#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1n s GLU 9 N 0.00 3.92 0.34 1.64 2.02 -1.26 -5.00 118.70 120.36 1u1n s GLU 9 Ca 0.00 0.89 -0.28 0.00 0.02 0.00 0.00 54.97 55.61 1u1n s GLU 9 Cb 0.00 -2.17 -0.13 0.00 0.10 0.00 0.00 34.13 31.94 1u1n s GLU 9 CO 0.00 -0.25 1.18 -2.30 0.02 0.00 0.00 175.26 173.91 1u1n n PRO 10 N -1.57 1.82 -0.30 0.39 -0.02 -1.26 -4.85 135.00 129.21 1u1n n PRO 10 Ca 0.06 0.64 0.13 0.00 -2.02 0.00 0.00 63.50 62.31 1u1n n PRO 10 Cb 0.54 -2.16 0.37 0.00 -0.02 0.00 0.00 33.50 32.22 1u1n n PRO 10 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1u1n h GLU 11 N 2.27 0.69 -0.85 -0.52 4.22 -1.98 -1.93 114.58 116.48 1u1n h GLU 11 Ca -0.44 -0.04 -0.00 0.00 0.08 0.00 0.00 59.36 58.96 1u1n h GLU 11 Cb 1.31 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.36 1u1n h GLU 11 CO 0.61 0.46 0.53 0.37 -2.18 0.00 0.00 179.01 178.80 1u1n h GLN 12 N 0.71 1.15 0.00 1.92 5.75 -1.95 -2.10 115.11 120.58 1u1n h GLN 12 Ca 0.49 -0.09 0.00 0.00 -0.15 0.00 0.00 58.65 58.90 1u1n h GLN 12 Cb 0.81 -0.25 0.00 0.00 1.07 0.00 0.00 27.48 29.11 1u1n h GLN 12 CO -0.25 0.79 0.00 1.28 -2.65 0.00 0.00 178.83 178.00 1u1n n LEU 13 N -4.45 0.06 -1.00 -2.39 4.77 -0.75 -3.03 117.00 110.21 1u1n n LEU 13 Ca 0.09 0.51 0.12 0.00 -0.03 0.00 0.00 56.01 56.70 1u1n n LEU 13 Cb 0.04 -0.49 0.16 0.00 -2.33 0.00 0.00 43.42 40.80 1u1n n LEU 13 CO 0.37 -0.06 0.67 0.54 -1.33 0.00 0.00 177.39 177.58 1u1n n ARG 14 N -1.55 2.35 -4.51 3.23 1.74 -0.81 -4.73 116.66 112.38 1u1n n ARG 14 Ca 0.06 -1.99 -0.32 0.00 -0.77 0.00 0.00 57.85 54.83 1u1n n ARG 14 Cb 0.32 -1.48 -0.11 0.00 -1.02 0.00 0.00 32.46 30.17 1u1n n ARG 14 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1u1n s LYS 15 N -1.84 2.57 -0.05 5.56 2.20 -1.08 -0.96 119.74 126.13 1u1n s LYS 15 Ca 0.32 -0.70 0.06 0.00 -0.36 0.00 0.00 55.97 55.29 1u1n s LYS 15 Cb 0.21 -2.50 -0.01 0.00 -1.51 0.00 0.00 37.83 34.02 1u1n s LYS 15 CO 0.31 0.61 -0.25 -0.51 -0.36 0.00 0.00 175.35 175.15 1u1n s LEU 16 N -1.29 2.06 0.00 5.43 1.43 0.48 -2.28 118.68 124.52 1u1n s LEU 16 Ca 0.16 -0.50 -0.24 0.00 -1.03 0.00 0.00 54.13 52.51 1u1n s LEU 16 Cb -0.11 -1.36 -0.05 0.00 0.03 0.00 0.00 46.19 44.71 1u1n s LEU 16 CO 0.06 0.25 0.75 0.12 0.23 0.00 0.00 176.35 177.76 1u1n s PHE 17 N -0.23 3.68 -0.31 0.29 5.36 0.20 -1.70 117.98 125.27 1u1n s PHE 17 Ca -0.01 1.39 -0.00 0.00 -0.96 0.00 0.00 56.93 57.35 1u1n s PHE 17 Cb -0.13 -2.82 0.07 0.00 -0.34 0.00 0.00 43.02 39.80 1u1n s PHE 17 CO 0.03 0.20 0.02 0.42 -1.46 0.00 0.00 175.22 174.43 1u1n s ILE 18 N 0.28 2.78 0.29 3.12 -1.09 0.33 -0.05 121.20 126.86 1u1n s ILE 18 Ca 0.39 -1.66 0.04 0.00 -2.23 0.00 0.00 60.65 57.19 1u1n s ILE 18 Cb -0.19 -2.71 -0.02 0.00 -1.58 0.00 0.00 42.46 37.95 1u1n s ILE 18 CO 0.21 -0.25 0.43 -0.83 -1.23 0.00 0.00 174.94 173.28 1u1n s GLY 19 N 1.27 1.34 -0.84 6.18 0.00 -0.17 -1.71 107.32 113.39 1u1n s GLY 19 Ca -0.02 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.49 1u1n s GLY 19 CO -0.03 -1.19 0.00 0.61 0.00 0.00 0.00 173.10 172.49 1u1n n GLY 20 N -1.56 0.51 3.78 0.20 0.00 -1.06 0.09 105.19 107.14 1u1n n GLY 20 Ca -0.06 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 1u1n n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1n s LEU 21 N -2.27 4.30 0.63 0.99 1.02 -0.53 -4.60 118.68 118.21 1u1n s LEU 21 Ca 0.00 2.98 -0.18 0.00 0.02 0.00 0.00 54.13 56.95 1u1n s LEU 21 Cb 0.00 -3.70 -0.02 0.00 0.02 0.00 0.00 46.19 42.49 1u1n s LEU 21 CO 0.00 -0.87 1.26 -0.55 0.02 0.00 0.00 176.35 176.21 1u1n s SER 22 N -0.24 4.82 0.56 2.29 0.15 -1.26 -4.68 113.70 115.34 1u1n s SER 22 Ca 0.53 2.53 0.27 0.00 0.70 0.00 0.00 55.95 59.99 1u1n s SER 22 Cb -0.45 -2.61 1.47 0.00 -1.71 0.00 0.00 66.02 62.72 1u1n s SER 22 CO 0.61 -1.85 1.98 2.19 1.20 0.00 0.00 173.24 177.37 1u1n h PHE 23 N 0.67 0.00 -0.02 3.44 -5.15 -1.96 -2.08 116.94 111.84 1u1n h PHE 23 Ca -0.51 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.26 1u1n h PHE 23 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.49 1u1n h PHE 23 CO 0.43 0.00 -0.18 -0.85 -2.00 0.00 0.00 178.31 175.71 1u1n n GLU 24 N -4.10 1.55 -2.00 6.09 0.28 -1.26 -4.71 120.64 116.49 1u1n n GLU 24 Ca 0.09 -1.14 -0.41 0.00 -0.16 0.00 0.00 57.16 55.54 1u1n n GLU 24 Cb 0.60 -1.48 -0.02 0.00 1.43 0.00 0.00 31.44 31.97 1u1n n GLU 24 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1u1n s THR 25 N -2.24 2.56 0.37 3.84 2.01 -0.78 -5.01 115.64 116.39 1u1n s THR 25 Ca 0.27 0.51 0.05 0.00 0.31 0.00 0.00 61.69 62.83 1u1n s THR 25 Cb 0.20 -3.32 -0.07 0.00 0.01 0.00 0.00 72.50 69.32 1u1n s THR 25 CO 0.43 0.10 0.04 0.42 -0.69 0.00 0.00 174.62 174.91 1u1n s THR 26 N -0.50 1.53 0.23 -0.82 -4.23 -1.26 -4.97 115.64 105.61 1u1n s THR 26 Ca 0.55 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.98 1u1n s THR 26 Cb -0.42 -2.84 0.21 0.00 1.34 0.00 0.00 72.50 70.78 1u1n s THR 26 CO 0.49 0.00 1.68 0.44 -0.54 0.00 0.00 174.62 176.69 1u1n h ASP 27 N 1.91 -0.11 -0.06 3.99 3.32 -1.92 0.25 116.42 123.80 1u1n h ASP 27 Ca -0.42 0.14 -0.00 0.00 0.02 0.00 0.00 57.03 56.77 1u1n h ASP 27 Cb 1.25 0.22 -0.00 0.00 0.22 0.00 0.00 39.33 41.02 1u1n h ASP 27 CO 0.74 -0.06 0.04 -0.33 -1.72 0.00 0.00 179.24 177.91 1u1n h GLU 28 N 0.20 0.08 -0.34 3.56 5.08 -1.95 -0.35 114.58 120.86 1u1n h GLU 28 Ca 0.36 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.59 1u1n h GLU 28 Cb 0.59 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1u1n h GLU 28 CO -0.50 0.09 -0.27 0.66 -1.00 0.00 0.00 179.01 177.99 1u1n h SER 29 N 0.05 0.72 -0.31 1.42 4.64 -1.80 -0.32 113.55 117.95 1u1n h SER 29 Ca 0.02 -0.27 -0.02 0.00 -0.47 0.00 0.00 61.79 61.05 1u1n h SER 29 Cb 0.03 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.91 1u1n h SER 29 CO -0.00 0.95 0.11 0.25 -0.87 0.00 0.00 176.83 177.27 1u1n h LEU 30 N 0.60 0.43 -0.21 5.97 5.85 -0.85 -2.42 115.31 124.69 1u1n h LEU 30 Ca 0.08 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1u1n h LEU 30 Cb 0.77 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1u1n h LEU 30 CO 0.06 0.50 0.13 -0.09 -0.34 0.00 0.00 178.44 178.70 1u1n h ARG 31 N 0.34 0.26 -0.43 1.25 2.43 -0.89 -1.93 114.38 115.41 1u1n h ARG 31 Ca 0.10 -0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.38 1u1n h