#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m4i s HIS 2 N 0.00 1.44 -0.31 3.17 0.00 -1.26 -4.94 115.29 113.38 1m4i s HIS 2 Ca 0.00 0.27 0.25 0.00 -3.00 0.00 0.00 55.06 52.58 1m4i s HIS 2 Cb 0.00 -4.19 1.12 0.00 -4.00 0.00 0.00 32.58 25.51 1m4i s HIS 2 CO 0.00 -2.76 1.75 1.79 -1.00 0.00 0.00 174.74 174.52 1m4i h THR 3 N -1.72 0.00 -0.38 -5.38 1.35 -2.09 -3.46 112.91 101.24 1m4i h THR 3 Ca -0.44 -0.20 -0.16 0.00 -0.55 0.00 0.00 66.41 65.06 1m4i h THR 3 Cb 1.22 0.91 -0.07 0.00 -1.73 0.00 0.00 68.15 68.49 1m4i h THR 3 CO 0.35 0.00 -0.15 0.00 -0.25 0.00 0.00 175.52 175.47 1m4i n GLN 4 N -2.36 -0.61 -1.78 4.72 1.13 -1.26 -4.94 117.38 112.28 1m4i n GLN 4 Ca 0.01 0.77 -0.42 0.00 -1.94 0.00 0.00 57.00 55.41 1m4i n GLN 4 Cb 0.19 -4.61 -0.03 0.00 0.11 0.00 0.00 30.24 25.89 1m4i n GLN 4 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1m4i s VAL 5 N -2.28 2.61 -0.19 5.09 0.11 -1.26 -1.81 120.40 122.67 1m4i s VAL 5 Ca 0.00 0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.22 1m4i s VAL 5 Cb 0.00 -3.11 0.00 0.00 -1.53 0.00 0.00 36.38 31.74 1m4i s VAL 5 CO 0.00 0.00 0.00 1.41 -3.33 0.00 0.00 175.10 173.18 1m4i n HIS 6 N 5.43 0.00 -2.65 1.54 8.25 -1.26 -4.99 115.22 121.55 1m4i n HIS 6 Ca 0.17 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.21 1m4i n HIS 6 Cb 0.38 -1.51 -0.04 0.00 1.12 0.00 0.00 29.99 29.95 1m4i n HIS 6 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1m4i s THR 7 N -1.47 4.51 0.32 1.59 2.01 -0.75 -4.92 115.64 116.93 1m4i s THR 7 Ca 0.00 1.92 -0.29 0.00 0.31 0.00 0.00 61.69 63.63 1m4i s THR 7 Cb 0.00 -4.23 -0.10 0.00 0.01 0.00 0.00 72.50 68.18 1m4i s THR 7 CO 0.00 0.21 1.23 0.00 -0.69 0.00 0.00 174.62 175.37 1m4i s ALA 8 N 0.58 3.45 -0.11 7.40 0.00 -1.26 -4.79 121.76 127.03 1m4i s ALA 8 Ca 0.51 1.12 -0.02 0.00 0.00 0.00 0.00 51.96 53.57 1m4i s ALA 8 Cb -0.24 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.43 1m4i s ALA 8 CO 0.30 -0.46 -0.04 1.03 0.00 0.00 0.00 175.76 176.58 1m4i s ARG 9 N -1.70 3.18 -0.24 0.00 0.52 0.32 -4.83 118.95 116.20 1m4i s ARG 9 Ca 0.48 -0.50 -0.14 0.00 -0.52 0.00 0.00 55.73 55.05 1m4i s ARG 9 Cb -0.36 -2.77 -0.04 0.00 0.52 0.00 0.00 34.95 32.29 1m4i s ARG 9 CO 0.48 0.51 0.30 -0.51 0.02 0.00 0.00 175.30 176.10 1m4i s LEU 10 N -0.37 4.10 -0.06 2.53 1.43 -1.26 -0.48 118.68 124.57 1m4i s LEU 10 Ca 0.06 0.29 -0.00 0.00 -1.03 0.00 0.00 54.13 53.45 1m4i s LEU 10 Cb -0.12 -2.34 0.02 0.00 0.03 0.00 0.00 46.19 43.78 1m4i s LEU 10 CO 0.02 -0.06 -0.03 -0.69 0.23 0.00 0.00 176.35 175.82 1m4i s VAL 11 N 1.49 0.51 0.53 -1.59 1.01 0.02 -4.94 120.40 117.44 1m4i s VAL 11 Ca 0.14 -0.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.88 1m4i s VAL 11 Cb -0.15 -0.59 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 1m4i s VAL 11 CO 0.08 0.25 1.23 -2.28 0.00 0.00 0.00 175.10 174.38 1m4i s HIS 12 N 1.43 2.53 0.28 5.22 2.46 -1.26 -0.52 115.29 125.43 1m4i s HIS 12 Ca -0.03 1.48 0.01 0.00 0.47 0.00 0.00 55.06 56.99 1m4i s HIS 12 Cb -0.13 -3.53 0.65 0.00 -0.13 0.00 0.00 32.58 29.44 1m4i s HIS 12 CO -0.03 -2.14 1.68 1.15 -2.47 0.00 0.00 174.74 172.92 1m4i h THR 13 N 1.37 0.43 0.00 0.89 2.02 -1.48 0.14 112.91 116.28 1m4i h THR 13 Ca -0.50 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1m4i h THR 13 Cb 1.28 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1m4i h THR 13 CO 0.57 0.06 0.00 0.00 0.37 0.00 0.00 175.52 176.52 1m4i n ALA 14 N -2.61 1.49 -0.43 6.16 0.00 -1.26 -1.82 120.51 122.04 1m4i n ALA 14 Ca 0.20 0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.81 1m4i n ALA 14 Cb 0.61 -1.32 0.31 0.00 0.00 0.00 0.00 19.45 19.04 1m4i n ALA 14 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1m4i n ASP 15 N -2.06 4.04 -4.70 0.00 8.00 0.49 -4.93 116.55 117.39 1m4i n ASP 15 Ca 0.01 -2.16 -0.41 0.00 0.71 0.00 0.00 54.79 52.94 1m4i n ASP 15 Cb 0.16 -0.48 -0.04 0.00 -0.02 0.00 0.00 41.12 40.75 1m4i n ASP 15 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1m4i s LEU 16 N -1.30 4.27 0.73 0.64 1.43 -0.75 -4.93 118.68 118.77 1m4i s LEU 16 Ca 0.46 1.33 -0.12 0.00 -1.03 0.00 0.00 54.13 54.76 1m4i s LEU 16 Cb 0.26 -3.30 0.04 0.00 0.03 0.00 0.00 46.19 43.22 1m4i s LEU 16 CO 0.27 -0.28 1.09 1.51 0.23 0.00 0.00 176.35 179.17 1m4i s ASP 17 N 1.00 4.77 0.41 2.29 1.47 -1.26 -4.76 116.67 120.58 1m4i s ASP 17 Ca 0.42 1.86 0.09 0.00 1.18 0.00 0.00 52.55 56.09 1m4i s ASP 17 Cb -0.18 -2.53 0.88 0.00 -0.34 0.00 0.00 42.92 40.75 1m4i s ASP 17 CO 0.18 -1.86 2.02 0.77 0.68 0.00 0.00 175.17 176.96 1m4i h SER 18 N -0.74 0.48 -0.27 2.11 4.64 -1.99 -0.23 113.55 117.55 1m4i h SER 18 Ca -0.44 -0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.81 1m4i h SER 18 Cb 1.23 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1m4i h SER 18 CO 0.53 0.33 -0.06 -0.08 -0.87 0.00 0.00 176.83 176.68 1m4i h GLU 19 N 0.56 0.52 -0.43 4.77 4.57 -1.99 -1.35 114.58 121.23 1m4i h GLU 19 Ca 0.22 -0.19 -0.08 0.00 -1.18 0.00 0.00 59.36 58.12 1m4i h GLU 19 Cb 0.16 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1m4i h GLU 19 CO -0.06 0.72 -0.05 1.15 -1.18 0.00 0.00 179.01 179.59 1m4i h THR 20 N 0.28 1.27 -0.66 0.32 2.02 -1.76 -0.87 112.91 113.51 1m4i h THR 20 Ca 0.07 -1.13 0.04 0.00 0.77 0.00 0.00 66.41 66.17 1m4i h THR 20 Cb 0.53 1.14 -0.05 0.00 -1.74 0.00 0.00 68.15 68.03 1m4i h THR 20 CO 0.03 0.38 0.39 -0.09 0.37 0.00 0.00 175.52 176.60 1m4i h ARG 21 N 0.62 0.73 -0.54 6.66 2.43 -0.97 0.09 114.38 123.40 1m4i h ARG 21 Ca 0.11 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 1m4i h ARG 21 Cb 0.57 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1m4i h ARG 21 CO 0.03 0.48 -0.01 1.96 -1.51 0.00 0.00 179.97 180.92 1m4i h GLN 22 N 0.75 0.93 -0.40 0.20 4.20 -1.08 -1.07 115.11 118.64 1m4i h GLN 22 Ca 0.28 -0.28 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 1m4i h GLN 22 Cb 0.09 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1m4i h GLN 22 CO -0.14 0.93 0.12 0.22 -0.67 0.00 0.00 178.83 179.29 1m4i h ASP 23 N 0.86 0.58 -0.39 1.46 3.58 -0.68 -1.09 116.42 120.75 1m4i h ASP 23 Ca 0.16 -0.21 0.03 0.00 0.42 0.00 0.00 57.03 57.42 1m4i h ASP 23 Cb 0.52 