#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 3.43 0.13 -1.84 3.84 -1.26 -4.95 114.94 114.29 2c46 s ASN -5 Ca 0.00 -2.25 0.18 0.00 0.21 0.00 0.00 52.86 50.99 2c46 s ASN -5 Cb 0.00 -0.73 0.76 0.00 -0.55 0.00 0.00 41.25 40.74 2c46 s ASN -5 CO 0.00 -0.31 1.55 0.18 -2.79 0.00 0.00 177.10 175.72 2c46 n LEU -4 N 4.00 0.33 -0.24 3.21 4.77 -1.25 -2.79 117.00 125.03 2c46 n LEU -4 Ca 0.08 0.59 0.15 0.00 -0.03 0.00 0.00 56.01 56.79 2c46 n LEU -4 Cb 0.37 -0.56 0.44 0.00 -2.33 0.00 0.00 43.42 41.34 2c46 n LEU -4 CO 0.18 -0.46 1.22 0.22 -1.33 0.00 0.00 177.39 177.22 2c46 h TYR -3 N 0.00 0.68 -0.60 -1.77 5.03 -1.64 -0.63 116.97 118.05 2c46 h TYR -3 Ca 0.00 0.02 -0.18 0.00 2.58 0.00 0.00 58.73 61.15 2c46 h TYR -3 Cb 0.26 -0.21 -0.11 0.00 1.55 0.00 0.00 36.73 38.22 2c46 h TYR -3 CO 0.00 0.23 0.23 1.19 -1.32 0.00 0.00 178.16 178.49 2c46 n PHE -2 N -4.54 1.98 -4.58 -3.82 3.01 -1.12 -4.92 117.46 103.47 2c46 n PHE -2 Ca 0.17 -1.01 -0.27 0.00 1.01 0.00 0.00 57.45 57.35 2c46 n PHE -2 Cb 0.55 -0.59 -0.08 0.00 -0.01 0.00 0.00 39.48 39.34 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 -2.46 1.99 0.00 -1.08 1.11 -0.24 -5.14 119.66 113.84 2c46 s GLN -1 Ca 0.43 -2.22 0.01 0.00 0.01 0.00 0.00 55.36 53.59 2c46 s GLN -1 Cb 0.35 -0.89 -0.04 0.00 -1.01 0.00 0.00 33.01 31.42 2c46 s GLN -1 CO 0.11 -0.42 0.05 -1.12 0.01 0.00 0.00 175.29 173.91 2c46 s SER 0 N -3.67 5.44 0.00 5.90 0.01 -1.26 -5.03 113.70 115.09 2c46 s SER 0 Ca 0.20 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.53 2c46 s SER 0 Cb 0.03 -1.50 0.00 0.00 0.21 0.00 0.00 66.02 64.76 2c46 s SER 0 CO 0.12 0.27 0.00 -0.46 0.41 0.00 0.00 173.24 173.57 2c46 n ASN 4 N 1.21 0.00 -4.90 2.44 0.23 -1.26 -5.21 115.26 107.77 2c46 n ASN 4 Ca -0.13 -0.24 -0.28 0.00 -0.53 0.00 0.00 54.58 53.40 2c46 n ASN 4 Cb 0.53 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.20 2c46 n ASN 4 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 2c46 s LYS 5 N 0.00 3.63 0.70 -3.83 2.47 -1.26 -5.05 119.74 116.40 2c46 s LYS 5 Ca 0.00 0.06 -0.13 0.00 -1.56 0.00 0.00 55.97 54.34 2c46 s LYS 5 Cb 0.00 -2.58 0.02 0.00 -1.46 0.00 0.00 37.83 33.81 2c46 s LYS 5 CO 0.00 0.12 1.10 0.96 0.16 0.00 0.00 175.35 177.68 2c46 s ILE 6 N -2.23 3.37 0.52 5.43 -4.36 -1.26 -4.99 121.20 117.68 2c46 s ILE 6 Ca 0.45 0.55 -0.21 0.00 -0.26 0.00 0.00 60.65 61.18 2c46 s ILE 6 Cb -0.10 -3.07 -0.06 0.00 1.25 0.00 0.00 42.46 40.48 2c46 s ILE 6 CO 0.32 -0.48 1.22 -2.84 0.24 0.00 0.00 174.94 173.40 2c46 s PRO 7 N -4.46 3.38 0.66 0.37 0.02 -1.26 -4.98 135.00 128.73 2c46 s PRO 7 Ca 0.64 1.88 -0.17 0.00 0.02 0.00 0.00 61.00 63.37 2c46 s PRO 7 Cb -0.18 -2.21 0.00 0.00 0.02 0.00 0.00 34.50 32.13 2c46 s PRO 7 CO 0.47 -0.89 1.20 -2.14 -0.33 0.00 0.00 177.00 175.31 2c46 s PRO 8 N -2.96 2.58 -1.63 5.54 0.02 -1.26 -3.57 135.00 133.72 2c46 s PRO 8 Ca 0.70 1.77 0.00 0.00 0.02 0.00 0.00 61.00 63.49 2c46 s PRO 8 Cb -0.31 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.32 2c46 s PRO 8 CO 0.36 -1.50 0.00 0.54 -0.33 0.00 0.00 177.00 176.08 2c46 n ARG 9 N -2.17 -1.41 -0.10 5.54 1.74 -1.26 -4.88 116.66 114.13 2c46 n ARG 9 Ca 0.13 0.93 -0.13 0.00 -0.77 0.00 0.00 57.85 58.02 2c46 n ARG 9 Cb 0.50 -5.39 -0.11 0.00 -1.02 0.00 0.00 32.46 26.44 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 -3.69 0.00 -0.30 -1.55 -0.00 -1.23 -4.32 117.44 106.34 2c46 n TRP 10 Ca -0.21 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.34 2c46 n TRP 10 Cb 0.65 -0.83 0.26 0.00 -0.00 0.00 0.00 31.31 31.39 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 0.87 -2.70 5.87 3.38 -1.90 -1.83 115.31 119.00 2c46 h LEU 11 Ca -0.47 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2c46 h LEU 11 Cb 1.84 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.42 2c46 h LEU 11 CO -0.04 0.54 0.00 0.59 0.09 0.00 0.00 178.44 179.62 2c46 n ASN 12 N -4.51 3.14 -4.72 -0.43 3.02 -1.26 -4.87 115.26 105.62 2c46 n ASN 12 Ca 0.14 -1.96 -0.42 0.00 -0.03 0.00 0.00 54.58 52.32 2c46 n ASN 12 Cb 0.25 -0.28 -0.03 0.00 -0.61 0.00 0.00 39.78 39.10 2c46 n ASN 12 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2c46 n PRO 14 N 3.22 2.68 0.03 0.00 -0.04 -1.26 -4.94 135.00 134.69 2c46 n PRO 14 Ca 0.06 0.94 -0.12 0.00 -0.04 0.00 0.00 63.50 64.35 2c46 n PRO 14 Cb 0.46 -2.69 -0.06 0.00 -0.04 0.00 0.00 33.50 31.17 2c46 n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2c46 h ARG 15 N 3.43 -0.01 -2.64 0.54 3.08 -1.95 -3.39 114.38 113.42 2c46 h ARG 15 Ca -0.50 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.45 2c46 h ARG 15 Cb 1.24 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 31.07 2c46 h ARG 15 CO 0.68 -0.01 -0.14 -0.98 -1.07 0.00 0.00 179.97 178.45 2c46 s ARG 16 N -6.19 0.67 1.01 0.04 1.70 -1.26 -1.92 118.95 113.00 2c46 s ARG 16 Ca -0.13 0.32 -0.16 0.00 -0.47 0.00 0.00 55.73 55.28 2c46 s ARG 16 Cb 0.07 0.31 0.21 0.00 -0.57 0.00 0.00 34.95 34.97 2c46 s ARG 16 CO 0.66 -0.14 1.25 0.20 -1.08 0.00 0.00 175.30 176.19 2c46 s GLY 17 N -0.48 1.71 0.52 3.88 0.00 -0.01 -5.00 107.32 107.94 2c46 s GLY 17 Ca -0.06 -1.08 -0.19 0.00 0.00 0.00 0.00 44.72 43.39 2c46 s GLY 17 CO 0.03 -0.30 1.07 1.20 0.00 0.00 0.00 173.10 175.10 2c46 s GLN 18 N -5.73 3.58 0.32 2.90 -1.52 -0.56 -4.70 119.66 113.95 2c46 s GLN 18 Ca 0.72 1.41 -0.29 0.00 -1.95 0.00 0.00 55.36 55.25 2c46 s GLN 18 Cb -0.06 -2.06 -0.11 0.00 -0.22 0.00 0.00 33.01 30.56 2c46 s GLN 18 CO 0.54 -0.63 1.51 -2.14 -0.25 0.00 0.00 175.29 174.31 2c46 s PRO 19 N -3.39 4.16 -0.27 2.91 0.02 -1.26 -4.57 135.00 132.60 2c46 s PRO 19 Ca 0.68 2.50 -0.17 0.00 0.02 0.00 0.00 61.00 64.04 2c46 s PRO 19 Cb -0.19 -3.02 -0.03 0.00 0.02 0.00 0.00 34.50 31.29 2c46 s PRO 19 CO 0.25 -0.53 0.47 0.08 -0.33 0.00 0.00 177.00 176.95 2c46 s VAL 20 N -0.52 5.10 -1.53 3.83 1.01 0.20 -4.16 120.40 124.34 2c46 s VAL 20 Ca 0.58 0.75 0.00 0.00 0.00 0.00 0.00 61.98 63.31 2c46 s VAL 20 Cb -0.46 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.13 2c46 s VAL 20 CO 0.53 0.09 0.00 0.00 0.00 0.00 0.00 175.10 175.72 2c46 n ALA 21 N 5.49 -0.67 -2.13 5.51 0.00 -1.26 -0.59 120.51 126.86 2c46 n ALA 21 Ca -0.05 0.15 -0.17 0.00 0.00 0.00 0.00 53.44 53.36 2c46 n ALA 21 Cb 0.50 -1.93 -0.03 0.00 0.00 0.00 0.00 19.45 17.99 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 -0.92 0.17 0.00 0.00 0.00 -1.26 -4.80 105.19 98.39 2c46 n GLY 22 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2c46 n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c46 n ARG 23 N -2.69 0.64 -4.67 1.61 1.74 0.24 -4.78 116.66 108.75 2c46 n ARG 23 Ca -0.20 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.65 