#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 1.47 -0.00 0.00 -0.04 -1.26 -4.94 135.00 130.22 2wv6 n PRO 2 Ca 0.00 0.53 0.07 0.00 -0.04 0.00 0.00 63.50 64.06 2wv6 n PRO 2 Cb 0.00 -2.28 -0.09 0.00 -0.04 0.00 0.00 33.50 31.09 2wv6 n PRO 2 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2wv6 n GLN 3 N -0.41 1.60 -3.87 0.54 7.27 -1.26 -4.94 117.38 116.31 2wv6 n GLN 3 Ca 0.10 -0.06 -0.08 0.00 0.07 0.00 0.00 57.00 57.03 2wv6 n GLN 3 Cb 0.42 -1.23 -0.01 0.00 2.41 0.00 0.00 30.24 31.84 2wv6 n GLN 3 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2wv6 s ASN 4 N -2.87 -0.07 0.42 1.69 2.20 -1.26 -5.05 114.94 110.00 2wv6 s ASN 4 Ca 0.01 -0.90 0.14 0.00 -0.94 0.00 0.00 52.86 51.16 2wv6 s ASN 4 Cb 0.10 0.75 0.89 0.00 -2.00 0.00 0.00 41.25 40.99 2wv6 s ASN 4 CO 0.57 -1.45 1.93 -0.29 -2.94 0.00 0.00 177.10 174.93 2wv6 h ILE 5 N 2.04 1.18 -0.37 0.54 2.10 -1.96 -1.44 117.51 119.60 2wv6 h ILE 5 Ca -0.25 -0.87 -0.07 0.00 1.08 0.00 0.00 64.86 64.75 2wv6 h ILE 5 Cb 1.25 1.46 -0.01 0.00 -1.09 0.00 0.00 36.82 38.43 2wv6 h ILE 5 CO 0.32 0.25 -0.03 0.74 -1.08 0.00 0.00 178.15 178.35 2wv6 h THR 6 N 0.01 1.27 -0.27 2.19 2.02 -1.99 0.54 112.91 116.68 2wv6 h THR 6 Ca -0.00 -1.06 -0.04 0.00 0.77 0.00 0.00 66.41 66.08 2wv6 h THR 6 Cb 0.45 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 2wv6 h THR 6 CO 0.03 0.35 0.01 -0.33 0.37 0.00 0.00 175.52 175.95 2wv6 h GLU 7 N 0.49 0.47 -0.81 6.66 5.08 -1.87 -2.48 114.58 122.12 2wv6 h GLU 7 Ca 0.10 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2wv6 h GLU 7 Cb 0.52 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 2wv6 h GLU 7 CO 0.03 0.62 0.53 -0.07 -1.00 0.00 0.00 179.01 179.13 2wv6 h LEU 8 N 0.26 0.92 -1.33 1.33 3.38 -1.21 -2.92 115.31 115.73 2wv6 h LEU 8 Ca 0.08 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2wv6 h LEU 8 Cb 0.41 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2wv6 h LEU 8 CO 0.01 0.66 -0.27 0.00 0.09 0.00 0.00 178.44 178.93 2wv6 h SER 10 N 0.09 0.00 1.47 0.00 0.02 -1.25 -3.02 113.55 110.85 2wv6 h SER 10 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2wv6 h SER 10 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 2wv6 h SER 10 CO 0.04 0.00 -0.48 -0.33 -1.14 0.00 0.00 176.83 174.92 2wv6 h GLU 11 N 0.00 0.00 -6.70 3.45 5.08 -1.38 -3.46 114.58 111.57 2wv6 h GLU 11 Ca 0.00 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.89 2wv6 h GLU 11 Cb 0.22 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.50 2wv6 h GLU 11 CO 0.00 0.00 -0.08 0.71 -1.00 0.00 0.00 179.01 178.64 2wv6 s TYR 12 N -3.27 3.34 -0.05 4.33 1.51 -1.14 -5.10 117.35 116.97 2wv6 s TYR 12 Ca 0.04 0.35 -0.05 0.00 -1.01 0.00 0.00 57.07 56.40 2wv6 s TYR 12 Cb 0.08 -2.21 -0.04 0.00 -0.11 0.00 0.00 41.96 39.67 2wv6 s TYR 12 CO 0.72 -0.23 0.18 -1.01 -1.11 0.00 0.00 175.55 174.10 2wv6 s HIS 13 N -2.53 3.57 -1.12 2.71 3.76 -1.26 -4.56 115.29 115.87 2wv6 s HIS 13 Ca 0.46 0.46 -0.06 0.00 -0.15 0.00 0.00 55.06 55.76 2wv6 s HIS 13 Cb -0.10 -1.90 0.01 0.00 1.11 0.00 