#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l3k n GLU 9 N 0.00 1.93 -1.60 1.64 4.71 -1.26 -4.87 120.64 121.19 1l3k n GLU 9 Ca 0.00 0.69 -0.48 0.00 -0.01 0.00 0.00 57.16 57.36 1l3k n GLU 9 Cb 0.00 -2.49 -0.04 0.00 -1.01 0.00 0.00 31.44 27.91 1l3k n GLU 9 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 1l3k n PRO 10 N -0.30 1.34 -0.24 3.49 -0.02 -1.26 -4.86 135.00 133.14 1l3k n PRO 10 Ca 0.07 0.48 0.12 0.00 -2.02 0.00 0.00 63.50 62.15 1l3k n PRO 10 Cb 0.42 -2.00 0.40 0.00 -0.02 0.00 0.00 33.50 32.29 1l3k n PRO 10 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1l3k h GLU 11 N 3.48 0.64 -0.26 -0.52 4.81 -1.97 -1.08 114.58 119.68 1l3k h GLU 11 Ca -0.43 -0.04 0.08 0.00 -0.13 0.00 0.00 59.36 58.83 1l3k h GLU 11 Cb 1.33 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 1l3k h GLU 11 CO 0.71 0.42 0.19 0.37 -0.73 0.00 0.00 179.01 179.97 1l3k h GLN 12 N 0.65 0.00 -0.00 1.92 5.75 -1.97 0.11 115.11 121.57 1l3k h GLN 12 Ca 0.42 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.92 1l3k h GLN 12 Cb 0.70 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.25 1l3k h GLN 12 CO -0.18 0.00 -0.05 1.28 -2.65 0.00 0.00 178.83 177.23 1l3k n LEU 13 N -4.45 0.34 -0.58 -2.39 4.77 -0.41 -3.37 117.00 110.91 1l3k n LEU 13 Ca 0.03 0.03 0.06 0.00 -0.03 0.00 0.00 56.01 56.10 1l3k n LEU 13 Cb 0.34 -0.15 0.11 0.00 -2.33 0.00 0.00 43.42 41.39 1l3k n LEU 13 CO 0.35 0.06 0.54 0.54 -1.33 0.00 0.00 177.39 177.56 1l3k n ARG 14 N -0.95 1.79 -4.08 3.23 1.74 0.37 -4.73 116.66 114.02 1l3k n ARG 14 Ca 0.17 -1.66 -0.36 0.00 -0.77 0.00 0.00 57.85 55.23 1l3k n ARG 14 Cb 0.24 -1.26 -0.08 0.00 -1.02 0.00 0.00 32.46 30.34 1l3k n ARG 14 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1l3k s LYS 15 N -0.99 3.41 -0.12 5.56 2.20 -1.14 -0.65 119.74 128.01 1l3k s LYS 15 Ca 0.19 -0.28 0.01 0.00 -0.36 0.00 0.00 55.97 55.54 1l3k s LYS 15 Cb 0.11 -3.06 -0.01 0.00 -1.51 0.00 0.00 37.83 33.36 1l3k s LYS 15 CO 0.16 0.63 -0.16 -0.51 -0.36 0.00 0.00 175.35 175.11 1l3k s LEU 16 N -0.63 2.57 -0.01 5.43 1.43 0.80 -2.44 118.68 125.83 1l3k s LEU 16 Ca 0.12 -0.37 -0.27 0.00 -1.03 0.00 0.00 54.13 52.57 1l3k s LEU 16 Cb -0.12 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 1l3k s LEU 16 CO 0.02 0.18 0.87 0.12 0.23 0.00 0.00 176.35 177.78 1l3k s PHE 17 N 0.25 3.64 -0.34 0.29 5.36 0.53 -0.91 117.98 126.80 1l3k s PHE 17 Ca -0.11 1.54 -0.01 0.00 -0.96 0.00 0.00 56.93 57.40 1l3k s PHE 17 Cb -0.16 -2.99 0.08 0.00 -0.34 0.00 0.00 43.02 39.61 1l3k s PHE 17 CO 0.06 0.05 0.07 0.42 -1.46 0.00 0.00 175.22 174.36 1l3k s ILE 18 N 0.83 2.87 0.45 3.12 -1.09 0.82 -0.41 121.20 127.79 1l3k s ILE 18 Ca 0.46 -1.83 0.00 0.00 -2.23 0.00 0.00 60.65 57.05 1l3k s ILE 18 Cb -0.20 -2.86 -0.00 0.00 -1.58 0.00 0.00 42.46 37.82 1l3k s ILE 18 CO 0.24 -0.40 0.67 -0.83 -1.23 0.00 0.00 174.94 173.40 1l3k s GLY 19 N 1.36 1.57 -0.24 6.18 0.00 -0.22 -1.14 107.32 114.82 1l3k s GLY 19 Ca 0.02 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.70 1l3k s GLY 19 CO -0.04 -0.87 0.00 0.61 0.00 0.00 0.00 173.10 172.80 1l3k n GLY 20 N -2.09 0.48 3.76 0.20 0.00 -0.91 -0.18 105.19 106.45 1l3k n GLY 20 Ca 0.01 -0.92 -0.38 0.00 0.00 0.00 0.00 46.02 44.74 1l3k n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1l3k s LEU 21 N -0.59 3.89 0.32 0.99 1.43 0.16 -4.54 118.68 120.32 1l3k s LEU 21 Ca 0.00 2.61 -0.29 0.00 -1.03 0.00 0.00 54.13 55.43 1l3k s LEU 21 Cb 0.00 -4.28 -0.13 0.00 0.03 0.00 0.00 46.19 41.81 1l3k s LEU 21 CO 0.00 -1.39 1.28 -0.24 0.23 0.00 0.00 176.35 176.24 1l3k n SER 22 N -0.90 2.62 0.21 2.29 2.88 -1.26 -4.70 113.62 114.75 1l3k n SER 22 Ca 0.10 1.19 0.15 0.00 -1.33 0.00 0.00 58.87 58.98 1l3k n SER 22 Cb 0.46 -1.45 0.59 0.00 -0.75 0.00 0.00 64.21 63.06 1l3k n SER 22 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 1l3k h PHE 23 N 2.80 0.00 0.00 0.66 0.05 -1.93 -0.95 116.94 117.56 1l3k h PHE 23 Ca -0.45 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.31 1l3k h PHE 23 Cb 1.29 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 39.23 1l3k h PHE 23 CO 0.51 0.00 -0.11 0.93 -0.18 0.00 0.00 178.31 179.46 1l3k h GLU 24 N 0.00 0.00 -6.65 1.51 4.39 -1.96 -3.40 114.58 108.46 1l3k h GLU 24 Ca 0.00 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.17 1l3k h GLU 24 Cb 0.46 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.15 1l3k h GLU 24 CO 0.00 0.11 0.74 0.99 -1.16 0.00 0.00 179.01 179.69 1l3k s THR 25 N -3.36 2.96 0.33 1.13 2.01 -0.36 -5.01 115.64 113.33 1l3k s THR 25 Ca 0.04 0.75 0.08 0.00 0.31 0.00 0.00 61.69 62.87 1l3k s THR 25 Cb 0.07 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 69.07 1l3k s THR 25 CO 0.64 0.09 0.25 0.42 -0.69 0.00 0.00 174.62 175.33 1l3k s THR 26 N 0.50 3.46 0.27 -0.82 -4.23 -1.26 -4.96 115.64 108.58 1l3k s THR 26 Ca 0.62 -1.45 -0.00 0.00 -1.18 0.00 0.00 61.69 59.67 1l3k s THR 26 Cb -0.39 -3.14 0.25 0.00 1.34 0.00 0.00 72.50 70.56 1l3k s THR 26 CO 0.37 -0.19 1.79 0.44 -0.54 0.00 0.00 174.62 176.49 1l3k h ASP 27 N 1.34 0.68 -0.39 3.99 3.32 -1.91 0.62 116.42 124.07 1l3k h ASP 27 Ca -0.45 0.07 -0.13 0.00 0.02 0.00 0.00 57.03 56.55 1l3k h ASP 27 Cb 1.25 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 1l3k h ASP 27 CO 0.60 0.32 -0.26 -0.33 -1.72 0.00 0.00 179.24 177.84 1l3k h GLU 28 N 0.76 0.86 0.02 3.56 3.07 -1.95 -0.59 114.58 120.30 1l3k h GLU 28 Ca 0.47 -0.41 -0.21 0.00 -0.50 0.00 0.00 59.36 58.71 1l3k h GLU 28 Cb 0.59 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.48 1l3k h GLU 28 CO -0.32 1.05 -1.00 0.66 -1.40 0.00 0.00 