#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gmp s VAL 2 N 0.00 4.56 -0.19 2.53 1.01 -1.26 -4.70 120.40 122.35 1gmp s VAL 2 Ca 0.00 1.74 -0.03 0.00 0.00 0.00 0.00 61.98 63.69 1gmp s VAL 2 Cb 0.00 -4.16 0.01 0.00 0.00 0.00 0.00 36.38 32.23 1gmp s VAL 2 CO 0.00 0.41 2.57 -1.20 0.00 0.00 0.00 175.10 176.87 1gmp n SER 3 N 2.40 5.89 0.00 3.32 7.64 0.11 -4.98 113.62 128.00 1gmp n SER 3 Ca -0.03 -2.79 0.00 0.00 1.01 0.00 0.00 58.87 57.07 1gmp n SER 3 Cb 0.49 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 1gmp n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gmp n GLY 4 N 1.28 -2.16 3.80 0.23 0.00 -1.26 -4.84 105.19 102.23 1gmp n GLY 4 Ca 0.29 -1.70 -0.24 0.00 0.00 0.00 0.00 46.02 44.38 1gmp n GLY 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1gmp s THR 5 N -0.19 4.38 0.00 2.61 -4.23 -1.26 -1.40 115.64 115.55 1gmp s THR 5 Ca 0.00 -1.33 0.03 0.00 -1.18 0.00 0.00 61.69 59.21 1gmp s THR 5 Cb 0.00 -3.32 -0.01 0.00 1.34 0.00 0.00 72.50 70.52 1gmp s THR 5 CO 0.00 -0.26 -0.08 0.54 -0.54 0.00 0.00 174.62 174.28 1gmp s VAL 6 N -2.00 0.64 0.27 2.29 0.11 0.29 -4.87 120.40 117.12 1gmp s VAL 6 Ca 0.32 -0.43 -0.29 0.00 -2.93 0.00 0.00 61.98 58.64 1gmp s VAL 6 Cb -0.09 -0.55 -0.09 0.00 -1.53 0.00 0.00 36.38 34.12 1gmp s VAL 6 CO 0.24 0.12 1.10 0.00 -3.33 0.00 0.00 175.10 173.23 1gmp h LEU 8 N 3.90 0.81 -1.64 0.00 5.85 -0.85 -1.61 115.31 121.76 1gmp h LEU 8 Ca -0.47 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1gmp h LEU 8 Cb 1.21 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1gmp h LEU 8 CO 0.67 0.54 0.00 0.77 -0.34 0.00 0.00 178.44 180.08 1gmp h SER 9 N 0.93 0.00 0.86 1.25 4.64 -1.70 -2.19 113.55 117.34 1gmp h SER 9 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1gmp h SER 9 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1gmp h SER 9 CO -0.11 0.00 -0.73 0.00 -0.87 0.00 0.00 176.83 175.11 1gmp h ALA 10 N 2.07 0.54 -2.40 5.18 0.00 -1.58 -3.47 119.26 119.59 1gmp h ALA 10 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.45 1gmp h ALA 10 Cb 0.27 0.00 0.08 0.00 0.00 0.00 0.00 17.79 18.14 1gmp h ALA 10 CO 0.00 0.00 0.29 -0.51 0.00 0.00 0.00 179.25 179.03 1gmp s LEU 11 N -4.44 2.78 0.60 0.00 1.43 -0.82 -5.01 118.68 113.21 1gmp s LEU 11 Ca 0.05 0.63 -0.19 0.00 -1.03 0.00 0.00 54.13 53.58 1gmp s LEU 11 Cb 0.13 -3.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.05 1gmp s LEU 11 CO 0.74 -1.61 1.20 -2.65 0.23 0.00 0.00 176.35 174.27 1gmp n PRO 12 N -3.00 1.22 0.23 1.29 -0.02 -1.26 -4.85 135.00 128.60 1gmp n PRO 12 Ca 0.08 0.46 0.13 0.00 -2.02 0.00 0.00 63.50 62.15 1gmp n PRO 12 Cb 0.60 -2.41 0.77 0.00 -0.02 0.00 0.00 33.50 32.43 1gmp n PRO 12 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1gmp h PRO 13 N 0.81 0.00 0.00 0.52 0.13 -1.95 -1.04 132.00 130.46 1gmp h PRO 13 Ca -0.50 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 1gmp h PRO 13 Cb 1.