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.39 1m4i h ASP 23 CO 0.03 0.64 0.20 0.40 -2.88 0.00 0.00 179.24 177.63 1m4i h ILE 24 N 0.50 0.99 -0.81 2.25 2.04 -0.80 0.14 117.51 121.82 1m4i h ILE 24 Ca 0.13 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1m4i h ILE 24 Cb 0.27 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 1m4i h ILE 24 CO -0.00 0.08 0.40 -0.09 0.00 0.00 0.00 178.15 178.53 1m4i h ARG 25 N 0.41 1.15 0.03 2.37 2.43 -0.94 0.98 114.38 120.82 1m4i h ARG 25 Ca 0.16 -0.16 -0.24 0.00 -0.81 0.00 0.00 59.98 58.93 1m4i h ARG 25 Cb 0.05 -0.21 0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1m4i h ARG 25 CO -0.10 0.88 -1.01 -0.56 -1.51 0.00 0.00 179.97 177.66 1m4i h GLN 26 N 1.15 0.43 -0.08 0.20 -0.00 -0.99 -1.48 115.11 114.33 1m4i h GLN 26 Ca 0.28 -0.50 -0.01 0.00 -0.00 0.00 0.00 58.65 58.42 1m4i h GLN 26 Cb 0.10 0.15 -0.00 0.00 -0.00 0.00 0.00 27.48 27.73 1m4i h GLN 26 CO -0.04 1.16 0.02 1.98 -0.00 0.00 0.00 178.83 181.95 1m4i h MET 27 N 0.23 0.14 -0.53 0.06 4.05 -0.60 -0.45 114.93 117.82 1m4i h MET 27 Ca -0.10 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.23 1m4i h MET 27 Cb 1.67 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 32.43 1m4i h MET 27 CO 0.18 0.34 0.13 0.28 0.23 0.00 0.00 176.91 178.07 1m4i h VAL 28 N -0.09 1.24 -0.65 -5.77 2.07 -0.83 0.32 116.25 112.54 1m4i h VAL 28 Ca 0.03 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 1m4i h VAL 28 Cb 0.27 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1m4i h VAL 28 CO 0.00 0.32 0.36 0.74 0.02 0.00 0.00 177.57 179.00 1m4i h THR 29 N 0.75 1.21 0.00 2.57 2.02 -1.20 -2.09 112.91 116.17 1m4i h THR 29 Ca 0.17 -0.52 -0.06 0.00 0.77 0.00 0.00 66.41 66.76 1m4i h THR 29 Cb 0.34 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1m4i h THR 29 CO 0.00 0.23 -0.29 1.23 0.37 0.00 0.00 175.52 177.05 1m4i h GLY 30 N 0.89 0.00 2.00 2.16 0.00 -0.78 -3.00 103.07 104.34 1m4i h GLY 30 Ca 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.56 1m4i h GLY 30 CO -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.49 1m4i h ALA 31 N 1.71 1.00 -0.54 3.60 0.00 -0.23 -2.91 119.26 121.89 1m4i h ALA 31 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1m4i h ALA 31 Cb 0.80 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1m4i h ALA 31 CO 0.04 0.02 0.00 1.19 0.00 0.00 0.00 179.25 180.50 1m4i n PHE 32 N -3.11 0.72 -3.98 0.00 3.72 -1.10 -5.00 117.46 108.71 1m4i n PHE 32 Ca 0.01 -0.36 -0.41 0.00 -0.05 0.00 0.00 57.45 56.64 1m4i n PHE 32 Cb 0.33 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.88 1m4i n PHE 32 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1m4i n ALA 33 N 1.11 -2.54 -0.98 4.37 0.00 -1.10 -1.84 120.51 119.53 1m4i n ALA 33 Ca 0.18 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1m4i n ALA 33 Cb 0.47 -2.91 0.00 0.00 0.00 0.00 0.00 19.45 17.00 1m4i n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m4i n GLY 34 N -2.01 0.83 0.91 0.00 0.00 -1.26 -4.90 105.19 98.76 1m4i n GLY 34 Ca -0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.98 1m4i n GLY 34 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1m4i n ASP 35 N 0.00 3.88 -4.05 1.61 2.03 -0.77 -4.90 116.55 114.36 1m4i n ASP 35 Ca 0.00 -2.94 -0.32 0.00 0.52 0.00 0.00 54.79 52.05 1m4i n ASP 35 Cb 0.00 -0.53 -0.15 0.00 -0.72 0.00 0.00 41.12 39.72 1m4i n ASP 35 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1m4i s PHE 36 N -2.69 3.19 0.68 -0.67 5.36 -1.26 -5.06 117.98 117.53 1m4i s PHE 36 Ca 0.41 -2.30 -0.02 0.00 -0.96 0.00 0.00 56.93 54.06 1m4i s PHE 36 Cb 0.33 -1.95 0.09 0.00 -0.34 0.00 0.00 43.02 41.14 1m4i s PHE 36 CO 0.10 -0.87 0.95 0.95 -1.46 0.00 0.00 175.22 174.88 1m4i s THR 37 N 1.12 2.32 0.40 0.12 -4.23 -1.26 -4.91 115.64 109.20 1m4i s THR 37 Ca -0.07 -0.52 0.24 0.00 -1.18 0.00 0.00 61.69 60.17 1m4i s THR 37 Cb -0.20 -2.80 0.26 0.00 1.34 0.00 0.00 72.50 71.10 1m4i s THR 37 CO -0.05 0.00 2.03 1.05 -0.54 0.00 0.00 174.62 177.10 1m4i h GLU 38 N -0.43 0.00 -0.05 3.99 4.11 -1.99 -0.89 114.58 119.33 1m4i h GLU 38 Ca -0.40 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 58.82 1m4i h GLU 38 Cb 1.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 1m4i h GLU 38 CO 0.48 0.15 -0.82 1.15 0.07 0.00 0.00 179.01 180.04 1m4i h THR 39 N 0.00 1.38 -0.65 -1.06 2.02 -1.97 -1.96 112.91 110.67 1m4i h THR 39 Ca -0.00 -2.27 -0.03 0.00 0.77 0.00 0.00 66.41 64.88 1m4i h THR 39 Cb 0.39 2.24 -0.03 0.00 -1.74 0.00 0.00 68.15 69.00 1m4i h THR 39 CO 0.02 0.68 0.28 0.44 0.37 0.00 0.00 175.52 177.31 1m4i h ASP 40 N 0.27 0.85 -0.56 4.18 3.32 -1.68 -1.24 116.42 121.57 1m4i h ASP 40 Ca -0.05 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 1m4i h ASP 40 Cb 1.43 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.73 1m4i h ASP 40 CO 0.14 0.75 0.26 -0.25 -1.72 0.00 0.00 179.24 178.42 1m4i h TRP 41 N 0.93 0.82 -0.82 4.55 2.91 -0.91 -2.54 115.95 120.89 1m4i h TRP 41 Ca 0.22 -0.04 0.06 0.00 1.13 0.00 0.00 58.89 60.26 1m4i h TRP 41 Cb 0.14 -0.25 -0.05 0.00 -0.51 0.00 0.00 29.16 28.49 1m4i h TRP 41 CO 0.01 0.64 0.53 1.49 -1.03 0.00 0.00 178.44 180.08 1m4i h GLU 42 N 0.76 0.88 0.00 2.65 4.22 -0.70 -0.11 114.58 122.28 1m4i h GLU 42 Ca 0.19 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.58 1m4i h GLU 42 Cb 0.13 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1m4i h GLU 42 CO -0.02 0.58 0.00 0.45 -2.18 0.00 0.00 179.01 177.84 1m4i h HIS 43 N 0.90 0.00 -0.00 0.92 3.86 -0.82 -1.31 115.15 118.70 1m4i h HIS 43 Ca 0.35 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.56 1m4i h HIS 43 Cb 0.