#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqv h HIS 2 N 0.00 0.00 0.00 0.66 2.07 -2.09 -0.78 115.15 115.02 1sqv h HIS 2 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1sqv h HIS 2 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1sqv h HIS 2 CO 0.00 0.00 0.00 0.25 -3.07 0.00 0.00 177.93 175.11 1sqv n THR 3 N -2.68 0.68 0.17 6.12 -2.24 -1.26 -2.73 114.28 112.34 1sqv n THR 3 Ca -0.02 0.17 0.06 0.00 -2.27 0.00 0.00 64.05 61.99 1sqv n THR 3 Cb 0.07 -0.90 0.19 0.00 -2.10 0.00 0.00 70.33 67.58 1sqv n THR 3 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1sqv h ASP 4 N 0.00 0.00 -2.29 3.42 3.32 -1.68 -3.44 116.42 115.74 1sqv h ASP 4 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 1sqv h ASP 4 Cb 0.20 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.76 1sqv h ASP 4 CO 0.00 0.37 1.30 -0.63 -1.72 0.00 0.00 179.24 178.56 1sqv s ILE 5 N -3.23 3.08 -0.02 0.35 1.01 -1.11 -5.01 121.20 116.28 1sqv s ILE 5 Ca 0.03 0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.76 1sqv s ILE 5 Cb 0.08 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.44 1sqv s ILE 5 CO 0.70 -0.02 0.11 -0.54 0.00 0.00 0.00 174.94 175.19 1sqv s LYS 6 N 5.03 3.20 0.05 2.79 1.02 -1.26 -5.10 119.74 125.47 1sqv s LYS 6 Ca 0.90 -0.40 -0.30 0.00 0.02 0.00 0.00 55.97 56.19 1sqv s LYS 6 Cb -0.38 -2.96 -0.09 0.00 -0.52 0.00 0.00 37.83 33.89 1sqv s LYS 6 CO 0.38 0.67 1.84 0.08 -0.92 0.00 0.00 175.35 177.41 1sqv s VAL 7 N -1.20 2.99 0.43 3.17 1.01 -1.26 -4.99 120.40 120.55 1sqv s VAL 7 Ca 0.23 0.20 -0.20 0.00 0.00 0.00 0.00 61.98 62.21 1sqv s VAL 7 Cb -0.12 -3.13 -0.15 0.00 0.00 0.00 0.00 36.38 32.98 1sqv s VAL 7 CO 0.14 -0.01 0.07 -2.65 0.00 0.00 0.00 175.10 172.64 1sqv n PRO 8 N 6.77 0.04 -2.45 2.72 -0.01 -1.26 -4.94 135.00 135.86 1sqv n PRO 8 Ca 0.18 0.01 -0.39 0.00 -0.01 0.00 0.00 63.50 63.30 1sqv n PRO 8 Cb 0.41 -1.04 -0.04 0.00 -0.01 0.00 0.00 33.50 32.82 1sqv n PRO 8 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 175.50 175.83 1sqv s ASP 9 N -1.00 6.91 0.00 2.55 2.15 -1.26 -4.95 116.67 121.07 1sqv s ASP 9 Ca 0.59 2.21 0.00 0.00 0.43 0.00 0.00 52.55 55.79 1sqv s ASP 9 Cb -0.60 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.41 1sqv s ASP 9 CO 0.63 -0.39 0.15 0.49 -0.17 0.00 0.00 175.17 175.88 1sqv n PHE 10 N 0.49 0.00 0.11 -5.34 3.72 -1.26 -4.77 117.46 110.41 1sqv n PHE 10 Ca 0.02 0.00 0.19 0.00 -0.05 0.00 0.00 57.45 57.62 1sqv n PHE 10 Cb 0.47 0.00 0.76 0.00 -0.94 0.00 0.00 39.48 39.77 1sqv n PHE 10 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1sqv h SER 11 N 0.00 0.00 0.83 4.37 0.02 -1.93 0.16 113.55 117.00 1sqv h SER 11 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1sqv h SER 11 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1sqv h SER 11 CO 0.00 0.00 0.00 -0.78 -1.14 0.00 0.00 176.83 174.91 1sqv h ASP 12 N 0.00 0.00 0.00 3.07 3.58 -2.00 -2.90 116.42 118.17 1sqv h ASP 12 Ca 0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1sqv h ASP 12 Cb 0.91 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.96 1sqv h ASP 12 CO -0.00 0.00 -0.92 -1.22 -2.88 0.00 0.00 179.24 174.22 1sqv n TYR 13 N -2.43 0.00 -1.76 0.28 4.02 0.49 -5.06 117.16 112.71 1sqv n TYR 13 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.49 1sqv n TYR 13 Cb 0.26 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.55 1sqv n TYR 13 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1sqv s ARG 14 N -1.85 4.14 0.44 -0.72 0.52 -0.74 -5.01 118.95 115.72 1sqv s ARG 14 Ca 0.00 2.57 -0.21 0.00 -0.52 0.00 0.00 55.73 57.58 1sqv s ARG 14 Cb 0.00 -3.14 -0.14 0.00 0.52 0.00 0.00 34.95 32.19 1sqv s ARG 14 CO 0.00 -0.74 0.22 0.54 0.02 0.00 0.00 175.30 175.34 1sqv n ARG 15 N 4.16 0.20 0.25 3.54 1.74 -1.26 -4.93 116.66 120.36 1sqv n ARG 15 Ca 0.16 0.08 0.08 0.00 -0.77 0.00 0.00 57.85 57.40 1sqv n ARG 15 Cb 0.36 -1.20 0.61 0.00 -1.02 0.00 0.00 32.46 31.21 1sqv n ARG 15 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1sqv h PRO 16 N 0.39 0.00 0.00 5.56 0.11 -1.97 -2.56 132.00 133.53 1sqv h PRO 16 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1sqv h PRO 16 Cb 1.43 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.54 1sqv h PRO 16 CO 0.47 0.12 -0.61 0.39 -0.21 0.00 0.00 178.00 178.16 1sqv n GLU 17 N -4.19 0.28 -3.23 1.05 4.71 -1.26 -4.09 120.64 113.92 1sqv n GLU 17 Ca -0.03 0.09 -0.37 0.00 -0.01 0.00 0.00 57.16 56.84 1sqv n GLU 17 Cb 0.20 -1.68 -0.03 0.00 -1.01 0.00 0.00 31.44 28.92 1sqv n GLU 17 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1sqv n VAL 18 N -2.09 4.09 0.00 2.62 0.31 -0.97 -4.66 118.33 117.63 1sqv n VAL 18 Ca 0.03 -5.60 0.00 0.00 -0.01 0.00 0.00 64.34 58.77 1sqv n VAL 18 Cb 0.44 -2.14 0.00 0.00 -0.91 0.00 0.00 33.84 31.23 1sqv n VAL 18 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1sqv n LEU 19 N 1.33 0.01 -4.61 7.52 4.77 -1.26 -4.57 117.00 120.19 1sqv n LEU 19 Ca 0.27 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.82 1sqv n LEU 19 Cb 0.36 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 1sqv n LEU 19 CO 0.57 -0.03 1.54 -0.62 -1.33 0.00 0.00 177.39 177.51 1sqv s ASP 20 N -3.15 6.02 0.57 -1.43 -1.08 -1.26 -4.88 116.67 111.46 1sqv s ASP 20 Ca 0.00 1.59 0.27 0.00 -0.52 0.00 0.00 52.55 53.89 1sqv s ASP 20 Cb 0.00 -2.53 1.57 0.00 -1.46 0.00 0.00 42.92 40.50 1sqv s ASP 20 CO 0.00 -1.56 2.09 0.28 0.52 0.00 0.00 175.17 176.50 1sqv h SER 21 N 12.38 0.00 1.34 -0.34 0.02 -1.99 -2.56 113.55 122.41 1sqv h SER 21 Ca -0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1sqv h SER 21 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1sqv h SER 21 CO 1.00 0.00 -0.63 0.71 -1.14 0.00 0.00 176.83 176.77 1sqv h THR 22 N 0.00 0.00 -3.39 -2.27 1.35 -2.03 -3.46 112.91 103.11 1sqv h THR 22 Ca 0.11 -0.97 -0.60 0.00 -0.55 0.00 0.00 66.41 64.39 1sqv h THR 22 Cb 0.54 1.65 -0.10 0.00 -1.73 0.00 0.00 68.15 68.51 1sqv h THR 22 CO -0.00 0.00 0.34 -0.75 -0.25 0.00 0.00 175.52 174.86 1sqv s LYS 23 N -3.30 4.10 0.18 4.72 2.47 -0.97 -5.03 119.74 121.91 1sqv s LYS 23 Ca 0.02 0.71 -0.29 0.00 -1.56 0.00 0.00 55.97 54.85 1sqv s LYS 23 Cb 0.08 -3.67 -0.17 0.00 -1.46 0.00 0.00 37.83 32.61 1sqv s LYS 23 CO 0.74 -0.52 0.59 0.45 0.16 0.00 0.00 175.35 176.77 1sqv n SER 24 N 5.94 -1.07 -0.01 1.43 2.88 -1.26 -4.85 113.62 116.68 1sqv n SER 24 Ca 0.03 1.13 0.12 0.00 -1.33 0.00 0.00 58.87 58.82 1sqv n SER 24 Cb 0.48 -0.95 0.24 0.00 -0.75 0.00 0.00 64.21 63.23 1sqv n SER 24 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1sqv n SER 25 N 1.94 0.54 -0.11 -3.46 7.64 -1.26 -4.18 113.62 114.72 1sqv n SER 25 Ca 0.18 -0.30 0.00 0.00 1.01 0.00 0.00 58.87 59.76 1sqv