#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x82 s LYS 3 N 0.00 2.77 -0.13 -0.72 1.02 -1.26 -4.94 119.74 116.49 1x82 s LYS 3 Ca 0.00 2.09 -0.29 0.00 0.02 0.00 0.00 55.97 57.79 1x82 s LYS 3 Cb 0.00 -1.98 -0.02 0.00 -0.52 0.00 0.00 37.83 35.31 1x82 s LYS 3 CO 0.00 -1.44 1.22 -2.00 -0.92 0.00 0.00 175.35 172.21 1x82 s GLU 4 N -3.23 4.28 0.65 1.68 2.56 -1.26 -5.02 118.70 118.36 1x82 s GLU 4 Ca 0.79 1.64 -0.17 0.00 0.00 0.00 0.00 54.97 57.22 1x82 s GLU 4 Cb -0.38 -3.67 -0.01 0.00 2.00 0.00 0.00 34.13 32.08 1x82 s GLU 4 CO 0.41 -0.59 1.24 -2.14 -0.56 0.00 0.00 175.26 173.63 1x82 s PRO 5 N 2.95 2.57 0.11 4.30 0.02 -1.26 -5.05 135.00 138.64 1x82 s PRO 5 Ca 0.54 1.91 -0.16 0.00 0.02 0.00 0.00 61.00 63.32 1x82 s PRO 5 Cb -0.22 -1.87 0.03 0.00 0.02 0.00 0.00 34.50 32.46 1x82 s PRO 5 CO 0.17 -1.54 0.38 -0.59 -0.33 0.00 0.00 177.00 175.09 1x82 s PHE 6 N -1.61 -0.17 0.06 6.54 -0.71 -1.26 -5.16 117.98 115.66 1x82 s PHE 6 Ca 0.79 -0.11 0.07 0.00 -1.04 0.00 0.00 56.93 56.63 1x82 s PHE 6 Cb -0.33 0.22 -0.03 0.00 -1.21 0.00 0.00 43.02 41.66 1x82 s PHE 6 CO 0.39 -0.66 -0.15 0.20 -1.34 0.00 0.00 175.22 173.65 1x82 s GLY 7 N -2.69 1.65 0.01 1.99 0.00 -1.26 -5.14 107.32 101.88 1x82 s GLY 7 Ca 0.02 -1.20 0.04 0.00 0.00 0.00 0.00 44.72 43.58 1x82 s GLY 7 CO -0.10 -1.12 -0.12 -1.34 0.00 0.00 0.00 173.10 170.42 1x82 s VAL 8 N -1.01 0.95 -0.11 1.40 -7.23 -1.26 -5.13 120.40 108.01 1x82 s VAL 8 Ca 0.16 -0.70 -0.30 0.00 -1.81 0.00 0.00 61.98 59.34 1x82 s VAL 8 Cb -0.11 -0.83 -0.01 0.00 0.56 0.00 0.00 36.38 35.99 1x82 s VAL 8 CO 0.08 0.13 1.03 -0.54 -0.31 0.00 0.00 175.10 175.48 1x82 s LYS 9 N -0.65 4.40 -0.17 4.82 1.02 -1.26 -4.99 119.74 122.91 1x82 s LYS 9 Ca 0.03 1.42 -0.02 0.00 0.02 0.00 0.00 55.97 57.41 1x82 s LYS 9 Cb -0.06 -3.55 -0.01 0.00 -0.52 0.00 0.00 37.83 33.69 1x82 s LYS 9 CO 0.00 -0.35 -0.07 0.08 -0.92 0.00 0.00 175.35 174.09 1x82 s VAL 10 N 2.11 3.37 -0.48 3.17 1.01 -1.26 -2.46 120.40 125.86 1x82 s VAL 10 Ca 0.49 -0.52 -0.24 0.00 0.00 0.00 0.00 61.98 61.70 1x82 s VAL 10 Cb -0.19 -2.48 0.03 0.00 0.00 0.00 0.00 36.38 33.74 1x82 s VAL 10 CO 0.18 0.48 0.89 -0.62 0.00 0.00 0.00 175.10 176.02 1x82 s ASP 11 N 0.83 6.44 0.32 3.32 -1.08 -1.03 -4.92 116.67 120.54 1x82 s ASP 11 Ca -0.02 -0.06 0.25 0.00 -0.52 0.00 0.00 52.55 52.20 1x82 s ASP 11 Cb -0.15 -2.43 1.09 0.00 -1.46 0.00 0.00 42.92 39.98 1x82 s ASP 11 CO 0.01 -1.06 1.76 -0.26 0.52 0.00 0.00 175.17 176.14 1x82 h PHE 12 N 9.11 0.00 0.00 -5.34 -1.00 -1.96 0.29 116.94 118.04 1x82 h PHE 12 Ca -0.25 0.00 -0.24 0.00 2.81 0.00 0.00 57.97 60.29 1x82 h PHE 12 Cb 1.08 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.60 1x82 h PHE 12 CO 0.86 0.00 -1.30 0.93 -1.61 0.00 0.00 178.31 177.19 1x82 h GLU 13 N 0.00 0.00 0.00 1.51 4.39 -1.93 -3.40 114.58 115.15 1x82 h GLU 13 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1x82 h GLU 13 Cb 0.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1x82 h GLU 13 CO 0.00 0.77 -0.83 0.25 -1.16 0.00 0.00 179.01 178.04 1x82 n THR 14 N -3.22 0.00 -0.92 1.13 -2.24 -1.05 -5.02 114.28 102.97 1x82 n THR 14 Ca -0.07 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1x82 n THR 14 Cb 0.98 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 1x82 n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x82 n GLY 15 N 1.73 0.38 3.70 3.38 0.00 0.98 -4.90 105.19 110.46 1x82 n GLY 15 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1x82 n GLY 15 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x82 s ILE 16 N -1.95 4.86 -0.28 -0.61 1.01 -1.25 -4.76 121.20 118.22 1x82 s ILE 16 Ca 0.00 2.03 -0.15 0.00 0.00 0.00 0.00 60.65 62.53 1x82 s ILE 16 Cb 0.00 -4.31 -0.03 0.00 0.01 0.00 0.00 42.46 38.13 1x82 s ILE 16 CO 0.00 0.13 0.38 -0.63 0.00 0.00 0.00 174.94 174.82 1x82 s ILE 17 N 1.23 5.17 0.16 2.92 1.01 -1.26 -2.46 121.20 127.97 1x82 s ILE 17 Ca 0.51 0.54 -0.34 0.00 0.00 0.00 0.00 60.65 61.36 1x82 s ILE 17 Cb -0.20 -3.71 -0.14 0.00 0.01 0.00 0.00 42.46 38.41 1x82 s ILE 17 CO 0.25 0.13 1.53 -0.62 0.00 0.00 0.00 174.94 176.23 1x82 n GLU 18 N 5.35 2.00 -0.96 2.79 1.02 -1.03 -2.28 120.64 127.53 1x82 n GLU 18 Ca -0.08 0.72 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 1x82 n GLU 18 Cb 0.51 -2.46 0.00 0.00 -0.02 0.00 0.00 31.44 29.46 1x82 n GLU 18 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x82 n GLY 19 N 3.16 0.42 0.10 0.62 0.00 -1.26 -4.85 105.19 103.37 1x82 n GLY 19 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 1x82 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x82 h ALA 20 N 0.00 0.53 -1.55 4.61 0.00 -1.81 -3.51 119.26 117.54 1x82 h ALA 20 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 54.91 53.59 1x82 h ALA 20 Cb 0.25 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1x82 h ALA 20 CO 0.00 1.38 0.00 1.17 0.00 0.00 0.00 179.25 181.80 1x82 n LYS 21 N -3.28 0.00 -2.16 0.00 4.81 -1.26 -4.59 118.16 111.67 1x82 n LYS 21 Ca -0.20 0.38 -0.42 0.00 -0.87 0.00 0.00 58.31 57.21 1x82 n LYS 21 Cb 1.04 -0.39 -0.03 0.00 0.02 0.00 0.00 35.03 35.67 1x82 n LYS 21 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1x82 s LYS 22 N -1.74 4.34 -0.14 1.64 2.20 -1.26 -4.54 119.74 120.25 1x82 s LYS 22 Ca 0.00 2.11 -0.06 0.00 -0.36 0.00 0.00 55.97 57.67 1x82 s LYS 22 Cb 0.00 -3.19 -0.04 0.00 -1.51 0.00 0.00 37.83 33.09 1x82 s LYS 22 CO 0.00 -0.35 0.06 0.45 -0.36 0.00 0.00 175.35 175.15 1x82 s SER 23 N 0.60 5.66 -0.13 1.43 0.15 -0.12 -4.96 113.70 116.33 1x82 s SER 23 Ca 0.60 0.18 0.03 0.00 0.70 0.00 0.00 55.95 57.46 1x82 s SER 23 Cb -0.38 -1.83 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 1x82 s SER 23 CO 0.36 0.29 -0.22 -0.69 1.20 0.00 0.00 173.24 174.18 1x82 s VAL 24 N -0.34 2.14 -0.32 4.45 1.01 -1.26 -0.92 120.40 125.15 1x82 s VAL 24 Ca 0.09 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 1x82 s VAL 24 Cb -0.12 -1.84 0.04 0.00 0.00 0.00 0.00 36.38 34.46 1x82 s VAL 24 CO 0.02 0.55 0.07 -0.13 0.00 0.00 0.00 175.10 175.61 1x82 s ARG 25 N 0.63 2.64 0.51 2.72 1.81 -0.18 -5.03 118.95 122.04 1x82 s ARG 25 Ca -0.11 -1.15 -0.03 0.00 -1.72 0.00 0.00 55.73 52.71 1x82 s ARG 25 Cb -0.16 -3.37 -0.00 0.00 -0.45 0.00 0.00 34.95 30.97 1x82 s ARG 25 CO 0.02 -0.62 0.78 1.03 -0.68 0.00 0.00 175.30 175.83 1x82 s ARG 26 N 1.38 3.08 0.37 3.54 0.52 -1.26 -1.27 118.95 125.30 1x82 s ARG 26 Ca -0.02 -0.20 0.08 0.00 -0.52 0.00 0.00 55.73 55.07 1x82 s ARG 26 Cb -0.19 -2.42 0.81 0.00 0.52 0.00 0.00 34.95 33.67 1x82 s ARG 26 CO 0.02 -0.42 1.91 1.25 0.02 0.00 0.00 175.30 178.07 1x82 h LEU 27 N 0.15 0.63 -2.13 2.53 5.85 -1.45 -0.93 115.31 119.95 1x82 h LEU 27 Ca -0.46 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1x82 h LEU 27 Cb 1.25 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1x82 h LEU 27 CO 0.59 0.36 0.00 0.77 -0.34 0.00 0.00 178.44 179.82 1x82 h SER 28 N 0.69 0.00 0.00 1.25 4.64 -1.89 -3.37 113.55 114.86 1x82 h SER 28 Ca 0.39 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.53 1x82 h SER 28 Cb 0.55 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.58 1x82 h SER 28 CO -0.15 0.00 -0.36 0.47 -0.87 0.00 0.00 176.83 175.92 1x82 n ASP 29 N -2.97 5.16 0.00 4.97 8.00 -0.36 -5.09 116.55 126.26 1x82 n ASP 29 Ca -0.01 -2.46 0.00 0.00 0.71 0.00 0.00 54.79 53.03 1x82 n ASP 29 Cb 0.17 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 39.89 1x82 n ASP 29 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1x82 n GLU 31 N 2.47 0.00 -0.94 -1.24 2.13 -1.26 -5.00 120.64 116.80 1x82 n GLU 31 Ca 0.41 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.23 1x82 n GLU 31 Cb 0.89 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.60 1x82 n GLU 31 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1x82 n GLY 32 N -0.00 0.48 0.10 8.31 0.00 -1.26 -4.95 105.19 107.88 1x82 n GLY 32 Ca 0.00 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 1x82 n GLY 32 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1x82 n TYR 33 N -2.94 0.00 -3.72 1.61 4.02 -1.26 -4.89 117.16 109.98 1x82 n TYR 33 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.58 1x82 n TYR 33 Cb 0.00 -0.86 -0.04 0.00 -0.02 0.00 0.00 39.34 38.41 1x82 n TYR 33 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1x82 s PHE 34 N -2.44 3.48 0.20 -0.72 0.40 -1.26 -4.99 117.98 112.65 1x82 s PHE 34 Ca -0.22 0.47 -0.09 0.00 -0.60 0.00 0.00 56.93 56.49 1x82 s PHE 34 Cb 0.07 -1.94 0.11 0.00 0.51 0.00 0.00 43.02 41.77 1x82 s PHE 34 CO 0.59 0.45 1.72 0.28 0.70 0.00 0.00 175.22 178.96 1x82 h VAL 35 N 1.97 1.26 -3.09 -0.44 2.07 -1.95 -3.36 116.25 112.71 1x82 h VAL 35 Ca -0.46 -0.95 -0.74 0.00 0.82 0.00 0.00 66.70 65.37 1x82 h VAL 35 Cb 1.17 0.54 -0.22 0.00 -1.52 0.00 0.00 31.29 31.26 1x82 h VAL 35 CO 0.72 0.37 0.51 -0.62 0.02 0.00 0.00 177.57 178.57 1x82 s ASP 36 N -6.41 6.75 0.38 0.57 -1.08 -1.26 -4.88 116.67 110.74 1x82 s ASP 36 Ca -0.12 -2.46 0.10 0.00 -0.52 0.00 0.00 52.55 49.55 1x82 s ASP 36 Cb 0.14 -2.31 0.76 0.00 -1.46 0.00 0.00 42.92 40.06 1x82 s ASP 36 CO 0.84 -0.79 1.88 -0.08 0.52 0.00 0.00 175.17 177.55 1x82 h GLU 37 N 8.17 0.17 -0.16 4.34 4.22 -1.98 -1.75 114.58 127.57 1x82 h GLU 37 Ca 0.15 -0.05 -0.19 0.00 0.08 0.00 0.00 59.36 59.35 1x82 h GLU 37 Cb 1.02 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 1x82 h GLU 37 CO 0.95 0.38 -0.66 0.00 -2.18 0.00 0.00 179.01 177.50 1x82 h ARG 38 N 0.15 0.62 -0.67 1.92 3.08 -1.95 -1.90 114.38 115.64 1x82 h ARG 38 Ca 0.03 -0.46 -0.06 0.00 0.07 0.00 0.00 59.98 59.56 1x82 h ARG 38 Cb 0.47 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 1x82 h ARG 38 CO 0.03 1.08 0.16 0.00 -1.07 0.00 0.00 179.97 180.17 1x82 h ALA 39 N 0.81 0.88 -0.10 0.04 0.00 -1.85 -1.00 119.26 118.04 1x82 h ALA 39 Ca -0.02 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.68 1x82 h ALA 39 Cb 1.25 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1x82 h ALA 39 CO 0.13 0.60 -0.07 2.35 0.00 0.00 0.00 179.25 182.26 1x82 h TRP 40 N 1.00 -0.16 -0.72 0.00 7.01 -1.23 -1.82 115.95 120.02 1x82 h TRP 40 Ca 0.21 0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.16 1x82 h TRP 40 Cb 0.36 0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.48 1x82 h TRP 40 CO 0.03 -0.11 0.20 -0.22 -2.79 0.00 0.00 178.44 175.55 1x82 h LYS 41 N -0.07 1.13 -0.44 2.65 1.63 -1.03 -1.73 116.57 118.71 1x82 h LYS 41 Ca 0.06 -0.25 -0.06 0.00 -0.85 0.00 0.00 60.65 59.54 1x82 h LYS 41 Cb 0.16 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.62 1x82 h LYS 41 CO -0.14 0.98 0.02 1.49 -3.45 0.00 0.00 179.45 178.35 1x82 h GLU 42 N 1.08 0.76 -0.13 1.90 4.81 -1.06 -1.67 114.58 120.27 1x82 h GLU 42 Ca 0.23 -0.23 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 1x82 h GLU 42 Cb 0.34 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1x82 h GLU 42 CO -0.00 0.81 -0.43 1.25 -0.73 0.00 0.00 179.01 179.91 1x82 h LEU 43 N 0.61 0.31 -0.23 1.64 5.85 -1.10 -1.17 115.31 121.22 1x82 h LEU 43 Ca 0.13 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1x82 h LEU 43 Cb 0.46 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1x82 h LEU 43 CO 0.02 0.71 0.11 0.58 -0.34 0.00 0.00 178.44 179.52 1x82 h VAL 44 N 0.24 1.14 -0.73 1.05 2.07 -1.18 -0.49 116.25 118.34 1x82 h VAL 44 Ca 0.02 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 1x82 h VAL 44 Cb 0.87 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 1x82 h VAL 44 CO 0.07 0.13 0.45 -0.33 0.02 0.00 0.00 177.57 177.92 1x82 h GLU 45 N 0.25 0.98 0.01 1.57 4.39 -0.94 -2.54 114.58 118.30 1x82 h GLU 45 Ca 0.08 -0.08 -0.22 0.00 0.34 0.00 0.00 59.36 59.48 1x82 h GLU 45 Cb 0.11 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 1x82 h GLU 45 CO -0.01 0.68 -1.05 0.87 -1.16 0.00 0.00 179.01 178.34 1x82 h LYS 46 N 0.99 0.01 0.00 2.33 1.79 -1.18 -3.44 116.57 117.08 1x82 h LYS 46 Ca 0.26 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 1x82 h LYS 46 Cb -0.06 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.60 1x82 h LYS 46 CO -0.05 0.99 0.00 -1.91 -1.08 0.00 0.00 179.45 177.39 1x82 n GLU 47 N -3.34 0.00 -3.81 3.15 2.13 -0.60 -5.07 120.64 113.10 1x82 n GLU 47 Ca -0.01 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.49 1x82 n GLU 47 Cb 0.95 -0.27 0.02 0.00 0.27 0.00 0.00 31.44 32.41 1x82 n GLU 47 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1x82 n ASP 48 N -1.65 -4.95 -4.78 4.31 2.03 -0.29 -4.93 116.55 106.29 1x82 n ASP 48 Ca 0.00 -1.02 -0.32 0.00 0.52 0.00 0.00 54.79 53.98 1x82 n ASP 48 Cb 0.00 -2.28 0.06 0.00 -0.72 0.00 0.00 41.12 38.18 1x82 n ASP 48 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1x82 s PRO 49 N -5.81 2.63 0.06 -0.67 0.04 -1.26 -4.59 135.00 125.39 1x82 s PRO 49 Ca 0.25 1.22 -0.31 0.00 0.04 0.00 0.00 61.00 62.21 