#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wv6 s PRO 2 N 0.00 3.13 -0.03 0.00 0.02 -1.26 -4.94 135.00 131.92 2wv6 s PRO 2 Ca 0.00 1.89 0.11 0.00 0.02 0.00 0.00 61.00 63.02 2wv6 s PRO 2 Cb 0.00 -2.06 0.32 0.00 0.02 0.00 0.00 34.50 32.78 2wv6 s PRO 2 CO 0.00 -1.10 1.27 0.00 -0.33 0.00 0.00 177.00 176.84 2wv6 n GLN 3 N -1.31 2.88 -3.91 5.54 -0.00 -1.26 -4.88 117.38 114.44 2wv6 n GLN 3 Ca 0.12 -2.14 -0.09 0.00 -0.00 0.00 0.00 57.00 54.90 2wv6 n GLN 3 Cb 0.49 -1.34 -0.08 0.00 -0.00 0.00 0.00 30.24 29.31 2wv6 n GLN 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2wv6 s ASN 4 N -1.14 0.19 0.30 2.61 2.20 -1.26 -5.07 114.94 112.78 2wv6 s ASN 4 Ca 0.25 -0.67 0.11 0.00 -0.94 0.00 0.00 52.86 51.60 2wv6 s ASN 4 Cb 0.15 0.29 0.47 0.00 -2.00 0.00 0.00 41.25 40.16 2wv6 s ASN 4 CO 0.14 -0.65 1.68 -0.29 -2.94 0.00 0.00 177.10 175.04 2wv6 h ILE 5 N 3.04 1.38 -0.20 0.54 2.10 -1.96 -2.38 117.51 120.02 2wv6 h ILE 5 Ca -0.34 -1.83 -0.00 0.00 1.08 0.00 0.00 64.86 63.77 2wv6 h ILE 5 Cb 1.18 1.98 -0.01 0.00 -1.09 0.00 0.00 36.82 38.89 2wv6 h ILE 5 CO 0.57 0.53 0.11 0.74 -1.08 0.00 0.00 178.15 179.02 2wv6 h THR 6 N 0.01 1.10 -0.18 2.19 2.02 -1.99 -0.40 112.91 115.65 2wv6 h THR 6 Ca -0.00 -0.27 -0.20 0.00 0.77 0.00 0.00 66.41 66.71 2wv6 h THR 6 Cb 0.95 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2wv6 h THR 6 CO 0.07 0.10 -0.69 -0.33 0.37 0.00 0.00 175.52 175.04 2wv6 h GLU 7 N 0.23 0.74 -0.49 6.66 5.08 -1.97 -2.73 114.58 122.10 2wv6 h GLU 7 Ca 0.07 -0.55 0.07 0.00 -1.00 0.00 0.00 59.36 57.95 2wv6 h GLU 7 Cb 0.05 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.34 2wv6 h GLU 7 CO -0.01 1.17 0.14 -0.07 -1.00 0.00 0.00 179.01 179.24 2wv6 h LEU 8 N 0.53 0.11 -0.76 1.33 3.38 -1.37 -2.23 115.31 116.28 2wv6 h LEU 8 Ca -0.03 0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.09 2wv6 h LEU 8 Cb 1.30 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 42.06 2wv6 h LEU 8 CO 0.14 0.09 0.44 0.00 0.09 0.00 0.00 178.44 179.20 2wv6 h SER 10 N 0.78 0.00 0.36 0.00 0.02 -1.10 -1.55 113.55 112.07 2wv6 h SER 10 Ca 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 2wv6 h SER 10 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2wv6 h SER 10 CO -0.21 0.00 -0.21 -0.62 -1.14 0.00 0.00 176.83 174.65 2wv6 n GLU 11 N -2.77 0.63 -3.43 3.45 1.02 -0.43 -4.84 120.64 114.28 2wv6 n GLU 11 Ca -0.02 -0.30 -0.22 0.00 -0.02 0.00 0.00 57.16 56.60 2wv6 n GLU 11 Cb 0.07 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 29.99 2wv6 n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2wv6 s TYR 12 N -2.58 3.34 -0.07 -0.32 1.51 -0.58 -5.11 117.35 113.54 2wv6 s TYR 12 Ca 0.24 0.12 -0.17 0.00 -1.01 0.00 0.00 57.07 56.26 2wv6 s TYR 12 Cb 0.19 -1.95 -0.05 0.00 -0.11 0.00 0.00 41.96 40.05 2wv6 s TYR 12 CO 0.52 0.04 0.44 -1.01 -1.11 0.00 0.00 175.55 174.44 2wv6 s HIS 13 N -2.27 3.60 -1.02 2.71 3.76 -1.26 -4.49 115.29 116.31 2wv6 s HIS 13 Ca 0.42 0.92 -0.05 0.00 -0.15 0.00 0.00 55.06 56.19 2wv6 s HIS 13 Cb -0.10 -2.45 0.01 0.00 1.11 0.00 0.00 32.58 31.15 2wv6 s HIS 13 CO 0.34 0.35 0.88 -1.71 -0.85 0.00 0.00 174.74 173.75 