#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5u s THR 4 N 0.00 3.05 -0.08 12.58 2.01 -1.26 -4.85 115.64 127.08 1s5u s THR 4 Ca 0.00 0.77 -0.30 0.00 0.31 0.00 0.00 61.69 62.47 1s5u s THR 4 Cb 0.00 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 1s5u s THR 4 CO 0.00 -0.03 1.35 -0.22 -0.69 0.00 0.00 174.62 175.03 1s5u s LEU 5 N -3.17 4.26 -0.16 4.42 2.96 -1.26 -4.78 118.68 120.95 1s5u s LEU 5 Ca 0.65 1.92 -0.13 0.00 -0.22 0.00 0.00 54.13 56.35 1s5u s LEU 5 Cb -0.29 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.81 1s5u s LEU 5 CO 0.34 -0.74 0.26 0.12 -1.32 0.00 0.00 176.35 175.01 1s5u s PHE 6 N 3.02 3.47 -0.12 5.38 5.36 0.03 -4.92 117.98 130.20 1s5u s PHE 6 Ca 0.60 0.56 -0.01 0.00 -0.96 0.00 0.00 56.93 57.12 1s5u s PHE 6 Cb -0.27 -2.28 -0.03 0.00 -0.34 0.00 0.00 43.02 40.10 1s5u s PHE 6 CO 0.22 0.29 -0.07 1.03 -1.46 0.00 0.00 175.22 175.23 1s5u s ARG 7 N 0.29 3.26 -0.10 10.12 0.52 -1.26 -0.33 118.95 131.45 1s5u s ARG 7 Ca 0.15 -0.57 -0.00 0.00 -0.52 0.00 0.00 55.73 54.79 1s5u s ARG 7 Cb -0.13 -2.73 0.02 0.00 0.52 0.00 0.00 34.95 32.64 1s5u s ARG 7 CO 0.03 0.40 -0.07 -0.46 0.02 0.00 0.00 175.30 175.21 1s5u s TRP 8 N -0.08 1.41 0.25 -0.53 -0.11 0.50 -4.95 118.94 115.42 1s5u s TRP 8 Ca 0.01 -0.66 -0.28 0.00 1.22 0.00 0.00 56.10 56.38 1s5u s TRP 8 Cb -0.13 -1.17 -0.09 0.00 -1.50 0.00 0.00 33.47 30.58 1s5u s TRP 8 CO 0.03 -0.47 0.91 -1.25 -4.62 0.00 0.00 176.95 171.55 1s5u s PRO 9 N 1.59 4.75 -0.03 5.86 0.04 -1.26 0.15 135.00 146.10 1s5u s PRO 9 Ca 0.02 1.40 -0.01 0.00 0.04 0.00 0.00 61.00 62.45 1s5u s PRO 9 Cb -0.13 -3.17 0.03 0.00 0.04 0.00 0.00 34.50 31.27 1s5u s PRO 9 CO -0.07 0.48 0.04 0.08 0.04 0.00 0.00 177.00 177.57 1s5u s VAL 10 N -1.27 -0.04 0.01 -0.36 1.01 -0.31 -4.94 120.40 114.50 1s5u s VAL 10 Ca 0.42 0.29 -0.17 0.00 0.00 0.00 0.00 61.98 62.52 1s5u s VAL 10 Cb -0.24 -0.15 -0.06 0.00 0.00 0.00 0.00 36.38 35.94 1s5u s VAL 10 CO 0.29 0.14 0.48 -0.60 0.00 0.00 0.00 175.10 175.41 1s5u s ARG 11 N 1.56 4.09 -0.18 2.72 6.06 -1.26 -0.04 118.95 131.91 1s5u s ARG 11 Ca -0.03 0.54 -0.22 0.00 -2.50 0.00 0.00 55.73 53.53 1s5u s ARG 11 Cb -0.13 -3.26 -0.02 0.00 0.06 0.00 0.00 34.95 31.60 1s5u s ARG 11 CO -0.03 0.58 0.66 0.08 -2.50 0.00 0.00 175.30 174.10 1s5u s VAL 12 N -0.80 5.00 0.42 7.11 1.01 -0.52 -4.98 120.40 127.64 1s5u s VAL 12 Ca 0.26 1.28 0.07 0.00 0.00 0.00 0.00 61.98 63.59 1s5u s VAL 12 Cb -0.17 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 1s5u s VAL 12 CO 0.15 0.12 0.16 -0.31 0.00 0.00 0.00 175.10 175.21 1s5u s TYR 13 N 1.81 2.56 0.30 5.22 2.02 -1.26 -1.45 117.35 126.56 1s5u s TYR 13 Ca 0.31 -0.61 0.06 0.00 -0.37 0.00 0.00 57.07 56.45 1s5u s TYR 13 Cb -0.16 -1.93 0.72 0.00 -0.40 0.00 0.00 41.96 40.20 1s5u s TYR 13 CO 0.11 0.21 1.79 1.88 -1.57 0.00 0.00 175.55 177.97 1s5u h TYR 14 N 1.46 1.07 -0.11 2.71 0.05 -1.97 -0.25 116.97 119.94 1s5u h TYR 14 Ca -0.43 0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.42 1s5u h TYR 14 Cb 1.25 -0.33 -0.00 0.00 1.01 0.00 0.00 36.73 38.66 1s5u h TYR 14 CO 0.67 0.26 0.17 1.05 -1.05 0.00 0.00 178.16 179.25 1s5u h GLU 15 N 0.79 0.00 0.00 4.88 4.11 -2.01 -1.83 114.58 120.51 1s5u h GLU 15 Ca 0.57 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.00 1s5u h GLU 15 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1s5u h GLU 15 CO -0.36 0.00 -1.09 -0.25 0.07 0.00 0.00 179.01 177.37 1s5u n ASP 16 N -3.54 0.70 -4.95 3.06 8.00 -0.11 -4.95 116.55 114.76 1s5u n ASP 16 Ca -0.00 0.19 -0.23 0.00 0.71 0.00 0.00 54.79 55.46 1s5u n ASP 16 Cb 0.26 0.66 0.02 0.00 -0.02 0.00 0.00 41.12 42.04 1s5u n ASP 16 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1s5u s THR 17 N -3.34 3.69 0.40 -3.53 -4.23 -0.69 -0.91 115.64 107.04 1s5u s THR 17 Ca -0.00 -0.41 0.04 0.00 -1.18 0.00 0.00 61.69 60.13 1s5u s THR 17 Cb 0.11 -3.39 -0.03 0.00 1.34 0.00 0.00 72.50 70.53 1s5u s THR 17 CO 0.80 -0.31 0.12 1.51 -0.54 0.00 0.00 174.62 176.20 1s5u s ASP 18 N -4.27 2.80 0.45 3.99 1.47 -0.34 -4.65 116.67 116.12 1s5u s ASP 18 Ca 0.51 -1.64 0.26 0.00 1.18 0.00 0.00 52.55 52.85 1s5u s ASP 18 Cb -0.10 0.45 1.40 0.00 -0.34 0.00 0.00 42.92 44.33 1s5u s ASP 18 CO 0.40 -0.90 1.76 0.00 0.68 0.00 0.00 175.17 177.11 1s5u h ALA 19 N 1.80 1.11 0.00 2.11 0.00 -1.99 -0.28 119.26 122.01 1s5u h ALA 19 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1s5u h ALA 19 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1s5u h ALA 19 CO 0.59 -0.11 0.00 0.41 0.00 0.00 