#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 1.06 0.00 0.00 -0.02 -1.26 -4.94 135.00 129.84 2wv6 n PRO 2 Ca 0.00 0.39 0.03 0.00 -2.02 0.00 0.00 63.50 61.90 2wv6 n PRO 2 Cb 0.00 -1.99 -0.01 0.00 -0.02 0.00 0.00 33.50 31.48 2wv6 n PRO 2 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2wv6 n GLN 3 N -0.14 3.03 -3.91 -0.52 6.02 -1.26 -4.93 117.38 115.66 2wv6 n GLN 3 Ca 0.11 -0.35 -0.09 0.00 -0.01 0.00 0.00 57.00 56.66 2wv6 n GLN 3 Cb 0.42 -0.90 -0.02 0.00 1.02 0.00 0.00 30.24 30.77 2wv6 n GLN 3 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2wv6 s ASN 4 N -1.09 0.05 0.36 1.08 2.20 -1.26 -5.06 114.94 111.22 2wv6 s ASN 4 Ca 0.04 -0.99 0.05 0.00 -0.94 0.00 0.00 52.86 51.02 2wv6 s ASN 4 Cb 0.04 0.73 0.72 0.00 -2.00 0.00 0.00 41.25 40.74 2wv6 s ASN 4 CO 0.16 -1.41 1.98 -0.29 -2.94 0.00 0.00 177.10 174.60 2wv6 h ILE 5 N 2.08 1.06 -0.02 0.54 2.10 -1.97 -0.47 117.51 120.83 2wv6 h ILE 5 Ca -0.26 -0.26 -0.00 0.00 1.08 0.00 0.00 64.86 65.41 2wv6 h ILE 5 Cb 1.25 0.23 -0.00 0.00 -1.09 0.00 0.00 36.82 37.20 2wv6 h ILE 5 CO 0.34 0.14 0.01 0.74 -1.08 0.00 0.00 178.15 178.30 2wv6 h THR 6 N 0.77 1.18 -0.64 2.19 2.02 -1.99 0.29 112.91 116.73 2wv6 h THR 6 Ca 0.28 -0.54 0.01 0.00 0.77 0.00 0.00 66.41 66.93 2wv6 h THR 6 Cb 0.15 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 2wv6 h THR 6 CO -0.09 0.14 0.42 -0.33 0.37 0.00 0.00 175.52 176.04 2wv6 h GLU 7 N -0.18 0.84 -0.29 6.66 5.08 -1.93 -1.96 114.58 122.80 2wv6 h GLU 7 Ca 0.01 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 2wv6 h GLU 7 Cb 0.23 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2wv6 h GLU 7 CO -0.00 0.56 -0.27 1.25 -1.00 0.00 0.00 179.01 179.56 2wv6 h LEU 8 N 0.87 0.74 -1.28 1.33 5.85 -0.83 -3.23 115.31 118.76 2wv6 h LEU 8 Ca 0.23 -0.46 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 2wv6 h LEU 8 Cb -0.10 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 2wv6 h LEU 8 CO -0.05 1.05 -0.01 0.00 -0.34 0.00 0.00 178.44 179.09 2wv6 n SER 10 N -4.29 0.00 -0.14 0.00 3.41 -0.79 -1.95 113.62 109.86 2wv6 n SER 10 Ca 0.01 0.09 0.14 0.00 -0.26 0.00 0.00 58.87 58.85 2wv6 n SER 10 Cb 0.24 -0.30 0.62 0.00 -0.26 0.00 0.00 64.21 64.51 2wv6 n SER 10 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wv6 n GLU 11 N -1.30 0.78 -4.21 4.33 -0.58 -0.54 -4.87 120.64 114.26 2wv6 n GLU 11 Ca 0.07 -0.28 -0.22 0.00 -0.42 0.00 0.00 57.16 56.31 2wv6 n GLU 11 Cb 0.13 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 29.45 2wv6 n GLU 11 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2wv6 s TYR 12 N -2.41 2.90 -0.18 -0.32 1.51 -0.82 -5.13 117.35 112.90 2wv6 s TYR 12 Ca 0.31 -0.17 -0.08 0.00 -1.01 0.00 0.00 57.07 56.12 2wv6 s TYR 12 Cb 0.20 -1.30 -0.04 0.00 -0.11 0.00 0.00 41.96 40.71 2wv6 s TYR 12 CO 0.46 0.57 0.09 -1.58 -1.11 0.00 0.00 175.55 173.98 2wv6 s HIS 13 N -2.22 3.32 -1.31 2.71 5.65 -1.26 -4.45 115.29 117.73 2wv6 s HIS 13 Ca 0.32 0.18 -0.04 0.00 0.25 0.00 0.00 55.06 55.77 2wv6 s HIS 13 Cb -0.07 -2.10 0.01 0.00 -1.18 0.00 0.00 32.58 