2wv6 n ASN 14 N 2.95 -4.58 -4.61 1.40 4.05 -1.26 -4.93 115.26 108.29 2wv6 n ASN 14 Ca -0.10 -0.43 -0.25 0.00 0.45 0.00 0.00 54.58 54.25 2wv6 n ASN 14 Cb 0.52 -4.02 -0.09 0.00 1.23 0.00 0.00 39.78 37.42 2wv6 n ASN 14 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 2wv6 s THR 15 N -3.25 2.58 0.14 -0.44 -4.23 -1.26 -1.57 115.64 107.60 2wv6 s THR 15 Ca 0.34 -2.04 -0.12 0.00 -1.18 0.00 0.00 61.69 58.69 2wv6 s THR 15 Cb -0.15 -2.74 0.01 0.00 1.34 0.00 0.00 72.50 70.96 2wv6 s THR 15 CO 0.56 -0.22 0.33 0.00 -0.54 0.00 0.00 174.62 174.75 2wv6 s GLN 16 N -3.68 1.08 0.03 3.99 -2.07 0.60 -4.93 119.66 114.68 2wv6 s GLN 16 Ca 0.34 -0.94 -0.20 0.00 -1.82 0.00 0.00 55.36 52.74 2wv6 s GLN 16 Cb -0.00 0.41 -0.06 0.00 -1.09 0.00 0.00 33.01 32.27 2wv6 s GLN 16 CO 0.19 -0.41 0.57 0.42 -1.32 0.00 0.00 175.29 174.74 2wv6 s ILE 17 N -3.88 4.84 -0.15 3.63 -1.09 -1.26 -1.18 121.20 122.11 2wv6 s ILE 17 Ca 0.09 1.20 0.01 0.00 -2.23 0.00 0.00 60.65 59.72 2wv6 s ILE 17 Cb 0.03 -3.90 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 2wv6 s ILE 17 CO -0.07 0.49 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.65 2wv6 s TYR 18 N -0.67 2.74 -0.22 3.97 1.51 0.40 -4.99 117.35 120.09 2wv6 s TYR 18 Ca 0.29 -1.17 -0.15 0.00 -1.01 0.00 0.00 57.07 55.04 2wv6 s TYR 18 Cb -0.19 -1.86 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 2wv6 s TYR 18 CO 0.18 -0.53 0.35 -2.00 -1.11 0.00 0.00 175.55 172.44 2wv6 s GLU 19 N 0.83 4.13 -0.00 -0.62 2.12 -1.26 -1.19 118.70 122.70 2wv6 s GLU 19 Ca -0.06 0.09 -0.03 0.00 0.36 0.00 0.00 54.97 55.34 2wv6 s GLU 19 Cb -0.15 -3.56 -0.02 0.00 0.26 0.00 0.00 34.13 30.66 2wv6 s GLU 19 CO -0.01 -0.06 -0.07 1.28 -0.54 0.00 0.00 175.26 175.86 2wv6 n LEU 20 N 4.57 0.84 -3.96 2.70 4.77 0.47 -5.01 117.00 121.38 2wv6 n LEU 20 Ca -0.09 0.12 -0.28 0.00 -0.03 0.00 0.00 56.01 55.73 2wv6 n LEU 20 Cb 0.51 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 41.30 2wv6 n LEU 20 CO 0.39 -0.28 -0.11 0.59 -1.33 0.00 0.00 177.39 176.64 2wv6 n ASN 21 N -3.47 -1.78 -3.86 -1.43 3.02 0.36 -4.97 115.26 103.14 2wv6 n ASN 21 Ca -0.07 -0.94 -0.09 0.00 -0.03 0.00 0.00 54.58 53.45 2wv6 n ASN 21 Cb 0.33 -3.29 -0.05 0.00 -0.61 0.00 0.00 39.78 36.16 2wv6 n ASN 21 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 2wv6 s LYS 22 N -6.55 1.41 0.41 3.52 -2.85 -0.82 -4.89 119.74 109.97 2wv6 s LYS 22 Ca 0.26 -1.03 -0.14 0.00 -1.00 0.00 0.00 55.97 54.05 2wv6 s LYS 22 Cb -0.14 0.49 -0.08 0.00 -2.06 0.00 0.00 37.83 36.04 2wv6 s LYS 22 CO 0.87 -0.58 0.83 -1.83 0.10 0.00 0.00 175.35 174.74 2wv6 s GLU 23 N -3.93 3.93 0.10 1.78 -1.05 -1.26 -1.35 118.70 116.92 2wv6 s GLU 23 Ca 0.14 0.70 -0.31 0.00 -0.15 0.00 0.00 54.97 55.35 2wv6 s GLU 23 Cb -0.00 -2.32 -0.08 0.00 -0.44 0.00 0.00 34.13 31.28 2wv6 s GLU 23 CO 0.01 -0.03 1.43 0.42 0.95 0.00 0.00 175.26 178.05 2wv6 s ILE 24 N -2.30 3.27 -0.07 1.83 1.01 -1.26 -4.67 121.20 119.01 2wv6 s ILE 24 Ca 0.55 0.87 -0.13 0.00 0.00 0.00 0.00 60.65 61.93 2wv6 s ILE 24 Cb -0.10 -3.56 -0.29 0.00 0.01 0.00 0.00 42.46 38.52 2wv6 s ILE 24 CO 0.25 0.05 0.63 0.50 0.00 0.00 0.00 174.94 176.38 2wv6 h LYS 