179.01 178.00 1l3k h SER 29 N 0.66 0.11 -0.78 1.42 4.64 -1.82 0.11 113.55 117.90 1l3k h SER 29 Ca 0.08 -0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.26 1l3k h SER 29 Cb 0.84 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 62.85 1l3k h SER 29 CO 0.07 1.04 0.38 0.25 -0.87 0.00 0.00 176.83 177.70 1l3k h LEU 30 N 0.03 1.01 -0.18 5.97 5.85 -0.86 -1.54 115.31 125.59 1l3k h LEU 30 Ca -0.04 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 1l3k h LEU 30 Cb 1.72 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.48 1l3k h LEU 30 CO 0.14 0.86 0.00 -0.09 -0.34 0.00 0.00 178.44 179.02 1l3k h ARG 31 N 1.09 0.32 -0.77 1.25 2.43 -0.93 -1.08 114.38 116.69 1l3k h ARG 31 Ca 0.27 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1l3k h ARG 31 Cb 0.11 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 1l3k h ARG 31 CO -0.03 0.52 0.50 0.77 -1.51 0.00 0.00 179.97 180.22 1l3k h SER 32 N 0.07 0.89 0.49 -3.80 0.02 -0.84 0.14 113.55 110.52 1l3k h SER 32 Ca 0.05 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1l3k h SER 32 Cb 0.37 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1l3k h SER 32 CO 0.01 0.65 -0.23 -0.74 -1.14 0.00 0.00 176.83 175.37 1l3k h HIS 33 N 1.04 -0.61 0.00 3.45 -0.00 -1.09 -3.29 115.15 114.66 1l3k h HIS 33 Ca 0.28 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.64 1l3k h HIS 33 Cb -0.11 0.20 0.00 0.00 -0.00 0.00 0.00 27.41 27.50 1l3k h HIS 33 CO 0.00 -0.30 0.00 1.19 -0.00 0.00 0.00 177.93 178.82 1l3k n PHE 34 N -5.30 0.76 0.34 5.26 3.01 -0.43 -2.00 117.46 119.11 1l3k n PHE 34 Ca -0.11 0.23 0.05 0.00 1.01 0.00 0.00 57.45 58.62 1l3k n PHE 34 Cb 0.31 -0.87 0.21 0.00 -0.01 0.00 0.00 39.48 39.11 1l3k n PHE 34 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1l3k n GLU 35 N -2.13 0.01 0.30 -1.08 1.02 0.45 -1.81 120.64 117.40 1l3k n GLU 35 Ca 0.05 0.33 0.17 0.00 -0.02 0.00 0.00 57.16 57.70 1l3k n GLU 35 Cb 0.40 -1.50 0.94 0.00 -0.02 0.00 0.00 31.44 31.25 1l3k n GLU 35 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1l3k h GLN 36 N 0.00 0.00 -0.21 3.49 4.15 -1.54 -3.01 115.11 117.99 1l3k h GLN 36 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1l3k h GLN 36 Cb 0.16 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1l3k h GLN 36 CO 0.00 0.04 0.00 0.91 -1.93 0.00 0.00 178.83 177.85 1l3k n TRP 37 N -3.41 0.28 0.00 3.99 8.01 -0.75 -5.06 117.44 120.50 1l3k n TRP 37 Ca -0.02 -0.37 0.00 0.00 -1.31 0.00 0.00 57.50 55.80 1l3k n TRP 37 Cb 0.16 -0.02 0.00 0.00 -2.01 0.00 0.00 31.31 29.43 1l3k n TRP 37 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1l3k n GLY 38 N 0.37 1.02 3.69 6.99 0.00 -1.14 -4.58 105.19 111.54 1l3k n GLY 38 Ca 0.08 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 1l3k n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1l3k s THR 39 N -2.00 3.84 -0.28 2.61 2.01 -1.26 -4.27 115.64 116.28 1l3k s THR 39 Ca 0.00 1.20 -0.11 0.00 0.31 0.00 0.00 61.69 63.09 1l3k s THR 39 Cb 0.00 -3.77 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 1l3k s THR 39 CO 0.00 -0.01 0.18 -0.76 -0.69 0.00 0.00 174.62 173.35 1l3k s LEU 40 N 2.41 4.01 0.16 4.42 1.43 -1.26 -1.09 118.68 128.76 1l3k s LEU 40 Ca 0.62 -0.05 0.24 0.00 -1.03 0.00 0.00 54.13 53.91 1l3k s LEU 40 Cb -0.30 -2.11 0.36 0.00 0.03 0.00 0.00 46.19 44.17 1l3k s LEU 40 CO 0.25 -0.06 1.36 0.71 0.23 0.00 0.00 176.35 178.84 1l3k h THR 41 N 5.39 0.00 -2.74 5.49 1.35 -0.75 -3.47 112.91 118.18 1l3k h THR 41 Ca -0.35 -0.58 -0.06 0.00 -0.55 0.00 0.00 66.41 64.86 1l3k h THR 41 Cb 1.19 1.23 -0.17 0.00 -1.73 0.00 0.00 68.15 68.67 1l3k h THR 41 CO 0.56 0.00 0.02 -0.62 -0.25 0.00 0.00 175.52 175.23 1l3k s ASP 42 N -4.53 -0.43 -0.30 5.36 2.15 -1.14 -4.97 116.67 112.81 1l3k s ASP 42 Ca 0.06 0.20 -0.08 0.00 0.43 0.00 0.00 52.55 53.15 1l3k s ASP 42 Cb 0.12 0.48 0.17 0.00 -0.30 0.00 0.00 42.92 43.39 1l3k s ASP 42 CO 0.71 -0.69 0.80 0.00 -0.17 0.00 0.00 175.17 175.82 1l3k s VAL 44 N 2.81 0.16 -0.16 0.00 1.01 -0.14 -4.82 120.40 119.26 1l3k s VAL 44 Ca 0.06 0.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.93 1l3k s VAL 44 Cb -0.11 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1l3k s VAL 44 CO -0.17 0.12 0.47 -0.69 0.00 0.00 0.00 175.10 174.83 1l3k s VAL 45 N 0.82 5.17 0.06 2.92 1.01 -1.26 -0.73 120.40 128.39 1l3k s VAL 45 Ca -0.08 0.89 -0.30 0.00 0.00 0.00 0.00 61.98 62.48 1l3k s VAL 45 Cb -0.11 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 1l3k s VAL 45 CO -0.02 0.26 1.12 -0.04 0.00 0.00 0.00 175.10 176.43 1l3k s MET 46 N 1.10 4.49 0.17 2.72 -1.94 0.06 -4.92 119.30 120.98 1l3k s MET 46 Ca 0.24 1.66 0.06 0.00 -1.71 0.00 0.00 55.69 55.94 1l3k s MET 46 Cb -0.15 -3.37 -0.05 0.00 2.01 0.00 0.00 34.83 33.28 1l3k s MET 46 CO 0.09 -0.15 -0.12 1.03 -0.01 0.00 0.00 175.02 175.86 1l3k s ARG 47 N 0.84 1.18 0.27 2.03 0.52 -1.26 -0.14 118.95 122.39 1l3k s ARG 47 Ca 0.55 -1.50 -0.30 0.00 -0.52 0.00 0.00 55.73 53.97 1l3k s ARG 47 Cb -0.27 -0.86 -0.10 0.00 0.52 0.00 0.00 34.95 34.24 1l3k s ARG 47 CO 0.30 0.13 1.43 0.34 0.02 0.00 0.00 175.30 177.52 1l3k s ASP 48 N -3.20 6.63 0.52 0.23 2.15 0.10 -4.83 116.67 118.27 1l3k s ASP 48 Ca 0.19 2.72 0.27 0.00 0.43 0.00 0.00 52.55 56.16 1l3k s ASP 48 Cb 0.01 -2.63 1.43 0.00 -0.30 0.00 0.00 42.92 41.43 1l3k s ASP 48 CO 0.03 -0.71 2.07 1.55 -0.17 0.00 0.00 175.17 177.95 1l3k h PRO 49 N 4.61 0.00 0.00 4.34 0.13 -1.97 -1.83 132.00 137.28 1l3k h PRO 49 Ca -0.47 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.29 1l3k h PRO 49 Cb 1.22 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 