2c46 n ARG 23 Cb 0.63 -0.62 -0.15 0.00 -1.02 0.00 0.00 32.46 31.31 2c46 n ARG 23 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2c46 s PHE 24 N -1.23 1.36 -0.28 -1.55 0.08 -0.86 -0.89 117.98 114.61 2c46 s PHE 24 Ca 0.00 -0.27 0.03 0.00 0.12 0.00 0.00 56.93 56.81 2c46 s PHE 24 Cb 0.00 -0.87 0.07 0.00 -0.57 0.00 0.00 43.02 41.65 2c46 s PHE 24 CO 0.00 -0.01 -0.08 -1.17 -0.10 0.00 0.00 175.22 173.86 2c46 s LEU 25 N -0.47 3.69 0.07 -0.37 2.96 -0.29 0.60 118.68 124.88 2c46 s LEU 25 Ca 0.05 -1.52 -0.23 0.00 -0.22 0.00 0.00 54.13 52.21 2c46 s LEU 25 Cb -0.06 -1.57 -0.06 0.00 0.50 0.00 0.00 46.19 44.99 2c46 s LEU 25 CO -0.00 -0.23 0.70 -2.16 -1.32 0.00 0.00 176.35 173.34 2c46 s PRO 26 N 1.07 4.43 0.19 0.98 0.04 -1.26 -1.20 135.00 139.25 2c46 s PRO 26 Ca -0.05 0.97 -0.09 0.00 0.04 0.00 0.00 61.00 61.87 2c46 s PRO 26 Cb -0.20 -3.31 -0.01 0.00 0.04 0.00 0.00 34.50 31.02 2c46 s PRO 26 CO -0.05 0.44 0.30 -0.48 0.04 0.00 0.00 177.00 177.26 2c46 s LEU 27 N -0.58 0.85 0.77 -3.56 2.34 -0.67 -0.83 118.68 117.01 2c46 s LEU 27 Ca 0.35 -0.95 -0.12 0.00 0.06 0.00 0.00 54.13 53.47 2c46 s LEU 27 Cb -0.21 1.21 0.05 0.00 -0.56 0.00 0.00 46.19 46.68 2c46 s LEU 27 CO 0.22 -0.94 1.11 -1.59 -1.06 0.00 0.00 176.35 174.09 2c46 s LYS 28 N -4.00 2.33 0.36 1.48 -2.85 -0.81 -3.57 119.74 112.68 2c46 s LYS 28 Ca 0.21 0.48 -0.28 0.00 -1.00 0.00 0.00 55.97 55.38 2c46 s LYS 28 Cb 0.03 -1.96 -0.12 0.00 -2.06 0.00 0.00 37.83 33.72 2c46 s LYS 28 CO 0.03 -1.41 1.40 -2.37 0.10 0.00 0.00 175.35 173.10 2c46 n THR 29 N -3.26 1.99 -1.69 3.79 5.66 -0.60 -4.89 114.28 115.27 2c46 n THR 29 Ca 0.07 -0.50 -0.33 0.00 -3.05 0.00 0.00 64.05 60.25 2c46 n THR 29 Cb 0.57 -1.79 0.05 0.00 -1.55 0.00 0.00 70.33 67.62 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 -1.99 2.77 -0.08 1.09 -1.94 -1.26 -5.01 119.30 112.87 2c46 s MET 30 Ca 0.54 1.31 0.02 0.00 -1.71 0.00 0.00 55.69 55.85 2c46 s MET 30 Cb -0.52 -1.95 0.01 0.00 2.01 0.00 0.00 34.83 34.38 2c46 s MET 30 CO 0.63 -1.27 -0.14 -0.51 -0.01 0.00 0.00 175.02 173.72 2c46 s LEU 31 N -5.05 1.69 0.99 -0.03 1.43 -0.50 -4.37 118.68 112.85 2c46 s LEU 31 Ca 0.65 -0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 53.26 2c46 s LEU 31 Cb -0.19 -0.95 0.18 0.00 0.03 0.00 0.00 46.19 45.26 2c46 s LEU 31 CO 0.44 0.04 1.13 -0.83 0.23 0.00 0.00 176.35 177.36 2c46 s GLY 32 N 0.73 1.58 0.61 -3.19 0.00 0.64 -3.49 107.32 104.21 2c46 s GLY 32 Ca -0.13 -0.56 0.30 0.00 0.00 0.00 0.00 44.72 44.33 2c46 s GLY 32 CO 0.03 0.07 2.02 -0.56 0.00 0.00 0.00 173.10 174.66 2c46 h PRO 33 N -1.80 0.00 -1.13 2.90 0.13 -1.97 -1.79 132.00 128.35 2c46 h PRO 33 Ca -0.51 0.00 0.31 0.00 -0.87 0.00 0.00 66.00 64.93 2c46 h PRO 33 Cb 1.32 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.38 2c46 h PRO 33 CO 0.56 0.00 0.76 -0.09 -0.23 0.00 0.00 178.00 179.00 2c46 h ARG 34 N 0.00 0.19 -0.15 0.86 2.43 -1.93 -0.82 114.38 114.96 2c46 h ARG 34 Ca 0.10 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2c46 h ARG 34 Cb 0.69 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 2c46 h ARG 34 CO -0.00 0.13 0.00 0.66 -1.51 0.00 0.00 179.97 179.25 2c46 n TYR 35 N -4.44 0.19 0.07 2.20 4.01 -0.67 -4.51 117.16 114.00 2c46 n TYR 35 Ca 0.26 -0.09 0.14 0.00 -0.16 0.00 0.00 57.90 58.05 2c46 n TYR 35 Cb 1.08 0.00 0.63 0.00 -0.31 0.00 0.00 39.34 40.75 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 2.77 0.08 0.73 7.72 3.32 -1.30 -0.11 116.42 129.63 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 0.60 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.13 2c46 h ASP 36 CO 0.00 0.05 0.00 0.77 -1.72 0.00 0.00 179.24 178.34 2c46 h SER 37 N 0.09 0.00 -0.00 6.45 4.64 -1.82 -2.91 113.55 120.00 2c46 h SER 37 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2c46 h SER 37 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2c46 h SER 37 CO -0.02 0.00 -0.69 0.00 -0.87 0.00 0.00 176.83 175.25 2c46 n GLN 38 N -2.65 1.55 -3.99 4.77 6.02 -0.10 -4.93 117.38 118.05 2c46 n GLN 38 Ca 0.01 -0.18 -0.30 0.00 -0.01 0.00 0.00 57.00 56.52 2c46 n GLN 38 Cb 0.23 -1.29 -0.16 0.00 1.02 0.00 0.00 30.24 30.04 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 -2.44 1.51 0.67 5.09 1.01 -0.90 -5.03 120.40 120.31 2c46 s VAL 39 Ca 0.08 -0.73 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 2c46 s VAL 39 Cb 0.13 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 35.00 2c46 s VAL 39 CO 0.63 0.32 1.27 0.00 0.00 0.00 0.00 175.10 177.32 2c46 n ALA 40 N 4.77 0.94 -0.31 5.51 0.00 -1.26 -4.74 120.51 125.42 2c46 n ALA 40 Ca -0.15 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.32 2c46 n ALA 40 Cb 0.49 -2.31 0.25 0.00 0.00 0.00 0.00 19.45 17.88 2c46 n ALA 40 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2c46 h GLU 41 N 0.30 0.64 0.00 0.00 4.81 -1.99 0.52 114.58 118.86 2c46 h GLU 41 Ca -0.50 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 2c46 h GLU 41 Cb 1.33 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2c46 h GLU 41 CO 0.52 0.42 0.00 1.05 -0.73 0.00 0.00 179.01 180.27 2c46 h GLU 42 N 0.66 0.00 -0.35 1.92 9.09 -2.03 -2.64 114.58 121.22 2c46 h GLU 42 Ca 0.50 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.91 2c46 h GLU 42 Cb 0.73 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.83 2c46 h GLU 42 CO -0.38 0.00 0.00 0.09 0.05 0.00 0.00 179.01 178.77 2c46 n ASN 43 N -2.44 3.00 -4.78 3.06 3.02 0.16 -5.03 115.26 112.25 2c46 n ASN 43 Ca 0.01 -1.90 -0.37 0.00 -0.03 0.00 0.00 54.58 52.29 2c46 n ASN 43 Cb 0.18 -0.23 -0.05 0.00 -0.61 0.00 0.00 39.78 39.07 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 -1.07 4.38 -0.42 3.52 0.52 -1.00 -4.91 118.95 119.98 2c46 s ARG 44 Ca 0.28 1.41 0.07 0.00 -0.52 0.00 0.00 55.73 56.97 2c46 s ARG 44 Cb 0.15 -2.66 0.24 0.00 0.52 0.00 0.00 34.95 33.20 2c46 s ARG 44 CO 0.21 0.08 0.60 0.34 0.02 0.00 0.00 175.30 176.54 2c46 n PHE 45 N 0.22 -1.32 -2.03 -0.53 7.35 -1.26 -5.07 117.46 114.82 2c46 n PHE 45 Ca 0.04 -2.99 -0.33 0.00 -0.76 0.00 0.00 57.45 53.40 2c46 n PHE 45 Cb 0.50 0.27 0.02 0.00 0.35 0.00 0.00 39.48 40.61 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 -0.49 2.84 0.39 -5.13 3.76 -1.23 -1.41 115.29 114.03 2c46 s HIS 46 Ca 0.34 1.53 0.19 0.00 -0.15 0.00 0.00 55.06 56.97 2c46 s HIS 46 Cb 0.16 -3.09 1.11 0.00 1.11 0.00 0.00 32.58 31.87 2c46 s HIS 46 CO -0.15 -1.31 1.75 -1.35 -0.85 0.00 0.00 174.74 172.82 2c46 h PRO 47 N 0.51 0.37 -0.32 8.40 0.11 -1.94 -0.40 132.00 138.73 2c46 h PRO 47 Ca -0.47 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.64 2c46 h PRO 47 Cb 1.23 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2c46 h