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 1gmp h PRO 13 CO 0.54 0.00 -0.06 0.93 -0.23 0.00 0.00 178.00 179.18 1gmp h GLU 14 N 0.00 0.00 -0.78 0.86 3.07 -1.89 -1.39 114.58 114.46 1gmp h GLU 14 Ca 0.05 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.89 1gmp h GLU 14 Cb 0.22 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.09 1gmp h GLU 14 CO -0.00 0.06 0.41 0.00 -1.40 0.00 0.00 179.01 178.07 1gmp h ALA 15 N 1.94 1.00 -0.59 3.43 0.00 -1.52 -0.09 119.26 123.44 1gmp h ALA 15 Ca -0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1gmp h ALA 15 Cb 0.29 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1gmp h ALA 15 CO 0.01 0.53 0.09 1.15 0.00 0.00 0.00 179.25 181.03 1gmp h THR 16 N 1.09 1.26 -0.42 0.00 2.02 -1.39 -1.74 112.91 113.72 1gmp h THR 16 Ca 0.27 -1.00 0.04 0.00 0.77 0.00 0.00 66.41 66.50 1gmp h THR 16 Cb 0.07 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 1gmp h THR 16 CO -0.04 0.37 0.18 0.44 0.37 0.00 0.00 175.52 176.84 1gmp h ASP 17 N 0.88 0.23 -0.54 4.18 3.32 -1.19 -1.48 116.42 121.81 1gmp h ASP 17 Ca 0.18 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.21 1gmp h ASP 17 Cb 0.43 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1gmp h ASP 17 CO 0.01 0.17 0.13 0.74 -1.72 0.00 0.00 179.24 178.57 1gmp h THR 18 N 0.37 1.25 -0.99 0.35 2.02 -0.80 -1.09 112.91 114.01 1gmp h THR 18 Ca 0.19 -0.89 0.04 0.00 0.77 0.00 0.00 66.41 66.52 1gmp h THR 18 Cb 0.14 0.78 -0.06 0.00 -1.74 0.00 0.00 68.15 67.28 1gmp h THR 18 CO -0.17 0.32 0.65 -0.07 0.37 0.00 0.00 175.52 176.62 1gmp h LEU 19 N 0.77 1.08 -0.59 2.58 3.38 -0.96 1.00 115.31 122.57 1gmp h LEU 19 Ca 0.17 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1gmp h LEU 19 Cb 0.35 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1gmp h LEU 19 CO 0.00 0.74 0.33 0.78 0.09 0.00 0.00 178.44 180.38 1gmp h ASN 20 N 1.25 0.73 -0.52 -0.43 2.35 -0.86 -0.50 115.58 117.60 1gmp h ASN 20 Ca 0.40 -0.08 -0.10 0.00 -0.55 0.00 0.00 56.30 55.96 1gmp h ASN 20 Cb 0.01 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 1gmp h ASN 20 CO -0.13 0.60 -0.08 -0.07 -1.65 0.00 0.00 177.43 176.10 1gmp h LEU 21 N 0.79 0.97 -0.75 1.61 3.38 -0.34 -2.25 115.31 118.73 1gmp h LEU 21 Ca 0.21 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.84 1gmp h LEU 21 Cb 0.03 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 1gmp h LEU 21 CO -0.04 1.08 0.50 0.40 0.09 0.00 0.00 178.44 180.48 1gmp h ILE 22 N 0.84 1.19 -0.89 1.22 2.04 -0.44 0.31 117.51 121.77 1gmp h ILE 22 Ca 0.14 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 1gmp h ILE 22 Cb 0.64 0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 1gmp h ILE 22 CO 0.04 0.18 0.54 0.00 0.00 0.00 0.00 178.15 178.92 1gmp h ALA 23 N 1.28 1.27 -0.44 1.87 0.00 -0.86 -1.94 119.26 120.43 1gmp h ALA 23 Ca 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1gmp h ALA 23 Cb -0.11 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.32 1gmp h ALA 23 CO -0.06 0.63 0.00 -1.13 0.00 0.00 0.00 179.25 178.69 1gmp n SER 24 N -4.36 2.65 -3.72 0.00 3.41 -0.87 -4.94 113.62 105.80 1gmp n SER 24 Ca 0.10 -1.96 -0.23 0.00 -0.26 0.00 0.00 58.87 56.52 1gmp n SER 24 Cb 0.06 -0.29 0.04 0.00 -0.26 0.00 0.00 64.21 63.75 1gmp n SER 24 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1gmp n ASP 25 N 0.95 -2.43 0.00 4.04 2.03 -0.05 -4.68 116.55 116.40 1gmp n ASP 25 Ca 0.17 -0.77 0.00 