#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ikz s MET 1 N 0.00 3.31 -0.13 4.33 1.00 -1.26 -5.01 119.30 121.54 3ikz s MET 1 Ca 0.00 -0.66 0.01 0.00 0.00 0.00 0.00 55.69 55.04 3ikz s MET 1 Cb 0.00 -2.92 0.02 0.00 0.00 0.00 0.00 34.83 31.92 3ikz s MET 1 CO 0.00 -0.19 -0.16 0.08 0.00 0.00 0.00 175.02 174.74 3ikz s VAL 2 N 1.43 1.63 -0.15 -6.03 1.01 -1.26 -5.04 120.40 111.99 3ikz s VAL 2 Ca 0.05 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 3ikz s VAL 2 Cb -0.14 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 3ikz s VAL 2 CO -0.05 0.47 0.07 -0.69 0.00 0.00 0.00 175.10 174.89 3ikz s VAL 3 N 1.11 4.85 -0.03 2.92 1.01 -1.26 -2.00 120.40 127.00 3ikz s VAL 3 Ca -0.03 -0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.00 3ikz s VAL 3 Cb -0.14 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 3ikz s VAL 3 CO -0.05 0.53 -0.24 0.00 0.00 0.00 0.00 175.10 175.34 3ikz s ALA 4 N -0.22 2.22 -0.13 5.51 0.00 -0.67 -2.31 121.76 126.16 3ikz s ALA 4 Ca 0.08 -1.09 -0.05 0.00 0.00 0.00 0.00 51.96 50.89 3ikz s ALA 4 Cb -0.12 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 3ikz s ALA 4 CO 0.01 0.51 0.06 0.08 0.00 0.00 0.00 175.76 176.43 3ikz s VAL 5 N -0.54 4.83 -0.46 0.00 1.01 0.27 -0.81 120.40 124.70 3ikz s VAL 5 Ca 0.08 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.03 3ikz s VAL 5 Cb -0.11 -3.11 0.12 0.00 0.00 0.00 0.00 36.38 33.28 3ikz s VAL 5 CO 0.00 0.55 0.21 -0.47 0.00 0.00 0.00 175.10 175.40 3ikz s TYR 6 N -0.43 3.50 0.32 5.22 5.04 0.74 0.19 117.35 131.94 3ikz s TYR 6 Ca 0.10 -2.88 -0.05 0.00 -2.44 0.00 0.00 57.07 51.80 3ikz s TYR 6 Cb -0.12 -3.01 -0.05 0.00 0.35 0.00 0.00 41.96 39.13 3ikz s TYR 6 CO 0.02 -0.88 0.59 -1.25 -1.34 0.00 0.00 175.55 172.70 3ikz s PRO 7 N 0.44 3.62 0.00 4.97 0.04 -1.26 -1.26 135.00 141.55 3ikz s PRO 7 Ca 0.13 0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.20 3ikz s PRO 7 Cb -0.22 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.72 3ikz s PRO 7 CO -0.04 0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.55 3ikz n GLY 8 N -1.19 -0.04 0.10 0.56 0.00 -0.59 -4.92 105.19 99.10 3ikz n GLY 8 Ca -0.01 -0.90 -0.14 0.00 0.00 0.00 0.00 46.02 44.96 3ikz n GLY 8 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ikz h THR 9 N 0.15 1.53 -6.52 2.61 2.02 -1.86 -0.69 112.91 110.14 3ikz h THR 9 Ca 0.00 -3.09 -0.46 0.00 0.77 0.00 0.00 66.41 63.64 3ikz h THR 9 Cb 0.00 2.90 0.02 0.00 -1.74 0.00 0.00 68.15 69.33 3ikz h THR 9 CO 0.00 0.90 -0.92 0.49 0.37 0.00 0.00 175.52 176.36 3ikz n PHE 10 N -3.52 -1.92 -3.34 3.16 3.01 -1.26 -4.64 117.46 108.95 3ikz n PHE 10 Ca -0.07 0.54 -0.27 0.00 1.01 0.00 0.00 57.45 58.66 3ikz n PHE 10 Cb 1.00 -3.09 -0.07 0.00 -0.01 0.00 0.00 39.48 37.31 3ikz n PHE 10 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3ikz n ASP 11 N -2.41 3.84 -4.98 4.37 2.03 -1.26 -3.22 116.55 114.91 3ikz n ASP 11 Ca -0.17 -3.48 -0.20 0.00 0.52 0.00 0.00 54.79 51.47 3ikz n ASP 11 Cb 0.61 -0.65 0.02 0.00 -0.72 0.00 0.00 41.12 40.38 3ikz n ASP 11 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3ikz s PRO 12 N -2.63 2.51 -0.08 -0.67 0.04 -1.26 -4.83 135.00 128.09 3ikz s PRO 12 Ca 0.41 -1.54 -0.36 0.00 0.04 0.00 0.00 61.00 59.56 3ikz s PRO 12 Cb 0.17 -2.57 -0.13 0.00 0.04 0.00 0.00 34.50 32.00 3ikz s PRO 12 CO -0.03 -0.53 1.75 -0.11 0.04 0.00 0.00 177.00 178.12 3ikz n LEU 13 N -1.94 2.98 -5.01 -3.56 7.94 -1.20 -5.00 117.00 111.21 3ikz n LEU 13 Ca 0.09 1.03 -0.18 0.00 -1.11 0.00 0.00 56.01 55.84 3ikz n LEU 13 Cb 0.61 -1.31 0.03 0.00 0.53 0.00 0.00 43.42 43.28 3ikz n LEU 13 CO 0.40 -0.27 0.23 0.42 -1.11 0.00 0.00 177.39 177.06 3ikz s THR 14 N 3.12 2.72 0.46 1.96 -4.23 -1.26 -4.71 115.64 113.69 3ikz s THR 14 Ca 0.91 -0.96 0.14 0.00 -1.18 0.00 0.00 61.69 60.60 3ikz s THR 14 Cb -0.80 -2.75 0.20 0.00 1.34 0.00 0.00 72.50 70.48 3ikz s THR 14 CO 0.52 0.00 2.02 0.03 -0.54 0.00 0.00 174.62 176.65 3ikz h ARG 15 N 0.44 0.02 0.23 3.99 3.08 -1.34 -0.23 114.38 120.57 3ikz h ARG 15 Ca -0.37 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.66 3ikz h ARG 15 Cb 1.28 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 3ikz h ARG 15 CO 0.44 0.16 -0.11 0.78 -1.07 0.00 0.00 179.97 180.17 3ikz h GLY 16 N 0.45 -0.32 0.74 0.04 0.00 -1.86 -0.10 103.07 102.01 3ikz h GLY 16 Ca 0.00 0.12 0.05 0.00 0.00 0.00 0.00 47.33 47.50 3ikz h GLY 16 CO 0.02 -0.12 0.33 0.45 0.00 0.00 0.00 176.54 177.22 3ikz h HIS 17 N -0.43 0.61 -0.60 5.60 3.86 -1.89 -2.18 115.15 120.12 3ikz h HIS 17 Ca -0.03 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 3ikz h HIS 17 Cb 0.33 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.58 3ikz h HIS 17 CO -0.03 0.31 0.23 1.49 0.86 0.00 0.00 177.93 180.79 3ikz h GLU 18 N 0.63 0.88 -0.57 2.45 4.22 -0.86 -0.96 114.58 120.36 3ikz h GLU 18 Ca 0.26 -0.14 -0.09 0.00 0.08 0.00 0.00 59.36 59.47 3ikz h GLU 18 Cb 0.13 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3ikz h GLU 18 CO -0.16 0.72 0.02 0.22 -2.18 0.00 0.00 179.01 177.64 3ikz h ASP 19 N 0.86 0.95 -0.68 1.04 3.58 -0.63 -1.49 116.42 120.05 3ikz h ASP 19 Ca 0.20 -0.25 -0.06 0.00 0.42 0.00 0.00 57.03 57.35 3ikz h ASP 19 Cb 0.18 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.95 3ikz h ASP 19 CO -0.02 1.00 0.21 -0.07 -2.88 0.00 0.00 179.24 177.48 3ikz h LEU 20 N 0.90 1.01 -0.09 2.28 3.38 -0.83 -1.30 115.31 120.66 3ikz h LEU 20 Ca 0.17 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3ikz h LEU 20 Cb 0.50 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3ikz