PRO 47 CO 0.56 0.24 0.21 0.66 -0.21 0.00 0.00 178.00 179.47 2c46 h SER 48 N 0.38 0.26 -0.32 -2.05 4.64 -1.92 -1.64 113.55 112.91 2c46 h SER 48 Ca 0.63 -0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.85 2c46 h SER 48 Cb 1.60 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 63.61 2c46 h SER 48 CO -0.34 0.18 -0.15 -0.03 -0.87 0.00 0.00 176.83 175.62 2c46 h MET 49 N 0.30 0.77 -0.28 4.77 -1.53 -1.43 -1.58 114.93 115.95 2c46 h MET 49 Ca 0.13 -0.27 -0.02 0.00 -3.44 0.00 0.00 59.70 56.10 2c46 h MET 49 Cb 0.14 -0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 31.13 2c46 h MET 49 CO -0.03 0.88 0.11 1.25 0.14 0.00 0.00 176.91 179.26 2c46 h LEU 50 N 0.69 0.39 -0.67 3.39 5.85 -1.34 -2.56 115.31 121.06 2c46 h LEU 50 Ca 0.11 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.71 2c46 h LEU 50 Cb 0.64 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 2c46 h LEU 50 CO 0.04 0.45 0.39 0.28 -0.34 0.00 0.00 178.44 179.27 2c46 h SER 51 N 0.30 0.61 -0.71 1.25 0.02 -1.22 -1.83 113.55 111.98 2c46 h SER 51 Ca 0.09 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 2c46 h SER 51 Cb 0.18 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 2c46 h SER 51 CO -0.01 0.41 0.26 0.78 -1.14 0.00 0.00 176.83 177.13 2c46 h ASN 52 N 0.75 1.01 -0.33 3.07 2.35 -1.17 -1.51 115.58 119.76 2c46 h ASN 52 Ca 0.29 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 2c46 h ASN 52 Cb 0.12 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 2c46 h ASN 52 CO -0.15 0.92 0.16 0.22 -1.65 0.00 0.00 177.43 176.94 2c46 h TYR 53 N 1.06 0.46 -0.54 1.19 3.20 -1.15 0.15 116.97 121.35 2c46 h TYR 53 Ca 0.24 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.09 2c46 h TYR 53 Cb 0.25 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 2c46 h TYR 53 CO 0.02 0.40 0.34 -0.07 -1.64 0.00 0.00 178.16 177.22 2c46 h LEU 54 N 0.39 0.62 -0.28 2.82 3.38 -0.85 0.46 115.31 121.85 2c46 h LEU 54 Ca 0.11 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 2c46 h LEU 54 Cb 0.11 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2c46 h LEU 54 CO -0.02 0.46 -0.26 0.11 0.09 0.00 0.00 178.44 178.83 2c46 h LYS 55 N 0.73 0.68 -0.97 1.13 1.57 -1.17 -2.36 116.57 116.17 2c46 h LYS 55 Ca 0.20 -0.35 0.20 0.00 -1.87 0.00 0.00 60.65 58.82 2c46 h LYS 55 Cb -0.07 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.14 2c46 h LYS 55 CO -0.04 0.96 0.56 1.03 -0.57 0.00 0.00 179.45 181.38 2c46 h SER 56 N 0.42 0.68 1.50 0.86 0.87 0.98 0.19 113.55 119.04 2c46 h SER 56 Ca 0.05 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2c46 h SER 56 Cb 0.82 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 2c46 h SER 56 CO 0.07 0.21 0.00 -0.07 -0.53 0.00 0.00 176.83 176.50 2c46 h LEU 57 N 0.67 0.00 -1.32 2.23 3.38 -0.96 -3.47 115.31 115.84 2c46 h LEU 57 Ca 0.57 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 58.17 2c46 h LEU 57 Cb 0.94 0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.83 2c46 h LEU 57 CO -0.41 0.00 -0.74 2.29 0.09 0.00 0.00 178.44 179.67 2c46 n LYS 58 N -2.92 -7.05 -4.00 1.13 -0.00 0.05 -5.03 118.16 100.33 2c46 n LYS 58 Ca 0.03 0.82 -0.10 0.00 -0.00 0.00 0.00 58.31 59.07 2c46 n LYS 58 Cb 0.42 -5.83 -0.11 0.00 -0.00 0.00 0.00 35.03 29.51 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 -3.36 0.20 -0.06 0.58 1.01 -0.91 -5.06 120.40 112.81 2c46 s VAL 59 Ca 0.26 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 2c46 s VAL 59 Cb -0.11 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 2c46 s VAL 59 CO 0.74 -0.52 0.11 -0.54 0.00 0.00 0.00 175.10 174.89 2c46 s LYS 60 N -1.68 3.25 -0.26 2.72 1.02 -1.26 -4.43 119.74 119.10 2c46 s LYS 60 Ca -0.13 -0.32 -0.10 0.00 0.02 0.00 0.00 55.97 55.44 2c46 s LYS 60 Cb -0.09 -3.01 -0.05 0.00 -0.52 0.00 0.00 37.83 34.17 2c46 s LYS 60 CO -0.01 0.71 0.15 1.41 -0.92 0.00 0.00 175.35 176.69 2c46 s MET 61 N -1.37 3.94 0.09 1.68 -2.45 -1.26 -1.37 119.30 118.56 2c46 s MET 61 Ca 0.19 -0.33 0.06 0.00 -1.25 0.00 0.00 55.69 54.36 2c46 s MET 61 Cb -0.12 -3.54 -0.22 0.00 1.25 0.00 0.00 34.83 32.20 2c46 s MET 61 CO 0.09 -0.08 1.19 0.78 1.05 0.00 0.00 175.02 178.05 2c46 h GLY 62 N 7.97 0.04 -5.26 2.11 0.00 -1.36 -3.41 103.07 103.16 2c46 h GLY 62 Ca -0.37 -0.09 -0.09 0.00 0.00 0.00 0.00 47.33 46.78 2c46 h GLY 62 CO 0.60 0.08 -0.15 -2.27 0.00 0.00 0.00 176.54 174.80 2c46 s LEU 63 N -6.69 -0.08 -0.19 3.11 2.96 -1.24 -1.77 118.68 114.77 2c46 s LEU 63 Ca -0.00 1.04 0.01 0.00 -0.22 0.00 0.00 54.13 54.95 2c46 s LEU 63 Cb 0.09 1.71 0.02 0.00 0.50 0.00 0.00 46.19 48.51 2c46 s LEU 63 CO 0.83 -0.19 -0.17 -0.22 -1.32 0.00 0.00 176.35 175.28 2c46 s LEU 64 N 0.69 2.33 -0.40 -0.68 2.96 0.49 0.23 118.68 124.31 2c46 s LEU 64 Ca -0.03 -0.68 -0.17 0.00 -0.22 0.00 0.00 54.13 53.03 2c46 s LEU 64 Cb -0.05 -1.52 0.01 0.00 0.50 0.00 0.00 46.19 45.14 2c46 s LEU 64 CO -0.05 -0.02 0.43 -0.69 -1.32 0.00 0.00 176.35 174.71 2c46 s VAL 65 N 1.30 5.09 -0.35 1.68 1.01 0.75 -1.32 120.40 128.56 2c46 s VAL 65 Ca 0.04 -0.21 -0.16 0.00 0.00 0.00 0.00 61.98 61.66 2c46 s VAL 65 Cb -0.14 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.24 2c46 s VAL 65 CO -0.11 -0.35 0.38 -0.62 0.00 0.00 0.00 175.10 174.41 2c46 s ASP 66 N 1.80 6.19 0.00 3.32 -1.08 -0.06 -1.01 116.67 125.83 2c46 s ASP 66 Ca 0.13 -0.25 0.23 0.00 -0.52 0.00 0.00 52.55 52.13 2c46 s ASP 66 Cb -0.17 -2.21 0.50 0.00 -1.46 0.00 0.00 42.92 39.59 2c46 s ASP 66 CO 0.13 -0.37 1.44 0.18 0.52 0.00 0.00 175.17 177.06 2c46 n LEU 67 N 5.44 2.89 -4.84 -1.34 4.77 0.10 -0.31 117.00 123.71 2c46 n LEU 67 Ca -0.09 -1.21 -0.30 0.00 -0.03 0.00 0.00 56.01 54.39 2c46 n LEU 67 Cb 0.49 -0.18 0.06 0.00 -2.33 0.00 0.00 43.42 41.46 2c46 n LEU 67 CO 0.41 0.60 0.73 0.42 -1.33 0.00 0.00 177.39 178.22 2c46 s THR 68 N -1.63 3.55 -0.29 -5.08 -4.23 -1.26 -4.57 115.64 102.14 2c46 s THR 68 Ca 0.36 0.50 0.12 0.00 -1.18 0.00 0.00 61.69 61.49 2c46 s THR 68 Cb 0.21 -3.37 0.74 0.00 1.34 0.00 0.00 72.50 71.42 2c46 s THR 68 CO 0.30 -0.66 1.75 0.59 -0.54 0.00 0.00 174.62 176.06 2c46 n ASN 69 N -3.15 4.92 -3.99 3.99 3.02 -1.26 -4.71 115.26 114.08 2c46 n ASN 69 Ca 0.07 -3.16 -0.08 0.00 -0.03 0.00 0.00 54.58 51.38 2c46 n ASN 69 Cb 0.56 -0.71 -0.10 0.00 -0.61 0.00 0.00 39.78 38.92 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 -2.94 0.16 -1.10 3.41 -1.32 -1.26 -5.03 115.64 107.56 2c46 s THR 70 Ca 0.54 -1.33 0.14 0.00 -1.21 0.00 0.00 61.69 59.83 2c46 s THR 70 Cb 0.43 -1.06 0.44 0.00 -1.51 0.00 0.00 72.50 70.80 2c46 s THR 70 CO 0.13 -0.74 1.37 -1.54 -2.21 0.00 0.00 174.62 171.63 2c46 n SER 71 N 0.59 3.40 0.05 8.08 3.41 -1.26 -4.72 113.62 123.18 2c46 n SER 