n SER 25 Cb 0.23 0.27 0.29 0.00 -1.01 0.00 0.00 64.21 63.99 1sqv n SER 25 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1sqv h LYS 26 N 0.04 0.77 0.32 1.43 1.79 -1.99 -1.70 116.57 117.23 1sqv h LYS 26 Ca 0.00 -0.09 -0.02 0.00 -2.18 0.00 0.00 60.65 58.37 1sqv h LYS 26 Cb 0.50 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1sqv h LYS 26 CO 0.00 0.59 -0.15 1.05 -1.08 0.00 0.00 179.45 179.85 1sqv h GLU 27 N 0.77 -0.41 0.00 3.15 9.09 -1.99 -3.18 114.58 122.01 1sqv h GLU 27 Ca 0.19 0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.63 1sqv h GLU 27 Cb 0.07 0.09 0.00 0.00 -1.65 0.00 0.00 28.75 27.26 1sqv h GLU 27 CO -0.03 -0.20 0.00 0.66 0.05 0.00 0.00 179.01 179.49 1sqv h SER 28 N -0.54 0.00 -0.67 3.06 4.64 -1.78 -3.30 113.55 114.97 1sqv h SER 28 Ca -0.04 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.36 1sqv h SER 28 Cb 0.40 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.42 1sqv h SER 28 CO 0.07 0.00 0.33 -1.28 -0.87 0.00 0.00 176.83 175.08 1sqv h SER 29 N 0.00 0.44 -0.08 4.97 0.87 -1.29 -0.72 113.55 117.74 1sqv h SER 29 Ca 0.00 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 1sqv h SER 29 Cb 0.49 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1sqv h SER 29 CO 0.00 0.27 -0.04 -0.33 -0.53 0.00 0.00 176.83 176.20 1sqv h GLU 30 N 0.58 0.17 -0.89 2.24 5.08 -1.73 -2.08 114.58 117.96 1sqv h GLU 30 Ca 0.32 -0.08 0.07 0.00 -1.00 0.00 0.00 59.36 58.68 1sqv h GLU 30 Cb 0.30 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 1sqv h GLU 30 CO -0.24 0.53 0.58 0.00 -1.00 0.00 0.00 179.01 178.88 1sqv h ALA 31 N 0.64 1.55 0.13 3.43 0.00 -1.70 0.29 119.26 123.59 1sqv h ALA 31 Ca 0.02 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 1sqv h ALA 31 Cb 0.48 -0.25 0.03 0.00 0.00 0.00 0.00 17.79 18.05 1sqv h ALA 31 CO 0.01 0.30 -1.23 0.00 0.00 0.00 0.00 179.25 178.33 1sqv h ARG 32 N 0.98 0.61 -0.42 0.00 3.08 -0.90 -0.63 114.38 117.11 1sqv h ARG 32 Ca 0.39 -0.83 -0.11 0.00 0.07 0.00 0.00 59.98 59.50 1sqv h ARG 32 Cb 0.25 0.28 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 1sqv h ARG 32 CO -0.15 1.38 -0.18 0.87 -1.07 0.00 0.00 179.97 180.82 1sqv h LYS 33 N 0.25 0.80 0.07 0.04 1.57 -1.33 -2.86 116.57 115.11 1sqv h LYS 33 Ca -0.19 -0.30 0.02 0.00 -1.87 0.00 0.00 60.65 58.30 1sqv h LYS 33 Cb 1.91 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 34.15 1sqv h LYS 33 CO 0.24 0.92 -0.18 0.78 -0.57 0.00 0.00 179.45 180.64 1sqv h GLY 34 N 0.96 -0.29 0.71 3.86 0.00 -0.22 -0.92 103.07 107.18 1sqv h GLY 34 Ca 0.11 0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.64 1sqv h GLY 34 CO 0.05 -0.17 -0.28 -2.75 0.00 0.00 0.00 176.54 173.39 1sqv h PHE 35 N -0.33 -0.74 -0.16 5.60 3.57 -1.17 -1.31 116.94 122.39 1sqv h PHE 35 Ca 0.03 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.40 1sqv h PHE 35 Cb 0.36 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 1sqv h PHE 35 CO -0.19 -0.41 -0.46 0.77 -2.23 0.00 0.00 178.31 175.79 1sqv h SER 36 N -0.60 0.44 0.29 0.41 0.02 -1.43 -0.30 113.55 112.38 1sqv h SER 36 Ca -0.02 -0.21 -0.15 0.00 -0.84 0.00 0.00 61.79 60.57 1sqv h SER 36 Cb 0.55 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1sqv h SER 36 CO -0.04 0.84 -0.60 1.88 -1.14 0.00 0.00 176.83 177.76 1sqv h TYR 37 N 0.33 0.40 -0.06 3.45 0.05 -1.22 -2.27 116.97 117.65 1sqv h TYR 37 Ca 0.02 -0.15 -0.06 0.00 0.05 0.00 0.00 58.73 58.59 1sqv h TYR 37 Cb 0.94 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.60 1sqv h TYR 37 CO 0.03 0.84 -0.22 1.25 -1.05 0.00 0.00 178.16 179.00 1sqv h LEU 38 N 0.23 0.10 -0.42 3.88 5.85 -0.77 0.41 115.31 124.59 1sqv h LEU 38 Ca -0.01 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 1sqv h LEU 38 Cb 1.12 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 1sqv h LEU 38 CO 0.10 0.33 0.02 0.58 -0.34 0.00 0.00 178.44 179.13 1sqv h VAL 39 N 0.09 1.26 0.00 1.05 2.07 -0.88 -2.34 116.25 117.49 1sqv h VAL 39 Ca 0.02 -0.98 -0.15 0.00 0.82 0.00 0.00 66.70 66.40 1sqv h VAL 39 Cb 0.45 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1sqv h VAL 39 CO 0.03 0.34 -0.71 0.71 0.02 0.00 0.00 177.57 177.96 1sqv h THR 40 N 0.58 1.47 -0.10 2.57 1.35 -1.15 -2.94 112.91 114.69 1sqv h THR 40 Ca 0.12 -2.47 -0.01 0.00 -0.55 0.00 0.00 66.41 63.50 1sqv h THR 40 Cb 0.45 2.35 -0.00 0.00 -1.73 0.00 0.00 68.15 69.22 1sqv h THR 40 CO 0.02 0.70 0.03 0.00 -0.25 0.00 0.00 175.52 176.02 1sqv h ALA 41 N 1.29 0.13 -0.40 6.62 0.00 -0.12 -2.61 119.26 124.17 1sqv h ALA 41 Ca -0.01 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1sqv h ALA 41 Cb 1.29 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1sqv h ALA 41 CO 0.09 -0.27 -0.05 1.15 0.00 0.00 0.00 179.25 180.17 1sqv h THR 42 N -0.02 1.23 0.24 0.00 2.02 -1.49 -0.33 112.91 114.56 1sqv h THR 42 Ca 0.03 -0.99 -0.01 0.00 0.77 0.00 0.00 66.41 66.21 1sqv h THR 42 Cb 0.20 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1sqv h THR 42 CO -0.00 0.34 -0.12 0.74 0.37 0.00 0.00 175.52 176.85 1sqv h THR 43 N 0.61 0.78 -0.47 3.16 2.02 -1.44 0.28 112.91 117.85 1sqv h THR 43 Ca 0.12 -0.08 0.08 0.00 0.77 0.00 0.00 66.41 67.29 1sqv h THR 43 Cb 0.46 0.83 -0.06 0.00 -1.74 0.00 0.00 68.15 67.63 1sqv h THR 43 CO 0.02 0.02 0.11 0.74 0.37 0.00 0.00 175.52 176.78 1sqv h THR 44 N -0.36 0.76 -0.81 3.16 2.02 -1.19 0.28 112.91 116.77 1sqv h THR 44 Ca -0.03 -0.09 0.13 0.00 0.77 0.00 0.00 66.41 67.19 1sqv h THR 44 Cb 0.28 0.48 -0.09 0.00 -1.74 0.00 0.00 68.15 67.09 1sqv h THR 44 CO 0.05 0.05 0.41 0.58 0.37 0.00 0.00 175.52 176.98 1sqv h VAL 45 N 0.25 0.76 -0.09 3.16 2.07 -0.62 0.86 116.25 122.64 1sqv h VAL 45 Ca 0.23 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 1sqv h VAL 45 Cb 0.30 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1sqv h VAL 45 CO -0.29 0.11 -0.06 1.23 0.02 0.00 0.00 177.57 178.58 1sqv h GLY 46 N 0.61 0.22 1.03 2.17 0.00 0.87 -2.82 103.07 105.15 1sqv h GLY 46 Ca 0.43 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 1sqv h GLY 46 CO -0.34 0.19 0.51 -2.08 0.00 0.00 0.00 176.54 174.82 1sqv h VAL 47 N -0.18 1.26 -0.91 4.60 2.07 0.28 -2.55 116.25 120.82 1sqv h VAL 47 Ca 0.02 -0.62 0.04 0.00 0.82 0.00 0.00 66.70 66.96 1sqv h VAL 47 Cb 0.53 0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.26 1sqv h VAL 47 CO 0.02 0.29 0.59 0.00 0.02 0.00 0.00 177.57 178.48 1sqv h ALA 48 N 1.28 1.22 -0.13 1.67 0.00 0.72 0.58 119.26 124.60 1sqv h ALA 48 Ca 0.32 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1sqv h ALA 48 Cb 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1sqv h ALA 48 CO -0.05 0.42 0.05 -0.92 0.00 0.00 0.00 179.25 178.75 1sqv h TYR 49 N 1.12 0.20 -0.29 