29.25 2wv6 s HIS 13 CO 0.22 0.23 0.97 0.09 -0.65 0.00 0.00 174.74 175.60 2wv6 n ASN 14 N 3.44 -3.23 -4.68 9.88 3.02 -1.26 -4.97 115.26 117.46 2wv6 n ASN 14 Ca -0.17 -0.67 -0.24 0.00 -0.03 0.00 0.00 54.58 53.47 2wv6 n ASN 14 Cb 0.52 -4.66 -0.07 0.00 -0.61 0.00 0.00 39.78 34.96 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 -3.42 3.72 0.07 3.41 -4.23 -1.26 -3.67 115.64 110.26 2wv6 s THR 15 Ca 0.23 -1.67 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 2wv6 s THR 15 Cb -0.11 -2.96 -0.04 0.00 1.34 0.00 0.00 72.50 70.73 2wv6 s THR 15 CO 0.76 -0.29 -0.04 -1.10 -0.54 0.00 0.00 174.62 173.41 2wv6 s GLN 16 N -3.48 0.71 -0.31 3.99 -1.52 -0.05 -4.95 119.66 114.05 2wv6 s GLN 16 Ca 0.30 -1.27 -0.12 0.00 -1.95 0.00 0.00 55.36 52.32 2wv6 s GLN 16 Cb -0.08 0.04 -0.03 0.00 -0.22 0.00 0.00 33.01 32.72 2wv6 s GLN 16 CO 0.20 -0.08 0.20 0.42 -0.25 0.00 0.00 175.29 175.79 2wv6 s ILE 17 N -3.80 5.18 -0.28 1.08 -1.09 -1.26 -0.86 121.20 120.17 2wv6 s ILE 17 Ca 0.09 -0.09 -0.11 0.00 -2.23 0.00 0.00 60.65 58.32 2wv6 s ILE 17 Cb 0.07 -3.58 -0.04 0.00 -1.58 0.00 0.00 42.46 37.33 2wv6 s ILE 17 CO -0.08 0.11 0.19 -0.47 -1.23 0.00 0.00 174.94 173.46 2wv6 s TYR 18 N 1.72 3.21 -0.02 3.97 5.04 0.68 -4.97 117.35 126.99 2wv6 s TYR 18 Ca 0.06 0.03 -0.16 0.00 -2.44 0.00 0.00 57.07 54.55 2wv6 s TYR 18 Cb -0.17 -2.38 -0.05 0.00 0.35 0.00 0.00 41.96 39.71 2wv6 s TYR 18 CO 0.10 -0.20 0.45 -2.00 -1.34 0.00 0.00 175.55 172.56 2wv6 s GLU 19 N 1.74 4.09 0.12 4.97 2.12 -1.26 -1.33 118.70 129.15 2wv6 s GLU 19 Ca 0.07 0.48 0.00 0.00 0.36 0.00 0.00 54.97 55.88 2wv6 s GLU 19 Cb -0.16 -3.28 0.00 0.00 0.26 0.00 0.00 34.13 30.94 2wv6 s GLU 19 CO 0.10 0.53 0.00 1.28 -0.54 0.00 0.00 175.26 176.64 2wv6 n LEU 20 N 2.32 0.35 -3.85 2.70 4.77 -0.06 -5.00 117.00 118.22 2wv6 n LEU 20 Ca -0.11 0.19 -0.24 0.00 -0.03 0.00 0.00 56.01 55.81 2wv6 n LEU 20 Cb 0.52 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2wv6 n LEU 20 CO 0.40 -0.68 -0.14 0.59 -1.33 0.00 0.00 177.39 176.23 2wv6 n ASN 21 N -3.13 -0.93 -3.87 -1.43 3.02 -0.26 -5.00 115.26 103.66 2wv6 n ASN 21 Ca 0.00 -0.92 -0.11 0.00 -0.03 0.00 0.00 54.58 53.52 2wv6 n ASN 21 Cb 0.00 -3.50 -0.09 0.00 -0.61 0.00 0.00 39.78 35.58 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 -6.33 0.55 0.62 3.52 1.02 -1.01 -4.90 119.74 113.21 2wv6 s LYS 22 Ca 0.05 -0.49 -0.15 0.00 0.02 0.00 0.00 55.97 55.40 2wv6 s LYS 22 Cb -0.03 0.23 -0.02 0.00 -0.52 0.00 0.00 37.83 37.49 2wv6 s LYS 22 CO 0.86 -0.14 1.06 -1.83 -0.92 0.00 0.00 175.35 174.38 2wv6 s GLU 23 N -1.81 3.17 0.04 1.68 -1.05 -1.26 -1.45 118.70 118.03 2wv6 s GLU 23 Ca -0.11 1.19 -0.30 0.00 -0.15 0.00 0.00 54.97 55.60 2wv6 s GLU 23 Cb -0.05 -2.01 -0.05 0.00 -0.44 0.00 0.00 34.13 31.58 2wv6 s GLU 23 CO -0.00 -0.93 1.17 0.42 0.95 0.00 0.00 175.26 176.88 2wv6 s ILE 24 N -2.53 4.16 -0.03 1.83 1.01 -1.26 -4.65 121.20 119.73 2wv6 s ILE 24 Ca 0.63 1.54 -0.02 0.00 0.00 0.00 0.00 60.65 62.80 2wv6 s ILE 24 Cb -0.16 -3.99 -0.27 0.00 0.01 0.00 0.00 42.46 38.05 2wv6 s