ARG 31 Cb 0.21 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1u1n h ARG 31 CO -0.01 0.17 0.31 1.03 -1.51 0.00 0.00 179.97 179.96 1u1n h SER 32 N 0.26 0.00 0.00 -3.80 0.87 -0.81 -0.51 113.55 109.57 1u1n h SER 32 Ca 0.08 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1u1n h SER 32 Cb -0.02 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1u1n h SER 32 CO -0.03 0.00 -0.06 -0.74 -0.53 0.00 0.00 176.83 175.47 1u1n h HIS 33 N 0.00 0.00 0.00 2.24 -0.00 -0.93 -3.38 115.15 113.07 1u1n h HIS 33 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.57 1u1n h HIS 33 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.23 1u1n h HIS 33 CO 0.00 0.07 0.00 1.19 -0.00 0.00 0.00 177.93 179.19 1u1n n PHE 34 N -4.75 0.73 0.46 5.26 3.72 -0.78 -2.51 117.46 119.60 1u1n n PHE 34 Ca -0.02 0.29 0.07 0.00 -0.05 0.00 0.00 57.45 57.75 1u1n n PHE 34 Cb 0.06 -0.97 0.32 0.00 -0.94 0.00 0.00 39.48 37.94 1u1n n PHE 34 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1u1n n GLU 35 N -2.17 0.02 0.15 -1.08 2.13 -0.21 -2.55 120.64 116.94 1u1n n GLU 35 Ca 0.02 0.29 0.13 0.00 0.66 0.00 0.00 57.16 58.25 1u1n n GLU 35 Cb 0.21 -1.55 0.53 0.00 0.27 0.00 0.00 31.44 30.90 1u1n n GLU 35 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1u1n h GLN 36 N 0.00 0.00 -0.20 5.31 4.20 -1.72 -3.05 115.11 119.65 1u1n h GLN 36 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1u1n h GLN 36 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1u1n h GLN 36 CO 0.00 0.00 0.00 0.91 -0.67 0.00 0.00 178.83 179.07 1u1n n TRP 37 N -2.37 0.41 0.00 2.96 8.01 -1.06 -5.08 117.44 120.31 1u1n n TRP 37 Ca 0.02 -0.66 0.00 0.00 -1.31 0.00 0.00 57.50 55.55 1u1n n TRP 37 Cb 0.24 -0.12 0.00 0.00 -2.01 0.00 0.00 31.31 29.42 1u1n n TRP 37 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1u1n n GLY 38 N -0.24 0.47 3.67 6.99 0.00 -1.15 -4.71 105.19 110.22 1u1n n GLY 38 Ca 0.12 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 1u1n n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u1n s THR 39 N -1.55 4.77 -0.07 2.61 2.01 -1.26 -4.52 115.64 117.63 1u1n s THR 39 Ca 0.00 1.93 -0.20 0.00 0.31 0.00 0.00 61.69 63.74 1u1n s THR 39 Cb 0.00 -4.27 -0.05 0.00 0.01 0.00 0.00 72.50 68.20 1u1n s THR 39 CO 0.00 -0.07 0.55 -0.76 -0.69 0.00 0.00 174.62 173.65 1u1n s LEU 40 N 2.54 4.33 0.00 4.42 1.43 -1.26 -1.07 118.68 129.08 1u1n s LEU 40 Ca 0.44 0.99 0.20 0.00 -1.03 0.00 0.00 54.13 54.72 1u1n s LEU 40 Cb -0.16 -2.82 -0.20 0.00 0.03 0.00 0.00 46.19 43.04 1u1n s LEU 40 CO 0.12 0.03 0.86 0.35 0.23 0.00 0.00 176.35 177.94 1u1n n THR 41 N 3.31 0.00 -3.60 5.49 -2.24 0.12 -4.92 114.28 112.45 1u1n n THR 41 Ca -0.06 -0.05 -0.13 0.00 -2.27 0.00 0.00 64.05 61.54 1u1n n THR 41 Cb 0.51 1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 69.70 1u1n n THR 41 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1u1n s ASP 42 N -2.83 -0.56 -0.30 3.42 2.15 -1.19 -4.99 116.67 112.37 1u1n s ASP 42 Ca 0.08 0.92 -0.10 0.00 0.43 0.00 0.00 52.55 53.88 1u1n s ASP 42 Cb 0.15 0.87 0.13 0.00 -0.30 0.00 0.00 42.92 43.77 1u1n s ASP 42 CO 0.79 -0.31 0.65 0.00 -0.17 0.00 0.00 175.17 176.13 1u1n s VAL 44 N 2.88 0.01 -0.23 0.00 0.11 -0.35 -4.87 120.40 117.95 1u1n s VAL 44 Ca -0.06 -0.07 -0.10 0.00 -2.93 0.00 0.00 61.98 58.82 1u1n s VAL 44 Cb -0.12 -0.80 -0.05 0.00 -1.53 0.00 0.00 36.38 33.89 1u1n s VAL 44 CO -0.19 -0.04 0.13 -0.69 -3.33 0.00 0.00 175.10 170.98 1u1n s VAL 45 N -0.27 5.17 0.16 2.04 1.01 -1.26 -0.87 120.40 126.38 1u1n s VAL 45 Ca -0.04 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 1u1n s VAL 45 Cb -0.03 -3.39 -0.07 0.00 0.00 0.00 0.00 36.38 32.89 1u1n s VAL 45 CO 0.03 0.37 0.99 -0.04 0.00 0.00 0.00 175.10 176.45 1u1n s MET 46 N 0.92 4.72 0.08 2.72 -1.94 -0.19 -4.95 119.30 120.67 1u1n s MET 46 Ca 0.07 1.52 -0.04 0.00 -1.71 0.00 0.00 55.69 55.53 1u1n s MET 46 Cb -0.13 -3.33 -0.02 0.00 2.01 0.00 0.00 34.83 33.36 1u1n s MET 46 CO 0.03 0.27 0.07 -0.98 -0.01 0.00 0.00 175.02 174.41 1u1n s ARG 47 N -0.44 0.75 0.18 2.03 1.70 -1.26 -0.17 118.95 121.74 1u1n s ARG 47 Ca 0.46 -1.14 -0.31 0.00 -0.47 0.00 0.00 55.73 54.26 1u1n s ARG 47 Cb -0.25 0.27 -0.10 0.00 -0.57 0.00 0.00 34.95 34.30 1u1n s ARG 47 CO 0.32 -0.20 1.53 0.34 -1.08 0.00 0.00 175.30 176.21 1u1n s ASP 48 N -2.91 6.62 0.17 -2.89 2.15 0.24 -4.81 116.67 115.24 1u1n s ASP 48 Ca 0.08 2.60 -0.20 0.00 0.43 0.00 0.00 52.55 55.47 1u1n s ASP 48 Cb 0.07 -2.60 0.11 0.00 -0.30 0.00 0.00 42.92 40.19 1u1n s ASP 48 CO -0.09 -0.79 1.62 -0.65 -0.17 0.00 0.00 175.17 175.09 1u1n h PRO 49 N 6.49 -0.15 0.04 4.34 0.11 -1.94 0.55 132.00 141.44 1u1n h PRO 49 Ca -0.43 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 1u1n h PRO 49 Cb 1.21 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1u1n h PRO 49 CO 0.89 -0.10 -0.02 -0.91 -0.21 0.00 0.00 178.00 177.65 1u1n h ASN 50 N -0.15 -0.04 0.40 -2.05 4.21 -1.98 -3.35 115.58 112.61 1u1n h ASN 50 Ca 0.20 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.72 1u1n h ASN 50 Cb 0.47 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.68 1u1n h ASN 50 CO -0.52 0.01 0.00 0.71 -1.29 0.00 0.00 177.43 176.33 1u1n h THR 51 N -0.12 0.00 0.00 2.81 1.35 -1.98 -3.45 112.91 111.51 1u1n h THR 51 Ca -0.01 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 1u1n h THR 51 Cb 0.04 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.53 1u1n h THR 51 CO 0.01 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.57 1u1n n LYS 52 N -2.86 -0.30 -2.14 4.72 4.76 0.19 -4.94 118.16 117.60 1u1n n LYS 52 Ca -0.01 0.08 -0.40 0.00 -2.87 0.00 0.00 58.31 55.10 1u1n n LYS 52 Cb 0.15 -3.98 -0.02 0.00 -1.84 0.00 0.00 35.03 29.34 1u1n n LYS 52 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1u1n s ARG 53 N -0.84 4.29 0.30 1.97 1.81 -1.25 -4.51 118.95 120.72 1u1n s ARG 53 Ca 0.00 2.16 -0.30 0.00 -1.72 0.00 0.00 55.73 55.87 1u1n s ARG 53 Cb 0.00 -3.00 -0.11 0.00 -0.45 0.00 0.00 34.95 31.39 1u1n s ARG 53 CO 0.00 -0.22 1.54 0.45 -0.68 0.00 0.00 175.30 176.39 1u1n s SER 54 N -0.59 6.42 0.00 0.23 0.15 -1.26 0.83 113.70 119.48 1u1n s SER 54 Ca 0.50 2.92 0.27 0.00 0.70 0.00 0.00 55.95 60.35 1u1n s SER 54 Cb -0.38 -2.64 1.36 0.00 -1.71 0.00 0.00 66.02 62.64 1u1n s SER 54 CO 0.51 -0.86 1.91 0.54 1.20 