#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 3.85 0.53 3.15 1.01 -1.26 -0.92 120.40 126.75 1gpq s VAL 2 Ca 0.00 -0.82 -0.19 0.00 0.00 0.00 0.00 61.98 60.97 1gpq s VAL 2 Cb 0.00 -3.03 -0.07 0.00 0.00 0.00 0.00 36.38 33.28 1gpq s VAL 2 CO 0.00 0.03 1.05 -0.36 0.00 0.00 0.00 175.10 175.82 1gpq s PHE 3 N 1.46 2.97 0.53 5.22 0.40 -0.33 -5.01 117.98 123.22 1gpq s PHE 3 Ca 0.01 1.55 -0.14 0.00 -0.60 0.00 0.00 56.93 57.76 1gpq s PHE 3 Cb -0.18 -3.07 -0.06 0.00 0.51 0.00 0.00 43.02 40.22 1gpq s PHE 3 CO 0.02 -0.99 0.96 0.20 0.70 0.00 0.00 175.22 176.12 1gpq s GLY 4 N -2.23 1.91 0.10 4.36 0.00 -1.26 -4.85 107.32 105.36 1gpq s GLY 4 Ca 0.67 0.03 -0.25 0.00 0.00 0.00 0.00 44.72 45.16 1gpq s GLY 4 CO 0.26 0.28 1.68 -0.09 0.00 0.00 0.00 173.10 175.24 1gpq h ARG 5 N 0.59 -0.29 -0.26 2.90 2.43 -1.96 -0.29 114.38 117.50 1gpq h ARG 5 Ca -0.46 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 58.61 1gpq h ARG 5 Cb 1.19 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 1gpq h ARG 5 CO 0.62 -0.19 -0.32 0.00 -1.51 0.00 0.00 179.97 178.57 1gpq h GLU 7 N 0.46 0.58 -0.34 0.00 4.81 -1.91 -0.33 114.58 117.86 1gpq h GLU 7 Ca 0.06 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.15 1gpq h GLU 7 Cb 0.78 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 1gpq h GLU 7 CO 0.06 0.38 -0.16 1.25 -0.73 0.00 0.00 179.01 179.81 1gpq h LEU 8 N 0.60 0.73 -0.61 1.64 5.85 -0.79 -2.15 115.31 120.57 1gpq h LEU 8 Ca 0.19 -0.41 0.07 0.00 0.84 0.00 0.00 57.88 58.58 1gpq h LEU 8 Cb 0.00 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.77 1gpq h LEU 8 CO -0.08 0.97 0.30 0.00 -0.34 0.00 0.00 178.44 179.29 1gpq h ALA 9 N 0.78 0.81 -0.66 1.25 0.00 -0.82 0.84 119.26 121.45 1gpq h ALA 9 Ca 0.07 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1gpq h ALA 9 Cb 0.70 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1gpq h ALA 9 CO 0.05 -0.07 0.17 0.00 0.00 0.00 0.00 179.25 179.39 1gpq h ALA 10 N 1.36 0.87 -0.50 0.00 0.00 -0.96 -1.03 119.26 119.00 1gpq h ALA 10 Ca 0.29 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1gpq h ALA 10 Cb 0.26 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1gpq h ALA 10 CO -0.22 0.58 0.16 0.00 0.00 0.00 0.00 179.25 179.77 1gpq h ALA 11 N 1.07 0.66 -0.42 0.00 0.00 -0.83 -0.57 119.26 119.17 1gpq h ALA 11 Ca 0.21 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1gpq h ALA 11 Cb 0.35 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1gpq h ALA 11 CO 0.00 0.32 -0.02 0.52 0.00 0.00 0.00 179.25 180.06 1gpq h MET 12 N 0.68 0.68 -0.38 0.00 2.86 -0.62 -1.63 114.93 116.53 1gpq h MET 12 Ca 0.16 -0.18 -0.09 0.00 -2.06 0.00 0.00 59.70 57.53 1gpq h MET 12 Cb 0.27 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1gpq h MET 12 CO -0.01 0.72 -0.12 -0.22 1.06 0.00 0.00 176.91 178.34 1gpq h LYS 13 N 0.64 0.74 -0.31 1.72 3.64 -0.90 -2.02 116.57 120.08 1gpq h LYS 13 Ca 0.13 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 1gpq h LYS 13 Cb 0.43 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1gpq h LYS 13 CO 0.02 0.90 0.17 0.00 -2.27 0.00 0.00 179.45 178.27 1gpq h ARG 14 N 0.55 0.42 -0.30 1.90 3.08 -0.75 -2.06 114.38 117.22 1gpq h ARG 14 Ca 0.09 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1gpq h ARG 14 Cb 0.64 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1gpq h ARG 14 CO 0.04 0.32 0.00 0.72 -1.07 0.00 0.00 179.97 179.98 1gpq n HIS 15 N -4.45 0.40 -1.62 3.04 8.25 -0.64 -4.94 115.22 115.26 1gpq n HIS 15 Ca 0.02 -0.20 -0.02 0.00 -0.26 0.00 0.00 57.72 57.25 1gpq n HIS 15 Cb 0.10 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.20 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 0.99 0.40 0.13 -1.41 0.00 -0.77 -4.97 105.19 99.56 1gpq n GLY 16 Ca 0.11 -0.87 0.12 0.00 0.00 0.00 0.00 46.02 45.38 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 -8.90 0.99 3.38 -1.58 -3.40 115.31 105.80 1gpq h LEU 17 Ca -0.05 -0.05 -0.58 0.00 0.09 0.00 0.00 57.88 57.29 1gpq h LEU 17 Cb 0.66 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1gpq h LEU 17 CO 0.07 0.02 1.34 -0.62 0.09 0.00 0.00 178.44 179.35 1gpq s ASP 18 N -5.24 5.74 -0.84 -0.43 2.15 -1.26 -1.45 116.67 115.34 1gpq s ASP 18 Ca 0.05 1.47 0.00 0.00 0.43 0.00 0.00 52.55 54.50 1gpq s ASP 18 Cb 0.09 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1gpq s ASP 18 CO 0.71 -1.80 0.00 0.59 -0.17 0.00 0.00 175.17 174.50 1gpq n ASN 19 N 10.77 -3.92 -4.68 -0.34 3.02 0.14 -4.84 115.26 115.41 1gpq n ASN 19 Ca 0.25 0.19 -0.42 0.00 -0.03 0.00 0.00 54.58 54.57 1gpq n ASN 19 Cb 0.46 -2.15 -0.03 0.00 -0.61 0.00 0.00 39.78 37.45 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 -2.30 2.26 -1.44 3.10 5.04 -0.53 -1.37 117.35 122.11 1gpq s TYR 20 Ca 0.00 0.21 0.00 0.00 -2.44 0.00 0.00 57.07 54.84 1gpq s TYR 20 Cb 0.00 -4.00 0.00 0.00 0.35 0.00 0.00 41.96 38.31 1gpq s TYR 20 CO 0.00 -4.10 0.00 0.54 -1.34 0.00 0.00 175.55 170.65 1gpq n ARG 21 N 5.93 -1.94 -0.76 4.97 5.12 -1.26 -1.66 116.66 127.05 1gpq n ARG 21 Ca 0.16 0.81 0.00 0.00 -1.93 0.00 0.00 57.85 56.90 1gpq n ARG 21 Cb 0.41 -5.44 0.00 0.00 -1.16 0.00 0.00 32.46 26.27 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 -0.90 0.72 3.43 -0.13 0.00 -0.47 -5.03 105.19 102.82 1gpq n GLY 22 Ca -0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.61 3.24 0.75 1.61 2.02 -0.66 -4.90 117.35 116.81 1gpq s TYR 23 Ca 0.00 -0.71 -0.15 0.00 -0.37 0.00 0.00 57.07 55.85 1gpq s TYR 23 Cb 0.00 -2.68 0.05 0.00 -0.40 0.00 0.00 41.96 38.93 1gpq s TYR 23 CO 0.00 -0.64 1.23 -1.54 -1.57 0.00 0.00 175.55 173.03 1gpq s SER 24 N 1.83 3.95 0.32 2.29 1.04 -1.26 -0.68 113.70 121.19 1gpq s SER 24 Ca 0.04 2.43 0.10 0.00 0.48 0.00 0.00 55.95 59.01 1gpq s SER 24 Cb -0.20 -2.60 0.96 0.00 0.10 0.00 0.00 66.02 64.28 1gpq s SER 24 CO 0.09 -2.43 1.64 0.25 0.98 0.00 0.00 173.24 173.77 1gpq h LEU 25 N -0.42 0.21 -2.18 2.42 5.85 -1.88 -0.60 115.31 118.70 1gpq h LEU 25 Ca -0.48 0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.47 1gpq h LEU 25 Cb 1.31 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.57 1gpq h LEU 25 CO 0.49 -0.20 0.06 1.23 -0.34 0.00 0.00 178.44 179.67 1gpq h GLY 26 N 0.21 0.00 1.12 3.75 0.00 -1.90 -1.60 103.07 104.66 1gpq h GLY 26 Ca 0.67 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.95 1gpq h GLY 26 CO -0.68 0.00 0.24 3.43 0.00 0.00 0.00 176.54 179.53 1gpq h ASN 27 N 0.00 1.03 -0.18 0.19 2.35 -1.33 -0.11 115.58 117.53 1gpq h ASN 27 Ca 0.03 -0.18 -0.19 0.00 -0.55 0.00 0.00 56.30 55.41 1gpq h ASN 27 Cb 0.15 -0.27 0.01 0.00 0.05 0.00 0.00 38.32 38.25 1gpq h ASN 27 CO -0.00 0.95 -0.63 -0.50 -1.65 0.00 0.00 177.43 175.60 1gpq h TRP 28 N 1.07 0.97 -0.36 1.19 4.06 -1.42 -0.57 115.95 120.89 1gpq h TRP 28 Ca 0.24 -0.40 -0.05 0.00 2.06 0.00 0.00 58.89 60.73 1gpq h TRP 28 Cb 0.28 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 28.26 1gpq h TRP 28 CO 0.02 1.22 0.01 0.28 -3.56 0.00 0.00 178.44 176.41 1gpq h VAL 29 N 0.45 1.25 -0.64 1.49 2.07 -1.38 -1.68 116.25 117.81 1gpq h VAL 29 Ca -0.03 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 1gpq h VAL 29 Cb 1.25 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 1gpq h VAL 29 CO 0.13 0.32 0.30 0.00 0.02 0.00 0.00 177.57 178.34 1gpq h ALA 31 N 1.13 0.61 -0.52 0.00 0.00 -0.94 -1.84 119.26 117.70 1gpq h ALA 31 Ca 0.22 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1gpq h ALA 31 Cb 0.14 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1gpq h ALA 31 CO -0.03 -0.08 0.07 0.00 0.00 0.00 0.00 179.25 179.21 1gpq h ALA 32 N 1.24 1.15 -0.43 0.00 0.00 -0.91 -0.08 119.26 120.24 1gpq h ALA 32 Ca 0.20 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1gpq h ALA 32 Cb 0.09 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1gpq h ALA 32 CO -0.13 0.56 0.20 -0.22 0.00 0.00 0.00 179.25 179.66 1gpq h LYS 33 N 0.78 0.39 