1l3k h PRO 49 CO 0.75 0.12 -2.32 0.09 -0.23 0.00 0.00 178.00 176.41 1l3k n ASN 50 N -3.67 1.94 0.10 1.44 3.02 -1.26 -4.63 115.26 112.20 1l3k n ASN 50 Ca -0.02 0.11 0.12 0.00 -0.03 0.00 0.00 54.58 54.76 1l3k n ASN 50 Cb 0.24 -0.55 0.07 0.00 -0.61 0.00 0.00 39.78 38.92 1l3k n ASN 50 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1l3k h THR 51 N -0.49 0.00 0.00 3.41 1.35 -1.97 -3.47 112.91 111.74 1l3k h THR 51 Ca -0.56 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.46 1l3k h THR 51 Cb 1.64 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.46 1l3k h THR 51 CO -0.24 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.32 1l3k n LYS 52 N -2.54 -0.32 -1.66 4.72 5.02 -0.69 -4.97 118.16 117.72 1l3k n LYS 52 Ca 0.01 0.08 -0.48 0.00 -2.02 0.00 0.00 58.31 55.91 1l3k n LYS 52 Cb 0.51 -4.31 -0.05 0.00 -0.02 0.00 0.00 35.03 31.17 1l3k n LYS 52 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1l3k n ARG 53 N -1.54 2.00 -1.58 1.97 0.63 -1.26 -4.57 116.66 112.30 1l3k n ARG 53 Ca 0.00 0.72 -0.45 0.00 -0.92 0.00 0.00 57.85 57.20 1l3k n ARG 53 Cb 0.08 -2.49 -0.02 0.00 0.45 0.00 0.00 32.46 30.48 1l3k n ARG 53 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1l3k n SER 54 N 4.13 1.17 -0.49 6.15 2.88 -1.26 -0.72 113.62 125.48 1l3k n SER 54 Ca 0.19 1.17 0.13 0.00 -1.33 0.00 0.00 58.87 59.03 1l3k n SER 54 Cb 0.27 -1.26 0.50 0.00 -0.75 0.00 0.00 64.21 62.97 1l3k n SER 54 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1l3k n ARG 55 N 0.90 1.67 -0.72 -1.46 1.74 0.80 -4.77 116.66 114.83 1l3k n ARG 55 Ca 0.11 -0.98 0.00 0.00 -0.77 0.00 0.00 57.85 56.20 1l3k n ARG 55 Cb 0.30 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 1l3k n ARG 55 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1l3k n GLY 56 N 1.16 0.59 3.43 -0.13 0.00 -1.26 -5.00 105.19 103.99 1l3k n GLY 56 Ca 0.18 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 1l3k n GLY 56 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1l3k s PHE 57 N -2.00 0.23 0.00 1.61 -0.12 -1.26 -0.67 117.98 115.77 1l3k s PHE 57 Ca 0.00 -0.59 0.00 0.00 -0.05 0.00 0.00 56.93 56.29 1l3k s PHE 57 Cb 0.00 0.12 0.00 0.00 -0.63 0.00 0.00 43.02 42.51 1l3k s PHE 57 CO 0.00 -0.82 0.00 0.41 -0.05 0.00 0.00 175.22 174.76 1l3k n GLY 58 N -0.28 2.00 3.11 1.99 0.00 -0.30 -0.76 105.19 110.96 1l3k n GLY 58 Ca -0.07 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 1l3k n GLY 58 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1l3k s PHE 59 N -8.67 0.10 0.05 1.61 -0.12 0.10 -0.13 117.98 110.92 1l3k s PHE 59 Ca 0.00 -0.28 0.06 0.00 -0.05 0.00 0.00 56.93 56.66 1l3k s PHE 59 Cb 0.00 -0.08 -0.03 0.00 -0.63 0.00 0.00 43.02 42.28 1l3k s PHE 59 CO 0.00 -0.32 -0.16 0.14 -0.05 0.00 0.00 175.22 174.83 1l3k s VAL 60 N -1.91 1.27 -0.12 -2.49 -7.23 -0.09 -0.96 120.40 108.86 1l3k s VAL 60 Ca -0.11 -1.17 0.01 0.00 -1.81 0.00 0.00 61.98 58.91 1l3k s VAL 60 Cb -0.05 -1.16 0.02 0.00 0.56 0.00 0.00 36.38 35.75 1l3k s VAL 60 CO -0.01 -0.02 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.72 1l3k s THR 61 N -0.98 1.48 0.48 5.32 2.01 -0.01 -0.14 115.64 123.80 1l3k s THR 61 Ca 0.02 -0.61 -0.02 0.00 0.31 0.00 0.00 61.69 61.40 1l3k s THR 61 Cb -0.09 -1.38 -0.01 0.00 0.01 0.00 0.00 72.50 71.03 1l3k s THR 61 CO 0.02 0.44 0.73 -0.31 -0.69 0.00 0.00 174.62 174.81 1l3k s TYR 62 N 1.25 3.32 0.18 4.92 1.51 0.17 -0.06 117.35 128.64 1l3k s TYR 62 Ca -0.01 0.44 0.16 0.00 -1.01 0.00 0.00 57.07 56.65 1l3k s TYR 62 Cb -0.14 -2.36 0.53 0.00 -0.11 0.00 0.00 41.96 39.88 1l3k s TYR 62 CO -0.06 -0.40 1.67 0.00 -1.11 0.00 0.00 175.55 175.65 1l3k h ALA 63 N 0.27 0.96 -2.34 3.71 0.00 -1.42 -3.43 119.26 117.01 1l3k h ALA 63 Ca -0.47 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 53.89 1l3k h ALA 63 Cb 1.24 -0.08 -0.16 0.00 0.00 0.00 0.00 17.79 18.80 1l3k h ALA 63 CO 0.59 0.59 -0.68 0.95 0.00 0.00 0.00 179.25 180.70 1l3k s THR 64 N -3.55 0.22 0.31 0.00 -4.23 -1.26 -4.80 115.64 102.33 1l3k s THR 64 Ca -0.00 -1.70 0.04 0.00 -1.18 0.00 0.00 61.69 58.85 1l3k s THR 64 Cb 0.11 -1.36 0.11 0.00 1.34 0.00 0.00 72.50 72.70 1l3k s THR 64 CO 0.72 -0.93 1.80 0.58 -0.54 0.00 0.00 174.62 176.24 1l3k h VAL 65 N 3.34 1.23 -0.25 2.29 2.07 -1.89 -2.20 116.25 120.84 1l3k h VAL 65 Ca -0.34 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 1l3k h VAL 65 Cb 1.15 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1l3k h VAL 65 CO 0.63 0.34 0.13 -0.33 0.02 0.00 0.00 177.57 178.36 1l3k h GLU 66 N 0.43 0.34 -0.38 1.57 5.08 -1.96 0.31 114.58 119.98 1l3k h GLU 66 Ca 0.08 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.25 1l3k h GLU 66 Cb 0.52 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1l3k h GLU 66 CO 0.03 0.26 -0.39 0.93 -1.00 0.00 0.00 179.01 178.84 1l3k h GLU 67 N 0.35 0.91 -0.61 2.33 5.08 -1.67 -0.60 114.58 120.37 1l3k h GLU 67 Ca 0.09 -0.48 0.08 0.00 -1.00 0.00 0.00 59.36 58.05 1l3k h GLU 67 Cb 0.02 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.22 1l3k h GLU 67 CO -0.01 1.13 0.26 0.28 -1.00 0.00 0.00 179.01 179.67 1l3k h VAL 68 N 0.75 0.83 -0.69 3.13 2.07 -0.94 0.04 116.25 121.43 1l3k h VAL 68 Ca 0.06 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1l3k h VAL 68 Cb 0.98 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1l3k h VAL 68 CO 0.09 0.09 0.43 0.44 0.02 0.00 0.00 177.57 178.64 1l3k h ASP 69 N 0.48 0.82 -0.35 0.57 3.32 -0.65 0.14 116.42 120.74 1l3k h ASP 69 Ca 0.30 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1l3k h ASP 69 Cb 0.32 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1l3k