h LEU 20 CO 0.02 0.94 0.05 0.58 0.09 0.00 0.00 178.44 180.12 3ikz h VAL 21 N 1.04 1.09 -0.23 1.22 2.07 -0.70 0.35 116.25 121.08 3ikz h VAL 21 Ca 0.23 -0.24 0.06 0.00 0.82 0.00 0.00 66.70 67.57 3ikz h VAL 21 Cb 0.30 1.08 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 3ikz h VAL 21 CO -0.01 0.07 -0.24 -0.09 0.02 0.00 0.00 177.57 177.33 3ikz h ARG 22 N 0.05 -0.24 -0.05 1.57 2.43 -1.06 -1.28 114.38 115.80 3ikz h ARG 22 Ca 0.03 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3ikz h ARG 22 Cb 0.08 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3ikz h ARG 22 CO -0.01 -0.16 0.02 0.00 -1.51 0.00 0.00 179.97 178.32 3ikz h ARG 23 N -0.25 0.07 -0.64 0.20 3.08 -1.08 -2.70 114.38 113.07 3ikz h ARG 23 Ca 0.13 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 3ikz h ARG 23 Cb 0.45 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 3ikz h ARG 23 CO -0.38 0.16 0.22 0.00 -1.07 0.00 0.00 179.97 178.91 3ikz h ALA 24 N 0.90 1.18 0.00 0.04 0.00 -0.85 -2.81 119.26 117.73 3ikz h ALA 24 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3ikz h ALA 24 Cb 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3ikz h ALA 24 CO -0.00 0.58 0.00 0.66 0.00 0.00 0.00 179.25 180.49 3ikz h SER 25 N 0.93 0.00 1.08 0.00 4.64 -1.16 -0.40 113.55 118.63 3ikz h SER 25 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3ikz h SER 25 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3ikz h SER 25 CO -0.01 0.00 -0.19 -1.54 -0.87 0.00 0.00 176.83 174.22 3ikz n SER 26 N -2.52 0.50 -0.12 4.97 3.41 -1.03 -4.22 113.62 114.62 3ikz n SER 26 Ca 0.03 0.35 -0.25 0.00 -0.26 0.00 0.00 58.87 58.74 3ikz n SER 26 Cb 0.33 -0.37 -0.11 0.00 -0.26 0.00 0.00 64.21 63.80 3ikz n SER 26 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3ikz n ILE 27 N -1.89 1.55 -3.54 -1.33 2.08 -0.52 -4.99 119.36 110.71 3ikz n ILE 27 Ca 0.06 -0.39 -0.28 0.00 0.56 0.00 0.00 62.75 62.69 3ikz n ILE 27 Cb 0.39 -1.79 -0.03 0.00 -0.75 0.00 0.00 39.64 37.46 3ikz n ILE 27 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 3ikz s PHE 28 N -2.49 3.48 0.10 1.39 0.40 -0.28 -5.00 117.98 115.58 3ikz s PHE 28 Ca -0.35 0.50 -0.19 0.00 -0.60 0.00 0.00 56.93 56.30 3ikz s PHE 28 Cb 0.11 -1.98 -0.07 0.00 0.51 0.00 0.00 43.02 41.59 3ikz s PHE 28 CO 0.56 0.30 1.61 -0.44 0.70 0.00 0.00 175.22 177.96 3ikz h ASP 29 N 1.98 0.37 -3.73 1.36 3.32 -1.71 -3.43 116.42 114.58 3ikz h ASP 29 Ca -0.48 -0.20 -0.43 0.00 0.02 0.00 0.00 57.03 55.94 3ikz h ASP 29 Cb 1.19 -0.10 -0.31 0.00 0.22 0.00 0.00 39.33 40.33 3ikz h ASP 29 CO 0.68 0.47 -0.79 -0.89 -1.72 0.00 0.00 179.24 176.99 3ikz s THR 30 N -5.41 0.79 -0.20 0.35 2.01 -1.18 -4.81 115.64 107.20 3ikz s THR 30 Ca -0.14 -0.35 -0.00 0.00 0.31 0.00 0.00 61.69 61.52 3ikz s THR 30 Cb 0.08 -0.72 0.02 0.00 0.01 0.00 0.00 72.50 71.89 3ikz s THR 30 CO 0.73 0.25 -0.14 -0.22 -0.69 0.00 0.00 174.62 174.55 3ikz s LEU 31 N 0.32 2.52 -0.37 4.42 2.96 -0.04 -1.66 118.68 126.82 3ikz s LEU 31 Ca -0.05 -0.68 -0.13 0.00 -0.22 0.00 0.00 54.13 53.05 3ikz s LEU 31 Cb -0.10 -1.56 0.01 0.00 0.50 0.00 0.00 46.19 45.04 3ikz s LEU 31 CO 0.01 -0.03 0.25 -0.69 -1.32 0.00 0.00 176.35 174.56 3ikz s VAL 32 N 1.32 5.04 -0.36 1.68 1.01 0.01 -0.92 120.40 128.17 3ikz s VAL 32 Ca 0.04 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.16 3ikz s VAL 32 Cb -0.14 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.52 3ikz s VAL 32 CO -0.09 -0.17 1.27 -0.69 0.00 0.00 0.00 175.10 175.42 3ikz s VAL 33 N 1.66 4.13 -0.37 2.92 1.01 0.16 -0.18 120.40 129.72 3ikz s VAL 33 Ca 0.05 1.24 -0.13 0.00 0.00 0.00 0.00 61.98 63.14 3ikz s VAL 33 Cb -0.18 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 31.93 3ikz s VAL 33 CO 0.09 -0.65 0.24 -0.83 0.00 0.00 0.00 175.10 173.95 3ikz s GLY 34 N 2.89 1.96 -0.51 4.51 0.00 -0.39 -0.99 107.32 114.79 3ikz s GLY 34 Ca 0.55 -1.61 -0.25 0.00 0.00 0.00 0.00 44.72 43.41 3ikz s GLY 34 CO 0.26 0.84 0.93 0.14 0.00 0.00 0.00 173.10 175.27 3ikz s VAL 35 N 1.64 4.43 0.18 1.40 1.01 0.77 -1.54 120.40 128.29 3ikz s VAL 35 Ca 0.04 0.50 -0.30 0.00 0.00 0.00 0.00 61.98 62.22 3ikz s VAL 35 Cb -0.18 -4.49 -0.08 0.00 0.00 0.00 0.00 36.38 31.63 3ikz s VAL 35 CO 0.08 -0.98 1.19 0.00 0.00 0.00 0.00 175.10 175.39 3ikz s ALA 36 N 3.86 3.43 0.20 5.51 0.00 -0.27 -1.12 121.76 133.38 3ikz s ALA 36 Ca 0.33 0.94 -0.11 0.00 0.00 0.00 0.00 51.96 53.12 3ikz s ALA 36 Cb -0.11 -3.41 0.25 0.00 0.00 0.00 0.00 23.12 19.85 3ikz s ALA 36 CO 0.23 -0.36 1.70 0.22 0.00 0.00 0.00 175.76 177.55 3ikz h ASP 37 N 5.26 -0.04 -5.07 0.00 3.58 -1.28 -3.43 116.42 115.43 3ikz h ASP 37 Ca -0.44 0.11 -0.41 0.00 0.42 0.00 0.00 57.03 56.71 3ikz h ASP 37 Cb 1.21 0.16 0.03 0.00 1.72 0.00 0.00 39.33 42.45 3ikz h ASP 37 CO 0.74 -0.00 -0.62 -1.20 -2.88 0.00 0.00 179.24 175.28 3ikz n SER 38 N -5.15 -5.45 -0.34 2.28 7.64 -1.26 -4.83 113.62 106.51 3ikz n SER 38 Ca 0.07 -0.39 0.09 0.00 1.01 0.00 0.00 58.87 59.65 3ikz n SER 38 Cb 0.29 -4.40 0.19 0.00 -1.01 0.00 0.00 64.21 59.29 3ikz n SER 38 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 3ikz h ARG 39 N -1.53 0.01 0.00 1.43 2.43 -1.98 -0.30 114.38 114.45 3ikz h ARG 39 Ca -0.52 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.64 3ikz h ARG 39 Cb 1.35 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.89 3ikz h ARG 39 CO 0.57 0.01 -0.07 0.00 -1.51 0.00 0.00 179.97 178.97 3ikz h ALA 40 N 1.95 1.63 -0.00 2.80 0.00 -2.02 -0.87 119.26 122.74 3ikz h ALA 40 Ca 0.51 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3ikz h ALA 40 Cb 