA 74 N 1.11 0.72 -0.38 2.80 0.00 -0.95 -1.14 119.26 121.41 2wv6 h ALA 74 Ca 0.19 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.17 2wv6 h ALA 74 Cb 0.10 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2wv6 h ALA 74 CO -0.03 -0.05 0.10 0.00 0.00 0.00 0.00 179.25 179.28 2wv6 h ALA 75 N 1.29 0.43 0.09 0.00 0.00 -0.73 -0.57 119.26 119.78 2wv6 h ALA 75 Ca 0.24 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2wv6 h ALA 75 Cb 0.14 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2wv6 h ALA 75 CO -0.16 -0.29 -0.07 -0.92 0.00 0.00 0.00 179.25 177.81 2wv6 h TYR 76 N 0.24 -0.17 -0.21 0.00 3.20 -0.74 -1.02 116.97 118.27 2wv6 h TYR 76 Ca 0.18 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 2wv6 h TYR 76 Cb 0.19 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 2wv6 h TYR 76 CO -0.17 -0.10 -0.12 0.74 -1.64 0.00 0.00 178.16 176.87 2wv6 h PHE 77 N -0.16 0.37 -0.00 -3.82 0.04 -0.95 -2.86 116.94 109.55 2wv6 h PHE 77 Ca -0.01 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.72 2wv6 h PHE 77 Cb 0.14 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.19 2wv6 h PHE 77 CO -0.09 0.46 -0.58 0.25 -0.60 0.00 0.00 178.31 177.75 2wv6 n THR 78 N -4.25 0.00 -1.74 -1.55 -2.24 -0.24 -4.96 114.28 99.30 2wv6 n THR 78 Ca -0.00 -0.03 -0.13 0.00 -2.27 0.00 0.00 64.05 61.61 2wv6 n THR 78 Cb 0.29 0.50 -0.04 0.00 -2.10 0.00 0.00 70.33 68.98 2wv6 n THR 78 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wv6 n GLY 79 N 1.47 0.77 3.82 3.38 0.00 -0.41 -5.00 105.19 109.23 2wv6 n GLY 79 Ca 0.06 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 2wv6 n GLY 79 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wv6 s ILE 80 N -2.57 4.36 0.12 -0.61 -4.36 -1.10 -4.76 121.20 112.28 2wv6 s ILE 80 Ca 0.00 1.36 -0.30 0.00 -0.26 0.00 0.00 60.65 61.45 2wv6 s ILE 80 Cb 0.00 -3.62 -0.06 0.00 1.25 0.00 0.00 42.46 40.03 2wv6 s ILE 80 CO 0.00 -0.43 1.08 -0.54 0.24 0.00 0.00 174.94 175.30 2wv6 s LYS 81 N -3.47 4.57 -0.22 0.37 1.02 -1.26 -4.44 119.74 116.31 2wv6 s LYS 81 Ca 0.62 1.65 -0.24 0.00 0.02 0.00 0.00 55.97 58.01 2wv6 s LYS 81 Cb -0.10 -3.33 -0.01 0.00 -0.52 0.00 0.00 37.83 33.86 2wv6 s LYS 81 CO 0.20 0.00 0.79 0.08 -0.92 0.00 0.00 175.35 175.50 2wv6 s VAL 82 N 0.27 4.88 -0.10 3.17 1.01 -0.10 -3.91 120.40 125.63 2wv6 s VAL 82 Ca 0.51 1.51 -0.04 0.00 0.00 0.00 0.00 61.98 63.96 2wv6 s VAL 82 Cb -0.27 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 31.99 2wv6 s VAL 82 CO 0.32 -0.02 0.14 -1.28 0.00 0.00 0.00 175.10 