#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5u s LEU 5 N 0.00 3.61 -0.08 1.09 2.96 -1.26 -4.60 118.68 120.40 1s5u s LEU 5 Ca 0.00 -0.45 -0.14 0.00 -0.22 0.00 0.00 54.13 53.32 1s5u s LEU 5 Cb 0.00 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.74 1s5u s LEU 5 CO 0.00 -0.11 0.36 0.12 -1.32 0.00 0.00 176.35 175.40 1s5u s PHE 6 N 1.56 3.59 -0.01 5.38 5.36 -0.23 -4.94 117.98 128.69 1s5u s PHE 6 Ca 0.05 0.81 0.07 0.00 -0.96 0.00 0.00 56.93 56.90 1s5u s PHE 6 Cb -0.16 -2.33 -0.02 0.00 -0.34 0.00 0.00 43.02 40.17 1s5u s PHE 6 CO 0.03 0.43 -0.23 1.03 -1.46 0.00 0.00 175.22 175.02 1s5u s ARG 7 N -0.24 2.16 -0.06 10.12 0.52 -1.26 -0.77 118.95 129.41 1s5u s ARG 7 Ca 0.21 -0.90 -0.03 0.00 -0.52 0.00 0.00 55.73 54.49 1s5u s ARG 7 Cb -0.15 -2.12 0.04 0.00 0.52 0.00 0.00 34.95 33.24 1s5u s ARG 7 CO 0.09 0.57 0.12 -0.46 0.02 0.00 0.00 175.30 175.63 1s5u s TRP 8 N -0.68 -0.09 0.35 -0.53 -0.11 -0.29 -4.97 118.94 112.62 1s5u s TRP 8 Ca 0.11 0.45 -0.25 0.00 1.22 0.00 0.00 56.10 57.63 1s5u s TRP 8 Cb -0.10 -0.31 -0.10 0.00 -1.50 0.00 0.00 33.47 31.46 1s5u s TRP 8 CO 0.00 -0.22 0.96 -1.25 -4.62 0.00 0.00 176.95 171.82 1s5u s PRO 9 N 2.05 4.48 -0.09 5.86 0.04 -1.26 -0.30 135.00 145.78 1s5u s PRO 9 Ca 0.02 1.32 -0.03 0.00 0.04 0.00 0.00 61.00 62.34 1s5u s PRO 9 Cb -0.12 -2.67 0.05 0.00 0.04 0.00 0.00 34.50 31.80 1s5u s PRO 9 CO -0.05 0.18 0.17 0.08 0.04 0.00 0.00 177.00 177.42 1s5u s VAL 10 N -1.72 -0.22 0.01 -0.36 1.01 -0.24 -4.93 120.40 113.95 1s5u s VAL 10 Ca 0.53 0.30 -0.17 0.00 0.00 0.00 0.00 61.98 62.64 1s5u s VAL 10 Cb -0.17 -0.30 -0.06 0.00 0.00 0.00 0.00 36.38 35.85 1s5u s VAL 10 CO 0.22 0.12 0.48 -0.60 0.00 0.00 0.00 175.10 175.32 1s5u s ARG 11 N 1.99 4.09 -0.18 2.72 6.06 -1.26 0.39 118.95 132.76 1s5u s ARG 11 Ca -0.01 0.53 -0.21 0.00 -2.50 0.00 0.00 55.73 53.55 1s5u s ARG 11 Cb -0.12 -3.26 -0.03 0.00 0.06 0.00 0.00 34.95 31.60 1s5u s ARG 11 CO -0.06 0.58 0.64 0.08 -2.50 0.00 0.00 175.30 174.04 1s5u s VAL 12 N -0.80 5.03 0.41 7.11 1.01 -0.53 -4.98 120.40 127.66 1s5u s VAL 12 Ca 0.26 1.22 0.07 0.00 0.00 0.00 0.00 61.98 63.53 1s5u s VAL 12 Cb -0.17 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 1s5u s VAL 12 CO 0.15 0.14 0.19 -0.31 0.00 0.00 0.00 175.10 175.26 1s5u s TYR 13 N 1.72 2.61 0.34 5.22 2.02 -1.26 -1.07 117.35 126.92 1s5u s TYR 13 Ca 0.30 -0.58 0.08 0.00 -0.37 0.00 0.00 57.07 56.50 1s5u s TYR 13 Cb -0.16 -1.97 0.80 0.00 -0.40 0.00 0.00 41.96 40.23 1s5u s TYR 13 CO 0.11 0.17 1.82 1.88 -1.57 0.00 0.00 175.55 177.96 1s5u h TYR 14 N 1.40 0.91 -0.09 2.71 -1.99 -1.97 -0.33 116.97 117.61 1s5u h TYR 14 Ca -0.43 0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.36 1s5u h TYR 14 Cb 1.25 -0.28 -0.00 0.00 2.00 0.00 0.00 36.73 39.70 1s5u h TYR 14 CO 0.63 0.27 0.13 1.05 -0.00 0.00 0.00 178.16 180.24 1s5u h GLU 15 N 0.71 0.00 0.00 4.88 4.11 -2.01 -1.79 114.58 120.48 1s5u h GLU 15 Ca 0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.94 1s5u h GLU 15 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1s5u h GLU 15 CO -0.28 0.00 -0.74 -0.25 0.07 0.00 0.00 179.01 177.81 1s5u n ASP 16 N -3.64 0.63 -4.98 3.06 8.00 -0.14 -4.95 116.55 114.53 1s5u n ASP 16 Ca -0.01 -0.09 -0.20 0.00 0.71 0.00 0.00 54.79 55.21 1s5u n ASP 16 Cb 0.23 0.41 0.01 0.00 -0.02 0.00 0.00 41.12 41.74 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 -3.14 3.64 0.38 -3.53 -4.23 -0.67 -0.84 115.64 107.25 1s5u s THR 17 Ca 0.06 -0.84 0.04 0.00 -1.18 0.00 0.00 61.69 59.77 1s5u s THR 17 Cb 0.15 -3.28 -0.03 0.00 1.34 0.00 0.00 72.50 70.67 1s5u s THR 17 CO 0.75 -0.14 0.12 1.51 -0.54 0.00 0.00 174.62 176.31 1s5u s ASP 18 N -4.26 2.54 0.62 3.99 1.47 -0.41 -4.66 116.67 115.97 1s5u s ASP 18 Ca 0.50 -1.61 0.31 0.00 1.18 0.00 0.00 52.55 52.93 1s5u s ASP 18 Cb -0.10 0.39 1.71 0.00 -0.34 0.00 0.00 42.92 44.58 1s5u s ASP 18 CO 0.34 -0.87 1.95 0.00 0.68 0.00 0.00 175.17 177.27 1s5u h ALA 19 N 1.90 1.24 0.00 2.11 0.00 -1.99 0.92 119.26 123.44 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 0.58 -0.24 0.00 0.41 0.00 0.00 0.00 179.25 180.00 1s5u n GLY 20 N -1.20 -1.30 0.80 0.00 0.00 -1.26 -4.88 105.19 97.35 1s5u n GLY 20 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.36 0.80 3.38 -0.02 0.00 0.32 -5.06 105.19 104.96 1s5u n GLY 21 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.01 0.35 0.23 1.61 -7.23 -1.25 -4.61 