#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rgh s VAL 2 N 0.00 4.75 -1.56 2.53 1.01 -1.26 -4.68 120.40 121.19 1rgh s VAL 2 Ca 0.00 2.00 0.17 0.00 0.00 0.00 0.00 61.98 64.15 1rgh s VAL 2 Cb 0.00 -4.29 0.33 0.00 0.00 0.00 0.00 36.38 32.43 1rgh s VAL 2 CO 0.00 0.03 1.46 -1.54 0.00 0.00 0.00 175.10 175.06 1rgh n SER 3 N 4.81 0.00 0.00 3.32 3.41 0.55 -4.97 113.62 120.74 1rgh n SER 3 Ca 0.08 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1rgh n SER 3 Cb 0.49 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1rgh n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rgh n GLY 4 N 0.10 0.35 3.65 5.00 0.00 -1.26 -5.00 105.19 108.03 1rgh n GLY 4 Ca 0.09 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.07 1rgh n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rgh s THR 5 N -2.36 4.00 -0.03 2.61 2.01 -1.26 -1.22 115.64 119.39 1rgh s THR 5 Ca 0.00 -0.60 0.04 0.00 0.31 0.00 0.00 61.69 61.44 1rgh s THR 5 Cb 0.00 -2.75 -0.00 0.00 0.01 0.00 0.00 72.50 69.76 1rgh s THR 5 CO 0.00 0.43 -0.15 0.54 -0.69 0.00 0.00 174.62 174.75 1rgh s VAL 6 N -1.01 1.22 0.36 3.82 0.11 -0.09 -4.88 120.40 119.93 1rgh s VAL 6 Ca 0.18 -0.61 -0.27 0.00 -2.93 0.00 0.00 61.98 58.34 1rgh s VAL 6 Cb -0.11 -1.05 -0.09 0.00 -1.53 0.00 0.00 36.38 33.59 1rgh s VAL 6 CO 0.08 0.36 1.21 0.00 -3.33 0.00 0.00 175.10 173.42 1rgh h LEU 8 N 3.06 0.63 -1.03 0.00 5.85 -0.88 -1.41 115.31 121.54 1rgh h LEU 8 Ca -0.49 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1rgh h LEU 8 Cb 1.23 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1rgh h LEU 8 CO 0.64 0.43 0.00 0.77 -0.34 0.00 0.00 178.44 179.94 1rgh h SER 9 N 0.73 0.00 1.13 1.25 4.64 -1.70 -2.33 113.55 117.27 1rgh h SER 9 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1rgh h SER 9 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1rgh h SER 9 CO -0.07 0.00 -0.57 0.00 -0.87 0.00 0.00 176.83 175.32 1rgh h ALA 10 N 2.17 0.66 -2.28 5.18 0.00 -1.54 -3.47 119.26 119.98 1rgh h ALA 10 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 1rgh h ALA 10 Cb 0.34 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.18 1rgh h ALA 10 CO 0.00 0.00 0.17 -0.51 0.00 0.00 0.00 179.25 178.91 1rgh s LEU 11 N -4.86 3.25 0.66 0.00 1.43 -0.88 -5.03 118.68 113.25 1rgh s LEU 11 Ca 0.05 0.73 -0.17 0.00 -1.03 0.00 0.00 54.13 53.70 1rgh s LEU 11 Cb 0.11 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.76 1rgh s LEU 11 CO 0.72 -1.04 1.08 -2.65 0.23 0.00 0.00 176.35 174.69 1rgh n PRO 12 N -2.57 0.81 0.20 1.29 -0.02 -1.26 -4.85 135.00 128.61 1rgh n PRO 12 Ca 0.04 0.33 0.11 0.00 -2.02 0.00 0.00 63.50 61.97 1rgh n PRO 12 Cb 0.57 -2.32 0.68 0.00 -0.02 0.00 0.00 33.50 32.41 1rgh n PRO 12 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1rgh h PRO 13 N 0.20 0.00 0.00 0.52 0.13 -1.95 -1.31 132.00 129.59 1rgh h PRO 13 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1rgh h PRO 13 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1rgh h PRO 13 CO 0.50 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.20 1rgh h GLU 14 N 0.00 0.00 -0.26 0.86 3.07 -1.88 -1.84 114.58 114.54 1rgh h GLU 14 Ca 0.06 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.85 