0.00 0.00 173.24 176.53 1u1n n ARG 55 N 1.80 1.32 -0.74 5.44 1.74 0.76 -4.77 116.66 122.21 1u1n n ARG 55 Ca 0.06 -0.48 0.00 0.00 -0.77 0.00 0.00 57.85 56.67 1u1n n ARG 55 Cb 0.38 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 1u1n n ARG 55 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u1n n GLY 56 N 1.05 0.55 3.58 -0.13 0.00 -1.26 -5.03 105.19 103.95 1u1n n GLY 56 Ca 0.20 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 1u1n n GLY 56 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1u1n s PHE 57 N -2.00 -0.23 0.12 1.61 -0.12 -1.26 -1.46 117.98 114.63 1u1n s PHE 57 Ca 0.00 -0.11 -0.06 0.00 -0.05 0.00 0.00 56.93 56.72 1u1n s PHE 57 Cb 0.00 0.51 0.02 0.00 -0.63 0.00 0.00 43.02 42.92 1u1n s PHE 57 CO 0.00 -0.98 0.30 0.41 -0.05 0.00 0.00 175.22 174.89 1u1n n GLY 58 N -0.38 1.48 3.05 1.99 0.00 -0.69 -1.02 105.19 109.63 1u1n n GLY 58 Ca -0.10 -1.07 -0.16 0.00 0.00 0.00 0.00 46.02 44.69 1u1n n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u1n s PHE 59 N -6.10 0.76 -0.05 1.61 0.40 -0.04 -0.52 117.98 114.03 1u1n s PHE 59 Ca 0.06 -0.33 0.02 0.00 -0.60 0.00 0.00 56.93 56.09 1u1n s PHE 59 Cb -0.01 -0.46 0.01 0.00 0.51 0.00 0.00 43.02 43.07 1u1n s PHE 59 CO 0.03 -0.03 -0.11 0.14 0.70 0.00 0.00 175.22 175.96 1u1n s VAL 60 N -0.84 1.01 -0.10 -0.44 -7.23 -0.69 -1.20 120.40 110.91 1u1n s VAL 60 Ca -0.03 -0.44 0.03 0.00 -1.81 0.00 0.00 61.98 59.73 1u1n s VAL 60 Cb -0.07 -0.91 0.01 0.00 0.56 0.00 0.00 36.38 35.96 1u1n s VAL 60 CO 0.00 0.32 -0.19 -0.89 -0.31 0.00 0.00 175.10 174.04 1u1n s THR 61 N 0.47 1.69 0.36 5.32 2.01 0.03 -0.38 115.64 125.13 1u1n s THR 61 Ca -0.10 -0.78 0.06 0.00 0.31 0.00 0.00 61.69 61.18 1u1n s THR 61 Cb -0.13 -1.49 -0.00 0.00 0.01 0.00 0.00 72.50 70.88 1u1n s THR 61 CO 0.02 0.48 0.50 -0.31 -0.69 0.00 0.00 174.62 174.62 1u1n s TYR 62 N 0.64 3.07 0.28 4.92 1.51 -0.14 0.16 117.35 127.78 1u1n s TYR 62 Ca -0.13 -0.23 0.24 0.00 -1.01 0.00 0.00 57.07 55.94 1u1n s TYR 62 Cb -0.16 -2.08 1.11 0.00 -0.11 0.00 0.00 41.96 40.72 1u1n s TYR 62 CO 0.04 -0.11 1.92 0.00 -1.11 0.00 0.00 175.55 176.30 1u1n h ALA 63 N 0.82 1.16 -2.44 3.71 0.00 -1.42 -3.43 119.26 117.65 1u1n h ALA 63 Ca -0.45 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.18 1u1n h ALA 63 Cb 1.26 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.87 1u1n h ALA 63 CO 0.52 0.26 -0.46 0.95 0.00 0.00 0.00 179.25 180.52 1u1n s THR 64 N -3.93 0.16 0.03 0.00 -4.23 -1.26 -4.74 115.64 101.67 1u1n s THR 64 Ca -0.01 -1.34 0.27 0.00 -1.18 0.00 0.00 61.69 59.43 1u1n s THR 64 Cb 0.12 -1.37 0.30 0.00 1.34 0.00 0.00 72.50 72.88 1u1n s THR 64 CO 0.63 -0.74 1.83 -0.37 -0.54 0.00 0.00 174.62 175.43 1u1n h VAL 65 N 2.89 0.29 -0.57 2.29 -1.51 -1.87 -2.67 116.25 115.10 1u1n h VAL 65 Ca -0.34 -0.94 -0.02 0.00 -1.23 0.00 0.00 66.70 64.16 1u1n h VAL 65 Cb 1.18 1.74 -0.03 0.00 -2.13 0.00 0.00 31.29 32.06 1u1n h VAL 65 CO 0.59 0.12 0.26 -0.08 -1.23 0.00 0.00 177.57 177.23 1u1n h GLU 66 N 0.00 0.81 -0.02 5.19 4.81 -1.96 0.75 114.58 124.16 1u1n h GLU 66 Ca -0.00 -0.11 -0.17 0.00 -0.13 0.00 0.00 59.36 58.95 1u1n h GLU 66 Cb 0.73 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1u1n h GLU 66 CO 0.02 0.64 -0.77 0.93 -0.73 0.00 0.00 179.01 179.10 1u1n h GLU 67 N 0.80 0.17 -0.45 1.92 5.08 -1.76 -2.04 114.58 118.30 1u1n h GLU 67 Ca 0.20 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1u1n h GLU 67 Cb 0.11 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1u1n h GLU 67 CO -0.02 0.86 0.15 0.28 -1.00 0.00 0.00 179.01 179.27 1u1n h VAL 68 N 0.11 1.22 -0.69 3.13 2.07 -1.14 -1.70 116.25 119.25 1u1n h VAL 68 Ca -0.03 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 1u1n h VAL 68 Cb 1.35 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 1u1n h VAL 68 CO 0.11 0.26 0.29 0.44 0.02 0.00 0.00 177.57 178.70 1u1n h ASP 69 N 0.58 0.91 -0.60 0.57 3.32 -0.69 -1.29 116.42 119.23 1u1n h ASP 69 Ca 0.15 -0.12 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 1u1n h ASP 69 Cb 0.26 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1u1n h ASP 69 CO -0.01 0.80 0.05 0.00 -1.72 0.00 0.00 179.24 178.36 1u1n h ALA 70 N 1.34 0.80 -0.54 3.45 0.00 -1.14 -0.34 119.26 122.84 1u1n h ALA 70 Ca 0.23 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1u1n h ALA 70 Cb 0.16 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1u1n h ALA 70 CO -0.02 0.60 0.35 0.00 0.00 0.00 0.00 179.25 180.17 1u1n h ALA 71 N 1.00 0.68 0.00 0.00 0.00 -0.77 -2.06 119.26 118.11 1u1n h ALA 71 Ca 0.18 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1u1n h ALA 71 Cb 0.49 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1u1n h ALA 71 CO 0.02 0.13 -0.47 0.52 0.00 0.00 0.00 179.25 179.45 1u1n h MET 72 N 0.73 0.00 0.00 0.00 2.07 -0.96 -2.43 114.93 114.33 1u1n h MET 72 Ca 0.20 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.83 1u1n h MET 72 Cb -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.65 1u1n h MET 72 CO -0.04 0.47 0.00 -0.91 1.07 0.00 0.00 176.91 177.50 1u1n h ASN 73 N 0.00 0.00 -0.26 1.22 2.35 -0.46 -2.99 115.58 115.44 1u1n h ASN 73 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1u1n h ASN 73 Cb 0.90 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.27 1u1n h ASN 73 CO 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.84 1u1n n ALA 74 N -1.83 2.48 -1.44 -0.83 0.00 -0.83 -4.94 120.51 113.12 1u1n n ALA 74 Ca 0.03 -0.63 -0.35 0.00 0.00 0.00 0.00 53.44 52.49 1u1n n ALA 74 Cb 0.30 -1.03 0.10 0.00 0.00 0.00 0.00 19.45 18.82 1u1n n ALA 74 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1u1n s ARG 75 N -1.66 2.10 0.48 0.00 0.52 -1.13 -4.43 118.95 114.83 1u1n s ARG 75 Ca 0.31 1.94 -0.19 0.00 -0.52 0.00 0.00 55.73 57.27 1u1n s ARG 75 Cb 0.17 -1.81 -0.09 0.00 0.52 0.00 0.00 34.95 33.74 1u1n s ARG 75 CO 0.24 -1.91 1.00 -2.14 0.02 0.00 0.00 175.30 172.51 1u1n s PRO 76 N -3.73 3.92 -0.09 3.54 0.02 -1.26 -5.13 135.00 132.27 1u1n s PRO 76 Ca 0.79 1.18 -0.01 0.00 0.02 0.00 0.00 61.00 62.98 1u1n s PRO 76 Cb -0.34 -2.12 -0.03 0.00 0.02 0.00 0.00 34.50 32.03 1u1n s PRO 76 CO 0.45 -0.31 -0.04 -1.01 -0.33 0.00 0.00 177.00 175.76 1u1n s HIS 77 N -2.23 3.03 -0.16 6.54 3.76 -1.26 -5.09 115.29 119.88 1u1n s HIS 77 Ca 0.63 0.03 0.01 