#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1k n GLU 9 N 0.00 0.88 -1.80 1.64 1.02 -1.26 -4.90 120.64 116.21 1u1k n GLU 9 Ca 0.00 0.35 -0.42 0.00 -0.02 0.00 0.00 57.16 57.08 1u1k n GLU 9 Cb 0.00 -2.34 -0.02 0.00 -0.02 0.00 0.00 31.44 29.06 1u1k n GLU 9 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1u1k s PRO 10 N -3.17 4.15 0.26 3.49 0.02 -1.26 -4.89 135.00 133.59 1u1k s PRO 10 Ca 0.79 2.54 -0.07 0.00 0.02 0.00 0.00 61.00 64.27 1u1k s PRO 10 Cb -0.38 -3.06 0.45 0.00 0.02 0.00 0.00 34.50 31.53 1u1k s PRO 10 CO 0.45 -0.64 1.60 1.49 -0.33 0.00 0.00 177.00 179.56 1u1k h GLU 11 N 5.56 0.03 -0.94 5.54 4.22 -1.97 -0.05 114.58 126.97 1u1k h GLU 11 Ca -0.45 -0.00 0.15 0.00 0.08 0.00 0.00 59.36 59.13 1u1k h GLU 11 Cb 1.21 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.38 1u1k h GLU 11 CO 0.85 0.02 0.60 0.37 -2.18 0.00 0.00 179.01 178.66 1u1k h GLN 12 N 0.03 0.73 -0.00 1.92 5.75 -1.95 -0.18 115.11 121.40 1u1k h GLN 12 Ca 0.44 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.90 1u1k h GLN 12 Cb 0.75 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 29.14 1u1k h GLN 12 CO -0.83 0.48 -0.21 1.28 -2.65 0.00 0.00 178.83 176.90 1u1k n LEU 13 N -4.60 0.28 -1.13 -2.39 4.77 -0.07 -3.31 117.00 110.55 1u1k n LEU 13 Ca 0.19 0.21 0.12 0.00 -0.03 0.00 0.00 56.01 56.50 1u1k n LEU 13 Cb 0.48 -0.34 0.21 0.00 -2.33 0.00 0.00 43.42 41.43 1u1k n LEU 13 CO 0.28 0.06 0.69 0.54 -1.33 0.00 0.00 177.39 177.64 1u1k n ARG 14 N -1.39 2.48 -4.52 3.23 1.74 -0.12 -4.70 116.66 113.38 1u1k n ARG 14 Ca 0.08 -2.26 -0.32 0.00 -0.77 0.00 0.00 57.85 54.57 1u1k n ARG 14 Cb 0.33 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.15 1u1k n ARG 14 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1u1k s LYS 15 N -1.48 2.55 -0.04 5.56 2.20 -0.95 -1.17 119.74 126.41 1u1k s LYS 15 Ca 0.38 -0.71 0.06 0.00 -0.36 0.00 0.00 55.97 55.34 1u1k s LYS 15 Cb 0.22 -2.49 -0.01 0.00 -1.51 0.00 0.00 37.83 34.04 1u1k s LYS 15 CO 0.31 0.61 -0.23 -0.51 -0.36 0.00 0.00 175.35 175.17 1u1k s LEU 16 N -1.28 2.03 -0.07 5.43 1.43 0.46 -2.29 118.68 124.39 1u1k s LEU 16 Ca 0.16 -0.45 -0.20 0.00 -1.03 0.00 0.00 54.13 52.61 1u1k s LEU 16 Cb -0.11 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 1u1k s LEU 16 CO 0.06 0.25 0.56 0.12 0.23 0.00 0.00 176.35 177.58 1u1k s PHE 17 N -0.33 3.59 -0.32 0.29 5.36 0.12 -1.83 117.98 124.85 1u1k s PHE 17 Ca 0.03 1.07 -0.04 0.00 -0.96 0.00 0.00 56.93 57.03 1u1k s PHE 17 Cb -0.11 -2.62 0.05 0.00 -0.34 0.00 0.00 43.02 40.00 1u1k s PHE 17 CO 0.01 0.22 0.05 0.42 -1.46 0.00 0.00 175.22 174.47 1u1k s ILE 18 N 0.37 3.31 0.24 3.12 -1.09 -0.45 -0.33 121.20 126.36 1u1k s ILE 18 Ca 0.30 -1.34 0.02 0.00 -2.23 0.00 0.00 60.65 57.40 1u1k s ILE 18 Cb -0.17 -2.92 -0.03 0.00 -1.58 0.00 0.00 42.46 37.76 1u1k s ILE 18 CO 0.14 -0.18 0.40 -0.83 -1.23 0.00 0.00 174.94 173.25 1u1k s GLY 19 N 1.36 1.48 -0.94 6.18 0.00 0.11 -2.14 107.32 113.37 1u1k s GLY 19 Ca -0.03 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 43.68 1u1k s GLY 19 CO 0.00 -0.99 0.00 0.61 0.00 0.00 0.00 173.10 172.72 1u1k n GLY 20 N -1.15 -0.05 3.77 0.20 0.00 -1.10 -0.11 105.19 106.75 1u1k n GLY 20 Ca -0.06 -0.43 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 1u1k n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u1k n LEU 21 N -1.56 5.07 -4.72 0.99 4.32 -0.66 -4.65 117.00 115.80 1u1k n LEU 21 Ca -0.13 1.15 -0.35 0.00 -0.02 0.00 0.00 56.01 56.66 1u1k n LEU 21 Cb 0.59 -1.61 0.09 0.00 -1.62 0.00 0.00 43.42 40.87 1u1k n LEU 21 CO 0.15 -0.07 0.81 -0.55 -1.22 0.00 0.00 177.39 176.52 1u1k s SER 22 N -0.39 4.22 0.56 -1.43 0.15 -1.26 -4.71 113.70 110.85 1u1k s SER 22 Ca 0.59 2.40 0.25 0.00 0.70 0.00 0.00 55.95 59.90 1u1k s SER 22 Cb -0.45 -2.59 1.54 0.00 -1.71 0.00 0.00 66.02 62.80 1u1k s SER 22 CO 0.59 -2.25 2.11 2.19 1.20 0.00 0.00 173.24 177.09 1u1k h PHE 23 N -0.19 0.00 -0.31 3.44 -5.15 -1.97 -2.12 116.94 110.65 1u1k h PHE 23 Ca -0.48 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.29 1u1k h PHE 23 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.47 1u1k h PHE 23 CO 0.46 0.00 0.00 -0.85 -2.00 0.00 0.00 178.31 175.92 1u1k n GLU 24 N -4.10 2.26 -2.36 6.09 0.28 -1.26 -4.77 120.64 116.79 1u1k n GLU 24 Ca 0.01 -1.90 -0.42 0.00 -0.16 0.00 0.00 57.16 54.69 1u1k n GLU 24 Cb 0.29 -1.47 -0.03 0.00 1.43 0.00 0.00 31.44 31.65 1u1k n GLU 24 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1u1k s THR 25 N -1.61 3.84 0.40 3.84 2.01 -0.80 -5.02 115.64 118.31 1u1k s THR 25 Ca 0.36 1.33 0.07 0.00 0.31 0.00 0.00 61.69 63.77 1u1k s THR 25 Cb 0.21 -3.85 -0.07 0.00 0.01 0.00 0.00 72.50 68.79 1u1k s THR 25 CO 0.30 0.11 0.02 0.42 -0.69 0.00 0.00 174.62 174.78 1u1k s THR 26 N 1.03 2.10 0.23 -0.82 -4.23 -1.26 -4.97 115.64 107.72 1u1k s THR 26 Ca 0.60 -1.98 -0.08 0.00 -1.18 0.00 0.00 61.69 59.05 1u1k s THR 26 Cb -0.31 -2.95 0.20 0.00 1.34 0.00 0.00 72.50 70.78 1u1k s THR 26 CO 0.30 -0.03 1.69 0.44 -0.54 0.00 0.00 174.62 176.47 1u1k h ASP 27 N 1.75 -0.04 -0.56 3.99 3.32 -1.93 0.83 116.42 123.79 1u1k h ASP 27 Ca -0.44 0.14 -0.04 0.00 0.02 0.00 0.00 57.03 56.71 1u1k h ASP 27 Cb 1.24 0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.96 1u1k h ASP 27 CO 0.78 -0.03 0.20 -0.33 -1.72 0.00 0.00 179.24 178.13 1u1k h GLU 28 N 0.24 0.85 -0.14 3.56 4.39 -1.96 -0.04 114.58 121.47 1u1k h GLU 28 Ca 0.36 -0.17 -0.15 0.00 0.34 0.00 0.00 59.36 59.75 1u1k h GLU 28 Cb 0.59 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1u1k h GLU 28 CO -0.48 0.75 -0.56 0.66 -1.16 0.00 0.00 179.01 178.23 1u1k h SER 29 N 0.77 0.48 -0.05 1.42 4.64 -1.71 -1.01 113.55 118.08 1u1k h SER 29 Ca 0.18 -0.26 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 1u1k h SER 29 Cb 0.23 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1u1k h SER 29 CO -0.01 0.94 -0.01 0.25 -0.87 0.00 0.00 176.83 177.12 1u1k h LEU 30 N 0.33 0.09 -0.30 5.97 5.85 -0.74 -2.70 115.31 123.82 1u1k h LEU 30 Ca 0.00 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.41 1u1k h LEU 30 Cb 1.08 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 1u1k h LEU 30 CO 0.10 0.44 0.05 -0.09 -0.34 0.00 0.00 178.44 178.59 1u1k h ARG 31 N -0.25 0.15 -0.79 1.25 2.43 -0.96 -1.96 114.38 114.24 1u1k h ARG 31 Ca 