0.00 5.03 -1.26 0.35 116.97 122.12 1sqv h TYR 49 Ca 0.37 -0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.55 1sqv h TYR 49 Cb 0.04 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.25 1sqv h TYR 49 CO -0.02 0.29 -0.29 0.00 -1.32 0.00 0.00 178.16 176.82 1sqv h ALA 50 N 0.89 0.94 -0.01 1.82 0.00 -0.99 -3.15 119.26 118.76 1sqv h ALA 50 Ca 0.04 -0.38 -0.25 0.00 0.00 0.00 0.00 54.91 54.32 1sqv h ALA 50 Cb 0.18 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1sqv h ALA 50 CO -0.00 0.61 -0.99 0.00 0.00 0.00 0.00 179.25 178.86 1sqv h ALA 51 N 1.16 0.22 -0.41 0.00 0.00 0.52 -2.82 119.26 117.93 1sqv h ALA 51 Ca 0.07 -0.69 0.08 0.00 0.00 0.00 0.00 54.91 54.36 1sqv h ALA 51 Cb 0.77 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.49 1sqv h ALA 51 CO 0.06 0.73 -0.29 -0.22 0.00 0.00 0.00 179.25 179.53 1sqv h LYS 52 N 0.35 -0.21 0.39 0.00 1.63 -1.02 -2.57 116.57 115.16 1sqv h LYS 52 Ca -0.11 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.69 1sqv h LYS 52 Cb 1.64 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 33.32 1sqv h LYS 52 CO 0.19 -0.14 -0.19 -0.91 -3.45 0.00 0.00 179.45 174.95 1sqv h ASN 53 N -0.21 -0.45 -0.54 4.20 4.21 -1.46 0.30 115.58 121.62 1sqv h ASN 53 Ca 0.18 -0.09 0.10 0.00 1.21 0.00 0.00 56.30 57.71 1sqv h ASN 53 Cb 0.51 0.12 -0.08 0.00 -1.12 0.00 0.00 38.32 37.75 1sqv h ASN 53 CO -0.53 -0.17 0.08 0.58 -1.29 0.00 0.00 177.43 176.10 1sqv h VAL 54 N -0.72 0.65 0.23 2.81 2.07 -1.58 0.49 116.25 120.20 1sqv h VAL 54 Ca -0.05 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1sqv h VAL 54 Cb 0.51 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1sqv h VAL 54 CO 0.09 0.04 -0.11 0.58 0.02 0.00 0.00 177.57 178.18 1sqv h VAL 55 N 0.21 0.77 -0.43 2.57 2.07 -1.00 0.94 116.25 121.38 1sqv h VAL 55 Ca 0.28 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.85 1sqv h VAL 55 Cb 0.40 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 1sqv h VAL 55 CO -0.39 0.00 0.11 0.28 0.02 0.00 0.00 177.57 177.60 1sqv h SER 56 N -0.32 0.07 -0.28 0.57 0.02 -0.11 0.12 113.55 113.63 1sqv h SER 56 Ca -0.03 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1sqv h SER 56 Cb 0.24 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1sqv h SER 56 CO 0.05 0.07 0.18 1.56 -1.14 0.00 0.00 176.83 177.56 1sqv h GLN 57 N 0.26 0.38 -0.99 3.45 4.20 0.17 0.11 115.11 122.69 1sqv h GLN 57 Ca 0.21 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.91 1sqv h GLN 57 Cb 0.23 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.88 1sqv h GLN 57 CO -0.24 0.28 0.65 0.74 -0.67 0.00 0.00 178.83 179.59 1sqv h PHE 58 N 0.37 1.24 -0.08 2.96 -1.00 -0.36 -2.36 116.94 117.70 1sqv h PHE 58 Ca 0.10 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.91 1sqv h PHE 58 Cb -0.01 -0.42 -0.00 0.00 3.61 0.00 0.00 35.95 39.13 1sqv h PHE 58 CO -0.05 0.75 0.04 0.28 -1.61 0.00 0.00 178.31 177.73 1sqv h VAL 59 N 1.31 1.11 0.00 -0.55 2.07 -0.04 -3.11 116.25 117.04 1sqv h VAL 59 Ca 0.37 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 1sqv h VAL 59 Cb -0.10 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1sqv h VAL 59 CO -0.09 0.10 -0.08 0.28 0.02 0.00 0.00 177.57 177.79 1sqv h SER 60 N 0.01 0.00 -0.02 0.57 0.02 -0.41 -2.53 113.55 111.18 1sqv h SER 60 Ca 0.03 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1sqv h SER 60 Cb 0.12 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 1sqv h SER 60 CO -0.00 0.08 0.02 0.77 -1.14 0.00 0.00 176.83 176.56 1sqv h SER 61 N 0.00 0.00 0.78 3.07 4.64 -1.36 -2.64 113.55 118.04 1sqv h SER 61 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sqv h SER 61 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1sqv h SER 61 CO 0.01 0.00 -0.70 0.23 -0.87 0.00 0.00 176.83 175.50 1sqv n MET 62 N -3.92 0.29 0.00 4.77 2.81 -0.95 -4.63 117.12 115.49 1sqv n MET 62 Ca -0.02 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 1sqv n MET 62 Cb 0.11 -1.67 0.00 0.00 -0.71 0.00 0.00 33.22 30.95 1sqv n MET 62 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1sqv n SER 63 N -2.08 0.00 -0.65 7.83 7.64 -0.99 -5.08 113.62 120.29 1sqv n SER 63 Ca 0.03 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1sqv n SER 63 Cb 0.44 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 1sqv n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sqv n ALA 64 N -1.13 -2.25 0.00 -0.43 0.00 -1.24 -5.03 120.51 110.44 1sqv n ALA 64 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1sqv n ALA 64 Cb 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1sqv n ALA 64 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1sqv n SER 65 N -0.47 0.00 0.02 0.00 3.41 -1.26 -4.32 113.62 111.01 1sqv n SER 65 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 1sqv n SER 65 Cb 0.00 0.00 0.55 0.00 -0.26 0.00 0.00 64.21 64.50 1sqv n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sqv n ALA 66 N -1.00 2.23 0.19 7.33 0.00 -1.26 -4.65 120.51 123.34 1sqv n ALA 66 Ca 0.00 -0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.43 1sqv n ALA 66 Cb 0.00 -1.44 0.20 0.00 0.00 0.00 0.00 19.45 18.21 1sqv n ALA 66 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1sqv h ASP 67 N 0.00 0.00 0.00 0.00 5.19 -1.96 -3.26 116.42 116.39 1sqv h ASP 67 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1sqv h ASP 67 Cb 0.50 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.01 1sqv h ASP 67 CO 0.00 0.29 0.00 0.52 -3.12 0.00 0.00 179.24 176.93 1sqv n VAL 68 N -3.24 0.95 -2.45 -1.35 0.31 -1.26 -4.16 118.33 107.13 1sqv n VAL 68 Ca 0.02 -0.20 -0.39 0.00 -0.01 0.00 0.00 64.34 63.76 1sqv n VAL 68 Cb 0.59 -1.13 -0.02 0.00 -0.91 0.00 0.00 33.84 32.36 1sqv n VAL 68 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 1sqv s LEU 69 N 0.00 3.56 -0.66 7.52 0.05 -1.23 -5.00 118.68 122.92 1sqv s LEU 69 Ca 0.00 -1.89 -0.26 0.00 0.05 0.00 0.00 54.13 52.02 1sqv s LEU 69 Cb 0.00 -2.58 -0.02 0.00 -2.05 0.00 0.00 46.19 41.54 1sqv s LEU 69 CO 0.00 -1.70 1.84 0.00 -0.55 0.00 0.00 176.35 175.94 1sqv s ALA 70 N 6.00 2.14 0.63 1.48 0.00 -1.26 -4.89 121.76 125.86 1sqv s ALA 70 Ca 0.55 -0.80 -0.19 0.00 0.00 0.00 0.00 51.96 51.52 1sqv s ALA 70 Cb 0.01 -4.33 -0.02 0.00 0.00 0.00 0.00 23.12 18.78 1sqv s ALA 70 CO 0.03 -3.98 1.31 -1.64 0.00 0.00 0.00 175.76 171.48 1sqv s MET 71 N 6.96 2.63 -0.28 0.00 -1.94 -1.26 -4.76 119.30 120.65 1sqv s MET 71 Ca 0.66 2.10 -0.05 0.00 -1.71 0.00 0.00 55.69 56.69 1sqv s MET 71 Cb -0.12 -1.90 -0.15 0.00 2.01 0.00 0.00 34.83 34.67 1sqv s MET 71 CO 0.18 -1.55 2.57 0.45 -0.01 0.00 0.00 175.02 176.66 1sqv n SER 72 N -1.78 4.21 -1.09 3.03 2.88 -1.26 -4.84 113.62 114.76 1sqv n SER 