ILE 24 CO 0.40 0.10 0.71 0.50 0.00 0.00 0.00 174.94 176.65 2wv6 h LYS 25 N 6.90 0.23 -3.85 2.79 3.64 -1.20 -3.47 116.57 121.61 2wv6 h LYS 25 Ca -0.40 -0.39 -0.24 0.00 -1.27 0.00 0.00 60.65 58.34 2wv6 h LYS 25 Cb 1.21 0.14 -0.28 0.00 -0.41 0.00 0.00 32.23 32.90 2wv6 h LYS 25 CO 0.81 1.06 -0.73 0.99 -2.27 0.00 0.00 179.45 179.32 2wv6 s THR 26 N -2.60 0.08 -0.11 1.00 2.01 -0.99 -5.01 115.64 110.03 2wv6 s THR 26 Ca -0.12 -0.09 0.01 0.00 0.31 0.00 0.00 61.69 61.80 2wv6 s THR 26 Cb 0.07 -0.09 0.02 0.00 0.01 0.00 0.00 72.50 72.51 2wv6 s THR 26 CO 0.83 -0.01 -0.14 -0.47 -0.69 0.00 0.00 174.62 174.15 2wv6 s TYR 27 N -0.10 1.89 -0.06 4.92 5.04 -1.26 -1.30 117.35 126.48 2wv6 s TYR 27 Ca -0.01 -0.93 0.03 0.00 -2.44 0.00 0.00 57.07 53.73 2wv6 s TYR 27 Cb -0.01 -1.40 0.00 0.00 0.35 0.00 0.00 41.96 40.91 2wv6 s TYR 27 CO -0.00 -0.51 -0.15 0.99 -1.34 0.00 0.00 175.55 174.54 2wv6 s THR 28 N 1.18 1.35 0.02 4.34 2.01 0.09 -5.01 115.64 119.62 2wv6 s THR 28 Ca -0.03 -0.63 0.04 0.00 0.31 0.00 0.00 61.69 61.37 2wv6 s THR 28 Cb -0.14 -1.19 -0.02 0.00 0.01 0.00 0.00 72.50 71.16 2wv6 s THR 28 CO -0.04 0.40 -0.11 -1.83 -0.69 0.00 0.00 174.62 172.35 2wv6 s GLU 29 N 0.37 0.78 -0.03 4.92 -1.05 -1.26 -0.76 118.70 121.67 2wv6 s GLU 29 Ca -0.11 -0.59 -0.08 0.00 -0.15 0.00 0.00 54.97 54.04 2wv6 s GLU 29 Cb -0.14 -0.73 0.01 0.00 -0.44 0.00 0.00 34.13 32.83 2wv6 s GLU 29 CO 0.04 0.18 0.18 0.45 0.95 0.00 0.00 175.26 177.06 2wv6 s SER 30 N -0.87 -0.09 0.00 0.83 0.15 -0.36 -4.97 113.70 108.39 2wv6 s SER 30 Ca 0.00 0.07 -0.30 0.00 0.70 0.00 0.00 55.95 56.42 2wv6 s SER 30 Cb -0.07 0.30 -0.04 0.00 -1.71 0.00 0.00 66.02 64.50 2wv6 s SER 30 CO 0.01 -0.26 1.21 -0.76 1.20 0.00 0.00 173.24 174.63 2wv6 s LEU 31 N -0.78 4.32 0.43 3.45 1.43 -1.26 -0.61 118.68 125.66 2wv6 s LEU 31 Ca -0.09 1.92 0.03 0.00 -1.03 0.00 0.00 54.13 54.97 2wv6 s LEU 31 Cb -0.05 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.58 2wv6 s LEU 31 CO 0.01 -0.53 0.11 0.00 0.23 0.00 0.00 176.35 176.17 2wv6 s ALA 32 N 1.69 3.15 0.10 4.21 0.00 -0.75 -4.87 121.76 125.29 2wv6 s ALA 32 Ca 0.58 -1.07 -0.31 0.00 0.00 0.00 0.00 51.96 51.16 2wv6 s ALA 32 Cb -0.27 0.62 -0.08 0.00 0.00 0.00 0.00 23.12 23.40 2wv6 s ALA 32 CO 0.26 -0.28 1.38 0.20 0.00 0.00 0.00 175.76 177.31 2wv6 s GLY 33 N -3.66 2.00 0.00 0.00 0.00 -1.26 -3.51 107.32 100.90 2wv6 s GLY 33 Ca 0.20 1.09 0.00 0.00 0.00 0.00 0.00 44.72 46.01 2wv6 s GLY 33 CO 0.13 2.33 0.00 -1.72 0.00 0.00 0.00 173.10 173.84 2wv6 n TYR 34 N 4.02 0.00 -3.49 1.90 4.01 -1.26 -4.90 117.16 117.44 2wv6 n TYR 34 Ca 0.11 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.73 2wv6 n TYR 34 Cb 0.43 -0.19 -0.03 0.00 -0.31 0.00 0.00 39.34 39.24 2wv6 n TYR 34 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 2wv6 s ARG 35 N 0.00 1.20 0.08 -0.72 3.03 -1.23 -4.96 118.95 116.35 2wv6 s ARG 35 Ca 0.00 -0.48 -0.18 0.00 2.03 0.00 0.00 55.73 57.11 2wv6 s ARG 35 Cb 0.00 0.55 -0.07 0.00 -1.03 0.00 0.00 34.95 34.40 2wv6 s ARG 35 CO 0.00 -0.50 0.55 -1.21 -1.13 0.00 