0.00 -0.15 0.00 0.00 55.06 55.58 1u1n s HIS 77 Cb -0.12 -1.78 0.02 0.00 1.11 0.00 0.00 32.58 31.81 1u1n s HIS 77 CO 0.22 0.32 -0.17 0.21 -0.85 0.00 0.00 174.74 174.47 1u1n s LYS 78 N -0.65 2.60 -0.15 1.40 2.20 -1.26 -2.23 119.74 121.64 1u1n s LYS 78 Ca 0.10 -0.68 0.01 0.00 -0.36 0.00 0.00 55.97 55.05 1u1n s LYS 78 Cb -0.12 -2.29 0.02 0.00 -1.51 0.00 0.00 37.83 33.93 1u1n s LYS 78 CO 0.02 -0.21 -0.19 0.08 -0.36 0.00 0.00 175.35 174.69 1u1n s VAL 79 N 1.37 1.90 -1.48 4.02 1.01 0.24 -4.70 120.40 122.76 1u1n s VAL 79 Ca 0.04 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.04 1u1n s VAL 79 Cb -0.13 -1.71 0.06 0.00 0.00 0.00 0.00 36.38 34.60 1u1n s VAL 79 CO -0.11 0.52 1.03 0.47 0.00 0.00 0.00 175.10 177.01 1u1n n ASP 80 N 4.42 -5.12 -0.04 3.32 8.00 -1.26 -1.49 116.55 124.38 1u1n n ASP 80 Ca -0.20 -0.72 -0.01 0.00 0.71 0.00 0.00 54.79 54.58 1u1n n ASP 80 Cb 0.51 -4.18 -0.00 0.00 -0.02 0.00 0.00 41.12 37.42 1u1n n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u1n n GLY 81 N -1.77 0.45 3.06 0.44 0.00 -1.26 -4.95 105.19 101.16 1u1n n GLY 81 Ca 0.02 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 1u1n n GLY 81 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1u1n s ARG 82 N -0.62 2.00 -0.14 1.61 6.06 -0.55 -5.09 118.95 122.21 1u1n s ARG 82 Ca 0.00 -0.51 -0.29 0.00 -2.50 0.00 0.00 55.73 52.43 1u1n s ARG 82 Cb 0.00 -1.64 -0.03 0.00 0.06 0.00 0.00 34.95 33.34 1u1n s ARG 82 CO 0.00 0.02 1.50 0.08 -2.50 0.00 0.00 175.30 174.41 1u1n s VAL 83 N 0.71 3.86 0.48 7.11 1.01 -1.26 -0.59 120.40 131.71 1u1n s VAL 83 Ca -0.13 1.02 0.07 0.00 0.00 0.00 0.00 61.98 62.94 1u1n s VAL 83 Cb -0.16 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.51 1u1n s VAL 83 CO 0.03 -0.17 0.44 0.68 0.00 0.00 0.00 175.10 176.08 1u1n s VAL 84 N 4.18 2.28 -0.34 2.92 -7.23 -0.95 -4.88 120.40 116.38 1u1n s VAL 84 Ca 0.66 -1.35 0.03 0.00 -1.81 0.00 0.00 61.98 59.51 1u1n s VAL 84 Cb -0.27 -2.63 0.10 0.00 0.56 0.00 0.00 36.38 34.14 1u1n s VAL 84 CO 0.24 0.00 0.08 -0.70 -0.31 0.00 0.00 175.10 174.41 1u1n s GLU 85 N -4.24 1.28 0.21 4.82 2.12 0.11 -4.53 118.70 118.48 1u1n s GLU 85 Ca 0.45 -1.69 -0.30 0.00 0.36 0.00 0.00 54.97 53.79 1u1n s GLU 85 Cb -0.03 -2.85 -0.08 0.00 0.26 0.00 0.00 34.13 31.43 1u1n s GLU 85 CO 0.27 -0.97 1.10 -2.14 -0.54 0.00 0.00 175.26 172.99 1u1n s PRO 86 N 1.03 4.61 -0.03 4.30 0.02 -1.26 -1.00 135.00 142.66 1u1n s PRO 86 Ca 0.11 1.75 -0.12 0.00 0.02 0.00 0.00 61.00 62.77 1u1n s PRO 86 Cb -0.19 -3.25 0.02 0.00 0.02 0.00 0.00 34.50 31.10 1u1n s PRO 86 CO -0.12 0.12 0.26 0.15 -0.33 0.00 0.00 177.00 177.07 1u1n s LYS 87 N -0.71 0.54 0.23 5.54 1.02 0.92 -4.97 119.74 122.31 1u1n s LYS 87 Ca 0.48 -0.10 -0.32 0.00 0.02 0.00 0.00 55.97 56.05 1u1n s LYS 87 Cb -0.30 0.24 -0.13 0.00 -0.52 0.00 0.00 37.83 37.12 1u1n s LYS 87 CO 0.37 -0.13 1.55 0.54 -0.92 0.00 0.00 175.35 176.76 1u1n n ARG 88 N 1.72 2.35 -2.22 1.68 5.12 -1.26 0.60 116.66 124.65 1u1n n ARG 88 Ca -0.20 0.84 -0.43 0.00 -1.93 0.00 0.00 57.85 56.14 1u1n n ARG 88 Cb 0.56 -2.59 -0.02 0.00 -1.16 0.00 0.00 32.46 29.25 1u1n n ARG 88 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1u1n s ALA 89 N 0.41 3.63 -0.16 7.54 0.00 -0.96 -4.59 121.76 127.63 1u1n s ALA 89 Ca 0.71 0.71 -0.22 0.00 0.00 0.00 0.00 51.96 53.17 1u1n s ALA 89 Cb -0.60 -3.67 -0.03 0.00 0.00 0.00 0.00 23.12 18.83 1u1n s ALA 89 CO 0.43 -1.24 0.65 0.08 0.00 0.00 0.00 175.76 175.69 1u1n s VAL 90 N 3.59 5.02 0.68 0.00 1.01 -1.26 -4.89 120.40 124.55 1u1n s VAL 90 Ca 0.64 1.27 -0.17 0.00 0.00 0.00 0.00 61.98 63.72 1u1n s VAL 90 Cb -0.28 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 1u1n s VAL 90 CO 0.22 0.15 1.03 -1.54 0.00 0.00 0.00 175.10 174.96 1u1n n SER 91 N 4.70 0.84 -0.35 3.32 3.41 -1.26 -4.65 113.62 119.63 1u1n n SER 91 Ca -0.01 0.73 0.14 0.00 -0.26 0.00 0.00 58.87 59.47 1u1n n SER 91 Cb 0.50 -1.43 0.34 0.00 -0.26 0.00 0.00 64.21 63.36 1u1n n SER 91 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1u1n h ARG 92 N 0.05 0.67 0.11 4.33 3.08 -1.98 0.17 114.38 120.81 1u1n h ARG 92 Ca -0.48 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.52 1u1n h ARG 92 Cb 1.34 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1u1n h ARG 92 CO 0.49 0.44 -0.05 1.49 -1.07 0.00 0.00 179.97 181.27 1u1n h GLU 93 N 0.69 -0.14 0.00 0.04 4.81 -2.03 -2.93 114.58 115.02 1u1n h GLU 93 Ca 0.60 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.84 1u1n h GLU 93 Cb 1.02 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1u1n h GLU 93 CO -0.42 0.07 0.00 -0.44 -0.73 0.00 0.00 179.01 177.49 1u1n h ASP 94 N -0.34 0.00 0.78 1.04 3.32 -1.65 -2.92 116.42 116.65 1u1n h ASP 94 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1u1n h ASP 94 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1u1n h ASP 94 CO 0.02 0.00 0.00 0.28 -1.72 0.00 0.00 179.24 177.82 1u1n h SER 95 N 0.00 0.00 1.43 6.45 0.02 -0.51 -2.62 113.55 118.32 1u1n h SER 95 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1u1n h SER 95 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1u1n h SER 95 CO 0.00 0.00 -0.05 0.00 -1.14 0.00 0.00 176.83 175.64 1u1n n GLN 96 N -2.42 0.27 -2.52 3.45 6.02 -1.10 -4.82 117.38 116.25 1u1n n GLN 96 Ca 0.02 0.21 -0.38 0.00 -0.01 0.00 0.00 57.00 56.83 1u1n n GLN 96 Cb 0.24 -1.80 -0.04 0.00 1.02 0.00 0.00 30.24 29.66 1u1n n GLN 96 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1u1n s ARG 97 N -3.11 4.35 0.16 -1.09 1.81 -0.99 -4.97 118.95 115.12 1u1n s ARG 97 Ca 0.10 1.63 -0.32 0.00 -1.72 0.00 0.00 55.73 55.43 1u1n s ARG 97 Cb 0.12 -2.80 -0.11 0.00 -0.45 0.00 0.00 34.95 31.71 1u1n s ARG 97 CO 0.61 0.00 1.71 -2.14 -0.68 0.00 0.00 175.30 174.80 1u1n s PRO 98 N -2.07 4.15 0.00 3.54 0.02 -1.26 -2.40 135.00 136.98 1u1n s PRO 98 Ca 0.52 2.53 0.00 0.00 0.02 0.00 0.00 61.00 64.07 1u1n s PRO 98 Cb -0.26 -3.28 0.00 0.00 0.02 0.00 0.00 34.50 30.98 1u1n s PRO 98 CO 0.33 -0.74 0.00 0.41 -0.33 0.00 0.00 177.00 176.66 1u1n n GLY 99 N 4.00 0.37 0.33 0.52 0.00 -1.26 -4.90 105.19 104.25 1u1n n GLY 99 Ca 0.16 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.34 1u1n n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1n h ALA 100 N 0.00 1.78 -0.55 4.61 0.00 -1.77 -1.97 119.26 121.37 1u1n h ALA 100 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1u1n h ALA 100 Cb 0.