#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gpq s VAL 2 N 0.00 3.65 0.56 3.15 1.01 -1.26 -0.61 120.40 126.90 1gpq s VAL 2 Ca 0.00 -0.69 -0.15 0.00 0.00 0.00 0.00 61.98 61.15 1gpq s VAL 2 Cb 0.00 -2.83 -0.06 0.00 0.00 0.00 0.00 36.38 33.49 1gpq s VAL 2 CO 0.00 0.19 1.01 -0.36 0.00 0.00 0.00 175.10 175.94 1gpq s PHE 3 N 1.47 3.42 0.42 5.22 0.40 0.06 -5.00 117.98 123.96 1gpq s PHE 3 Ca 0.03 1.43 -0.06 0.00 -0.60 0.00 0.00 56.93 57.73 1gpq s PHE 3 Cb -0.16 -2.81 -0.05 0.00 0.51 0.00 0.00 43.02 40.52 1gpq s PHE 3 CO 0.00 -0.58 0.72 0.20 0.70 0.00 0.00 175.22 176.27 1gpq s GLY 4 N -3.33 1.65 0.08 4.36 0.00 -1.26 -4.84 107.32 103.98 1gpq s GLY 4 Ca 0.58 -0.47 -0.36 0.00 0.00 0.00 0.00 44.72 44.47 1gpq s GLY 4 CO 0.38 -0.32 1.56 -0.09 0.00 0.00 0.00 173.10 174.64 1gpq h ARG 5 N 0.76 -1.00 0.00 2.90 2.43 -1.97 0.56 114.38 118.06 1gpq h ARG 5 Ca -0.47 0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 58.71 1gpq h ARG 5 Cb 1.20 0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.97 1gpq h ARG 5 CO 0.63 -0.67 -0.28 0.00 -1.51 0.00 0.00 179.97 178.14 1gpq h GLU 7 N 0.00 0.69 -0.51 0.00 4.81 -1.84 -1.69 114.58 116.04 1gpq h GLU 7 Ca -0.00 -0.13 -0.11 0.00 -0.13 0.00 0.00 59.36 58.99 1gpq h GLU 7 Cb 0.53 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1gpq h GLU 7 CO 0.04 0.63 -0.12 1.25 -0.73 0.00 0.00 179.01 180.08 1gpq h LEU 8 N 0.60 0.99 -0.43 1.64 5.85 -0.32 -2.44 115.31 121.20 1gpq h LEU 8 Ca 0.15 -0.36 0.05 0.00 0.84 0.00 0.00 57.88 58.56 1gpq h LEU 8 Cb 0.20 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1gpq h LEU 8 CO -0.01 1.11 0.18 0.00 -0.34 0.00 0.00 178.44 179.39 1gpq h ALA 9 N 0.90 0.53 -0.77 1.25 0.00 -0.94 0.18 119.26 120.42 1gpq h ALA 9 Ca 0.13 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1gpq h ALA 9 Cb 0.68 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1gpq h ALA 9 CO 0.05 -0.19 0.41 0.00 0.00 0.00 0.00 179.25 179.52 1gpq h ALA 10 N 1.26 0.99 -0.49 0.00 0.00 -1.22 -0.26 119.26 119.54 1gpq h ALA 10 Ca 0.20 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1gpq h ALA 10 Cb 0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1gpq h ALA 10 CO -0.17 0.51 -0.18 0.00 0.00 0.00 0.00 179.25 179.41 1gpq h ALA 11 N 1.21 0.76 -0.35 0.00 0.00 -0.87 -1.21 119.26 118.80 1gpq h ALA 11 Ca 0.27 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1gpq h ALA 11 Cb 0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1gpq h ALA 11 CO -0.04 0.67 -0.16 0.52 0.00 0.00 0.00 179.25 180.23 1gpq h MET 12 N 0.84 0.64 -0.26 0.00 2.86 -0.27 -1.27 114.93 117.47 1gpq h MET 12 Ca 0.12 -0.22 -0.04 0.00 -2.06 0.00 0.00 59.70 57.50 1gpq h MET 12 Cb 0.74 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 1gpq h MET 12 CO 0.06 0.77 -0.00 -0.22 1.06 0.00 0.00 176.91 178.58 1gpq h LYS 13 N 0.58 0.46 0.00 1.72 3.64 -0.83 -2.12 116.57 120.02 1gpq h LYS 13 Ca 0.09 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1gpq h LYS 13 Cb 0.61 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1gpq h LYS 13 CO 0.04 0.63 -0.03 0.00 -2.27 0.00 0.00 179.45 177.82 1gpq h ARG 14 N 0.24 0.00 -0.19 1.90 2.47 -1.01 -1.21 114.38 116.58 1gpq h ARG 14 Ca 0.07 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 1gpq h ARG 14 Cb 0.42 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 1gpq h ARG 14 CO 0.01 0.03 0.00 0.72 0.56 0.00 0.00 179.97 181.30 1gpq n HIS 15 N -4.01 0.25 -0.91 3.04 8.25 -0.50 -4.93 115.22 116.40 1gpq n HIS 15 Ca -0.03 -0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 1gpq n HIS 15 Cb 0.12 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.23 1gpq n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1gpq n GLY 16 N 1.01 0.45 0.17 -1.41 0.00 -0.45 -4.96 105.19 99.98 1gpq n GLY 16 Ca 0.13 -0.88 0.12 0.00 0.00 0.00 0.00 46.02 45.39 1gpq n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1gpq h LEU 17 N 0.00 0.00 -9.24 0.99 3.38 -1.60 -3.40 115.31 105.44 1gpq h LEU 17 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1gpq h LEU 17 