#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nu1 n HIS 2 N 0.00 0.00 1.59 0.66 1.44 -1.26 -3.72 115.22 113.93 1nu1 n HIS 2 Ca 0.00 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.85 1nu1 n HIS 2 Cb 0.00 -0.03 0.65 0.00 0.12 0.00 0.00 29.99 30.73 1nu1 n HIS 2 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1nu1 n THR 3 N 0.18 0.00 0.40 0.61 -2.24 -1.26 -2.59 114.28 109.39 1nu1 n THR 3 Ca 0.16 -0.13 0.13 0.00 -2.27 0.00 0.00 64.05 61.93 1nu1 n THR 3 Cb 0.41 0.10 0.37 0.00 -2.10 0.00 0.00 70.33 69.10 1nu1 n THR 3 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1nu1 h ASP 4 N 1.26 0.00 -2.43 3.42 3.45 -2.11 -3.45 116.42 116.55 1nu1 h ASP 4 Ca 0.00 0.00 -0.53 0.00 0.43 0.00 0.00 57.03 56.93 1nu1 h ASP 4 Cb 0.34 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.13 1nu1 h ASP 4 CO 0.00 0.00 1.19 -0.63 -1.57 0.00 0.00 179.24 178.23 1nu1 s ILE 5 N -3.24 3.00 -0.00 0.35 1.01 -1.07 -4.98 121.20 116.26 1nu1 s ILE 5 Ca 0.07 0.12 -0.01 0.00 0.00 0.00 0.00 60.65 60.83 1nu1 s ILE 5 Cb 0.09 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 1nu1 s ILE 5 CO 0.59 -0.01 0.09 -0.54 0.00 0.00 0.00 174.94 175.07 1nu1 s LYS 6 N 4.06 3.09 -0.26 2.79 3.01 -1.26 -5.08 119.74 126.08 1nu1 s LYS 6 Ca 0.85 -0.48 -0.09 0.00 -1.01 0.00 0.00 55.97 55.24 1nu1 s LYS 6 Cb -0.42 -2.87 -0.04 0.00 -1.01 0.00 0.00 37.83 33.49 1nu1 s LYS 6 CO 0.39 0.65 0.13 0.08 0.51 0.00 0.00 175.35 177.11 1nu1 s VAL 7 N -1.20 4.87 0.38 3.17 1.01 -1.26 -5.05 120.40 122.31 1nu1 s VAL 7 Ca 0.23 0.02 -0.20 0.00 0.00 0.00 0.00 61.98 62.02 1nu1 s VAL 7 Cb -0.12 -3.29 -0.15 0.00 0.00 0.00 0.00 36.38 32.82 1nu1 s VAL 7 CO 0.14 0.30 0.10 -2.65 0.00 0.00 0.00 175.10 172.99 1nu1 n PRO 8 N 4.88 0.00 -2.39 2.72 -0.02 -1.26 -4.89 135.00 134.04 1nu1 n PRO 8 Ca -0.15 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.92 1nu1 n PRO 8 Cb 0.52 -0.95 -0.04 0.00 -0.02 0.00 0.00 33.50 33.01 1nu1 n PRO 8 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1nu1 s ASP 9 N -0.95 7.11 0.00 2.55 -1.08 -1.26 -4.95 116.67 118.09 1nu1 s ASP 9 Ca 0.57 2.22 0.07 0.00 -0.52 0.00 0.00 52.55 54.89 1nu1 s ASP 9 Cb -0.62 -2.61 -0.00 0.00 -1.46 0.00 0.00 42.92 38.23 1nu1 s ASP 9 CO 0.60 -0.35 0.53 0.49 0.52 0.00 0.00 175.17 176.97 1nu1 n PHE 10 N 2.43 0.00 -0.35 -5.34 3.01 -1.26 -4.67 117.46 111.28 1nu1 n PHE 10 Ca 0.04 0.00 0.30 0.00 1.01 0.00 0.00 57.45 58.80 1nu1 n PHE 10 Cb 0.45 0.00 0.51 0.00 -0.01 0.00 0.00 39.48 40.43 1nu1 n PHE 10 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1nu1 n SER 11 N -0.31 0.18 0.17 4.37 7.64 -1.26 0.28 113.62 124.68 1nu1 n SER 11 Ca 0.03 1.10 0.11 0.00 1.01 0.00 0.00 58.87 61.12 1nu1 n SER 11 Cb 0.15 -0.54 0.59 0.00 -1.01 0.00 0.00 64.21 63.41 1nu1 n SER 11 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1nu1 h ASP 12 N 0.00 0.00 0.00 6.43 3.58 -2.01 -2.75 116.42 121.67 1nu1 h ASP 12 Ca 0.68 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.13 1nu1 h ASP 12 Cb 2.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.18 1nu1 h ASP 12 CO -0.39 0.00 -0.22 -1.22 -2.88 0.00 0.00 179.24 174.53 1nu1 n TYR 13 N -2.27 0.00 -1.99 0.28 4.01 0.14 -5.08 117.16 112.25 1nu1 n TYR 13 Ca -0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.31 1nu1 n TYR 13 Cb 0.06 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.07 1nu1 n TYR 13 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1nu1 s ARG 14 N -0.71 4.25 0.78 -0.72 0.52 -1.03 -4.99 118.95 117.06 1nu1 s ARG 14 Ca 0.00 2.32 -0.14 0.00 -0.52 0.00 0.00 55.73 57.39 1nu1 s ARG 14 Cb 0.00 -3.11 0.05 0.00 0.52 0.00 0.00 34.95 32.41 1nu1 s ARG 14 CO 0.00 -0.46 1.09 0.54 0.02 0.00 0.00 175.30 176.50 1nu1 n ARG 15 N 2.55 0.33 0.06 3.54 1.74 -1.26 -4.88 116.66 118.74 1nu1 n ARG 15 Ca 0.08 0.18 0.04 0.00 -0.77 0.00 0.00 57.85 57.37 1nu1 n ARG 15 Cb 0.40 -2.35 0.43 0.00 -1.02 0.00 0.00 32.46 29.93 1nu1 n ARG 15 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1nu1 h PRO 16 N -0.63 0.41 0.00 5.56 0.11 -1.97 -1.34 132.00 134.15 1nu1 h PRO 16 Ca -0.47 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 1nu1 h PRO 16 Cb 1.31 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1nu1 h PRO 16 CO 0.46 0.33 -0.13 0.93 -0.21 0.00 0.00 178.00 179.39 1nu1 h GLU 17 N 0.42 0.00 -2.32 1.05 3.07 -1.98 -3.20 114.58 111.61 1nu1 h GLU 17 Ca 0.11 0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 58.32 1nu1 h GLU 17 Cb 0.07 0.00 -0.38 0.00 -0.84 0.00 0.00 28.75 27.59 1nu1 h GLU 17 CO -0.01 0.13 -0.24 0.28 -1.40 0.00 0.00 179.01 177.76 1nu1 n VAL 18 N -3.77 3.48 0.00 3.13 0.31 -0.50 -4.71 118.33 116.26 1nu1 n VAL 18 Ca -0.02 -5.55 0.00 0.00 -0.01 0.00 0.00 64.34 58.76 1nu1 n VAL 18 Cb 0.23 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.40 1nu1 n VAL 18 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1nu1 n LEU 19 N 0.37 0.00 -4.65 7.52 4.77 -1.21 -4.55 117.00 119.25 1nu1 n LEU 19 Ca 0.32 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.93 1nu1 n LEU 19 Cb 0.37 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.37 1nu1 n LEU 19 CO 0.44 0.00 -0.06 -0.62 -1.33 0.00 0.00 177.39 175.81 1nu1 s ASP 20 N -1.56 6.22 0.39 -1.43 3.68 -1.26 -4.92 116.67 117.79 1nu1 s ASP 20 Ca 0.00 0.24 0.14 0.00 2.13 0.00 0.00 52.55 55.06 1nu1 s ASP 20 Cb 0.00 -2.16 0.80 0.00 -1.45 0.00 0.00 42.92 40.12 1nu1 s ASP 20 CO 0.00 -0.02 1.87 0.28 0.13 0.00 0.00 175.17 177.43 1nu1 h SER 21 N 7.62 0.00 -0.48 -0.34 0.02 -2.00 -3.09 113.55 115.28 1nu1 h SER 21 Ca -0.36 0.00 0.14 0.00 -0.84 0.00 0.00 61.79 60.72 1nu1 h SER 21 Cb 1.17 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.69 1nu1 h SER 21 CO 0.66 0.33 0.34 0.74 -1.14 0.00 0.00 176.83 177.76 1nu1 h THR 22 N 0.00 0.76 -3.66 -2.27 2.02 -2.04 -3.45 112.91 104.28 1nu1 h THR 22 Ca -0.00 -0.00 -0.27 0.00 0.77 0.00 0.00 66.41 66.91 1nu1 h THR 22 Cb 0.59 0.76 -0.15 0.00 -1.74 0.00 0.00 68.15 67.60 1nu1 h THR 22 CO 0.04 0.00 -0.71 -0.75 0.37 0.00 0.00 175.52 174.48 1nu1 s LYS 23 N -5.02 0.91 0.68 6.66 2.20 -1.17 -5.13 119.74 118.86 1nu1 s LYS 23 Ca -0.05 -1.35 -0.17 0.00 -0.36 0.00 0.00 55.97 54.05 1nu1 s LYS 23 Cb 0.19 -0.39 -0.06 0.00 -1.51 0.00 0.00 37.83 36.07 1nu1 s LYS 23 CO 0.72 0.03 0.47 0.43 -0.36 0.00 0.00 175.35 176.64 1nu1 n SER 24 N -0.00 -1.37 -0.39 1.43 7.64 -1.26 -4.84 113.62 114.83 1nu1 n SER 24 Ca -0.12 0.62 0.09 0.00 1.01 0.00 0.00 58.87 60.47 1nu1 n SER 24 Cb 0.60 -1.18 -0.01 0.00 -1.01 0.00 0.00 64.21 62.62 1nu1 n SER 24 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1nu1 n SER 25 N 0.14 1.71 -0.17 6.43 7.64 -1.26 -4.33 113.62 123.78 1nu1 n SER 25 Ca 0.10 -1.35 -0.05 0.00 