71 Ca -0.18 -2.13 0.13 0.00 -0.26 0.00 0.00 58.87 56.43 2c46 n SER 71 Cb 0.59 -0.35 0.38 0.00 -0.26 0.00 0.00 64.21 64.58 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 0.72 0.17 0.10 4.33 1.85 -1.26 -2.20 116.66 120.37 2c46 n ARG 72 Ca 0.17 0.10 -0.23 0.00 -1.00 0.00 0.00 57.85 56.89 2c46 n ARG 72 Cb 0.55 -1.65 -0.15 0.00 -1.05 0.00 0.00 32.46 30.16 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 0.82 -3.43 2.89 0.04 -1.88 -3.39 116.94 112.00 2c46 h PHE 73 Ca 0.00 -0.58 -0.07 0.00 2.80 0.00 0.00 57.97 60.11 2c46 h PHE 73 Cb 0.64 -0.04 -0.15 0.00 2.20 0.00 0.00 35.95 38.61 2c46 h PHE 73 CO 0.00 1.45 -0.20 1.52 -0.60 0.00 0.00 178.31 180.48 2c46 s TYR 74 N -2.60 -0.10 -0.25 -0.55 1.13 -1.26 -0.26 117.35 113.46 2c46 s TYR 74 Ca -0.11 -0.17 -0.29 0.00 -1.41 0.00 0.00 57.07 55.10 2c46 s TYR 74 Cb 0.03 0.13 -0.00 0.00 -1.10 0.00 0.00 41.96 41.02 2c46 s TYR 74 CO 0.90 -0.59 1.29 0.34 -2.51 0.00 0.00 175.55 174.98 2c46 s ASP 75 N -2.52 6.77 0.47 -0.18 2.15 -1.26 -4.77 116.67 117.33 2c46 s ASP 75 Ca 0.00 1.40 0.22 0.00 0.43 0.00 0.00 52.55 54.60 2c46 s ASP 75 Cb 0.02 -2.54 1.23 0.00 -0.30 0.00 0.00 42.92 41.33 2c46 s ASP 75 CO -0.08 -0.96 1.91 0.08 -0.17 0.00 0.00 175.17 175.94 2c46 h ARG 76 N 8.90 0.23 0.00 4.34 0.11 -2.00 0.59 114.38 126.54 2c46 h ARG 76 Ca -0.26 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 59.80 2c46 h ARG 76 Cb 1.10 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 32.13 2c46 h ARG 76 CO 1.01 0.15 -0.03 -0.97 0.10 0.00 0.00 179.97 180.23 2c46 h ASN 77 N 0.23 0.00 0.33 0.08 -1.24 -1.98 -0.07 115.58 112.93 2c46 h ASN 77 Ca 0.39 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.39 2c46 h ASN 77 Cb 1.18 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.22 2c46 h ASN 77 CO -0.09 0.03 -0.06 0.44 -1.29 0.00 0.00 177.43 176.46 2c46 h ASP 78 N 0.00 0.00 0.01 1.15 3.32 -1.27 0.95 116.42 120.57 2c46 h ASP 78 Ca -0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 2c46 h ASP 78 Cb 0.07 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2c46 h ASP 78 CO 0.00 0.06 -0.92 0.40 -1.72 0.00 0.00 179.24 177.07 2c46 h ILE 79 N 0.00 1.17 -0.41 0.35 1.08 -1.16 -3.40 117.51 115.14 2c46 h ILE 79 Ca -0.00 -2.24 -0.08 0.00 -0.39 0.00 0.00 64.86 62.15 2c46 h ILE 79 Cb 0.24 2.58 -0.02 0.00 -3.07 0.00 0.00 36.82 36.55 2c46 h ILE 79 CO 0.01 0.42 -0.09 -0.33 -0.69 0.00 0.00 178.15 177.47 2c46 h GLU 80 N -0.95 0.71 -0.00 2.37 5.08 -1.10 -1.41 114.58 119.28 2c46 h GLU 80 Ca -0.25 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2c46 h GLU 80 Cb 1.25 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 2c46 h GLU 80 CO -0.14 0.78 0.00 1.57 -1.00 0.00 0.00 179.01 180.23 2c46 h LYS 81 N 0.65 0.00 -0.18 2.33 2.10 -1.03 0.57 116.57 121.01 2c46 h LYS 81 Ca 0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.77 2c46 h LYS 81 Cb 0.53 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 2c46 h LYS 81 CO 0.03 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.87 2c46 n GLU 82 N -3.44 1.58 -0.71 0.07 -0.58 -0.53 -4.90 120.64 112.13 2c46 n GLU 82 Ca -0.03 -0.88 0.00 0.00 -0.42 0.00 0.00 57.16 55.83 2c46 n GLU 82 Cb 0.08 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 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 1.01 0.64 3.66 0.62 0.00 0.19 -5.03 105.19 106.28 2c46 n GLY 83 Ca 0.13 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 5.24 0.19 -0.61 1.01 -1.22 -4.91 121.20 118.89 2c46 s ILE 84 Ca 0.00 0.55 -0.31 0.00 0.00 0.00 0.00 60.65 60.90 2c46 s ILE 84 Cb 0.00 -3.67 -0.09 0.00 0.01 0.00 0.00 42.46 38.71 2c46 s ILE 84 CO 0.00 0.26 1.42 -0.75 0.00 0.00 0.00 174.94 175.87 2c46 s LYS 85 N 1.35 4.30 -0.13 2.79 2.20 -0.73 -3.65 119.74 125.87 2c46 s LYS 85 Ca 0.16 2.20 -0.02 0.00 -0.36 0.00 0.00 55.97 57.94 2c46 s LYS 85 Cb -0.15 -3.17 -0.03 0.00 -1.51 0.00 0.00 37.83 32.98 2c46 s LYS 85 CO 0.07 -0.42 -0.06 -0.47 -0.36 0.00 0.00 175.35 174.12 2c46 s TYR 86 N 0.49 2.98 -0.03 4.03 6.14 -1.26 -0.38 117.35 129.32 2c46 s TYR 86 Ca 0.62 -0.24 -0.01 0.00 0.64 0.00 0.00 57.07 58.08 2c46 s TYR 86 Cb -0.40 -1.87 0.03 0.00 0.42 0.00 0.00 41.96 40.14 2c46 s TYR 86 CO 0.37 0.06 0.07 -1.50 0.64 0.00 0.00 175.55 175.18 2c46 s ILE 87 N 0.01 -0.04 -0.05 3.14 2.07 -0.43 -4.97 121.20 120.92 2c46 s ILE 87 Ca -0.00 0.16 -0.23 0.00 -1.41 0.00 0.00 60.65 59.16 2c46 s ILE 87 Cb -0.13 -0.13 -0.04 0.00 0.13 0.00 0.00 42.46 42.29 2c46 s ILE 87 CO 0.03 0.06 0.70 -0.75 -1.91 0.00 0.00 174.94 173.08 2c46 s LYS 88 N 0.86 4.44 -0.30 3.50 2.20 -1.26 -0.88 119.74 128.30 2c46 s LYS 88 Ca -0.07 0.90 0.01 0.00 -0.36 0.00 0.00 55.97 56.45 2c46 s LYS 88 Cb -0.10 -3.44 0.09 0.00 -1.51 0.00 0.00 37.83 32.88 2c46 s LYS 88 CO -0.03 0.09 0.04 -1.17 -0.36 0.00 0.00 175.35 173.92 2c46 s LEU 89 N 0.70 3.20 -0.28 5.43 2.96 0.58 -4.94 118.68 126.34 2c46 s LEU 89 Ca 0.38 -1.70 -0.23 0.00 -0.22 0.00 0.00 54.13 52.36 2c46 s LEU 89 Cb -0.18 -1.21 -0.01 0.00 0.50 0.00 0.00 46.19 45.30 2c46 s LEU 89 CO 0.19 -0.36 0.75 -1.10 -1.32 0.00 0.00 176.35 174.51 2c46 s GLN 90 N 1.31 4.05 0.45 1.98 -0.21 -1.26 -4.09 119.66 121.90 2c46 s GLN 90 Ca 0.06 0.65 0.00 0.00 0.02 0.00 0.00 55.36 56.10 2c46 s GLN 90 Cb -0.18 -3.69 -0.00 0.00 1.00 0.00 0.00 33.01 30.14 2c46 s GLN 90 CO -0.14 -0.57 0.67 0.00 -2.12 0.00 0.00 175.29 173.13 2c46 n LYS 92 N -2.08 1.73 0.00 0.00 4.76 -1.26 -5.00 118.16 116.31 2c46 n LYS 92 Ca 0.01 0.61 0.00 0.00 -2.87 0.00 0.00 58.31 56.07 2c46 n LYS 92 Cb 0.58 -2.15 0.00 0.00 -1.84 0.00 0.00 35.03 31.62 2c46 n LYS 92 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2c46 n GLY 93 N 1.57 1.52 3.67 0.72 0.00 -1.26 -4.44 105.19 106.98 2c46 n GLY 93 Ca 0.10 -1.89 -0.25 0.00 0.00 0.00 0.00 46.02 43.98 2c46 n GLY 93 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2c46 n HIS 94 N 0.00 -2.63 -0.77 1.61 -0.00 -1.26 -2.06 115.22 110.11 2c46 n HIS 94 Ca 0.00 0.98 0.00 0.00 -0.00 0.00 0.00 57.72 58.70 2c46 n HIS 94 Cb 0.00 -4.76 0.00 0.00 -0.00 0.00 0.00 29.99 25.23 2c46 n HIS 94 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2c46 n GLY 95 N -1.82 0.77 3.77 -1.39 0.00 -1.26 -4.99 105.19 100.26 2c46 n GLY 95 Ca -0.03 0.00 -0.38 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 -0.31 3.88 0.49 1.61 2.02 -0.88 -5.00 118.70 120.51 2c46 s GLU 96 Ca 0.00 1.80 -0.24 0.00 0.02 0.00 0.00 54.97 56.55 2c46 s GLU 96 Cb 0.00 -2.52 -0.07 0.00 0.10 0.00 0.00 34.13 31.64 2c46 s GLU 96 CO 0.00 -0.45 1.41 0.00 0.02 0.00 0.00 175.26 176.24 2c46 n PRO 98 N -0.49 1.43 -1.59 0.00 -0.02 -1.26 -4.79 135.00 128.29 2c46 n PRO 98 Ca 0.07 0.51 -0.29 0.00 -2.02 0.00 