1x82 s PRO 49 Cb -0.12 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.41 1x82 s PRO 49 CO 0.90 -1.36 1.45 0.08 0.04 0.00 0.00 177.00 178.11 1x82 s VAL 50 N -2.68 3.41 -0.20 -0.36 1.01 -1.26 -1.32 120.40 119.00 1x82 s VAL 50 Ca 0.63 0.90 -0.23 0.00 0.00 0.00 0.00 61.98 63.29 1x82 s VAL 50 Cb -0.18 -3.58 -0.20 0.00 0.00 0.00 0.00 36.38 32.42 1x82 s VAL 50 CO 0.49 0.02 0.31 0.58 0.00 0.00 0.00 175.10 176.50 1x82 h VAL 51 N 4.64 1.06 -3.26 2.92 2.07 -1.48 -3.44 116.25 118.77 1x82 h VAL 51 Ca -0.40 -2.21 -0.06 0.00 0.82 0.00 0.00 66.70 64.85 1x82 h VAL 51 Cb 1.19 2.42 -0.14 0.00 -1.52 0.00 0.00 31.29 33.24 1x82 h VAL 51 CO 0.90 0.36 -0.08 -0.72 0.02 0.00 0.00 177.57 178.05 1x82 s TYR 52 N -2.34 -0.23 0.01 1.57 -0.85 -1.03 -1.04 117.35 113.45 1x82 s TYR 52 Ca -0.27 0.01 0.07 0.00 -0.52 0.00 0.00 57.07 56.36 1x82 s TYR 52 Cb 0.04 0.25 -0.02 0.00 0.38 0.00 0.00 41.96 42.61 1x82 s TYR 52 CO 0.61 -0.66 -0.20 -1.21 -1.52 0.00 0.00 175.55 172.57 1x82 s GLU 53 N -3.33 1.48 -0.04 -3.49 2.02 -0.27 -1.01 118.70 114.05 1x82 s GLU 53 Ca 0.00 -0.82 0.04 0.00 0.02 0.00 0.00 54.97 54.20 1x82 s GLU 53 Cb 0.01 -1.51 0.00 0.00 0.10 0.00 0.00 34.13 32.73 1x82 s GLU 53 CO -0.09 0.40 -0.15 0.08 0.02 0.00 0.00 175.26 175.53 1x82 s VAL 54 N -0.64 1.26 -0.28 2.63 1.01 -0.10 -0.82 120.40 123.45 1x82 s VAL 54 Ca 0.07 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 1x82 s VAL 54 Cb -0.08 -1.09 0.04 0.00 0.00 0.00 0.00 36.38 35.25 1x82 s VAL 54 CO 0.01 0.37 -0.02 -0.31 0.00 0.00 0.00 175.10 175.14 1x82 s TYR 55 N 0.15 3.19 -0.03 5.22 1.51 -0.20 -0.95 117.35 126.24 1x82 s TYR 55 Ca -0.05 -1.76 0.07 0.00 -1.01 0.00 0.00 57.07 54.32 1x82 s TYR 55 Cb -0.11 -2.09 -0.02 0.00 -0.11 0.00 0.00 41.96 39.63 1x82 s TYR 55 CO 0.02 -0.78 -0.23 0.00 -1.11 0.00 0.00 175.55 173.45 1x82 s ALA 56 N 1.28 2.28 -0.28 3.71 0.00 -1.26 -1.02 121.76 126.46 1x82 s ALA 56 Ca -0.03 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 50.86 1x82 s ALA 56 Cb -0.19 -0.65 0.07 0.00 0.00 0.00 0.00 23.12 22.36 1x82 s ALA 56 CO -0.02 0.54 -0.06 0.08 0.00 0.00 0.00 175.76 176.30 1x82 s VAL 57 N -0.64 2.36 0.06 0.00 1.01 0.04 -4.87 120.40 118.35 1x82 s VAL 57 Ca 0.10 -1.73 0.08 0.00 0.00 0.00 0.00 61.98 60.43 1x82 s VAL 57 Cb -0.10 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 1x82 s VAL 57 CO -0.01 -0.16 -0.21 -1.61 0.00 0.00 0.00 175.10 173.11 1x82 s GLU 58 N 1.09 1.34 0.35 2.72 2.02 -1.26 -2.02 118.70 122.93 1x82 s GLU 58 Ca -0.04 -1.00 0.07 0.00 0.02 0.00 0.00 54.97 54.02 1x82 s GLU 58 Cb -0.20 -1.49 -0.01 0.00 0.10 0.00 0.00 34.13 32.52 1x82 s GLU 58 CO -0.05 0.37 0.41 -0.65 0.02 0.00 0.00 175.26 175.36 1x82 s GLN 59 N -1.34 2.92 0.25 1.61 -1.52 -1.26 -5.07 119.66 115.25 1x82 s GLN 59 Ca 0.07 -1.16 -0.30 0.00 -1.95 0.00 0.00 55.36 52.02 1x82 s GLN 59 Cb -0.09 -2.67 -0.14 0.00 -0.22 0.00 0.00 33.01 29.89 1x82 s GLN 59 CO 0.02 0.03 1.19 -1.91 -0.25 0.00 0.00 175.29 174.38 1x82 n GLU 60 N -1.55 1.60 -1.93 2.91 4.07 -1.26 -4.84 120.64 119.63 1x82 n GLU 60 Ca 0.00 0.56 -0.43 0.00 -0.06 0.00 0.00 57.16 57.24 1x82 n GLU 60 Cb 0.59 -2.07 -0.03 0.00 -0.06 0.00 0.00 31.44 29.87 1x82 n GLU 60 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 1x82 s GLU 61 N -1.01 3.45 -0.18 5.31 4.04 -1.26 -4.87 118.70 124.18 1x82 s GLU 61 Ca 0.64 1.66 -0.16 0.00 0.04 0.00 0.00 54.97 57.15 1x82 s GLU 61 Cb -0.71 -4.19 0.05 0.00 0.02 0.00 0.00 34.13 29.30 1x82 s GLU 61 CO 0.56 -1.72 0.47 0.21 -1.84 0.00 0.00 175.26 172.93 1x82 s LYS 62 N 5.49 0.54 0.27 -4.83 2.47 -1.26 -4.92 119.74 117.50 1x82 s LYS 62 Ca 0.82 0.65 -0.30 0.00 -1.56 0.00 0.00 55.97 55.58 1x82 s LYS 62 Cb -0.26 0.26 -0.12 0.00 -1.46 0.00 0.00 37.83 36.25 1x82 s LYS 62 CO 0.33 -0.07 1.50 -1.91 0.16 0.00 0.00 175.35 175.37 1x82 n GLU 63 N 2.85 2.38 0.00 4.03 2.13 -1.26 -2.70 120.64 128.06 1x82 n GLU 63 Ca -0.13 0.84 0.00 0.00 0.66 0.00 0.00 57.16 58.53 1x82 n GLU 63 Cb 0.57 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 29.71 1x82 n GLU 63 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1x82 n GLY 64 N 2.12 2.10 3.96 8.31 0.00 -1.26 -5.04 105.19 115.37 1x82 n GLY 64 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 1x82 n GLY 64 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x82 s ASP 65 N -2.30 5.30 -0.02 1.61 -1.08 -1.10 -4.98 116.67 114.11 1x82 s ASP 65 Ca 0.00 0.19 0.03 0.00 -0.52 0.00 0.00 52.55 52.24 1x82 s ASP 65 Cb 0.00 -1.09 -0.00 0.00 -1.46 0.00 0.00 42.92 40.37 1x82 s ASP 65 CO 0.00 -1.15 -0.09 -0.76 0.52 0.00 0.00 175.17 173.69 1x82 s LEU 66 N -4.84 1.89 0.22 -1.34 1.43 -1.26 -1.14 118.68 113.64 1x82 s LEU 66 Ca 0.56 -0.18 0.06 0.00 -1.03 0.00 0.00 54.13 53.54 1x82 s LEU 66 Cb -0.10 -0.52 -0.03 0.00 0.03 0.00 0.00 46.19 45.57 1x82 s LEU 66 CO 0.40 0.09 0.26 0.20 0.23 0.00 0.00 176.35 177.52 1x82 s ASN 67 N 0.01 5.89 0.05 2.29 0.01 0.32 -4.55 114.94 118.96 1x82 s ASN 67 Ca -0.00 -0.07 -0.06 0.00 -0.71 0.00 0.00 52.86 52.02 1x82 s ASN 67 Cb -0.06 -1.63 -0.01 0.00 0.41 0.00 0.00 41.25 39.96 1x82 s ASN 67 CO 0.00 -0.02 0.11 0.72 -1.51 0.00 0.00 177.10 176.39 1x82 s PHE 68 N -1.98 0.23 -0.11 2.20 -0.12 -0.86 -1.66 117.98 115.67 1x82 s PHE 68 Ca 0.33 -0.59 -0.25 0.00 -0.05 0.00 0.00 56.93 56.37 1x82 s PHE 68 Cb -0.09 -0.15 0.06 0.00 -0.63 0.00 0.00 43.02 42.21 1x82 s PHE 68 CO 0.27 -0.41 0.60 0.00 -0.05 0.00 0.00 175.22 175.62 1x82 s ALA 69 N -3.09 -1.53 0.13 1.99 0.00 -0.31 -0.78 121.76 118.17 1x82 s ALA 69 Ca -0.01 1.32 0.02 0.00 0.00 0.00 0.00 51.96 53.30 1x82 s ALA 69 Cb 0.02 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 1x82 s ALA 69 CO -0.07 -0.32 0.25 0.95 0.00 0.00 0.00 175.76 176.57 1x82 s THR 70 N -0.64 5.24 -0.02 0.00 -4.23 -0.19 -0.44 115.64 115.35 1x82 s THR 70 Ca -0.07 -0.66 0.04 0.00 -1.18 0.00 0.00 61.69 59.82 1x82 s THR 70 Cb -0.02 -3.66 -0.01 0.00 1.34 0.00 0.00 72.50 70.15 1x82 s THR 70 CO 0.06 -0.04 -0.15 -0.89 -0.54 0.00 0.00 174.62 173.06 1x82 s THR 71 N -1.68 1.22 -0.36 3.99 2.01 -0.64 -1.04 115.64 119.15 1x82 s THR 71 Ca 0.34 -0.64 -0.05 0.00 0.31 0.00 0.00 61.69 61.65 1x82 s THR 71 Cb -0.11 -1.04 0.06 0.00 0.01 0.00 0.00 72.50 71.42 1x82 s THR 71 CO 0.28 0.35 0.13 -0.69 -0.69 0.00 0.00 174.62 174.00 1x82 s VAL 72 N -0.18 3.62 -0.40 3.82 1.01 -0.00 -2.37 120.40 125.89 1x82 s VAL 72 Ca 0.02 -1.41 -0.15 