#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 5.23 0.36 2.53 1.01 -1.26 -4.65 120.40 123.61 1rgh s VAL 2 Ca 0.00 0.62 0.06 0.00 0.00 0.00 0.00 61.98 62.66 1rgh s VAL 2 Cb 0.00 -3.63 0.18 0.00 0.00 0.00 0.00 36.38 32.93 1rgh s VAL 2 CO 0.00 0.51 1.92 0.28 0.00 0.00 0.00 175.10 177.80 1rgh h SER 3 N 5.54 0.44 -0.45 3.32 0.02 -1.19 -3.49 113.55 117.74 1rgh h SER 3 Ca -0.48 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 1rgh h SER 3 Cb 1.20 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1rgh h SER 3 CO 0.66 0.49 0.00 0.61 -1.14 0.00 0.00 176.83 177.45 1rgh n GLY 4 N -0.98 -0.82 3.71 -3.77 0.00 -1.26 -5.06 105.19 97.01 1rgh n GLY 4 Ca 0.01 -1.31 -0.34 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.89 4.39 -0.02 2.61 2.01 -1.26 -0.87 115.64 119.61 1rgh s THR 5 Ca 0.00 -0.42 0.04 0.00 0.31 0.00 0.00 61.69 61.62 1rgh s THR 5 Cb 0.00 -2.93 -0.00 0.00 0.01 0.00 0.00 72.50 69.57 1rgh s THR 5 CO 0.00 0.45 -0.13 0.68 -0.69 0.00 0.00 174.62 174.93 1rgh s VAL 6 N -1.05 1.03 0.43 3.82 -7.23 0.19 -4.90 120.40 112.69 1rgh s VAL 6 Ca 0.18 -0.53 -0.25 0.00 -1.81 0.00 0.00 61.98 59.57 1rgh s VAL 6 Cb -0.12 -0.88 -0.08 0.00 0.56 0.00 0.00 36.38 35.86 1rgh s VAL 6 CO 0.08 0.30 1.33 0.00 -0.31 0.00 0.00 175.10 176.51 1rgh h LEU 8 N 2.47 1.01 -2.43 0.00 5.85 -0.63 -1.10 115.31 120.48 1rgh h LEU 8 Ca -0.50 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1rgh h LEU 8 Cb 1.25 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1rgh h LEU 8 CO 0.62 0.62 0.00 0.77 -0.34 0.00 0.00 178.44 180.10 1rgh h SER 9 N 1.13 0.00 0.05 1.25 4.64 -1.69 -1.97 113.55 116.96 1rgh h SER 9 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1rgh h SER 9 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1rgh h SER 9 CO -0.20 0.00 -0.22 0.00 -0.87 0.00 0.00 176.83 175.54 1rgh n ALA 10 N -2.03 3.00 -2.34 5.18 0.00 -0.42 -4.92 120.51 118.99 1rgh n ALA 10 Ca -0.02 -0.55 -0.20 0.00 0.00 0.00 0.00 53.44 52.66 1rgh n ALA 10 Cb 0.11 -0.96 0.01 0.00 0.00 0.00 0.00 19.45 18.61 1rgh n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rgh s LEU 11 N -2.29 3.77 0.56 0.00 1.43 -0.74 -5.01 118.68 116.40 1rgh s LEU 11 Ca 0.26 -0.02 -0.20 0.00 -1.03 0.00 0.00 54.13 53.14 1rgh s LEU 11 Cb 0.19 -2.90 -0.06 0.00 0.03 0.00 0.00 46.19 43.45 1rgh s LEU 11 CO 0.45 -0.62 0.98 -2.65 0.23 0.00 0.00 176.35 174.74 1rgh n PRO 12 N -1.88 1.03 0.19 1.29 -0.02 -1.26 -4.84 135.00 129.51 1rgh n PRO 12 Ca 0.02 0.39 0.15 0.00 -2.02 0.00 0.00 63.50 62.04 1rgh n PRO 12 Cb 0.58 -2.15 0.78 0.00 -0.02 0.00 0.00 33.50 32.69 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 0.75 0.00 0.00 0.52 0.13 -1.95 -0.66 132.00 130.79 1rgh h PRO 13 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 1rgh h PRO 13 Cb 1.36 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.48 1rgh h PRO 13 CO 0.52 0.00 -0.10 0.93 -0.23 0.00 0.00 178.00 179.12 1rgh h GLU 14 N 0.00 0.00 -0.51 0.86 3.07 -1.88 -1.73 114.58 114.39 1rgh h GLU 14 Ca 0.08 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.85 1rgh h GLU 14 Cb 0.40 