1.01 0.00 0.00 58.87 58.58 1nu1 n SER 25 Cb 0.49 0.50 0.04 0.00 -1.01 0.00 0.00 64.21 64.24 1nu1 n SER 25 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1nu1 h LYS 26 N 1.90 0.52 -0.00 1.43 1.79 -1.99 -2.13 116.57 118.08 1nu1 h LYS 26 Ca 0.00 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1nu1 h LYS 26 Cb 0.61 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1nu1 h LYS 26 CO 0.00 0.35 0.00 0.93 -1.08 0.00 0.00 179.45 179.65 1nu1 h GLU 27 N 0.54 0.01 0.00 3.15 5.08 -1.98 -3.14 114.58 118.23 1nu1 h GLU 27 Ca 0.21 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1nu1 h GLU 27 Cb 0.08 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1nu1 h GLU 27 CO -0.13 0.24 0.00 0.77 -1.00 0.00 0.00 179.01 178.90 1nu1 h SER 28 N -0.23 0.00 0.35 1.42 0.02 -1.79 -3.33 113.55 110.00 1nu1 h SER 28 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1nu1 h SER 28 Cb 0.24 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.76 1nu1 h SER 28 CO 0.00 0.00 -0.30 0.77 -1.14 0.00 0.00 176.83 176.16 1nu1 h SER 29 N 0.00 -0.81 -0.28 3.07 4.64 -1.33 0.74 113.55 119.58 1nu1 h SER 29 Ca 0.00 0.07 0.07 0.00 -0.47 0.00 0.00 61.79 61.45 1nu1 h SER 29 Cb 0.40 0.26 -0.08 0.00 -0.31 0.00 0.00 62.40 62.68 1nu1 h SER 29 CO 0.00 -0.45 -0.31 -0.33 -0.87 0.00 0.00 176.83 174.88 1nu1 h GLU 30 N -0.67 -0.29 0.05 4.77 5.08 -1.75 0.73 114.58 122.50 1nu1 h GLU 30 Ca -0.03 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1nu1 h GLU 30 Cb 0.59 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 1nu1 h GLU 30 CO -0.03 -0.19 -0.03 0.00 -1.00 0.00 0.00 179.01 177.76 1nu1 h ALA 31 N 0.65 -0.07 -0.70 3.43 0.00 -1.77 1.83 119.26 122.62 1nu1 h ALA 31 Ca 0.14 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1nu1 h ALA 31 Cb 0.53 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1nu1 h ALA 31 CO -0.45 -0.54 0.45 0.00 0.00 0.00 0.00 179.25 178.71 1nu1 h ARG 32 N -0.08 0.88 0.03 0.00 3.08 -0.32 0.16 114.38 118.13 1nu1 h ARG 32 Ca -0.00 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1nu1 h ARG 32 Cb 0.06 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.92 1nu1 h ARG 32 CO 0.00 0.58 -0.01 0.87 -1.07 0.00 0.00 179.97 180.34 1nu1 h LYS 33 N 0.90 -0.04 -0.57 0.04 1.57 0.10 -3.00 116.57 115.57 1nu1 h LYS 33 Ca 0.27 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 59.17 1nu1 h LYS 33 Cb -0.04 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.16 1nu1 h LYS 33 CO -0.08 0.31 -0.16 0.78 -0.57 0.00 0.00 179.45 179.72 1nu1 h GLY 34 N -0.40 0.36 0.19 3.86 0.00 0.32 -0.91 103.07 106.50 1nu1 h GLY 34 Ca -0.00 0.22 0.05 0.00 0.00 0.00 0.00 47.33 47.59 1nu1 h GLY 34 CO 0.01 -0.22 -0.29 -2.75 0.00 0.00 0.00 176.54 173.28 1nu1 h PHE 35 N -0.02 -0.79 0.00 5.60 3.04 -0.63 0.60 116.94 124.74 1nu1 h PHE 35 Ca 0.27 0.04 -0.07 0.00 3.98 0.00 0.00 57.97 62.19 1nu1 h PHE 35 Cb 0.44 0.37 -0.01 0.00 2.56 0.00 0.00 35.95 39.31 1nu1 h PHE 35 CO -0.49 -0.37 -0.34 0.77 -2.02 0.00 0.00 178.31 175.86 1nu1 h SER 36 N -0.36 0.00 -0.02 0.41 0.02 -1.32 -1.98 113.55 110.31 1nu1 h SER 36 Ca 0.10 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 1nu1 h SER 36 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1nu1 h SER 36 CO -0.34 0.34 -0.19 1.88 -1.14 0.00 0.00 176.83 177.37 1nu1 h TYR 37 N 0.00 0.22 -0.98 3.45 0.05 -0.63 -2.82 116.97 116.26 1nu1 h TYR 37 Ca -0.00 -0.11 0.18 0.00 0.05 0.00 0.00 58.73 58.85 1nu1 h TYR 37 Cb 0.81 -0.03 -0.09 0.00 1.01 0.00 0.00 36.73 38.43 1nu1 h TYR 37 CO 0.00 0.86 0.61 1.25 -1.05 0.00 0.00 178.16 179.84 1nu1 h LEU 38 N -0.49 0.71 0.21 3.88 5.85 0.33 0.54 115.31 126.34 1nu1 h LEU 38 Ca -0.02 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1nu1 h LEU 38 Cb 0.90 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.88 1nu1 h LEU 38 CO 0.04 0.29 -0.10 0.58 -0.34 0.00 0.00 178.44 178.90 1nu1 h VAL 39 N 0.71 0.80 -0.36 1.05 2.07 -1.34 -1.20 116.25 117.98 1nu1 h VAL 39 Ca 0.54 -0.01 -0.16 0.00 0.82 0.00 0.00 66.70 67.89 1nu1 h VAL 39 Cb 0.90 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1nu1 h VAL 39 CO -0.31 0.00 -0.40 0.71 0.02 0.00 0.00 177.57 177.60 1nu1 h THR 40 N -0.28 1.27 -0.19 2.57 1.35 -0.97 -1.81 112.91 114.86 1nu1 h THR 40 Ca -0.03 -1.58 0.05 0.00 -0.55 0.00 0.00 66.41 64.31 1nu1 h THR 40 Cb 0.22 1.41 -0.07 0.00 -1.73 0.00 0.00 68.15 67.98 1nu1 h THR 40 CO 0.05 0.52 -0.39 0.00 -0.25 0.00 0.00 175.52 175.45 1nu1 h ALA 41 N 0.81 -0.48 -0.52 6.62 0.00 0.24 0.22 119.26 126.15 1nu1 h ALA 41 Ca 0.06 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1nu1 h ALA 41 Cb 0.99 0.75 -0.04 0.00 0.00 0.00 0.00 17.79 19.49 1nu1 h ALA 41 CO 0.10 -0.87 0.27 1.15 0.00 0.00 0.00 179.25 179.90 1nu1 h THR 42 N -0.43 0.98 -0.52 0.00 2.02 -1.24 -1.22 112.91 112.49 1nu1 h THR 42 Ca 0.10 -0.18 0.10 0.00 0.77 0.00 0.00 66.41 67.19 1nu1 h THR 42 Cb 0.60 0.40 -0.08 0.00 -1.74 0.00 0.00 68.15 67.32 1nu1 h THR 42 CO -0.42 0.10 0.04 0.74 0.37 0.00 0.00 175.52 176.35 1nu1 h THR 43 N 0.53 0.63 -0.16 3.16 2.02 -0.28 0.24 112.91 119.06 1nu1 h THR 43 Ca 0.22 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.35 1nu1 h THR 43 Cb 0.11 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 1nu1 h THR 43 CO -0.14 0.03 0.09 0.74 0.37 0.00 0.00 175.52 176.61 1nu1 h THR 44 N 0.16 1.08 -0.53 3.16 2.02 -0.56 0.41 112.91 118.65 1nu1 h THR 44 Ca 0.27 -0.20 0.10 0.00 0.77 0.00 0.00 66.41 67.35 1nu1 h THR 44 Cb 0.40 0.94 -0.11 0.00 -1.74 0.00 0.00 68.15 67.63 1nu1 h THR 44 CO -0.40 0.07 -0.27 0.58 0.37 0.00 0.00 175.52 175.88 1nu1 h VAL 45 N 0.17 0.27 -0.20 3.16 2.07 0.08 1.34 116.25 123.13 1nu1 h VAL 45 Ca 0.06 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.62 1nu1 h VAL 45 Cb 0.04 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.03 1nu1 h VAL 45 CO -0.01 0.00 -0.10 1.23 0.02 0.00 0.00 177.57 178.71 1nu1 h GLY 46 N -0.14 0.07 1.42 2.17 0.00 0.15 -0.50 103.07 106.24 1nu1 h GLY 46 Ca 0.23 0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.69 1nu1 h GLY 46 CO -0.61 -0.12 0.36 -2.08 0.00 0.00 0.00 176.54 174.08 1nu1 h VAL 47 N -0.08 1.16 0.42 4.60 2.07 0.22 -2.83 116.25 121.81 1nu1 h VAL 47 Ca 0.11 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1nu1 h VAL 47 Cb 0.25 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1nu1 h VAL 47 CO -0.26 0.16 -0.33 0.00 0.02 0.00 0.00 177.57 177.16 1nu1 h ALA 48 N 1.61 -1.08 -0.78 1.67 0.00 0.32 0.64 119.26 121.63 1nu1 h ALA 48 Ca 0.21 -0.14 0.17 0.00 0.00 0.00 0.00 54.91 55.15 1nu1 h ALA 48 Cb -0.05 0.51 -0.14 0.00 0.00 0.00 0.00 17.79 18.11 1nu1 h ALA 48 CO -0.04 -1.08 -0.06 -0.92 0.00 0.00 0.00 179.25 177.15 1nu1 h TYR 49 