0.00 63.50 61.76 2c46 n PRO 98 Cb 0.42 -2.04 0.17 0.00 -0.02 0.00 0.00 33.50 32.04 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 -0.26 1.90 0.35 3.45 -4.23 -1.26 -4.80 115.64 110.78 2c46 s THR 99 Ca 0.70 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 61.25 2c46 s THR 99 Cb -0.78 -2.79 0.18 0.00 1.34 0.00 0.00 72.50 70.46 2c46 s THR 99 CO 0.52 0.00 1.91 0.71 -0.54 0.00 0.00 174.62 177.23 2c46 h THR 100 N -1.77 1.18 0.15 3.99 1.35 -1.99 -0.80 112.91 115.02 2c46 h THR 100 Ca -0.47 -0.66 -0.01 0.00 -0.55 0.00 0.00 66.41 64.73 2c46 h THR 100 Cb 1.29 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 2c46 h THR 100 CO 0.47 0.24 -0.07 -0.33 -0.25 0.00 0.00 175.52 175.58 2c46 h GLU 101 N 0.54 -0.19 -0.62 4.72 3.07 -1.99 -1.99 114.58 118.12 2c46 h GLU 101 Ca 0.13 0.01 0.11 0.00 -0.50 0.00 0.00 59.36 59.11 2c46 h GLU 101 Cb 0.24 0.04 -0.09 0.00 -0.84 0.00 0.00 28.75 28.11 2c46 h GLU 101 CO -0.00 0.07 0.16 -0.91 -1.40 0.00 0.00 179.01 176.93 2c46 h ASN 102 N -0.45 0.07 -0.03 1.42 -0.26 -1.83 -0.70 115.58 113.80 2c46 h ASN 102 Ca -0.02 0.11 -0.00 0.00 -0.56 0.00 0.00 56.30 55.83 2c46 h ASN 102 Cb 0.35 0.13 -0.00 0.00 -1.06 0.00 0.00 38.32 37.74 2c46 h ASN 102 CO 0.03 0.04 0.01 0.74 -1.06 0.00 0.00 177.43 177.20 2c46 h THR 103 N 0.30 1.11 -0.67 2.81 2.02 -1.13 -1.10 112.91 116.24 2c46 h THR 103 Ca 0.33 -0.31 0.06 0.00 0.77 0.00 0.00 66.41 67.26 2c46 h THR 103 Cb 0.48 1.26 -0.06 0.00 -1.74 0.00 0.00 68.15 68.09 2c46 h THR 103 CO -0.39 0.08 0.37 -0.08 0.37 0.00 0.00 175.52 175.88 2c46 h GLU 104 N -0.08 0.67 -0.02 6.66 4.57 -0.99 -0.21 114.58 125.19 2c46 h GLU 104 Ca 0.01 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2c46 h GLU 104 Cb 0.12 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.56 2c46 h GLU 104 CO -0.00 0.44 0.00 1.15 -1.18 0.00 0.00 179.01 179.42 2c46 h THR 105 N 0.69 0.99 0.13 0.32 2.02 -0.86 -1.17 112.91 115.03 2c46 h THR 105 Ca 0.30 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.48 2c46 h THR 105 Cb 0.20 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 2c46 h THR 105 CO -0.19 0.00 -0.11 0.15 0.37 0.00 0.00 175.52 175.74 2c46 h PHE 106 N 0.01 -0.30 -0.44 3.16 3.57 -1.00 -1.57 116.94 120.37 2c46 h PHE 106 Ca 0.01 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 2c46 h PHE 106 Cb 0.01 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 2c46 h PHE 106 CO -0.09 -0.18 0.16 0.82 -2.23 0.00 0.00 178.31 176.79 2c46 h ILE 107 N -0.26 0.86 -0.44 1.41 2.04 -0.91 -1.68 117.51 118.53 2c46 h ILE 107 Ca -0.00 -0.11 -0.09 0.00 1.00 0.00 0.00 64.86 65.66 2c46 h ILE 107 Cb 0.24 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 2c46 h ILE 107 CO -0.02 0.06 -0.08 0.03 0.00 0.00 0.00 178.15 178.14 2c46 h ARG 108 N 0.33 0.76 -0.30 2.37 2.47 -1.06 -1.27 114.38 117.68 2c46 h ARG 108 Ca 0.21 -0.24 0.01 0.00 -1.26 0.00 0.00 59.98 58.70 2c46 h ARG 108 Cb 0.20 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.43 2c46 h ARG 108 CO -0.21 0.82 0.19 1.25 0.56 0.00 0.00 179.97 182.59 2c46 h LEU 109 N 0.70 0.33 -0.06 3.04 5.85 -0.94 -3.23 115.31 121.00 2c46 h LEU 109 Ca 0.12 -0.01 -0.19 0.00 0.84 0.00 0.00 57.88 58.65 2c46 h LEU 109 Cb 0.54 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 2c46 h LEU 109 CO 0.03 0.24 -0.89 0.00 -0.34 0.00 0.00 178.44 177.48 2c46 h GLU 111 N 0.00 0.00 0.00 0.00 4.11 -1.25 0.42 114.58 117.87 2c46 h GLU 111 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2c46 h GLU 111 Cb 1.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.90 2c46 h GLU 111 CO 0.12 0.11 0.00 0.00 0.07 0.00 0.00 179.01 179.31 2c46 h ARG 112 N 0.00 0.00 -1.05 1.06 2.47 -1.65 -2.28 114.38 112.94 2c46 h ARG 112 Ca -0.00 0.00 -0.64 0.00 -1.26 0.00 0.00 59.98 58.08 2c46 h ARG 112 Cb 0.36 0.00 -0.35 0.00 -1.65 0.00 0.00 29.97 28.33 2c46 h ARG 112 CO 0.01 0.00 0.18 1.19 0.56 0.00 0.00 179.97 181.92 2c46 n PHE 113 N -2.43 3.05 0.00 3.04 3.01 0.15 -1.66 117.46 122.62 2c46 n PHE 113 Ca -0.01 -2.69 0.00 0.00 1.01 0.00 0.00 57.45 55.77 2c46 n PHE 113 Cb 0.10 -0.94 0.00 0.00 -0.01 0.00 0.00 39.48 38.63 2c46 n PHE 113 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2c46 n ASN 114 N -0.78 3.30 -0.04 4.37 4.13 -1.06 -4.87 115.26 120.31 2c46 n ASN 114 Ca 0.54 0.00 -0.15 0.00 1.68 0.00 0.00 54.58 56.65 2c46 n ASN 114 Cb 0.73 0.37 -0.13 0.00 -1.54 0.00 0.00 39.78 39.21 2c46 n ASN 114 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 2c46 h GLU 115 N 0.00 0.08 -0.02 3.52 4.81 -1.29 -3.28 114.58 118.40 2c46 h GLU 115 Ca 0.00 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2c46 h GLU 115 Cb 0.57 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.99 2c46 h GLU 115 CO 0.00 0.98 -0.10 0.54 -0.73 0.00 0.00 179.01 179.71 2c46 n ARG 116 N -4.53 1.41 0.00 1.92 1.74 -0.66 -5.05 116.66 111.48 2c46 n ARG 116 Ca -0.10 -1.27 0.00 0.00 -0.77 0.00 0.00 57.85 55.70 2c46 n ARG 116 Cb 0.52 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.66 2c46 n ARG 116 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2c46 n ASN 117 N 0.61 0.00 0.00 0.55 4.13 -1.13 -5.02 115.26 114.39 2c46 n ASN 117 Ca 0.09 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.35 2c46 n ASN 117 Cb 0.39 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.63 2c46 n ASN 117 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2c46 n GLU 120 N 0.00 0.00 -2.81 3.52 1.02 -1.26 -4.33 120.64 116.78 2c46 n GLU 120 Ca 0.00 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.79 2c46 n GLU 120 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 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 0.00 4.12 -0.31 -4.62 1.43 -0.47 -4.75 118.68 114.08 2c46 s LEU 121 Ca 0.00 1.74 -0.08 0.00 -1.03 0.00 0.00 54.13 54.76 2c46 s LEU 121 Cb 0.00 -4.29 0.01 0.00 0.03 0.00 0.00 46.19 41.94 2c46 s LEU 121 CO 0.00 -0.22 0.11 -0.63 0.23 0.00 0.00 176.35 175.84 2c46 s ILE 122 N -1.92 4.18 0.33 -0.59 1.01 -0.07 -0.99 121.20 123.15 2c46 s ILE 122 Ca 0.56 -0.66 -0.27 0.00 0.00 0.00 0.00 60.65 60.28 2c46 s ILE 122 Cb -0.13 -3.18 -0.09 0.00 0.01 0.00 0.00 42.46 39.06 2c46 s ILE 122 CO 0.18 0.03 1.11 -0.83 0.00 0.00 0.00 174.94 175.42 2c46 s GLY 123 N 1.53 2.95 -0.04 6.18 0.00 0.14 -1.14 107.32 116.93 2c46 s GLY 123 Ca 0.03 0.87 -0.00 0.00 0.00 0.00 0.00 44.72 45.61 2c46 s GLY 123 CO 0.04 1.42 0.01 0.14 0.00 0.00 0.00 173.10 174.71 2c46 s VAL 124 N -1.33 0.19 0.01 1.40 1.01 -0.34 -0.18 120.40 121.16 2c46 s VAL 124 Ca 0.50 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.64 2c46 s VAL 124 Cb -0.29 -0.33 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 2c46 s VAL 124 CO 0.38 0.19 -0.02 -1.38 0.00 0.00 0.00 175.10 174.26 2c46 s HIS 125 N 1.49 0.21 0.00 5.22 -3.43 -0.18 -1.67 115.29 116.93 2c46 s HIS 125 Ca -0.03 -0.16 0.00 0.00 -0.80 0.00 0.00 55.06 54.07 2c46 s HIS 125 Cb -0.13 -0.13 0.00 0.00 -1.43 0.00 0.00 32.58 30.89 2c46 s HIS 125 CO -0.03 -0.04 0.00 0.00 -2.00 0.00 0.00 174.74 172.67 2c46 h THR 127 N 0.00 1.36 0.00 0.00 2.02 -1.90 -2.67 112.91 111.72 2c46 h THR 127 Ca 0.00 -1.52 0.00 0.00 0.77 0.00 0.00 66.41 65.66 2c46 h THR 127 Cb 0.00 1.