#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 1.24 -1.90 4.61 0.00 -2.04 -3.45 119.26 117.71 1nf3 h ALA -4 Ca 0.00 -0.07 -0.62 0.00 0.00 0.00 0.00 54.91 54.22 1nf3 h ALA -4 Cb 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 17.64 1nf3 h ALA -4 CO 0.00 0.09 -0.67 0.00 0.00 0.00 0.00 179.25 178.67 1nf3 s MET -3 N -4.18 1.84 -0.24 0.00 0.00 -1.26 -5.15 119.30 110.32 1nf3 s MET -3 Ca -0.03 -1.96 -0.23 0.00 0.00 0.00 0.00 55.69 53.47 1nf3 s MET -3 Cb 0.13 -1.70 0.06 0.00 0.00 0.00 0.00 34.83 33.32 1nf3 s MET -3 CO 0.55 0.12 0.65 0.20 0.00 0.00 0.00 175.02 176.54 1nf3 s GLY -2 N -3.63 -0.49 0.00 3.16 0.00 -1.26 -4.67 107.32 100.44 1nf3 s GLY -2 Ca 0.33 1.82 0.28 0.00 0.00 0.00 0.00 44.72 47.15 1nf3 s GLY -2 CO 0.17 1.56 1.79 0.29 0.00 0.00 0.00 173.10 176.91 1nf3 n ILE -1 N 2.67 0.00 -3.60 0.90 -5.35 0.21 -4.83 119.36 109.36 1nf3 n ILE -1 Ca -0.14 -0.03 -0.15 0.00 -0.27 0.00 0.00 62.75 62.17 1nf3 n ILE -1 Cb 0.56 -0.16 -0.07 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 -2.75 0.86 -0.23 6.28 2.00 -1.26 -5.06 119.66 119.50 1nf3 s GLN 2 Ca 0.21 0.75 -0.06 0.00 -2.00 0.00 0.00 55.36 54.25 1nf3 s GLN 2 Cb 0.19 0.42 -0.02 0.00 0.80 0.00 0.00 33.01 34.39 1nf3 s GLN 2 CO 0.54 -0.16 0.03 0.99 -0.50 0.00 0.00 175.29 176.19 1nf3 s THR 3 N -0.09 4.06 -0.25 -0.34 2.01 -1.26 -0.94 115.64 118.84 1nf3 s THR 3 Ca -0.03 -0.26 -0.06 0.00 0.31 0.00 0.00 61.69 61.65 1nf3 s THR 3 Cb -0.04 -2.87 -0.02 0.00 0.01 0.00 0.00 72.50 69.59 1nf3 s THR 3 CO 0.03 0.38 0.03 -0.63 -0.69 0.00 0.00 174.62 173.74 1nf3 s ILE 4 N 1.38 3.90 -0.34 1.82 1.01 0.75 -4.98 121.20 124.74 1nf3 s ILE 4 Ca 0.05 -0.37 -0.16 0.00 0.00 0.00 0.00 60.65 60.16 1nf3 s ILE 4 Cb -0.15 -2.84 -0.01 0.00 0.01 0.00 0.00 42.46 39.47 1nf3 s ILE 4 CO 0.02 0.33 0.41 -0.75 0.00 0.00 0.00 174.94 174.95 1nf3 s LYS 5 N 1.55 3.60 -0.22 2.79 2.20 -1.26 -1.00 119.74 127.40 1nf3 s LYS 5 Ca 0.06 -0.32 -0.02 0.00 -0.36 0.00 0.00 55.97 55.33 1nf3 s LYS 5 Cb -0.15 -3.80 0.01 0.00 -1.51 0.00 0.00 37.83 32.38 1nf3 s LYS 5 CO 0.01 -0.55 -0.09 0.00 -0.36 0.00 0.00 175.35 174.36 1nf3 s VAL 7 N 1.38 4.38 -0.20 0.00 1.01 -0.96 -0.65 120.40 125.36 1nf3 s VAL 7 Ca 0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 1nf3 s VAL 7 Cb -0.15 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 1nf3 s VAL 7 CO -0.06 0.53 -0.05 -0.69 0.00 0.00 0.00 175.10 174.83 1nf3 s VAL 8 N -0.18 3.36 0.26 2.92 1.01 -0.09 -1.35 120.40 126.34 1nf3 s VAL 8 Ca 0.05 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.59 1nf3 s VAL 8 Cb -0.12 -2.51 -0.06 0.00 0.00 0.00 0.00 36.38 33.69 1nf3 s VAL 8 CO 0.02 0.44 -0.06 0.68 0.00 0.00 0.00 175.10 176.18 1nf3 s VAL 9 N 1.24 1.59 0.00 2.92 -7.23 -0.56 -3.14 120.40 115.22 1nf3 s VAL 9 Ca 0.03 -2.13 0.00 0.00 -1.81 0.00 0.00 61.98 58.07 1nf3 s VAL 9 Cb -0.14 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.41 1nf3 s VAL 9 CO -0.02 -0.34 0.00 0.61 -0.31 0.00 0.00 175.10 175.04 1nf3 n GLY 10 N -0.54 3.83 3.21 2.32 0.00 -1.26 0.30 105.19 113.05 1nf3 n GLY 10 Ca -0.06 -1.28 -0.36 0.00 0.00 0.00 0.00 46.02 44.32 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 -3.95 -4.76 1.61 9.92 -1.25 -3.98 116.55 114.14 1nf3 n ASP 11 Ca 0.00 0.38 -0.39 0.00 -0.53 0.00 0.00 54.79 54.25 1nf3 n ASP 11 Cb 0.00 -0.95 0.02 0.00 -0.64 0.00 0.00 41.12 39.56 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 -1.28 2.89 -0.02 0.44 0.00 -1.17 -2.85 107.32 105.33 1nf3 s GLY 12 Ca 0.51 1.33 0.00 0.00 0.00 0.00 0.00 44.72 46.56 1nf3 s GLY 12 CO 0.72 1.88 0.00 0.00 0.00 0.00 0.00 173.10 175.71 1nf3 n ALA 13 N -0.54 -0.00 0.44 3.20 0.00 -1.26 -4.87 120.51 117.47 1nf3 n ALA 13 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.63 1nf3 n ALA 13 Cb 0.44 -1.11 0.46 0.00 0.00 0.00 0.00 19.45 19.24 1nf3 n ALA 13 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1nf3 n VAL 14 N -2.27 0.83 0.00 0.00 0.24 -1.13 -4.86 118.33 111.13 1nf3 n VAL 14 Ca -0.00 0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.49 1nf3 n VAL 14 Cb 0.37 -1.09 0.00 0.00 -1.47 0.00 0.00 33.84 31.65 1nf3 n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nf3 n GLY 15 N 0.11 1.48 0.23 7.63 0.00 -1.26 -4.41 105.19 108.96 1nf3 n GLY 15 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 0.67 -0.27 -0.38 1.61 1.57 -1.90 0.28 116.57 118.14 1nf3 h LYS 16 Ca 0.00 0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1nf3 h LYS 16 Cb 0.00 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1nf3 h LYS 16 CO 0.00 -0.18 0.01 1.15 -0.57 0.00 0.00 179.45 179.86 1nf3 h THR 17 N -0.28 1.26 -0.83 -0.16 2.02 -1.96 -2.12 112.91 110.84 1nf3 h THR 17 Ca 0.07 -0.98 -0.02 0.00 0.77 0.00 0.00 66.41 66.25 1nf3 h THR 17 Cb 0.38 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 1nf3 h THR 17 CO -0.22 0.33 0.43 0.00 0.37 0.00 0.00 175.52 176.43 1nf3 h LEU 19 N 1.17 -0.65 -0.42 0.00 6.46 -0.74 0.43 115.31 121.57 1nf3 h LEU 19 Ca 0.29 0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 58.12 1nf3 h LEU 19 Cb 0.07 0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.25 1nf3 h LEU 19 CO -0.04 -0.29 0.17 -0.07 -0.62 0.00 0.00 178.44 177.59 1nf3 h LEU 20 N -0.34 0.58 -0.63 2.25 3.38 -0.82 -1.66 115.31 118.06 1nf3 h LEU 20 Ca 0.06 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 1nf3 h LEU 20 Cb 0.43 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1nf3 h LEU 20 CO -0.21 0.59 -0.42 0.40 0.09 0.00 0.00 178.44 178.89 1nf3 h ILE 21 N 0.53 1.30 -0.36 1.22 1.08 -0.51 -1.74 117.51 119.04 1nf3 h ILE 21 Ca 0.14 -1.60 -0.05 0.00 -0.39 0.00 0.00 64.86 62.95 1nf3 h ILE 21 Cb 0.19 1.58 -0.01 0.00 -3.07 0.00 0.00 36.82 35.51 1nf3 h ILE 21 CO -0.01 0.51 0.03 -1.28 -0.69 0.00 0.00 178.15 176.70 1nf3 h SER 22 N 0.48 0.60 -0.08 1.72 0.87 0.08 -0.88 113.55 116.33 1nf3 h SER 22 Ca 0.04 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.30 1nf3 h SER 22 Cb 0.94 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.73 1nf3 h SER 22 CO 0.08 0.74 0.02 0.22 -0.53 0.00 0.00 176.83 177.36 1nf3 h TYR 23 N 0.44 0.14 0.03 2.24 3.20 -1.17 -0.25 116.97 121.59 1nf3 h TYR 23 Ca 0.10 -0.02 -0.22 0.00 3.14 0.00 0.00 58.73 61.74 1nf3 h TYR 23 Cb 0.41 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1nf3 h TYR 23 CO 0.03 0.31 -0.98 1.79 -1.64 0.00 0.00 178.16 177.67 1nf3 h THR 24 N -0.08 1.50 0.00 1.81 1.35 -1.33 -3.38 112.91 112.79 1nf3 h THR 24 Ca 0.03 -2.77 0.00 0.00 -0.55 0.00 0.00 66.41 