72 Ca 0.15 -2.23 0.14 0.00 -1.33 0.00 0.00 58.87 55.60 1sqv n SER 72 Cb 0.48 -1.04 -0.04 0.00 -0.75 0.00 0.00 64.21 62.86 1sqv n SER 72 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1sqv n LYS 73 N 3.00 -2.16 -3.71 -1.46 5.02 -1.26 -4.97 118.16 112.62 1sqv n LYS 73 Ca 0.36 1.48 -0.14 0.00 -2.02 0.00 0.00 58.31 57.98 1sqv n LYS 73 Cb 0.51 -2.66 -0.15 0.00 -0.02 0.00 0.00 35.03 32.72 1sqv n LYS 73 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1sqv s ILE 74 N -2.25 -0.15 -0.17 -0.18 1.10 -1.22 -5.01 121.20 113.32 1sqv s ILE 74 Ca 0.00 0.24 -0.23 0.00 -0.51 0.00 0.00 60.65 60.15 1sqv s ILE 74 Cb 0.00 -0.29 -0.02 0.00 0.15 0.00 0.00 42.46 42.30 1sqv s ILE 74 CO 0.00 0.10 0.75 -1.83 -2.11 0.00 0.00 174.94 171.85 1sqv s GLU 75 N 1.66 4.28 -0.04 3.50 -1.05 -1.26 -3.69 118.70 122.09 1sqv s GLU 75 Ca -0.04 0.86 0.04 0.00 -0.15 0.00 0.00 54.97 55.67 1sqv s GLU 75 Cb -0.12 -3.56 0.00 0.00 -0.44 0.00 0.00 34.13 30.01 1sqv s GLU 75 CO -0.06 -0.26 -0.14 0.42 0.95 0.00 0.00 175.26 176.16 1sqv s ILE 76 N 1.94 1.21 0.20 1.83 1.01 -1.24 -5.07 121.20 121.08 1sqv s ILE 76 Ca 0.35 -0.58 -0.30 0.00 0.00 0.00 0.00 60.65 60.11 1sqv s ILE 76 Cb -0.16 -1.05 -0.08 0.00 0.01 0.00 0.00 42.46 41.17 1sqv s ILE 76 CO 0.12 0.36 1.14 -0.75 0.00 0.00 0.00 174.94 175.81 1sqv s LYS 77 N 0.16 4.56 -0.02 2.79 2.20 -1.26 -3.82 119.74 124.34 1sqv s LYS 77 Ca -0.05 1.80 -0.17 0.00 -0.36 0.00 0.00 55.97 57.19 1sqv s LYS 77 Cb -0.11 -3.24 -0.33 0.00 -1.51 0.00 0.00 37.83 32.64 1sqv s LYS 77 CO 0.02 0.04 0.87 -0.07 -0.36 0.00 0.00 175.35 175.85 1sqv h LEU 78 N 4.85 0.64 -4.46 5.43 3.38 -1.92 -3.31 115.31 119.92 1sqv h LEU 78 Ca -0.45 -0.93 -0.60 0.00 0.09 0.00 0.00 57.88 55.99 1sqv h LEU 78 Cb 1.21 -0.21 -0.22 0.00 0.09 0.00 0.00 40.66 41.53 1sqv h LEU 78 CO 0.72 1.61 0.72 -1.54 0.09 0.00 0.00 178.44 180.04 1sqv n SER 79 N -3.86 7.06 -0.29 -0.43 3.41 -1.26 -4.01 113.62 114.24 1sqv n SER 79 Ca -0.18 -3.51 0.04 0.00 -0.26 0.00 0.00 58.87 54.96 1sqv n SER 79 Cb 0.99 -1.11 0.03 0.00 -0.26 0.00 0.00 64.21 63.86 1sqv n SER 79 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1sqv n ASP 80 N -0.00 1.62 -4.02 4.04 8.00 -1.25 -4.99 116.55 119.95 1sqv n ASP 80 Ca 0.51 -1.32 -0.26 0.00 0.71 0.00 0.00 54.79 54.43 1sqv n ASP 80 Cb 0.46 -0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 41.39 1sqv n ASP 80 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1sqv s ILE 81 N -0.61 1.20 0.66 0.53 1.09 -1.26 -5.15 121.20 117.66 1sqv s ILE 81 Ca 0.09 -0.50 -0.16 0.00 -1.10 0.00 0.00 60.65 58.97 1sqv s ILE 81 Cb 0.06 -1.11 -0.00 0.00 -1.06 0.00 0.00 42.46 40.35 1sqv s ILE 81 CO 0.09 0.37 1.18 -2.16 -0.10 0.00 0.00 174.94 174.32 1sqv s PRO 82 N 0.81 2.66 -0.94 2.79 0.04 -1.26 -4.86 135.00 134.24 1sqv s PRO 82 Ca -0.12 1.67 -0.25 0.00 0.04 0.00 0.00 61.00 62.34 1sqv s PRO 82 Cb -0.15 -1.91 -0.13 0.00 0.04 0.00 0.00 34.50 32.35 1sqv s PRO 82 CO 0.02 -1.41 2.15 -2.00 0.04 0.00 0.00 177.00 175.80 1sqv s GLU 83 N -3.73 1.89 0.00 4.56 2.12 -1.26 -3.08 118.70 119.20 1sqv s GLU 83 Ca 0.73 -0.16 0.00 0.00 0.36 0.00 0.00 54.97 55.90 1sqv s GLU 83 Cb -0.27 -4.97 0.00 0.00 0.26 0.00 0.00 34.13 29.15 1sqv s GLU 83 CO 0.39 -4.33 0.00 0.41 -0.54 0.00 0.00 175.26 171.19 1sqv n GLY 84 N 6.54 0.00 2.85 -1.50 0.00 -1.23 -4.63 105.19 107.22 1sqv n GLY 84 Ca 0.44 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.32 1sqv n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sqv s LYS 85 N 0.00 0.02 0.23 1.61 -0.14 -1.18 -4.93 119.74 115.35 1sqv s LYS 85 Ca 0.00 0.20 -0.30 0.00 -1.36 0.00 0.00 55.97 54.51 1sqv s LYS 85 Cb 0.00 -0.16 -0.10 0.00 -1.68 0.00 0.00 37.83 35.89 1sqv s LYS 85 CO 0.00 -0.12 1.48 1.21 -0.76 0.00 0.00 175.35 177.15 1sqv s ASN 86 N 0.81 6.62 -0.03 2.83 2.47 -1.26 -3.91 114.94 122.47 1sqv s ASN 86 Ca -0.07 2.66 0.07 0.00 0.42 0.00 0.00 52.86 55.95 1sqv s ASN 86 Cb -0.09 -2.62 -0.02 0.00 -1.45 0.00 0.00 41.25 37.08 1sqv s ASN 86 CO -0.03 -0.74 -0.25 -0.32 -3.72 0.00 0.00 177.10 172.04 1sqv s MET 87 N -0.01 2.10 -0.25 0.43 -2.45 -0.75 -5.01 119.30 113.37 1sqv s MET 87 Ca 0.62 -0.89 0.03 0.00 -1.25 0.00 0.00 55.69 54.20 1sqv s MET 87 Cb -0.43 -1.98 0.05 0.00 1.25 0.00 0.00 34.83 33.73 1sqv s MET 87 CO 0.41 0.51 -0.13 0.00 1.05 0.00 0.00 175.02 176.86 1sqv s ALA 88 N -0.50 2.52 -0.02 4.11 0.00 -1.26 -2.96 121.76 123.66 1sqv s ALA 88 Ca 0.07 -1.67 0.07 0.00 0.00 0.00 0.00 51.96 50.43 1sqv s ALA 88 Cb -0.10 -1.52 -0.02 0.00 0.00 0.00 0.00 23.12 21.48 1sqv s ALA 88 CO -0.00 -1.05 -0.23 -0.06 0.00 0.00 0.00 175.76 174.42 1sqv s PHE 89 N 1.14 2.03 -0.22 0.00 0.08 -1.09 -4.96 117.98 114.96 1sqv s PHE 89 Ca -0.07 -0.39 -0.29 0.00 0.12 0.00 0.00 56.93 56.31 1sqv s PHE 89 Cb -0.19 -1.31 -0.04 0.00 -0.57 0.00 0.00 43.02 40.91 1sqv s PHE 89 CO -0.06 -0.04 1.95 0.21 -0.10 0.00 0.00 175.22 177.18 1sqv s LYS 90 N -0.53 3.45 -0.04 0.44 2.20 -1.26 -0.36 119.74 123.64 1sqv s LYS 90 Ca 0.09 1.86 0.02 0.00 -0.36 0.00 0.00 55.97 57.58 1sqv s LYS 90 Cb -0.09 -4.23 0.01 0.00 -1.51 0.00 0.00 37.83 32.01 1sqv s LYS 90 CO -0.01 -1.73 -0.10 -0.46 -0.36 0.00 0.00 175.35 172.69 1sqv s TRP 91 N 6.81 1.14 0.00 4.03 -0.00 -1.26 -4.88 118.94 124.77 1sqv s TRP 91 Ca 0.87 -0.34 0.00 0.00 -0.00 0.00 0.00 56.10 56.63 1sqv s TRP 91 Cb -0.30 -0.84 0.00 0.00 -0.00 0.00 0.00 33.47 32.34 1sqv s TRP 91 CO 0.34 -0.17 0.00 0.54 -0.00 0.00 0.00 176.95 177.66 1sqv n ARG 92 N 3.54 -1.27 0.00 5.86 1.74 -1.26 -1.05 116.66 124.22 1sqv n ARG 92 Ca -0.21 0.32 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 1sqv n ARG 92 Cb 0.53 -4.62 0.00 0.00 -1.02 0.00 0.00 32.46 27.35 1sqv n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sqv n GLY 93 N -0.18 3.26 3.08 -0.13 0.00 -1.26 -5.01 105.19 104.95 1sqv n GLY 93 Ca 0.00 -0.92 -0.25 0.00 0.00 0.00 0.00 46.02 44.85 1sqv n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sqv s LYS 94 N 0.00 1.72 0.65 1.61 -0.14 -0.21 -4.98 119.74 118.38 1sqv s LYS 94 Ca 0.00 -0.51 -0.17 0.00 -1.36 0.00 0.00 55.97 53.93 1sqv s LYS 94 Cb 0.00 -1.45 -0.01 0.00 -1.68 0.00 0.00 37.83 34.69 1sqv s LYS 94 CO 0.00 0.14 1.17 -2.14 -0.76 0.00 0.00 175.35 173.77 1sqv s PRO 95 N 0.30 2.72 -0.20 -1.68 0.02 -1.26 -4.24 135.00 130.66 1sqv s PRO 95 Ca -0.08 1.67 -0.07 0.00 0.02 0.00 0.00 61.00 62.54 1sqv s PRO 95 Cb -0.13 -1.91 -0.04 0.00 0.02 0.00 0.00 34.50 32.44 1sqv s PRO 95 CO 0.03 -1.37 0.05 -1.17 -0.33 0.00 0.00 177.00 174.21 1sqv s LEU 96 N -4.57 3.62 -0.27 -5.54 2.96 0.52 -0.24 118.68 115.16 1sqv s LEU 96 Ca 0.73 -0.04 -0.08 0.00 -0.22 0.00 0.00 54.13 54.52 1sqv s LEU 96 Cb -0.27 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.47 