N -0.73 -0.17 -0.13 0.00 3.20 -1.11 0.37 116.97 118.40 1nu1 h TYR 49 Ca -0.06 0.06 -0.11 0.00 3.14 0.00 0.00 58.73 61.77 1nu1 h TYR 49 Cb 0.61 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 1nu1 h TYR 49 CO -0.12 -0.29 -0.41 0.00 -1.64 0.00 0.00 178.16 175.70 1nu1 h ALA 50 N 1.75 1.07 -0.06 1.82 0.00 -1.32 -3.16 119.26 119.37 1nu1 h ALA 50 Ca 0.41 -0.42 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 1nu1 h ALA 50 Cb 0.71 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1nu1 h ALA 50 CO -0.73 0.60 -0.84 0.00 0.00 0.00 0.00 179.25 178.28 1nu1 h ALA 51 N 1.33 0.42 0.64 0.00 0.00 0.21 -2.84 119.26 119.02 1nu1 h ALA 51 Ca 0.02 -0.65 -0.03 0.00 0.00 0.00 0.00 54.91 54.26 1nu1 h ALA 51 Cb 0.83 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1nu1 h ALA 51 CO 0.07 0.76 -0.38 0.87 0.00 0.00 0.00 179.25 180.56 1nu1 h LYS 52 N 0.33 -0.91 -0.36 0.00 1.57 -1.20 -2.01 116.57 113.98 1nu1 h LYS 52 Ca -0.06 0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1nu1 h LYS 52 Cb 1.45 0.21 -0.04 0.00 0.08 0.00 0.00 32.23 33.93 1nu1 h LYS 52 CO 0.15 -0.61 -0.21 0.09 -0.57 0.00 0.00 179.45 178.30 1nu1 n ASN 53 N -4.79 -0.38 -0.22 0.86 5.03 -1.20 0.23 115.26 114.79 1nu1 n ASN 53 Ca -0.12 1.24 0.03 0.00 0.87 0.00 0.00 54.58 56.60 1nu1 n ASN 53 Cb 0.39 -0.38 0.13 0.00 -1.02 0.00 0.00 39.78 38.90 1nu1 n ASN 53 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1nu1 h VAL 54 N 0.00 0.51 0.40 2.41 2.07 -1.52 0.45 116.25 120.57 1nu1 h VAL 54 Ca 0.06 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1nu1 h VAL 54 Cb 0.15 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1nu1 h VAL 54 CO -0.34 0.03 -0.19 0.58 0.02 0.00 0.00 177.57 177.67 1nu1 h VAL 55 N 0.19 0.59 -0.45 2.57 2.07 -0.36 -1.52 116.25 119.35 1nu1 h VAL 55 Ca 0.36 -0.29 0.07 0.00 0.82 0.00 0.00 66.70 67.66 1nu1 h VAL 55 Cb 0.59 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 1nu1 h VAL 55 CO -0.51 0.05 0.09 0.28 0.02 0.00 0.00 177.57 177.50 1nu1 h SER 56 N -0.71 -0.00 -0.73 0.57 0.02 0.37 0.27 113.55 113.33 1nu1 h SER 56 Ca -0.06 0.08 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1nu1 h SER 56 Cb 0.50 0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.12 1nu1 h SER 56 CO 0.09 0.03 0.48 1.56 -1.14 0.00 0.00 176.83 177.85 1nu1 h GLN 57 N 0.22 0.97 0.00 3.45 4.20 -0.12 0.18 115.11 124.01 1nu1 h GLN 57 Ca 0.22 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.81 1nu1 h GLN 57 Cb 0.28 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1nu1 h GLN 57 CO -0.29 0.65 -0.30 0.74 -0.67 0.00 0.00 178.83 178.96 1nu1 h PHE 58 N 1.00 0.00 0.14 2.96 -1.00 -0.14 -2.25 116.94 117.65 1nu1 h PHE 58 Ca 0.27 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.04 1nu1 h PHE 58 Cb -0.11 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.46 1nu1 h PHE 58 CO 0.00 0.30 -0.07 0.28 -1.61 0.00 0.00 178.31 177.21 1nu1 h VAL 59 N 0.00 1.01 0.00 -0.55 2.07 0.77 -3.17 116.25 116.37 1nu1 h VAL 59 Ca -0.00 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 1nu1 h VAL 59 Cb 0.73 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1nu1 h VAL 59 CO 0.04 0.23 -0.03 0.28 0.02 0.00 0.00 177.57 178.11 1nu1 h SER 60 N -0.73 0.00 0.00 0.57 0.02 -1.02 -2.27 113.55 110.12 1nu1 h SER 60 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1nu1 h SER 60 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1nu1 h SER 60 CO 0.03 0.03 0.00 -1.54 -1.14 0.00 0.00 176.83 174.21 1nu1 n SER 61 N -3.34 0.00 -0.03 3.07 3.41 -0.85 -1.70 113.62 114.18 1nu1 n SER 61 Ca -0.02 -0.29 0.03 0.00 -0.26 0.00 0.00 58.87 58.33 1nu1 n SER 61 Cb 0.15 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.14 1nu1 n SER 61 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1nu1 n MET 62 N -0.79 2.26 0.00 4.33 2.81 -0.85 -5.00 117.12 119.87 1nu1 n MET 62 Ca 0.03 -1.78 0.00 0.00 -1.81 0.00 0.00 57.70 54.14 1nu1 n MET 62 Cb 0.01 -1.12 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 1nu1 n MET 62 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1nu1 n SER 63 N -0.76 0.00 -3.60 7.83 7.64 -0.69 -5.12 113.62 118.93 1nu1 n SER 63 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1nu1 n SER 63 Cb 0.39 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 1nu1 n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nu1 n ALA 64 N -1.79 0.00 0.00 -0.43 0.00 -1.26 -5.00 120.51 112.03 1nu1 n ALA 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1nu1 n ALA 64 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1nu1 n ALA 64 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1nu1 n SER 65 N 0.00 0.00 -1.74 0.00 7.64 -1.26 -4.75 113.62 113.50 1nu1 n SER 65 Ca 0.00 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.89 1nu1 n SER 65 Cb 0.00 0.00 0.30 0.00 -1.01 0.00 0.00 64.21 63.50 1nu1 n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nu1 n ALA 66 N -0.64 3.95 -3.63 -0.43 0.00 -1.26 -4.69 120.51 113.81 1nu1 n ALA 66 Ca 0.00 -1.77 -0.27 0.00 0.00 0.00 0.00 53.44 51.40 1nu1 n ALA 66 Cb 0.00 -1.16 -0.11 0.00 0.00 0.00 0.00 19.45 18.18 1nu1 n ALA 66 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nu1 n ASP 67 N 0.25 1.75 0.00 0.00 10.43 -1.26 -4.71 116.55 123.01 1nu1 n ASP 67 Ca 0.29 -2.93 0.00 0.00 2.57 0.00 0.00 54.79 54.72 1nu1 n ASP 67 Cb 1.14 -0.67 0.00 0.00 1.84 0.00 0.00 41.12 43.42 1nu1 n ASP 67 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 1nu1 n VAL 68 N 2.09 0.06 0.00 2.53 0.31 -1.26 -4.90 118.33 117.16 1nu1 n VAL 68 Ca 0.24 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 1nu1 n VAL 68 Cb 0.41 1.51 0.00 0.00 -0.91 0.00 0.00 33.84 34.85 1nu1 n VAL 68 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1nu1 n LEU 69 N -0.03 0.00 -1.74 7.52 4.77 -1.26 -4.79 117.00 121.46 1nu1 n LEU 69 Ca 0.00 0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.87 1nu1 n LEU 69 Cb 0.29 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 1nu1 n LEU 69 CO 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 177.39 175.93 1nu1 n ALA 70 N -0.47 -0.40 -1.03 -1.18 0.00 -1.26 -4.90 120.51 111.26 1nu1 n ALA 70 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1nu1 n ALA 70 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.11 1nu1 n ALA 70 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1nu1 n MET 71 N -2.15 0.00 0.00 0.00 0.00 -1.26 -4.74 117.12 108.98 1nu1 n MET 71 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.57 1nu1 n MET 71 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.69 1nu1 n MET 71 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1nu1 n SER 72 N 0.00 0.00 -4.10 6.12 7.64 -1.26 -4.69 113.62 117.33 1nu1 n SER 72 Ca 0.00 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 1nu1 n SER 72 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1nu1 n SER 72 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1nu1 n LYS 73 N 0.00 -1.98 -1.59 1.43 5.02 -1.26 -4.74 118.16 115.05 1nu1 n LYS 73 Ca 0.00 0.23 -0.51 0.00 -2.02 0.00 0.00 58.31 56.01 1nu1 n LYS 73 Cb 0.00 -4.86 -0.05 0.00 -0.02 0.00 0.00 35.03 30.09 1nu1 n LYS 73 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 1nu1 n ILE 74 N -3.97 0.36 -3.41 -0.18 3.06 -1.19 -4.29 119.36 109.74 1nu1 n ILE 74 Ca 0.08 -0.09 -0.39 0.00 -2.50 0.00 0.00 62.75 59.86 1nu1 n ILE 74 Cb 0.48 -0.84 -0.09 0.00 0.54 0.00 0.00 39.64 39.74 1nu1 n ILE 74 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 1nu1 s GLU 75 N 0.14 4.07 -0.14 9.51 2.02 -1.26 -2.22 118.70 130.82 1nu1 s GLU 75 Ca 0.80 0.08 -0.00 0.00 0.02 0.00 0.00 54.97 55.86 1nu1 s GLU 75 Cb -0.91 -3.61 -0.01 0.00 0.10 0.00 0.00 34.13 29.70 1nu1 s GLU 75 CO 0.49 -0.17 -0.13 0.42 0.02 0.00 0.00 175.26 175.88 1nu1 s ILE 76 N 1.75 2.98 -0.52 -1.63 1.01 -0.84 -4.99 121.20 118.96 1nu1 s ILE 76 Ca 0.16 -0.68 -0.28 0.00 0.00 0.00 0.00 60.65 59.85 1nu1 s ILE 76 Cb -0.15 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 40.06 1nu1 s ILE 76 CO 0.09 0.52 1.56 -0.75 0.00 0.00 0.00 174.94 176.36 1nu1 s LYS 77 N 0.49 3.20 0.46 2.79 2.20 -1.26 -3.08 119.74 124.55 1nu1 s LYS 77 Ca -0.09 0.69 0.23 0.00 -0.36 0.00 0.00 55.97 56.44 1nu1 s LYS 77 Cb -0.16 -4.18 1.23 0.00 -1.51 0.00 0.00 37.83 33.22 1nu1 s LYS 77 CO 0.04 -2.04 1.85 -0.07 -0.36 0.00 0.00 175.35 174.77 1nu1 h LEU 78 N 13.74 0.27 -3.15 5.43 3.38 0.05 -2.43 115.31 132.59 1nu1 h LEU 78 Ca -0.28 0.03 -0.27 0.00 0.09 0.00 0.00 57.88 57.46 1nu1 h LEU 78 Cb 1.12 -0.01 -0.13 0.00 0.09 0.00 0.00 40.66 41.72 1nu1 h LEU 78 CO 1.15 0.09 0.34 -1.54 0.09 0.00 0.00 178.44 178.57 1nu1 n SER 79 N -4.44 4.80 -0.02 -0.43 3.41 -1.26 -3.32 113.62 112.36 1nu1 n SER 79 Ca 0.20 -2.86 0.05 0.00 -0.26 0.00 0.00 58.87 56.00 1nu1 n SER 79 Cb 0.83 -0.85 -0.05 0.00 -0.26 0.00 0.00 64.21 63.88 1nu1 n SER 79 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1nu1 n ASP 80 N 0.08 0.54 -4.06 4.04 8.00 -0.91 -4.87 116.55 119.36 1nu1 n ASP 80 Ca 0.27 -0.77 -0.32 0.00 0.71 0.00 0.00 54.79 54.69 1nu1 n ASP 80 Cb 0.81 0.96 -0.15 0.00 -0.02 0.00 0.00 41.12 42.71 1nu1 n ASP 80 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1nu1 s ILE 81 N -1.89 2.19 1.00 0.53 1.01 -1.21 -5.09 121.20 117.74 1nu1 s ILE 81 Ca 0.04 -1.78 -0.12 0.00 0.00 0.00 0.00 60.65 58.79 1nu1 s ILE 81 Cb 0.08 -2.36 0.19 0.00 0.01 0.00 0.00 42.46 40.38 1nu1 s ILE 81 CO 0.40 -0.14 1.09 -2.16 0.00 0.00 0.00 174.94 174.13 1nu1 s PRO 82 N 1.06 0.40 -0.11 2.79 0.04 -1.26 -4.86 135.00 133.06 1nu1 s PRO 82 Ca -0.05 0.49 -0.32 0.00 0.04 0.00 0.00 61.00 61.17 1nu1 s PRO 82 Cb -0.20 -1.74 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 1nu1 s PRO 82 CO -0.06 -2.75 2.02 0.39 0.04 0.00 0.00 177.00 176.64 1nu1 n GLU 83 N -4.18 2.22 0.00 4.56 1.02 -1.26 -3.18 120.64 119.82 1nu1 n GLU 83 Ca 0.05 0.76 0.00 0.00 -0.02 0.00 0.00 57.16 57.95 1nu1 n GLU 83 Cb 0.57 -2.86 0.00 0.00 -0.02 0.00 0.00 31.44 29.13 1nu1 n GLU 83 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nu1 n GLY 84 N 4.97 1.04 3.24 0.62 0.00 -0.79 -4.91 105.19 109.35 1nu1 n GLY 84 Ca 0.25 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 1nu1 n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nu1 s LYS 85 N -0.43 1.84 -0.64 1.61 2.20 -1.19 -4.98 119.74 118.15 1nu1 s LYS 85 Ca 0.00 -0.78 -0.21 0.00 -0.36 0.00 0.00 55.97 54.62 1nu1 s LYS 85 Cb 0.00 -1.75 0.09 0.00 -1.51 0.00 0.00 37.83 34.66 1nu1 s LYS 85 CO 0.00 0.45 0.86 1.21 -0.36 0.00 0.00 175.35 177.51 1nu1 s ASN 86 N -0.45 6.19 -0.41 1.43 2.47 -1.26 -2.67 114.94 120.24 1nu1 s ASN 86 Ca 0.07 -1.20 -0.20 0.00 0.42 0.00 0.00 52.86 51.95 1nu1 s ASN 86 Cb -0.09 -2.37 0.02 0.00 -1.45 0.00 0.00 41.25 37.36 1nu1 s ASN 86 CO -0.00 -1.30 0.58 -0.32 -3.72 0.00 0.00 177.10 172.34 1nu1 s MET 87 N 3.46 3.37 -0.21 0.43 -2.45 -0.58 -4.95 119.30 118.37 1nu1 s MET 87 Ca 0.18 -0.34 -0.17 0.00 -1.25 0.00 0.00 55.69 54.10 1nu1 s MET 87 Cb -0.20 -3.91 -0.04 0.00 1.25 0.00 0.00 34.83 31.94 1nu1 s MET 87 CO 0.08 -0.88 0.46 0.00 1.05 0.00 0.00 175.02 175.74 1nu1 s ALA 88 N 2.61 3.55 0.30 4.11 0.00 -1.26 -2.42 121.76 128.65 1nu1 s ALA 88 Ca 0.20 -0.49 0.10 0.00 0.00 0.00 0.00 51.96 51.78 1nu1 s ALA 88 Cb -0.15 -2.74 -0.05 0.00 0.00 0.00 0.00 23.12 20.19 1nu1 s ALA 88 CO 0.16 -0.41 -0.05 -0.06 0.00 0.00 0.00 175.76 175.40 1nu1 s PHE 89 N 1.55 2.52 -0.31 0.00 0.40 0.20 -4.91 117.98 117.43 1nu1 s PHE 89 Ca 0.21 -0.34 -0.13 0.00 -0.60 0.00 0.00 56.93 56.07 1nu1 s PHE 89 Cb -0.15 -1.26 -0.03 0.00 0.51 0.00 0.00 43.02 42.09 1nu1 s PHE 89 CO 0.09 0.59 0.26 0.21 0.70 0.00 0.00 175.22 177.07 1nu1 s LYS 90 N -3.64 3.73 -0.07 0.44 2.20 -1.26 0.26 119.74 121.40 1nu1 s LYS 90 Ca 0.32 -0.40 -0.01 0.00 -0.36 0.00 0.00 55.97 55.52 1nu1 s LYS 90 Cb -0.03 -3.74 0.03 0.00 -1.51 0.00 0.00 37.83 32.58 1nu1 s LYS 90 CO 0.18 -0.35 0.01 -0.46 -0.36 0.00 0.00 175.35 174.37 1nu1 s TRP 91 N 1.84 0.60 -1.55 4.03 -0.00 0.11 -4.77 118.94 119.21 1nu1 s TRP 91 Ca 0.09 -0.12 -0.05 0.00 -0.00 0.00 0.00 56.10 56.02 1nu1 s TRP 91 Cb -0.17 -0.76 0.01 0.00 -0.00 0.00 0.00 33.47 32.55 1nu1 s TRP 91 CO 0.11 -0.31 0.60 0.54 -0.00 0.00 0.00 176.95 177.89 1nu1 n ARG 92 N 5.14 -4.84 -0.23 5.86 1.74 -1.26 -0.79 116.66 122.27 1nu1 n ARG 92 Ca -0.07 0.91 0.00 0.00 -0.77 0.00 0.00 57.85 57.92 1nu1 n ARG 92 Cb 0.50 -5.75 0.00 0.00 -1.02 0.00 0.00 32.46 26.19 1nu1 n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nu1 n GLY 93 N -1.52 1.50 3.71 -0.13 0.00 -1.26 -4.96 105.19 102.53 1nu1 n GLY 93 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 1nu1 n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nu1 s LYS 94 N -0.11 4.18 0.15 1.61 -0.14 0.03 -5.05 119.74 120.41 1nu1 s LYS 94 Ca 0.00 -0.14 -0.33 0.00 -1.36 0.00 0.00 55.97 54.14 1nu1 s LYS 94 Cb 0.00 -3.46 -0.13 0.00 -1.68 0.00 0.00 37.83 32.56 1nu1 s LYS 94 CO 0.00 0.21 1.68 -2.30 -0.76 0.00 0.00 175.35 174.17 1nu1 n PRO 95 N 3.78 2.40 -4.56 -1.68 -0.02 -1.26 0.08 135.00 133.74 1nu1 n PRO 95 Ca -0.14 0.87 -0.33 0.00 -2.02 0.00 0.00 63.50 61.87 1nu1 n PRO 95 Cb 0.52 -2.68 -0.14 0.00 -0.02 0.00 0.00 33.50 31.18 1nu1 n PRO 95 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1nu1 s LEU 96 N 1.50 2.73 -0.20 2.45 2.96 0.72 0.83 118.68 129.66 1nu1 s LEU 96 Ca 0.79 -0.35 -0.08 0.00 -0.22 0.00 0.00 54.13 54.27 1nu1 s LEU 96 Cb -0.61 