0.90 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3ikz h ALA 40 CO -0.94 0.09 -0.01 1.63 0.00 0.00 0.00 179.25 180.02 3ikz n LYS 41 N -4.08 0.51 -3.66 0.00 5.02 -0.12 -4.96 118.16 110.87 3ikz n LYS 41 Ca -0.03 -0.01 -0.24 0.00 -2.02 0.00 0.00 58.31 56.01 3ikz n LYS 41 Cb 0.15 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.68 3ikz n LYS 41 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3ikz n LYS 42 N -1.23 -1.26 -1.90 1.97 5.02 -0.33 -4.88 118.16 115.54 3ikz n LYS 42 Ca 0.15 0.76 -0.38 0.00 -2.02 0.00 0.00 58.31 56.82 3ikz n LYS 42 Cb 0.23 -3.39 0.03 0.00 -0.02 0.00 0.00 35.03 31.88 3ikz n LYS 42 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3ikz s PRO 43 N -5.08 3.24 0.17 1.97 0.02 -1.26 -4.92 135.00 129.13 3ikz s PRO 43 Ca 0.16 2.10 -0.14 0.00 0.02 0.00 0.00 61.00 63.14 3ikz s PRO 43 Cb -0.07 -2.25 0.06 0.00 0.02 0.00 0.00 34.50 32.26 3ikz s PRO 43 CO 0.87 -1.07 1.76 0.35 -0.33 0.00 0.00 177.00 178.59 3ikz h PHE 44 N 1.51 0.75 -2.80 6.54 3.57 -1.89 -3.42 116.94 121.21 3ikz h PHE 44 Ca -0.51 -0.03 -0.57 0.00 3.53 0.00 0.00 57.97 60.40 3ikz h PHE 44 Cb 1.29 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.76 3ikz h PHE 44 CO 0.47 0.57 -0.42 -0.06 -2.23 0.00 0.00 178.31 176.64 3ikz s PHE 45 N -5.79 3.49 0.89 0.41 0.40 -1.26 -5.10 117.98 111.02 3ikz s PHE 45 Ca -0.13 0.26 -0.12 0.00 -0.60 0.00 0.00 56.93 56.34 3ikz s PHE 45 Cb 0.12 -1.78 0.13 0.00 0.51 0.00 0.00 43.02 42.00 3ikz s PHE 45 CO 0.77 0.49 1.12 -1.54 0.70 0.00 0.00 175.22 176.76 3ikz s SER 46 N -2.93 3.64 0.20 1.36 1.04 -1.26 -4.79 113.70 110.96 3ikz s SER 46 Ca 0.36 1.06 -0.11 0.00 0.48 0.00 0.00 55.95 57.75 3ikz s SER 46 Cb -0.12 -1.68 0.17 0.00 0.10 0.00 0.00 66.02 64.49 3ikz s SER 46 CO 0.28 -2.48 1.83 0.25 0.98 0.00 0.00 173.24 174.10 3ikz h LEU 47 N -1.45 0.62 -0.87 2.42 5.85 -1.95 0.02 115.31 119.96 3ikz h LEU 47 Ca -0.50 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.16 3ikz h LEU 47 Cb 1.32 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 3ikz h LEU 47 CO 0.61 0.43 0.10 -0.08 -0.34 0.00 0.00 178.44 179.16 3ikz h GLU 48 N 0.75 0.94 -0.54 1.25 4.81 -2.00 -1.28 114.58 118.52 3ikz h GLU 48 Ca 0.26 -0.23 -0.12 0.00 -0.13 0.00 0.00 59.36 59.15 3ikz h GLU 48 Cb 0.04 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3ikz h GLU 48 CO -0.11 0.87 -0.12 0.93 -0.73 0.00 0.00 179.01 179.85 3ikz h GLU 49 N 0.89 1.03 -0.53 1.92 5.08 -1.77 -2.16 114.58 119.03 3ikz h GLU 49 Ca 0.18 -0.39 -0.04 0.00 -1.00 0.00 0.00 59.36 58.11 3ikz h GLU 49 Cb 0.38 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3ikz h GLU 49 CO 0.01 1.08 0.15 0.00 -1.00 0.00 0.00 179.01 179.24 3ikz h ARG 50 N 0.90 0.79 -0.20 2.33 3.08 -0.55 0.20 114.38 120.93 3ikz h ARG 50 Ca 0.14 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3ikz h ARG 50 Cb 0.69 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 3ikz h ARG 50 CO 0.05 0.70 0.06 -0.07 -1.07 0.00 0.00 179.97 179.64 3ikz h LEU 51 N 0.77 0.29 -0.11 3.04 3.38 -1.14 -1.36 115.31 120.18 3ikz h LEU 51 Ca 0.18 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3ikz h LEU 51 Cb 0.25 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3ikz h LEU 51 CO -0.01 0.42 0.05 0.11 0.09 0.00 0.00 178.44 179.10 3ikz h LYS 52 N 0.15 0.15 -0.43 1.13 1.57 -0.93 0.34 116.57 118.55 3ikz h LYS 52 Ca 0.06 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.90 3ikz h LYS 52 Cb 0.23 -0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.42 3ikz h LYS 52 CO -0.00 0.24 -0.32 0.82 -0.57 0.00 0.00 179.45 179.62 3ikz h ILE 53 N 0.04 0.23 -0.56 1.86 2.04 -0.99 0.95 117.51 121.07 3ikz h ILE 53 Ca 0.04 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.82 3ikz h ILE 53 Cb 0.14 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 3ikz h ILE 53 CO -0.00 0.00 0.04 0.00 0.00 0.00 0.00 178.15 178.19 3ikz h ALA 54 N 0.83 0.76 -0.73 1.87 0.00 -1.00 -2.83 119.26 118.16 3ikz h ALA 54 Ca 0.18 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3ikz h ALA 54 Cb 0.53 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3ikz h ALA 54 CO -0.56 0.55 0.27 -0.91 0.00 0.00 0.00 179.25 178.60 3ikz h ASN 55 N 0.86 1.01 -0.96 0.00 2.35 0.18 0.38 115.58 119.39 3ikz h ASN 55 Ca 0.17 -0.16 0.03 0.00 -0.55 0.00 0.00 56.30 55.78 3ikz h ASN 55 Cb 0.48 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.54 3ikz h ASN 55 CO 0.02 0.91 0.63 -0.33 -1.65 0.00 0.00 177.43 177.00 3ikz h GLU 56 N 1.06 1.21 0.11 0.81 5.08 -0.69 -0.42 114.58 121.74 3ikz h GLU 56 Ca 0.24 -0.07 -0.28 0.00 -1.00 0.00 0.00 59.36 58.25 3ikz h GLU 56 Cb 0.23 -0.27 0.01 0.00 0.50 0.00 0.00 28.75 29.22 3ikz h GLU 56 CO -0.02 0.80 -1.20 0.28 -1.00 0.00 0.00 179.01 177.87 3ikz h VAL 57 N 1.24 1.39 -0.00 3.13 2.07 -1.20 -3.38 116.25 119.50 3ikz h VAL 57 Ca 0.37 -2.71 0.00 0.00 0.82 0.00 0.00 66.70 65.18 3ikz h VAL 57 Cb -0.06 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 3ikz h VAL 57 CO -0.10 0.81 -0.69 0.18 0.02 0.00 0.00 177.57 177.78 3ikz n LEU 58 N -3.68 1.00 0.07 2.57 4.77 0.08 -4.57 117.00 117.25 3ikz n LEU 58 Ca -0.10 -0.56 0.15 0.00 -0.03 0.00 0.00 56.01 55.46 3ikz n LEU 58 Cb 0.98 0.00 0.64 0.00 -2.33 0.00 0.00 43.42 42.71 3ikz n LEU 58 CO 0.55 0.23 1.15 1.23 -1.33 0.00 0.00 177.39 179.21 3ikz h GLY 59 N 3.91 0.10 2.00 -0.72 0.00 -1.26 -0.79 103.07 106.30 3ikz h GLY 59 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3ikz h GLY 59 CO 0.00 0.02 0.00 -2.39 0.00 0.00 0.00 176.54 174.17 3ikz n HIS 60 N -4.45 0.64 -2.82 5.60 