63.11 1nf3 h THR 24 Cb 0.24 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.27 1nf3 h THR 24 CO 0.00 0.81 0.00 0.35 -0.25 0.00 0.00 175.52 176.43 1nf3 n THR 25 N -3.61 0.00 -1.52 6.82 -2.24 -0.34 -4.99 114.28 108.40 1nf3 n THR 25 Ca -0.05 -0.45 -0.16 0.00 -2.27 0.00 0.00 64.05 61.12 1nf3 n THR 25 Cb 0.87 1.08 -0.07 0.00 -2.10 0.00 0.00 70.33 70.12 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 -0.18 -4.96 -4.53 3.42 3.02 -0.11 -4.99 115.26 106.93 1nf3 n ASN 26 Ca 0.00 0.38 -0.31 0.00 -0.03 0.00 0.00 54.58 54.62 1nf3 n ASN 26 Cb 0.02 -3.90 -0.11 0.00 -0.61 0.00 0.00 39.78 35.17 1nf3 n ASN 26 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1nf3 s LYS 27 N -3.45 2.27 -0.41 3.52 1.02 -1.24 -4.97 119.74 116.48 1nf3 s LYS 27 Ca 0.00 -0.88 -0.05 0.00 0.02 0.00 0.00 55.97 55.05 1nf3 s LYS 27 Cb 0.00 -2.33 0.10 0.00 -0.52 0.00 0.00 37.83 35.08 1nf3 s LYS 27 CO 0.00 0.56 0.21 0.12 -0.92 0.00 0.00 175.35 175.32 1nf3 s PHE 28 N -1.00 3.46 0.22 3.18 5.36 -1.26 -2.69 117.98 125.26 1nf3 s PHE 28 Ca 0.17 -2.05 -0.27 0.00 -0.96 0.00 0.00 56.93 53.81 1nf3 s PHE 28 Cb -0.11 -3.06 -0.17 0.00 -0.34 0.00 0.00 43.02 39.35 1nf3 s PHE 28 CO 0.07 -0.92 0.53 -2.30 -1.46 0.00 0.00 175.22 171.14 1nf3 n PRO 29 N 4.72 0.11 0.00 10.12 -0.02 -1.26 -4.94 135.00 143.73 1nf3 n PRO 29 Ca -0.06 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 1nf3 n PRO 29 Cb 0.42 -1.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.83 1nf3 n PRO 29 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1nf3 n SER 30 N 1.95 0.00 -4.92 2.55 2.88 -1.26 -4.90 113.62 109.92 1nf3 n SER 30 Ca 0.17 0.05 -0.27 0.00 -1.33 0.00 0.00 58.87 57.49 1nf3 n SER 30 Cb 0.27 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.70 1nf3 n SER 30 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1nf3 s GLU 31 N -0.11 3.54 -0.02 -1.46 2.56 -1.26 -5.05 118.70 116.91 1nf3 s GLU 31 Ca 0.00 -0.25 -0.30 0.00 0.00 0.00 0.00 54.97 54.42 1nf3 s GLU 31 Cb 0.00 -2.75 -0.05 0.00 2.00 0.00 0.00 34.13 33.32 1nf3 s GLU 31 CO 0.00 0.30 1.43 -0.47 -0.56 0.00 0.00 175.26 175.96 1nf3 s TYR 32 N -2.01 2.73 -0.14 5.30 5.04 -1.26 -5.02 117.35 121.99 1nf3 s TYR 32 Ca 0.40 0.74 -0.00 0.00 -2.44 0.00 0.00 57.07 55.77 1nf3 s TYR 32 Cb -0.11 -3.69 0.03 0.00 0.35 0.00 0.00 41.96 38.55 1nf3 s TYR 32 CO 0.30 -2.59 -0.06 0.08 -1.34 0.00 0.00 175.55 171.94 1nf3 s VAL 33 N 2.71 1.08 0.39 3.14 1.01 -1.26 -5.12 120.40 122.34 1nf3 s VAL 33 Ca 0.64 -0.48 -0.27 0.00 0.00 0.00 0.00 61.98 61.87 1nf3 s VAL 33 Cb -0.31 -1.18 -0.11 0.00 0.00 0.00 0.00 36.38 34.78 1nf3 s VAL 33 CO 0.26 0.24 1.42 -2.65 0.00 0.00 0.00 175.10 174.36 1nf3 n PRO 34 N 4.90 2.43 -3.18 2.72 -0.02 -1.26 -4.97 135.00 135.62 1nf3 n PRO 34 Ca -0.12 0.86 -0.38 0.00 -2.02 0.00 0.00 63.50 61.83 1nf3 n PRO 34 Cb 0.49 -2.57 -0.06 0.00 -0.02 0.00 0.00 33.50 31.34 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 -1.13 4.63 -0.14 3.45 2.01 -1.26 -4.98 115.64 118.22 1nf3 s THR 35 Ca 0.56 1.30 -0.11 0.00 0.31 0.00 0.00 61.69 63.74 1nf3 s THR 35 Cb -0.49 -3.93 -0.06 0.00 0.01 0.00 0.00 72.50 68.03 1nf3 s THR 35 CO 0.62 0.44 -0.24 0.52 -0.69 0.00 0.00 174.62 175.27 1nf3 n VAL 36 N 1.38 1.26 -3.51 3.82 0.31 -1.26 -3.82 118.33 116.51 1nf3 n VAL 36 Ca -0.07 0.01 -0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1nf3 n VAL 36 Cb 0.50 -1.96 -0.05 0.00 -0.91 0.00 0.00 33.84 31.43 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 -2.51 -0.77 -0.04 3.52 5.36 -1.26 -3.71 117.98 118.56 1nf3 s PHE 37 Ca -0.23 1.39 -0.03 0.00 -0.96 0.00 0.00 56.93 57.11 1nf3 s PHE 37 Cb 0.06 0.46 0.02 0.00 -0.34 0.00 0.00 43.02 43.23 1nf3 s PHE 37 CO 0.31 -0.38 0.10 -0.51 -1.46 0.00 0.00 175.22 173.28 1nf3 s ASP 38 N 2.19 -0.08 -0.08 6.13 1.01 -0.97 -5.03 116.67 119.84 1nf3 s ASP 38 Ca -0.05 0.21 0.02 0.00 0.71 0.00 0.00 52.55 53.44 1nf3 s ASP 38 Cb -0.06 0.16 0.01 0.00 1.01 0.00 0.00 42.92 44.04 1nf3 s ASP 38 CO -0.17 -0.09 -0.14 0.21 0.21 0.00 0.00 175.17 175.19 1nf3 s ASN 39 N 0.57 2.07 0.28 0.27 3.04 -1.26 0.08 114.94 120.00 1nf3 s ASN 39 Ca -0.04 -0.35 0.02 0.00 0.04 0.00 0.00 52.86 52.53 1nf3 s ASN 39 Cb -0.06 -0.94 -0.04 0.00 -1.54 0.00 0.00 41.25 38.66 1nf3 s ASN 39 CO -0.02 0.04 0.12 -0.31 -3.04 0.00 0.00 177.10 173.89 1nf3 s TYR 40 N 0.72 1.58 -0.03 0.43 1.51 -0.14 -5.00 117.35 116.42 1nf3 s TYR 40 Ca -0.13 -1.25 -0.06 0.00 -1.01 0.00 0.00 57.07 54.61 1nf3 s TYR 40 Cb -0.16 -0.90 0.01 0.00 -0.11 0.00 0.00 41.96 40.80 1nf3 s TYR 40 CO 0.03 -0.40 0.15 0.00 -1.11 0.00 0.00 175.55 174.22 1nf3 s ALA 41 N -3.67 -0.35 0.15 3.71 0.00 -1.26 -0.40 121.76 119.95 1nf3 s ALA 41 Ca 0.36 0.15 -0.00 0.00 0.00 0.00 0.00 51.96 52.47 1nf3 s ALA 41 Cb 0.07 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 1nf3 s ALA 41 CO 0.15 -0.14 0.06 0.14 0.00 0.00 0.00 175.76 175.97 1nf3 s VAL 42 N -0.65 0.21 -0.09 0.00 -7.23 -0.72 -5.00 120.40 106.92 1nf3 s VAL 42 Ca -0.07 -1.94 0.02 0.00 -1.81 0.00 0.00 61.98 58.17 1nf3 s VAL 42 Cb -0.04 -2.15 -0.02 0.00 0.56 0.00 0.00 36.38 34.72 1nf3 s VAL 42 CO 0.01 -0.38 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.40 1nf3 s THR 43 N -3.98 3.11 -0.05 5.32 2.01 -1.26 -1.10 115.64 119.68 1nf3 s THR 43 Ca 0.27 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.61 1nf3 s THR 43 Cb 0.07 -2.26 0.02 0.00 0.01 0.00 0.00 72.50 70.33 1nf3 s THR 43 CO 0.04 0.56 -0.09 0.68 -0.69 0.00 0.00 174.62 175.12 1nf3 s VAL 44 N -0.21 0.89 -0.20 3.82 -7.23 0.05 -4.89 120.40 112.64 1nf3 s VAL 44 Ca 0.01 -0.34 -0.29 0.00 -1.81 0.00 0.00 61.98 59.54 1nf3 s VAL 44 Cb -0.13 -0.84 0.00 0.00 0.56 0.00 0.00 36.38 35.97 1nf3 s VAL 44 CO 0.03 0.30 1.04 -0.04 -0.31 0.00 0.00 175.10 176.12 1nf3 s MET 45 N 0.70 4.30 -0.26 4.82 -1.94 -1.26 -1.41 119.30 124.24 1nf3 s MET 45 Ca -0.13 1.38 0.02 0.00 -1.71 0.00 0.00 55.69 55.25 1nf3 s MET 45 Cb -0.15 -3.62 0.07 0.00 2.01 0.00 0.00 34.83 33.14 1nf3 s MET 45 CO 0.02 -0.56 -0.06 0.42 -0.01 0.00 0.00 175.02 174.83 1nf3 s ILE 46 N 2.93 1.85 -0.61 2.53 1.01 -0.03 -4.62 121.20 124.27 1nf3 s ILE 46 Ca 0.45 -1.51 0.00 0.00 0.00 0.00 0.00 60.65 59.59 1nf3 s ILE 46 Cb -0.16 -2.08 0.00 0.00 0.01 0.00 0.00 42.46 40.23 1nf3 s ILE 46 CO 0.09 -0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.50 1nf3 n GLY 47 N 4.54 0.60 2.32 6.18 0.00 -1.26 -2.55 105.19 115.02 1nf3 n GLY 47 Ca -0.11 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.82 0.87 3.48 -0.02 0.00 -1.26 -5.03 