0.00 0.00 0.00 0.00 61.98 60.45 1x82 s VAL 72 Cb -0.08 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.15 1x82 s VAL 72 CO 0.00 -0.32 0.29 -0.22 0.00 0.00 0.00 175.10 174.85 1x82 s LEU 73 N 1.33 4.99 0.57 3.92 0.20 -0.23 -1.12 118.68 128.34 1x82 s LEU 73 Ca 0.00 -0.80 -0.16 0.00 0.69 0.00 0.00 54.13 53.86 1x82 s LEU 73 Cb -0.21 -2.16 -0.05 0.00 -0.43 0.00 0.00 46.19 43.34 1x82 s LEU 73 CO 0.01 -0.41 1.04 -0.31 -0.29 0.00 0.00 176.35 176.38 1x82 s TYR 74 N 1.70 3.11 0.32 5.38 2.02 -0.21 -1.03 117.35 128.64 1x82 s TYR 74 Ca 0.05 1.50 -0.27 0.00 -0.37 0.00 0.00 57.07 57.99 1x82 s TYR 74 Cb -0.19 -2.96 -0.09 0.00 -0.40 0.00 0.00 41.96 38.32 1x82 s TYR 74 CO 0.10 -0.92 0.99 -1.25 -1.57 0.00 0.00 175.55 172.90 1x82 s PRO 75 N -4.05 4.53 0.00 -1.71 0.04 -1.26 -4.77 135.00 127.77 1x82 s PRO 75 Ca 0.63 1.46 0.00 0.00 0.04 0.00 0.00 61.00 63.13 1x82 s PRO 75 Cb -0.15 -2.86 0.00 0.00 0.04 0.00 0.00 34.50 31.53 1x82 s PRO 75 CO 0.35 0.20 0.00 0.41 0.04 0.00 0.00 177.00 178.00 1x82 n GLY 76 N 0.73 1.59 3.01 0.56 0.00 -1.26 -5.00 105.19 104.82 1x82 n GLY 76 Ca 0.02 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 1x82 n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x82 s LYS 77 N -2.00 0.39 -0.41 1.61 1.02 -1.26 -1.33 119.74 117.76 1x82 s LYS 77 Ca 0.00 -0.64 -0.07 0.00 0.02 0.00 0.00 55.97 55.28 1x82 s LYS 77 Cb 0.00 -0.07 0.09 0.00 -0.52 0.00 0.00 37.83 37.33 1x82 s LYS 77 CO 0.00 -0.00 0.23 0.08 -0.92 0.00 0.00 175.35 174.73 1x82 s VAL 78 N -1.35 3.84 0.00 3.17 1.01 0.19 -4.92 120.40 122.34 1x82 s VAL 78 Ca -0.13 -1.63 0.00 0.00 0.00 0.00 0.00 61.98 60.22 1x82 s VAL 78 Cb -0.10 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.85 1x82 s VAL 78 CO -0.00 -0.55 0.00 0.61 0.00 0.00 0.00 175.10 175.16 1x82 n GLY 79 N 4.80 3.68 0.20 4.51 0.00 -1.26 -2.08 105.19 115.04 1x82 n GLY 79 Ca -0.08 0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.07 1x82 n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x82 n LYS 80 N 12.50 0.54 -3.29 1.61 5.02 -1.26 -4.96 118.16 128.33 1x82 n LYS 80 Ca 0.00 -0.40 -0.39 0.00 -2.02 0.00 0.00 58.31 55.49 1x82 n LYS 80 Cb 0.00 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.44 1x82 n LYS 80 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1x82 s GLU 81 N -2.74 4.09 0.48 1.97 2.12 -0.88 -1.41 118.70 122.33 1x82 s GLU 81 Ca 0.15 0.27 -0.24 0.00 0.36 0.00 0.00 54.97 55.51 1x82 s GLU 81 Cb 0.18 -3.62 -0.07 0.00 0.26 0.00 0.00 34.13 30.87 1x82 s GLU 81 CO 0.67 -0.26 1.35 -0.06 -0.54 0.00 0.00 175.26 176.43 1x82 s PHE 82 N 2.01 2.51 0.31 5.30 0.40 -1.00 -0.63 117.98 126.88 1x82 s PHE 82 Ca 0.20 1.36 -0.27 0.00 -0.60 0.00 0.00 56.93 57.62 1x82 s PHE 82 Cb -0.15 -3.77 -0.13 0.00 0.51 0.00 0.00 43.02 39.47 1x82 s PHE 82 CO 0.09 -2.61 1.00 1.19 0.70 0.00 0.00 175.22 175.59 1x82 n PHE 83 N -0.44 1.21 -4.01 0.36 3.01 -0.44 -4.83 117.46 112.31 1x82 n PHE 83 Ca 0.07 0.68 -0.10 0.00 1.01 0.00 0.00 57.45 59.11 1x82 n PHE 83 Cb 0.44 -2.24 -0.07 0.00 -0.01 0.00 0.00 39.48 37.60 1x82 n PHE 83 CO 0.00 0.00 0.00 -0.59 1.01 0.00 0.00 176.76 177.18 1x82 s PHE 84 N -1.10 0.49 0.57 1.38 -0.12 -1.26 -1.88 117.98 116.06 1x82 s PHE 84 Ca 0.59 -0.83 -0.12 0.00 -0.05 0.00 0.00 56.93 56.52 1x82 s PHE 84 Cb -0.68 -0.01 -0.05 0.00 -0.63 0.00 0.00 43.02 41.65 1x82 s PHE 84 CO 0.60 -0.84 0.99 0.95 -0.05 0.00 0.00 175.22 176.87 1x82 s THR 85 N -4.02 4.68 0.22 -4.49 -4.23 -0.51 -4.91 115.64 102.37 1x82 s THR 85 Ca 0.23 0.92 -0.08 0.00 -1.18 0.00 0.00 61.69 61.57 1x82 s THR 85 Cb 0.02 -3.82 0.17 0.00 1.34 0.00 0.00 72.50 70.20 1x82 s THR 85 CO 0.06 -0.98 1.73 0.11 -0.54 0.00 0.00 174.62 175.00 1x82 h LYS 86 N 0.11 0.36 0.00 3.99 1.57 -1.94 -3.43 116.57 117.23 1x82 h LYS 86 Ca -0.45 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1x82 h LYS 86 Cb 1.19 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1x82 h LYS 86 CO 0.62 0.24 0.00 0.41 -0.57 0.00 0.00 179.45 180.15 1x82 n GLY 87 N -1.31 -1.20 3.49 3.86 0.00 -1.26 -4.89 105.19 103.88 1x82 n GLY 87 Ca 0.10 -1.41 -0.13 0.00 0.00 0.00 0.00 46.02 44.58 1x82 n GLY 87 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1x82 s HIS 88 N -2.95 -0.53 0.50 1.61 -3.43 -1.10 -4.70 115.29 104.68 1x82 s HIS 88 Ca 0.00 0.64 -0.06 0.00 -0.80 0.00 0.00 55.06 54.84 1x82 s HIS 88 Cb 0.00 0.49 -0.04 0.00 -1.43 0.00 0.00 32.58 31.60 1x82 s HIS 88 CO 0.00 -0.65 0.81 -0.06 -2.00 0.00 0.00 174.74 172.85 1x82 s PHE 89 N -2.38 3.57 0.52 0.38 0.08 -0.80 -2.13 117.98 117.24 1x82 s PHE 89 Ca -0.03 0.87 -0.18 0.00 0.12 0.00 0.00 56.93 57.71 1x82 s PHE 89 Cb -0.01 -2.35 -0.07 0.00 -0.57 0.00 0.00 43.02 40.02 1x82 s PHE 89 CO -0.02 -0.32 1.04 -1.01 -0.10 0.00 0.00 175.22 174.81 1x82 s HIS 90 N -2.78 3.01 0.10 0.36 3.76 -1.26 -0.21 115.29 118.27 1x82 s HIS 90 Ca 0.48 1.55 -0.16 0.00 -0.15 0.00 0.00 55.06 56.78 1x82 s HIS 90 Cb -0.10 -3.04 -0.07 0.00 1.11 0.00 0.00 32.58 30.48 1x82 s HIS 90 CO 0.46 -0.92 1.46 0.00 -0.85 0.00 0.00 174.74 174.89 1x82 h ALA 91 N 1.14 0.43 -1.74 -1.40 0.00 -1.08 -3.33 119.26 113.27 1x82 h ALA 91 Ca -0.48 -0.33 -0.65 0.00 0.00 0.00 0.00 54.91 53.44 1x82 h ALA 91 Cb 1.22 -0.10 -0.16 0.00 0.00 0.00 0.00 17.79 18.75 1x82 h ALA 91 CO 0.59 0.33 0.48 0.15 0.00 0.00 0.00 179.25 180.79 1x82 s LYS 92 N -4.59 3.15 0.43 0.00 1.02 -0.62 -4.95 119.74 114.17 1x82 s LYS 92 Ca -0.13 -1.04 0.09 0.00 0.02 0.00 0.00 55.97 54.92 1x82 s LYS 92 Cb 0.09 -4.31 0.95 0.00 -0.52 0.00 0.00 37.83 34.03 1x82 s LYS 92 CO 0.80 -1.75 2.06 -0.07 -0.92 0.00 0.00 175.35 175.47 1x82 h LEU 93 N 10.95 0.39 -0.02 3.17 3.38 -1.86 -2.59 115.31 128.73 1x82 h LEU 93 Ca -0.24 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1x82 h LEU 93 Cb 1.07 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1x82 h LEU 93 CO 1.16 0.27 0.00 -0.90 0.09 0.00 0.00 178.44 179.06 1x82 n ASP 94 N -4.48 0.03 -4.77 -0.43 3.85 -1.26 -0.54 116.55 108.94 1x82 n ASP 94 Ca 0.03 -1.39 -0.38 0.00 -0.71 0.00 0.00 54.79 52.34 1x82 n ASP 94 Cb 0.11 -0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 39.85 1x82 n ASP 94 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1x82 s ARG 95 N -2.00 4.29 0.50 0.11 3.00 -0.98 -4.40 118.95 119.47 1x82 s ARG 95 Ca 0.29 1.68 0.07 0.00 0.00 0.00 0.00 55.73 57.77 1x82 s ARG 95 Cb 0.13 -2.78 0.04 0.00 0.00 0.00 0.00 34.95 32.35 