#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c46 s ASN -5 N 0.00 1.37 0.00 -1.84 3.84 -1.26 -4.97 114.94 112.08 2c46 s ASN -5 Ca 0.00 -1.45 0.30 0.00 0.21 0.00 0.00 52.86 51.91 2c46 s ASN -5 Cb 0.00 0.50 1.36 0.00 -0.55 0.00 0.00 41.25 42.56 2c46 s ASN -5 CO 0.00 -0.29 1.98 0.18 -2.79 0.00 0.00 177.10 176.18 2c46 n LEU -4 N 4.44 0.01 -0.34 3.21 4.77 -1.26 -3.49 117.00 124.35 2c46 n LEU -4 Ca 0.09 0.40 0.12 0.00 -0.03 0.00 0.00 56.01 56.58 2c46 n LEU -4 Cb 0.45 -0.40 0.33 0.00 -2.33 0.00 0.00 43.42 41.47 2c46 n LEU -4 CO 0.07 0.00 1.21 0.22 -1.33 0.00 0.00 177.39 177.56 2c46 h TYR -3 N 0.01 1.01 -0.51 -1.77 5.03 -1.70 -2.38 116.97 116.66 2c46 h TYR -3 Ca 0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 2c46 h TYR -3 Cb 0.40 -0.31 0.00 0.00 1.55 0.00 0.00 36.73 38.37 2c46 h TYR -3 CO 0.00 0.28 0.00 1.19 -1.32 0.00 0.00 178.16 178.31 2c46 n PHE -2 N -4.69 0.90 -5.11 -3.82 3.01 -1.23 -4.86 117.46 101.67 2c46 n PHE -2 Ca 0.21 -0.40 -0.30 0.00 1.01 0.00 0.00 57.45 57.98 2c46 n PHE -2 Cb 0.53 -0.09 -0.17 0.00 -0.01 0.00 0.00 39.48 39.74 2c46 n PHE -2 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 2c46 s GLN -1 N -1.51 2.47 1.66 -1.08 -0.21 -0.90 -5.20 119.66 114.90 2c46 s GLN -1 Ca 0.37 -0.79 0.00 0.00 0.02 0.00 0.00 55.36 54.95 2c46 s GLN -1 Cb 0.21 -2.01 0.00 0.00 1.00 0.00 0.00 33.01 32.21 2c46 s GLN -1 CO 0.22 0.26 0.00 0.43 -2.12 0.00 0.00 175.29 174.08 2c46 n SER 0 N 3.23 0.00 0.00 5.90 7.64 -1.26 -4.97 113.62 124.16 2c46 n SER 0 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2c46 n SER 0 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2c46 n SER 0 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2c46 n ASN 4 N -0.20 0.00 -4.88 6.43 4.13 -1.26 -5.18 115.26 114.31 2c46 n ASN 4 Ca 0.00 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 55.95 2c46 n ASN 4 Cb 0.00 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.20 2c46 n ASN 4 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2c46 s LYS 5 N -1.98 3.78 0.66 3.52 2.47 -1.26 -5.05 119.74 121.87 2c46 s LYS 5 Ca 0.00 0.32 -0.15 0.00 -1.56 0.00 0.00 55.97 54.58 2c46 s LYS 5 Cb 0.00 -2.54 -0.00 0.00 -1.46 0.00 0.00 37.83 33.83 2c46 s LYS 5 CO 0.00 0.16 1.11 0.96 0.16 0.00 0.00 175.35 177.74 2c46 s ILE 6 N -2.08 3.22 0.65 5.43 -4.36 -1.26 -4.97 121.20 117.83 2c46 s ILE 6 Ca 0.49 0.57 -0.17 0.00 -0.26 0.00 0.00 60.65 61.28 2c46 s ILE 6 Cb -0.11 -3.10 -0.00 0.00 1.25 0.00 0.00 42.46 40.50 2c46 s ILE 6 CO 0.26 -0.34 1.20 -2.16 0.24 0.00 0.00 174.94 174.14 2c46 s PRO 7 N -4.06 2.63 0.64 0.37 0.04 -1.26 -4.97 135.00 128.38 2c46 s PRO 7 Ca 0.67 1.77 -0.15 0.00 0.04 0.00 0.00 61.00 63.34 2c46 s PRO 7 Cb -0.21 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 2c46 s PRO 7 CO 0.41 -1.46 1.08 -1.25 0.04 0.00 0.00 177.00 175.82 2c46 s PRO 8 N -3.62 3.04 -1.95 0.56 0.04 -1.26 -3.52 135.00 128.28 2c46 s PRO 8 Ca 0.76 1.25 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2c46 s PRO 8 Cb -0.29 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.26 2c46 s PRO 8 CO 0.39 -1.04 0.00 0.54 0.04 0.00 0.00 177.00 176.92 2c46 n ARG 9 N -2.34 -1.58 -0.11 4.56 1.74 -1.26 -4.87 116.66 112.79 2c46 n ARG 9 Ca 0.09 1.10 -0.14 0.00 -0.77 0.00 0.00 57.85 58.13 2c46 n ARG 9 Cb 0.53 -5.65 -0.12 0.00 -1.02 0.00 0.00 32.46 26.19 2c46 n ARG 9 CO 0.00 0.00 0.00 1.87 -1.52 0.00 0.00 177.63 177.98 2c46 n TRP 10 N -3.39 0.00 -0.18 -1.55 -0.00 -1.23 -4.29 117.44 106.79 2c46 n TRP 10 Ca -0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.26 2c46 n TRP 10 Cb 0.69 -0.90 0.09 0.00 -0.00 0.00 0.00 31.31 31.18 2c46 n TRP 10 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 2c46 h LEU 11 N 0.00 -0.04 -2.86 5.87 3.38 -1.89 -1.89 115.31 117.88 2c46 h LEU 11 Ca -0.52 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2c46 h LEU 11 Cb 1.90 0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.80 2c46 h LEU 11 CO -0.05 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.07 2c46 n ASN 12 N -5.14 3.81 -4.74 -0.43 3.02 -1.26 -4.88 115.26 105.63 2c46 n ASN 12 Ca 0.07 -2.09 -0.41 0.00 -0.03 0.00 0.00 54.58 52.12 2c46 n ASN 12 Cb 0.29 -0.44 -0.03 0.00 -0.61 0.00 0.00 39.78 39.00 2c46 n ASN 12 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2c46 s PRO 14 N -0.07 3.90 0.13 0.00 0.04 -1.26 -4.94 135.00 132.80 2c46 s PRO 14 Ca 0.57 2.35 -0.16 0.00 0.04 0.00 0.00 61.00 63.81 2c46 s PRO 14 Cb -0.37 -2.77 -0.02 0.00 0.04 0.00 0.00 34.50 31.38 2c46 s PRO 14 CO 0.38 -0.62 1.64 0.00 0.04 0.00 0.00 177.00 178.44 2c46 h ARG 15 N 2.63 0.60 -2.40 4.56 3.08 -1.95 -3.40 114.38 117.51 2c46 h ARG 15 Ca -0.50 -0.14 -0.08 0.00 0.07 0.00 0.00 59.98 59.33 2c46 h ARG 15 Cb 1.25 -0.08 -0.20 0.00 0.08 0.00 0.00 29.97 31.02 2c46 h ARG 15 CO 0.62 0.62 -0.01 -0.98 -1.07 0.00 0.00 179.97 179.16 2c46 s ARG 16 N -5.37 0.85 0.78 0.04 1.70 -1.26 -2.27 118.95 113.42 2c46 s ARG 16 Ca -0.13 0.23 -0.06 0.00 -0.47 0.00 0.00 55.73 55.30 2c46 s ARG 16 Cb 0.10 0.40 0.13 0.00 -0.57 0.00 0.00 34.95 35.01 2c46 s ARG 16 CO 0.76 -0.23 1.08 0.20 -1.08 0.00 0.00 175.30 176.03 2c46 s GLY 17 N -0.92 1.76 0.58 3.88 0.00 -0.10 -5.00 107.32 107.53 2c46 s GLY 17 Ca -0.10 -1.45 -0.16 0.00 0.00 0.00 0.00 44.72 43.01 2c46 s GLY 17 CO 0.06 -0.87 1.06 1.20 0.00 0.00 0.00 173.10 174.56 2c46 s GLN 18 N -5.35 3.33 0.14 2.90 -1.52 -0.52 -4.62 119.66 114.02 2c46 s GLN 18 Ca 0.67 1.26 -0.34 0.00 -1.95 0.00 0.00 55.36 55.00 2c46 s GLN 18 Cb -0.06 -2.03 -0.13 0.00 -0.22 0.00 0.00 33.01 30.57 2c46 s GLN 18 CO 0.46 -0.81 1.63 -2.30 -0.25 0.00 0.00 175.29 174.03 2c46 n PRO 19 N -1.90 2.24 -3.06 2.91 -0.02 -1.26 -4.58 135.00 129.33 2c46 n PRO 19 Ca 0.09 0.81 -0.41 0.00 -2.02 0.00 0.00 63.50 61.97 2c46 n PRO 19 Cb 0.53 -2.60 -0.06 0.00 -0.02 0.00 0.00 33.50 31.35 2c46 n PRO 19 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2c46 s VAL 20 N 1.32 4.96 -1.14 -1.45 1.01 0.16 -4.18 120.40 121.08 2c46 s VAL 20 Ca 0.80 1.25 -0.06 0.00 0.00 0.00 0.00 61.98 63.97 2c46 s VAL 20 Cb -0.66 -3.98 0.05 0.00 0.00 0.00 0.00 36.38 31.79 2c46 s VAL 20 CO 0.39 0.03 0.33 0.00 0.00 0.00 0.00 175.10 175.84 2c46 n ALA 21 N 5.60 -0.98 -1.57 5.51 0.00 -1.26 -0.56 120.51 127.24 2c46 n ALA 21 Ca 0.01 0.08 -0.19 0.00 0.00 0.00 0.00 53.44 53.34 2c46 n ALA 21 Cb 0.49 -2.27 -0.08 0.00 0.00 0.00 0.00 19.45 17.58 2c46 n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c46 n GLY 22 N -1.03 1.72 0.57 0.00 0.00 -1.26 -4.77 105.19 100.43 2c46 n GLY 22 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2c46 n GLY 22 