105.19 101.41 1nf3 n GLY 48 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 2.43 0.16 1.61 0.41 -1.06 -5.03 118.70 117.01 1nf3 s GLU 49 Ca 0.00 -0.75 -0.32 0.00 -0.41 0.00 0.00 54.97 53.49 1nf3 s GLU 49 Cb 0.00 -2.35 -0.10 0.00 -1.78 0.00 0.00 34.13 29.90 1nf3 s GLU 49 CO 0.00 0.61 1.58 -2.14 -0.49 0.00 0.00 175.26 174.82 1nf3 s PRO 50 N -0.93 4.21 -0.02 0.39 0.02 -1.26 -0.85 135.00 136.56 1nf3 s PRO 50 Ca 0.13 2.37 0.04 0.00 0.02 0.00 0.00 61.00 63.55 1nf3 s PRO 50 Cb -0.11 -3.19 -0.01 0.00 0.02 0.00 0.00 34.50 31.22 1nf3 s PRO 50 CO 0.02 -0.62 -0.12 0.71 -0.33 0.00 0.00 177.00 176.66 1nf3 s TYR 51 N 1.26 1.13 -0.21 6.54 2.02 -0.50 0.68 117.35 128.26 1nf3 s TYR 51 Ca 0.70 -0.24 -0.16 0.00 -0.37 0.00 0.00 57.07 57.01 1nf3 s TYR 51 Cb -0.44 -0.74 -0.04 0.00 -0.40 0.00 0.00 41.96 40.34 1nf3 s TYR 51 CO 0.31 -0.05 0.42 0.99 -1.57 0.00 0.00 175.55 175.65 1nf3 s THR 52 N -0.17 5.18 -0.34 -0.71 2.01 -0.11 -0.77 115.64 120.72 1nf3 s THR 52 Ca 0.03 0.74 -0.06 0.00 0.31 0.00 0.00 61.69 62.70 1nf3 s THR 52 Cb -0.06 -3.75 0.04 0.00 0.01 0.00 0.00 72.50 68.75 1nf3 s THR 52 CO -0.00 0.23 0.11 -0.22 -0.69 0.00 0.00 174.62 174.05 1nf3 s LEU 53 N 1.44 4.36 -0.36 4.42 2.96 -0.26 -0.18 118.68 131.06 1nf3 s LEU 53 Ca 0.19 -1.19 -0.19 0.00 -0.22 0.00 0.00 54.13 52.73 1nf3 s LEU 53 Cb -0.15 -1.86 0.00 0.00 0.50 0.00 0.00 46.19 44.68 1nf3 s LEU 53 CO 0.08 -0.34 0.56 -0.83 -1.32 0.00 0.00 176.35 174.51 1nf3 s GLY 54 N 1.44 1.79 -0.25 7.98 0.00 -0.17 -1.76 107.32 116.35 1nf3 s GLY 54 Ca -0.01 -0.96 -0.10 0.00 0.00 0.00 0.00 44.72 43.64 1nf3 s GLY 54 CO 0.02 1.36 0.14 1.08 0.00 0.00 0.00 173.10 175.71 1nf3 s LEU 55 N 2.52 3.88 -0.31 0.66 1.43 0.47 -0.90 118.68 126.42 1nf3 s LEU 55 Ca 0.21 -0.02 -0.00 0.00 -1.03 0.00 0.00 54.13 53.28 1nf3 s LEU 55 Cb -0.15 -2.05 0.07 0.00 0.03 0.00 0.00 46.19 44.08 1nf3 s LEU 55 CO 0.14 0.00 0.02 -0.36 0.23 0.00 0.00 176.35 176.38 1nf3 s PHE 56 N 1.42 3.37 0.10 0.29 0.40 0.17 -0.96 117.98 122.77 1nf3 s PHE 56 Ca 0.07 -2.16 -0.23 0.00 -0.60 0.00 0.00 56.93 54.01 1nf3 s PHE 56 Cb -0.15 -2.35 -0.07 0.00 0.51 0.00 0.00 43.02 40.96 1nf3 s PHE 56 CO 0.07 -0.86 0.68 0.34 0.70 0.00 0.00 175.22 176.15 1nf3 s ASP 57 N 1.28 7.21 0.37 1.36 -1.08 0.11 -0.91 116.67 125.02 1nf3 s ASP 57 Ca -0.02 1.44 0.04 0.00 -0.52 0.00 0.00 52.55 53.49 1nf3 s ASP 57 Cb -0.20 -2.43 -0.05 0.00 -1.46 0.00 0.00 42.92 38.78 1nf3 s ASP 57 CO -0.03 0.21 0.06 0.42 0.52 0.00 0.00 175.17 176.35 1nf3 s THR 58 N -0.95 1.13 -0.35 1.71 -4.23 -1.19 -2.30 115.64 109.47 1nf3 s THR 58 Ca 0.33 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.58 1nf3 s THR 58 Cb -0.21 -2.64 0.01 0.00 1.34 0.00 0.00 72.50 71.00 1nf3 s THR 58 CO 0.22 0.00 0.91 0.00 -0.54 0.00 0.00 174.62 175.21 1nf3 s ALA 59 N -3.17 3.45 0.06 3.99 0.00 -1.24 -4.73 121.76 120.12 1nf3 s ALA 59 Ca 0.30 -0.39 0.21 0.00 0.00 0.00 0.00 51.96 52.08 1nf3 s ALA 59 Cb 0.07 -3.50 0.67 0.00 0.00 0.00 0.00 23.12 20.36 1nf3 s ALA 59 CO 0.14 -1.49 1.72 0.78 0.00 0.00 0.00 175.76 176.91 1nf3 h GLY 60 N 9.91 0.00 -4.30 0.00 0.00 -1.79 -3.44 103.07 103.45 1nf3 h GLY 60 Ca -0.23 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.57 1nf3 h GLY 60 CO 0.96 0.00 0.58 1.08 0.00 0.00 0.00 176.54 179.16 1nf3 s LEU 61 N -6.75 4.42 0.44 3.11 1.43 -1.26 -3.03 118.68 117.03 1nf3 s LEU 61 Ca 0.01 2.18 0.30 0.00 -1.03 0.00 0.00 54.13 55.59 1nf3 s LEU 61 Cb 0.10 -3.60 1.32 0.00 0.03 0.00 0.00 46.19 44.04 1nf3 s LEU 61 CO 0.67 -0.44 1.90 1.05 0.23 0.00 0.00 176.35 179.77 1nf3 h GLU 62 N 5.91 0.00 -0.75 1.70 4.11 -2.00 -2.35 114.58 121.20 1nf3 h GLU 62 Ca -0.43 0.00 0.18 0.00 0.07 0.00 0.00 59.36 59.17 1nf3 h GLU 62 Cb 1.21 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 1nf3 h GLU 62 CO 0.78 0.00 0.51 -0.44 0.07 0.00 0.00 179.01 179.93 1nf3 h ASP 63 N 0.00 0.25 -0.57 3.06 3.32 -1.96 -0.01 116.42 120.51 1nf3 h ASP 63 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1nf3 h ASP 63 Cb 0.37 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1nf3 h ASP 63 CO 0.00 0.12 0.00 -1.22 -1.72 0.00 0.00 179.24 176.42 1nf3 n TYR 64 N -4.43 1.95 -0.21 4.55 4.01 -0.88 -4.57 117.16 117.56 1nf3 n TYR 64 Ca 0.15 -0.72 0.02 0.00 -0.16 0.00 0.00 57.90 57.18 1nf3 n TYR 64 Cb 0.64 -0.47 0.11 0.00 -0.31 0.00 0.00 39.34 39.31 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 3.91 -0.30 -1.05 7.72 3.32 -1.12 -1.62 116.42 127.29 1nf3 h ASP 65 Ca 0.00 0.16 0.27 0.00 0.02 0.00 0.00 57.03 57.49 1nf3 h ASP 65 Cb 1.88 0.29 -0.11 0.00 0.22 0.00 0.00 39.33 41.62 1nf3 h ASP 65 CO 0.44 -0.13 0.66 -0.09 -1.72 0.00 0.00 179.24 178.40 1nf3 h ARG 66 N 0.11 0.41 0.00 3.56 9.65 -1.82 -1.54 114.38 124.75 1nf3 h ARG 66 Ca 0.34 -0.02 -0.06 0.00 -1.10 0.00 0.00 59.98 59.13 1nf3 h ARG 66 Cb 0.55 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 1nf3 h ARG 66 CO -0.56 0.27 -0.78 -0.07 2.80 0.00 0.00 179.97 181.64 1nf3 h LEU 67 N 0.42 0.00 -0.52 3.80 3.38 -1.66 -3.40 115.31 117.34 1nf3 h LEU 67 Ca 0.63 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.69 1nf3 h LEU 67 Cb 1.51 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.18 1nf3 h LEU 67 CO -0.37 0.25 0.09 -0.09 0.09 0.00 0.00 178.44 178.41 1nf3 h ARG 68 N 0.00 0.22 0.00 1.13 2.43 -1.08 -2.15 114.38 114.92 1nf3 h ARG 68 Ca -0.04 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1nf3 h ARG 68 Cb 1.22 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1nf3 h ARG 68 CO 0.02 0.14 0.32 -1.35 -1.51 0.00 0.00 179.97 177.59 1nf3 h PRO 69 N 0.22 0.00 -0.13 0.20 0.11 -1.78 -1.45 132.00 129.17 1nf3 h PRO 69 Ca 0.26 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.41 1nf3 h PRO 69 Cb 0.36 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 1nf3 h PRO 69 CO -0.35 0.00 0.10 -0.07 -0.21 0.00 0.00 178.00 177.47 1nf3 h LEU 70 N 0.00 0.00 -0.39 2.35 3.38 -1.70 -1.40 115.31 117.55 1nf3 h LEU 70 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1nf3 h LEU 70 Cb 0.63 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1nf3 h LEU 70 CO 0.00 0.00 -0.14 0.28 0.09 0.00 0.00 178.44 178.67 1nf3 h SER 71 N 0.00 0.00 -0.44 -0.43 0.02 -1.47 -3.38 113.55 107.85 1nf3 h SER 71 Ca 0.06 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.89 1nf3 h SER 71 Cb 0.27 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1nf3 h SER 71 CO -0.00 0.14 -0.19 1.88 -1.14 0.00 0.00 176.83 177.52 1nf3 h TYR 72 N 0.00 1.07 -2.43 3.45 0.05 -1.41 -3.44 116.97 