25 N 7.09 0.34 -4.60 2.79 1.63 -1.59 -3.47 116.57 118.76 2wv6 h LYS 25 Ca -0.42 -0.58 -0.36 0.00 -0.85 0.00 0.00 60.65 58.44 2wv6 h LYS 25 Cb 1.20 0.21 -0.28 0.00 -0.60 0.00 0.00 32.23 32.77 2wv6 h LYS 25 CO 0.88 1.28 -0.77 0.99 -3.45 0.00 0.00 179.45 178.38 2wv6 s THR 26 N -2.54 0.62 -0.09 1.00 2.01 -1.05 -5.01 115.64 110.58 2wv6 s THR 26 Ca -0.17 -0.41 0.02 0.00 0.31 0.00 0.00 61.69 61.44 2wv6 s THR 26 Cb 0.05 -0.53 0.01 0.00 0.01 0.00 0.00 72.50 72.04 2wv6 s THR 26 CO 0.82 0.12 -0.13 -0.47 -0.69 0.00 0.00 174.62 174.27 2wv6 s TYR 27 N -0.29 1.70 -0.06 4.92 5.04 -1.26 -1.62 117.35 125.79 2wv6 s TYR 27 Ca 0.02 -0.72 0.03 0.00 -2.44 0.00 0.00 57.07 53.96 2wv6 s TYR 27 Cb -0.04 -1.25 0.01 0.00 0.35 0.00 0.00 41.96 41.03 2wv6 s TYR 27 CO -0.00 -0.38 -0.15 0.99 -1.34 0.00 0.00 175.55 174.67 2wv6 s THR 28 N 0.86 1.28 -0.02 4.34 2.01 -0.09 -5.02 115.64 119.01 2wv6 s THR 28 Ca -0.10 -0.59 0.03 0.00 0.31 0.00 0.00 61.69 61.33 2wv6 s THR 28 Cb -0.15 -1.13 -0.00 0.00 0.01 0.00 0.00 72.50 71.22 2wv6 s THR 28 CO 0.01 0.38 -0.09 -1.83 -0.69 0.00 0.00 174.62 172.40 2wv6 s GLU 29 N 0.37 0.82 0.03 4.92 -1.05 -1.26 -1.11 118.70 121.43 2wv6 s GLU 29 Ca -0.10 -0.31 0.02 0.00 -0.15 0.00 0.00 54.97 54.43 2wv6 s GLU 29 Cb -0.14 -0.78 -0.02 0.00 -0.44 0.00 0.00 34.13 32.75 2wv6 s GLU 29 CO 0.03 0.15 -0.07 -1.54 0.95 0.00 0.00 175.26 174.79 2wv6 s SER 30 N -0.02 0.77 0.07 0.83 1.04 -0.45 -4.97 113.70 110.97 2wv6 s SER 30 Ca 0.00 -0.49 -0.31 0.00 0.48 0.00 0.00 55.95 55.63 2wv6 s SER 30 Cb -0.06 0.03 -0.06 0.00 0.10 0.00 0.00 66.02 66.03 2wv6 s SER 30 CO -0.00 -0.18 1.31 -0.76 0.98 0.00 0.00 173.24 174.59 2wv6 s LEU 31 N -1.41 4.36 -0.34 2.42 1.43 -1.26 -0.16 118.68 123.71 2wv6 s LEU 31 Ca -0.09 2.15 0.15 0.00 -1.03 0.00 0.00 54.13 55.31 2wv6 s LEU 31 Cb -0.09 -3.58 0.42 0.00 0.03 0.00 0.00 46.19 42.97 2wv6 s LEU 31 CO 0.00 -0.59 0.89 0.00 0.23 0.00 0.00 176.35 176.88 2wv6 n ALA 32 N 4.21 2.77 -0.48 4.21 0.00 -0.09 -4.85 120.51 126.28 2wv6 n ALA 32 Ca 0.11 -3.14 0.00 0.00 0.00 0.00 0.00 53.44 50.41 2wv6 n ALA 32 Cb 0.44 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 0.05 1.97 0.09 0.00 0.00 -1.26 -3.29 105.19 102.75 2wv6 n GLY 33 Ca 0.14 -0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.27 2wv6 n GLY 33 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2wv6 n TYR 34 N 3.45 0.60 -4.12 1.61 4.11 -1.26 -4.78 117.16 116.77 2wv6 n TYR 34 Ca 0.00 0.21 -0.09 0.00 -0.00 0.00 0.00 57.90 58.02 2wv6 n TYR 34 Cb 0.00 -0.85 -0.10 0.00 -0.00 0.00 0.00 39.34 38.39 2wv6 n TYR 34 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.86 175.88 2wv6 s ARG 35 N -3.18 0.69 0.02 -3.48 1.70 -1.21 -5.15 118.95 108.36 2wv6 s ARG 35 Ca 0.07 -1.19 -0.16 0.00 -0.47 0.00 0.00 55.73 53.98 2wv6 s ARG 35 Cb 0.11 -0.05 -0.06 0.00 -0.57 0.00 0.00 34.95 34.38 2wv6 s ARG 35 CO 0.43 -0.05 0.45 -1.21 -1.08 0.00 0.00 175.30 173.84 2wv6 s GLU 36 N -3.50 3.99 0.15 3.89 2.02 -1.26 -0.91 118.70 123.07 2wv6 s GLU 36 Ca 0.06 0.49 -0.22 0.00 0.02 0.00 0.00 54.97 55.32 2wv6 s GLU 36 Cb 0.04 -3.22 -0.08 0.00 0.10 0.00 0.00 34.13 30.97 2wv6 s GLU 