0.00 175.30 173.00 2wv6 s GLU 36 N -3.55 4.13 0.22 3.89 2.02 -1.26 -1.82 118.70 122.32 2wv6 s GLU 36 Ca 0.00 0.65 -0.29 0.00 0.02 0.00 0.00 54.97 55.35 2wv6 s GLU 36 Cb -0.00 -3.18 -0.09 0.00 0.10 0.00 0.00 34.13 30.96 2wv6 s GLU 36 CO -0.11 0.62 0.92 1.41 0.02 0.00 0.00 175.26 178.12 2wv6 s MET 37 N -1.26 4.81 -0.08 1.61 -2.45 0.22 -4.89 119.30 117.26 2wv6 s MET 37 Ca 0.30 1.45 0.01 0.00 -1.25 0.00 0.00 55.69 56.20 2wv6 s MET 37 Cb -0.18 -3.29 0.02 0.00 1.25 0.00 0.00 34.83 32.63 2wv6 s MET 37 CO 0.18 0.50 -0.10 0.08 1.05 0.00 0.00 175.02 176.73 2wv6 s VAL 38 N -1.08 1.06 -0.06 10.11 1.01 -1.26 -1.22 120.40 128.96 2wv6 s VAL 38 Ca 0.41 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.02 2wv6 s VAL 38 Cb -0.25 -1.01 0.01 0.00 0.00 0.00 0.00 36.38 35.12 2wv6 s VAL 38 CO 0.31 0.35 -0.12 -0.63 0.00 0.00 0.00 175.10 175.02 2wv6 s ILE 39 N 1.03 1.08 0.13 2.22 1.01 0.06 -2.23 121.20 124.50 2wv6 s ILE 39 Ca -0.08 -0.46 0.11 0.00 0.00 0.00 0.00 60.65 60.22 2wv6 s ILE 39 Cb -0.15 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.30 2wv6 s ILE 39 CO -0.01 0.34 -0.26 0.27 0.00 0.00 0.00 174.94 175.28 2wv6 s ILE 40 N 0.59 2.31 0.05 2.92 -4.36 0.32 -0.73 121.20 122.30 2wv6 s ILE 40 Ca -0.12 -1.73 0.02 0.00 -0.26 0.00 0.00 60.65 58.56 2wv6 s ILE 40 Cb -0.15 -2.03 -0.03 0.00 1.25 0.00 0.00 42.46 41.51 2wv6 s ILE 40 CO 0.03 0.10 -0.08 -0.44 0.24 0.00 0.00 174.94 174.79 2wv6 s SER 41 N -2.05 0.93 0.38 4.36 0.01 -0.42 -0.59 113.70 116.32 2wv6 s SER 41 Ca 0.14 -0.64 0.08 0.00 1.31 0.00 0.00 55.95 56.84 2wv6 s SER 41 Cb -0.10 0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.13 2wv6 s SER 41 CO 0.06 -0.25 0.20 -0.36 0.41 0.00 0.00 173.24 173.30 2wv6 s PHE 42 N -1.83 2.66 0.44 2.43 0.40 -0.32 -0.64 117.98 121.13 2wv6 s PHE 42 Ca -0.05 -0.49 0.32 0.00 -0.60 0.00 0.00 56.93 56.10 2wv6 s PHE 42 Cb -0.07 -1.87 1.66 0.00 0.51 0.00 0.00 43.02 43.25 2wv6 s PHE 42 CO -0.01 0.20 2.14 0.00 0.70 0.00 0.00 175.22 178.25 2wv6 h ALA 43 N 1.41 1.23 -0.05 5.36 0.00 -1.89 0.01 119.26 125.33 2wv6 h ALA 43 Ca -0.43 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2wv6 h ALA 43 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2wv6 h ALA 43 CO 0.65 0.09 0.00 0.27 0.00 0.00 0.00 179.25 180.26 2wv6 n ASN 44 N -3.50 0.72 0.00 0.00 6.94 -1.26 -4.90 115.26 113.26 2wv6 n ASN 44 Ca -0.02 -1.42 0.00 0.00 -0.02 0.00 0.00 54.58 53.13 2wv6 n ASN 44 Cb 0.20 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.59 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 1.00 0.72 3.71 4.83 0.00 -0.01 -5.03 105.19 110.41 2wv6 n GLY 45 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.36 3.71 -0.05 4.61 0.00 -1.25 -4.76 121.76 121.65 2wv6 s ALA 46 Ca 0.00 1.27 0.03 0.00 0.00 0.00 0.00 51.96 53.25 2wv6 s ALA 46 Cb 0.00 -3.61 0.01 0.00 0.00 0.00 0.00 23.12 19.52 2wv6 s ALA 46 CO 0.00 -0.79 -0.12 0.99 0.00 0.00 0.00 175.76 175.84 2wv6 s THR 47 N 1.40 1.11 0.05 0.00 2.01 -1.26 -1.18 115.64 117.78 2wv6 s THR 47 Ca 0.69 -0.49 0.01 0.00 0.31 0.00 