h ASP 69 CO -0.26 0.62 0.22 0.00 -1.72 0.00 0.00 179.24 178.10 1l3k h ALA 70 N 1.23 0.44 -0.48 3.45 0.00 -0.39 0.14 119.26 123.64 1l3k h ALA 70 Ca 0.25 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1l3k h ALA 70 Cb -0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1l3k h ALA 70 CO -0.05 -0.08 0.27 0.00 0.00 0.00 0.00 179.25 179.39 1l3k h ALA 71 N 1.11 0.61 -0.29 0.00 0.00 -0.48 -1.39 119.26 118.82 1l3k h ALA 71 Ca 0.13 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1l3k h ALA 71 Cb -0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1l3k h ALA 71 CO -0.03 0.12 -0.14 0.52 0.00 0.00 0.00 179.25 179.73 1l3k h MET 72 N 0.63 0.50 0.00 0.00 2.07 -0.33 -1.86 114.93 115.94 1l3k h MET 72 Ca 0.17 -0.15 0.00 0.00 -2.07 0.00 0.00 59.70 57.65 1l3k h MET 72 Cb 0.03 -0.05 0.00 0.00 -1.87 0.00 0.00 31.60 29.71 1l3k h MET 72 CO -0.03 0.63 0.00 -0.91 1.07 0.00 0.00 176.91 177.67 1l3k h ASN 73 N 0.46 0.00 -0.09 1.22 2.35 -0.24 -2.39 115.58 116.90 1l3k h ASN 73 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1l3k h ASN 73 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 1l3k h ASN 73 CO 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.81 1l3k n ALA 74 N -2.02 2.55 -1.31 -0.83 0.00 -0.57 -4.87 120.51 113.46 1l3k n ALA 74 Ca 0.01 -0.46 -0.35 0.00 0.00 0.00 0.00 53.44 52.64 1l3k n ALA 74 Cb 0.31 -1.15 0.10 0.00 0.00 0.00 0.00 19.45 18.72 1l3k n ALA 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1l3k n ARG 75 N 0.17 0.47 -2.46 0.00 1.74 -0.90 -4.23 116.66 111.46 1l3k n ARG 75 Ca 0.18 0.23 -0.38 0.00 -0.77 0.00 0.00 57.85 57.10 1l3k n ARG 75 Cb 0.33 -2.34 -0.04 0.00 -1.02 0.00 0.00 32.46 29.39 1l3k n ARG 75 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1l3k s PRO 76 N -3.62 4.28 -0.26 5.56 0.02 -1.26 -5.10 135.00 134.62 1l3k s PRO 76 Ca 0.75 1.69 -0.09 0.00 0.02 0.00 0.00 61.00 63.37 1l3k s PRO 76 Cb -0.33 -2.77 -0.04 0.00 0.02 0.00 0.00 34.50 31.38 1l3k s PRO 76 CO 0.49 -0.08 0.11 -1.01 -0.33 0.00 0.00 177.00 176.18 1l3k s HIS 77 N -1.44 3.15 -0.38 6.54 3.76 -1.26 -5.05 115.29 120.61 1l3k s HIS 77 Ca 0.54 -0.18 -0.11 0.00 -0.15 0.00 0.00 55.06 55.15 1l3k s HIS 77 Cb -0.27 -2.28 0.03 0.00 1.11 0.00 0.00 32.58 31.17 1l3k s HIS 77 CO 0.35 -0.24 0.21 0.21 -0.85 0.00 0.00 174.74 174.42 1l3k s LYS 78 N 1.56 2.81 -0.21 1.40 2.20 -1.26 -0.97 119.74 125.27 1l3k s LYS 78 Ca 0.06 -1.10 -0.02 0.00 -0.36 0.00 0.00 55.97 54.55 1l3k s LYS 78 Cb -0.15 -3.75 0.01 0.00 -1.51 0.00 0.00 37.83 32.42 1l3k s LYS 78 CO 0.06 -0.72 -0.09 0.08 -0.36 0.00 0.00 175.35 174.32 1l3k s VAL 79 N 1.55 2.90 -1.45 4.02 1.01 0.57 -4.55 120.40 124.46 1l3k s VAL 79 Ca 0.02 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.22 1l3k s VAL 79 Cb -0.19 -2.32 0.04 0.00 0.00 0.00 0.00 36.38 33.90 1l3k s VAL 79 CO 0.07 0.43 0.68 0.47 0.00 0.00 0.00 175.10 176.75 1l3k n ASP 80 N 4.73 -5.23 0.00 3.32 8.00 -1.26 -2.04 116.55 124.07 1l3k n ASP 80 Ca -0.19 -0.41 0.00 0.00 0.71 0.00 0.00 54.79 54.90 1l3k n ASP 80 Cb 0.50 -4.23 0.00 0.00 -0.02 0.00 0.00 41.12 37.37 1l3k n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1l3k n GLY 81 N -1.49 0.85 3.13 0.44 0.00 -1.26 -4.87 105.19 102.00 1l3k n GLY 81 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 1l3k n GLY 81 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1l3k s ARG 82 N -0.62 1.73 -0.03 1.61 3.52 -0.87 -5.07 118.95 119.23 1l3k s ARG 82 Ca 0.00 -0.60 -0.30 0.00 -0.13 0.00 0.00 55.73 54.70 1l3k s ARG 82 Cb 0.00 -1.52 -0.04 0.00 -1.56 0.00 0.00 34.95 31.83 1l3k s ARG 82 CO 0.00 0.25 1.25 0.08 -0.81 0.00 0.00 175.30 176.07 1l3k s VAL 83 N 0.02 4.09 0.50 7.11 1.01 -1.26 -0.31 120.40 131.56 1l3k s VAL 83 Ca -0.03 1.44 0.08 0.00 0.00 0.00 0.00 61.98 63.47 1l3k s VAL 83 Cb -0.11 -3.93 0.03 0.00 0.00 0.00 0.00 36.38 32.37 1l3k s VAL 83 CO 0.02 0.01 0.52 0.68 0.00 0.00 0.00 175.10 176.33 1l3k s VAL 84 N 2.13 2.26 -0.47 2.92 -7.23 -0.14 -4.85 120.40 115.01 1l3k s VAL 84 Ca 0.58 -1.25 0.03 0.00 -1.81 0.00 0.00 61.98 59.53 1l3k s VAL 84 Cb -0.27 -2.51 0.14 0.00 0.56 0.00 0.00 36.38 34.30 1l3k s VAL 84 CO 0.24 0.00 0.26 -0.70 -0.31 0.00 0.00 175.10 174.59 1l3k s GLU 85 N -4.35 1.50 0.19 4.82 2.12 0.75 -4.58 118.70 119.15 1l3k s GLU 85 Ca 0.49 -2.22 -0.30 0.00 0.36 0.00 0.00 54.97 53.29 1l3k s GLU 85 Cb -0.04 -2.61 -0.08 0.00 0.26 0.00 0.00 34.13 31.66 1l3k s GLU 85 CO 0.30 -1.16 0.99 -2.14 -0.54 0.00 0.00 175.26 172.71 1l3k s PRO 86 N 0.10 4.73 -0.01 4.30 0.02 -1.26 -1.06 135.00 141.83 1l3k s PRO 86 Ca 0.18 1.56 -0.02 0.00 0.02 0.00 0.00 61.00 62.73 1l3k s PRO 86 Cb -0.23 -3.30 -0.00 0.00 0.02 0.00 0.00 34.50 30.99 1l3k s PRO 86 CO -0.01 0.31 0.05 0.15 -0.33 0.00 0.00 177.00 177.17 1l3k s LYS 87 N -0.69 0.19 0.53 5.54 1.02 0.45 -4.97 119.74 121.81 1l3k s LYS 87 Ca 0.45 -0.16 -0.22 0.00 0.02 0.00 0.00 55.97 56.06 1l3k s LYS 87 Cb -0.26 0.08 -0.05 0.00 -0.52 0.00 0.00 37.83 37.07 1l3k s LYS 87 CO 0.33 -0.03 1.35 1.03 -0.92 0.00 0.00 175.35 177.10 1l3k s ARG 88 N -0.54 3.26 0.75 1.68 0.52 -1.26 -0.35 118.95 123.01 1l3k s ARG 88 Ca -0.06 2.21 -0.15 0.00 -0.52 0.00 0.00 55.73 57.20 1l3k s ARG 88 Cb -0.04 -2.32 0.03 0.00 0.52 0.00 0.00 34.95 33.15 1l3k s ARG 88 CO 0.00 -1.08 1.08 0.00 0.02 0.00 0.00 175.30 175.32 1l3k n ALA 89 N -0.88 -0.01 -1.53 2.13 0.00 -1.02 -4.74 120.51 114.46 1l3k n ALA 89 Ca 0.09 -0.22 -0.34 0.00 0.00 0.00 0.00 53.44 52.98 1l3k n ALA 89 Cb 0.45 -2.19 0.05 0.00 0.00 0.00 0.00 19.45 17.76 1l3k n ALA 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1l3k