1.44 -1.26 -4.63 115.22 109.74 3ikz n HIS 60 Ca 0.05 0.26 -0.42 0.00 -2.01 0.00 0.00 57.72 55.60 3ikz n HIS 60 Cb 0.39 -0.92 -0.04 0.00 0.12 0.00 0.00 29.99 29.54 3ikz n HIS 60 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 3ikz s TYR 61 N -3.28 3.32 0.34 -1.40 2.02 -0.30 -4.94 117.35 113.10 3ikz s TYR 61 Ca 0.04 1.23 0.17 0.00 -0.37 0.00 0.00 57.07 58.14 3ikz s TYR 61 Cb 0.09 -3.12 0.87 0.00 -0.40 0.00 0.00 41.96 39.40 3ikz s TYR 61 CO 0.34 -0.43 1.86 -1.00 -1.57 0.00 0.00 175.55 174.75 3ikz h PRO 62 N 7.62 0.00 -0.35 -1.71 0.13 -1.88 -3.02 132.00 132.78 3ikz h PRO 62 Ca -0.22 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.89 3ikz h PRO 62 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3ikz h PRO 62 CO 0.90 0.32 0.01 0.27 -0.23 0.00 0.00 178.00 179.27 3ikz n ASN 63 N -3.88 4.24 -4.48 1.44 6.94 -1.26 -4.93 115.26 113.32 3ikz n ASN 63 Ca -0.02 -3.06 -0.35 0.00 -0.02 0.00 0.00 54.58 51.14 3ikz n ASN 63 Cb 0.39 -0.59 -0.12 0.00 -2.36 0.00 0.00 39.78 37.10 3ikz n ASN 63 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3ikz s VAL 64 N -2.86 4.17 -0.06 3.53 1.01 -1.14 -0.86 120.40 124.18 3ikz s VAL 64 Ca 0.46 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.21 3ikz s VAL 64 Cb 0.37 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 3ikz s VAL 64 CO 0.10 0.42 -0.08 -0.54 0.00 0.00 0.00 175.10 175.00 3ikz s LYS 65 N 0.96 2.71 -0.22 2.72 1.02 -0.10 -4.92 119.74 121.91 3ikz s LYS 65 Ca 0.02 -0.57 -0.04 0.00 0.02 0.00 0.00 55.97 55.40 3ikz s LYS 65 Cb -0.14 -2.55 -0.01 0.00 -0.52 0.00 0.00 37.83 34.60 3ikz s LYS 65 CO 0.02 0.66 -0.03 0.08 -0.92 0.00 0.00 175.35 175.16 3ikz s VAL 66 N -0.79 3.52 0.02 3.17 1.01 -1.26 0.37 120.40 126.44 3ikz s VAL 66 Ca 0.12 -0.44 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 3ikz s VAL 66 Cb -0.11 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 3ikz s VAL 66 CO 0.01 0.41 -0.03 -0.04 0.00 0.00 0.00 175.10 175.46 3ikz s MET 67 N 1.49 0.29 0.33 2.72 -1.94 -0.16 -4.99 119.30 117.04 3ikz s MET 67 Ca 0.06 -0.57 0.00 0.00 -1.71 0.00 0.00 55.69 53.47 3ikz s MET 67 Cb -0.14 0.10 -0.03 0.00 2.01 0.00 0.00 34.83 36.77 3ikz s MET 67 CO -0.02 -0.05 0.53 0.20 -0.01 0.00 0.00 175.02 175.68 3ikz s GLY 68 N -1.36 1.37 -0.08 -0.03 0.00 -1.26 -0.16 107.32 105.80 3ikz s GLY 68 Ca -0.15 -0.90 -0.10 0.00 0.00 0.00 0.00 44.72 43.57 3ikz s GLY 68 CO -0.01 -0.85 0.25 -0.11 0.00 0.00 0.00 173.10 172.39 3ikz s PHE 69 N -2.27 -0.23 -0.85 1.90 -0.71 -0.27 -4.83 117.98 110.72 3ikz s PHE 69 Ca 0.40 0.55 0.11 0.00 -1.04 0.00 0.00 56.93 56.94 3ikz s PHE 69 Cb -0.10 0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.75 3ikz s PHE 69 CO 0.35 -0.19 0.60 0.25 -1.34 0.00 0.00 175.22 174.89 3ikz n THR 70 N 2.56 0.00 -1.16 -4.49 -2.24 -1.26 -0.76 114.28 106.93 3ikz n THR 70 Ca -0.15 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 3ikz n THR 70 Cb 0.58 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.89 3ikz n THR 70 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ikz n GLY 71 N 1.04 3.51 3.77 3.38 0.00 -1.26 -4.88 105.19 110.75 3ikz n GLY 71 Ca 0.04 -1.81 -0.38 0.00 0.00 0.00 0.00 46.02 43.86 3ikz n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ikz s LEU 72 N 0.00 4.33 0.23 0.99 1.43 -1.26 -4.96 118.68 119.44 3ikz s LEU 72 Ca 0.00 2.11 -0.06 0.00 -1.03 0.00 0.00 54.13 55.14 3ikz s LEU 72 Cb 0.00 -3.94 0.32 0.00 0.03 0.00 0.00 46.19 42.60 3ikz s LEU 72 CO 0.00 -0.31 1.82 0.25 0.23 0.00 0.00 176.35 178.34 3ikz h LEU 73 N 3.09 0.66 -0.62 1.79 5.85 -1.99 -2.23 115.31 121.87 3ikz h LEU 73 Ca -0.47 0.03 0.13 0.00 0.84 0.00 0.00 57.88 58.41 3ikz h LEU 73 Cb 1.21 -0.10 -0.11 0.00 0.37 0.00 0.00 40.66 42.03 3ikz h LEU 73 CO 0.64 0.41 -0.08 0.50 -0.34 0.00 0.00 178.44 179.57 3ikz h LYS 74 N 0.79 0.05 -0.07 1.25 3.64 -1.96 0.15 116.57 120.42 3ikz h LYS 74 Ca 0.36 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.75 3ikz h LYS 74 Cb 0.25 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 3ikz h LYS 74 CO -0.21 0.03 -0.04 -0.44 -2.27 0.00 0.00 179.45 176.53 3ikz h ASP 75 N 0.05 -0.12 -0.62 4.20 3.32 -1.80 -1.85 116.42 119.59 3ikz h ASP 75 Ca 0.31 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.39 3ikz h ASP 75 Cb 0.49 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.08 3ikz h ASP 75 CO -0.59 -0.05 0.38 0.15 -1.72 0.00 0.00 179.24 177.41 3ikz h PHE 76 N -0.03 0.80 0.22 4.55 3.57 -0.96 -1.43 116.94 123.66 3ikz h PHE 76 Ca 0.04 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 3ikz h PHE 76 Cb 0.09 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.57 3ikz h PHE 76 CO -0.14 0.54 -0.10 0.28 -2.23 0.00 0.00 178.31 176.65 3ikz h VAL 77 N 0.84 0.81 -0.54 1.41 2.07 -0.60 -2.41 116.25 117.83 3ikz h VAL 77 Ca 0.22 -0.14 0.08 0.00 0.82 0.00 0.00 66.70 67.68 3ikz h VAL 77 Cb -0.04 0.90 -0.06 0.00 -1.52 0.00 0.00 31.29 30.56 3ikz h VAL 77 CO -0.04 0.03 0.19 0.03 0.02 0.00 0.00 177.57 177.80 3ikz h ARG 78 N -0.36 0.36 -0.53 1.57 2.47 -1.29 -1.83 114.38 114.77 3ikz h ARG 78 Ca -0.03 -0.02 0.12 0.00 -1.26 0.00 0.00 59.98 58.79 3ikz h ARG 78 Cb 0.28 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.49 3ikz h ARG 78 CO 0.05 0.24 0.37 0.00 0.56 0.00 0.00 179.97 181.18 3ikz h ALA 79 N 1.37 2.28 -0.70 0.04 0.00 -1.11 0.13 119.26 121.26 3ikz h ALA 79 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3ikz h ALA 79 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3ikz h ALA 79 CO -0.28 -0.42 0.00 0.09 0.00 0.00 0.00 179.25 178.65 