1x82 s ARG 95 CO 0.23 -0.07 0.68 0.00 0.00 0.00 0.00 175.30 176.14 1x82 s ALA 96 N -1.45 4.47 0.11 2.13 0.00 -1.26 -4.14 121.76 121.63 1x82 s ALA 96 Ca 0.53 -1.78 0.01 0.00 0.00 0.00 0.00 51.96 50.72 1x82 s ALA 96 Cb -0.27 -1.65 -0.04 0.00 0.00 0.00 0.00 23.12 21.16 1x82 s ALA 96 CO 0.34 -0.58 -0.02 -1.21 0.00 0.00 0.00 175.76 174.30 1x82 s GLU 97 N -4.54 0.85 -0.08 0.00 2.02 -0.49 -4.17 118.70 112.29 1x82 s GLU 97 Ca 0.58 -1.36 0.02 0.00 0.02 0.00 0.00 54.97 54.22 1x82 s GLU 97 Cb -0.08 -0.03 0.02 0.00 0.10 0.00 0.00 34.13 34.13 1x82 s GLU 97 CO 0.36 -0.11 -0.11 0.08 0.02 0.00 0.00 175.26 175.50 1x82 s VAL 98 N -3.78 1.12 0.04 2.63 1.01 -0.60 -0.99 120.40 119.83 1x82 s VAL 98 Ca 0.15 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.74 1x82 s VAL 98 Cb 0.07 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 1x82 s VAL 98 CO -0.03 0.36 -0.09 -0.31 0.00 0.00 0.00 175.10 175.03 1x82 s TYR 99 N 0.94 2.82 -0.19 5.22 1.51 -0.42 -0.69 117.35 126.53 1x82 s TYR 99 Ca -0.09 -0.09 0.01 0.00 -1.01 0.00 0.00 57.07 55.88 1x82 s TYR 99 Cb -0.15 -1.54 0.04 0.00 -0.11 0.00 0.00 41.96 40.20 1x82 s TYR 99 CO 0.00 0.37 -0.10 0.08 -1.11 0.00 0.00 175.55 174.80 1x82 s VAL 100 N -1.06 1.56 0.16 0.71 1.01 0.97 -0.84 120.40 122.91 1x82 s VAL 100 Ca 0.18 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.96 1x82 s VAL 100 Cb -0.11 -1.63 -0.07 0.00 0.00 0.00 0.00 36.38 34.57 1x82 s VAL 100 CO 0.09 0.21 1.12 0.00 0.00 0.00 0.00 175.10 176.52 1x82 s ALA 101 N 1.44 3.37 -0.06 5.51 0.00 -0.23 -1.27 121.76 130.52 1x82 s ALA 101 Ca -0.00 0.82 0.01 0.00 0.00 0.00 0.00 51.96 52.80 1x82 s ALA 101 Cb -0.16 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 1x82 s ALA 101 CO -0.08 -0.25 -0.04 1.28 0.00 0.00 0.00 175.76 176.66 1x82 n LEU 102 N 2.61 2.35 -3.64 0.00 4.77 0.02 -1.53 117.00 121.58 1x82 n LEU 102 Ca 0.04 -0.03 -0.15 0.00 -0.03 0.00 0.00 56.01 55.84 1x82 n LEU 102 Cb 0.46 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.33 1x82 n LEU 102 CO 0.54 0.50 0.28 -0.75 -1.33 0.00 0.00 177.39 176.63 1x82 s LYS 103 N -2.13 0.82 0.92 3.23 2.20 -0.93 -4.71 119.74 119.14 1x82 s LYS 103 Ca -0.07 0.37 0.00 0.00 -0.36 0.00 0.00 55.97 55.91 1x82 s LYS 103 Cb 0.02 0.39 0.00 0.00 -1.51 0.00 0.00 37.83 36.73 1x82 s LYS 103 CO 0.16 -0.20 0.00 0.41 -0.36 0.00 0.00 175.35 175.36 1x82 n GLY 104 N 1.73 -1.85 2.81 5.54 0.00 -1.25 -0.99 105.19 111.18 1x82 n GLY 104 Ca -0.17 -1.60 -0.22 0.00 0.00 0.00 0.00 46.02 44.03 1x82 n GLY 104 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x82 s LYS 105 N 0.00 0.70 0.00 1.61 2.20 -1.26 -4.17 119.74 118.82 1x82 s LYS 105 Ca 0.00 0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.64 1x82 s LYS 105 Cb 0.00 -0.94 0.00 0.00 -1.51 0.00 0.00 37.83 35.38 1x82 s LYS 105 CO 0.00 -0.23 0.00 0.41 -0.36 0.00 0.00 175.35 175.17 1x82 n GLY 106 N 4.78 3.24 0.00 5.54 0.00 -1.26 -2.24 105.19 115.25 1x82 n GLY 106 Ca -0.13 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1x82 n GLY 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x82 n GLY 107 N 0.00 -0.80 3.33 -0.02 0.00 -0.62 -4.65 105.19 102.42 1x82 n GLY 107 Ca 0.00 0.22 -0.10 0.00 0.00 0.00 0.00 46.02 46.14 1x82 n GLY 107 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x82 s LEU 109 N 0.00 -0.27 0.14 0.99 1.43 0.23 -1.18 118.68 120.02 1x82 s LEU 109 Ca 0.00 1.00 0.10 0.00 -1.03 0.00 0.00 54.13 54.21 1x82 s LEU 109 Cb 0.00 1.52 -0.04 0.00 0.03 0.00 0.00 46.19 47.70 1x82 s LEU 109 CO 0.00 -0.20 -0.24 -0.76 0.23 0.00 0.00 176.35 175.37 1x82 s LEU 110 N 1.53 2.35 -0.11 1.79 1.02 0.20 -0.97 118.68 124.49 1x82 s LEU 110 Ca -0.09 -0.77 -0.10 0.00 0.02 0.00 0.00 54.13 53.19 1x82 s LEU 110 Cb -0.08 -1.10 0.03 0.00 0.02 0.00 0.00 46.19 45.06 1x82 s LEU 110 CO -0.14 0.12 0.30 -1.58 0.02 0.00 0.00 176.35 175.07 1x82 s GLN 111 N -2.21 0.33 0.66 1.70 0.74 -0.65 -0.80 119.66 119.42 1x82 s GLN 111 Ca 0.14 0.44 -0.07 0.00 0.05 0.00 0.00 55.36 55.91 1x82 s GLN 111 Cb -0.09 0.14 0.03 0.00 1.10 0.00 0.00 33.01 34.19 1x82 s GLN 111 CO 0.06 -0.06 0.99 0.95 -0.55 0.00 0.00 175.29 176.68 1x82 s THR 112 N 0.30 3.05 0.61 -0.34 -4.23 -0.50 -0.43 115.64 114.10 1x82 s THR 112 Ca -0.01 -0.02 0.32 0.00 -1.18 0.00 0.00 61.69 60.79 1x82 s THR 112 Cb -0.03 -3.27 0.37 0.00 1.34 0.00 0.00 72.50 70.91 1x82 s THR 112 CO -0.01 -0.30 2.20 -0.65 -0.54 0.00 0.00 174.62 175.32 1x82 h PRO 113 N -0.44 0.00 0.00 3.99 0.11 -1.92 -0.90 132.00 132.83 1x82 h PRO 113 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1x82 h PRO 113 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1x82 h PRO 113 CO 0.61 0.00 -0.03 0.93 -0.21 0.00 0.00 178.00 179.31 1x82 h GLU 114 N 0.00 0.00 0.00 1.05 5.08 -1.95 -3.48 114.58 115.28 1x82 h GLU 114 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1x82 h GLU 114 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1x82 h GLU 114 CO -0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1x82 n GLY 115 N 1.19 0.73 3.74 -3.84 0.00 -0.34 -5.09 105.19 101.58 1x82 n GLY 115 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1x82 n GLY 115 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x82 s ASP 116 N -1.61 6.98 0.11 1.61 1.11 -1.26 -4.67 116.67 118.93 1x82 s ASP 116 Ca 0.00 2.32 0.10 0.00 0.18 0.00 0.00 52.55 55.15 1x82 s ASP 116 Cb 0.00 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.35 1x82 s ASP 116 CO 0.00 -0.46 -0.24 0.00 1.18 0.00 0.00 175.17 175.64 1x82 s ALA 117 N 0.08 2.12 0.02 5.23 0.00 -1.26 -1.41 121.76 126.54 1x82 s ALA 117 Ca 0.55 -1.35 0.03 0.00 0.00 0.00 0.00 51.96 51.19 1x82 s ALA 117 Cb -0.35 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 1x82 s ALA 117 CO 0.37 0.46 -0.09 0.21 0.00 0.00 0.00 175.76 176.71 1x82 s LYS 118 N -1.92 0.65 -0.09 0.00 2.47 0.02 -4.98 119.74 115.89 1x82 s LYS 118 Ca 0.11 -0.56 0.03 0.00 -1.56 0.00 0.00 55.97 53.99 1x82 s LYS 118 Cb -0.10 -0.57 -0.01 0.00 -1.46 0.00 0.00 37.83 35.69 1x82 s LYS 118 CO 0.05 0.14 -0.19 -0.46 0.16 0.00 0.00 175.35 175.05 1x82 s TRP 119 N -0.75 2.64 -0.17 4.03 -0.11 -1.26 -0.63 118.94 122.68 1x82 s TRP 119 Ca -0.02 -0.69 0.01 0.00 1.22 0.00 0.00 56.10 56.61 1x82 s TRP 119 Cb -0.06 -1.72 0.03 0.00 -1.50 0.00 0.00 33.47 30.22 1x82 s TRP 119 CO 0.00 -0.21 -0.12 0.42 -4.62 0.00 0.00 176.95 172.43 1x82 s ILE 120 N 0.06 1.58 