1rgh h GLU 14 Cb 0.24 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 1rgh h GLU 14 CO -0.00 0.00 -0.12 0.00 -1.40 0.00 0.00 179.01 177.49 1rgh h ALA 15 N 2.02 1.32 -0.49 3.43 0.00 -1.57 -1.44 119.26 122.53 1rgh h ALA 15 Ca 0.00 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 1rgh h ALA 15 Cb 0.30 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1rgh h ALA 15 CO 0.00 0.45 -0.16 1.15 0.00 0.00 0.00 179.25 180.69 1rgh h THR 16 N 0.39 1.27 -0.37 0.00 2.02 -1.48 -1.53 112.91 113.22 1rgh h THR 16 Ca 0.08 -1.32 0.04 0.00 0.77 0.00 0.00 66.41 65.97 1rgh h THR 16 Cb 0.45 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 1rgh h THR 16 CO 0.03 0.46 0.15 0.44 0.37 0.00 0.00 175.52 176.97 1rgh h ASP 17 N 0.83 0.20 -0.52 4.18 3.32 -1.38 -1.14 116.42 121.92 1rgh h ASP 17 Ca 0.12 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1rgh h ASP 17 Cb 0.74 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 1rgh h ASP 17 CO 0.06 0.15 0.24 0.74 -1.72 0.00 0.00 179.24 178.71 1rgh h THR 18 N 0.32 1.20 -0.68 0.35 2.02 -1.12 -2.00 112.91 113.00 1rgh h THR 18 Ca 0.16 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 1rgh h THR 18 Cb 0.11 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1rgh h THR 18 CO -0.14 0.22 0.33 -0.07 0.37 0.00 0.00 175.52 176.23 1rgh h LEU 19 N 0.69 0.87 -0.97 2.58 3.38 -0.92 -0.14 115.31 120.79 1rgh h LEU 19 Ca 0.18 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1rgh h LEU 19 Cb 0.13 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1rgh h LEU 19 CO -0.02 0.73 0.44 0.78 0.09 0.00 0.00 178.44 180.46 1rgh h ASN 20 N 0.96 1.05 -0.26 -0.43 2.35 -0.85 -1.59 115.58 116.81 1rgh h ASN 20 Ca 0.24 -0.10 -0.11 0.00 -0.55 0.00 0.00 56.30 55.78 1rgh h ASN 20 Cb 0.09 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 1rgh h ASN 20 CO -0.03 0.85 -0.22 -0.07 -1.65 0.00 0.00 177.43 176.31 1rgh h LEU 21 N 1.17 0.74 -0.54 1.61 3.38 -0.66 -2.49 115.31 118.52 1rgh h LEU 21 Ca 0.29 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1rgh h LEU 21 Cb 0.05 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1rgh h LEU 21 CO -0.04 0.94 0.18 0.40 0.09 0.00 0.00 178.44 180.01 1rgh h ILE 22 N 0.64 1.23 -0.64 1.22 2.04 -0.73 0.98 117.51 122.25 1rgh h ILE 22 Ca 0.09 -0.77 0.05 0.00 1.00 0.00 0.00 64.86 65.23 1rgh h ILE 22 Cb 0.72 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 1rgh h ILE 22 CO 0.05 0.29 0.43 0.00 0.00 0.00 0.00 178.15 178.92 1rgh h ALA 23 N 1.04 1.70 -0.02 1.87 0.00 -1.01 -1.88 119.26 120.96 1rgh h ALA 23 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1rgh h ALA 23 Cb 0.26 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1rgh h ALA 23 CO -0.01 0.22 -0.05 -1.13 0.00 0.00 0.00 179.25 178.28 1rgh n SER 24 N -4.47 2.15 -3.58 0.00 3.41 -0.96 -4.95 113.62 105.21 1rgh n SER 24 Ca 0.08 -1.68 -0.23 0.00 -0.26 0.00 0.00 58.87 56.79 1rgh n SER 24 Cb 0.17 0.04 0.08 0.00 -0.26 0.00 0.00 64.21 64.24 1rgh n SER 24 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1rgh n ASP 25 N 0.62 -5.37 0.00 4.04 2.03 -0.14 -4.77 116.55 112.96 1rgh n ASP 25 Ca 0.16 -0.57 0.00 0.00 0.52 0.00 0.00 54.79 