0.00 32.58 31.70 2wv6 s HIS 13 CO 0.39 0.68 0.97 0.09 -0.85 0.00 0.00 174.74 176.02 2wv6 n ASN 14 N 1.36 -5.09 -4.37 1.40 5.03 -1.26 -4.94 115.26 107.40 2wv6 n ASN 14 Ca -0.14 -0.46 -0.22 0.00 0.87 0.00 0.00 54.58 54.63 2wv6 n ASN 14 Cb 0.53 -4.32 -0.11 0.00 -1.02 0.00 0.00 39.78 34.87 2wv6 n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2wv6 s THR 15 N -3.27 1.96 0.12 3.41 -4.23 -1.26 -1.34 115.64 111.03 2wv6 s THR 15 Ca 0.41 -2.11 -0.09 0.00 -1.18 0.00 0.00 61.69 58.72 2wv6 s THR 15 Cb -0.18 -2.01 -0.00 0.00 1.34 0.00 0.00 72.50 71.65 2wv6 s THR 15 CO 0.61 -0.40 0.24 0.00 -0.54 0.00 0.00 174.62 174.53 2wv6 s GLN 16 N -3.18 0.99 -0.16 3.99 -2.07 -0.04 -4.92 119.66 114.28 2wv6 s GLN 16 Ca 0.21 -1.04 -0.13 0.00 -1.82 0.00 0.00 55.36 52.58 2wv6 s GLN 16 Cb -0.04 0.36 -0.05 0.00 -1.09 0.00 0.00 33.01 32.20 2wv6 s GLN 16 CO 0.08 -0.34 0.28 0.42 -1.32 0.00 0.00 175.29 174.42 2wv6 s ILE 17 N -3.90 5.31 -0.25 3.63 -1.09 -1.26 -1.14 121.20 122.50 2wv6 s ILE 17 Ca 0.10 0.53 -0.07 0.00 -2.23 0.00 0.00 60.65 58.98 2wv6 s ILE 17 Cb 0.04 -3.62 -0.03 0.00 -1.58 0.00 0.00 42.46 37.27 2wv6 s ILE 17 CO -0.06 0.40 0.07 -0.31 -1.23 0.00 0.00 174.94 173.81 2wv6 s TYR 18 N 0.38 3.09 -0.31 3.97 1.51 0.07 -4.99 117.35 121.08 2wv6 s TYR 18 Ca 0.16 -0.42 -0.16 0.00 -1.01 0.00 0.00 57.07 55.64 2wv6 s TYR 18 Cb -0.13 -2.24 -0.02 0.00 -0.11 0.00 0.00 41.96 39.46 2wv6 s TYR 18 CO 0.04 -0.36 0.43 -2.00 -1.11 0.00 0.00 175.55 172.55 2wv6 s GLU 19 N 1.62 3.81 -0.09 -0.62 2.12 -1.26 -1.21 118.70 123.07 2wv6 s GLU 19 Ca 0.06 -0.08 -0.04 0.00 0.36 0.00 0.00 54.97 55.28 2wv6 s GLU 19 Cb -0.15 -3.73 -0.04 0.00 0.26 0.00 0.00 34.13 30.46 2wv6 s GLU 19 CO 0.04 -0.45 -0.11 1.28 -0.54 0.00 0.00 175.26 175.48 2wv6 n LEU 20 N 5.50 1.00 -3.98 2.70 4.77 0.42 -5.00 117.00 122.40 2wv6 n LEU 20 Ca -0.07 0.08 -0.26 0.00 -0.03 0.00 0.00 56.01 55.73 2wv6 n LEU 20 Cb 0.50 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 2wv6 n LEU 20 CO 0.41 0.26 -0.21 0.59 -1.33 0.00 0.00 177.39 177.10 2wv6 n ASN 21 N -3.29 -0.62 -3.89 -1.43 3.02 -0.16 -4.98 115.26 103.91 2wv6 n ASN 21 Ca -0.17 -1.01 -0.09 0.00 -0.03 0.00 0.00 54.58 53.28 2wv6 n ASN 21 Cb 0.63 -3.03 -0.08 0.00 -0.61 0.00 0.00 39.78 36.69 2wv6 n ASN 21 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2wv6 s LYS 22 N -6.60 0.70 0.65 3.52 1.02 -0.75 -4.90 119.74 113.37 2wv6 s LYS 22 Ca 0.08 -0.79 -0.12 0.00 0.02 0.00 0.00 55.97 55.16 2wv6 s LYS 22 Cb -0.04 0.28 -0.02 0.00 -0.52 0.00 0.00 37.83 37.53 2wv6 s LYS 22 CO 0.89 -0.20 1.05 -1.83 -0.92 0.00 0.00 175.35 174.34 2wv6 s GLU 23 N -3.00 3.24 0.04 1.68 -1.05 -1.26 -0.34 118.70 118.01 2wv6 s GLU 23 Ca -0.02 0.92 -0.30 0.00 -0.15 0.00 0.00 54.97 55.42 2wv6 s GLU 23 Cb 0.01 -2.03 -0.05 0.00 -0.44 0.00 0.00 34.13 31.62 2wv6 s GLU 23 CO -0.06 -0.86 1.18 0.42 0.95 0.00 0.00 175.26 176.89 2wv6 s ILE 24 N -2.99 4.15 -0.06 1.83 1.01 -1.26 -4.64 121.20 119.23 2wv6 s ILE 24 Ca 0.58 1.53 -0.10 0.00 0.00 0.00 0.00 60.65 62.67 2wv6 s ILE 24 Cb -0.13 -3.98 -0.30 0.00 0.01 0.00 0.00 42.46 38.06 2wv6 s ILE 24 CO 0.51 0.10 0.63 0.50 0.00 0.00 0.00 174.94 176.68 2wv6 h LYS 25 N 6.90 0.36 -3.89 2.79 3.64 -0.89 -3.47 116.57 122.01 2wv6 h LYS 25 Ca -0.40 -0.62 -0.29 0.00 -1.27 0.00 0.00 60.65 58.07 2wv6 h LYS 25 Cb 1.21 0.23 -0.30 0.00 -0.41 0.00 0.00 32.23 32.96 2wv6 h LYS 25 CO 0.82 1.28 -0.74 0.99 -2.27 0.00 0.00 179.45 179.53 2wv6 s THR 26 N -2.58 0.16 -0.12 1.00 2.01 -0.67 -4.99 115.64 110.45 2wv6 s THR 26 Ca -0.16 -0.03 0.02 0.00 0.31 0.00 0.00 61.69 61.82 2wv6 s THR 26 Cb 0.06 -0.18 0.01 0.00 0.01 0.00 0.00 72.50 72.40 2wv6 s THR 26 CO 0.84 0.07 -0.17 -0.47 -0.69 0.00 0.00 174.62 174.20 2wv6 s TYR 27 N 0.27 2.16 -0.03 4.92 5.04 -1.26 -1.20 117.35 127.25 2wv6 s TYR 27 Ca -0.02 -1.04 0.04 0.00 -2.44 0.00 0.00 57.07 53.60 2wv6 s TYR 27 Cb -0.05 -1.53 -0.00 0.00 0.35 0.00 0.00 41.96 40.73 2wv6 s TYR 27 CO -0.01 -0.51 -0.14 0.99 -1.34 0.00 0.00 175.55 174.54 2wv6 s THR 28 N 0.95 1.16 -0.04 4.34 2.01 -0.12 -5.01 115.64 118.93 2wv6 s THR 28 Ca -0.07 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.38 2wv6 s THR 28 Cb -0.15 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.38 2wv6 s THR 28 CO -0.02 0.34 -0.03 -0.70 -0.69 0.00 0.00 174.62 173.52 2wv6 s GLU 29 N 0.09 0.61 0.01 4.92 2.12 -1.26 -0.64 118.70 124.55 2wv6 s GLU 29 Ca -0.03 -0.05 0.01 0.00 0.36 0.00 0.00 54.97 55.26 2wv6 s GLU 29 Cb -0.10 -0.68 -0.01 0.00 0.26 0.00 0.00 34.13 33.60 2wv6 s GLU 29 CO 0.01 -0.08 -0.04 -1.54 -0.54 0.00 0.00 175.26 173.07 2wv6 s SER 30 N 0.87 0.39 0.15 -1.70 1.04 -0.25 -4.99 113.70 109.20 2wv6 s SER 30 Ca -0.10 -0.26 -0.31 0.00 0.48 0.00 0.00 55.95 55.75 2wv6 s SER 30 Cb -0.13 0.01 -0.11 0.00 0.10 0.00 0.00 66.02 65.89 2wv6 s SER 30 CO -0.00 -0.10 1.81 0.18 0.98 0.00 0.00 173.24 176.11 2wv6 n LEU 31 N 2.35 4.04 -1.78 2.42 4.77 -1.26 -0.33 117.00 127.22 2wv6 n LEU 31 Ca -0.17 1.01 0.01 0.00 -0.03 0.00 0.00 56.01 56.82 2wv6 n LEU 31 Cb 0.57 -1.55 0.06 0.00 -2.33 0.00 0.00 43.42 40.16 2wv6 n LEU 31 CO 0.23 0.18 0.10 0.00 -1.33 0.00 0.00 177.39 176.57 2wv6 n ALA 32 N 5.19 2.83 -1.88 -1.18 0.00 -1.26 -4.84 120.51 119.37 2wv6 n ALA 32 Ca 0.17 -2.72 -0.11 0.00 0.00 0.00 0.00 53.44 50.79 2wv6 n ALA 32 Cb 0.37 -0.69 -0.03 0.00 0.00 0.00 0.00 19.45 19.11 2wv6 n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wv6 n GLY 33 N -0.14 0.26 3.48 0.00 0.00 -1.26 -4.95 105.19 102.58 2wv6 n GLY 33 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 2wv6 n GLY 33 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wv6 s GLU 36 N -3.95 3.67 0.19 1.61 2.12 -1.26 -5.31 118.70 115.76 2wv6 s GLU 36 Ca 0.00 -0.51 -0.30 0.00 0.36 0.00 0.00 54.97 54.52 2wv6 s GLU 36 Cb 0.00 -3.02 -0.08 0.00 0.26 0.00 0.00 34.13 31.30 2wv6 s GLU 36 CO 0.00 0.14 0.99 1.41 -0.54 0.00 0.00 175.26 177.25 2wv6 s MET 37 N 0.67 4.74 -0.08 4.30 -2.45 0.56 -4.90 119.30 122.13 2wv6 s MET 37 Ca -0.01 1.54 0.02 0.00 -1.25 0.00 0.00 55.69 55.99 2wv6 s MET 37 Cb -0.14 -3.31 0.01 0.00 1.25 0.00 0.00 