120.40 107.48 1s5u s VAL 22 Ca 0.00 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.87 1s5u s VAL 22 Cb 0.00 -2.46 -0.09 0.00 0.56 0.00 0.00 36.38 34.38 1s5u s VAL 22 CO 0.00 0.00 1.38 -0.69 -0.31 0.00 0.00 175.10 175.48 1s5u s VAL 23 N -3.46 2.90 0.24 1.32 1.01 -0.50 -1.29 120.40 120.61 1s5u s VAL 23 Ca 0.33 0.75 -0.30 0.00 0.00 0.00 0.00 61.98 62.76 1s5u s VAL 23 Cb 0.04 -3.48 -0.10 0.00 0.00 0.00 0.00 36.38 32.84 1s5u s VAL 23 CO 0.19 0.12 1.40 -0.47 0.00 0.00 0.00 175.10 176.33 1s5u s TYR 24 N 0.05 3.09 0.50 5.22 5.04 -0.02 -4.82 117.35 126.40 1s5u s TYR 24 Ca 0.58 1.10 0.21 0.00 -2.44 0.00 0.00 57.07 56.52 1s5u s TYR 24 Cb -0.39 -3.75 1.27 0.00 0.35 0.00 0.00 41.96 39.44 1s5u s TYR 24 CO 0.41 -2.41 1.99 1.12 -1.34 0.00 0.00 175.55 175.32 1s5u h HIS 25 N 5.09 0.15 0.00 4.97 2.07 -1.93 0.11 115.15 125.62 1s5u h HIS 25 Ca -0.46 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.07 1s5u h HIS 25 Cb 1.22 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 31.15 1s5u h HIS 25 CO 0.61 0.06 0.00 0.00 -3.07 0.00 0.00 177.93 175.53 1s5u h ALA 26 N 1.73 1.00 -0.20 6.11 0.00 -1.96 -3.06 119.26 122.87 1s5u h ALA 26 Ca 0.26 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 1s5u h ALA 26 Cb 0.86 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1s5u h ALA 26 CO -0.03 0.00 -0.42 0.77 0.00 0.00 0.00 179.25 179.56 1s5u h SER 27 N 0.00 0.52 -0.42 0.00 0.02 -1.08 -2.61 113.55 109.98 1s5u h SER 27 Ca 0.00 -0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 60.67 1s5u h SER 27 Cb 0.71 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 1s5u h SER 27 CO 0.00 0.88 0.11 1.88 -1.14 0.00 0.00 176.83 178.56 1s5u h TYR 28 N 0.40 0.76 -0.75 3.45 0.05 -1.55 -0.98 116.97 118.35 1s5u h TYR 28 Ca 0.03 -0.07 0.02 0.00 0.05 0.00 0.00 58.73 58.77 1s5u h TYR 28 Cb 0.91 -0.22 -0.04 0.00 1.01 0.00 0.00 36.73 38.38 1s5u h TYR 28 CO 0.03 0.65 0.48 0.28 -1.05 0.00 0.00 178.16 178.55 1s5u h VAL 29 N 0.72 1.14 -0.62 -2.88 2.07 -1.54 -0.10 116.25 115.04 1s5u h VAL 29 Ca 0.16 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.27 1s5u h VAL 29 Cb 0.28 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 1s5u h VAL 29 CO -0.00 0.17 0.08 0.00 0.02 0.00 0.00 177.57 177.84 1s5u h ALA 30 N 1.30 0.83 -0.98 1.67 0.00 -1.15 -2.23 119.26 118.70 1s5u h ALA 30 Ca 0.29 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1s5u h ALA 30 Cb -0.03 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 1s5u h ALA 30 CO -0.09 0.60 0.65 0.74 0.00 0.00 0.00 179.25 181.15 1s5u h PHE 31 N 0.95 1.22 -0.80 0.00 0.04 -0.31 -0.70 116.94 117.34 1s5u h PHE 31 Ca 0.19 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.96 1s5u h PHE 31 Cb 0.46 -0.41 -0.04 0.00 2.20 0.00 0.00 35.95 38.16 1s5u h PHE 31 CO 0.03 0.75 0.40 1.88 -0.60 0.00 0.00 178.31 180.77 1s5u h TYR 32 N 1.30 1.14 -0.38 -0.55 0.05 -0.69 -1.77 116.97 116.06 1s5u h TYR 32 Ca 0.37 -0.04 -0.05 0.00 0.05 0.00 0.00 58.73 59.05 1s5u h TYR 32 Cb -0.10 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.27 1s5u h TYR 32 CO -0.00 0.81 0.04 1.49 -1.05 0.00 0.00 178.16 179.45 1s5u h GLU 33 N 1.14 0.66 -0.78 4.88 4.22 -0.70 -2.16 114.58 121.84 1s5u h GLU 33 Ca 0.28 -0.19 0.07 0.00 0.08 0.00 0.00 59.36 59.60 1s5u h GLU 33 Cb 0.09 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.21 1s5u h GLU 33 CO -0.04 0.73 0.45 0.00 -2.18 0.00 0.00 179.01 177.98 1s5u h ARG 34 N 0.49 0.78 -0.65 1.92 3.08 -0.78 -1.15 114.38 118.07 1s5u h ARG 34 Ca 0.11 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 1s5u h ARG 34 Cb 0.41 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1s5u h ARG 34 CO 0.01 0.52 0.25 0.00 -1.07 0.00 0.00 179.97 179.68 1s5u h ALA 35 N 1.41 0.85 -0.47 0.04 0.00 -1.06 0.33 119.26 120.36 1s5u h ALA 35 Ca 0.36 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1s5u h ALA 35 Cb 0.25 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1s5u h ALA 35 CO -0.21 0.48 -0.08 0.00 0.00 0.00 0.00 179.25 179.45 1s5u h ARG 36 N 0.93 0.82 -0.61 0.00 3.08 -0.92 -1.05 114.38 116.63 1s5u h ARG 36 Ca 0.22 -0.26 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 1s5u h ARG 36 Cb 0.22 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 1s5u h ARG 36 CO -0.02 0.88 0.16 1.15 -1.07 0.00 0.00 179.97 181.07 1s5u h THR 37 N 0.75 1.25 -0.01 2.04 2.02 -0.76 -2.12 112.91 116.07 1s5u h THR 37 Ca 