#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nf3 h ALA -4 N 0.00 1.40 -2.31 4.61 0.00 -2.04 -3.46 119.26 117.47 1nf3 h ALA -4 Ca 0.00 -0.08 -0.30 0.00 0.00 0.00 0.00 54.91 54.53 1nf3 h ALA -4 Cb 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 17.63 1nf3 h ALA -4 CO 0.00 0.12 -0.65 -1.64 0.00 0.00 0.00 179.25 177.08 1nf3 s MET -3 N -4.37 1.17 0.00 0.00 1.00 -1.26 -5.15 119.30 110.69 1nf3 s MET -3 Ca -0.04 -1.58 -0.08 0.00 0.00 0.00 0.00 55.69 53.99 1nf3 s MET -3 Cb 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 34.83 34.74 1nf3 s MET -3 CO 0.59 -0.18 0.16 0.20 0.00 0.00 0.00 175.02 175.79 1nf3 s GLY -2 N -3.20 0.02 0.10 -0.03 0.00 -1.26 -4.64 107.32 98.31 1nf3 s GLY -2 Ca 0.27 -0.08 0.25 0.00 0.00 0.00 0.00 44.72 45.16 1nf3 s GLY -2 CO 0.06 -0.23 1.42 0.29 0.00 0.00 0.00 173.10 174.64 1nf3 n ILE -1 N 1.43 0.30 -3.70 0.90 -5.35 0.19 -4.84 119.36 108.29 1nf3 n ILE -1 Ca -0.23 -0.21 -0.14 0.00 -0.27 0.00 0.00 62.75 61.91 1nf3 n ILE -1 Cb 0.56 -0.13 -0.09 0.00 -1.74 0.00 0.00 39.64 38.23 1nf3 n ILE -1 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1nf3 s GLN 2 N -3.12 0.63 -0.20 6.28 2.00 -1.26 -5.05 119.66 118.93 1nf3 s GLN 2 Ca 0.08 0.54 -0.05 0.00 -2.00 0.00 0.00 55.36 53.93 1nf3 s GLN 2 Cb 0.14 0.30 -0.03 0.00 0.80 0.00 0.00 33.01 34.23 1nf3 s GLN 2 CO 0.69 -0.10 0.01 0.99 -0.50 0.00 0.00 175.29 176.38 1nf3 s THR 3 N -0.06 4.07 -0.21 -0.34 2.01 -1.26 -0.71 115.64 119.15 1nf3 s THR 3 Ca -0.03 -0.28 -0.03 0.00 0.31 0.00 0.00 61.69 61.67 1nf3 s THR 3 Cb -0.03 -2.84 -0.01 0.00 0.01 0.00 0.00 72.50 69.63 1nf3 s THR 3 CO 0.02 0.43 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.68 1nf3 s ILE 4 N 0.88 3.19 -0.26 1.82 1.01 0.77 -4.98 121.20 123.62 1nf3 s ILE 4 Ca 0.01 -0.56 -0.12 0.00 0.00 0.00 0.00 60.65 59.98 1nf3 s ILE 4 Cb -0.14 -2.43 -0.05 0.00 0.01 0.00 0.00 42.46 39.85 1nf3 s ILE 4 CO 0.02 0.45 0.26 -0.75 0.00 0.00 0.00 174.94 174.91 1nf3 s LYS 5 N 1.36 4.01 -0.17 2.79 2.20 -1.26 -0.59 119.74 128.09 1nf3 s LYS 5 Ca 0.04 -0.16 0.01 0.00 -0.36 0.00 0.00 55.97 55.51 1nf3 s LYS 5 Cb -0.14 -3.62 0.01 0.00 -1.51 0.00 0.00 37.83 32.57 1nf3 s LYS 5 CO -0.04 -0.15 -0.18 0.00 -0.36 0.00 0.00 175.35 174.62 1nf3 s VAL 7 N 1.09 3.29 -0.19 0.00 1.01 -0.97 -0.02 120.40 124.61 1nf3 s VAL 7 Ca -0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 1nf3 s VAL 7 Cb -0.14 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.91 1nf3 s VAL 7 CO -0.07 0.57 -0.15 -0.69 0.00 0.00 0.00 175.10 174.77 1nf3 s VAL 8 N -0.45 2.54 0.29 2.92 1.01 -0.01 -1.34 120.40 125.36 1nf3 s VAL 8 Ca 0.06 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 61.32 1nf3 s VAL 8 Cb -0.12 -2.10 -0.06 0.00 0.00 0.00 0.00 36.38 34.10 1nf3 s VAL 8 CO 0.02 0.50 -0.05 0.68 0.00 0.00 0.00 175.10 176.25 1nf3 s VAL 9 N 1.28 1.62 0.00 2.92 -7.23 -0.74 -3.15 120.40 115.10 1nf3 s VAL 9 Ca 0.04 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.09 1nf3 s VAL 9 Cb -0.14 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.31 1nf3 s VAL 9 CO -0.08 -0.27 0.00 0.61 -0.31 0.00 0.00 175.10 175.05 1nf3 n GLY 10 N -0.60 3.03 3.54 2.32 0.00 -1.26 -0.95 105.19 111.26 1nf3 n GLY 10 Ca -0.05 -1.41 -0.37 0.00 0.00 0.00 0.00 46.02 44.19 1nf3 n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nf3 n ASP 11 N 0.00 -0.27 -4.77 1.61 9.92 -1.26 -3.97 116.55 117.82 1nf3 n ASP 11 Ca 0.00 0.72 -0.40 0.00 -0.53 0.00 0.00 54.79 54.58 1nf3 n ASP 11 Cb 0.00 -1.28 0.02 0.00 -0.64 0.00 0.00 41.12 39.21 1nf3 n ASP 11 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1nf3 s GLY 12 N -1.32 2.92 0.00 0.44 0.00 -1.16 -2.34 107.32 105.87 1nf3 s GLY 12 Ca 0.72 1.49 0.00 0.00 0.00 0.00 0.00 44.72 46.93 1nf3 s GLY 12 CO 0.52 2.11 0.00 0.00 0.00 0.00 0.00 173.10 175.73 1nf3 n ALA 13 N -0.19 0.00 0.31 3.20 0.00 -1.26 -4.87 120.51 117.70 1nf3 n ALA 13 Ca 0.05 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.64 1nf3 n ALA 13 Cb 0.41 -0.73 0.55 0.00 0.00 0.00 0.00 19.45 19.68 1nf3 n ALA 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1nf3 h VAL 14 N 0.00 0.00 0.00 0.00 -1.51 -1.82 -3.47 116.25 109.46 1nf3 h VAL 14 Ca 0.00 -0.53 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 1nf3 h VAL 14 Cb 0.44 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 31.08 1nf3 h VAL 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 1nf3 n GLY 15 N 0.27 1.75 0.20 5.19 0.00 -1.26 -4.49 105.19 106.86 1nf3 n GLY 15 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1nf3 n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nf3 h LYS 16 N 0.00 -0.32 -0.52 1.61 1.57 -1.90 -0.25 116.57 116.76 1nf3 h LYS 16 Ca 0.00 0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 1nf3 h LYS 16 Cb 0.00 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1nf3 h LYS 16 CO 0.00 -0.21 0.02 1.15 -0.57 0.00 0.00 179.45 179.84 1nf3 h THR 17 N -0.33 1.26 -0.67 -0.16 2.02 -1.97 -1.91 112.91 111.16 1nf3 h THR 17 Ca 0.02 -1.06 -0.04 0.00 0.77 0.00 0.00 66.41 66.10 1nf3 h THR 17 Cb 0.34 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 1nf3 h THR 17 CO -0.07 0.38 0.28 0.00 0.37 0.00 0.00 175.52 176.47 1nf3 h LEU 19 N 0.94 -0.28 -0.21 0.00 5.85 -0.77 0.37 115.31 121.21 1nf3 h LEU 19 Ca 0.22 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 59.00 1nf3 h LEU 19 Cb 0.19 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1nf3 h LEU 19 CO -0.02 -0.10 0.03 -0.07 -0.34 0.00 0.00 178.44 177.94 1nf3 h LEU 20 N -0.01 0.34 -0.59 2.25 3.38 -0.84 -1.98 115.31 117.85 1nf3 h LEU 20 Ca 0.14 -0.26 -0.13 0.00 0.09 0.00 0.00 57.88 57.71 1nf3 h LEU 20 Cb 0.22 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1nf3 h LEU 20 CO -0.29 0.52 -0.29 0.40 0.09 0.00 0.00 178.44 178.86 1nf3 h ILE 21 N 0.15 1.28 -0.32 1.22 2.04 -0.48 -0.80 117.51 120.61 1nf3 h ILE 21 Ca 0.06 -1.44 -0.02 0.00 1.00 0.00 0.00 64.86 64.47 1nf3 h ILE 21 Cb 0.32 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 1nf3 h ILE 21 CO 0.00 0.48 0.11 -1.28 0.00 0.00 0.00 178.15 177.47 1nf3 h SER 22 N 0.68 0.45 -0.16 1.72 0.87 0.03 -0.73 113.55 116.42 1nf3 h SER 22 Ca 0.08 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.45 1nf3 h SER 22 Cb 0.83 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 1nf3 h SER 22 CO 0.07 0.51 0.08 0.22 -0.53 0.00 0.00 176.83 177.18 1nf3 h TYR 23 N 0.36 0.24 0.02 2.24 3.20 -1.20 0.26 116.97 122.07 1nf3 h TYR 23 Ca 0.10 -0.01 -0.20 0.00 3.14 0.00 0.00 58.73 61.76 1nf3 h TYR 23 Cb 0.21 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1nf3 h TYR 23 CO 0.00 0.27 -0.94 1.79 -1.64 0.00 0.00 178.16 177.64 1nf3 h THR 24 N 0.13 1.59 0.00 1.81 1.35 -1.11 -3.38 112.91 113.30 1nf3 h THR 24 Ca 0.06 -2.96 0.00 0.00 -0.55 0.00 0.00 66.41 62.95 1nf3 h THR 24 Cb 0.12 2.