114.26 1nf3 h TYR 72 Ca -0.00 -0.24 -0.60 0.00 0.05 0.00 0.00 58.73 57.93 1nf3 h TYR 72 Cb 0.97 -0.25 0.08 0.00 1.01 0.00 0.00 36.73 38.54 1nf3 h TYR 72 CO 0.00 1.04 0.50 -2.30 -1.05 0.00 0.00 178.16 176.35 1nf3 n PRO 73 N -4.12 1.74 -1.08 4.88 -0.02 -1.26 -2.05 135.00 133.09 1nf3 n PRO 73 Ca 0.00 0.62 -0.03 0.00 -2.02 0.00 0.00 63.50 62.08 1nf3 n PRO 73 Cb 0.44 -2.22 -0.01 0.00 -0.02 0.00 0.00 33.50 31.68 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 1.95 -1.13 -2.16 -0.52 6.02 0.06 -4.96 117.38 116.63 1nf3 n GLN 74 Ca 0.13 0.44 -0.41 0.00 -0.01 0.00 0.00 57.00 57.15 1nf3 n GLN 74 Cb 0.29 -4.37 -0.02 0.00 1.02 0.00 0.00 30.24 27.16 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 -1.62 2.87 -0.18 5.09 2.01 -0.87 -4.56 115.64 118.37 1nf3 s THR 75 Ca 0.00 0.84 0.12 0.00 0.31 0.00 0.00 61.69 62.96 1nf3 s THR 75 Cb 0.00 -3.53 -0.23 0.00 0.01 0.00 0.00 72.50 68.75 1nf3 s THR 75 CO 0.00 0.19 0.12 0.47 -0.69 0.00 0.00 174.62 174.70 1nf3 n ASP 76 N 1.21 0.70 -3.71 3.53 8.00 0.47 -0.99 116.55 125.76 1nf3 n ASP 76 Ca 0.01 0.05 -0.14 0.00 0.71 0.00 0.00 54.79 55.42 1nf3 n ASP 76 Cb 0.42 0.41 -0.09 0.00 -0.02 0.00 0.00 41.12 41.85 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 -2.52 0.02 -0.05 2.53 0.11 -0.94 -4.20 120.40 115.35 1nf3 s VAL 77 Ca -0.15 -0.15 0.04 0.00 -2.93 0.00 0.00 61.98 58.78 1nf3 s VAL 77 Cb 0.07 -0.67 -0.03 0.00 -1.53 0.00 0.00 36.38 34.22 1nf3 s VAL 77 CO 0.78 -0.08 -0.14 -0.36 -3.33 0.00 0.00 175.10 171.96 1nf3 s PHE 78 N -0.43 2.70 -0.36 1.54 0.08 -0.55 -2.26 117.98 118.70 1nf3 s PHE 78 Ca -0.06 -0.18 -0.08 0.00 0.12 0.00 0.00 56.93 56.74 1nf3 s PHE 78 Cb -0.03 -1.63 0.04 0.00 -0.57 0.00 0.00 43.02 40.82 1nf3 s PHE 78 CO 0.03 0.17 0.16 -0.51 -0.10 0.00 0.00 175.22 174.97 1nf3 s LEU 79 N -0.70 4.57 -0.30 -0.37 1.43 -0.45 -0.28 118.68 122.59 1nf3 s LEU 79 Ca 0.11 -1.17 -0.16 0.00 -1.03 0.00 0.00 54.13 51.88 1nf3 s LEU 79 Cb -0.11 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 1nf3 s LEU 79 CO 0.01 -0.38 0.40 -0.69 0.23 0.00 0.00 176.35 175.91 1nf3 s VAL 80 N 1.44 5.15 0.12 -1.59 1.01 -0.20 -1.49 120.40 124.83 1nf3 s VAL 80 Ca 0.00 0.44 0.05 0.00 0.00 0.00 0.00 61.98 62.48 1nf3 s VAL 80 Cb -0.20 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1nf3 s VAL 80 CO 0.04 0.05 0.02 0.00 0.00 0.00 0.00 175.10 175.20 1nf3 s PHE 82 N -1.46 -0.54 0.01 0.00 -0.12 -0.96 -3.94 117.98 110.97 1nf3 s PHE 82 Ca 0.27 1.12 -0.29 0.00 -0.05 0.00 0.00 56.93 57.97 1nf3 s PHE 82 Cb -0.11 0.25 -0.03 0.00 -0.63 0.00 0.00 43.02 42.50 1nf3 s PHE 82 CO 0.19 -0.42 0.95 0.45 -0.05 0.00 0.00 175.22 176.34 1nf3 s SER 83 N -0.54 7.35 0.04 1.98 0.15 -1.26 -0.67 113.70 120.75 1nf3 s SER 83 Ca -0.07 1.63 0.08 0.00 0.70 0.00 0.00 55.95 58.30 1nf3 s SER 83 Cb -0.03 -2.56 0.35 0.00 -1.71 0.00 0.00 66.02 62.08 1nf3 s SER 83 CO 0.05 -0.22 1.25 1.33 1.20 0.00 0.00 173.24 176.84 1nf3 n VAL 84 N 3.75 1.52 -1.04 4.45 0.24 -0.68 -0.85 118.33 125.71 1nf3 n VAL 84 Ca 0.05 0.41 0.08 0.00 -2.04 0.00 0.00 64.34 62.84 1nf3 n VAL 84 Cb 0.51 -1.32 0.24 0.00 -1.47 0.00 0.00 33.84 31.80 1nf3 n VAL 84 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1nf3 n VAL 85 N -1.59 2.27 -3.65 3.34 0.24 -1.26 0.51 118.33 118.19 1nf3 n VAL 85 Ca 0.01 -2.00 -0.28 0.00 -2.04 0.00 0.00 64.34 60.03 1nf3 n VAL 85 Cb 0.07 -0.26 -0.12 0.00 -1.47 0.00 0.00 33.84 32.07 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 -2.10 3.23 0.37 -1.34 0.15 -0.03 -4.92 113.70 109.06 1nf3 s SER 86 Ca 0.41 -3.12 0.17 0.00 0.70 0.00 0.00 55.95 54.12 1nf3 s SER 86 Cb 0.34 -0.99 1.11 0.00 -1.71 0.00 0.00 66.02 64.78 1nf3 s SER 86 CO 0.07 -0.18 1.70 -0.65 1.20 0.00 0.00 173.24 175.38 1nf3 h PRO 87 N 5.99 0.34 -0.36 5.44 0.11 -1.85 0.18 132.00 141.85 1nf3 h PRO 87 Ca 0.13 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.12 1nf3 h PRO 87 Cb 0.87 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.89 1nf3 h PRO 87 CO 0.51 0.23 -0.20 0.66 -0.21 0.00 0.00 178.00 178.98 1nf3 h SER 88 N 0.35 0.68 -0.55 -2.05 4.64 -1.94 -1.24 113.55 113.44 1nf3 h SER 88 Ca 0.69 -0.23 -0.08 0.00 -0.47 0.00 0.00 61.79 61.71 1nf3 h SER 88 Cb 1.70 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 63.58 1nf3 h SER 88 CO -0.46 0.88 0.04 0.77 -0.87 0.00 0.00 176.83 177.19 1nf3 h SER 89 N 0.60 0.92 -0.17 4.97 4.64 -0.99 -1.59 113.55 121.93 1nf3 h SER 89 Ca 0.09 -0.29 -0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1nf3 h SER 89 Cb 0.67 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 1nf3 h SER 89 CO 0.05 0.97 0.09 0.15 -0.87 0.00 0.00 176.83 177.22 1nf3 h PHE 90 N 0.83 0.24 -0.84 4.77 3.57 -1.26 -2.45 116.94 121.80 1nf3 h PHE 90 Ca 0.16 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.72 1nf3 h PHE 90 Cb 0.48 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.09 1nf3 h PHE 90 CO 0.04 0.25 0.55 0.93 -2.23 0.00 0.00 178.31 177.84 1nf3 h GLU 91 N 0.17 0.90 0.00 1.11 4.39 -0.97 -1.08 114.58 119.10 1nf3 h GLU 91 Ca 0.06 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1nf3 h GLU 91 Cb 0.09 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 1nf3 h GLU 91 CO -0.01 0.60 0.00 -0.91 -1.16 0.00 0.00 179.01 177.53 1nf3 h ASN 92 N 0.93 0.00 -0.24 1.42 2.35 -0.84 -2.17 115.58 117.03 1nf3 h ASN 92 Ca 0.36 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.09 1nf3 h ASN 92 Cb 0.22 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1nf3 h ASN 92 CO -0.13 0.00 0.08 0.58 -1.65 0.00 0.00 177.43 176.31 1nf3 h VAL 93 N 0.00 1.19 0.00 2.81 2.07 -0.81 0.24 116.25 121.75 1nf3 h VAL 93 Ca 0.00 -0.58 -0.12 0.00 0.82 0.00 0.00 66.70 66.81 1nf3 h VAL 93 Cb 0.42 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1nf3 h VAL 93 CO 0.00 0.19 -0.71 0.07 0.02 0.00 0.00 177.57 177.14 1nf3 h LYS 94 N 0.23 0.00 0.00 1.57 2.10 -1.52 -1.08 116.57 117.87 1nf3 h LYS 94 Ca 0.08 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.73 1nf3 h LYS 94 Cb 0.22 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.55 1nf3 h LYS 94 CO -0.00 0.50 -1.51 0.39 -2.00 0.00 0.00 179.45 176.83 1nf3 n GLU 95 N -3.17 0.63 0.06 0.07 1.02 -0.85 -4.58 120.64 113.81 1nf3 n GLU 95 Ca -0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1nf3 n GLU 95 Cb 0.77 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 1nf3 n GLU 95 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1nf3 n LYS 96 N -2.48 0.00 0.02 3.49 4.81 0.73 -4.83 118.16 119.91 1nf3 n LYS 96 Ca -0.02 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.31 1nf3 n LYS 96 Cb 0.57 -0.13 -0.04 0.00 0.02 0.00 0.00 35.03 35.45 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 -0.62 -0.46 5.64 4.06 -1.34 -0.06 115.95 123.17 1nf3 h TRP 97 Ca 0.00 0.03 -0.09 0.00 2.06 0.00 0.00 58.89 60.88 1nf3 h TRP 97 Cb 0.00 0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 28.43 1nf3 h TRP 97 CO 0.00 -0.32 -0.07 0.28 -3.56 0.00 0.00 178.44 174.77 1nf3 h VAL 98 N -0.32 1.27 -0.55 1.49 2.07 -1.43 -2.50 116.25 116.27 1nf3 h VAL 98 Ca 0.08 -1.17 0.02 0.00 0.82 0.00 0.00 66.70 66.46 1nf3 h VAL 98 Cb 0.44 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1nf3 h VAL 98 CO -0.26 0.40 0.34 -0.65 0.02 0.00 0.00 177.57 177.42 1nf3 h PRO 99 N 0.71 0.65 0.58 1.57 0.11 -1.75 -1.35 132.00 132.51 1nf3 h PRO 99 Ca 0.12 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.17 1nf3 h PRO 99 Cb 0.60 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.57 1nf3 h PRO 99 CO 0.04 0.43 -0.29 1.49 -0.21 0.00 0.00 178.00 179.45 1nf3 h GLU 100 N 0.66 -0.77 -0.13 1.05 4.81 -0.90 0.58 114.58 119.89 1nf3 h GLU 100 Ca 0.22 0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.40 1nf3 h GLU 100 Cb 0.02 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1nf3 h GLU 100 CO -0.10 -0.51 -0.38 -0.84 -0.73 0.00 0.00 179.01 176.45 1nf3 h ILE 101 N -0.80 1.30 -0.05 2.32 3.07 -1.42 -2.28 117.51 119.65 1nf3 h ILE 101 Ca -0.08 -1.45 -0.15 0.00 1.55 0.00 0.00 64.86 64.74 1nf3 h ILE 101 Cb 0.62 1.62 -0.01 0.00 -0.27 0.00 0.00 36.82 38.78 1nf3 h ILE 101 CO 0.12 0.44 -0.64 0.71 -1.05 0.00 0.00 178.15 177.73 1nf3 h THR 102 N 0.23 1.41 -0.27 0.16 1.35 -1.23 0.16 112.91 114.72 1nf3 h THR 102 Ca 0.02 -2.07 -0.06 0.00 -0.55 0.00 0.00 66.41 63.75 1nf3 h THR 102 Cb 0.77 2.07 -0.01 0.00 -1.73 0.00 0.00 68.15 69.26 1nf3 h THR 102 CO 0.06 0.61 -0.06 -0.74 -0.25 0.00 0.00 175.52 175.14 1nf3 h HIS 103 N 0.14 0.57 0.10 4.73 -0.00 -0.53 -2.39 115.15 117.77 1nf3 h HIS 103 Ca -0.01 -0.12 -0.27 0.00 -0.00 0.00 0.00 60.37 59.97 1nf3 h HIS 103 Cb 1.15 -0.14 0.01 0.00 -0.00 0.00 0.00 27.41 28.43 1nf3 h HIS 103 CO 0.02 0.72 -1.17 0.45 -0.00 0.00 0.00 177.93 177.95 1nf3 h HIS 104 N 0.26 0.69 -2.31 5.26 3.86 -1.35 -3.40 115.15 118.17 1nf3 h HIS 104 Ca 0.07 -0.44 -0.59 0.00 -1.16 0.00 0.00 60.37 58.25 1nf3 h HIS 104 Cb 0.53 -0.05 -0.40 0.00 1.06 0.00 0.00 27.41 28.56 1nf3 h HIS 104 CO 0.05 1.31 -0.89 0.00 0.86 0.00 0.00 177.93 179.26 1nf3 h PRO 106 N 4.73 0.00 -0.25 0.00 0.11 -1.60 -2.78 132.00 132.21 1nf3 h PRO 106 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1nf3 h PRO 106 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1nf3 h PRO 106 CO 0.54 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.96 1nf3 n LYS 107 N -4.23 2.04 -3.12 1.05 5.02 -1.26 -4.98 118.16 112.68 1nf3 n LYS 107 Ca 0.15 -1.78 -0.39 0.00 -2.02 0.00 0.00 58.31 54.26 1nf3 n LYS 107 Cb 0.84 -1.28 -0.05 0.00 -0.02 0.00 0.00 35.03 34.52 1nf3 n LYS 107 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1nf3 s THR 108 N -1.02 5.00 0.46 -0.18 2.01 -1.05 -4.63 115.64 116.22 1nf3 s THR 108 Ca 0.22 1.34 -0.22 0.00 0.31 0.00 0.00 61.69 63.34 1nf3 s THR 108 Cb 0.12 -3.99 -0.08 0.00 0.01 0.00 0.00 72.50 68.57 1nf3 s THR 108 CO 0.17 0.32 1.10 -2.16 -0.69 0.00 0.00 174.62 173.36 1nf3 s PRO 109 N 0.42 3.84 0.01 4.92 0.04 -1.26 -4.88 135.00 138.09 1nf3 s PRO 109 Ca 0.34 1.60 -0.02 0.00 0.04 0.00 0.00 61.00 62.96 1nf3 s PRO 109 Cb -0.18 -2.34 -0.01 0.00 0.04 0.00 0.00 34.50 32.01 1nf3 s PRO 109 CO 0.17 -0.44 0.01 -0.59 0.04 0.00 0.00 177.00 176.19 1nf3 s PHE 110 N -1.69 0.18 0.04 0.56 -0.71 -1.26 -1.49 117.98 113.62 1nf3 s PHE 110 Ca 0.64 -0.37 0.02 0.00 -1.04 0.00 0.00 56.93 56.18 1nf3 s PHE 110 Cb -0.24 -0.14 -0.04 0.00 -1.21 0.00 0.00 43.02 41.40 1nf3 s PHE 110 CO 0.29 -0.19 0.04 -0.51 -1.34 0.00 0.00 175.22 173.51 1nf3 s LEU 111 N -1.27 3.66 -0.19 -1.99 1.02 0.62 -0.88 118.68 119.65 1nf3 s LEU 111 Ca -0.14 -0.02 -0.16 0.00 0.02 0.00 0.00 54.13 53.83 1nf3 s LEU 111 Cb -0.08 -2.25 -0.04 0.00 0.02 0.00 0.00 46.19 43.84 1nf3 s LEU 111 CO -0.00 0.22 0.41 -0.22 0.02 0.00 0.00 176.35 176.78 1nf3 s LEU 112 N -2.02 4.17 -0.20 1.79 2.96 -0.73 -1.04 118.68 123.62 1nf3 s LEU 112 Ca 0.25 0.55 0.02 0.00 -0.22 0.00 0.00 54.13 54.72 1nf3 s LEU 112 Cb -0.12 -2.54 0.03 0.00 0.50 0.00 0.00 46.19 44.07 1nf3 s LEU 112 CO 0.16 -0.07 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.27 1nf3 s VAL 113 N 1.23 2.07 -0.08 1.68 1.01 0.34 -1.55 120.40 125.10 1nf3 s VAL 113 Ca 0.20 -1.15 -0.22 0.00 0.00 0.00 0.00 61.98 60.81 1nf3 s VAL 113 Cb -0.15 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 1nf3 s VAL 113 CO 0.08 0.35 0.62 -0.83 0.00 0.00 0.00 175.10 175.32 1nf3 s GLY 114 N 1.24 2.55 0.45 4.51 0.00 0.41 -2.27 107.32 114.22 1nf3 s GLY 114 Ca 0.00 0.03 0.06 0.00 0.00 0.00 0.00 44.72 44.81 1nf3 s GLY 114 CO -0.10 1.03 0.19 -0.51 0.00 0.00 0.00 173.10 173.71 1nf3 s THR 115 N 0.69 1.99 -1.40 0.90 -4.23 0.16 -0.89 115.64 112.86 1nf3 s THR 115 Ca 0.34 -1.71 -0.10 0.00 -1.18 0.00 0.00 61.69 59.03 1nf3 s THR 115 Cb -0.17 -2.70 0.07 0.00 1.34 0.00 0.00 72.50 71.04 1nf3 s THR 115 CO 0.16 0.00 0.62 0.00 -0.54 0.00 0.00 174.62 174.85 1nf3 n GLN 116 N -1.34 -4.03 0.17 3.99 6.02 -1.03 -1.69 117.38 119.47 1nf3 n GLN 116 Ca -0.04 0.56 0.11 0.00 -0.01 0.00 0.00 57.00 57.62 1nf3 n GLN 116 Cb 0.65 -5.33 0.60 0.00 1.02 0.00 0.00 30.24 27.18 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 -4.19 1.00 0.51 5.09 -5.35 -0.74 -1.19 119.36 114.49 1nf3 n ILE 117 Ca -0.01 0.71 0.09 0.00 -0.27 0.00 0.00 62.75 63.26 1nf3 n ILE 117 Cb 0.55 -1.71 0.38 0.00 -1.74 0.00 0.00 39.64 37.12 1nf3 n ILE 117 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1nf3 n ASP 118 N -2.28 0.19 -0.34 7.28 5.75 -1.26 -2.57 116.55 123.32 1nf3 n ASP 118 Ca -0.01 0.54 0.13 0.00 -0.01 0.00 0.00 54.79 55.44 1nf3 n ASP 118 Cb 0.05 -0.58 0.36 0.00 -1.03 0.00 0.00 41.12 39.91 1nf3 n ASP 118 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1nf3 n LEU 119 N -1.70 1.28 0.07 -2.12 4.77 -0.34 -4.07 117.00 114.90 1nf3 n LEU 119 Ca 0.03 -0.38 0.11 0.00 -0.03 0.00 0.00 56.01 55.74 1nf3 n LEU 119 Cb 0.20 -0.08 0.58 0.00 -2.33 0.00 0.00 43.42 41.79 1nf3 n LEU 119 CO 0.16 0.23 1.14 0.03 -1.33 0.00 0.00 177.39 177.63 1nf3 h ARG 120 N 1.67 0.19 -0.50 3.23 3.08 -1.68 -1.54 114.38 118.82 1nf3 h ARG 120 Ca 0.00 -0.01 -0.30 0.00 0.07 0.00 