#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gmr s VAL 2 N 0.00 5.11 0.29 2.53 1.01 -1.26 -4.57 120.40 123.51 1gmr s VAL 2 Ca 0.00 0.83 0.19 0.00 0.00 0.00 0.00 61.98 62.99 1gmr s VAL 2 Cb 0.00 -3.73 0.15 0.00 0.00 0.00 0.00 36.38 32.80 1gmr s VAL 2 CO 0.00 0.48 1.83 0.28 0.00 0.00 0.00 175.10 177.70 1gmr h SER 3 N 5.52 0.00 -0.49 3.32 0.02 -0.71 -3.49 113.55 117.72 1gmr h SER 3 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1gmr h SER 3 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1gmr h SER 3 CO 0.67 0.32 0.00 0.61 -1.14 0.00 0.00 176.83 177.30 1gmr n GLY 4 N -0.19 -1.28 3.74 -3.77 0.00 -1.26 -5.04 105.19 97.40 1gmr n GLY 4 Ca -0.01 -1.33 -0.36 0.00 0.00 0.00 0.00 46.02 44.33 1gmr n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gmr s THR 5 N -2.75 4.90 0.01 2.61 2.01 -1.26 -0.02 115.64 121.15 1gmr s THR 5 Ca 0.00 -0.01 0.05 0.00 0.31 0.00 0.00 61.69 62.03 1gmr s THR 5 Cb 0.00 -3.13 -0.02 0.00 0.01 0.00 0.00 72.50 69.36 1gmr s THR 5 CO 0.00 0.57 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.67 1gmr s VAL 6 N -0.56 1.12 0.34 3.82 1.01 0.16 -4.88 120.40 121.41 1gmr s VAL 6 Ca 0.11 -0.79 -0.28 0.00 0.00 0.00 0.00 61.98 61.02 1gmr s VAL 6 Cb -0.12 -0.97 -0.10 0.00 0.00 0.00 0.00 36.38 35.20 1gmr s VAL 6 CO 0.02 0.17 1.24 0.00 0.00 0.00 0.00 175.10 176.53 1gmr h LEU 8 N 3.27 0.73 -2.58 0.00 5.85 -0.47 -0.93 115.31 121.17 1gmr h LEU 8 Ca -0.48 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.23 1gmr h LEU 8 Cb 1.23 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 1gmr h LEU 8 CO 0.65 0.48 -0.01 0.77 -0.34 0.00 0.00 178.44 179.98 1gmr h SER 9 N 0.83 0.00 0.22 1.25 4.64 -1.68 -1.72 113.55 117.10 1gmr h SER 9 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1gmr h SER 9 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1gmr h SER 9 CO -0.10 0.01 -0.31 0.00 -0.87 0.00 0.00 176.83 175.56 1gmr n ALA 10 N -2.16 3.20 -2.21 5.18 0.00 -0.36 -4.91 120.51 119.25 1gmr n ALA 10 Ca -0.02 -0.43 -0.21 0.00 0.00 0.00 0.00 53.44 52.78 1gmr n ALA 10 Cb 0.12 -1.09 0.01 0.00 0.00 0.00 0.00 19.45 18.50 1gmr n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1gmr s LEU 11 N -2.55 3.62 0.59 0.00 1.43 -0.65 -5.00 118.68 116.12 1gmr s LEU 11 Ca 0.22 -0.01 -0.20 0.00 -1.03 0.00 0.00 54.13 53.11 1gmr s LEU 11 Cb 0.19 -2.91 -0.03 0.00 0.03 0.00 0.00 46.19 43.47 1gmr s LEU 11 CO 0.55 -0.78 1.30 -2.65 0.23 0.00 0.00 176.35 175.00 1gmr n PRO 12 N -2.02 1.39 0.27 1.29 -0.02 -1.26 -4.86 135.00 129.79 1gmr n PRO 12 Ca 0.04 0.52 0.13 0.00 -2.02 0.00 0.00 63.50 62.18 1gmr n PRO 12 Cb 0.59 -2.53 0.82 0.00 -0.02 0.00 0.00 33.50 32.36 1gmr n PRO 12 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1gmr h PRO 13 N 0.98 0.00 0.00 0.52 0.13 -1.94 0.42 132.00 132.10 1gmr h PRO 13 Ca -0.51 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 1gmr h PRO 13 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 1gmr h PRO 13 CO 0.55 0.00 -0.08 0.93 -0.23 0.00 0.00 178.00 179.17 1gmr h GLU 14 N 0.00 0.00 -0.79 0.86 3.07 -1.89 -1.60 114.58 114.23 1gmr h GLU 14 Ca 0.01 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.83 