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 1nf3 h THR 24 CO -0.01 0.85 0.00 0.35 -0.25 0.00 0.00 175.52 176.47 1nf3 n THR 25 N -3.53 0.09 -1.72 6.82 -2.24 -0.29 -5.00 114.28 108.41 1nf3 n THR 25 Ca -0.02 -0.32 -0.21 0.00 -2.27 0.00 0.00 64.05 61.24 1nf3 n THR 25 Cb 0.86 1.34 -0.08 0.00 -2.10 0.00 0.00 70.33 70.35 1nf3 n THR 25 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1nf3 n ASN 26 N -0.05 -5.53 -4.67 3.42 5.03 0.90 -4.98 115.26 109.38 1nf3 n ASN 26 Ca 0.00 0.42 -0.30 0.00 0.87 0.00 0.00 54.58 55.57 1nf3 n ASN 26 Cb 0.16 -4.79 -0.08 0.00 -1.02 0.00 0.00 39.78 34.04 1nf3 n ASN 26 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1nf3 s LYS 27 N -3.95 2.49 -0.25 3.52 1.02 -1.24 -4.96 119.74 116.38 1nf3 s LYS 27 Ca 0.00 -0.87 0.02 0.00 0.02 0.00 0.00 55.97 55.14 1nf3 s LYS 27 Cb 0.00 -2.51 0.06 0.00 -0.52 0.00 0.00 37.83 34.86 1nf3 s LYS 27 CO 0.00 0.53 -0.06 0.12 -0.92 0.00 0.00 175.35 175.02 1nf3 s PHE 28 N -1.31 2.72 0.45 3.18 5.36 -1.26 -2.54 117.98 124.58 1nf3 s PHE 28 Ca 0.25 -1.99 -0.25 0.00 -0.96 0.00 0.00 56.93 53.98 1nf3 s PHE 28 Cb -0.12 -1.75 -0.08 0.00 -0.34 0.00 0.00 43.02 40.73 1nf3 s PHE 28 CO 0.18 -0.82 1.41 -2.30 -1.46 0.00 0.00 175.22 172.23 1nf3 n PRO 29 N 4.58 2.18 -0.10 10.12 -0.02 -1.26 -4.93 135.00 145.57 1nf3 n PRO 29 Ca -0.12 0.78 -0.21 0.00 -2.02 0.00 0.00 63.50 61.93 1nf3 n PRO 29 Cb 0.43 -2.59 -0.12 0.00 -0.02 0.00 0.00 33.50 31.20 1nf3 n PRO 29 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1nf3 h SER 30 N 2.23 0.00 -3.75 2.55 4.64 -2.05 -3.47 113.55 113.70 1nf3 h SER 30 Ca -0.50 -0.55 -0.49 0.00 -0.47 0.00 0.00 61.79 59.78 1nf3 h SER 30 Cb 1.27 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.34 1nf3 h SER 30 CO 0.61 1.46 0.35 -0.70 -0.87 0.00 0.00 176.83 177.68 1nf3 s GLU 31 N -2.35 4.85 -0.28 4.77 2.56 -1.26 -5.04 118.70 121.95 1nf3 s GLU 31 Ca -0.28 1.49 -0.16 0.00 0.00 0.00 0.00 54.97 56.02 1nf3 s GLU 31 Cb 0.05 -3.28 -0.03 0.00 2.00 0.00 0.00 34.13 32.87 1nf3 s GLU 31 CO 0.60 0.51 0.44 -0.47 -0.56 0.00 0.00 175.26 175.77 1nf3 s TYR 32 N -1.15 3.25 -0.21 5.30 5.04 -1.26 -5.04 117.35 123.28 1nf3 s TYR 32 Ca 0.41 0.46 0.01 0.00 -2.44 0.00 0.00 57.07 55.51 1nf3 s TYR 32 Cb -0.26 -2.66 0.05 0.00 0.35 0.00 0.00 41.96 39.44 1nf3 s TYR 32 CO 0.32 -0.28 -0.07 0.08 -1.34 0.00 0.00 175.55 174.26 1nf3 s VAL 33 N 2.18 1.49 0.25 3.14 1.01 -1.26 -5.10 120.40 122.11 1nf3 s VAL 33 Ca 0.17 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 1nf3 s VAL 33 Cb -0.16 -1.66 -0.14 0.00 0.00 0.00 0.00 36.38 34.42 1nf3 s VAL 33 CO 0.10 0.06 1.18 -2.65 0.00 0.00 0.00 175.10 173.79 1nf3 n PRO 34 N 4.72 1.53 -3.09 2.72 -0.02 -1.26 -4.94 135.00 134.65 1nf3 n PRO 34 Ca -0.13 0.54 -0.37 0.00 -2.02 0.00 0.00 63.50 61.52 1nf3 n PRO 34 Cb 0.46 -2.04 -0.06 0.00 -0.02 0.00 0.00 33.50 31.84 1nf3 n PRO 34 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1nf3 s THR 35 N -0.56 4.54 -0.12 3.45 2.01 -1.26 -4.96 115.64 118.73 1nf3 s THR 35 Ca 0.65 1.39 -0.07 0.00 0.31 0.00 0.00 61.69 63.97 1nf3 s THR 35 Cb -0.72 -3.94 -0.06 0.00 0.01 0.00 0.00 72.50 67.79 1nf3 s THR 35 CO 0.55 0.34 -0.18 0.52 -0.69 0.00 0.00 174.62 175.17 1nf3 n VAL 36 N 1.10 0.84 -3.54 3.82 0.31 -1.26 -3.86 118.33 115.74 1nf3 n VAL 36 Ca -0.04 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1nf3 n VAL 36 Cb 0.50 -1.73 -0.06 0.00 -0.91 0.00 0.00 33.84 31.65 1nf3 n VAL 36 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 1nf3 s PHE 37 N -2.28 -0.48 -0.07 3.52 5.99 -1.26 -3.70 117.98 119.70 1nf3 s PHE 37 Ca -0.19 0.90 -0.05 0.00 0.00 0.00 0.00 56.93 57.59 1nf3 s PHE 37 Cb 0.07 0.28 0.03 0.00 0.00 0.00 0.00 43.02 43.40 1nf3 s PHE 37 CO 0.24 -0.24 0.18 -0.51 -0.00 0.00 0.00 175.22 174.89 1nf3 s ASP 38 N 1.66 -0.18 -0.12 6.13 1.01 -0.94 -5.02 116.67 119.20 1nf3 s ASP 38 Ca -0.06 0.37 0.02 0.00 0.71 0.00 0.00 52.55 53.59 1nf3 s ASP 38 Cb -0.04 0.32 0.01 0.00 1.01 0.00 0.00 42.92 44.22 1nf3 s ASP 38 CO -0.15 -0.11 -0.18 0.21 0.21 0.00 0.00 175.17 175.16 1nf3 s ASN 39 N 0.64 2.72 0.23 0.27 3.04 -1.26 -0.73 114.94 119.84 1nf3 s ASN 39 Ca -0.05 -0.50 0.05 0.00 0.04 0.00 0.00 52.86 52.40 1nf3 s ASN 39 Cb -0.06 -1.23 -0.05 0.00 -1.54 0.00 0.00 41.25 38.36 1nf3 s ASN 39 CO -0.03 0.04 -0.05 -0.31 -3.04 0.00 0.00 177.10 173.70 1nf3 s TYR 40 N 0.95 1.64 0.01 0.43 1.51 -0.04 -5.00 117.35 116.85 1nf3 s TYR 40 Ca -0.06 -0.79 -0.01 0.00 -1.01 0.00 0.00 57.07 55.20 1nf3 s TYR 40 Cb -0.15 -0.91 -0.01 0.00 -0.11 0.00 0.00 41.96 40.78 1nf3 s TYR 40 CO -0.02 0.12 0.00 0.00 -1.11 0.00 0.00 175.55 174.54 1nf3 s ALA 41 N -3.24 0.02 0.04 3.71 0.00 -1.26 0.20 121.76 121.23 1nf3 s ALA 41 Ca 0.26 -0.26 -0.04 0.00 0.00 0.00 0.00 51.96 51.92 1nf3 s ALA 41 Cb 0.04 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 1nf3 s ALA 41 CO 0.08 -0.09 0.06 0.14 0.00 0.00 0.00 175.76 175.95 1nf3 s VAL 42 N -0.75 0.15 -0.16 0.00 -7.23 -0.85 -5.00 120.40 106.57 1nf3 s VAL 42 Ca -0.08 -1.24 -0.07 0.00 -1.81 0.00 0.00 61.98 58.79 1nf3 s VAL 42 Cb -0.05 -0.99 -0.04 0.00 0.56 0.00 0.00 36.38 35.86 1nf3 s VAL 42 CO -0.00 -0.68 0.07 -0.89 -0.31 0.00 0.00 175.10 173.28 1nf3 s THR 43 N -2.85 4.88 -0.05 5.32 2.01 -1.26 -0.35 115.64 123.33 1nf3 s THR 43 Ca -0.03 -0.01 0.03 0.00 0.31 0.00 0.00 61.69 61.99 1nf3 s THR 43 Cb 0.00 -3.17 0.01 0.00 0.01 0.00 0.00 72.50 69.36 1nf3 s THR 43 CO -0.06 0.51 -0.12 0.68 -0.69 0.00 0.00 174.62 174.94 1nf3 s VAL 44 N -0.07 1.07 -0.14 3.82 -7.23 0.71 -4.91 120.40 113.64 1nf3 s VAL 44 Ca 0.07 -0.47 -0.29 0.00 -1.81 0.00 0.00 61.98 59.48 1nf3 s VAL 44 Cb -0.12 -0.96 -0.01 0.00 0.56 0.00 0.00 36.38 35.85 1nf3 s VAL 44 CO 0.01 0.33 1.10 -0.04 -0.31 0.00 0.00 175.10 176.19 1nf3 s MET 45 N 0.48 4.33 -0.12 4.82 -1.94 -1.26 -1.35 119.30 124.25 1nf3 s MET 45 Ca -0.10 1.48 0.00 0.00 -1.71 0.00 0.00 55.69 55.37 1nf3 s MET 45 Cb -0.13 -3.61 0.02 0.00 2.01 0.00 0.00 34.83 33.11 1nf3 s MET 45 CO 0.03 -0.51 -0.11 0.42 -0.01 0.00 0.00 175.02 174.84 1nf3 s ILE 46 N 2.68 1.28 -1.67 2.53 1.01 -0.09 -4.60 121.20 122.34 1nf3 s ILE 46 Ca 0.50 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.68 1nf3 s ILE 46 Cb -0.19 -1.23 0.00 0.00 0.01 0.00 0.00 42.46 41.05 1nf3 s ILE 46 CO 0.14 0.41 0.00 0.61 0.00 0.00 0.00 174.94 176.10 1nf3 n GLY 47 N 4.65 1.59 2.41 6.18 0.00 -1.26 -1.29 105.19 117.48 1nf3 n GLY 47 Ca -0.16 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1nf3 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nf3 n GLY 48 N -1.04 1.48 3.67 -0.02 0.00 -1.26 -5.02 105.19 102.99 1nf3 n GLY 48 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 1nf3 n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nf3 s GLU 49 N -0.20 2.89 0.11 1.61 0.41 -0.41 -5.01 118.70 118.11 1nf3 s GLU 49 Ca 0.00 -0.49 -0.31 0.00 -0.41 0.00 0.00 54.97 53.76 1nf3 s GLU 49 Cb 0.00 -2.72 -0.09 0.00 -1.78 0.00 0.00 34.13 29.53 1nf3 s GLU 49 CO 0.00 0.67 1.68 -2.14 -0.49 0.00 0.00 175.26 174.98 1nf3 s PRO 50 N -1.10 4.18 0.01 0.39 0.02 -1.26 -0.91 135.00 136.33 1nf3 s PRO 50 Ca 0.15 2.42 0.05 0.00 0.02 0.00 0.00 61.00 63.64 1nf3 s PRO 50 Cb -0.11 -3.47 -0.02 0.00 0.02 0.00 0.00 34.50 30.93 1nf3 s PRO 50 CO 0.05 -0.73 -0.15 0.71 -0.33 0.00 0.00 177.00 176.55 1nf3 s TYR 51 N 2.24 1.31 -0.23 6.54 1.51 -0.46 0.56 117.35 128.82 1nf3 s TYR 51 Ca 0.75 -0.30 -0.13 0.00 -1.01 0.00 0.00 57.07 56.38 1nf3 s TYR 51 Cb -0.43 -0.81 -0.04 0.00 -0.11 0.00 0.00 41.96 40.57 1nf3 s TYR 51 CO 0.33 0.01 0.27 0.99 -1.11 0.00 0.00 175.55 176.04 1nf3 s THR 52 N -0.58 5.28 -0.39 -0.71 2.01 0.11 -0.21 115.64 121.16 1nf3 s THR 52 Ca 0.04 0.42 -0.10 0.00 0.31 0.00 0.00 61.69 62.37 1nf3 s THR 52 Cb -0.07 -3.61 0.05 0.00 0.01 0.00 0.00 72.50 68.88 1nf3 s THR 52 CO 0.00 0.29 0.21 -0.22 -0.69 0.00 0.00 174.62 174.22 1nf3 s LEU 53 N 1.24 4.83 -0.36 4.42 2.96 0.52 -0.17 118.68 132.12 1nf3 s LEU 53 Ca 0.13 -1.21 -0.20 0.00 -0.22 0.00 0.00 54.13 52.63 1nf3 s LEU 53 Cb -0.14 -1.99 0.00 0.00 0.50 0.00 0.00 46.19 44.56 1nf3 s LEU 53 CO 0.06 -0.44 0.62 -0.83 -1.32 0.00 0.00 176.35 174.45 1nf3 s GLY 54 N 1.74 1.76 -0.19 7.98 0.00 0.24 -2.00 107.32 116.85 1nf3 s GLY 54 Ca 0.02 -0.90 -0.07 0.00 0.00 0.00 0.00 44.72 43.76 1nf3 s GLY 54 CO 0.04 1.46 0.06 1.08 0.00 0.00 0.00 173.10 175.74 1nf3 s LEU 55 N 2.67 3.73 -0.26 0.66 1.43 0.13 -1.01 118.68 126.03 1nf3 s LEU 55 Ca 0.23 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.38 1nf3 s LEU 55 Cb -0.15 -1.95 0.06 0.00 0.03 0.00 0.00 46.19 44.18 1nf3 s LEU 55 CO 0.15 0.14 -0.09 -0.36 0.23 0.00 0.00 176.35 176.42 1nf3 s PHE 56 N 0.56 3.24 -0.00 0.29 0.40 0.97 -0.86 117.98 122.58 1nf3 s PHE 56 Ca 0.03 -2.20 -0.19 0.00 -0.60 0.00 0.00 56.93 53.98 1nf3 s PHE 56 Cb -0.13 -1.97 -0.06 0.00 0.51 0.00 0.00 43.02 41.38 1nf3 s PHE 56 CO 0.01 -0.86 0.53 0.34 0.70 0.00 0.00 175.22 175.94 1nf3 s ASP 57 N 1.14 6.91 0.33 1.36 -1.08 0.09 -0.83 116.67 124.60 1nf3 s ASP 57 Ca -0.08 1.09 0.05 0.00 -0.52 0.00 0.00 52.55 53.09 1nf3 s ASP 57 Cb -0.20 -2.33 -0.07 0.00 -1.46 0.00 0.00 42.92 38.87 1nf3 s ASP 57 CO -0.05 0.17 0.02 0.42 0.52 0.00 0.00 175.17 176.25 1nf3 s THR 58 N -0.45 1.49 -0.26 1.71 -4.23 -1.19 -2.23 115.64 110.49 1nf3 s THR 58 Ca 0.28 -2.03 -0.29 0.00 -1.18 0.00 0.00 61.69 58.47 1nf3 s THR 58 Cb -0.18 -2.75 0.01 0.00 1.34 0.00 0.00 72.50 70.93 1nf3 s THR 58 CO 0.16 -0.08 1.10 0.00 -0.54 0.00 0.00 174.62 175.25 1nf3 s ALA 59 N -3.09 3.60 -0.09 3.99 0.00 -1.24 -4.77 121.76 120.16 1nf3 s ALA 59 Ca 0.34 0.13 0.30 0.00 0.00 0.00 0.00 51.96 52.72 1nf3 s ALA 59 Cb 0.08 -3.62 0.99 0.00 0.00 0.00 0.00 23.12 20.57 1nf3 s ALA 59 CO 0.15 -1.27 1.85 0.78 0.00 0.00 0.00 175.76 177.27 1nf3 h GLY 60 N 9.81 0.00 -4.57 0.00 0.00 -1.79 -3.45 103.07 103.07 1nf3 h GLY 60 Ca -0.21 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.57 1nf3 h GLY 60 CO 1.00 0.00 0.50 1.08 0.00 0.00 0.00 176.54 179.12 1nf3 s LEU 61 N -6.21 4.32 0.57 3.11 1.43 -1.26 -2.98 118.68 117.65 1nf3 s LEU 61 Ca 0.03 1.67 0.35 0.00 -1.03 0.00 0.00 54.13 55.15 1nf3 s LEU 61 Cb 0.08 -3.56 1.88 0.00 0.03 0.00 0.00 46.19 44.61 1nf3 s LEU 61 CO 0.59 -0.39 2.05 1.05 0.23 0.00 0.00 176.35 179.88 1nf3 h GLU 62 N 6.99 0.00 -0.63 1.70 4.11 -1.99 -0.36 114.58 124.40 1nf3 h GLU 62 Ca -0.37 0.00 0.07 0.00 0.07 0.00 0.00 59.36 59.13 1nf3 h GLU 62 Cb 1.19 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 1nf3 h GLU 62 CO 0.81 0.00 0.41 -0.44 0.07 0.00 0.00 179.01 179.87 1nf3 h ASP 63 N 0.00 0.52 -0.59 3.06 3.45 -1.96 -1.80 116.42 119.10 1nf3 h ASP 63 Ca 0.00 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.43 1nf3 h ASP 63 Cb 0.18 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 38.82 1nf3 h ASP 63 CO 0.00 0.33 0.05 -1.22 -1.57 0.00 0.00 179.24 176.83 1nf3 n TYR 64 N -4.48 2.11 -0.31 4.55 4.01 -0.15 -4.58 117.16 118.32 1nf3 n TYR 64 Ca 0.09 -0.82 0.08 0.00 -0.16 0.00 0.00 57.90 57.09 1nf3 n TYR 64 Cb 0.26 -0.54 0.24 0.00 -0.31 0.00 0.00 39.34 38.99 1nf3 n TYR 64 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1nf3 h ASP 65 N 3.68 0.58 -0.66 7.72 3.32 -1.43 -1.38 116.42 128.26 1nf3 h ASP 65 Ca 0.05 0.09 0.14 0.00 0.02 0.00 0.00 57.03 57.32 1nf3 h ASP 65 Cb 2.03 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 41.53 1nf3 h ASP 65 CO 0.53 0.24 0.45 -0.09 -1.72 0.00 0.00 179.24 178.65 1nf3 h ARG 66 N 0.66 0.31 0.00 3.56 2.43 -1.83 -2.21 114.38 117.30 1nf3 h ARG 66 Ca 0.48 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.52 1nf3 h ARG 66 Cb 0.67 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 1nf3 h ARG 66 CO -0.36 0.20 -1.05 -0.07 -1.51 0.00 0.00 179.97 177.18 1nf3 h LEU 67 N 0.32 0.00 -0.27 3.80 3.38 -1.61 -3.41 115.31 117.51 1nf3 h LEU 67 Ca 0.32 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.35 1nf3 h LEU 67 Cb 0.81 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.49 1nf3 h LEU 67 CO -0.08 0.40 -0.20 -0.09 0.09 0.00 0.00 178.44 178.56 1nf3 h ARG 68 N 0.00 -0.18 -0.24 1.13 2.43 -1.16 -1.49 114.38 114.88 1nf3 h ARG 68 Ca -0.08 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.17 1nf3 h ARG 68 Cb 1.38 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.96 1nf3 h ARG 68 CO 0.04 -0.12 0.65 -1.35 -1.51 0.00 0.00 179.97 177.68 1nf3 h PRO 69 N -0.18 0.00 -0.24 0.20 0.11 -1.79 0.10 132.00 130.20 1nf3 h PRO 69 Ca 0.15 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.33 1nf3 h PRO 69 Cb 0.41 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 1nf3 h PRO 69 CO -0.38 0.00 0.18 -0.07 -0.21 0.00 0.00 178.00 177.52 1nf3 h LEU 70 N 0.00 0.00 -0.59 2.35 3.38 -1.57 -0.58 115.31 118.30 1nf3 h LEU 70 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1nf3 h LEU 70 Cb 1.42 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.17 1nf3 h LEU 70 CO -0.00 0.00 -0.06 0.28 0.09 0.00 0.00 178.44 178.75 1nf3 h SER 71 N 0.00 0.00 -0.02 -0.43 0.02 -0.98 -3.38 113.55 108.76 1nf3 h SER 71 Ca 0.11 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.94 