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2c46 n ARG 23 N -2.26 0.00 -5.11 1.61 0.00 0.28 -4.79 116.66 106.38 2c46 n ARG 23 Ca -0.19 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.35 2c46 n ARG 23 Cb 0.62 -0.65 -0.15 0.00 -0.00 0.00 0.00 32.46 32.28 2c46 n ARG 23 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2c46 s PHE 24 N -1.88 2.43 -0.31 2.89 0.08 -0.85 -0.35 117.98 119.99 2c46 s PHE 24 Ca 0.00 -0.36 0.01 0.00 0.12 0.00 0.00 56.93 56.70 2c46 s PHE 24 Cb 0.00 -1.51 0.07 0.00 -0.57 0.00 0.00 43.02 41.01 2c46 s PHE 24 CO 0.00 0.06 0.00 -1.17 -0.10 0.00 0.00 175.22 174.01 2c46 s LEU 25 N -0.80 4.11 0.23 -0.37 2.96 -0.26 0.39 118.68 124.93 2c46 s LEU 25 Ca 0.11 -1.60 -0.26 0.00 -0.22 0.00 0.00 54.13 52.16 2c46 s LEU 25 Cb -0.10 -1.66 -0.09 0.00 0.50 0.00 0.00 46.19 44.84 2c46 s LEU 25 CO 0.00 -0.30 0.85 -2.16 -1.32 0.00 0.00 176.35 173.43 2c46 s PRO 26 N 1.12 4.62 0.17 0.98 0.04 -1.26 -2.05 135.00 138.61 2c46 s PRO 26 Ca -0.01 1.25 -0.12 0.00 0.04 0.00 0.00 61.00 62.16 2c46 s PRO 26 Cb -0.20 -3.13 0.01 0.00 0.04 0.00 0.00 34.50 31.22 2c46 s PRO 26 CO -0.04 0.48 0.37 -0.48 0.04 0.00 0.00 177.00 177.37 2c46 s LEU 27 N -1.44 0.64 0.75 -3.56 2.34 -0.70 -0.92 118.68 115.78 2c46 s LEU 27 Ca 0.41 -0.68 -0.12 0.00 0.06 0.00 0.00 54.13 53.80 2c46 s LEU 27 Cb -0.22 1.57 0.04 0.00 -0.56 0.00 0.00 46.19 47.01 2c46 s LEU 27 CO 0.27 -0.94 1.11 -1.59 -1.06 0.00 0.00 176.35 174.14 2c46 s LYS 28 N -3.92 2.52 0.36 1.48 -2.85 -0.96 -3.50 119.74 112.87 2c46 s LYS 28 Ca 0.13 0.41 -0.28 0.00 -1.00 0.00 0.00 55.97 55.23 2c46 s LYS 28 Cb 0.02 -1.99 -0.11 0.00 -2.06 0.00 0.00 37.83 33.69 2c46 s LYS 28 CO -0.02 -1.26 1.47 -2.37 0.10 0.00 0.00 175.35 173.26 2c46 n THR 29 N -3.15 1.85 -1.64 3.79 5.66 -0.34 -4.90 114.28 115.54 2c46 n THR 29 Ca 0.07 -0.46 -0.33 0.00 -3.05 0.00 0.00 64.05 60.28 2c46 n THR 29 Cb 0.58 -1.90 0.06 0.00 -1.55 0.00 0.00 70.33 67.52 2c46 n THR 29 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 175.07 171.98 2c46 s MET 30 N -1.82 2.66 -0.07 1.09 1.00 -1.26 -5.01 119.30 115.90 2c46 s MET 30 Ca 0.55 1.35 0.03 0.00 0.00 0.00 0.00 55.69 57.62 2c46 s MET 30 Cb -0.50 -1.94 0.01 0.00 0.00 0.00 0.00 34.83 32.41 2c46 s MET 30 CO 0.61 -1.35 -0.15 -0.51 0.00 0.00 0.00 175.02 173.62 2c46 s LEU 31 N -5.11 1.77 0.90 -0.03 1.43 -0.54 -4.34 118.68 112.76 2c46 s LEU 31 Ca 0.66 -0.35 -0.13 0.00 -1.03 0.00 0.00 54.13 53.28 2c46 s LEU 31 Cb -0.20 -0.95 0.13 0.00 0.03 0.00 0.00 46.19 45.20 2c46 s LEU 31 CO 0.45 0.07 1.15 -0.83 0.23 0.00 0.00 176.35 177.43 2c46 s GLY 32 N 0.51 1.59 0.55 -3.19 0.00 0.60 -3.67 107.32 103.70 2c46 s GLY 32 Ca -0.14 -0.59 0.38 0.00 0.00 0.00 0.00 44.72 44.37 2c46 s GLY 32 CO 0.04 -0.03 1.77 -2.55 0.00 0.00 0.00 173.10 172.34 2c46 h PRO 33 N -1.45 0.00 -0.09 2.90 0.11 -1.97 -1.77 132.00 129.73 2c46 h PRO 33 Ca -0.49 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.64 2c46 h PRO 33 Cb 1.33 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.43 2c46 h PRO 33 CO 0.61 0.00 0.10 0.07 -0.21 0.00 0.00 178.00 178.57 2c46 h ARG 34 N 0.00 0.00 -0.20 1.05 0.11 -1.93 -1.51 114.38 111.90 2c46 h ARG 34 Ca 0.59 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.67 2c46 h ARG 34 Cb 2.41 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.49 2c46 h ARG 34 CO -0.01 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.72 2c46 n TYR 35 N -3.85 0.26 0.25 4.08 4.01 -0.67 -4.50 117.16 116.74 2c46 n TYR 35 Ca -0.01 -0.13 0.10 0.00 -0.16 0.00 0.00 57.90 57.70 2c46 n TYR 35 Cb 0.20 0.00 0.66 0.00 -0.31 0.00 0.00 39.34 39.89 2c46 n TYR 35 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2c46 h ASP 36 N 2.44 0.00 0.93 7.72 3.32 -1.45 -0.60 116.42 128.78 2c46 h ASP 36 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2c46 h ASP 36 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2c46 h ASP 36 CO 0.00 0.12 0.00 0.77 -1.72 0.00 0.00 179.24 178.41 2c46 h SER 37 N 0.00 0.00 -0.01 6.45 4.64 -1.82 -2.95 113.55 119.86 2c46 h SER 37 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2c46 h SER 37 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2c46 h SER 37 CO 0.02 0.00 -0.44 0.00 -0.87 0.00 0.00 176.83 175.54 2c46 n GLN 38 N -2.65 1.43 -3.85 4.77 6.02 -0.26 -4.92 117.38 117.91 2c46 n GLN 38 Ca 0.02 -0.83 -0.26 0.00 -0.01 0.00 0.00 57.00 55.92 2c46 n GLN 38 Cb 0.28 -1.37 -0.17 0.00 1.02 0.00 0.00 30.24 30.00 2c46 n GLN 38 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2c46 s VAL 39 N -2.21 0.80 0.62 5.09 1.01 -1.03 -5.02 120.40 119.67 2c46 s VAL 39 Ca 0.15 -0.21 -0.18 0.00 0.00 0.00 0.00 61.98 61.74 2c46 s VAL 39 Cb 0.15 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 2c46 s VAL 39 CO 0.50 0.28 1.25 0.00 0.00 0.00 0.00 175.10 177.13 2c46 s ALA 40 N 1.79 2.45 0.35 5.51 0.00 -1.26 -4.74 121.76 125.86 2c46 s ALA 40 Ca 0.04 1.11 0.06 0.00 0.00 0.00 0.00 51.96 53.18 2c46 s ALA 40 Cb -0.13 -3.50 0.74 0.00 0.00 0.00 0.00 23.12 20.23 2c46 s ALA 40 CO -0.07 -1.41 1.93 1.49 0.00 0.00 0.00 175.76 177.70 2c46 h GLU 41 N 0.68 0.74 0.00 0.00 4.81 -1.98 0.37 114.58 119.20 2c46 h GLU 41 Ca -0.51 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 2c46 h GLU 41 Cb 1.32 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.53 2c46 h GLU 41 CO 0.54 0.49 0.00 -0.85 -0.73 0.00 0.00 179.01 178.46 2c46 n GLU 42 N -4.50 0.00 -0.02 1.92 0.00 -1.26 -2.60 120.64 114.18 2c46 n GLU 42 Ca 0.13 0.29 0.05 0.00 0.00 0.00 0.00 57.16 57.62 2c46 n GLU 42 Cb 0.30 -1.50 0.05 0.00 0.00 0.00 0.00 31.44 30.29 2c46 n GLU 42 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2c46 n ASN 43 N -1.50 1.89 -4.78 -1.84 3.02 0.13 -5.04 115.26 107.14 2c46 n ASN 43 Ca 0.03 -1.46 -0.36 0.00 -0.03 0.00 0.00 54.58 52.76 2c46 n ASN 43 Cb 0.14 -0.02 -0.02 0.00 -0.61 0.00 0.00 39.78 39.27 2c46 n ASN 43 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2c46 s ARG 44 N -0.80 3.81 -0.43 3.52 0.52 -1.06 -4.93 118.95 119.59 2c46 s ARG 44 Ca 0.12 1.58 0.07 0.00 -0.52 0.00 0.00 55.73 56.97 2c46 s ARG 44 Cb 0.08 -2.31 0.22 0.00 0.52 0.00 0.00 34.95 33.47 2c46 s ARG 44 CO 0.12 -0.46 0.58 0.34 0.02 0.00 0.00 175.30 175.89 2c46 n PHE 45 N -0.61 -1.45 -1.88 -0.53 7.35 -1.26 -5.08 117.46 114.00 2c46 n PHE 45 Ca 0.08 -2.92 -0.32 0.00 -0.76 0.00 0.00 57.45 53.53 2c46 n PHE 45 Cb 0.50 0.36 0.03 0.00 0.35 0.00 0.00 39.48 40.72 2c46 n PHE 45 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 2c46 s HIS 46 N -0.32 2.93 0.37 -5.13 3.76 -1.24 -1.46 115.29 114.20 2c46 s HIS 46 Ca 0.33 1.50 0.16 0.00 -0.15 0.00 0.00 55.06 56.91 2c46 s HIS 46 Cb 