0.00 0.00 1.63 -0.28 -1.01 116.57 118.08 1gpq h LYS 33 Ca 0.16 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 1gpq h LYS 33 Cb 0.37 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 1gpq h LYS 33 CO 0.01 0.26 -0.62 1.19 -3.45 0.00 0.00 179.45 176.83 1gpq n PHE 34 N -4.94 0.24 0.04 1.91 3.72 -0.88 -0.94 117.46 116.60 1gpq n PHE 34 Ca 0.03 0.07 -0.21 0.00 -0.05 0.00 0.00 57.45 57.28 1gpq n PHE 34 Cb 0.12 -0.42 -0.14 0.00 -0.94 0.00 0.00 39.48 38.09 1gpq n PHE 34 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1gpq h GLU 35 N 0.00 0.31 0.00 -1.08 4.39 -0.88 -3.44 114.58 113.88 1gpq h GLU 35 Ca 0.00 -0.53 0.00 0.00 0.34 0.00 0.00 59.36 59.17 1gpq h GLU 35 Cb 0.62 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 1gpq h GLU 35 CO 0.00 1.22 0.00 -1.13 -1.16 0.00 0.00 179.01 177.94 1gpq n SER 36 N -3.51 0.04 -3.98 1.42 3.41 -0.46 -4.83 113.62 105.72 1gpq n SER 36 Ca -0.27 -0.98 -0.31 0.00 -0.26 0.00 0.00 58.87 57.05 1gpq n SER 36 Cb 1.06 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 65.02 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 -3.94 -1.28 4.04 2.85 -0.12 -2.07 115.26 114.74 1gpq n ASN 37 Ca 0.00 -0.85 -0.16 0.00 -0.11 0.00 0.00 54.58 53.46 1gpq n ASN 37 Cb 0.23 -3.56 -0.06 0.00 1.24 0.00 0.00 39.78 37.63 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 -4.57 -0.12 -3.36 1.20 3.72 -1.18 -4.81 117.46 108.34 1gpq n PHE 38 Ca 0.01 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.00 1gpq n PHE 38 Cb 0.54 -2.80 -0.09 0.00 -0.94 0.00 0.00 39.48 36.19 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 -2.75 6.22 0.61 4.37 3.84 -0.88 -1.19 114.94 125.16 1gpq s ASN 39 Ca 0.00 -0.11 0.39 0.00 0.21 0.00 0.00 52.86 53.34 1gpq s ASN 39 Cb 0.00 -2.21 1.99 0.00 -0.55 0.00 0.00 41.25 40.48 1gpq s ASN 39 CO 0.00 -0.35 2.23 0.71 -2.79 0.00 0.00 177.10 176.90 1gpq h THR 40 N 5.53 0.12 -0.33 -5.21 1.35 -1.36 -2.87 112.91 110.14 1gpq h THR 40 Ca -0.30 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1gpq h THR 40 Cb 1.14 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 1gpq h THR 40 CO 0.70 0.02 0.00 0.00 -0.25 0.00 0.00 175.52 175.99 1gpq n GLN 41 N -3.22 2.41 -1.66 4.72 6.02 -1.26 -4.09 117.38 120.31 1gpq n GLN 41 Ca -0.02 -2.12 -0.45 0.00 -0.01 0.00 0.00 57.00 54.40 1gpq n GLN 41 Cb 0.15 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.89 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 1.36 0.82 -3.07 -1.58 0.00 -1.08 -4.73 120.51 112.22 1gpq n ALA 42 Ca 0.19 0.40 -0.13 0.00 0.00 0.00 0.00 53.44 53.90 1gpq n ALA 42 Cb 0.58 -2.22 -0.14 0.00 0.00 0.00 0.00 19.45 17.67 1gpq n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1gpq s THR 43 N -0.40 -0.01 -0.12 0.00 -4.23 -1.26 -0.38 115.64 109.23 1gpq s THR 43 Ca 0.65 0.04 -0.02 0.00 -1.18 0.00 0.00 61.69 61.18 1gpq s THR 43 Cb -0.66 -0.09 0.04 0.00 1.34 0.00 0.00 72.50 73.14 1gpq s THR 43 CO 0.54 0.01 0.01 0.21 -0.54 0.00 0.00 174.62 174.86 1gpq s ASN 44 N 0.22 2.08 0.07 3.99 3.04 -0.63 -4.96 114.94 118.75 1gpq s ASN 44 Ca -0.02 -0.36 -0.29 0.00 0.04 0.00 0.00 52.86 52.24 1gpq s ASN 44 Cb -0.02 -0.50 -0.05 0.00 -1.54 0.00 0.00 41.25 39.13 1gpq s ASN 44 CO -0.01 -0.23 0.91 -0.13 -3.04 0.00 0.00 177.10 174.60 1gpq s ARG 45 N 1.93 4.62 0.21 0.43 0.52 -1.26 -0.43 118.95 124.97 1gpq s ARG 45 Ca 0.03 1.34 0.06 0.00 -0.52 0.00 0.00 55.73 56.63 1gpq s ARG 45 Cb -0.14 -3.39 -0.04 0.00 0.52 0.00 0.00 34.95 31.91 1gpq s ARG 45 CO -0.06 0.19 0.18 -0.80 0.02 0.00 0.00 175.30 174.82 1gpq s ASN 46 N 0.15 5.57 0.51 0.23 0.02 0.10 -4.97 114.94 116.54 1gpq s ASN 46 Ca 0.45 -0.17 0.34 0.00 -1.02 0.00 0.00 52.86 52.46 1gpq s ASN 46 Cb -0.22 -1.45 1.62 0.00 0.02 0.00 0.00 41.25 41.22 1gpq s ASN 46 CO 0.28 0.01 2.02 0.71 0.02 0.00 0.00 177.10 180.14 1gpq h THR 47 N 1.74 0.00 -0.25 1.60 1.35 -1.97 -2.65 112.91 112.74 1gpq h THR 47 Ca -0.48 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 