36 CO -0.06 0.68 0.70 1.41 0.02 0.00 0.00 175.26 178.01 2wv6 s MET 37 N -1.11 4.39 -0.07 1.61 -2.45 0.77 -4.90 119.30 117.54 2wv6 s MET 37 Ca 0.25 0.97 -0.01 0.00 -1.25 0.00 0.00 55.69 55.66 2wv6 s MET 37 Cb -0.17 -3.19 0.03 0.00 1.25 0.00 0.00 34.83 32.75 2wv6 s MET 37 CO 0.15 0.56 -0.02 0.08 1.05 0.00 0.00 175.02 176.84 2wv6 s VAL 38 N -1.20 0.50 -0.06 10.11 1.01 -1.26 -1.34 120.40 128.15 2wv6 s VAL 38 Ca 0.35 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.37 2wv6 s VAL 38 Cb -0.21 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.57 2wv6 s VAL 38 CO 0.23 0.26 -0.18 -0.63 0.00 0.00 0.00 175.10 174.79 2wv6 s ILE 39 N 1.66 1.54 0.13 2.22 1.01 -0.26 -1.71 121.20 125.78 2wv6 s ILE 39 Ca 0.01 -0.75 0.10 0.00 0.00 0.00 0.00 60.65 60.01 2wv6 s ILE 39 Cb -0.13 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 2wv6 s ILE 39 CO -0.04 0.44 -0.25 0.27 0.00 0.00 0.00 174.94 175.36 2wv6 s ILE 40 N 0.23 2.11 0.04 2.92 -4.36 0.23 -0.91 121.20 121.47 2wv6 s ILE 40 Ca -0.09 -1.73 -0.01 0.00 -0.26 0.00 0.00 60.65 58.56 2wv6 s ILE 40 Cb -0.14 -1.89 -0.03 0.00 1.25 0.00 0.00 42.46 41.64 2wv6 s ILE 40 CO 0.04 0.02 -0.03 -0.94 0.24 0.00 0.00 174.94 174.27 2wv6 s SER 41 N -2.09 0.47 0.39 4.36 1.04 -0.64 -0.73 113.70 116.51 2wv6 s SER 41 Ca 0.13 -0.86 0.08 0.00 0.48 0.00 0.00 55.95 55.77 2wv6 s SER 41 Cb -0.10 0.16 -0.05 0.00 0.10 0.00 0.00 66.02 66.14 2wv6 s SER 41 CO 0.06 -0.51 0.18 -0.36 0.98 0.00 0.00 173.24 173.60 2wv6 s PHE 42 N -3.22 2.64 0.57 5.02 0.40 0.37 -1.47 117.98 122.29 2wv6 s PHE 42 Ca 0.01 -0.53 0.28 0.00 -0.60 0.00 0.00 56.93 56.09 2wv6 s PHE 42 Cb 0.03 -1.89 1.53 0.00 0.51 0.00 0.00 43.02 43.20 2wv6 s PHE 42 CO -0.07 0.20 2.02 0.00 0.70 0.00 0.00 175.22 178.07 2wv6 h ALA 43 N 1.43 2.08 -0.18 5.36 0.00 -1.89 -0.09 119.26 125.98 2wv6 h ALA 43 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2wv6 h ALA 43 Cb 1.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2wv6 h ALA 43 CO 0.67 -0.49 0.00 0.27 0.00 0.00 0.00 179.25 179.70 2wv6 n ASN 44 N -3.93 1.33 0.00 0.00 6.94 -1.26 -4.92 115.26 113.42 2wv6 n ASN 44 Ca 0.05 -1.78 0.00 0.00 -0.02 0.00 0.00 54.58 52.84 2wv6 n ASN 44 Cb 0.48 -0.12 0.00 0.00 -2.36 0.00 0.00 39.78 37.79 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 1.36 3.70 4.83 0.00 -0.04 -5.03 105.19 111.01 2wv6 n GLY 45 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.54 3.78 -0.03 4.61 0.00 -1.26 -4.70 121.76 121.62 2wv6 s ALA 46 Ca 0.00 1.41 0.05 0.00 0.00 0.00 0.00 51.96 53.43 2wv6 s ALA 46 Cb 0.00 -3.72 -0.01 0.00 0.00 0.00 0.00 23.12 19.40 2wv6 s ALA 46 CO 0.00 -1.08 -0.19 0.95 0.00 0.00 0.00 175.76 175.44 2wv6 s THR 47 N 2.18 1.54 0.03 0.00 -4.23 -1.26 -0.47 115.64 113.43 2wv6 s THR 47 Ca 0.77 -0.81 -0.02 0.00 -1.18 0.00 0.00 61.69 60.45 2wv6 s THR 47 Cb -0.45 -1.30 -0.02 0.00 1.34 0.00 0.00 72.50 72.06 2wv6 s THR 47 CO 0.34 0.44 0.01 -0.36 -0.54 0.00 0.00 174.62 174.51 2wv6 s PHE 48 N -0.21 0.30 0.30 3.99 0.08 0.10 -3.61 117.98 118.93 2wv6 s PHE 48 Ca 0.01 -0.64 0.02 0.00 0.12 0.00 0.00 56.93 56.45 2wv6 s PHE 48 Cb -0.10 -0.22 -0.05 0.00 -0.57 0.00 0.00 