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1gpq h LEU 17 CO 0.00 0.01 1.22 -0.62 0.09 0.00 0.00 178.44 179.15 1gpq s ASP 18 N -5.81 6.34 -0.78 -0.43 2.15 -1.26 -1.51 116.67 115.38 1gpq s ASP 18 Ca 0.03 2.32 0.00 0.00 0.43 0.00 0.00 52.55 55.33 1gpq s ASP 18 Cb 0.07 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1gpq s ASP 18 CO 0.73 -1.18 0.00 0.59 -0.17 0.00 0.00 175.17 175.13 1gpq n ASN 19 N 8.18 -4.60 -4.68 -0.34 3.02 0.25 -4.85 115.26 112.24 1gpq n ASN 19 Ca 0.21 0.18 -0.42 0.00 -0.03 0.00 0.00 54.58 54.51 1gpq n ASN 19 Cb 0.43 -2.74 -0.03 0.00 -0.61 0.00 0.00 39.78 36.83 1gpq n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1gpq s TYR 20 N -2.03 2.57 -1.77 3.10 5.04 -0.57 -1.49 117.35 122.20 1gpq s TYR 20 Ca 0.00 0.57 0.00 0.00 -2.44 0.00 0.00 57.07 55.20 1gpq s TYR 20 Cb 0.00 -3.79 0.00 0.00 0.35 0.00 0.00 41.96 38.52 1gpq s TYR 20 CO 0.00 -3.09 0.00 0.54 -1.34 0.00 0.00 175.55 171.66 1gpq n ARG 21 N 5.78 -1.70 -0.82 4.97 5.12 -1.26 -1.64 116.66 127.11 1gpq n ARG 21 Ca 0.15 1.00 0.00 0.00 -1.93 0.00 0.00 57.85 57.07 1gpq n ARG 21 Cb 0.43 -5.61 0.00 0.00 -1.16 0.00 0.00 32.46 26.11 1gpq n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1gpq n GLY 22 N -0.89 0.71 3.48 -0.13 0.00 -0.56 -5.02 105.19 102.78 1gpq n GLY 22 Ca -0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 1gpq n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gpq s TYR 23 N -2.64 3.24 0.79 1.61 2.02 -0.65 -4.87 117.35 116.84 1gpq s TYR 23 Ca 0.00 -0.46 -0.14 0.00 -0.37 0.00 0.00 57.07 56.10 1gpq s TYR 23 Cb 0.00 -2.55 0.07 0.00 -0.40 0.00 0.00 41.96 39.08 1gpq s TYR 23 CO 0.00 -0.51 1.20 -1.54 -1.57 0.00 0.00 175.55 173.13 1gpq s SER 24 N 1.69 3.76 0.32 2.29 1.04 -1.26 -0.58 113.70 120.96 1gpq s SER 24 Ca 0.05 2.35 0.10 0.00 0.48 0.00 0.00 55.95 58.93 1gpq s SER 24 Cb -0.18 -2.59 0.95 0.00 0.10 0.00 0.00 66.02 64.30 1gpq s SER 24 CO 0.10 -2.55 1.65 0.25 0.98 0.00 0.00 173.24 173.67 1gpq h LEU 25 N -0.77 0.27 -1.75 2.42 5.85 -1.89 -1.17 115.31 118.27 1gpq h LEU 25 Ca -0.46 0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.53 1gpq h LEU 25 Cb 1.29 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.51 1gpq h LEU 25 CO 0.47 -0.17 0.30 1.23 -0.34 0.00 0.00 178.44 179.93 1gpq h GLY 26 N 0.25 0.38 1.06 3.75 0.00 -1.91 -1.48 103.07 105.13 1gpq h GLY 26 Ca 0.67 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.86 1gpq h GLY 26 CO -0.65 0.09 0.49 3.43 0.00 0.00 0.00 176.54 179.89 1gpq h ASN 27 N 0.30 1.10 -0.03 0.19 2.35 -1.45 0.07 115.58 118.10 1gpq h ASN 27 Ca 0.20 -0.09 -0.23 0.00 -0.55 0.00 0.00 56.30 55.62 1gpq h ASN 27 Cb 0.41 -0.28 0.01 0.00 0.05 0.00 0.00 38.32 38.51 1gpq h ASN 27 CO -0.04 0.88 -0.87 -0.50 -1.65 0.00 0.00 177.43 175.25 1gpq h TRP 28 N 1.23 0.99 -0.20 1.19 4.06 -1.41 -1.19 115.95 120.62 1gpq h TRP 28 Ca 0.31 -0.47 -0.03 0.00 2.06 0.00 0.00 58.89 60.76 1gpq h TRP 28 Cb 0.02 -0.14 -0.01 0.00 -1.00 0.00 0.00 29.16 28.04 1gpq h TRP 28 CO 0.01 1.30 0.02 0.28 -3.56 0.00 0.00 178.44 176.49 1gpq h VAL 29 N 0.45 1.23 -0.70 1.49 2.07 -1.30 -1.98 116.25 117.53 1gpq h VAL 29 Ca -0.08 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.68 1gpq h VAL 29 Cb 1.50 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 32.60 1gpq h VAL 29 CO 0.17 0.24 0.46 0.00 0.02 0.00 0.00 177.57 178.46 1gpq h ALA 31 N 1.26 0.66 -0.38 0.00 0.00 -1.10 -1.76 119.26 117.94 1gpq h ALA 31 Ca 0.26 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1gpq h ALA 31 Cb -0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1gpq h ALA 31 CO -0.07 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.30 1gpq h ALA 32 N 1.19 1.29 -0.54 0.00 0.00 -0.97 -0.08 119.26 120.15 1gpq h ALA 32 Ca 0.19 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1gpq h ALA 32 Cb -0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1gpq h ALA 32 CO -0.04 0.48 0.35 -0.22 0.00 0.00 0.00 179.25 179.82 1gpq h LYS 33 N 0.58 0.70 -0.00 0.00 1.63 -0.24 -1.33 116.57 117.90 1gpq h LYS 33 Ca 0.12 