0.00 61.69 62.21 2wv6 s THR 47 Cb -0.41 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 2wv6 s THR 47 CO 0.31 0.34 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.17 2wv6 s PHE 48 N 0.46 0.61 0.17 4.92 0.08 0.24 -3.67 117.98 120.79 2wv6 s PHE 48 Ca -0.10 -0.73 0.04 0.00 0.12 0.00 0.00 56.93 56.26 2wv6 s PHE 48 Cb -0.14 -0.38 -0.05 0.00 -0.57 0.00 0.00 43.02 41.89 2wv6 s PHE 48 CO 0.03 -0.18 -0.06 1.14 -0.10 0.00 0.00 175.22 176.05 2wv6 s GLN 49 N -2.61 1.14 -0.33 0.44 -2.07 -0.40 -0.52 119.66 115.31 2wv6 s GLN 49 Ca -0.02 -1.52 -0.09 0.00 -1.82 0.00 0.00 55.36 51.91 2wv6 s GLN 49 Cb -0.02 -0.56 0.02 0.00 -1.09 0.00 0.00 33.01 31.36 2wv6 s GLN 49 CO -0.03 -0.01 0.15 0.08 -1.32 0.00 0.00 175.29 174.16 2wv6 s VAL 50 N -3.41 4.28 -0.08 3.63 1.01 -0.95 -1.37 120.40 123.52 2wv6 s VAL 50 Ca 0.21 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 2wv6 s VAL 50 Cb 0.04 -3.31 0.11 0.00 0.00 0.00 0.00 36.38 33.22 2wv6 s VAL 50 CO 0.03 -0.08 0.91 -0.70 0.00 0.00 0.00 175.10 175.26 2wv6 s GLU 51 N 1.53 0.74 -0.04 2.72 2.12 -1.26 -4.54 118.70 119.96 2wv6 s GLU 51 Ca 0.02 -0.02 -0.03 0.00 0.36 0.00 0.00 54.97 55.29 2wv6 s GLU 51 Cb -0.18 0.35 -0.01 0.00 0.26 0.00 0.00 34.13 34.54 2wv6 s GLU 51 CO 0.05 -0.27 -0.07 1.55 -0.54 0.00 0.00 175.26 175.98 2wv6 n VAL 52 N 0.36 0.43 -0.31 3.70 3.14 -1.26 -4.68 118.33 119.70 2wv6 n VAL 52 Ca -0.11 0.41 0.12 0.00 -2.96 0.00 0.00 64.34 61.80 2wv6 n VAL 52 Cb 0.59 -1.76 0.26 0.00 -1.06 0.00 0.00 33.84 31.87 2wv6 n VAL 52 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 2wv6 h PRO 64 N -0.30 0.09 -4.87 1.45 0.11 -2.02 -3.52 132.00 122.94 2wv6 h PRO 64 Ca 0.00 -0.01 -0.39 0.00 0.11 0.00 0.00 66.00 65.72 2wv6 h PRO 64 Cb 0.19 -0.02 0.09 0.00 0.11 0.00 0.00 31.00 31.37 2wv6 h PRO 64 CO 0.00 0.06 -0.61 1.28 -0.21 0.00 0.00 178.00 178.52 2wv6 n LEU 65 N -5.37 -2.96 0.14 2.35 4.77 -1.26 -4.92 117.00 109.75 2wv6 n LEU 65 Ca 0.20 -0.38 -0.01 0.00 -0.03 0.00 0.00 56.01 55.79 2wv6 n LEU 65 Cb 0.67 -2.90 0.19 0.00 -2.33 0.00 0.00 43.42 39.05 2wv6 n LEU 65 CO 0.00 0.40 0.52 -0.33 -1.33 0.00 0.00 177.39 176.66 2wv6 h GLU 66 N -1.89 0.02 -0.33 3.23 5.08 -2.01 -2.68 114.58 115.99 2wv6 h GLU 66 Ca -0.52 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 57.79 2wv6 h GLU 66 Cb 1.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 2wv6 h GLU 66 CO 0.54 0.60 0.07 -0.09 -1.00 0.00 0.00 179.01 179.13 2wv6 h ARG 67 N 0.01 0.55 -0.59 2.33 2.43 -1.99 0.14 114.38 117.26 2wv6 h ARG 67 Ca -0.01 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 2wv6 h ARG 67 Cb 1.04 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.50 2wv6 h ARG 67 CO 0.08 0.62 0.38 1.98 -1.51 0.00 0.00 179.97 181.51 2wv6 h MET 68 N 0.38 0.79 -0.86 0.20 4.05 -1.95 -0.16 114.93 117.38 2wv6 h MET 68 Ca 0.10 -0.06 0.05 0.00 -0.28 0.00 0.00 59.70 59.51 2wv6 h MET 68 Cb 0.33 -0.17 -0.06 0.00 -0.80 0.00 0.00 31.60 30.90 2wv6 h MET 68 CO 0.00 0.54 0.55 0.87 0.23 0.00 0.00 176.91 179.10 2wv6 h LYS 69 N 0.80 1.01 -0.42 