0.00 179.25 180.14 1s5u n GLY 20 N -1.23 -1.11 1.38 0.00 0.00 -1.26 -4.87 105.19 98.09 1s5u n GLY 20 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1s5u n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s5u n GLY 21 N 0.67 0.71 3.41 -0.02 0.00 -0.11 -5.04 105.19 104.80 1s5u n GLY 21 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 1s5u n GLY 21 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1s5u s VAL 22 N -2.26 0.54 0.17 1.61 -7.23 -1.25 -4.59 120.40 107.39 1s5u s VAL 22 Ca 0.00 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.86 1s5u s VAL 22 Cb 0.00 -2.50 -0.09 0.00 0.56 0.00 0.00 36.38 34.35 1s5u s VAL 22 CO 0.00 0.00 1.39 -0.69 -0.31 0.00 0.00 175.10 175.49 1s5u s VAL 23 N -3.43 3.07 0.23 1.32 1.01 -0.63 -1.20 120.40 120.77 1s5u s VAL 23 Ca 0.32 0.82 -0.30 0.00 0.00 0.00 0.00 61.98 62.82 1s5u s VAL 23 Cb 0.05 -3.53 -0.10 0.00 0.00 0.00 0.00 36.38 32.80 1s5u s VAL 23 CO 0.16 0.10 1.45 -0.47 0.00 0.00 0.00 175.10 176.33 1s5u s TYR 24 N 0.59 3.04 0.46 5.22 5.04 -0.08 -4.84 117.35 126.78 1s5u s TYR 24 Ca 0.62 0.99 0.19 0.00 -2.44 0.00 0.00 57.07 56.43 1s5u s TYR 24 Cb -0.38 -3.82 1.16 0.00 0.35 0.00 0.00 41.96 39.27 1s5u s TYR 24 CO 0.35 -2.70 1.94 1.12 -1.34 0.00 0.00 175.55 174.92 1s5u h HIS 25 N 5.29 0.34 0.00 4.97 2.07 -1.93 0.11 115.15 126.00 1s5u h HIS 25 Ca -0.45 0.01 -0.01 0.00 -2.85 0.00 0.00 60.37 57.06 1s5u h HIS 25 Cb 1.22 -0.11 -0.00 0.00 2.57 0.00 0.00 27.41 31.09 1s5u h HIS 25 CO 0.61 0.13 -0.06 0.00 -3.07 0.00 0.00 177.93 175.54 1s5u h ALA 26 N 1.67 1.00 -0.43 6.11 0.00 -1.96 -2.87 119.26 122.79 1s5u h ALA 26 Ca 0.34 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 1s5u h ALA 26 Cb 0.92 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1s5u h ALA 26 CO -0.08 0.08 -0.12 0.77 0.00 0.00 0.00 179.25 179.89 1s5u h SER 27 N 0.00 0.77 -0.76 0.00 0.02 -1.09 -2.56 113.55 109.92 1s5u h SER 27 Ca -0.00 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.69 1s5u h SER 27 Cb 0.65 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.95 1s5u h SER 27 CO 0.01 0.91 0.38 1.88 -1.14 0.00 0.00 176.83 178.86 1s5u h TYR 28 N 0.70 1.10 -0.99 3.45 0.05 -1.53 -1.31 116.97 118.44 1s5u h TYR 28 Ca 0.12 -0.05 0.04 0.00 0.05 0.00 0.00 58.73 58.89 1s5u h TYR 28 Cb 0.60 -0.34 -0.06 0.00 1.01 0.00 0.00 36.73 37.94 1s5u h TYR 28 CO 0.03 0.80 0.65 0.28 -1.05 0.00 0.00 178.16 178.87 1s5u h VAL 29 N 1.10 1.17 -0.51 -2.88 2.07 -1.51 -0.38 116.25 115.31 1s5u h VAL 29 Ca 0.27 -0.43 -0.10 0.00 0.82 0.00 0.00 66.70 67.26 1s5u h VAL 29 Cb 0.10 -0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 29.66 1s5u h VAL 29 CO -0.03 0.23 -0.08 0.00 0.02 0.00 0.00 177.57 177.71 1s5u h ALA 30 N 1.41 0.69 -0.85 1.67 0.00 -1.11 -2.49 119.26 118.58 1s5u h ALA 30 Ca 0.40 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1s5u h ALA 30 Cb 0.01 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 1s5u h ALA 30 CO -0.13 0.57 0.55 0.74 0.00 0.00 0.00 179.25 180.98 1s5u h PHE 31 N 0.81 1.02 -0.89 0.00 0.04 -0.30 -1.30 116.94 116.32 1s5u h PHE 31 Ca 0.13 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.93 1s5u h PHE 31 Cb 0.63 -0.34 -0.04 0.00 2.20 0.00 0.00 35.95 38.40 1s5u h PHE 31 CO 0.05 0.59 0.55 1.88 -0.60 0.00 0.00 178.31 180.78 1s5u h TYR 32 N 1.06 1.16 -0.58 -0.55 0.05 -0.85 -1.77 116.97 115.51 1s5u h TYR 32 Ca 0.34 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 59.05 1s5u h TYR 32 Cb -0.00 -0.38 -0.02 0.00 1.01 0.00 0.00 36.73 37.33 1s5u h TYR 32 CO -0.02 0.76 0.10 1.49 -1.05 0.00 0.00 178.16 179.44 1s5u h GLU 33 N 1.23 0.95 -0.67 4.88 4.22 -0.84 -1.64 114.58 122.71 1s5u h GLU 33 Ca 0.32 -0.25 0.01 0.00 0.08 0.00 0.00 59.36 59.52 1s5u h GLU 33 Cb -0.07 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.03 1s5u h GLU 33 CO -0.06 0.91 0.43 0.00 -2.18 0.00 0.00 179.01 178.11 1s5u h ARG 34 N 0.85 0.85 -0.79 1.92 3.08 -0.78 -1.24 114.38 118.26 1s5u h ARG 34 Ca 0.18 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 1s5u h ARG 34 Cb 0.41 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1s5u h ARG 34 CO 0.01 0.56 0.31 0.00 -1.07 0.00 0.00 179.97 179.78 1s5u h ALA 35 N 1.26 1.05 -0.44 0.04 0.00 -1.02 0.75 119.26 120.91 1s5u h ALA 35 Ca 0.25 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1s5u h ALA 35 Cb -0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1s5u h ALA 35 CO -0.07 0.67 0.11 0.00 0.00 0.00 0.00 179.25 179.96 1s5u h ARG 36 N 1.15 0.69 -0.56 0.00 