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.29 1rgh h GLU 14 CO -0.00 0.10 -0.07 0.00 -1.40 0.00 0.00 179.01 177.63 1rgh h ALA 15 N 1.90 0.91 -0.78 3.43 0.00 -1.45 -1.67 119.26 121.60 1rgh h ALA 15 Ca -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1rgh h ALA 15 Cb 0.29 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1rgh h ALA 15 CO 0.01 0.63 0.42 1.15 0.00 0.00 0.00 179.25 181.47 1rgh h THR 16 N 0.82 1.24 -0.49 0.00 2.02 -1.44 -1.49 112.91 113.58 1rgh h THR 16 Ca 0.14 -0.60 0.01 0.00 0.77 0.00 0.00 66.41 66.73 1rgh h THR 16 Cb 0.59 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1rgh h THR 16 CO 0.04 0.26 0.32 0.44 0.37 0.00 0.00 175.52 176.95 1rgh h ASP 17 N 1.08 0.55 -0.50 4.18 3.32 -1.26 -1.22 116.42 122.58 1rgh h ASP 17 Ca 0.27 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 1rgh h ASP 17 Cb 0.05 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1rgh h ASP 17 CO -0.04 0.40 0.22 0.74 -1.72 0.00 0.00 179.24 178.83 1rgh h THR 18 N 0.66 1.20 -0.68 0.35 2.02 -1.08 -1.45 112.91 113.93 1rgh h THR 18 Ca 0.18 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 66.73 1rgh h THR 18 Cb -0.07 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 1rgh h THR 18 CO -0.04 0.23 0.37 -0.07 0.37 0.00 0.00 175.52 176.38 1rgh h LEU 19 N 0.66 0.85 -0.95 2.58 3.38 -1.01 -0.48 115.31 120.34 1rgh h LEU 19 Ca 0.17 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1rgh h LEU 19 Cb 0.17 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1rgh h LEU 19 CO -0.02 0.69 0.36 0.78 0.09 0.00 0.00 178.44 180.34 1rgh h ASN 20 N 0.95 1.01 -0.31 -0.43 2.35 -0.77 -1.61 115.58 116.77 1rgh h ASN 20 Ca 0.24 -0.12 -0.13 0.00 -0.55 0.00 0.00 56.30 55.74 1rgh h ASN 20 Cb 0.03 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 1rgh h ASN 20 CO -0.04 0.86 -0.27 -0.07 -1.65 0.00 0.00 177.43 176.27 1rgh h LEU 21 N 1.10 0.84 -0.83 1.61 3.38 -0.56 -2.67 115.31 118.19 1rgh h LEU 21 Ca 0.26 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1rgh h LEU 21 Cb 0.13 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1rgh h LEU 21 CO -0.03 1.06 0.39 0.40 0.09 0.00 0.00 178.44 180.35 1rgh h ILE 22 N 0.70 1.26 0.00 1.22 2.04 -0.84 -0.16 117.51 121.74 1rgh h ILE 22 Ca 0.09 -0.74 -0.05 0.00 1.00 0.00 0.00 64.86 65.16 1rgh h ILE 22 Cb 0.80 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1rgh h ILE 22 CO 0.07 0.31 -0.24 0.00 0.00 0.00 0.00 178.15 178.29 1rgh h ALA 23 N 1.21 1.43 -0.18 1.87 0.00 -1.09 -2.14 119.26 120.36 1rgh h ALA 23 Ca 0.28 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1rgh h ALA 23 Cb 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1rgh h ALA 23 CO -0.03 0.30 0.00 -1.13 0.00 0.00 0.00 179.25 178.38 1rgh n SER 24 N -4.00 2.72 -3.62 0.00 3.41 -1.00 -4.96 113.62 106.17 1rgh n SER 24 Ca -0.02 -1.88 -0.22 0.00 -0.26 0.00 0.00 58.87 56.49 1rgh n SER 24 Cb 0.31 -0.11 0.06 0.00 -0.26 0.00 0.00 64.21 64.22 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 1.06 -3.30 0.00 4.04 -0.08 -0.56 -4.75 116.55 112.95 1rgh n ASP 25 Ca 0.17 -0.68 0.00 0.00 -1.51 0.00 0.00 