54.90 1rgh n ASP 25 Cb 0.47 -5.00 0.00 0.00 -0.72 0.00 0.00 41.12 35.87 1rgh n ASP 25 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rgh n GLY 26 N -1.82 -1.04 3.76 0.27 0.00 0.16 -4.77 105.19 101.75 1rgh n GLY 26 Ca -0.05 -1.36 -0.39 0.00 0.00 0.00 0.00 46.02 44.21 1rgh n GLY 26 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1rgh s PRO 27 N 0.00 3.63 0.24 1.61 0.02 -1.26 -4.98 135.00 134.26 1rgh s PRO 27 Ca 0.00 2.27 -0.03 0.00 0.02 0.00 0.00 61.00 63.25 1rgh s PRO 27 Cb 0.00 -2.57 -0.05 0.00 0.02 0.00 0.00 34.50 31.90 1rgh s PRO 27 CO 0.00 -0.81 0.47 -0.06 -0.33 0.00 0.00 177.00 176.27 1rgh s PHE 28 N -1.26 3.48 0.21 6.54 0.08 -1.26 -5.03 117.98 120.73 1rgh s PHE 28 Ca 0.63 0.52 -0.00 0.00 0.12 0.00 0.00 56.93 58.19 1rgh s PHE 28 Cb -0.40 -2.00 0.18 0.00 -0.57 0.00 0.00 43.02 40.22 1rgh s PHE 28 CO 0.51 0.28 1.54 -1.00 -0.10 0.00 0.00 175.22 176.44 1rgh h PRO 29 N 1.93 0.45 -6.40 0.24 0.13 -1.98 -3.45 132.00 122.91 1rgh h PRO 29 Ca -0.48 -0.28 -0.67 0.00 -0.87 0.00 0.00 66.00 63.71 1rgh h PRO 29 Cb 1.19 0.03 -0.15 0.00 0.13 0.00 0.00 31.00 32.19 1rgh h PRO 29 CO 0.67 0.88 -0.71 0.71 -0.23 0.00 0.00 178.00 179.33 1rgh s TYR 30 N -3.95 2.85 0.23 1.56 2.02 -1.26 -5.02 117.35 113.78 1rgh s TYR 30 Ca -0.06 -0.08 0.27 0.00 -0.37 0.00 0.00 57.07 56.83 1rgh s TYR 30 Cb 0.12 -1.52 1.20 0.00 -0.40 0.00 0.00 41.96 41.35 1rgh s TYR 30 CO 0.82 0.41 1.94 0.66 -1.57 0.00 0.00 175.55 177.82 1rgh h SER 31 N 3.94 0.00 0.72 2.29 4.64 -2.05 -1.87 113.55 121.21 1rgh h SER 31 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1rgh h SER 31 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1rgh h SER 31 CO 0.54 0.15 0.00 0.00 -0.87 0.00 0.00 176.83 176.66 1rgh n GLN 32 N -3.41 0.17 -2.12 4.77 1.13 -1.26 -4.83 117.38 111.83 1rgh n GLN 32 Ca -0.00 0.05 -0.42 0.00 -1.94 0.00 0.00 57.00 54.68 1rgh n GLN 32 Cb 0.34 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.16 1rgh n GLN 32 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1rgh s ASP 33 N -2.81 6.77 0.00 1.08 1.01 -0.71 -2.97 116.67 119.05 1rgh s ASP 33 Ca 0.18 2.41 0.00 0.00 0.71 0.00 0.00 52.55 55.85 1rgh s ASP 33 Cb 0.17 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.51 1rgh s ASP 33 CO 0.44 -0.68 0.00 0.61 0.21 0.00 0.00 175.17 175.75 1rgh n GLY 34 N 3.34 0.74 3.77 0.21 0.00 0.86 -5.01 105.19 109.11 1rgh n GLY 34 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1rgh n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rgh s VAL 35 N -2.49 3.40 0.25 1.61 -7.23 -1.16 -4.67 120.40 110.11 1rgh s VAL 35 Ca 0.00 0.45 -0.30 0.00 -1.81 0.00 0.00 61.98 60.32 1rgh s VAL 35 Cb 0.00 -2.98 -0.10 0.00 0.56 0.00 0.00 36.38 33.86 1rgh s VAL 35 CO 0.00 -0.59 1.43 -0.69 -0.31 0.00 0.00 175.10 174.93 1rgh s VAL 36 N -2.93 2.70 -0.23 1.32 1.01 -1.26 -1.10 120.40 119.90 1rgh s VAL 36 Ca 0.61 0.59 -0.17 0.00 0.00 0.00 0.00 61.98 63.01 1rgh s VAL 36 Cb -0.17 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 1rgh s VAL 36 CO 0.56 0.09 0.45 0.12 0.00 0.00 0.00 175.10 176.33 1rgh s PHE 37 N -0.04 3.32 -0.50 5.22 5.36 -0.10 -4.78 117.98 126.45 1rgh s PHE 37 Ca 0.59 0.61 0.24 0.00 -0.96 0.00 0.00 56.93 