0.01 -0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.33 1u1k h ARG 31 Cb 0.39 -0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 29.81 1u1k h ARG 31 CO 0.00 0.10 0.32 1.03 -1.51 0.00 0.00 179.97 179.91 1u1k h SER 32 N 0.15 0.29 0.24 -3.80 0.87 -1.11 0.65 113.55 110.84 1u1k h SER 32 Ca 0.14 0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.81 1u1k h SER 32 Cb 0.16 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1u1k h SER 32 CO -0.20 0.09 -0.12 -0.74 -0.53 0.00 0.00 176.83 175.33 1u1k h HIS 33 N 0.44 -0.30 0.00 2.24 -0.00 -1.07 -3.33 115.15 113.13 1u1k h HIS 33 Ca 0.44 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.81 1u1k h HIS 33 Cb 0.71 0.10 0.00 0.00 -0.00 0.00 0.00 27.41 28.22 1u1k h HIS 33 CO -0.16 0.06 0.00 0.74 -0.00 0.00 0.00 177.93 178.56 1u1k h PHE 34 N -0.93 0.00 0.00 5.26 0.04 -1.29 -2.78 116.94 117.25 1u1k h PHE 34 Ca -0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1u1k h PHE 34 Cb 0.49 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.64 1u1k h PHE 34 CO 0.06 0.00 0.00 -1.91 -0.60 0.00 0.00 178.31 175.86 1u1k n GLU 35 N -2.43 0.14 0.09 1.51 2.13 0.21 -2.23 120.64 120.05 1u1k n GLU 35 Ca 0.02 0.45 0.09 0.00 0.66 0.00 0.00 57.16 58.38 1u1k n GLU 35 Cb 0.28 -1.80 0.41 0.00 0.27 0.00 0.00 31.44 30.60 1u1k n GLU 35 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1u1k n GLN 36 N -2.07 0.11 -0.03 5.31 6.02 -1.05 -2.51 117.38 123.17 1u1k n GLN 36 Ca 0.01 0.45 0.01 0.00 -0.01 0.00 0.00 57.00 57.46 1u1k n GLN 36 Cb 0.16 -1.76 0.02 0.00 1.02 0.00 0.00 30.24 29.68 1u1k n GLN 36 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1u1k n TRP 37 N -1.99 0.07 0.00 1.08 8.01 -0.95 -5.10 117.44 118.57 1u1k n TRP 37 Ca 0.01 -0.46 0.00 0.00 -1.31 0.00 0.00 57.50 55.74 1u1k n TRP 37 Cb 0.14 -0.04 0.00 0.00 -2.01 0.00 0.00 31.31 29.39 1u1k n TRP 37 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1u1k n GLY 38 N -0.30 1.78 3.69 6.99 0.00 -1.04 -4.73 105.19 111.58 1u1k n GLY 38 Ca 0.02 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 1u1k n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u1k s THR 39 N -1.93 4.26 -0.24 2.61 2.01 -1.26 -4.46 115.64 116.62 1u1k s THR 39 Ca 0.00 1.59 -0.14 0.00 0.31 0.00 0.00 61.69 63.45 1u1k s THR 39 Cb 0.00 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 1u1k s THR 39 CO 0.00 0.02 0.31 -0.76 -0.69 0.00 0.00 174.62 173.50 1u1k s LEU 40 N 1.97 4.09 0.00 4.42 1.43 -1.26 -1.64 118.68 127.69 1u1k s LEU 40 Ca 0.56 0.27 0.26 0.00 -1.03 0.00 0.00 54.13 54.19 1u1k s LEU 40 Cb -0.25 -2.34 0.70 0.00 0.03 0.00 0.00 46.19 44.34 1u1k s LEU 40 CO 0.23 -0.08 1.53 0.35 0.23 0.00 0.00 176.35 178.62 1u1k n THR 41 N 4.70 0.00 -3.64 5.49 -2.24 0.18 -4.87 114.28 113.89 1u1k n THR 41 Ca -0.11 -0.09 -0.07 0.00 -2.27 0.00 0.00 64.05 61.51 1u1k n THR 41 Cb 0.51 0.34 -0.07 0.00 -2.10 0.00 0.00 70.33 69.02 1u1k n THR 41 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1u1k s ASP 42 N -2.63 -0.46 -0.21 3.42 2.15 -1.21 -4.99 116.67 112.74 1u1k s ASP 42 Ca 0.21 0.85 -0.08 0.00 0.43 0.00 0.00 52.55 53.95 1u1k s ASP 42 Cb 0.19 0.94 0.09 0.00 -0.30 0.00 0.00 42.92 43.83 1u1k s ASP 42 CO 0.57 -0.14 0.46 0.00 -0.17 0.00 0.00 175.17 175.89 1u1k s VAL 44 N 2.34 0.02 -0.23 0.00 0.11 -0.37 -4.90 120.40 117.37 1u1k s VAL 44 Ca -0.04 -0.13 -0.07 0.00 -2.93 0.00 0.00 61.98 58.81 1u1k s VAL 44 Cb -0.11 -0.85 -0.03 0.00 -1.53 0.00 0.00 36.38 33.86 1u1k s VAL 44 CO -0.14 -0.07 0.06 -0.69 -3.33 0.00 0.00 175.10 170.93 1u1k s VAL 45 N -0.83 4.38 0.16 2.04 1.01 -1.26 -0.73 120.40 125.16 1u1k s VAL 45 Ca -0.09 -0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.43 1u1k s VAL 45 Cb -0.02 -3.03 -0.08 0.00 0.00 0.00 0.00 36.38 33.25 1u1k s VAL 45 CO 0.06 0.37 1.23 -0.04 0.00 0.00 0.00 175.10 176.72 1u1k s MET 46 N 1.28 4.45 0.28 2.72 -1.94 -0.40 -4.96 119.30 120.74 1u1k s MET 46 Ca 0.05 1.89 0.05 0.00 -1.71 0.00 0.00 55.69 55.97 1u1k s MET 46 Cb -0.15 -3.26 -0.06 0.00 2.01 0.00 0.00 34.83 33.38 1u1k s MET 46 CO 0.03 -0.17 -0.01 1.03 -0.01 0.00 0.00 175.02 175.89 1u1k s ARG 47 N 0.16 1.53 -0.02 2.03 0.52 -1.26 -0.68 118.95 121.23 1u1k s ARG 47 Ca 0.55 -1.80 -0.30 0.00 -0.52 0.00 0.00 55.73 53.66 1u1k s ARG 47 Cb -0.33 -0.93 -0.05 0.00 0.52 0.00 0.00 34.95 34.16 1u1k s ARG 47 CO 0.35 -0.07 1.44 0.34 0.02 0.00 0.00 175.30 177.38 1u1k s ASP 48 N -3.42 6.81 0.64 0.23 2.15 0.22 -4.79 116.67 118.50 1u1k s ASP 48 Ca 0.31 2.12 0.23 0.00 0.43 0.00 0.00 52.55 55.65 1u1k s ASP 48 Cb 0.06 -2.55 1.20 0.00 -0.30 0.00 0.00 42.92 41.33 1u1k s ASP 48 CO 0.12 -0.77 1.67 -0.65 -0.17 0.00 0.00 175.17 175.38 1u1k h PRO 49 N 8.15 0.00 0.00 4.34 0.11 -1.97 0.20 132.00 142.83 1u1k h PRO 49 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1u1k h PRO 49 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1u1k h PRO 49 CO 0.92 0.00 0.00 -1.71 -0.21 0.00 0.00 178.00 177.00 1u1k n ASN 50 N -3.05 0.00 0.00 -2.05 5.15 -1.26 -4.69 115.26 109.37 1u1k n ASN 50 Ca 0.03 0.00 0.05 0.00 -0.60 0.00 0.00 54.58 54.06 1u1k n ASN 50 Cb 0.69 -0.31 0.21 0.00 -0.53 0.00 0.00 39.78 39.83 1u1k n ASN 50 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1u1k n THR 51 N -2.43 1.33 -1.34 -0.44 -2.24 -1.23 -4.84 114.28 103.10 1u1k n THR 51 Ca 0.00 0.34 -0.13 0.00 -2.27 0.00 0.00 64.05 61.99 1u1k n THR 51 Cb 0.00 -1.18 -0.05 0.00 -2.10 0.00 0.00 70.33 67.00 1u1k n THR 51 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1u1k n LYS 52 N -1.52 -1.61 -3.03 -0.78 4.76 0.69 -4.91 118.16 111.76 1u1k n LYS 52 Ca 0.02 0.90 -0.33 0.00 -2.87 0.00 0.00 58.31 56.03 1u1k n LYS 52 Cb 0.11 -5.24 -0.06 0.00 -1.84 0.00 0.00 35.03 28.00 1u1k n LYS 52 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1u1k s ARG 53 N -3.01 4.10 0.20 1.97 3.00 -1.26 -4.59 118.95 119.36 1u1k s ARG 53 Ca 0.00 0.84 -0.31 0.00 -1.00 0.00 0.00 55.73 55.26 1u1k s ARG 53 Cb 0.00 -2.38 -0.10 0.00 0.00 0.00 0.00 34.95 32.47 1u1k s ARG 53 CO 0.00 0.11 1.48 0.45 0.00 0.00 0.00 175.30 177.34 1u1k s SER 54 N -2.20 6.65 0.00 -2.12 0.15 -1.26 0.70 113.70 115.63 1u1k s SER 54 Ca 0.56 2.60 0.25 0.00 0.70 0.00 0.00 55.95 60.06 1u1k s SER 54 Cb -0.10 -2.61 1.30 0.00 -1.71 0.00 0.00 66.02 62.90 1u1k s SER 54 CO 0.16 -0.74 1.86 0.54 