3ikz n ASN 80 N -4.43 3.80 -3.78 0.00 3.02 -0.72 -4.93 115.26 108.21 3ikz n ASN 80 Ca 0.09 -2.00 -0.27 0.00 -0.03 0.00 0.00 54.58 52.38 3ikz n ASN 80 Cb 0.49 -0.47 0.04 0.00 -0.61 0.00 0.00 39.78 39.23 3ikz n ASN 80 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3ikz n ASP 81 N 1.58 -4.35 -4.79 6.41 8.00 0.03 -4.87 116.55 118.56 3ikz n ASP 81 Ca 0.24 -0.73 -0.36 0.00 0.71 0.00 0.00 54.79 54.65 3ikz n ASP 81 Cb 0.60 -4.23 -0.07 0.00 -0.02 0.00 0.00 41.12 37.39 3ikz n ASP 81 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ikz s ALA 82 N -3.38 3.68 -0.88 2.24 0.00 -0.98 -4.43 121.76 118.02 3ikz s ALA 82 Ca 0.49 -0.69 0.12 0.00 0.00 0.00 0.00 51.96 51.88 3ikz s ALA 82 Cb -0.24 -1.89 -0.06 0.00 0.00 0.00 0.00 23.12 20.93 3ikz s ALA 82 CO 0.80 0.51 0.62 0.54 0.00 0.00 0.00 175.76 178.23 3ikz n ARG 83 N 2.37 2.46 -4.63 0.00 5.12 -0.98 -4.77 116.66 116.24 3ikz n ARG 83 Ca -0.19 -0.38 -0.23 0.00 -1.93 0.00 0.00 57.85 55.12 3ikz n ARG 83 Cb 0.54 -1.11 -0.16 0.00 -1.16 0.00 0.00 32.46 30.57 3ikz n ARG 83 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3ikz s VAL 84 N -1.82 1.12 -0.23 1.55 1.01 -1.23 0.06 120.40 120.86 3ikz s VAL 84 Ca 0.08 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 3ikz s VAL 84 Cb 0.10 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 3ikz s VAL 84 CO 0.39 0.33 0.02 -0.63 0.00 0.00 0.00 175.10 175.22 3ikz s ILE 85 N 0.06 3.96 -0.05 2.22 1.01 0.06 -0.57 121.20 127.90 3ikz s ILE 85 Ca -0.02 -0.29 -0.19 0.00 0.00 0.00 0.00 60.65 60.14 3ikz s ILE 85 Cb -0.10 -2.83 -0.05 0.00 0.01 0.00 0.00 42.46 39.50 3ikz s ILE 85 CO 0.01 0.38 0.53 -0.69 0.00 0.00 0.00 174.94 175.18 3ikz s VAL 86 N 1.46 5.03 0.05 2.92 1.01 0.13 -0.42 120.40 130.59 3ikz s VAL 86 Ca 0.05 1.10 0.03 0.00 0.00 0.00 0.00 61.98 63.16 3ikz s VAL 86 Cb -0.15 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 3ikz s VAL 86 CO 0.01 0.40 -0.10 -0.13 0.00 0.00 0.00 175.10 175.28 3ikz s ARG 87 N 0.03 0.63 0.07 2.72 1.81 -0.97 -4.14 118.95 119.10 3ikz s ARG 87 Ca 0.29 -0.84 -0.17 0.00 -1.72 0.00 0.00 55.73 53.29 3ikz s ARG 87 Cb -0.17 -0.45 -0.06 0.00 -0.45 0.00 0.00 34.95 33.82 3ikz s ARG 87 CO 0.14 0.09 0.52 0.20 -0.68 0.00 0.00 175.30 175.57 3ikz s GLY 88 N -1.68 2.57 -0.05 -3.53 0.00 -1.26 -1.05 107.32 102.32 3ikz s GLY 88 Ca -0.07 -0.07 0.05 0.00 0.00 0.00 0.00 44.72 44.63 3ikz s GLY 88 CO 0.01 0.30 -0.21 1.08 0.00 0.00 0.00 173.10 174.28 3ikz s LEU 89 N -1.31 2.33 0.16 0.66 1.43 0.12 -4.85 118.68 117.20 3ikz s LEU 89 Ca 0.30 -0.39 0.10 0.00 -1.03 0.00 0.00 54.13 53.11 3ikz s LEU 89 Cb -0.18 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 3ikz s LEU 89 CO 0.18 0.29 -0.17 -0.13 0.23 0.00 0.00 176.35 176.74 3ikz s ARG 90 N -0.41 1.78 -1.19 1.70 0.52 -1.26 -4.31 118.95 115.78 3ikz s ARG 90 Ca 0.04 -1.30 -0.22 0.00 -0.52 0.00 0.00 55.73 53.73 3ikz s ARG 90 Cb -0.12 -2.05 -0.03 0.00 0.52 0.00 0.00 34.95 33.27 3ikz s ARG 90 CO 0.02 0.44 1.86 0.00 0.02 0.00 0.00 175.30 177.64 3ikz s ALA 91 N -1.44 2.26 0.00 2.13 0.00 -1.26 -5.18 121.76 118.28 3ikz s ALA 91 Ca 0.20 -2.33 0.00 0.00 0.00 0.00 0.00 51.96 49.84 3ikz s ALA 91 Cb -0.09 -4.65 0.00 0.00 0.00 0.00 0.00 23.12 18.37 3ikz s ALA 91 CO 0.11 -4.58 0.00 1.19 0.00 0.00 0.00 175.76 172.49 3ikz n PHE 95 N 12.40 0.00 0.20 0.00 3.01 -1.26 -5.14 117.46 126.67 3ikz n PHE 95 Ca 0.45 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.79 3ikz n PHE 95 Cb 0.47 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.87 3ikz n PHE 95 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 3ikz h GLU 96 N 0.00 -0.63 -0.47 -1.08 4.11 -2.03 -2.55 114.58 111.93 3ikz h GLU 96 Ca 0.00 0.04 0.08 0.00 0.07 0.00 0.00 59.36 59.56 3ikz h GLU 96 Cb 0.00 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.32 3ikz h GLU 96 CO 0.00 -0.42 0.06 -0.92 0.07 0.00 0.00 179.01 177.79 3ikz h TYR 97 N -0.66 0.08 -0.74 2.06 5.03 -2.05 -2.81 116.97 117.87 3ikz h TYR 97 Ca -0.04 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.29 3ikz h TYR 97 Cb 0.56 0.04 -0.04 0.00 1.55 0.00 0.00 36.73 38.84 3ikz h TYR 97 CO -0.16 -0.04 0.43 0.93 -1.32 0.00 0.00 178.16 178.00 3ikz h GLU 98 N 0.18 1.02 -0.10 1.82 4.39 -1.98 0.40 114.58 120.31 3ikz h GLU 98 Ca 0.23 -0.10 -0.18 0.00 0.34 0.00 0.00 59.36 59.65 3ikz h GLU 98 Cb 0.32 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 3ikz h GLU 98 CO -0.34 0.74 -0.70 0.74 -1.16 0.00 0.00 179.01 178.29 3ikz h PHE 99 N 1.02 0.61 -0.01 4.33 0.04 -1.39 -1.43 116.94 120.11 3ikz h PHE 99 Ca 0.26 -0.26 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 3ikz h PHE 99 Cb -0.01 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 38.04 3ikz h PHE 99 CO -0.01 1.02 0.00 1.96 -0.60 0.00 0.00 178.31 180.68 3ikz h GLN 100 N 0.32 0.02 -0.34 1.51 4.20 -1.17 0.30 115.11 119.95 3ikz h GLN 100 Ca -0.03 -0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.72 3ikz h GLN 100 Cb 1.27 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.02 3ikz h GLN 100 CO 0.12 0.19 0.13 1.98 -0.67 0.00 0.00 178.83 180.58 3ikz h MET 101 N -0.16 0.27 -0.47 1.46 4.05 -0.94 0.24 114.93 119.39 3ikz h MET 101 Ca 0.00 -0.02 -0.07 0.00 -0.28 0.00 0.00 59.70 59.34 3ikz h MET 101 Cb 0.18 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.90 3ikz h MET 101 CO -0.00 0.18 0.02 0.00 0.23 0.00 0.00 176.91 177.34 3ikz h ALA 102 N 1.21 0.63 -0.55 0.39 0.00 -1.09 0.73 119.26 120.57 3ikz h ALA 102 Ca 0.15 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 3ikz h ALA 102 Cb 