1gpq h THR 47 Cb 1.22 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 1gpq h THR 47 CO 0.62 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.99 1gpq n ASP 48 N -2.84 1.71 0.00 5.36 5.75 -1.26 -4.89 116.55 120.38 1gpq n ASP 48 Ca -0.01 -2.08 0.00 0.00 -0.01 0.00 0.00 54.79 52.69 1gpq n ASP 48 Cb 0.19 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 1gpq n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1gpq n GLY 49 N 0.74 1.81 3.96 6.12 0.00 -1.00 -4.71 105.19 112.11 1gpq n GLY 49 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.22 4.91 0.02 1.61 1.04 -1.26 -4.40 113.70 112.40 1gpq s SER 50 Ca 0.00 0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.56 1gpq s SER 50 Cb 0.00 -0.82 -0.02 0.00 0.10 0.00 0.00 66.02 65.29 1gpq s SER 50 CO 0.00 -1.46 -0.05 -0.89 0.98 0.00 0.00 173.24 171.82 1gpq s THR 51 N -3.03 0.33 -0.14 2.02 2.01 -1.26 -0.72 115.64 114.85 1gpq s THR 51 Ca 0.60 -0.79 -0.09 0.00 0.31 0.00 0.00 61.69 61.72 1gpq s THR 51 Cb -0.10 -0.40 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 1gpq s THR 51 CO 0.42 -0.31 0.17 -1.81 -0.69 0.00 0.00 174.62 172.39 1gpq s ASP 52 N -1.18 6.37 -0.03 3.53 1.01 0.42 -1.31 116.67 125.48 1gpq s ASP 52 Ca -0.09 0.44 0.05 0.00 0.71 0.00 0.00 52.55 53.65 1gpq s ASP 52 Cb -0.08 -2.10 -0.01 0.00 1.01 0.00 0.00 42.92 41.75 1gpq s ASP 52 CO -0.00 0.32 -0.19 -0.31 0.21 0.00 0.00 175.17 175.20 1gpq s TYR 53 N -0.54 1.77 0.00 4.23 2.02 0.22 -1.61 117.35 123.45 1gpq s TYR 53 Ca 0.14 -0.45 0.00 0.00 -0.37 0.00 0.00 57.07 56.39 1gpq s TYR 53 Cb -0.12 -1.17 0.00 0.00 -0.40 0.00 0.00 41.96 40.27 1gpq s TYR 53 CO 0.03 -0.12 0.00 0.41 -1.57 0.00 0.00 175.55 174.30 1gpq n GLY 54 N 2.93 -1.97 0.28 0.71 0.00 0.48 -1.60 105.19 106.03 1gpq n GLY 54 Ca -0.17 -1.40 0.13 0.00 0.00 0.00 0.00 46.02 44.58 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 0.00 0.67 -0.26 -0.61 2.10 -1.71 -1.37 117.51 116.33 1gpq h ILE 55 Ca 0.00 -0.05 0.00 0.00 1.08 0.00 0.00 64.86 65.89 1gpq h ILE 55 Cb 0.00 1.03 0.00 0.00 -1.09 0.00 0.00 36.82 36.76 1gpq h ILE 55 CO 0.00 0.01 0.00 0.18 -1.08 0.00 0.00 178.15 177.26 1gpq n LEU 56 N -4.03 2.96 -3.98 2.19 4.77 -1.26 -4.08 117.00 113.56 1gpq n LEU 56 Ca -0.03 -2.26 -0.43 0.00 -0.03 0.00 0.00 56.01 53.25 1gpq n LEU 56 Cb 0.10 -0.27 0.03 0.00 -2.33 0.00 0.00 43.42 40.94 1gpq n LEU 56 CO 0.30 0.68 -0.14 0.00 -1.33 0.00 0.00 177.39 176.89 1gpq n GLN 57 N 0.06 -0.46 -2.78 3.23 1.13 -0.52 -4.92 117.38 113.12 1gpq n GLN 57 Ca 0.12 0.17 -0.41 0.00 -1.94 0.00 0.00 57.00 54.94 1gpq n GLN 57 Cb 0.51 -2.88 -0.04 0.00 0.11 0.00 0.00 30.24 27.93 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 4.65 0.15 5.09 1.01 -0.63 -4.38 121.20 123.59 1gpq s ILE 58 Ca 0.49 1.97 -0.25 0.00 0.00 0.00 0.00 60.65 62.86 1gpq s ILE 58 Cb -0.25 -4.27 -0.08 0.00 0.01 0.00 0.00 42.46 37.87 1gpq s ILE 58 CO 0.95 0.29 0.75 0.21 0.00 0.00 0.00 174.94 177.14 1gpq s ASN 59 N 0.26 7.35 0.00 3.58 3.84 -1.26 -0.61 114.94 128.11 1gpq s ASN 59 Ca 0.46 1.60 0.26 0.00 0.21 0.00 0.00 52.86 55.39 1gpq s ASN 59 Cb -0.22 -2.48 1.21 0.00 -0.55 0.00 0.00 41.25 39.20 1gpq s ASN 59 CO 0.28 0.22 1.85 -1.54 -2.79 0.00 0.00 177.10 175.11 1gpq n SER 60 N 1.62 0.00 -0.03 -4.21 3.41 -0.43 -2.08 113.62 111.90 1gpq n SER 60 Ca -0.06 0.18 -0.14 0.00 -0.26 0.00 0.00 58.87 58.59 1gpq n SER 60 Cb 0.49 -0.38 -0.11 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.07 0.00 4.33 2.43 -1.85 -3.40 114.38 115.96 1gpq h ARG 61 Ca 0.00 -0.05 -0.29 0.00 -0.81 0.00 0.00 59.98 58.82 1gpq h ARG 61 Cb 0.33 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.84 1gpq h ARG 61 CO 0.00 0.73 -2.15 0.91 -1.51 0.00 0.00 179.97 177.95 1gpq n TRP 62 N -4.69 0.00 -0.10 2.20 7.02 -1.25 -1.38 117.44 119.24 1gpq n TRP 62 Ca -0.09 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.27 1gpq n TRP 62 Cb 0.37 -0.82 -0.12 0.00 -2.42 0.00 0.00 31.31 28.32 1gpq n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1gpq n TRP 63 N -2.60 0.00 -4.20 -5.99 7.02 -0.88 -0.52 117.44 110.27 1gpq n TRP 63 Ca -0.26 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.10 1gpq n TRP 63 Cb 1.02 -0.88 -0.10 0.00 -2.42 0.00 0.00 31.31 28.93 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 -3.10 5.60 0.00 0.00 2.47 -0.17 -4.53 114.94 115.21 1gpq s ASN 65 Ca 0.20 -0.17 0.05 0.00 0.42 0.00 0.00 52.86 53.35 1gpq s ASN 65 Cb 0.06 -2.03 0.13 0.00 -1.45 0.00 0.00 41.25 37.96 1gpq s ASN 65 CO 0.00 -0.07 1.09 -0.90 -3.72 0.00 0.00 177.10 173.51 1gpq n ASP 66 N 5.00 2.36 0.00 -4.21 5.68 -1.26 -0.70 116.55 123.41 1gpq n ASP 66 Ca -0.15 -1.97 0.00 0.00 -0.50 0.00 0.00 54.79 52.17 1gpq n ASP 66 Cb 0.51 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 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 -0.05 0.11 0.08 6.12 0.00 -1.26 -4.71 105.19 105.48 1gpq n GLY 67 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.64 0.69 -4.07 1.61 1.85 -1.26 -5.06 116.66 109.78 1gpq n ARG 68 Ca 0.00 -0.91 -0.35 0.00 -1.00 0.00 0.00 57.85 55.59 1gpq n ARG 68 Cb 0.24 -0.66 -0.12 0.00 -1.05 0.00 0.00 32.46 30.87 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 -0.37 4.10 0.46 8.89 2.01 -1.26 -4.86 115.64 124.60 1gpq s THR 69 Ca 0.02 -0.26 -0.23 0.00 0.31 0.00 0.00 61.69 61.52 1gpq s THR 69 Cb 0.02 -2.85 -0.07 0.00 0.01 0.00 0.00 72.50 69.60 1gpq s THR 69 CO 0.00 0.43 1.20 -2.84 -0.69 0.00 0.00 174.62 172.72 1gpq s PRO 70 N 0.91 3.74 -1.03 4.92 0.02 -1.26 -3.45 135.00 138.85 1gpq s PRO 70 Ca 0.02 1.88 0.00 0.00 0.02 0.00 0.00 61.00 62.91 1gpq s PRO 70 Cb -0.14 -2.46 0.00 0.00 0.02 0.00 0.00 34.50 31.92 1gpq s PRO 70 CO 0.02 -0.60 0.00 0.41 -0.33 0.00 0.00 177.00 176.51 1gpq n GLY 71 N 0.53 1.10 3.71 0.52 0.00 -1.26 -4.86 105.19 104.93 1gpq n GLY 71 Ca 0.07 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 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 0.41 3.45 -0.00 1.61 2.88 -1.22 -4.74 113.62 116.00 1gpq n SER 72 Ca -0.10 1.14 0.02 0.00 -1.33 0.00 0.00 58.87 58.60 1gpq n SER 72 Cb 0.33 -1.53 -0.03 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 2.30 0.57 -4.07 -1.46 1.74 -0.48 -5.01 116.66 110.26 1gpq n ARG 73 Ca 0.11 -0.03 -0.43 0.00 -0.77 0.00 0.00 57.85 56.72 1gpq n ARG 73 Cb 0.34 -1.05 0.01 0.00 -1.02 0.00 0.00 32.46 30.74 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 -1.58 -3.48 0.14 0.55 5.15 -1.09 -4.84 115.26 110.11 1gpq n ASN 74 Ca -0.01 -1.27 0.12 0.00 -0.60 0.00 0.00 54.58 52.83 1gpq n ASN 74 Cb 0.09 -1.84 0.49 0.00 -0.53 0.00 0.00 39.78 37.99 1gpq n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1gpq h LEU 75 N -2.46 0.00 -0.52 1.20 3.38 -0.81 -1.29 115.31 114.81 1gpq h LEU 75 Ca -0.70 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.27 1gpq h LEU 75 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1gpq h LEU 75 CO 0.54 0.00 -0.48 0.00 0.09 0.00 0.00 178.44 178.60 1gpq n ASN 77 N -0.68 -5.16 -3.66 0.00 4.13 -0.49 -4.99 115.26 104.42 1gpq n ASN 77 Ca 0.09 -1.03 -0.14 0.00 1.68 0.00 0.00 54.58 55.18 1gpq n ASN 77 Cb 0.38 -2.92 -0.07 0.00 -1.54 0.00 0.00 39.78 35.64 1gpq n ASN 77 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1gpq s ILE 78 N -3.41 0.05 0.39 2.41 -4.36 -1.26 -5.07 121.20 109.95 1gpq s ILE 78 Ca 0.41 -0.39 -0.24 0.00 -0.26 0.00 0.00 60.65 60.18 1gpq s ILE 78 Cb -0.17 -0.90 -0.09 0.00 1.25 0.00 0.00 42.46 42.55 1gpq s ILE 78 CO 0.89 -0.21 1.01 -2.16 0.24 0.00 0.00 174.94 174.70 1gpq s PRO 79 N -2.12 4.25 0.61 0.37 0.04 -1.26 -1.00 135.00 135.89 1gpq s PRO 79 Ca -0.07 1.40 0.32 0.00 0.04 0.00 0.00 61.00 62.69 1gpq s PRO 79 Cb -0.02 -2.53 1.86 0.00 0.04 0.00 0.00 34.50 33.86 1gpq s PRO 79 CO 0.00 -0.04 2.20 0.00 0.04 0.00 0.00 177.00 179.20 1gpq h SER 81 N 0.00 0.00 0.26 0.00 4.64 -1.90 -0.74 113.55 115.80 1gpq h SER 81 Ca 0.03 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.31 1gpq h SER 81 Cb 0.