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1m4i h HIS 43 CO -0.00 0.00 -0.19 0.25 0.86 0.00 0.00 177.93 178.85 1m4i n THR 44 N -2.64 0.00 -3.69 2.45 -2.24 -0.06 -4.86 114.28 103.25 1m4i n THR 44 Ca -0.00 -0.06 -0.33 0.00 -2.27 0.00 0.00 64.05 61.39 1m4i n THR 44 Cb 0.17 0.02 -0.05 0.00 -2.10 0.00 0.00 70.33 68.37 1m4i n THR 44 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1m4i s LEU 45 N -2.62 4.32 0.00 3.22 1.43 -0.50 -4.56 118.68 119.98 1m4i s LEU 45 Ca 0.24 0.61 0.00 0.00 -1.03 0.00 0.00 54.13 53.94 1m4i s LEU 45 Cb 0.19 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.36 1m4i s LEU 45 CO 0.52 0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.85 1m4i n GLY 46 N 0.55 1.23 0.00 -3.19 0.00 -1.26 -4.98 105.19 97.54 1m4i n GLY 46 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1m4i n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m4i n GLY 47 N -0.60 5.28 3.64 -0.02 0.00 -1.26 -4.83 105.19 107.40 1m4i n GLY 47 Ca 0.00 -1.48 -0.36 0.00 0.00 0.00 0.00 46.02 44.18 1m4i n GLY 47 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1m4i s MET 48 N 3.52 4.03 -0.21 1.61 -1.94 -0.47 -1.21 119.30 124.63 1m4i s MET 48 Ca 0.00 -0.29 -0.17 0.00 -1.71 0.00 0.00 55.69 53.52 1m4i s MET 48 Cb 0.00 -3.50 -0.04 0.00 2.01 0.00 0.00 34.83 33.31 1m4i s MET 48 CO 0.00 0.06 0.44 -1.01 -0.01 0.00 0.00 175.02 174.50 1m4i s HIS 49 N 1.04 3.35 -0.26 -0.03 4.02 0.32 -0.50 115.29 123.23 1m4i s HIS 49 Ca 0.07 0.64 -0.21 0.00 1.02 0.00 0.00 55.06 56.58 1m4i s HIS 49 Cb -0.14 -2.59 -0.02 0.00 -1.02 0.00 0.00 32.58 28.82 1m4i s HIS 49 CO 0.04 -0.09 0.65 0.00 1.02 0.00 0.00 174.74 176.36 1m4i s ALA 50 N 1.59 3.60 -0.02 -1.40 0.00 0.96 -0.80 121.76 125.70 1m4i s ALA 50 Ca 0.20 -0.44 0.07 0.00 0.00 0.00 0.00 51.96 51.80 1m4i s ALA 50 Cb -0.15 -3.06 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 1m4i s ALA 50 CO 0.09 -0.85 -0.24 -0.51 0.00 0.00 0.00 175.76 174.24 1m4i s LEU 51 N 2.55 2.04 -0.13 0.00 1.43 0.37 -1.54 118.68 123.40 1m4i s LEU 51 Ca 0.27 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.96 1m4i s LEU 51 Cb -0.15 -1.23 0.01 0.00 0.03 0.00 0.00 46.19 44.84 1m4i s LEU 51 CO 0.09 0.29 -0.22 -0.63 0.23 0.00 0.00 176.35 176.11 1m4i s ILE 52 N -0.53 2.03 -0.07 -0.59 1.01 -0.53 -0.52 121.20 122.00 1m4i s ILE 52 Ca 0.08 -0.97 -0.04 0.00 0.00 0.00 0.00 60.65 59.72 1m4i s ILE 52 Cb -0.09 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 1m4i s ILE 52 CO -0.01 0.55 0.10 0.26 0.00 0.00 0.00 174.94 175.84 1m4i s TRP 53 N 0.72 3.43 -0.12 3.97 0.52 -1.26 -0.76 118.94 125.44 1m4i s TRP 53 Ca -0.10 0.36 -0.05 0.00 0.02 0.00 0.00 56.10 56.34 1m4i s TRP 53 Cb -0.16 -1.85 0.06 0.00 -1.15 0.00 0.00 33.47 30.37 1m4i s TRP 53 CO 0.00 0.63 0.25 -1.58 0.02 0.00 0.00 176.95 176.27 1m4i s HIS 54 N -1.08 -0.40 -1.52 -1.98 2.46 -0.11 -4.53 115.29 108.13 1m4i s HIS 54 Ca 0.18 0.92 -0.14 0.00 0.47 0.00 0.00 55.06 56.50 1m4i s HIS 54 Cb -0.12 -0.04 0.10 0.00 -0.13 0.00 0.00 32.58 32.40 1m4i s HIS 54 CO 0.08 -0.33 0.79 0.72 -2.47 0.00 0.00 174.74 173.53 1m4i n HIS 55 N 5.17 -2.00 -1.00 3.88 8.25 -1.26 -1.50 115.22 126.76 1m4i n HIS 55 Ca -0.09 0.75 -0.00 0.00 -0.26 0.00 0.00 57.72 58.12 1m4i n HIS 55 Cb 0.50 -3.43 -0.00 0.00 1.12 0.00 0.00 29.99 28.19 1m4i n HIS 55 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1m4i n GLY 56 N -1.47 0.45 3.39 -1.41 0.00 -1.26 -5.02 105.19 99.87 1m4i n GLY 56 Ca 0.04 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1m4i n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m4i s ALA 57 N -1.89 2.37 -0.30 4.61 0.00 -0.56 -5.09 121.76 120.89 1m4i s ALA 57 Ca 0.00 -1.50 -0.27 0.00 0.00 0.00 0.00 51.96 50.19 1m4i s ALA 57 Cb 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.78 1m4i s ALA 57 CO 0.00 0.50 0.99 0.42 0.00 0.00 0.00 175.76 177.67 1m4i s ILE 58 N -1.23 4.61 -1.10 0.00 -1.09 -1.26 -0.93 121.20 120.19 1m4i s ILE 58 Ca 0.15 1.62 0.17 0.00 -2.23 0.00 0.00 60.65 60.37 1m4i s ILE 58 Cb -0.09 -4.33 -0.12 0.00 -1.58 0.00 0.00 42.46 36.33 1m4i s ILE 58 CO 0.07 -0.38 0.80 2.30 -1.23 0.00 0.00 174.94 176.49 1m4i n ILE 59 N 5.71 0.00 -3.59 2.92 -5.35 0.06 -4.86 119.36 114.25 1m4i n ILE 59 Ca 0.10 -0.17 -0.16 0.00 -0.27 0.00 0.00 62.75 62.24 1m4i n ILE 59 Cb 0.47 1.07 -0.07 0.00 -1.74 0.00 0.00 39.64 39.38 1m4i n ILE 59 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1m4i s ALA 60 N -2.43 -1.52 -0.11 -1.28 0.00 -1.16 -0.74 121.76 114.51 1m4i s ALA 60 Ca 0.09 1.17 -0.14 0.00 0.00 0.00 0.00 51.96 53.08 1m4i s ALA 60 Cb 0.14 -0.13 0.04 0.00 0.00 0.00 0.00 23.12 23.16 1m4i s ALA 60 CO 0.62 -0.34 0.38 -1.58 0.00 0.00 0.00 175.76 174.84 1m4i s HIS 61 N -1.00 -0.38 -0.16 0.00 2.46 -0.05 -1.46 115.29 114.71 1m4i s HIS 61 Ca -0.10 0.86 -0.10 0.00 0.47 0.00 0.00 55.06 56.20 1m4i s HIS 61 Cb -0.02 0.14 0.05 0.00 -0.13 0.00 0.00 32.58 32.63 1m4i s HIS 61 CO 0.07 -0.26 0.39 0.00 -2.47 0.00 0.00 174.74 172.47 1m4i s ALA 62 N -0.20 -0.98 -0.06 1.58 0.00 -0.59 -0.96 121.76 120.56 1m4i s ALA 62 Ca -0.04 1.39 -0.01 0.00 0.00 0.00 0.00 51.96 53.30 1m4i s ALA 62 Cb -0.03 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 1m4i s ALA 62 CO 0.02 -0.24 0.03 0.00 0.00 0.00 0.00 175.76 175.56 1m4i s ALA 63 N 1.18 3.39 -0.28 0.00 0.00 0.14 -0.02 121.76 126.16 1m4i s ALA 63 Ca -0.08 -0.83 -0.04 0.00 0.00 0.00 0.00 51.96 51.01 1m4i s ALA 63 Cb -0.08 -1.51 0.02 0.00 0.00 0.00 0.00 23.12 21.56 1m4i s ALA 63 CO -0.10 0.62 0.01 0.08 0.00 0.00 0.00 175.76 176.38 1m4i s VAL 64 N -0.99 3.37 0.15 0.00 1.01 0.34 -0.09 120.40 124.19 1m4i s VAL 64 Ca 0.16 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.25 1m4i s VAL 64 Cb -0.12 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 1m4i s VAL 64 CO 0.06 0.07 -0.04 0.27 0.00 0.00 0.00 175.10 175.47 1m4i s ILE 65 N 1.38 3.60 -0.01 2.22 -5.25 -0.47 -1.36 121.20 121.31 1m4i s ILE 65 Ca 0.00 -1.38 -0.18 0.00 -0.99 0.00 0.00 60.65 58.10 1m4i s ILE 65 Cb -0.18 -2.77 -0.05 0.00 2.95 0.00 0.00 42.46 42.41 1m4i s ILE 65 CO -0.01 -0.04 0.52 -1.58 -1.79 0.00 0.00 174.94 172.04 1m4i s GLN 66 N -2.70 4.20 0.34 0.37 0.74 -1.26 -0.17 119.66 121.19 1m4i s GLN 66 Ca 0.26 0.60 -0.06 0.00 0.05 0.00 0.00 55.36 56.21 1m4i s GLN 66 Cb -0.10 -3.31 0.02 0.00 1.10 0.00 0.00 33.01 30.72 1m4i s GLN 66 CO 0.17 0.46 0.55 2.89 -0.55 0.00 0.00 175.29 178.81 1m4i n ARG 67 N 2.48 0.79 -4.96 1.67 1.85 -0.42 -4.96 116.66 113.12 1m4i n ARG 67 Ca -0.09 -2.47 -0.32 0.00 -1.00 0.00 0.00 57.85 53.96 1m4i n ARG 67 Cb 0.51 2.57 -0.14 0.00 -1.05 0.00 0.00 32.46 34.35 1m4i n ARG 67 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1m4i s ARG 68 N -2.54 2.54 -0.11 2.89 1.81 -1.26 -0.91 118.95 121.37 1m4i