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 1nu1 s LEU 96 CO 0.38 0.12 0.08 -0.36 -1.32 0.00 0.00 176.35 175.25 1nu1 s PHE 97 N 0.62 3.27 -0.13 5.38 0.08 0.13 0.58 117.98 127.91 1nu1 s PHE 97 Ca -0.07 0.09 0.01 0.00 0.12 0.00 0.00 56.93 57.08 1nu1 s PHE 97 Cb -0.15 -2.12 0.02 0.00 -0.57 0.00 0.00 43.02 40.20 1nu1 s PHE 97 CO 0.03 0.13 -0.13 0.08 -0.10 0.00 0.00 175.22 175.23 1nu1 s VAL 98 N 0.53 1.43 -0.09 -0.44 1.01 -1.02 -0.85 120.40 120.97 1nu1 s VAL 98 Ca 0.04 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.49 1nu1 s VAL 98 Cb -0.12 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 34.91 1nu1 s VAL 98 CO 0.01 0.43 -0.17 -0.60 0.00 0.00 0.00 175.10 174.77 1nu1 s ARG 99 N 1.41 2.30 -0.37 2.72 3.52 -0.72 -1.53 118.95 126.27 1nu1 s ARG 99 Ca 0.02 -0.61 -0.21 0.00 -0.13 0.00 0.00 55.73 54.80 1nu1 s ARG 99 Cb -0.13 -1.82 0.01 0.00 -1.56 0.00 0.00 34.95 31.44 1nu1 s ARG 99 CO -0.08 0.07 0.67 -1.58 -0.81 0.00 0.00 175.30 173.57 1nu1 s HIS 100 N 0.60 3.13 -0.06 5.12 5.65 -1.09 -2.71 115.29 125.93 1nu1 s HIS 100 Ca -0.15 0.34 -0.10 0.00 0.25 0.00 0.00 55.06 55.40 1nu1 s HIS 100 Cb -0.16 -3.23 -0.05 0.00 -1.18 0.00 0.00 32.58 27.95 1nu1 s HIS 100 CO 0.05 -0.69 0.27 1.03 -0.65 0.00 0.00 174.74 174.75 1nu1 s ARG 101 N 2.82 3.66 0.64 2.88 0.52 -0.57 -1.89 118.95 127.02 1nu1 s ARG 101 Ca 0.26 0.12 -0.12 0.00 -0.52 0.00 0.00 55.73 55.47 1nu1 s ARG 101 Cb -0.14 -3.20 -0.02 0.00 0.52 0.00 0.00 34.95 32.11 1nu1 s ARG 101 CO 0.16 0.73 1.05 0.95 0.02 0.00 0.00 175.30 178.21 1nu1 s THR 102 N -1.07 4.20 0.23 0.02 -4.23 -1.26 -4.74 115.64 108.79 1nu1 s THR 102 Ca 0.20 0.79 -0.06 0.00 -1.18 0.00 0.00 61.69 61.44 1nu1 s THR 102 Cb -0.14 -3.53 0.21 0.00 1.34 0.00 0.00 72.50 70.38 1nu1 s THR 102 CO 0.09 -0.85 1.70 0.50 -0.54 0.00 0.00 174.62 175.51 1nu1 h LYS 103 N -0.29 0.29 -1.00 3.99 3.64 -1.98 0.54 116.57 121.76 1nu1 h LYS 103 Ca -0.45 -0.02 0.26 0.00 -1.27 0.00 0.00 60.65 59.18 1nu1 h LYS 103 Cb 1.20 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.89 1nu1 h LYS 103 CO 0.58 0.19 0.68 -0.22 -2.27 0.00 0.00 179.45 178.41 1nu1 h LYS 104 N 0.29 0.25 0.00 1.90 3.64 -2.01 -1.99 116.57 118.66 1nu1 h LYS 104 Ca 0.39 -0.02 -0.24 0.00 -1.27 0.00 0.00 60.65 59.52 1nu1 h LYS 104 Cb 0.63 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.35 1nu1 h LYS 104 CO -0.46 0.17 -1.23 0.93 -2.27 0.00 0.00 179.45 176.58 1nu1 h GLU 105 N 0.26 0.00 -0.49 1.90 5.08 -1.25 -2.94 114.58 117.14 1nu1 h GLU 105 Ca 0.53 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.79 1nu1 h GLU 105 Cb 1.59 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.82 1nu1 h GLU 105 CO -0.16 0.84 -0.08 0.82 -1.00 0.00 0.00 179.01 179.42 1nu1 h ILE 106 N 0.00 1.26 -0.28 3.13 2.04 -1.10 -2.02 117.51 120.54 1nu1 h ILE 106 Ca -0.10 -1.17 -0.12 0.00 1.00 0.00 0.00 64.86 64.47 1nu1 h ILE 106 Cb 1.85 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 1nu1 h ILE 106 CO 0.11 0.41 -0.33 0.44 0.00 0.00 0.00 178.15 178.79 1nu1 h ASP 107 N 0.80 0.62 0.52 1.72 3.32 -1.58 -2.71 116.42 119.10 1nu1 h ASP 107 Ca 0.14 -0.25 -0.14 0.00 0.02 0.00 0.00 57.03 56.80 1nu1 h ASP 107 Cb 0.59 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1nu1 h ASP 107 CO 0.04 0.90 -0.63 -0.61 -1.72 0.00 0.00 179.24 177.22 1nu1 h GLN 108 N 0.51 0.11 0.11 3.56 4.15 -1.30 -2.78 115.11 119.46 1nu1 h GLN 108 Ca 0.06 -0.08 -0.28 0.00 0.77 0.00 0.00 58.65 59.12 1nu1 h GLN 108 Cb 0.81 0.01 0.02 0.00 0.21 0.00 0.00 27.48 28.53 1nu1 h GLN 108 CO 0.07 0.70 -1.19 0.93 -1.93 0.00 0.00 178.83 177.40 1nu1 h GLU 109 N 0.08 0.44 0.00 1.69 4.39 -1.33 -3.28 114.58 116.57 1nu1 h GLU 109 Ca -0.01 -0.62 -0.03 0.00 0.34 0.00 0.00 59.36 59.04 1nu1 h GLU 109 Cb 1.13 0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.99 1nu1 h GLU 109 CO 0.09 1.26 -0.17 0.00 -1.16 0.00 0.00 179.01 179.03 1nu1 h ALA 110 N 0.49 0.93 -0.13 3.43 0.00 -1.53 -3.23 119.26 119.21 1nu1 h ALA 110 Ca -0.15 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1nu1 h ALA 110 Cb 1.88 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1nu1 h ALA 110 CO 0.21 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.67 1nu1 n ALA 111 N -2.15 2.53 -2.03 0.00 0.00 -1.05 -4.94 120.51 112.87 1nu1 n ALA 111 Ca 0.02 -0.53 -0.41 0.00 0.00 0.00 0.00 53.44 52.52 1nu1 n ALA 111 Cb 0.52 -1.09 -0.05 0.00 0.00 0.00 0.00 19.45 18.84 1nu1 n ALA 111 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nu1 s VAL 112 N -1.85 4.05 -0.79 0.00 1.01 -1.22 -4.93 120.40 116.68 1nu1 s VAL 112 Ca 0.34 1.83 -0.31 0.00 0.00 0.00 0.00 61.98 63.84 1nu1 s VAL 112 Cb 0.19 -4.17 -0.17 0.00 0.00 0.00 0.00 36.38 32.23 1nu1 s VAL 112 CO 0.29 0.34 2.55 -0.62 0.00 0.00 0.00 175.10 177.66 1nu1 n GLU 113 N 2.20 0.34 0.13 2.72 -0.58 -1.26 -4.88 120.64 119.31 1nu1 n GLU 113 Ca 0.01 0.02 -0.15 0.00 -0.42 0.00 0.00 57.16 56.63 1nu1 n GLU 113 Cb 0.47 -2.05 -0.09 0.00 -0.57 0.00 0.00 31.44 29.21 1nu1 n GLU 113 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1nu1 h VAL 114 N 7.78 0.00 0.00 2.62 2.07 -1.95 -3.00 116.25 123.77 1nu1 h VAL 114 Ca -0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1nu1 h VAL 114 Cb 1.31 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1nu1 h VAL 114 CO 1.28 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 177.33 1nu1 n SER 115 N -5.10 0.00 -0.01 0.57 3.41 -1.26 -3.26 113.62 107.97 1nu1 n SER 115 Ca -0.08 -0.69 0.14 0.00 -0.26 0.00 0.00 58.87 57.98 1nu1 n SER 115 Cb 0.37 -0.08 0.53 0.00 -0.26 0.00 0.00 64.21 64.78 1nu1 n SER 115 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nu1 n GLN 116 N -1.08 0.05 -2.05 4.33 1.13 -1.13 -4.92 117.38 113.71 1nu1 n GLN 116 Ca 0.19 -0.01 -0.33 0.00 -1.94 0.00 0.00 57.00 54.91 1nu1 n GLN 116 Cb 0.13 -1.50 0.01 0.00 0.11 0.00 0.00 30.24 29.00 1nu1 n GLN 116 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1nu1 s LEU 117 N -2.96 3.54 0.11 1.08 1.43 -1.20 -4.99 118.68 115.69 1nu1 s LEU 117 Ca 0.14 1.92 -0.11 0.00 -1.03 0.00 0.00 54.13 55.06 1nu1 s LEU 117 Cb 0.19 -4.55 -0.13 0.00 0.03 0.00 0.00 46.19 41.73 1nu1 s LEU 117 CO 0.57 -1.26 1.31 -0.09 0.23 0.00 0.00 176.35 177.11 1nu1 h ARG 118 N 0.54 0.72 -4.38 1.70 2.43 -1.92 -3.37 114.38 110.10 1nu1 h ARG 118 Ca -0.47 -0.61 -0.65 0.00 -0.81 0.00 0.00 59.98 57.43 1nu1 h ARG 118 Cb 1.23 0.13 -0.40 0.00 -0.42 0.00 0.00 29.97 30.51 1nu1 h ARG 118 CO 0.57 1.22 -0.70 0.34 -1.51 0.00 0.00 179.97 179.88 1nu1 s ASP 119 N -7.11 4.65 -0.41 -3.80 2.15 -1.26 -5.06 116.67 105.83 1nu1 s ASP 119 Ca -0.09 -2.34 -0.27 0.00 0.43 0.00 0.00 52.55 50.28 1nu1 s ASP 119 Cb 0.09 -1.62 -0.06 0.00 -0.30 0.00 0.00 42.92 41.04 1nu1 