1nf3 h SER 71 Cb 0.47 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1nf3 h SER 71 CO -0.00 0.06 -0.36 1.88 -1.14 0.00 0.00 176.83 177.26 1nf3 h TYR 72 N 0.00 0.60 -2.46 3.45 0.05 -1.24 -3.45 116.97 113.92 1nf3 h TYR 72 Ca -0.00 -0.16 -0.56 0.00 0.05 0.00 0.00 58.73 58.06 1nf3 h TYR 72 Cb 0.84 -0.13 0.06 0.00 1.01 0.00 0.00 36.73 38.51 1nf3 h TYR 72 CO 0.00 0.81 0.88 -2.30 -1.05 0.00 0.00 178.16 176.49 1nf3 n PRO 73 N -4.05 2.40 -1.14 4.88 -0.02 -1.26 -2.43 135.00 133.38 1nf3 n PRO 73 Ca -0.01 0.87 -0.05 0.00 -2.02 0.00 0.00 63.50 62.29 1nf3 n PRO 73 Cb 0.48 -2.66 -0.02 0.00 -0.02 0.00 0.00 33.50 31.28 1nf3 n PRO 73 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1nf3 n GLN 74 N 3.54 -0.58 -2.28 -0.52 6.02 0.49 -4.96 117.38 119.10 1nf3 n GLN 74 Ca 0.16 0.56 -0.41 0.00 -0.01 0.00 0.00 57.00 57.30 1nf3 n GLN 74 Cb 0.31 -4.27 -0.03 0.00 1.02 0.00 0.00 30.24 27.27 1nf3 n GLN 74 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1nf3 s THR 75 N -2.06 3.31 -0.17 5.09 2.01 -1.02 -4.47 115.64 118.34 1nf3 s THR 75 Ca 0.00 1.11 0.10 0.00 0.31 0.00 0.00 61.69 63.21 1nf3 s THR 75 Cb 0.00 -3.71 -0.23 0.00 0.01 0.00 0.00 72.50 68.57 1nf3 s THR 75 CO 0.00 0.18 0.18 0.47 -0.69 0.00 0.00 174.62 174.76 1nf3 n ASP 76 N 2.40 0.94 -3.73 3.53 8.00 -0.24 -0.59 116.55 126.85 1nf3 n ASP 76 Ca 0.05 0.10 -0.13 0.00 0.71 0.00 0.00 54.79 55.51 1nf3 n ASP 76 Cb 0.43 0.18 -0.09 0.00 -0.02 0.00 0.00 41.12 41.62 1nf3 n ASP 76 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1nf3 s VAL 77 N -2.53 0.02 0.09 2.53 0.11 -0.74 -4.12 120.40 115.75 1nf3 s VAL 77 Ca -0.16 -0.15 0.07 0.00 -2.93 0.00 0.00 61.98 58.81 1nf3 s VAL 77 Cb 0.07 -0.60 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 1nf3 s VAL 77 CO 0.77 -0.08 -0.12 -0.36 -3.33 0.00 0.00 175.10 171.98 1nf3 s PHE 78 N -0.34 2.70 -0.25 1.54 0.08 -0.62 -2.29 117.98 118.81 1nf3 s PHE 78 Ca -0.05 -0.17 0.01 0.00 0.12 0.00 0.00 56.93 56.84 1nf3 s PHE 78 Cb -0.03 -1.44 0.04 0.00 -0.57 0.00 0.00 43.02 41.02 1nf3 s PHE 78 CO 0.02 0.40 -0.10 -0.51 -0.10 0.00 0.00 175.22 174.94 1nf3 s LEU 79 N -2.07 3.19 -0.37 -0.37 1.43 -0.45 -0.45 118.68 119.60 1nf3 s LEU 79 Ca 0.20 -1.08 -0.12 0.00 -1.03 0.00 0.00 54.13 52.09 1nf3 s LEU 79 Cb -0.11 -1.60 0.01 0.00 0.03 0.00 0.00 46.19 44.53 1nf3 s LEU 79 CO 0.12 -0.15 0.23 -0.69 0.23 0.00 0.00 176.35 176.10 1nf3 s VAL 80 N 1.23 4.94 0.14 -1.59 1.01 0.11 -1.79 120.40 124.43 1nf3 s VAL 80 Ca -0.03 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.39 1nf3 s VAL 80 Cb -0.18 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1nf3 s VAL 80 CO -0.06 -0.17 0.12 0.00 0.00 0.00 0.00 175.10 175.00 1nf3 s PHE 82 N -1.63 -0.33 0.04 0.00 -0.12 -0.79 -4.02 117.98 111.14 1nf3 s PHE 82 Ca 0.30 0.56 -0.30 0.00 -0.05 0.00 0.00 56.93 57.44 1nf3 s PHE 82 Cb -0.11 0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.43 1nf3 s PHE 82 CO 0.23 -0.45 0.98 0.45 -0.05 0.00 0.00 175.22 176.38 1nf3 s SER 83 N -1.23 7.42 0.33 1.98 0.15 -1.26 -1.08 113.70 120.01 1nf3 s SER 83 Ca -0.12 1.72 0.25 0.00 0.70 0.00 0.00 55.95 58.49 1nf3 s SER 83 Cb -0.04 -2.58 1.19 0.00 -1.71 0.00 0.00 66.02 62.89 1nf3 s SER 83 CO 0.06 -0.19 1.76 -0.37 1.20 0.00 0.00 173.24 175.70 1nf3 h VAL 84 N 4.50 0.00 -0.46 4.45 -1.51 -1.73 -1.53 116.25 119.97 1nf3 h VAL 84 Ca -0.42 -0.14 -0.13 0.00 -1.23 0.00 0.00 66.70 64.78 1nf3 h VAL 84 Cb 1.22 0.81 -0.08 0.00 -2.13 0.00 0.00 31.29 31.11 1nf3 h VAL 84 CO 0.74 0.00 0.08 1.33 -1.23 0.00 0.00 177.57 178.49 1nf3 n VAL 85 N -2.37 2.59 -3.51 7.19 0.24 -1.26 0.29 118.33 121.51 1nf3 n VAL 85 Ca 0.00 -2.03 -0.29 0.00 -2.04 0.00 0.00 64.34 59.98 1nf3 n VAL 85 Cb 0.14 -0.31 -0.12 0.00 -1.47 0.00 0.00 33.84 32.08 1nf3 n VAL 85 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1nf3 s SER 86 N -1.79 3.10 0.31 -1.34 0.15 -0.58 -4.89 113.70 108.66 1nf3 s SER 86 Ca 0.47 -2.23 0.07 0.00 0.70 0.00 0.00 55.95 54.97 1nf3 s SER 86 Cb 0.39 -0.50 0.81 0.00 -1.71 0.00 0.00 66.02 65.01 1nf3 s SER 86 CO 0.08 -0.31 1.72 -0.65 1.20 0.00 0.00 173.24 175.28 1nf3 h PRO 87 N 7.02 0.51 -0.50 5.44 0.11 -1.87 -1.35 132.00 141.35 1nf3 h PRO 87 Ca 0.04 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.04 1nf3 h PRO 87 Cb 0.96 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 1nf3 h PRO 87 CO 0.30 0.34 -0.00 0.66 -0.21 0.00 0.00 178.00 179.09 1nf3 h SER 88 N 0.52 0.87 -0.80 -2.05 4.64 -1.95 0.11 113.55 114.89 1nf3 h SER 88 Ca 0.60 -0.31 -0.01 0.00 -0.47 0.00 0.00 61.79 61.60 1nf3 h SER 88 Cb 1.13 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 62.95 1nf3 h SER 88 CO -0.49 0.96 0.46 0.77 -0.87 0.00 0.00 176.83 177.67 1nf3 h SER 89 N 0.75 0.99 -0.03 4.97 4.64 -1.60 -0.93 113.55 122.34 1nf3 h SER 89 Ca 0.14 -0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1nf3 h SER 89 Cb 0.52 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1nf3 h SER 89 CO 0.03 0.79 0.01 0.15 -0.87 0.00 0.00 176.83 176.94 1nf3 h PHE 90 N 1.11 0.04 -0.73 4.77 3.57 -1.12 -2.65 116.94 121.93 1nf3 h PHE 90 Ca 0.29 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.87 1nf3 h PHE 90 Cb 0.01 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.68 1nf3 h PHE 90 CO 0.00 0.21 0.48 1.49 -2.23 0.00 0.00 178.31 178.26 1nf3 h GLU 91 N -0.14 0.63 0.00 1.11 4.57 -0.47 -1.26 114.58 119.02 1nf3 h GLU 91 Ca 0.01 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1nf3 h GLU 91 Cb 0.19 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1nf3 h GLU 91 CO -0.00 0.42 0.00 0.09 -1.18 0.00 0.00 179.01 178.34 1nf3 n ASN 92 N -4.49 0.38 -0.15 1.04 3.02 -0.38 -2.28 115.26 112.40 1nf3 n ASN 92 Ca 0.12 0.58 -0.09 0.00 -0.03 0.00 0.00 54.58 55.16 1nf3 n ASN 92 Cb 0.32 -0.67 -0.00 0.00 -0.61 0.00 0.00 39.78 38.82 1nf3 n ASN 92 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1nf3 h VAL 93 N 0.00 1.23 0.00 2.41 2.07 -1.05 0.19 116.25 121.10 1nf3 h VAL 93 Ca 0.00 -0.81 -0.17 0.00 0.82 0.00 0.00 66.70 66.55 1nf3 h VAL 93 Cb 0.36 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1nf3 h VAL 93 CO 0.00 0.28 -1.14 0.07 0.02 0.00 0.00 177.57 176.80 1nf3 h LYS 94 N 0.57 0.00 0.14 1.57 2.10 -1.59 -1.19 116.57 118.17 1nf3 h LYS 94 Ca 0.14 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.48 1nf3 h LYS 94 Cb 0.32 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.65 1nf3 h LYS 94 CO 0.00 0.44 -1.52 0.93 -2.00 0.00 0.00 179.45 177.30 1nf3 h GLU 95 N 0.00 0.29 0.00 0.07 5.08 -1.39 -3.41 114.58 115.22 1nf3 h GLU 95 Ca -0.11 -0.50 0.00 0.00 -1.00 0.00 