1.20 0.00 0.00 173.24 176.27 1u1k n ARG 55 N 3.13 1.25 -0.92 5.44 1.74 0.15 -4.82 116.66 122.63 1u1k n ARG 55 Ca 0.10 -0.37 0.00 0.00 -0.77 0.00 0.00 57.85 56.81 1u1k n ARG 55 Cb 0.40 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 1u1k n ARG 55 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u1k n GLY 56 N 0.99 0.52 3.46 -0.13 0.00 -1.26 -5.02 105.19 103.75 1u1k n GLY 56 Ca 0.19 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 1u1k n GLY 56 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1u1k s PHE 57 N -2.00 -0.51 0.00 1.61 -0.12 -1.26 -1.65 117.98 114.05 1u1k s PHE 57 Ca 0.00 0.46 0.00 0.00 -0.05 0.00 0.00 56.93 57.34 1u1k s PHE 57 Cb 0.00 0.52 0.00 0.00 -0.63 0.00 0.00 43.02 42.91 1u1k s PHE 57 CO 0.00 -0.71 0.00 0.41 -0.05 0.00 0.00 175.22 174.87 1u1k n GLY 58 N -0.06 3.09 2.96 1.99 0.00 -0.91 -1.28 105.19 110.98 1u1k n GLY 58 Ca -0.15 -1.17 -0.12 0.00 0.00 0.00 0.00 46.02 44.59 1u1k n GLY 58 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u1k s PHE 59 N -5.07 -0.01 -0.03 1.61 0.40 0.09 -1.34 117.98 113.63 1u1k s PHE 59 Ca 0.00 0.04 0.04 0.00 -0.60 0.00 0.00 56.93 56.40 1u1k s PHE 59 Cb 0.00 -0.01 -0.00 0.00 0.51 0.00 0.00 43.02 43.51 1u1k s PHE 59 CO 0.00 -0.08 -0.14 0.14 0.70 0.00 0.00 175.22 175.84 1u1k s VAL 60 N -0.31 1.16 -0.11 -0.44 -7.23 -0.76 -1.24 120.40 111.47 1u1k s VAL 60 Ca -0.04 -0.57 0.01 0.00 -1.81 0.00 0.00 61.98 59.57 1u1k s VAL 60 Cb -0.02 -1.00 0.02 0.00 0.56 0.00 0.00 36.38 35.93 1u1k s VAL 60 CO 0.00 0.34 -0.12 -0.89 -0.31 0.00 0.00 175.10 174.12 1u1k s THR 61 N 0.07 1.27 0.49 5.32 2.01 0.30 -0.40 115.64 124.69 1u1k s THR 61 Ca -0.03 -0.48 0.00 0.00 0.31 0.00 0.00 61.69 61.49 1u1k s THR 61 Cb -0.10 -1.20 0.01 0.00 0.01 0.00 0.00 72.50 71.22 1u1k s THR 61 CO 0.01 0.40 0.71 -0.31 -0.69 0.00 0.00 174.62 174.75 1u1k s TYR 62 N 1.24 3.10 0.20 4.92 1.51 -0.32 0.47 117.35 128.46 1u1k s TYR 62 Ca -0.03 0.16 0.21 0.00 -1.01 0.00 0.00 57.07 56.41 1u1k s TYR 62 Cb -0.14 -2.48 0.85 0.00 -0.11 0.00 0.00 41.96 40.08 1u1k s TYR 62 CO -0.04 -0.55 1.81 0.00 -1.11 0.00 0.00 175.55 175.65 1u1k h ALA 63 N 0.27 1.06 -2.87 3.71 0.00 -1.63 -3.43 119.26 116.36 1u1k h ALA 63 Ca -0.45 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.04 1u1k h ALA 63 Cb 1.27 -0.05 -0.21 0.00 0.00 0.00 0.00 17.79 18.80 1u1k h ALA 63 CO 0.56 0.37 -0.54 0.95 0.00 0.00 0.00 179.25 180.59 1u1k s THR 64 N -3.72 0.08 0.42 0.00 -4.23 -1.26 -4.80 115.64 102.12 1u1k s THR 64 Ca -0.00 -0.65 0.34 0.00 -1.18 0.00 0.00 61.69 60.19 1u1k s THR 64 Cb 0.11 -0.37 0.36 0.00 1.34 0.00 0.00 72.50 73.94 1u1k s THR 64 CO 0.66 -0.36 2.14 -0.37 -0.54 0.00 0.00 174.62 176.15 1u1k h VAL 65 N 4.41 0.28 -0.49 2.29 -1.51 -1.87 -1.43 116.25 117.94 1u1k h VAL 65 Ca -0.30 -0.37 -0.00 0.00 -1.23 0.00 0.00 66.70 64.79 1u1k h VAL 65 Cb 1.20 1.28 -0.02 0.00 -2.13 0.00 0.00 31.29 31.61 1u1k h VAL 65 CO 0.41 0.06 0.30 -0.08 -1.23 0.00 0.00 177.57 177.02 1u1k h GLU 66 N 0.00 0.66 -0.28 5.19 4.81 -1.95 0.09 114.58 123.10 1u1k h GLU 66 Ca -0.00 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1u1k h GLU 66 Cb 0.28 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1u1k h GLU 66 CO 0.01 0.48 -0.05 0.93 -0.73 0.00 0.00 179.01 179.64 1u1k h GLU 67 N 0.66 0.45 -0.31 1.92 5.08 -1.55 -1.29 114.58 119.53 1u1k h GLU 67 Ca 0.18 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1u1k h GLU 67 Cb -0.02 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1u1k h GLU 67 CO -0.03 0.52 0.17 0.28 -1.00 0.00 0.00 179.01 178.95 1u1k h VAL 68 N 0.42 1.13 -0.84 3.13 2.07 -1.01 -1.63 116.25 119.53 1u1k h VAL 68 Ca 0.09 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.32 1u1k h VAL 68 Cb 0.37 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 1u1k h VAL 68 CO 0.02 0.13 0.54 0.44 0.02 0.00 0.00 177.57 178.71 1u1k h ASP 69 N 0.39 0.89 -0.36 0.57 3.32 -0.14 -0.62 116.42 120.47 1u1k h ASP 69 Ca 0.11 -0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.19 1u1k h ASP 69 Cb 0.05 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1u1k h ASP 69 CO -0.02 0.61 0.16 0.00 -1.72 0.00 0.00 179.24 178.28 1u1k h ALA 70 N 1.35 0.44 0.05 3.45 0.00 -0.81 0.17 119.26 123.91 1u1k h ALA 70 Ca 0.34 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.28 1u1k h ALA 70 Cb 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1u1k h ALA 70 CO -0.12 -0.22 -0.09 0.00 0.00 0.00 0.00 179.25 178.83 1u1k h ALA 71 N 1.20 -0.13 -0.25 0.00 0.00 -0.37 -1.75 119.26 117.95 1u1k h ALA 71 Ca 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1u1k h ALA 71 Cb 0.09 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1u1k h ALA 71 CO -0.13 -0.60 0.10 0.52 0.00 0.00 0.00 179.25 179.14 1u1k h MET 72 N -0.18 0.35 0.00 0.00 2.07 -0.73 0.15 114.93 116.60 1u1k h MET 72 Ca 0.02 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.61 1u1k h MET 72 Cb 0.19 -0.07 0.00 0.00 -1.87 0.00 0.00 31.60 29.85 1u1k h MET 72 CO -0.06 0.30 0.00 0.09 1.07 0.00 0.00 176.91 178.31 1u1k n ASN 73 N -4.43 0.00 -1.06 1.22 3.02 0.57 -2.80 115.26 111.78 1u1k n ASN 73 Ca 0.01 0.43 0.10 0.00 -0.03 0.00 0.00 54.58 55.09 1u1k n ASN 73 Cb 0.13 -0.47 0.26 0.00 -0.61 0.00 0.00 39.78 39.09 1u1k n ASN 73 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u1k n ALA 74 N -1.47 2.41 -1.49 5.41 0.00 0.53 -4.95 120.51 120.95 1u1k n ALA 74 Ca 0.05 -0.99 -0.35 0.00 0.00 0.00 0.00 53.44 52.16 1u1k n ALA 74 Cb 0.22 -0.95 0.07 0.00 0.00 0.00 0.00 19.45 18.79 1u1k n ALA 74 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1u1k s ARG 75 N -1.28 2.45 0.50 0.00 0.52 -1.12 -4.45 118.95 115.57 1u1k s ARG 75 Ca 0.39 1.74 -0.19 0.00 -0.52 0.00 0.00 55.73 57.14 1u1k s ARG 75 Cb 0.21 -1.87 -0.08 0.00 0.52 0.00 0.00 34.95 33.72 1u1k s ARG 75 CO 0.27 -1.59 1.01 -2.14 0.02 0.00 0.00 175.30 172.87 1u1k s PRO 76 N -3.78 3.84 -0.08 3.54 0.02 -1.26 -5.13 135.00 132.15 1u1k s PRO 76 Ca 0.74 1.21 0.01 0.00 0.02 0.00 0.00 61.00 62.98 1u1k s PRO 76 Cb -0.29 -2.11 -0.03 0.00 0.02 0.00 0.00 34.50 32.10 1u1k s PRO 76 CO 0.42 -0.38 -0.09 -1.01 -0.33 0.00 0.00 177.00 175.60 1u1k s HIS 77 N -2.22 2.88 -0.18 6.54 3.76 -1.26 -5.08 115.29 119.72 1u1k s HIS 77 Ca 0.64 -0.14 -0.00 0.00 -0.15 0.00 0.00 55.06 55.41 1u1k