s VAL 90 N -1.87 3.00 0.00 0.00 -7.23 -1.26 -4.98 120.40 108.06 1l3k s VAL 90 Ca 0.74 0.50 0.00 0.00 -1.81 0.00 0.00 61.98 61.42 1l3k s VAL 90 Cb -0.33 -3.05 0.00 0.00 0.56 0.00 0.00 36.38 33.56 1l3k s VAL 90 CO 0.49 -0.25 0.00 -1.54 -0.31 0.00 0.00 175.10 173.49 1l3k n SER 91 N -2.26 4.12 -3.86 4.85 3.41 -1.26 -5.03 113.62 113.59 1l3k n SER 91 Ca 0.11 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.42 1l3k n SER 91 Cb 0.51 0.39 -0.15 0.00 -0.26 0.00 0.00 64.21 64.70 1l3k n SER 91 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1l3k s THR 103 N -1.83 1.38 0.20 6.66 2.01 -1.26 -5.16 115.64 117.64 1l3k s THR 103 Ca 0.00 -1.56 0.01 0.00 0.31 0.00 0.00 61.69 60.45 1l3k s THR 103 Cb 0.00 -1.93 -0.05 0.00 0.01 0.00 0.00 72.50 70.53 1l3k s THR 103 CO 0.00 -0.49 0.04 0.68 -0.69 0.00 0.00 174.62 174.16 1l3k s VAL 104 N 1.39 0.57 -0.54 3.82 -7.23 -1.26 -5.05 120.40 112.09 1l3k s VAL 104 Ca 0.06 -1.98 0.05 0.00 -1.81 0.00 0.00 61.98 58.29 1l3k s VAL 104 Cb -0.18 -2.29 0.08 0.00 0.56 0.00 0.00 36.38 34.54 1l3k s VAL 104 CO -0.15 -0.30 0.84 0.29 -0.31 0.00 0.00 175.10 175.47 1l3k n LYS 105 N -0.30 1.02 -4.68 4.82 5.02 -1.26 -4.31 118.16 118.46 1l3k n LYS 105 Ca -0.04 -1.19 -0.24 0.00 -2.02 0.00 0.00 58.31 54.83 1l3k n LYS 105 Cb 0.64 -1.11 -0.15 0.00 -0.02 0.00 0.00 35.03 34.40 1l3k n LYS 105 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1l3k s LYS 106 N -0.65 1.27 0.11 1.97 2.20 -1.26 -0.16 119.74 123.21 1l3k s LYS 106 Ca 0.08 -0.67 0.08 0.00 -0.36 0.00 0.00 55.97 55.10 1l3k s LYS 106 Cb 0.05 -1.26 -0.04 0.00 -1.51 0.00 0.00 37.83 35.07 1l3k s LYS 106 CO 0.07 0.34 -0.21 0.96 -0.36 0.00 0.00 175.35 176.15 1l3k s ILE 107 N -0.53 1.72 -0.00 5.43 -4.36 0.27 -0.54 121.20 123.19 1l3k s ILE 107 Ca 0.06 -1.58 -0.22 0.00 -0.26 0.00 0.00 60.65 58.65 1l3k s ILE 107 Cb -0.07 -1.58 -0.05 0.00 1.25 0.00 0.00 42.46 42.00 1l3k s ILE 107 CO 0.00 -0.09 0.64 0.12 0.24 0.00 0.00 174.94 175.85 1l3k s PHE 108 N -1.26 3.68 -0.24 1.37 5.36 0.26 -1.03 117.98 126.12 1l3k s PHE 108 Ca 0.07 1.25 0.00 0.00 -0.96 0.00 0.00 56.93 57.30 1l3k s PHE 108 Cb -0.10 -2.67 0.07 0.00 -0.34 0.00 0.00 43.02 39.98 1l3k s PHE 108 CO 0.04 0.30 -0.02 0.08 -1.46 0.00 0.00 175.22 174.16 1l3k s VAL 109 N -0.04 1.42 0.30 3.12 1.01 0.55 -1.66 120.40 125.10 1l3k s VAL 109 Ca 0.33 -1.24 0.08 0.00 0.00 0.00 0.00 61.98 61.15 1l3k s VAL 109 Cb -0.19 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 1l3k s VAL 109 CO 0.18 -0.20 0.14 -0.83 0.00 0.00 0.00 175.10 174.39 1l3k s GLY 110 N 1.43 1.75 0.00 4.51 0.00 0.17 -0.52 107.32 114.65 1l3k s GLY 110 Ca -0.03 -1.69 0.00 0.00 0.00 0.00 0.00 44.72 43.01 1l3k s GLY 110 CO -0.08 -1.67 0.00 0.61 0.00 0.00 0.00 173.10 171.96 1l3k n GLY 111 N -1.12 0.53 0.32 0.20 0.00 -0.83 -1.06 105.19 103.24 1l3k n GLY 111 Ca -0.05 -0.76 0.13 0.00 0.00 0.00 0.00 46.02 45.34 1l3k n GLY 111 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1l3k n ILE 112 N -2.77 0.00 -4.59 -0.61 -5.35 -0.77 -4.67 119.36 100.59 1l3k n ILE 112 Ca 0.00 -0.17 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1l3k n ILE 112 Cb 0.00 0.50 0.00 0.00 -1.74 0.00 0.00 39.64 38.40 1l3k n ILE 112 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1l3k n LYS 113 N -0.41 0.00 0.00 6.28 5.02 -1.24 -3.39 118.16 124.42 1l3k n LYS 113 Ca 0.13 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.53 1l3k n LYS 113 Cb 0.36 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.41 1l3k n LYS 113 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1l3k n GLU 114 N 0.00 1.67 -0.11 1.97 2.13 -1.26 -3.57 120.64 121.47 1l3k n GLU 114 Ca 0.00 -1.34 0.11 0.00 0.66 0.00 0.00 57.16 56.59 1l3k n GLU 114 Cb 0.00 -1.41 0.16 0.00 0.27 0.00 0.00 31.44 30.45 1l3k n GLU 114 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1l3k n ASP 115 N 0.55 3.14 -4.70 4.31 4.64 -1.26 -4.90 116.55 118.33 1l3k n ASP 115 Ca 0.10 -1.94 -0.39 0.00 -1.38 0.00 0.00 54.79 51.18 1l3k n ASP 115 Cb 0.48 -0.15 -0.06 0.00 -1.04 0.00 0.00 41.12 40.36 1l3k n ASP 115 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 1l3k s THR 116 N -1.56 5.10 0.41 5.18 2.01 -1.22 -5.04 115.64 120.52 1l3k s THR 116 Ca 0.32 1.16 0.07 0.00 0.31 0.00 0.00 61.69 63.55 1l3k s THR 116 Cb 0.20 -3.92 -0.05 0.00 0.01 0.00 0.00 72.50 68.74 1l3k s THR 116 CO 0.28 0.23 0.18 -1.61 -0.69 0.00 0.00 174.62 173.02 1l3k s GLU 117 N 1.10 2.23 0.36 4.92 0.41 -1.26 -5.01 118.70 121.45 1l3k s GLU 117 Ca 0.30 -1.82 0.04 0.00 -0.41 0.00 0.00 54.97 53.08 1l3k s GLU 117 Cb -0.16 -2.00 0.68 0.00 -1.78 0.00 0.00 34.13 30.87 1l3k s GLU 117 CO 0.12 -0.10 1.96 1.49 -0.49 0.00 0.00 175.26 178.24 1l3k h GLU 118 N 1.44 0.61 -0.00 1.61 4.81 -1.99 -2.40 114.58 118.65 1l3k h GLU 118 Ca -0.43 -0.08 -0.13 0.00 -0.13 0.00 0.00 59.36 58.59 1l3k h GLU 118 Cb 1.25 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 1l3k h GLU 118 CO 0.69 0.50 -0.61 1.12 -0.73 0.00 0.00 179.01 179.98 1l3k h HIS 119 N 0.61 0.01 -0.22 0.92 2.07 -1.98 0.19 115.15 116.75 1l3k h HIS 119 Ca 0.15 -0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 57.66 1l3k h HIS 119 Cb 0.12 -0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.08 1l3k h HIS 119 CO 0.01 0.62 0.12 0.45 -3.07 0.00 0.00 177.93 176.05 1l3k h HIS 120 N 0.01 0.31 -0.45 6.12 3.86 -1.84 0.22 115.15 123.37 1l3k h HIS 120 Ca -0.01 -0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.13 1l3k h HIS 120 Cb 1.09 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 29.44 1l3k h HIS 120 CO 0.00 0.29 0.02 -0.07 