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 1gpq h LYS 33 Cb 0.36 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 1gpq h LYS 33 CO 0.01 0.46 -0.60 1.19 -3.45 0.00 0.00 179.45 177.07 1gpq n PHE 34 N -4.72 0.00 -0.00 1.91 3.72 -0.80 -1.45 117.46 116.12 1gpq n PHE 34 Ca 0.03 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.25 1gpq n PHE 34 Cb 0.03 -0.19 -0.14 0.00 -0.94 0.00 0.00 39.48 38.24 1gpq n PHE 34 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1gpq n GLU 35 N -1.44 0.73 0.00 -1.08 -0.58 -0.06 -4.76 120.64 113.44 1gpq n GLU 35 Ca 0.06 0.27 0.00 0.00 -0.42 0.00 0.00 57.16 57.07 1gpq n GLU 35 Cb 0.34 -1.73 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 1gpq n GLU 35 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1gpq n SER 36 N -3.37 0.00 -3.98 1.62 3.41 -0.57 -4.83 113.62 105.90 1gpq n SER 36 Ca -0.28 -1.00 -0.31 0.00 -0.26 0.00 0.00 58.87 57.02 1gpq n SER 36 Cb 1.05 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 65.01 1gpq n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1gpq n ASN 37 N 0.00 -4.22 -1.30 4.04 2.85 -0.53 -2.19 115.26 113.91 1gpq n ASN 37 Ca 0.00 -0.84 -0.13 0.00 -0.11 0.00 0.00 54.58 53.50 1gpq n ASN 37 Cb 0.26 -3.61 -0.03 0.00 1.24 0.00 0.00 39.78 37.65 1gpq n ASN 37 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1gpq n PHE 38 N -4.60 -0.36 -3.58 1.20 3.72 -1.16 -4.80 117.46 107.90 1gpq n PHE 38 Ca 0.03 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.03 1gpq n PHE 38 Cb 0.53 -2.69 -0.11 0.00 -0.94 0.00 0.00 39.48 36.27 1gpq n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1gpq s ASN 39 N -2.60 5.89 0.59 4.37 3.84 -0.93 -0.76 114.94 125.33 1gpq s ASN 39 Ca 0.00 -0.42 0.38 0.00 0.21 0.00 0.00 52.86 53.03 1gpq s ASN 39 Cb 0.00 -2.09 1.81 0.00 -0.55 0.00 0.00 41.25 40.42 1gpq s ASN 39 CO 0.00 -0.21 2.13 0.71 -2.79 0.00 0.00 177.10 176.95 1gpq h THR 40 N 5.54 0.00 -0.23 -5.21 1.35 -1.17 -2.91 112.91 110.28 1gpq h THR 40 Ca -0.32 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1gpq h THR 40 Cb 1.16 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 1gpq h THR 40 CO 0.62 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.89 1gpq n GLN 41 N -3.03 2.28 -1.69 4.72 6.02 -1.26 -4.00 117.38 120.42 1gpq n GLN 41 Ca -0.01 -1.90 -0.43 0.00 -0.01 0.00 0.00 57.00 54.65 1gpq n GLN 41 Cb 0.19 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 29.96 1gpq n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1gpq n ALA 42 N 1.17 1.18 -3.34 -1.58 0.00 -1.10 -4.73 120.51 112.11 1gpq n ALA 42 Ca 0.17 0.37 -0.13 0.00 0.00 0.00 0.00 53.44 53.85 1gpq n ALA 42 Cb 0.54 -2.25 -0.15 0.00 0.00 0.00 0.00 19.45 17.60 1gpq n ALA 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1gpq s THR 43 N -0.85 -0.03 -0.13 0.00 2.01 -1.26 -0.38 115.64 115.00 1gpq s THR 43 Ca 0.58 0.11 -0.01 0.00 0.31 0.00 0.00 61.69 62.68 1gpq s THR 43 Cb -0.59 -0.09 0.04 0.00 0.01 0.00 0.00 72.50 71.87 1gpq s THR 43 CO 0.59 0.04 -0.02 0.21 -0.69 0.00 0.00 174.62 174.76 1gpq s ASN 44 N 0.56 2.34 0.18 3.53 3.04 -0.37 -4.97 114.94 119.26 1gpq s ASN 44 Ca -0.05 -0.46 -0.30 0.00 0.04 0.00 0.00 52.86 52.10 1gpq s ASN 44 Cb -0.06 -0.67 -0.08 0.00 -1.54 0.00 0.00 41.25 38.90 1gpq s ASN 44 CO -0.02 -0.21 0.99 -0.13 -3.04 0.00 0.00 177.10 174.69 1gpq s ARG 45 N 1.81 4.74 0.19 0.43 1.81 -1.26 -0.60 118.95 126.07 1gpq s ARG 45 Ca 0.02 1.54 0.07 0.00 -1.72 0.00 0.00 55.73 55.64 1gpq s ARG 45 Cb -0.14 -3.31 -0.04 0.00 -0.45 0.00 0.00 34.95 31.01 1gpq s ARG 45 CO -0.07 0.31 0.04 -0.80 -0.68 0.00 0.00 175.30 174.10 1gpq s ASN 46 N -0.53 4.92 0.51 0.23 0.01 0.12 -4.96 114.94 115.24 1gpq s ASN 46 Ca 0.45 -0.38 0.18 0.00 -0.71 0.00 0.00 52.86 52.40 1gpq s ASN 46 Cb -0.26 -1.09 1.29 0.00 0.41 0.00 0.00 41.25 41.60 1gpq s ASN 46 CO 0.32 0.06 2.12 0.71 -1.51 0.00 0.00 177.10 178.81 1gpq h THR 47 N 2.23 0.95 0.00 1.60 1.35 -1.97 -2.15 112.91 114.91 1gpq h THR 47 Ca -0.47 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1gpq h THR 47 Cb 1.21 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 