1gmr h GLU 14 Cb 0.07 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.95 1gmr h GLU 14 CO -0.00 0.08 0.33 0.00 -1.40 0.00 0.00 179.01 178.01 1gmr h ALA 15 N 1.92 1.02 -0.45 3.43 0.00 -1.25 -1.82 119.26 122.12 1gmr h ALA 15 Ca -0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1gmr h ALA 15 Cb 0.21 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1gmr h ALA 15 CO 0.01 0.64 0.25 1.15 0.00 0.00 0.00 179.25 181.31 1gmr h THR 16 N 1.14 1.16 -0.51 0.00 2.02 -1.41 -0.66 112.91 114.65 1gmr h THR 16 Ca 0.26 -0.39 0.03 0.00 0.77 0.00 0.00 66.41 67.08 1gmr h THR 16 Cb 0.20 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 1gmr h THR 16 CO -0.02 0.16 0.29 0.44 0.37 0.00 0.00 175.52 176.76 1gmr h ASP 17 N 0.60 0.45 -0.23 4.18 3.32 -1.01 -1.03 116.42 122.70 1gmr h ASP 17 Ca 0.16 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.23 1gmr h ASP 17 Cb 0.04 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1gmr h ASP 17 CO -0.03 0.31 0.14 0.74 -1.72 0.00 0.00 179.24 178.69 1gmr h THR 18 N 0.57 1.04 -0.55 0.35 2.02 -1.11 -1.68 112.91 113.55 1gmr h THR 18 Ca 0.21 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.26 1gmr h THR 18 Cb 0.06 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 1gmr h THR 18 CO -0.12 0.05 0.23 -0.07 0.37 0.00 0.00 175.52 175.99 1gmr h LEU 19 N 0.30 0.71 -0.85 2.58 3.38 -0.81 0.30 115.31 120.92 1gmr h LEU 19 Ca 0.09 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1gmr h LEU 19 Cb -0.02 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 1gmr h LEU 19 CO -0.03 0.63 0.46 0.78 0.09 0.00 0.00 178.44 180.37 1gmr h ASN 20 N 0.78 1.07 -0.42 -0.43 2.35 -0.73 -0.95 115.58 117.25 1gmr h ASN 20 Ca 0.19 -0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.77 1gmr h ASN 20 Cb 0.13 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 1gmr h ASN 20 CO -0.02 0.87 0.01 -0.07 -1.65 0.00 0.00 177.43 176.57 1gmr h LEU 21 N 1.19 0.71 -0.72 1.61 3.38 -0.66 -2.68 115.31 118.15 1gmr h LEU 21 Ca 0.30 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1gmr h LEU 21 Cb 0.04 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1gmr h LEU 21 CO -0.05 0.84 0.35 0.40 0.09 0.00 0.00 178.44 180.07 1gmr h ILE 22 N 0.57 1.23 -0.41 1.22 2.04 -0.48 0.66 117.51 122.35 1gmr h ILE 22 Ca 0.12 -0.65 0.01 0.00 1.00 0.00 0.00 64.86 65.34 1gmr h ILE 22 Cb 0.47 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1gmr h ILE 22 CO 0.02 0.27 0.27 0.00 0.00 0.00 0.00 178.15 178.72 1gmr h ALA 23 N 1.17 1.75 -0.28 1.87 0.00 -0.92 -2.09 119.26 120.75 1gmr h ALA 23 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1gmr h ALA 23 Cb 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1gmr h ALA 23 CO -0.03 0.22 0.00 -1.13 0.00 0.00 0.00 179.25 178.31 1gmr n SER 24 N -4.48 3.28 -2.80 0.00 3.41 -0.94 -4.94 113.62 107.16 1gmr n SER 24 Ca 0.04 -1.97 -0.16 0.00 -0.26 0.00 0.00 58.87 56.52 1gmr n SER 24 Cb 0.09 -0.18 0.06 0.00 -0.26 0.00 0.00 64.21 63.92 1gmr n SER 24 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1gmr n ASP 25 N 1.40 -3.95 0.00 4.04 8.00 0.33 -4.76 116.55 121.61 1gmr n ASP 25 Ca 0.17 -0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.25 1gmr n ASP 25 Cb 0.59 -3.89 0.00 0.00 -0.02 0.00 0.00 41.12 37.79 1gmr n ASP 25 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gmr n GLY 26 N -1.41 -1.80 3.78 0.44 0.00 0.21 -4.85 105.19 101.55 1gmr n GLY 26 Ca -0.08 -1.63 -0.33 0.00 0.00 0.00 0.00 46.02 43.97 1gmr n GLY 26 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gmr s PRO 27 N 0.00 3.03 0.07 1.61 0.04 -1.26 -4.91 135.00 133.59 1gmr s PRO 27 Ca 0.00 1.36 0.03 0.00 0.04 0.00 0.00 61.00 62.43 1gmr s PRO 27 Cb 0.00 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1gmr s PRO 27 CO 0.00 -1.06 0.04 -0.06 0.04 0.00 0.00 177.00 175.96 1gmr s PHE 28 N -2.31 3.11 0.41 0.56 0.08 -1.26 -4.97 117.98 113.60 1gmr s PHE 28 Ca 0.67 0.05 0.11 0.00 0.12 0.00 0.00 56.93 57.87 1gmr s PHE 28 Cb -0.19 -1.60 0.85 0.00 -0.57 0.00 0.00 43.02 41.51 1gmr s PHE 28 CO 0.38 0.50 1.95 -1.00 -0.10 0.00 0.00 175.22 176.95 1gmr h PRO 29 N 3.50 0.19 -6.76 0.24 0.13 -1.99 -3.44 132.00 123.87 1gmr h PRO 29 Ca -0.47 -0.04 -0.69 0.00 -0.87 0.00 0.00 66.00 63.92 1gmr h PRO 29 Cb 1.17 -0.03 -0.25 0.00 0.13 0.00 0.00 31.00 32.02 1gmr h PRO 29 CO 0.62 0.32 -0.87 0.71 -0.23 0.00 0.00 178.00 178.56 1gmr s TYR 30 N -4.75 2.35 0.42 1.56 2.02 -1.26 -5.03 117.35 112.67 1gmr s TYR 30 Ca -0.05 -0.38 0.16 0.00 -0.37 0.00 0.00 57.07 56.42 1gmr s TYR 30 Cb 0.16 -1.37 1.00 0.00 -0.40 0.00 0.00 41.96 41.35 1gmr s TYR 30 CO 0.72 0.19 1.96 0.66 -1.57 0.00 0.00 175.55 177.52 1gmr h SER 31 N 4.54 0.00 0.68 2.29 4.64 -2.04 -2.23 113.55 121.43 1gmr h SER 31 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1gmr h SER 31 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1gmr h SER 31 CO 0.43 0.22 0.00 0.00 -0.87 0.00 0.00 176.83 176.61 1gmr n GLN 32 N -4.17 0.04 -2.14 4.77 3.00 -1.26 -4.77 117.38 112.85 1gmr n GLN 32 Ca -0.02 0.22 -0.42 0.00 -0.01 0.00 0.00 57.00 56.77 1gmr n GLN 32 Cb 0.28 -1.57 -0.03 0.00 0.00 0.00 0.00 30.24 28.93 1gmr n GLN 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1gmr s ASP 33 N -3.25 6.78 0.00 1.08 1.01 -0.84 -2.34 116.67 119.11 1gmr s ASP 33 Ca 0.08 2.22 0.00 0.00 0.71 0.00 0.00 52.55 55.56 1gmr s ASP 33 Cb 0.12 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.48 1gmr s ASP 33 CO 0.35 -0.77 0.00 0.61 0.21 0.00 0.00 175.17 175.57 1gmr n GLY 34 N 3.75 0.48 3.78 0.21 0.00 0.16 -5.00 105.19 108.56 1gmr n GLY 34 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1gmr n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1gmr s VAL 35 N -2.00 3.47 0.24 1.61 -7.23 -0.99 -4.70 120.40 110.81 1gmr s VAL 35 Ca 0.00 0.48 -0.30 0.00 -1.81 0.00 0.00 61.98 60.35 1gmr s VAL 35 Cb 0.00 -3.05 -0.09 0.00 0.56 0.00 0.00 36.38 33.80 1gmr s VAL 35 CO 0.00 -0.62 1.34 -0.69 -0.31 0.00 0.00 175.10 174.81 1gmr s VAL 36 N -2.96 2.96 -0.27 1.32 1.01 -1.26 -1.20 120.40 120.01 1gmr s VAL 36 Ca 0.60 0.83 -0.11 0.00 0.00 0.00 0.00 61.98 63.31 1gmr s VAL 36 Cb -0.16 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 1gmr s VAL 36 CO 0.56 0.14 0.20 0.12 0.00 0.00 0.00 175.10 176.12 1gmr s PHE 37 N -0.22 3.24 -0.27 5.22 5.36 -0.56 -4.74 117.98 126.01 1gmr s PHE 37 Ca 0.55 0.15 0.28 0.00 -0.96 0.00 0.00 56.93 56.95 1gmr s PHE 37 Cb -0.38 -2.38 0.88 0.00 -0.34 0.00 0.00 43.02 40.80 1gmr s PHE 37 CO 0.43 -0.13 1.79 1.96 -1.46 0.00 0.00 175.22 177.81 1gmr h GLN 38 N 8.23 0.00 -6.00 10.12 4.20 -1.95 -3.39 115.11 126.32 1gmr h GLN 38 Ca -0.35 0.00 -0.42 0.00 0.06 0.00 0.00 58.65 57.93 1gmr h GLN 38 Cb 1.19 0.00 0.08 0.00 0.30 0.00 0.00 27.48 29.05 1gmr h GLN 38 CO 0.57 0.00 -0.71 -1.71 -0.67 0.00 0.00 178.83 176.31 1gmr n ASN 39 N -2.89 -5.71 -0.10 1.46 5.15 -1.26 -4.87 115.26 107.05 1gmr n ASN 39 Ca 0.03 -0.62 0.02 0.00 -0.60 0.00 0.00 54.58 53.40 1gmr n ASN 39 Cb 0.39 -4.65 0.32 0.00 -0.53 0.00 0.00 39.78 35.32 1gmr n ASN 39 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 1gmr h ARG 40 N -2.48 0.75 -0.00 1.20 2.43 -1.99 -1.76 114.38 112.53 1gmr h ARG 40 Ca -0.57 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.53 1gmr h ARG 40 Cb 1.37 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1gmr h ARG 40 CO 0.60 0.53 -0.09 0.39 -1.51 0.00 0.00 179.97 179.89 1gmr n GLU 41 N -4.42 0.73 -2.30 0.20 4.71 -1.26 -4.93 120.64 113.37 1gmr n GLU 41 Ca 0.05 -0.23 -0.18 0.00 -0.01 0.00 0.00 57.16 56.79 1gmr n GLU 41 Cb 0.08 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 29.00 1gmr n GLU 41 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1gmr n SER 42 N -0.93 -5.32 -0.08 1.62 2.88 -0.66 -4.92 113.62 106.21 1gmr n SER 42 Ca 0.15 0.01 -0.14 0.00 -1.33 0.00 0.00 58.87 57.56 1gmr n SER 42 Cb 0.27 -4.38 -0.05 0.00 -0.75 0.00 0.00 64.21 59.29 1gmr n SER 42 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1gmr h VAL 43 N 0.00 1.30 -2.52 2.46 2.07 -1.92 -3.39 116.25 114.25 1gmr h VAL 43 Ca -0.43 -1.63 -0.46 0.00 0.82 0.00 0.00 66.70 65.00 1gmr h VAL 43 Cb 1.31 1.70 0.02 0.00 -1.52 0.00 0.00 31.29 32.80 1gmr h VAL 43 CO 0.52 0.52 -0.19 -0.76 0.02 0.00 0.00 177.57 177.68 1gmr s LEU 44 N -8.79 3.84 0.33 2.57 1.43 -1.26 0.35 118.68 117.15 1gmr s LEU 44 Ca -0.12 0.21 -0.27 0.00 -1.03 0.00 0.00 54.13 52.92 1gmr s LEU 44 Cb 0.09 -3.09 -0.13 0.00 0.03 0.00 0.00 46.19 43.09 1gmr s LEU 44 CO 0.86 -0.51 1.03 -2.65 0.23 0.00 0.00 176.35 175.31 1gmr n PRO 45 N -1.88 1.44 -1.83 1.29 -0.02 -1.26 -4.86 135.00 127.88 1gmr n PRO 45 Ca -0.01 0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 61.56 1gmr n PRO 45 Cb 0.57 -1.94 -0.03 0.00 -0.02 0.00 0.00 33.50 32.09 1gmr n PRO 45 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1gmr s THR 46 N -1.12 2.70 0.21 3.45 2.01 -1.26 -4.98 115.64 116.66 1gmr s THR 46 Ca 0.59 0.27 -0.08 0.00 0.31 0.00 0.00 61.69 62.78 1gmr s THR 46 Cb -0.65 -3.17 -0.02 0.00 0.01 0.00 0.00 72.50 68.67 1gmr s THR 46 CO 0.60 0.00 0.32 -1.10 -0.69 0.00 0.00 174.62 173.75 1gmr s GLN 47 N 2.38 1.35 0.89 4.92 -1.52 -1.26 -5.16 119.66 121.26 1gmr s GLN 47 Ca 0.76 -1.36 -0.11 0.00 -1.95 0.00 0.00 55.36 52.70 1gmr s GLN 47 Cb -0.44 0.38 0.13 0.00 -0.22 0.00 0.00 33.01 32.86 1gmr s GLN 47 CO 0.34 -0.51 1.11 -1.54 -0.25 0.00 0.00 175.29 174.44 1gmr s SER 48 N -3.06 3.34 0.13 5.90 1.04 -1.26 -4.90 113.70 114.88 1gmr s SER 48 Ca 0.27 1.92 -0.31 