0.00 59.98 59.74 1nf3 h ARG 120 Cb 0.55 -0.04 -0.18 0.00 0.08 0.00 0.00 29.97 30.37 1nf3 h ARG 120 CO 0.00 0.13 -0.05 -0.25 -1.07 0.00 0.00 179.97 178.73 1nf3 n ASP 121 N -4.48 3.31 -4.64 7.04 8.00 -1.26 -4.86 116.55 119.67 1nf3 n ASP 121 Ca 0.04 -3.78 -0.38 0.00 0.71 0.00 0.00 54.79 51.38 1nf3 n ASP 121 Cb 0.27 -0.64 -0.09 0.00 -0.02 0.00 0.00 41.12 40.64 1nf3 n ASP 121 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1nf3 s ASP 122 N -2.54 6.24 0.03 -2.24 2.15 -0.58 -5.01 116.67 114.71 1nf3 s ASP 122 Ca 0.48 0.27 -0.09 0.00 0.43 0.00 0.00 52.55 53.63 1nf3 s ASP 122 Cb 0.42 -2.18 -0.04 0.00 -0.30 0.00 0.00 42.92 40.83 1nf3 s ASP 122 CO 0.01 -0.07 1.15 -0.65 -0.17 0.00 0.00 175.17 175.44 1nf3 h PRO 123 N 7.80 -0.16 -0.74 4.34 0.11 -1.93 0.31 132.00 141.72 1nf3 h PRO 123 Ca -0.35 0.01 0.13 0.00 0.11 0.00 0.00 66.00 65.90 1nf3 h PRO 123 Cb 1.17 0.04 -0.13 0.00 0.11 0.00 0.00 31.00 32.18 1nf3 h PRO 123 CO 0.65 -0.11 -0.34 0.77 -0.21 0.00 0.00 178.00 178.77 1nf3 h SER 124 N -0.17 -1.21 -0.07 -2.05 0.02 -1.98 0.30 113.55 108.40 1nf3 h SER 124 Ca 0.01 0.26 0.04 0.00 -0.84 0.00 0.00 61.79 61.25 1nf3 h SER 124 Cb 0.19 0.63 -0.05 0.00 0.14 0.00 0.00 62.40 63.31 1nf3 h SER 124 CO -0.11 -0.30 -0.21 0.74 -1.14 0.00 0.00 176.83 175.81 1nf3 h THR 125 N -0.10 0.50 -0.30 -2.27 2.02 -1.81 -0.96 112.91 110.00 1nf3 h THR 125 Ca 0.28 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.42 1nf3 h THR 125 Cb 0.57 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1nf3 h THR 125 CO -0.79 0.00 -0.02 0.40 0.37 0.00 0.00 175.52 175.48 1nf3 h ILE 126 N -0.29 1.19 -0.15 3.11 2.04 0.11 -2.36 117.51 121.15 1nf3 h ILE 126 Ca 0.08 -0.75 -0.05 0.00 1.00 0.00 0.00 64.86 65.14 1nf3 h ILE 126 Cb 0.41 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1nf3 h ILE 126 CO -0.24 0.25 -0.11 -0.08 0.00 0.00 0.00 178.15 177.97 1nf3 h GLU 127 N 0.45 0.34 -0.09 2.37 4.57 0.04 -1.86 114.58 120.39 1nf3 h GLU 127 Ca 0.10 -0.16 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1nf3 h GLU 127 Cb 0.32 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1nf3 h GLU 127 CO 0.01 0.70 0.04 0.87 -1.18 0.00 0.00 179.01 179.45 1nf3 h LYS 128 N -0.02 0.13 -0.00 1.92 1.57 -1.09 0.44 116.57 119.51 1nf3 h LYS 128 Ca 0.03 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1nf3 h LYS 128 Cb 0.62 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.86 1nf3 h LYS 128 CO 0.03 0.21 -0.24 -0.07 -0.57 0.00 0.00 179.45 178.81 1nf3 h LEU 129 N 0.01 -0.71 -1.85 2.94 3.38 -1.46 -0.95 115.31 116.68 1nf3 h LEU 129 Ca 0.03 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1nf3 h LEU 129 Cb 0.13 0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1nf3 h LEU 129 CO -0.00 -0.31 -0.09 0.00 0.09 0.00 0.00 178.44 178.13 1nf3 h ALA 130 N 0.47 1.82 0.00 1.53 0.00 -1.15 0.90 119.26 122.83 1nf3 h ALA 130 Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1nf3 h ALA 130 Cb 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1nf3 h ALA 130 CO -0.22 0.11 0.00 1.17 0.00 0.00 0.00 179.25 180.31 1nf3 n LYS 131 N -4.38 0.08 -1.44 0.00 3.00 0.15 -0.59 118.16 114.97 1nf3 n LYS 131 Ca -0.03 0.22 0.03 0.00 -0.00 0.00 0.00 58.31 58.54 1nf3 n LYS 131 Cb 0.17 -1.50 0.01 0.00 0.00 0.00 0.00 35.03 33.71 1nf3 n LYS 131 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1nf3 n ASN 132 N -1.27 0.86 -3.88 3.14 4.05 -0.08 -5.02 115.26 113.05 1nf3 n ASN 132 Ca 0.02 -2.00 -0.35 0.00 0.45 0.00 0.00 54.58 52.71 1nf3 n ASN 132 Cb 0.04 -0.26 0.02 0.00 1.23 0.00 0.00 39.78 40.80 1nf3 n ASN 132 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 1nf3 n LYS 133 N 0.46 -1.32 -4.22 1.20 4.81 0.24 -5.00 118.16 114.32 1nf3 n LYS 133 Ca 0.04 0.32 -0.18 0.00 -0.87 0.00 0.00 58.31 57.61 1nf3 n LYS 133 Cb 1.11 -3.72 -0.11 0.00 0.02 0.00 0.00 35.03 32.33 1nf3 n LYS 133 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1nf3 s GLN 134 N -6.58 0.97 0.25 1.64 -0.21 0.12 -4.94 119.66 110.90 1nf3 s GLN 134 Ca 0.36 -1.16 0.04 0.00 0.02 0.00 0.00 55.36 54.62 1nf3 s GLN 134 Cb -0.16 -0.89 -0.05 0.00 1.00 0.00 0.00 33.01 32.91 1nf3 s GLN 134 CO 0.91 0.18 -0.02 0.15 -2.12 0.00 0.00 175.29 174.39 1nf3 s LYS 135 N -2.42 1.41 1.08 2.91 1.02 -1.26 -2.78 119.74 119.69 1nf3 s LYS 135 Ca 0.06 -1.71 -0.14 0.00 0.02 0.00 0.00 55.97 54.19 1nf3 s LYS 135 Cb -0.06 -0.78 0.23 0.00 -0.52 0.00 0.00 37.83 36.70 1nf3 s LYS 135 CO 0.03 -0.06 1.09 -2.14 -0.92 0.00 0.00 175.35 173.35 1nf3 s PRO 136 N -3.82 -0.21 0.04 -1.68 0.02 -1.26 -4.75 135.00 123.33 1nf3 s PRO 136 Ca 0.29 0.35 -0.16 0.00 0.02 0.00 0.00 61.00 61.50 1nf3 s PRO 136 Cb 0.05 -1.68 -0.06 0.00 0.02 0.00 0.00 34.50 32.83 1nf3 s PRO 136 CO 0.10 -3.13 0.47 0.42 -0.33 0.00 0.00 177.00 174.53 1nf3 s ILE 137 N -2.94 4.93 0.15 2.83 1.09 0.18 -5.00 121.20 122.44 1nf3 s ILE 137 Ca 0.67 0.93 0.01 0.00 -1.10 0.00 0.00 60.65 61.17 1nf3 s ILE 137 Cb -0.17 -3.77 -0.04 0.00 -1.06 0.00 0.00 42.46 37.43 1nf3 s ILE 137 CO 0.58 0.53 0.31 0.42 -0.10 0.00 0.00 174.94 176.67 1nf3 s THR 138 N -1.14 5.30 0.54 2.92 -4.23 -1.26 -4.86 115.64 112.90 1nf3 s THR 138 Ca 0.27 -0.54 0.26 0.00 -1.18 0.00 0.00 61.69 60.50 1nf3 s THR 138 Cb -0.17 -3.72 0.39 0.00 1.34 0.00 0.00 72.50 70.34 1nf3 s THR 138 CO 0.16 -0.08 2.00 -0.65 -0.54 0.00 0.00 174.62 175.51 1nf3 h PRO 139 N 2.24 0.00 1.01 3.99 0.11 -1.98 -0.95 132.00 136.41 1nf3 h PRO 139 Ca -0.48 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 1nf3 h PRO 139 Cb 1.19 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.31 1nf3 h PRO 139 CO 0.69 0.00 -0.48 0.93 -0.21 0.00 0.00 178.00 178.93 1nf3 h GLU 140 N 0.00 -1.30 -0.40 1.05 3.07 -1.99 0.94 114.58 115.96 1nf3 h GLU 140 Ca 0.23 0.09 -0.07 0.00 -0.50 0.00 0.00 59.36 59.11 1nf3 h GLU 140 Cb 0.98 0.30 -0.02 0.00 -0.84 0.00 0.00 28.75 29.16 1nf3 h GLU 140 CO -0.00 -0.87 -0.06 1.79 -1.40 0.00 0.00 179.01 178.46 1nf3 h THR 141 N -1.37 1.24 -0.10 1.13 1.35 -1.85 -2.05 112.91 111.26 1nf3 h THR 141 Ca -0.14 -1.03 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 1nf3 h THR 141 Cb 1.04 1.01 -0.01 0.00 -1.73 0.00 0.00 68.15 68.46 1nf3 h THR 141 CO 0.23 0.35 0.07 0.00 -0.25 0.00 0.00 175.52 175.91 1nf3 h ALA 142 N 1.31 0.13 -0.05 6.62 0.00 -1.07 -0.70 119.26 125.50 1nf3 h ALA 142 Ca 0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1nf3 h ALA 142 Cb 0.48 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1nf3 h ALA 142 CO 0.03 -0.36 -0.07 0.93 0.00 