1gpq h THR 47 CO 0.59 0.05 0.00 -0.90 -0.25 0.00 0.00 175.52 175.01 1gpq n ASP 48 N -4.36 0.00 0.00 5.36 3.85 -1.26 -4.86 116.55 115.29 1gpq n ASP 48 Ca -0.03 -1.34 0.00 0.00 -0.71 0.00 0.00 54.79 52.71 1gpq n ASP 48 Cb 0.13 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.90 1gpq n ASP 48 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1gpq n GLY 49 N 0.52 0.87 3.97 6.12 0.00 -0.81 -4.93 105.19 110.93 1gpq n GLY 49 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 1gpq n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gpq s SER 50 N -2.70 5.23 0.01 1.61 1.04 -1.26 -4.61 113.70 113.02 1gpq s SER 50 Ca 0.00 -0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.41 1gpq s SER 50 Cb 0.00 -0.82 -0.01 0.00 0.10 0.00 0.00 66.02 65.29 1gpq s SER 50 CO 0.00 -1.18 -0.04 -0.89 0.98 0.00 0.00 173.24 172.11 1gpq s THR 51 N -2.78 0.29 -0.11 2.02 2.01 -1.26 -0.70 115.64 115.11 1gpq s THR 51 Ca 0.58 -0.50 -0.12 0.00 0.31 0.00 0.00 61.69 61.95 1gpq s THR 51 Cb -0.10 -0.31 -0.05 0.00 0.01 0.00 0.00 72.50 72.05 1gpq s THR 51 CO 0.39 -0.14 0.29 -1.81 -0.69 0.00 0.00 174.62 172.65 1gpq s ASP 52 N -0.69 6.53 -0.02 3.53 1.01 0.23 -1.07 116.67 126.19 1gpq s ASP 52 Ca -0.05 0.62 0.06 0.00 0.71 0.00 0.00 52.55 53.90 1gpq s ASP 52 Cb -0.05 -2.17 -0.01 0.00 1.01 0.00 0.00 42.92 41.69 1gpq s ASP 52 CO -0.00 0.24 -0.22 -0.31 0.21 0.00 0.00 175.17 175.09 1gpq s TYR 53 N -0.33 1.97 0.00 4.23 1.51 0.29 -1.24 117.35 123.78 1gpq s TYR 53 Ca 0.18 -0.41 0.00 0.00 -1.01 0.00 0.00 57.07 55.83 1gpq s TYR 53 Cb -0.14 -1.27 0.00 0.00 -0.11 0.00 0.00 41.96 40.44 1gpq s TYR 53 CO 0.06 -0.06 0.00 0.41 -1.11 0.00 0.00 175.55 174.85 1gpq n GLY 54 N 2.64 -2.14 0.30 0.71 0.00 0.48 -1.39 105.19 105.80 1gpq n GLY 54 Ca -0.16 -1.45 0.13 0.00 0.00 0.00 0.00 46.02 44.54 1gpq n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1gpq h ILE 55 N -0.01 0.76 -0.24 -0.61 2.10 -1.69 -1.26 117.51 116.56 1gpq h ILE 55 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1gpq h ILE 55 Cb 0.01 0.93 0.00 0.00 -1.09 0.00 0.00 36.82 36.66 1gpq h ILE 55 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 1gpq n LEU 56 N -4.23 3.24 -4.02 2.19 4.77 -1.26 -4.11 117.00 113.57 1gpq n LEU 56 Ca -0.00 -2.60 -0.45 0.00 -0.03 0.00 0.00 56.01 52.93 1gpq n LEU 56 Cb 0.21 -0.38 0.02 0.00 -2.33 0.00 0.00 43.42 40.95 1gpq n LEU 56 CO 0.32 0.68 -0.15 0.00 -1.33 0.00 0.00 177.39 176.91 1gpq n GLN 57 N -0.28 -0.37 -2.79 3.23 1.13 -0.48 -4.91 117.38 112.91 1gpq n GLN 57 Ca 0.16 0.13 -0.41 0.00 -1.94 0.00 0.00 57.00 54.93 1gpq n GLN 57 Cb 0.66 -2.72 -0.04 0.00 0.11 0.00 0.00 30.24 28.25 1gpq n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1gpq s ILE 58 N -3.51 4.79 0.25 5.09 1.01 -0.49 -4.41 121.20 123.93 1gpq s ILE 58 Ca 0.49 1.93 -0.28 0.00 0.00 0.00 0.00 60.65 62.78 1gpq s ILE 58 Cb -0.26 -4.26 -0.09 0.00 0.01 0.00 0.00 42.46 37.86 1gpq s ILE 58 CO 0.96 0.24 0.92 0.21 0.00 0.00 0.00 174.94 177.26 1gpq s ASN 59 N 0.61 7.55 0.00 3.58 3.84 -1.26 -0.55 114.94 128.71 1gpq s ASN 59 Ca 0.47 1.88 0.29 0.00 0.21 0.00 0.00 52.86 55.71 1gpq s ASN 59 Cb -0.21 -2.59 1.34 0.00 -0.55 0.00 0.00 41.25 39.24 1gpq s ASN 59 CO 0.26 0.12 1.96 -1.54 -2.79 0.00 0.00 177.10 175.11 1gpq n SER 60 N 1.31 0.00 -0.01 -4.21 3.41 -0.23 -1.99 113.62 111.90 1gpq n SER 60 Ca -0.02 0.19 -0.17 0.00 -0.26 0.00 0.00 58.87 58.61 1gpq n SER 60 Cb 0.48 -0.39 -0.10 0.00 -0.26 0.00 0.00 64.21 63.93 1gpq n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1gpq h ARG 61 N 0.00 0.42 0.00 4.33 9.65 -1.84 -3.41 114.38 123.53 1gpq h ARG 61 Ca 0.00 -0.41 -0.20 0.00 -1.10 0.00 0.00 59.98 58.27 1gpq h ARG 61 Cb 0.38 0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 29.03 1gpq h ARG 61 CO 0.00 1.07 -1.74 0.91 2.80 0.00 0.00 179.97 183.01 1gpq n TRP 62 N -4.25 0.00 -0.13 2.20 5.03 -1.25 -1.37 117.44 117.68 1gpq n TRP 62 Ca -0.10 0.00 -0.20 0.00 3.03 0.00 0.00 57.50 60.24 1gpq n TRP 62 Cb 0.64 -0.53 -0.12 0.00 -1.03 0.00 0.00 31.31 30.27 1gpq n TRP 62 CO 