s HIS 77 Cb -0.13 -1.74 0.04 0.00 1.11 0.00 0.00 32.58 31.86 1u1k s HIS 77 CO 0.23 0.19 -0.06 0.21 -0.85 0.00 0.00 174.74 174.46 1u1k s LYS 78 N -0.51 1.58 -0.17 1.40 2.20 -1.26 -1.74 119.74 121.23 1u1k s LYS 78 Ca 0.07 -0.65 -0.01 0.00 -0.36 0.00 0.00 55.97 55.02 1u1k s LYS 78 Cb -0.12 -2.19 -0.00 0.00 -1.51 0.00 0.00 37.83 34.01 1u1k s LYS 78 CO 0.02 -0.46 -0.12 0.08 -0.36 0.00 0.00 175.35 174.51 1u1k s VAL 79 N 1.55 2.87 -1.40 4.02 1.01 0.12 -4.65 120.40 123.93 1u1k s VAL 79 Ca -0.01 -0.69 -0.08 0.00 0.00 0.00 0.00 61.98 61.20 1u1k s VAL 79 Cb -0.16 -2.24 0.04 0.00 0.00 0.00 0.00 36.38 34.02 1u1k s VAL 79 CO -0.08 0.50 0.97 0.47 0.00 0.00 0.00 175.10 176.96 1u1k n ASP 80 N 4.20 -4.07 -1.40 3.32 8.00 -1.26 -1.92 116.55 123.41 1u1k n ASP 80 Ca -0.19 -0.71 -0.12 0.00 0.71 0.00 0.00 54.79 54.48 1u1k n ASP 80 Cb 0.51 -4.35 -0.00 0.00 -0.02 0.00 0.00 41.12 37.26 1u1k n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u1k n GLY 81 N -1.69 -0.12 3.03 0.44 0.00 -1.26 -4.96 105.19 100.63 1u1k n GLY 81 Ca -0.08 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 1u1k n GLY 81 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1u1k s ARG 82 N -4.64 0.18 -0.15 1.61 6.06 -0.81 -5.11 118.95 116.10 1u1k s ARG 82 Ca 0.01 0.29 -0.29 0.00 -2.50 0.00 0.00 55.73 53.24 1u1k s ARG 82 Cb -0.00 0.03 -0.01 0.00 0.06 0.00 0.00 34.95 35.02 1u1k s ARG 82 CO 0.01 -0.06 1.15 0.08 -2.50 0.00 0.00 175.30 173.98 1u1k s VAL 83 N 0.40 4.46 0.37 7.11 1.01 -1.26 0.14 120.40 132.63 1u1k s VAL 83 Ca -0.03 1.76 0.08 0.00 0.00 0.00 0.00 61.98 63.79 1u1k s VAL 83 Cb -0.04 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 1u1k s VAL 83 CO -0.02 -0.10 0.32 0.68 0.00 0.00 0.00 175.10 175.98 1u1k s VAL 84 N 2.92 3.08 -0.34 2.92 -7.23 -0.71 -4.87 120.40 116.17 1u1k s VAL 84 Ca 0.51 -1.38 0.03 0.00 -1.81 0.00 0.00 61.98 59.33 1u1k s VAL 84 Cb -0.20 -3.08 0.10 0.00 0.56 0.00 0.00 36.38 33.76 1u1k s VAL 84 CO 0.14 -0.09 0.06 -0.70 -0.31 0.00 0.00 175.10 174.20 1u1k s GLU 85 N -4.05 1.38 0.06 4.82 2.12 0.85 -4.48 118.70 119.40 1u1k s GLU 85 Ca 0.44 -1.77 -0.27 0.00 0.36 0.00 0.00 54.97 53.73 1u1k s GLU 85 Cb -0.04 -3.05 -0.05 0.00 0.26 0.00 0.00 34.13 31.25 1u1k s GLU 85 CO 0.27 -0.94 0.86 -2.14 -0.54 0.00 0.00 175.26 172.76 1u1k s PRO 86 N 1.00 4.57 0.05 4.30 0.02 -1.26 0.07 135.00 143.75 1u1k s PRO 86 Ca 0.11 1.24 -0.07 0.00 0.02 0.00 0.00 61.00 62.30 1u1k s PRO 86 Cb -0.19 -3.38 -0.01 0.00 0.02 0.00 0.00 34.50 30.94 1u1k s PRO 86 CO -0.10 0.20 0.12 0.15 -0.33 0.00 0.00 177.00 177.04 1u1k s LYS 87 N 0.14 0.65 0.21 5.54 3.01 0.55 -4.97 119.74 124.87 1u1k s LYS 87 Ca 0.43 -0.79 -0.31 0.00 -1.01 0.00 0.00 55.97 54.29 1u1k s LYS 87 Cb -0.21 0.26 -0.11 0.00 -1.01 0.00 0.00 37.83 36.75 1u1k s LYS 87 CO 0.26 -0.17 1.64 1.03 0.51 0.00 0.00 175.35 178.62 1u1k s ARG 88 N -2.87 4.16 0.03 1.68 1.81 -1.26 0.12 118.95 122.62 1u1k s ARG 88 Ca -0.03 2.52 -0.30 0.00 -1.72 0.00 0.00 55.73 56.19 1u1k s ARG 88 Cb 0.00 -3.09 -0.07 0.00 -0.45 0.00 0.00 34.95 31.34 1u1k s ARG 88 CO -0.06 -0.68 1.58 0.00 -0.68 0.00 0.00 175.30 175.47 1u1k s ALA 89 N 0.94 3.65 -0.29 2.13 0.00 -0.97 -4.66 121.76 122.55 1u1k s ALA 89 Ca 0.71 1.08 -0.20 0.00 0.00 0.00 0.00 51.96 53.55 1u1k s ALA 89 Cb -0.47 -3.67 -0.01 0.00 0.00 0.00 0.00 23.12 18.96 1u1k s ALA 89 CO 0.35 -1.09 0.62 0.08 0.00 0.00 0.00 175.76 175.72 1u1k s VAL 90 N 2.76 4.96 0.84 0.00 1.01 -1.26 -4.93 120.40 123.77 1u1k s VAL 90 Ca 0.71 0.91 -0.15 0.00 0.00 0.00 0.00 61.98 63.45 1u1k s VAL 90 Cb -0.37 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 1u1k s VAL 90 CO 0.30 -0.09 0.35 -1.54 0.00 0.00 0.00 175.10 174.12 1u1k n SER 91 N 5.82 -2.04 -0.29 3.32 3.41 -1.26 -4.59 113.62 117.99 1u1k n SER 91 Ca -0.01 0.44 0.03 0.00 -0.26 0.00 0.00 58.87 59.08 1u1k n SER 91 Cb 0.49 -1.17 0.17 0.00 -0.26 0.00 0.00 64.21 63.45 1u1k n SER 91 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1u1k h ARG 92 N -0.94 0.75 -0.12 4.33 3.08 -1.98 -0.13 114.38 119.37 1u1k h ARG 92 Ca -0.44 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.56 1u1k h ARG 92 Cb 1.32 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 1u1k h ARG 92 CO 0.37 0.50 0.07 1.49 -1.07 0.00 0.00 179.97 181.33 1u1k h GLU 93 N 0.77 0.16 0.00 0.04 4.81 -2.03 -2.74 114.58 115.59 1u1k h GLU 93 Ca 0.40 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 1u1k h GLU 93 Cb 0.39 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1u1k h GLU 93 CO -0.26 0.12 0.00 -0.25 -0.73 0.00 0.00 179.01 177.89 1u1k n ASP 94 N -5.00 0.57 0.07 1.04 8.00 -0.96 -2.75 116.55 117.52 1u1k n ASP 94 Ca -0.05 0.58 0.11 0.00 0.71 0.00 0.00 54.79 56.14 1u1k n ASP 94 Cb 0.04 -0.72 0.43 0.00 -0.02 0.00 0.00 41.12 40.85 1u1k n ASP 94 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1u1k n SER 95 N -2.07 0.38 0.20 -2.24 7.64 -0.10 -2.25 113.62 115.19 1u1k n SER 95 Ca 0.05 0.58 0.07 0.00 1.01 0.00 0.00 58.87 60.58 1u1k n SER 95 Cb 0.34 -0.66 0.36 0.00 -1.01 0.00 0.00 64.21 63.24 1u1k n SER 95 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1u1k h GLN 96 N 0.00 0.00 -6.89 1.43 7.50 -1.56 -3.46 115.11 112.14 1u1k h GLN 96 Ca 0.00 0.00 -0.52 0.00 0.50 0.00 0.00 58.65 58.63 1u1k h GLN 96 Cb 0.40 0.00 0.05 0.00 0.05 0.00 0.00 27.48 27.98 1u1k h GLN 96 CO 0.00 0.31 0.56 1.03 -1.50 0.00 0.00 178.83 179.24 1u1k s ARG 97 N -3.56 4.27 0.24 1.46 0.52 -0.95 -4.97 118.95 115.97 1u1k s ARG 97 Ca 0.01 2.02 -0.30 0.00 -0.52 0.00 0.00 55.73 56.94 1u1k s ARG 97 Cb 0.10 -2.94 -0.10 0.00 0.52 0.00 0.00 34.95 32.53 1u1k s ARG 97 CO 0.67 -0.19 1.45 -2.14 0.02 0.00 0.00 175.30 175.11 1u1k s PRO 98 N -1.93 4.26 0.00 3.54 0.02 -1.26 -2.05 135.00 137.58 1u1k s PRO 98 Ca 0.51 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.84 1u1k s PRO 98 Cb -0.35 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.05 1u1k s PRO 98 CO 0.46 -0.43 0.00 0.41 -0.33 0.00 0.00 177.00 177.11 1u1k n GLY 99 N 2.30 0.74 0.44 0.52 0.00 -1.26 -4.91 105.19 103.02 1u1k n GLY 99 Ca 0.07 0.00 0.30 0.00 0.00 0.00 0.00 46.02 46.39 1u1k n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1k h ALA 100 N 0.00 2.49 -0.52 4.61 0.00 -1.72 -0.91 119.26 123.21 1u1k h ALA 100 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1u1k