0.00 0.00 179.25 179.77 1nf3 h GLU 143 N 0.12 0.08 -0.43 0.00 5.08 -0.65 -0.91 114.58 117.87 1nf3 h GLU 143 Ca 0.04 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 1nf3 h GLU 143 Cb 0.01 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1nf3 h GLU 143 CO -0.01 0.15 -0.27 -0.22 -1.00 0.00 0.00 179.01 177.67 1nf3 h LYS 144 N 0.08 0.91 -0.21 2.33 3.64 -0.58 -1.95 116.57 120.79 1nf3 h LYS 144 Ca 0.02 -0.41 -0.03 0.00 -1.27 0.00 0.00 60.65 58.96 1nf3 h LYS 144 Cb 0.17 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1nf3 h LYS 144 CO 0.01 1.06 0.02 1.25 -2.27 0.00 0.00 179.45 179.52 1nf3 h LEU 145 N 0.78 0.34 -0.48 5.20 5.85 -0.11 0.13 115.31 127.02 1nf3 h LEU 145 Ca 0.09 -0.28 0.09 0.00 0.84 0.00 0.00 57.88 58.62 1nf3 h LEU 145 Cb 0.83 -0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.67 1nf3 h LEU 145 CO 0.07 0.54 -0.32 0.00 -0.34 0.00 0.00 178.44 178.39 1nf3 h ALA 146 N 0.81 -0.11 0.14 1.25 0.00 -1.07 0.44 119.26 120.74 1nf3 h ALA 146 Ca 0.06 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1nf3 h ALA 146 Cb 0.35 0.73 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1nf3 h ALA 146 CO 0.01 -0.70 -0.51 -0.09 0.00 0.00 0.00 179.25 177.96 1nf3 h ARG 147 N -0.21 -0.72 -0.47 0.00 2.43 -1.12 0.16 114.38 114.44 1nf3 h ARG 147 Ca 0.20 0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.46 1nf3 h ARG 147 Cb 0.54 0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.21 1nf3 h ARG 147 CO -0.60 -0.48 0.23 -0.44 -1.51 0.00 0.00 179.97 177.17 1nf3 h ASP 148 N -0.75 0.32 -0.00 -3.80 3.32 0.07 -2.19 116.42 113.39 1nf3 h ASP 148 Ca -0.01 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1nf3 h ASP 148 Cb 0.74 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1nf3 h ASP 148 CO -0.26 0.22 0.00 0.18 -1.72 0.00 0.00 179.24 177.66 1nf3 n LEU 149 N -4.91 0.05 -2.34 1.55 4.77 0.15 -4.91 117.00 111.35 1nf3 n LEU 149 Ca 0.04 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.87 1nf3 n LEU 149 Cb 0.13 -0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.27 1nf3 n LEU 149 CO 0.29 0.01 0.12 0.29 -1.33 0.00 0.00 177.39 176.77 1nf3 n LYS 150 N -0.84 -4.42 -3.01 3.23 5.02 -0.14 -5.03 118.16 112.97 1nf3 n LYS 150 Ca 0.18 0.49 -0.31 0.00 -2.02 0.00 0.00 58.31 56.64 1nf3 n LYS 150 Cb 0.09 -4.47 -0.05 0.00 -0.02 0.00 0.00 35.03 30.58 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 -3.19 3.34 0.16 7.82 0.00 0.36 -4.79 121.76 125.46 1nf3 s ALA 151 Ca 0.24 -0.08 -0.15 0.00 0.00 0.00 0.00 51.96 51.96 1nf3 s ALA 151 Cb -0.10 -2.73 0.08 0.00 0.00 0.00 0.00 23.12 20.36 1nf3 s ALA 151 CO 0.43 0.18 1.76 0.28 0.00 0.00 0.00 175.76 178.40 1nf3 h VAL 152 N 1.56 0.91 -2.34 0.00 2.07 -1.33 -3.43 116.25 113.69 1nf3 h VAL 152 Ca -0.47 -0.11 0.22 0.00 0.82 0.00 0.00 66.70 67.16 1nf3 h VAL 152 Cb 1.18 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 1nf3 h VAL 152 CO 0.65 0.06 0.68 -1.59 0.02 0.00 0.00 177.57 177.38 1nf3 s LYS 153 N -6.15 1.00 -0.02 1.57 -2.85 -1.26 -5.05 119.74 106.98 1nf3 s LYS 153 Ca -0.13 -0.64 0.05 0.00 -1.00 0.00 0.00 55.97 54.25 1nf3 s LYS 153 Cb 0.12 0.29 -0.03 0.00 -2.06 0.00 0.00 37.83 36.15 1nf3 s LYS 153 CO 0.72 -0.47 -0.15 -0.47 0.10 0.00 0.00 175.35 175.08 1nf3 s TYR 154 N -2.22 2.67 -0.01 1.78 5.04 -1.26 -1.76 117.35 121.57 1nf3 s TYR 154 Ca 0.23 -0.18 -0.08 0.00 -2.44 0.00 0.00 57.07 54.60 1nf3 s TYR 154 Cb -0.01 -1.58 0.01 0.00 0.35 0.00 0.00 41.96 40.72 1nf3 s TYR 154 CO 0.03 0.21 0.16 0.14 -1.34 0.00 0.00 175.55 174.75 1nf3 s VAL 155 N -0.80 0.06 0.10 3.14 -7.23 -0.60 -4.97 120.40 110.11 1nf3 s VAL 155 Ca 0.13 -0.51 0.03 0.00 -1.81 0.00 0.00 61.98 59.81 1nf3 s VAL 155 Cb -0.11 -0.40 -0.04 0.00 0.56 0.00 0.00 36.38 36.39 1nf3 s VAL 155 CO 0.02 -0.28 -0.09 -1.83 -0.31 0.00 0.00 175.10 172.61 1nf3 s GLU 156 N -1.03 0.86 0.14 4.82 -1.05 -1.26 -0.44 118.70 120.74 1nf3 s GLU 156 Ca -0.11 -1.23 -0.05 0.00 -0.15 0.00 0.00 54.97 53.42 1nf3 s GLU 156 Cb -0.06 -0.45 0.02 0.00 -0.44 0.00 0.00 34.13 33.20 1nf3 s GLU 156 CO 0.01 0.05 0.29 0.00 0.95 0.00 0.00 175.26 176.57 1nf3 s SER 158 N -1.76 0.96 0.38 0.00 0.15 -0.86 -1.79 113.70 110.79 1nf3 s SER 158 Ca 0.06 0.19 0.19 0.00 0.70 0.00 0.00 55.95 57.08 1nf3 s SER 158 Cb -0.02 0.19 0.70 0.00 -1.71 0.00 0.00 66.02 65.19 1nf3 s SER 158 CO 0.04 -0.26 1.75 0.00 1.20 0.00 0.00 173.24 175.97 1nf3 h ALA 159 N 8.37 1.03 0.48 5.45 0.00 -1.89 0.41 119.26 133.10 1nf3 h ALA 159 Ca -0.13 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1nf3 h ALA 159 Cb 1.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1nf3 h ALA 159 CO 0.16 0.46 -0.23 1.25 0.00 0.00 0.00 179.25 180.90 1nf3 h LEU 160 N 0.00 -0.54 0.00 0.00 5.85 -1.95 -3.28 115.31 115.39 1nf3 h LEU 160 Ca -0.00 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1nf3 h LEU 160 Cb 0.87 0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.04 1nf3 h LEU 160 CO 0.05 -0.20 -0.59 0.35 -0.34 0.00 0.00 178.44 177.71 1nf3 n THR 161 N -5.26 0.14 -0.97 1.05 -2.24 -1.23 -4.94 114.28 100.83 1nf3 n THR 161 Ca -0.11 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1nf3 n THR 161 Cb 0.31 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 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 -1.76 -0.75 -1.81 -0.78 6.02 0.14 -4.96 117.38 113.49 1nf3 n GLN 162 Ca 0.04 0.19 -0.42 0.00 -0.01 0.00 0.00 57.00 56.80 1nf3 n GLN 162 Cb 0.38 -3.80 -0.03 0.00 1.02 0.00 0.00 30.24 27.81 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 -0.81 4.16 0.00 -1.09 2.20 -1.17 -1.32 119.74 121.71 1nf3 s LYS 163 Ca 0.00 2.48 0.00 0.00 -0.36 0.00 0.00 55.97 58.09 1nf3 s LYS 163 Cb 0.00 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 1nf3 s LYS 163 CO 0.00 -0.79 0.00 0.41 -0.36 0.00 0.00 175.35 174.61 1nf3 n GLY 164 N 4.13 0.26 0.14 5.54 0.00 -1.26 -2.02 105.19 111.98 1nf3 n GLY 164 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.23 -0.97 0.99 5.85 -1.47 -3.04 115.31 116.44 1nf3 h LEU 165 Ca 0.00 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.57 1nf3 h LEU 165 Cb 0.36 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1nf3 h LEU 165 CO 0.00 -0.07 -0.08 0.50 -0.34 0.00 0.00 178.44 178.45 1nf3 h LYS 166 N -0.37 0.66 0.00 1.25 3.64 -1.91 -3.07 116.57 116.76 1nf3 h LYS 166 Ca -0.03 -0.19 -0.04 0.00 -1.27 0.00 0.00 60.65 59.12 1nf3 h LYS 166 Cb 0.29 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1nf3 h LYS 166 CO 0.05 0.74 -0.20 -0.97 -2.27 0.00 0.00 