0.00 0.00 0.00 0.91 -0.03 0.00 0.00 177.69 178.57 1gpq n TRP 63 N -2.53 0.02 -4.38 -5.99 7.02 -0.84 -0.62 117.44 110.12 1gpq n TRP 63 Ca -0.19 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.10 1gpq n TRP 63 Cb 0.82 -1.00 -0.10 0.00 -2.42 0.00 0.00 31.31 28.61 1gpq n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1gpq s ASN 65 N -3.37 5.44 0.00 0.00 2.47 -0.39 -4.51 114.94 114.58 1gpq s ASN 65 Ca 0.26 -0.29 0.12 0.00 0.42 0.00 0.00 52.86 53.38 1gpq s ASN 65 Cb 0.02 -1.99 0.32 0.00 -1.45 0.00 0.00 41.25 38.16 1gpq s ASN 65 CO 0.09 -0.10 1.24 -0.90 -3.72 0.00 0.00 177.10 173.72 1gpq n ASP 66 N 4.97 2.94 0.00 -4.21 5.68 -1.26 -1.03 116.55 123.63 1gpq n ASP 66 Ca -0.15 -1.94 0.00 0.00 -0.50 0.00 0.00 54.79 52.20 1gpq n ASP 66 Cb 0.51 -0.23 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 1gpq n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1gpq n GLY 67 N 0.68 0.25 0.36 6.12 0.00 -1.26 -4.75 105.19 106.60 1gpq n GLY 67 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1gpq n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1gpq n ARG 68 N -1.06 0.00 -3.92 1.61 1.85 -1.26 -5.04 116.66 108.83 1gpq n ARG 68 Ca 0.00 -0.83 -0.35 0.00 -1.00 0.00 0.00 57.85 55.67 1gpq n ARG 68 Cb 0.19 -0.48 -0.14 0.00 -1.05 0.00 0.00 32.46 30.98 1gpq n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1gpq s THR 69 N 0.00 3.05 0.37 8.89 2.01 -1.26 -4.90 115.64 123.79 1gpq s THR 69 Ca 0.00 -1.02 -0.28 0.00 0.31 0.00 0.00 61.69 60.70 1gpq s THR 69 Cb 0.00 -2.58 -0.10 0.00 0.01 0.00 0.00 72.50 69.83 1gpq s THR 69 CO 0.00 0.14 1.41 -2.16 -0.69 0.00 0.00 174.62 173.32 1gpq s PRO 70 N 1.34 4.15 0.00 4.92 0.04 -1.26 -2.71 135.00 141.48 1gpq s PRO 70 Ca -0.00 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.46 1gpq s PRO 70 Cb -0.17 -2.96 0.00 0.00 0.04 0.00 0.00 34.50 31.41 1gpq s PRO 70 CO -0.03 -0.44 0.00 0.41 0.04 0.00 0.00 177.00 176.98 1gpq n GLY 71 N 0.59 0.48 3.63 0.56 0.00 -1.26 -4.96 105.19 104.23 1gpq n GLY 71 Ca 0.01 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.50 1gpq n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1gpq n SER 72 N -0.14 2.02 0.03 1.61 2.88 -1.10 -4.87 113.62 114.05 1gpq n SER 72 Ca 0.00 1.10 0.11 0.00 -1.33 0.00 0.00 58.87 58.75 1gpq n SER 72 Cb 0.07 -1.20 -0.09 0.00 -0.75 0.00 0.00 64.21 62.24 1gpq n SER 72 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1gpq n ARG 73 N 3.49 0.53 -4.08 -1.46 1.74 -0.47 -5.00 116.66 111.41 1gpq n ARG 73 Ca 0.21 -0.07 -0.36 0.00 -0.77 0.00 0.00 57.85 56.86 1gpq n ARG 73 Cb 0.19 -1.61 -0.02 0.00 -1.02 0.00 0.00 32.46 29.99 1gpq n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1gpq n ASN 74 N -2.26 -1.94 0.08 0.55 5.15 -1.05 -4.84 115.26 110.95 1gpq n ASN 74 Ca -0.01 -1.20 0.09 0.00 -0.60 0.00 0.00 54.58 52.86 1gpq n ASN 74 Cb 0.52 -2.12 0.41 0.00 -0.53 0.00 0.00 39.78 38.06 1gpq n ASN 74 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1gpq n LEU 75 N -4.68 0.39 -0.59 1.20 4.77 0.21 -1.83 117.00 116.48 1gpq n LEU 75 Ca -0.22 0.60 0.11 0.00 -0.03 0.00 0.00 56.01 56.48 1gpq n LEU 75 Cb 0.63 -0.56 0.02 0.00 -2.33 0.00 0.00 43.42 41.18 1gpq n LEU 75 CO 0.77 -0.47 0.37 0.00 -1.33 0.00 0.00 177.39 176.73 1gpq n ASN 77 N 0.28 -4.36 -3.71 0.00 5.15 -0.76 -4.97 115.26 106.89 1gpq n ASN 77 Ca 0.10 -1.01 -0.14 0.00 -0.60 0.00 0.00 54.58 52.93 1gpq n ASN 77 Cb 0.48 -3.33 -0.09 0.00 -0.53 0.00 0.00 39.78 36.31 1gpq n ASN 77 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1gpq s ILE 78 N -3.55 0.02 0.40 -1.44 1.10 -1.26 -5.07 121.20 111.40 1gpq s ILE 78 Ca 0.38 -0.14 -0.24 0.00 -0.51 0.00 0.00 60.65 60.15 1gpq s ILE 78 Cb -0.14 -0.65 -0.09 0.00 0.15 0.00 0.00 42.46 41.73 1gpq s ILE 78 CO 0.87 -0.08 1.06 -2.16 -2.11 0.00 0.00 174.94 172.52 1gpq s PRO 79 N -0.36 4.16 0.55 3.50 0.04 -1.26 -1.26 135.00 140.37 1gpq s PRO 79 Ca -0.05 1.55 0.28 0.00 0.04 0.00 0.00 61.00 62.81 1gpq s PRO 79 Cb -0.03 -2.56 1.59 0.00 0.04 0.00 0.00 34.50 33.54 1gpq s PRO 79 CO 0.03 -0.16 2.15 0.00 0.04 0.00 0.00 177.00 