57.41 1rgh s PHE 37 Cb -0.41 -2.62 0.44 0.00 -0.34 0.00 0.00 43.02 40.08 1rgh s PHE 37 CO 0.43 -0.16 1.62 1.96 -1.46 0.00 0.00 175.22 177.62 1rgh h GLN 38 N 7.74 0.00 -6.12 10.12 4.20 -1.95 -3.40 115.11 125.70 1rgh h GLN 38 Ca -0.32 0.00 -0.44 0.00 0.06 0.00 0.00 58.65 57.94 1rgh h GLN 38 Cb 1.15 0.00 0.04 0.00 0.30 0.00 0.00 27.48 28.97 1rgh h GLN 38 CO 0.71 0.00 -0.73 -1.71 -0.67 0.00 0.00 178.83 176.42 1rgh n ASN 39 N -2.88 -5.19 -0.29 1.46 5.15 -1.26 -4.87 115.26 107.39 1rgh n ASN 39 Ca 0.04 -0.69 0.08 0.00 -0.60 0.00 0.00 54.58 53.41 1rgh n ASN 39 Cb 0.51 -4.34 0.23 0.00 -0.53 0.00 0.00 39.78 35.65 1rgh n ASN 39 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1rgh h ARG 40 N -2.31 0.50 -0.46 1.20 3.08 -1.99 -0.63 114.38 113.78 1rgh h ARG 40 Ca -0.58 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.44 1rgh h ARG 40 Cb 1.37 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.31 1rgh h ARG 40 CO 0.62 0.33 0.00 0.39 -1.07 0.00 0.00 179.97 180.25 1rgh n GLU 41 N -4.95 2.10 -3.82 0.04 -0.58 -1.26 -4.93 120.64 107.24 1rgh n GLU 41 Ca 0.17 -1.46 -0.30 0.00 -0.42 0.00 0.00 57.16 55.16 1rgh n GLU 41 Cb 0.48 -1.40 0.01 0.00 -0.57 0.00 0.00 31.44 29.96 1rgh n GLU 41 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1rgh n SER 42 N 0.60 -4.40 0.06 1.62 7.64 -0.24 -4.86 113.62 114.04 1rgh n SER 42 Ca 0.13 -0.72 -0.13 0.00 1.01 0.00 0.00 58.87 59.17 1rgh n SER 42 Cb 0.40 -3.55 -0.03 0.00 -1.01 0.00 0.00 64.21 60.02 1rgh n SER 42 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1rgh h VAL 43 N -1.71 1.40 -2.81 0.44 2.07 -1.92 -3.41 116.25 110.32 1rgh h VAL 43 Ca -0.55 -2.39 -0.47 0.00 0.82 0.00 0.00 66.70 64.11 1rgh h VAL 43 Cb 1.36 2.36 0.02 0.00 -1.52 0.00 0.00 31.29 33.51 1rgh h VAL 43 CO 0.66 0.72 -0.13 -0.76 0.02 0.00 0.00 177.57 178.07 1rgh s LEU 44 N -7.77 3.84 0.43 2.57 1.43 -1.26 -0.97 118.68 116.95 1rgh s LEU 44 Ca -0.06 0.40 -0.24 0.00 -1.03 0.00 0.00 54.13 53.21 1rgh s LEU 44 Cb 0.09 -3.28 -0.10 0.00 0.03 0.00 0.00 46.19 42.93 1rgh s LEU 44 CO 0.86 -0.48 0.95 -2.65 0.23 0.00 0.00 176.35 175.26 1rgh n PRO 45 N -1.94 1.21 -2.07 1.29 -0.02 -1.26 -4.89 135.00 127.33 1rgh n PRO 45 Ca -0.02 0.44 -0.42 0.00 -2.02 0.00 0.00 63.50 61.48 1rgh n PRO 45 Cb 0.57 -1.98 -0.03 0.00 -0.02 0.00 0.00 33.50 32.04 1rgh n PRO 45 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1rgh s THR 46 N -1.32 3.24 0.16 3.45 2.01 -1.26 -5.00 115.64 116.92 1rgh s THR 46 Ca 0.64 0.76 -0.01 0.00 0.31 0.00 0.00 61.69 63.38 1rgh s THR 46 Cb -0.55 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 1rgh s THR 46 CO 0.56 0.02 0.10 -1.10 -0.69 0.00 0.00 174.62 173.51 1rgh s GLN 47 N 2.04 1.05 0.62 4.92 -1.52 -1.26 -5.14 119.66 120.37 1rgh s GLN 47 Ca 0.68 -1.50 -0.19 0.00 -1.95 0.00 0.00 55.36 52.41 1rgh s GLN 47 Cb -0.37 0.26 -0.02 0.00 -0.22 0.00 0.00 33.01 32.66 1rgh s GLN 47 CO 0.30 -0.32 1.27 -1.12 -0.25 0.00 0.00 175.29 175.17 1rgh s SER 48 N -3.09 4.81 0.23 5.90 0.01 -1.26 -4.92 113.70 115.39 1rgh s SER 48 Ca 0.30 2.57 -0.32 0.00 1.31 0.00 0.00 55.95 59.81 1rgh s SER 48 Cb 0.07 -2.61 -0.13 0.00 0.21 0.00 0.00 66.02 63.56 1rgh s SER 48 CO 0.06 -1.86 