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1gpq h SER 81 CO -0.00 0.06 -0.19 0.00 -0.87 0.00 0.00 176.83 175.83 1gpq h ALA 82 N 1.94 1.53 0.00 5.18 0.00 -1.44 -1.50 119.26 124.97 1gpq h ALA 82 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1gpq h ALA 82 Cb 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1gpq h ALA 82 CO 0.01 0.23 0.00 1.28 0.00 0.00 0.00 179.25 180.77 1gpq n LEU 83 N -4.08 0.00 -1.03 0.00 4.77 -0.28 -2.85 117.00 113.53 1gpq n LEU 83 Ca -0.02 0.10 0.08 0.00 -0.03 0.00 0.00 56.01 56.14 1gpq n LEU 83 Cb 0.26 -0.10 0.25 0.00 -2.33 0.00 0.00 43.42 41.50 1gpq n LEU 83 CO 0.35 -0.00 0.71 0.18 -1.33 0.00 0.00 177.39 177.30 1gpq n LEU 84 N -1.10 3.61 -4.72 2.23 4.77 -0.56 -3.94 117.00 117.28 1gpq n LEU 84 Ca 0.20 -2.15 -0.33 0.00 -0.03 0.00 0.00 56.01 53.70 1gpq n LEU 84 Cb 0.15 -0.39 0.10 0.00 -2.33 0.00 0.00 43.42 40.96 1gpq n LEU 84 CO 0.20 0.82 0.77 -0.94 -1.33 0.00 0.00 177.39 176.90 1gpq s SER 85 N -1.06 4.07 0.35 -1.43 1.04 -1.13 -4.58 113.70 110.96 1gpq s SER 85 Ca 0.37 2.27 0.19 0.00 0.48 0.00 0.00 55.95 59.25 1gpq s SER 85 Cb 0.21 -2.58 0.50 0.00 0.10 0.00 0.00 66.02 64.26 1gpq s SER 85 CO 0.22 -2.34 1.65 0.28 0.98 0.00 0.00 173.24 174.03 1gpq h SER 86 N -0.59 0.00 -2.91 7.02 0.02 -1.92 -3.43 113.55 111.74 1gpq h SER 86 Ca -0.47 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 59.98 1gpq h SER 86 Cb 1.28 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 1gpq h SER 86 CO 0.49 0.39 -0.24 1.51 -1.14 0.00 0.00 176.83 177.84 1gpq s ASP 87 N -6.39 6.37 0.00 3.07 -4.77 -1.26 -4.96 116.67 108.73 1gpq s ASP 87 Ca 0.02 0.49 0.19 0.00 -3.30 0.00 0.00 52.55 49.95 1gpq s ASP 87 Cb 0.09 -2.05 0.53 0.00 -1.09 0.00 0.00 42.92 40.41 1gpq s ASP 87 CO 0.70 -0.16 1.44 2.30 0.70 0.00 0.00 175.17 180.15 1gpq n ILE 88 N -1.10 0.78 -0.05 2.11 -5.35 -1.26 -4.63 119.36 109.85 1gpq n ILE 88 Ca -0.04 -0.79 -0.08 0.00 -0.27 0.00 0.00 62.75 61.57 1gpq n ILE 88 Cb 0.55 0.43 -0.02 0.00 -1.74 0.00 0.00 39.64 38.86 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 3.53 0.37 -0.72 7.28 2.02 -1.95 -0.34 112.91 123.11 1gpq h THR 89 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1gpq h THR 89 Cb 0.81 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 1gpq h THR 89 CO 0.00 0.00 0.31 0.00 0.37 0.00 0.00 175.52 176.20 1gpq h ALA 90 N 0.78 0.93 -0.54 6.16 0.00 -1.82 -0.94 119.26 123.83 1gpq h ALA 90 Ca 0.14 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1gpq h ALA 90 Cb 0.47 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1gpq h ALA 90 CO -0.40 0.52 0.05 0.77 0.00 0.00 0.00 179.25 180.19 1gpq h SER 91 N 1.01 0.84 -0.23 0.00 0.02 -1.71 -1.28 113.55 112.21 1gpq h SER 91 Ca 0.24 -0.20 -0.09 0.00 -0.84 0.00 0.00 61.79 60.90 1gpq h SER 91 Cb 0.17 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 1gpq h SER 91 CO -0.02 0.88 -0.22 0.58 -1.14 0.00 0.00 176.83 176.90 1gpq h VAL 92 N 0.83 1.32 -0.92 2.27 2.07 -0.67 0.05 116.25 121.20 1gpq h VAL 92 Ca 0.17 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.30 1gpq h VAL 92 Cb 0.43 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 1gpq h VAL 92 CO 0.01 0.43 0.58 0.78 0.02 0.00 0.00 177.57 179.39 1gpq h ASN 93 N 0.26 1.08 -0.10 0.57 -0.26 -1.01 -0.72 115.58 115.40 1gpq h ASN 93 Ca 0.04 -0.05 -0.23 0.00 -0.56 0.00 0.00 56.30 55.50 1gpq h ASN 93 Cb 0.78 -0.27 0.01 0.00 -1.06 0.00 0.00 38.32 37.77 1gpq h ASN 93 CO 0.06 0.81 -0.82 0.00 -1.06 0.00 0.00 177.43 176.42 1gpq h ALA 95 N 0.55 1.54 -0.46 0.00 0.00 -0.39 -0.97 119.26 119.54 1gpq h ALA 95 Ca -0.06 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1gpq h ALA 95 Cb 1.45 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1gpq h ALA 95 CO 0.17 0.37 0.07 0.87 0.00 0.00 0.00 179.25 180.73 1gpq h LYS 96 N 0.64 0.70 -0.27 0.00 1.57 -1.13 -0.97 116.57 117.10 1gpq h LYS 96 Ca 0.16 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 1gpq h LYS 96 Cb 0.05 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1gpq h LYS 96 CO -0.02 0.67 -0.20 0.87 -0.57 0.00 0.00 179.45 180.19 1gpq h LYS 97 N 0.68 0.62 -0.11 3.15 1.57 -1.18 -3.17 116.57 118.13 1gpq h LYS 97 Ca 0.15 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1gpq h LYS 97 Cb 0.31 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1gpq h LYS 97 CO 0.00 0.89 0.06 0.82 -0.57 0.00 0.00 179.45 180.65 1gpq h ILE 98 N 0.35 1.10 0.00 1.86 2.04 -0.96 -3.05 117.51 118.85 1gpq h ILE 98 Ca 0.05 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1gpq h ILE 98 Cb 0.74 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1gpq h ILE 98 CO 0.05 0.09 0.00 0.55 0.00 0.00 0.00 178.15 178.84 1gpq n VAL 99 N -4.96 1.02 -0.01 1.67 3.14 -0.40 -1.33 118.33 117.46 1gpq n VAL 99 Ca -0.05 0.28 0.11 0.00 -2.96 0.00 0.00 64.34 61.72 1gpq n VAL 99 Cb 0.08 -1.13 0.28 0.00 -1.06 0.00 0.00 33.84 32.02 1gpq n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1gpq n SER 100 N -1.78 3.57 0.23 6.55 7.64 -1.15 -3.76 113.62 124.91 1gpq n SER 100 Ca 0.03 -1.99 0.15 0.00 1.01 0.00 0.00 58.87 58.07 1gpq n SER 100 Cb 0.17 -0.39 0.51 0.00 -1.01 0.00 0.00 64.21 63.49 1gpq n SER 100 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1gpq h ASP 101 N 4.09 0.00 0.00 6.43 3.58 -1.23 -3.48 116.42 125.81 1gpq h ASP 101 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1gpq h ASP 101 Cb 0.93 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.98 1gpq h ASP 101 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 1gpq n GLY 102 N 0.39 3.53 1.48 -0.78 0.00 -1.26 -4.93 105.19 103.61 1gpq n GLY 102 Ca 0.02 -0.56 0.07 0.00 0.00 0.00 0.00 46.02 45.55 1gpq n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1gpq n ASN 103 N 0.00 4.36 0.00 1.61 5.15 -1.26 -5.04 115.26 120.09 1gpq n ASN 103 Ca 0.00 -2.54 0.00 0.00 -0.60 0.00 0.00 54.58 51.44 1gpq n ASN 103 Cb 0.00 -0.58 0.00 0.00 -0.53 0.00 0.00 39.78 38.67 1gpq n ASN 103 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1gpq n GLY 104 N 0.76 2.59 0.00 8.20 0.00 -1.25 -2.21 105.19 113.27 1gpq n GLY 104 Ca 0.22 -0.32 0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 0.55 0.00 1.61 2.81 -1.26 -2.78 117.12 132.05 1gpq n MET 105 Ca 0.00 0.02 0.04 0.00 -1.81 0.00 0.00 57.70 55.95 1gpq n MET 105 Cb 0.00 -1.50 0.18 0.00 -0.71 0.00 0.00 33.22 31.19 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 -1.06 0.00 0.30 7.83 3.02 -0.94 -1.12 115.26 123.29 1gpq n ASN 106 Ca 0.14 0.44 0.19 0.00 -0.03 0.00 0.00 54.58 55.32 1gpq n ASN 106 Cb 0.09 -0.46 0.95 0.00 -0.61 0.00 0.00 39.78 39.75 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 2.29 1.09 -2.87 5.41 0.00 -1.72 -3.39 119.26 120.07 1gpq h ALA 107 Ca 0.00 -0.02 -0.68 0.00 0.00 0.00 0.00 54.91 54.21 1gpq h ALA 107 Cb 0.13 -0.00 -0.23 0.00 0.00 0.00 0.00 17.79 17.69 1gpq h ALA 107 CO 0.00 0.03 -0.55 -1.58 0.00 0.00 0.00 179.25 177.15 1gpq s TRP 108 N -4.05 3.19 0.21 0.00 0.51 -0.28 -4.97 118.94 113.55 1gpq s TRP 108 Ca -0.03 -0.62 -0.10 0.00 -2.12 0.00 0.00 56.10 53.23 1gpq s TRP 108 Cb 0.12 -2.36 0.22 0.00 -0.81 0.00 0.00 33.47 30.63 1gpq s TRP 108 CO 0.49 -0.48 1.82 0.28 -0.51 0.00 0.00 176.95 178.55 1gpq h VAL 109 N 5.69 1.01 -0.63 4.03 2.07 -1.85 -1.56 116.25 125.01 1gpq h VAL 109 Ca -0.31 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 1gpq h VAL 109 Cb 1.14 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1gpq h VAL 109 CO 0.62 0.14 0.26 0.00 0.02 0.00 0.00 177.57 178.60 1gpq h ALA 110 N 1.33 1.27 -0.27 1.67 0.00 -1.91 -1.19 119.26 120.16 1gpq h ALA 110 Ca 0.29 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1gpq h ALA 110 Cb 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1gpq h ALA 110 CO -0.15 0.54 -0.01 2.35 0.00 0.00 0.00 179.25 181.98 