s ASP 119 CO 0.90 -0.35 2.27 -2.16 -0.17 0.00 0.00 175.17 175.66 1nu1 s PRO 120 N 0.65 2.50 -0.13 4.34 0.04 -1.26 -4.91 135.00 136.23 1nu1 s PRO 120 Ca 0.12 1.52 -0.05 0.00 0.04 0.00 0.00 61.00 62.63 1nu1 s PRO 120 Cb -0.21 -4.49 0.06 0.00 0.04 0.00 0.00 34.50 29.91 1nu1 s PRO 120 CO -0.07 -2.82 0.26 -0.65 0.04 0.00 0.00 177.00 173.76 1nu1 s GLN 121 N 7.47 0.15 0.11 4.56 -0.21 -1.26 -5.11 119.66 125.38 1nu1 s GLN 121 Ca 0.95 0.74 -0.31 0.00 0.02 0.00 0.00 55.36 56.77 1nu1 s GLN 121 Cb -0.21 -0.03 -0.07 0.00 1.00 0.00 0.00 33.01 33.69 1nu1 s GLN 121 CO 0.29 -0.28 1.24 -1.58 -2.12 0.00 0.00 175.29 172.84 1nu1 s HIS 122 N 2.36 3.39 0.62 0.91 5.65 -1.26 -4.88 115.29 122.08 1nu1 s HIS 122 Ca 0.01 1.26 0.22 0.00 0.25 0.00 0.00 55.06 56.80 1nu1 s HIS 122 Cb -0.12 -3.49 0.96 0.00 -1.18 0.00 0.00 32.58 28.76 1nu1 s HIS 122 CO -0.09 -1.52 1.46 0.22 -0.65 0.00 0.00 174.74 174.17 1nu1 h ASP 123 N 6.33 0.00 1.44 9.88 3.58 -1.94 0.54 116.42 136.24 1nu1 h ASP 123 Ca -0.43 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.02 1nu1 h ASP 123 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 1nu1 h ASP 123 CO 0.80 0.00 0.00 0.18 -2.88 0.00 0.00 179.24 177.34 1nu1 n LEU 124 N -3.17 0.84 -1.47 2.28 4.77 -1.26 -2.77 117.00 116.22 1nu1 n LEU 124 Ca 0.12 0.59 0.09 0.00 -0.03 0.00 0.00 56.01 56.78 1nu1 n LEU 124 Cb 1.09 -0.33 0.34 0.00 -2.33 0.00 0.00 43.42 42.18 1nu1 n LEU 124 CO 0.19 -0.22 0.80 -1.84 -1.33 0.00 0.00 177.39 174.98 1nu1 n GLU 125 N -2.29 3.60 0.00 3.23 0.28 0.18 -4.03 120.64 121.60 1nu1 n GLU 125 Ca 0.05 -2.83 0.03 0.00 -0.16 0.00 0.00 57.16 54.25 1nu1 n GLU 125 Cb 0.42 -1.83 -0.02 0.00 1.43 0.00 0.00 31.44 31.44 1nu1 n GLU 125 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1nu1 n ARG 126 N 1.01 3.65 -3.96 3.44 1.74 -1.11 -5.03 116.66 116.40 1nu1 n ARG 126 Ca 0.25 -0.25 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 1nu1 n ARG 126 Cb 0.85 -0.87 -0.08 0.00 -1.02 0.00 0.00 32.46 31.34 1nu1 n ARG 126 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1nu1 s VAL 127 N -1.25 0.14 -0.16 1.55 -7.23 -1.23 -4.70 120.40 107.51 1nu1 s VAL 127 Ca 0.04 -1.44 -0.00 0.00 -1.81 0.00 0.00 61.98 58.76 1nu1 s VAL 127 Cb 0.05 -1.58 -0.10 0.00 0.56 0.00 0.00 36.38 35.31 1nu1 s VAL 127 CO 0.19 -0.61 -0.15 0.29 -0.31 0.00 0.00 175.10 174.50 1nu1 n LYS 128 N -0.07 0.40 -3.70 4.82 5.02 -1.26 -4.86 118.16 118.51 1nu1 n LYS 128 Ca -0.12 0.10 -0.38 0.00 -2.02 0.00 0.00 58.31 55.89 1nu1 n LYS 128 Cb 0.62 -1.29 -0.11 0.00 -0.02 0.00 0.00 35.03 34.23 1nu1 n LYS 128 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1nu1 s LYS 129 N -2.32 2.38 0.62 1.97 1.02 -1.26 -4.99 119.74 117.16 1nu1 s LYS 129 Ca -0.22 -1.57 0.17 0.00 0.02 0.00 0.00 55.97 54.37 1nu1 s LYS 129 Cb 0.06 -3.65 0.59 0.00 -0.52 0.00 0.00 37.83 34.32 1nu1 s LYS 129 CO 0.36 -0.96 1.18 -2.30 -0.92 0.00 0.00 175.35 172.71 1nu1 n PRO 130 N 4.77 0.02 0.00 -1.68 -0.02 -1.26 0.20 135.00 137.04 1nu1 n PRO 130 Ca -0.08 0.99 0.14 0.00 -2.02 0.00 0.00 63.50 62.52 1nu1 n PRO 130 Cb 0.42 -2.52 0.54 0.00 -0.02 0.00 0.00 33.50 31.92 1nu1 n PRO 130 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1nu1 n GLU 131 N -2.97 0.45 -3.79 -0.52 0.00 -1.26 -4.79 120.64 107.76 1nu1 n GLU 131 Ca 0.15 -0.16 -0.24 0.00 0.00 0.00 0.00 57.16 56.91 1nu1 n GLU 131 Cb 1.34 -1.50 -0.17 0.00 0.00 0.00 0.00 31.44 31.11 1nu1 n GLU 131 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1nu1 s TRP 132 N -2.66 0.86 -0.21 -1.84 0.52 0.55 -1.51 118.94 114.65 1nu1 s TRP 132 Ca 0.23 -0.35 -0.03 0.00 0.02 0.00 0.00 56.10 55.97 1nu1 s TRP 132 Cb 0.19 -0.91 -0.00 0.00 -1.15 0.00 0.00 33.47 31.60 1nu1 s TRP 132 CO 0.52 -0.39 -0.08 0.54 0.02 0.00 0.00 176.95 177.56 1nu1 s VAL 133 N 1.91 3.11 -0.31 4.03 0.11 -1.10 -4.38 120.40 123.78 1nu1 s VAL 133 Ca 0.04 -0.58 -0.09 0.00 -2.93 0.00 0.00 61.98 58.42 1nu1 s VAL 133 Cb -0.13 -2.39 0.00 0.00 -1.53 0.00 0.00 36.38 32.33 1nu1 s VAL 133 CO -0.06 0.45 0.13 -0.63 -3.33 0.00 0.00 175.10 171.66 1nu1 s ILE 134 N 1.37 4.39 0.15 7.04 1.01 -1.26 -1.76 121.20 132.14 1nu1 s ILE 134 Ca 0.05 -0.54 0.07 0.00 0.00 0.00 0.00 60.65 60.23 1nu1 s ILE 134 Cb -0.14 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 1nu1 s ILE 134 CO -0.05 0.05 -0.14 -0.76 0.00 0.00 0.00 174.94 174.04 1nu1 s LEU 135 N 1.57 2.47 -0.19 2.97 1.43 -0.03 -4.14 118.68 122.75 1nu1 s LEU 135 Ca 0.04 -0.90 -0.23 0.00 -1.03 0.00 0.00 54.13 52.01 1nu1 s LEU 135 Cb -0.17 -0.61 -0.02 0.00 0.03 0.00 0.00 46.19 45.42 1nu1 s LEU 135 CO 0.05 -0.15 0.72 -0.63 0.23 0.00 0.00 176.35 176.57 1nu1 s ILE 136 N -2.49 4.95 0.00 -0.59 1.01 -0.31 0.21 121.20 123.98 1nu1 s ILE 136 Ca 0.15 1.39 0.00 0.00 0.00 0.00 0.00 60.65 62.18 1nu1 s ILE 136 Cb -0.03 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.41 1nu1 s ILE 136 CO 0.04 0.06 0.61 0.61 0.00 0.00 0.00 174.94 176.27 1nu1 n GLY 137 N 3.67 1.10 3.01 6.18 0.00 0.24 -4.47 105.19 114.92 1nu1 n GLY 137 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1nu1 n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nu1 s VAL 138 N 1.28 1.71 0.41 1.61 1.01 -1.26 -4.22 120.40 120.95 1nu1 s VAL 138 Ca 0.00 -1.03 -0.25 0.00 0.00 0.00 0.00 61.98 60.70 1nu1 s VAL 138 Cb 0.00 -1.76 -0.08 0.00 0.00 0.00 0.00 36.38 34.54 1nu1 s VAL 138 CO 0.00 0.20 1.21 0.00 0.00 0.00 0.00 175.10 176.52 1nu1 n THR 140 N -0.00 0.00 0.00 0.00 -2.24 -1.26 -3.05 114.28 107.73 1nu1 n THR 140 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1nu1 n THR 140 Cb 0.46 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 1nu1 n THR 140 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1nu1 n HIS 141 N -0.88 0.00 -1.58 4.78 -0.00 -1.26 -4.25 115.22 112.03 1nu1 n HIS 141 Ca 0.15 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.63 1nu1 n HIS 141 Cb 0.07 0.00 0.09 0.00 -0.00 0.00 0.00 29.99 30.15 1nu1 n HIS 141 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1nu1 n LEU 142 N 0.00 5.95 -1.60 0.27 4.77 -1.26 -4.93 117.00 120.20 1nu1 n LEU 142 Ca 0.00 -4.28 -0.18 0.00 -0.03 0.00 0.00 56.01 51.52 1nu1 n LEU 142 Cb 0.00 -0.68 -0.05 0.00 -2.33 0.00 0.00 43.42 40.36 1nu1 n LEU 142 CO 0.00 1.61 -0.19 0.61 -1.33 0.00 0.00 177.39 178.09 1nu1 n GLY 143 N -0.92 0.93 3.93 -0.72 0.00 -1.17 -5.02 105.19 102.21 1nu1 n GLY 143 Ca 0.50 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 1nu1 n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nu1 s VAL 145 N -3.77 3.02 0.23 0.00 1.01 -1.26 1.00 120.40 120.63 1nu1 s VAL 145 Ca 0.71 -1.42 -0.30 0.00 0.00 0.00 0.00 61.98 60.96 1nu1 s VAL 145 Cb -0.06 -2.76 -0.10 0.00 0.00 0.00 0.00 36.38 33.47 1nu1 