1.57 0.00 0.41 0.00 0.00 173.24 173.42 1rgh n TYR 49 N -1.75 2.54 0.00 2.43 4.19 -1.26 -2.14 117.16 121.17 1rgh n TYR 49 Ca 0.15 0.26 0.00 0.00 3.31 0.00 0.00 57.90 61.62 1rgh n TYR 49 Cb 0.48 -2.57 0.00 0.00 0.49 0.00 0.00 39.34 37.75 1rgh n TYR 49 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1rgh n GLY 50 N 2.79 1.57 0.29 2.98 0.00 -1.26 -4.94 105.19 106.62 1rgh n GLY 50 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 1rgh n GLY 50 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1rgh h TYR 51 N 0.00 1.08 -3.05 1.61 5.03 -1.77 -3.44 116.97 116.43 1rgh h TYR 51 Ca 0.00 -0.23 -0.66 0.00 2.58 0.00 0.00 58.73 60.42 1rgh h TYR 51 Cb 0.00 -0.26 -0.09 0.00 1.55 0.00 0.00 36.73 37.92 1rgh h TYR 51 CO 0.00 1.03 -0.56 0.71 -1.32 0.00 0.00 178.16 178.02 1rgh s TYR 52 N -4.77 3.33 0.09 -3.82 2.02 -1.26 -3.63 117.35 109.31 1rgh s TYR 52 Ca -0.11 0.25 0.06 0.00 -0.37 0.00 0.00 57.07 56.90 1rgh s TYR 52 Cb 0.13 -1.77 -0.03 0.00 -0.40 0.00 0.00 41.96 39.89 1rgh s TYR 52 CO 0.86 0.57 -0.15 -1.01 -1.57 0.00 0.00 175.55 174.25 1rgh s HIS 53 N -1.17 1.35 0.12 2.71 3.76 -0.81 -0.92 115.29 120.33 1rgh s HIS 53 Ca 0.22 -0.49 0.11 0.00 -0.15 0.00 0.00 55.06 54.75 1rgh s HIS 53 Cb -0.12 -0.74 -0.04 0.00 1.11 0.00 0.00 32.58 32.79 1rgh s HIS 53 CO 0.13 0.10 -0.26 -2.00 -0.85 0.00 0.00 174.74 171.86 1rgh s GLU 54 N -2.07 1.46 -0.01 1.40 2.12 -0.26 -0.77 118.70 120.57 1rgh s GLU 54 Ca 0.03 -1.32 -0.01 0.00 0.36 0.00 0.00 54.97 54.03 1rgh s GLU 54 Cb -0.08 -1.93 0.00 0.00 0.26 0.00 0.00 34.13 32.38 1rgh s GLU 54 CO 0.03 0.46 0.02 0.71 -0.54 0.00 0.00 175.26 175.94 1rgh s TYR 55 N -1.05 -0.00 0.26 5.30 1.51 -0.25 -0.10 117.35 123.01 1rgh s TYR 55 Ca 0.14 0.02 -0.30 0.00 -1.01 0.00 0.00 57.07 55.93 1rgh s TYR 55 Cb -0.10 -0.01 -0.09 0.00 -0.11 0.00 0.00 41.96 41.65 1rgh s TYR 55 CO 0.06 -0.03 1.12 0.99 -1.11 0.00 0.00 175.55 176.57 1rgh s THR 56 N -0.13 3.53 -0.31 -0.71 2.01 -1.26 -1.18 115.64 117.57 1rgh s THR 56 Ca -0.02 1.47 -0.08 0.00 0.31 0.00 0.00 61.69 63.38 1rgh s THR 56 Cb -0.01 -3.94 0.02 0.00 0.01 0.00 0.00 72.50 68.58 1rgh s THR 56 CO -0.00 0.33 0.11 -0.69 -0.69 0.00 0.00 174.62 173.67 1rgh s VAL 57 N -0.91 4.07 0.35 3.82 1.01 -0.67 -4.80 120.40 123.28 1rgh s VAL 57 Ca 0.46 -0.77 -0.29 0.00 0.00 0.00 0.00 61.98 61.39 1rgh s VAL 57 Cb -0.32 -3.16 -0.11 0.00 0.00 0.00 0.00 36.38 32.80 1rgh s VAL 57 CO 0.40 -0.01 1.44 -0.63 0.00 0.00 0.00 175.10 176.30 1rgh s ILE 58 N 1.50 2.29 -0.39 2.22 1.01 -1.26 -4.44 121.20 122.12 1rgh s ILE 58 Ca 0.02 0.28 -0.08 0.00 0.00 0.00 0.00 60.65 60.87 1rgh s ILE 58 Cb -0.18 -3.18 0.06 0.00 0.01 0.00 0.00 42.46 39.17 1rgh s ILE 58 CO 0.03 0.06 0.21 -0.89 0.00 0.00 0.00 174.94 174.36 1rgh s THR 59 N -0.96 4.13 0.38 2.92 2.01 -1.26 -4.79 115.64 118.07 1rgh s THR 59 Ca 0.53 -1.27 -0.28 0.00 0.31 0.00 0.00 61.69 60.98 1rgh s THR 59 Cb -0.44 -3.45 -0.10 0.00 0.01 0.00 0.00 72.50 68.51 1rgh s THR 59 CO 0.58 -0.39 1.45 -2.84 -0.69 0.00 0.00 174.62 172.73 1rgh s PRO 60 N 1.43 4.06 0.00 4.92 0.02 -1.26 -2.18 135.00 141.99 1rgh s PRO 60 Ca 0.02 2.49 0.00 0.00 0.02 0.00 0.00 61.00 63.52 1rgh s PRO 60 Cb -0.21 -2.92 0.00 0.00 0.02 