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1u1n h ALA 100 CO 0.00 -0.24 0.00 0.72 0.00 0.00 0.00 179.25 179.73 1u1n n HIS 101 N -3.84 0.81 -2.29 0.00 8.25 -1.26 -5.00 115.22 111.89 1u1n n HIS 101 Ca 0.01 -0.52 -0.37 0.00 -0.26 0.00 0.00 57.72 56.58 1u1n n HIS 101 Cb 0.28 -0.04 -0.01 0.00 1.12 0.00 0.00 29.99 31.34 1u1n n HIS 101 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1u1n s LEU 102 N -1.14 3.97 -0.77 2.41 1.43 -0.74 -4.97 118.68 118.88 1u1n s LEU 102 Ca 0.38 2.25 -0.18 0.00 -1.03 0.00 0.00 54.13 55.56 1u1n s LEU 102 Cb 0.21 -4.30 0.14 0.00 0.03 0.00 0.00 46.19 42.27 1u1n s LEU 102 CO 0.24 -0.93 0.89 -0.89 0.23 0.00 0.00 176.35 175.89 1u1n s THR 103 N -1.60 4.94 0.23 5.49 2.01 -1.26 -5.02 115.64 120.43 1u1n s THR 103 Ca 0.65 -1.51 0.11 0.00 0.31 0.00 0.00 61.69 61.24 1u1n s THR 103 Cb -0.27 -4.60 -0.05 0.00 0.01 0.00 0.00 72.50 67.59 1u1n s THR 103 CO 0.32 -1.26 -0.20 0.68 -0.69 0.00 0.00 174.62 173.47 1u1n s VAL 104 N 2.18 2.24 -1.04 3.82 -7.23 -1.26 -5.04 120.40 114.07 1u1n s VAL 104 Ca 0.21 -2.20 0.13 0.00 -1.81 0.00 0.00 61.98 58.31 1u1n s VAL 104 Cb -0.14 -2.14 -0.03 0.00 0.56 0.00 0.00 36.38 34.63 1u1n s VAL 104 CO -0.03 -0.33 0.69 0.29 -0.31 0.00 0.00 175.10 175.41 1u1n n LYS 105 N -0.19 2.13 -4.77 4.82 5.02 -1.26 -4.46 118.16 119.45 1u1n n LYS 105 Ca -0.09 -0.55 -0.31 0.00 -2.02 0.00 0.00 58.31 55.35 1u1n n LYS 105 Cb 0.58 -1.15 -0.13 0.00 -0.02 0.00 0.00 35.03 34.31 1u1n n LYS 105 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1u1n s LYS 106 N -1.72 2.04 0.08 1.97 2.20 -1.26 -0.50 119.74 122.55 1u1n s LYS 106 Ca 0.09 -0.99 0.09 0.00 -0.36 0.00 0.00 55.97 54.81 1u1n s LYS 106 Cb 0.10 -2.15 -0.03 0.00 -1.51 0.00 0.00 37.83 34.24 1u1n s LYS 106 CO 0.36 0.54 -0.23 0.96 -0.36 0.00 0.00 175.35 176.62 1u1n s ILE 107 N -0.87 1.91 -0.04 5.43 -4.36 -0.64 -1.42 121.20 121.21 1u1n s ILE 107 Ca 0.13 -1.48 -0.16 0.00 -0.26 0.00 0.00 60.65 58.89 1u1n s ILE 107 Cb -0.10 -1.69 -0.05 0.00 1.25 0.00 0.00 42.46 41.87 1u1n s ILE 107 CO 0.04 0.12 0.42 0.12 0.24 0.00 0.00 174.94 175.88 1u1n s PHE 108 N -0.98 3.66 -0.26 1.37 5.36 0.15 -2.34 117.98 124.94 1u1n s PHE 108 Ca 0.10 0.94 0.02 0.00 -0.96 0.00 0.00 56.93 57.02 1u1n s PHE 108 Cb -0.10 -2.36 0.07 0.00 -0.34 0.00 0.00 43.02 40.29 1u1n s PHE 108 CO 0.04 0.49 -0.05 0.08 -1.46 0.00 0.00 175.22 174.32 1u1n s VAL 109 N -0.53 1.75 0.02 3.12 1.01 0.15 -1.58 120.40 124.34 1u1n s VAL 109 Ca 0.24 -1.48 0.03 0.00 0.00 0.00 0.00 61.98 60.77 1u1n s VAL 109 Cb -0.16 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 1u1n s VAL 109 CO 0.12 -0.17 -0.04 -0.83 0.00 0.00 0.00 175.10 174.18 1u1n s GLY 110 N 1.27 1.82 0.00 4.51 0.00 0.57 -0.79 107.32 114.70 1u1n s GLY 110 Ca -0.04 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 43.66 1u1n s GLY 110 CO -0.07 -0.91 0.00 0.61 0.00 0.00 0.00 173.10 172.73 1u1n n GLY 111 N 1.33 0.95 3.89 0.20 0.00 -0.23 -0.90 105.19 110.43 1u1n n GLY 111 Ca -0.14 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 1u1n n GLY 111 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1u1n s ILE 112 N -2.55 5.42 0.73 -0.61 -4.36 -1.05 -4.65 121.20 114.14 1u1n s ILE 112 Ca 0.00 0.03 -0.16 0.00 -0.26 0.00 0.00 60.65 60.26 1u1n s ILE 112 Cb 0.00 -3.51 0.03 0.00 1.25 0.00 0.00 42.46 40.22 1u1n s ILE 112 CO 0.00 0.42 1.11 0.29 0.24 0.00 0.00 174.94 177.00 1u1n n LYS 113 N 1.27 0.54 0.27 0.37 5.02 -1.26 -4.49 118.16 119.89 1u1n n LYS 113 Ca -0.13 0.25 0.13 0.00 -2.02 0.00 0.00 58.31 56.53 1u1n n LYS 113 Cb 0.53 -2.36 0.78 0.00 -0.02 0.00 0.00 35.03 33.97 1u1n n LYS 113 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1u1n h GLU 114 N -0.28 0.00 -0.58 1.97 5.08 -1.97 -1.48 114.58 117.32 1u1n h GLU 114 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1u1n h GLU 114 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1u1n h GLU 114 CO 0.48 0.07 0.00 -0.40 -1.00 0.00 0.00 179.01 178.16 1u1n n ASP 115 N -3.82 3.15 -4.75 1.42 5.75 -1.26 -4.92 116.55 112.11 1u1n n ASP 115 Ca -0.02 -2.23 -0.41 0.00 -0.01 0.00 0.00 54.79 52.11 1u1n n ASP 115 Cb 0.17 -0.44 -0.02 0.00 -1.03 0.00 0.00 41.12 39.80 1u1n n ASP 115 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1u1n s THR 116 N -1.66 2.76 0.31 2.12 2.01 -0.56 -5.02 115.64 115.59 1u1n s THR 116 Ca 0.33 0.65 0.09 0.00 0.31 0.00 0.00 61.69 63.07 1u1n s THR 116 Cb 0.21 -3.41 -0.06 0.00 0.01 0.00 0.00 72.50 69.24 1u1n s THR 116 CO 0.17 0.11 -0.10 -1.61 -0.69 0.00 0.00 174.62 172.50 1u1n s GLU 117 N -0.48 1.69 0.27 4.92 2.02 -1.26 -5.04 118.70 120.81 1u1n s GLU 117 Ca 0.58 -1.85 -0.00 0.00 0.02 0.00 0.00 54.97 53.71 1u1n s GLU 117 Cb -0.41 -1.51 0.53 0.00 0.10 0.00 0.00 34.13 32.84 1u1n s GLU 117 CO 0.43 0.14 1.80 0.93 0.02 0.00 0.00 175.26 178.58 1u1n h GLU 118 N 2.16 0.77 -0.09 1.61 5.08 -1.99 -0.11 114.58 122.01 1u1n h GLU 118 Ca -0.41 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 57.93 1u1n h GLU 118 Cb 1.24 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 1u1n h GLU 118 CO 0.68 0.51 0.08 1.12 -1.00 0.00 0.00 179.01 180.40 1u1n h HIS 119 N 0.79 0.00 -0.25 4.33 2.07 -1.99 -0.52 115.15 119.58 1u1n h HIS 119 Ca 0.47 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.95 1u1n h HIS 119 Cb 0.56 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.53 1u1n h HIS 119 CO -0.05 0.00 0.00 0.45 -3.07 0.00 0.00 177.93 175.26 1u1n h HIS 120 N 0.00 0.48 -0.50 6.12 3.86 -1.42 -1.56 115.15 122.14 1u1n h HIS 120 Ca 0.04 -0.08 -0.09 0.00 -1.16 0.00 0.00 60.37 59.08 1u1n h HIS 120 Cb 0.20 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 1u1n h HIS 120 CO 0.00 0.60 -0.04 -0.07 0.86 0.00 0.00 177.93 179.29 1u1n h LEU 121 N 0.22 0.84 -0.12 2.43 3.38 -1.10 -3.14 115.31 117.82 1u1n h LEU 121 Ca 0.07 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1u1n h LEU 121 Cb 0.41 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1u1n h LEU 121 CO 0.01 0.92 -0.03 0.03 0.09 0.00 0.00 178.44 179.47 1u1n h ARG 122 N 0.79 0.22 -0.08 1.13 3.08 -1.12 -0.46 114.38 117.95 1u1n h ARG 122 Ca 0.14 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 60.13 1u1n h ARG 122 Cb 0.52 