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 2c46 h THR 127 CO 0.00 0.45 -0.95 1.41 0.37 0.00 0.00 175.52 176.80 2c46 n HIS 128 N -4.42 0.00 -1.41 3.16 8.25 -1.26 -1.56 115.22 117.98 2c46 n HIS 128 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2c46 n HIS 128 Cb 0.45 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.45 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 1.57 0.50 0.90 -1.41 0.00 -1.23 -3.80 105.19 101.72 2c46 n GLY 129 Ca 0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.35 0.00 0.00 1.61 3.72 -1.26 -4.58 117.46 113.61 2c46 n PHE 130 Ca 0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2c46 n PHE 130 Cb 0.26 -0.08 -0.00 0.00 -0.94 0.00 0.00 39.48 38.72 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 -0.15 -0.01 -0.71 4.37 2.35 -1.94 -1.38 115.58 118.11 2c46 h ASN 131 Ca -0.01 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2c46 h ASN 131 Cb 0.20 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 2c46 h ASN 131 CO -0.00 0.04 0.47 0.03 -1.65 0.00 0.00 177.43 176.32 2c46 h ARG 132 N -0.12 0.93 -0.27 0.81 3.08 -1.99 -0.47 114.38 116.35 2c46 h ARG 132 Ca -0.00 -0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.05 2c46 h ARG 132 Cb 0.01 -0.21 -0.05 0.00 0.08 0.00 0.00 29.97 29.80 2c46 h ARG 132 CO 0.00 0.62 -0.08 1.15 -1.07 0.00 0.00 179.97 180.60 2c46 h THR 133 N 0.96 0.71 -0.22 2.04 2.02 -1.88 -1.78 112.91 114.75 2c46 h THR 133 Ca 0.26 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.38 2c46 h THR 133 Cb -0.11 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 2c46 h THR 133 CO -0.06 0.00 -0.07 1.23 0.37 0.00 0.00 175.52 176.99 2c46 h GLY 134 N -0.01 0.48 0.34 2.16 0.00 -1.14 -2.00 103.07 102.90 2c46 h GLY 134 Ca 0.13 -0.41 0.05 0.00 0.00 0.00 0.00 47.33 47.10 2c46 h GLY 134 CO -0.29 0.38 -0.17 -2.75 0.00 0.00 0.00 176.54 173.71 2c46 h PHE 135 N 0.17 -0.43 -0.47 5.60 3.04 -0.95 -1.22 116.94 122.68 2c46 h PHE 135 Ca 0.05 0.03 -0.12 0.00 3.98 0.00 0.00 57.97 61.91 2c46 h PHE 135 Cb 0.55 0.22 -0.01 0.00 2.56 0.00 0.00 35.95 39.26 2c46 h PHE 135 CO 0.06 -0.24 -0.20 -0.07 -2.02 0.00 0.00 178.31 175.83 2c46 h LEU 136 N -0.18 0.96 -0.55 0.59 3.38 -1.27 -1.60 115.31 116.63 2c46 h LEU 136 Ca 0.12 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.75 2c46 h LEU 136 Cb 0.36 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2c46 h LEU 136 CO -0.31 1.13 0.36 0.40 0.09 0.00 0.00 178.44 180.11 2c46 h ILE 137 N 0.82 1.13 -0.56 1.22 2.04 -1.21 -1.73 117.51 119.21 2c46 h ILE 137 Ca 0.11 -0.25 -0.11 0.00 1.00 0.00 0.00 64.86 65.62 2c46 h ILE 137 Cb 0.76 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 2c46 h ILE 137 CO 0.06 0.13 -0.06 0.00 0.00 0.00 0.00 178.15 178.29 2c46 h ALA 139 N 0.95 1.02 -0.04 0.00 0.00 -1.12 -1.35 119.26 118.73 2c46 h ALA 139 Ca 0.15 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2c46 h ALA 139 Cb 0.62 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2c46 h ALA 139 CO 0.04 0.49 0.02 0.35 0.00 0.00 0.00 179.25 180.15 2c46 h PHE 140 N 1.10 0.05 -0.72 0.00 3.04 -1.02 0.15 116.94 119.54 2c46 h PHE 140 Ca 0.29 -0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.33 2c46 h PHE 140 Cb -0.03 -0.02 -0.07 0.00 2.56 0.00 0.00 35.95 38.39 2c46 h PHE 140 CO -0.00 0.12 0.37 -0.07 -2.02 0.00 0.00 178.31 176.71 2c46 h LEU 141 N -0.04 0.49 0.20 0.59 3.38 -0.99 0.66 115.31 119.61 2c46 h LEU 141 Ca 0.01 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2c46 h LEU 141 Cb 0.09 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2c46 h LEU 141 CO -0.00 0.28 -0.10 0.58 0.09 0.00 0.00 178.44 179.29 2c46 h VAL 142 N 0.63 0.73 -0.40 1.22 2.07 -1.06 -1.82 116.25 117.62 2c46 h VAL 142 Ca 0.36 -1.03 -0.14 0.00 0.82 0.00 0.00 66.70 66.71 2c46 h VAL 142 Cb 0.37 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2c46 h VAL 142 CO -0.27 0.18 -0.32 -0.33 0.02 0.00 0.00 177.57 176.86 2c46 h GLU 143 N -0.88 0.90 0.00 1.57 5.08 -0.57 -2.08 114.58 118.60 2c46 h GLU 143 Ca -0.03 -0.43 -0.38 0.00 -1.00 0.00 0.00 59.36 57.52 2c46 h GLU 143 Cb 0.51 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.68 2c46 h GLU 143 CO 0.04 1.08 -2.43 1.17 -1.00 0.00 0.00 179.01 177.88 2c46 n LYS 144 N -4.07 0.67 -0.05 2.33 3.00 0.21 -4.52 118.16 115.73 2c46 n LYS 144 Ca -0.01 0.08 0.09 0.00 -0.00 0.00 0.00 58.31 58.47 2c46 n LYS 144 Cb 0.51 -1.52 0.11 0.00 0.00 0.00 0.00 35.03 34.12 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 -3.04 1.77 -2.69 1.64 2.81 -0.75 -4.99 117.12 111.88 2c46 n MET 145 Ca -0.40 -1.74 -0.20 0.00 -1.81 0.00 0.00 57.70 53.55 2c46 n MET 145 Cb 1.06 -1.37 0.01 0.00 -0.71 0.00 0.00 33.22 32.21 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 1.07 -5.55 -4.79 7.83 2.03 -0.78 -4.93 116.55 111.43 2c46 n ASP 146 Ca 0.12 -0.11 -0.33 0.00 0.52 0.00 0.00 54.79 54.99 2c46 n ASP 146 Cb 0.48 -4.58 0.02 0.00 -0.72 0.00 0.00 41.12 36.32 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 -3.02 2.81 0.53 -0.67 0.52 -0.91 -4.98 118.94 113.22 2c46 s TRP 147 Ca 0.13 1.54 -0.20 0.00 0.02 0.00 0.00 56.10 57.59 2c46 s TRP 147 Cb -0.06 -3.12 -0.06 0.00 -1.15 0.00 0.00 33.47 29.08 2c46 s TRP 147 CO 0.16 -1.37 1.16 -1.54 0.02 0.00 0.00 176.95 175.39 2c46 s SER 148 N -2.47 5.70 0.33 2.95 1.04 -1.26 -4.40 113.70 115.58 2c46 s SER 148 Ca 0.67 2.27 0.05 0.00 0.48 0.00 0.00 55.95 59.42 2c46 s SER 148 Cb -0.19 -2.59 0.58 0.00 0.10 0.00 0.00 66.02 63.92 2c46 s SER 148 CO 0.35 -1.24 1.83 -0.29 0.98 0.00 0.00 173.24 174.87 2c46 h ILE 149 N 1.30 1.22 -0.52 -1.02 6.09 -1.95 -1.19 117.51 121.44 2c46 h ILE 149 Ca -0.50 -0.98 0.06 0.00 -1.37 0.00 0.00 64.86 62.07 2c46 h ILE 149 Cb 1.27 1.19 -0.05 0.00 0.47 0.00 0.00 36.82 39.69 2c46 h ILE 149 CO 0.57 0.32 0.24 -0.33 -3.07 0.00 0.00 178.15 175.87 2c46 h GLU 150 N 0.39 0.44 -0.28 2.19 3.07 -1.93 -1.37 114.58 117.09 2c46 h GLU 150 Ca 0.07 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 58.80 2c46 h GLU 150 Cb 0.48 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 2c46 h GLU 150 CO 0.03 0.29 -0.23 0.00 -1.40 0.00 0.00 179.01 177.70 