0.00 0.52 0.00 0.00 54.79 54.71 1gmp n ASP 25 Cb 0.43 -4.19 0.00 0.00 -0.72 0.00 0.00 41.12 36.64 1gmp n ASP 25 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1gmp n GLY 26 N -1.59 -0.51 3.77 0.27 0.00 0.89 -4.80 105.19 103.23 1gmp n GLY 26 Ca -0.20 -1.13 -0.40 0.00 0.00 0.00 0.00 46.02 44.29 1gmp n GLY 26 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1gmp s PRO 27 N 0.00 3.95 0.20 1.61 0.02 -1.26 -4.94 135.00 134.58 1gmp s PRO 27 Ca 0.00 2.42 -0.09 0.00 0.02 0.00 0.00 61.00 63.35 1gmp s PRO 27 Cb 0.00 -2.83 -0.07 0.00 0.02 0.00 0.00 34.50 31.63 1gmp s PRO 27 CO 0.00 -0.60 0.51 -0.06 -0.33 0.00 0.00 177.00 176.52 1gmp s PHE 28 N -1.18 3.45 0.22 6.54 0.08 -1.26 -5.02 117.98 120.82 1gmp s PHE 28 Ca 0.56 0.81 -0.01 0.00 0.12 0.00 0.00 56.93 58.42 1gmp s PHE 28 Cb -0.43 -2.21 0.22 0.00 -0.57 0.00 0.00 43.02 40.02 1gmp s PHE 28 CO 0.57 0.32 1.58 -1.00 -0.10 0.00 0.00 175.22 176.59 1gmp h PRO 29 N 2.69 0.51 -6.27 0.24 0.13 -1.98 -3.45 132.00 123.87 1gmp h PRO 29 Ca -0.47 -0.28 -0.66 0.00 -0.87 0.00 0.00 66.00 63.72 1gmp h PRO 29 Cb 1.17 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 1gmp h PRO 29 CO 0.70 0.86 -0.67 0.71 -0.23 0.00 0.00 178.00 179.37 1gmp s TYR 30 N -4.15 2.98 0.18 1.56 2.02 -1.26 -5.00 117.35 113.67 1gmp s TYR 30 Ca -0.07 0.00 0.32 0.00 -0.37 0.00 0.00 57.07 56.95 1gmp s TYR 30 Cb 0.12 -1.60 1.37 0.00 -0.40 0.00 0.00 41.96 41.45 1gmp s TYR 30 CO 0.82 0.44 1.99 0.66 -1.57 0.00 0.00 175.55 177.89 1gmp h SER 31 N 4.08 0.00 0.44 2.29 4.64 -2.06 -1.54 113.55 121.40 1gmp h SER 31 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1gmp h SER 31 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1gmp h SER 31 CO 0.57 0.05 -0.03 0.00 -0.87 0.00 0.00 176.83 176.55 1gmp n GLN 32 N -3.19 0.57 -2.20 4.77 1.13 -1.26 -4.85 117.38 112.35 1gmp n GLN 32 Ca 0.00 -0.06 -0.41 0.00 -1.94 0.00 0.00 57.00 54.59 1gmp n GLN 32 Cb 0.31 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.13 1gmp n GLN 32 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1gmp s ASP 33 N -2.47 6.87 0.00 1.08 1.01 -0.58 -3.15 116.67 119.42 1gmp s ASP 33 Ca 0.31 2.40 0.00 0.00 0.71 0.00 0.00 52.55 55.97 1gmp s ASP 33 Cb 0.20 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.53 1gmp s ASP 33 CO 0.45 -0.56 0.00 0.61 0.21 0.00 0.00 175.17 175.88 1gmp n GLY 34 N 2.56 0.68 3.79 0.21 0.00 0.45 -5.01 105.19 107.87 1gmp n GLY 34 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1gmp n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1gmp s VAL 35 N -2.56 3.51 0.33 1.61 -7.23 -1.19 -4.67 120.40 110.22 1gmp s VAL 35 Ca 0.00 0.68 -0.28 0.00 -1.81 0.00 0.00 61.98 60.57 1gmp s VAL 35 Cb 0.00 -3.21 -0.10 0.00 0.56 0.00 0.00 36.38 33.63 1gmp s VAL 35 CO 0.00 -0.46 1.23 -0.69 -0.31 0.00 0.00 175.10 174.87 1gmp s VAL 36 N -2.47 2.99 -0.23 1.32 1.01 -1.26 -0.68 120.40 121.08 1gmp s VAL 36 Ca 0.65 0.96 -0.14 0.00 0.00 0.00 0.00 61.98 63.45 1gmp s VAL 36 Cb -0.18 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1gmp s VAL 36 CO 0.42 0.20 0.32 0.12 0.00 0.00 0.00 175.10 176.15 1gmp s PHE 37 N -1.20 3.32 -0.62 5.22 5.36 0.04 -4.74 117.98 