54.79 52.77 1rgh n ASP 25 Cb 0.52 -4.61 0.00 0.00 2.34 0.00 0.00 41.12 39.37 1rgh n ASP 25 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1rgh n GLY 26 N -1.56 -1.78 3.78 0.27 0.00 -0.18 -4.86 105.19 100.86 1rgh n GLY 26 Ca -0.17 -1.77 -0.35 0.00 0.00 0.00 0.00 46.02 43.74 1rgh n GLY 26 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rgh s PRO 27 N 0.00 3.35 0.01 1.61 0.04 -1.26 -4.92 135.00 133.83 1rgh s PRO 27 Ca 0.00 1.55 -0.01 0.00 0.04 0.00 0.00 61.00 62.58 1rgh s PRO 27 Cb 0.00 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 1rgh s PRO 27 CO 0.00 -0.83 0.12 -0.06 0.04 0.00 0.00 177.00 176.26 1rgh s PHE 28 N -1.87 3.36 0.30 0.56 0.08 -1.26 -5.00 117.98 114.16 1rgh s PHE 28 Ca 0.71 0.24 0.12 0.00 0.12 0.00 0.00 56.93 58.12 1rgh s PHE 28 Cb -0.22 -1.75 0.50 0.00 -0.57 0.00 0.00 43.02 40.97 1rgh s PHE 28 CO 0.28 0.58 1.69 -1.00 -0.10 0.00 0.00 175.22 176.67 1rgh h PRO 29 N 3.89 0.00 -6.33 0.24 0.13 -1.99 -3.45 132.00 124.48 1rgh h PRO 29 Ca -0.49 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.97 1rgh h PRO 29 Cb 1.18 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.14 1rgh h PRO 29 CO 0.65 0.52 -0.71 0.71 -0.23 0.00 0.00 178.00 178.94 1rgh s TYR 30 N -3.80 2.85 0.33 1.56 2.02 -1.26 -5.01 117.35 114.03 1rgh s TYR 30 Ca -0.02 -0.07 0.23 0.00 -0.37 0.00 0.00 57.07 56.85 1rgh s TYR 30 Cb 0.13 -1.58 1.15 0.00 -0.40 0.00 0.00 41.96 41.25 1rgh s TYR 30 CO 0.74 0.36 1.95 0.66 -1.57 0.00 0.00 175.55 177.70 1rgh h SER 31 N 4.46 0.00 1.11 2.29 4.64 -2.05 -2.43 113.55 121.58 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 0.53 0.21 0.00 0.00 -0.87 0.00 0.00 176.83 176.70 1rgh n GLN 32 N -3.66 0.16 -1.94 4.77 3.00 -1.26 -4.82 117.38 113.63 1rgh n GLN 32 Ca -0.01 0.21 -0.42 0.00 -0.01 0.00 0.00 57.00 56.76 1rgh n GLN 32 Cb 0.33 -1.71 -0.03 0.00 0.00 0.00 0.00 30.24 28.83 1rgh n GLN 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1rgh s ASP 33 N -3.95 6.61 0.00 1.08 1.01 -0.92 -2.54 116.67 117.97 1rgh s ASP 33 Ca 0.10 2.50 0.00 0.00 0.71 0.00 0.00 52.55 55.86 1rgh s ASP 33 Cb 0.13 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.49 1rgh s ASP 33 CO 0.51 -0.86 0.00 0.61 0.21 0.00 0.00 175.17 175.63 1rgh n GLY 34 N 3.91 0.45 3.78 0.21 0.00 0.45 -5.01 105.19 108.98 1rgh n GLY 34 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.15 3.50 0.23 1.61 -7.23 -1.05 -4.68 120.40 110.62 1rgh s VAL 35 Ca 0.00 0.49 -0.30 0.00 -1.81 0.00 0.00 61.98 60.36 1rgh s VAL 35 Cb 0.00 -3.04 -0.09 0.00 0.56 0.00 0.00 36.38 33.81 1rgh s VAL 35 CO 0.00 -0.64 1.28 -0.69 -0.31 0.00 0.00 175.10 174.74 1rgh s VAL 36 N -2.94 3.20 -0.30 1.32 1.01 -1.26 -1.18 120.40 120.25 1rgh s VAL 36 Ca 0.60 1.04 -0.15 0.00 0.00 0.00 0.00 61.98 63.47 1rgh s VAL 36 Cb -0.16 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1rgh s VAL 36 CO 0.56 0.18 0.36 0.12 0.00 0.00 0.00 175.10 176.31 1rgh s PHE 37 N -0.23 3.23 -0.29 5.22 5.36 -0.07 -4.76 117.98 126.44 1rgh s PHE 37 Ca 0.54 0.24 0.27 0.00 -0.96 0.00 0.00 56.93 57.02 1rgh s PHE 37 Cb -0.36 -2.60 0.74 0.00 -0.34 0.00 0.00 43.02 