0.86 0.00 0.00 177.93 179.02 1l3k h LEU 121 N 0.25 0.77 -0.25 2.43 3.38 -1.28 -2.83 115.31 117.78 1l3k h LEU 121 Ca 0.08 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1l3k h LEU 121 Cb 0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1l3k h LEU 121 CO -0.01 0.88 0.03 -0.09 0.09 0.00 0.00 178.44 179.34 1l3k h ARG 122 N 0.64 0.42 -0.06 1.13 2.43 -0.53 0.70 114.38 119.12 1l3k h ARG 122 Ca 0.13 -0.12 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 1l3k h ARG 122 Cb 0.47 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1l3k h ARG 122 CO 0.02 0.56 -0.28 -0.44 -1.51 0.00 0.00 179.97 178.32 1l3k h ASP 123 N 0.22 0.10 0.16 -3.80 3.32 -0.94 0.69 116.42 116.16 1l3k h ASP 123 Ca 0.07 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1l3k h ASP 123 Cb 0.35 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1l3k h ASP 123 CO 0.01 0.39 -0.08 0.22 -1.72 0.00 0.00 179.24 178.06 1l3k h TYR 124 N 0.09 -0.20 0.00 4.55 3.20 -1.42 -3.39 116.97 119.80 1l3k h TYR 124 Ca 0.01 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 1l3k h TYR 124 Cb 0.55 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.88 1l3k h TYR 124 CO 0.00 -0.12 -0.14 0.74 -1.64 0.00 0.00 178.16 177.00 1l3k h PHE 125 N -1.00 0.00 0.00 -3.82 -1.00 -0.75 -2.75 116.94 107.63 1l3k h PHE 125 Ca -0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.76 1l3k h PHE 125 Cb 0.16 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.72 1l3k h PHE 125 CO 0.00 0.14 0.00 1.05 -1.61 0.00 0.00 178.31 177.89 1l3k h GLU 126 N 0.00 0.00 0.00 1.51 4.11 -1.05 0.04 114.58 119.19 1l3k h GLU 126 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1l3k h GLU 126 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1l3k h GLU 126 CO 0.02 0.00 0.00 1.04 0.07 0.00 0.00 179.01 180.14 1l3k n GLN 127 N -2.67 0.07 0.08 1.06 6.02 -1.04 -2.55 117.38 118.36 1l3k n GLN 127 Ca -0.01 0.14 0.11 0.00 -0.01 0.00 0.00 57.00 57.24 1l3k n GLN 127 Cb 0.14 -1.59 -0.02 0.00 1.02 0.00 0.00 30.24 29.79 1l3k n GLN 127 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1l3k n TYR 128 N -1.72 0.79 -1.59 1.08 4.02 -0.00 -5.06 117.16 114.68 1l3k n TYR 128 Ca 0.05 0.23 0.00 0.00 -0.01 0.00 0.00 57.90 58.17 1l3k n TYR 128 Cb 0.30 -0.87 0.00 0.00 -0.02 0.00 0.00 39.34 38.75 1l3k n TYR 128 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1l3k n GLY 129 N 1.20 -1.35 3.70 2.72 0.00 -1.06 -4.29 105.19 106.10 1l3k n GLY 129 Ca -0.01 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 1l3k n GLY 129 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1l3k s LYS 130 N -1.88 4.39 -0.05 1.61 2.20 -1.26 -4.31 119.74 120.44 1l3k s LYS 130 Ca 0.00 1.68 -0.17 0.00 -0.36 0.00 0.00 55.97 57.12 1l3k s LYS 130 Cb 0.00 -3.49 -0.05 0.00 -1.51 0.00 0.00 37.83 32.78 1l3k s LYS 130 CO 0.00 -0.36 0.46 0.42 -0.36 0.00 0.00 175.35 175.51 1l3k s ILE 131 N 1.77 5.07 -0.19 5.43 1.01 -1.26 -0.94 121.20 132.08 1l3k s ILE 131 Ca 0.56 0.93 0.05 0.00 0.00 0.00 0.00 60.65 62.19 1l3k s ILE 131 Cb -0.26 -3.78 -0.15 0.00 0.01 0.00 0.00 42.46 38.28 1l3k s ILE 131 CO 0.25 0.46 -0.13 -0.62 0.00 0.00 0.00 174.94 174.90 1l3k n GLU 132 N 2.69 0.72 -3.78 2.79 1.02 0.10 -4.87 120.64 119.31 1l3k n GLU 132 Ca -0.10 0.09 -0.14 0.00 -0.02 0.00 0.00 57.16 56.98 1l3k n GLU 132 Cb 0.52 -1.41 -0.15 0.00 -0.02 0.00 0.00 31.44 30.37 1l3k n GLU 132 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1l3k s VAL 133 N -2.41 -0.05 -0.15 2.62 1.01 -0.86 -4.99 120.40 115.58 1l3k s VAL 133 Ca -0.23 0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.93 1l3k s VAL 133 Cb 0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 36.38 36.34 1l3k s VAL 133 CO 0.52 0.07 -0.16 -0.63 0.00 0.00 0.00 175.10 174.89 1l3k s ILE 134 N 0.92 2.58 -0.29 2.22 1.01 -1.26 -0.26 121.20 126.12 1l3k s ILE 134 Ca -0.07 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 59.79 1l3k s ILE 134 Cb -0.11 -2.08 0.08 0.00 0.01 0.00 0.00 42.46 40.37 1l3k s ILE 134 CO -0.03 0.52 0.02 -0.70 0.00 0.00 0.00 174.94 174.75 1l3k s GLU 135 N 0.76 1.36 -0.15 2.79 2.12 0.47 -4.99 118.70 121.05 1l3k s GLU 135 Ca -0.07 -1.32 -0.22 0.00 0.36 0.00 0.00 54.97 53.72 1l3k s GLU 135 Cb -0.16 -2.65 -0.03 0.00 0.26 0.00 0.00 34.13 31.56 1l3k s GLU 135 CO 0.01 -0.81 0.67 0.42 -0.54 0.00 0.00 175.26 175.00 1l3k s ILE 136 N 1.28 5.02 0.05 -3.70 1.01 -1.26 -0.66 121.20 122.93 1l3k s ILE 136 Ca 0.04 1.30 -0.27 0.00 0.00 0.00 0.00 60.65 61.72 1l3k s ILE 136 Cb -0.19 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 1l3k s ILE 136 CO -0.12 0.15 0.85 -0.04 0.00 0.00 0.00 174.94 175.79 1l3k s MET 137 N 1.56 4.56 0.21 2.79 -1.94 -0.06 -4.98 119.30 121.43 1l3k s MET 137 Ca 0.32 1.22 0.10 0.00 -1.71 0.00 0.00 55.69 55.62 1l3k s MET 137 Cb -0.16 -3.39 -0.05 0.00 2.01 0.00 0.00 34.83 33.24 1l3k s MET 137 CO 0.13 0.19 -0.19 0.95 -0.01 0.00 0.00 175.02 176.09 1l3k s THR 138 N 0.21 2.08 0.16 2.05 -4.23 -1.26 -0.59 115.64 114.06 1l3k s THR 138 Ca 0.43 -2.15 -0.31 0.00 -1.18 0.00 0.00 61.69 58.49 1l3k s THR 138 Cb -0.21 -2.07 -0.09 0.00 1.34 0.00 0.00 72.50 71.48 1l3k s THR 138 CO 0.25 -0.37 1.38 -0.62 -0.54 0.00 0.00 174.62 174.72 1l3k s ASP 139 N -3.06 6.81 0.44 3.99 -1.08 0.26 -4.82 116.67 119.20 1l3k s ASP 139 Ca 0.22 2.41 0.10 0.00 -0.52 0.00 0.00 52.55 54.76 1l3k s ASP 139 Cb -0.05 -2.60 0.98 0.00 -1.46 0.00 0.00 42.92 39.79 1l3k s ASP 139 CO 0.10 -0.63 2.06 -0.09 0.52 0.00 0.00 175.17 177.12 1l3k h ARG 140 N 6.16 0.41 0.07 4.34 9.65 -1.96 0.11 114.38 133.16 1l3k h ARG 140 Ca -0.43 -0.02 -0.28 