34.83 32.65 2wv6 s MET 37 CO 0.02 0.32 -0.13 0.08 1.05 0.00 0.00 175.02 176.35 2wv6 s VAL 38 N -0.62 1.28 -0.06 10.11 1.01 -1.26 -1.09 120.40 129.77 2wv6 s VAL 38 Ca 0.45 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.91 2wv6 s VAL 38 Cb -0.26 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 34.96 2wv6 s VAL 38 CO 0.32 0.39 -0.15 -0.63 0.00 0.00 0.00 175.10 175.04 2wv6 s ILE 39 N 0.77 1.30 0.04 2.22 1.01 0.18 -1.56 121.20 125.16 2wv6 s ILE 39 Ca -0.12 -0.60 0.08 0.00 0.00 0.00 0.00 60.65 60.01 2wv6 s ILE 39 Cb -0.16 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.14 2wv6 s ILE 39 CO 0.02 0.39 -0.24 0.27 0.00 0.00 0.00 174.94 175.38 2wv6 s ILE 40 N 0.41 1.91 0.11 2.92 -4.36 0.13 -0.94 121.20 121.38 2wv6 s ILE 40 Ca -0.11 -1.29 0.04 0.00 -0.26 0.00 0.00 60.65 59.02 2wv6 s ILE 40 Cb -0.14 -1.64 -0.04 0.00 1.25 0.00 0.00 42.46 41.89 2wv6 s ILE 40 CO 0.04 0.29 -0.09 -0.94 0.24 0.00 0.00 174.94 174.47 2wv6 s SER 41 N -1.20 1.47 0.30 4.36 1.04 -0.34 -1.02 113.70 118.31 2wv6 s SER 41 Ca 0.10 -0.89 0.09 0.00 0.48 0.00 0.00 55.95 55.73 2wv6 s SER 41 Cb -0.09 0.02 -0.05 0.00 0.10 0.00 0.00 66.02 66.00 2wv6 s SER 41 CO 0.02 -0.31 0.03 -0.36 0.98 0.00 0.00 173.24 173.60 2wv6 s PHE 42 N -2.84 2.65 0.61 5.02 0.40 -0.65 -0.18 117.98 123.00 2wv6 s PHE 42 Ca 0.09 -0.31 0.32 0.00 -0.60 0.00 0.00 56.93 56.43 2wv6 s PHE 42 Cb -0.00 -1.37 1.89 0.00 0.51 0.00 0.00 43.02 44.05 2wv6 s PHE 42 CO -0.01 0.52 2.22 0.00 0.70 0.00 0.00 175.22 178.65 2wv6 h ALA 43 N 1.79 1.49 -0.01 5.36 0.00 -1.89 0.12 119.26 126.12 2wv6 h ALA 43 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2wv6 h ALA 43 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2wv6 h ALA 43 CO 0.62 -0.10 -0.04 0.27 0.00 0.00 0.00 179.25 180.01 2wv6 n ASN 44 N -3.63 1.10 0.00 0.00 0.23 -1.26 -4.93 115.26 106.76 2wv6 n ASN 44 Ca -0.02 -1.26 0.00 0.00 -0.53 0.00 0.00 54.58 52.77 2wv6 n ASN 44 Cb 0.16 0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.87 2wv6 n ASN 44 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wv6 n GLY 45 N 1.17 0.83 3.73 4.83 0.00 0.41 -5.04 105.19 111.11 2wv6 n GLY 45 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2wv6 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wv6 n ALA 46 N -0.78 2.63 -3.13 4.61 0.00 -1.26 -4.78 120.51 117.81 2wv6 n ALA 46 Ca 0.00 0.39 -0.19 0.00 0.00 0.00 0.00 53.44 53.64 2wv6 n ALA 46 Cb 0.00 -2.49 -0.15 0.00 0.00 0.00 0.00 19.45 16.81 2wv6 n ALA 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2wv6 s THR 47 N 0.69 0.66 0.02 0.00 2.01 -1.26 -1.63 115.64 116.14 2wv6 s THR 47 Ca 0.71 -0.28 -0.00 0.00 0.31 0.00 0.00 61.69 62.43 2wv6 s THR 47 Cb -0.51 -0.60 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 2wv6 s THR 47 CO 0.39 0.22 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.15 2wv6 s PHE 48 N 0.30 0.29 0.27 4.92 0.08 -0.19 -4.07 117.98 119.58 2wv6 s PHE 48 Ca -0.04 -0.57 0.11 0.00 0.12 0.00 0.00 56.93 56.55 2wv6 s PHE 48 Cb -0.09 -0.21 -0.05 0.00 -0.57 0.00 