0.14 -3.01 1.06 0.00 1.11 0.00 0.00 32.58 31.87 2c46 s HIS 46 CO -0.15 -1.26 1.74 -1.35 -0.85 0.00 0.00 174.74 172.86 2c46 h PRO 47 N 0.09 0.41 -0.02 8.40 0.11 -1.94 -1.00 132.00 138.04 2c46 h PRO 47 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2c46 h PRO 47 Cb 1.22 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2c46 h PRO 47 CO 0.56 0.27 0.02 0.66 -0.21 0.00 0.00 178.00 179.30 2c46 h SER 48 N 0.42 0.02 -0.48 -2.05 4.64 -1.92 -1.92 113.55 112.26 2c46 h SER 48 Ca 0.64 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.94 2c46 h SER 48 Cb 1.52 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.59 2c46 h SER 48 CO -0.39 0.01 0.20 -0.03 -0.87 0.00 0.00 176.83 175.75 2c46 h MET 49 N 0.02 0.71 0.00 4.77 -1.53 -1.54 0.39 114.93 117.75 2c46 h MET 49 Ca 0.01 -0.12 0.01 0.00 -3.44 0.00 0.00 59.70 56.16 2c46 h MET 49 Cb 0.01 -0.12 -0.01 0.00 -0.55 0.00 0.00 31.60 30.93 2c46 h MET 49 CO -0.00 0.63 -0.07 1.25 0.14 0.00 0.00 176.91 178.86 2c46 h LEU 50 N 0.63 -0.19 -1.23 3.39 5.85 -1.40 -0.98 115.31 121.38 2c46 h LEU 50 Ca 0.16 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.85 2c46 h LEU 50 Cb 0.17 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2c46 h LEU 50 CO -0.02 -0.10 -0.30 0.77 -0.34 0.00 0.00 178.44 178.45 2c46 h SER 51 N -0.12 0.00 -0.31 1.25 4.64 -1.35 -0.53 113.55 117.14 2c46 h SER 51 Ca 0.03 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.25 2c46 h SER 51 Cb 0.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 2c46 h SER 51 CO -0.07 0.30 -0.12 0.78 -0.87 0.00 0.00 176.83 176.86 2c46 h ASN 52 N 0.00 0.72 -0.20 4.97 2.35 -0.59 -1.24 115.58 121.60 2c46 h ASN 52 Ca -0.00 -0.21 -0.15 0.00 -0.55 0.00 0.00 56.30 55.39 2c46 h ASN 52 Cb 0.71 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 2c46 h ASN 52 CO 0.04 0.87 -0.40 0.22 -1.65 0.00 0.00 177.43 176.50 2c46 h TYR 53 N 0.66 0.89 -0.25 1.19 3.20 -0.41 -1.28 116.97 120.97 2c46 h TYR 53 Ca 0.11 -0.26 -0.11 0.00 3.14 0.00 0.00 58.73 61.61 2c46 h TYR 53 Cb 0.59 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 2c46 h TYR 53 CO 0.03 1.02 -0.29 -0.07 -1.64 0.00 0.00 178.16 177.21 2c46 h LEU 54 N 0.60 0.52 -0.40 2.82 3.38 -0.96 -0.19 115.31 121.09 2c46 h LEU 54 Ca 0.05 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.68 2c46 h LEU 54 Cb 0.95 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2c46 h LEU 54 CO 0.09 0.80 -0.32 0.11 0.09 0.00 0.00 178.44 179.21 2c46 h LYS 55 N 0.45 0.92 -0.11 1.13 1.57 -1.19 -2.48 116.57 116.86 2c46 h LYS 55 Ca 0.06 -0.45 0.02 0.00 -1.87 0.00 0.00 60.65 58.41 2c46 h LYS 55 Cb 0.74 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 2c46 h LYS 55 CO 0.06 1.11 -0.03 0.66 -0.57 0.00 0.00 179.45 180.68 2c46 h SER 56 N 0.74 -0.12 0.49 0.86 4.64 -0.78 -2.40 113.55 116.98 2c46 h SER 56 Ca 0.07 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2c46 h SER 56 Cb 0.90 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 2c46 h SER 56 CO 0.08 -0.04 0.00 0.18 -0.87 0.00 0.00 176.83 176.18 2c46 n LEU 57 N -5.16 0.10 -3.45 5.97 4.77 -0.12 -4.87 117.00 114.24 2c46 n LEU 57 Ca -0.04 0.53 -0.25 0.00 -0.03 0.00 0.00 56.01 56.21 2c46 n LEU 57 Cb 0.09 -0.51 0.04 0.00 -2.33 0.00 0.00 43.42 40.70 2c46 n LEU 57 CO 0.28 -0.32 0.09 2.29 -1.33 0.00 0.00 177.39 178.40 2c46 n LYS 58 N -1.61 -5.74 -4.52 3.23 -0.00 -0.91 -5.01 118.16 103.60 2c46 n LYS 58 Ca 0.03 0.75 -0.21 0.00 -0.00 0.00 0.00 58.31 58.88 2c46 n LYS 58 Cb 0.16 -5.66 -0.15 0.00 -0.00 0.00 0.00 35.03 29.38 2c46 n LYS 58 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2c46 s VAL 59 N -3.21 0.94 -0.04 0.58 1.01 -0.95 -5.06 120.40 113.66 2c46 s VAL 59 Ca 0.49 -0.49 -0.19 0.00 0.00 0.00 0.00 61.98 61.79 2c46 s VAL 59 Cb -0.23 -0.79 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 2c46 s VAL 59 CO 0.60 0.27 0.52 -0.75 0.00 0.00 0.00 175.10 175.75 2c46 s LYS 60 N -0.15 4.26 -0.16 2.72 2.20 -1.26 -4.46 119.74 122.88 2c46 s LYS 60 Ca 0.02 0.58 -0.20 0.00 -0.36 0.00 0.00 55.97 56.02 2c46 s LYS 60 Cb -0.06 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 32.87 2c46 s LYS 60 CO -0.00 0.35 0.57 1.41 -0.36 0.00 0.00 175.35 177.32 2c46 s MET 61 N -0.06 4.27 -0.01 4.03 -2.45 -1.26 -0.97 119.30 122.84 2c46 s MET 61 Ca 0.28 0.56 -0.08 0.00 -1.25 0.00 0.00 55.69 55.20 2c46 s MET 61 Cb -0.17 -3.52 -0.30 0.00 1.25 0.00 0.00 34.83 32.09 2c46 s MET 61 CO 0.14 -0.07 0.82 0.78 1.05 0.00 0.00 175.02 177.74 2c46 h GLY 62 N 7.53 0.40 -5.57 2.11 0.00 -1.13 -3.41 103.07 102.99 2c46 h GLY 62 Ca -0.36 -1.01 -0.20 0.00 0.00 0.00 0.00 47.33 45.75 2c46 h GLY 62 CO 0.76 0.89 -0.57 -2.27 0.00 0.00 0.00 176.54 175.34 2c46 s LEU 63 N -7.19 1.39 -0.19 3.11 2.96 -1.25 -1.60 118.68 115.90 2c46 s LEU 63 Ca -0.11 0.27 0.01 0.00 -0.22 0.00 0.00 54.13 54.08 2c46 s LEU 63 Cb 0.06 0.43 0.03 0.00 0.50 0.00 0.00 46.19 47.21 2c46 s LEU 63 CO 0.87 -0.06 -0.18 -0.22 -1.32 0.00 0.00 176.35 175.44 2c46 s LEU 64 N 0.24 2.37 -0.25 -0.68 2.96 0.49 -0.06 118.68 123.74 2c46 s LEU 64 Ca -0.01 -0.77 -0.12 0.00 -0.22 0.00 0.00 54.13 53.01 2c46 s LEU 64 Cb -0.03 -1.50 -0.05 0.00 0.50 0.00 0.00 46.19 45.12 2c46 s LEU 64 CO -0.01 -0.03 0.25 -0.69 -1.32 0.00 0.00 176.35 174.55 2c46 s VAL 65 N 1.26 5.28 -0.32 1.68 1.01 0.48 -1.83 120.40 127.96 2c46 s VAL 65 Ca 0.03 0.33 -0.08 0.00 0.00 0.00 0.00 61.98 62.26 2c46 s VAL 65 Cb -0.14 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.68 2c46 s VAL 65 CO -0.11 0.27 0.12 -0.62 0.00 0.00 0.00 175.10 174.75 2c46 s ASP 66 N 1.37 5.34 0.00 3.32 2.15 -0.18 -1.77 116.67 126.90 2c46 s ASP 66 Ca 0.11 -0.87 0.20 0.00 0.43 0.00 0.00 52.55 52.42 2c46 s ASP 66 Cb -0.15 -1.92 0.54 0.00 -0.30 0.00 0.00 42.92 41.10 2c46 s ASP 66 CO 0.08 -0.27 1.45 0.18 -0.17 0.00 0.00 175.17 176.44 2c46 n LEU 67 N 4.89 2.66 -4.88 -1.34 4.77 0.88 -1.30 117.00 122.68 2c46 n LEU 67 Ca -0.13 -1.19 -0.30 0.00 -0.03 0.00 0.00 56.01 54.35 2c46 n LEU 67 Cb 0.47 -0.23 0.04 0.00 -2.33 0.00 0.00 43.42 41.37 2c46 n LEU 67 CO 0.33 0.60 0.74 0.42 -1.33 0.00 0.00 177.39 178.15 2c46 s THR 68 N -1.54 3.66 -0.24 -5.08 -4.23 -1.26 -4.58 115.64 102.37 2c46 s THR 68 Ca 0.35 0.52 0.14 0.00 -1.18 0.00 0.00 61.69 61.52 2c46 s THR 68 Cb 0.20 -3.53 0.72 0.00 1.34 0.00 0.00 72.50 71.23 2c46 s THR 68 CO 0.27 -0.70 1.67 0.59 -0.54 0.00 0.00 174.62 175.92 2c46 n ASN 69 N -2.96 4.97 -4.05 3.99 3.02 -1.26 -4.75 115.26 114.22 2c46 n ASN 69 Ca 0.07 -3.05 -0.08 0.00 -0.03 0.00 0.00 54.58 51.49 2c46 n ASN 69 Cb 0.57 -0.66 -0.09 0.00 -0.61 0.00 0.00 39.78 38.98 2c46 n ASN 69 