0.39 1.57 -1.26 -1.20 116.57 117.46 2wv6 h LYS 69 Ca 0.21 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.86 2wv6 h LYS 69 Cb -0.06 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.01 2wv6 h LYS 69 CO -0.04 0.67 -0.01 -0.44 -0.57 0.00 0.00 179.45 179.05 2wv6 h ASP 70 N 1.04 0.73 -0.57 0.86 3.32 -0.38 -2.15 116.42 119.27 2wv6 h ASP 70 Ca 0.36 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 2wv6 h ASP 70 Cb 0.07 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 2wv6 h ASP 70 CO -0.14 0.87 0.32 0.74 -1.72 0.00 0.00 179.24 179.31 2wv6 h THR 71 N 0.57 1.18 -0.50 0.35 2.02 -0.62 -1.55 112.91 114.36 2wv6 h THR 71 Ca 0.12 -0.44 -0.12 0.00 0.77 0.00 0.00 66.41 66.73 2wv6 h THR 71 Cb 0.50 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 2wv6 h THR 71 CO 0.02 0.19 -0.16 -0.07 0.37 0.00 0.00 175.52 175.87 2wv6 h LEU 72 N 0.77 1.00 -0.41 2.58 3.38 -1.12 -1.13 115.31 120.38 2wv6 h LEU 72 Ca 0.20 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 2wv6 h LEU 72 Cb 0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2wv6 h LEU 72 CO -0.03 1.14 0.10 -0.09 0.09 0.00 0.00 178.44 179.65 2wv6 h ARG 73 N 0.87 0.66 -0.65 1.13 2.43 -1.29 -0.58 114.38 116.96 2wv6 h ARG 73 Ca 0.12 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 2wv6 h ARG 73 Cb 0.73 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.17 2wv6 h ARG 73 CO 0.06 0.68 0.29 0.00 -1.51 0.00 0.00 179.97 179.49 2wv6 h ALA 74 N 0.95 0.84 -0.31 2.80 0.00 -1.13 -0.77 119.26 121.64 2wv6 h ALA 74 Ca 0.13 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.93 2wv6 h ALA 74 Cb 0.32 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 2wv6 h ALA 74 CO 0.00 0.43 0.02 0.00 0.00 0.00 0.00 179.25 179.70 2wv6 h ALA 75 N 1.13 0.29 0.17 0.00 0.00 -1.01 -0.66 119.26 119.18 2wv6 h ALA 75 Ca 0.22 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2wv6 h ALA 75 Cb 0.16 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2wv6 h ALA 75 CO -0.02 -0.39 -0.17 -0.92 0.00 0.00 0.00 179.25 177.74 2wv6 h TYR 76 N 0.11 -0.45 -0.86 0.00 3.20 -0.58 -0.32 116.97 118.06 2wv6 h TYR 76 Ca 0.15 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 2wv6 h TYR 76 Cb 0.19 0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.59 2wv6 h TYR 76 CO -0.21 -0.26 0.54 0.74 -1.64 0.00 0.00 178.16 177.33 2wv6 h PHE 77 N -0.37 1.12 0.00 -3.82 0.04 -0.92 -2.94 116.94 110.05 2wv6 h PHE 77 Ca 0.00 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.78 2wv6 h PHE 77 Cb 0.35 -0.37 0.00 0.00 2.20 0.00 0.00 35.95 38.13 2wv6 h PHE 77 CO -0.14 0.73 -0.56 0.25 -0.60 0.00 0.00 178.31 177.98 2wv6 n THR 78 N -4.38 0.01 -1.85 -1.55 -2.24 -0.28 -4.96 114.28 99.03 2wv6 n THR 78 Ca 0.10 -0.01 -0.13 0.00 -2.27 0.00 0.00 64.05 61.74 2wv6 n THR 78 Cb 0.05 0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.57 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 1.50 0.55 3.80 3.38 0.00 -0.15 -5.00 105.19 109.27 2wv6 n GLY 79 Ca 0.05 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.58 