s ARG 68 Ca 0.24 -0.74 0.02 0.00 -1.72 0.00 0.00 55.73 53.53 1m4i s ARG 68 Cb -0.02 -2.34 -0.01 0.00 -0.45 0.00 0.00 34.95 32.13 1m4i s ARG 68 CO 0.17 0.56 -0.19 -0.51 -0.68 0.00 0.00 175.30 174.65 1m4i s LEU 69 N -0.57 2.38 -0.24 2.53 1.43 -0.82 -2.49 118.68 120.90 1m4i s LEU 69 Ca 0.08 -0.45 -0.15 0.00 -1.03 0.00 0.00 54.13 52.58 1m4i s LEU 69 Cb -0.11 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 1m4i s LEU 69 CO 0.01 0.17 0.38 -0.63 0.23 0.00 0.00 176.35 176.51 1m4i s ILE 70 N 0.28 5.19 -0.12 -0.59 1.01 0.99 -0.44 121.20 127.53 1m4i s ILE 70 Ca -0.14 0.63 -0.01 0.00 0.00 0.00 0.00 60.65 61.13 1m4i s ILE 70 Cb -0.17 -3.71 0.03 0.00 0.01 0.00 0.00 42.46 38.62 1m4i s ILE 70 CO 0.07 0.21 -0.06 -0.47 0.00 0.00 0.00 174.94 174.68 1m4i s TYR 71 N 1.69 1.42 -1.60 3.97 5.04 -0.24 -1.61 117.35 126.01 1m4i s TYR 71 Ca 0.17 -0.72 -0.15 0.00 -2.44 0.00 0.00 57.07 53.93 1m4i s TYR 71 Cb -0.15 -1.20 0.11 0.00 0.35 0.00 0.00 41.96 41.08 1m4i s TYR 71 CO 0.09 -0.51 0.84 0.54 -1.34 0.00 0.00 175.55 175.17 1m4i n ARG 72 N 4.96 -4.20 -0.99 4.97 1.74 -1.26 -0.48 116.66 121.40 1m4i n ARG 72 Ca -0.12 0.47 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 1m4i n ARG 72 Cb 0.50 -5.22 0.00 0.00 -1.02 0.00 0.00 32.46 26.71 1m4i n ARG 72 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1m4i n GLY 73 N -1.57 0.77 3.50 -0.13 0.00 -1.26 -5.01 105.19 101.49 1m4i n GLY 73 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1m4i n GLY 73 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1m4i s ASN 74 N -2.58 4.93 -0.73 1.61 3.84 0.37 -5.06 114.94 117.31 1m4i s ASN 74 Ca 0.00 -0.13 -0.22 0.00 0.21 0.00 0.00 52.86 52.72 1m4i s ASN 74 Cb 0.00 -1.82 0.08 0.00 -0.55 0.00 0.00 41.25 38.96 1m4i s ASN 74 CO 0.00 0.13 1.02 0.00 -2.79 0.00 0.00 177.10 175.46 1m4i s ALA 75 N 0.60 3.14 0.33 1.71 0.00 -1.26 -1.08 121.76 125.21 1m4i s ALA 75 Ca -0.01 -2.05 -0.26 0.00 0.00 0.00 0.00 51.96 49.64 1m4i s ALA 75 Cb -0.14 -3.93 -0.09 0.00 0.00 0.00 0.00 23.12 18.95 1m4i s ALA 75 CO 0.02 -2.86 1.02 -0.51 0.00 0.00 0.00 175.76 173.43 1m4i s LEU 76 N 3.84 4.34 -0.47 0.00 1.43 0.41 -4.82 118.68 123.42 1m4i s LEU 76 Ca 0.25 2.02 -0.28 0.00 -1.03 0.00 0.00 54.13 55.10 1m4i s LEU 76 Cb -0.14 -3.95 0.03 0.00 0.03 0.00 0.00 46.19 42.16 1m4i s LEU 76 CO 0.05 -0.22 1.07 -0.60 0.23 0.00 0.00 176.35 176.88 1m4i s ARG 77 N -1.99 3.67 -0.09 1.70 3.52 -1.26 -1.94 118.95 122.56 1m4i s ARG 77 Ca 0.51 0.45 0.02 0.00 -0.13 0.00 0.00 55.73 56.58 1m4i s ARG 77 Cb -0.24 -3.91 -0.02 0.00 -1.56 0.00 0.00 34.95 29.23 1m4i s ARG 77 CO 0.30 -1.31 -0.17 0.00 -0.81 0.00 0.00 175.30 173.31 1m4i s GLY 79 N -0.01 1.78 -0.17 0.00 0.00 -0.35 -1.30 107.32 107.27 1m4i s GLY 79 Ca -0.05 -0.75 -0.06 0.00 0.00 0.00 0.00 44.72 43.86 1m4i s GLY 79 CO 0.04 1.42 0.04 -0.47 0.00 0.00 0.00 173.10 174.13 1m4i s TYR 80 N 2.57 3.20 -0.27 1.90 5.04 0.76 -1.45 117.35 129.12 1m4i s TYR 80 Ca 0.24 0.01 -0.16 0.00 -2.44 0.00 0.00 57.07 54.71 1m4i s TYR 80 Cb -0.15 -2.03 -0.03 0.00 0.35 0.00 0.00 41.96 40.10 1m4i s TYR 80 CO 0.13 0.14 0.43 0.08 -1.34 0.00 0.00 175.55 174.99 1m4i s VAL 81 N 0.26 5.13 0.10 3.14 1.01 -0.17 -1.36 120.40 128.51 1m4i s VAL 81 Ca 0.02 0.70 0.09 0.00 0.00 0.00 0.00 61.98 62.79 1m4i s VAL 81 Cb -0.13 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1m4i s VAL 81 CO 0.01 0.13 -0.23 -1.61 0.00 0.00 0.00 175.10 173.40 1m4i s GLU 82 N 2.16 1.27 -1.15 2.72 0.41 0.87 -4.61 118.70 120.36 1m4i s GLU 82 Ca 0.18 -1.16 -0.02 0.00 -0.41 0.00 0.00 54.97 53.55 1m4i s GLU 82 Cb -0.16 -1.56 0.00 0.00 -1.78 0.00 0.00 34.13 30.63 1m4i s GLU 82 CO 0.10 0.37 0.22 0.41 -0.49 0.00 0.00 175.26 175.87 1m4i n GLY 83 N 1.21 -0.19 3.66 -1.39 0.00 -1.26 -0.68 105.19 106.54 1m4i n GLY 83 Ca -0.19 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 1m4i n GLY 83 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1m4i s VAL 84 N -2.85 3.53 -0.25 1.61 1.01 -1.26 -4.29 120.40 117.90 1m4i s VAL 84 Ca 0.11 0.63 -0.22 0.00 0.00 0.00 0.00 61.98 62.50 1m4i s VAL 84 Cb -0.05 -3.41 0.06 0.00 0.00 0.00 0.00 36.38 32.98 1m4i s VAL 84 CO 0.13 -0.06 0.65 0.00 0.00 0.00 0.00 175.10 175.83 1m4i s ALA 85 N 4.13 -1.62 -0.11 5.51 0.00 -0.14 -5.01 121.76 124.52 1m4i s ALA 85 Ca 0.75 1.86 0.03 0.00 0.00 0.00 0.00 51.96 54.60 1m4i s ALA 85 Cb -0.34 -1.08 -0.00 0.00 0.00 0.00 0.00 23.12 21.70 1m4i s ALA 85 CO 0.31 -0.31 -0.22 0.08 0.00 0.00 0.00 175.76 175.62 1m4i s VAL 86 N 0.39 2.27 0.44 0.00 1.01 -1.26 -0.87 120.40 122.38 1m4i s VAL 86 Ca -0.00 -0.94 -0.25 0.00 0.00 0.00 0.00 61.98 60.78 1m4i s VAL 86 Cb -0.05 -1.89 -0.09 0.00 0.00 0.00 0.00 36.38 34.36 1m4i s VAL 86 CO 0.00 0.55 1.31 -1.14 0.00 0.00 0.00 175.10 175.82 1m4i n ARG 87 N 3.55 1.96 -0.08 2.72 0.63 0.08 -4.79 116.66 120.74 1m4i n ARG 87 Ca -0.19 0.70 0.06 0.00 -0.92 0.00 0.00 57.85 57.50 1m4i n ARG 87 Cb 0.53 -2.45 0.41 0.00 0.45 0.00 0.00 32.46 31.40 1m4i n ARG 87 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1m4i h ALA 88 N 2.05 1.74 0.00 5.13 0.00 -1.95 0.78 119.26 127.01 1m4i h ALA 88 Ca -0.49 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1m4i h ALA 88 Cb 1.29 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1m4i h ALA 88 CO 0.60 0.20 0.00 -0.40 0.00 0.00 0.00 179.25 179.64 1m4i n ASP 89 N -4.47 0.46 -0.46 0.00 5.75 -1.26 -2.81 116.55 113.76 1m4i n ASP 89 Ca 0.07 0.65 0.05 0.00 -0.01 0.00 0.00 54.79 55.54 1m4i n ASP 89 Cb 0.15 -0.73 0.12 0.00 -1.03 0.00 0.00 41.12 39.63 1m4i n ASP 89 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1m4i n TRP 90 N -2.04 0.37 -1.79 2.11 7.02 0.26 -5.03 117.44 118.34 1m4i n TRP 90 Ca 0.01 -0.59 -0.31 0.00 -1.02 0.00 0.00 57.50 55.59 1m4i n TRP 90 Cb 0.14 -0.08 0.03 0.00 -2.42 0.00 0.00 31.31 28.98 1m4i n TRP 90 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1m4i s ARG 91 N -1.38 3.24 -0.01 -0.99 0.52 -1.12 -4.01 118.95 115.20 1m4i s ARG 91 Ca 0.20 0.94 0.00 0.00 -0.52 0.00 0.00 55.73 56.35 1m4i s ARG 91 Cb 0.13 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.57 1m4i s ARG 91 CO 0.10 -0.86 0.00 0.41 0.02 0.00 0.00 175.30 174.97 1m4i n GLY 92 N -1.99 