3.08 -0.93 0.11 114.38 117.92 1s5u h ARG 36 Ca 0.26 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 60.16 1s5u h ARG 36 Cb 0.23 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 1s5u h ARG 36 CO -0.02 0.69 0.37 1.15 -1.07 0.00 0.00 179.97 181.09 1s5u h THR 37 N 0.57 1.13 0.00 2.04 2.02 -0.84 -1.37 112.91 116.47 1s5u h THR 37 Ca 0.14 -0.26 -0.11 0.00 0.77 0.00 0.00 66.41 66.95 1s5u h THR 37 Cb 0.31 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 1s5u h THR 37 CO 0.00 0.14 -0.55 -0.33 0.37 0.00 0.00 175.52 175.15 1s5u h GLU 38 N 0.75 0.00 -0.33 6.66 4.39 -0.60 -1.66 114.58 123.79 1s5u h GLU 38 Ca 0.21 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.83 1s5u h GLU 38 Cb -0.07 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1s5u h GLU 38 CO -0.05 0.55 -0.10 1.98 -1.16 0.00 0.00 179.01 180.23 1s5u h MET 39 N 0.00 0.64 -0.81 2.33 4.05 -0.39 -0.61 114.93 120.14 1s5u h MET 39 Ca -0.01 -0.25 -0.03 0.00 -0.28 0.00 0.00 59.70 59.13 1s5u h MET 39 Cb 0.99 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.72 1s5u h MET 39 CO 0.07 0.83 0.39 -0.07 0.23 0.00 0.00 176.91 178.36 1s5u h LEU 40 N 0.42 1.04 -0.73 3.39 3.38 -1.09 -1.13 115.31 120.58 1s5u h LEU 40 Ca 0.08 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1s5u h LEU 40 Cb 0.60 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1s5u h LEU 40 CO 0.04 0.88 0.29 -0.09 0.09 0.00 0.00 178.44 179.64 1s5u h ARG 41 N 1.15 1.10 -0.63 1.13 2.43 -1.09 0.40 114.38 118.88 1s5u h ARG 41 Ca 0.28 -0.21 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1s5u h ARG 41 Cb 0.10 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 1s5u h ARG 41 CO -0.04 0.91 0.42 1.25 -1.51 0.00 0.00 179.97 181.00 1s5u h HIS 42 N 1.06 0.79 -0.62 2.20 2.76 -0.27 -1.23 115.15 119.84 1s5u h HIS 42 Ca 0.24 0.02 -0.28 0.00 -2.20 0.00 0.00 60.37 58.15 1s5u h HIS 42 Cb 0.22 -0.27 -0.17 0.00 1.55 0.00 0.00 27.41 28.75 1s5u h HIS 42 CO 0.02 0.49 0.36 0.72 -1.30 0.00 0.00 177.93 178.22 1s5u n HIS 43 N -4.44 1.94 -2.46 5.26 8.25 -0.51 -4.88 115.22 118.38 1s5u n HIS 43 Ca 0.06 -1.23 -0.13 0.00 -0.26 0.00 0.00 57.72 56.17 1s5u n HIS 43 Cb 0.04 -0.65 0.01 0.00 1.12 0.00 0.00 29.99 30.51 1s5u n HIS 43 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1s5u n HIS 44 N -0.40 -0.86 -3.34 4.41 -0.00 -0.47 -4.99 115.22 109.57 1s5u n HIS 44 Ca 0.36 0.15 -0.26 0.00 -0.00 0.00 0.00 57.72 57.97 1s5u n HIS 44 Cb 1.22 -2.91 -0.08 0.00 -0.00 0.00 0.00 29.99 28.21 1s5u n HIS 44 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1s5u n PHE 45 N -4.00 0.99 -1.31 4.41 3.72 0.13 -4.94 117.46 116.46 1s5u n PHE 45 Ca -0.11 -3.75 -0.29 0.00 -0.05 0.00 0.00 57.45 53.25 1s5u n PHE 45 Cb 0.59 -0.34 0.18 0.00 -0.94 0.00 0.00 39.48 38.97 1s5u n PHE 45 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1s5u s SER 46 N -1.40 2.55 0.40 4.37 1.04 -1.26 -3.47 113.70 115.92 1s5u s SER 46 Ca 0.35 0.93 0.07 0.00 0.48 0.00 0.00 55.95 57.78 1s5u s SER 46 Cb 0.13 -1.45 0.82 0.00 0.10 0.00 0.00 66.02 65.62 1s5u s SER 46 CO -0.10 -3.15 2.04 1.56 0.98 0.00 0.00 173.24 174.57 1s5u h GLN 47 N -1.91 0.60 -0.23 4.02 1.08 -1.97 -1.12 115.11 115.59 1s5u h GLN 47 Ca -0.51 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 56.66 1s5u h GLN 47 Cb 1.32 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.60 1s5u h GLN 47 CO 0.53 0.40 0.15 0.37 -0.95 0.00 0.00 178.83 179.33 1s5u h GLN 48 N 0.62 0.30 -0.75 1.46 4.15 -1.99 0.12 115.11 119.02 1s5u h GLN 48 Ca 0.19 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.55 1s5u h GLN 48 Cb 0.01 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 1s5u h GLN 48 CO -0.05 0.20 0.30 0.00 -1.93 0.00 0.00 178.83 177.35 1s5u h ALA 49 N 1.09 0.98 -0.45 3.38 0.00 -1.69 -1.48 119.26 121.07 1s5u h ALA 49 Ca 0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1s5u h ALA 49 Cb -0.03 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1s5u h ALA 49 CO -0.02 0.60 0.20 -0.07 0.00 0.00 0.00 179.25 179.96 1s5u h LEU 50 N 1.08 0.61 -1.41 0.00 3.38 -0.83 -1.85 115.31 116.30 1s5u h LEU 50 Ca 0.25 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1s5u h LEU 50 Cb 0.22 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1s5u h LEU 50 CO -0.02 0.59 -0.17 0.24 0.09 0.00 0.00 178.44 179.17 1s5u h MET 51 N 0.59 0.17 -0.51 1.13 2.86 -0.75 -1.67 114.93 116.76 1s5u h MET 51 Ca 0.15 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.68 1s5u h MET 51 Cb 0.15 