s VAL 145 CO 0.51 -0.14 1.49 -2.84 0.00 0.00 0.00 175.10 174.12 1nu1 s PRO 146 N 1.25 4.24 0.11 2.72 0.02 -1.26 -4.74 135.00 137.34 1nu1 s PRO 146 Ca -0.04 2.34 -0.30 0.00 0.02 0.00 0.00 61.00 63.01 1nu1 s PRO 146 Cb -0.20 -3.11 -0.07 0.00 0.02 0.00 0.00 34.50 31.14 1nu1 s PRO 146 CO -0.01 -0.49 1.21 0.42 -0.33 0.00 0.00 177.00 177.80 1nu1 s ILE 147 N 0.29 3.80 0.15 2.83 1.01 -0.26 -4.79 121.20 124.23 1nu1 s ILE 147 Ca 0.62 1.37 -0.31 0.00 0.00 0.00 0.00 60.65 62.34 1nu1 s ILE 147 Cb -0.43 -3.88 -0.08 0.00 0.01 0.00 0.00 42.46 38.08 1nu1 s ILE 147 CO 0.41 0.15 1.33 0.00 0.00 0.00 0.00 174.94 176.83 1nu1 s ALA 148 N 0.62 3.54 -0.97 9.38 0.00 -1.26 -2.61 121.76 130.45 1nu1 s ALA 148 Ca 0.57 1.08 -0.06 0.00 0.00 0.00 0.00 51.96 53.55 1nu1 s ALA 148 Cb -0.31 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.26 1nu1 s ALA 148 CO 0.32 -0.55 0.85 0.09 0.00 0.00 0.00 175.76 176.47 1nu1 n ASN 149 N 3.31 -6.81 -3.79 0.00 3.02 -0.49 -5.01 115.26 105.49 1nu1 n ASN 149 Ca 0.09 -0.58 -0.13 0.00 -0.03 0.00 0.00 54.58 53.93 1nu1 n ASN 149 Cb 0.43 -5.03 -0.10 0.00 -0.61 0.00 0.00 39.78 34.47 1nu1 n ASN 149 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nu1 s ALA 150 N -3.29 -0.63 0.00 5.41 0.00 -1.24 -4.96 121.76 117.04 1nu1 s ALA 150 Ca 0.34 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.73 1nu1 s ALA 150 Cb -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.90 1nu1 s ALA 150 CO 0.76 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.74 1nu1 n GLY 151 N 2.09 0.76 0.29 0.00 0.00 -1.26 -3.35 105.19 103.72 1nu1 n GLY 151 Ca -0.18 -2.23 0.19 0.00 0.00 0.00 0.00 46.02 43.79 1nu1 n GLY 151 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1nu1 h ASP 152 N 0.00 0.00 -0.16 1.61 5.19 -1.90 -3.23 116.42 117.92 1nu1 h ASP 152 Ca 0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1nu1 h ASP 152 Cb 0.00 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 1nu1 h ASP 152 CO 0.00 0.00 -0.00 0.49 -3.12 0.00 0.00 179.24 176.61 1nu1 n PHE 153 N -3.09 0.59 -4.54 4.55 3.01 -1.26 -4.99 117.46 111.73 1nu1 n PHE 153 Ca -0.00 -0.94 -0.43 0.00 1.01 0.00 0.00 57.45 57.09 1nu1 n PHE 153 Cb 0.26 -0.26 -0.08 0.00 -0.01 0.00 0.00 39.48 39.39 1nu1 n PHE 153 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1nu1 n GLY 154 N -0.88 -0.40 0.00 1.37 0.00 -1.22 -4.17 105.19 99.89 1nu1 n GLY 154 Ca 0.20 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1nu1 n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nu1 n GLY 155 N -1.07 0.41 3.13 -0.02 0.00 -1.23 -4.62 105.19 101.77 1nu1 n GLY 155 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 1nu1 n GLY 155 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nu1 s TYR 156 N 0.00 0.72 -0.21 1.61 1.51 -0.87 -1.40 117.35 118.71 1nu1 s TYR 156 Ca 0.00 -1.16 -0.05 0.00 -1.01 0.00 0.00 57.07 54.86 1nu1 s TYR 156 Cb 0.00 -0.45 0.11 0.00 -0.11 0.00 0.00 41.96 41.51 1nu1 s TYR 156 CO 0.00 -0.45 0.38 -0.47 -1.11 0.00 0.00 175.55 173.90 1nu1 s TYR 157 N -3.98 -0.77 -0.25 2.71 5.04 -1.07 0.70 117.35 119.73 1nu1 s TYR 157 Ca 0.17 1.12 -0.29 0.00 -2.44 0.00 0.00 57.07 55.63 1nu1 s TYR 157 Cb 0.08 0.13 0.01 0.00 0.35 0.00 0.00 41.96 42.52 1nu1 s TYR 157 CO -0.03 -0.59 1.06 0.00 -1.34 0.00 0.00 175.55 174.65 1nu1 n PRO 159 N 6.47 0.19 0.08 0.00 -0.04 -1.26 -2.17 135.00 138.26 1nu1 n PRO 159 Ca 0.12 0.40 -0.15 0.00 -0.04 0.00 0.00 63.50 63.83 1nu1 n PRO 159 Cb 0.46 -1.84 -0.08 0.00 -0.04 0.00 0.00 33.50 31.99 1nu1 n PRO 159 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nu1 n HIS 161 N -5.47 0.00 -2.72 0.00 8.25 -1.24 -5.03 115.22 109.01 1nu1 n HIS 161 Ca -0.07 -0.45 -0.08 0.00 -0.26 0.00 0.00 57.72 56.86 1nu1 n HIS 161 Cb 0.39 -0.01 0.04 0.00 1.12 0.00 0.00 29.99 31.53 1nu1 n HIS 161 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nu1 n GLY 162 N 0.35 0.18 3.61 -1.41 0.00 -0.92 -4.53 105.19 102.46 1nu1 n GLY 162 Ca -0.01 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 1nu1 n GLY 162 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nu1 s SER 163 N -3.43 6.39 -0.37 1.61 0.01 -1.14 -4.08 113.70 112.69 1nu1 s SER 163 Ca 0.08 0.41 -0.16 0.00 1.31 0.00 0.00 55.95 57.59 1nu1 s SER 163 Cb -0.04 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.92 1nu1 s SER 163 CO 0.31 -0.31 0.39 -1.00 0.41 0.00 0.00 173.24 173.04 1nu1 s HIS 164 N 2.30 3.20 0.21 2.43 0.09 0.11 -0.75 115.29 122.87 1nu1 s HIS 164 Ca 0.20 -0.15 0.05 0.00 -0.00 0.00 0.00 55.06 55.16 1nu1 s HIS 164 Cb -0.16 -2.76 -0.03 0.00 -0.00 0.00 0.00 32.58 29.63 1nu1 s HIS 164 CO 0.10 -0.53 0.28 0.71 -0.00 0.00 0.00 174.74 175.30 1nu1 s TYR 165 N 2.07 3.37 0.00 1.40 1.51 0.22 -2.73 117.35 123.18 1nu1 s TYR 165 Ca 0.12 0.00 0.00 0.00 -1.01 0.00 0.00 57.07 56.18 1nu1 s TYR 165 Cb -0.17 -1.56 0.00 0.00 -0.11 0.00 0.00 41.96 40.12 1nu1 s TYR 165 CO 0.12 0.48 0.00 -0.40 -1.11 0.00 0.00 175.55 174.65 1nu1 n ASP 166 N -1.00 0.00 0.00 2.29 5.68 -1.12 -2.05 116.55 120.35 1nu1 n ASP 166 Ca -0.08 -0.70 0.13 0.00 -0.50 0.00 0.00 54.79 53.63 1nu1 n ASP 166 Cb 0.56 0.00 0.59 0.00 -1.14 0.00 0.00 41.12 41.13 1nu1 n ASP 166 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1nu1 n ALA 167 N -3.00 2.24 0.82 2.12 0.00 -1.26 -2.92 120.51 118.51 1nu1 n ALA 167 Ca 0.00 -0.10 0.09 0.00 0.00 0.00 0.00 53.44 53.43 1nu1 n ALA 167 Cb 0.00 -1.43 -0.05 0.00 0.00 0.00 0.00 19.45 17.97 1nu1 n ALA 167 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nu1 n SER 168 N -1.44 1.32 0.00 0.00 3.41 -1.26 -4.90 113.62 110.74 1nu1 n SER 168 Ca 0.08 -1.16 0.00 0.00 -0.26 0.00 0.00 58.87 57.53 1nu1 n SER 168 Cb 0.28 0.73 0.00 0.00 -0.26 0.00 0.00 64.21 64.96 1nu1 n SER 168 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nu1 n GLY 169 N 1.33 0.71 3.78 5.00 0.00 -1.15 -4.89 105.19 109.97 1nu1 n GLY 169 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1nu1 n GLY 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nu1 s ARG 170 N -0.84 2.08 -0.21 1.61 0.52 -1.26 -0.86 118.95 119.98 1nu1 s ARG 170 Ca 0.00 0.81 -0.10 0.00 -0.52 0.00 0.00 55.73 55.92 1nu1 s ARG 170 Cb 0.00 -1.90 -0.05 0.00 0.52 0.00 0.00 34.95 33.52 1nu1 s ARG 170 CO 0.00 -1.67 0.14 -1.50 0.02 0.00 0.00 175.30 172.29 1nu1 s ILE 171 N -3.05 5.34 0.00 1.52 1.10 -1.26 -2.77 121.20 122.07 1nu1 s ILE 171 Ca 0.61 0.17 0.00 0.00 -0.51 0.00 0.00 60.65 60.92 1nu1 s ILE 171 Cb -0.15 -3.45 0.00 0.00 0.15 0.00 0.00 42.46 39.00 1nu1 s ILE 171 CO 0.55 0.41 0.00 0.54 -2.11 0.00 0.00 174.94 174.33 1nu1 n ARG 172 N 3.81 2.38 -3.71 3.50 5.12 -1.11 -4.27 116.66 122.39 1nu1 n ARG 172 Ca -0.16 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.64 