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3ikz h ALA 102 CO -0.15 0.40 0.05 0.78 0.00 0.00 0.00 179.25 180.34 3ikz h GLY 103 N 0.66 1.01 1.51 0.00 0.00 -0.05 -0.73 103.07 105.47 3ikz h GLY 103 Ca 0.14 -0.70 -0.11 0.00 0.00 0.00 0.00 47.33 46.65 3ikz h GLY 103 CO 0.02 0.65 -0.31 -0.33 0.00 0.00 0.00 176.54 176.57 3ikz h MET 104 N 0.82 0.56 0.00 4.80 2.86 -0.37 -2.64 114.93 120.95 3ikz h MET 104 Ca 0.16 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 3ikz h MET 104 Cb 0.46 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 3ikz h MET 104 CO 0.02 0.80 -0.10 -0.91 1.06 0.00 0.00 176.91 177.78 3ikz h ASN 105 N 0.48 0.00 0.00 1.22 2.35 -0.37 -1.82 115.58 117.45 3ikz h ASN 105 Ca 0.06 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.74 3ikz h ASN 105 Cb 0.77 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 3ikz h ASN 105 CO 0.06 0.10 -0.18 0.03 -1.65 0.00 0.00 177.43 175.80 3ikz h ARG 106 N 0.00 0.33 0.24 0.81 3.08 -0.76 0.53 114.38 118.60 3ikz h ARG 106 Ca -0.00 -0.09 -0.31 0.00 0.07 0.00 0.00 59.98 59.64 3ikz h ARG 106 Cb 0.48 -0.03 0.04 0.00 0.08 0.00 0.00 29.97 30.53 3ikz h ARG 106 CO 0.01 0.50 -1.37 1.88 -1.07 0.00 0.00 179.97 179.93 3ikz h TYR 107 N 0.30 0.90 -0.02 3.04 0.99 -1.43 -3.29 116.97 117.46 3ikz h TYR 107 Ca 0.06 -0.66 -0.19 0.00 2.00 0.00 0.00 58.73 59.93 3ikz h TYR 107 Cb 0.50 -0.04 -0.01 0.00 1.00 0.00 0.00 36.73 38.18 3ikz h TYR 107 CO 0.01 1.52 -0.83 -0.07 -0.00 0.00 0.00 178.16 178.80 3ikz h LEU 108 N 0.05 0.34 -6.48 3.88 3.38 -1.24 -3.39 115.31 111.86 3ikz h LEU 108 Ca -0.24 -0.26 -0.59 0.00 0.09 0.00 0.00 57.88 56.88 3ikz h LEU 108 Cb 2.08 -0.10 -0.40 0.00 0.09 0.00 0.00 40.66 42.33 3ikz h LEU 108 CO 0.25 1.03 -0.86 0.18 0.09 0.00 0.00 178.44 179.13 3ikz n LEU 109 N -3.73 0.93 0.16 1.67 4.77 0.19 -5.02 117.00 115.96 3ikz n LEU 109 Ca -0.04 -4.74 0.01 0.00 -0.03 0.00 0.00 56.01 51.20 3ikz n LEU 109 Cb 0.77 0.11 0.29 0.00 -2.33 0.00 0.00 43.42 42.25 3ikz n LEU 109 CO 0.48 1.88 0.65 -0.65 -1.33 0.00 0.00 177.39 178.43 3ikz h PRO 110 N 5.18 0.04 -0.38 3.23 0.11 -1.73 -1.87 132.00 136.58 3ikz h PRO 110 Ca 0.20 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3ikz h PRO 110 Cb 0.84 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3ikz h PRO 110 CO 0.52 0.48 0.00 -0.40 -0.21 0.00 0.00 178.00 178.38 3ikz n ASP 111 N -4.01 2.34 -4.80 -2.05 5.75 -1.26 -4.88 116.55 107.63 3ikz n ASP 111 Ca -0.02 -1.93 -0.37 0.00 -0.01 0.00 0.00 54.79 52.47 3ikz n ASP 111 Cb 0.47 -0.25 -0.07 0.00 -1.03 0.00 0.00 41.12 40.25 3ikz n ASP 111 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3ikz s VAL 112 N -1.50 5.31 -0.22 2.12 1.01 -0.70 -4.91 120.40 121.51 3ikz s VAL 112 Ca 0.32 0.48 -0.10 0.00 0.00 0.00 0.00 61.98 62.68 3ikz s VAL 112 Cb 0.17 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 3ikz s VAL 112 CO 0.23 0.51 0.13 -1.61 0.00 0.00 0.00 175.10 174.36 3ikz s GLU 113 N -0.39 4.06 -0.10 2.72 0.41 0.11 -4.89 118.70 120.63 3ikz s GLU 113 Ca 0.17 -0.28 -0.28 0.00 -0.41 0.00 0.00 54.97 54.17 3ikz s GLU 113 Cb -0.13 -3.44 -0.02 0.00 -1.78 0.00 0.00 34.13 28.76 3ikz s GLU 113 CO 0.06 0.15 0.94 0.99 -0.49 0.00 0.00 175.26 176.90 3ikz s THR 114 N 0.79 4.84 -0.17 3.63 2.01 -1.26 -0.76 115.64 124.72 3ikz s THR 114 Ca 0.07 1.91 0.01 0.00 0.31 0.00 0.00 61.69 63.98 3ikz s THR 114 Cb -0.13 -4.25 0.02 0.00 0.01 0.00 0.00 72.50 68.15 3ikz s THR 114 CO 0.02 0.06 -0.18 -0.04 -0.69 0.00 0.00 174.62 173.79 3ikz s MET 115 N 1.76 2.76 -0.08 4.92 -1.94 0.44 -4.94 119.30 122.23 3ikz s MET 115 Ca 0.46 -0.74 -0.17 0.00 -1.71 0.00 0.00 55.69 53.53 3ikz s MET 115 Cb -0.18 -2.41 -0.05 0.00 2.01 0.00 0.00 34.83 34.20 3ikz s MET 115 CO 0.18 -0.21 0.44 -0.06 -0.01 0.00 0.00 175.02 175.36 3ikz s PHE 116 N 1.34 3.58 0.22 -0.03 0.08 -1.26 -2.28 117.98 119.64 3ikz s PHE 116 Ca 0.05 0.90 0.09 0.00 0.12 0.00 0.00 56.93 58.09 3ikz s PHE 116 Cb -0.13 -2.45 -0.05 0.00 -0.57 0.00 0.00 43.02 39.83 3ikz s PHE 116 CO -0.12 0.34 -0.16 -1.64 -0.10 0.00 0.00 175.22 173.53 3ikz s MET 117 N 0.02 1.40 -0.08 0.44 -1.94 -0.21 -4.93 119.30 114.01 3ikz s MET 117 Ca 0.24 -1.61 0.03 0.00 -1.71 0.00 0.00 55.69 52.64 3ikz s MET 117 Cb -0.15 -1.30 0.01 0.00 2.01 0.00 0.00 34.83 35.40 3ikz s MET 117 CO 0.11 0.23 -0.16 -0.08 -0.01 0.00 0.00 175.02 175.10 3ikz s THR 118 N -2.75 1.45 0.94 2.05 -1.32 -1.26 0.12 115.64 114.86 3ikz s THR 118 Ca 0.23 -0.66 -0.12 0.00 -1.21 0.00 0.00 61.69 59.93 3ikz s THR 118 Cb -0.02 -1.29 0.15 0.00 -1.51 0.00 0.00 72.50 69.83 3ikz s THR 118 CO 0.09 0.43 1.09 -2.16 -2.21 0.00 0.00 174.62 171.86 3ikz s PRO 119 N 0.55 0.93 0.91 7.08 0.04 -1.26 -4.99 135.00 138.26 3ikz s PRO 119 Ca -0.16 0.67 -0.13 0.00 0.04 0.00 0.00 61.00 61.42 3ikz s PRO 119 Cb -0.17 -1.78 0.05 0.00 0.04 0.00 0.00 34.50 32.64 3ikz s PRO 119 CO 0.06 -2.43 0.57 0.43 0.04 0.00 0.00 177.00 175.67 3ikz n SER 120 N -3.99 -1.46 -0.24 6.66 7.64 -1.26 -4.78 113.62 116.20 3ikz n SER 120 Ca 0.06 0.39 0.04 0.00 1.01 0.00 0.00 58.87 60.37 3ikz n SER 120 Cb 0.56 -1.27 0.17 0.00 -1.01 0.00 0.00 64.21 62.66 3ikz n SER 120 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3ikz h ASP 121 N -1.45 0.11 0.54 6.43 3.32 -2.02 -2.15 116.42 121.21 3ikz h ASP 121 Ca -0.44 0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.74 3ikz h ASP 121 Cb 1.29 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.98 3ikz h ASP 121 CO 0.37 0.02 0.00 0.00 -1.72 0.00 0.00 179.24 177.91 3ikz n GLN 122 N -5.09 0.01 0.00 3.56 0.00 -1.26 -2.07 117.38 