2c46 h ALA 151 N 1.31 0.40 -0.25 3.43 0.00 -1.81 -2.16 119.26 120.18 2c46 h ALA 151 Ca 0.24 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.79 2c46 h ALA 151 Cb 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2c46 h ALA 151 CO -0.20 0.37 0.11 0.00 0.00 0.00 0.00 179.25 179.54 2c46 h ALA 152 N 0.71 0.29 -0.36 0.00 0.00 -1.07 -0.08 119.26 118.75 2c46 h ALA 152 Ca 0.05 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2c46 h ALA 152 Cb 0.79 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2c46 h ALA 152 CO 0.06 -0.29 -0.11 0.28 0.00 0.00 0.00 179.25 179.19 2c46 h VAL 153 N 0.24 1.28 -0.74 0.00 2.07 -1.24 -1.82 116.25 116.04 2c46 h VAL 153 Ca 0.10 -1.19 -0.05 0.00 0.82 0.00 0.00 66.70 66.38 2c46 h VAL 153 Cb 0.04 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 2c46 h VAL 153 CO -0.08 0.39 0.25 0.00 0.02 0.00 0.00 177.57 178.15 2c46 h ALA 154 N 0.81 1.05 -0.57 1.67 0.00 -1.35 -1.18 119.26 119.69 2c46 h ALA 154 Ca 0.09 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2c46 h ALA 154 Cb 0.63 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2c46 h ALA 154 CO 0.04 0.65 0.16 1.15 0.00 0.00 0.00 179.25 181.25 2c46 h THR 155 N 1.09 1.24 -0.43 0.00 2.02 -0.65 -1.34 112.91 114.83 2c46 h THR 155 Ca 0.24 -0.86 -0.06 0.00 0.77 0.00 0.00 66.41 66.50 2c46 h THR 155 Cb 0.27 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 2c46 h THR 155 CO -0.01 0.32 0.02 0.15 0.37 0.00 0.00 175.52 176.37 2c46 h PHE 156 N 0.82 0.82 -0.72 3.16 3.57 -1.17 -1.32 116.94 122.10 2c46 h PHE 156 Ca 0.18 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 2c46 h PHE 156 Cb 0.32 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 2c46 h PHE 156 CO 0.02 0.80 0.42 0.00 -2.23 0.00 0.00 178.31 177.32 2c46 h ALA 157 N 0.91 1.38 -0.09 2.41 0.00 -0.96 0.52 119.26 123.43 2c46 h ALA 157 Ca 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2c46 h ALA 157 Cb 0.46 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2c46 h ALA 157 CO 0.02 0.52 0.00 0.37 0.00 0.00 0.00 179.25 180.16 2c46 h GLN 158 N 0.99 0.16 -0.12 0.00 5.75 -1.06 -2.78 115.11 118.05 2c46 h GLN 158 Ca 0.26 -0.05 -0.10 0.00 -0.15 0.00 0.00 58.65 58.60 2c46 h GLN 158 Cb -0.01 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 2c46 h GLN 158 CO -0.05 0.42 -0.38 0.00 -2.65 0.00 0.00 178.83 176.17 2c46 h ALA 159 N 0.74 1.13 -1.85 3.38 0.00 -1.01 -3.38 119.26 118.27 2c46 h ALA 159 Ca 0.03 -0.39 -0.52 0.00 0.00 0.00 0.00 54.91 54.02 2c46 h ALA 159 Cb 0.34 -0.09 -0.37 0.00 0.00 0.00 0.00 17.79 17.67 2c46 h ALA 159 CO 0.00 0.57 -1.07 -2.13 0.00 0.00 0.00 179.25 176.62 2c46 n ARG 160 N -4.05 0.75 -1.97 0.00 3.00 0.15 -1.50 116.66 113.04 2c46 n ARG 160 Ca -0.01 -3.13 -0.41 0.00 -0.00 0.00 0.00 57.85 54.30 2c46 n ARG 160 Cb 0.46 -1.28 -0.02 0.00 0.00 0.00 0.00 32.46 31.62 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 -1.18 4.24 -0.08 -0.14 0.04 -1.05 0.20 135.00 137.03 2c46 s PRO 161 Ca 0.35 2.37 0.10 0.00 0.04 0.00 0.00 61.00 63.86 2c46 s PRO 161 Cb 0.20 -3.05 0.43 0.00 0.04 0.00 0.00 34.50 32.11 2c46 s PRO 161 CO -0.12 -0.39 1.25 -0.35 0.04 0.00 0.00 177.00 177.44 2c46 n PRO 162 N 1.36 2.73 0.00 0.56 -0.04 -1.26 -5.09 135.00 133.26 2c46 n PRO 162 Ca 0.03 -1.69 0.00 0.00 -0.04 0.00 0.00 63.50 61.80 2c46 n PRO 162 Cb 0.40 -1.69 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 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 0.69 -1.43 3.68 0.55 0.00 0.13 -4.62 105.19 104.19 2c46 n GLY 163 Ca 0.15 -1.44 -0.45 0.00 0.00 0.00 0.00 46.02 44.29 2c46 n GLY 163 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2c46 n ILE 164 N 0.00 0.43 0.14 -0.61 5.41 -1.26 -4.80 119.36 118.67 2c46 n ILE 164 Ca 0.00 -0.08 0.02 0.00 1.00 0.00 0.00 62.75 63.69 2c46 n ILE 164 Cb 0.00 -1.96 0.01 0.00 -0.71 0.00 0.00 39.64 36.98 2c46 n ILE 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2c46 n TYR 165 N 5.84 0.00 -2.99 1.39 0.18 -1.26 -4.69 117.16 115.64 2c46 n TYR 165 Ca 0.20 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.56 2c46 n TYR 165 Cb 0.34 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.25 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 -0.34 4.14 0.35 -3.48 1.02 -1.26 -4.49 119.74 115.67 2c46 s LYS 166 Ca 0.04 0.75 0.02 0.00 0.02 0.00 0.00 55.97 56.80 2c46 s LYS 166 Cb 0.03 -3.65 0.63 0.00 -0.52 0.00 0.00 37.83 34.31 2c46 s LYS 166 CO 0.05 -0.49 2.01 0.78 -0.92 0.00 0.00 175.35 176.78 2c46 h GLY 167 N 9.10 0.91 1.68 -3.33 0.00 -1.95 -1.98 103.07 107.50 2c46 h GLY 167 Ca -0.25 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 46.67 2c46 h GLY 167 CO 0.83 0.33 -0.21 1.29 0.00 0.00 0.00 176.54 178.78 2c46 h ASP 168 N 0.88 0.37 -0.09 0.19 2.03 -1.98 -1.32 116.42 116.50 2c46 h ASP 168 Ca 0.24 -0.11 -0.01 0.00 -0.73 0.00 0.00 57.03 56.42 2c46 h ASP 168 Cb -0.09 -0.10 -0.00 0.00 -0.83 0.00 0.00 39.33 38.30 2c46 h ASP 168 CO -0.05 0.60 0.03 1.88 -1.03 0.00 0.00 179.24 180.66 2c46 h TYR 169 N 0.35 0.14 -0.19 4.15 -1.99 -1.77 -0.91 116.97 116.74 2c46 h TYR 169 Ca 0.06 -0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.81 2c46 h TYR 169 Cb 0.57 -0.04 -0.04 0.00 2.00 0.00 0.00 36.73 39.22 2c46 h TYR 169 CO 0.01 0.30 -0.05 -0.07 -0.00 0.00 0.00 178.16 178.35 2c46 h LEU 170 N -0.05 -0.20 -0.54 3.88 3.38 -1.40 -1.65 115.31 118.72 2c46 h LEU 170 Ca 0.03 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.14 2c46 h LEU 170 Cb 0.23 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 2c46 h LEU 170 CO -0.00 -0.07 0.18 0.11 0.09 0.00 0.00 178.44 178.75 2c46 h LYS 171 N -0.01 0.35 -0.32 1.13 6.56 -1.21 -2.31 116.57 120.76 2c46 h LYS 171 Ca 0.09 -0.02 -0.11 0.00 -1.06 0.00 0.00 60.65 59.55 2c46 h LYS 171 Cb 0.15 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 31.72 2c46 h LYS 171 CO -0.21 0.23 -0.26 1.49 -2.06 0.00 0.00 179.45 178.65 2c46 h GLU 172 N 0.36 0.64 -0.80 3.15 4.57 -0.91 -0.13 114.58 121.47 2c46 h GLU 172 Ca 0.27 -0.26 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 2c46 h GLU 172 Cb 0.31 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.84 2c46 h GLU 172 CO -0.28 0.84 0.34 -0.07 -1.18 0.00 0.00 179.01 178.66 2c46 h LEU 173 N 0.56 1.07 -0.59 1.64 3.38 -1.06 -1.75 115.31 118.57 2c46 h LEU 173 Ca 0.08 -0.15 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 2c46 h LEU 173 Cb 0.73 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2c46 h LEU 173 CO 0.06 0.93 -0.54 -0.26 0.09 0.00 0.00 178.44 178.71 2c46 h PHE 174 N 1.15 0.57 -0.41 1.13 -1.00 -1.03 -1.20 116.94 116.15 2c46 h PHE 174 Ca 0.27 -0.20 0.01 0.00 2.81 0.00 0.00 57.97 60.86 2c46 h