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 1u1n h ARG 122 CO 0.03 0.52 0.30 -0.44 -1.07 0.00 0.00 179.97 179.30 1u1n h ASP 123 N -0.09 0.00 0.00 7.04 3.32 -1.24 -0.52 116.42 124.93 1u1n h ASP 123 Ca 0.03 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.65 1u1n h ASP 123 Cb 0.43 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.92 1u1n h ASP 123 CO 0.01 0.00 -2.47 0.00 -1.72 0.00 0.00 179.24 175.06 1u1n n TYR 124 N -3.12 0.00 0.06 4.55 9.36 -1.13 -4.75 117.16 122.13 1u1n n TYR 124 Ca -0.00 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.15 1u1n n TYR 124 Cb 0.37 -0.95 -0.12 0.00 -0.63 0.00 0.00 39.34 38.01 1u1n n TYR 124 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1u1n h PHE 125 N -0.72 0.01 -0.69 2.98 0.04 -0.82 -3.34 116.94 114.40 1u1n h PHE 125 Ca -0.65 -0.00 0.20 0.00 2.80 0.00 0.00 57.97 60.32 1u1n h PHE 125 Cb 1.66 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.78 1u1n h PHE 125 CO -0.06 1.00 0.49 0.93 -0.60 0.00 0.00 178.31 180.08 1u1n h GLU 126 N 0.00 0.01 0.00 1.51 5.08 -1.29 0.16 114.58 120.04 1u1n h GLU 126 Ca -0.01 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1u1n h GLU 126 Cb 1.77 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.02 1u1n h GLU 126 CO 0.13 0.00 0.00 -0.56 -1.00 0.00 0.00 179.01 177.59 1u1n h GLN 127 N 0.01 0.00 0.00 2.33 3.07 -1.79 -2.27 115.11 116.46 1u1n h GLN 127 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.07 1u1n h GLN 127 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.86 1u1n h GLN 127 CO -0.01 0.00 -0.81 0.66 0.09 0.00 0.00 178.83 178.77 1u1n n TYR 128 N -3.07 0.45 0.00 0.06 4.02 0.55 -5.05 117.16 114.12 1u1n n TYR 128 Ca -0.02 0.13 0.00 0.00 -0.01 0.00 0.00 57.90 58.00 1u1n n TYR 128 Cb 0.14 -0.58 0.00 0.00 -0.02 0.00 0.00 39.34 38.88 1u1n n TYR 128 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1u1n n GLY 129 N 1.35 -0.19 3.69 2.72 0.00 -0.85 -4.51 105.19 107.39 1u1n n GLY 129 Ca 0.03 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 1u1n n GLY 129 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1u1n s LYS 130 N -1.99 4.26 -0.06 1.61 2.47 -1.26 -4.52 119.74 120.25 1u1n s LYS 130 Ca 0.00 2.08 -0.16 0.00 -1.56 0.00 0.00 55.97 56.33 1u1n s LYS 130 Cb 0.00 -3.56 -0.05 0.00 -1.46 0.00 0.00 37.83 32.76 1u1n s LYS 130 CO 0.00 -0.62 0.44 0.42 0.16 0.00 0.00 175.35 175.75 1u1n s ILE 131 N 2.40 5.10 -0.17 5.43 1.01 -1.26 -1.98 121.20 131.72 1u1n s ILE 131 Ca 0.67 0.89 0.02 0.00 0.00 0.00 0.00 60.65 62.24 1u1n s ILE 131 Cb -0.34 -3.76 -0.12 0.00 0.01 0.00 0.00 42.46 38.24 1u1n s ILE 131 CO 0.28 0.45 -0.14 -0.62 0.00 0.00 0.00 174.94 174.92 1u1n n GLU 132 N 2.74 0.57 -3.83 2.79 -0.58 0.20 -4.91 120.64 117.61 1u1n n GLU 132 Ca -0.11 0.09 -0.12 0.00 -0.42 0.00 0.00 57.16 56.60 1u1n n GLU 132 Cb 0.52 -1.36 -0.12 0.00 -0.57 0.00 0.00 31.44 29.91 1u1n n GLU 132 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1u1n s VAL 133 N -2.35 0.01 -0.07 2.62 1.01 -0.99 -4.98 120.40 115.65 1u1n s VAL 133 Ca -0.22 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1u1n s VAL 133 Cb 0.06 -0.25 0.02 0.00 0.00 0.00 0.00 36.38 36.21 1u1n s VAL 133 CO 0.43 -0.06 -0.05 -0.63 0.00 0.00 0.00 175.10 174.78 1u1n s ILE 134 N -0.14 0.70 -0.18 2.22 1.01 -1.26 0.17 121.20 123.73 1u1n s ILE 134 Ca -0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 60.65 60.45 1u1n s ILE 134 Cb -0.02 -0.74 0.05 0.00 0.01 0.00 0.00 42.46 41.76 1u1n s ILE 134 CO 0.00 0.28 -0.00 -1.61 0.00 0.00 0.00 174.94 173.62 1u1n s GLU 135 N 1.27 0.97 -0.31 2.79 2.02 0.16 -4.99 118.70 120.61 1u1n s GLU 135 Ca -0.05 -0.47 -0.19 0.00 0.02 0.00 0.00 54.97 54.28 1u1n s GLU 135 Cb -0.14 -2.03 -0.01 0.00 0.10 0.00 0.00 34.13 32.05 1u1n s GLU 135 CO -0.02 -0.55 0.58 0.42 0.02 0.00 0.00 175.26 175.71 1u1n s ILE 136 N 1.75 4.97 0.23 -1.63 1.01 -1.26 -0.57 121.20 125.70 1u1n s ILE 136 Ca -0.01 0.73 -0.30 0.00 0.00 0.00 0.00 60.65 61.08 1u1n s ILE 136 Cb -0.16 -3.97 -0.09 0.00 0.01 0.00 0.00 42.46 38.25 1u1n s ILE 136 CO -0.07 -0.13 1.04 -0.04 0.00 0.00 0.00 174.94 175.74 1u1n s MET 137 N 2.52 4.70 0.20 2.79 -1.94 -0.75 -5.01 119.30 121.81 1u1n s MET 137 Ca 0.23 1.65 0.06 0.00 -1.71 0.00 0.00 55.69 55.92 1u1n s MET 137 Cb -0.15 -3.26 -0.05 0.00 2.01 0.00 0.00 34.83 33.38 1u1n s MET 137 CO 0.12 0.27 -0.09 0.95 -0.01 0.00 0.00 175.02 176.26 1u1n s THR 138 N -0.83 1.38 0.29 2.05 -4.23 -1.26 -1.60 115.64 111.43 1u1n s THR 138 Ca 0.45 -2.11 -0.29 0.00 -1.18 0.00 0.00 61.69 58.56 1u1n s THR 138 Cb -0.29 -2.09 -0.09 0.00 1.34 0.00 0.00 72.50 71.37 1u1n s THR 138 CO 0.36 -0.56 1.07 -0.62 -0.54 0.00 0.00 174.62 174.33 1u1n s ASP 139 N -3.28 7.27 0.04 3.99 -1.08 0.25 -4.85 116.67 119.00 1u1n s ASP 139 Ca 0.23 2.21 -0.30 0.00 -0.52 0.00 0.00 52.55 54.16 1u1n s ASP 139 Cb 0.02 -2.62 -0.05 0.00 -1.46 0.00 0.00 42.92 38.81 1u1n s ASP 139 CO 0.06 -0.14 1.21 -0.13 0.52 0.00 0.00 175.17 176.69 1u1n s ARG 140 N -1.51 4.41 0.00 4.34 0.52 -1.26 -0.81 118.95 124.63 1u1n s ARG 140 Ca 0.45 1.76 0.00 0.00 -0.52 0.00 0.00 55.73 57.42 1u1n s ARG 140 Cb -0.30 -3.40 0.00 0.00 0.52 0.00 0.00 34.95 31.77 1u1n s ARG 140 CO 0.39 -0.31 0.00 0.41 0.02 0.00 0.00 175.30 175.81 1u1n n GLY 141 N 3.27 1.52 0.13 -3.53 0.00 -1.26 -4.65 105.19 100.67 1u1n n GLY 141 Ca 0.10 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 1u1n n GLY 141 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1u1n h SER 142 N 0.00 0.51 0.00 1.61 0.87 -1.97 -3.48 113.55 111.09 1u1n h SER 142 Ca 0.00 -0.79 0.00 0.00 -1.23 0.00 0.00 61.79 59.77 1u1n h SER 142 Cb 0.00 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 1u1n h SER 142 CO 0.00 1.67 0.00 0.61 -0.53 0.00 0.00 176.83 178.58 1u1n n GLY 143 N 1.81 1.88 3.76 5.77 0.00 0.01 -4.96 105.19 113.45 1u1n n GLY 143 Ca -0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 1u1n n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u1n s LYS 144 N -0.16 4.23 0.32 1.61 -0.14 -1.26 -4.52 119.74 119.81 1u1n s LYS 144 Ca 0.00 2.39 -0.29 0.00 -1.36 0.00 0.00 55.97 56.71 1u1n s LYS 144 Cb 0.00 -3.05 -0.10 0.00 -1.68 0.00 0.00 37.83 33.00 1u1n s LYS 144 CO 0.00 -0.42 1.31 0.15 -0.76 0.00 0.00 175.35 175.63 1u1n s LYS 145 N -1.19 4.36 0.00 1.68 3.01 -1.26 0.85 119.74 127.19 1u1n s LYS 145 Ca 0.56 2.20 0.22 0.00 -1.01 0.00 0.00 55.97 57.94 1u1n s LYS 145 Cb -0.43 -3.08 -0.01 0.00 -1.01 0.00 0.00 37.83 33.29 1u1n s LYS 145 CO 0.51 -0.20 1.07 0.54 0.51 0.00 0.00 175.35 177.79 1u1n n ARG 146 N 1.03 0.84 -0.61 1.68 1.74 -0.63 -4.81 116.66 115.90 1u1n n ARG 146 Ca 0.01 -0.68 0.00 0.00 -0.77 0.00 0.00 57.85 56.41 1u1n n ARG 146 Cb 0.42 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 1u1n n ARG 146 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u1n n GLY 147 N 1.44 0.65 3.48 -0.13 0.00 -1.26 -4.99 105.19 104.38 1u1n n GLY 147 Ca 0.08 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 1u1n n GLY 147 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1u1n s PHE 148 N -2.00 -0.21 0.24 1.61 -0.12 -1.26 -1.06 117.98 115.17 1u1n s PHE 148 Ca 0.00 -0.11 -0.10 0.00 -0.05 0.00 0.00 56.93 56.67 1u1n s PHE 148 Cb 0.00 0.41 -0.01 0.00 -0.63 0.00 0.00 43.02 42.79 1u1n s PHE 148 CO 0.00 -0.88 0.41 0.00 -0.05 0.00 0.00 175.22 174.69 1u1n s ALA 149 N -3.84 0.06 -0.06 1.99 0.00 0.03 -1.82 121.76 118.12 1u1n s ALA 149 Ca 0.07 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 51.01 1u1n s ALA 149 Cb -0.01 1.14 -0.00 0.00 0.00 0.00 0.00 23.12 24.25 1u1n s ALA 149 CO -0.06 -0.80 -0.19 -0.06 0.00 0.00 0.00 175.76 174.65 1u1n s PHE 150 N -4.04 1.99 -0.08 0.00 0.08 0.27 -0.67 117.98 115.52 1u1n s PHE 150 Ca 0.26 -0.68 0.03 0.00 0.12 0.00 0.00 56.93 56.66 1u1n s PHE 150 Cb 0.01 -1.35 0.01 0.00 -0.57 0.00 0.00 43.02 41.12 1u1n s PHE 150 CO 0.10 -0.26 -0.17 0.08 -0.10 0.00 0.00 175.22 174.87 1u1n s VAL 151 N 0.21 1.53 -0.14 -0.44 1.01 -0.99 -0.66 120.40 120.92 1u1n s VAL 151 Ca -0.10 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 1u1n s VAL 151 Cb -0.14 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.85 1u1n s VAL 151 CO 0.04 0.44 -0.08 -0.89 0.00 0.00 0.00 175.10 174.62 1u1n s THR 152 N 0.55 3.56 0.39 3.92 2.01 0.13 -1.63 115.64 124.57 1u1n s THR 152 Ca -0.16 -0.48 0.08 0.00 0.31 0.00 0.00 61.69 61.43 1u1n s THR 152 Cb -0.17 -2.53 -0.02 0.00 0.01 0.00 0.00 72.50 69.79 1u1n s THR 152 CO 0.06 0.51 0.34 -0.36 -0.69 0.00 0.00 174.62 174.48 1u1n s PHE 153 N 0.25 2.75 -2.67 4.92 0.40 0.34 0.58 117.98 124.56 1u1n s PHE 153 Ca -0.05 -0.44 0.24 0.00 -0.60 0.00 0.00 56.93 56.08 1u1n s PHE 153 Cb -0.15 -2.05 0.52 0.00 0.51 0.00 0.00 43.02 41.86 1u1n s PHE 153 CO 0.04 -0.01 1.44 -0.40 0.70 0.00 0.00 175.22 176.99 1u1n n ASP 154 N -1.47 2.58 -3.79 1.36 5.75 -0.84 -4.74 116.55 115.39 1u1n n ASP 154 Ca 0.02 -1.84 -0.15 0.00 -0.01 0.00 0.00 54.79 52.80 1u1n n ASP 154 Cb 0.61 -0.07 -0.16 0.00 -1.03 0.00 0.00 41.12 40.47 1u1n n ASP 154 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1u1n s ASP 155 N -1.82 0.16 0.50 -1.12 -1.08 -1.26 -5.03 116.67 107.02 1u1n s ASP 155 Ca 0.33 0.02 0.22 0.00 -0.52 0.00 0.00 52.55 52.60 1u1n s ASP 155 Cb 0.21 -0.11 1.32 0.00 -1.46 0.00 0.00 42.92 42.87 1u1n s ASP 155 CO 0.31 -0.11 2.08 1.12 0.52 0.00 0.00 175.17 179.08 1u1n h HIS 156 N 7.22 0.00 0.00 -5.34 2.07 -1.89 -1.95 115.15 115.26 1u1n h HIS 156 Ca -0.44 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.04 1u1n h HIS 156 Cb 1.13 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.10 1u1n h HIS 156 CO 0.50 0.12 -0.20 0.22 -3.07 0.00 0.00 177.93 175.50 1u1n h ASP 157 N 0.00 0.00 -0.72 3.10 3.58 -1.96 -2.11 116.42 118.31 1u1n h ASP 157 Ca -0.00 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 1u1n h ASP 157 Cb 0.25 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.27 1u1n h ASP 157 CO 0.02 0.20 0.22 0.28 -2.88 0.00 0.00 179.24 177.08 1u1n h SER 158 N 0.00 1.05 0.04 2.28 0.02 -1.58 -0.55 113.55 114.80 1u1n h SER 158 Ca -0.00 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1u1n h SER 158 Cb 0.50 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1u1n h SER 158 CO 0.03 0.98 -0.02 0.58 -1.14 0.00 0.00 176.83 177.26 1u1n h VAL 159 N 1.06 1.20 -0.91 2.27 2.07 -1.50 -2.88 116.25 117.57 1u1n h VAL 159 Ca 0.23 -0.77 0.03 0.00 0.82 0.00 0.00 66.70 67.01 1u1n h VAL 159 Cb 0.31 1.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.74 1u1n h VAL 159 CO -0.01 0.20 0.59 0.44 0.02 0.00 0.00 177.57 178.81 1u1n h ASP 160 N -0.39 0.98 -0.47 0.57 3.32 -1.31 -0.38 116.42 118.74 1u1n h ASP 160 Ca -0.01 -0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.10 1u1n h ASP 160 Cb 0.36 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 1u1n h ASP 160 CO 0.01 0.67 0.31 0.11 -1.72 0.00 0.00 179.24 178.63 1u1n h LYS 161 N 1.14 0.37 0.04 3.56 1.57 -1.09 -2.66 116.57 119.51 1u1n h LYS 161 Ca 0.36 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1u1n h LYS 161 Cb 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1u1n h LYS 161 CO -0.12 0.25 -0.02 0.82 -0.57 0.00 0.00 179.45 179.81 1u1n h ILE 162 N 0.38 0.87 0.00 1.86 2.04 -0.92 -3.36 117.51 118.38 1u1n h ILE 162 Ca 0.20 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.53 1u1n h ILE 162 Cb 0.32 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1u1n h ILE 162 CO -0.05 0.28 0.00 -0.37 0.00 0.00 0.00 178.15 178.01 1u1n h VAL 163 N -0.97 0.00 0.00 1.67 -1.51 -1.06 -0.97 116.25 113.41 1u1n h VAL 163 Ca -0.01 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 1u1n h VAL 163 Cb 0.50 0.80 0.00 0.00 -2.13 0.00 0.00 31.29 30.46 1u1n h VAL 163 CO 0.01 0.00 -0.26 2.30 -1.23 0.00 0.00 177.57 178.39 1u1n n ILE 164 N -2.59 0.31 -2.95 7.19 -5.35 -1.01 -4.82 119.36 110.14 1u1n n ILE 164 Ca -0.01 -0.18 -0.30 0.00 -0.27 0.00 0.00 62.75 61.99 1u1n n ILE 164 Cb 0.09 -0.31 -0.03 0.00 -1.74 0.00 0.00 39.64 37.66 1u1n n ILE 164 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1u1n s GLN 165 N -3.09 3.72 -0.11 6.28 -1.52 -0.37 -5.04 119.66 119.54 1u1n s GLN 165 Ca 0.10 0.33 -0.13 0.00 -1.95 0.00 0.00 55.36 53.71 1u1n s GLN 165 Cb 0.15 -2.45 -0.27 0.00 -0.22 0.00 0.00 33.01 30.22 1u1n s GLN 165 CO 0.64 0.01 0.48 -0.22 -0.25 0.00 0.00 175.29 175.95 1u1n h LYS 166 N 1.26 0.25 -6.55 2.91 3.64 -1.87 -3.48 116.57 112.72 1u1n h LYS 166 Ca -0.47 -0.42 -0.68 0.00 -1.27 0.00 0.00 60.65 57.81 1u1n h LYS 166 Cb 1.19 0.16 -0.18 0.00 -0.41 0.00 0.00 32.23 32.98 1u1n h LYS 166 CO 0.64 1.20 -0.77 0.71 -2.27 0.00 0.00 