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2c46 s THR 70 N -2.86 0.17 -0.89 3.41 -1.32 -1.26 -5.05 115.64 107.85 2c46 s THR 70 Ca 0.51 -1.68 0.09 0.00 -1.21 0.00 0.00 61.69 59.41 2c46 s THR 70 Cb 0.40 -1.61 0.24 0.00 -1.51 0.00 0.00 72.50 70.02 2c46 s THR 70 CO 0.13 -0.78 1.16 -1.54 -2.21 0.00 0.00 174.62 171.38 2c46 n SER 71 N 0.02 2.66 0.03 8.08 3.41 -1.26 -4.74 113.62 121.82 2c46 n SER 71 Ca -0.12 -1.90 0.13 0.00 -0.26 0.00 0.00 58.87 56.72 2c46 n SER 71 Cb 0.62 -0.17 0.42 0.00 -0.26 0.00 0.00 64.21 64.81 2c46 n SER 71 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2c46 n ARG 72 N 0.42 0.11 -0.01 4.33 1.85 -1.26 -2.49 116.66 119.60 2c46 n ARG 72 Ca 0.10 0.06 -0.16 0.00 -1.00 0.00 0.00 57.85 56.85 2c46 n ARG 72 Cb 0.38 -1.60 -0.12 0.00 -1.05 0.00 0.00 32.46 30.07 2c46 n ARG 72 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 2c46 h PHE 73 N 0.00 0.35 -3.52 2.89 0.04 -1.88 -3.39 116.94 111.43 2c46 h PHE 73 Ca 0.00 -0.20 -0.09 0.00 2.80 0.00 0.00 57.97 60.48 2c46 h PHE 73 Cb 0.59 -0.03 -0.16 0.00 2.20 0.00 0.00 35.95 38.55 2c46 h PHE 73 CO 0.00 1.04 -0.30 1.52 -0.60 0.00 0.00 178.31 179.96 2c46 s TYR 74 N -2.98 -0.00 -0.17 -0.55 1.13 -1.26 -0.29 117.35 113.23 2c46 s TYR 74 Ca -0.15 -0.25 -0.29 0.00 -1.41 0.00 0.00 57.07 54.96 2c46 s TYR 74 Cb 0.01 0.04 -0.03 0.00 -1.10 0.00 0.00 41.96 40.88 2c46 s TYR 74 CO 0.77 -0.51 1.47 0.34 -2.51 0.00 0.00 175.55 175.10 2c46 s ASP 75 N -2.35 6.68 0.55 -0.18 2.15 -1.26 -4.79 116.67 117.47 2c46 s ASP 75 Ca -0.02 1.77 0.23 0.00 0.43 0.00 0.00 52.55 54.96 2c46 s ASP 75 Cb 0.01 -2.54 1.50 0.00 -0.30 0.00 0.00 42.92 41.59 2c46 s ASP 75 CO -0.06 -0.98 2.14 0.08 -0.17 0.00 0.00 175.17 176.18 2c46 h ARG 76 N 9.38 0.00 0.00 4.34 0.11 -2.00 -0.94 114.38 125.27 2c46 h ARG 76 Ca -0.32 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.74 2c46 h ARG 76 Cb 1.14 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.21 2c46 h ARG 76 CO 0.98 0.00 -0.11 -0.97 0.10 0.00 0.00 179.97 179.97 2c46 h ASN 77 N 0.00 0.00 -0.31 0.08 -1.24 -1.98 -1.73 115.58 110.41 2c46 h ASN 77 Ca 0.06 0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.12 2c46 h ASN 77 Cb 0.27 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.30 2c46 h ASN 77 CO -0.00 0.11 0.21 0.44 -1.29 0.00 0.00 177.43 176.90 2c46 h ASP 78 N 0.00 0.15 0.02 1.15 3.32 -1.57 0.12 116.42 119.61 2c46 h ASP 78 Ca -0.00 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 2c46 h ASP 78 Cb 0.21 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2c46 h ASP 78 CO 0.01 0.10 -0.16 0.40 -1.72 0.00 0.00 179.24 177.87 2c46 h ILE 79 N 0.17 1.72 -0.01 0.35 1.08 -1.48 -3.38 117.51 115.96 2c46 h ILE 79 Ca 0.14 -2.36 -0.06 0.00 -0.39 0.00 0.00 64.86 62.18 2c46 h ILE 79 Cb 0.32 3.31 -0.01 0.00 -3.07 0.00 0.00 36.82 37.38 2c46 h ILE 79 CO -0.02 0.61 -0.27 -0.33 -0.69 0.00 0.00 178.15 177.44 2c46 h GLU 80 N -0.92 0.01 0.00 2.37 5.08 -0.95 -1.76 114.58 118.41 2c46 h GLU 80 Ca -0.04 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2c46 h GLU 80 Cb 1.09 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2c46 h GLU 80 CO 0.01 0.29 0.00 0.36 -1.00 0.00 0.00 179.01 178.66 2c46 n LYS 81 N -4.21 0.22 -0.18 2.33 2.85 0.38 -1.96 118.16 117.58 2c46 n LYS 81 Ca -0.02 0.39 0.06 0.00 -1.05 0.00 0.00 58.31 57.69 2c46 n LYS 81 Cb 0.33 -1.88 0.17 0.00 -0.65 0.00 0.00 35.03 33.00 2c46 n LYS 81 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2c46 n GLU 82 N -2.28 1.84 -1.06 -1.58 -0.58 -0.67 -4.90 120.64 111.40 2c46 n GLU 82 Ca 0.03 -1.30 -0.02 0.00 -0.42 0.00 0.00 57.16 55.45 2c46 n GLU 82 Cb 0.27 -1.29 -0.01 0.00 -0.57 0.00 0.00 31.44 29.84 2c46 n GLU 82 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2c46 n GLY 83 N 1.08 0.56 3.67 0.62 0.00 -0.83 -5.03 105.19 105.26 2c46 n GLY 83 Ca 0.12 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 2c46 n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2c46 s ILE 84 N -2.02 5.30 0.19 -0.61 1.01 -1.19 -4.88 121.20 118.99 2c46 s ILE 84 Ca 0.00 0.40 -0.30 0.00 0.00 0.00 0.00 60.65 60.74 2c46 s ILE 84 Cb 0.00 -3.59 -0.09 0.00 0.01 0.00 0.00 42.46 38.79 2c46 s ILE 84 CO 0.00 0.31 1.32 -0.75 0.00 0.00 0.00 174.94 175.82 2c46 s LYS 85 N 1.13 4.38 -0.12 2.79 2.47 -0.63 -3.62 119.74 126.15 2c46 s LYS 85 Ca 0.12 2.05 -0.00 0.00 -1.56 0.00 0.00 55.97 56.58 2c46 s LYS 85 Cb -0.14 -3.20 -0.02 0.00 -1.46 0.00 0.00 37.83 33.01 2c46 s LYS 85 CO 0.06 -0.27 -0.11 -0.47 0.16 0.00 0.00 175.35 174.72 2c46 s TYR 86 N 0.23 2.86 -0.04 4.03 6.14 -1.26 -0.38 117.35 128.92 2c46 s TYR 86 Ca 0.57 -0.44 -0.02 0.00 0.64 0.00 0.00 57.07 57.82 2c46 s TYR 86 Cb -0.36 -1.83 0.02 0.00 0.42 0.00 0.00 41.96 40.21 2c46 s TYR 86 CO 0.37 -0.06 0.10 0.42 0.64 0.00 0.00 175.55 177.01 2c46 s ILE 87 N 0.09 -0.02 -0.14 3.14 -1.09 -0.76 -4.98 121.20 117.44 2c46 s ILE 87 Ca -0.04 0.09 -0.17 0.00 -2.23 0.00 0.00 60.65 58.29 2c46 s ILE 87 Cb -0.14 -0.16 -0.04 0.00 -1.58 0.00 0.00 42.46 40.54 2c46 s ILE 87 CO 0.04 0.04 0.44 -0.75 -1.23 0.00 0.00 174.94 173.48 2c46 s LYS 88 N 0.56 4.30 -0.33 2.79 2.20 -1.26 -1.01 119.74 126.98 2c46 s LYS 88 Ca -0.04 0.37 0.03 0.00 -0.36 0.00 0.00 55.97 55.97 2c46 s LYS 88 Cb -0.06 -3.46 0.10 0.00 -1.51 0.00 0.00 37.83 32.90 2c46 s LYS 88 CO -0.02 0.12 0.04 -1.17 -0.36 0.00 0.00 175.35 173.95 2c46 s LEU 89 N 0.77 4.42 -0.28 5.43 2.96 -0.42 -4.92 118.68 126.65 2c46 s LEU 89 Ca 0.24 -2.03 -0.21 0.00 -0.22 0.00 0.00 54.13 51.90 2c46 s LEU 89 Cb -0.15 -1.56 -0.01 0.00 0.50 0.00 0.00 46.19 44.97 2c46 s LEU 89 CO 0.09 -0.36 0.67 -1.10 -1.32 0.00 0.00 176.35 174.33 2c46 s GLN 90 N 0.98 4.04 0.54 1.98 -0.21 -1.26 -4.22 119.66 121.51 2c46 s GLN 90 Ca 0.09 0.52 0.00 0.00 0.02 0.00 0.00 55.36 55.99 2c46 s GLN 90 Cb -0.19 -3.68 0.03 0.00 1.00 0.00 0.00 33.01 30.16 2c46 s GLN 90 CO -0.09 -0.51 0.77 0.00 -2.12 0.00 0.00 175.29 173.35 2c46 n LYS 92 N -2.33 2.41 -0.09 0.00 4.81 -1.26 -4.99 118.16 116.71 2c46 n LYS 92 Ca 0.06 0.86 0.00 0.00 -0.87 0.00 0.00 58.31 58.36 2c46 n LYS 92 Cb 0.59 -2.59 0.00 0.00 0.02 0.00 0.00 35.03 33.05 2c46 n LYS 92 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2c46 n GLY 93 N 2.18 0.71 3.51 3.14 0.00 -1.26 -4.36 105.19 109.11 2c46 n GLY 93 Ca 0.10 -1.87 -0.25 0.00 0.00 0.00 0.00 46.02 44.00 2c46 n GLY 93 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2c46 n HIS 94 N -0.24 -2.48 -0.30 1.61 8.25 -1.26 -2.18 115.22 118.61 2c46 n HIS 94 Ca 0.00 0.84 0.00 0.00 -0.26 0.00 0.00 57.72 58.30 2c46 n HIS 94 Cb 0.00 -4.56 0.00 0.00 1.12 0.00 0.00 29.99 26.55 2c46 n HIS 94 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2c46 