0.00 43.02 42.11 2wv6 s PHE 48 CO 0.00 -0.20 -0.15 1.14 -0.10 0.00 0.00 175.22 175.91 2wv6 s GLN 49 N -1.65 1.82 0.10 0.44 -2.07 -0.48 -0.69 119.66 117.14 2wv6 s GLN 49 Ca -0.14 -1.66 -0.30 0.00 -1.82 0.00 0.00 55.36 51.44 2wv6 s GLN 49 Cb -0.09 -1.87 -0.06 0.00 -1.09 0.00 0.00 33.01 29.90 2wv6 s GLN 49 CO -0.02 0.34 1.01 0.08 -1.32 0.00 0.00 175.29 175.39 2wv6 s VAL 50 N -2.40 4.40 0.00 3.63 1.01 -0.60 -1.33 120.40 125.10 2wv6 s VAL 50 Ca 0.30 1.92 0.00 0.00 0.00 0.00 0.00 61.98 64.20 2wv6 s VAL 50 Cb -0.06 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.09 2wv6 s VAL 50 CO 0.16 0.26 0.00 -0.62 0.00 0.00 0.00 175.10 174.90 2wv6 n GLU 51 N 3.01 0.00 0.00 2.72 1.02 -1.25 -4.80 120.64 121.33 2wv6 n GLU 51 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2wv6 n GLU 51 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.91 2wv6 n GLU 51 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2wv6 n GLN 61 N -1.84 0.00 -0.04 3.49 0.00 -1.26 -4.92 117.38 112.80 2wv6 n GLN 61 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.00 56.99 2wv6 n GLN 61 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.23 2wv6 n GLN 61 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 2wv6 h LYS 62 N 0.00 -0.01 0.08 3.69 3.64 -2.06 -0.95 116.57 120.97 2wv6 h LYS 62 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2wv6 h LYS 62 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2wv6 h LYS 62 CO 0.00 -0.01 -0.08 -0.09 -2.27 0.00 0.00 179.45 177.00 2wv6 h ARG 63 N -0.01 -0.18 -0.80 1.90 2.43 -2.06 -1.44 114.38 114.22 2wv6 h ARG 63 Ca 0.02 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2wv6 h ARG 63 Cb 0.05 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 2wv6 h ARG 63 CO -0.11 -0.12 0.52 -1.00 -1.51 0.00 0.00 179.97 177.75 2wv6 h PRO 64 N -0.18 1.06 -0.57 0.20 0.13 -1.99 -2.28 132.00 128.38 2wv6 h PRO 64 Ca 0.00 -0.07 -0.10 0.00 -0.87 0.00 0.00 66.00 64.97 2wv6 h PRO 64 Cb 0.18 -0.24 -0.02 0.00 0.13 0.00 0.00 31.00 31.05 2wv6 h PRO 64 CO -0.02 0.72 -0.02 -0.07 -0.23 0.00 0.00 178.00 178.37 2wv6 h LEU 65 N 1.09 0.98 -0.95 1.56 3.38 -0.82 -1.92 115.31 118.63 2wv6 h LEU 65 Ca 0.29 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2wv6 h LEU 65 Cb -0.10 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.36 2wv6 h LEU 65 CO -0.06 1.04 0.24 1.05 0.09 0.00 0.00 178.44 180.81 2wv6 h GLU 66 N 0.91 1.01 -0.33 1.13 4.11 -0.97 -1.46 114.58 118.98 2wv6 h GLU 66 Ca 0.16 -0.18 -0.03 0.00 0.07 0.00 0.00 59.36 59.38 2wv6 h GLU 66 Cb 0.56 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2wv6 h GLU 66 CO 0.03 0.84 0.08 -0.09 0.07 0.00 0.00 179.01 179.95 2wv6 h ARG 67 N 0.98 0.53 -0.79 1.06 2.43 -0.99 -1.22 114.38 116.38 2wv6 h ARG 67 Ca 0.22 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 2wv6 h ARG 67 Cb 0.23 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 2wv6 h ARG 67 CO -0.02 0.58 0.34 1.98 -1.51 0.00 0.00 179.97 181.35 2wv6 h MET 68 N 0.38 1.16 -0.71 0.20 4.05 -1.19 -0.31 114.93 118.50 