0.43 0.04 -3.53 0.00 -1.26 -4.91 105.19 93.97 1m4i n GLY 92 Ca 0.07 -0.71 0.04 0.00 0.00 0.00 0.00 46.02 45.42 1m4i n GLY 92 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1m4i n GLN 93 N -2.98 2.18 -1.61 1.61 6.02 -1.26 -5.00 117.38 116.34 1m4i n GLN 93 Ca -0.00 -1.84 -0.14 0.00 -0.01 0.00 0.00 57.00 55.00 1m4i n GLN 93 Cb 0.01 -1.15 -0.05 0.00 1.02 0.00 0.00 30.24 30.07 1m4i n GLN 93 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1m4i n ARG 94 N -0.81 -1.02 0.22 -1.09 1.74 -1.26 -4.89 116.66 109.55 1m4i n ARG 94 Ca 0.06 0.93 0.06 0.00 -0.77 0.00 0.00 57.85 58.13 1m4i n ARG 94 Cb 0.41 -5.08 0.52 0.00 -1.02 0.00 0.00 32.46 27.29 1m4i n ARG 94 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1m4i h LEU 95 N 0.00 0.01 -2.14 0.55 3.38 -1.94 -0.54 115.31 114.63 1m4i h LEU 95 Ca -0.30 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1m4i h LEU 95 Cb 1.00 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 1m4i h LEU 95 CO 0.42 0.16 -0.03 1.62 0.09 0.00 0.00 178.44 180.70 1m4i h VAL 96 N 0.02 0.78 -0.42 1.22 3.04 -1.95 -1.03 116.25 117.91 1m4i h VAL 96 Ca 0.00 -0.12 -0.09 0.00 -1.01 0.00 0.00 66.70 65.48 1m4i h VAL 96 Cb 0.27 1.07 -0.02 0.00 -2.01 0.00 0.00 31.29 30.60 1m4i h VAL 96 CO 0.02 0.03 -0.12 -1.28 -1.01 0.00 0.00 177.57 175.21 1m4i h SER 97 N 0.00 0.74 -0.22 3.17 0.87 -1.48 -0.41 113.55 116.21 1m4i h SER 97 Ca -0.00 -0.22 -0.13 0.00 -1.23 0.00 0.00 61.79 60.21 1m4i h SER 97 Cb 0.07 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 1m4i h SER 97 CO 0.00 0.88 -0.33 0.00 -0.53 0.00 0.00 176.83 176.86 1m4i h ALA 98 N 1.19 0.79 -0.40 6.23 0.00 -1.24 -0.22 119.26 125.62 1m4i h ALA 98 Ca 0.11 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1m4i h ALA 98 Cb 0.59 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1m4i h ALA 98 CO 0.04 0.65 0.18 -0.07 0.00 0.00 0.00 179.25 180.04 1m4i h LEU 99 N 0.62 0.54 -1.34 0.00 3.38 -0.89 -2.92 115.31 114.70 1m4i h LEU 99 Ca 0.07 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1m4i h LEU 99 Cb 0.86 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1m4i h LEU 99 CO 0.07 0.54 -0.32 -0.07 0.09 0.00 0.00 178.44 178.75 1m4i h LEU 100 N 0.50 0.00 -0.69 1.67 3.38 -0.85 -0.54 115.31 118.79 1m4i h LEU 100 Ca 0.14 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.13 1m4i h LEU 100 Cb 0.15 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1m4i h LEU 100 CO -0.01 0.32 0.43 0.44 0.09 0.00 0.00 178.44 179.71 1m4i h ASP 101 N 0.00 0.72 -0.12 -0.43 3.32 -0.84 0.70 116.42 119.76 1m4i h ASP 101 Ca -0.00 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 1m4i h ASP 101 Cb 0.63 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1m4i h ASP 101 CO 0.04 0.50 -0.24 0.00 -1.72 0.00 0.00 179.24 177.83 1m4i h ALA 102 N 1.29 0.19 -0.33 3.45 0.00 -1.33 -2.31 119.26 120.23 1m4i h ALA 102 Ca 0.27 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 54.86 1m4i h ALA 102 Cb -0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 1m4i h ALA 102 CO -0.10 0.16 -0.07 0.28 0.00 0.00 0.00 179.25 179.53 1m4i h VAL 103 N -0.04 0.69 -0.08 0.00 2.07 -0.99 -1.43 116.25 116.46 1m4i h VAL 103 Ca 0.00 -0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 1m4i h VAL 103 Cb 0.83 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1m4i h VAL 103 CO 0.05 0.00 -0.36 -0.33 0.02 0.00 0.00 177.57 176.95 1m4i h GLU 104 N 0.01 0.17 -0.72 1.57 5.08 -0.88 -1.55 114.58 118.26 1m4i h GLU 104 Ca 0.16 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1m4i h GLU 104 Cb 0.24 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1m4i h GLU 104 CO -0.32 0.51 0.22 0.37 -1.00 0.00 0.00 179.01 178.79 1m4i h GLN 105 N 0.15 1.13 -0.72 2.33 4.15 -1.02 -0.93 115.11 120.19 1m4i h GLN 105 Ca 0.02 -0.25 -0.04 0.00 0.77 0.00 0.00 58.65 59.15 1m4i h GLN 105 Cb 0.71 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.21 1m4i h GLN 105 CO 0.05 0.97 0.28 0.28 -1.93 0.00 0.00 178.83 178.48 1m4i h VAL 106 N 1.08 1.25 -0.10 2.39 2.07 -0.69 -1.16 116.25 121.08 1m4i h VAL 106 Ca 0.23 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 1m4i h VAL 106 Cb 0.31 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1m4i h VAL 106 CO -0.01 0.32 0.04 0.24 0.02 0.00 0.00 177.57 178.19 1m4i h MET 107 N 1.04 0.15 -0.24 1.57 2.86 -0.86 -0.89 114.93 118.57 1m4i h MET 107 Ca 0.24 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.83 1m4i h MET 107 Cb 0.22 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1m4i h MET 107 CO -0.02 0.26 0.05 0.00 1.06 0.00 0.00 176.91 178.26 1m4i h ARG 108 N 0.01 0.34 0.00 1.72 3.08 -0.98 -1.80 114.38 116.75 1m4i h ARG 108 Ca 0.03 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1m4i h ARG 108 Cb 0.16 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1m4i h ARG 108 CO -0.00 0.33 -0.61 0.41 -1.07 0.00 0.00 179.97 179.03 1m4i n GLY 109 N -1.20 -1.43 0.00 0.04 0.00 -0.46 -4.64 105.19 97.51 1m4i n GLY 109 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1m4i n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m4i n ALA 110 N -1.83 0.23 -2.32 4.61 0.00 -0.38 -5.09 120.51 115.72 1m4i n ALA 110 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.31 1m4i n ALA 110 Cb 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.79 1m4i n ALA 110 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1m4i s TYR 111 N -0.13 1.54 -0.10 0.00 2.02 -0.69 -5.01 117.35 114.97 1m4i s TYR 111 Ca 0.00 -1.03 0.14 0.00 -0.37 0.00 0.00 57.07 55.81 1m4i s TYR 111 Cb 0.00 -0.91 -0.07 0.00 -0.40 0.00 0.00 41.96 40.58 1m4i s TYR 111 CO 0.00 -0.17 1.14 1.96 -1.57 0.00 0.00 175.55 176.91 1m4i h GLN 112 N 2.44 0.00 -2.31 -0.62 4.20 -1.04 -3.44 115.11 114.34 1m4i h GLN 112 Ca -0.38 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.27 1m4i h GLN 112 Cb 1.23 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 28.83 1m4i h GLN 112 CO 0.64 0.49 0.14 -0.48 -0.67 0.00 0.00 178.83 178.95 1m4i s LEU 113 N -6.21 -0.48 0.32 1.46 2.34 -1.15 -0.67 118.68 114.29 1m4i s LEU 113 Ca 0.00 0.51 -0.03 0.00 0.06 0.00 0.00 54.13 54.67 1m4i s LEU 113 Cb 0.08 2.41 -0.04 0.00 -0.56 0.00 