112.53 3ikz n GLN 122 Ca 0.13 0.25 0.06 0.00 0.00 0.00 0.00 57.00 57.44 3ikz n GLN 122 Cb 0.41 -1.52 0.05 0.00 0.00 0.00 0.00 30.24 29.17 3ikz n GLN 122 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3ikz n TYR 123 N -1.55 0.00 0.25 2.61 4.01 -0.81 -4.68 117.16 116.99 3ikz n TYR 123 Ca 0.04 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.94 3ikz n TYR 123 Cb 0.18 0.00 0.87 0.00 -0.31 0.00 0.00 39.34 40.08 3ikz n TYR 123 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 3ikz h GLN 124 N 2.33 0.00 -0.01 -0.72 1.08 -1.36 -3.14 115.11 113.28 3ikz h GLN 124 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3ikz h GLN 124 Cb 0.51 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 3ikz h GLN 124 CO 0.00 0.00 -0.01 1.19 -0.95 0.00 0.00 178.83 179.06 3ikz n PHE 125 N -3.84 0.00 -1.87 2.96 3.01 -1.26 -4.75 117.46 111.71 3ikz n PHE 125 Ca -0.01 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.03 3ikz n PHE 125 Cb 0.20 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.65 3ikz n PHE 125 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3ikz s ILE 126 N -0.87 3.36 -0.16 4.37 1.01 -1.19 -5.01 121.20 122.71 3ikz s ILE 126 Ca 0.11 0.43 -0.04 0.00 0.00 0.00 0.00 60.65 61.15 3ikz s ILE 126 Cb 0.08 -3.29 -0.03 0.00 0.01 0.00 0.00 42.46 39.24 3ikz s ILE 126 CO 0.13 -0.05 -0.03 -0.55 0.00 0.00 0.00 174.94 174.44 3ikz s SER 127 N 3.99 4.88 0.22 3.58 0.15 -1.26 -5.03 113.70 120.23 3ikz s SER 127 Ca 0.80 -0.11 -0.09 0.00 0.70 0.00 0.00 55.95 57.25 3ikz s SER 127 Cb -0.36 -1.80 0.18 0.00 -1.71 0.00 0.00 66.02 62.33 3ikz s SER 127 CO 0.34 0.17 1.87 1.23 1.20 0.00 0.00 173.24 178.05 3ikz h GLY 128 N 6.72 1.19 0.99 9.45 0.00 -1.95 -0.30 103.07 119.16 3ikz h GLY 128 Ca -0.32 -0.48 0.01 0.00 0.00 0.00 0.00 47.33 46.53 3ikz h GLY 128 CO 0.64 0.47 0.26 -0.84 0.00 0.00 0.00 176.54 177.07 3ikz h THR 129 N 1.13 1.10 -0.54 4.70 2.02 -1.96 -0.79 112.91 118.57 3ikz h THR 129 Ca 0.30 -0.18 -0.12 0.00 0.77 0.00 0.00 66.41 67.18 3ikz h THR 129 Cb -0.06 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 3ikz h THR 129 CO -0.06 0.10 -0.12 0.40 0.37 0.00 0.00 175.52 176.21 3ikz h ILE 130 N 0.53 1.27 -0.36 3.11 2.04 -1.90 -1.04 117.51 121.16 3ikz h ILE 130 Ca 0.15 -1.28 0.07 0.00 1.00 0.00 0.00 64.86 64.80 3ikz h ILE 130 Cb -0.05 0.97 -0.06 0.00 -0.74 0.00 0.00 36.82 36.93 3ikz h ILE 130 CO -0.04 0.45 -0.02 0.58 0.00 0.00 0.00 178.15 179.12 3ikz h VAL 131 N 0.91 0.70 -0.46 1.67 2.07 -0.73 -0.12 116.25 120.29 3ikz h VAL 131 Ca 0.14 -0.02 -0.09 0.00 0.82 0.00 0.00 66.70 67.55 3ikz h VAL 131 Cb 0.69 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3ikz h VAL 131 CO 0.05 0.01 -0.05 0.03 0.02 0.00 0.00 177.57 177.64 3ikz h ARG 132 N 0.07 0.85 -0.20 1.57 3.08 -0.94 -1.11 114.38 117.71 3ikz h ARG 132 Ca 0.18 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 3ikz h ARG 132 Cb 0.25 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3ikz h ARG 132 CO -0.32 0.92 0.12 1.49 -1.07 0.00 0.00 179.97 181.11 3ikz h GLU 133 N 0.70 0.28 -0.36 0.04 4.81 -0.93 0.10 114.58 119.22 3ikz h GLU 133 Ca 0.13 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3ikz h GLU 133 Cb 0.57 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 3ikz h GLU 133 CO 0.03 0.25 0.18 0.82 -0.73 0.00 0.00 179.01 179.55 3ikz h ILE 134 N 0.23 1.16 -0.79 2.32 2.04 -0.88 -1.75 117.51 119.85 3ikz h ILE 134 Ca 0.07 -0.45 -0.05 0.00 1.00 0.00 0.00 64.86 65.43 3ikz h ILE 134 Cb 0.04 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 3ikz h ILE 134 CO -0.01 0.17 0.30 0.00 0.00 0.00 0.00 178.15 178.61 3ikz h ALA 135 N 1.03 1.03 0.00 1.87 0.00 -0.94 0.13 119.26 122.37 3ikz h ALA 135 Ca 0.12 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3ikz h ALA 135 Cb 0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3ikz h ALA 135 CO -0.02 0.66 -0.20 1.96 0.00 0.00 0.00 179.25 181.66 3ikz h GLN 136 N 1.15 0.00 -0.22 0.00 4.20 -0.48 -1.49 115.11 118.27 3ikz h GLN 136 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 3ikz h GLN 136 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 3ikz h GLN 136 CO -0.02 0.20 0.00 1.28 -0.67 0.00 0.00 178.83 179.62 3ikz n LEU 137 N -3.56 1.76 0.00 1.46 4.77 -0.68 -4.92 117.00 115.82 3ikz n LEU 137 Ca -0.01 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 3ikz n LEU 137 Cb 0.34 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3ikz n LEU 137 CO 0.32 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 3ikz n GLY 138 N 1.12 0.59 3.86 -0.72 0.00 -0.56 -5.05 105.19 104.42 3ikz n GLY 138 Ca 0.15 -0.57 -0.37 0.00 0.00 0.00 0.00 46.02 45.23 3ikz n GLY 138 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ikz s GLY 139 N -2.52 2.35 0.20 -0.02 0.00 0.40 -5.00 107.32 102.72 3ikz s GLY 139 Ca 0.00 -0.40 -0.30 0.00 0.00 0.00 0.00 44.72 44.02 3ikz s GLY 139 CO 0.00 -0.11 1.11 -0.35 0.00 0.00 0.00 173.10 173.76 3ikz s ASP 140 N -1.27 7.24 -0.21 1.64 2.15 -1.26 -3.69 116.67 121.27 3ikz s ASP 140 Ca 0.24 2.14 0.13 0.00 0.43 0.00 0.00 52.55 55.49 3ikz s ASP 140 Cb -0.15 -2.61 0.42 0.00 -0.30 0.00 0.00 42.92 40.29 3ikz s ASP 140 CO 0.12 -0.23 1.29 1.33 -0.17 0.00 0.00 175.17 177.51 3ikz n VAL 141 N 2.18 2.23 0.28 1.11 0.24 -1.26 -4.77 118.33 118.34 3ikz n VAL 141 Ca 0.02 -2.73 0.17 0.00 -2.04 0.00 0.00 64.34 59.76 3ikz n VAL 141 Cb 0.46 -0.26 0.83 0.00 -1.47 0.00 0.00 33.84 33.40 3ikz n VAL 141 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3ikz h SER 142 N 0.84 0.00 1.19 -1.34 4.64 -1.93 0.13 113.55 