h ALA 100 Cb 0.03 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1u1k h ALA 100 CO 0.00 -1.01 0.00 0.72 0.00 0.00 0.00 179.25 178.96 1u1k n HIS 101 N -4.66 0.69 -2.42 0.00 8.25 -1.26 -4.99 115.22 110.83 1u1k n HIS 101 Ca 0.31 -0.40 -0.34 0.00 -0.26 0.00 0.00 57.72 57.03 1u1k n HIS 101 Cb 1.16 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 32.24 1u1k n HIS 101 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1u1k s LEU 102 N -1.14 3.75 -0.69 2.41 1.43 -0.35 -4.98 118.68 119.12 1u1k s LEU 102 Ca 0.39 1.89 -0.23 0.00 -1.03 0.00 0.00 54.13 55.16 1u1k s LEU 102 Cb 0.21 -4.55 0.07 0.00 0.03 0.00 0.00 46.19 41.95 1u1k s LEU 102 CO 0.29 -0.87 1.02 -0.89 0.23 0.00 0.00 176.35 176.12 1u1k s THR 103 N -2.11 4.25 0.21 5.49 2.01 -1.26 -5.02 115.64 119.21 1u1k s THR 103 Ca 0.66 -0.31 0.11 0.00 0.31 0.00 0.00 61.69 62.46 1u1k s THR 103 Cb -0.16 -4.73 -0.05 0.00 0.01 0.00 0.00 72.50 67.58 1u1k s THR 103 CO 0.24 -1.52 -0.22 0.68 -0.69 0.00 0.00 174.62 173.11 1u1k s VAL 104 N 4.25 2.43 -0.35 3.82 -7.23 -1.26 -5.04 120.40 117.01 1u1k s VAL 104 Ca 0.25 -2.08 0.06 0.00 -1.81 0.00 0.00 61.98 58.40 1u1k s VAL 104 Cb -0.15 -2.19 -0.05 0.00 0.56 0.00 0.00 36.38 34.55 1u1k s VAL 104 CO 0.10 -0.17 0.31 0.29 -0.31 0.00 0.00 175.10 175.32 1u1k n LYS 105 N 0.09 4.37 -4.82 4.82 5.02 -1.26 -4.39 118.16 121.99 1u1k n LYS 105 Ca -0.11 -0.12 -0.33 0.00 -2.02 0.00 0.00 58.31 55.73 1u1k n LYS 105 Cb 0.57 -0.82 -0.13 0.00 -0.02 0.00 0.00 35.03 34.62 1u1k n LYS 105 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1u1k s LYS 106 N -1.42 2.67 0.10 1.97 2.20 -1.26 -0.94 119.74 123.05 1u1k s LYS 106 Ca 0.03 -0.66 0.09 0.00 -0.36 0.00 0.00 55.97 55.07 1u1k s LYS 106 Cb 0.05 -2.45 -0.04 0.00 -1.51 0.00 0.00 37.83 33.87 1u1k s LYS 106 CO 0.22 0.58 -0.21 0.96 -0.36 0.00 0.00 175.35 176.54 1u1k s ILE 107 N -0.61 2.64 -0.19 5.43 -4.36 -0.21 -0.82 121.20 123.08 1u1k s ILE 107 Ca 0.09 -1.51 -0.13 0.00 -0.26 0.00 0.00 60.65 58.83 1u1k s ILE 107 Cb -0.11 -2.17 -0.05 0.00 1.25 0.00 0.00 42.46 41.38 1u1k s ILE 107 CO 0.01 0.15 0.28 0.12 0.24 0.00 0.00 174.94 175.75 1u1k s PHE 108 N -1.06 3.40 -0.31 1.37 5.36 0.13 -2.21 117.98 124.65 1u1k s PHE 108 Ca 0.16 0.50 -0.01 0.00 -0.96 0.00 0.00 56.93 56.62 1u1k s PHE 108 Cb -0.10 -2.37 0.06 0.00 -0.34 0.00 0.00 43.02 40.27 1u1k s PHE 108 CO 0.08 0.13 0.02 0.08 -1.46 0.00 0.00 175.22 174.07 1u1k s VAL 109 N 0.83 2.91 -0.07 3.12 1.01 0.71 -1.53 120.40 127.38 1u1k s VAL 109 Ca 0.15 -1.54 0.00 0.00 0.00 0.00 0.00 61.98 60.59 1u1k s VAL 109 Cb -0.13 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 1u1k s VAL 109 CO 0.05 -0.20 -0.05 -0.83 0.00 0.00 0.00 175.10 174.06 1u1k s GLY 110 N 1.29 1.73 0.00 4.51 0.00 0.82 -1.06 107.32 114.60 1u1k s GLY 110 Ca -0.03 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.82 1u1k s GLY 110 CO -0.02 -0.64 0.00 0.61 0.00 0.00 0.00 173.10 173.05 1u1k n GLY 111 N 2.23 0.84 3.85 0.20 0.00 -0.49 -0.89 105.19 110.94 1u1k n GLY 111 Ca -0.18 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 1u1k n GLY 111 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1u1k s ILE 112 N -2.34 5.23 1.03 -0.61 -4.36 -1.02 -4.68 121.20 114.45 1u1k s ILE 112 Ca 0.00 -0.06 -0.11 0.00 -0.26 0.00 0.00 60.65 60.22 1u1k s ILE 112 Cb 0.00 -3.34 0.20 0.00 1.25 0.00 0.00 42.46 40.57 1u1k s ILE 112 CO 0.00 0.48 1.03 0.29 0.24 0.00 0.00 174.94 176.98 1u1k n LYS 113 N 1.54 -1.25 -0.27 0.37 5.02 -1.26 -4.49 118.16 117.82 1u1k n LYS 113 Ca -0.16 -0.32 -0.03 0.00 -2.02 0.00 0.00 58.31 55.78 1u1k n LYS 113 Cb 0.54 -2.25 0.13 0.00 -0.02 0.00 0.00 35.03 33.42 1u1k n LYS 113 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1u1k h GLU 114 N -2.19 1.13 -0.74 1.97 4.39 -1.98 -2.61 114.58 114.55 1u1k h GLU 114 Ca -0.50 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.04 1u1k h GLU 114 Cb 1.30 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1u1k h GLU 114 CO 0.44 0.86 0.00 -0.40 -1.16 0.00 0.00 179.01 178.74 1u1k n ASP 115 N -4.32 2.22 -4.74 1.42 5.75 -1.26 -4.90 116.55 110.71 1u1k n ASP 115 Ca 0.08 -2.23 -0.41 0.00 -0.01 0.00 0.00 54.79 52.22 1u1k n ASP 115 Cb 0.13 -0.47 -0.03 0.00 -1.03 0.00 0.00 41.12 39.72 1u1k n ASP 115 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1u1k s THR 116 N -1.58 3.27 0.25 2.12 2.01 -0.99 -5.03 115.64 115.70 1u1k s THR 116 Ca 0.17 1.11 0.05 0.00 0.31 0.00 0.00 61.69 63.33 1u1k s THR 116 Cb 0.12 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 1u1k s THR 116 CO 0.06 0.20 -0.03 -1.61 -0.69 0.00 0.00 174.62 172.55 1u1k s GLU 117 N -0.57 1.44 0.34 4.92 2.02 -1.26 -5.05 118.70 120.53 1u1k s GLU 117 Ca 0.53 -1.73 0.08 0.00 0.02 0.00 0.00 54.97 53.87 1u1k s GLU 117 Cb -0.35 -0.89 0.78 0.00 0.10 0.00 0.00 34.13 33.77 1u1k s GLU 117 CO 0.40 -0.03 1.84 0.93 0.02 0.00 0.00 175.26 178.43 1u1k h GLU 118 N 2.38 0.72 -0.16 1.61 5.08 -2.00 -1.06 114.58 121.14 1u1k h GLU 118 Ca -0.39 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 57.91 1u1k h GLU 118 Cb 1.23 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1u1k h GLU 118 CO 0.66 0.47 0.01 1.12 -1.00 0.00 0.00 179.01 180.27 1u1k h HIS 119 N 0.74 0.23 -0.63 4.33 2.07 -1.99 -1.35 115.15 118.54 1u1k h HIS 119 Ca 0.48 -0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 57.99 1u1k h HIS 119 Cb 0.75 -0.07 -0.03 0.00 2.57 0.00 0.00 27.41 30.63 1u1k h HIS 119 CO -0.00 0.23 0.36 0.45 -3.07 0.00 0.00 177.93 175.90 1u1k h HIS 120 N 0.23 0.86 -0.43 6.12 3.86 -1.60 0.95 115.15 125.13 1u1k h HIS 120 Ca 0.06 -0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 59.14 1u1k h HIS 120 Cb 0.14 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 1u1k h HIS 120 CO 0.00 0.60 -0.16 -0.07 0.86 0.00 0.00 177.93 179.16 1u1k h LEU 121 N 0.86 0.90 -0.33 2.43 3.38 -1.32 -3.08 115.31 118.15 1u1k h LEU 121 Ca 0.23 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1u1k h LEU 121 Cb 0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1u1k h LEU 121 CO -0.04 1.08 0.08 0.03 0.09 0.00 0.00 178.44 179.68 1u1k h ARG 122 N 0.70 0.54 -0.03 1.13 3.08 -1.02 0.13 114.38 118.92 1u1k h ARG 122 Ca 0.10 -0.13 0.01 0.00 0.07 0.00 0.00 59.98 60.03 1u1k h ARG 122 Cb 0.72 