125.35 1gmp s PHE 37 Ca 0.50 0.44 0.25 0.00 -0.96 0.00 0.00 56.93 57.16 1gmp s PHE 37 Cb -0.36 -2.46 0.67 0.00 -0.34 0.00 0.00 43.02 40.53 1gmp s PHE 37 CO 0.47 -0.04 1.72 1.96 -1.46 0.00 0.00 175.22 177.87 1gmp h GLN 38 N 7.63 0.00 -6.17 10.12 4.20 -1.94 -3.40 115.11 125.54 1gmp h GLN 38 Ca -0.36 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 57.91 1gmp h GLN 38 Cb 1.17 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.96 1gmp h GLN 38 CO 0.68 0.00 -0.77 -1.71 -0.67 0.00 0.00 178.83 176.36 1gmp n ASN 39 N -2.54 -3.94 0.26 1.46 5.15 -1.26 -4.85 115.26 109.54 1gmp n ASN 39 Ca 0.05 -0.76 0.14 0.00 -0.60 0.00 0.00 54.58 53.41 1gmp n ASN 39 Cb 0.46 -4.12 0.70 0.00 -0.53 0.00 0.00 39.78 36.29 1gmp n ASN 39 CO 0.00 0.00 0.00 0.08 1.40 0.00 0.00 177.26 178.74 1gmp h ARG 40 N -2.11 0.00 -0.16 1.20 0.11 -1.99 -1.28 114.38 110.15 1gmp h ARG 40 Ca -0.59 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.49 1gmp h ARG 40 Cb 1.37 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.45 1gmp h ARG 40 CO 0.62 0.11 0.00 0.39 0.10 0.00 0.00 179.97 181.20 1gmp n GLU 41 N -3.42 1.86 -2.71 0.08 4.71 -1.26 -4.95 120.64 114.95 1gmp n GLU 41 Ca -0.01 -1.28 -0.19 0.00 -0.01 0.00 0.00 57.16 55.67 1gmp n GLU 41 Cb 0.28 -1.43 0.00 0.00 -1.01 0.00 0.00 31.44 29.29 1gmp n GLU 41 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1gmp n SER 42 N 0.51 -5.14 0.01 1.62 7.64 -0.48 -4.88 113.62 112.90 1gmp n SER 42 Ca 0.17 -0.09 -0.12 0.00 1.01 0.00 0.00 58.87 59.84 1gmp n SER 42 Cb 0.39 -4.26 0.00 0.00 -1.01 0.00 0.00 64.21 59.34 1gmp n SER 42 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1gmp h VAL 43 N -0.52 1.33 -2.33 0.44 2.07 -1.93 -3.41 116.25 111.91 1gmp h VAL 43 Ca -0.44 -2.00 -0.44 0.00 0.82 0.00 0.00 66.70 64.64 1gmp h VAL 43 Cb 1.32 1.97 0.03 0.00 -1.52 0.00 0.00 31.29 33.09 1gmp h VAL 43 CO 0.51 0.62 -0.14 -0.76 0.02 0.00 0.00 177.57 177.81 1gmp s LEU 44 N -8.20 3.60 0.39 2.57 1.43 -1.26 -0.67 118.68 116.53 1gmp s LEU 44 Ca -0.07 0.01 -0.26 0.00 -1.03 0.00 0.00 54.13 52.77 1gmp s LEU 44 Cb 0.10 -2.93 -0.11 0.00 0.03 0.00 0.00 46.19 43.28 1gmp s LEU 44 CO 0.86 -0.79 1.26 -2.65 0.23 0.00 0.00 176.35 175.25 1gmp n PRO 45 N -2.05 1.96 -2.12 1.29 -0.02 -1.26 -4.91 135.00 127.90 1gmp n PRO 45 Ca 0.04 0.69 -0.41 0.00 -2.02 0.00 0.00 63.50 61.80 1gmp n PRO 45 Cb 0.59 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.71 1gmp n PRO 45 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1gmp s THR 46 N -1.16 2.94 0.24 3.45 2.01 -1.26 -5.01 115.64 116.86 1gmp s THR 46 Ca 0.59 0.79 -0.07 0.00 0.31 0.00 0.00 61.69 63.31 1gmp s THR 46 Cb -0.54 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 68.45 1gmp s THR 46 CO 0.60 0.12 0.34 -1.10 -0.69 0.00 0.00 174.62 173.89 1gmp s GLN 47 N -0.30 1.46 0.62 4.92 -1.52 -1.26 -5.14 119.66 118.44 1gmp s GLN 47 Ca 0.58 -1.47 -0.18 0.00 -1.95 0.00 0.00 55.36 52.34 1gmp s GLN 47 Cb -0.39 0.39 -0.02 0.00 -0.22 0.00 0.00 33.01 32.77 1gmp s GLN 47 CO 0.41 -0.56 1.19 -1.12 -0.25 0.00 0.00 175.29 174.95 1gmp s SER 48 N -3.11 5.07 0.23 5.90 0.01 -1.26 -4.92 113.70 115.62 1gmp s SER 48 Ca 0.30 2.31 -0.32 