0.00 0.48 0.00 0.00 55.95 58.31 1gmr s SER 48 Cb 0.03 -2.48 -0.10 0.00 0.10 0.00 0.00 66.02 63.57 1gmr s SER 48 CO 0.08 -2.79 1.76 -0.47 0.98 0.00 0.00 173.24 172.80 1gmr s TYR 49 N -2.75 2.38 0.00 5.02 5.04 -1.26 -1.84 117.35 123.94 1gmr s TYR 49 Ca 0.65 0.15 0.00 0.00 -2.44 0.00 0.00 57.07 55.42 1gmr s TYR 49 Cb -0.20 -4.11 0.00 0.00 0.35 0.00 0.00 41.96 38.00 1gmr s TYR 49 CO 0.58 -4.47 0.00 0.41 -1.34 0.00 0.00 175.55 170.73 1gmr n GLY 50 N 4.11 0.60 0.19 8.97 0.00 -1.26 -4.93 105.19 112.87 1gmr n GLY 50 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 1gmr n GLY 50 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1gmr h TYR 51 N 0.00 0.52 -2.89 1.61 5.03 -1.69 -3.44 116.97 116.10 1gmr h TYR 51 Ca 0.00 -0.19 -0.66 0.00 2.58 0.00 0.00 58.73 60.46 1gmr h TYR 51 Cb 0.00 -0.10 -0.08 0.00 1.55 0.00 0.00 36.73 38.10 1gmr h TYR 51 CO 0.00 0.89 -0.53 0.71 -1.32 0.00 0.00 178.16 177.91 1gmr s TYR 52 N -3.88 3.45 0.05 -3.82 2.02 -1.26 -2.57 117.35 111.33 1gmr s TYR 52 Ca -0.06 0.35 0.03 0.00 -0.37 0.00 0.00 57.07 57.03 1gmr s TYR 52 Cb 0.12 -1.84 -0.02 0.00 -0.40 0.00 0.00 41.96 39.82 1gmr s TYR 52 CO 0.82 0.63 -0.10 -1.01 -1.57 0.00 0.00 175.55 174.32 1gmr s HIS 53 N -1.14 0.86 -0.00 2.71 3.76 -0.73 -1.50 115.29 119.24 1gmr s HIS 53 Ca 0.21 -0.43 0.04 0.00 -0.15 0.00 0.00 55.06 54.72 1gmr s HIS 53 Cb -0.12 -0.51 -0.03 0.00 1.11 0.00 0.00 32.58 33.03 1gmr s HIS 53 CO 0.11 -0.03 -0.11 -1.83 -0.85 0.00 0.00 174.74 172.03 1gmr s GLU 54 N -1.44 2.44 -0.01 1.40 -1.05 -0.34 -0.44 118.70 119.27 1gmr s GLU 54 Ca -0.05 -0.77 0.00 0.00 -0.15 0.00 0.00 54.97 54.00 1gmr s GLU 54 Cb -0.09 -2.41 0.01 0.00 -0.44 0.00 0.00 34.13 31.20 1gmr s GLU 54 CO 0.01 0.59 0.00 0.71 0.95 0.00 0.00 175.26 177.53 1gmr s TYR 55 N -0.92 0.09 0.35 4.83 1.51 -0.43 0.36 117.35 123.15 1gmr s TYR 55 Ca 0.15 0.03 -0.27 0.00 -1.01 0.00 0.00 57.07 55.97 1gmr s TYR 55 Cb -0.11 -0.15 -0.09 0.00 -0.11 0.00 0.00 41.96 41.50 1gmr s TYR 55 CO 0.05 -0.04 1.12 0.99 -1.11 0.00 0.00 175.55 176.56 1gmr s THR 56 N 0.41 3.40 -0.33 -0.71 2.01 -1.26 -0.05 115.64 119.11 1gmr s THR 56 Ca -0.04 1.24 -0.06 0.00 0.31 0.00 0.00 61.69 63.14 1gmr s THR 56 Cb -0.06 -3.72 0.04 0.00 0.01 0.00 0.00 72.50 68.78 1gmr s THR 56 CO -0.01 0.17 0.09 -0.69 -0.69 0.00 0.00 174.62 173.49 1gmr s VAL 57 N -1.38 3.66 0.24 3.82 1.01 -0.82 -4.75 120.40 122.19 1gmr s VAL 57 Ca 0.52 -1.18 -0.31 0.00 0.00 0.00 0.00 61.98 61.01 1gmr s VAL 57 Cb -0.29 -3.09 -0.13 0.00 0.00 0.00 0.00 36.38 32.87 1gmr s VAL 57 CO 0.37 -0.18 1.50 -0.38 0.00 0.00 0.00 175.10 176.42 1gmr n ILE 58 N 4.78 0.80 -3.44 2.22 5.41 -1.26 -4.36 119.36 123.52 1gmr n ILE 58 Ca -0.12 -0.20 -0.41 0.00 1.00 0.00 0.00 62.75 63.02 1gmr n ILE 58 Cb 0.44 -1.66 -0.10 0.00 -0.71 0.00 0.00 39.64 37.62 1gmr n ILE 58 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1gmr s THR 59 N 0.14 5.21 0.09 1.39 2.01 -1.26 -4.81 115.64 118.41 1gmr s THR 59 Ca 0.69 -0.14 -0.36 0.00 0.31 0.00 0.00 61.69 62.19 1gmr s THR 59 Cb -0.60 -3.82 -0.16 0.00 0.01 0.00 0.00 72.50 67.94 1gmr s THR 59 CO 0.47 -0.11 1.45 -2.65 -0.69 0.00 0.00 174.62 173.08 1gmr n PRO 