0.02 5.86 -1.09 -1.26 -5.03 121.20 121.33 1x82 s ILE 120 Ca -0.08 -0.81 -0.00 0.00 -2.23 0.00 0.00 60.65 57.53 1x82 s ILE 120 Cb -0.15 -1.58 0.00 0.00 -1.58 0.00 0.00 42.46 39.16 1x82 s ILE 120 CO 0.05 0.30 0.02 -1.20 -1.23 0.00 0.00 174.94 172.88 1x82 n SER 121 N 4.74 -1.09 0.00 3.58 7.64 -1.26 -4.42 113.62 122.80 1x82 n SER 121 Ca -0.16 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.25 1x82 n SER 121 Cb 0.48 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1x82 n SER 121 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1x82 n GLU 123 N -1.59 0.00 -1.64 1.43 0.28 -1.26 -4.91 120.64 112.96 1x82 n GLU 123 Ca 0.00 0.00 -0.48 0.00 -0.16 0.00 0.00 57.16 56.52 1x82 n GLU 123 Cb 0.01 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 32.83 1x82 n GLU 123 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 1x82 n PRO 124 N -0.44 1.75 0.00 3.44 -0.02 -1.26 -1.41 135.00 137.06 1x82 n PRO 124 Ca 0.00 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1x82 n PRO 124 Cb 0.00 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.13 1x82 n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x82 n GLY 125 N 3.06 1.32 3.70 -1.23 0.00 -0.58 -4.98 105.19 106.48 1x82 n GLY 125 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1x82 n GLY 125 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x82 s THR 126 N -2.34 4.24 -0.17 2.61 2.01 -0.50 -4.86 115.64 116.63 1x82 s THR 126 Ca 0.00 1.59 -0.06 0.00 0.31 0.00 0.00 61.69 63.53 1x82 s THR 126 Cb 0.00 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 1x82 s THR 126 CO 0.00 0.07 0.03 -0.69 -0.69 0.00 0.00 174.62 173.34 1x82 s VAL 127 N 1.54 4.52 -0.15 3.82 1.01 -1.26 -1.07 120.40 128.81 1x82 s VAL 127 Ca 0.57 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.40 1x82 s VAL 127 Cb -0.26 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 1x82 s VAL 127 CO 0.26 0.48 -0.10 -0.69 0.00 0.00 0.00 175.10 175.05 1x82 s VAL 128 N 0.29 3.20 -0.38 2.92 1.01 -0.02 -4.96 120.40 122.44 1x82 s VAL 128 Ca 0.02 -0.60 -0.20 0.00 0.00 0.00 0.00 61.98 61.20 1x82 s VAL 128 Cb -0.13 -2.38 0.01 0.00 0.00 0.00 0.00 36.38 33.89 1x82 s VAL 128 CO 0.01 0.50 0.59 -0.47 0.00 0.00 0.00 175.10 175.74 1x82 s TYR 129 N 0.61 3.13 -0.55 5.22 6.14 -1.26 -1.30 117.35 129.34 1x82 s TYR 129 Ca -0.06 0.14 -0.18 0.00 0.64 0.00 0.00 57.07 57.60 1x82 s TYR 129 Cb -0.15 -3.14 0.09 0.00 0.42 0.00 0.00 41.96 39.18 1x82 s TYR 129 CO 0.03 -0.69 0.62 0.08 0.64 0.00 0.00 175.55 176.23 1x82 s VAL 130 N 2.63 4.94 0.80 3.14 1.01 -0.16 -5.01 120.40 127.75 1x82 s VAL 130 Ca 0.22 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 61.13 1x82 s VAL 130 Cb -0.15 -4.37 0.07 0.00 0.00 0.00 0.00 36.38 31.93 1x82 s VAL 130 CO 0.16 -0.94 1.09 -2.84 0.00 0.00 0.00 175.10 172.57 1x82 s PRO 131 N 2.38 2.08 0.26 2.72 0.02 -1.26 -1.40 135.00 139.80 1x82 s PRO 131 Ca 0.10 0.77 -0.29 0.00 0.02 0.00 0.00 61.00 61.60 1x82 s PRO 131 Cb -0.24 -1.91 -0.15 0.00 0.02 0.00 0.00 34.50 32.23 1x82 s PRO 131 CO 0.07 -1.65 1.00 -2.30 -0.33 0.00 0.00 177.00 173.79 1x82 n PRO 132 N -3.48 1.19 -0.27 5.54 -0.02 -1.26 -2.89 135.00 133.81 1x82 n PRO 132 Ca 0.07 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1x82 n PRO 132 Cb 0.55 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 1x82 n PRO 132 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1x82 n TYR 133 N 0.47 0.00 -3.48 6.00 4.01 0.30 -4.95 117.16 119.51 1x82 n TYR 133 Ca 0.11 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.47 1x82 n TYR 133 Cb 0.30 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.27 1x82 n TYR 133 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1x82 s TRP 134 N -3.12 3.74 0.53 -0.72 0.52 -1.14 -4.13 118.94 114.61 1x82 s TRP 134 Ca 0.00 1.02 -0.13 0.00 0.02 0.00 0.00 56.10 57.01 1x82 s TRP 134 Cb 0.00 -2.31 -0.06 0.00 -1.15 0.00 0.00 33.47 29.95 1x82 s TRP 134 CO 0.00 0.64 0.95 0.00 0.02 0.00 0.00 176.95 178.56 1x82 s ALA 135 N -1.07 3.14 -0.10 0.98 0.00 0.43 -4.63 121.76 120.51 1x82 s ALA 135 Ca 0.24 -0.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.07 1x82 s ALA 135 Cb -0.17 -3.01 0.03 0.00 0.00 0.00 0.00 23.12 19.97 1x82 s ALA 135 CO 0.14 -0.36 0.31 -3.38 0.00 0.00 0.00 175.76 172.46 1x82 s HIS 136 N -2.78 -0.31 -0.01 0.00 -3.43 -0.90 -1.64 115.29 106.22 1x82 s HIS 136 Ca 0.56 0.72 0.00 0.00 -0.80 0.00 0.00 55.06 55.54 1x82 s HIS 136 Cb -0.10 0.11 0.01 0.00 -1.43 0.00 0.00 32.58 31.16 1x82 s HIS 136 CO 0.40 -0.20 0.00 0.50 -2.00 0.00 0.00 174.74 173.43 1x82 s ARG 137 N -0.12 0.07 0.09 -0.38 3.52 -0.14 -2.72 118.95 119.27 1x82 s ARG 137 Ca -0.03 0.02 0.02 0.00 -0.13 0.00 0.00 55.73 55.62 1x82 s ARG 137 Cb -0.03 -0.14 -0.04 0.00 -1.56 0.00 0.00 34.95 33.18 1x82 s ARG 137 CO 0.01 -0.03 0.15 0.95 -0.81 0.00 0.00 175.30 175.57 1x82 s THR 138 N 0.30 4.92 -0.02 4.11 -4.23 -1.26 -0.60 115.64 118.86 1x82 s THR 138 Ca -0.03 -0.65 0.02 0.00 -1.18 0.00 0.00 61.69 59.85 1x82 s THR 138 Cb -0.04 -3.41 0.01 0.00 1.34 0.00 0.00 72.50 70.40 1x82 s THR 138 CO -0.01 0.09 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.42 1x82 s VAL 139 N -1.50 0.47 -0.36 2.29 1.01 -0.32 -1.42 120.40 120.57 1x82 s VAL 139 Ca 0.32 -0.19 -0.12 0.00 0.00 0.00 0.00 61.98 61.99 1x82 s VAL 139 Cb -0.12 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 35.82 1x82 s VAL 139 CO 0.25 0.16 0.23 0.21 0.00 0.00 0.00 175.10 175.95 1x82 s ASN 140 N 0.26 5.91 -0.01 3.32 3.84 -0.79 -1.59 114.94 125.88 1x82 s ASN 140 Ca -0.03 -0.67 0.20 0.00 0.21 0.00 0.00 52.86 52.57 1x82 s ASN 140 Cb -0.07 -2.09 0.58 0.00 -0.55 0.00 0.00 41.25 39.11 1x82 s ASN 140 CO -0.00 -0.31 1.48 2.30 -2.79 0.00 0.00 177.10 177.78 1x82 n ILE 141 N 5.07 1.07 -3.84 -5.21 -5.35 -0.95 -4.35 119.36 105.80 1x82 n ILE 141 Ca -0.12 -1.02 0.00 0.00 -0.27 0.00 0.00 62.75 61.34 1x82 n ILE 141 Cb 0.48 0.47 0.00 0.00 -1.74 0.00 0.00 39.64 38.85 1x82 n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1x82 n GLY 142 N 1.35 4.57 0.32 3.28 0.00 -1.21 -4.99 105.19 108.52 1x82 n GLY 142 Ca 0.22 -2.19 0.10 0.00 0.00 0.00 0.00 46.02 44.15 1x82 n GLY 142 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x82 n ASP 143 N -0.93 1.61 -4.45 1.61 8.00 -1.26 -4.58 116.55 116.55 1x82 n ASP 143 Ca 0.00 -1.31 -0.22 0.00 0.71 0.00 0.00 54.79 53.97 1x82 n ASP 143 Cb 0.00 