1gpq h TRP 111 N 0.90 0.54 -0.33 0.00 7.01 -1.66 -1.32 115.95 121.08 1gpq h TRP 111 Ca 0.21 -0.10 0.03 0.00 2.11 0.00 0.00 58.89 61.14 1gpq h TRP 111 Cb 0.16 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.06 1gpq h TRP 111 CO 0.01 0.65 0.16 0.00 -2.79 0.00 0.00 178.44 176.47 1gpq h ARG 112 N 0.27 0.32 0.01 2.65 3.08 -0.81 0.90 114.38 120.80 1gpq h ARG 112 Ca 0.08 -0.02 -0.19 0.00 0.07 0.00 0.00 59.98 59.92 1gpq h ARG 112 Cb 0.44 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1gpq h ARG 112 CO 0.02 0.21 -0.88 -0.91 -1.07 0.00 0.00 179.97 177.34 1gpq h ASN 113 N 0.33 0.18 -0.00 7.04 2.35 -1.19 -3.35 115.58 120.94 1gpq h ASN 113 Ca 0.14 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1gpq h ASN 113 Cb 0.06 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.38 1gpq h ASN 113 CO -0.11 0.96 -0.04 0.54 -1.65 0.00 0.00 177.43 177.14 1gpq n ARG 114 N -3.62 6.25 0.00 0.81 5.12 -0.51 -4.89 116.66 119.83 1gpq n ARG 114 Ca -0.03 -0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.86 1gpq n ARG 114 Cb 0.81 -0.57 0.00 0.00 -1.16 0.00 0.00 32.46 31.54 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 -2.61 1.74 -0.97 0.00 4.81 0.11 -1.68 118.16 119.56 1gpq n LYS 116 Ca 0.00 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 1gpq n LYS 116 Cb 0.47 -2.33 0.00 0.00 0.02 0.00 0.00 35.03 33.19 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 2.97 0.55 3.90 3.14 0.00 -1.26 -4.98 105.19 109.51 1gpq n GLY 117 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.37 2.06 -1.35 2.61 -4.23 -0.68 -5.00 115.64 106.69 1gpq s THR 118 Ca 0.00 -1.40 -0.17 0.00 -1.18 0.00 0.00 61.69 58.95 1gpq s THR 118 Cb 0.00 -2.46 0.04 0.00 1.34 0.00 0.00 72.50 71.42 1gpq s THR 118 CO 0.00 0.00 1.98 -0.67 -0.54 0.00 0.00 174.62 175.39 1gpq n ASP 119 N -1.72 4.25 0.31 3.99 2.03 -1.26 -4.76 116.55 119.39 1gpq n ASP 119 Ca 0.02 -2.86 0.18 0.00 0.52 0.00 0.00 54.79 52.64 1gpq n ASP 119 Cb 0.63 -1.68 0.99 0.00 -0.72 0.00 0.00 41.12 40.35 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 4.82 0.33 0.00 5.18 -1.51 -1.91 -1.94 116.25 121.21 1gpq h VAL 120 Ca 0.49 -0.10 -0.00 0.00 -1.23 0.00 0.00 66.70 65.87 1gpq h VAL 120 Cb 0.76 1.07 -0.00 0.00 -2.13 0.00 0.00 31.29 30.99 1gpq h VAL 120 CO 1.67 0.02 -0.01 -0.61 -1.23 0.00 0.00 177.57 177.41 1gpq h GLN 121 N 0.00 0.00 -0.84 5.19 4.15 -1.88 -1.31 115.11 120.41 1gpq h GLN 121 Ca -0.00 0.00 0.20 0.00 0.77 0.00 0.00 58.65 59.62 1gpq h GLN 121 Cb 0.07 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.70 1gpq h GLN 121 CO 0.00 0.01 0.57 0.00 -1.93 0.00 0.00 178.83 177.48 1gpq h ALA 122 N 1.99 2.30 0.00 3.38 0.00 -1.74 -0.19 119.26 124.99 1gpq h ALA 122 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1gpq h ALA 122 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1gpq h ALA 122 CO 0.00 -0.55 0.00 0.91 0.00 0.00 0.00 179.25 179.61 1gpq n TRP 123 N -4.46 0.00 -0.12 0.00 7.02 -0.49 -2.66 117.44 116.73 1gpq n TRP 123 Ca 0.17 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.66 1gpq n TRP 123 Cb 0.69 -0.48 0.00 0.00 -2.42 0.00 0.00 31.31 29.10 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 -1.48 0.92 -2.84 -0.99 -5.35 -0.09 -4.82 119.36 104.70 1gpq n ILE 124 Ca 0.03 -0.93 -0.31 0.00 -0.27 0.00 0.00 62.75 61.27 1gpq n ILE 124 Cb 0.14 0.53 -0.04 0.00 -1.74 0.00 0.00 39.64 38.53 1gpq n ILE 124 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1gpq s ARG 125 N -0.94 3.88 -0.56 6.28 0.52 -1.09 -3.78 118.95 123.26 1gpq s ARG 125 Ca 0.01 0.63 0.00 0.00 -0.52 0.00 0.00 55.73 55.85 1gpq s ARG 125 Cb 0.01 -2.35 0.00 0.00 0.52 0.00 0.00 34.95 33.13 1gpq s ARG 125 CO 0.00 -0.03 0.00 0.41 0.02 0.00 0.00 175.30 175.70 1gpq n GLY 126 N -1.09 0.77 0.77 -3.53 0.00 -1.26 -5.03 105.19 95.82 1gpq n GLY 126 Ca 0.04 -0.82 0.10 0.00 0.00 0.00 0.00 46.02 45.34 1gpq n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32