0.00 0.00 34.50 31.39 1rgh s PRO 60 CO 0.03 -0.54 0.00 0.41 -0.33 0.00 0.00 177.00 176.57 1rgh n GLY 61 N 0.53 2.49 3.83 0.52 0.00 -1.26 -5.04 105.19 106.26 1rgh n GLY 61 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1rgh n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rgh s ALA 62 N -2.26 3.11 -0.88 4.61 0.00 -0.93 -4.97 121.76 120.43 1rgh s ALA 62 Ca 0.00 0.28 0.24 0.00 0.00 0.00 0.00 51.96 52.48 1rgh s ALA 62 Cb 0.00 -3.06 0.31 0.00 0.00 0.00 0.00 23.12 20.37 1rgh s ALA 62 CO 0.00 0.11 1.27 2.89 0.00 0.00 0.00 175.76 180.03 1rgh n ARG 63 N -0.75 0.09 -3.12 0.00 1.85 -1.26 -4.91 116.66 108.56 1rgh n ARG 63 Ca 0.06 0.01 -0.15 0.00 -1.00 0.00 0.00 57.85 56.77 1rgh n ARG 63 Cb 0.54 -1.54 -0.02 0.00 -1.05 0.00 0.00 32.46 30.39 1rgh n ARG 63 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1rgh n THR 64 N -1.66 0.00 0.35 8.89 -2.24 -1.26 -5.01 114.28 113.36 1rgh n THR 64 Ca 0.04 -1.15 0.08 0.00 -2.27 0.00 0.00 64.05 60.75 1rgh n THR 64 Cb 0.37 0.09 0.36 0.00 -2.10 0.00 0.00 70.33 69.05 1rgh n THR 64 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1rgh n ARG 65 N -0.78 0.09 0.00 -0.78 1.74 -1.26 -4.87 116.66 110.80 1rgh n ARG 65 Ca -0.08 0.39 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 1rgh n ARG 65 Cb 0.32 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 1rgh n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rgh n GLY 66 N -0.36 -1.04 0.27 -0.13 0.00 -1.26 -4.55 105.19 98.12 1rgh n GLY 66 Ca 0.02 -1.20 0.03 0.00 0.00 0.00 0.00 46.02 44.87 1rgh n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rgh n THR 67 N -0.23 0.25 -3.72 2.61 -2.24 -1.26 -4.96 114.28 104.73 1rgh n THR 67 Ca 0.00 -0.62 -0.36 0.00 -2.27 0.00 0.00 64.05 60.79 1rgh n THR 67 Cb 0.00 0.97 -0.07 0.00 -2.10 0.00 0.00 70.33 69.13 1rgh n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1rgh s ARG 68 N -0.63 3.94 0.05 -0.78 0.52 -1.26 -1.11 118.95 119.68 1rgh s ARG 68 Ca 0.08 -0.07 -0.11 0.00 -0.52 0.00 0.00 55.73 55.11 1rgh s ARG 68 Cb 0.05 -3.33 0.01 0.00 0.52 0.00 0.00 34.95 32.20 1rgh s ARG 68 CO 0.08 0.47 0.24 1.03 0.02 0.00 0.00 175.30 177.14 1rgh s ARG 69 N -0.18 0.76 -0.16 3.54 1.81 -0.19 -1.66 118.95 122.86 1rgh s ARG 69 Ca 0.13 -0.61 -0.03 0.00 -1.72 0.00 0.00 55.73 53.50 1rgh s ARG 69 Cb -0.12 0.32 -0.02 0.00 -0.45 0.00 0.00 34.95 34.67 1rgh s ARG 69 CO 0.02 -0.23 -0.05 0.42 -0.68 0.00 0.00 175.30 174.78 1rgh s ILE 70 N -2.69 3.70 -0.18 1.52 1.01 -0.33 -1.53 121.20 122.69 1rgh s ILE 70 Ca -0.04 -0.42 -0.05 0.00 0.00 0.00 0.00 60.65 60.14 1rgh s ILE 70 Cb -0.00 -2.62 -0.03 0.00 0.01 0.00 0.00 42.46 39.82 1rgh s ILE 70 CO -0.04 0.49 0.00 -0.63 0.00 0.00 0.00 174.94 174.75 1rgh s ILE 71 N 0.51 4.09 0.03 2.92 1.09 0.11 -1.09 121.20 128.86 1rgh s ILE 71 Ca -0.04 -0.28 -0.02 0.00 -1.10 0.00 0.00 60.65 59.21 1rgh s ILE 71 Cb -0.15 -2.83 -0.04 0.00 -1.06 0.00 0.00 42.46 38.38 1rgh s ILE 71 CO 0.03 0.45 0.21 0.42 -0.10 0.00 0.00 174.94 175.95 1rgh s THR 72 N 0.70 5.40 0.52 2.92 -4.23 0.05 -0.52 115.64 120.47 1rgh s THR 72 Ca -0.00 -0.22 0.05 0.00 -1.18 0.00 0.00 61.69 60.34 1rgh s THR 72 Cb -0.14 -3.58 0.02 0.00 1.34 0.00 0.00 72.50 70.13 