4.36 0.26 -0.61 -4.36 -1.11 -4.83 121.20 112.34 2wv6 s ILE 80 Ca 0.00 1.57 -0.29 0.00 -0.26 0.00 0.00 60.65 61.67 2wv6 s ILE 80 Cb 0.00 -3.87 -0.09 0.00 1.25 0.00 0.00 42.46 39.75 2wv6 s ILE 80 CO 0.00 0.04 1.18 -0.54 0.24 0.00 0.00 174.94 175.86 2wv6 s LYS 81 N -2.32 4.53 -0.24 0.37 1.02 -1.26 -4.54 119.74 117.29 2wv6 s LYS 81 Ca 0.51 1.92 -0.16 0.00 0.02 0.00 0.00 55.97 58.26 2wv6 s LYS 81 Cb -0.16 -3.18 -0.04 0.00 -0.52 0.00 0.00 37.83 33.94 2wv6 s LYS 81 CO 0.21 0.03 0.42 0.08 -0.92 0.00 0.00 175.35 175.16 2wv6 s VAL 82 N -0.81 5.16 -0.12 3.17 1.01 -0.53 -4.05 120.40 124.23 2wv6 s VAL 82 Ca 0.48 0.70 -0.11 0.00 0.00 0.00 0.00 61.98 63.05 2wv6 s VAL 82 Cb -0.34 -3.74 -0.10 0.00 0.00 0.00 0.00 36.38 32.20 2wv6 s VAL 82 CO 0.42 0.17 0.26 -1.28 0.00 0.00 0.00 175.10 174.68 2wv6 h SER 83 N 7.83 0.00 -5.02 3.32 0.87 -1.24 -0.59 113.55 118.72 2wv6 h SER 83 Ca -0.33 -0.36 -0.15 0.00 -1.23 0.00 0.00 61.79 59.72 2wv6 h SER 83 Cb 1.16 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 62.92 2wv6 h SER 83 CO 0.69 0.72 -0.62 -0.54 -0.53 0.00 0.00 176.83 176.55 2wv6 s LYS 84 N -1.85 0.43 -0.04 2.24 1.02 -1.06 -0.89 119.74 119.60 2wv6 s LYS 84 Ca -0.08 -0.64 0.05 0.00 0.02 0.00 0.00 55.97 55.32 2wv6 s LYS 84 Cb -0.01 0.16 -0.01 0.00 -0.52 0.00 0.00 37.83 37.46 2wv6 s LYS 84 CO 0.27 -0.09 -0.20 -0.51 -0.92 0.00 0.00 175.35 173.90 2wv6 s LEU 85 N -1.69 1.99 -0.29 3.17 1.43 -0.44 -1.03 118.68 121.82 2wv6 s LEU 85 Ca -0.12 -0.40 -0.14 0.00 -1.03 0.00 0.00 54.13 52.45 2wv6 s LEU 85 Cb -0.06 -1.10 -0.04 0.00 0.03 0.00 0.00 46.19 45.02 2wv6 s LEU 85 CO -0.02 0.21 0.31 0.00 0.23 0.00 0.00 176.35 177.08 2wv6 s VAL 87 N 1.95 1.11 -0.62 0.00 -7.23 -0.04 -0.35 120.40 115.23 2wv6 s VAL 87 Ca 0.12 -1.21 -0.28 0.00 -1.81 0.00 0.00 61.98 58.80 2wv6 s VAL 87 Cb -0.16 -1.05 0.02 0.00 0.56 0.00 0.00 36.38 35.75 2wv6 s VAL 87 CO 0.11 -0.16 1.35 0.26 -0.31 0.00 0.00 175.10 176.36 2wv6 s TRP 88 N -1.14 2.32 -0.99 2.82 0.51 -0.22 -0.87 118.94 121.37 2wv6 s TRP 88 Ca -0.01 0.34 0.11 0.00 -2.12 0.00 0.00 56.10 54.41 2wv6 s TRP 88 Cb -0.09 -4.47 0.49 0.00 -0.81 0.00 0.00 33.47 28.58 2wv6 s TRP 88 CO 0.02 -1.94 1.31 0.27 -0.51 0.00 0.00 176.95 176.10 2wv6 n ASN 89 N 9.46 3.53 -0.04 2.95 0.23 -1.24 -3.05 115.26 127.09 2wv6 n ASN 89 Ca 0.09 -2.40 -0.02 0.00 -0.53 0.00 0.00 54.58 51.72 2wv6 n ASN 89 Cb 0.49 -0.52 -0.14 0.00 -2.08 0.00 0.00 39.78 37.53 2wv6 n ASN 89 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2wv6 n ASN 90 N 0.55 0.31 -4.78 0.53 3.02 -1.26 -4.95 115.26 108.67 2wv6 n ASN 90 Ca 0.17 0.14 -0.32 0.00 -0.03 0.00 0.00 54.58 54.54 2wv6 n ASN 90 Cb 0.71 0.90 0.06 0.00 -0.61 0.00 0.00 39.78 40.84 2wv6 n ASN 90 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2wv6 s LYS 91 N -2.85 2.68 -0.12 3.52 -0.14 -1.19 -5.02 119.74 116.62 2wv6 s LYS 91 Ca -0.07 1.19 -0.05 0.00 -1.36 0.00 0.00 55.97 55.67 2wv6 s LYS 91 Cb 0.09 -1.95 0.05 0.00 -1.68 0.00 0.00 37.83 34.34 2wv6 s LYS 91 CO 0.84 -1.32 0.27 -0.08 -0.76 0.00 0.00 175.35 