0.00 59.36 57.75 1nf3 h GLU 95 Cb 1.59 0.19 0.00 0.00 0.50 0.00 0.00 28.75 31.03 1nf3 h GLU 95 CO 0.06 1.18 -0.28 1.17 -1.00 0.00 0.00 179.01 180.13 1nf3 n LYS 96 N -3.50 0.00 0.14 2.33 4.81 0.53 -4.76 118.16 117.71 1nf3 n LYS 96 Ca -0.17 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.14 1nf3 n LYS 96 Cb 1.05 -0.44 -0.08 0.00 0.02 0.00 0.00 35.03 35.58 1nf3 n LYS 96 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 1nf3 h TRP 97 N 0.00 -0.28 -0.51 5.64 4.06 -1.29 -1.41 115.95 122.17 1nf3 h TRP 97 Ca 0.00 -0.01 -0.06 0.00 2.06 0.00 0.00 58.89 60.88 1nf3 h TRP 97 Cb 0.28 0.09 -0.02 0.00 -1.00 0.00 0.00 29.16 28.52 1nf3 h TRP 97 CO 0.00 -0.11 0.06 0.28 -3.56 0.00 0.00 178.44 175.11 1nf3 h VAL 98 N -0.37 1.25 -0.70 1.49 2.07 -1.45 -2.45 116.25 116.09 1nf3 h VAL 98 Ca -0.03 -0.97 0.10 0.00 0.82 0.00 0.00 66.70 66.62 1nf3 h VAL 98 Cb 0.28 0.90 -0.08 0.00 -1.52 0.00 0.00 31.29 30.88 1nf3 h VAL 98 CO 0.05 0.35 0.32 -0.65 0.02 0.00 0.00 177.57 177.66 1nf3 h PRO 99 N 0.72 0.52 0.87 1.57 0.11 -1.76 -1.45 132.00 132.59 1nf3 h PRO 99 Ca 0.15 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.19 1nf3 h PRO 99 Cb 0.43 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 31.43 1nf3 h PRO 99 CO 0.01 0.35 -0.42 1.49 -0.21 0.00 0.00 178.00 179.22 1nf3 h GLU 100 N 0.54 -1.13 -0.65 1.05 4.81 -1.04 -0.62 114.58 117.54 1nf3 h GLU 100 Ca 0.35 0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.63 1nf3 h GLU 100 Cb 0.42 0.26 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 1nf3 h GLU 100 CO -0.30 -0.75 0.28 -0.84 -0.73 0.00 0.00 179.01 176.67 1nf3 h ILE 101 N -1.27 1.22 0.00 2.32 3.07 -1.38 -2.11 117.51 119.36 1nf3 h ILE 101 Ca -0.12 -0.65 -0.05 0.00 1.55 0.00 0.00 64.86 65.58 1nf3 h ILE 101 Cb 0.91 0.42 -0.01 0.00 -0.27 0.00 0.00 36.82 37.87 1nf3 h ILE 101 CO 0.20 0.27 -0.26 0.71 -1.05 0.00 0.00 178.15 178.01 1nf3 h THR 102 N 0.92 0.55 -0.05 0.16 1.35 -1.31 0.35 112.91 114.88 1nf3 h THR 102 Ca 0.22 -1.35 -0.24 0.00 -0.55 0.00 0.00 66.41 64.49 1nf3 h THR 102 Cb 0.14 1.94 0.01 0.00 -1.73 0.00 0.00 68.15 68.51 1nf3 h THR 102 CO -0.02 0.26 -0.93 -0.74 -0.25 0.00 0.00 175.52 173.83 1nf3 h HIS 103 N 0.00 0.97 0.18 4.73 -0.00 -0.53 -2.94 115.15 117.57 1nf3 h HIS 103 Ca -0.00 -0.49 -0.31 0.00 -0.00 0.00 0.00 60.37 59.57 1nf3 h HIS 103 Cb 0.92 -0.12 0.02 0.00 -0.00 0.00 0.00 27.41 28.22 1nf3 h HIS 103 CO 0.00 1.32 -1.37 0.45 -0.00 0.00 0.00 177.93 178.32 1nf3 h HIS 104 N 0.41 0.71 -2.20 5.26 3.86 -1.16 -3.40 115.15 118.63 1nf3 h HIS 104 Ca -0.09 -0.52 -0.58 0.00 -1.16 0.00 0.00 60.37 58.02 1nf3 h HIS 104 Cb 1.57 -0.03 -0.40 0.00 1.06 0.00 0.00 27.41 29.62 1nf3 h HIS 104 CO 0.09 1.42 -0.93 0.00 0.86 0.00 0.00 177.93 179.37 1nf3 n PRO 106 N 1.61 0.03 0.00 0.00 -0.04 -1.11 -2.41 135.00 133.09 1nf3 n PRO 106 Ca 0.25 0.34 0.06 0.00 -0.04 0.00 0.00 63.50 64.11 1nf3 n PRO 106 Cb 0.48 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.40 1nf3 n PRO 106 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1nf3 n LYS 107 N -1.40 2.69 -3.12 0.54 4.76 -1.26 -5.00 118.16 115.37 1nf3 n LYS 107 Ca 0.01 -0.24 -0.39 0.00 -2.87 0.00 0.00 58.31 54.83 1nf3 n LYS 107 Cb 0.04 -1.09 -0.05 0.00 -1.84 0.00 0.00 35.03 32.09 1nf3 n LYS 107 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1nf3 s THR 108 N -1.93 5.06 0.80 -0.18 2.01 -1.01 -4.53 115.64 115.85 1nf3 s THR 108 Ca 0.06 1.32 -0.11 0.00 0.31 0.00 0.00 61.69 63.28 1nf3 s THR 108 Cb 0.09 -3.98 0.08 0.00 0.01 0.00 0.00 72.50 68.70 1nf3 s THR 108 CO 0.43 0.29 1.10 -2.16 -0.69 0.00 0.00 174.62 173.58 1nf3 s PRO 109 N 0.65 1.99 0.02 4.92 0.04 -1.26 -4.86 135.00 136.49 1nf3 s PRO 109 Ca 0.34 1.19 -0.15 0.00 0.04 0.00 0.00 61.00 62.42 1nf3 s PRO 109 Cb -0.17 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.53 1nf3 s PRO 109 CO 0.16 -1.84 0.32 -0.59 0.04 0.00 0.00 177.00 175.10 1nf3 s PHE 110 N -2.87 -0.16 0.19 0.56 -0.71 -1.26 -1.59 117.98 112.14 1nf3 s PHE 110 Ca 0.62 0.14 0.08 0.00 -1.04 0.00 0.00 56.93 56.73 1nf3 s PHE 110 Cb -0.18 0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.70 1nf3 s PHE 110 CO 0.56 -0.46 -0.03 -0.51 -1.34 0.00 0.00 175.22 173.45 1nf3 s LEU 111 N -1.72 3.21 -0.23 -1.99 1.02 0.41 -1.12 118.68 118.25 1nf3 s LEU 111 Ca -0.09 -0.48 -0.10 0.00 0.02 0.00 0.00 54.13 53.48 1nf3 s LEU 111 Cb -0.03 -1.85 -0.05 0.00 0.02 0.00 0.00 46.19 44.29 1nf3 s LEU 111 CO 0.00 0.08 0.16 -0.22 0.02 0.00 0.00 176.35 176.39 1nf3 s LEU 112 N -3.03 4.14 -0.27 1.79 2.96 -0.84 -0.72 118.68 122.72 1nf3 s LEU 112 Ca 0.27 0.15 0.00 0.00 -0.22 0.00 0.00 54.13 54.34 1nf3 s LEU 112 Cb -0.09 -2.11 0.05 0.00 0.50 0.00 0.00 46.19 44.54 1nf3 s LEU 112 CO 0.18 0.09 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.55 1nf3 s VAL 113 N 0.87 2.59 -0.05 1.68 1.01 0.10 -1.69 120.40 124.92 1nf3 s VAL 113 Ca 0.08 -1.39 -0.26 0.00 0.00 0.00 0.00 61.98 60.40 1nf3 s VAL 113 Cb -0.13 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 1nf3 s VAL 113 CO 0.03 0.02 0.82 -0.83 0.00 0.00 0.00 175.10 175.13 1nf3 s GLY 114 N 1.21 2.67 0.54 4.51 0.00 -0.13 -1.88 107.32 114.25 1nf3 s GLY 114 Ca -0.05 0.28 0.05 0.00 0.00 0.00 0.00 44.72 44.99 1nf3 s GLY 114 CO -0.04 1.43 0.35 -0.51 0.00 0.00 0.00 173.10 174.33 1nf3 s THR 115 N 1.02 1.55 -1.12 0.90 -4.23 -0.24 -1.20 115.64 112.33 1nf3 s THR 115 Ca 0.43 -1.56 -0.11 0.00 -1.18 0.00 0.00 61.69 59.27 1nf3 s THR 115 Cb -0.19 -2.11 0.10 0.00 1.34 0.00 0.00 72.50 71.64 1nf3 s THR 115 CO 0.21 0.00 0.39 0.00 -0.54 0.00 0.00 174.62 174.68 1nf3 n GLN 116 N -1.71 -2.53 0.11 3.99 6.02 -1.03 -2.16 117.38 120.07 1nf3 n GLN 116 Ca -0.04 0.27 0.08 0.00 -0.01 0.00 0.00 57.00 57.29 1nf3 n GLN 116 Cb 0.65 -4.89 0.41 0.00 1.02 0.00 0.00 30.24 27.43 1nf3 n GLN 116 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 1nf3 n ILE 117 N -3.60 1.27 0.09 5.09 -5.35 -1.02 -1.55 119.36 114.29 1nf3 n ILE 117 Ca 0.02 0.60 -0.03 0.00 -0.27 0.00 0.00 62.75 63.07 1nf3 n ILE 117 Cb 0.51 -1.58 0.18 0.00 -1.74 0.00 0.00 39.64 37.01 1nf3 n ILE 117 CO 0.00 0.00 0.00 -2.24 -1.76 0.00 0.00 176.55 172.55 1nf3 h ASP 118 N 0.00 0.26 0.44 7.28 2.03 -1.87 -2.77 116.42 121.79 1nf3 h ASP 118 Ca 0.00 -0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.18 1nf3 h ASP 118 Cb 0.05 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 38.48 1nf3 h ASP 118 CO 0.00 0.70 0.00 0.18 -1.03 0.00 0.00 179.24 179.09 1nf3 n LEU 119 N -3.97 0.00 0.12 0.15 4.77 -0.59 -3.52 117.00 113.95 1nf3 n LEU 119 Ca -0.02 0.30 0.08 0.00 -0.03 0.00 0.00 56.01 56.34 1nf3 n LEU 119 Cb 0.53 -0.30 