40.47 1rgh s PHE 37 CO 0.41 -0.30 1.75 1.96 -1.46 0.00 0.00 175.22 177.58 1rgh h GLN 38 N 8.29 0.00 -6.23 10.12 4.20 -1.95 -3.40 115.11 126.14 1rgh h GLN 38 Ca -0.31 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 57.94 1rgh h GLN 38 Cb 1.16 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.93 1rgh h GLN 38 CO 0.65 0.00 -0.79 -1.71 -0.67 0.00 0.00 178.83 176.31 1rgh n ASN 39 N -2.99 -3.22 0.05 1.46 5.15 -1.26 -4.86 115.26 109.60 1rgh n ASN 39 Ca 0.03 -0.81 0.02 0.00 -0.60 0.00 0.00 54.58 53.22 1rgh n ASN 39 Cb 0.43 -3.91 0.37 0.00 -0.53 0.00 0.00 39.78 36.14 1rgh n ASN 39 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 1rgh h ARG 40 N -2.00 0.41 -0.12 1.20 2.43 -2.00 -1.75 114.38 112.56 1rgh h ARG 40 Ca -0.59 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.50 1rgh h ARG 40 Cb 1.37 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 1rgh h ARG 40 CO 0.63 0.43 0.00 0.39 -1.51 0.00 0.00 179.97 179.91 1rgh n GLU 41 N -4.33 1.66 -3.57 0.20 4.71 -1.26 -4.94 120.64 113.10 1rgh n GLU 41 Ca 0.01 -0.98 -0.26 0.00 -0.01 0.00 0.00 57.16 55.92 1rgh n GLU 41 Cb 0.21 -1.41 0.04 0.00 -1.01 0.00 0.00 31.44 29.27 1rgh n GLU 41 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1rgh n SER 42 N 0.19 -5.57 0.08 1.62 7.64 -0.66 -4.89 113.62 112.04 1rgh n SER 42 Ca 0.17 -0.56 -0.18 0.00 1.01 0.00 0.00 58.87 59.31 1rgh n SER 42 Cb 0.32 -4.44 -0.10 0.00 -1.01 0.00 0.00 64.21 58.98 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 -2.07 1.36 -3.07 0.44 2.07 -1.92 -3.40 116.25 109.66 1rgh h VAL 43 Ca -0.55 -2.54 -0.46 0.00 0.82 0.00 0.00 66.70 63.97 1rgh h VAL 43 Cb 1.36 2.60 0.05 0.00 -1.52 0.00 0.00 31.29 33.78 1rgh h VAL 43 CO 0.60 0.76 0.03 -0.76 0.02 0.00 0.00 177.57 178.22 1rgh s LEU 44 N -7.72 3.37 0.36 2.57 1.43 -1.26 -0.44 118.68 116.99 1rgh s LEU 44 Ca -0.07 0.37 -0.27 0.00 -1.03 0.00 0.00 54.13 53.12 1rgh s LEU 44 Cb 0.07 -3.21 -0.12 0.00 0.03 0.00 0.00 46.19 42.96 1rgh s LEU 44 CO 0.90 -0.98 1.25 -2.65 0.23 0.00 0.00 176.35 175.09 1rgh n PRO 45 N -2.36 1.99 -1.88 1.29 -0.02 -1.26 -4.88 135.00 127.87 1rgh n PRO 45 Ca 0.04 0.70 -0.42 0.00 -2.02 0.00 0.00 63.50 61.80 1rgh n PRO 45 Cb 0.58 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 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 -1.12 2.54 0.20 3.45 2.01 -1.26 -4.99 115.64 116.47 1rgh s THR 46 Ca 0.57 0.34 -0.07 0.00 0.31 0.00 0.00 61.69 62.84 1rgh s THR 46 Cb -0.57 -3.22 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 1rgh s THR 46 CO 0.61 0.02 0.27 -1.10 -0.69 0.00 0.00 174.62 173.74 1rgh s GLN 47 N 1.41 1.27 0.86 4.92 -1.52 -1.26 -5.15 119.66 120.19 1rgh s GLN 47 Ca 0.72 -1.37 -0.12 0.00 -1.95 0.00 0.00 55.36 52.64 1rgh s GLN 47 Cb -0.45 0.36 0.09 0.00 -0.22 0.00 0.00 33.01 32.80 1rgh s GLN 47 CO 0.32 -0.47 1.05 -1.13 -0.25 0.00 0.00 175.29 174.82 1rgh n SER 48 N -0.27 0.32 -4.69 5.90 3.41 -1.26 -4.91 113.62 112.11 1rgh n SER 48 Ca -0.02 0.50 -0.42 0.00 -0.26 0.00 0.00 58.87 58.67 1rgh n SER 48 Cb 0.64 -1.45 -0.03 0.00 -0.26 0.00 0.00 64.21 63.11 1rgh n SER 48 