179.45 176.79 1nf3 h ASN 167 N 0.61 0.00 -0.37 4.20 -0.73 -1.94 -0.05 115.58 117.31 1nf3 h ASN 167 Ca 0.11 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.25 1nf3 h ASN 167 Cb 0.50 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.08 1nf3 h ASN 167 CO 0.03 0.20 0.09 0.58 -0.37 0.00 0.00 177.43 177.96 1nf3 h VAL 168 N 0.00 1.22 -0.04 2.57 2.07 -1.43 -0.94 116.25 119.70 1nf3 h VAL 168 Ca -0.00 -0.76 -0.21 0.00 0.82 0.00 0.00 66.70 66.55 1nf3 h VAL 168 Cb 0.39 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1nf3 h VAL 168 CO 0.03 0.26 -0.85 -0.26 0.02 0.00 0.00 177.57 176.77 1nf3 h PHE 169 N 0.45 0.62 -0.70 1.57 -1.00 -1.50 -1.31 116.94 115.07 1nf3 h PHE 169 Ca 0.12 -0.31 -0.00 0.00 2.81 0.00 0.00 57.97 60.59 1nf3 h PHE 169 Cb 0.30 -0.08 -0.03 0.00 3.61 0.00 0.00 35.95 39.74 1nf3 h PHE 169 CO 0.02 1.11 0.43 -0.44 -1.61 0.00 0.00 178.31 177.82 1nf3 h ASP 170 N 0.27 0.83 -0.23 2.17 3.32 -0.97 0.32 116.42 122.13 1nf3 h ASP 170 Ca -0.06 -0.05 -0.10 0.00 0.02 0.00 0.00 57.03 56.84 1nf3 h ASP 170 Cb 1.46 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.79 1nf3 h ASP 170 CO 0.15 0.64 -0.19 -0.33 -1.72 0.00 0.00 179.24 177.78 1nf3 h GLU 171 N 0.95 0.68 0.26 3.56 4.39 -1.10 0.53 114.58 123.85 1nf3 h GLU 171 Ca 0.25 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1nf3 h GLU 171 Cb -0.05 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 1nf3 h GLU 171 CO -0.05 0.83 -0.13 0.00 -1.16 0.00 0.00 179.01 178.50 1nf3 h ALA 172 N 1.18 -0.35 -0.66 3.43 0.00 -0.29 0.14 119.26 122.71 1nf3 h ALA 172 Ca 0.09 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1nf3 h ALA 172 Cb 0.66 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.51 1nf3 h ALA 172 CO 0.05 -0.65 0.26 0.82 0.00 0.00 0.00 179.25 179.73 1nf3 h ILE 173 N -0.44 0.76 -0.44 0.00 2.04 -0.18 -1.82 117.51 117.43 1nf3 h ILE 173 Ca -0.04 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 1nf3 h ILE 173 Cb 0.33 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1nf3 h ILE 173 CO 0.06 0.08 0.14 -0.07 0.00 0.00 0.00 178.15 178.36 1nf3 h LEU 174 N 0.45 0.65 -2.02 1.44 3.38 -0.50 -2.27 115.31 116.44 1nf3 h LEU 174 Ca 0.34 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 58.14 1nf3 h LEU 174 Cb 0.42 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1nf3 h LEU 174 CO -0.32 0.69 0.12 0.00 0.09 0.00 0.00 178.44 179.02 1nf3 h ALA 175 N 0.99 2.14 0.00 1.53 0.00 -0.01 0.22 119.26 124.13 1nf3 h ALA 175 Ca 0.14 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1nf3 h ALA 175 Cb 0.27 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1nf3 h ALA 175 CO -0.00 -0.21 -0.23 0.00 0.00 0.00 0.00 179.25 178.81 1nf3 h ALA 176 N 1.91 0.86 0.00 0.00 0.00 -0.83 -3.39 119.26 117.82 1nf3 h ALA 176 Ca 0.08 -0.18 -0.31 0.00 0.00 0.00 0.00 54.91 54.49 1nf3 h ALA 176 Cb 0.32 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 1nf3 h ALA 176 CO -0.00 0.25 -2.19 1.28 0.00 0.00 0.00 179.25 178.59 1nf3 n LEU 177 N -3.13 2.60 -0.13 0.00 4.77 -0.24 -4.82 117.00 116.05 1nf3 n LEU 177 Ca 0.03 -0.10 -0.08 0.00 -0.03 0.00 0.00 56.01 55.83 1nf3 n LEU 177 Cb 0.61 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1nf3 n LEU 177 CO 0.37 0.80 1.01 -0.33 -1.33 0.00 0.00 177.39 177.90 1nf3 h GLU 178 N 0.00 0.56 -5.40 3.23 5.08 -0.83 -3.46 114.58 113.75 1nf3 h GLU 178 Ca -0.47 -0.05 -0.68 0.00 -1.00 0.00 0.00 59.36 57.15 1nf3 h GLU 178 Cb 1.77 -0.12 0.06 0.00 0.50 0.00 0.00 28.75 30.96 1nf3 h GLU 178 CO -0.06 0.42 -0.08 -2.30 -1.00 0.00 0.00 179.01 176.00 1nf3 n PRO 179 N -4.75 0.00 0.00 2.33 -0.02 -1.26 -4.73 135.00 126.57 1nf3 n PRO 179 Ca 0.01 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.49 1nf3 n PRO 179 Cb 0.06 -1.24 0.03 0.00 -0.02 0.00 0.00 33.50 32.33 1nf3 n PRO 179 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1nf3 n PRO 180 N 1.24 0.18 -4.44 0.52 -0.02 -1.26 -4.74 135.00 126.48 1nf3 n PRO 180 Ca 0.18 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.44 1nf3 n PRO 180 Cb 0.11 -1.10 -0.10 0.00 -0.02 0.00 0.00 33.50 32.39 1nf3 n PRO 180 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1nf3 s GLU 181 N -2.00 1.57 0.34 -0.52 1.03 -1.26 -5.10 118.70 112.76 1nf3 s GLU 181 Ca 0.02 -1.78 -0.25 0.00 0.03 0.00 0.00 54.97 52.99 1nf3 s GLU 181 Cb 0.01 -1.28 -0.14 0.00 -0.80 0.00 0.00 34.13 31.92 1nf3 s GLU 181 CO 0.01 0.10 0.63 -2.30 -1.33 0.00 0.00 175.26 172.37 1nf3 n PRO 182 N -0.59 0.62 0.11 -4.83 -0.02 -1.26 -4.86 135.00 124.17 1nf3 n PRO 182 Ca -0.06 0.22 -0.04 0.00 -2.02 0.00 0.00 63.50 61.61 1nf3 n PRO 182 Cb 0.63 -1.46 0.09 0.00 -0.02 0.00 0.00 33.50 32.74 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 1.10 0.05 -0.38 -0.52 1.57 -1.91 -2.97 116.57 113.51 1nf3 h LYS 183 Ca -0.37 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.43 1nf3 h LYS 183 Cb 1.39 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.70 1nf3 h LYS 183 CO 0.55 0.74 0.26 -0.22 -0.57 0.00 0.00 179.45 180.21 1nf3 h LYS 184 N 0.03 0.20 0.00 3.15 3.64 -1.95 -0.50 116.57 121.15 1nf3 h LYS 184 Ca -0.01 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1nf3 h LYS 184 Cb 1.26 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1nf3 h LYS 184 CO 0.10 0.13 0.00 0.66 -2.27 0.00 0.00 179.45 178.07 1nf3 h SER 185 N 0.21 0.00 0.40 4.20 4.64 -1.88 -2.98 113.55 118.14 1nf3 h SER 185 Ca 0.17 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.45 1nf3 h SER 185 Cb 0.42 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 1nf3 h SER 185 CO -0.03 0.00 -1.65 -1.14 -0.87 0.00 0.00 176.83 173.14 1nf3 n ARG 186 N -2.81 0.64 -2.19 4.77 0.63 -0.27 -4.90 116.66 112.53 1nf3 n ARG 186 Ca 0.02 -0.04 -0.42 0.00 -0.92 0.00 0.00 57.85 56.49 1nf3 n ARG 186 Cb 0.36 -1.65 -0.03 0.00 0.45 0.00 0.00 32.46 31.59 1nf3 n ARG 186 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1nf3 s ARG 187 N -3.33 4.27 0.10 -0.14 3.52 -0.76 -3.57 118.95 119.05 1nf3 s ARG 187 Ca -0.05 2.01 -0.35 0.00 -0.13 0.00 0.00 55.73 57.21 1nf3 s ARG 187 Cb 0.11 -3.56 -0.14 0.00 -1.56 0.00 0.00 34.95 29.80 1nf3 s ARG 187 CO 0.85 -0.59 1.56 0.00 -0.81 0.00 0.00 175.30 176.32 1nf3 s VAL 189 N 1.25 3.58 0.00 0.00 1.01 -1.26 -0.76 120.40 124.22 1nf3 s VAL 189 Ca 0.82 -1.49 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1nf3 s VAL 189 Cb -0.75 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 32.44 1nf3 s VAL 189 CO 0.42 -0.37 0.26 -0.11 0.00 0.00 0.00 175.10 175.30