0.00 1.31 0.00 0.00 55.95 59.56 1gmp s SER 48 Cb 0.02 -2.59 -0.13 0.00 0.21 0.00 0.00 66.02 63.53 1gmp s SER 48 CO 0.12 -1.67 1.50 0.00 0.41 0.00 0.00 173.24 173.60 1gmp n TYR 49 N -1.85 2.34 0.00 2.43 4.19 -1.26 -2.11 117.16 120.90 1gmp n TYR 49 Ca 0.13 0.34 0.00 0.00 3.31 0.00 0.00 57.90 61.68 1gmp n TYR 49 Cb 0.50 -2.52 0.00 0.00 0.49 0.00 0.00 39.34 37.82 1gmp n TYR 49 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1gmp n GLY 50 N 2.57 0.86 0.23 2.98 0.00 -1.26 -4.94 105.19 105.64 1gmp n GLY 50 Ca 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.09 1gmp n GLY 50 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1gmp h TYR 51 N 0.00 0.63 -3.44 1.61 3.20 -1.76 -3.44 116.97 113.78 1gmp h TYR 51 Ca 0.00 -0.16 -0.67 0.00 3.14 0.00 0.00 58.73 61.04 1gmp h TYR 51 Cb 0.00 -0.14 -0.15 0.00 1.54 0.00 0.00 36.73 37.98 1gmp h TYR 51 CO 0.00 0.81 -0.66 0.71 -1.64 0.00 0.00 178.16 177.38 1gmp s TYR 52 N -4.36 3.02 0.11 -3.82 2.02 -1.26 -3.48 117.35 109.58 1gmp s TYR 52 Ca -0.07 0.05 0.06 0.00 -0.37 0.00 0.00 57.07 56.73 1gmp s TYR 52 Cb 0.13 -1.66 -0.04 0.00 -0.40 0.00 0.00 41.96 40.00 1gmp s TYR 52 CO 0.81 0.43 -0.15 -1.01 -1.57 0.00 0.00 175.55 174.07 1gmp s HIS 53 N -1.04 1.38 0.13 2.71 3.76 -0.62 -0.78 115.29 120.83 1gmp s HIS 53 Ca 0.18 -0.52 0.10 0.00 -0.15 0.00 0.00 55.06 54.68 1gmp s HIS 53 Cb -0.11 -0.74 -0.04 0.00 1.11 0.00 0.00 32.58 32.80 1gmp s HIS 53 CO 0.09 0.12 -0.25 -1.83 -0.85 0.00 0.00 174.74 172.02 1gmp s GLU 54 N -2.36 1.35 0.01 1.40 -1.05 0.15 -0.67 118.70 117.53 1gmp s GLU 54 Ca 0.06 -1.33 0.00 0.00 -0.15 0.00 0.00 54.97 53.54 1gmp s GLU 54 Cb -0.07 -1.77 -0.01 0.00 -0.44 0.00 0.00 34.13 31.85 1gmp s GLU 54 CO 0.03 0.41 -0.01 0.71 0.95 0.00 0.00 175.26 177.35 1gmp s TYR 55 N -1.18 0.10 0.29 4.83 1.51 0.15 -0.41 117.35 122.64 1gmp s TYR 55 Ca 0.13 -0.17 -0.29 0.00 -1.01 0.00 0.00 57.07 55.73 1gmp s TYR 55 Cb -0.10 -0.07 -0.10 0.00 -0.11 0.00 0.00 41.96 41.58 1gmp s TYR 55 CO 0.06 -0.06 1.16 0.99 -1.11 0.00 0.00 175.55 176.59 1gmp s THR 56 N -0.46 3.27 -0.32 -0.71 2.01 -1.26 -0.74 115.64 117.43 1gmp s THR 56 Ca -0.05 1.28 -0.06 0.00 0.31 0.00 0.00 61.69 63.17 1gmp s THR 56 Cb -0.03 -3.82 0.03 0.00 0.01 0.00 0.00 72.50 68.69 1gmp s THR 56 CO -0.00 0.31 0.09 -0.69 -0.69 0.00 0.00 174.62 173.63 1gmp s VAL 57 N -1.14 3.77 0.35 3.82 1.01 -0.44 -4.79 120.40 122.98 1gmp s VAL 57 Ca 0.46 -1.00 -0.28 0.00 0.00 0.00 0.00 61.98 61.16 1gmp s VAL 57 Cb -0.34 -3.07 -0.11 0.00 0.00 0.00 0.00 36.38 32.86 1gmp s VAL 57 CO 0.44 -0.08 1.44 -0.63 0.00 0.00 0.00 175.10 176.27 1gmp s ILE 58 N 1.43 2.28 -0.40 2.22 1.01 -1.26 -4.36 121.20 122.12 1gmp s ILE 58 Ca -0.00 0.28 -0.07 0.00 0.00 0.00 0.00 60.65 60.85 1gmp s ILE 58 Cb -0.19 -3.18 0.08 0.00 0.01 0.00 0.00 42.46 39.19 1gmp s ILE 58 CO 0.02 0.06 0.22 -0.89 0.00 0.00 0.00 174.94 174.35 1gmp s THR 59 N -0.99 3.90 0.35 2.92 2.01 -1.26 -4.76 115.64 117.82 1gmp s THR 59 Ca 0.53 -1.51 -0.29 0.00 0.31 0.00 0.00 61.69 60.73 1gmp s THR 59 Cb -0.44 -3.42 -0.11 0.00 0.01 0.00 0.00 72.50 68.53 1gmp s THR 59 CO 0.58 -0.48 1.49 -2.65 -0.69 0.00 0.00 174.62 172.86 1gmp n PRO 60 N 