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1rgh s TYR 49 N -2.31 2.11 0.00 7.33 5.04 -1.26 -1.95 117.35 126.30 1rgh s TYR 49 Ca 0.69 0.01 0.00 0.00 -2.44 0.00 0.00 57.07 55.33 1rgh s TYR 49 Cb -0.27 -4.13 0.00 0.00 0.35 0.00 0.00 41.96 37.91 1rgh s TYR 49 CO 0.55 -4.69 0.00 0.41 -1.34 0.00 0.00 175.55 170.49 1rgh n GLY 50 N 4.21 0.19 0.30 8.97 0.00 -1.26 -4.95 105.19 112.66 1rgh n GLY 50 Ca 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 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 1.04 -3.09 1.61 5.03 -1.73 -3.44 116.97 116.40 1rgh h TYR 51 Ca 0.00 -0.16 -0.67 0.00 2.58 0.00 0.00 58.73 60.49 1rgh h TYR 51 Cb 0.00 -0.28 -0.11 0.00 1.55 0.00 0.00 36.73 37.89 1rgh h TYR 51 CO 0.00 0.92 -0.57 0.71 -1.32 0.00 0.00 178.16 177.89 1rgh s TYR 52 N -5.06 3.31 0.08 -3.82 2.02 -1.26 -2.75 117.35 109.87 1rgh s TYR 52 Ca -0.11 0.28 0.03 0.00 -0.37 0.00 0.00 57.07 56.90 1rgh s TYR 52 Cb 0.14 -1.81 -0.03 0.00 -0.40 0.00 0.00 41.96 39.86 1rgh s TYR 52 CO 0.84 0.56 -0.09 -1.01 -1.57 0.00 0.00 175.55 174.27 1rgh s HIS 53 N -1.02 0.95 0.02 2.71 3.76 -0.83 -0.90 115.29 119.98 1rgh s HIS 53 Ca 0.17 -0.63 0.07 0.00 -0.15 0.00 0.00 55.06 54.52 1rgh s HIS 53 Cb -0.12 -0.53 -0.03 0.00 1.11 0.00 0.00 32.58 33.01 1rgh s HIS 53 CO 0.07 -0.04 -0.21 -1.83 -0.85 0.00 0.00 174.74 171.88 1rgh s GLU 54 N -2.51 2.05 0.01 1.40 -1.05 -0.32 -1.03 118.70 117.24 1rgh s GLU 54 Ca 0.01 -0.98 0.01 0.00 -0.15 0.00 0.00 54.97 53.86 1rgh s GLU 54 Cb -0.04 -2.14 -0.01 0.00 -0.44 0.00 0.00 34.13 31.50 1rgh s GLU 54 CO -0.00 0.54 -0.03 0.71 0.95 0.00 0.00 175.26 177.43 1rgh s TYR 55 N -0.83 0.25 0.29 4.83 1.51 -0.11 -0.41 117.35 122.86 1rgh s TYR 55 Ca 0.13 -0.18 -0.29 0.00 -1.01 0.00 0.00 57.07 55.71 1rgh s TYR 55 Cb -0.10 -0.16 -0.10 0.00 -0.11 0.00 0.00 41.96 41.49 1rgh s TYR 55 CO 0.03 -0.05 1.11 0.99 -1.11 0.00 0.00 175.55 176.52 1rgh s THR 56 N -0.47 3.46 -0.32 -0.71 2.01 -1.26 -0.98 115.64 117.37 1rgh s THR 56 Ca -0.04 1.46 -0.08 0.00 0.31 0.00 0.00 61.69 63.34 1rgh s THR 56 Cb -0.04 -3.92 0.01 0.00 0.01 0.00 0.00 72.50 68.56 1rgh s THR 56 CO -0.00 0.34 0.12 -0.69 -0.69 0.00 0.00 174.62 173.70 1rgh s VAL 57 N -1.18 4.25 0.39 3.82 1.01 -0.80 -4.78 120.40 123.12 1rgh s VAL 57 Ca 0.45 -0.67 -0.27 0.00 0.00 0.00 0.00 61.98 61.50 1rgh s VAL 57 Cb -0.32 -3.23 -0.09 0.00 0.00 0.00 0.00 36.38 32.74 1rgh s VAL 57 CO 0.41 0.01 1.38 -0.63 0.00 0.00 0.00 175.10 176.26 1rgh s ILE 58 N 1.54 2.37 -0.34 2.22 1.01 -1.26 -4.38 121.20 122.36 1rgh s ILE 58 Ca 0.03 0.35 -0.13 0.00 0.00 0.00 0.00 60.65 60.91 1rgh s ILE 58 Cb -0.18 -3.22 -0.02 0.00 0.01 0.00 0.00 42.46 39.06 1rgh s ILE 58 CO 0.04 0.07 0.23 -0.89 0.00 0.00 0.00 174.94 174.39 1rgh s THR 59 N -1.19 5.22 0.28 2.92 2.01 -1.26 -4.82 115.64 118.79 1rgh s THR 59 Ca 0.55 -0.24 -0.30 0.00 0.31 0.00 0.00 61.69 62.01 1rgh s THR 59 Cb -0.42 -3.68 -0.12 0.00 0.01 0.00 0.00 72.50 68.29 1rgh s THR 59 CO 0.55 -0.00 1.52 -2.65 -0.69 0.00 0.00 174.62 173.35 1rgh n PRO 60 N 5.09 2.45 0.00 4.92 -0.02 -1.26 -1.93 135.00 144.26 1rgh n PRO 60 Ca -0.13 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1rgh