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 1s5u h MET 51 CO -0.02 0.35 0.03 0.00 1.06 0.00 0.00 176.91 178.34 1s5u h ALA 52 N 1.66 1.11 -0.00 6.32 0.00 -0.63 -0.13 119.26 127.58 1s5u h ALA 52 Ca 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1s5u h ALA 52 Cb 0.41 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1s5u h ALA 52 CO 0.03 0.57 -0.01 0.39 0.00 0.00 0.00 179.25 180.23 1s5u n GLU 53 N -4.23 0.59 -3.56 0.00 -0.58 -0.73 -4.90 120.64 107.23 1s5u n GLU 53 Ca 0.03 -0.03 -0.22 0.00 -0.42 0.00 0.00 57.16 56.52 1s5u n GLU 53 Cb 0.29 -1.50 0.08 0.00 -0.57 0.00 0.00 31.44 29.74 1s5u n GLU 53 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1s5u n ARG 54 N -1.18 -7.57 -4.29 3.49 1.74 -0.06 -5.01 116.66 103.78 1s5u n ARG 54 Ca 0.17 0.83 -0.16 0.00 -0.77 0.00 0.00 57.85 57.91 1s5u n ARG 54 Cb 0.22 -5.87 -0.10 0.00 -1.02 0.00 0.00 32.46 25.68 1s5u n ARG 54 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1s5u s VAL 55 N -3.33 1.43 0.08 1.55 -7.23 -0.74 -4.31 120.40 107.84 1s5u s VAL 55 Ca 0.43 -2.12 -0.07 0.00 -1.81 0.00 0.00 61.98 58.41 1s5u s VAL 55 Cb -0.19 -1.92 -0.01 0.00 0.56 0.00 0.00 36.38 34.82 1s5u s VAL 55 CO 0.73 -0.67 0.15 0.00 -0.31 0.00 0.00 175.10 175.00 1s5u s ALA 56 N -3.13 -0.10 -0.04 1.32 0.00 -0.56 -4.27 121.76 114.97 1s5u s ALA 56 Ca 0.19 -0.72 0.07 0.00 0.00 0.00 0.00 51.96 51.50 1s5u s ALA 56 Cb 0.01 0.45 -0.02 0.00 0.00 0.00 0.00 23.12 23.56 1s5u s ALA 56 CO 0.03 -0.48 -0.25 -0.06 0.00 0.00 0.00 175.76 175.00 1s5u s PHE 57 N -3.87 2.41 0.07 0.00 0.08 -1.26 -0.72 117.98 114.69 1s5u s PHE 57 Ca 0.05 -0.58 0.06 0.00 0.12 0.00 0.00 56.93 56.58 1s5u s PHE 57 Cb 0.05 -1.56 -0.03 0.00 -0.57 0.00 0.00 43.02 40.91 1s5u s PHE 57 CO -0.11 -0.13 -0.17 0.14 -0.10 0.00 0.00 175.22 174.85 1s5u s VAL 58 N -0.36 1.40 -0.20 -0.44 -7.23 -0.50 -4.95 120.40 108.10 1s5u s VAL 58 Ca 0.03 -1.27 -0.28 0.00 -1.81 0.00 0.00 61.98 58.65 1s5u s VAL 58 Cb -0.12 -1.27 -0.00 0.00 0.56 0.00 0.00 36.38 35.55 1s5u s VAL 58 CO 0.02 -0.03 0.96 -0.69 -0.31 0.00 0.00 175.10 175.05 1s5u s VAL 59 N -1.03 4.76 -0.18 1.32 1.01 -1.26 -0.69 120.40 124.33 1s5u s VAL 59 Ca 0.03 1.89 -0.01 0.00 0.00 0.00 0.00 61.98 63.89 1s5u s VAL 59 Cb -0.09 -4.25 -0.22 0.00 0.00 0.00 0.00 36.38 31.82 1s5u s VAL 59 CO 0.02 -0.09 0.12 -1.14 0.00 0.00 0.00 175.10 174.01 1s5u n ARG 60 N 5.83 0.71 -3.72 2.72 3.00 0.20 -4.95 116.66 120.45 1s5u n ARG 60 Ca 0.09 0.21 -0.13 0.00 -0.00 0.00 0.00 57.85 58.02 1s5u n ARG 60 Cb 0.47 -1.63 -0.10 0.00 0.00 0.00 0.00 32.46 31.20 1s5u n ARG 60 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1s5u s LYS 61 N -2.54 0.48 -0.07 -0.14 2.20 -1.11 -5.00 119.74 113.56 1s5u s LYS 61 Ca -0.26 0.62 -0.03 0.00 -0.36 0.00 0.00 55.97 55.93 1s5u s LYS 61 Cb 0.08 0.20 0.03 0.00 -1.51 0.00 0.00 37.83 36.63 1s5u s LYS 61 CO 0.70 -0.07 0.15 1.41 -0.36 0.00 0.00 175.35 177.18 1s5u s MET 62 N 0.41 0.11 -0.08 4.03 1.75 -1.26 -0.03 119.30 124.23 1s5u s MET 62 Ca -0.02 0.34 0.03 0.00 -1.25 0.00 0.00 55.69 54.80 1s5u s MET 62 Cb -0.04 -0.12 0.01 0.00 2.84 0.00 0.00 34.83 37.52 1s5u s MET 62 CO -0.02 -0.13 -0.18 0.99 -0.65 0.00 0.00 175.02 175.03 1s5u s THR 63 N 0.94 1.58 -0.04 10.11 2.01 -0.49 -4.99 115.64 124.76 1s5u s THR 63 Ca -0.07 -0.75 0.03 0.00 0.31 0.00 0.00 61.69 61.21 1s5u s THR 63 Cb -0.09 -1.39 0.00 0.00 0.01 0.00 0.00 72.50 71.03 1s5u s THR 63 CO -0.05 0.45 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.53 1s5u s VAL 64 N 0.44 1.03 -0.14 3.82 1.01 -1.26 -1.20 120.40 124.10 1s5u s VAL 64 Ca -0.15 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1s5u s VAL 64 Cb -0.16 -0.92 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 1s5u s VAL 64 CO 0.06 0.32 -0.14 -1.61 0.00 0.00 0.00 175.10 173.72 1s5u s GLU 65 N 0.28 3.31 -0.19 2.72 2.02 0.17 -4.98 118.70 122.03 1s5u s GLU 65 Ca -0.06 -0.71 -0.07 0.00 0.02 0.00 0.00 54.97 54.15 1s5u s GLU 65 Cb -0.11 -2.63 -0.04 0.00 0.10 0.00 0.00 34.13 31.45 1s5u s GLU 65 CO 0.02 0.13 0.04 0.71 0.02 0.00 0.00 175.26 176.17 1s5u s TYR 66 N 0.56 3.17 -0.05 1.61 2.02 -1.26 -1.29 117.35 122.10 1s5u s TYR 66 Ca -0.09 -0.10 -0.01 0.00 -0.37 0.00 0.00 57.07 56.50 1s5u s TYR 66 Cb -0.16 -2.08 -0.03 0.00 -0.40 0.00 0.00 41.96 39.29 1s5u s TYR 66 CO 0.04 0.01 -0.06 0.66 -1.57 0.00 0.00 175.55 174.63 1s5u n TYR 67 N 3.81 0.00 -3.91 2.71 4.01 0.13 -4.98 117.16 118.92 1s5u n TYR 67 Ca -0.17 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.47 1s5u n TYR 67 Cb 