179.45 178.97 1u1n s TYR 167 N -2.50 2.67 -0.08 1.91 2.02 -1.26 -4.93 117.35 115.18 1u1n s TYR 167 Ca -0.21 -0.19 -0.03 0.00 -0.37 0.00 0.00 57.07 56.27 1u1n s TYR 167 Cb 0.05 -1.45 0.04 0.00 -0.40 0.00 0.00 41.96 40.21 1u1n s TYR 167 CO 0.76 0.36 0.13 -1.01 -1.57 0.00 0.00 175.55 174.22 1u1n s HIS 168 N -1.08 -0.11 -0.33 2.71 3.76 -1.26 -5.05 115.29 113.94 1u1n s HIS 168 Ca 0.18 0.48 -0.12 0.00 -0.15 0.00 0.00 55.06 55.45 1u1n s HIS 168 Cb -0.11 -0.33 -0.02 0.00 1.11 0.00 0.00 32.58 33.23 1u1n s HIS 168 CO 0.09 -0.27 0.23 0.99 -0.85 0.00 0.00 174.74 174.94 1u1n s THR 169 N 2.26 5.23 -0.07 1.30 2.01 -1.26 -0.92 115.64 124.19 1u1n s THR 169 Ca 0.04 -0.18 0.02 0.00 0.31 0.00 0.00 61.69 61.88 1u1n s THR 169 Cb -0.12 -3.66 0.01 0.00 0.01 0.00 0.00 72.50 68.75 1u1n s THR 169 CO -0.05 0.03 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.10 1u1n s VAL 170 N 1.72 1.14 -1.42 3.82 1.01 -0.07 -4.76 120.40 121.83 1u1n s VAL 170 Ca 0.06 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 1u1n s VAL 170 Cb -0.17 -1.05 0.04 0.00 0.00 0.00 0.00 36.38 35.20 1u1n s VAL 170 CO 0.10 0.36 0.92 -3.20 0.00 0.00 0.00 175.10 173.28 1u1n n ASN 171 N 3.89 -3.66 0.00 3.32 5.15 -1.26 -2.16 115.26 120.54 1u1n n ASN 171 Ca -0.22 -0.75 0.00 0.00 -0.60 0.00 0.00 54.58 53.01 1u1n n ASN 171 Cb 0.52 -4.17 0.00 0.00 -0.53 0.00 0.00 39.78 35.59 1u1n n ASN 171 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1u1n n GLY 172 N -1.67 2.76 3.17 8.20 0.00 -1.26 -4.94 105.19 111.45 1u1n n GLY 172 Ca -0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 1u1n n GLY 172 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u1n s HIS 173 N -2.48 0.89 0.48 1.61 3.76 -0.92 -5.07 115.29 113.55 1u1n s HIS 173 Ca 0.00 -0.88 -0.24 0.00 -0.15 0.00 0.00 55.06 53.79 1u1n s HIS 173 Cb 0.00 -0.51 -0.07 0.00 1.11 0.00 0.00 32.58 33.11 1u1n s HIS 173 CO 0.00 -0.14 1.31 1.21 -0.85 0.00 0.00 174.74 176.27 1u1n s ASN 174 N -2.95 5.82 0.04 1.40 3.84 -1.26 -0.89 114.94 120.94 1u1n s ASN 174 Ca 0.11 2.66 -0.00 0.00 0.21 0.00 0.00 52.86 55.83 1u1n s ASN 174 Cb 0.04 -2.63 -0.03 0.00 -0.55 0.00 0.00 41.25 38.08 1u1n s ASN 174 CO -0.04 -1.18 -0.04 0.00 -2.79 0.00 0.00 177.10 173.05 1u1n s GLU 176 N -2.87 4.09 -0.09 0.00 2.12 -0.07 -4.04 118.70 117.83 1u1n s GLU 176 Ca -0.02 0.37 0.02 0.00 0.36 0.00 0.00 54.97 55.70 1u1n s GLU 176 Cb -0.00 -3.31 0.01 0.00 0.26 0.00 0.00 34.13 31.09 1u1n s GLU 176 CO -0.05 0.47 -0.15 0.08 -0.54 0.00 0.00 175.26 175.06 1u1n s VAL 177 N -0.35 1.42 0.13 3.70 1.01 -1.26 -0.31 120.40 124.75 1u1n s VAL 177 Ca 0.23 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.60 1u1n s VAL 177 Cb -0.16 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1u1n s VAL 177 CO 0.11 0.42 -0.00 -0.13 0.00 0.00 0.00 175.10 175.50 1u1n s ARG 178 N 0.79 0.94 0.28 2.72 3.00 -0.62 -4.79 118.95 121.29 1u1n s ARG 178 Ca -0.11 -1.43 -0.29 0.00 0.00 0.00 0.00 55.73 53.89 1u1n s ARG 178 Cb -0.16 -0.06 -0.10 0.00 0.00 0.00 0.00 34.95 34.63 1u1n s ARG 178 CO 0.02 -0.14 1.39 0.15 0.00 0.00 0.00 175.30 176.71 1u1n s LYS 179 N -3.93 4.30 0.13 3.54 1.02 -1.26 0.35 119.74 123.88 1u1n s LYS 179 Ca 0.19 2.27 -0.30 0.00 0.02 0.00 0.00 55.97 58.15 1u1n s LYS 179 Cb 0.07 -3.09 -0.07 0.00 -0.52 0.00 0.00 37.83 34.21 1u1n s LYS 179 CO -0.00 -0.33 1.22 0.00 -0.92 0.00 0.00 175.35 175.32 1u1n s ALA 180 N -0.46 3.44 -0.00 5.17 0.00 -0.51 -4.57 121.76 124.84 1u1n s ALA 180 Ca 0.55 0.93 0.02 0.00 0.00 0.00 0.00 51.96 53.47 1u1n s ALA 180 Cb -0.41 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.23 1u1n s ALA 180 CO 0.47 -0.42 -0.04 -0.51 0.00 0.00 0.00 175.76 175.26 1u1n s LEU 181 N 0.41 3.33 1.00 0.00 1.43 -1.26 -4.95 118.68 118.64 1u1n s LEU 181 Ca 0.56 -0.08 -0.12 0.00 -1.03 0.00 0.00 54.13 53.46 1u1n s LEU 181 Cb -0.32 -1.90 0.19 0.00 0.03 0.00 0.00 46.19 44.19 1u1n s LEU 181 CO 0.33 0.29 1.09 -0.94 0.23 0.00 0.00 176.35 177.34 1u1n s SER 182 N -1.45 2.58 0.24 2.29 1.04 -1.26 -4.66 113.70 112.48 1u1n s SER 182 Ca 0.18 1.28 -0.04 0.00 0.48 0.00 0.00 55.95 57.85 1u1n s SER 182 Cb -0.11 -1.96 0.41 0.00 0.10 0.00 0.00 66.02 64.46 1u1n s SER 182 CO 0.08 -3.17 1.79 0.50 0.98 0.00 0.00 173.24 173.43 1u1n h LYS 183 N -1.92 0.68 -0.04 4.02 1.63 -1.99 0.32 116.57 119.28 1u1n h LYS 183 Ca -0.54 -0.04 -0.22 0.00 -0.85 0.00 0.00 60.65 59.00 1u1n h LYS 183 Cb 1.32 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 1u1n h LYS 183 CO 0.56 0.45 -0.88 1.96 -3.45 0.00 0.00 179.45 178.09 1u1n h GLN 184 N 0.70 0.49 -0.21 1.90 4.20 -1.99 -2.30 115.11 117.90 1u1n h GLN 184 Ca 0.40 -0.48 -0.10 0.00 0.06 0.00 0.00 58.65 58.53 1u1n h GLN 184 Cb 0.43 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 1u1n h GLN 184 CO -0.28 1.12 -0.30 0.93 -0.67 0.00 0.00 178.83 179.63 1u1n h GLU 185 N 0.30 0.41 -0.20 1.46 5.08 -1.69 -1.80 114.58 118.14 1u1n h GLU 185 Ca -0.07 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 1u1n h GLU 185 Cb 1.51 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.73 1u1n h GLU 185 CO 0.16 0.67 0.05 0.52 -1.00 0.00 0.00 179.01 179.41 1u1n h MET 186 N 0.36 0.31 -0.46 2.33 2.86 -0.33 -2.51 114.93 117.49 1u1n h MET 186 Ca 0.05 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1u1n h MET 186 Cb 0.71 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 1u1n h MET 186 CO 0.05 0.45 0.21 0.00 1.06 0.00 0.00 176.91 178.68 1u1n h ALA 187 N 0.85 0.60 0.00 6.32 0.00 -1.19 -2.20 119.26 123.64 1u1n h ALA 187 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1u1n h ALA 187 Cb 0.27 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1u1n h ALA 187 CO 0.00 0.18 0.00 -1.13 0.00 0.00 0.00 179.25 178.30 1u1n n SER 188 N -4.62 0.54 0.09 0.00 3.41 -0.70 -2.36 113.62 109.99 1u1n n SER 188 Ca 0.01 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.34 1u1n n SER 188 Cb 0.13 -0.73 0.05 0.00 -0.26 0.00 0.00 64.21 63.40 1u1n n SER 188 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1n h ALA 189 N 2.43 0.51 0.00 7.33 0.00 -0.97 -3.51 119.26 125.06 1u1n h ALA 189 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u1n h ALA 189 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1u1n h ALA 189 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.68