117.08 3ikz h SER 142 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3ikz h SER 142 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3ikz h SER 142 CO 0.12 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.19 3ikz h LYS 143 N 0.00 0.00 0.00 4.77 1.79 -1.99 -3.34 116.57 117.80 3ikz h LYS 143 Ca 0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3ikz h LYS 143 Cb 0.15 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.80 3ikz h LYS 143 CO 0.00 0.00 -1.35 1.19 -1.08 0.00 0.00 179.45 178.21 3ikz n PHE 144 N -3.05 0.00 -4.08 -1.35 0.99 0.40 -4.96 117.46 105.41 3ikz n PHE 144 Ca 0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.37 3ikz n PHE 144 Cb 0.34 -0.18 -0.10 0.00 -1.00 0.00 0.00 39.48 38.54 3ikz n PHE 144 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.76 176.90 3ikz s VAL 145 N -2.51 0.33 0.75 -4.37 -7.23 -0.82 -0.85 120.40 105.71 3ikz s VAL 145 Ca -0.03 -1.53 -0.12 0.00 -1.81 0.00 0.00 61.98 58.49 3ikz s VAL 145 Cb 0.05 -1.14 0.05 0.00 0.56 0.00 0.00 36.38 35.89 3ikz s VAL 145 CO 0.31 -0.78 1.11 -0.36 -0.31 0.00 0.00 175.10 175.07 3ikz s PHE 146 N -2.97 2.45 0.36 2.82 0.08 -1.26 -4.46 117.98 115.00 3ikz s PHE 146 Ca 0.00 1.58 0.13 0.00 0.12 0.00 0.00 56.93 58.77 3ikz s PHE 146 Cb 0.01 -3.15 0.96 0.00 -0.57 0.00 0.00 43.02 40.28 3ikz s PHE 146 CO -0.06 -1.93 1.77 -1.35 -0.10 0.00 0.00 175.22 173.56 3ikz h PRO 147 N -0.80 0.51 -0.51 0.24 0.11 -1.98 -0.95 132.00 128.63 3ikz h PRO 147 Ca -0.45 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 3ikz h PRO 147 Cb 1.24 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3ikz h PRO 147 CO 0.51 0.34 0.09 0.66 -0.21 0.00 0.00 178.00 179.39 3ikz h SER 148 N 0.53 0.74 -0.27 -2.05 4.64 -1.99 -2.33 113.55 112.81 3ikz h SER 148 Ca 0.59 -0.14 -0.18 0.00 -0.47 0.00 0.00 61.79 61.59 3ikz h SER 148 Cb 1.25 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3ikz h SER 148 CO -0.34 0.75 -0.51 0.58 -0.87 0.00 0.00 176.83 176.44 3ikz h VAL 149 N 0.75 1.28 -0.84 0.95 2.07 -1.55 -2.87 116.25 116.04 3ikz h VAL 149 Ca 0.16 -1.70 0.06 0.00 0.82 0.00 0.00 66.70 66.04 3ikz h VAL 149 Cb 0.33 1.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 3ikz h VAL 149 CO 0.00 0.56 0.55 -0.08 0.02 0.00 0.00 177.57 178.61 3ikz h GLU 150 N 0.67 0.92 0.04 1.57 4.57 -1.02 -0.22 114.58 121.11 3ikz h GLU 150 Ca 0.02 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3ikz h GLU 150 Cb 1.11 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.49 3ikz h GLU 150 CO 0.11 0.61 -0.02 0.87 -1.18 0.00 0.00 179.01 179.40 3ikz h LYS 151 N 0.95 -0.05 -0.56 1.92 6.56 -1.29 -0.39 116.57 123.71 3ikz h LYS 151 Ca 0.35 0.00 0.06 0.00 -1.06 0.00 0.00 60.65 60.01 3ikz h LYS 151 Cb 0.18 0.01 -0.05 0.00 -0.57 0.00 0.00 32.23 31.80 3ikz h LYS 151 CO -0.12 0.05 0.26 -1.49 -2.06 0.00 0.00 179.45 176.09 3ikz h TRP 152 N -0.14 0.48 -0.37 -1.35 4.06 -1.23 -1.18 115.95 116.22 3ikz h TRP 152 Ca -0.01 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.97 3ikz h TRP 152 Cb 0.13 -0.13 -0.02 0.00 -1.00 0.00 0.00 29.16 28.14 3ikz h TRP 152 CO -0.05 0.21 0.24 -0.07 -3.56 0.00 0.00 178.44 175.21 3ikz h LEU 153 N 0.50 0.43 -0.66 -4.49 3.38 -0.83 -1.39 115.31 112.25 3ikz h LEU 153 Ca 0.26 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3ikz h LEU 153 Cb 0.21 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3ikz h LEU 153 CO -0.20 0.33 0.36 0.74 0.09 0.00 0.00 178.44 179.76 3ikz h THR 154 N 0.50 1.21 0.03 0.22 2.02 -0.73 -0.16 112.91 116.00 3ikz h THR 154 Ca 0.13 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 3ikz h THR 154 Cb -0.04 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 3ikz h THR 154 CO -0.03 0.23 -0.02 -0.33 0.37 0.00 0.00 175.52 175.74 3ikz h GLU 155 N 0.90 -0.04 -0.62 6.66 3.07 -1.04 -0.62 114.58 122.89 3ikz h GLU 155 Ca 0.23 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 59.00 3ikz h GLU 155 Cb 0.04 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 3ikz h GLU 155 CO -0.04 0.12 0.02 -0.22 -1.40 0.00 0.00 179.01 177.50 3ikz h LYS 156 N -0.20 1.08 -0.36 2.33 3.64 -1.10 0.67 116.57 122.64 3ikz h LYS 156 Ca -0.00 -0.33 -0.02 0.00 -1.27 0.00 0.00 60.65 59.02 3ikz h LYS 156 Cb 0.19 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 3ikz h LYS 156 CO 0.01 1.04 0.15 0.28 -2.27 0.00 0.00 179.45 178.66 3ikz h VAL 157 N 0.99 1.18 -0.88 2.00 2.07 -0.95 0.12 116.25 120.78 3ikz h VAL 157 Ca 0.18 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 3ikz h VAL 157 Cb 0.54 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 3ikz h VAL 157 CO 0.03 0.19 0.54 0.00 0.02 0.00 0.00 177.57 178.35 3ikz h ALA 158 N 1.00 1.30 0.00 1.67 0.00 -0.91 -2.21 119.26 120.11 3ikz h ALA 158 Ca 0.12 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3ikz h ALA 158 Cb 0.16 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3ikz h ALA 158 CO -0.01 0.61 -0.34 0.00 0.00 0.00 0.00 179.25 179.51 3ikz h ALA 159 N 1.39 0.88 0.04 0.00 0.00 -0.48 -3.23 119.26 117.86 3ikz h ALA 159 Ca 0.32 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ikz h ALA 159 Cb -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3ikz h ALA 159 CO -0.06 0.43 -0.02 1.98 0.00 0.00 0.00 179.25 181.58 3ikz h MET 160 N 0.00 -0.05 0.00 0.00 4.05 -0.19 -3.51 114.93 115.23 3ikz h MET 160 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3ikz h MET 160 Cb 1.03 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.84 3ikz h MET 160 CO 0.04 0.40 0.00 0.00 0.23 0.00 0.00 176.91 177.58