PHE 174 Cb 0.17 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 39.60 2c46 h PHE 174 CO 0.02 0.90 0.25 -0.09 -1.61 0.00 0.00 178.31 177.78 2c46 h ARG 175 N 0.35 0.50 -0.14 1.51 2.43 -0.79 0.20 114.38 118.45 2c46 h ARG 175 Ca 0.01 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 58.99 2c46 h ARG 175 Cb 1.07 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 30.51 2c46 h ARG 175 CO 0.10 0.33 -0.51 0.00 -1.51 0.00 0.00 179.97 178.38 2c46 h ARG 176 N 0.52 0.59 -0.00 0.20 3.08 -1.21 -3.39 114.38 114.16 2c46 h ARG 176 Ca 0.16 -0.45 0.00 0.00 0.07 0.00 0.00 59.98 59.76 2c46 h ARG 176 Cb -0.02 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2c46 h ARG 176 CO -0.06 1.07 -0.03 0.66 -1.07 0.00 0.00 179.97 180.54 2c46 n TYR 177 N -4.20 0.00 0.00 3.04 4.01 -0.46 -5.05 117.16 114.51 2c46 n TYR 177 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 2c46 n TYR 177 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 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 0.40 4.20 3.26 2.72 0.00 0.70 -4.53 105.19 111.93 2c46 n GLY 178 Ca 0.02 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 2c46 n GLY 178 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2c46 s ASP 179 N 1.56 3.67 0.46 1.61 -1.08 -1.11 -4.67 116.67 117.12 2c46 s ASP 179 Ca 0.00 -0.47 0.13 0.00 -0.52 0.00 0.00 52.55 51.69 2c46 s ASP 179 Cb 0.00 -1.57 1.08 0.00 -1.46 0.00 0.00 42.92 40.97 2c46 s ASP 179 CO 0.00 0.08 2.07 -0.29 0.52 0.00 0.00 175.17 177.55 2c46 h ILE 180 N 5.68 1.00 0.00 4.11 2.10 -1.88 -0.61 117.51 127.90 2c46 h ILE 180 Ca -0.34 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 65.50 2c46 h ILE 180 Cb 1.19 0.68 0.00 0.00 -1.09 0.00 0.00 36.82 37.60 2c46 h ILE 180 CO 0.57 0.05 0.00 -0.62 -1.08 0.00 0.00 178.15 177.08 2c46 n GLU 181 N -4.49 0.16 0.00 2.19 1.02 -1.26 -2.11 120.64 116.15 2c46 n GLU 181 Ca 0.03 0.42 0.13 0.00 -0.02 0.00 0.00 57.16 57.71 2c46 n GLU 181 Cb 0.18 -1.82 0.33 0.00 -0.02 0.00 0.00 31.44 30.10 2c46 n GLU 181 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2c46 n GLU 182 N -2.13 0.82 -1.72 3.49 -0.58 -0.24 -4.96 120.64 115.32 2c46 n GLU 182 Ca 0.02 -0.51 -0.42 0.00 -0.42 0.00 0.00 57.16 55.82 2c46 n GLU 182 Cb 0.20 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.56 2c46 n GLU 182 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2c46 n ALA 183 N -0.64 2.44 -1.69 0.62 0.00 -0.90 -4.95 120.51 115.39 2c46 n ALA 183 Ca 0.11 0.39 -0.33 0.00 0.00 0.00 0.00 53.44 53.61 2c46 n ALA 183 Cb 0.36 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.35 2c46 n ALA 183 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2c46 s PRO 184 N 0.18 3.36 0.87 0.00 0.02 -1.26 -5.00 135.00 133.17 2c46 s PRO 184 Ca 0.69 1.30 -0.11 0.00 0.02 0.00 0.00 61.00 62.90 2c46 s PRO 184 Cb -0.53 -2.03 0.11 0.00 0.02 0.00 0.00 34.50 32.07 2c46 s PRO 184 CO 0.42 -0.79 1.09 -1.25 -0.33 0.00 0.00 177.00 176.15 2c46 s PRO 185 N -3.81 1.48 0.37 5.54 0.04 -1.26 -4.79 135.00 132.56 2c46 s PRO 185 Ca 0.66 0.90 -0.28 0.00 0.04 0.00 0.00 61.00 62.32 2c46 s PRO 185 Cb -0.17 -1.83 -0.11 0.00 0.04 0.00 0.00 34.50 32.43 2c46 s PRO 185 CO 0.33 -2.11 1.46 -2.14 0.04 0.00 0.00 177.00 174.58 2c46 s PRO 186 N -4.93 4.14 1.15 0.56 0.02 -1.26 -5.00 135.00 129.68 2c46 s PRO 186 Ca 0.63 2.52 -0.16 0.00 0.02 0.00 0.00 61.00 64.01 2c46 s PRO 186 Cb -0.18 -2.98 0.26 0.00 0.02 0.00 0.00 34.50 31.62 2c46 s PRO 186 CO 0.57 -0.48 1.06 -1.25 -0.33 0.00 0.00 177.00 176.57 2c46 s PRO 187 N -2.05 -0.76 0.38 5.54 0.04 -1.26 -4.97 135.00 131.92 2c46 s PRO 187 Ca 0.52 0.35 -0.27 0.00 0.04 0.00 0.00 61.00 61.64 2c46 s PRO 187 Cb -0.45 -1.61 -0.11 0.00 0.04 0.00 0.00 34.50 32.36 2c46 s PRO 187 CO 0.62 -3.49 1.38 1.28 0.04 0.00 0.00 177.00 176.82 2c46 n LEU 188 N -4.68 4.30 -4.70 -3.56 4.77 -1.26 -4.94 117.00 106.93 2c46 n LEU 188 Ca 0.08 1.19 -0.43 0.00 -0.03 0.00 0.00 56.01 56.81 2c46 n LEU 188 Cb 0.58 -1.55 -0.03 0.00 -2.33 0.00 0.00 43.42 40.08 2c46 n LEU 188 CO 0.52 -0.23 1.37 -0.11 -1.33 0.00 0.00 177.39 177.61 2c46 n LEU 189 N 0.42 3.80 -4.75 2.23 7.94 -1.26 -4.93 117.00 120.45 2c46 n LEU 189 Ca 0.04 1.04 -0.36 0.00 -1.11 0.00 0.00 56.01 55.62 2c46 n LEU 189 Cb 0.38 -1.53 0.03 0.00 0.53 0.00 0.00 43.42 42.84 2c46 n LEU 189 CO 0.62 0.08 0.85 -2.84 -1.11 0.00 0.00 177.39 174.98 2c46 s PRO 190 N 1.65 2.97 0.39 1.96 0.02 -1.26 -4.91 135.00 135.82 2c46 s PRO 190 Ca 0.78 1.85 0.06 0.00 0.02 0.00 0.00 61.00 63.71 2c46 s PRO 190 Cb -0.54 -1.94 0.78 0.00 0.02 0.00 0.00 34.50 32.82 2c46 s PRO 190 CO 0.35 -1.21 2.02 -0.44 -0.33 0.00 0.00 177.00 177.40 2c46 h ASP 191 N 0.90 0.58 0.28 2.53 5.19 -2.00 -1.76 116.42 122.15 2c46 h ASP 191 Ca -0.50 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.89 2c46 h ASP 191 Cb 1.30 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.67 2c46 h ASP 191 CO 0.55 0.41 0.00 4.11 -3.12 0.00 0.00 179.24 181.19 2c46 h TRP 192 N 0.68 0.00 0.00 4.55 5.08 -1.91 -1.69 115.95 122.66 2c46 h TRP 192 Ca 0.21 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.18 2c46 h TRP 192 Cb 0.02 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.18 2c46 h TRP 192 CO -0.00 0.00 -0.15 0.00 -1.28 0.00 0.00 178.44 177.01 2c46 s PHE 194 N -3.08 2.90 -0.01 0.00 -0.00 -0.64 -4.95 117.98 112.20 2c46 s PHE 194 Ca 0.11 0.46 0.02 0.00 -0.00 0.00 0.00 56.93 57.52 2c46 s PHE 194 Cb 0.14 -4.10 -0.00 0.00 -0.00 0.00 0.00 43.02 39.07 2c46 s PHE 194 CO 0.61 -4.05 -0.05 -1.21 -0.00 0.00 0.00 175.22 170.51 2c46 s GLU 195 N 0.86 0.50 -0.29 1.99 2.02 -1.26 -4.99 118.70 117.53 2c46 s GLU 195 Ca 0.72 -0.18 -0.22 0.00 0.02 0.00 0.00 54.97 55.31 2c46 s GLU 195 Cb -0.48 -0.49 -0.01 0.00 0.10 0.00 0.00 34.13 33.25 2c46 s GLU 195 CO 0.35 0.09 0.73 0.34 0.02 0.00 0.00 175.26 176.78 2c46 s ASP 196 N 0.03 6.62 0.22 -0.19 -1.08 -1.26 -4.94 116.67 116.07 2c46 s ASP 196 Ca 0.00 0.65 0.21 0.00 -0.52 0.00 0.00 52.55 52.89 2c46 s ASP 196 Cb -0.04 -2.38 0.92 0.00 -1.46 0.00 0.00 42.92 39.96 2c46 s ASP 196 CO -0.00 -0.53 1.64 0.47 0.52 0.00 0.00 175.17 177.27 2c46 n ASP 197 N 6.02 0.53 -0.92 -0.34 8.00 -1.26 -2.41 116.55 126.17 2c46 n ASP 197 Ca 0.02 0.65 0.11 0.00 0.71 0.00 0.00 54.79 56.28 2c46 n ASP 197 Cb 0.48 -0.75 0.11 0.00 -0.02 0.00 0.00 41.12 40.94 2c46 n ASP 197 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2c46 n GLU 198 N -2.11 2.12 0.00 -1.24 4.71 -1.26 -5.38 120.64 117.49 2c46 n GLU 198 Ca 0.02 -1.89 0.00 0.00 -0.01 0.00 0.00 57.16 55.27 2c46 n GLU 198 Cb 0.19 -1.43 0.00 0.00 -1.01 0.00 0.00 31.44 29.18 2c46 n GLU 198 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97