1nu1 n ARG 172 Cb 0.52 -0.94 -0.09 0.00 -1.16 0.00 0.00 32.46 30.78 1nu1 n ARG 172 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1nu1 s LYS 173 N -1.84 0.54 0.00 5.56 2.20 -1.13 -5.01 119.74 120.06 1nu1 s LYS 173 Ca 0.00 0.70 0.00 0.00 -0.36 0.00 0.00 55.97 56.31 1nu1 s LYS 173 Cb 0.00 0.23 0.00 0.00 -1.51 0.00 0.00 37.83 36.55 1nu1 s LYS 173 CO 0.00 -0.08 0.00 0.41 -0.36 0.00 0.00 175.35 175.32 1nu1 n GLY 174 N 3.07 0.82 0.27 5.54 0.00 -1.26 0.06 105.19 113.69 1nu1 n GLY 174 Ca -0.15 -2.17 0.04 0.00 0.00 0.00 0.00 46.02 43.74 1nu1 n GLY 174 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nu1 h PRO 175 N 0.00 0.33 -6.24 1.61 0.13 -1.79 -3.46 132.00 122.58 1nu1 h PRO 175 Ca 0.00 -0.04 -0.69 0.00 -0.87 0.00 0.00 66.00 64.40 1nu1 h PRO 175 Cb 0.00 -0.06 0.03 0.00 0.13 0.00 0.00 31.00 31.10 1nu1 h PRO 175 CO 0.00 0.32 0.78 0.00 -0.23 0.00 0.00 178.00 178.86 1nu1 n ALA 176 N -2.49 -0.16 0.13 -0.56 0.00 -1.26 -4.94 120.51 111.22 1nu1 n ALA 176 Ca 0.00 0.42 -0.22 0.00 0.00 0.00 0.00 53.44 53.64 1nu1 n ALA 176 Cb 0.16 -2.23 -0.15 0.00 0.00 0.00 0.00 19.45 17.24 1nu1 n ALA 176 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1nu1 h PRO 177 N 6.52 0.51 -5.50 0.00 0.11 -1.89 -3.48 132.00 128.27 1nu1 h PRO 177 Ca -0.47 -0.81 -0.65 0.00 0.11 0.00 0.00 66.00 64.19 1nu1 h PRO 177 Cb 1.31 0.29 -0.13 0.00 0.11 0.00 0.00 31.00 32.59 1nu1 h PRO 177 CO 0.89 1.38 -0.56 -0.51 -0.21 0.00 0.00 178.00 178.99 1nu1 s LEU 178 N -7.57 2.66 0.08 2.35 1.43 -1.26 -4.65 118.68 111.72 1nu1 s LEU 178 Ca -0.08 -1.47 -0.28 0.00 -1.03 0.00 0.00 54.13 51.28 1nu1 s LEU 178 Cb 0.05 -0.86 -0.06 0.00 0.03 0.00 0.00 46.19 45.35 1nu1 s LEU 178 CO 0.93 -0.62 0.87 0.20 0.23 0.00 0.00 176.35 177.96 1nu1 s ASN 179 N -3.79 7.36 0.20 2.29 0.01 -1.26 -4.48 114.94 115.28 1nu1 s ASN 179 Ca 0.24 1.63 -0.24 0.00 -0.71 0.00 0.00 52.86 53.78 1nu1 s ASN 179 Cb 0.06 -2.53 -0.15 0.00 0.41 0.00 0.00 41.25 39.04 1nu1 s ASN 179 CO 0.12 -0.02 0.41 0.18 -1.51 0.00 0.00 177.10 176.28 1nu1 n LEU 180 N 2.77 -1.30 -4.72 0.60 4.77 -0.04 -4.79 117.00 114.28 1nu1 n LEU 180 Ca -0.00 0.96 -0.42 0.00 -0.03 0.00 0.00 56.01 56.53 1nu1 n LEU 180 Cb 0.50 -0.84 -0.03 0.00 -2.33 0.00 0.00 43.42 40.72 1nu1 n LEU 180 CO 0.49 -2.80 0.88 -0.70 -1.33 0.00 0.00 177.39 173.94 1nu1 s GLU 181 N -0.89 4.46 -0.41 3.23 2.12 -1.26 -4.85 118.70 121.11 1nu1 s GLU 181 Ca 0.56 1.82 -0.20 0.00 0.36 0.00 0.00 54.97 57.51 1nu1 s GLU 181 Cb -0.79 -3.30 0.01 0.00 0.26 0.00 0.00 34.13 30.32 1nu1 s GLU 181 CO 0.51 -0.17 0.62 0.08 -0.54 0.00 0.00 175.26 175.75 1nu1 s VAL 182 N 0.55 4.88 1.11 3.70 1.01 -1.26 -1.17 120.40 129.22 1nu1 s VAL 182 Ca 0.56 0.24 -0.17 0.00 0.00 0.00 0.00 61.98 62.61 1nu1 s VAL 182 Cb -0.31 -4.14 0.25 0.00 0.00 0.00 0.00 36.38 32.18 1nu1 s VAL 182 CO 0.32 -0.47 1.14 -2.16 0.00 0.00 0.00 175.10 173.93 1nu1 s PRO 183 N 2.71 -0.49 -0.43 2.72 0.04 -1.26 -4.97 135.00 133.32 1nu1 s PRO 183 Ca 0.22 0.00 -0.28 0.00 0.04 0.00 0.00 61.00 60.99 1nu1 s PRO 183 Cb -0.14 -1.68 0.02 0.00 0.04 0.00 0.00 34.50 32.74 1nu1 s PRO 183 CO 0.17 -3.24 1.04 0.45 0.04 0.00 0.00 177.00 175.46 1nu1 s SER 184 N -3.98 6.65 0.12 6.66 0.15 -1.26 -4.95 113.70 117.09 1nu1 s SER 184 Ca 0.70 0.49 -0.06 0.00 0.70 0.00 0.00 55.95 57.78 1nu1 s SER 184 Cb -0.11 -2.51 -0.02 0.00 -1.71 0.00 0.00 66.02 61.67 1nu1 s SER 184 CO 0.56 -1.08 0.16 -0.72 1.20 0.00 0.00 173.24 173.35 1nu1 s TYR 185 N 4.00 0.50 0.07 3.44 -0.85 -1.26 0.16 117.35 123.40 1nu1 s TYR 185 Ca 0.43 -0.90 -0.16 0.00 -0.52 0.00 0.00 57.07 55.92 1nu1 s TYR 185 Cb -0.09 -0.22 0.03 0.00 0.38 0.00 0.00 41.96 42.06 1nu1 s TYR 185 CO 0.26 -0.58 0.38 -1.83 -1.52 0.00 0.00 175.55 172.26 1nu1 s GLU 186 N -3.96 0.93 -0.48 -3.49 -1.05 -0.88 -5.00 118.70 104.77 1nu1 s GLU 186 Ca 0.15 -0.50 -0.14 0.00 -0.15 0.00 0.00 54.97 54.33 1nu1 s GLU 186 Cb 0.05 0.41 0.09 0.00 -0.44 0.00 0.00 34.13 34.25 1nu1 s GLU 186 CO -0.03 -0.33 0.40 -0.06 0.95 0.00 0.00 175.26 176.19 1nu1 s PHE 187 N -2.88 3.28 -0.46 4.83 0.08 -1.26 -1.42 117.98 120.15 1nu1 s PHE 187 Ca -0.03 -1.21 0.25 0.00 0.12 0.00 0.00 56.93 56.06 1nu1 s PHE 187 Cb 0.00 -3.36 0.55 0.00 -0.57 0.00 0.00 43.02 39.65 1nu1 s PHE 187 CO -0.05 -0.89 1.68 1.79 -0.10 0.00 0.00 175.22 177.65 1nu1 h THR 188 N 5.88 0.00 -0.47 0.64 1.35 -1.92 -3.49 112.91 114.90 1nu1 h THR 188 Ca -0.27 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 64.77 1nu1 h THR 188 Cb 1.10 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 1nu1 h THR 188 CO 0.91 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.64 1nu1 n SER 189 N -2.88 0.00 0.09 5.36 3.41 -1.23 -4.99 113.62 113.38 1nu1 n SER 189 Ca 0.04 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.47 1nu1 n SER 189 Cb 0.48 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.32 1nu1 n SER 189 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1nu1 h ASP 190 N 0.00 0.65 0.00 4.04 2.03 -2.04 -3.37 116.42 117.73 1nu1 h ASP 190 Ca 0.00 -0.61 0.00 0.00 -0.73 0.00 0.00 57.03 55.69 1nu1 h ASP 190 Cb 0.00 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 38.29 1nu1 h ASP 190 CO 0.00 1.44 0.00 -0.90 -1.03 0.00 0.00 179.24 178.75 1nu1 n ASP 191 N -3.70 1.38 -4.55 4.15 5.75 -1.26 -4.91 116.55 113.41 1nu1 n ASP 191 Ca -0.10 -1.38 -0.34 0.00 -0.01 0.00 0.00 54.79 52.96 1nu1 n ASP 191 Cb 0.96 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.93 1nu1 n ASP 191 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1nu1 s MET 192 N -0.38 2.69 -0.10 0.11 -1.94 -1.26 0.81 119.30 119.22 1nu1 s MET 192 Ca 0.00 -0.59 -0.04 0.00 -1.71 0.00 0.00 55.69 53.35 1nu1 s MET 192 Cb 0.00 -2.54 0.05 0.00 2.01 0.00 0.00 34.83 34.36 1nu1 s MET 192 CO 0.00 0.65 0.21 0.54 -0.01 0.00 0.00 175.02 176.41 1nu1 s VAL 193 N -0.78 -0.28 -0.25 -6.03 0.11 -1.18 -2.90 120.40 109.08 1nu1 s VAL 193 Ca 0.12 0.29 -0.07 0.00 -2.93 0.00 0.00 61.98 59.39 1nu1 s VAL 193 Cb -0.11 -0.36 -0.02 0.00 -1.53 0.00 0.00 36.38 34.36 1nu1 s VAL 193 CO 0.01 0.12 0.06 -0.63 -3.33 0.00 0.00 175.10 171.33 1nu1 s ILE 194 N 2.13 4.13 -0.17 7.04 1.01 -0.51 -1.98 121.20 132.86 1nu1 s ILE 194 Ca -0.00 -0.30 -0.14 0.00 0.00 0.00 0.00 60.65 60.21 1nu1 s ILE 194 Cb -0.12 -2.96 -0.05 0.00 0.01 0.00 0.00 42.46 39.35 1nu1 s ILE 194 CO -0.07 0.31 0.29 -0.69 0.00 0.00 0.00 174.94 174.78 1nu1 s VAL 195 N 1.58 5.30 0.00 2.92 1.01 -0.94 -2.06 120.40 128.21 1nu1 s VAL 195 Ca 0.06 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.58 1nu1 s VAL 195 Cb -0.15 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1nu1 s VAL 195 CO 0.02 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.12