43.02 42.08 2wv6 s PHE 48 CO 0.01 -0.29 0.09 1.14 -0.10 0.00 0.00 175.22 176.07 2wv6 s GLN 49 N -2.42 1.55 -0.38 0.44 -2.07 -0.55 -0.60 119.66 115.63 2wv6 s GLN 49 Ca -0.07 -1.86 -0.12 0.00 -1.82 0.00 0.00 55.36 51.49 2wv6 s GLN 49 Cb -0.03 -0.48 0.03 0.00 -1.09 0.00 0.00 33.01 31.44 2wv6 s GLN 49 CO -0.04 -0.29 0.23 0.08 -1.32 0.00 0.00 175.29 173.95 2wv6 s VAL 50 N -3.55 4.75 -0.29 3.63 1.01 -0.70 -1.26 120.40 124.00 2wv6 s VAL 50 Ca 0.36 -0.82 -0.25 0.00 0.00 0.00 0.00 61.98 61.28 2wv6 s VAL 50 Cb 0.08 -3.66 0.14 0.00 0.00 0.00 0.00 36.38 32.94 2wv6 s VAL 50 CO 0.15 -0.26 1.14 -0.70 0.00 0.00 0.00 175.10 175.43 2wv6 s GLU 51 N 1.59 0.37 -0.05 2.72 2.12 -1.26 -4.52 118.70 119.67 2wv6 s GLU 51 Ca 0.03 0.45 -0.30 0.00 0.36 0.00 0.00 54.97 55.51 2wv6 s GLU 51 Cb -0.19 0.18 -0.03 0.00 0.26 0.00 0.00 34.13 34.35 2wv6 s GLU 51 CO 0.08 -0.05 1.07 0.14 -0.54 0.00 0.00 175.26 175.96 2wv6 s VAL 52 N 0.22 4.58 -2.00 3.70 -7.23 -1.26 -4.60 120.40 113.81 2wv6 s VAL 52 Ca 0.04 1.86 0.05 0.00 -1.81 0.00 0.00 61.98 62.12 2wv6 s VAL 52 Cb -0.05 -4.19 0.14 0.00 0.56 0.00 0.00 36.38 32.83 2wv6 s VAL 52 CO -0.09 0.05 0.70 -0.81 -0.31 0.00 0.00 175.10 174.63 2wv6 n PRO 53 N 4.73 0.39 0.06 4.82 -0.04 -1.26 -5.14 135.00 138.56 2wv6 n PRO 53 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2wv6 n PRO 53 Cb 0.48 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 2wv6 n PRO 53 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2wv6 n LYS 62 N -0.69 0.00 -0.20 0.54 4.76 -1.26 -5.16 118.16 116.15 2wv6 n LYS 62 Ca 0.04 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.40 2wv6 n LYS 62 Cb 0.02 -0.35 0.02 0.00 -1.84 0.00 0.00 35.03 32.88 2wv6 n LYS 62 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 2wv6 h ARG 63 N 0.00 0.81 -0.27 1.97 9.65 -2.06 -1.89 114.38 122.59 2wv6 h ARG 63 Ca 0.00 -0.12 -0.05 0.00 -1.10 0.00 0.00 59.98 58.71 2wv6 h ARG 63 Cb 0.00 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.42 2wv6 h ARG 63 CO 0.00 0.67 -0.05 -1.35 2.80 0.00 0.00 179.97 182.04 2wv6 h PRO 64 N 0.75 0.42 -0.44 0.20 0.11 -2.06 -1.52 132.00 129.46 2wv6 h PRO 64 Ca 0.19 -0.09 -0.05 0.00 0.11 0.00 0.00 66.00 66.16 2wv6 h PRO 64 Cb 0.13 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 2wv6 h PRO 64 CO -0.02 0.49 0.09 -0.07 -0.21 0.00 0.00 178.00 178.28 2wv6 h LEU 65 N 0.40 0.68 -0.71 2.35 3.38 -1.89 -1.33 115.31 118.19 2wv6 h LEU 65 Ca 0.08 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 57.88 2wv6 h LEU 65 Cb 0.35 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 2wv6 h LEU 65 CO 0.01 0.75 0.40 -0.33 0.09 0.00 0.00 178.44 179.37 2wv6 h GLU 66 N 0.59 0.70 -0.36 1.13 4.39 -1.10 -1.82 114.58 118.10 2wv6 h GLU 66 Ca 0.14 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 2wv6 h GLU 66 Cb 0.35 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 2wv6 h GLU 66 CO 0.00 0.46 0.19 -0.09 -1.16 0.00 0.00 179.01 178.41 2wv6 h ARG 67 N 0.72 0.50 -0.64 2.33 2.43 -0.81 -1.32 114.38 117.59 2wv6 h ARG 67 Ca 0.33 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.46 2wv6 h ARG 67 Cb 0.23 