n PRO 60 Cb 0.50 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 1rgh n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rgh n GLY 61 N 2.13 2.56 3.77 -1.23 0.00 -1.26 -5.02 105.19 106.14 1rgh n GLY 61 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.33 3.24 -0.30 4.61 0.00 -0.81 -4.92 121.76 121.25 1rgh s ALA 62 Ca 0.00 0.90 0.20 0.00 0.00 0.00 0.00 51.96 53.06 1rgh s ALA 62 Cb 0.00 -3.34 0.16 0.00 0.00 0.00 0.00 23.12 19.93 1rgh s ALA 62 CO 0.00 -0.34 1.38 0.00 0.00 0.00 0.00 175.76 176.81 1rgh h ARG 63 N 3.05 0.00 0.00 0.00 3.08 -1.95 -3.47 114.38 115.08 1rgh h ARG 63 Ca -0.48 0.00 -0.40 0.00 0.07 0.00 0.00 59.98 59.17 1rgh h ARG 63 Cb 1.22 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.24 1rgh h ARG 63 CO 0.64 0.16 -0.20 0.25 -1.07 0.00 0.00 179.97 179.76 1rgh n THR 64 N -3.03 0.00 0.30 2.04 -2.24 -1.26 -5.01 114.28 105.08 1rgh n THR 64 Ca 0.01 -1.50 0.19 0.00 -2.27 0.00 0.00 64.05 60.49 1rgh n THR 64 Cb 0.62 -0.15 0.91 0.00 -2.10 0.00 0.00 70.33 69.61 1rgh n THR 64 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1rgh h ARG 65 N 0.00 0.00 0.00 -0.78 3.08 -1.99 -3.46 114.38 111.22 1rgh h ARG 65 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1rgh h ARG 65 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.92 1rgh h ARG 65 CO 0.38 0.01 0.00 0.41 -1.07 0.00 0.00 179.97 179.70 1rgh n GLY 66 N -0.48 -0.53 0.24 0.04 0.00 -1.26 -4.46 105.19 98.74 1rgh n GLY 66 Ca -0.01 -1.11 0.04 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 0.00 -3.81 2.61 -2.24 -1.26 -4.96 114.28 104.62 1rgh n THR 67 Ca 0.00 -0.46 -0.36 0.00 -2.27 0.00 0.00 64.05 60.96 1rgh n THR 67 Cb 0.00 1.12 -0.07 0.00 -2.10 0.00 0.00 70.33 69.29 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 -0.88 3.76 0.08 -0.78 0.52 -1.26 -1.29 118.95 119.10 1rgh s ARG 68 Ca 0.08 -0.15 -0.09 0.00 -0.52 0.00 0.00 55.73 55.04 1rgh s ARG 68 Cb 0.06 -3.29 0.00 0.00 0.52 0.00 0.00 34.95 32.25 1rgh s ARG 68 CO 0.14 0.58 0.20 1.03 0.02 0.00 0.00 175.30 177.27 1rgh s ARG 69 N -0.44 0.82 -0.09 3.54 1.81 -0.23 -1.90 118.95 122.46 1rgh s ARG 69 Ca 0.12 -0.88 0.03 0.00 -1.72 0.00 0.00 55.73 53.29 1rgh s ARG 69 Cb -0.12 0.34 -0.01 0.00 -0.45 0.00 0.00 34.95 34.71 1rgh s ARG 69 CO 0.02 -0.26 -0.19 0.42 -0.68 0.00 0.00 175.30 174.60 1rgh s ILE 70 N -3.59 2.51 -0.24 1.52 1.01 -0.15 -1.58 121.20 120.68 1rgh s ILE 70 Ca 0.03 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.73 1rgh s ILE 70 Cb 0.04 -1.99 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 1rgh s ILE 70 CO -0.10 0.55 0.06 -0.63 0.00 0.00 0.00 174.94 174.83 1rgh s ILE 71 N 0.10 4.28 0.17 2.92 -1.09 0.10 -0.94 121.20 126.74 1rgh s ILE 71 Ca -0.09 -0.19 -0.10 0.00 -2.23 0.00 0.00 60.65 58.05 1rgh s ILE 71 Cb -0.15 -2.99 -0.07 0.00 -1.58 0.00 0.00 42.46 37.67 1rgh s ILE 71 CO 0.06 0.36 0.49 0.42 -1.23 0.00 0.00 174.94 175.03 1rgh s THR 72 N 1.49 4.99 0.41 2.92 -4.23 -0.20 -0.59 115.64 120.42 1rgh s THR 72 Ca 0.06 0.46 0.08 0.00 -1.18 0.00 0.00 61.69 61.10 1rgh s THR 72 Cb -0.15 -3.65 -0.02 0.00 1.34 0.00 