179.06 1gpq h SER 81 N 0.00 0.00 0.89 0.00 4.64 -1.91 -0.80 113.55 116.37 1gpq h SER 81 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1gpq h SER 81 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1gpq h SER 81 CO 0.01 0.07 0.00 0.00 -0.87 0.00 0.00 176.83 176.04 1gpq h ALA 82 N 1.93 1.00 -0.13 5.18 0.00 -1.48 -2.28 119.26 123.48 1gpq h ALA 82 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1gpq h ALA 82 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1gpq h ALA 82 CO 0.01 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.54 1gpq n LEU 83 N -2.66 1.46 -1.03 0.00 4.77 -0.31 -3.79 117.00 115.44 1gpq n LEU 83 Ca 0.01 -0.60 0.08 0.00 -0.03 0.00 0.00 56.01 55.47 1gpq n LEU 83 Cb 0.27 -0.08 0.25 0.00 -2.33 0.00 0.00 43.42 41.53 1gpq n LEU 83 CO 0.24 0.30 0.71 0.18 -1.33 0.00 0.00 177.39 177.49 1gpq n LEU 84 N 0.18 3.77 -4.83 2.23 4.77 -0.86 -3.93 117.00 118.33 1gpq n LEU 84 Ca 0.16 -2.38 -0.31 0.00 -0.03 0.00 0.00 56.01 53.45 1gpq n LEU 84 Cb 0.30 -0.43 0.04 0.00 -2.33 0.00 0.00 43.42 41.00 1gpq n LEU 84 CO 0.13 0.76 0.71 -0.55 -1.33 0.00 0.00 177.39 177.11 1gpq s SER 85 N -1.20 5.63 0.48 -1.43 0.15 -1.25 -4.45 113.70 111.63 1gpq s SER 85 Ca 0.38 1.57 0.27 0.00 0.70 0.00 0.00 55.95 58.87 1gpq s SER 85 Cb 0.24 -2.49 1.01 0.00 -1.71 0.00 0.00 66.02 63.08 1gpq s SER 85 CO 0.18 -1.28 1.86 0.77 1.20 0.00 0.00 173.24 175.97 1gpq h SER 86 N -0.56 0.00 -3.14 5.45 4.64 -1.95 -3.42 113.55 114.58 1gpq h SER 86 Ca -0.44 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.29 1gpq h SER 86 Cb 1.20 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.25 1gpq h SER 86 CO 0.58 0.13 -0.12 -1.81 -0.87 0.00 0.00 176.83 174.75 1gpq s ASP 87 N -6.02 6.93 0.00 4.97 1.11 -1.26 -4.98 116.67 117.42 1gpq s ASP 87 Ca 0.01 1.11 0.25 0.00 0.18 0.00 0.00 52.55 54.10 1gpq s ASP 87 Cb 0.09 -2.31 1.15 0.00 1.07 0.00 0.00 42.92 42.92 1gpq s ASP 87 CO 0.61 0.28 1.78 2.30 1.18 0.00 0.00 175.17 181.32 1gpq n ILE 88 N 1.88 0.06 -0.11 0.77 -5.35 -1.26 -4.54 119.36 110.81 1gpq n ILE 88 Ca -0.12 -0.19 -0.07 0.00 -0.27 0.00 0.00 62.75 62.10 1gpq n ILE 88 Cb 0.51 0.15 -0.00 0.00 -1.74 0.00 0.00 39.64 38.56 1gpq n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1gpq h THR 89 N 1.51 0.31 -0.92 7.28 2.02 -1.94 -0.47 112.91 120.70 1gpq h THR 89 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1gpq h THR 89 Cb 0.32 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.00 1gpq h THR 89 CO 0.00 0.00 0.57 0.00 0.37 0.00 0.00 175.52 176.46 1gpq h ALA 90 N 0.92 1.17 -0.52 6.16 0.00 -1.83 -0.33 119.26 124.83 1gpq h ALA 90 Ca 0.18 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1gpq h ALA 90 Cb 0.49 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1gpq h ALA 90 CO -0.50 0.60 -0.03 0.77 0.00 0.00 0.00 179.25 180.09 1gpq h SER 91 N 1.26 0.88 -0.22 0.00 0.02 -1.66 -1.74 113.55 112.09 1gpq h SER 91 Ca 0.33 -0.24 -0.06 0.00 -0.84 0.00 0.00 61.79 60.98 1gpq h SER 91 Cb -0.09 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.21 1gpq h SER 91 CO -0.07 0.96 -0.08 0.58 -1.14 0.00 0.00 176.83 177.08 1gpq h VAL 92 N 0.83 1.30 -0.82 2.27 2.07 -0.55 0.57 116.25 121.91 1gpq h VAL 92 Ca 0.15 -1.12 0.06 0.00 0.82 0.00 0.00 66.70 66.60 1gpq h VAL 92 Cb 0.53 1.57 -0.06 0.00 -1.52 0.00 0.00 31.29 31.82 1gpq h VAL 92 CO 0.03 0.34 0.51 0.78 0.02 0.00 0.00 177.57 179.25 1gpq h ASN 93 N 0.16 0.80 -0.15 0.57 -0.26 -0.93 -0.69 115.58 115.08 1gpq h ASN 93 Ca 0.05 0.01 -0.20 0.00 -0.56 0.00 0.00 56.30 55.61 1gpq h ASN 93 Cb 0.56 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.67 1gpq h ASN 93 CO 0.03 0.52 -0.65 0.00 -1.06 0.00 0.00 177.43 176.27 1gpq h ALA 95 N 0.70 1.50 -0.52 0.00 0.00 -0.23 -0.82 119.26 119.90 1gpq h ALA 95 Ca -0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1gpq h ALA 95 Cb 1.25 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1gpq h ALA 95 CO 0.13 0.45 0.10 0.87 0.00 0.00 0.00 179.25 180.81 1gpq h LYS 96 N 0.98 0.80 -0.35 0.00 1.57 -1.03 -0.66 116.57 117.87 1gpq h LYS 96 Ca 0.28 -0.17 -0.14 0.00 -1.87 0.00 0.00 60.65 58.75 1gpq h LYS 96 Cb -0.06 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1gpq h LYS 96 CO -0.07 0.74 -0.33 0.87 -0.57 0.00 0.00 179.45 180.09 1gpq h LYS 97 N 0.77 0.84 -0.44 3.15 1.57 -1.16 -2.97 116.57 118.32 1gpq h LYS 97 Ca 0.17 -0.44 -0.03 0.00 -1.87 0.00 0.00 60.65 58.48 1gpq h LYS 97 Cb 0.32 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1gpq h LYS 97 CO 0.00 1.08 0.17 0.82 -0.57 0.00 0.00 179.45 180.94 1gpq h ILE 98 N 0.63 1.21 0.00 1.86 2.04 -0.86 -3.09 117.51 119.30 1gpq h ILE 98 Ca 0.06 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.26 1gpq h ILE 98 Cb 0.91 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1gpq h ILE 98 CO 0.08 0.24 0.00 1.62 0.00 0.00 0.00 178.15 180.09 1gpq h VAL 99 N 0.57 0.00 0.00 1.67 3.04 -1.16 -3.35 116.25 117.02 1gpq h VAL 99 Ca 0.15 -0.61 -0.11 0.00 -1.01 0.00 0.00 66.70 65.12 1gpq h VAL 99 Cb 0.21 1.57 -0.04 0.00 -2.01 0.00 0.00 31.29 31.02 1gpq h VAL 99 CO -0.01 0.00 -0.16 -1.20 -1.01 0.00 0.00 177.57 175.19 1gpq n SER 100 N -2.87 4.38 -4.33 3.17 7.64 -1.12 -3.88 113.62 116.61 1gpq n SER 100 Ca 0.02 -2.27 -0.18 0.00 1.01 0.00 0.00 58.87 57.46 1gpq n SER 100 Cb 0.37 -1.10 -0.10 0.00 -1.01 0.00 0.00 64.21 62.37 1gpq n SER 100 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1gpq s ASP 101 N 2.11 2.39 0.57 6.43 3.68 -1.26 -5.03 116.67 125.56 1gpq s ASP 101 Ca 0.37 -1.05 0.26 0.00 2.13 0.00 0.00 52.55 54.26 1gpq s ASP 101 Cb 0.18 -0.11 1.56 0.00 -1.45 0.00 0.00 42.92 43.10 1gpq s ASP 101 CO 0.00 -0.24 2.12 1.23 0.13 0.00 0.00 175.17 178.40 1gpq h GLY 102 N 2.57 0.00 1.34 2.66 0.00 -1.95 -1.53 103.07 106.16 1gpq h GLY 102 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1gpq h GLY 102 CO 0.63 0.00 -0.33 0.70 0.00 0.00 0.00 176.54 177.54 1gpq n ASN 103 N -4.06 0.33 0.00 0.19 3.02 -1.26 -5.01 115.26 108.47 1gpq n ASN 103 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1gpq n ASN 103 Cb 0.29 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.45 1gpq n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gpq n GLY 104 N 1.50 3.24 0.00 7.41 0.00 -0.58 -2.15 105.19 114.62 1gpq n GLY 104 Ca 0.06 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.11 1gpq n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1gpq n MET 105 N 14.00 0.43 0.00 1.61 2.81 -1.26 -2.59 117.12 132.12 1gpq n MET 105 Ca 0.00 0.06 0.04 0.00 -1.81 0.00 0.00 57.70 55.99 1gpq n MET 105 Cb 0.00 -1.50 0.21 0.00 -0.71 0.00 0.00 33.22 31.22 1gpq n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1gpq n ASN 106 N -1.15 0.00 0.26 7.83 3.02 -0.91 -1.41 115.26 122.89 1gpq n ASN 106 Ca 0.12 0.25 0.17 0.00 -0.03 0.00 0.00 54.58 55.09 1gpq n ASN 106 Cb 0.11 -0.34 0.75 0.00 -0.61 0.00 0.00 39.78 39.69 1gpq n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gpq h ALA 107 N 2.38 1.00 -2.92 5.41 0.00 -1.72 -3.40 119.26 120.01 1gpq h ALA 107 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.23 1gpq h ALA 107 Cb 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 17.65 1gpq h ALA 107 CO 0.00 0.00 -0.57 -1.58 0.00 0.00 0.00 179.25 177.10 1gpq s TRP 108 N -3.69 3.17 0.23 0.00 0.51 -0.50 -4.97 118.94 113.69 1gpq s TRP 108 Ca 0.00 -0.73 -0.07 0.00 -2.12 0.00 0.00 56.10 53.19 1gpq s TRP 108 Cb 0.10 -2.33 0.29 0.00 -0.81 0.00 0.00 33.47 30.72 1gpq s TRP 108 CO 0.47 -0.51 1.86 0.28 -0.51 0.00 0.00 176.95 178.54 1gpq h VAL 109 N 5.74 1.07 -0.65 4.03 2.07 -1.86 -1.43 116.25 125.23 1gpq h VAL 109 Ca -0.31 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 1gpq h VAL 109 Cb 1.14 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1gpq h VAL 109 CO 0.61 0.18 0.31 0.00 0.02 0.00 0.00 177.57 178.69 1gpq h ALA 110 N 1.38 1.33 -0.39 1.67 0.00 -1.91 -1.19 119.26 120.15 1gpq h ALA 110 Ca 0.35 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1gpq h ALA 110 Cb 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1gpq h ALA 110 CO -0.15 0.52 -0.11 2.35 0.00 0.00 0.00 179.25 181.86 1gpq h TRP 111 N 0.91 0.86 -0.75 0.00 