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 1u1k h ARG 122 CO 0.05 0.60 0.13 -0.44 -1.07 0.00 0.00 179.97 179.24 1u1k h ASP 123 N 0.38 0.00 0.00 7.04 3.32 -0.74 -1.30 116.42 125.12 1u1k h ASP 123 Ca 0.10 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.82 1u1k h ASP 123 Cb 0.30 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.80 1u1k h ASP 123 CO 0.00 0.00 -2.18 0.00 -1.72 0.00 0.00 179.24 175.34 1u1k n TYR 124 N -3.17 0.00 0.10 4.55 9.36 -1.05 -4.78 117.16 122.18 1u1k n TYR 124 Ca -0.02 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.21 1u1k n TYR 124 Cb 0.20 -0.78 -0.02 0.00 -0.63 0.00 0.00 39.34 38.11 1u1k n TYR 124 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1u1k h PHE 125 N -0.30 0.00 -0.54 2.98 0.04 -0.60 -3.36 116.94 115.16 1u1k h PHE 125 Ca -0.49 0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.38 1u1k h PHE 125 Cb 1.62 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.74 1u1k h PHE 125 CO -0.01 0.57 0.37 0.93 -0.60 0.00 0.00 178.31 179.56 1u1k h GLU 126 N 0.00 0.27 0.00 1.51 5.08 -1.43 -0.69 114.58 119.33 1u1k h GLU 126 Ca -0.05 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1u1k h GLU 126 Cb 1.48 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.67 1u1k h GLU 126 CO 0.07 0.18 0.00 0.00 -1.00 0.00 0.00 179.01 178.25 1u1k n GLN 127 N -4.45 0.09 0.06 2.33 10.64 -1.26 -1.80 117.38 122.98 1u1k n GLN 127 Ca 0.09 0.48 0.11 0.00 -1.83 0.00 0.00 57.00 55.85 1u1k n GLN 127 Cb 0.41 -1.73 -0.04 0.00 -0.86 0.00 0.00 30.24 28.03 1u1k n GLN 127 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1u1k n TYR 128 N -1.90 0.57 0.00 2.61 4.02 -0.26 -5.06 117.16 117.13 1u1k n TYR 128 Ca 0.01 0.17 0.00 0.00 -0.01 0.00 0.00 57.90 58.06 1u1k n TYR 128 Cb 0.09 -0.73 0.00 0.00 -0.02 0.00 0.00 39.34 38.68 1u1k n TYR 128 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1u1k n GLY 129 N 1.24 1.09 3.69 2.72 0.00 -0.75 -4.45 105.19 108.73 1u1k n GLY 129 Ca -0.01 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 1u1k n GLY 129 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1u1k s LYS 130 N -1.93 4.17 -0.12 1.61 2.47 -1.26 -4.57 119.74 120.10 1u1k s LYS 130 Ca 0.00 2.46 -0.16 0.00 -1.56 0.00 0.00 55.97 56.71 1u1k s LYS 130 Cb 0.00 -3.65 -0.05 0.00 -1.46 0.00 0.00 37.83 32.67 1u1k s LYS 130 CO 0.00 -0.80 0.41 0.42 0.16 0.00 0.00 175.35 175.54 1u1k s ILE 131 N 2.86 5.21 -0.20 5.43 1.01 -1.26 -2.22 121.20 132.02 1u1k s ILE 131 Ca 0.78 0.80 0.02 0.00 0.00 0.00 0.00 60.65 62.25 1u1k s ILE 131 Cb -0.42 -3.74 -0.14 0.00 0.01 0.00 0.00 42.46 38.17 1u1k s ILE 131 CO 0.35 0.38 -0.17 -0.62 0.00 0.00 0.00 174.94 174.88 1u1k n GLU 132 N 3.40 0.57 -3.99 2.79 -0.58 0.24 -4.94 120.64 118.13 1u1k n GLU 132 Ca -0.10 0.11 -0.11 0.00 -0.42 0.00 0.00 57.16 56.64 1u1k n GLU 132 Cb 0.52 -1.41 -0.12 0.00 -0.57 0.00 0.00 31.44 29.85 1u1k n GLU 132 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1u1k s VAL 133 N -2.41 0.20 -0.03 2.62 1.01 -0.82 -4.98 120.40 115.99 1u1k s VAL 133 Ca -0.27 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1u1k s VAL 133 Cb 0.07 -0.28 0.03 0.00 0.00 0.00 0.00 36.38 36.20 1u1k s VAL 133 CO 0.49 -0.30 0.00 -0.63 0.00 0.00 0.00 175.10 174.66 1u1k s ILE 134 N -0.98 0.17 -0.20 2.22 1.01 -1.26 -0.72 121.20 121.45 1u1k s ILE 134 Ca -0.09 0.11 -0.05 0.00 0.00 0.00 0.00 60.65 60.61 1u1k s ILE 134 Cb -0.07 -0.28 0.07 0.00 0.01 0.00 0.00 42.46 42.19 1u1k s ILE 134 CO -0.00 0.15 0.10 -1.61 0.00 0.00 0.00 174.94 173.58 1u1k s GLU 135 N 1.14 0.10 -0.43 2.79 2.02 -0.25 -5.00 118.70 119.07 1u1k s GLU 135 Ca -0.08 -0.19 -0.22 0.00 0.02 0.00 0.00 54.97 54.50 1u1k s GLU 135 Cb -0.13 -1.69 0.02 0.00 0.10 0.00 0.00 34.13 32.43 1u1k s GLU 135 CO -0.02 -0.75 0.71 0.42 0.02 0.00 0.00 175.26 175.64 1u1k s ILE 136 N 2.12 4.76 0.32 -1.63 1.01 -1.26 -0.86 121.20 125.66 1u1k s ILE 136 Ca 0.04 0.33 -0.29 0.00 0.00 0.00 0.00 60.65 60.74 1u1k s ILE 136 Cb -0.16 -4.24 -0.10 0.00 0.01 0.00 0.00 42.46 37.97 1u1k s ILE 136 CO -0.15 -0.60 1.20 -0.04 0.00 0.00 0.00 174.94 175.34 1u1k s MET 137 N 3.01 4.44 0.17 2.79 -1.94 -0.52 -4.99 119.30 122.25 1u1k s MET 137 Ca 0.26 1.98 0.06 0.00 -1.71 0.00 0.00 55.69 56.28 1u1k s MET 137 Cb -0.13 -3.06 -0.05 0.00 2.01 0.00 0.00 34.83 33.60 1u1k s MET 137 CO 0.20 -0.03 -0.12 0.95 -0.01 0.00 0.00 175.02 176.01 1u1k s THR 138 N -1.19 1.37 0.14 2.05 -4.23 -1.26 -1.68 115.64 110.84 1u1k s THR 138 Ca 0.48 -2.12 -0.30 0.00 -1.18 0.00 0.00 61.69 58.57 1u1k s THR 138 Cb -0.35 -1.92 -0.07 0.00 1.34 0.00 0.00 72.50 71.50 1u1k s THR 138 CO 0.46 -0.69 1.19 -0.62 -0.54 0.00 0.00 174.62 174.42 1u1k s ASP 139 N -3.22 7.09 -0.17 3.99 -1.08 0.26 -4.86 116.67 118.68 1u1k s ASP 139 Ca 0.19 2.15 -0.29 0.00 -0.52 0.00 0.00 52.55 54.07 1u1k s ASP 139 Cb 0.01 -2.60 -0.03 0.00 -1.46 0.00 0.00 42.92 38.85 1u1k s ASP 139 CO 0.03 -0.40 1.58 -0.13 0.52 0.00 0.00 175.17 176.77 1u1k s ARG 140 N 0.22 3.94 0.00 4.34 0.52 -1.26 -1.17 118.95 125.54 1u1k s ARG 140 Ca 0.55 1.79 0.00 0.00 -0.52 0.00 0.00 55.73 57.55 1u1k s ARG 140 Cb -0.31 -3.99 0.00 0.00 0.52 0.00 0.00 34.95 31.17 1u1k s ARG 140 CO 0.34 -1.11 0.00 0.41 0.02 0.00 0.00 175.30 174.95 1u1k n GLY 141 N 4.40 2.97 0.09 -3.53 0.00 -1.26 -4.77 105.19 103.09 1u1k n GLY 141 Ca 0.18 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 1u1k n GLY 141 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1u1k h SER 142 N 0.00 0.12 0.00 1.61 0.87 -1.94 -3.47 113.55 110.74 1u1k h SER 142 Ca 0.00 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 1u1k h SER 142 Cb 0.00 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1u1k h SER 142 CO 0.00 1.17 0.00 0.61 -0.53 0.00 0.00 176.83 178.08 1u1k n GLY 143 N 1.57 1.75 3.77 5.77 0.00 -0.32 -4.96 105.19 112.77 1u1k n GLY 143 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 1u1k n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u1k s LYS 144 N -0.00 4.18 0.33 1.61 -0.14 -1.26 -4.57 119.74 119.88 1u1k s LYS 144 Ca 0.00 2.02 -0.28 0.00 -1.36 0.00 0.00 55.97 56.34 1u1k s LYS 144 Cb 0.00 -2.86 -0.10 0.00 -1.68 0.00 0.00 37.83 33.19 1u1k s LYS 144 CO 0.00 -0.27 1.25 0.15 -0.76 0.00 0.00 175.35 175.72 1u1k s LYS 145 N -2.05 4.38 0.00 1.68 -0.14 -1.26 0.90 119.74 123.25 1u1k s LYS 