n GLY 95 N -1.78 1.73 3.77 -1.41 0.00 -1.26 -5.02 105.19 101.22 2c46 n GLY 95 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 2c46 n GLY 95 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2c46 s GLU 96 N -0.24 4.19 0.70 1.61 0.41 -0.93 -4.99 118.70 119.45 2c46 s GLU 96 Ca 0.00 1.87 -0.17 0.00 -0.41 0.00 0.00 54.97 56.26 2c46 s GLU 96 Cb 0.00 -2.80 0.02 0.00 -1.78 0.00 0.00 34.13 29.57 2c46 s GLU 96 CO 0.00 -0.21 1.27 0.00 -0.49 0.00 0.00 175.26 175.83 2c46 n PRO 98 N -2.34 2.16 -1.31 0.00 -0.02 -1.26 -4.76 135.00 127.47 2c46 n PRO 98 Ca 0.15 0.77 -0.29 0.00 -2.02 0.00 0.00 63.50 62.11 2c46 n PRO 98 Cb 0.49 -2.43 0.18 0.00 -0.02 0.00 0.00 33.50 31.71 2c46 n PRO 98 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2c46 s THR 99 N -0.23 1.93 0.40 3.45 -4.23 -1.26 -4.82 115.64 110.88 2c46 s THR 99 Ca 0.65 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 61.25 2c46 s THR 99 Cb -0.61 -2.60 0.21 0.00 1.34 0.00 0.00 72.50 70.84 2c46 s THR 99 CO 0.52 0.00 1.98 0.71 -0.54 0.00 0.00 174.62 177.29 2c46 h THR 100 N -1.90 1.14 -0.51 3.99 1.35 -1.99 -1.27 112.91 113.72 2c46 h THR 100 Ca -0.51 -0.49 -0.04 0.00 -0.55 0.00 0.00 66.41 64.82 2c46 h THR 100 Cb 1.32 0.89 -0.02 0.00 -1.73 0.00 0.00 68.15 68.61 2c46 h THR 100 CO 0.54 0.17 0.17 -0.33 -0.25 0.00 0.00 175.52 175.82 2c46 h GLU 101 N 0.37 0.78 -0.69 4.72 3.07 -1.98 0.62 114.58 121.48 2c46 h GLU 101 Ca 0.09 -0.16 -0.04 0.00 -0.50 0.00 0.00 59.36 58.75 2c46 h GLU 101 Cb 0.17 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 27.94 2c46 h GLU 101 CO -0.00 0.72 0.29 -0.91 -1.40 0.00 0.00 179.01 177.71 2c46 h ASN 102 N 0.69 0.94 -0.11 1.42 -0.26 -1.77 -0.96 115.58 115.53 2c46 h ASN 102 Ca 0.17 -0.16 -0.21 0.00 -0.56 0.00 0.00 56.30 55.53 2c46 h ASN 102 Cb 0.26 -0.24 0.01 0.00 -1.06 0.00 0.00 38.32 37.28 2c46 h ASN 102 CO -0.01 0.85 -0.75 0.71 -1.06 0.00 0.00 177.43 177.17 2c46 h THR 103 N 0.98 1.30 -0.98 2.81 1.35 -1.08 -0.94 112.91 116.36 2c46 h THR 103 Ca 0.23 -1.98 0.02 0.00 -0.55 0.00 0.00 66.41 64.13 2c46 h THR 103 Cb 0.19 2.11 -0.05 0.00 -1.73 0.00 0.00 68.15 68.67 2c46 h THR 103 CO -0.02 0.62 0.65 -0.08 -0.25 0.00 0.00 175.52 176.43 2c46 h GLU 104 N 0.40 1.27 -0.28 4.72 4.22 -0.82 0.40 114.58 124.48 2c46 h GLU 104 Ca -0.06 -0.08 -0.02 0.00 0.08 0.00 0.00 59.36 59.28 2c46 h GLU 104 Cb 1.39 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 2c46 h GLU 104 CO 0.15 0.84 0.08 1.15 -2.18 0.00 0.00 179.01 179.05 2c46 h THR 105 N 1.31 1.21 -0.44 0.32 2.02 -1.00 -1.35 112.91 114.98 2c46 h THR 105 Ca 0.36 -0.67 0.04 0.00 0.77 0.00 0.00 66.41 66.91 2c46 h THR 105 Cb -0.12 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 2c46 h THR 105 CO -0.09 0.22 0.21 0.15 0.37 0.00 0.00 175.52 176.38 2c46 h PHE 106 N 0.29 0.38 -0.60 3.16 3.57 -0.77 -2.25 116.94 120.73 2c46 h PHE 106 Ca 0.09 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 2c46 h PHE 106 Cb 0.26 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 2c46 h PHE 106 CO 0.01 0.19 0.15 0.82 -2.23 0.00 0.00 178.31 177.25 2c46 h ILE 107 N 0.42 1.25 -0.39 1.41 2.04 -0.81 -2.35 117.51 119.09 2c46 h ILE 107 Ca 0.19 -0.90 0.06 0.00 1.00 0.00 0.00 64.86 65.21 2c46 h ILE 107 Cb 0.11 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 2c46 h ILE 107 CO -0.14 0.34 0.10 0.03 0.00 0.00 0.00 178.15 178.47 2c46 h ARG 108 N 0.86 0.23 -0.36 2.37 -0.00 -1.06 -2.15 114.38 114.27 2c46 h ARG 108 Ca 0.19 -0.01 0.04 0.00 -0.50 0.00 0.00 59.98 59.69 2c46 h ARG 108 Cb 0.35 -0.05 -0.04 0.00 0.00 0.00 0.00 29.97 30.23 2c46 h ARG 108 CO 0.00 0.15 0.14 -0.07 0.00 0.00 0.00 179.97 180.19 2c46 h LEU 109 N 0.23 0.17 -0.84 3.04 3.38 -1.19 -3.15 115.31 116.96 2c46 h LEU 109 Ca 0.19 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.07 2c46 h LEU 109 Cb 0.20 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2c46 h LEU 109 CO -0.23 0.14 -0.56 0.00 0.09 0.00 0.00 178.44 177.88 2c46 h GLU 111 N 0.00 0.34 -0.05 0.00 5.08 -1.34 -0.11 114.58 118.50 2c46 h GLU 111 Ca -0.01 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2c46 h GLU 111 Cb 1.02 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 2c46 h GLU 111 CO 0.07 0.22 0.06 0.00 -1.00 0.00 0.00 179.01 178.37 2c46 h ARG 112 N 0.35 0.00 -5.21 2.33 3.08 -1.68 -3.52 114.38 109.72 2c46 h ARG 112 Ca 0.34 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.71 2c46 h ARG 112 Cb 0.85 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.77 2c46 h ARG 112 CO -0.10 0.00 -0.48 -0.06 -1.07 0.00 0.00 179.97 178.26 2c46 s PHE 113 N -4.64 1.74 0.20 3.04 0.40 -0.06 -5.18 117.98 113.48 2c46 s PHE 113 Ca -0.05 -0.99 0.00 0.00 -0.60 0.00 0.00 56.93 55.29 2c46 s PHE 113 Cb 0.15 -1.62 0.00 0.00 0.51 0.00 0.00 43.02 42.06 2c46 s PHE 113 CO 0.55 0.12 0.00 0.39 0.70 0.00 0.00 175.22 176.98 2c46 n GLU 120 N -1.36 -3.31 -2.41 0.44 1.02 -1.26 -4.99 120.64 108.76 2c46 n GLU 120 Ca -0.19 2.44 -0.33 0.00 -0.02 0.00 0.00 57.16 59.05 2c46 n GLU 120 Cb 0.67 -2.58 -0.02 0.00 -0.02 0.00 0.00 31.44 29.48 2c46 n GLU 120 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2c46 s LEU 121 N -1.15 3.74 -0.27 -4.62 1.43 -0.15 -4.70 118.68 112.97 2c46 s LEU 121 Ca 0.00 1.86 -0.04 0.00 -1.03 0.00 0.00 54.13 54.92 2c46 s LEU 121 Cb 0.00 -4.55 0.02 0.00 0.03 0.00 0.00 46.19 41.69 2c46 s LEU 121 CO 0.00 -0.85 0.00 -0.63 0.23 0.00 0.00 176.35 175.10 2c46 s ILE 122 N -2.16 3.40 0.33 -0.59 1.01 0.53 -0.60 121.20 123.11 2c46 s ILE 122 Ca 0.65 -0.84 -0.26 0.00 0.00 0.00 0.00 60.65 60.20 2c46 s ILE 122 Cb -0.15 -2.73 -0.10 0.00 0.01 0.00 0.00 42.46 39.50 2c46 s ILE 122 CO 0.25 0.16 0.99 -0.83 0.00 0.00 0.00 174.94 175.51 2c46 s GLY 123 N 1.41 2.84 -0.03 6.18 0.00 0.92 -1.11 107.32 117.53 2c46 s GLY 123 Ca 0.02 0.61 -0.01 0.00 0.00 0.00 0.00 44.72 45.34 2c46 s GLY 123 CO -0.01 1.08 0.05 0.14 0.00 0.00 0.00 173.10 174.35 2c46 s VAL 124 N -1.55 -0.08 0.00 1.40 1.01 -0.87 -0.39 120.40 119.92 2c46 s VAL 124 Ca 0.51 0.35 -0.00 0.00 0.00 0.00 0.00 61.98 62.84 2c46 s VAL 124 Cb -0.21 -0.13 -0.00 0.00 0.00 0.00 0.00 36.38 36.03 2c46 s VAL 124 CO 0.27 0.15 0.00 -1.38 0.00 0.00 0.00 175.10 174.14 2c46 s HIS 125 N 1.78 0.06 0.00 5.22 -3.43 -0.73 -1.73 115.29 116.47 2c46 s HIS 125 Ca 0.00 -0.12 0.00 0.00 -0.80 0.00 0.00 55.06 54.14 2c46 s HIS 125 Cb -0.12 -0.05 0.00 0.00 -1.43 0.00 0.00 32.58 30.98 2c46 s HIS 125 CO -0.03 -0.06 0.00 0.00 -2.00 0.00 0.00 174.74 172.65 2c46 h THR 127 N 0.00 1.31 0.00 0.00 2.02 -1.90 -2.81 112.91 111.52 2c46 h THR 127 Ca 0.00 -1.61 0.00 0.00 0.77 0.00 0.00 