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 2wv6 h ARG 67 CO -0.20 0.43 0.39 1.98 -1.51 0.00 0.00 179.97 181.06 2wv6 h MET 68 N 0.44 0.75 -0.69 0.20 4.05 -1.07 -0.43 114.93 118.18 2wv6 h MET 68 Ca 0.12 -0.04 0.03 0.00 -0.28 0.00 0.00 59.70 59.53 2wv6 h MET 68 Cb 0.08 -0.17 -0.04 0.00 -0.80 0.00 0.00 31.60 30.67 2wv6 h MET 68 CO -0.02 0.49 0.43 0.87 0.23 0.00 0.00 176.91 178.92 2wv6 h LYS 69 N 0.77 0.82 -0.45 0.39 1.57 -0.99 -1.27 116.57 117.41 2wv6 h LYS 69 Ca 0.26 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.90 2wv6 h LYS 69 Cb 0.03 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 2wv6 h LYS 69 CO -0.11 0.54 -0.07 -0.44 -0.57 0.00 0.00 179.45 178.81 2wv6 h ASP 70 N 0.85 0.76 -0.51 0.86 3.32 -0.71 -1.55 116.42 119.45 2wv6 h ASP 70 Ca 0.28 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 2wv6 h ASP 70 Cb 0.02 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 2wv6 h ASP 70 CO -0.11 0.87 0.22 0.74 -1.72 0.00 0.00 179.24 179.25 2wv6 h THR 71 N 0.71 1.20 -0.50 0.35 2.02 -0.55 -1.22 112.91 114.93 2wv6 h THR 71 Ca 0.13 -0.61 -0.07 0.00 0.77 0.00 0.00 66.41 66.63 2wv6 h THR 71 Cb 0.54 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 2wv6 h THR 71 CO 0.03 0.23 0.03 -0.07 0.37 0.00 0.00 175.52 176.11 2wv6 h LEU 72 N 0.68 0.83 -0.36 2.58 3.38 -1.13 -0.44 115.31 120.85 2wv6 h LEU 72 Ca 0.17 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2wv6 h LEU 72 Cb 0.16 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2wv6 h LEU 72 CO -0.02 0.92 0.23 -0.09 0.09 0.00 0.00 178.44 179.57 2wv6 h ARG 73 N 0.72 0.48 -0.55 1.13 2.43 -1.25 -0.76 114.38 116.57 2wv6 h ARG 73 Ca 0.14 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 2wv6 h ARG 73 Cb 0.47 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 2wv6 h ARG 73 CO 0.02 0.33 0.31 0.00 -1.51 0.00 0.00 179.97 179.13 2wv6 h ALA 74 N 1.12 0.70 -0.58 2.80 0.00 -1.11 -0.10 119.26 122.09 2wv6 h ALA 74 Ca 0.13 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2wv6 h ALA 74 Cb -0.03 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 2wv6 h ALA 74 CO -0.03 0.20 0.29 0.00 0.00 0.00 0.00 179.25 179.72 2wv6 h ALA 75 N 1.15 0.76 0.10 0.00 0.00 -0.85 -1.54 119.26 118.88 2wv6 h ALA 75 Ca 0.19 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2wv6 h ALA 75 Cb 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2wv6 h ALA 75 CO -0.03 -0.07 -0.05 -0.92 0.00 0.00 0.00 179.25 178.18 2wv6 h TYR 76 N 0.54 -0.13 -0.41 0.00 3.20 -0.69 -1.12 116.97 118.36 2wv6 h TYR 76 Ca 0.27 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 2wv6 h TYR 76 Cb 0.20 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 2wv6 h TYR 76 CO -0.11 -0.02 0.16 0.74 -1.64 0.00 0.00 178.16 177.29 2wv6 h PHE 77 N -0.20 0.57 0.00 -3.82 0.04 -0.68 -2.70 116.94 110.16 2wv6 h PHE 77 Ca -0.01 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.74 2wv6 h PHE 77 Cb 0.16 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.13 2wv6 h PHE 77 CO -0.05 0.45 -0.91 0.25 -0.60 0.00 0.00 178.31 177.45 2wv6 n THR 78 N -4.38 0.08 -1.94 -1.55 -2.24 -0.61 -4.96 114.28 98.68 2wv6 n THR 78 Ca 