1sqv s LEU 96 CO 0.38 0.11 0.10 -0.36 -1.32 0.00 0.00 176.35 175.26 1sqv s PHE 97 N 0.77 3.12 -0.17 5.38 0.08 0.19 -2.67 117.98 124.69 1sqv s PHE 97 Ca 0.03 -0.44 -0.01 0.00 0.12 0.00 0.00 56.93 56.62 1sqv s PHE 97 Cb -0.14 -2.28 -0.01 0.00 -0.57 0.00 0.00 43.02 40.03 1sqv s PHE 97 CO 0.02 -0.38 -0.12 0.08 -0.10 0.00 0.00 175.22 174.73 1sqv s VAL 98 N 1.62 2.94 -0.25 -0.44 1.01 -1.15 -0.83 120.40 123.30 1sqv s VAL 98 Ca 0.06 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 1sqv s VAL 98 Cb -0.16 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 33.96 1sqv s VAL 98 CO 0.05 0.50 -0.00 -0.60 0.00 0.00 0.00 175.10 175.04 1sqv s ARG 99 N 0.88 3.20 0.18 2.72 6.06 -1.01 -1.81 118.95 129.17 1sqv s ARG 99 Ca -0.03 -0.75 -0.30 0.00 -2.50 0.00 0.00 55.73 52.15 1sqv s ARG 99 Cb -0.15 -3.13 -0.08 0.00 0.06 0.00 0.00 34.95 31.65 1sqv s ARG 99 CO -0.00 -0.31 1.13 -1.58 -2.50 0.00 0.00 175.30 172.04 1sqv s HIS 100 N 1.46 3.54 0.01 5.12 5.65 -1.25 -3.25 115.29 126.57 1sqv s HIS 100 Ca 0.04 1.55 0.08 0.00 0.25 0.00 0.00 55.06 56.97 1sqv s HIS 100 Cb -0.16 -3.32 -0.03 0.00 -1.18 0.00 0.00 32.58 27.90 1sqv s HIS 100 CO -0.01 -0.79 -0.24 1.03 -0.65 0.00 0.00 174.74 174.08 1sqv s ARG 101 N -0.31 2.00 0.62 2.88 0.52 -1.24 -3.37 118.95 120.04 1sqv s ARG 101 Ca 0.50 -1.00 -0.18 0.00 -0.52 0.00 0.00 55.73 54.54 1sqv s ARG 101 Cb -0.30 -2.06 -0.02 0.00 0.52 0.00 0.00 34.95 33.09 1sqv s ARG 101 CO 0.35 0.54 1.20 0.95 0.02 0.00 0.00 175.30 178.37 1sqv s THR 102 N -0.74 2.63 0.31 0.02 -4.23 -1.26 -4.71 115.64 107.66 1sqv s THR 102 Ca 0.11 0.37 -0.01 0.00 -1.18 0.00 0.00 61.69 60.99 1sqv s THR 102 Cb -0.10 -3.09 0.25 0.00 1.34 0.00 0.00 72.50 70.90 1sqv s THR 102 CO 0.01 -0.11 1.97 0.50 -0.54 0.00 0.00 174.62 176.45 1sqv h LYS 103 N 0.65 1.00 0.00 3.99 3.64 -1.99 -2.21 116.57 121.64 1sqv h LYS 103 Ca -0.50 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 58.78 1sqv h LYS 103 Cb 1.29 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1sqv h LYS 103 CO 0.54 0.68 -0.12 -0.22 -2.27 0.00 0.00 179.45 178.06 1sqv h LYS 104 N 1.02 0.00 -0.09 1.90 3.11 -1.99 0.55 116.57 121.07 1sqv h LYS 104 Ca 0.27 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 58.08 1sqv h LYS 104 Cb -0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.15 1sqv h LYS 104 CO -0.05 0.12 -0.06 0.93 -2.81 0.00 0.00 179.45 177.58 1sqv h GLU 105 N 0.00 0.19 -0.42 1.90 5.08 -1.80 -3.31 114.58 116.22 1sqv h GLU 105 Ca -0.00 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 1sqv h GLU 105 Cb 0.24 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1sqv h GLU 105 CO 0.02 0.59 -0.08 0.82 -1.00 0.00 0.00 179.01 179.35 1sqv h ILE 106 N -0.20 1.25 -0.98 3.13 2.04 -0.98 -2.88 117.51 118.89 1sqv h ILE 106 Ca 0.02 -1.08 0.16 0.00 1.00 0.00 0.00 64.86 64.96 1sqv h ILE 106 Cb 0.54 1.01 -0.17 0.00 -0.74 0.00 0.00 36.82 37.47 1sqv h ILE 106 CO 0.02 0.37 -0.35 0.44 0.00 0.00 0.00 178.15 178.63 1sqv h ASP 107 N 0.66 -1.29 -0.33 1.72 5.19 -1.02 -2.86 116.42 118.49 1sqv h ASP 107 Ca 0.12 0.30 -0.14 0.00 -0.62 0.00 0.00 57.03 56.70 1sqv h ASP 107 Cb 0.52 0.71 -0.01 0.00 0.18 0.00 0.00 39.33 40.74 1sqv h ASP 107 CO 0.03 -0.30 -0.30 1.56 -3.12 0.00 0.00 179.24 177.11 1sqv h GLN 108 N -0.01 0.86 -0.08 3.56 7.50 -1.60 -1.97 115.11 123.37 1sqv h GLN 108 Ca 0.37 -0.40 -0.13 0.00 0.50 0.00 0.00 58.65 58.99 1sqv h GLN 108 Cb 0.63 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.13 1sqv h GLN 108 CO -0.98 1.04 -0.54 0.93 -1.50 0.00 0.00 178.83 177.77 1sqv h GLU 109 N 0.72 0.24 -0.05 1.46 4.39 -1.60 0.28 114.58 120.04 1sqv h GLU 109 Ca 0.08 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1sqv h GLU 109 Cb 0.86 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.52 1sqv h GLU 109 CO 0.08 0.73 0.03 0.00 -1.16 0.00 0.00 179.01 178.68 1sqv h ALA 110 N 1.24 0.06 0.00 3.43 0.00 -1.46 -3.37 119.26 119.17 1sqv h ALA 110 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sqv h ALA 110 Cb 1.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1sqv h ALA 110 CO 0.08 -0.44 -0.17 0.00 0.00 0.00 0.00 179.25 178.73 1sqv n ALA 111 N -2.11 2.58 -1.68 0.00 0.00 -0.58 -4.88 120.51 113.84 1sqv n ALA 111 Ca -0.06 -0.14 -0.32 0.00 0.00 0.00 0.00 53.44 52.92 1sqv n ALA 111 Cb 0.04 -1.37 0.01 0.00 0.00 0.00 0.00 19.45 18.12 1sqv n ALA 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sqv s VAL 112 N -3.06 3.99 0.10 0.00 0.11 0.89 -5.00 120.40 117.44 1sqv s VAL 112 Ca 0.11 0.86 -0.31 0.00 -2.93 0.00 0.00 61.98 59.72 1sqv s VAL 112 Cb 0.16 -3.45 -0.08 0.00 -1.53 0.00 0.00 36.38 31.48 1sqv s VAL 112 CO 0.60 -0.63 1.39 -1.61 -3.33 0.00 0.00 175.10 171.53 1sqv s GLU 113 N -4.33 4.32 0.10 1.54 0.41 -1.26 -4.96 118.70 114.51 1sqv s GLU 113 Ca 0.61 2.07 0.22 0.00 -0.41 0.00 0.00 54.97 57.46 1sqv s GLU 113 Cb -0.15 -3.29 -0.12 0.00 -1.78 0.00 0.00 34.13 28.79 1sqv s GLU 113 CO 0.41 -0.46 0.83 1.55 -0.49 0.00 0.00 175.26 177.11 1sqv n VAL 114 N 4.04 0.33 0.68 2.63 3.14 -1.26 -4.20 118.33 123.70 1sqv n VAL 114 Ca 0.12 -0.49 0.11 0.00 -2.96 0.00 0.00 64.34 61.11 1sqv n VAL 114 Cb 0.42 -0.14 -0.07 0.00 -1.06 0.00 0.00 33.84 33.00 1sqv n VAL 114 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1sqv n SER 115 N -2.43 0.66 0.00 6.55 2.88 -1.26 -4.09 113.62 115.94 1sqv n SER 115 Ca -0.01 -0.54 0.09 0.00 -1.33 0.00 0.00 58.87 57.07 1sqv n SER 115 Cb 0.54 1.10 0.51 0.00 -0.75 0.00 0.00 64.21 65.61 1sqv n SER 115 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sqv n GLN 116 N -1.78 0.78 -4.15 -1.46 3.00 -1.26 -4.94 117.38 107.58 1sqv n GLN 116 Ca 0.02 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.69 1sqv n GLN 116 Cb 0.41 -1.34 -0.08 0.00 0.00 0.00 0.00 30.24 29.23 1sqv n GLN 116 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1sqv s LEU 117 N -1.69 3.67 0.01 1.08 0.20 -1.26 -5.06 118.68 115.63 1sqv s LEU 117 Ca 0.26 -0.00 -0.21 0.00 0.69 0.00 0.00 54.13 54.87 1sqv s LEU 117 Cb 0.12 -2.24 -0.11 0.00 -0.43 0.00 0.00 46.19 43.53 1sqv s LEU 117 CO 0.20 0.23 0.98 -0.09 -0.29 0.00 0.00 176.35 177.38 1sqv h ARG 118 N 3.84 -0.72 -3.91 1.98 2.43 -1.92 -3.40 114.38 112.68 1sqv h ARG 118 Ca -0.48 0.05 -0.75 0.00 -0.81 0.00 0.00 59.98 57.99 1sqv h ARG 118 Cb 1.17 0.16 -0.28 0.00 -0.42 0.00 0.00 29.97 30.60 1sqv h ARG 118 CO 0.61 -0.48 -0.15 0.34 -1.51 0.00 0.00 179.97 178.78 1sqv s ASP 119 N -4.12 6.13 -0.85 -3.80 2.15 -1.26 -5.03 116.67 109.89 1sqv s ASP 119 Ca -0.11 -2.44 -0.24 0.00 0.43 0.00 0.00 52.55 50.19 1sqv s ASP 119 Cb 0.01 -2.09 0.06 0.00 -0.30 0.00 0.00 42.92 40.60 1sqv s ASP 119 CO 0.33 -0.59 1.26 -2.16 -0.17 