0.64 -0.10 0.00 -0.02 0.00 0.00 41.12 41.64 1x82 n ASP 143 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1x82 s GLU 144 N -2.48 1.62 0.39 -1.24 -1.05 -1.26 -4.81 118.70 109.86 1x82 s GLU 144 Ca 0.14 -1.85 -0.26 0.00 -0.15 0.00 0.00 54.97 52.85 1x82 s GLU 144 Cb 0.16 -1.15 -0.11 0.00 -0.44 0.00 0.00 34.13 32.59 1x82 s GLU 144 CO 0.61 -0.02 1.11 -2.30 0.95 0.00 0.00 175.26 175.61 1x82 n PRO 145 N -0.65 1.60 -3.76 -4.83 -0.02 -1.26 -4.36 135.00 121.72 1x82 n PRO 145 Ca -0.05 0.57 -0.37 0.00 -2.02 0.00 0.00 63.50 61.64 1x82 n PRO 145 Cb 0.64 -2.13 -0.13 0.00 -0.02 0.00 0.00 33.50 31.87 1x82 n PRO 145 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1x82 s PHE 146 N -1.20 3.09 -0.07 6.00 5.36 -0.20 -3.95 117.98 127.01 1x82 s PHE 146 Ca 0.61 -0.58 0.04 0.00 -0.96 0.00 0.00 56.93 56.04 1x82 s PHE 146 Cb -0.57 -2.24 0.00 0.00 -0.34 0.00 0.00 43.02 39.87 1x82 s PHE 146 CO 0.58 -0.42 -0.20 0.42 -1.46 0.00 0.00 175.22 174.14 1x82 s ILE 147 N 1.58 1.75 0.16 3.12 1.01 -0.16 -1.06 121.20 127.60 1x82 s ILE 147 Ca 0.06 -0.86 -0.11 0.00 0.00 0.00 0.00 60.65 59.73 1x82 s ILE 147 Cb -0.15 -1.52 0.00 0.00 0.01 0.00 0.00 42.46 40.80 1x82 s ILE 147 CO 0.03 0.49 0.34 0.72 0.00 0.00 0.00 174.94 176.52 1x82 s PHE 148 N 0.25 0.23 -0.07 3.97 -0.71 -1.00 -0.80 117.98 119.85 1x82 s PHE 148 Ca -0.12 -0.59 0.04 0.00 -1.04 0.00 0.00 56.93 55.22 1x82 s PHE 148 Cb -0.15 0.06 -0.01 0.00 -1.21 0.00 0.00 43.02 41.70 1x82 s PHE 148 CO 0.06 -0.75 -0.21 -1.17 -1.34 0.00 0.00 175.22 171.81 1x82 s LEU 149 N -2.93 2.32 -0.03 -1.99 2.96 -0.39 -1.62 118.68 117.01 1x82 s LEU 149 Ca 0.14 -0.41 0.07 0.00 -0.22 0.00 0.00 54.13 53.70 1x82 s LEU 149 Cb 0.02 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.24 1x82 s LEU 149 CO -0.02 0.25 -0.23 0.00 -1.32 0.00 0.00 176.35 175.03 1x82 s ALA 150 N -0.19 1.94 -0.09 5.97 0.00 0.42 -0.02 121.76 129.79 1x82 s ALA 150 Ca -0.02 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 50.99 1x82 s ALA 150 Cb -0.13 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.46 1x82 s ALA 150 CO 0.03 0.45 -0.21 0.42 0.00 0.00 0.00 175.76 176.45 1x82 s ILE 151 N -0.43 1.81 -0.01 0.00 1.09 0.13 -1.16 121.20 122.63 1x82 s ILE 151 Ca 0.06 -0.87 -0.20 0.00 -1.10 0.00 0.00 60.65 58.53 1x82 s ILE 151 Cb -0.10 -1.58 0.04 0.00 -1.06 0.00 0.00 42.46 39.76 1x82 s ILE 151 CO 0.00 0.50 0.44 -0.72 -0.10 0.00 0.00 174.94 175.07 1x82 s TYR 152 N 0.41 -0.34 0.36 3.97 1.13 -0.66 -1.56 117.35 120.66 1x82 s TYR 152 Ca -0.17 0.50 -0.28 0.00 -1.41 0.00 0.00 57.07 55.71 1x82 s TYR 152 Cb -0.17 0.22 -0.11 0.00 -1.10 0.00 0.00 41.96 40.79 1x82 s TYR 152 CO 0.07 -0.50 1.44 -2.30 -2.51 0.00 0.00 175.55 171.75 1x82 n PRO 153 N 0.96 2.52 0.27 -3.49 -0.02 -1.26 -0.52 135.00 133.46 1x82 n PRO 153 Ca -0.20 0.89 0.18 0.00 -2.02 0.00 0.00 63.50 62.34 1x82 n PRO 153 Cb 0.57 -2.58 0.83 0.00 -0.02 0.00 0.00 33.50 32.30 1x82 n PRO 153 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x82 h ALA 154 N 2.91 1.00 -0.32 3.55 0.00 -1.36 -2.47 119.26 122.57 1x82 h ALA 154 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1x82 h ALA 154 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1x82 h ALA 154 CO 0.64 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.49 1x82 n ASP 155 N -2.88 3.57 -0.04 0.00 5.75 -1.26 -4.31 116.55 117.38 1x82 n ASP 155 Ca -0.01 -2.56 -0.12 0.00 -0.01 0.00 0.00 54.79 52.10 1x82 n ASP 155 Cb 0.19 -0.42 0.01 0.00 -1.03 0.00 0.00 41.12 39.88 1x82 n ASP 155 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1x82 h ALA 156 N 2.06 0.61 -1.36 2.12 0.00 -1.78 -3.41 119.26 117.50 1x82 h ALA 156 Ca 0.00 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.43 1x82 h ALA 156 Cb 1.16 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1x82 h ALA 156 CO 0.14 0.68 -0.02 0.41 0.00 0.00 0.00 179.25 180.45 1x82 n GLY 157 N 0.26 -1.37 2.81 0.00 0.00 -1.26 -0.92 105.19 104.71 1x82 n GLY 157 Ca -0.03 -1.15 -0.14 0.00 0.00 0.00 0.00 46.02 44.70 1x82 n GLY 157 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1x82 s HIS 158 N -0.11 0.02 -0.48 1.61 3.76 -1.26 -3.59 115.29 115.23 1x82 s HIS 158 Ca 0.00 0.08 0.03 0.00 -0.15 0.00 0.00 55.06 55.03 1x82 s HIS 158 Cb 0.00 -0.14 0.13 0.00 1.11 0.00 0.00 32.58 33.67 1x82 s HIS 158 CO 0.00 -0.06 0.23 0.34 -0.85 0.00 0.00 174.74 174.41 1x82 s ASP 159 N 0.66 4.17 0.23 1.40 2.15 0.71 -4.44 116.67 121.55 1x82 s ASP 159 Ca -0.05 -2.80 0.14 0.00 0.43 0.00 0.00 52.55 50.26 1x82 s ASP 159 Cb -0.08 -1.46 0.00 0.00 -0.30 0.00 0.00 42.92 41.09 1x82 s ASP 159 CO -0.02 -0.26 1.35 1.88 -0.17 0.00 0.00 175.17 177.96 1x82 h TYR 160 N 6.69 0.00 -0.75 -5.34 -1.99 -1.84 -2.12 116.97 111.63 1x82 h TYR 160 Ca -0.06 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.66 1x82 h TYR 160 Cb 0.91 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.61 1x82 h TYR 160 CO 0.50 0.58 0.41 0.78 -0.00 0.00 0.00 178.16 180.44 1x82 h GLY 161 N 3.45 1.11 1.00 3.88 0.00 -1.92 -0.48 103.07 110.11 1x82 h GLY 161 Ca -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1x82 h GLY 161 CO 0.07 0.48 0.38 -0.84 0.00 0.00 0.00 176.54 176.63 1x82 h THR 162 N 1.03 1.15 -0.18 4.70 2.02 -1.97 -2.24 112.91 117.41 1x82 h THR 162 Ca 0.26 -0.29 -0.20 0.00 0.77 0.00 0.00 66.41 66.96 1x82 h THR 162 Cb 0.03 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1x82 h THR 162 CO -0.04 0.15 -0.66 0.40 0.37 0.00 0.00 175.52 175.73 1x82 h ILE 163 N 0.79 1.30 -0.53 3.11 1.08 -1.72 -2.35 117.51 119.19 1x82 h ILE 163 Ca 0.21 -1.90 0.10 0.00 -0.39 0.00 0.00 64.86 62.88 1x82 h ILE 163 Cb -0.08 1.87 -0.03 0.00 -3.07 0.00 0.00 36.82 35.50 1x82 h ILE 163 CO -0.05 0.60 0.36 0.00 -0.69 0.00 0.00 178.15 178.38 1x82 h ALA 164 N 0.74 2.14 0.11 1.87 0.00 -0.70 0.68 119.26 124.10 1x82 h ALA 164 Ca -0.02 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.54 1x82 h ALA 164 Cb 1.26 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1x82 h ALA 164 CO 0.13 -0.27 -1.81 1.05 0.00 0.00 0.00 179.25 178.36 1x82 h GLU 165 N 0.26 0.23 0.00 0.00 4.11 -1.36 -3.43 114.58 114.40 1x82 h GLU 165 Ca 0.25 -0.40 -0.11 0.00 0.07 0.00 0.00 59.36 59.17 1x82 h GLU 165 Cb 0.62 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1x82 h GLU 165 CO -0.05 1.19 -2.00 1.63 0.07 0.00 0.00 179.01 179.85 1x82 n LYS 166 N -3.69 0.74 0.00 1.06 5.02 -0.89 -5.00 118.16 115.40 1x82 n LYS 166 Ca -0.31 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 55.86 1x82 n LYS 166 Cb 0.98 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.53 1x82 n LYS 166 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x82 n GLY 167 N 1.56 -1.23 3.94 0.72 0.00 0.22 -4.25 105.19 106.15 1x82 n GLY 167 Ca -0.12 -1.15 -0.25 0.00 0.00 0.00 0.00 46.02 44.49 1x82 n GLY 167 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x82 s PHE 168 N 0.00 3.48 -1.14 1.61 0.40 -1.26 -4.83 117.98 116.24 1x82 s PHE 168 Ca 0.00 0.23 0.29 0.00 -0.60 0.00 0.00 56.93 56.85 1x82 s PHE 168 Cb 0.00 -1.77 1.32 0.00 0.51 0.00 0.00 43.02 43.09 1x82 s PHE 168 CO 0.00 0.38 1.96 -1.13 0.70 0.00 0.00 175.22 177.13 1x82 n SER 169 N -0.98 0.00 -4.20 1.36 3.41 -1.26 -4.70 113.62 107.25 1x82 n SER 169 Ca -0.06 0.29 -0.20 0.00 -0.26 0.00 0.00 58.87 58.64 1x82 n SER 169 Cb 0.55 -0.43 -0.12 0.00 -0.26 0.00 0.00 64.21 63.95 1x82 n SER 169 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1x82 s LYS 170 N -2.86 0.90 0.22 4.33 1.02 -1.26 -1.06 119.74 121.03 1x82 s LYS 170 Ca 0.19 -1.00 0.10 0.00 0.02 0.00 0.00 55.97 55.29 1x82 s LYS 170 Cb 0.19 -0.97 -0.05 0.00 -0.52 0.00 0.00 37.83 36.49 1x82 s LYS 170 CO 0.50 0.22 -0.20 0.96 -0.92 0.00 0.00 175.35 175.91 1x82 s ILE 171 N -1.23 2.20 -0.21 2.17 -4.36 -0.29 -4.74 121.20 114.74 1x82 s ILE 171 Ca 0.00 -2.16 0.02 0.00 -0.26 0.00 0.00 60.65 58.25 1x82 s ILE 171 Cb -0.10 -2.11 0.04 0.00 1.25 0.00 0.00 42.46 41.53 1x82 s ILE 171 CO 0.03 -0.32 -0.16 -0.69 0.24 0.00 0.00 174.94 174.03 1x82 s VAL 172 N -2.22 2.11 0.29 8.37 1.01 -1.26 -1.90 120.40 126.80 1x82 s VAL 172 Ca 0.23 -1.24 0.03 0.00 0.00 0.00 0.00 61.98 61.00 1x82 s VAL 172 Cb -0.05 -2.04 -0.06 0.00 0.00 0.00 0.00 36.38 34.22 1x82 s VAL 172 CO 0.11 0.29 0.06 0.27 0.00 0.00 0.00 175.10 175.83 1x82 s ILE 173 N 1.21 0.96 -0.16 2.22 -4.36 -0.32 -2.37 121.20 118.38 1x82 s ILE 173 Ca -0.01 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.37 1x82 s ILE 173 Cb -0.16 -2.68 -0.00 0.00 1.25 0.00 0.00 42.46 40.87 1x82 s ILE 173 CO -0.10 -0.05 -0.15 -0.70 0.24 0.00 0.00 174.94 174.19 1x82 s GLU 174 N -3.93 3.21 -0.03 0.37 2.12 -0.50 -0.19 118.70 119.75 1x82 s GLU 174 Ca 0.36 -0.75 0.01 0.00 0.36 0.00 0.00 54.97 54.96 1x82 s GLU 174 Cb 0.08 -2.64 0.01 0.00 0.26 0.00 0.00 34.13 31.84 1x82 s GLU 174 CO 0.14 -0.01 -0.06 -1.21 -0.54 0.00 0.00 175.26 173.59 1x82 s GLU 175 N 0.88 0.80 -1.47 4.30 2.02 -0.58 -4.83 118.70 119.82 1x82 s GLU 175 Ca -0.04 -0.16 -0.08 0.00 0.02 0.00 0.00 54.97 54.71 1x82 s GLU 175 Cb -0.15 -0.78 0.03 0.00 0.10 0.00 0.00 34.13 33.32 1x82 s GLU 175 CO -0.01 -0.01 0.81 0.09 0.02 0.00 0.00 175.26 176.16 1x82 n ASN 176 N 3.72 -5.71 -0.25 -0.19 4.13 -1.26 -1.86 115.26 113.85 1x82 n ASN 176 Ca -0.22 -0.44 -0.03 0.00 1.68 0.00 0.00 54.58 55.56 1x82 n ASN 176 Cb 0.52 -4.58 -0.01 0.00 -1.54 0.00 0.00 39.78 34.17 1x82 n ASN 176 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1x82 n GLY 177 N -1.64 0.55 3.19 7.41 0.00 -1.26 -5.01 105.19 108.42 1x82 n GLY 177 Ca -0.04 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 1x82 n GLY 177 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x82 s GLU 178 N -1.55 1.66 0.07 1.61 0.41 -0.78 -5.12 118.70 114.99 1x82 s GLU 178 Ca 0.00 -0.68 -0.30 0.00 -0.41 0.00 0.00 54.97 53.58 1x82 s GLU 178 Cb 0.00 -1.55 -0.05 0.00 -1.78 0.00 0.00 34.13 30.75 1x82 s GLU 178 CO 0.00 0.38 1.05 0.08 -0.49 0.00 0.00 175.26 176.27 1x82 s VAL 179 N -0.33 4.43 -0.00 2.63 1.01 -1.26 -1.53 120.40 125.35 1x82 s VAL 179 Ca 0.04 1.85 0.06 0.00 0.00 0.00 0.00 61.98 63.93 1x82 s VAL 179 Cb -0.09 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 1x82 s VAL 179 CO 0.00 0.20 -0.19 -0.54 0.00 0.00 0.00 175.10 174.58 1x82 s LYS 180 N 0.59 1.45 -0.26 2.72 1.02 0.74 -4.98 119.74 121.02 1x82 s LYS 180 Ca 0.52 -0.72 -0.06 0.00 0.02 0.00 0.00 55.97 55.73 1x82 s LYS 180 Cb -0.25 -1.44 -0.01 0.00 -0.52 0.00 0.00 37.83 35.62 1x82 s LYS 180 CO 0.30 0.39 0.04 0.08 -0.92 0.00 0.00 175.35 175.23 1x82 s VAL 181 N -0.52 3.88 0.09 3.17 1.01 -1.26 -1.18 120.40 125.60 1x82 s VAL 181 Ca 0.07 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1x82 s VAL 181 Cb -0.07 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 1x82 s VAL 181 CO -0.00 0.27 -0.02 0.68 0.00 0.00 0.00 175.10 176.02 1x82 s VAL 182 N 1.53 0.40 0.42 2.92 -7.23 -0.80 -4.99 120.40 112.65 1x82 s VAL 182 Ca 0.05 -1.89 -0.26 0.00 -1.81 0.00 0.00 61.98 58.07 1x82 s VAL 182 Cb -0.16 -1.72 -0.10 0.00 0.56 0.00 0.00 36.38 34.96 1x82 s VAL 182 CO 0.01 -0.81 1.33 0.47 -0.31 0.00 0.00 175.10 175.78 1x82 n ASP 183 N -0.01 2.85 -4.63 4.85 8.00 -1.26 -1.14 116.55 125.20 1x82 n ASP 183 Ca -0.11 1.13 -0.43 0.00 0.71 0.00 0.00 54.79 56.08 1x82 n ASP 183 Cb 0.62 -1.53 -0.02 0.00 -0.02 0.00 0.00 41.12 40.16 1x82 n ASP 183 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1x82 s ASN 184 N -0.47 6.89 0.55 -2.24 3.84 -0.22 -4.59 114.94 118.68 1x82 s ASN 184 Ca 0.60 1.01 0.25 0.00 0.21 0.00 0.00 52.86 54.93 1x82 s ASN 184 Cb -0.49 -2.54 1.55 0.00 -0.55 0.00 0.00 41.25 39.21 1x82 s ASN 184 CO 0.59 -0.93 2.16 1.55 -2.79 0.00 0.00 177.10 177.68 1x82 h PRO 185 N 8.27 0.00 -0.61 0.43 0.13 -1.91 -2.50 132.00 135.80 1x82 h PRO 185 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1x82 h PRO 185 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1x82 h PRO 185 CO 1.04 0.05 0.00 0.54 -0.23 0.00 0.00 178.00 179.41 1x82 n ARG 186 N -3.95 2.95 -2.28 0.86 1.74 -1.26 -4.97 116.66 109.74 1x82 n ARG 186 Ca -0.03 -2.21 -0.43 0.00 -0.77 0.00 0.00 57.85 54.42 1x82 n ARG 186 Cb 0.14 -1.68 -0.02 0.00 -1.02 0.00 0.00 32.46 29.88 1x82 n ARG 186 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 1x82 s TRP 187 N -1.64 2.48 -0.55 -1.55 -0.11 -0.95 -4.96 118.94 111.66 1x82 s TRP 187 Ca 0.40 0.73 -0.22 0.00 1.22 0.00 0.00 56.10 58.23 1x82 s TRP 187 Cb 0.24 -3.80 0.05 0.00 -1.50 0.00 0.00 33.47 28.47 1x82 s TRP 187 CO 0.21 -2.33 0.82 0.15 -4.62 0.00 0.00 176.95 171.19 1x82 s LYS 188 N 4.08 3.21 0.00 5.86 1.02 -1.26 -5.08 119.74 127.57 1x82 s LYS 188 Ca 0.62 -0.61 0.00 0.00 0.02 0.00 0.00 55.97 56.00 1x82 s LYS 188 Cb -0.23 -4.10 0.00 0.00 -0.52 0.00 0.00 37.83 32.98 1x82 s LYS 188 CO 0.23 -1.44 0.00 1.17 -0.92 0.00 0.00 175.35 174.38