4.82 2.59 0.00 4.92 -0.02 -1.26 -1.63 135.00 144.43 1gmp n PRO 60 Ca -0.09 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 1gmp n PRO 60 Cb 0.43 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 1gmp n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gmp n GLY 61 N 0.95 2.67 3.82 -1.23 0.00 -1.26 -5.04 105.19 105.10 1gmp n GLY 61 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1gmp n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gmp s ALA 62 N -2.10 2.99 -1.37 4.61 0.00 -0.64 -4.95 121.76 120.28 1gmp s ALA 62 Ca 0.00 0.44 0.25 0.00 0.00 0.00 0.00 51.96 52.65 1gmp s ALA 62 Cb 0.00 -3.18 0.55 0.00 0.00 0.00 0.00 23.12 20.50 1gmp s ALA 62 CO 0.00 -0.05 1.44 2.89 0.00 0.00 0.00 175.76 180.04 1gmp n ARG 63 N -0.85 0.42 -3.23 0.00 1.85 -1.26 -4.91 116.66 108.67 1gmp n ARG 63 Ca 0.08 -0.26 -0.14 0.00 -1.00 0.00 0.00 57.85 56.53 1gmp n ARG 63 Cb 0.54 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 30.42 1gmp n ARG 63 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1gmp n THR 64 N -1.07 0.00 0.35 8.89 -2.24 -1.26 -5.01 114.28 113.94 1gmp n THR 64 Ca 0.08 -1.16 0.07 0.00 -2.27 0.00 0.00 64.05 60.78 1gmp n THR 64 Cb 0.35 0.33 0.32 0.00 -2.10 0.00 0.00 70.33 69.22 1gmp n THR 64 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1gmp n ARG 65 N -0.52 0.06 0.00 -0.78 1.74 -1.26 -4.83 116.66 111.07 1gmp n ARG 65 Ca -0.06 0.38 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 1gmp n ARG 65 Cb 0.30 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 1gmp n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gmp n GLY 66 N -0.41 0.00 0.14 -0.13 0.00 -1.26 -4.50 105.19 99.04 1gmp n GLY 66 Ca 0.02 -1.00 0.01 0.00 0.00 0.00 0.00 46.02 45.05 1gmp n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gmp n THR 67 N 0.00 0.64 -3.59 2.61 -2.24 -1.26 -4.97 114.28 105.46 1gmp n THR 67 Ca 0.00 -0.82 -0.37 0.00 -2.27 0.00 0.00 64.05 60.59 1gmp n THR 67 Cb 0.00 0.70 -0.07 0.00 -2.10 0.00 0.00 70.33 68.87 1gmp n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1gmp s ARG 68 N -0.72 4.03 0.08 -0.78 0.52 -1.26 -1.13 118.95 119.68 1gmp s ARG 68 Ca 0.05 0.13 -0.11 0.00 -0.52 0.00 0.00 55.73 55.28 1gmp s ARG 68 Cb 0.03 -3.33 0.01 0.00 0.52 0.00 0.00 34.95 32.17 1gmp s ARG 68 CO 0.04 0.44 0.24 1.03 0.02 0.00 0.00 175.30 177.07 1gmp s ARG 69 N -0.16 0.85 -0.12 3.54 1.81 -0.31 -1.32 118.95 123.24 1gmp s ARG 69 Ca 0.18 -0.78 0.00 0.00 -1.72 0.00 0.00 55.73 53.41 1gmp s ARG 69 Cb -0.14 0.35 -0.02 0.00 -0.45 0.00 0.00 34.95 34.70 1gmp s ARG 69 CO 0.06 -0.28 -0.13 0.42 -0.68 0.00 0.00 175.30 174.70 1gmp s ILE 70 N -3.40 3.10 -0.14 1.52 1.01 0.08 -1.43 121.20 121.94 1gmp s ILE 70 Ca 0.01 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 59.99 1gmp s ILE 70 Cb 0.02 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 1gmp s ILE 70 CO -0.09 0.54 -0.08 -0.63 0.00 0.00 0.00 174.94 174.68 1gmp s ILE 71 N 0.15 3.47 0.20 2.92 -1.09 0.54 -0.68 121.20 126.71 1gmp s ILE 71 Ca -0.07 -0.51 0.06 0.00 -2.23 0.00 0.00 60.65 57.91 1gmp s ILE 71 Cb -0.15 -2.49 -0.04 0.00 -1.58 0.00 0.00 42.46 38.20 1gmp s ILE 71 CO 0.05 0.51 0.12 0.00 -1.23 0.00 0.00 174.94 174.39 1gmp s GLY 73 N -3.33 2.75 0.23 0.00 0.00 -0.24 -1.58 107.32 105.14 1gmp s GLY 73 Ca 0.31 -1.11 0.26 0.00 0.00 0.00 0.00 44.72 44.18 1gmp s GLY 73 CO 0.23 -2.11 1.71 0.83 0.00 0.00 0.00 173.10 173.76 1gmp h GLU 74 N 1.36 0.00 -7.37 2.90 5.08 -1.85 -3.43 114.58 111.28 1gmp h GLU 74 Ca -0.43 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.43 1gmp h GLU 74 Cb 1.29 0.00 0.10 0.00 0.50 0.00 0.00 28.75 30.64 1gmp h GLU 74 CO 0.73 0.00 0.35 0.00 -1.00 0.00 0.00 179.01 179.09 1gmp s ALA 75 N -3.12 2.48 0.12 3.43 0.00 -1.26 -4.95 121.76 118.45 1gmp s ALA 75 Ca 0.10 -0.02 -0.31 0.00 0.00 0.00 0.00 51.96 51.72 1gmp s ALA 75 Cb 0.12 -3.15 -0.09 0.00 0.00 0.00 0.00 23.12 20.00 1gmp s ALA 75 CO 0.62 -1.46 1.49 0.95 0.00 0.00 0.00 175.76 177.35 1gmp s THR 76 N -3.08 3.05 -1.25 0.00 -4.23 -1.26 -2.02 115.64 106.85 1gmp s THR 76 Ca 0.59 0.72 0.00 0.00 -1.18 0.00 0.00 61.69 61.82 1gmp s THR 76 Cb -0.14 -3.46 0.00 0.00 1.34 0.00 0.00 72.50 70.24 1gmp s THR 76 CO 0.55 0.05 0.00 0.00 -0.54 0.00 0.00 174.62 174.67 1gmp n GLN 77 N 4.24 -1.45 -2.70 3.99 6.02 -1.26 -4.89 117.38 121.33 1gmp n GLN 77 Ca 0.13 0.89 -0.42 0.00 -0.01 0.00 0.00 57.00 57.59 1gmp n GLN 77 Cb 0.41 -5.19 -0.02 0.00 1.02 0.00 0.00 30.24 26.46 1gmp n GLN 77 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1gmp s GLU 78 N -2.91 3.72 -0.07 -1.09 2.12 -0.86 -4.84 118.70 114.78 1gmp s GLU 78 Ca 0.00 -1.62 0.01 0.00 0.36 0.00 0.00 54.97 53.73 1gmp s GLU 78 Cb 0.00 -5.25 0.02 0.00 0.26 0.00 0.00 34.13 29.16 1gmp s GLU 78 CO 0.00 -2.06 -0.09 -0.51 -0.54 0.00 0.00 175.26 172.06 1gmp s ASP 79 N 4.25 1.62 0.01 -1.70 1.01 -1.26 -1.08 116.67 119.52 1gmp s ASP 79 Ca 0.44 -0.25 0.05 0.00 0.71 0.00 0.00 52.55 53.49 1gmp s ASP 79 Cb -0.01 -0.72 -0.03 0.00 1.01 0.00 0.00 42.92 43.17 1gmp s ASP 79 CO -0.05 -0.02 -0.12 -0.31 0.21 0.00 0.00 175.17 174.88 1gmp s TYR 80 N 0.93 2.73 0.00 4.23 2.02 0.02 -0.76 117.35 126.52 1gmp s TYR 80 Ca -0.10 -0.14 0.03 0.00 -0.37 0.00 0.00 57.07 56.49 1gmp s TYR 80 Cb -0.15 -1.55 -0.03 0.00 -0.40 0.00 0.00 41.96 39.82 1gmp s TYR 80 CO 0.01 0.30 -0.07 -0.47 -1.57 0.00 0.00 175.55 173.74 1gmp s TYR 81 N -0.93 2.87 -0.03 2.71 5.04 0.18 -0.34 117.35 126.86 1gmp s TYR 81 Ca 0.15 -0.05 0.01 0.00 -2.44 0.00 0.00 57.07 54.75 1gmp s TYR 81 Cb -0.11 -1.60 0.01 0.00 0.35 0.00 0.00 41.96 40.61 1gmp s TYR 81 CO 0.06 0.37 -0.05 -0.08 -1.34 0.00 0.00 175.55 174.51 1gmp s THR 82 N -0.99 0.48 -0.97 4.34 -1.32 -0.51 -1.50 115.64 115.17 1gmp s THR 82 Ca 0.17 -0.17 0.09 0.00 -1.21 0.00 0.00 61.69 60.57 1gmp s THR 82 Cb -0.11 -0.47 0.15 0.00 -1.51 0.00 0.00 72.50 70.55 1gmp s THR 82 CO 0.07 0.18 0.97 0.61 -2.21 0.00 0.00 174.62 174.24 1gmp n GLY 83 N 3.56 0.88 2.35 6.08 0.00 -1.26 -1.16 105.19 115.64 1gmp n GLY 83 Ca -0.20 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 1gmp n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gmp n ASP 84 N 0.43 2.95 -3.66 1.61 5.68 -1.23 -4.45 116.55 117.88 1gmp n ASP 84 Ca 0.07 -2.81 -0.22 0.00 -0.50 0.00 0.00 54.79 51.32 1gmp n ASP 84 Cb 0.30 -0.42 0.04 0.00 -1.14 0.00 0.00 41.12 39.90 1gmp n ASP 84 