0.13 -0.89 -0.11 0.00 0.77 0.00 0.00 66.41 66.32 1s5u h THR 37 Cb 0.57 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1s5u h THR 37 CO 0.03 0.33 -0.50 -0.33 0.37 0.00 0.00 175.52 175.43 1s5u h GLU 38 N 0.88 0.04 -0.41 6.66 4.39 -0.63 -0.95 114.58 124.56 1s5u h GLU 38 Ca 0.19 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.84 1s5u h GLU 38 Cb 0.33 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1s5u h GLU 38 CO -0.00 0.53 0.12 1.98 -1.16 0.00 0.00 179.01 180.48 1s5u h MET 39 N 0.03 0.64 -0.49 2.33 4.05 -0.88 -0.48 114.93 120.13 1s5u h MET 39 Ca -0.00 -0.14 -0.01 0.00 -0.28 0.00 0.00 59.70 59.27 1s5u h MET 39 Cb 0.89 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.58 1s5u h MET 39 CO 0.07 0.64 0.27 -0.07 0.23 0.00 0.00 176.91 178.04 1s5u h LEU 40 N 0.52 0.61 -1.50 3.39 4.07 -1.00 -2.42 115.31 118.98 1s5u h LEU 40 Ca 0.13 -0.09 -0.02 0.00 0.08 0.00 0.00 57.88 57.98 1s5u h LEU 40 Cb 0.27 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.84 1s5u h LEU 40 CO -0.00 0.53 0.15 -0.09 -1.08 0.00 0.00 178.44 177.95 1s5u h ARG 41 N 0.65 0.49 0.00 1.13 2.43 -0.87 -0.41 114.38 117.80 1s5u h ARG 41 Ca 0.17 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1s5u h ARG 41 Cb 0.05 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1s5u h ARG 41 CO -0.03 0.40 -0.03 1.25 -1.51 0.00 0.00 179.97 180.05 1s5u h HIS 42 N 0.49 0.00 -0.55 2.20 2.76 -0.58 0.62 115.15 120.09 1s5u h HIS 42 Ca 0.12 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 1s5u h HIS 42 Cb 0.08 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.04 1s5u h HIS 42 CO 0.00 0.03 0.00 0.72 -1.30 0.00 0.00 177.93 177.38 1s5u n HIS 43 N -4.26 1.58 -1.90 5.26 8.25 -0.23 -4.93 115.22 118.99 1s5u n HIS 43 Ca -0.03 -0.58 -0.10 0.00 -0.26 0.00 0.00 57.72 56.74 1s5u n HIS 43 Cb 0.11 -0.34 -0.02 0.00 1.12 0.00 0.00 29.99 30.87 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 0.79 -0.33 -4.43 4.41 -0.00 0.21 -5.03 115.22 110.84 1s5u n HIS 44 Ca 0.24 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.62 1s5u n HIS 44 Cb 0.94 -2.32 -0.12 0.00 -0.00 0.00 0.00 29.99 28.49 1s5u n HIS 44 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1s5u s PHE 45 N -2.48 3.02 -0.18 4.41 0.08 -0.80 -4.99 117.98 117.04 1s5u s PHE 45 Ca 0.00 -0.22 -0.01 0.00 0.12 0.00 0.00 56.93 56.82 1s5u s PHE 45 Cb 0.00 -1.91 0.00 0.00 -0.57 0.00 0.00 43.02 40.54 1s5u s PHE 45 CO 0.00 0.05 -0.13 0.45 -0.10 0.00 0.00 175.22 175.49 1s5u s SER 46 N 0.11 3.75 0.47 1.36 0.15 -1.26 -3.29 113.70 114.99 1s5u s SER 46 Ca -0.01 -0.48 0.25 0.00 0.70 0.00 0.00 55.95 56.40 1s5u s SER 46 Cb -0.14 -1.60 1.16 0.00 -1.71 0.00 0.00 66.02 63.73 1s5u s SER 46 CO 0.03 0.03 1.94 1.56 1.20 0.00 0.00 173.24 178.00 1s5u h GLN 47 N 7.71 0.00 -0.25 5.44 4.20 -1.95 0.74 115.11 131.00 1s5u h GLN 47 Ca -0.39 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.22 1s5u h GLN 47 Cb 1.17 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.94 1s5u h GLN 47 CO 0.60 0.19 -0.24 0.37 -0.67 0.00 0.00 178.83 179.08 1s5u h GLN 48 N 0.00 0.60 -0.40 1.46 5.75 -1.95 -1.30 115.11 119.27 1s5u h GLN 48 Ca -0.00 -0.32 -0.07 0.00 -0.15 0.00 0.00 58.65 58.11 1s5u h GLN 48 Cb 0.55 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.10 1s5u h GLN 48 CO 0.03 0.91 -0.02 0.00 -2.65 0.00 0.00 178.83 177.10 1s5u h ALA 49 N 0.68 0.54 -0.77 3.38 0.00 -1.84 -3.13 119.26 118.11 1s5u h ALA 49 Ca 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1s5u h ALA 49 Cb 0.80 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1s5u h ALA 49 CO 0.06 0.34 0.45 -0.07 0.00 0.00 0.00 179.25 180.03 1s5u h LEU 50 N 0.55 0.95 -1.30 0.00 3.38 -0.80 -2.34 115.31 115.74 1s5u h LEU 50 Ca 0.11 -0.08 0.13 0.00 0.09 0.00 0.00 57.88 58.13 1s5u h LEU 50 Cb 0.50 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 1s5u h LEU 50 CO 0.02 0.75 0.56 0.24 0.09 0.00 0.00 178.44 180.11 1s5u h MET 51 N 1.07 0.68 0.00 1.13 2.86 -1.05 0.38 114.93 120.00 1s5u h MET 51 Ca 0.28 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.86 1s5u h MET 51 Cb -0.01 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.50 1s5u h MET 51 CO -0.05 0.45 -0.09 0.00 1.06 0.00 0.00 176.91 178.28 1s5u h ALA 52 N 1.60 1.25 -0.67 6.32 0.00 -1.44 0.47 119.26 126.79 1s5u h ALA 52 Ca 0.43 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1s5u h ALA 52 Cb 