145 Ca 0.53 2.08 0.24 0.00 -1.36 0.00 0.00 55.97 57.47 1u1k s LYS 145 Cb -0.35 -3.05 0.22 0.00 -1.68 0.00 0.00 37.83 32.96 1u1k s LYS 145 CO 0.45 -0.12 1.25 0.54 -0.76 0.00 0.00 175.35 176.72 1u1k n ARG 146 N 0.80 1.76 -1.37 1.68 1.74 -0.68 -4.81 116.66 115.79 1u1k n ARG 146 Ca 0.00 -1.41 0.00 0.00 -0.77 0.00 0.00 57.85 55.67 1u1k n ARG 146 Cb 0.43 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 1u1k n ARG 146 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u1k n GLY 147 N 1.36 0.46 3.46 -0.13 0.00 -1.26 -4.98 105.19 104.10 1u1k n GLY 147 Ca 0.12 -0.92 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 1u1k n GLY 147 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1u1k s PHE 148 N -2.00 -0.57 0.11 1.61 -0.12 -1.26 -1.39 117.98 114.35 1u1k s PHE 148 Ca 0.00 0.65 -0.02 0.00 -0.05 0.00 0.00 56.93 57.51 1u1k s PHE 148 Cb 0.00 0.48 -0.03 0.00 -0.63 0.00 0.00 43.02 42.83 1u1k s PHE 148 CO 0.00 -0.74 0.06 0.00 -0.05 0.00 0.00 175.22 174.49 1u1k s ALA 149 N -2.64 0.62 -0.06 1.99 0.00 -0.23 -1.44 121.76 120.00 1u1k s ALA 149 Ca -0.04 -1.29 0.06 0.00 0.00 0.00 0.00 51.96 50.68 1u1k s ALA 149 Cb -0.01 0.67 -0.01 0.00 0.00 0.00 0.00 23.12 23.77 1u1k s ALA 149 CO -0.03 -0.47 -0.24 -0.06 0.00 0.00 0.00 175.76 174.97 1u1k s PHE 150 N -3.99 2.48 -0.07 0.00 0.08 -0.04 -0.21 117.98 116.23 1u1k s PHE 150 Ca 0.17 -0.68 0.03 0.00 0.12 0.00 0.00 56.93 56.57 1u1k s PHE 150 Cb 0.07 -1.62 0.01 0.00 -0.57 0.00 0.00 43.02 40.91 1u1k s PHE 150 CO -0.03 -0.19 -0.16 0.08 -0.10 0.00 0.00 175.22 174.82 1u1k s VAL 151 N -0.17 1.43 -0.17 -0.44 1.01 -0.94 -1.09 120.40 120.03 1u1k s VAL 151 Ca -0.03 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 1u1k s VAL 151 Cb -0.14 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 1u1k s VAL 151 CO 0.04 0.42 -0.08 -0.89 0.00 0.00 0.00 175.10 174.59 1u1k s THR 152 N 0.49 3.36 0.53 3.92 2.01 0.11 -1.05 115.64 125.01 1u1k s THR 152 Ca -0.14 -0.53 0.08 0.00 0.31 0.00 0.00 61.69 61.40 1u1k s THR 152 Cb -0.16 -2.47 0.05 0.00 0.01 0.00 0.00 72.50 69.93 1u1k s THR 152 CO 0.05 0.48 0.56 -0.36 -0.69 0.00 0.00 174.62 174.66 1u1k s PHE 153 N 0.76 1.76 -2.37 4.92 0.40 -0.12 0.80 117.98 124.13 1u1k s PHE 153 Ca -0.03 -0.72 0.21 0.00 -0.60 0.00 0.00 56.93 55.79 1u1k s PHE 153 Cb -0.15 -2.09 0.31 0.00 0.51 0.00 0.00 43.02 41.60 1u1k s PHE 153 CO 0.02 -0.69 1.28 -0.40 0.70 0.00 0.00 175.22 176.13 1u1k n ASP 154 N -1.93 3.11 -3.77 1.36 3.85 -0.94 -4.69 116.55 113.53 1u1k n ASP 154 Ca 0.06 -1.92 -0.14 0.00 -0.71 0.00 0.00 54.79 52.08 1u1k n ASP 154 Cb 0.63 -0.15 -0.15 0.00 -1.35 0.00 0.00 41.12 40.10 1u1k n ASP 154 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1u1k s ASP 155 N -1.52 -0.04 0.47 -1.12 2.15 -1.26 -5.03 116.67 110.32 1u1k s ASP 155 Ca 0.31 0.18 0.20 0.00 0.43 0.00 0.00 52.55 53.67 1u1k s ASP 155 Cb 0.20 0.09 1.16 0.00 -0.30 0.00 0.00 42.92 44.06 1u1k s ASP 155 CO 0.28 -0.12 2.00 1.12 -0.17 0.00 0.00 175.17 178.28 1u1k h HIS 156 N 7.08 0.00 0.00 -5.34 2.07 -1.91 -2.10 115.15 114.95 1u1k h HIS 156 Ca -0.41 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.05 1u1k h HIS 156 Cb 1.14 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.11 1u1k h HIS 156 CO 0.46 0.18 -0.26 0.22 -3.07 0.00 0.00 177.93 175.46 1u1k h ASP 157 N 0.00 0.00 -0.18 3.10 3.58 -1.96 -0.84 116.42 120.11 1u1k h ASP 157 Ca -0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1u1k h ASP 157 Cb 0.38 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 1u1k h ASP 157 CO 0.02 0.26 0.08 0.28 -2.88 0.00 0.00 179.24 177.00 1u1k h SER 158 N 0.00 0.25 -0.44 2.28 0.02 -1.59 0.67 113.55 114.73 1u1k h SER 158 Ca -0.00 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 1u1k h SER 158 Cb 0.56 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 1u1k h SER 158 CO 0.03 0.33 0.23 0.58 -1.14 0.00 0.00 176.83 176.86 1u1k h VAL 159 N 0.15 1.17 -0.68 2.27 2.07 -1.47 -2.71 116.25 117.05 1u1k h VAL 159 Ca 0.06 -0.46 -0.06 0.00 0.82 0.00 0.00 66.70 67.06 1u1k h VAL 159 Cb 0.15 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1u1k h VAL 159 CO -0.01 0.18 0.20 0.44 0.02 0.00 0.00 177.57 178.41 1u1k h ASP 160 N 0.57 0.99 0.08 0.57 3.32 -0.96 -0.73 116.42 120.26 1u1k h ASP 160 Ca 0.15 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1u1k h ASP 160 Cb 0.09 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 1u1k h ASP 160 CO -0.02 0.93 -0.08 0.11 -1.72 0.00 0.00 179.24 178.46 1u1k h LYS 161 N 1.01 0.00 0.07 3.56 1.57 -0.70 -2.79 116.57 119.30 1u1k h LYS 161 Ca 0.22 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1u1k h LYS 161 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1u1k h LYS 161 CO -0.01 0.08 -0.03 0.82 -0.57 0.00 0.00 179.45 179.73 1u1k h ILE 162 N 0.00 0.00 -0.00 1.86 2.04 -0.99 -3.37 117.51 117.05 1u1k h ILE 162 Ca -0.00 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.09 1u1k h ILE 162 Cb 0.13 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.21 1u1k h ILE 162 CO 0.01 0.00 0.11 -0.37 0.00 0.00 0.00 178.15 177.90 1u1k h VAL 163 N -0.86 0.01 0.00 1.67 -1.51 -1.18 -1.02 116.25 113.35 1u1k h VAL 163 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 1u1k h VAL 163 Cb 0.07 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 30.13 1u1k h VAL 163 CO 0.02 0.00 0.00 2.30 -1.23 0.00 0.00 177.57 178.66 1u1k n ILE 164 N -3.03 0.18 -3.33 7.19 -5.35 -1.06 -4.79 119.36 109.19 1u1k n ILE 164 Ca -0.03 0.05 -0.24 0.00 -0.27 0.00 0.00 62.75 62.26 1u1k n ILE 164 Cb 0.17 -0.60 -0.01 0.00 -1.74 0.00 0.00 39.64 37.46 1u1k n ILE 164 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1u1k s GLN 165 N -2.88 3.50 -0.08 6.28 -0.21 -0.39 -5.04 119.66 120.84 1u1k s GLN 165 Ca 0.16 -0.28 0.03 0.00 0.02 0.00 0.00 55.36 55.30 1u1k s GLN 165 Cb 0.17 -2.64 -0.25 0.00 1.00 0.00 0.00 33.01 31.29 1u1k s GLN 165 CO 0.46 0.13 0.53 1.17 -2.12 0.00 0.00 175.29 175.46 1u1k n LYS 166 N -1.75 0.69 -4.89 2.91 4.81 -1.26 -4.96 118.16 113.72 1u1k n LYS 166 Ca -0.04 0.28 -0.29 0.00 -0.87 0.00 0.00 58.31 57.39 1u1k n LYS 166 Cb 0.56 -1.76 -0.15 0.00 0.02 0.00 0.00 35.03 33.71 1u1k n LYS 166 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1u1k s TYR 167 N -2.58 2.14 -0.08 5.64 2.02 -1.26 -4.93 