0.00 46.19 48.08 1m4i s LEU 113 CO 0.79 -0.66 0.57 -0.83 -1.06 0.00 0.00 176.35 175.15 1m4i s GLY 114 N -1.52 1.66 0.08 -3.48 0.00 -0.25 -1.21 107.32 102.60 1m4i s GLY 114 Ca -0.09 -0.67 -0.17 0.00 0.00 0.00 0.00 44.72 43.79 1m4i s GLY 114 CO 0.05 -0.57 0.40 0.00 0.00 0.00 0.00 173.10 172.98 1m4i s ALA 115 N -2.21 -0.95 0.02 3.20 0.00 -0.53 -0.33 121.76 120.96 1m4i s ALA 115 Ca 0.43 0.12 -0.28 0.00 0.00 0.00 0.00 51.96 52.23 1m4i s ALA 115 Cb -0.10 0.50 0.10 0.00 0.00 0.00 0.00 23.12 23.61 1m4i s ALA 115 CO 0.33 -0.54 0.90 -0.48 0.00 0.00 0.00 175.76 175.98 1m4i s LEU 116 N -2.38 -0.33 -0.28 0.00 0.05 -0.74 -1.00 118.68 114.00 1m4i s LEU 116 Ca -0.01 -0.07 -0.12 0.00 0.05 0.00 0.00 54.13 53.98 1m4i s LEU 116 Cb 0.01 2.04 -0.05 0.00 -2.05 0.00 0.00 46.19 46.14 1m4i s LEU 116 CO -0.07 -0.67 0.22 -0.55 -0.55 0.00 0.00 176.35 174.73 1m4i s SER 117 N -2.57 6.05 0.01 1.48 0.15 -1.26 -1.00 113.70 116.56 1m4i s SER 117 Ca 0.06 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1m4i s SER 117 Cb -0.01 -2.13 -0.04 0.00 -1.71 0.00 0.00 66.02 62.13 1m4i s SER 117 CO -0.07 -0.08 0.07 -0.55 1.20 0.00 0.00 173.24 173.81 1m4i s SER 118 N 1.74 5.61 0.78 5.45 0.15 0.83 -5.00 113.70 123.26 1m4i s SER 118 Ca 0.08 0.11 -0.12 0.00 0.70 0.00 0.00 55.95 56.72 1m4i s SER 118 Cb -0.16 -1.58 0.06 0.00 -1.71 0.00 0.00 66.02 62.62 1m4i s SER 118 CO 0.11 0.26 1.11 -0.94 1.20 0.00 0.00 173.24 174.98 1m4i s SER 119 N -1.81 4.77 0.36 5.45 1.04 -1.26 -4.76 113.70 117.49 1m4i s SER 119 Ca 0.23 1.12 0.11 0.00 0.48 0.00 0.00 55.95 57.89 1m4i s SER 119 Cb -0.12 -1.83 0.70 0.00 0.10 0.00 0.00 66.02 64.88 1m4i s SER 119 CO 0.15 -1.77 1.83 0.00 0.98 0.00 0.00 173.24 174.43 1m4i h ALA 120 N -0.96 1.38 -0.35 5.32 0.00 -1.97 -2.83 119.26 119.85 1m4i h ALA 120 Ca -0.46 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.06 1m4i h ALA 120 Cb 1.28 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1m4i h ALA 120 CO 0.62 0.45 -0.09 0.00 0.00 0.00 0.00 179.25 180.23 1m4i h ARG 121 N 0.09 0.60 -0.01 0.00 3.08 -2.04 -2.99 114.38 113.11 1m4i h ARG 121 Ca 0.01 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1m4i h ARG 121 Cb 0.60 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1m4i h ARG 121 CO 0.04 0.69 -0.08 0.00 -1.07 0.00 0.00 179.97 179.55 1m4i n ALA 122 N -2.48 2.73 -0.32 0.04 0.00 -1.08 -4.31 120.51 115.08 1m4i n ALA 122 Ca 0.01 -0.42 0.03 0.00 0.00 0.00 0.00 53.44 53.06 1m4i n ALA 122 Cb 0.32 -1.17 0.18 0.00 0.00 0.00 0.00 19.45 18.78 1m4i n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m4i h ARG 123 N 1.94 0.92 -0.76 0.00 3.08 -1.37 -1.90 114.38 116.28 1m4i h ARG 123 Ca 0.00 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 1m4i h ARG 123 Cb 0.49 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 1m4i h ARG 123 CO 0.00 0.61 0.28 -0.09 -1.07 0.00 0.00 179.97 179.70 1m4i h ARG 124 N 0.94 1.15 0.41 0.04 2.43 -1.80 0.34 114.38 117.89 1m4i h ARG 124 Ca 0.42 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1m4i h ARG 124 Cb 0.31 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1m4i h ARG 124 CO -0.22 0.95 -0.36 1.25 -1.51 0.00 0.00 179.97 180.08 1m4i h LEU 125 N 1.11 -0.96 -0.38 3.80 5.85 -1.63 -0.59 115.31 122.51 1m4i h LEU 125 Ca 0.25 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 59.05 1m4i h LEU 125 Cb 0.25 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1m4i h LEU 125 CO -0.02 -0.51 0.24 1.88 -0.34 0.00 0.00 178.44 179.68 1m4i h TYR 126 N -0.78 0.49 -0.65 1.25 0.05 -1.32 -2.08 116.97 113.93 1m4i h TYR 126 Ca -0.04 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.76 1m4i h TYR 126 Cb 0.68 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 38.22 1m4i h TYR 126 CO -0.18 0.34 0.43 0.00 -1.05 0.00 0.00 178.16 177.70 1m4i h ALA 127 N 1.11 1.57 0.00 3.88 0.00 -0.83 -1.57 119.26 123.42 1m4i h ALA 127 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1m4i h ALA 127 Cb -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1m4i h ALA 127 CO -0.03 0.39 0.00 0.66 0.00 0.00 0.00 179.25 180.27 1m4i h SER 128 N 0.85 0.00 -0.33 0.00 4.64 -0.39 -1.49 113.55 116.82 1m4i h SER 128 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1m4i h SER 128 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1m4i h SER 128 CO -0.06 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.44 1m4i n ARG 129 N -2.98 2.17 0.00 4.77 1.74 -0.67 -4.94 116.66 116.76 1m4i n ARG 129 Ca 0.00 -1.78 0.00 0.00 -0.77 0.00 0.00 57.85 55.30 1m4i n ARG 129 Cb 0.25 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 1m4i n ARG 129 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1m4i n GLY 130 N 1.34 0.42 3.79 -0.13 0.00 -0.56 -5.06 105.19 104.98 1m4i n GLY 130 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1m4i n GLY 130 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1m4i s TRP 131 N -2.00 3.12 -0.11 1.61 0.52 -0.76 -4.89 118.94 116.43 1m4i s TRP 131 Ca 0.00 1.61 -0.02 0.00 0.02 0.00 0.00 56.10 57.70 1m4i s TRP 131 Cb 0.00 -3.12 -0.03 0.00 -1.15 0.00 0.00 33.47 29.17 1m4i s TRP 131 CO 0.00 -0.79 -0.02 -0.51 0.02 0.00 0.00 176.95 175.65 1m4i s LEU 132 N -3.03 3.40 0.19 2.99 1.43 0.58 -4.18 118.68 120.06 1m4i s LEU 132 Ca 0.62 0.02 -0.30 0.00 -1.03 0.00 0.00 54.13 53.44 1m4i s LEU 132 Cb -0.20 -1.79 -0.08 0.00 0.03 0.00 0.00 46.19 44.15 1m4i s LEU 132 CO 0.25 0.30 1.17 -2.16 0.23 0.00 0.00 176.35 176.13 1m4i s PRO 133 N -0.39 4.52 -0.28 1.29 0.04 -1.26 -0.54 135.00 138.38 1m4i s PRO 133 Ca 0.07 1.83 -0.26 0.00 0.04 0.00 0.00 61.00 62.68 1m4i s PRO 133 Cb -0.12 -3.24 0.01 0.00 0.04 0.00 0.00 34.50 31.18 1m4i s PRO 133 CO 0.02 -0.03 0.93 -0.46 0.04 0.00 0.00 177.00 177.51 1m4i s TRP 134 N -0.18 3.24 -0.18 0.56 -0.11 0.48 -4.90 118.94 117.85 1m4i s TRP 134 Ca 0.51 1.13 0.22 0.00 1.22 0.00 0.00 56.10 59.19 1m4i s TRP 134 Cb -0.32 -3.33 -0.13 0.00 -1.50 0.00 0.00 33.47 28.19 1m4i s TRP 134 CO 0.37 -0.57 0.82 0.72 -4.62 0.00 0.00 176.95 173.67 1m4i n HIS 135 N 6.38 0.56 -1.72 5.86 8.25 0.31 -4.35 115.22 130.51 1m4i n HIS 135 Ca 0.08 0.16 -0.29 0.00 -0.26 0.00 0.00 57.72 57.41 1m4i n HIS 135 Cb 0.47 -0.75 