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1s5u h ALA 52 CO -0.19 0.11 0.00 0.39 0.00 0.00 0.00 179.25 179.56 1s5u n GLU 53 N -3.55 2.87 -3.40 0.00 1.02 0.12 -4.93 120.64 112.76 1s5u n GLU 53 Ca -0.02 -2.55 -0.19 0.00 -0.02 0.00 0.00 57.16 54.38 1s5u n GLU 53 Cb 0.22 -1.63 0.07 0.00 -0.02 0.00 0.00 31.44 30.08 1s5u n GLU 53 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1s5u n ARG 54 N 1.41 -6.67 -3.96 3.49 1.74 0.16 -5.02 116.66 107.81 1s5u n ARG 54 Ca 0.24 0.73 -0.27 0.00 -0.77 0.00 0.00 57.85 57.77 1s5u n ARG 54 Cb 0.66 -5.44 -0.17 0.00 -1.02 0.00 0.00 32.46 26.48 1s5u n ARG 54 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1s5u s VAL 55 N -3.29 1.09 0.17 1.55 1.01 -0.54 -4.17 120.40 116.22 1s5u s VAL 55 Ca 0.38 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 61.96 1s5u s VAL 55 Cb -0.17 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 1s5u s VAL 55 CO 0.64 0.38 0.22 0.00 0.00 0.00 0.00 175.10 176.33 1s5u s ALA 56 N 1.62 0.35 -0.07 5.51 0.00 -0.26 -2.76 121.76 126.14 1s5u s ALA 56 Ca 0.04 -1.14 0.04 0.00 0.00 0.00 0.00 51.96 50.90 1s5u s ALA 56 Cb -0.13 0.94 0.00 0.00 0.00 0.00 0.00 23.12 23.93 1s5u s ALA 56 CO -0.08 -0.61 -0.19 -0.06 0.00 0.00 0.00 175.76 174.82 1s5u s PHE 57 N -4.02 2.03 0.06 0.00 0.08 -1.26 -0.24 117.98 114.64 1s5u s PHE 57 Ca 0.22 -0.71 0.06 0.00 0.12 0.00 0.00 56.93 56.62 1s5u s PHE 57 Cb 0.05 -1.38 -0.03 0.00 -0.57 0.00 0.00 43.02 41.09 1s5u s PHE 57 CO 0.03 -0.28 -0.17 0.14 -0.10 0.00 0.00 175.22 174.84 1s5u s VAL 58 N 0.25 1.36 -0.12 -0.44 -7.23 -0.55 -4.96 120.40 108.71 1s5u s VAL 58 Ca -0.11 -1.23 -0.30 0.00 -1.81 0.00 0.00 61.98 58.53 1s5u s VAL 58 Cb -0.15 -1.23 -0.02 0.00 0.56 0.00 0.00 36.38 35.54 1s5u s VAL 58 CO 0.05 -0.02 1.12 -0.69 -0.31 0.00 0.00 175.10 175.25 1s5u s VAL 59 N -1.00 4.51 -0.19 1.32 1.01 -1.26 -1.08 120.40 123.71 1s5u s VAL 59 Ca 0.03 1.81 0.02 0.00 0.00 0.00 0.00 61.98 63.84 1s5u s VAL 59 Cb -0.09 -4.17 -0.22 0.00 0.00 0.00 0.00 36.38 31.91 1s5u s VAL 59 CO 0.02 -0.05 0.08 -1.14 0.00 0.00 0.00 175.10 174.01 1s5u n ARG 60 N 5.55 0.69 -3.71 2.72 3.00 0.41 -4.94 116.66 120.38 1s5u n ARG 60 Ca 0.11 0.18 -0.14 0.00 -0.00 0.00 0.00 57.85 58.00 1s5u n ARG 60 Cb 0.47 -1.61 -0.09 0.00 0.00 0.00 0.00 32.46 31.23 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 0.58 -0.13 -0.14 2.20 -1.16 -5.01 119.74 113.54 1s5u s LYS 61 Ca -0.25 0.54 -0.07 0.00 -0.36 0.00 0.00 55.97 55.83 1s5u s LYS 61 Cb 0.08 0.28 0.05 0.00 -1.51 0.00 0.00 37.83 36.73 1s5u s LYS 61 CO 0.70 -0.09 0.32 1.41 -0.36 0.00 0.00 175.35 177.33 1s5u s MET 62 N 0.02 0.29 -0.10 4.03 1.75 -1.26 -0.40 119.30 123.63 1s5u s MET 62 Ca -0.02 0.65 0.03 0.00 -1.25 0.00 0.00 55.69 55.10 1s5u s MET 62 Cb -0.03 -0.08 0.01 0.00 2.84 0.00 0.00 34.83 37.57 1s5u s MET 62 CO 0.01 -0.16 -0.20 0.99 -0.65 0.00 0.00 175.02 175.01 1s5u s THR 63 N 1.32 1.77 -0.06 10.11 2.01 -0.84 -5.00 115.64 124.96 1s5u s THR 63 Ca -0.09 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.10 1s5u s THR 63 Cb -0.09 -1.56 0.00 0.00 0.01 0.00 0.00 72.50 70.86 1s5u s THR 63 CO -0.10 0.50 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.48 1s5u s VAL 64 N 0.53 1.33 -0.13 3.82 1.01 -1.26 -1.72 120.40 123.99 1s5u s VAL 64 Ca -0.15 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1s5u s VAL 64 Cb -0.17 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 1s5u s VAL 64 CO 0.06 0.39 -0.18 -0.70 0.00 0.00 0.00 175.10 174.67 1s5u s GLU 65 N 0.34 3.22 -0.16 2.72 2.12 -0.35 -4.98 118.70 121.61 1s5u s GLU 65 Ca -0.10 -0.77 -0.07 0.00 0.36 0.00 0.00 54.97 54.39 1s5u s GLU 65 Cb -0.14 -2.51 -0.04 0.00 0.26 0.00 0.00 34.13 31.70 1s5u s GLU 65 CO 0.03 0.15 0.07 0.71 -0.54 0.00 0.00 175.26 175.68 1s5u s TYR 66 N 0.46 3.30 -0.02 5.30 2.02 -1.26 -1.74 117.35 125.41 1s5u s TYR 66 Ca -0.12 0.18 -0.00 0.00 -0.37 0.00 0.00 57.07 56.75 1s5u s TYR 66 Cb -0.16 -2.02 -0.01 0.00 -0.40 0.00 0.00 41.96 39.36 1s5u s TYR 66 CO 0.05 0.30 -0.02 0.66 -1.57 0.00 0.00 175.55 174.97 1s5u n TYR 67 N 3.10 0.00 -3.90 2.71 4.01 0.91 -4.98 117.16 119.00 1s5u n TYR 67 Ca -0.17 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.46 1s5u n TYR 67 Cb 0.53 -0.09 -0.10 0.00 -0.31 0.00 0.00 39.34 39.37 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 -2.05 -0.20 0.50 -0.72 0.00 -0.67 -5.02 121.76 113.59 1s5u s ALA 68 Ca -0.03 -0.34 -0.06 0.00 0.00 0.00 0.00 51.96 51.54 1s5u s ALA 68 Cb 0.01 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 1s5u s ALA 68 CO 0.05 -0.26 0.81 -1.25 0.00 0.00 0.00 175.76 175.11 1s5u s PRO 69 N -1.95 3.50 0.12 0.00 0.04 -1.26 -4.52 135.00 130.93 1s5u s PRO 69 Ca -0.10 0.21 0.07 0.00 0.04 0.00 0.00 61.00 61.22 1s5u s PRO 69 Cb -0.05 -2.35 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 1s5u s PRO 69 CO -0.01 -0.26 -0.06 0.00 0.04 0.00 0.00 177.00 176.70 1s5u s ALA 70 N -2.79 3.06 0.35 8.56 0.00 -1.26 -5.01 121.76 124.68 1s5u s ALA 70 Ca 0.48 -1.27 0.04 0.00 0.00 0.00 0.00 51.96 51.21 1s5u s ALA 70 Cb -0.10 -0.95 -0.06 0.00 0.00 0.00 0.00 23.12 22.01 1s5u s ALA 70 CO 0.45 0.60 0.06 1.03 0.00 0.00 0.00 175.76 177.91 1s5u s ARG 71 N -2.43 1.75 0.09 0.00 0.52 -1.26 -1.41 118.95 116.20 1s5u s ARG 71 Ca 0.24 -1.99 -0.36 0.00 -0.52 0.00 0.00 55.73 53.09 1s5u s ARG 71 Cb -0.11 -0.97 -0.16 0.00 0.52 0.00 0.00 34.95 34.24 1s5u s ARG 71 CO 0.16 -0.21 1.42 -0.11 0.02 0.00 0.00 175.30 176.57 1s5u n LEU 72 N -0.77 2.06 0.00 2.53 7.94 -1.26 -1.51 117.00 125.98 1s5u n LEU 72 Ca -0.04 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 55.97 1s5u n LEU 72 Cb 0.66 -1.25 0.00 0.00 0.53 0.00 0.00 43.42 43.36 1s5u n LEU 72 CO 0.42 -0.82 0.00 -0.67 -1.11 0.00 0.00 177.39 175.21 1s5u n ASP 73 N 2.87 0.00 -4.76 1.96 2.03 -0.23 -5.01 116.55 113.41 1s5u n ASP 73 Ca 0.18 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 55.11 1s5u n ASP 73 Cb 0.22 -0.10 0.01 0.00 -0.72 0.00 0.00 41.12 40.52 1s5u n ASP 73 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1s5u s ASP 74 N -3.18 5.97 -0.29 1.67 1.01 -0.57 -4.67 116.67 116.61 1s5u s ASP 74 Ca 0.00 2.56 -0.10 0.00 0.71 0.00 0.00 52.55 55.73 1s5u s ASP 74 Cb 0.00 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 1s5u s ASP 74 CO 0.00 -1.08 0.15 -0.32 0.21 0.00 0.00 175.17 174.14 1s5u s MET 75 N -2.59 3.54 0.38 8.23 -2.45 -1.26 -1.46 119.30 123.69 1s5u s MET 75 Ca 0.63 -0.58 0.07 0.00 -1.25 0.00 0.00 55.69 54.57 1s5u s MET 75 Cb -0.35 -3.56 -0.01 0.00 1.25 0.00 0.00 34.83 32.16 1s5u s MET 75 CO 0.44 -0.32 0.43 -0.51 1.05 0.00 0.00 175.02 176.10 1s5u s LEU 76 N 1.65 3.65 -0.08 4.11 1.43 0.16 -3.53 118.68 126.08 1s5u s LEU 76 Ca 0.06 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1s5u s LEU 76 Cb -0.16 -2.42 0.02 0.00 0.03 0.00 0.00 46.19 43.65 1s5u s LEU 76 CO 0.07 -0.56 -0.09 -0.70 0.23 0.00 0.00 176.35 175.31 1s5u s GLU 77 N -4.17 1.43 -0.22 1.70 2.12 -0.33 -1.08 118.70 118.14 1s5u s GLU 77 Ca 0.47 -0.27 -0.10 0.00 0.36 0.00 0.00 54.97 55.43 1s5u s GLU 77 Cb -0.07 -1.35 -0.05 0.00 0.26 0.00 0.00 34.13 32.92 1s5u s GLU 77 CO 0.30 -0.12 0.15 0.42 -0.54 0.00 0.00 175.26 175.46 1s5u s ILE 78 N 1.16 5.37 -0.13 -3.70 -1.09 0.59 -1.72 121.20 121.68 1s5u s ILE 78 Ca -0.06 0.18 -0.03 0.00 -2.23 0.00 0.00 60.65 58.51 1s5u s ILE 78 Cb -0.14 -3.48 -0.03 0.00 -1.58 0.00 0.00 42.46 37.23 1s5u s ILE 78 CO -0.02 0.39 -0.03 -1.10 -1.23 0.00 0.00 174.94 172.95 1s5u s GLN 79 N 0.74 3.45 -0.02 2.79 -0.21 0.29 -1.14 119.66 125.56 1s5u s GLN 79 Ca 0.08 -0.50 0.03 0.00 0.02 0.00 0.00 55.36 54.99 1s5u s GLN 79 Cb -0.12 -2.86 -0.00 0.00 1.00 0.00 0.00 33.01 31.02 1s5u s GLN 79 CO 0.02 0.38 -0.09 0.99 -2.12 0.00 0.00 175.29 174.46 1s5u s THR 80 N -0.00 0.75 -0.06 -0.19 2.01 0.05 -1.61 115.64 116.58 1s5u s THR 80 Ca 0.01 -0.37 -0.05 0.00 0.31 0.00 0.00 61.69 61.59 1s5u s THR 80 Cb -0.13 -0.65 0.02 0.00 0.01 0.00 0.00 72.50 71.75 1s5u s THR 80 CO 0.02 0.22 0.17 -1.61 -0.69 0.00 0.00 174.62 172.73 1s5u s GLU 81 N -0.01 0.17 -0.37 4.92 2.02 -0.58 -1.06 118.70 123.79 1s5u s GLU 81 Ca 0.00 0.27 -0.19 0.00 0.02 0.00 0.00 54.97 55.07 1s5u s GLU 81 Cb -0.06 0.03 0.01 0.00 0.10 0.00 0.00 34.13 34.21 1s5u s GLU 81 CO 0.00 -0.06 0.58 0.42 0.02 0.00 0.00 175.26 176.22 1s5u s ILE 82 N 0.35 4.93 -0.32 -1.63 1.01 -1.26 -0.49 121.20 123.79 1s5u s ILE 82 Ca -0.02 0.34 0.22 0.00 0.00 0.00 0.00 60.65 61.19 1s5u s ILE 82 Cb -0.04 -4.06 -0.17 0.00 0.01 0.00 0.00 42.46 38.21 1s5u s ILE 82 CO -0.01 -0.34 0.83 0.35 0.00 0.00 0.00 174.94 175.76 1s5u n THR 83 N 5.58 0.22 -3.75 2.92 -2.24 0.19 -4.95 114.28 112.25 1s5u n THR 83 Ca -0.03 -0.40 -0.13 0.00 -2.27 0.00 0.00 64.05 61.22 1s5u n THR 83 Cb 0.48 0.03 -0.10 0.00 -2.10 0.00 0.00 70.33 68.64 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 -4.47 -0.39 -0.07 3.42 0.01 -1.15 -4.96 113.70 106.09 1s5u s SER 84 Ca -0.01 0.74 -0.01 0.00 1.31 0.00 0.00 55.95 57.98 1s5u s SER 84 Cb 0.13 0.76 0.03 0.00 0.21 0.00 0.00 66.02 67.14 1s5u s SER 84 CO 0.84 -0.14 -0.01 -0.04 0.41 0.00 0.00 173.24 174.31 1s5u s MET 85 N 0.17 0.68 0.19 12.44 -1.94 -1.26 -0.12 119.30 129.46 1s5u s MET 85 Ca -0.00 0.07 0.00 0.00 -1.71 0.00 0.00 55.69 54.05 1s5u s MET 85 Cb -0.03 -0.99 -0.00 0.00 2.01 0.00 0.00 34.83 35.82 1s5u s MET 85 CO 0.01 -0.28 0.01 0.54 -0.01 0.00 0.00 175.02 175.29 1s5u n ARG 86 N 5.02 1.37 -0.07 2.03 1.74 0.19 -4.99 116.66 121.95 1s5u n ARG 86 Ca -0.09 -1.43 -0.03 0.00 -0.77 0.00 0.00 57.85 55.52 1s5u n ARG 86 Cb 0.50 0.46 -0.02 0.00 -1.02 0.00 0.00 32.46 32.38 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 0.51 -2.04 -1.25 -0.13 0.00 -2.00 -3.22 103.07 94.94 1s5u h GLY 87 Ca -0.16 0.96 0.00 0.00 0.00 0.00 0.00 47.33 48.14 1s5u h GLY 87 CO 0.26 -0.70 0.00 -1.30 0.00 0.00 0.00 176.54 174.80 1s5u n THR 88 N -3.45 0.46 -4.13 4.70 -2.24 -1.26 -1.61 114.28 106.75 1s5u n THR 88 Ca -0.00 -0.73 -0.11 0.00 -2.27 0.00 0.00 64.05 60.93 1s5u n THR 88 Cb 0.07 0.92 -0.08 0.00 -2.10 0.00 0.00 70.33 69.14 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 -1.04 0.17 0.03 3.42 1.04 -1.22 0.16 113.70 116.27 1s5u s SER 89 Ca 0.21 -1.26 -0.13 0.00 0.48 0.00 0.00 55.95 55.24 1s5u s SER 89 Cb 0.12 0.47 0.02 0.00 0.10 0.00 0.00 66.02 66.73 1s5u s SER 89 CO 0.17 -0.97 0.28 -1.48 0.98 0.00 0.00 173.24 172.23 1s5u s LEU 90 N -3.13 0.96 -0.18 2.42 0.05 -0.33 0.52 118.68 119.00 1s5u s LEU 90 Ca 0.33 -0.18 -0.02 0.00 0.05 0.00 0.00 54.13 54.31 1s5u s LEU 90 Cb 0.04 1.27 -0.01 0.00 -2.05 0.00 0.00 46.19 45.44 1s5u s LEU 90 CO 0.12 -0.58 -0.09 -0.69 -0.55 0.00 0.00 176.35 174.57 1s5u s VAL 91 N -2.37 3.20 -0.09 1.48 1.01 0.83 -0.99 120.40 123.47 1s5u s VAL 91 Ca -0.06 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 1s5u s VAL 91 Cb -0.02 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 1s5u s VAL 91 CO -0.02 0.47 0.13 -0.36 0.00 0.00 0.00 175.10 175.32 1s5u s PHE 92 N 0.96 3.53 -0.19 5.22 0.08 0.37 -0.64 117.98 127.32 1s5u s PHE 92 Ca -0.01 0.45 0.00 0.00 0.12 0.00 0.00 56.93 57.49 1s5u s PHE 92 Cb -0.15 -1.89 0.02 0.00 -0.57 0.00 0.00 43.02 40.43 1s5u s PHE 92 CO -0.00 0.69 -0.17 0.99 -0.10 0.00 0.00 175.22 176.62 1s5u s THR 93 N -1.09 2.25 0.13 0.64 2.01 0.36 -0.63 115.64 119.31 1s5u s THR 93 Ca 0.18 -0.90 0.04 0.00 0.31 0.00 0.00 61.69 61.31 1s5u s THR 93 Cb -0.12 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.37 1s5u s THR 93 CO 0.07 0.50 -0.09 -1.10 -0.69 0.00 0.00 174.62 173.32 1s5u s GLN 94 N 1.31 0.99 0.04 4.92 -0.21 -0.18 -1.52 119.66 125.02 1s5u s GLN 94 Ca 0.05 -1.41 -0.17 0.00 0.02 0.00 0.00 55.36 53.85 1s5u s GLN 94 Cb -0.13 -0.50 0.03 0.00 1.00 0.00 0.00 33.01 33.41 1s5u s GLN 94 CO -0.11 0.05 0.38 -0.98 -2.12 0.00 0.00 175.29 172.50 1s5u s ARG 95 N -3.75 0.89 -0.11 2.91 1.70 -0.63 -0.24 118.95 119.71 1s5u s ARG 95 Ca 0.15 -0.40 0.03 0.00 -0.47 0.00 0.00 55.73 55.04 1s5u s ARG 95 Cb 0.03 0.39 0.01 0.00 -0.57 0.00 0.00 34.95 34.81 1s5u s ARG 95 CO -0.01 -0.30 -0.21 0.42 -1.08 0.00 0.00 175.30 174.13 1s5u s ILE 96 N -2.49 1.86 0.17 4.99 1.01 0.02 -0.55 121.20 126.21 1s5u s ILE 96 Ca -0.05 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 59.77 1s5u s ILE 96 Cb -0.01 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 1s5u s ILE 96 CO -0.03 0.51 -0.12 0.68 0.00 0.00 0.00 174.94 175.98 1s5u s VAL 97 N 0.63 1.43 0.00 2.92 -7.23 -0.70 -0.57 120.40 116.88 1s5u s VAL 97 Ca -0.13 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 57.96 1s5u s VAL 97 Cb -0.16 -1.89 0.00 0.00 0.56 0.00 0.00 36.38 34.88 1s5u s VAL 97 CO 0.03 -0.64 0.00 -0.46 -0.31 0.00 0.00 175.10 173.72 1s5u n ASN 98 N -0.19 0.00 0.21 4.85 0.23 -1.01 -1.19 115.26 118.16 1s5u n ASN 98 Ca -0.10 -0.87 0.14 0.00 -0.53 0.00 0.00 54.58 53.21 1s5u n ASN 98 Cb 0.60 0.00 0.74 0.00 -2.08 0.00 0.00 39.78 39.04 1s5u n ASN 98 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1s5u h ALA 99 N 0.25 1.02 -0.27 -2.53 0.00 -1.93 -0.57 119.26 115.23 1s5u h ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1s5u h ALA 99 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1s5u h ALA 99 CO 0.00 -0.02 0.00 0.39 0.00 0.00 0.00 179.25 179.62 1s5u n GLU 100 N -2.46 2.08 -1.61 0.00 4.71 -1.26 -4.96 120.64 117.14 1s5u n GLU 100 Ca -0.02 -1.85 -0.08 0.00 -0.01 0.00 0.00 57.16 55.21 1s5u n GLU 100 Cb 0.07 -1.31 -0.02 0.00 -1.01 0.00 0.00 31.44 29.17 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 0.78 -3.48 -4.73 1.62 4.05 -0.22 -5.00 115.26 108.27 1s5u n ASN 101 Ca 0.12 0.11 -0.41 0.00 0.45 0.00 0.00 54.58 54.84 1s5u n ASN 101 Cb 0.42 -2.13 -0.03 0.00 1.23 0.00 0.00 39.78 39.27 1s5u n ASN 101 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1s5u s THR 102 N -2.33 3.71 -0.42 -0.44 2.01 -1.26 -4.77 115.64 112.13 1s5u s THR 102 Ca 0.00 1.35 -0.29 0.00 0.31 0.00 0.00 61.69 63.06 1s5u s THR 102 Cb 0.00 -3.86 0.02 0.00 0.01 0.00 0.00 72.50 68.66 1s5u s THR 102 CO 0.00 0.18 1.26 -0.22 -0.69 0.00 0.00 174.62 175.15 1s5u s LEU 103 N 0.25 3.66 -0.06 4.42 2.96 -1.26 -2.41 118.68 126.24 1s5u s LEU 103 Ca 0.55 0.73 -0.20 0.00 -0.22 0.00 0.00 54.13 54.99 1s5u s LEU 103 Cb -0.32 -3.54 -0.31 0.00 0.50 0.00 0.00 46.19 42.52 1s5u s LEU 103 CO 0.34 -1.29 0.82 -0.07 -1.32 0.00 0.00 176.35 174.83 1s5u h LEU 104 N 11.51 0.46 -7.36 -0.68 3.38 -1.07 -3.34 115.31 118.22 1s5u h LEU 104 Ca -0.25 -0.93 0.16 0.00 0.09 0.00 0.00 57.88 56.96 1s5u h LEU 104 Cb 1.08 -0.15 -0.11 0.00 0.09 0.00 0.00 40.66 41.57 1s5u h LEU 104 CO 1.10 1.46 0.52 0.54 0.09 0.00 0.00 178.44 182.14 1s5u s ASN 105 N -7.02 -0.24 0.04 -0.43 2.20 -1.17 -0.06 114.94 108.26 1s5u s ASN 105 Ca -0.15 -0.22 -0.03 0.00 -0.94 0.00 0.00 52.86 51.52 1s5u s ASN 105 Cb 0.02 0.42 -0.02 0.00 -2.00 0.00 0.00 41.25 39.67 1s5u s ASN 105 CO 0.82 -0.74 0.03 -1.83 -2.94 0.00 0.00 177.10 172.44 1s5u s GLU 106 N -3.15 0.57 0.05 3.55 -1.05 -0.71 -0.80 118.70 117.15 1s5u s GLU 106 Ca 0.09 -0.93 -0.07 0.00 -0.15 0.00 0.00 54.97 53.91 1s5u s GLU 106 Cb -0.01 0.21 -0.00 0.00 -0.44 0.00 0.00 34.13 33.89 1s5u s GLU 106 CO -0.03 -0.12 0.15 0.00 0.95 0.00 0.00 175.26 176.20 1s5u s ALA 107 N -3.02 -0.19 -0.13 -0.84 0.00 0.67 -1.21 121.76 117.03 1s5u s ALA 107 Ca -0.01 -0.47 0.01 0.00 0.00 0.00 0.00 51.96 51.49 1s5u s ALA 107 Cb 0.01 0.30 0.02 0.00 0.00 0.00 0.00 23.12 23.45 1s5u s ALA 107 CO -0.07 -0.36 -0.16 -2.00 0.00 0.00 0.00 175.76 173.17 1s5u s GLU 108 N -2.81 2.44 -0.15 0.00 2.12 -0.70 -1.01 118.70 118.60 1s5u s GLU 108 Ca -0.03 -0.63 0.01 0.00 0.36 0.00 0.00 54.97 54.68 1s5u s GLU 108 Cb 0.00 -2.11 0.02 0.00 0.26 0.00 0.00 34.13 32.30 1s5u s GLU 108 CO -0.05 -0.13 -0.16 0.08 -0.54 0.00 0.00 175.26 174.45 1s5u s VAL 109 N 1.17 1.72 -0.32 3.70 1.01 0.20 -1.99 120.40 125.89 1s5u s VAL 109 Ca -0.01 -0.74 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 1s5u s VAL 109 Cb -0.14 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 1s5u s VAL 109 CO -0.06 0.48 0.50 -0.22 0.00 0.00 0.00 175.10 175.80 1s5u s LEU 110 N 1.28 4.25 -0.11 3.92 2.96 0.46 -0.47 118.68 130.97 1s5u s LEU 110 Ca 0.02 0.12 0.01 0.00 -0.22 0.00 0.00 54.13 54.06 1s5u s LEU 110 Cb -0.13 -2.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.95 1s5u s LEU 110 CO -0.09 -0.41 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.71 1s5u s VAL 111 N 2.34 3.02 -0.08 1.68 1.01 -0.16 -0.44 120.40 127.77 1s5u s VAL 111 Ca 0.19 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.50 1s5u s VAL 111 Cb -0.16 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1s5u s VAL 111 CO 0.12 0.54 -0.11 -0.69 0.00 0.00 0.00 175.10 174.96 1s5u s VAL 112 N 0.13 3.33 0.08 2.92 1.01 -0.24 -1.19 120.40 126.44 1s5u s VAL 112 Ca -0.07 -0.61 -0.27 0.00 0.00 0.00 0.00 61.98 61.03 1s5u s VAL 112 Cb -0.15 -2.35 -0.06 0.00 0.00 0.00 0.00 36.38 33.82 1s5u s VAL 112 CO 0.05 0.57 0.85 0.00 0.00 0.00 0.00 175.10 176.57 1s5u s VAL 114 N -0.05 0.11 -0.42 0.00 -7.23 0.67 -1.36 120.40 112.11 1s5u s VAL 114 Ca 0.42 -1.79 -0.21 0.00 -1.81 0.00 0.00 61.98 58.59 1s5u s VAL 114 Cb -0.22 -1.95 0.02 0.00 0.56 0.00 0.00 36.38 34.79 1s5u s VAL 114 CO 0.26 -0.48 0.67 -0.62 -0.31 0.00 0.00 175.10 174.62 1s5u s ASP 115 N -3.02 6.36 0.40 4.85 2.15 -0.17 -1.11 116.67 126.14 1s5u s ASP 115 Ca 0.21 -0.19 0.15 0.00 0.43 0.00 0.00 52.55 53.15 1s5u s ASP 115 Cb 0.07 -2.33 1.01 0.00 -0.30 0.00 0.00 42.92 41.36 1s5u s ASP 115 CO 0.00 -0.77 1.86 1.55 -0.17 0.00 0.00 175.17 177.65 1s5u h PRO 116 N 8.81 0.47 -0.23 4.34 0.13 -1.88 0.77 132.00 144.40 1s5u h PRO 116 Ca -0.25 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 64.74 1s5u h PRO 116 Cb 