0.00 -1.10 0.00 0.00 59.98 58.14 1l3k h ARG 140 Cb 1.21 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 29.68 1l3k h ARG 140 CO 0.83 0.27 -1.49 0.78 2.80 0.00 0.00 179.97 183.16 1l3k h GLY 141 N 0.42 0.17 0.00 2.80 0.00 -1.98 -3.42 103.07 101.05 1l3k h GLY 141 Ca 0.15 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1l3k h GLY 141 CO -0.03 0.38 -1.54 -1.14 0.00 0.00 0.00 176.54 174.21 1l3k n SER 142 N -4.01 1.51 0.00 0.19 3.41 -1.16 -4.99 113.62 108.56 1l3k n SER 142 Ca -0.29 -0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.20 1l3k n SER 142 Cb 0.85 1.58 0.00 0.00 -0.26 0.00 0.00 64.21 66.38 1l3k n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1l3k n GLY 143 N 1.62 1.23 3.77 5.00 0.00 0.37 -4.95 105.19 112.23 1l3k n GLY 143 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1l3k n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1l3k s LYS 144 N -0.06 3.96 0.32 1.61 1.02 -1.26 -4.42 119.74 120.91 1l3k s LYS 144 Ca 0.00 2.04 -0.29 0.00 0.02 0.00 0.00 55.97 57.74 1l3k s LYS 144 Cb 0.00 -2.71 -0.11 0.00 -0.52 0.00 0.00 37.83 34.50 1l3k s LYS 144 CO 0.00 -0.46 1.51 0.15 -0.92 0.00 0.00 175.35 175.63 1l3k s LYS 145 N -2.29 4.16 0.00 1.68 1.02 -1.26 0.89 119.74 123.94 1l3k s LYS 145 Ca 0.58 2.50 0.24 0.00 0.02 0.00 0.00 55.97 59.31 1l3k s LYS 145 Cb -0.35 -3.02 0.39 0.00 -0.52 0.00 0.00 37.83 34.32 1l3k s LYS 145 CO 0.45 -0.52 1.33 0.54 -0.92 0.00 0.00 175.35 176.23 1l3k n ARG 146 N 1.50 0.18 -0.43 1.68 1.74 0.24 -4.78 116.66 116.80 1l3k n ARG 146 Ca 0.05 -0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 1l3k n ARG 146 Cb 0.39 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 1l3k n ARG 146 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1l3k n GLY 147 N 1.47 0.74 3.45 -0.13 0.00 -1.23 -4.86 105.19 104.63 1l3k n GLY 147 Ca 0.06 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 1l3k n GLY 147 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1l3k s PHE 148 N -2.00 0.26 0.15 1.61 -0.12 -1.26 -1.85 117.98 114.77 1l3k s PHE 148 Ca 0.00 -0.62 -0.09 0.00 -0.05 0.00 0.00 56.93 56.17 1l3k s PHE 148 Cb 0.00 0.13 -0.01 0.00 -0.63 0.00 0.00 43.02 42.51 1l3k s PHE 148 CO 0.00 -0.85 0.27 0.00 -0.05 0.00 0.00 175.22 174.60 1l3k s ALA 149 N -3.96 -0.06 -0.01 1.99 0.00 0.32 -0.89 121.76 119.15 1l3k s ALA 149 Ca 0.17 -0.82 0.08 0.00 0.00 0.00 0.00 51.96 51.39 1l3k s ALA 149 Cb 0.01 0.80 -0.02 0.00 0.00 0.00 0.00 23.12 23.91 1l3k s ALA 149 CO 0.02 -0.63 -0.25 -0.06 0.00 0.00 0.00 175.76 174.84 1l3k s PHE 150 N -3.95 2.28 -0.09 0.00 0.40 0.16 -0.33 117.98 116.45 1l3k s PHE 150 Ca 0.15 -0.43 0.03 0.00 -0.60 0.00 0.00 56.93 56.08 1l3k s PHE 150 Cb 0.03 -1.45 0.01 0.00 0.51 0.00 0.00 43.02 42.12 1l3k s PHE 150 CO -0.02 -0.02 -0.20 0.08 0.70 0.00 0.00 175.22 175.76 1l3k s VAL 151 N -0.62 1.77 -0.15 -0.44 1.01 -0.20 -0.40 120.40 121.37 1l3k s VAL 151 Ca 0.10 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.21 1l3k s VAL 151 Cb -0.10 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 1l3k s VAL 151 CO -0.01 0.50 -0.06 -0.89 0.00 0.00 0.00 175.10 174.64 1l3k s THR 152 N 0.51 3.67 0.34 3.92 2.01 0.64 -0.56 115.64 126.17 1l3k s THR 152 Ca -0.16 -0.43 0.07 0.00 0.31 0.00 0.00 61.69 61.48 1l3k s THR 152 Cb -0.17 -2.60 -0.02 0.00 0.01 0.00 0.00 72.50 69.71 1l3k s THR 152 CO 0.06 0.49 0.32 -0.36 -0.69 0.00 0.00 174.62 174.44 1l3k s PHE 153 N 0.44 2.93 -1.23 4.92 0.40 0.78 0.03 117.98 126.25 1l3k s PHE 153 Ca -0.05 -0.29 0.29 0.00 -0.60 0.00 0.00 56.93 56.28 1l3k s PHE 153 Cb -0.15 -1.82 1.32 0.00 0.51 0.00 0.00 43.02 42.88 1l3k s PHE 153 CO 0.03 0.16 1.95 -0.40 0.70 0.00 0.00 175.22 177.66 1l3k n ASP 154 N -1.41 0.06 -3.70 1.36 3.85 -0.12 -4.71 116.55 111.88 1l3k n ASP 154 Ca -0.02 0.11 -0.14 0.00 -0.71 0.00 0.00 54.79 54.03 1l3k n ASP 154 Cb 0.60 -0.34 -0.09 0.00 -1.35 0.00 0.00 41.12 39.94 1l3k n ASP 154 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1l3k s ASP 155 N -2.78 -0.43 0.47 -1.12 -1.08 -1.26 -5.04 116.67 105.43 1l3k s ASP 155 Ca 0.21 0.67 0.23 0.00 -0.52 0.00 0.00 52.55 53.14 1l3k s ASP 155 Cb 0.20 0.72 1.14 0.00 -1.46 0.00 0.00 42.92 43.52 1l3k s ASP 155 CO 0.51 -0.30 1.95 1.12 0.52 0.00 0.00 175.17 178.97 1l3k h HIS 156 N 4.67 0.00 0.00 -5.34 2.07 -1.89 -2.92 115.15 111.74 1l3k h HIS 156 Ca -0.28 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.18 1l3k h HIS 156 Cb 1.17 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.14 1l3k h HIS 156 CO 0.43 0.21 -0.30 0.22 -3.07 0.00 0.00 177.93 175.41 1l3k h ASP 157 N 0.00 0.00 -0.27 3.10 3.58 -1.96 -0.26 116.42 120.61 1l3k h ASP 157 Ca -0.00 0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.50 1l3k h ASP 157 Cb 0.51 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.51 1l3k h ASP 157 CO 0.03 0.30 -0.08 0.28 -2.88 0.00 0.00 179.24 176.89 1l3k h SER 158 N 0.00 -0.30 -0.55 2.28 0.02 -1.70 0.24 113.55 113.55 1l3k h SER 158 Ca -0.00 0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 1l3k h SER 158 Cb 0.62 0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 1l3k h SER 158 CO 0.04 -0.11 0.19 0.58 -1.14 0.00 0.00 176.83 176.39 1l3k h VAL 159 N -0.03 1.23 -0.85 2.27 2.07 -1.45 -1.14 116.25 118.35 1l3k h VAL 159 Ca 0.13 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 1l3k h VAL 159 Cb 0.23 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1l3k h VAL 159 CO -0.29 0.28 0.40 0.44 0.02 0.00 0.00 177.57 178.43 1l3k h ASP 160 N 0.75 1.11 -0.60 0.57 3.32 -0.64 0.04 116.42 120.99 1l3k h ASP 160 Ca 0.18 