60 N 5.29 1.51 0.00 4.92 -0.02 -1.26 -2.12 135.00 143.32 1gmr n PRO 60 Ca -0.10 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1gmr n PRO 60 Cb 0.49 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1gmr n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gmr n GLY 61 N 2.93 3.18 3.77 -1.23 0.00 -1.26 -5.02 105.19 107.57 1gmr n GLY 61 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1gmr n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gmr s ALA 62 N -2.07 3.45 -0.51 4.61 0.00 -0.90 -4.93 121.76 121.42 1gmr s ALA 62 Ca 0.00 1.17 0.24 0.00 0.00 0.00 0.00 51.96 53.37 1gmr s ALA 62 Cb 0.00 -3.44 0.40 0.00 0.00 0.00 0.00 23.12 20.07 1gmr s ALA 62 CO 0.00 -0.54 1.49 0.00 0.00 0.00 0.00 175.76 176.71 1gmr h ARG 63 N 3.40 0.00 0.00 0.00 3.08 -1.95 -3.47 114.38 115.44 1gmr h ARG 63 Ca -0.48 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.07 1gmr h ARG 63 Cb 1.22 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.19 1gmr h ARG 63 CO 0.65 0.00 -0.34 0.25 -1.07 0.00 0.00 179.97 179.47 1gmr n THR 64 N -2.63 0.00 0.34 2.04 -2.24 -1.26 -5.00 114.28 105.53 1gmr n THR 64 Ca 0.03 -1.82 0.10 0.00 -2.27 0.00 0.00 64.05 60.10 1gmr n THR 64 Cb 0.49 0.27 0.46 0.00 -2.10 0.00 0.00 70.33 69.45 1gmr n THR 64 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1gmr n ARG 65 N -1.09 0.14 0.00 -0.78 1.74 -1.26 -4.84 116.66 110.57 1gmr n ARG 65 Ca -0.13 0.45 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 1gmr n ARG 65 Cb 0.50 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 1gmr n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gmr n GLY 66 N -0.38 0.67 0.33 -0.13 0.00 -1.26 -4.42 105.19 100.00 1gmr n GLY 66 Ca 0.01 -0.75 0.04 0.00 0.00 0.00 0.00 46.02 45.33 1gmr n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gmr n THR 67 N 0.00 0.00 -3.57 2.61 -2.24 -1.26 -4.94 114.28 104.88 1gmr n THR 67 Ca 0.00 -0.49 -0.37 0.00 -2.27 0.00 0.00 64.05 60.91 1gmr n THR 67 Cb 0.00 1.17 -0.06 0.00 -2.10 0.00 0.00 70.33 69.34 1gmr n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1gmr s ARG 68 N -0.75 3.99 0.06 -0.78 0.52 -1.26 -0.70 118.95 120.04 1gmr s ARG 68 Ca 0.10 0.19 -0.14 0.00 -0.52 0.00 0.00 55.73 55.35 1gmr s ARG 68 Cb 0.07 -3.31 0.02 0.00 0.52 0.00 0.00 34.95 32.25 1gmr s ARG 68 CO 0.11 0.49 0.33 1.03 0.02 0.00 0.00 175.30 177.28 1gmr s ARG 69 N -0.34 0.87 -0.14 3.54 1.81 0.22 -1.95 118.95 122.95 1gmr s ARG 69 Ca 0.19 -0.53 -0.01 0.00 -1.72 0.00 0.00 55.73 53.66 1gmr s ARG 69 Cb -0.14 0.38 -0.02 0.00 -0.45 0.00 0.00 34.95 34.72 1gmr s ARG 69 CO 0.08 -0.29 -0.10 0.42 -0.68 0.00 0.00 175.30 174.72 1gmr s ILE 70 N -2.78 3.30 -0.20 1.52 1.01 0.93 -1.46 121.20 123.51 1gmr s ILE 70 Ca -0.03 -0.57 -0.04 0.00 0.00 0.00 0.00 60.65 60.00 1gmr s ILE 70 Cb -0.00 -2.40 -0.02 0.00 0.01 0.00 0.00 42.46 40.05 1gmr s ILE 70 CO -0.05 0.52 -0.02 -0.63 0.00 0.00 0.00 174.94 174.76 1gmr s ILE 71 N 0.34 3.76 0.10 2.92 -1.09 0.13 -1.31 121.20 126.05 1gmr s ILE 71 Ca -0.09 -0.38 0.01 0.00 -2.23 0.00 0.00 60.65 57.97 1gmr s ILE 71 Cb -0.15 -2.70 -0.04 0.00 -1.58 0.00 0.00 42.46 37.99 1gmr s ILE 71 CO 0.05 0.43 0.23 0.00 -1.23 0.00 0.00 174.94 174.42 1gmr s GLY 73 N -2.79 2.29 0.43 0.00 0.00 0.02 -1.78 107.32 105.49 1gmr s GLY 73 Ca 0.34 -1.74 0.26 0.00 0.00 0.00 0.00 44.72 43.58 1gmr s GLY 73 CO 0.28 -1.85 1.73 0.83 0.00 0.00 0.00 173.10 174.08 1gmr h GLU 74 N 1.07 0.00 -7.13 2.90 5.08 -1.79 -3.43 114.58 111.28 1gmr h GLU 74 Ca -0.40 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.45 1gmr h GLU 74 Cb 1.27 0.00 0.09 0.00 0.50 0.00 0.00 28.75 30.62 1gmr h GLU 74 CO 0.62 0.00 0.42 0.00 -1.00 0.00 0.00 179.01 179.04 1gmr s ALA 75 N -3.31 2.56 -0.09 3.43 0.00 -1.26 -4.93 121.76 118.16 1gmr s ALA 75 Ca 0.06 0.76 -0.35 0.00 0.00 0.00 0.00 51.96 52.43 1gmr s ALA 75 Cb 0.07 -3.37 -0.12 0.00 0.00 0.00 0.00 23.12 19.70 1gmr s ALA 75 CO 0.62 -1.07 1.84 2.41 0.00 0.00 0.00 175.76 179.56 1gmr n THR 76 N -1.81 0.50 -1.36 0.00 -1.04 -1.26 -1.54 114.28 107.78 1gmr n THR 76 Ca 0.12 -0.09 -0.12 0.00 -2.04 0.00 0.00 64.05 61.91 1gmr n THR 76 Cb 0.51 -1.76 -0.05 0.00 -1.82 0.00 0.00 70.33 67.20 1gmr n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1gmr n GLN 77 N 6.21 -1.19 -2.94 -2.82 1.13 -1.26 -4.96 117.38 111.56 1gmr n GLN 77 Ca 0.23 0.91 -0.43 0.00 -1.94 0.00 0.00 57.00 55.76 1gmr n GLN 77 Cb 0.27 -5.07 -0.05 0.00 0.11 0.00 0.00 30.24 25.51 1gmr n GLN 77 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1gmr s GLU 78 N -2.93 3.33 -0.06 -1.09 2.12 -0.59 -4.87 118.70 114.61 1gmr s GLU 78 Ca 0.00 -0.30 -0.04 0.00 0.36 0.00 0.00 54.97 55.00 1gmr s GLU 78 Cb 0.00 -4.01 0.03 0.00 0.26 0.00 0.00 34.13 30.40 1gmr s GLU 78 CO 0.00 -1.29 0.14 -0.51 -0.54 0.00 0.00 175.26 173.06 1gmr s ASP 79 N 2.52 -0.12 0.06 -1.70 1.01 -1.26 -0.80 116.67 116.38 1gmr s ASP 79 Ca 0.28 0.29 0.10 0.00 0.71 0.00 0.00 52.55 53.92 1gmr s ASP 79 Cb -0.13 0.23 -0.03 0.00 1.01 0.00 0.00 42.92 43.99 1gmr s ASP 79 CO 0.19 -0.10 -0.26 -0.31 0.21 0.00 0.00 175.17 174.90 1gmr s TYR 80 N 0.66 2.30 -0.10 4.23 2.02 0.12 -1.05 117.35 125.53 1gmr s TYR 80 Ca -0.05 -0.41 -0.01 0.00 -0.37 0.00 0.00 57.07 56.23 1gmr s TYR 80 Cb -0.07 -1.35 -0.03 0.00 -0.40 0.00 0.00 41.96 40.11 1gmr s TYR 80 CO -0.03 0.17 -0.03 -0.47 -1.57 0.00 0.00 175.55 173.62 1gmr s TYR 81 N -0.86 3.05 -0.05 2.71 5.04 0.20 0.22 117.35 127.66 1gmr s TYR 81 Ca 0.12 0.02 0.02 0.00 -2.44 0.00 0.00 57.07 54.79 1gmr s TYR 81 Cb -0.10 -1.80 0.01 0.00 0.35 0.00 0.00 41.96 40.42 1gmr s TYR 81 CO 0.03 0.30 -0.11 -0.08 -1.34 0.00 0.00 175.55 174.34 1gmr s THR 82 N -0.55 1.04 -1.62 4.34 -1.32 -0.54 -0.92 115.64 116.08 1gmr s THR 82 Ca 0.09 -0.45 0.14 0.00 -1.21 0.00 0.00 61.69 60.25 1gmr s THR 82 Cb -0.12 -0.95 0.09 0.00 -1.51 0.00 0.00 72.50 70.01 1gmr s THR 82 CO 0.02 0.33 0.90 0.61 -2.21 0.00 0.00 174.62 174.27 1gmr n GLY 83 N 3.66 -0.08 1.33 6.08 0.00 -1.26 -0.61 105.19 114.31 1gmr n GLY 83 Ca -0.22 -0.39 -0.01 0.00 0.00 0.00 0.00 46.02 45.40 1gmr n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gmr n ASP 84 N 0.61 2.16 -3.46 1.61 5.68 -1.22 -4.44 116.55 117.50 1gmr n ASP 84 Ca 0.08 -3.22 -0.20 0.00 -0.50 0.00 0.00 54.79 50.94 1gmr n ASP 84 Cb 0.33 -0.43 0.06 0.00 -1.14 0.00 0.00 41.12 39.94 1gmr n ASP 84 