0.10 0.00 1.12 0.00 0.00 29.99 30.93 1m4i n HIS 135 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1m4i s GLY 136 N -4.38 1.60 0.42 -1.41 0.00 -0.72 -4.89 107.32 97.93 1m4i s GLY 136 Ca -0.03 -0.50 -0.25 0.00 0.00 0.00 0.00 44.72 43.94 1m4i s GLY 136 CO 0.84 -0.01 1.23 2.56 0.00 0.00 0.00 173.10 177.71 1m4i s PRO 137 N -5.38 3.92 0.13 2.90 0.04 -1.26 -4.79 135.00 130.56 1m4i s PRO 137 Ca 0.62 1.96 0.04 0.00 0.04 0.00 0.00 61.00 63.66 1m4i s PRO 137 Cb -0.13 -2.64 -0.04 0.00 0.04 0.00 0.00 34.50 31.74 1m4i s PRO 137 CO 0.52 -0.47 0.15 0.95 0.04 0.00 0.00 177.00 178.19 1m4i s THR 138 N -1.37 4.70 0.30 1.26 -4.23 -1.26 -1.90 115.64 113.13 1m4i s THR 138 Ca 0.59 -0.89 -0.09 0.00 -1.18 0.00 0.00 61.69 60.11 1m4i s THR 138 Cb -0.34 -3.36 0.00 0.00 1.34 0.00 0.00 72.50 70.15 1m4i s THR 138 CO 0.42 -0.03 0.51 -0.94 -0.54 0.00 0.00 174.62 174.04 1m4i s SER 139 N -2.91 0.28 0.01 3.99 1.04 -0.49 -1.40 113.70 114.21 1m4i s SER 139 Ca 0.31 -1.16 0.03 0.00 0.48 0.00 0.00 55.95 55.62 1m4i s SER 139 Cb -0.11 0.64 -0.01 0.00 0.10 0.00 0.00 66.02 66.64 1m4i s SER 139 CO 0.24 -1.26 -0.11 0.54 0.98 0.00 0.00 173.24 173.64 1m4i s VAL 140 N -3.48 0.82 -1.15 5.02 0.11 -0.03 -0.77 120.40 120.93 1m4i s VAL 140 Ca 0.25 -0.65 -0.18 0.00 -2.93 0.00 0.00 61.98 58.47 1m4i s VAL 140 Cb -0.01 -0.73 0.11 0.00 -1.53 0.00 0.00 36.38 34.22 1m4i s VAL 140 CO 0.13 0.09 1.47 -0.22 -3.33 0.00 0.00 175.10 173.24 1m4i s LEU 141 N -0.63 4.38 0.84 2.54 2.96 0.06 -0.89 118.68 127.93 1m4i s LEU 141 Ca 0.02 -2.35 -0.12 0.00 -0.22 0.00 0.00 54.13 51.45 1m4i s LEU 141 Cb -0.06 -2.49 0.10 0.00 0.50 0.00 0.00 46.19 44.24 1m4i s LEU 141 CO 0.00 -1.08 1.15 0.00 -1.32 0.00 0.00 176.35 175.10 1m4i s ALA 142 N 3.26 2.29 0.63 5.97 0.00 -0.97 -3.73 121.76 129.21 1m4i s ALA 142 Ca 0.45 -0.55 0.44 0.00 0.00 0.00 0.00 51.96 52.30 1m4i s ALA 142 Cb -0.01 -3.00 2.39 0.00 0.00 0.00 0.00 23.12 22.50 1m4i s ALA 142 CO -0.01 -1.89 2.35 -1.35 0.00 0.00 0.00 175.76 174.86 1m4i h PRO 143 N -1.21 0.00 0.00 0.00 0.11 -2.01 -0.40 132.00 128.49 1m4i h PRO 143 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1m4i h PRO 143 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1m4i h PRO 143 CO 0.64 0.00 -0.50 0.25 -0.21 0.00 0.00 178.00 178.18 1m4i n THR 144 N -3.05 0.01 0.00 -1.15 -2.24 -1.26 -5.05 114.28 101.54 1m4i n THR 144 Ca -0.03 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1m4i n THR 144 Cb 0.07 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 1m4i n THR 144 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1m4i n GLY 145 N 1.49 0.70 3.77 3.38 0.00 -0.16 -5.05 105.19 109.32 1m4i n GLY 145 Ca 0.05 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.46 1m4i n GLY 145 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1m4i s PRO 146 N -0.81 4.10 -0.05 1.61 0.02 -1.26 -2.29 135.00 136.32 1m4i s PRO 146 Ca 0.00 2.59 -0.03 0.00 0.02 0.00 0.00 61.00 63.58 1m4i s PRO 146 Cb 0.00 -2.99 0.02 0.00 0.02 0.00 0.00 34.50 31.55 1m4i s PRO 146 CO 0.00 -0.60 0.13 0.54 -0.33 0.00 0.00 177.00 176.74 1m4i s VAL 147 N -0.56 -0.02 0.54 3.83 0.11 -0.07 -4.90 120.40 119.33 1m4i s VAL 147 Ca 0.58 0.08 -0.21 0.00 -2.93 0.00 0.00 61.98 59.50 1m4i s VAL 147 Cb -0.48 -0.20 -0.05 0.00 -1.53 0.00 0.00 36.38 34.13 1m4i s VAL 147 CO 0.56 0.03 1.24 -0.13 -3.33 0.00 0.00 175.10 173.48 1m4i s ARG 148 N 0.54 3.23 -0.59 1.54 1.81 -1.26 -0.85 118.95 123.37 1m4i s ARG 148 Ca -0.04 1.94 0.06 0.00 -1.72 0.00 0.00 55.73 55.97 1m4i s ARG 148 Cb -0.06 -2.15 0.26 0.00 -0.45 0.00 0.00 34.95 32.55 1m4i s ARG 148 CO -0.02 -1.03 0.73 0.25 -0.68 0.00 0.00 175.30 174.55 1m4i n THR 149 N -1.13 1.90 -0.03 0.02 -2.24 -0.50 -4.82 114.28 107.49 1m4i n THR 149 Ca 0.11 -5.06 0.17 0.00 -2.27 0.00 0.00 64.05 57.00 1m4i n THR 149 Cb 0.48 -1.97 0.61 0.00 -2.10 0.00 0.00 70.33 67.35 1m4i n THR 149 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1m4i h PRO 150 N 4.00 0.16 0.00 -0.78 0.13 -1.94 0.30 132.00 133.87 1m4i h PRO 150 Ca 0.17 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1m4i h PRO 150 Cb 0.69 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.78 1m4i h PRO 150 CO 0.77 0.10 0.00 -0.44 -0.23 0.00 0.00 178.00 178.20 1m4i h ASP 151 N 0.16 0.00 -0.02 1.44 3.32 -1.96 -1.92 116.42 117.43 1m4i h ASP 151 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1m4i h ASP 151 Cb 0.82 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.37 1m4i h ASP 151 CO -0.04 0.00 -0.13 0.47 -1.72 0.00 0.00 179.24 177.82 1m4i n ASP 152 N -2.97 2.71 -4.77 6.45 8.00 0.09 -4.93 116.55 121.14 1m4i n ASP 152 Ca -0.01 -1.86 -0.38 0.00 0.71 0.00 0.00 54.79 53.24 1m4i n ASP 152 Cb 0.16 0.13 -0.00 0.00 -0.02 0.00 0.00 41.12 41.38 1m4i n ASP 152 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1m4i s ASP 153 N -2.13 6.13 0.00 -2.24 1.01 -0.72 -2.58 116.67 116.14 1m4i s ASP 153 Ca 0.26 2.52 0.00 0.00 0.71 0.00 0.00 52.55 56.03 1m4i s ASP 153 Cb 0.20 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.50 1m4i s ASP 153 CO 0.37 -0.96 0.00 0.61 0.21 0.00 0.00 175.17 175.40 1m4i n GLY 154 N 0.60 0.53 0.00 0.21 0.00 -1.26 -4.87 105.19 100.41 1m4i n GLY 154 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.09 1m4i n GLY 154 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1m4i n THR 155 N -2.60 0.00 -3.25 2.61 -2.24 -1.06 -4.99 114.28 102.74 1m4i n THR 155 Ca 0.00 -0.19 -0.39 0.00 -2.27 0.00 0.00 64.05 61.21 1m4i n THR 155 Cb 0.06 0.62 -0.06 0.00 -2.10 0.00 0.00 70.33 68.85 1m4i n THR 155 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1m4i s VAL 156 N -1.89 4.78 0.08 2.28 1.01 -1.26 -0.12 120.40 125.28 1m4i s VAL 156 Ca -0.00 1.23 0.09 0.00 0.00 0.00 0.00 61.98 63.30 1m4i s VAL 156 Cb 0.02 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1m4i s VAL 156 CO 0.12 0.52 -0.24 -0.36 0.00 0.00 0.00 175.10 175.14 1m4i s PHE 157 N -0.88 2.07 0.15 5.22 0.40 -0.17 -0.38 117.98 124.37 1m4i s PHE 157 Ca 0.29 -0.40 0.07 0.00 -0.60 0.00 0.00 56.93 56.30 1m4i s PHE 157 Cb -0.19 -1.18 -0.04 0.00 0.51 0.00 0.00 43.02 42.12 1m4i s PHE 157 CO 0.19 0.19 -0.15 0.14 0.70 0.00 0.00 175.22 176.29 1m4i