66.41 65.57 2c46 h THR 127 Cb 0.00 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 2c46 h THR 127 CO 0.00 0.51 -0.76 1.41 0.37 0.00 0.00 175.52 177.05 2c46 n HIS 128 N -4.20 0.00 -2.06 3.16 8.25 -1.26 -1.20 115.22 117.91 2c46 n HIS 128 Ca -0.05 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.38 2c46 n HIS 128 Cb 0.54 -0.07 -0.00 0.00 1.12 0.00 0.00 29.99 31.58 2c46 n HIS 128 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2c46 n GLY 129 N 1.61 0.25 0.95 -1.41 0.00 -1.23 -3.87 105.19 101.49 2c46 n GLY 129 Ca 0.00 -0.77 -0.01 0.00 0.00 0.00 0.00 46.02 45.25 2c46 n GLY 129 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2c46 n PHE 130 N -4.00 0.00 -0.00 1.61 3.72 -1.26 -4.55 117.46 112.98 2c46 n PHE 130 Ca -0.03 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.36 2c46 n PHE 130 Cb 0.53 -0.04 -0.00 0.00 -0.94 0.00 0.00 39.48 39.02 2c46 n PHE 130 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 2c46 h ASN 131 N -0.09 0.00 -0.55 4.37 2.35 -1.93 -1.07 115.58 118.66 2c46 h ASN 131 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 2c46 h ASN 131 Cb 0.09 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 2c46 h ASN 131 CO 0.00 0.04 0.24 0.03 -1.65 0.00 0.00 177.43 176.09 2c46 h ARG 132 N -0.07 0.85 0.25 0.81 3.08 -1.99 -0.83 114.38 116.48 2c46 h ARG 132 Ca 0.00 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 2c46 h ARG 132 Cb 0.00 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.90 2c46 h ARG 132 CO 0.00 0.69 -0.12 1.15 -1.07 0.00 0.00 179.97 180.62 2c46 h THR 133 N 0.84 0.77 -0.43 2.04 2.02 -1.89 -2.39 112.91 113.87 2c46 h THR 133 Ca 0.20 -0.08 0.07 0.00 0.77 0.00 0.00 66.41 67.37 2c46 h THR 133 Cb 0.15 0.82 -0.06 0.00 -1.74 0.00 0.00 68.15 67.32 2c46 h THR 133 CO -0.02 0.02 0.09 1.23 0.37 0.00 0.00 175.52 177.21 2c46 h GLY 134 N -0.37 0.52 0.83 2.16 0.00 -0.99 -2.40 103.07 102.83 2c46 h GLY 134 Ca -0.03 -0.03 0.02 0.00 0.00 0.00 0.00 47.33 47.29 2c46 h GLY 134 CO 0.06 -0.04 -0.00 -2.75 0.00 0.00 0.00 176.54 173.80 2c46 h PHE 135 N 0.23 -0.01 -0.32 5.60 3.04 -1.02 -0.37 116.94 124.09 2c46 h PHE 135 Ca 0.21 0.01 -0.17 0.00 3.98 0.00 0.00 57.97 62.00 2c46 h PHE 135 Cb 0.26 0.02 -0.00 0.00 2.56 0.00 0.00 35.95 38.79 2c46 h PHE 135 CO -0.21 -0.01 -0.46 -0.07 -2.02 0.00 0.00 178.31 175.54 2c46 h LEU 136 N 0.04 0.94 -0.63 0.59 3.38 -1.43 -0.34 115.31 117.86 2c46 h LEU 136 Ca 0.05 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2c46 h LEU 136 Cb 0.06 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 2c46 h LEU 136 CO -0.09 1.25 0.40 0.40 0.09 0.00 0.00 178.44 180.49 2c46 h ILE 137 N 0.69 1.17 -0.52 1.22 2.04 -1.25 -1.86 117.51 119.00 2c46 h ILE 137 Ca 0.04 -0.35 -0.10 0.00 1.00 0.00 0.00 64.86 65.45 2c46 h ILE 137 Cb 1.05 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 2c46 h ILE 137 CO 0.11 0.17 -0.05 0.00 0.00 0.00 0.00 178.15 178.38 2c46 h ALA 139 N 0.93 0.84 -0.01 0.00 0.00 -0.90 -2.15 119.26 117.96 2c46 h ALA 139 Ca 0.14 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2c46 h ALA 139 Cb 0.60 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2c46 h ALA 139 CO 0.04 -0.02 0.01 0.35 0.00 0.00 0.00 179.25 179.62 2c46 h PHE 140 N 0.60 0.01 -0.88 0.00 3.04 -1.06 -0.09 116.94 118.57 2c46 h PHE 140 Ca 0.29 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.31 2c46 h PHE 140 Cb 0.22 -0.00 -0.06 0.00 2.56 0.00 0.00 35.95 38.66 2c46 h PHE 140 CO -0.10 0.07 0.54 -0.07 -2.02 0.00 0.00 178.31 176.74 2c46 h LEU 141 N -0.05 0.85 0.11 0.59 3.38 -1.12 0.39 115.31 119.46 2c46 h LEU 141 Ca 0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2c46 h LEU 141 Cb 0.06 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2c46 h LEU 141 CO -0.00 0.53 -0.05 0.58 0.09 0.00 0.00 178.44 179.59 2c46 h VAL 142 N 0.98 1.01 -0.23 1.22 2.07 -1.30 -1.72 116.25 118.27 2c46 h VAL 142 Ca 0.39 -1.30 -0.09 0.00 0.82 0.00 0.00 66.70 66.52 2c46 h VAL 142 Cb 0.20 1.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2c46 h VAL 142 CO -0.18 0.27 -0.19 -0.33 0.02 0.00 0.00 177.57 177.16 2c46 h GLU 143 N -0.84 0.53 0.00 1.57 5.08 -0.80 -1.41 114.58 118.72 2c46 h GLU 143 Ca -0.02 -0.27 -0.31 0.00 -1.00 0.00 0.00 59.36 57.77 2c46 h GLU 143 Cb 0.56 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.76 2c46 h GLU 143 CO 0.02 0.85 -1.87 1.17 -1.00 0.00 0.00 179.01 178.18 2c46 n LYS 144 N -4.42 0.65 -0.05 2.33 3.00 0.14 -4.35 118.16 115.45 2c46 n LYS 144 Ca -0.05 0.23 0.04 0.00 -0.00 0.00 0.00 58.31 58.53 2c46 n LYS 144 Cb 0.40 -1.73 0.06 0.00 0.00 0.00 0.00 35.03 33.76 2c46 n LYS 144 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2c46 n MET 145 N -3.00 1.20 -3.24 1.64 2.81 -1.06 -5.00 117.12 110.46 2c46 n MET 145 Ca -0.21 -1.31 -0.23 0.00 -1.81 0.00 0.00 57.70 54.13 2c46 n MET 145 Cb 1.07 -1.16 0.04 0.00 -0.71 0.00 0.00 33.22 32.47 2c46 n MET 145 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2c46 n ASP 146 N 0.32 -5.77 -4.80 7.83 2.03 -0.53 -4.93 116.55 110.70 2c46 n ASP 146 Ca 0.06 -0.39 -0.33 0.00 0.52 0.00 0.00 54.79 54.65 2c46 n ASP 146 Cb 0.26 -4.64 -0.02 0.00 -0.72 0.00 0.00 41.12 36.00 2c46 n ASP 146 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 2c46 s TRP 147 N -3.18 3.04 0.47 -0.67 0.52 -0.68 -4.97 118.94 113.47 2c46 s TRP 147 Ca 0.40 1.54 -0.23 0.00 0.02 0.00 0.00 56.10 57.83 2c46 s TRP 147 Cb -0.18 -3.01 -0.07 0.00 -1.15 0.00 0.00 33.47 29.05 2c46 s TRP 147 CO 0.49 -0.87 1.24 -1.54 0.02 0.00 0.00 176.95 176.29 2c46 s SER 148 N -2.38 5.98 0.44 2.95 1.04 -1.26 -4.36 113.70 116.11 2c46 s SER 148 Ca 0.65 2.49 0.10 0.00 0.48 0.00 0.00 55.95 59.67 2c46 s SER 148 Cb -0.15 -2.62 0.97 0.00 0.10 0.00 0.00 66.02 64.32 2c46 s SER 148 CO 0.27 -1.06 2.07 -0.29 0.98 0.00 0.00 173.24 175.21 2c46 h ILE 149 N 1.89 1.08 -0.13 -1.02 6.09 -1.95 -1.44 117.51 122.04 2c46 h ILE 149 Ca -0.50 -0.21 0.02 0.00 -1.37 0.00 0.00 64.86 62.80 2c46 h ILE 149 Cb 1.26 0.75 -0.02 0.00 0.47 0.00 0.00 36.82 39.28 2c46 h ILE 149 CO 0.60 0.09 -0.00 -0.33 -3.07 0.00 0.00 178.15 175.44 2c46 h GLU 150 N 0.34 0.04 -0.65 2.19 3.07 -1.94 -0.34 114.58 117.30 2c46 h GLU 150 Ca 0.09 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.91 2c46 h GLU 150 Cb 0.02 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 27.89 2c46 h GLU 150 CO -0.02 0.02 0.27 0.00 -1.40 0.00 0.00 179.01 177.89 2c46 h ALA 151 N 1.11 0.84 0.25 3.43 0.00 -1.84 -1.75 119.26 121.30 2c46 h ALA 151 Ca 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2c46 h ALA 151 Cb 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2c46 