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1gmr n HIS 85 N -0.59 -2.19 -1.22 2.11 -0.00 0.13 -3.46 115.22 110.00 1gmr n HIS 85 Ca 0.20 0.77 -0.07 0.00 -0.00 0.00 0.00 57.72 58.61 1gmr n HIS 85 Cb 0.87 -4.14 -0.03 0.00 -0.00 0.00 0.00 29.99 26.68 1gmr n HIS 85 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1gmr n TYR 86 N -3.78 0.00 -0.04 1.57 4.01 -1.26 -4.92 117.16 112.74 1gmr n TYR 86 Ca -0.15 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.45 1gmr n TYR 86 Cb 0.63 -1.62 -0.12 0.00 -0.31 0.00 0.00 39.34 37.93 1gmr n TYR 86 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1gmr h ALA 87 N 0.00 0.02 -2.47 -0.72 0.00 -1.97 -3.47 119.26 110.65 1gmr h ALA 87 Ca -0.15 -0.43 -0.31 0.00 0.00 0.00 0.00 54.91 54.01 1gmr h ALA 87 Cb 0.55 0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.19 1gmr h ALA 87 CO 0.22 -0.00 -0.72 0.95 0.00 0.00 0.00 179.25 179.70 1gmr s THR 88 N -3.11 1.02 0.02 0.00 -4.23 -1.26 -5.05 115.64 103.04 1gmr s THR 88 Ca -0.17 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 1gmr s THR 88 Cb -0.00 -1.61 -0.02 0.00 1.34 0.00 0.00 72.50 72.21 1gmr s THR 88 CO 0.71 -0.67 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.73 1gmr s PHE 89 N -2.94 0.33 0.05 3.99 0.40 -1.26 -4.36 117.98 114.19 1gmr s PHE 89 Ca 0.11 -0.54 0.04 0.00 -0.60 0.00 0.00 56.93 55.94 1gmr s PHE 89 Cb 0.00 -0.23 -0.02 0.00 0.51 0.00 0.00 43.02 43.28 1gmr s PHE 89 CO -0.00 -0.18 -0.12 -1.12 0.70 0.00 0.00 175.22 174.50 1gmr s SER 90 N -1.52 1.38 0.05 1.36 0.01 -0.09 0.12 113.70 115.01 1gmr s SER 90 Ca -0.15 -0.52 -0.24 0.00 1.31 0.00 0.00 55.95 56.35 1gmr s SER 90 Cb -0.10 -0.04 -0.06 0.00 0.21 0.00 0.00 66.02 66.03 1gmr s SER 90 CO -0.01 -0.07 0.73 -0.22 0.41 0.00 0.00 173.24 174.08 1gmr s LEU 91 N -1.42 4.46 -0.13 2.44 2.96 0.97 -0.63 118.68 127.34 1gmr s LEU 91 Ca -0.03 1.42 -0.22 0.00 -0.22 0.00 0.00 54.13 55.08 1gmr s LEU 91 Cb -0.09 -3.18 -0.03 0.00 0.50 0.00 0.00 46.19 43.39 1gmr s LEU 91 CO 0.01 0.06 0.68 -0.63 -1.32 0.00 0.00 176.35 175.15 1gmr s ILE 92 N -0.23 5.02 -0.39 6.68 1.01 -0.22 0.39 121.20 133.47 1gmr s ILE 92 Ca 0.37 1.35 -0.15 0.00 0.00 0.00 0.00 60.65 62.23 1gmr s ILE 92 Cb -0.20 -4.01 0.01 0.00 0.01 0.00 0.00 42.46 38.27 1gmr s ILE 92 CO 0.22 0.18 0.30 -0.62 0.00 0.00 0.00 174.94 175.02 1gmr s ASP 93 N 0.97 6.11 0.00 3.58 -1.08 0.12 -4.72 116.67 121.65 1gmr s ASP 93 Ca 0.34 -0.69 0.27 0.00 -0.52 0.00 0.00 52.55 51.95 1gmr s ASP 93 Cb -0.17 -2.16 1.44 0.00 -1.46 0.00 0.00 42.92 40.57 1gmr s ASP 93 CO 0.14 -0.40 1.95 0.00 0.52 0.00 0.00 175.17 177.39 1gmr n GLN 94 N 5.21 0.49 0.00 4.34 6.02 -1.26 -0.90 117.38 131.28 1gmr n GLN 94 Ca -0.11 0.02 0.13 0.00 -0.01 0.00 0.00 57.00 57.04 1gmr n GLN 94 Cb 0.48 -1.50 0.46 0.00 1.02 0.00 0.00 30.24 30.70 1gmr n GLN 94 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1gmr n THR 95 N -1.23 0.00 -1.25 5.09 -2.24 -1.26 -4.91 114.28 108.48 1gmr n THR 95 Ca 0.15 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1gmr n THR 95 Cb 0.19 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 1gmr n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50