0.00 72.50 70.02 1rgh s THR 72 CO 0.03 0.07 0.35 -0.83 -0.54 0.00 0.00 174.62 173.70 1rgh s GLY 73 N -2.14 2.12 0.37 3.99 0.00 -0.28 -1.97 107.32 109.40 1rgh s GLY 73 Ca 0.42 -1.89 0.26 0.00 0.00 0.00 0.00 44.72 43.51 1rgh s GLY 73 CO 0.21 -1.71 1.75 0.83 0.00 0.00 0.00 173.10 174.18 1rgh h GLU 74 N 1.10 0.00 -7.23 2.90 4.39 -1.80 -3.42 114.58 110.51 1rgh h GLU 74 Ca -0.42 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 58.79 1rgh h GLU 74 Cb 1.26 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 29.97 1rgh h GLU 74 CO 0.59 0.00 0.38 0.00 -1.16 0.00 0.00 179.01 178.82 1rgh s ALA 75 N -3.29 2.82 0.10 3.43 0.00 -1.26 -4.95 121.76 118.61 1rgh s ALA 75 Ca 0.06 0.27 -0.34 0.00 0.00 0.00 0.00 51.96 51.96 1rgh s ALA 75 Cb 0.08 -3.19 -0.13 0.00 0.00 0.00 0.00 23.12 19.88 1rgh s ALA 75 CO 0.58 -0.75 1.65 2.41 0.00 0.00 0.00 175.76 179.65 1rgh n THR 76 N -2.15 0.14 -1.36 0.00 -1.04 -1.26 -1.93 114.28 106.68 1rgh n THR 76 Ca 0.08 -0.03 -0.12 0.00 -2.04 0.00 0.00 64.05 61.94 1rgh n THR 76 Cb 0.53 -1.62 -0.05 0.00 -1.82 0.00 0.00 70.33 67.37 1rgh n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1rgh n GLN 77 N 4.20 -1.13 -3.11 -2.82 1.13 -1.26 -4.94 117.38 109.44 1rgh n GLN 77 Ca 0.18 0.91 -0.45 0.00 -1.94 0.00 0.00 57.00 55.71 1rgh n GLN 77 Cb 0.29 -5.05 -0.04 0.00 0.11 0.00 0.00 30.24 25.55 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 -2.96 3.20 -0.02 -1.09 2.12 -0.81 -4.86 118.70 114.28 1rgh s GLU 78 Ca 0.00 -1.55 0.00 0.00 0.36 0.00 0.00 54.97 53.79 1rgh s GLU 78 Cb 0.00 -4.38 0.02 0.00 0.26 0.00 0.00 34.13 30.02 1rgh s GLU 78 CO 0.00 -1.54 0.00 -0.51 -0.54 0.00 0.00 175.26 172.67 1rgh s ASP 79 N 3.43 0.23 -0.04 -1.70 1.01 -1.26 -1.13 116.67 117.21 1rgh s ASP 79 Ca 0.15 -0.01 0.07 0.00 0.71 0.00 0.00 52.55 53.47 1rgh s ASP 79 Cb -0.19 -0.10 -0.02 0.00 1.01 0.00 0.00 42.92 43.62 1rgh s ASP 79 CO 0.02 -0.06 -0.24 -0.31 0.21 0.00 0.00 175.17 174.79 1rgh s TYR 80 N 0.60 2.42 -0.11 4.23 2.02 0.24 -0.84 117.35 125.92 1rgh s TYR 80 Ca -0.06 -0.51 -0.05 0.00 -0.37 0.00 0.00 57.07 56.09 1rgh s TYR 80 Cb -0.08 -1.56 -0.04 0.00 -0.40 0.00 0.00 41.96 39.88 1rgh s TYR 80 CO -0.01 -0.08 0.07 -0.47 -1.57 0.00 0.00 175.55 173.49 1rgh s TYR 81 N -0.45 3.38 -0.04 2.71 5.04 0.46 -0.72 117.35 127.72 1rgh s TYR 81 Ca 0.05 0.35 0.03 0.00 -2.44 0.00 0.00 57.07 55.07 1rgh s TYR 81 Cb -0.11 -1.88 0.00 0.00 0.35 0.00 0.00 41.96 40.32 1rgh s TYR 81 CO 0.01 0.58 -0.14 -0.08 -1.34 0.00 0.00 175.55 174.58 1rgh s THR 82 N -0.88 1.16 -0.82 4.34 -1.32 -0.62 -1.33 115.64 116.17 1rgh s THR 82 Ca 0.14 -0.56 0.09 0.00 -1.21 0.00 0.00 61.69 60.14 1rgh s THR 82 Cb -0.12 -1.01 0.21 0.00 -1.51 0.00 0.00 72.50 70.08 1rgh s THR 82 CO 0.03 0.34 1.12 0.61 -2.21 0.00 0.00 174.62 174.52 1rgh n GLY 83 N 3.25 2.15 1.66 6.08 0.00 -1.26 -1.07 105.19 116.00 1rgh n GLY 83 Ca -0.18 -0.29 -0.04 0.00 0.00 0.00 0.00 46.02 45.51 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 0.36 2.34 -3.46 1.61 5.68 -1.20 -4.48 116.55 117.40 1rgh n ASP 84 Ca 0.09 -3.01 -0.18 0.00 -0.50 0.00 0.00 54.79 51.18 1rgh n ASP 