0.00 0.00 175.17 173.83 1sqv s PRO 120 N 0.56 3.37 -0.05 4.34 0.04 -1.26 -4.85 135.00 137.15 1sqv s PRO 120 Ca 0.13 -0.87 -0.03 0.00 0.04 0.00 0.00 61.00 60.26 1sqv s PRO 120 Cb -0.19 -4.70 0.02 0.00 0.04 0.00 0.00 34.50 29.68 1sqv s PRO 120 CO -0.04 -2.05 0.13 -0.65 0.04 0.00 0.00 177.00 174.42 1sqv s GLN 121 N 4.72 0.11 0.49 4.56 -0.21 -1.26 -5.10 119.66 122.96 1sqv s GLN 121 Ca 0.36 0.25 -0.23 0.00 0.02 0.00 0.00 55.36 55.76 1sqv s GLN 121 Cb -0.06 -0.05 -0.07 0.00 1.00 0.00 0.00 33.01 33.83 1sqv s GLN 121 CO 0.02 -0.08 1.25 -1.58 -2.12 0.00 0.00 175.29 172.78 1sqv s HIS 122 N 0.56 2.66 0.34 0.91 5.65 -1.26 -4.96 115.29 119.18 1sqv s HIS 122 Ca -0.04 1.46 0.05 0.00 0.25 0.00 0.00 55.06 56.79 1sqv s HIS 122 Cb -0.06 -3.56 0.70 0.00 -1.18 0.00 0.00 32.58 28.48 1sqv s HIS 122 CO -0.03 -2.07 1.90 0.22 -0.65 0.00 0.00 174.74 174.12 1sqv h ASP 123 N 1.89 0.75 0.39 9.88 1.82 -1.96 -2.91 116.42 126.28 1sqv h ASP 123 Ca -0.50 0.02 -0.05 0.00 -0.39 0.00 0.00 57.03 56.11 1sqv h ASP 123 Cb 1.27 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 41.14 1sqv h ASP 123 CO 0.59 0.44 -0.25 -0.07 -1.61 0.00 0.00 179.24 178.35 1sqv h LEU 124 N 0.82 0.00 -1.38 2.28 3.38 -1.92 -1.15 115.31 117.35 1sqv h LEU 124 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1sqv h LEU 124 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1sqv h LEU 124 CO -0.17 0.25 0.00 -1.84 0.09 0.00 0.00 178.44 176.77 1sqv n GLU 125 N -3.92 1.91 0.00 1.13 0.28 -1.11 -3.71 120.64 115.22 1sqv n GLU 125 Ca -0.02 -1.36 0.12 0.00 -0.16 0.00 0.00 57.16 55.74 1sqv n GLU 125 Cb 0.33 -1.42 0.14 0.00 1.43 0.00 0.00 31.44 31.92 1sqv n GLU 125 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1sqv n ARG 126 N 0.59 1.10 -4.38 3.44 1.74 -0.44 -4.98 116.66 113.74 1sqv n ARG 126 Ca 0.17 -0.83 -0.19 0.00 -0.77 0.00 0.00 57.85 56.23 1sqv n ARG 126 Cb 0.40 -1.48 -0.10 0.00 -1.02 0.00 0.00 32.46 30.25 1sqv n ARG 126 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1sqv s VAL 127 N -2.47 0.74 -0.09 1.55 -7.23 -1.16 -4.85 120.40 106.88 1sqv s VAL 127 Ca 0.21 -2.00 0.13 0.00 -1.81 0.00 0.00 61.98 58.51 1sqv s VAL 127 Cb 0.19 -2.65 -0.19 0.00 0.56 0.00 0.00 36.38 34.28 1sqv s VAL 127 CO 0.55 0.00 0.15 0.29 -0.31 0.00 0.00 175.10 175.78 1sqv n LYS 128 N -0.58 1.26 -3.70 4.82 5.02 -1.26 -4.95 118.16 118.77 1sqv n LYS 128 Ca -0.01 -0.06 -0.12 0.00 -2.02 0.00 0.00 58.31 56.10 1sqv n LYS 128 Cb 0.66 -1.36 -0.13 0.00 -0.02 0.00 0.00 35.03 34.19 1sqv n LYS 128 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1sqv s LYS 129 N -2.60 0.23 0.02 1.97 2.47 -1.26 -5.09 119.74 115.47 1sqv s LYS 129 Ca -0.06 0.65 0.11 0.00 -1.56 0.00 0.00 55.97 55.11 1sqv s LYS 129 Cb 0.06 -0.06 0.49 0.00 -1.46 0.00 0.00 37.83 36.86 1sqv s LYS 129 CO 0.59 -0.20 1.36 -2.30 0.16 0.00 0.00 175.35 174.96 1sqv n PRO 130 N 4.58 0.01 0.09 4.03 -0.02 -1.26 -2.56 135.00 139.87 1sqv n PRO 130 Ca -0.19 0.33 0.12 0.00 -2.02 0.00 0.00 63.50 61.74 1sqv n PRO 130 Cb 0.52 -1.52 0.20 0.00 -0.02 0.00 0.00 33.50 32.68 1sqv n PRO 130 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1sqv h GLU 131 N 0.00 0.00 -5.26 -0.52 9.09 -1.97 -3.46 114.58 112.46 1sqv h GLU 131 Ca 0.00 0.00 -0.59 0.00 0.05 0.00 0.00 59.36 58.82 1sqv h GLU 131 Cb 0.19 0.00 -0.32 0.00 -1.65 0.00 0.00 28.75 26.97 1sqv h GLU 131 CO 0.00 0.00 -0.85 -1.58 0.05 0.00 0.00 179.01 176.63 1sqv s TRP 132 N -3.18 1.88 -0.12 2.06 0.52 -1.06 -3.68 118.94 115.35 1sqv s TRP 132 Ca 0.06 -0.61 0.02 0.00 0.02 0.00 0.00 56.10 55.60 1sqv s TRP 132 Cb 0.12 -1.27 -0.00 0.00 -1.15 0.00 0.00 33.47 31.16 1sqv s TRP 132 CO 0.70 -0.23 -0.20 0.54 0.02 0.00 0.00 176.95 177.77 1sqv s VAL 133 N 0.17 2.31 -0.28 4.03 0.11 -1.20 -4.71 120.40 120.83 1sqv s VAL 133 Ca -0.08 -0.92 -0.07 0.00 -2.93 0.00 0.00 61.98 57.99 1sqv s VAL 133 Cb -0.13 -1.92 -0.00 0.00 -1.53 0.00 0.00 36.38 32.79 1sqv s VAL 133 CO 0.04 0.54 0.07 -0.63 -3.33 0.00 0.00 175.10 171.79 1sqv s ILE 134 N 0.53 4.03 0.07 7.04 1.01 -1.26 -2.40 121.20 130.23 1sqv s ILE 134 Ca -0.13 -0.54 0.04 0.00 0.00 0.00 0.00 60.65 60.02 1sqv s ILE 134 Cb -0.17 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.26 1sqv s ILE 134 CO 0.04 0.17 -0.10 -0.76 0.00 0.00 0.00 174.94 174.29 1sqv s LEU 135 N 1.53 2.32 -0.23 2.97 1.43 -0.01 -4.36 118.68 122.33 1sqv s LEU 135 Ca 0.04 -0.67 -0.15 0.00 -1.03 0.00 0.00 54.13 52.31 1sqv s LEU 135 Cb -0.16 -0.31 -0.04 0.00 0.03 0.00 0.00 46.19 45.70 1sqv s LEU 135 CO 0.02 -0.19 0.39 -0.63 0.23 0.00 0.00 176.35 176.17 1sqv s ILE 136 N -1.77 5.19 0.00 -0.59 1.01 -0.21 0.54 121.20 125.37 1sqv s ILE 136 Ca -0.02 0.65 0.00 0.00 0.00 0.00 0.00 60.65 61.28 1sqv s ILE 136 Cb -0.07 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.68 1sqv s ILE 136 CO 0.01 0.22 1.16 0.61 0.00 0.00 0.00 174.94 176.94 1sqv n GLY 137 N 4.17 1.67 3.14 6.18 0.00 0.67 -4.40 105.19 116.61 1sqv n GLY 137 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 1sqv n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sqv s VAL 138 N 0.76 2.75 0.19 1.61 1.01 -1.26 -4.05 120.40 121.42 1sqv s VAL 138 Ca 0.00 -1.53 -0.31 0.00 0.00 0.00 0.00 61.98 60.14 1sqv s VAL 138 Cb 0.00 -2.63 -0.10 0.00 0.00 0.00 0.00 36.38 33.65 1sqv s VAL 138 CO 0.00 -0.14 1.53 0.00 0.00 0.00 0.00 175.10 176.49 1sqv n THR 140 N 3.44 1.27 0.00 0.00 -2.24 -1.26 -2.28 114.28 113.21 1sqv n THR 140 Ca 0.12 0.51 0.00 0.00 -2.27 0.00 0.00 64.05 62.40 1sqv n THR 140 Cb 0.39 -1.46 0.00 0.00 -2.10 0.00 0.00 70.33 67.16 1sqv n THR 140 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1sqv n HIS 141 N -1.93 0.00 -1.11 4.78 -0.00 -1.26 -4.47 115.22 111.23 1sqv n HIS 141 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1sqv n HIS 141 Cb 0.08 -0.14 0.00 0.00 -0.00 0.00 0.00 29.99 29.93 1sqv n HIS 141 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1sqv n LEU 142 N -0.92 0.00 0.00 0.27 4.77 -1.22 -4.97 117.00 114.92 1sqv n LEU 142 Ca 0.00 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1sqv n LEU 142 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1sqv n LEU 142 CO 0.00 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 1sqv n GLY 143 N 0.00 1.08 3.80 -0.72 0.00 -0.97 -5.03 105.19 103.36 1sqv n GLY 143 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1sqv n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqv s VAL 145 N -2.67 4.48 0.11 0.00 1.01 -1.26 -2.15 120.40 119.92 1sqv s VAL 145 Ca 0.62 -0.27 -0.31 0.00 0.00 0.00 0.00 61.98 62.02 1sqv s VAL 145 Cb -0.16 -4.56 -0.07 0.00 0.00 0.00 0.00 36.38 31.59 1sqv s VAL 145 CO 0.44 -1.23 1.24 -2.84 0.00 0.00 0.00 175.10 172.71 1sqv