1.10 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 1s5u h PRO 116 CO 0.89 0.31 -0.33 -0.07 -0.23 0.00 0.00 178.00 178.57 1s5u h LEU 117 N 0.48 0.50 -0.42 1.56 3.38 -1.92 -3.21 115.31 115.68 1s5u h LEU 117 Ca 0.46 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1s5u h LEU 117 Cb 1.03 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1s5u h LEU 117 CO -0.19 0.80 -0.36 0.29 0.09 0.00 0.00 178.44 179.08 1s5u n LYS 118 N -4.07 2.68 -3.94 1.13 5.02 -1.01 -4.99 118.16 112.98 1s5u n LYS 118 Ca -0.01 -0.35 -0.31 0.00 -2.02 0.00 0.00 58.31 55.62 1s5u n LYS 118 Cb 0.46 -1.07 0.02 0.00 -0.02 0.00 0.00 35.03 34.42 1s5u n LYS 118 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1s5u n MET 119 N -0.70 -5.39 -4.95 1.97 2.81 0.26 -4.97 117.12 106.16 1s5u n MET 119 Ca 0.03 0.58 -0.32 0.00 -1.81 0.00 0.00 57.70 56.18 1s5u n MET 119 Cb 0.20 -5.47 -0.14 0.00 -0.71 0.00 0.00 33.22 27.11 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 -6.65 2.64 0.51 0.03 -2.85 -1.15 -4.89 119.74 107.39 1s5u s LYS 120 Ca 0.67 -0.74 -0.21 0.00 -1.00 0.00 0.00 55.97 54.69 1s5u s LYS 120 Cb -0.34 -2.37 -0.08 0.00 -2.06 0.00 0.00 37.83 32.98 1s5u s LYS 120 CO 0.84 0.51 0.97 -2.30 0.10 0.00 0.00 175.35 175.47 1s5u n PRO 121 N 2.63 1.14 -3.89 1.78 -0.02 -1.26 -0.99 135.00 134.39 1s5u n PRO 121 Ca -0.17 0.42 -0.10 0.00 -2.02 0.00 0.00 63.50 61.63 1s5u n PRO 121 Cb 0.52 -2.09 -0.09 0.00 -0.02 0.00 0.00 33.50 31.82 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 -2.33 0.64 0.40 -0.52 1.70 -0.47 -4.75 118.95 113.62 1s5u s ARG 122 Ca 0.68 -0.69 -0.27 0.00 -0.47 0.00 0.00 55.73 54.98 1s5u s ARG 122 Cb -0.49 0.26 -0.10 0.00 -0.57 0.00 0.00 34.95 34.05 1s5u s ARG 122 CO 0.53 -0.17 1.46 0.00 -1.08 0.00 0.00 175.30 176.04 1s5u n ALA 123 N 0.73 2.22 -1.75 7.88 0.00 -1.26 -4.50 120.51 123.82 1s5u n ALA 123 Ca -0.19 0.31 -0.42 0.00 0.00 0.00 0.00 53.44 53.14 1s5u n ALA 123 Cb 0.59 -2.40 -0.01 0.00 0.00 0.00 0.00 19.45 17.62 1s5u n ALA 123 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1s5u n LEU 124 N 0.22 4.42 -4.72 0.00 4.77 -0.63 -4.90 117.00 116.16 1s5u n LEU 124 Ca 0.03 1.18 -0.40 0.00 -0.03 0.00 0.00 56.01 56.79 1s5u n LEU 124 Cb 0.40 -1.59 0.03 0.00 -2.33 0.00 0.00 43.42 39.92 1s5u n LEU 124 CO 0.62 0.09 0.92 -2.65 -1.33 0.00 0.00 177.39 175.04 1s5u n PRO 125 N 1.35 1.85 -0.14 3.23 -0.02 -1.26 -4.85 135.00 135.16 1s5u n PRO 125 Ca 0.05 0.67 -0.05 0.00 -2.02 0.00 0.00 63.50 62.15 1s5u n PRO 125 Cb 0.37 -2.47 0.13 0.00 -0.02 0.00 0.00 33.50 31.51 1s5u n PRO 125 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1s5u h LYS 126 N 1.82 0.87 -0.48 -0.52 1.57 -1.99 -2.00 116.57 115.85 1s5u h LYS 126 Ca -0.49 -0.24 0.06 0.00 -1.87 0.00 0.00 60.65 58.10 1s5u h LYS 126 Cb 1.30 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 1s5u h LYS 126 CO 0.59 0.86 0.32 0.66 -0.57 0.00 0.00 179.45 181.31 1s5u h SER 127 N 0.81 0.37 0.18 0.86 4.64 -1.99 0.29 113.55 118.70 1s5u h SER 127 Ca 0.16 -0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.17 1s5u h SER 127 Cb 0.47 -0.08 0.03 0.00 -0.31 0.00 0.00 62.40 62.51 1s5u h SER 127 CO 0.02 0.24 -1.32 0.40 -0.87 0.00 0.00 176.83 175.30 1s5u h ILE 128 N 0.42 1.29 -0.70 0.95 2.04 -1.82 -3.03 117.51 116.66 1s5u h ILE 128 Ca 0.21 -2.56 -0.06 0.00 1.00 0.00 0.00 64.86 63.45 1s5u h ILE 128 Cb 0.29 2.87 -0.03 0.00 -0.74 0.00 0.00 36.82 39.21 1s5u h ILE 128 CO -0.05 0.77 0.20 0.58 0.00 0.00 0.00 178.15 179.65 1s5u h VAL 129 N 0.19 1.26 -0.87 1.67 2.07 -0.64 -0.71 116.25 119.21 1s5u h VAL 129 Ca -0.22 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.41 1s5u h VAL 129 Cb 2.01 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 32.26 1s5u h VAL 129 CO 0.25 0.36 0.57 0.00 0.02 0.00 0.00 177.57 178.77 1s5u h ALA 130 N 1.09 1.15 -0.05 1.67 0.00 -0.50 -2.82 119.26 119.80 1s5u h ALA 130 Ca 0.22 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 1s5u h ALA 130 Cb 0.33 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1s5u h ALA 130 CO -0.00 0.43 -0.71 1.49 0.00 0.00 0.00 179.25 180.45 1s5u h GLU 131 N 1.11 0.57 -0.00 0.00 4.57 -1.37 -3.51 114.58 115.94 1s5u h GLU 131 Ca 0.34 -0.55 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 1s5u h GLU 131 Cb -0.01 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1s5u h GLU 131 CO -0.11 1.17 0.00 1.19 -1.18 0.00 0.00 179.01 180.08