0.52 -0.20 -0.09 0.00 -0.31 0.00 0.00 39.34 39.25 1s5u n TYR 67 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1s5u s ALA 68 N -2.10 -0.15 0.53 -0.72 0.00 -0.50 -5.02 121.76 113.79 1s5u s ALA 68 Ca -0.07 -0.42 -0.06 0.00 0.00 0.00 0.00 51.96 51.40 1s5u s ALA 68 Cb 0.02 0.21 -0.02 0.00 0.00 0.00 0.00 23.12 23.33 1s5u s ALA 68 CO 0.11 -0.29 0.85 -1.25 0.00 0.00 0.00 175.76 175.19 1s5u s PRO 69 N -2.23 3.36 0.16 0.00 0.04 -1.26 -4.53 135.00 130.54 1s5u s PRO 69 Ca -0.08 0.21 0.10 0.00 0.04 0.00 0.00 61.00 61.27 1s5u s PRO 69 Cb -0.03 -2.31 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 1s5u s PRO 69 CO -0.03 -0.40 -0.18 0.00 0.04 0.00 0.00 177.00 176.43 1s5u s ALA 70 N -2.87 2.68 0.31 8.56 0.00 -1.26 -5.00 121.76 124.18 1s5u s ALA 70 Ca 0.50 -1.48 0.03 0.00 0.00 0.00 0.00 51.96 51.02 1s5u s ALA 70 Cb -0.10 -0.56 -0.06 0.00 0.00 0.00 0.00 23.12 22.40 1s5u s ALA 70 CO 0.46 0.51 0.07 1.03 0.00 0.00 0.00 175.76 177.83 1s5u s ARG 71 N -2.47 1.61 0.20 0.00 0.52 -1.26 -1.61 118.95 115.94 1s5u s ARG 71 Ca 0.20 -1.89 -0.32 0.00 -0.52 0.00 0.00 55.73 53.20 1s5u s ARG 71 Cb -0.09 -0.74 -0.15 0.00 0.52 0.00 0.00 34.95 34.49 1s5u s ARG 71 CO 0.11 -0.22 1.13 -0.11 0.02 0.00 0.00 175.30 176.23 1s5u n LEU 72 N -0.65 1.57 0.00 2.53 7.94 -1.26 -1.51 117.00 125.62 1s5u n LEU 72 Ca -0.02 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.03 1s5u n LEU 72 Cb 0.66 -1.23 0.00 0.00 0.53 0.00 0.00 43.42 43.38 1s5u n LEU 72 CO 0.41 -1.33 0.00 0.47 -1.11 0.00 0.00 177.39 175.83 1s5u n ASP 73 N 1.87 0.00 -4.77 1.96 8.00 -0.53 -5.01 116.55 118.08 1s5u n ASP 73 Ca 0.14 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.24 1s5u n ASP 73 Cb 0.26 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.35 1s5u n ASP 73 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1s5u s ASP 74 N -3.81 6.42 -0.30 -2.24 1.01 -0.57 -4.70 116.67 112.49 1s5u s ASP 74 Ca 0.00 2.76 -0.10 0.00 0.71 0.00 0.00 52.55 55.92 1s5u s ASP 74 Cb 0.00 -2.65 -0.02 0.00 1.01 0.00 0.00 42.92 41.26 1s5u s ASP 74 CO 0.00 -0.78 0.17 -0.32 0.21 0.00 0.00 175.17 174.45 1s5u s MET 75 N -2.09 3.57 0.42 8.23 -2.45 -1.26 -1.44 119.30 124.28 1s5u s MET 75 Ca 0.54 -0.57 0.08 0.00 -1.25 0.00 0.00 55.69 54.49 1s5u s MET 75 Cb -0.41 -3.62 -0.01 0.00 1.25 0.00 0.00 34.83 32.05 1s5u s MET 75 CO 0.53 -0.33 0.47 -0.51 1.05 0.00 0.00 175.02 176.23 1s5u s LEU 76 N 1.68 3.52 -0.08 4.11 1.43 0.95 -3.36 118.68 126.94 1s5u s LEU 76 Ca 0.06 -0.59 -0.00 0.00 -1.03 0.00 0.00 54.13 52.57 1s5u s LEU 76 Cb -0.17 -2.35 0.02 0.00 0.03 0.00 0.00 46.19 43.73 1s5u s LEU 76 CO 0.08 -0.71 -0.04 -0.70 0.23 0.00 0.00 176.35 175.22 1s5u s GLU 77 N -4.24 1.00 -0.19 1.70 2.12 -0.40 -1.16 118.70 117.53 1s5u s GLU 77 Ca 0.51 -0.09 -0.12 0.00 0.36 0.00 0.00 54.97 55.63 1s5u s GLU 77 Cb -0.07 -1.14 -0.05 0.00 0.26 0.00 0.00 34.13 33.14 1s5u s GLU 77 CO 0.30 -0.21 0.24 0.42 -0.54 0.00 0.00 175.26 175.47 1s5u s ILE 78 N 1.52 5.33 -0.14 -3.70 -1.09 0.12 -1.77 121.20 121.48 1s5u s ILE 78 Ca -0.01 0.41 -0.04 0.00 -2.23 0.00 0.00 60.65 58.79 1s5u s ILE 78 Cb -0.13 -3.58 -0.03 0.00 -1.58 0.00 0.00 42.46 37.14 1s5u s ILE 78 CO -0.04 0.39 -0.02 -1.10 -1.23 0.00 0.00 174.94 172.93 1s5u s GLN 79 N 0.59 3.55 0.00 2.79 -0.21 0.20 -0.37 119.66 126.21 1s5u s GLN 79 Ca 0.13 -0.48 0.01 0.00 0.02 0.00 0.00 55.36 55.04 1s5u s GLN 79 Cb -0.13 -2.91 -0.01 0.00 1.00 0.00 0.00 33.01 30.97 1s5u s GLN 79 CO 0.02 0.34 -0.04 0.99 -2.12 0.00 0.00 175.29 174.49 1s5u s THR 80 N 0.09 0.32 -0.04 -0.19 2.01 0.56 -1.65 115.64 116.74 1s5u s THR 80 Ca 0.00 -0.26 -0.22 0.00 0.31 0.00 0.00 61.69 61.52 1s5u s THR 80 Cb -0.13 -0.29 0.05 0.00 0.01 0.00 0.00 72.50 72.13 1s5u s THR 80 CO 0.02 0.03 0.49 -1.83 -0.69 0.00 0.00 174.62 172.65 1s5u s GLU 81 N -0.25 0.84 -0.21 4.92 -1.05 -0.94 -0.79 118.70 121.21 1s5u s GLU 81 Ca 0.00 0.08 -0.16 0.00 -0.15 0.00 0.00 54.97 54.74 1s5u s GLU 81 Cb -0.02 0.39 -0.04 0.00 -0.44 0.00 0.00 34.13 34.01 1s5u s GLU 81 CO -0.00 -0.24 0.40 0.42 0.95 0.00 0.00 175.26 176.78 1s5u s ILE 82 N -1.14 5.19 -0.51 1.83 1.01 -1.26 -0.63 121.20 125.69 1s5u s ILE 82 Ca -0.11 0.69 0.12 0.00 0.00 0.00 0.00 60.65 61.35 1s5u s ILE 82 Cb -0.03 -3.73 -0.14 0.00 0.01 0.00 0.00 42.46 38.57 1s5u s ILE 82 CO 0.07 0.24 0.50 0.35 0.00 0.00 0.00 174.94 176.09 1s5u n THR 83 N 4.45 0.00 -3.65 2.92 -2.24 -0.30 -3.80 114.28 111.65 1s5u n THR 83 Ca -0.08 -0.22 -0.15 0.00 -2.27 0.00 0.00 64.05 61.33 1s5u n THR 83 Cb 0.51 