h ALA 151 CO -0.11 0.45 -0.12 0.00 0.00 0.00 0.00 179.25 179.48 2c46 h ALA 152 N 1.12 -0.33 -0.65 0.00 0.00 -1.10 0.10 119.26 118.40 2c46 h ALA 152 Ca 0.22 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2c46 h ALA 152 Cb 0.19 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2c46 h ALA 152 CO -0.02 -0.61 0.27 0.28 0.00 0.00 0.00 179.25 179.17 2c46 h VAL 153 N -0.49 1.24 -0.25 0.00 2.07 -1.07 -1.33 116.25 116.42 2c46 h VAL 153 Ca -0.03 -0.72 -0.14 0.00 0.82 0.00 0.00 66.70 66.63 2c46 h VAL 153 Cb 0.36 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2c46 h VAL 153 CO 0.06 0.29 -0.42 0.00 0.02 0.00 0.00 177.57 177.52 2c46 h ALA 154 N 1.12 0.81 -0.36 1.67 0.00 -1.30 -1.82 119.26 119.39 2c46 h ALA 154 Ca 0.22 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2c46 h ALA 154 Cb 0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2c46 h ALA 154 CO -0.02 0.65 0.16 1.15 0.00 0.00 0.00 179.25 181.19 2c46 h THR 155 N 0.48 1.17 -0.64 0.00 2.02 -0.51 -1.17 112.91 114.28 2c46 h THR 155 Ca 0.04 -0.52 -0.07 0.00 0.77 0.00 0.00 66.41 66.64 2c46 h THR 155 Cb 0.93 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 68.17 2c46 h THR 155 CO 0.08 0.19 0.13 0.15 0.37 0.00 0.00 175.52 176.44 2c46 h PHE 156 N 0.43 1.07 -0.81 3.16 3.57 -1.14 -1.14 116.94 122.08 2c46 h PHE 156 Ca 0.12 -0.13 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 2c46 h PHE 156 Cb 0.15 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.55 2c46 h PHE 156 CO -0.01 0.89 0.34 0.00 -2.23 0.00 0.00 178.31 177.30 2c46 h ALA 157 N 1.17 1.05 -0.45 2.41 0.00 -1.11 0.15 119.26 122.49 2c46 h ALA 157 Ca 0.20 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2c46 h ALA 157 Cb 0.37 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2c46 h ALA 157 CO 0.00 0.67 0.03 0.37 0.00 0.00 0.00 179.25 180.33 2c46 h GLN 158 N 1.18 0.77 0.00 0.00 5.75 -0.85 -2.20 115.11 119.76 2c46 h GLN 158 Ca 0.27 -0.23 -0.11 0.00 -0.15 0.00 0.00 58.65 58.44 2c46 h GLN 158 Cb 0.20 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 2c46 h GLN 158 CO -0.03 0.81 -0.53 0.00 -2.65 0.00 0.00 178.83 176.44 2c46 h ALA 159 N 0.93 1.10 -1.20 3.38 0.00 -0.97 -3.39 119.26 119.11 2c46 h ALA 159 Ca 0.13 -0.48 -0.40 0.00 0.00 0.00 0.00 54.91 54.16 2c46 h ALA 159 Cb 0.44 -0.08 -0.30 0.00 0.00 0.00 0.00 17.79 17.85 2c46 h ALA 159 CO 0.02 0.66 -0.88 -2.13 0.00 0.00 0.00 179.25 176.91 2c46 n ARG 160 N -3.86 0.90 -1.99 0.00 3.00 0.02 -1.44 116.66 113.30 2c46 n ARG 160 Ca -0.01 -2.74 -0.41 0.00 -0.00 0.00 0.00 57.85 54.69 2c46 n ARG 160 Cb 0.55 -1.39 -0.01 0.00 0.00 0.00 0.00 32.46 31.60 2c46 n ARG 160 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2c46 s PRO 161 N -1.03 4.25 -0.03 -0.14 0.04 -0.83 0.51 135.00 137.77 2c46 s PRO 161 Ca 0.33 2.36 0.06 0.00 0.04 0.00 0.00 61.00 63.79 2c46 s PRO 161 Cb 0.28 -3.04 0.22 0.00 0.04 0.00 0.00 34.50 32.00 2c46 s PRO 161 CO -0.10 -0.35 1.04 -0.35 0.04 0.00 0.00 177.00 177.28 2c46 n PRO 162 N 0.93 1.80 0.00 0.56 -0.04 -1.26 -5.09 135.00 131.90 2c46 n PRO 162 Ca 0.01 -0.87 0.00 0.00 -0.04 0.00 0.00 63.50 62.61 2c46 n PRO 162 Cb 0.41 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 2c46 n PRO 162 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2c46 n GLY 163 N 0.56 -0.99 3.70 0.55 0.00 0.18 -4.63 105.19 104.56 2c46 n GLY 163 Ca 0.08 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 2c46 n GLY 163 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2c46 s ILE 164 N 0.00 2.47 -0.11 -0.61 1.01 -1.26 -4.80 121.20 117.89 2c46 s ILE 164 Ca 0.00 0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.75 2c46 s ILE 164 Cb 0.00 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.41 2c46 s ILE 164 CO 0.00 0.00 0.35 0.00 0.00 0.00 0.00 174.94 175.29 2c46 n TYR 165 N 5.27 0.00 -2.45 3.97 0.18 -1.26 -4.69 117.16 118.17 2c46 n TYR 165 Ca 0.17 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.52 2c46 n TYR 165 Cb 0.38 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.31 2c46 n TYR 165 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 2c46 s LYS 166 N -0.48 4.29 0.28 -3.48 1.02 -1.26 -4.50 119.74 115.61 2c46 s LYS 166 Ca 0.01 1.65 -0.01 0.00 0.02 0.00 0.00 55.97 57.63 2c46 s LYS 166 Cb 0.01 -3.67 0.40 0.00 -0.52 0.00 0.00 37.83 34.05 2c46 s LYS 166 CO 0.03 -0.59 1.83 0.78 -0.92 0.00 0.00 175.35 176.49 2c46 h GLY 167 N 9.03 0.91 2.00 -3.33 0.00 -1.96 -2.39 103.07 107.34 2c46 h GLY 167 Ca -0.29 -0.51 -0.15 0.00 0.00 0.00 0.00 47.33 46.37 2c46 h GLY 167 CO 0.93 0.48 -0.73 1.29 0.00 0.00 0.00 176.54 178.51 2c46 h ASP 168 N 0.83 0.00 -0.21 0.19 2.03 -1.98 -1.07 116.42 116.21 2c46 h ASP 168 Ca 0.19 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.48 2c46 h ASP 168 Cb 0.26 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.75 2c46 h ASP 168 CO -0.01 0.73 0.11 1.88 -1.03 0.00 0.00 179.24 180.92 2c46 h TYR 169 N 0.00 0.29 -0.36 4.15 -1.99 -1.91 0.37 116.97 117.52 2c46 h TYR 169 Ca -0.01 -0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.73 2c46 h TYR 169 Cb 1.37 -0.09 -0.03 0.00 2.00 0.00 0.00 36.73 39.98 2c46 h TYR 169 CO 0.00 0.27 0.20 -0.07 -0.00 0.00 0.00 178.16 178.56 2c46 h LEU 170 N 0.22 0.31 -0.66 3.88 3.38 -1.31 -1.57 115.31 119.57 2c46 h LEU 170 Ca 0.07 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2c46 h LEU 170 Cb 0.09 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2c46 h LEU 170 CO -0.01 0.23 0.29 0.11 0.09 0.00 0.00 178.44 179.15 2c46 h LYS 171 N 0.41 0.96 -0.28 1.13 1.57 -1.12 -2.75 116.57 116.48 2c46 h LYS 171 Ca 0.14 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2c46 h LYS 171 Cb 0.02 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 2c46 h LYS 171 CO -0.08 0.79 0.12 1.49 -0.57 0.00 0.00 179.45 181.20 2c46 h GLU 172 N 0.92 0.42 -0.91 3.15 4.57 -0.65 0.28 114.58 122.36 2c46 h GLU 172 Ca 0.22 -0.07 0.10 0.00 -1.18 0.00 0.00 59.36 58.44 2c46 h GLU 172 Cb 0.16 -0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 28.61 2c46 h GLU 172 CO -0.02 0.42 0.59 -0.07 -1.18 0.00 0.00 179.01 178.75 2c46 h LEU 173 N 0.32 0.82 -0.27 1.64 3.38 -1.27 0.11 115.31 120.03 2c46 h LEU 173 Ca 0.10 0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.89 2c46 h LEU 173 Cb 0.15 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2c46 h LEU 173 CO -0.01 0.47 -0.86 -0.26 0.09 0.00 0.00 178.44 177.87 2c46 h PHE 174 N 0.90 0.50 -0.95 1.13 -1.00 -1.14 -0.60 116.94 115.79 2c46 h PHE 174 Ca 0.43 -0.26 0.01 0.00 2.81 0.00 0.00 57.97 60.96 2c46 h PHE 174 Cb 0.44 -0.06 -0.05 0.00 3.61 0.00 0.00 35.95 