7.01 -1.63 -1.41 115.95 120.94 1gpq h TRP 111 Ca 0.23 -0.19 0.01 0.00 2.11 0.00 0.00 58.89 61.04 1gpq h TRP 111 Cb 0.09 -0.21 -0.04 0.00 -2.10 0.00 0.00 29.16 26.91 1gpq h TRP 111 CO 0.01 0.90 0.50 0.00 -2.79 0.00 0.00 178.44 177.06 1gpq h ARG 112 N 0.56 0.99 0.02 2.65 3.08 -0.75 0.15 114.38 121.07 1gpq h ARG 112 Ca 0.10 -0.06 -0.23 0.00 0.07 0.00 0.00 59.98 59.86 1gpq h ARG 112 Cb 0.64 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 1gpq h ARG 112 CO 0.04 0.65 -1.13 -0.91 -1.07 0.00 0.00 179.97 177.55 1gpq h ASN 113 N 1.02 0.06 0.00 7.04 2.35 -1.17 -3.38 115.58 121.49 1gpq h ASN 113 Ca 0.27 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1gpq h ASN 113 Cb -0.12 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.23 1gpq h ASN 113 CO -0.06 1.05 0.00 0.54 -1.65 0.00 0.00 177.43 177.31 1gpq n ARG 114 N -3.33 6.11 0.00 0.81 5.12 -0.54 -4.90 116.66 119.93 1gpq n ARG 114 Ca -0.04 -0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 1gpq n ARG 114 Cb 0.97 -0.51 0.00 0.00 -1.16 0.00 0.00 32.46 31.76 1gpq n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1gpq n LYS 116 N -2.72 1.62 -0.93 0.00 4.81 0.34 -1.71 118.16 119.57 1gpq n LYS 116 Ca 0.00 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 1gpq n LYS 116 Cb 0.49 -2.30 0.00 0.00 0.02 0.00 0.00 35.03 33.24 1gpq n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1gpq n GLY 117 N 3.15 1.00 4.01 3.14 0.00 -1.26 -4.97 105.19 110.25 1gpq n GLY 117 Ca 0.19 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 1gpq n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1gpq s THR 118 N -3.74 2.63 -1.40 2.61 -4.23 -0.70 -4.98 115.64 105.82 1gpq s THR 118 Ca 0.00 -1.03 -0.15 0.00 -1.18 0.00 0.00 61.69 59.33 1gpq s THR 118 Cb 0.00 -2.66 0.05 0.00 1.34 0.00 0.00 72.50 71.24 1gpq s THR 118 CO 0.00 0.00 2.07 -0.67 -0.54 0.00 0.00 174.62 175.48 1gpq n ASP 119 N -1.99 4.24 0.23 3.99 2.03 -1.26 -4.76 116.55 119.03 1gpq n ASP 119 Ca 0.11 -2.87 0.17 0.00 0.52 0.00 0.00 54.79 52.72 1gpq n ASP 119 Cb 0.60 -1.68 0.86 0.00 -0.72 0.00 0.00 41.12 40.19 1gpq n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1gpq h VAL 120 N 4.46 0.41 -0.03 5.18 -1.51 -1.92 -1.65 116.25 121.18 1gpq h VAL 120 Ca 0.53 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 66.01 1gpq h VAL 120 Cb 0.71 0.85 -0.00 0.00 -2.13 0.00 0.00 31.29 30.72 1gpq h VAL 120 CO 1.75 0.00 0.12 -0.61 -1.23 0.00 0.00 177.57 177.60 1gpq h GLN 121 N 0.00 0.00 -0.24 5.19 -0.00 -1.89 0.45 115.11 118.62 1gpq h GLN 121 Ca 0.07 0.00 0.07 0.00 -0.00 0.00 0.00 58.65 58.79 1gpq h GLN 121 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.91 1gpq h GLN 121 CO -0.00 0.00 0.18 0.00 0.00 0.00 0.00 178.83 179.01 1gpq h ALA 122 N 1.80 2.18 0.00 3.38 0.00 -1.70 -0.72 119.26 124.19 1gpq h ALA 122 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1gpq h ALA 122 Cb 0.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1gpq h ALA 122 CO -0.00 -0.30 0.00 0.91 0.00 0.00 0.00 179.25 179.86 1gpq n TRP 123 N -4.38 0.18 -0.01 0.00 7.02 0.15 -2.19 117.44 118.22 1gpq n TRP 123 Ca 0.03 0.07 0.00 0.00 -1.02 0.00 0.00 57.50 56.58 1gpq n TRP 123 Cb 0.33 -0.61 0.01 0.00 -2.42 0.00 0.00 31.31 28.62 1gpq n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1gpq n ILE 124 N -1.66 0.84 -2.05 -0.99 -5.35 -0.32 -4.84 119.36 105.00 1gpq n ILE 124 Ca 0.04 -0.92 -0.41 0.00 -0.27 0.00 0.00 62.75 61.19 1gpq n ILE 124 Cb 0.21 0.58 -0.02 0.00 -1.74 0.00 0.00 39.64 38.68 1gpq n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1gpq s ARG 125 N -0.85 4.30 0.00 6.28 3.52 -0.93 -2.08 118.95 129.18 1gpq s ARG 125 Ca 0.02 2.28 0.00 0.00 -0.13 0.00 0.00 55.73 57.90 1gpq s ARG 125 Cb 0.01 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 30.32 1gpq s ARG 125 CO 0.01 -0.32 0.00 0.41 -0.81 0.00 0.00 175.30 174.59 1gpq n GLY 126 N 1.39 0.66 3.80 8.12 0.00 -1.26 -5.01 105.19 112.89 1gpq n GLY 126 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1gpq n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32