0.03 -0.13 -0.13 0.00 -2.27 0.00 0.00 64.05 61.55 2wv6 n THR 78 Cb 0.15 0.40 -0.02 0.00 -2.10 0.00 0.00 70.33 68.75 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 1.43 0.37 3.77 3.38 0.00 -0.46 -5.00 105.19 108.68 2wv6 n GLY 79 Ca 0.03 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 2wv6 n GLY 79 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2wv6 s ILE 80 N -2.59 3.42 0.08 -0.61 1.10 -0.99 -4.81 121.20 116.80 2wv6 s ILE 80 Ca 0.00 1.15 -0.30 0.00 -0.51 0.00 0.00 60.65 60.99 2wv6 s ILE 80 Cb 0.00 -3.62 -0.05 0.00 0.15 0.00 0.00 42.46 38.94 2wv6 s ILE 80 CO 0.00 0.07 1.01 -0.75 -2.11 0.00 0.00 174.94 173.16 2wv6 s LYS 81 N -2.36 4.61 -0.26 3.50 2.47 -1.26 -4.42 119.74 122.03 2wv6 s LYS 81 Ca 0.57 1.52 -0.22 0.00 -1.56 0.00 0.00 55.97 56.28 2wv6 s LYS 81 Cb -0.27 -3.38 -0.01 0.00 -1.46 0.00 0.00 37.83 32.70 2wv6 s LYS 81 CO 0.34 0.06 0.69 0.08 0.16 0.00 0.00 175.35 176.68 2wv6 s VAL 82 N 0.38 4.93 -0.03 4.02 1.01 -0.45 -3.97 120.40 126.29 2wv6 s VAL 82 Ca 0.50 1.24 -0.04 0.00 0.00 0.00 0.00 61.98 63.68 2wv6 s VAL 82 Cb -0.24 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 2wv6 s VAL 82 CO 0.30 -0.02 0.28 -1.28 0.00 0.00 0.00 175.10 174.38 2wv6 h SER 83 N 7.86 -0.12 -4.66 3.32 0.87 -1.29 0.12 113.55 119.65 2wv6 h SER 83 Ca -0.26 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.00 2wv6 h SER 83 Cb 1.11 0.03 -0.21 0.00 -0.44 0.00 0.00 62.40 62.90 2wv6 h SER 83 CO 0.81 0.10 -0.74 -0.54 -0.53 0.00 0.00 176.83 175.92 2wv6 s LYS 84 N -1.97 0.64 -0.03 2.24 1.02 -0.96 -0.40 119.74 120.29 2wv6 s LYS 84 Ca -0.02 -0.86 0.06 0.00 0.02 0.00 0.00 55.97 55.17 2wv6 s LYS 84 Cb 0.00 -0.45 -0.01 0.00 -0.52 0.00 0.00 37.83 36.85 2wv6 s LYS 84 CO 0.06 0.08 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.84 2wv6 s LEU 85 N -1.75 2.03 -0.27 3.17 1.43 -0.33 -0.85 118.68 122.11 2wv6 s LEU 85 Ca -0.06 -0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 52.48 2wv6 s LEU 85 Cb -0.09 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 2wv6 s LEU 85 CO 0.01 0.26 0.33 0.00 0.23 0.00 0.00 176.35 177.17 2wv6 s VAL 87 N 1.95 1.56 0.38 0.00 -7.23 -0.33 -0.19 120.40 116.54 2wv6 s VAL 87 Ca 0.13 -1.66 -0.22 0.00 -1.81 0.00 0.00 61.98 58.42 2wv6 s VAL 87 Cb -0.16 -1.56 -0.10 0.00 0.56 0.00 0.00 36.38 35.12 2wv6 s VAL 87 CO 0.10 -0.25 0.92 0.26 -0.31 0.00 0.00 175.10 175.83 2wv6 s TRP 88 N -1.68 3.45 -0.35 2.82 0.51 0.23 -0.29 118.94 123.62 2wv6 s TRP 88 Ca 0.08 1.63 0.04 0.00 -2.12 0.00 0.00 56.10 55.74 2wv6 s TRP 88 Cb -0.07 -2.84 0.51 0.00 -0.81 0.00 0.00 33.47 30.25 2wv6 s TRP 88 CO 0.04 0.02 1.61 0.09 -0.51 0.00 0.00 176.95 178.20 2wv6 n ASN 89 N -0.20 3.73 0.00 2.95 3.02 -0.61 -3.73 115.26 120.41 2wv6 n ASN 89 Ca 0.05 -3.06 0.00 0.00 -0.03 0.00 0.00 54.58 51.54 2wv6 n ASN 89 Cb 0.53 -0.72 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 2wv6 n ASN 89 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2wv6 n ASN 90 N -0.45 0.00 -4.93 6.41 6.94 -1.26 -4.94 115.26 117.02 2wv6 n ASN 90 Ca 0.39 0.04 -0.25 0.00 -0.02 0.00 0.00 54.58 54.73 2wv6 n ASN 90 Cb 1.27 