117.35 118.30 1u1k s TYR 167 Ca -0.13 -0.40 -0.03 0.00 -0.37 0.00 0.00 57.07 56.14 1u1k s TYR 167 Cb 0.07 -1.30 0.04 0.00 -0.40 0.00 0.00 41.96 40.38 1u1k s TYR 167 CO 0.80 0.09 0.16 -1.01 -1.57 0.00 0.00 175.55 174.02 1u1k s HIS 168 N -0.76 -0.19 -0.31 2.71 3.76 -1.26 -5.04 115.29 114.21 1u1k s HIS 168 Ca 0.10 0.58 -0.09 0.00 -0.15 0.00 0.00 55.06 55.49 1u1k s HIS 168 Cb -0.09 -0.16 -0.01 0.00 1.11 0.00 0.00 32.58 33.43 1u1k s HIS 168 CO 0.01 -0.23 0.15 0.99 -0.85 0.00 0.00 174.74 174.81 1u1k s THR 169 N 1.76 4.55 -0.08 1.30 2.01 -1.26 -0.68 115.64 123.24 1u1k s THR 169 Ca -0.03 -0.43 0.03 0.00 0.31 0.00 0.00 61.69 61.57 1u1k s THR 169 Cb -0.12 -3.32 0.01 0.00 0.01 0.00 0.00 72.50 69.08 1u1k s THR 169 CO -0.06 0.07 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.08 1u1k s VAL 170 N 1.61 1.51 -1.39 3.82 1.01 0.05 -4.76 120.40 122.25 1u1k s VAL 170 Ca 0.04 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 1u1k s VAL 170 Cb -0.17 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 34.90 1u1k s VAL 170 CO 0.06 0.44 0.72 -3.20 0.00 0.00 0.00 175.10 173.11 1u1k n ASN 171 N 3.63 -1.87 0.00 3.32 5.15 -1.26 -2.10 115.26 122.12 1u1k n ASN 171 Ca -0.21 -0.85 0.00 0.00 -0.60 0.00 0.00 54.58 52.92 1u1k n ASN 171 Cb 0.52 -3.81 0.00 0.00 -0.53 0.00 0.00 39.78 35.96 1u1k n ASN 171 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1u1k n GLY 172 N -1.67 2.94 3.17 8.20 0.00 -1.26 -4.96 105.19 111.61 1u1k n GLY 172 Ca -0.22 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 1u1k n GLY 172 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u1k s HIS 173 N -2.64 0.91 0.44 1.61 3.76 -0.89 -5.08 115.29 113.40 1u1k s HIS 173 Ca 0.00 -0.95 -0.24 0.00 -0.15 0.00 0.00 55.06 53.73 1u1k s HIS 173 Cb 0.00 -0.53 -0.08 0.00 1.11 0.00 0.00 32.58 33.08 1u1k s HIS 173 CO 0.00 -0.18 1.19 1.21 -0.85 0.00 0.00 174.74 176.10 1u1k s ASN 174 N -3.05 6.24 0.04 1.40 3.84 -1.26 -0.77 114.94 121.37 1u1k s ASN 174 Ca 0.13 2.37 -0.01 0.00 0.21 0.00 0.00 52.86 55.56 1u1k s ASN 174 Cb 0.06 -2.61 -0.03 0.00 -0.55 0.00 0.00 41.25 38.12 1u1k s ASN 174 CO -0.04 -0.88 -0.02 0.00 -2.79 0.00 0.00 177.10 173.37 1u1k s GLU 176 N -2.84 4.24 -0.15 0.00 2.12 -0.06 -4.04 118.70 117.98 1u1k s GLU 176 Ca -0.03 0.45 0.02 0.00 0.36 0.00 0.00 54.97 55.77 1u1k s GLU 176 Cb 0.00 -3.52 0.01 0.00 0.26 0.00 0.00 34.13 30.88 1u1k s GLU 176 CO -0.06 -0.06 -0.19 0.08 -0.54 0.00 0.00 175.26 174.49 1u1k s VAL 177 N 1.32 2.28 0.10 3.70 1.01 -1.26 -0.13 120.40 127.42 1u1k s VAL 177 Ca 0.25 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1u1k s VAL 177 Cb -0.15 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 1u1k s VAL 177 CO 0.10 0.54 -0.03 -0.13 0.00 0.00 0.00 175.10 175.58 1u1k s ARG 178 N 0.84 0.82 0.40 2.72 1.81 -0.58 -4.73 118.95 120.22 1u1k s ARG 178 Ca -0.06 -1.34 -0.27 0.00 -1.72 0.00 0.00 55.73 52.34 1u1k s ARG 178 Cb -0.15 -0.03 -0.10 0.00 -0.45 0.00 0.00 34.95 34.22 1u1k s ARG 178 CO -0.02 -0.10 1.42 0.15 -0.68 0.00 0.00 175.30 176.08 1u1k s LYS 179 N -3.90 4.00 0.20 3.54 1.02 -1.26 0.17 119.74 123.51 1u1k s LYS 179 Ca 0.14 2.43 -0.30 0.00 0.02 0.00 0.00 55.97 58.26 1u1k s LYS 179 Cb 0.07 -2.86 -0.08 0.00 -0.52 0.00 0.00 37.83 34.43 1u1k s LYS 179 CO -0.04 -0.57 1.13 0.00 -0.92 0.00 0.00 175.35 174.95 1u1k s ALA 180 N -1.16 3.40 -0.06 5.17 0.00 0.00 -4.54 121.76 124.57 1u1k s ALA 180 Ca 0.55 0.87 0.03 0.00 0.00 0.00 0.00 51.96 53.42 1u1k s ALA 180 Cb -0.44 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.29 1u1k s ALA 180 CO 0.58 -0.25 -0.14 -0.51 0.00 0.00 0.00 175.76 175.44 1u1k s LEU 181 N -0.59 2.71 1.11 0.00 1.43 -1.26 -4.94 118.68 117.14 1u1k s LEU 181 Ca 0.49 -0.22 -0.13 0.00 -1.03 0.00 0.00 54.13 53.24 1u1k s LEU 181 Cb -0.31 -1.56 0.25 0.00 0.03 0.00 0.00 46.19 44.61 1u1k s LEU 181 CO 0.37 0.32 1.05 -0.94 0.23 0.00 0.00 176.35 177.38 1u1k s SER 182 N -0.57 1.54 0.21 2.29 1.04 -1.26 -4.69 113.70 112.26 1u1k s SER 182 Ca 0.08 1.35 -0.09 0.00 0.48 0.00 0.00 55.95 57.77 1u1k s SER 182 Cb -0.11 -2.09 0.26 0.00 0.10 0.00 0.00 66.02 64.18 1u1k s SER 182 CO 0.01 -3.83 1.79 0.50 0.98 0.00 0.00 173.24 172.69 1u1k h LYS 183 N -2.37 0.58 -0.06 4.02 3.64 -2.00 -1.02 116.57 119.36 1u1k h LYS 183 Ca -0.59 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 58.56 1u1k h LYS 183 Cb 1.34 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1u1k h LYS 183 CO 0.54 0.38 -0.77 1.96 -2.27 0.00 0.00 179.45 179.29 1u1k h GLN 184 N 0.60 0.37 -0.64 1.90 4.20 -2.00 -2.98 115.11 116.56 1u1k h GLN 184 Ca 0.31 -0.32 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 1u1k h GLN 184 Cb 0.27 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 1u1k h GLN 184 CO -0.22 0.97 0.22 0.93 -0.67 0.00 0.00 178.83 180.06 1u1k h GLU 185 N 0.24 0.95 0.27 1.46 5.08 -1.78 -1.94 114.58 118.87 1u1k h GLU 185 Ca -0.04 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 1u1k h GLU 185 Cb 1.35 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1u1k h GLU 185 CO 0.13 0.81 -0.13 0.52 -1.00 0.00 0.00 179.01 179.34 1u1k h MET 186 N 0.93 -0.35 0.00 2.33 2.86 -1.15 -2.39 114.93 117.17 1u1k h MET 186 Ca 0.21 0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.85 1u1k h MET 186 Cb 0.24 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 1u1k h MET 186 CO -0.01 -0.21 -0.14 0.00 1.06 0.00 0.00 176.91 177.61 1u1k h ALA 187 N 0.34 1.56 -0.07 6.32 0.00 -1.37 0.96 119.26 127.00 1u1k h ALA 187 Ca -0.04 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 1u1k h ALA 187 Cb 0.30 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1u1k h ALA 187 CO 0.06 0.17 -0.72 0.77 0.00 0.00 0.00 179.25 179.54 1u1k h SER 188 N 0.00 0.41 0.04 0.00 0.02 -1.15 -3.10 113.55 109.77 1u1k h SER 188 Ca -0.00 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1u1k h SER 188 Cb 0.28 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1u1k h SER 188 CO 0.02 1.00 -0.19 0.00 -1.14 0.00 0.00 176.83 176.52 1u1k n ALA 189 N -2.50 2.93 1.23 3.77 0.00 -0.90 -5.11 120.51 119.94 1u1k n ALA 189 Ca -0.04 -0.56 0.10 0.00 0.00 0.00 0.00 53.44 52.94 1u1k n ALA 189 Cb 0.70 -0.96 0.59 0.00 0.00 0.00 0.00 19.45 19.77 1u1k n ALA 189 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95