174.30 2wv6 s THR 92 N -2.73 -0.20 0.83 2.17 -1.32 -1.26 -2.68 115.64 110.45 2wv6 s THR 92 Ca 0.62 0.20 -0.14 0.00 -1.21 0.00 0.00 61.69 61.16 2wv6 s THR 92 Cb -0.17 -0.42 0.04 0.00 -1.51 0.00 0.00 72.50 70.43 2wv6 s THR 92 CO 0.49 0.08 0.76 -0.81 -2.21 0.00 0.00 174.62 172.93 2wv6 n PRO 93 N 4.69 0.04 -1.73 7.08 -0.04 -1.26 -5.06 135.00 138.72 2wv6 n PRO 93 Ca -0.17 0.07 -0.41 0.00 -0.04 0.00 0.00 63.50 62.95 2wv6 n PRO 93 Cb 0.52 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 2wv6 n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2wv6 n ASN 94 N -1.82 3.17 -4.83 3.54 5.03 -1.09 -4.50 115.26 114.76 2wv6 n ASN 94 Ca 0.10 1.19 -0.37 0.00 0.87 0.00 0.00 54.58 56.38 2wv6 n ASN 94 Cb 0.51 -1.55 -0.06 0.00 -1.02 0.00 0.00 39.78 37.66 2wv6 n ASN 94 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 2wv6 s SER 95 N -0.29 6.92 -0.18 6.41 0.01 -1.17 -1.27 113.70 124.12 2wv6 s SER 95 Ca 0.56 1.13 -0.22 0.00 1.31 0.00 0.00 55.95 58.72 2wv6 s SER 95 Cb -0.51 -2.31 -0.02 0.00 0.21 0.00 0.00 66.02 63.39 2wv6 s SER 95 CO 0.62 0.21 0.70 -0.63 0.41 0.00 0.00 173.24 174.55 2wv6 s ILE 96 N -1.26 4.98 -0.14 1.44 1.01 -0.47 -1.06 121.20 125.71 2wv6 s ILE 96 Ca 0.32 1.34 0.06 0.00 0.00 0.00 0.00 60.65 62.37 2wv6 s ILE 96 Cb -0.17 -4.01 -0.23 0.00 0.01 0.00 0.00 42.46 38.05 2wv6 s ILE 96 CO 0.18 0.09 0.30 0.00 0.00 0.00 0.00 174.94 175.51 2wv6 n ALA 97 N 5.04 1.31 -3.22 9.38 0.00 0.52 -4.71 120.51 128.84 2wv6 n ALA 97 Ca 0.01 -0.89 -0.11 0.00 0.00 0.00 0.00 53.44 52.45 2wv6 n ALA 97 Cb 0.49 -0.53 -0.03 0.00 0.00 0.00 0.00 19.45 19.38 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 -2.55 -1.19 0.00 0.00 0.00 -1.00 -4.99 121.76 112.04 2wv6 s ALA 98 Ca -0.16 0.12 0.01 0.00 0.00 0.00 0.00 51.96 51.93 2wv6 s ALA 98 Cb 0.07 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.98 2wv6 s ALA 98 CO 0.77 -0.72 -0.04 -1.50 0.00 0.00 0.00 175.76 174.27 2wv6 s ILE 99 N -3.80 0.33 -0.11 0.00 2.07 -1.26 -1.05 121.20 117.38 2wv6 s ILE 99 Ca 0.03 -0.27 0.02 0.00 -1.41 0.00 0.00 60.65 59.03 2wv6 s ILE 99 Cb 0.00 -0.30 -0.01 0.00 0.13 0.00 0.00 42.46 42.29 2wv6 s ILE 99 CO -0.11 0.03 -0.19 -0.70 -1.91 0.00 0.00 174.94 172.06 2wv6 s GLU 100 N -0.26 3.19 -0.19 3.50 2.12 -0.20 -5.01 118.70 121.84 2wv6 s GLU 100 Ca 0.00 -0.80 -0.04 0.00 0.36 0.00 0.00 54.97 54.49 2wv6 s GLU 100 Cb -0.03 -2.44 -0.02 0.00 0.26 0.00 0.00 34.13 31.90 2wv6 s GLU 100 CO -0.00 0.20 -0.03 -0.51 -0.54 0.00 0.00 175.26 174.38 2wv6 s LEU 101 N 0.33 3.14 -0.24 2.70 1.43 -1.26 -0.93 118.68 123.85 2wv6 s LEU 101 Ca -0.15 -0.24 -0.22 0.00 -1.03 0.00 0.00 54.13 52.49 2wv6 s LEU 101 Cb -0.17 -1.78 0.06 0.00 0.03 0.00 0.00 46.19 44.33 2wv6 s LEU 101 CO 0.08 0.07 0.63 -0.55 0.23 0.00 0.00 176.35 176.81 2wv6 s SER 102 N 0.93 -0.66 0.00 2.29 0.15 -1.26 -4.91 113.70 110.24 2wv6 s SER 102 Ca 0.00 1.27 0.00 0.00 0.70 0.00 0.00 55.95 57.92 2wv6 s SER 102 Cb -0.14 1.28 0.00 0.00 -1.71 0.00 0.00 66.02 65.45 2wv6 s SER 102 CO 0.01 -0.22 0.00 -3.20 1.20 0.00 0.00 173.24 171.03