0.90 -0.08 0.00 -2.10 0.00 0.00 70.33 69.56 1s5u n THR 83 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1s5u s SER 84 N -2.35 -0.46 -0.16 3.42 0.01 -1.22 -4.97 113.70 107.98 1s5u s SER 84 Ca 0.03 0.56 -0.06 0.00 1.31 0.00 0.00 55.95 57.79 1s5u s SER 84 Cb 0.09 0.58 0.07 0.00 0.21 0.00 0.00 66.02 66.98 1s5u s SER 84 CO 0.51 -0.45 0.34 -0.32 0.41 0.00 0.00 173.24 173.73 1s5u s MET 85 N -0.90 0.24 0.00 12.44 1.75 -1.26 -0.81 119.30 130.76 1s5u s MET 85 Ca -0.09 0.86 0.00 0.00 -1.25 0.00 0.00 55.69 55.20 1s5u s MET 85 Cb -0.03 0.11 0.00 0.00 2.84 0.00 0.00 34.83 37.75 1s5u s MET 85 CO 0.06 -0.25 0.00 0.54 -0.65 0.00 0.00 175.02 174.71 1s5u n ARG 86 N 5.19 3.78 -0.00 4.11 1.74 0.11 -5.01 116.66 126.58 1s5u n ARG 86 Ca -0.10 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.87 1s5u n ARG 86 Cb 0.50 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.89 1s5u n ARG 86 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1s5u h GLY 87 N 0.00 0.14 -0.00 -0.13 0.00 -2.00 -3.35 103.07 97.73 1s5u h GLY 87 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1s5u h GLY 87 CO 0.00 0.05 -0.00 -1.30 0.00 0.00 0.00 176.54 175.29 1s5u n THR 88 N -5.01 0.82 -4.01 4.70 -2.24 -1.26 -1.38 114.28 105.90 1s5u n THR 88 Ca -0.05 -0.82 -0.10 0.00 -2.27 0.00 0.00 64.05 60.81 1s5u n THR 88 Cb 0.04 0.59 -0.07 0.00 -2.10 0.00 0.00 70.33 68.78 1s5u n THR 88 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1s5u s SER 89 N -0.82 0.05 -0.00 3.42 1.04 -1.26 -0.19 113.70 115.94 1s5u s SER 89 Ca 0.00 -0.97 -0.08 0.00 0.48 0.00 0.00 55.95 55.38 1s5u s SER 89 Cb 0.00 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1s5u s SER 89 CO 0.00 -0.92 0.16 -1.48 0.98 0.00 0.00 173.24 171.98 1s5u s LEU 90 N -3.01 1.47 -0.18 2.42 2.34 -0.18 -0.71 118.68 120.83 1s5u s LEU 90 Ca 0.21 -0.14 -0.05 0.00 0.06 0.00 0.00 54.13 54.22 1s5u s LEU 90 Cb 0.03 0.73 -0.03 0.00 -0.56 0.00 0.00 46.19 46.36 1s5u s LEU 90 CO 0.03 -0.35 -0.01 -0.69 -1.06 0.00 0.00 176.35 174.26 1s5u s VAL 91 N -1.26 3.96 -0.18 1.48 1.01 0.01 -0.81 120.40 124.60 1s5u s VAL 91 Ca -0.13 -0.32 -0.07 0.00 0.00 0.00 0.00 61.98 61.45 1s5u s VAL 91 Cb -0.07 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 1s5u s VAL 91 CO 0.02 0.46 0.06 -0.36 0.00 0.00 0.00 175.10 175.28 1s5u s PHE 92 N 0.69 3.24 -0.25 5.22 0.08 0.06 -1.15 117.98 125.87 1s5u s PHE 92 Ca -0.01 0.05 -0.07 0.00 0.12 0.00 0.00 56.93 57.02 1s5u s PHE 92 Cb -0.14 -2.08 -0.02 0.00 -0.57 0.00 0.00 43.02 40.21 1s5u s PHE 92 CO 0.02 0.13 0.05 0.99 -0.10 0.00 0.00 175.22 176.31 1s5u s THR 93 N 0.42 4.07 0.16 0.64 2.01 0.20 -1.03 115.64 122.11 1s5u s THR 93 Ca 0.03 -0.30 0.05 0.00 0.31 0.00 0.00 61.69 61.77 1s5u s THR 93 Cb -0.13 -2.92 -0.05 0.00 0.01 0.00 0.00 72.50 69.42 1s5u s THR 93 CO 0.00 0.32 -0.09 -1.10 -0.69 0.00 0.00 174.62 173.07 1s5u s GLN 94 N 1.57 1.11 0.06 4.92 -0.21 -0.34 -2.22 119.66 124.55 1s5u s GLN 94 Ca 0.06 -1.49 -0.18 0.00 0.02 0.00 0.00 55.36 53.77 1s5u s GLN 94 Cb -0.15 -0.65 0.04 0.00 1.00 0.00 0.00 33.01 33.25 1s5u s GLN 94 CO 0.02 0.06 0.42 -0.98 -2.12 0.00 0.00 175.29 172.68 1s5u s ARG 95 N -3.76 0.95 -0.09 2.91 1.70 -0.66 -0.68 118.95 119.32 1s5u s ARG 95 Ca 0.18 -0.42 0.03 0.00 -0.47 0.00 0.00 55.73 55.06 1s5u s ARG 95 Cb 0.03 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.84 1s5u s ARG 95 CO 0.02 -0.34 -0.21 0.42 -1.08 0.00 0.00 175.30 174.12 1s5u s ILE 96 N -2.71 1.80 0.20 4.99 1.01 0.13 -0.63 121.20 126.00 1s5u s ILE 96 Ca -0.04 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 59.79 1s5u s ILE 96 Cb -0.00 -1.57 -0.05 0.00 0.01 0.00 0.00 42.46 40.84 1s5u s ILE 96 CO -0.04 0.50 -0.05 0.68 0.00 0.00 0.00 174.94 176.03 1s5u s VAL 97 N 0.46 1.19 0.21 2.92 -7.23 -0.73 -0.78 120.40 116.44 1s5u s VAL 97 Ca -0.17 -2.07 0.03 0.00 -1.81 0.00 0.00 61.98 57.97 1s5u s VAL 97 Cb -0.17 -2.16 0.04 0.00 0.56 0.00 0.00 36.38 34.64 1s5u s VAL 97 CO 0.07 -0.49 0.29 -0.46 -0.31 0.00 0.00 175.10 174.20 1s5u n ASN 98 N -0.35 0.76 0.02 4.85 0.23 -1.02 -1.28 115.26 118.47 1s5u n ASN 98 Ca -0.07 -1.55 0.02 0.00 -0.53 0.00 0.00 54.58 52.45 1s5u n ASN 98 Cb 0.62 -0.16 0.10 0.00 -2.08 0.00 0.00 39.78 38.27 1s5u n ASN 98 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1s5u n ALA 99 N -2.76 1.07 0.42 -2.53 0.00 -1.21 -0.68 120.51 114.81 1s5u n ALA 99 Ca -0.05 0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.49 1s5u n ALA 99 Cb 0.22 -1.06 0.10 0.00 0.00 0.00 0.00 19.45 18.71 