174.26 2wv6 h SER 83 N 7.59 -0.05 -5.02 3.32 0.87 -1.17 0.23 113.55 119.32 2wv6 h SER 83 Ca -0.26 -0.08 -0.15 0.00 -1.23 0.00 0.00 61.79 60.07 2wv6 h SER 83 Cb 1.11 0.01 -0.20 0.00 -0.44 0.00 0.00 62.40 62.88 2wv6 h SER 83 CO 0.85 0.48 -0.63 -0.54 -0.53 0.00 0.00 176.83 176.46 2wv6 s LYS 84 N -1.82 0.41 0.05 2.24 1.02 -1.10 -0.71 119.74 119.82 2wv6 s LYS 84 Ca -0.02 -0.63 0.07 0.00 0.02 0.00 0.00 55.97 55.40 2wv6 s LYS 84 Cb -0.00 0.16 -0.03 0.00 -0.52 0.00 0.00 37.83 37.43 2wv6 s LYS 84 CO 0.08 -0.08 -0.16 -0.51 -0.92 0.00 0.00 175.35 173.76 2wv6 s LEU 85 N -1.65 2.73 -0.27 3.17 1.43 -0.39 -0.72 118.68 122.99 2wv6 s LEU 85 Ca -0.12 -0.40 -0.13 0.00 -1.03 0.00 0.00 54.13 52.45 2wv6 s LEU 85 Cb -0.07 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.52 2wv6 s LEU 85 CO -0.02 0.24 0.26 0.00 0.23 0.00 0.00 176.35 177.07 2wv6 s VAL 87 N 1.83 1.44 0.09 0.00 -7.23 0.05 -0.17 120.40 116.41 2wv6 s VAL 87 Ca 0.10 -1.08 -0.29 0.00 -1.81 0.00 0.00 61.98 58.90 2wv6 s VAL 87 Cb -0.16 -1.26 -0.06 0.00 0.56 0.00 0.00 36.38 35.46 2wv6 s VAL 87 CO 0.10 0.16 0.92 0.26 -0.31 0.00 0.00 175.10 176.23 2wv6 s TRP 88 N -0.77 3.79 -2.58 2.82 0.51 0.39 -0.63 118.94 122.47 2wv6 s TRP 88 Ca 0.05 1.73 0.23 0.00 -2.12 0.00 0.00 56.10 55.99 2wv6 s TRP 88 Cb -0.08 -3.01 0.36 0.00 -0.81 0.00 0.00 33.47 29.93 2wv6 s TRP 88 CO 0.01 0.21 1.36 0.27 -0.51 0.00 0.00 176.95 178.29 2wv6 n ASN 89 N 2.86 3.34 -0.68 2.95 2.04 -0.19 -2.72 115.26 122.85 2wv6 n ASN 89 Ca 0.02 -1.99 0.05 0.00 -0.44 0.00 0.00 54.58 52.22 2wv6 n ASN 89 Cb 0.49 -0.18 0.16 0.00 -2.53 0.00 0.00 39.78 37.72 2wv6 n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 2wv6 n ASN 90 N 1.45 1.97 -4.18 0.53 0.23 -1.26 -4.84 115.26 109.15 2wv6 n ASN 90 Ca 0.18 -2.03 -0.15 0.00 -0.53 0.00 0.00 54.58 52.05 2wv6 n ASN 90 Cb 0.60 -0.26 -0.11 0.00 -2.08 0.00 0.00 39.78 37.93 2wv6 n ASN 90 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2wv6 s LYS 91 N -1.55 0.86 -0.09 -3.83 -0.14 -1.26 -5.10 119.74 108.63 2wv6 s LYS 91 Ca 0.24 -1.15 0.00 0.00 -1.36 0.00 0.00 55.97 53.70 2wv6 s LYS 91 Cb 0.13 -0.59 0.02 0.00 -1.68 0.00 0.00 37.83 35.70 2wv6 s LYS 91 CO 0.15 0.10 -0.08 0.99 -0.76 0.00 0.00 175.35 175.75 2wv6 s THR 92 N -2.32 0.95 0.81 2.17 2.01 -1.26 -2.60 115.64 115.41 2wv6 s THR 92 Ca 0.05 -0.29 -0.14 0.00 0.31 0.00 0.00 61.69 61.62 2wv6 s THR 92 Cb -0.04 -0.95 0.05 0.00 0.01 0.00 0.00 72.50 71.57 2wv6 s THR 92 CO 0.01 0.34 0.91 -2.65 -0.69 0.00 0.00 174.62 172.53 2wv6 n PRO 93 N 