0.44 0.00 -2.33 0.00 0.00 43.42 41.76 1nf3 n LEU 119 CO 0.43 -0.07 0.75 -1.14 -1.33 0.00 0.00 177.39 176.02 1nf3 n ARG 120 N -1.30 0.10 -1.59 3.23 0.63 -1.05 -1.72 116.66 114.97 1nf3 n ARG 120 Ca 0.10 0.60 0.01 0.00 -0.92 0.00 0.00 57.85 57.65 1nf3 n ARG 120 Cb 0.18 -1.84 0.07 0.00 0.45 0.00 0.00 32.46 31.32 1nf3 n ARG 120 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1nf3 n ASP 121 N -2.06 1.57 -4.50 6.15 5.75 -1.23 -4.91 116.55 117.32 1nf3 n ASP 121 Ca -0.01 -2.56 -0.42 0.00 -0.01 0.00 0.00 54.79 51.79 1nf3 n ASP 121 Cb 0.03 -0.39 -0.10 0.00 -1.03 0.00 0.00 41.12 39.64 1nf3 n ASP 121 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1nf3 s ASP 122 N -2.74 6.13 0.22 -1.12 2.15 -0.70 -4.99 116.67 115.62 1nf3 s ASP 122 Ca 0.35 -0.57 -0.19 0.00 0.43 0.00 0.00 52.55 52.56 1nf3 s ASP 122 Cb 0.37 -2.18 0.19 0.00 -0.30 0.00 0.00 42.92 41.01 1nf3 s ASP 122 CO -0.11 -0.40 1.53 -2.65 -0.17 0.00 0.00 175.17 173.37 1nf3 n PRO 123 N 5.29 -0.26 -0.24 4.34 -0.02 -1.26 0.02 135.00 142.86 1nf3 n PRO 123 Ca -0.10 1.51 0.03 0.00 -2.02 0.00 0.00 63.50 62.92 1nf3 n PRO 123 Cb 0.48 -2.24 0.15 0.00 -0.02 0.00 0.00 33.50 31.87 1nf3 n PRO 123 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1nf3 h SER 124 N 0.00 0.36 0.22 2.55 0.02 -1.97 0.33 113.55 115.06 1nf3 h SER 124 Ca 0.31 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.33 1nf3 h SER 124 Cb 0.56 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1nf3 h SER 124 CO -0.97 0.18 -0.11 0.74 -1.14 0.00 0.00 176.83 175.54 1nf3 h THR 125 N 0.51 0.85 0.00 -2.27 2.02 -0.73 -1.63 112.91 111.67 1nf3 h THR 125 Ca 0.37 -0.70 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 1nf3 h THR 125 Cb 0.46 1.24 -0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1nf3 h THR 125 CO -0.32 0.15 -0.16 0.40 0.37 0.00 0.00 175.52 175.95 1nf3 h ILE 126 N -0.67 0.95 0.06 3.11 2.04 -0.46 -1.83 117.51 120.70 1nf3 h ILE 126 Ca -0.03 -0.59 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 1nf3 h ILE 126 Cb 0.47 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 1nf3 h ILE 126 CO 0.05 0.16 -0.03 -0.08 0.00 0.00 0.00 178.15 178.25 1nf3 h GLU 127 N 0.00 -0.07 -0.71 2.37 4.57 -0.30 -1.70 114.58 118.74 1nf3 h GLU 127 Ca -0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1nf3 h GLU 127 Cb 0.32 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.89 1nf3 h GLU 127 CO 0.02 0.44 0.40 0.87 -1.18 0.00 0.00 179.01 179.57 1nf3 h LYS 128 N -0.64 0.97 0.26 1.92 1.57 -1.12 -1.03 116.57 118.50 1nf3 h LYS 128 Ca -0.01 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1nf3 h LYS 128 Cb 0.55 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1nf3 h LYS 128 CO 0.01 0.70 -0.12 -0.07 -0.57 0.00 0.00 179.45 179.40 1nf3 h LEU 129 N 0.98 -0.30 -1.45 2.94 3.38 -1.34 -2.88 115.31 116.64 1nf3 h LEU 129 Ca 0.25 -0.11 0.14 0.00 0.09 0.00 0.00 57.88 58.26 1nf3 h LEU 129 Cb 0.00 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 1nf3 h LEU 129 CO -0.04 -0.07 0.53 0.00 0.09 0.00 0.00 178.44 178.95 1nf3 h ALA 130 N 0.18 1.98 0.00 1.53 0.00 -0.90 0.20 119.26 122.24 1nf3 h ALA 130 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1nf3 h ALA 130 Cb 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1nf3 h ALA 130 CO 0.06 -0.19 0.00 1.63 0.00 0.00 0.00 179.25 180.75 1nf3 n LYS 131 N -4.51 0.13 0.00 0.00 4.76 -0.43 -0.04 118.16 118.07 1nf3 n LYS 131 Ca 0.15 0.20 0.00 0.00 -2.87 0.00 0.00 58.31 55.80 1nf3 n LYS 131 Cb 0.49 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.18 1nf3 n LYS 131 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1nf3 n ASN 132 N -1.30 1.34 -2.34 4.39 3.02 0.56 -5.00 115.26 115.93 1nf3 n ASN 132 Ca 0.05 -1.47 -0.16 0.00 -0.03 0.00 0.00 54.58 52.97 1nf3 n ASN 132 Cb 0.08 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.29 1nf3 n ASN 132 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1nf3 n LYS 133 N -0.23 -4.29 -4.53 3.52 3.00 0.94 -5.03 118.16 111.55 1nf3 n LYS 133 Ca 0.00 0.59 -0.27 0.00 -0.00 0.00 0.00 58.31 58.64 1nf3 n LYS 133 Cb 0.17 -4.83 -0.10 0.00 0.00 0.00 0.00 35.03 30.26 1nf3 n LYS 133 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1nf3 s GLN 134 N -5.58 1.93 0.07 1.64 -0.21 -0.42 -4.95 119.66 112.14 1nf3 s GLN 134 Ca 0.29 -1.98 -0.11 0.00 0.02 0.00 0.00 55.36 53.58 1nf3 s GLN 134 Cb -0.13 -1.72 0.01 0.00 1.00 0.00 0.00 33.01 32.17 1nf3 s GLN 134 CO 0.36 0.04 0.25 -1.59 -2.12 0.00 0.00 175.29 172.24 1nf3 s LYS 135 N -3.68 0.82 0.75 2.91 -2.85 -1.26 -2.96 119.74 113.47 1nf3 s LYS 135 Ca 0.34 -0.72 -0.16 0.00 -1.00 0.00 0.00 55.97 54.44 1nf3 s LYS 135 Cb 0.05 0.35 -0.02 0.00 -2.06 0.00 0.00 37.83 36.15 1nf3 s LYS 135 CO 0.18 -0.27 0.58 -2.30 0.10 0.00 0.00 175.35 173.64 1nf3 n PRO 136 N 0.28 0.25 -3.09 1.78 -0.02 -1.26 -4.80 135.00 128.15 1nf3 n PRO 136 Ca -0.17 0.13 -0.37 0.00 -2.02 0.00 0.00 63.50 61.06 1nf3 n PRO 136 Cb 0.61 -1.89 -0.06 0.00 -0.02 0.00 0.00 33.50 32.14 1nf3 n PRO 136 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1nf3 s ILE 137 N -1.96 4.53 0.22 4.25 1.09 0.15 -5.01 121.20 124.46 1nf3 s ILE 137 Ca 0.65 1.40 0.02 0.00 -1.10 0.00 0.00 60.65 61.62 1nf3 s ILE 137 Cb -0.33 -3.95 -0.04 0.00 -1.06 0.00 0.00 42.46 37.09 1nf3 s ILE 137 CO 0.58 0.35 0.38 0.42 -0.10 0.00 0.00 174.94 176.57 1nf3 s THR 138 N -1.36 5.23 0.36 2.92 -4.23 -1.26 -4.88 115.64 112.42 1nf3 s THR 138 Ca 0.39 -0.61 0.07 0.00 -1.18 0.00 0.00 61.69 60.36 1nf3 s THR 138 Cb -0.19 -3.78 0.30 0.00 1.34 0.00 0.00 72.50 70.17 1nf3 s THR 138 CO 0.22 -0.24 1.92 -0.65 -0.54 0.00 0.00 174.62 175.33 1nf3 h PRO 139 N 1.67 0.73 -0.19 3.99 0.11 -1.99 -1.21 132.00 135.11 1nf3 h PRO 139 Ca -0.49 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.58 1nf3 h PRO 139 Cb 1.20 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1nf3 h PRO 139 CO 0.66 0.48 0.11 1.05 -0.21 0.00 0.00 178.00 180.09 1nf3 h GLU 140 N 0.75 0.23 -0.42 1.05 4.11 -1.98 0.30 114.58 118.62 1nf3 h GLU 140 Ca 0.37 -0.01 -0.09 0.00 0.07 0.00 0.00 59.36 59.69 1nf3 h GLU 140 Cb 0.44 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1nf3 h GLU 140 CO -0.14 0.15 -0.11 1.79 0.07 0.00 0.00 179.01 180.77 1nf3 h THR 141 N 0.23 1.27 -0.26 -1.06 1.35 -1.82 -1.94 112.91 110.68 1nf3 h THR 141 Ca 0.07 -1.21 -0.01 0.00 -0.55 0.00 0.00 66.41 64.71 1nf3 h THR 141 Cb -0.01 1.20 -0.01 0.00 -1.73 0.00 0.00 68.15 67.60 1nf3 h THR 141 CO -0.03 0.41 0.13 0.00 -0.25 0.00 0.00 175.52 175.78 1nf3 h ALA 142 N 0.85 0.34 -0.74 6.62 0.00 -0.95 -1.92 119.26 123.46 1nf3 h ALA 142 Ca 0.10 