1s5u n ALA 99 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1s5u n GLU 100 N -1.59 1.52 -1.43 0.00 4.71 -1.26 -4.96 120.64 117.62 1s5u n GLU 100 Ca 0.00 -1.61 -0.08 0.00 -0.01 0.00 0.00 57.16 55.47 1s5u n GLU 100 Cb 0.02 -1.31 -0.03 0.00 -1.01 0.00 0.00 31.44 29.12 1s5u n GLU 100 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1s5u n ASN 101 N 0.86 -3.65 -4.75 1.62 5.15 0.15 -5.01 115.26 109.63 1s5u n ASN 101 Ca 0.11 0.14 -0.41 0.00 -0.60 0.00 0.00 54.58 53.82 1s5u n ASN 101 Cb 0.41 -2.08 -0.03 0.00 -0.53 0.00 0.00 39.78 37.55 1s5u n ASN 101 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1s5u s THR 102 N -2.30 3.19 -0.37 -0.44 2.01 -1.26 -4.78 115.64 111.69 1s5u s THR 102 Ca 0.00 1.09 -0.28 0.00 0.31 0.00 0.00 61.69 62.81 1s5u s THR 102 Cb 0.00 -3.69 0.02 0.00 0.01 0.00 0.00 72.50 68.84 1s5u s THR 102 CO 0.00 0.22 1.03 -0.22 -0.69 0.00 0.00 174.62 174.96 1s5u s LEU 103 N -0.94 3.90 -0.11 4.42 2.96 -1.26 -2.42 118.68 125.23 1s5u s LEU 103 Ca 0.51 0.76 -0.18 0.00 -0.22 0.00 0.00 54.13 55.00 1s5u s LEU 103 Cb -0.36 -3.44 -0.27 0.00 0.50 0.00 0.00 46.19 42.63 1s5u s LEU 103 CO 0.43 -0.94 0.58 -0.07 -1.32 0.00 0.00 176.35 175.02 1s5u h LEU 104 N 10.29 0.31 -7.29 -0.68 3.38 -1.19 -3.34 115.31 116.80 1s5u h LEU 104 Ca -0.22 -0.84 0.12 0.00 0.09 0.00 0.00 57.88 57.04 1s5u h LEU 104 Cb 1.07 -0.10 -0.12 0.00 0.09 0.00 0.00 40.66 41.60 1s5u h LEU 104 CO 1.03 1.52 0.46 0.54 0.09 0.00 0.00 178.44 182.08 1s5u s ASN 105 N -6.93 -0.31 0.04 -0.43 4.22 -1.16 0.18 114.94 110.56 1s5u s ASN 105 Ca -0.20 -0.17 -0.00 0.00 -2.14 0.00 0.00 52.86 50.34 1s5u s ASN 105 Cb 0.03 0.45 -0.03 0.00 1.28 0.00 0.00 41.25 42.99 1s5u s ASN 105 CO 0.75 -0.78 -0.04 -1.83 -2.04 0.00 0.00 177.10 173.16 1s5u s GLU 106 N -3.26 0.49 0.04 3.55 -1.05 -0.41 -0.69 118.70 117.37 1s5u s GLU 106 Ca 0.08 -0.91 -0.06 0.00 -0.15 0.00 0.00 54.97 53.93 1s5u s GLU 106 Cb -0.01 0.08 -0.01 0.00 -0.44 0.00 0.00 34.13 33.75 1s5u s GLU 106 CO -0.05 -0.06 0.10 0.00 0.95 0.00 0.00 175.26 176.20 1s5u s ALA 107 N -2.56 -0.07 -0.12 -0.84 0.00 0.14 -0.65 121.76 117.66 1s5u s ALA 107 Ca -0.04 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.36 1s5u s ALA 107 Cb -0.02 0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.38 1s5u s ALA 107 CO -0.05 -0.32 -0.11 -2.00 0.00 0.00 0.00 175.76 173.28 1s5u s GLU 108 N -2.65 1.87 -0.18 0.00 2.12 -0.34 -1.20 118.70 118.31 1s5u s GLU 108 Ca -0.05 -0.39 0.01 0.00 0.36 0.00 0.00 54.97 54.90 1s5u s GLU 108 Cb -0.01 -1.78 0.03 0.00 0.26 0.00 0.00 34.13 32.62 1s5u s GLU 108 CO -0.05 -0.22 -0.16 0.08 -0.54 0.00 0.00 175.26 174.37 1s5u s VAL 109 N 1.51 1.83 -0.31 3.70 1.01 -0.20 -1.40 120.40 126.54 1s5u s VAL 109 Ca 0.03 -0.90 -0.20 0.00 0.00 0.00 0.00 61.98 60.91 1s5u s VAL 109 Cb -0.13 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 1s5u s VAL 109 CO -0.08 0.41 0.63 -0.22 0.00 0.00 0.00 175.10 175.83 1s5u s LEU 110 N 1.36 4.17 -0.09 3.92 2.96 0.95 -0.76 118.68 131.19 1s5u s LEU 110 Ca 0.03 0.37 0.01 0.00 -0.22 0.00 0.00 54.13 54.32 1s5u s LEU 110 Cb -0.14 -2.80 -0.03 0.00 0.50 0.00 0.00 46.19 43.72 1s5u s LEU 110 CO -0.11 -0.49 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.64 1s5u s VAL 111 N 2.61 3.41 -0.06 1.68 1.01 0.01 -0.62 120.40 128.45 1s5u s VAL 111 Ca 0.25 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.69 1s5u s VAL 111 Cb -0.15 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 1s5u s VAL 111 CO 0.12 0.57 -0.13 -0.69 0.00 0.00 0.00 175.10 174.96 1s5u s VAL 112 N -0.39 3.13 -0.03 2.92 1.01 0.13 -1.01 120.40 126.16 1s5u s VAL 112 Ca 0.05 -0.69 -0.26 0.00 0.00 0.00 0.00 61.98 61.07 1s5u s VAL 112 Cb -0.12 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 1s5u s VAL 112 CO 0.02 0.59 0.82 0.00 0.00 0.00 0.00 175.10 176.53 1s5u s VAL 114 N 0.84 0.40 0.03 0.00 -7.23 0.10 -1.24 120.40 113.30 1s5u s VAL 114 Ca 0.44 -1.97 -0.23 0.00 -1.81 0.00 0.00 61.98 58.41 1s5u s VAL 114 Cb -0.19 -2.26 -0.06 0.00 0.56 0.00 0.00 36.38 34.43 1s5u s VAL 114 CO 0.22 -0.30 0.70 1.51 -0.31 0.00 0.00 175.10 176.92 1s5u s ASP 115 N -3.17 7.13 0.27 4.85 1.47 -0.78 -1.50 116.67 124.94 1s5u s ASP 115 Ca 0.29 1.34 0.00 0.00 1.18 0.00 0.00 52.55 55.37 1s5u s ASP 115 Cb 0.07 -2.43 0.53 0.00 -0.34 0.00 0.00 42.92 40.75 1s5u s ASP 115 CO 0.07 0.06 1.81 -0.65 0.68 0.00 0.00 175.17 177.13 1s5u h PRO 116 N 5.60 0.83 0.26 2.11 0.11 -1.89 0.33 132.00 139.35 1s5u h PRO 116 Ca -0.45 