2wv6 h MET 68 Ca 0.10 -0.19 -0.01 0.00 -0.28 0.00 0.00 59.70 59.32 2wv6 h MET 68 Cb 0.29 -0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 30.86 2wv6 h MET 68 CO 0.00 0.92 0.39 0.87 0.23 0.00 0.00 176.91 179.32 2wv6 h LYS 69 N 1.13 0.99 -0.72 0.39 1.57 -1.03 -1.58 116.57 117.32 2wv6 h LYS 69 Ca 0.27 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 2wv6 h LYS 69 Cb 0.17 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 2wv6 h LYS 69 CO -0.03 0.73 0.34 -0.44 -0.57 0.00 0.00 179.45 179.49 2wv6 h ASP 70 N 0.97 0.95 -0.30 0.86 3.32 -0.80 -1.41 116.42 120.01 2wv6 h ASP 70 Ca 0.25 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 2wv6 h ASP 70 Cb 0.03 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 2wv6 h ASP 70 CO -0.04 0.82 0.09 0.74 -1.72 0.00 0.00 179.24 179.13 2wv6 h THR 71 N 1.01 1.21 -0.45 0.35 2.02 -0.47 -0.85 112.91 115.73 2wv6 h THR 71 Ca 0.25 -0.67 -0.07 0.00 0.77 0.00 0.00 66.41 66.69 2wv6 h THR 71 Cb 0.13 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 2wv6 h THR 71 CO -0.03 0.23 0.02 -0.07 0.37 0.00 0.00 175.52 176.04 2wv6 h LEU 72 N 0.33 0.76 -0.14 2.58 3.38 -1.29 -0.03 115.31 120.90 2wv6 h LEU 72 Ca 0.10 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.80 2wv6 h LEU 72 Cb 0.26 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2wv6 h LEU 72 CO -0.00 0.87 -0.04 -0.09 0.09 0.00 0.00 178.44 179.27 2wv6 h ARG 73 N 0.63 0.00 -0.62 1.13 2.43 -1.17 -1.41 114.38 115.38 2wv6 h ARG 73 Ca 0.13 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 2wv6 h ARG 73 Cb 0.46 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 2wv6 h ARG 73 CO 0.02 0.00 0.40 0.00 -1.51 0.00 0.00 179.97 178.88 2wv6 h ALA 74 N 1.14 0.79 -0.71 2.80 0.00 -1.01 -1.87 119.26 120.41 2wv6 h ALA 74 Ca 0.07 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.05 2wv6 h ALA 74 Cb 0.11 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 17.58 2wv6 h ALA 74 CO -0.15 0.19 0.31 0.00 0.00 0.00 0.00 179.25 179.61 2wv6 h ALA 75 N 1.24 0.97 0.33 0.00 0.00 -0.75 -1.38 119.26 119.67 2wv6 h ALA 75 Ca 0.23 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 2wv6 h ALA 75 Cb -0.07 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2wv6 h ALA 75 CO -0.06 -0.13 -0.16 -0.92 0.00 0.00 0.00 179.25 177.98 2wv6 h TYR 76 N 0.51 -0.41 -0.01 0.00 3.20 -0.74 0.71 116.97 120.24 2wv6 h TYR 76 Ca 0.37 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.18 2wv6 h TYR 76 Cb 0.46 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 2wv6 h TYR 76 CO -0.14 -0.25 -0.21 0.74 -1.64 0.00 0.00 178.16 176.66 2wv6 h PHE 77 N -0.45 0.01 0.00 -3.82 -1.00 -0.98 -2.97 116.94 107.74 2wv6 h PHE 77 Ca -0.05 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.73 2wv6 h PHE 77 Cb 0.34 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.90 2wv6 h PHE 77 CO -0.05 0.22 -1.19 0.25 -1.61 0.00 0.00 178.31 175.93 2wv6 n THR 78 N -4.29 0.00 -1.94 -1.55 -2.24 -0.55 -4.98 114.28 98.74 2wv6 n THR 78 Ca -0.02 -0.10 -0.09 0.00 -2.27 0.00 