s VAL 158 N -0.95 1.51 -0.42 -0.44 -7.23 0.29 -1.78 120.40 111.38 1m4i s VAL 158 Ca 0.10 -1.86 0.02 0.00 -1.81 0.00 0.00 61.98 58.42 1m4i s VAL 158 Cb -0.10 -1.71 0.13 0.00 0.56 0.00 0.00 36.38 35.27 1m4i s VAL 158 CO 0.03 -0.44 0.22 -0.22 -0.31 0.00 0.00 175.10 174.39 1m4i s LEU 159 N -2.68 2.59 0.25 1.32 2.96 0.55 -0.31 118.68 123.37 1m4i s LEU 159 Ca 0.13 -2.48 -0.30 0.00 -0.22 0.00 0.00 54.13 51.26 1m4i s LEU 159 Cb -0.04 -0.99 -0.09 0.00 0.50 0.00 0.00 46.19 45.56 1m4i s LEU 159 CO 0.04 -0.29 1.23 -2.16 -1.32 0.00 0.00 176.35 173.85 1m4i s PRO 160 N 0.54 4.47 -0.45 0.98 0.04 -1.26 -1.09 135.00 138.23 1m4i s PRO 160 Ca 0.17 1.99 -0.09 0.00 0.04 0.00 0.00 61.00 63.11 1m4i s PRO 160 Cb -0.24 -3.17 0.10 0.00 0.04 0.00 0.00 34.50 31.24 1m4i s PRO 160 CO -0.02 -0.07 0.31 0.42 0.04 0.00 0.00 177.00 177.67 1m4i s ILE 161 N -0.62 4.16 -1.13 0.56 -1.09 0.15 -4.66 121.20 118.57 1m4i s ILE 161 Ca 0.50 -1.66 -0.07 0.00 -2.23 0.00 0.00 60.65 57.19 1m4i s ILE 161 Cb -0.35 -3.68 0.05 0.00 -1.58 0.00 0.00 42.46 36.90 1m4i s ILE 161 CO 0.43 -0.67 0.33 0.47 -1.23 0.00 0.00 174.94 174.27 1m4i n ASP 162 N 4.89 -3.47 -4.16 3.58 8.00 -1.26 -4.85 116.55 119.29 1m4i n ASP 162 Ca -0.08 -0.20 -0.12 0.00 0.71 0.00 0.00 54.79 55.10 1m4i n ASP 162 Cb 0.42 -2.91 -0.10 0.00 -0.02 0.00 0.00 41.12 38.50 1m4i n ASP 162 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1m4i s ILE 163 N -2.78 0.77 -0.26 0.53 -4.36 -1.26 -5.14 121.20 108.70 1m4i s ILE 163 Ca 0.28 -1.72 -0.04 0.00 -0.26 0.00 0.00 60.65 58.91 1m4i s ILE 163 Cb -0.15 -1.42 0.01 0.00 1.25 0.00 0.00 42.46 42.15 1m4i s ILE 163 CO 0.35 -0.69 -0.01 -0.55 0.24 0.00 0.00 174.94 174.27 1m4i s SER 164 N -2.64 4.58 -0.13 4.36 0.15 -1.26 -4.87 113.70 113.89 1m4i s SER 164 Ca 0.07 -0.71 -0.01 0.00 0.70 0.00 0.00 55.95 56.00 1m4i s SER 164 Cb 0.00 -1.75 -0.02 0.00 -1.71 0.00 0.00 66.02 62.54 1m4i s SER 164 CO -0.02 -0.12 -0.08 -0.76 1.20 0.00 0.00 173.24 173.45 1m4i s LEU 165 N 1.42 3.01 -0.65 3.45 1.43 -1.26 -5.06 118.68 121.02 1m4i s LEU 165 Ca 0.02 -0.20 -0.27 0.00 -1.03 0.00 0.00 54.13 52.66 1m4i s LEU 165 Cb -0.16 -1.70 0.03 0.00 0.03 0.00 0.00 46.19 44.40 1m4i s LEU 165 CO -0.02 0.20 1.20 -0.62 0.23 0.00 0.00 176.35 177.34 1m4i s ASP 166 N 0.17 6.31 0.00 2.29 2.15 -1.26 -4.86 116.67 121.48 1m4i s ASP 166 Ca -0.04 -0.21 0.14 0.00 0.43 0.00 0.00 52.55 52.87 1m4i s ASP 166 Cb -0.14 -2.54 0.83 0.00 -0.30 0.00 0.00 42.92 40.76 1m4i s ASP 166 CO 0.04 -1.60 1.36 0.35 -0.17 0.00 0.00 175.17 175.14 1m4i n THR 167 N 6.48 0.00 1.07 1.71 -2.24 -1.26 -1.72 114.28 118.33 1m4i n THR 167 Ca 0.05 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.95 1m4i n THR 167 Cb 0.49 -0.41 0.12 0.00 -2.10 0.00 0.00 70.33 68.43 1m4i n THR 167 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1m4i n SER 168 N -0.79 2.16 -4.68 3.42 3.41 -1.26 -0.53 113.62 115.35 1m4i n SER 168 Ca 0.10 -1.59 -0.28 0.00 -0.26 0.00 0.00 58.87 56.85 1m4i n SER 168 Cb 0.05 0.25 0.11 0.00 -0.26 0.00 0.00 64.21 64.36 1m4i n SER 168 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1m4i s ALA 169 N -2.30 2.73 0.42 7.33 0.00 -0.70 -3.95 121.76 125.29 1m4i s ALA 169 Ca 0.24 -0.94 -0.26 0.00 0.00 0.00 0.00 51.96 51.00 1m4i s ALA 169 Cb 0.19 -2.76 -0.09 0.00 0.00 0.00 0.00 23.12 20.46 1m4i s ALA 169 CO 0.46 -1.78 1.33 -2.00 0.00 0.00 0.00 175.76 173.77 1m4i s GLU 170 N -5.56 3.90 -0.06 0.00 2.56 -1.26 -4.00 118.70 114.28 1m4i s GLU 170 Ca 0.65 2.21 0.01 0.00 0.00 0.00 0.00 54.97 57.84 1m4i s GLU 170 Cb -0.09 -2.73 0.02 0.00 2.00 0.00 0.00 34.13 33.34 1m4i s GLU 170 CO 0.49 -0.57 -0.05 -1.17 -0.56 0.00 0.00 175.26 173.40 1m4i s LEU 171 N -2.51 1.21 -0.22 2.70 2.96 -0.80 -4.57 118.68 117.45 1m4i s LEU 171 Ca 0.58 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 54.35 1m4i s LEU 171 Cb -0.39 -0.52 0.04 0.00 0.50 0.00 0.00 46.19 45.82 1m4i s LEU 171 CO 0.50 -0.08 -0.15 -0.32 -1.32 0.00 0.00 176.35 174.98 1m4i s MET 172 N 1.16 2.62 0.59 1.98 -2.45 -0.63 -1.40 119.30 121.16 1m4i s MET 172 Ca -0.07 -1.09 -0.10 0.00 -1.25 0.00 0.00 55.69 53.18 1m4i s MET 172 Cb -0.14 -2.74 -0.04 0.00 1.25 0.00 0.00 34.83 33.16 1m4i s MET 172 CO -0.01 -0.39 0.98 0.00 1.05 0.00 0.00 175.02 176.64 1m4i s ASP 174 N -4.12 4.14 0.37 0.00 1.47 -1.04 -0.77 116.67 116.72 1m4i s ASP 174 Ca 0.54 1.11 -0.15 0.00 1.18 0.00 0.00 52.55 55.23 1m4i s ASP 174 Cb -0.11 -1.76 -0.09 0.00 -0.34 0.00 0.00 42.92 40.62 1m4i s ASP 174 CO 0.51 -2.17 0.79 0.86 0.68 0.00 0.00 175.17 175.84 1m4i s TRP 175 N -3.25 3.39 0.06 2.11 -0.11 -1.24 -4.73 118.94 115.16 1m4i s TRP 175 Ca 0.62 1.25 -0.27 0.00 1.22 0.00 0.00 56.10 58.91 1m4i s TRP 175 Cb -0.14 -2.57 0.09 0.00 -1.50 0.00 0.00 33.47 29.34 1m4i s TRP 175 CO 0.53 -0.01 0.94 -0.98 -4.62 0.00 0.00 176.95 172.82 1m4i s ARG 176 N -3.27 0.95 0.92 5.86 1.70 -1.26 -5.12 118.95 118.73 1m4i s ARG 176 Ca 0.55 -0.44 -0.12 0.00 -0.47 0.00 0.00 55.73 55.25 1m4i s ARG 176 Cb -0.10 0.37 0.14 0.00 -0.57 0.00 0.00 34.95 34.80 1m4i s ARG 176 CO 0.21 -0.42 1.09 0.00 -1.08 0.00 0.00 175.30 175.09 1m4i s ALA 177 N -3.14 1.39 0.00 7.88 0.00 -1.26 -4.69 121.76 121.95 1m4i s ALA 177 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.96 1m4i s ALA 177 Cb -0.01 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1m4i s ALA 177 CO -0.04 -2.48 0.00 0.41 0.00 0.00 0.00 175.76 173.65 1m4i n GLY 178 N -1.02 1.22 3.70 0.00 0.00 -1.26 -4.60 105.19 103.23 1m4i n GLY 178 Ca 0.07 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 1m4i n GLY 178 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1m4i s ASP 179 N -4.00 6.99 0.11 1.61 1.01 -1.26 -4.91 116.67 116.22 1m4i s ASP 179 Ca 0.00 2.01 -0.00 0.00 0.71 0.00 0.00 52.55 55.27 1m4i s ASP 179 Cb 0.00 -2.57 -0.17 0.00 1.01 0.00 0.00 42.92 41.19 1m4i s ASP 179 CO 0.00 -0.58 1.25 -0.37 0.21 0.00 0.00 175.17 175.68 1m4i h VAL 180 N 4.73 1.52 -0.03 -1.27 -1.51 -1.83 -3.48 116.25 114.38 1m4i h VAL 180 Ca -0.39 -2.93 0.00 0.00 -1.23 0.00 0.00 66.70 62.16 1m4i h VAL 180 Cb 1.19 2.73 0.00 0.00 -2.13 0.00 0.00 31.29 33.08 1m4i h VAL 180 CO 0.86 0.85 0.00 0.79 -1.23 0.00 0.00 177.57 178.84