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1s5u h PRO 116 Cb 1.20 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1s5u h PRO 116 CO 0.70 0.55 -0.12 1.25 -0.21 0.00 0.00 178.00 180.17 1s5u h LEU 117 N 0.85 -0.29 -2.02 2.35 5.85 -1.94 -3.32 115.31 116.79 1s5u h LEU 117 Ca 0.48 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.21 1s5u h LEU 117 Cb 0.54 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1s5u h LEU 117 CO -0.29 -0.19 0.00 1.17 -0.34 0.00 0.00 178.44 178.78 1s5u n LYS 118 N -3.03 2.32 -4.17 1.25 4.81 -1.25 -4.98 118.16 113.12 1s5u n LYS 118 Ca -0.04 -1.99 -0.33 0.00 -0.87 0.00 0.00 58.31 55.07 1s5u n LYS 118 Cb 0.14 -1.48 -0.05 0.00 0.02 0.00 0.00 35.03 33.65 1s5u n LYS 118 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1s5u n MET 119 N 1.23 -1.29 -4.23 1.64 2.81 0.12 -4.97 117.12 112.42 1s5u n MET 119 Ca 0.18 0.17 -0.28 0.00 -1.81 0.00 0.00 57.70 55.96 1s5u n MET 119 Cb 0.55 -3.59 -0.09 0.00 -0.71 0.00 0.00 33.22 29.38 1s5u n MET 119 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1s5u s LYS 120 N -7.16 2.21 0.19 0.03 -2.85 -1.24 -4.79 119.74 106.12 1s5u s LYS 120 Ca 0.12 -1.10 -0.32 0.00 -1.00 0.00 0.00 55.97 53.67 1s5u s LYS 120 Cb -0.06 -2.30 -0.15 0.00 -2.06 0.00 0.00 37.83 33.26 1s5u s LYS 120 CO 0.97 0.48 1.24 -2.30 0.10 0.00 0.00 175.35 175.83 1s5u n PRO 121 N 0.30 1.41 -3.86 1.78 -0.02 -1.26 -1.86 135.00 131.47 1s5u n PRO 121 Ca -0.12 0.50 -0.10 0.00 -2.02 0.00 0.00 63.50 61.77 1s5u n PRO 121 Cb 0.54 -2.05 -0.08 0.00 -0.02 0.00 0.00 33.50 31.89 1s5u n PRO 121 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1s5u s ARG 122 N -0.36 0.72 0.58 -0.52 1.70 -0.38 -4.85 118.95 115.86 1s5u s ARG 122 Ca 0.72 -0.75 -0.19 0.00 -0.47 0.00 0.00 55.73 55.04 1s5u s ARG 122 Cb -0.80 0.30 -0.04 0.00 -0.57 0.00 0.00 34.95 33.84 1s5u s ARG 122 CO 0.51 -0.21 1.17 0.00 -1.08 0.00 0.00 175.30 175.69 1s5u s ALA 123 N -2.99 2.59 0.38 7.88 0.00 -1.26 -4.46 121.76 123.90 1s5u s ALA 123 Ca -0.02 0.91 -0.27 0.00 0.00 0.00 0.00 51.96 52.58 1s5u s ALA 123 Cb 0.01 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.62 1s5u s ALA 123 CO -0.06 -1.04 1.37 -0.51 0.00 0.00 0.00 175.76 175.52 1s5u s LEU 124 N -4.04 4.29 0.33 0.00 1.02 -0.48 -4.94 118.68 114.86 1s5u s LEU 124 Ca 0.75 2.82 -0.29 0.00 0.02 0.00 0.00 54.13 57.43 1s5u s LEU 124 Cb -0.27 -3.77 -0.11 0.00 0.02 0.00 0.00 46.19 42.06 1s5u s LEU 124 CO 0.31 -0.81 1.43 -2.84 0.02 0.00 0.00 176.35 174.46 1s5u s PRO 125 N -2.10 4.23 0.41 1.29 0.02 -1.26 -4.82 135.00 132.76 1s5u s PRO 125 Ca 0.54 2.40 0.16 0.00 0.02 0.00 0.00 61.00 64.12 1s5u s PRO 125 Cb -0.42 -3.04 1.04 0.00 0.02 0.00 0.00 34.50 32.11 1s5u s PRO 125 CO 0.55 -0.40 1.87 0.87 -0.33 0.00 0.00 177.00 179.56 1s5u h LYS 126 N 3.69 0.43 -0.44 5.54 1.57 -1.99 0.61 116.57 125.98 1s5u h LYS 126 Ca -0.49 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.28 1s5u h LYS 126 Cb 1.23 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 1s5u h LYS 126 CO 0.69 0.28 0.29 0.66 -0.57 0.00 0.00 179.45 180.80 1s5u h SER 127 N 0.44 0.49 0.21 0.86 4.64 -1.98 0.47 113.55 118.69 1s5u h SER 127 Ca 0.44 -0.01 -0.29 0.00 -0.47 0.00 0.00 61.79 61.47 1s5u h SER 127 Cb 1.04 -0.12 0.03 0.00 -0.31 0.00 0.00 62.40 63.04 1s5u h SER 127 CO -0.17 0.35 -1.27 0.40 -0.87 0.00 0.00 176.83 175.27 1s5u h ILE 128 N 0.58 1.33 -0.82 0.95 2.04 -1.27 -1.93 117.51 118.39 1s5u h ILE 128 Ca 0.17 -2.63 0.00 0.00 1.00 0.00 0.00 64.86 63.40 1s5u h ILE 128 Cb -0.03 3.08 -0.04 0.00 -0.74 0.00 0.00 36.82 39.08 1s5u h ILE 128 CO -0.04 0.78 0.52 0.58 0.00 0.00 0.00 178.15 179.99 1s5u h VAL 129 N -0.05 1.22 -0.13 1.67 2.07 -0.83 -1.94 116.25 118.28 1s5u h VAL 129 Ca -0.23 -0.45 -0.12 0.00 0.82 0.00 0.00 66.70 66.72 1s5u h VAL 129 Cb 1.98 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1s5u h VAL 129 CO 0.22 0.22 -0.45 0.00 0.02 0.00 0.00 177.57 177.59 1s5u h ALA 130 N 1.28 0.99 -0.53 1.67 0.00 -0.13 -3.02 119.26 119.53 1s5u h ALA 130 Ca 0.30 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1s5u h ALA 130 Cb -0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1s5u h ALA 130 CO -0.06 0.63 0.07 1.49 0.00 0.00 0.00 179.25 181.38 1s5u h GLU 131 N 0.25 0.84 -0.02 0.00 4.57 -0.62 -3.51 114.58 116.10 1s5u h GLU 131 Ca 0.02 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1s5u h GLU 131 Cb 0.90 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.38 1s5u h GLU 131 CO 0.07 0.80 0.00 1.19 -1.18 0.00 0.00 179.01 179.90