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 38.67 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 -0.08 3.51 -0.03 -3.83 1.02 -1.26 -4.97 119.74 114.11 2wv6 s LYS 91 Ca 0.00 -0.31 -0.18 0.00 0.02 0.00 0.00 55.97 55.50 2wv6 s LYS 91 Cb 0.00 -2.72 -0.05 0.00 -0.52 0.00 0.00 37.83 34.54 2wv6 s LYS 91 CO 0.00 0.24 0.51 0.99 -0.92 0.00 0.00 175.35 176.16 2wv6 s THR 92 N -2.16 5.00 0.31 2.17 2.01 -1.26 -0.98 115.64 120.74 2wv6 s THR 92 Ca 0.40 1.05 -0.29 0.00 0.31 0.00 0.00 61.69 63.16 2wv6 s THR 92 Cb -0.10 -3.84 -0.10 0.00 0.01 0.00 0.00 72.50 68.47 2wv6 s THR 92 CO 0.33 0.45 1.21 -2.84 -0.69 0.00 0.00 174.62 173.08 2wv6 s PRO 93 N -0.30 4.47 0.40 4.92 0.02 -1.26 -5.09 135.00 138.15 2wv6 s PRO 93 Ca 0.27 2.03 -0.27 0.00 0.02 0.00 0.00 61.00 63.05 2wv6 s PRO 93 Cb -0.17 -3.11 -0.10 0.00 0.02 0.00 0.00 34.50 31.14 2wv6 s PRO 93 CO 0.14 -0.02 1.44 -0.80 -0.33 0.00 0.00 177.00 177.44 2wv6 s ASN 94 N -0.67 6.24 0.28 2.53 -0.87 -0.15 -4.40 114.94 117.90 2wv6 s ASN 94 Ca 0.47 2.96 -0.29 0.00 -1.57 0.00 0.00 52.86 54.43 2wv6 s ASN 94 Cb -0.36 -2.66 -0.09 0.00 -0.02 0.00 0.00 41.25 38.11 2wv6 s ASN 94 CO 0.47 -0.93 1.04 -0.44 -2.57 0.00 0.00 177.10 174.67 2wv6 s SER 95 N -0.31 7.34 -0.17 -1.22 0.01 -1.24 -1.48 113.70 116.62 2wv6 s SER 95 Ca 0.55 2.14 -0.19 0.00 1.31 0.00 0.00 55.95 59.76 2wv6 s SER 95 Cb -0.45 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.13 2wv6 s SER 95 CO 0.60 -0.08 0.54 -0.63 0.41 0.00 0.00 173.24 174.08 2wv6 s ILE 96 N -1.23 5.10 -0.18 1.44 1.01 -0.39 -0.60 121.20 126.35 2wv6 s ILE 96 Ca 0.45 1.03 0.13 0.00 0.00 0.00 0.00 60.65 62.25 2wv6 s ILE 96 Cb -0.29 -3.87 -0.23 0.00 0.01 0.00 0.00 42.46 38.08 2wv6 s ILE 96 CO 0.36 0.20 0.14 0.00 0.00 0.00 0.00 174.94 175.65 2wv6 n ALA 97 N 4.53 1.45 -3.33 9.38 0.00 0.73 -4.72 120.51 128.56 2wv6 n ALA 97 Ca -0.04 -1.15 -0.15 0.00 0.00 0.00 0.00 53.44 52.10 2wv6 n ALA 97 Cb 0.51 -0.32 -0.06 0.00 0.00 0.00 0.00 19.45 19.58 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 -2.52 -1.33 0.02 0.00 0.00 -0.97 -4.97 121.76 111.98 2wv6 s ALA 98 Ca -0.14 0.69 0.04 0.00 0.00 0.00 0.00 51.96 52.54 2wv6 s ALA 98 Cb 0.07 0.27 -0.02 0.00 0.00 0.00 0.00 23.12 23.45 2wv6 s ALA 98 CO 0.78 -0.45 -0.12 -1.50 0.00 0.00 0.00 175.76 174.47 2wv6 s ILE 99 N -2.09 0.96 -0.12 0.00 2.07 -1.26 -0.96 121.20 119.79 2wv6 s ILE 99 Ca -0.07 -0.74 0.03 0.00 -1.41 0.00 0.00 60.65 58.46 2wv6 s ILE 99 Cb -0.01 -0.84 0.00 0.00 0.13 0.00 0.00 42.46 41.74 2wv6 s ILE 99 CO 0.01 0.10 -0.22 -0.70 -1.91 0.00 0.00 174.94 172.23 2wv6 s GLU 100 N -0.72 3.06 -0.17 3.50 2.12 -0.03 -5.01 118.70 121.45 2wv6 s GLU 100 Ca 0.02 -0.85 -0.02 0.00 0.36 0.00 0.00 54.97 54.48 2wv6 s GLU 100 Cb -0.06 -2.40 -0.01 0.00 0.26 0.00 0.00 34.13 31.91 2wv6 s GLU 100 CO 0.00 0.08 -0.09 -0.51 -0.54 0.00 0.00 175.26 174.20 2wv6 s LEU 101 N 0.60 2.83 0.00 2.70 1.43 -1.26 -0.97 118.68 124.01 2wv6 s LEU 101 Ca -0.12 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 2wv6 s LEU 101 Cb -0.17 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.38 2wv6 s LEU 101 CO 0.03 0.10 0.00 -0.24 0.23 0.00 0.00 176.35 176.47