1rgh s THR 72 CO 0.02 0.24 0.30 -0.83 -0.54 0.00 0.00 174.62 173.81 1rgh s GLY 73 N -2.17 2.49 0.36 3.99 0.00 -0.10 -1.92 107.32 109.97 1rgh s GLY 73 Ca 0.31 -1.20 0.19 0.00 0.00 0.00 0.00 44.72 44.02 1rgh s GLY 73 CO 0.22 -1.98 1.56 0.83 0.00 0.00 0.00 173.10 173.74 1rgh h GLU 74 N 0.95 0.00 -7.34 2.90 5.08 -1.86 -3.43 114.58 110.88 1rgh h GLU 74 Ca -0.39 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.47 1rgh h GLU 74 Cb 1.30 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.67 1rgh h GLU 74 CO 0.62 0.27 0.33 0.00 -1.00 0.00 0.00 179.01 179.23 1rgh s ALA 75 N -3.14 2.27 0.14 3.43 0.00 -1.26 -4.94 121.76 118.25 1rgh s ALA 75 Ca 0.05 0.06 -0.31 0.00 0.00 0.00 0.00 51.96 51.76 1rgh s ALA 75 Cb 0.07 -3.20 -0.08 0.00 0.00 0.00 0.00 23.12 19.91 1rgh s ALA 75 CO 0.70 -1.69 1.37 0.95 0.00 0.00 0.00 175.76 177.10 1rgh s THR 76 N -3.00 3.25 -0.43 0.00 -4.23 -1.26 -1.69 115.64 108.28 1rgh s THR 76 Ca 0.60 0.93 0.00 0.00 -1.18 0.00 0.00 61.69 62.05 1rgh s THR 76 Cb -0.16 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 70.09 1rgh s THR 76 CO 0.55 0.09 0.00 0.00 -0.54 0.00 0.00 174.62 174.73 1rgh n GLN 77 N 3.58 -1.16 -2.67 3.99 1.13 -1.26 -4.90 117.38 116.09 1rgh n GLN 77 Ca 0.10 0.51 -0.42 0.00 -1.94 0.00 0.00 57.00 55.25 1rgh n GLN 77 Cb 0.42 -4.50 -0.03 0.00 0.11 0.00 0.00 30.24 26.25 1rgh n GLN 77 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1rgh s GLU 78 N -1.83 3.61 -0.09 -1.09 2.12 -0.68 -4.87 118.70 115.87 1rgh s GLU 78 Ca 0.00 -1.34 0.01 0.00 0.36 0.00 0.00 54.97 54.00 1rgh s GLU 78 Cb 0.00 -5.24 0.02 0.00 0.26 0.00 0.00 34.13 29.17 1rgh s GLU 78 CO 0.00 -2.08 -0.09 -0.51 -0.54 0.00 0.00 175.26 172.03 1rgh s ASP 79 N 4.57 1.92 -0.05 -1.70 1.01 -1.26 -0.92 116.67 120.23 1rgh s ASP 79 Ca 0.42 -0.29 0.03 0.00 0.71 0.00 0.00 52.55 53.43 1rgh s ASP 79 Cb -0.01 -0.81 -0.03 0.00 1.01 0.00 0.00 42.92 43.08 1rgh s ASP 79 CO -0.09 -0.05 -0.13 -0.31 0.21 0.00 0.00 175.17 174.80 1rgh s TYR 80 N 1.21 2.75 -0.12 4.23 2.02 0.32 -0.91 117.35 126.86 1rgh s TYR 80 Ca -0.04 -0.12 -0.04 0.00 -0.37 0.00 0.00 57.07 56.49 1rgh s TYR 80 Cb -0.14 -1.65 -0.04 0.00 -0.40 0.00 0.00 41.96 39.74 1rgh s TYR 80 CO -0.03 0.22 0.04 -0.47 -1.57 0.00 0.00 175.55 173.74 1rgh s TYR 81 N -0.75 3.26 -0.05 2.71 5.04 0.12 -0.71 117.35 126.98 1rgh s TYR 81 Ca 0.12 0.19 0.04 0.00 -2.44 0.00 0.00 57.07 54.98 1rgh s TYR 81 Cb -0.11 -1.90 -0.00 0.00 0.35 0.00 0.00 41.96 40.30 1rgh s TYR 81 CO 0.01 0.41 -0.16 -0.08 -1.34 0.00 0.00 175.55 174.39 1rgh s THR 82 N -0.52 1.32 -1.84 4.34 -1.32 -0.58 -1.38 115.64 115.66 1rgh s THR 82 Ca 0.10 -0.65 0.15 0.00 -1.21 0.00 0.00 61.69 60.08 1rgh s THR 82 Cb -0.12 -1.15 0.12 0.00 -1.51 0.00 0.00 72.50 69.84 1rgh s THR 82 CO 0.02 0.39 0.98 0.61 -2.21 0.00 0.00 174.62 174.40 1rgh n GLY 83 N 3.27 0.09 1.68 6.08 0.00 -1.26 -1.03 105.19 114.01 1rgh n GLY 83 Ca -0.19 -0.43 -0.03 0.00 0.00 0.00 0.00 46.02 45.38 1rgh n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rgh n ASP 84 N 0.83 2.24 -3.56 1.61 5.68 -1.17 -4.42 116.55 117.76 1rgh n ASP 84 Ca 0.09 -2.93 -0.23 0.00 -0.50 0.00 0.00 54.79 51.21 1rgh n ASP 84 Cb 0.37 -0.41 0.05 0.00 -1.14 