4.53 0.13 -1.68 4.92 -0.02 -1.26 -5.07 135.00 136.55 2wv6 n PRO 93 Ca -0.16 0.11 -0.39 0.00 -2.02 0.00 0.00 63.50 61.03 2wv6 n PRO 93 Cb 0.51 -2.20 0.03 0.00 -0.02 0.00 0.00 33.50 31.82 2wv6 n PRO 93 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2wv6 n ASN 94 N -2.24 1.88 -4.79 2.55 5.03 -1.07 -4.54 115.26 112.08 2wv6 n ASN 94 Ca 0.12 0.97 -0.29 0.00 0.87 0.00 0.00 54.58 56.24 2wv6 n ASN 94 Cb 0.51 -1.47 -0.06 0.00 -1.02 0.00 0.00 39.78 37.74 2wv6 n ASN 94 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 2wv6 s SER 95 N -0.89 5.57 -0.25 6.41 1.04 -1.10 -2.03 113.70 122.44 2wv6 s SER 95 Ca 0.69 -0.04 -0.22 0.00 0.48 0.00 0.00 55.95 56.86 2wv6 s SER 95 Cb -0.46 -1.49 -0.01 0.00 0.10 0.00 0.00 66.02 64.16 2wv6 s SER 95 CO 0.52 0.13 0.71 -0.63 0.98 0.00 0.00 173.24 174.95 2wv6 s ILE 96 N -1.53 4.92 -0.13 -1.02 1.01 -0.55 -0.46 121.20 123.44 2wv6 s ILE 96 Ca 0.30 1.28 0.02 0.00 0.00 0.00 0.00 60.65 62.26 2wv6 s ILE 96 Cb -0.11 -4.02 -0.24 0.00 0.01 0.00 0.00 42.46 38.10 2wv6 s ILE 96 CO 0.23 -0.03 0.32 0.00 0.00 0.00 0.00 174.94 175.46 2wv6 n ALA 97 N 5.86 1.19 -3.27 9.38 0.00 0.76 -4.55 120.51 129.88 2wv6 n ALA 97 Ca 0.02 -0.79 -0.14 0.00 0.00 0.00 0.00 53.44 52.53 2wv6 n ALA 97 Cb 0.48 -0.59 -0.07 0.00 0.00 0.00 0.00 19.45 19.27 2wv6 n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wv6 s ALA 98 N -2.56 -1.11 -0.05 0.00 0.00 -0.79 -4.96 121.76 112.31 2wv6 s ALA 98 Ca -0.18 0.54 0.03 0.00 0.00 0.00 0.00 51.96 52.35 2wv6 s ALA 98 Cb 0.07 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.38 2wv6 s ALA 98 CO 0.76 -0.38 -0.14 0.42 0.00 0.00 0.00 175.76 176.42 2wv6 s ILE 99 N -1.83 1.23 -0.14 0.00 1.01 -1.26 -0.36 121.20 119.86 2wv6 s ILE 99 Ca -0.09 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 59.99 2wv6 s ILE 99 Cb -0.02 -1.08 0.01 0.00 0.01 0.00 0.00 42.46 41.38 2wv6 s ILE 99 CO 0.02 0.37 -0.21 -0.70 0.00 0.00 0.00 174.94 174.42 2wv6 s GLU 100 N 0.22 3.05 -0.18 2.79 2.12 0.10 -5.01 118.70 121.80 2wv6 s GLU 100 Ca -0.06 -0.84 -0.03 0.00 0.36 0.00 0.00 54.97 54.39 2wv6 s GLU 100 Cb -0.12 -2.45 -0.02 0.00 0.26 0.00 0.00 34.13 31.80 2wv6 s GLU 100 CO 0.02 0.01 -0.05 -0.51 -0.54 0.00 0.00 175.26 174.19 2wv6 s LEU 101 N 0.76 3.04 0.00 2.70 1.43 -1.26 -0.77 118.68 124.58 2wv6 s LEU 101 Ca -0.08 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 2wv6 s LEU 101 Cb -0.16 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.32 2wv6 s LEU 101 CO -0.00 0.10 0.00 -1.54 0.23 0.00 0.00 176.35 175.13