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1gmp n HIS 85 N -0.61 -1.96 -1.05 2.11 -0.00 -0.29 -2.97 115.22 110.46 1gmp n HIS 85 Ca 0.23 0.78 -0.02 0.00 -0.00 0.00 0.00 57.72 58.72 1gmp n HIS 85 Cb 0.88 -4.22 -0.01 0.00 -0.00 0.00 0.00 29.99 26.64 1gmp n HIS 85 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1gmp n TYR 86 N -4.16 0.00 0.01 1.57 4.01 -1.26 -4.92 117.16 112.40 1gmp n TYR 86 Ca -0.25 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.31 1gmp n TYR 86 Cb 0.66 -0.65 -0.11 0.00 -0.31 0.00 0.00 39.34 38.93 1gmp n TYR 86 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1gmp h ALA 87 N 0.00 0.08 -2.85 -0.72 0.00 -1.95 -3.47 119.26 110.35 1gmp h ALA 87 Ca -0.03 -0.58 -0.30 0.00 0.00 0.00 0.00 54.91 54.00 1gmp h ALA 87 Cb 0.20 0.04 -0.19 0.00 0.00 0.00 0.00 17.79 17.83 1gmp h ALA 87 CO 0.05 0.38 -0.73 0.95 0.00 0.00 0.00 179.25 179.90 1gmp s THR 88 N -3.22 0.79 0.04 0.00 -4.23 -1.26 -5.06 115.64 102.69 1gmp s THR 88 Ca -0.13 -1.48 0.01 0.00 -1.18 0.00 0.00 61.69 58.92 1gmp s THR 88 Cb 0.04 -1.14 -0.02 0.00 1.34 0.00 0.00 72.50 72.71 1gmp s THR 88 CO 0.83 -0.52 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.97 1gmp s PHE 89 N -2.19 0.52 0.03 3.99 0.40 -1.26 -4.44 117.98 115.02 1gmp s PHE 89 Ca 0.01 -0.56 0.04 0.00 -0.60 0.00 0.00 56.93 55.82 1gmp s PHE 89 Cb -0.04 -0.33 -0.02 0.00 0.51 0.00 0.00 43.02 43.14 1gmp s PHE 89 CO -0.00 -0.14 -0.12 -1.12 0.70 0.00 0.00 175.22 174.54 1gmp s SER 90 N -1.67 1.39 0.06 1.36 0.01 -0.56 0.06 113.70 114.36 1gmp s SER 90 Ca -0.10 -0.38 -0.30 0.00 1.31 0.00 0.00 55.95 56.47 1gmp s SER 90 Cb -0.08 -0.09 -0.05 0.00 0.21 0.00 0.00 66.02 66.01 1gmp s SER 90 CO -0.01 0.03 0.98 -0.22 0.41 0.00 0.00 173.24 174.43 1gmp s LEU 91 N -0.92 4.44 -0.03 2.44 2.96 -0.49 -0.64 118.68 126.44 1gmp s LEU 91 Ca 0.01 1.75 -0.26 0.00 -0.22 0.00 0.00 54.13 55.40 1gmp s LEU 91 Cb -0.07 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.01 1gmp s LEU 91 CO 0.01 -0.16 0.83 -0.63 -1.32 0.00 0.00 176.35 175.07 1gmp s ILE 92 N 0.45 4.94 -0.43 6.68 1.01 0.06 -0.55 121.20 133.37 1gmp s ILE 92 Ca 0.49 1.73 -0.15 0.00 0.00 0.00 0.00 60.65 62.73 1gmp s ILE 92 Cb -0.23 -4.17 0.03 0.00 0.01 0.00 0.00 42.46 38.11 1gmp s ILE 92 CO 0.29 0.22 0.33 -0.62 0.00 0.00 0.00 174.94 175.16 1gmp s ASP 93 N 0.83 6.12 0.00 3.58 -1.08 0.98 -4.79 116.67 122.32 1gmp s ASP 93 Ca 0.44 -1.00 0.32 0.00 -0.52 0.00 0.00 52.55 51.79 1gmp s ASP 93 Cb -0.19 -2.17 1.89 0.00 -1.46 0.00 0.00 42.92 40.99 1gmp s ASP 93 CO 0.23 -0.51 2.22 0.00 0.52 0.00 0.00 175.17 177.63 1gmp n GLN 94 N 5.20 0.99 0.00 4.34 6.02 -1.26 -1.08 117.38 131.59 1gmp n GLN 94 Ca -0.11 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.00 1gmp n GLN 94 Cb 0.46 -1.50 0.18 0.00 1.02 0.00 0.00 30.24 30.40 1gmp n GLN 94 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1gmp n THR 95 N -1.00 0.00 -0.76 5.09 -2.24 -1.26 -4.87 114.28 109.24 1gmp n THR 95 Ca 0.24 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1gmp n THR 95 Cb 0.11 1.19 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 1gmp n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50