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1l3k h ASP 160 Cb 0.25 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1l3k h ASP 160 CO -0.01 0.94 0.25 0.11 -1.72 0.00 0.00 179.24 178.81 1l3k h LYS 161 N 1.21 0.89 -0.17 3.56 1.57 -0.75 -3.16 116.57 119.72 1l3k h LYS 161 Ca 0.29 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1l3k h LYS 161 Cb 0.12 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1l3k h LYS 161 CO -0.04 0.75 0.06 0.82 -0.57 0.00 0.00 179.45 180.47 1l3k h ILE 162 N 0.83 1.18 0.00 1.86 2.04 -0.49 -3.22 117.51 119.70 1l3k h ILE 162 Ca 0.20 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1l3k h ILE 162 Cb 0.19 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1l3k h ILE 162 CO -0.02 0.17 0.00 1.33 0.00 0.00 0.00 178.15 179.63 1l3k n VAL 163 N -4.83 0.38 0.28 1.67 0.24 -0.06 -1.97 118.33 114.04 1l3k n VAL 163 Ca -0.04 -0.11 0.12 0.00 -2.04 0.00 0.00 64.34 62.26 1l3k n VAL 163 Cb 0.14 -0.60 0.20 0.00 -1.47 0.00 0.00 33.84 32.11 1l3k n VAL 163 CO 0.00 0.00 0.00 0.16 -2.14 0.00 0.00 176.83 174.85 1l3k h ILE 164 N 0.00 0.00 -3.90 1.34 3.07 -1.55 -3.45 117.51 113.02 1l3k h ILE 164 Ca 0.00 -0.93 -0.53 0.00 1.55 0.00 0.00 64.86 64.96 1l3k h ILE 164 Cb 0.60 1.92 0.08 0.00 -0.27 0.00 0.00 36.82 39.15 1l3k h ILE 164 CO 0.00 0.00 0.70 -1.10 -1.05 0.00 0.00 178.15 176.70 1l3k s GLN 165 N -3.20 4.26 0.31 0.16 -1.52 -0.83 -4.92 119.66 113.92 1l3k s GLN 165 Ca 0.07 2.36 0.11 0.00 -1.95 0.00 0.00 55.36 55.96 1l3k s GLN 165 Cb 0.06 -3.03 0.49 0.00 -0.22 0.00 0.00 33.01 30.31 1l3k s GLN 165 CO 0.66 -0.33 1.69 0.87 -0.25 0.00 0.00 175.29 177.93 1l3k h LYS 166 N 3.26 0.00 -4.49 2.91 1.57 -1.88 -3.46 116.57 114.48 1l3k h LYS 166 Ca -0.50 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 57.98 1l3k h LYS 166 Cb 1.23 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.29 1l3k h LYS 166 CO 0.65 0.53 -0.75 0.71 -0.57 0.00 0.00 179.45 180.02 1l3k s TYR 167 N -3.81 0.61 -0.07 -1.35 1.51 -1.26 -5.08 117.35 107.89 1l3k s TYR 167 Ca -0.02 -0.30 -0.01 0.00 -1.01 0.00 0.00 57.07 55.73 1l3k s TYR 167 Cb 0.13 -0.37 0.03 0.00 -0.11 0.00 0.00 41.96 41.63 1l3k s TYR 167 CO 0.75 -0.04 -0.02 -1.01 -1.11 0.00 0.00 175.55 174.12 1l3k s HIS 168 N -0.78 0.75 -0.22 2.71 3.76 -1.26 -5.06 115.29 115.20 1l3k s HIS 168 Ca -0.04 -0.23 -0.02 0.00 -0.15 0.00 0.00 55.06 54.63 1l3k s HIS 168 Cb -0.06 -0.79 0.01 0.00 1.11 0.00 0.00 32.58 32.85 1l3k s HIS 168 CO 0.00 -0.30 -0.09 0.99 -0.85 0.00 0.00 174.74 174.49 1l3k s THR 169 N 1.65 2.85 -0.07 1.30 2.01 -1.26 -0.22 115.64 121.90 1l3k s THR 169 Ca 0.00 -0.82 -0.01 0.00 0.31 0.00 0.00 61.69 61.18 1l3k s THR 169 Cb -0.13 -2.34 0.03 0.00 0.01 0.00 0.00 72.50 70.07 1l3k s THR 169 CO -0.04 0.36 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.55 1l3k s VAL 170 N 1.37 0.42 -1.47 3.82 1.01 -0.38 -4.78 120.40 120.40 1l3k s VAL 170 Ca 0.03 0.08 -0.08 0.00 0.00 0.00 0.00 61.98 62.01 1l3k s VAL 170 Cb -0.15 -0.56 0.03 0.00 0.00 0.00 0.00 36.38 35.70 1l3k s VAL 170 CO -0.06 0.26 0.79 -3.20 0.00 0.00 0.00 175.10 172.89 1l3k n ASN 171 N 5.05 -5.59 0.00 3.32 5.15 -1.26 -0.77 115.26 121.17 1l3k n ASN 171 Ca -0.09 -0.45 0.00 0.00 -0.60 0.00 0.00 54.58 53.45 1l3k n ASN 171 Cb 0.50 -4.48 0.00 0.00 -0.53 0.00 0.00 39.78 35.27 1l3k n ASN 171 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1l3k n GLY 172 N -1.61 0.71 3.84 8.20 0.00 -1.26 -4.99 105.19 110.08 1l3k n GLY 172 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 1l3k n GLY 172 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1l3k s HIS 173 N -3.12 3.72 -0.52 1.61 3.76 0.05 -5.04 115.29 115.76 1l3k s HIS 173 Ca 0.00 0.97 -0.29 0.00 -0.15 0.00 0.00 55.06 55.59 1l3k s HIS 173 Cb 0.00 -2.27 0.03 0.00 1.11 0.00 0.00 32.58 31.45 1l3k s HIS 173 CO 0.00 0.65 1.16 1.21 -0.85 0.00 0.00 174.74 176.91 1l3k s ASN 174 N -1.09 6.56 0.12 1.40 2.47 -1.26 -1.24 114.94 121.89 1l3k s ASN 174 Ca 0.23 0.32 -0.00 0.00 0.42 0.00 0.00 52.86 53.83 1l3k s ASN 174 Cb -0.16 -2.55 -0.04 0.00 -1.45 0.00 0.00 41.25 37.04 1l3k s ASN 174 CO 0.13 -1.35 0.28 0.00 -3.72 0.00 0.00 177.10 172.44 1l3k s GLU 176 N -2.85 3.93 -0.05 0.00 -1.05 -0.22 -4.26 118.70 114.20 1l3k s GLU 176 Ca 0.36 -0.33 0.04 0.00 -0.15 0.00 0.00 54.97 54.89 1l3k s GLU 176 Cb -0.12 -3.63 -0.00 0.00 -0.44 0.00 0.00 34.13 29.93 1l3k s GLU 176 CO 0.28 -0.17 -0.18 0.08 0.95 0.00 0.00 175.26 176.22 1l3k s VAL 177 N 1.73 1.51 0.15 1.83 1.01 -1.26 0.41 120.40 125.79 1l3k s VAL 177 Ca 0.07 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 1l3k s VAL 177 Cb -0.16 -1.31 -0.00 0.00 0.00 0.00 0.00 36.38 34.91 1l3k s VAL 177 CO 0.10 0.43 0.30 0.00 0.00 0.00 0.00 175.10 175.94 1l3k s ARG 178 N 0.15 1.12 0.34 2.72 1.70 -0.66 -4.89 118.95 119.42 1l3k s ARG 178 Ca -0.07 -1.08 -0.29 0.00 -0.47 0.00 0.00 55.73 53.82 1l3k s ARG 178 Cb -0.13 0.39 -0.12 0.00 -0.57 0.00 0.00 34.95 34.53 1l3k s ARG 178 CO 0.03 -0.41 1.50 1.63 -1.08 0.00 0.00 175.30 176.96 1l3k n LYS 179 N -0.20 2.59 -4.26 3.89 5.02 -1.26 -0.57 118.16 123.36 1l3k n LYS 179 Ca -0.09 0.91 -0.34 0.00 -2.02 0.00 0.00 58.31 56.77 1l3k n LYS 179 Cb 0.63 -2.64 -0.12 0.00 -0.02 0.00 0.00 35.03 32.88 1l3k n LYS 179 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1l3k s ALA 180 N -0.70 3.04 0.00 7.82 0.00 0.29 -4.58 121.76 127.64 1l3k s ALA 180 Ca 0.58 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1l3k s ALA 180 Cb -0.50 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 20.96 1l3k s ALA 180 CO 0.58 0.09 0.14 -0.11 0.00 0.00 0.00 175.76 176.46