s PRO 146 N 3.66 4.42 -0.03 2.72 0.02 -1.26 -4.85 135.00 139.69 1sqv s PRO 146 Ca 0.22 1.86 -0.30 0.00 0.02 0.00 0.00 61.00 62.80 1sqv s PRO 146 Cb -0.17 -3.30 -0.04 0.00 0.02 0.00 0.00 34.50 31.01 1sqv s PRO 146 CO 0.12 -0.25 1.29 0.42 -0.33 0.00 0.00 177.00 178.26 1sqv s ILE 147 N 0.78 3.99 0.34 2.83 1.01 0.43 -4.72 121.20 125.86 1sqv s ILE 147 Ca 0.58 1.35 -0.27 0.00 0.00 0.00 0.00 60.65 62.31 1sqv s ILE 147 Cb -0.32 -3.87 -0.09 0.00 0.01 0.00 0.00 42.46 38.19 1sqv s ILE 147 CO 0.31 0.00 1.10 0.00 0.00 0.00 0.00 174.94 176.35 1sqv s ALA 148 N 2.26 3.26 0.00 9.38 0.00 -1.26 -1.40 121.76 134.00 1sqv s ALA 148 Ca 0.60 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.40 1sqv s ALA 148 Cb -0.28 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1sqv s ALA 148 CO 0.24 -0.24 0.00 0.09 0.00 0.00 0.00 175.76 175.85 1sqv n ASN 149 N 0.60 0.00 -4.89 0.00 3.02 0.23 -4.98 115.26 109.23 1sqv n ASN 149 Ca 0.02 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.27 1sqv n ASN 149 Cb 0.47 -1.57 -0.04 0.00 -0.61 0.00 0.00 39.78 38.03 1sqv n ASN 149 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sqv s ALA 150 N -2.08 3.49 0.00 5.41 0.00 -1.25 -4.89 121.76 122.44 1sqv s ALA 150 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1sqv s ALA 150 Cb 0.00 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.62 1sqv s ALA 150 CO 0.00 0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.36 1sqv n GLY 151 N -0.92 4.55 0.02 0.00 0.00 -1.26 -2.83 105.19 104.75 1sqv n GLY 151 Ca 0.00 -1.27 0.13 0.00 0.00 0.00 0.00 46.02 44.88 1sqv n GLY 151 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sqv n ASP 152 N 0.00 0.41 -0.85 1.61 9.92 -1.26 -4.39 116.55 121.98 1sqv n ASP 152 Ca 0.00 -0.13 0.02 0.00 -0.53 0.00 0.00 54.79 54.14 1sqv n ASP 152 Cb 0.00 0.05 0.20 0.00 -0.64 0.00 0.00 41.12 40.73 1sqv n ASP 152 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1sqv n PHE 153 N -1.42 0.64 -1.38 1.24 3.01 -1.26 -5.01 117.46 113.29 1sqv n PHE 153 Ca 0.07 -1.43 -0.13 0.00 1.01 0.00 0.00 57.45 56.97 1sqv n PHE 153 Cb 0.33 -0.37 -0.06 0.00 -0.01 0.00 0.00 39.48 39.38 1sqv n PHE 153 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sqv n GLY 154 N -1.09 1.36 0.00 1.37 0.00 -1.26 -4.20 105.19 101.37 1sqv n GLY 154 Ca 0.26 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1sqv n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqv n GLY 155 N -0.96 0.16 2.92 -0.02 0.00 -1.22 -4.54 105.19 101.53 1sqv n GLY 155 Ca -0.13 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 1sqv n GLY 155 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sqv s TYR 156 N 0.00 0.53 -0.13 1.61 2.02 0.55 -0.60 117.35 121.33 1sqv s TYR 156 Ca 0.00 -0.11 0.01 0.00 -0.37 0.00 0.00 57.07 56.60 1sqv s TYR 156 Cb 0.00 -0.42 0.02 0.00 -0.40 0.00 0.00 41.96 41.16 1sqv s TYR 156 CO 0.00 -0.07 -0.13 -0.47 -1.57 0.00 0.00 175.55 173.31 1sqv s TYR 157 N 0.31 1.99 -0.45 2.71 5.04 -0.49 0.11 117.35 126.57 1sqv s TYR 157 Ca -0.03 -1.06 -0.23 0.00 -2.44 0.00 0.00 57.07 53.31 1sqv s TYR 157 Cb -0.07 -1.48 0.03 0.00 0.35 0.00 0.00 41.96 40.78 1sqv s TYR 157 CO -0.00 -0.59 0.79 0.00 -1.34 0.00 0.00 175.55 174.41 1sqv n PRO 159 N 6.73 0.83 0.16 0.00 -0.04 -1.26 -1.29 135.00 140.12 1sqv n PRO 159 Ca 0.02 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.39 1sqv n PRO 159 Cb 0.48 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.39 1sqv n PRO 159 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sqv n HIS 161 N -5.09 0.00 -1.00 0.00 8.25 -1.22 -5.05 115.22 111.10 1sqv n HIS 161 Ca -0.08 -0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1sqv n HIS 161 Cb 0.24 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.34 1sqv n HIS 161 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1sqv n GLY 162 N -0.10 0.71 3.46 -1.41 0.00 -0.41 -4.60 105.19 102.83 1sqv n GLY 162 Ca 0.00 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 1sqv n GLY 162 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sqv s SER 163 N -2.15 6.22 -0.44 1.61 0.01 -1.19 -4.16 113.70 113.60 1sqv s SER 163 Ca 0.00 -0.90 -0.27 0.00 1.31 0.00 0.00 55.95 56.09 1sqv s SER 163 Cb 0.00 -2.38 0.03 0.00 0.21 0.00 0.00 66.02 63.87 1sqv s SER 163 CO 0.00 -1.24 1.01 -1.00 0.41 0.00 0.00 173.24 172.42 1sqv s HIS 164 N 3.56 2.93 0.16 2.43 0.09 -0.97 -1.78 115.29 121.71 1sqv s HIS 164 Ca 0.21 0.64 0.04 0.00 -0.00 0.00 0.00 55.06 55.95 1sqv s HIS 164 Cb -0.17 -4.06 -0.04 0.00 -0.00 0.00 0.00 32.58 28.31 1sqv s HIS 164 CO 0.12 -1.09 0.21 0.71 -0.00 0.00 0.00 174.74 174.69 1sqv s TYR 165 N 3.95 3.31 0.00 1.40 2.02 0.30 -3.01 117.35 125.31 1sqv s TYR 165 Ca 0.42 0.04 0.00 0.00 -0.37 0.00 0.00 57.07 57.16 1sqv s TYR 165 Cb -0.09 -1.58 0.00 0.00 -0.40 0.00 0.00 41.96 39.88 1sqv s TYR 165 CO 0.26 0.52 0.00 -0.40 -1.57 0.00 0.00 175.55 174.36 1sqv n ASP 166 N -0.47 0.00 0.02 2.29 5.68 -1.13 -0.33 116.55 122.61 1sqv n ASP 166 Ca -0.08 -0.17 0.06 0.00 -0.50 0.00 0.00 54.79 54.11 1sqv n ASP 166 Cb 0.54 0.00 0.27 0.00 -1.14 0.00 0.00 41.12 40.79 1sqv n ASP 166 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sqv n ALA 167 N -3.00 1.50 0.71 2.12 0.00 -1.26 -3.70 120.51 116.87 1sqv n ALA 167 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.50 1sqv n ALA 167 Cb 0.00 -1.20 -0.02 0.00 0.00 0.00 0.00 19.45 18.23 1sqv n ALA 167 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1sqv n SER 168 N -1.60 1.41 0.00 0.00 2.88 -1.26 -4.95 113.62 110.10 1sqv n SER 168 Ca 0.02 -1.21 0.00 0.00 -1.33 0.00 0.00 58.87 56.36 1sqv n SER 168 Cb 0.13 0.59 0.00 0.00 -0.75 0.00 0.00 64.21 64.18 1sqv n SER 168 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sqv n GLY 169 N 1.19 0.69 3.81 0.46 0.00 -1.24 -4.87 105.19 105.22 1sqv n GLY 169 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1sqv n GLY 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sqv s ARG 170 N -0.11 3.85 -0.19 1.61 0.52 -1.26 -0.88 118.95 122.49 1sqv s ARG 170 Ca 0.00 1.22 -0.09 0.00 -0.52 0.00 0.00 55.73 56.35 1sqv s ARG 170 Cb 0.00 -2.11 -0.05 0.00 0.52 0.00 0.00 34.95 33.31 1sqv s ARG 170 CO 0.00 -0.37 0.10 -1.50 0.02 0.00 0.00 175.30 173.55 1sqv s ILE 171 N -2.19 5.14 0.00 1.52 1.10 -1.26 -2.84 121.20 122.67 1sqv s ILE 171 Ca 0.64 0.09 0.00 0.00 -0.51 0.00 0.00 60.65 60.88 1sqv s ILE 171 Cb -0.14 -3.34 0.00 0.00 0.15 0.00 0.00 42.46 39.14 1sqv s ILE 171 CO 0.22 0.45 0.00 -2.11 -2.11 0.00 0.00 174.94 171.39 1sqv n ARG 172 N 3.55 2.94 -4.47 3.50 0.00 -1.17 -3.96 116.66 117.05 1sqv n ARG 172 Ca -0.16 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.49 1sqv n ARG 172 Cb 0.52 -0.93 -0.15 0.00 -0.00 0.00 0.00 32.46 31.91 1sqv n ARG 172 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1sqv s LYS 173 N -1.86 0.89 1.85 2.89 1.02 -1.23 -4.98 119.74 118.33 1sqv s LYS 173 Ca 0.00 -0.40 0.00 0.00 0.02 0.00 0.00 55.97 55.59 1sqv s LYS 173 Cb 0.00 -0.86 0.00 0.00 -0.52 0.00 0.00 37.83 36.45 1sqv s LYS 173 CO 0.00 0.24 0.00 0.41 -0.92 0.00 0.00 175.35 175.08 1sqv n GLY 174 N 2.78 -0.81 0.13 -3.33 0.00 -1.26 -2.30 105.19 100.40 1sqv n GLY 174 Ca -0.14 -1.40 0.02 0.00 0.00 0.00 0.00 46.02 44.51 1sqv n GLY 174 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1sqv h PRO 175 N 0.00 0.00 -6.36 1.61 0.11 -1.81 -3.48 132.00 122.07 1sqv h PRO 175 Ca 0.00 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.56 1sqv h PRO 175 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1sqv h PRO 175 CO 0.00 0.46 0.57 0.00 -0.21 0.00 0.00 178.00 178.81 1sqv s ALA 176 N -2.96 3.38 0.14 -0.75 0.00 -1.26 -4.92 121.76 115.37 1sqv s ALA 176 Ca 0.03 0.60 -0.01 0.00 0.00 0.00 0.00 51.96 52.58 1sqv s ALA 176 Cb 0.08 -3.44 -0.09 0.00 0.00 0.00 0.00 23.12 19.67 1sqv s ALA 176 CO 0.75 -0.54 1.31 -1.00 0.00 0.00 0.00 175.76 176.29 1sqv h PRO 177 N 7.09 0.28 -5.95 0.00 0.13 -1.93 -3.47 132.00 128.15 1sqv h PRO 177 Ca -0.37 -0.33 -0.55 0.00 -0.87 0.00 0.00 66.00 63.88 1sqv h PRO 177 Cb 1.18 0.10 -0.14 0.00 0.13 0.00 0.00 31.00 32.27 1sqv h PRO 177 CO 0.83 1.05 -0.75 -0.51 -0.23 0.00 0.00 178.00 178.39 1sqv s LEU 178 N -7.48 2.58 0.60 1.56 1.43 -1.26 -4.58 118.68 111.52 1sqv s LEU 178 Ca -0.04 -1.03 -0.19 0.00 -1.03 0.00 0.00 54.13 51.83 1sqv s LEU 178 Cb 0.09 -0.93 -0.03 0.00 0.03 0.00 0.00 46.19 45.35 1sqv s LEU 178 CO 0.85 -0.05 1.27 0.20 0.23 0.00 0.00 176.35 178.85 1sqv s ASN 179 N -3.44 5.01 0.41 2.29 -0.87 -1.26 -4.67 114.94 112.41 1sqv s ASN 179 Ca 0.27 2.56 -0.26 0.00 -1.57 0.00 0.00 52.86 53.87 1sqv s ASN 179 Cb -0.03 -2.62 -0.10 0.00 -0.02 0.00 0.00 41.25 38.48 1sqv s ASN 179 CO 0.12 -1.73 1.27 0.18 -2.57 0.00 0.00 177.10 174.37 1sqv n LEU 180 N -1.55 3.95 -4.58 0.60 4.77 -0.06 -4.83 117.00 115.30 1sqv n LEU 180 Ca 0.14 1.12 -0.41 0.00 -0.03 0.00 0.00 56.01 56.82 1sqv n LEU 180 Cb 0.48 -1.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.04 1sqv n LEU 180 CO 0.47 -0.63 1.68 -1.61 -1.33 0.00 0.00 177.39 175.97 1sqv s GLU 181 N -2.16 3.00 -0.01 3.23 2.02 -1.26 -4.85 118.70 118.66 1sqv s GLU 181 Ca 0.60 1.43 -0.30 0.00 0.02 0.00 0.00 54.97 56.72 1sqv s GLU 181 Cb -0.52 -4.32 -0.03 0.00 0.10 0.00 0.00 34.13 29.36 1sqv s GLU 181 CO 0.59 -2.25 1.07 0.08 0.02 0.00 0.00 175.26 174.76 1sqv s VAL 182 N 8.31 4.55 0.78 2.63 1.01 -1.26 -1.05 120.40 135.37 1sqv s VAL 182 Ca 0.85 1.84 -0.05 0.00 0.00 0.00 0.00 61.98 64.62 1sqv s VAL 182 Cb -0.22 -4.18 0.14 0.00 0.00 0.00 0.00 36.38 32.12 1sqv s VAL 182 CO 0.31 0.09 1.08 -2.16 0.00 0.00 0.00 175.10 174.42 1sqv s PRO 183 N 1.40 1.42 0.08 2.72 0.05 -1.26 -5.03 135.00 134.39 1sqv s PRO 183 Ca 0.54 -0.91 -0.31 0.00 0.05 0.00 0.00 61.00 60.37 1sqv s PRO 183 Cb -0.23 -2.20 -0.08 0.00 0.05 0.00 0.00 34.50 32.04 1sqv s PRO 183 CO 0.25 -1.69 1.55 -1.12 0.05 0.00 0.00 177.00 176.04 1sqv s SER 184 N -4.77 6.68 0.00 6.66 0.01 -1.26 -5.06 113.70 115.97 1sqv s SER 184 Ca 0.68 2.42 -0.20 0.00 1.31 0.00 0.00 55.95 60.16 1sqv s SER 184 Cb -0.05 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.65 1sqv s SER 184 CO 0.47 -0.81 0.44 -0.72 0.41 0.00 0.00 173.24 173.03 1sqv s TYR 185 N 2.05 -0.33 0.13 2.43 -0.85 -1.26 -2.76 117.35 116.76 1sqv s TYR 185 Ca 0.70 0.46 -0.06 0.00 -0.52 0.00 0.00 57.07 57.65 1sqv s TYR 185 Cb -0.38 0.22 -0.02 0.00 0.38 0.00 0.00 41.96 42.16 1sqv s TYR 185 CO 0.31 -0.52 0.17 -1.83 -1.52 0.00 0.00 175.55 172.16 1sqv s GLU 186 N -1.76 0.97 -0.15 -3.49 4.04 -1.24 -5.06 118.70 112.01 1sqv s GLU 186 Ca -0.10 -1.20 -0.06 0.00 0.04 0.00 0.00 54.97 53.65 1sqv s GLU 186 Cb -0.02 0.32 -0.04 0.00 0.02 0.00 0.00 34.13 34.40 1sqv s GLU 186 CO 0.03 -0.31 0.07 -0.06 -1.84 0.00 0.00 175.26 173.14 1sqv s PHE 187 N -3.96 3.30 -0.12 4.83 0.40 -1.26 -3.67 117.98 117.49 1sqv s PHE 187 Ca 0.15 0.18 -0.00 0.00 -0.60 0.00 0.00 56.93 56.66 1sqv s PHE 187 Cb 0.05 -2.00 -0.07 0.00 0.51 0.00 0.00 43.02 41.51 1sqv s PHE 187 CO -0.03 0.32 -0.11 2.41 0.70 0.00 0.00 175.22 178.51 1sqv n THR 188 N 3.01 0.67 -2.74 0.64 -1.04 -1.26 -5.04 114.28 108.52 1sqv n THR 188 Ca -0.17 -0.24 0.00 0.00 -2.04 0.00 0.00 64.05 61.59 1sqv n THR 188 Cb 0.53 -1.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.02 1sqv n THR 188 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1sqv n SER 189 N -2.94 0.37 0.22 8.00 3.41 -1.26 -5.06 113.62 116.36 1sqv n SER 189 Ca -0.21 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.47 1sqv n SER 189 Cb 0.71 0.00 0.51 0.00 -0.26 0.00 0.00 64.21 65.17 1sqv n SER 189 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1sqv h ASP 190 N 0.00 0.00 0.12 4.04 3.04 -2.05 -3.38 116.42 118.19 1sqv h ASP 190 Ca 0.00 0.00 -0.36 0.00 -3.24 0.00 0.00 57.03 53.43 1sqv h ASP 190 Cb 0.00 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 38.24 1sqv h ASP 190 CO 0.00 0.25 -2.18 -0.90 -2.04 0.00 0.00 179.24 174.37 1sqv n ASP 191 N -3.90 1.54 -4.33 4.15 5.68 -1.26 -4.98 116.55 113.45 1sqv n ASP 191 Ca -0.02 0.09 -0.26 0.00 -0.50 0.00 0.00 54.79 54.11 1sqv n ASP 191 Cb 0.33 -0.29 -0.13 0.00 -1.14 0.00 0.00 41.12 39.90 1sqv n ASP 191 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 1sqv s MET 192 N -2.54 1.25 -0.05 0.11 -1.94 -1.26 -3.08 119.30 111.78 1sqv s MET 192 Ca -0.22 -1.27 0.02 0.00 -1.71 0.00 0.00 55.69 52.52 1sqv s MET 192 Cb 0.08 -1.58 0.01 0.00 2.01 0.00 0.00 34.83 35.35 1sqv s MET 192 CO 0.73 0.36 -0.11 0.54 -0.01 0.00 0.00 175.02 176.54 1sqv s VAL 193 N -1.23 0.98 -0.16 -6.03 0.11 -1.25 -4.04 120.40 108.78 1sqv s VAL 193 Ca 0.11 -0.41 -0.00 0.00 -2.93 0.00 0.00 61.98 58.74 1sqv s VAL 193 Cb -0.10 -0.90 -0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1sqv s VAL 193 CO 0.05 0.31 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.37 1sqv s ILE 194 N 0.58 2.83 -0.22 7.04 1.09 -1.24 -3.60 121.20 127.68 1sqv s ILE 194 Ca -0.11 -0.71 -0.02 0.00 -1.10 0.00 0.00 60.65 58.71 1sqv s ILE 194 Cb -0.14 -2.21 0.01 0.00 -1.06 0.00 0.00 42.46 39.06 1sqv s ILE 194 CO 0.02 0.51 -0.09 -0.69 -0.10 0.00 0.00 174.94 174.59 1sqv s VAL 195 N 0.82 2.84 0.00 2.92 1.01 -1.24 -3.69 120.40 123.05 1sqv s VAL 195 Ca -0.05 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1sqv s VAL 195 Cb -0.15 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1sqv s VAL 195 CO 0.00 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.08