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1nf3 h ALA 142 Cb 0.64 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1nf3 h ALA 142 CO 0.04 -0.11 0.49 0.93 0.00 0.00 0.00 179.25 180.60 1nf3 h GLU 143 N 0.30 0.85 -0.19 0.00 5.08 -0.33 0.28 114.58 120.57 1nf3 h GLU 143 Ca 0.09 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.28 1nf3 h GLU 143 Cb 0.10 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1nf3 h GLU 143 CO -0.01 0.56 -0.38 -0.22 -1.00 0.00 0.00 179.01 177.95 1nf3 h LYS 144 N 0.87 0.43 -0.46 2.33 3.64 -0.92 -1.46 116.57 121.00 1nf3 h LYS 144 Ca 0.30 -0.20 -0.14 0.00 -1.27 0.00 0.00 60.65 59.34 1nf3 h LYS 144 Cb 0.11 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1nf3 h LYS 144 CO -0.09 0.75 -0.26 1.25 -2.27 0.00 0.00 179.45 178.83 1nf3 h LEU 145 N 0.36 1.01 0.04 5.20 5.85 -0.37 0.17 115.31 127.57 1nf3 h LEU 145 Ca 0.04 -0.40 0.02 0.00 0.84 0.00 0.00 57.88 58.38 1nf3 h LEU 145 Cb 0.84 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1nf3 h LEU 145 CO 0.07 1.20 -0.21 0.00 -0.34 0.00 0.00 178.44 179.16 1nf3 h ALA 146 N 0.86 -0.29 0.17 1.25 0.00 -0.67 0.91 119.26 121.48 1nf3 h ALA 146 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1nf3 h ALA 146 Cb 0.84 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1nf3 h ALA 146 CO 0.07 -0.71 -0.33 0.00 0.00 0.00 0.00 179.25 178.28 1nf3 h ARG 147 N -0.35 -0.52 -0.94 0.00 3.08 -1.08 -1.13 114.38 113.44 1nf3 h ARG 147 Ca 0.05 0.04 0.23 0.00 0.07 0.00 0.00 59.98 60.37 1nf3 h ARG 147 Cb 0.41 0.12 -0.13 0.00 0.08 0.00 0.00 29.97 30.45 1nf3 h ARG 147 CO -0.17 -0.35 0.48 -0.44 -1.07 0.00 0.00 179.97 178.42 1nf3 h ASP 148 N -0.54 0.47 -0.23 7.04 3.45 -0.71 -1.55 116.42 124.34 1nf3 h ASP 148 Ca -0.02 0.15 0.00 0.00 0.43 0.00 0.00 57.03 57.59 1nf3 h ASP 148 Cb 0.51 0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.37 1nf3 h ASP 148 CO -0.13 0.03 0.00 0.18 -1.57 0.00 0.00 179.24 177.75 1nf3 n LEU 149 N -4.99 1.75 -2.06 1.55 4.77 0.29 -4.95 117.00 113.36 1nf3 n LEU 149 Ca 0.24 -0.79 -0.12 0.00 -0.03 0.00 0.00 56.01 55.31 1nf3 n LEU 149 Cb 0.70 -0.15 0.04 0.00 -2.33 0.00 0.00 43.42 41.68 1nf3 n LEU 149 CO 0.14 0.39 0.13 0.29 -1.33 0.00 0.00 177.39 177.01 1nf3 n LYS 150 N 0.40 -4.04 -2.88 3.23 5.02 -0.58 -5.04 118.16 114.26 1nf3 n LYS 150 Ca 0.15 0.42 -0.30 0.00 -2.02 0.00 0.00 58.31 56.55 1nf3 n LYS 150 Cb 0.32 -4.21 -0.03 0.00 -0.02 0.00 0.00 35.03 31.09 1nf3 n LYS 150 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nf3 s ALA 151 N -3.16 3.37 0.14 7.82 0.00 -0.50 -4.79 121.76 124.64 1nf3 s ALA 151 Ca 0.30 -0.23 -0.17 0.00 0.00 0.00 0.00 51.96 51.85 1nf3 s ALA 151 Cb -0.13 -2.67 -0.00 0.00 0.00 0.00 0.00 23.12 20.31 1nf3 s ALA 151 CO 0.37 -0.00 1.78 0.28 0.00 0.00 0.00 175.76 178.19 1nf3 h VAL 152 N 1.09 1.02 -2.31 0.00 2.07 -1.45 -3.44 116.25 113.23 1nf3 h VAL 152 Ca -0.47 -0.12 0.24 0.00 0.82 0.00 0.00 66.70 67.17 1nf3 h VAL 152 Cb 1.19 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 1nf3 h VAL 152 CO 0.64 0.07 0.72 -1.59 0.02 0.00 0.00 177.57 177.43 1nf3 s LYS 153 N -6.17 0.89 -0.07 1.57 -2.85 -1.26 -5.06 119.74 106.80 1nf3 s LYS 153 Ca -0.13 -0.57 0.04 0.00 -1.00 0.00 0.00 55.97 54.31 1nf3 s LYS 153 Cb 0.10 0.25 -0.02 0.00 -2.06 0.00 0.00 37.83 36.10 1nf3 s LYS 153 CO 0.71 -0.42 -0.17 -0.47 0.10 0.00 0.00 175.35 175.10 1nf3 s TYR 154 N -2.16 2.64 0.02 1.78 5.04 -1.26 -1.99 117.35 121.42 1nf3 s TYR 154 Ca 0.24 -0.39 -0.02 0.00 -2.44 0.00 0.00 57.07 54.46 1nf3 s TYR 154 Cb -0.01 -1.66 -0.01 0.00 0.35 0.00 0.00 41.96 40.62 1nf3 s TYR 154 CO 0.02 0.01 0.02 0.14 -1.34 0.00 0.00 175.55 174.40 1nf3 s VAL 155 N -0.38 0.11 0.09 3.14 -7.23 -0.68 -4.97 120.40 110.47 1nf3 s VAL 155 Ca 0.04 -0.87 0.02 0.00 -1.81 0.00 0.00 61.98 59.36 1nf3 s VAL 155 Cb -0.12 -0.35 -0.04 0.00 0.56 0.00 0.00 36.38 36.43 1nf3 s VAL 155 CO 0.02 -0.48 -0.07 -1.83 -0.31 0.00 0.00 175.10 172.43 1nf3 s GLU 156 N -1.52 0.78 0.25 4.82 -1.05 -1.26 -0.96 118.70 119.75 1nf3 s GLU 156 Ca -0.15 -1.19 -0.18 0.00 -0.15 0.00 0.00 54.97 53.30 1nf3 s GLU 156 Cb -0.09 -0.27 0.07 0.00 -0.44 0.00 0.00 34.13 33.40 1nf3 s GLU 156 CO -0.01 0.01 0.88 0.00 0.95 0.00 0.00 175.26 177.10 1nf3 s SER 158 N -3.16 2.30 0.54 0.00 0.15 -0.86 -2.43 113.70 110.24 1nf3 s SER 158 Ca 0.19 -0.53 0.36 0.00 0.70 0.00 0.00 55.95 56.67 1nf3 s SER 158 Cb -0.03 -0.38 1.80 0.00 -1.71 0.00 0.00 66.02 65.69 1nf3 s SER 158 CO 0.07 -0.30 2.09 0.00 1.20 0.00 0.00 173.24 176.30 1nf3 h ALA 159 N 8.35 1.00 0.06 5.45 0.00 -1.89 0.54 119.26 132.77 1nf3 h ALA 159 Ca -0.16 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1nf3 h ALA 159 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1nf3 h ALA 159 CO 0.29 0.00 -0.03 1.25 0.00 0.00 0.00 179.25 180.76 1nf3 h LEU 160 N 0.00 -0.07 0.00 0.00 5.85 -1.94 -3.34 115.31 115.81 1nf3 h LEU 160 Ca 0.00 -0.58 0.00 0.00 0.84 0.00 0.00 57.88 58.14 1nf3 h LEU 160 Cb 0.18 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1nf3 h LEU 160 CO 0.00 0.63 -0.75 0.35 -0.34 0.00 0.00 178.44 178.33 1nf3 n THR 161 N -4.79 0.01 -0.91 1.05 -2.24 -1.15 -4.94 114.28 101.31 1nf3 n THR 161 Ca -0.08 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1nf3 n THR 161 Cb 0.31 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 1nf3 n THR 161 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nf3 n GLN 162 N -1.54 -0.49 -1.69 -0.78 6.02 0.19 -4.95 117.38 114.14 1nf3 n GLN 162 Ca 0.05 0.12 -0.42 0.00 -0.01 0.00 0.00 57.00 56.74 1nf3 n GLN 162 Cb 0.34 -3.63 -0.03 0.00 1.02 0.00 0.00 30.24 27.94 1nf3 n GLN 162 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1nf3 s LYS 163 N -0.66 3.94 0.00 -1.09 2.20 -1.20 -1.48 119.74 121.44 1nf3 s LYS 163 Ca 0.00 2.45 0.00 0.00 -0.36 0.00 0.00 55.97 58.06 1nf3 s LYS 163 Cb 0.00 -4.19 0.00 0.00 -1.51 0.00 0.00 37.83 32.13 1nf3 s LYS 163 CO 0.00 -1.19 0.00 0.41 -0.36 0.00 0.00 175.35 174.21 1nf3 n GLY 164 N 4.76 0.67 0.08 5.54 0.00 -1.26 -2.03 105.19 112.95 1nf3 n GLY 164 Ca 0.22 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 1nf3 n GLY 164 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1nf3 h LEU 165 N 0.00 0.13 -0.83 0.99 5.85 -1.54 -2.69 115.31 117.22 1nf3 h LEU 165 Ca 0.00 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.47 1nf3 h LEU 165 Cb 0.06 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1nf3 h LEU 165 CO 0.00 0.28 0.13 0.50 -0.34 0.00 0.00 178.44 179.01 1nf3 h LYS 166 N -0.03 1.00 0.00 1.25 3.64 -1.92 -2.83 116.57 117.68 1nf3 h LYS 166 Ca 0.03 -0.24 -0.03 0.00 -1.27 0.00 0.00 60.65 