39.89 2c46 h PHE 174 CO -0.00 1.06 0.63 -0.09 -1.61 0.00 0.00 178.31 178.29 2c46 h ARG 175 N 0.21 1.24 0.08 1.51 2.43 0.72 0.67 114.38 121.24 2c46 h ARG 175 Ca -0.06 -0.07 -0.27 0.00 -0.81 0.00 0.00 59.98 58.77 2c46 h ARG 175 Cb 1.48 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 2c46 h ARG 175 CO 0.14 0.82 -1.36 0.00 -1.51 0.00 0.00 179.97 178.07 2c46 h ARG 176 N 1.28 0.16 0.00 0.20 3.08 -0.78 -3.41 114.38 114.91 2c46 h ARG 176 Ca 0.35 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2c46 h ARG 176 Cb -0.14 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.02 2c46 h ARG 176 CO -0.08 1.04 0.00 0.66 -1.07 0.00 0.00 179.97 180.52 2c46 n TYR 177 N -3.40 0.00 0.00 3.04 4.01 -0.24 -5.06 117.16 115.51 2c46 n TYR 177 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 2c46 n TYR 177 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.04 2c46 n TYR 177 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2c46 n GLY 178 N 0.17 3.73 3.17 2.72 0.00 0.21 -4.53 105.19 110.65 2c46 n GLY 178 Ca 0.00 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 2c46 n GLY 178 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2c46 s ASP 179 N 1.53 2.95 0.55 1.61 1.11 -1.10 -4.72 116.67 118.60 2c46 s ASP 179 Ca 0.00 -0.55 0.27 0.00 0.18 0.00 0.00 52.55 52.45 2c46 s ASP 179 Cb 0.00 -1.36 1.46 0.00 1.07 0.00 0.00 42.92 44.09 2c46 s ASP 179 CO 0.00 0.10 1.98 0.40 1.18 0.00 0.00 175.17 178.83 2c46 h ILE 180 N 5.80 0.61 0.00 0.77 1.08 -1.86 -0.46 117.51 123.44 2c46 h ILE 180 Ca -0.27 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.18 2c46 h ILE 180 Cb 1.21 0.71 -0.00 0.00 -3.07 0.00 0.00 36.82 35.66 2c46 h ILE 180 CO 0.51 0.00 -0.10 1.05 -0.69 0.00 0.00 178.15 178.92 2c46 h GLU 181 N 0.00 0.00 -0.08 2.37 -0.00 -1.94 -2.90 114.58 112.03 2c46 h GLU 181 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.60 2c46 h GLU 181 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.80 2c46 h GLU 181 CO -0.00 0.10 0.00 0.39 -0.00 0.00 0.00 179.01 179.50 2c46 n GLU 182 N -3.42 1.59 -1.89 1.06 -0.58 -0.18 -4.94 120.64 112.28 2c46 n GLU 182 Ca -0.01 -0.87 -0.42 0.00 -0.42 0.00 0.00 57.16 55.44 2c46 n GLU 182 Cb 0.26 -1.43 -0.02 0.00 -0.57 0.00 0.00 31.44 29.68 2c46 n GLU 182 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2c46 s ALA 183 N -1.91 3.75 0.58 0.62 0.00 -1.10 -4.97 121.76 118.73 2c46 s ALA 183 Ca 0.36 1.44 -0.16 0.00 0.00 0.00 0.00 51.96 53.59 2c46 s ALA 183 Cb 0.19 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 2c46 s ALA 183 CO 0.30 -0.84 1.05 -1.25 0.00 0.00 0.00 175.76 175.02 2c46 s PRO 184 N 0.32 3.39 0.67 0.00 0.04 -1.26 -5.01 135.00 133.15 2c46 s PRO 184 Ca 0.66 1.23 -0.13 0.00 0.04 0.00 0.00 61.00 62.80 2c46 s PRO 184 Cb -0.45 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.05 2c46 s PRO 184 CO 0.39 -0.76 1.07 -1.25 0.04 0.00 0.00 177.00 176.49 2c46 s PRO 185 N -3.96 2.93 0.30 0.56 0.04 -1.26 -4.85 135.00 128.75 2c46 s PRO 185 Ca 0.64 1.13 -0.29 0.00 0.04 0.00 0.00 61.00 62.51 2c46 s PRO 185 Cb -0.16 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 2c46 s PRO 185 CO 0.35 -1.12 1.43 -1.25 0.04 0.00 0.00 177.00 176.44 2c46 s PRO 186 N -4.59 4.25 1.14 0.56 0.04 -1.26 -4.98 135.00 130.16 2c46 s PRO 186 Ca 0.61 2.35 -0.14 0.00 0.04 0.00 0.00 61.00 63.86 2c46 s PRO 186 Cb -0.16 -3.07 0.26 0.00 0.04 0.00 0.00 34.50 31.57 2c46 s PRO 186 CO 0.48 -0.39 1.05 -1.25 0.04 0.00 0.00 177.00 176.93 2c46 s PRO 187 N -1.07 -0.68 0.37 0.56 0.04 -1.26 -4.95 135.00 128.00 2c46 s PRO 187 Ca 0.56 0.49 -0.28 0.00 0.04 0.00 0.00 61.00 61.80 2c46 s PRO 187 Cb -0.43 -1.61 -0.11 0.00 0.04 0.00 0.00 34.50 32.39 2c46 s PRO 187 CO 0.50 -3.47 1.45 1.28 0.04 0.00 0.00 177.00 176.79 2c46 n LEU 188 N -4.69 4.53 -4.67 -3.56 4.77 -1.26 -4.91 117.00 107.20 2c46 n LEU 188 Ca 0.06 1.22 -0.48 0.00 -0.03 0.00 0.00 56.01 56.78 2c46 n LEU 188 Cb 0.57 -1.59 -0.05 0.00 -2.33 0.00 0.00 43.42 40.02 2c46 n LEU 188 CO 0.55 0.03 1.35 -0.11 -1.33 0.00 0.00 177.39 177.87 2c46 n LEU 189 N 0.53 3.21 -4.60 2.23 7.94 -1.26 -4.92 117.00 120.13 2c46 n LEU 189 Ca 0.02 1.03 -0.39 0.00 -1.11 0.00 0.00 56.01 55.56 2c46 n LEU 189 Cb 0.38 -1.38 0.04 0.00 0.53 0.00 0.00 43.42 42.99 2c46 n LEU 189 CO 0.64 -0.19 0.51 -2.65 -1.11 0.00 0.00 177.39 174.58 2c46 n PRO 190 N 5.16 1.00 0.12 1.96 -0.02 -1.26 -4.90 135.00 137.05 2c46 n PRO 190 Ca 0.20 0.38 0.04 0.00 -2.02 0.00 0.00 63.50 62.10 2c46 n PRO 190 Cb 0.28 -2.10 0.46 0.00 -0.02 0.00 0.00 33.50 32.12 2c46 n PRO 190 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2c46 h ASP 191 N 0.76 0.23 0.51 2.55 5.19 -2.00 -1.80 116.42 121.86 2c46 h ASP 191 Ca -0.47 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 2c46 h ASP 191 Cb 1.36 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.81 2c46 h ASP 191 CO 0.52 0.28 0.00 -2.67 -3.12 0.00 0.00 179.24 174.26 2c46 n TRP 192 N -4.38 0.08 0.65 4.55 4.27 -1.26 -1.50 117.44 119.85 2c46 n TRP 192 Ca -0.00 0.03 0.13 0.00 -3.89 0.00 0.00 57.50 53.77 2c46 n TRP 192 Cb 0.18 -0.55 0.33 0.00 -1.36 0.00 0.00 31.31 29.91 2c46 n TRP 192 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2c46 s PHE 194 N -3.11 2.89 -0.00 0.00 -0.00 -0.56 -4.94 117.98 112.26 2c46 s PHE 194 Ca 0.09 0.66 0.01 0.00 -0.00 0.00 0.00 56.93 57.70 2c46 s PHE 194 Cb 0.13 -4.03 -0.00 0.00 -0.00 0.00 0.00 43.02 39.12 2c46 s PHE 194 CO 0.64 -3.65 -0.04 -1.21 -0.00 0.00 0.00 175.22 170.96 2c46 s GLU 195 N 0.29 0.34 -0.38 1.99 2.02 -1.26 -4.99 118.70 116.71 2c46 s GLU 195 Ca 0.67 -0.18 -0.22 0.00 0.02 0.00 0.00 54.97 55.26 2c46 s GLU 195 Cb -0.47 -0.31 0.01 0.00 0.10 0.00 0.00 34.13 33.46 2c46 s GLU 195 CO 0.40 0.08 0.71 0.34 0.02 0.00 0.00 175.26 176.82 2c46 s ASP 196 N -0.19 6.46 0.59 -0.19 -1.08 -1.26 -4.95 116.67 116.05 2c46 s ASP 196 Ca 0.01 0.13 0.33 0.00 -0.52 0.00 0.00 52.55 52.50 2c46 s ASP 196 Cb -0.02 -2.36 1.87 0.00 -1.46 0.00 0.00 42.92 40.95 2c46 s ASP 196 CO -0.00 -0.72 2.23 0.44 0.52 0.00 0.00 175.17 177.65 2c46 h ASP 197 N 8.59 0.00 -0.12 -0.34 3.32 -2.04 -1.53 116.42 124.31 2c46 h ASP 197 Ca -0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.80 2c46 h ASP 197 Cb 1.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.65 2c46 h ASP 197 CO 0.89 0.03 0.00 -0.62 -1.72 0.00 0.00 179.24 177.82 2c46 n GLU 198 N -3.57 1.80 0.00 3.56 4.71 -1.26 -5.37 120.64 120.50 2c46 n GLU 198 Ca -0.03 -1.19 0.15 0.00 -0.01 0.00 0.00 57.16 56.08 2c46 n GLU 198 Cb 0.12 -1.44 0.74 0.00 -1.01 0.00 0.00 31.44 29.86 2c46 n GLU 198 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97