0.00 64.05 61.56 2wv6 n THR 78 Cb 0.27 0.77 -0.01 0.00 -2.10 0.00 0.00 70.33 69.26 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 1.45 0.28 3.85 3.38 0.00 0.21 -4.99 105.19 109.36 2wv6 n GLY 79 Ca 0.02 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.44 4.59 0.05 -0.61 -5.25 -1.00 -4.77 121.20 111.77 2wv6 s ILE 80 Ca 0.00 1.07 -0.30 0.00 -0.99 0.00 0.00 60.65 60.43 2wv6 s ILE 80 Cb 0.00 -3.71 -0.04 0.00 2.95 0.00 0.00 42.46 41.65 2wv6 s ILE 80 CO 0.00 -0.61 1.02 -0.54 -1.79 0.00 0.00 174.94 173.02 2wv6 s LYS 81 N -3.94 4.57 -0.29 0.37 1.02 -1.26 -4.42 119.74 115.80 2wv6 s LYS 81 Ca 0.57 1.51 -0.24 0.00 0.02 0.00 0.00 55.97 57.83 2wv6 s LYS 81 Cb -0.10 -3.41 -0.00 0.00 -0.52 0.00 0.00 37.83 33.80 2wv6 s LYS 81 CO 0.30 -0.01 0.82 0.08 -0.92 0.00 0.00 175.35 175.61 2wv6 s VAL 82 N 0.69 4.79 -0.05 3.17 1.01 0.54 -3.89 120.40 126.65 2wv6 s VAL 82 Ca 0.52 1.33 -0.06 0.00 0.00 0.00 0.00 61.98 63.76 2wv6 s VAL 82 Cb -0.24 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 2wv6 s VAL 82 CO 0.29 -0.21 0.30 -1.28 0.00 0.00 0.00 175.10 174.20 2wv6 h SER 83 N 7.99 -0.20 -5.00 3.32 0.87 -1.30 -0.20 113.55 119.04 2wv6 h SER 83 Ca -0.24 0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.17 2wv6 h SER 83 Cb 1.09 0.05 -0.21 0.00 -0.44 0.00 0.00 62.40 62.90 2wv6 h SER 83 CO 0.89 0.18 -0.65 -0.54 -0.53 0.00 0.00 176.83 176.18 2wv6 s LYS 84 N -2.27 0.37 -0.02 2.24 1.02 -0.87 -0.44 119.74 119.77 2wv6 s LYS 84 Ca -0.03 -0.61 0.07 0.00 0.02 0.00 0.00 55.97 55.42 2wv6 s LYS 84 Cb 0.00 0.14 -0.02 0.00 -0.52 0.00 0.00 37.83 37.43 2wv6 s LYS 84 CO 0.10 -0.07 -0.21 -0.51 -0.92 0.00 0.00 175.35 173.74 2wv6 s LEU 85 N -1.54 2.04 -0.25 3.17 1.43 -0.35 -0.83 118.68 122.36 2wv6 s LEU 85 Ca -0.14 -0.39 -0.10 0.00 -1.03 0.00 0.00 54.13 52.46 2wv6 s LEU 85 Cb -0.08 -1.11 -0.05 0.00 0.03 0.00 0.00 46.19 44.98 2wv6 s LEU 85 CO -0.01 0.26 0.15 0.00 0.23 0.00 0.00 176.35 176.98 2wv6 s VAL 87 N 1.30 1.06 -0.25 0.00 -7.23 -0.29 0.27 120.40 115.26 2wv6 s VAL 87 Ca 0.07 -1.39 -0.27 0.00 -1.81 0.00 0.00 61.98 58.58 2wv6 s VAL 87 Cb -0.14 -1.13 0.00 0.00 0.56 0.00 0.00 36.38 35.67 2wv6 s VAL 87 CO 0.06 -0.32 0.93 0.26 -0.31 0.00 0.00 175.10 175.72 2wv6 s TRP 88 N -1.58 3.30 -2.25 2.82 0.51 0.11 -0.86 118.94 120.98 2wv6 s TRP 88 Ca -0.00 1.26 0.20 0.00 -2.12 0.00 0.00 56.10 55.44 2wv6 s TRP 88 Cb -0.08 -3.20 0.53 0.00 -0.81 0.00 0.00 33.47 29.91 2wv6 s TRP 88 CO 0.02 -0.47 1.44 0.27 -0.51 0.00 0.00 176.95 177.70 2wv6 n ASN 89 N 6.21 2.87 -1.76 2.95 2.04 -0.45 -2.41 115.26 124.71 2wv6 n ASN 89 Ca 0.09 -1.93 -0.12 0.00 -0.44 0.00 0.00 54.58 52.18 2wv6 n ASN 89 Cb 0.47 -0.26 0.22 0.00 -2.53 0.00 0.00 39.78 37.68 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 1.09 3.61 -4.11 0.53 6.94 -1.26 -4.96 115.26 117.10 2wv6 n ASN 90 Ca 0.18 -3.53 -0.12 0.00 -0.02 0.00 0.00 54.58 51.09 2wv6 n ASN 90 Cb 0.49 -0.74 -0.11 0.00 -2.36 0.00 0.00 39.78 37.07 2wv6 n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2wv6 s LYS 91 N -3.18 0.65 -0.18 -3.83 -0.14 -1.25 -5.08 119.74 106.72 2wv6 s LYS 91 Ca 0.52 -1.00 -0.01 0.00 -1.36 0.00 0.00 55.97 54.12 2wv6 s LYS 91 Cb 0.44 -0.24 0.05 0.00 -1.68 0.00 0.00 37.83 36.39 2wv6 s LYS 91 CO 0.08 0.02 -0.04 0.99 -0.76 0.00 0.00 175.35 175.64 2wv6 s THR 92 N -2.35 1.11 1.21 2.17 2.01 -1.26 -2.37 115.64 116.16 2wv6 s THR 92 Ca -0.01 -0.75 -0.17 0.00 0.31 0.00 0.00 61.69 61.08 2wv6 s THR 92 Cb -0.03 -1.36 0.29 0.00 0.01 0.00 0.00 72.50 71.41 2wv6 s THR 92 CO -0.02 0.03 1.04 -2.16 -0.69 0.00 0.00 174.62 172.81 2wv6 s PRO 93 N 1.62 -1.24 0.44 4.92 0.04 -1.26 -5.04 135.00 134.48 2wv6 s PRO 93 Ca -0.01 0.36 -0.26 0.00 0.04 0.00 0.00 61.00 61.13 2wv6 s PRO 93 Cb -0.16 -1.56 -0.08 0.00 0.04 0.00 0.00 34.50 32.74 2wv6 s PRO 93 CO -0.07 -3.81 1.43 -0.80 0.04 0.00 0.00 177.00 173.78 2wv6 s ASN 94 N -3.21 5.92 -0.12 6.66 0.02 -1.00 -4.55 114.94 118.66 2wv6 s ASN 94 Ca 0.68 2.93 -0.09 0.00 -1.02 0.00 0.00 52.86 55.36 2wv6 s ASN 94 Cb -0.17 -2.65 -0.04 0.00 0.02 0.00 0.00 41.25 38.40 2wv6 s ASN 94 CO 0.59 -1.14 0.19 -0.55 0.02 0.00 0.00 177.10 176.21 2wv6 s SER 95 N -0.48 6.42 -0.15 -1.22 0.15 -1.01 -1.38 113.70 116.04 2wv6 s SER 95 Ca 0.60 0.49 -0.24 0.00 0.70 0.00 0.00 55.95 57.50 2wv6 s SER 95 Cb -0.44 -2.11 -0.02 0.00 -1.71 0.00 0.00 66.02 61.74 2wv6 s SER 95 CO 0.57 0.33 0.78 -0.63 1.20 0.00 0.00 173.24 175.49 2wv6 s ILE 96 N -0.66 4.93 -0.20 6.45 1.01 -0.44 0.05 121.20 132.35 2wv6 s ILE 96 Ca 0.15 1.55 0.01 0.00 0.00 0.00 0.00 60.65 62.36 2wv6 s ILE 96 Cb -0.13 -4.10 -0.21 0.00 0.01 0.00 0.00 42.46 38.04 2wv6 s ILE 96 CO 0.04 0.09 0.04 0.00 0.00 0.00 0.00 174.94 175.12 2wv6 n ALA 97 N 4.86 1.26 -2.93 9.38 0.00 0.14 -3.96 120.51 129.25 2wv6 n ALA 97 Ca 0.03 -0.94 -0.11 0.00 0.00 0.00 0.00 53.44 52.42 2wv6 n ALA 97 Cb 0.49 -0.34 -0.07 0.00 0.00 0.00 0.00 19.45 19.54 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 -2.53 -0.68 -0.01 0.00 0.00 -0.93 -4.99 121.76 112.62 2wv6 s ALA 98 Ca -0.27 -0.09 0.03 0.00 0.00 0.00 0.00 51.96 51.63 2wv6 s ALA 98 Cb 0.08 0.43 -0.01 0.00 0.00 0.00 0.00 23.12 23.62 2wv6 s ALA 98 CO 0.69 -0.48 -0.12 -1.50 0.00 0.00 0.00 175.76 174.35 2wv6 s ILE 99 N -3.04 0.92 -0.15 0.00 2.07 -1.26 -1.21 121.20 118.52 2wv6 s ILE 99 Ca -0.02 -0.49 0.01 0.00 -1.41 0.00 0.00 60.65 58.75 2wv6 s ILE 99 Cb 0.01 -0.77 0.01 0.00 0.13 0.00 0.00 42.46 41.83 2wv6 s ILE 99 CO -0.06 0.26 -0.18 -0.70 -1.91 0.00 0.00 174.94 172.35 2wv6 s GLU 100 N -0.22 3.11 -0.12 3.50 2.12 -0.01 -5.01 118.70 122.07 2wv6 s GLU 100 Ca 0.04 -0.80 -0.03 0.00 0.36 0.00 0.00 54.97 54.53 2wv6 s GLU 100 Cb -0.05 -2.55 -0.03 0.00 0.26 0.00 0.00 34.13 31.75 2wv6 s GLU 100 CO -0.00 -0.03 -0.01 -0.51 -0.54 0.00 0.00 175.26 174.17 2wv6 s LEU 101 N 0.90 3.48 0.00 2.70 1.43 -1.26 -1.00 118.68 124.93 2wv6 s LEU 101 Ca -0.04 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 2wv6 s LEU 101 Cb -0.15 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.25 2wv6 s LEU 101 CO -0.03 0.27 0.00 -0.24 0.23 0.00 0.00 176.35 176.59