59.15 1nf3 h LYS 166 Cb 0.19 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1nf3 h LYS 166 CO -0.00 0.90 -0.13 -0.97 -2.27 0.00 0.00 179.45 176.99 1nf3 h ASN 167 N 0.95 0.00 0.19 4.20 -0.73 -1.91 0.12 115.58 118.39 1nf3 h ASN 167 Ca 0.20 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.36 1nf3 h ASN 167 Cb 0.37 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.96 1nf3 h ASN 167 CO 0.00 0.13 -0.09 0.58 -0.37 0.00 0.00 177.43 177.68 1nf3 h VAL 168 N 0.00 0.91 -0.30 2.57 2.07 -1.22 -1.56 116.25 118.72 1nf3 h VAL 168 Ca -0.00 -0.55 -0.08 0.00 0.82 0.00 0.00 66.70 66.88 1nf3 h VAL 168 Cb 0.25 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1nf3 h VAL 168 CO 0.02 0.13 -0.17 -0.26 0.02 0.00 0.00 177.57 177.31 1nf3 h PHE 169 N -0.53 0.58 -0.28 1.57 -1.00 -1.46 -1.00 116.94 114.82 1nf3 h PHE 169 Ca -0.03 -0.10 0.01 0.00 2.81 0.00 0.00 57.97 60.66 1nf3 h PHE 169 Cb 0.40 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 39.79 1nf3 h PHE 169 CO 0.01 0.67 0.16 -0.44 -1.61 0.00 0.00 178.31 177.10 1nf3 h ASP 170 N 0.48 0.26 -0.59 2.17 5.19 -0.75 0.47 116.42 123.65 1nf3 h ASP 170 Ca 0.08 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.43 1nf3 h ASP 170 Cb 0.57 -0.05 -0.03 0.00 0.18 0.00 0.00 39.33 40.00 1nf3 h ASP 170 CO 0.04 0.19 0.13 -0.33 -3.12 0.00 0.00 179.24 176.15 1nf3 h GLU 171 N 0.33 0.99 0.07 3.56 4.39 -0.91 -0.39 114.58 122.62 1nf3 h GLU 171 Ca 0.11 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 1nf3 h GLU 171 Cb 0.00 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1nf3 h GLU 171 CO -0.05 0.90 -0.03 0.00 -1.16 0.00 0.00 179.01 178.66 1nf3 h ALA 172 N 1.19 -0.09 -0.26 3.43 0.00 -0.71 0.35 119.26 123.17 1nf3 h ALA 172 Ca 0.20 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1nf3 h ALA 172 Cb 0.37 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1nf3 h ALA 172 CO 0.00 -0.54 -0.13 0.82 0.00 0.00 0.00 179.25 179.40 1nf3 h ILE 173 N -0.11 0.60 -1.01 0.00 2.04 -0.62 -1.05 117.51 117.37 1nf3 h ILE 173 Ca -0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.87 1nf3 h ILE 173 Cb 0.09 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 1nf3 h ILE 173 CO 0.02 0.00 0.66 -0.07 0.00 0.00 0.00 178.15 178.76 1nf3 h LEU 174 N -0.09 1.13 -1.76 1.44 3.38 -0.58 -0.76 115.31 118.08 1nf3 h LEU 174 Ca 0.14 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1nf3 h LEU 174 Cb 0.30 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1nf3 h LEU 174 CO -0.32 0.79 0.09 0.00 0.09 0.00 0.00 178.44 179.09 1nf3 h ALA 175 N 1.39 1.82 0.00 1.53 0.00 0.91 -0.67 119.26 124.24 1nf3 h ALA 175 Ca 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1nf3 h ALA 175 Cb -0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1nf3 h ALA 175 CO -0.10 0.16 -0.17 0.00 0.00 0.00 0.00 179.25 179.13 1nf3 h ALA 176 N 1.85 0.90 0.00 0.00 0.00 -0.17 -3.39 119.26 118.45 1nf3 h ALA 176 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.76 1nf3 h ALA 176 Cb 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1nf3 h ALA 176 CO -0.01 0.00 -1.83 1.28 0.00 0.00 0.00 179.25 178.69 1nf3 n LEU 177 N -2.62 1.00 -0.12 0.00 4.77 -0.62 -4.83 117.00 114.57 1nf3 n LEU 177 Ca 0.04 -0.03 -0.12 0.00 -0.03 0.00 0.00 56.01 55.88 1nf3 n LEU 177 Cb 0.48 0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.59 1nf3 n LEU 177 CO 0.33 0.45 0.61 -0.33 -1.33 0.00 0.00 177.39 177.12 1nf3 h GLU 178 N 0.00 0.92 -6.32 3.23 5.08 -1.36 -3.46 114.58 112.67 1nf3 h GLU 178 Ca -0.33 -0.44 -0.64 0.00 -1.00 0.00 0.00 59.36 56.95 1nf3 h GLU 178 Cb 1.66 -0.01 0.10 0.00 0.50 0.00 0.00 28.75 31.00 1nf3 h GLU 178 CO -0.01 1.10 0.05 -2.30 -1.00 0.00 0.00 179.01 176.85 1nf3 n PRO 179 N -4.08 0.98 -0.19 2.33 -0.02 -1.26 -4.86 135.00 127.91 1nf3 n PRO 179 Ca -0.01 0.35 -0.02 0.00 -2.02 0.00 0.00 63.50 61.79 1nf3 n PRO 179 Cb 0.51 -1.69 0.08 0.00 -0.02 0.00 0.00 33.50 32.37 1nf3 n PRO 179 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1nf3 h PRO 180 N 2.30 0.47 -7.26 0.52 0.11 -2.01 -3.44 132.00 122.70 1nf3 h PRO 180 Ca -0.39 -0.03 -0.49 0.00 0.11 0.00 0.00 66.00 65.20 1nf3 h PRO 180 Cb 1.36 -0.11 0.18 0.00 0.11 0.00 0.00 31.00 32.55 1nf3 h PRO 180 CO 0.63 0.31 0.19 -1.83 -0.21 0.00 0.00 178.00 177.09 1nf3 s GLU 181 N -6.11 0.71 0.60 1.05 1.03 -1.26 -4.95 118.70 109.77 1nf3 s GLU 181 Ca -0.13 1.21 -0.19 0.00 0.03 0.00 0.00 54.97 55.89 1nf3 s GLU 181 Cb 0.15 -1.72 -0.04 0.00 -0.80 0.00 0.00 34.13 31.73 1nf3 s GLU 181 CO 0.74 -2.73 1.16 -2.30 -1.33 0.00 0.00 175.26 170.80 1nf3 n PRO 182 N -4.27 1.13 -0.33 -4.83 -0.02 -1.26 -4.90 135.00 120.53 1nf3 n PRO 182 Ca 0.08 0.43 -0.04 0.00 -2.02 0.00 0.00 63.50 61.96 1nf3 n PRO 182 Cb 0.53 -2.37 0.10 0.00 -0.02 0.00 0.00 33.50 31.74 1nf3 n PRO 182 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1nf3 h LYS 183 N 0.71 1.25 -0.97 -0.52 1.57 -1.90 -1.79 116.57 114.91 1nf3 h LYS 183 Ca -0.50 -0.15 0.25 0.00 -1.87 0.00 0.00 60.65 58.39 1nf3 h LYS 183 Cb 1.34 -0.24 -0.07 0.00 0.08 0.00 0.00 32.23 33.34 1nf3 h LYS 183 CO 0.53 0.91 0.66 -0.22 -0.57 0.00 0.00 179.45 180.76 1nf3 h LYS 184 N 1.25 0.26 -0.78 3.15 3.64 -1.95 -0.43 116.57 121.72 1nf3 h LYS 184 Ca 0.32 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.64 1nf3 h LYS 184 Cb 0.03 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1nf3 h LYS 184 CO -0.05 0.17 0.31 0.77 -2.27 0.00 0.00 179.45 178.38 1nf3 h SER 185 N 0.27 1.07 1.11 4.20 0.02 -1.68 -3.13 113.55 115.41 1nf3 h SER 185 Ca 0.51 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1nf3 h SER 185 Cb 1.52 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1nf3 h SER 185 CO -0.15 0.95 -0.84 0.03 -1.14 0.00 0.00 176.83 175.67 1nf3 h ARG 186 N 1.12 0.00 -6.61 3.45 3.08 -1.18 -3.47 114.38 110.77 1nf3 h ARG 186 Ca 0.26 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.79 1nf3 h ARG 186 Cb 0.21 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.30 1nf3 h ARG 186 CO -0.02 0.00 0.92 0.50 -1.07 0.00 0.00 179.97 180.30 1nf3 s ARG 187 N -3.33 4.19 0.27 0.04 3.52 -0.71 -3.32 118.95 119.62 1nf3 s ARG 187 Ca 0.01 2.42 -0.31 0.00 -0.13 0.00 0.00 55.73 57.72 1nf3 s ARG 187 Cb 0.09 -3.16 -0.12 0.00 -1.56 0.00 0.00 34.95 30.21 1nf3 s ARG 187 CO 0.77 -0.65 1.65 0.00 -0.81 0.00 0.00 175.30 176.26 1nf3 s VAL 189 N 0.41 2.47 0.00 0.00 -7.23 -1.26 -0.38 120.40 114.41 1nf3 s VAL 189 Ca 0.68 -2.17 0.00 0.00 -1.81 0.00 0.00 61.98 58.68 1nf3 s VAL 189 Cb -0.49 -2.74 0.00 0.00 0.56 0.00 0.00 36.38 33.71 1nf3 s VAL 189 CO 0.43 -0.52 0.35 0.18 -0.31 0.00 0.00 175.10 175.23