84 Cb 0.36 -0.42 0.07 0.00 -1.14 0.00 0.00 41.12 40.00 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 -0.52 -2.18 -0.86 2.11 -0.00 -0.41 -3.05 115.22 110.32 1rgh n HIS 85 Ca 0.20 0.88 0.00 0.00 -0.00 0.00 0.00 57.72 58.80 1rgh n HIS 85 Cb 0.90 -4.65 0.00 0.00 -0.00 0.00 0.00 29.99 26.24 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 -3.96 0.00 -0.01 1.57 4.01 -1.26 -4.93 117.16 112.57 1rgh n TYR 86 Ca -0.23 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.34 1rgh n TYR 86 Cb 0.66 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.57 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 0.03 -2.74 -0.72 0.00 -1.95 -3.47 119.26 110.41 1rgh h ALA 87 Ca 0.00 -0.52 -0.31 0.00 0.00 0.00 0.00 54.91 54.09 1rgh h ALA 87 Cb 0.00 0.03 -0.18 0.00 0.00 0.00 0.00 17.79 17.64 1rgh h ALA 87 CO 0.00 0.18 -0.73 0.95 0.00 0.00 0.00 179.25 179.65 1rgh s THR 88 N -3.05 0.87 0.03 0.00 -4.23 -1.26 -5.06 115.64 102.94 1rgh s THR 88 Ca -0.15 -1.60 0.01 0.00 -1.18 0.00 0.00 61.69 58.77 1rgh s THR 88 Cb 0.01 -1.30 -0.02 0.00 1.34 0.00 0.00 72.50 72.53 1rgh s THR 88 CO 0.77 -0.57 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.88 1rgh s PHE 89 N -2.43 0.41 0.05 3.99 0.40 -1.26 -4.36 117.98 114.78 1rgh s PHE 89 Ca 0.04 -0.51 0.06 0.00 -0.60 0.00 0.00 56.93 55.92 1rgh s PHE 89 Cb -0.03 -0.27 -0.02 0.00 0.51 0.00 0.00 43.02 43.21 1rgh s PHE 89 CO -0.00 -0.15 -0.17 -1.12 0.70 0.00 0.00 175.22 174.48 1rgh s SER 90 N -1.48 1.98 0.20 1.36 0.01 -0.44 -0.50 113.70 114.82 1rgh s SER 90 Ca -0.14 -0.50 -0.30 0.00 1.31 0.00 0.00 55.95 56.32 1rgh s SER 90 Cb -0.10 -0.14 -0.08 0.00 0.21 0.00 0.00 66.02 65.92 1rgh s SER 90 CO -0.00 0.07 0.96 -0.76 0.41 0.00 0.00 173.24 173.91 1rgh s LEU 91 N -1.24 4.60 -0.09 2.44 1.43 -0.05 -0.40 118.68 125.36 1rgh s LEU 91 Ca 0.04 1.92 -0.20 0.00 -1.03 0.00 0.00 54.13 54.86 1rgh s LEU 91 Cb -0.08 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 1rgh s LEU 91 CO 0.02 0.07 0.54 -0.63 0.23 0.00 0.00 176.35 176.57 1rgh s ILE 92 N -0.80 5.12 -0.43 -0.59 1.01 -0.02 -0.64 121.20 124.86 1rgh s ILE 92 Ca 0.43 1.09 -0.11 0.00 0.00 0.00 0.00 60.65 62.06 1rgh s ILE 92 Cb -0.26 -3.88 0.07 0.00 0.01 0.00 0.00 42.46 38.41 1rgh s ILE 92 CO 0.32 0.33 0.29 -0.62 0.00 0.00 0.00 174.94 175.25 1rgh s ASP 93 N 0.51 5.79 0.00 3.58 -1.08 -0.05 -4.70 116.67 120.71 1rgh s ASP 93 Ca 0.29 -1.38 0.20 0.00 -0.52 0.00 0.00 52.55 51.14 1rgh s ASP 93 Cb -0.16 -2.04 0.94 0.00 -1.46 0.00 0.00 42.92 40.20 1rgh s ASP 93 CO 0.13 -0.54 1.63 0.00 0.52 0.00 0.00 175.17 176.91 1rgh n GLN 94 N 5.00 0.17 0.00 4.34 6.02 -1.26 -0.93 117.38 130.72 1rgh n GLN 94 Ca -0.11 0.12 0.14 0.00 -0.01 0.00 0.00 57.00 57.14 1rgh n GLN 94 Cb 0.44 -1.50 0.50 0.00 1.02 0.00 0.00 30.24 30.69 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 -1.38 0.00 -1.26 5.09 -2.24 -1.26 -4.89 114.28 108.34 1rgh n THR 95 Ca 0.08 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1rgh n THR 95 Cb 0.19 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1rgh n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50