0.00 0.00 41.12 39.99 1rgh n ASP 84 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1rgh n HIS 85 N -0.47 -2.08 -0.99 2.11 -0.00 -0.27 -3.02 115.22 110.50 1rgh n HIS 85 Ca 0.19 0.71 0.00 0.00 -0.00 0.00 0.00 57.72 58.62 1rgh n HIS 85 Cb 0.90 -4.01 0.00 0.00 -0.00 0.00 0.00 29.99 26.89 1rgh n HIS 85 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1rgh n TYR 86 N -3.94 0.00 -0.03 1.57 4.01 -1.26 -4.91 117.16 112.59 1rgh n TYR 86 Ca -0.16 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.44 1rgh n TYR 86 Cb 0.63 -0.22 -0.10 0.00 -0.31 0.00 0.00 39.34 39.34 1rgh n TYR 86 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1rgh h ALA 87 N 0.00 0.05 -2.90 -0.72 0.00 -1.95 -3.46 119.26 110.27 1rgh h ALA 87 Ca 0.00 -0.32 -0.36 0.00 0.00 0.00 0.00 54.91 54.23 1rgh h ALA 87 Cb 0.10 -0.01 -0.19 0.00 0.00 0.00 0.00 17.79 17.69 1rgh h ALA 87 CO 0.00 -0.11 -0.75 0.95 0.00 0.00 0.00 179.25 179.35 1rgh s THR 88 N -3.84 1.05 0.03 0.00 -4.23 -1.26 -5.06 115.64 102.32 1rgh s THR 88 Ca -0.16 -1.58 0.02 0.00 -1.18 0.00 0.00 61.69 58.79 1rgh s THR 88 Cb 0.02 -1.32 -0.02 0.00 1.34 0.00 0.00 72.50 72.52 1rgh s THR 88 CO 0.70 -0.46 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.88 1rgh s PHE 89 N -2.13 0.67 0.03 3.99 0.08 -1.26 -4.39 117.98 114.97 1rgh s PHE 89 Ca 0.04 -0.39 0.06 0.00 0.12 0.00 0.00 56.93 56.77 1rgh s PHE 89 Cb -0.05 -0.40 -0.02 0.00 -0.57 0.00 0.00 43.02 41.98 1rgh s PHE 89 CO 0.01 -0.05 -0.18 -1.12 -0.10 0.00 0.00 175.22 173.77 1rgh s SER 90 N -1.20 2.17 0.08 1.36 0.01 -0.48 -0.33 113.70 115.31 1rgh s SER 90 Ca -0.06 -0.47 -0.30 0.00 1.31 0.00 0.00 55.95 56.42 1rgh s SER 90 Cb -0.08 -0.18 -0.05 0.00 0.21 0.00 0.00 66.02 65.92 1rgh s SER 90 CO 0.00 0.13 1.04 -0.22 0.41 0.00 0.00 173.24 174.60 1rgh s LEU 91 N -1.06 4.43 -0.06 2.44 2.96 -0.36 -0.70 118.68 126.34 1rgh s LEU 91 Ca 0.06 1.84 -0.25 0.00 -0.22 0.00 0.00 54.13 55.56 1rgh s LEU 91 Cb -0.08 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 1rgh s LEU 91 CO 0.01 -0.23 0.79 -0.63 -1.32 0.00 0.00 176.35 174.97 1rgh s ILE 92 N 0.47 4.99 -0.40 6.68 1.01 -0.08 -0.91 121.20 132.96 1rgh s ILE 92 Ca 0.51 1.62 -0.14 0.00 0.00 0.00 0.00 60.65 62.64 1rgh s ILE 92 Cb -0.25 -4.12 0.02 0.00 0.01 0.00 0.00 42.46 38.12 1rgh s ILE 92 CO 0.30 0.21 0.28 -0.62 0.00 0.00 0.00 174.94 175.11 1rgh s ASP 93 N 0.89 6.06 0.00 3.58 -1.08 0.28 -4.78 116.67 121.61 1rgh s ASP 93 Ca 0.41 -0.86 0.24 0.00 -0.52 0.00 0.00 52.55 51.82 1rgh s ASP 93 Cb -0.18 -2.14 1.26 0.00 -1.46 0.00 0.00 42.92 40.40 1rgh s ASP 93 CO 0.20 -0.42 1.83 0.00 0.52 0.00 0.00 175.17 177.30 1rgh n GLN 94 N 5.13 1.22 0.00 4.34 6.02 -1.26 -1.25 117.38 131.58 1rgh n GLN 94 Ca -0.11 -0.32 0.12 0.00 -0.01 0.00 0.00 57.00 56.67 1rgh n GLN 94 Cb 0.47 -1.39 0.14 0.00 1.02 0.00 0.00 30.24 30.48 1rgh n GLN 94 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1rgh n THR 95 N -0.52 0.00 -0.84 5.09 -2.24 -1.26 -4.88 114.28 109.63 1rgh n THR 95 Ca 0.18 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1rgh n THR 95 Cb 0.16 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 1rgh n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50