#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gqp s LEU 3 N 0.00 3.78 0.55 -2.13 2.96 -1.26 -5.11 118.68 117.46 3gqp s LEU 3 Ca 0.00 1.25 -0.01 0.00 -0.22 0.00 0.00 54.13 55.16 3gqp s LEU 3 Cb 0.00 -4.15 0.02 0.00 0.50 0.00 0.00 46.19 42.57 3gqp s LEU 3 CO 0.00 -0.45 0.79 0.42 -1.32 0.00 0.00 176.35 175.79 3gqp s THR 4 N -2.43 3.06 0.14 3.68 -4.23 -1.26 -4.96 115.64 109.63 3gqp s THR 4 Ca 0.53 -0.51 -0.13 0.00 -1.18 0.00 0.00 61.69 60.40 3gqp s THR 4 Cb -0.10 -3.17 -0.00 0.00 1.34 0.00 0.00 72.50 70.57 3gqp s THR 4 CO 0.31 -0.13 1.58 0.00 -0.54 0.00 0.00 174.62 175.84 3gqp h ALA 5 N 0.05 0.60 -0.31 3.99 0.00 -1.99 -1.03 119.26 120.56 3gqp h ALA 5 Ca -0.44 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.22 3gqp h ALA 5 Cb 1.28 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3gqp h ALA 5 CO 0.55 0.39 0.21 1.49 0.00 0.00 0.00 179.25 181.89 3gqp h GLU 6 N 0.63 0.35 0.01 0.00 4.81 -1.99 -0.09 114.58 118.30 3gqp h GLU 6 Ca 0.13 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3gqp h GLU 6 Cb 0.50 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3gqp h GLU 6 CO 0.02 0.23 -0.00 0.93 -0.73 0.00 0.00 179.01 179.46 3gqp h GLU 7 N 0.36 -0.01 -0.96 1.92 5.08 -1.87 -2.66 114.58 116.44 3gqp h GLU 7 Ca 0.12 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.69 3gqp h GLU 7 Cb 0.04 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.21 3gqp h GLU 7 CO -0.03 0.75 0.62 0.87 -1.00 0.00 0.00 179.01 180.22 3gqp h LYS 8 N -0.80 0.51 0.07 2.33 1.57 -1.06 0.89 116.57 120.09 3gqp h LYS 8 Ca -0.00 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3gqp h LYS 8 Cb 0.77 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.96 3gqp h LYS 8 CO 0.00 0.34 -0.04 0.78 -0.57 0.00 0.00 179.45 179.97 3gqp h GLY 9 N 0.53 -0.10 0.94 3.86 0.00 -0.99 0.32 103.07 107.63 3gqp h GLY 9 Ca 0.53 0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.90 3gqp h GLY 9 CO -0.26 -0.04 0.07 1.41 0.00 0.00 0.00 176.54 177.72 3gqp h LEU 10 N -0.21 0.10 0.80 3.11 3.38 -1.05 -2.20 115.31 119.25 3gqp h LEU 10 Ca -0.01 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3gqp h LEU 10 Cb 0.17 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.92 3gqp h LEU 10 CO 0.02 0.08 -0.38 0.58 0.09 0.00 0.00 178.44 178.82 3gqp h VAL 11 N 0.15 0.00 -0.75 1.22 2.07 -0.77 -2.15 116.25 116.02 3gqp h VAL 11 Ca 0.06 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 3gqp h VAL 11 Cb 0.01 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.75 3gqp h VAL 11 CO -0.04 0.00 0.28 0.78 0.02 0.00 0.00 177.57 178.61 3gqp h ASN 12 N -1.24 1.05 -0.15 0.57 2.35 -0.47 -1.12 115.58 116.57 3gqp h ASN 12 Ca -0.11 -0.17 0.04 0.00 -0.55 0.00 0.00 56.30 55.51 3gqp h ASN 12 Cb 0.82 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.88 3gqp h ASN 12 CO 0.18 0.94 -0.11 1.23 -1.65 0.00 0.00 177.43 178.02 3gqp h GLY 13 N 1.13 0.00 1.46 2.83 0.00 -1.47 -2.11 103.07 104.90 3gqp h GLY 13 Ca 0.25 0.14 -0.11 0.00 0.00 0.00 0.00 47.33 47.60 3gqp h GLY 13 CO -0.02 -0.12 -0.27 -2.00 0.00 0.00 0.00 176.54 174.12 3gqp h LEU 14 N -0.12 0.63 -0.91 3.11 5.85 -1.26 -3.27 115.31 119.35 3gqp h LEU 14 Ca 0.09 -0.24 -0.10 0.00 0.84 0.00 0.00 57.88 58.48 3gqp h LEU 14 Cb 0.26 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3gqp h LEU 14 CO -0.22 0.88 -0.28 -0.25 -0.34 0.00 0.00 178.44 178.23 3gqp h TRP 15 N 0.54 0.53 0.00 1.25 2.91 -0.97 -2.45 115.95 117.76 3gqp h TRP 15 Ca 0.07 -0.12 0.00 0.00 1.13 0.00 0.00 58.89 59.97 3gqp h TRP 15 Cb 0.75 -0.13 0.00 0.00 -0.51 0.00 0.00 29.16 29.27 3gqp h TRP 15 CO 0.03 0.71 0.00 0.41 -1.03 0.00 0.00 178.44 178.56 3gqp n GLY 16 N -0.33 -0.76 0.79 2.65 0.00 -0.81 -0.74 105.19 105.99 3gqp n GLY 16 Ca -0.01 0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.20 3gqp n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gqp n LYS 17 N -1.91 1.79 -2.57 1.61 5.02 -0.93 -5.01 118.16 116.16 3gqp n LYS 17 Ca -0.00 -1.76 -0.39 0.00 -2.02 0.00 0.00 58.31 54.14 3gqp n LYS 17 Cb 0.04 -1.36 -0.05 0.00 -0.02 0.00 0.00 35.03 33.64 3gqp n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3gqp s VAL 18 N -1.38 3.72 -1.11 -0.18 1.01 0.08 -5.00 120.40 117.54 3gqp s VAL 18 Ca 0.25 1.55 -0.14 0.00 0.00 0.00 0.00 61.98 63.63 3gqp s VAL 18 Cb 0.16 -3.91 0.19 0.00 0.00 0.00 0.00 36.38 32.81 3gqp s VAL 18 CO 0.23 0.23 1.27 0.21 0.00 0.00 0.00 175.10 177.04 3gqp s ASN 19 N -1.24 7.02 0.52 3.32 3.84 -1.26 -4.90 114.94 122.23 3gqp s ASN 19 Ca 0.49 -2.91 0.28 0.00 0.21 0.00 0.00 52.86 50.93 3gqp s ASN 19 Cb -0.26 -2.35 1.39 0.00 -0.55 0.00 0.00 41.25 39.48 3gqp s ASN 19 CO 0.33 -0.71 1.91 1.62 -2.79 0.00 0.00 177.10 177.46 3gqp h VAL 20 N 4.71 0.62 -0.96 -5.21 3.04 -1.96 0.31 116.25 116.79 3gqp h VAL 20 Ca 0.25 -0.02 0.02 0.00 -1.01 0.00 0.00 66.70 65.93 3gqp h VAL 20 Cb 0.91 0.54 -0.05 0.00 -2.01 0.00 0.00 31.29 30.68 3gqp h VAL 20 CO 1.14 0.01 0.63 0.44 -1.01 0.00 0.00 177.57 178.79 3gqp h ASP 21 N 0.07 1.08 0.00 3.17 3.32 -1.97 -3.31 116.42 118.78 3gqp h ASP 21 Ca 0.39 -0.02 -0.22 0.00 0.02 0.00 0.00 57.03 57.20 3gqp h ASP 21 Cb 1.45 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.70 3gqp h ASP 21 CO -0.03 0.77 -1.67 1.21 -1.72 0.00 0.00 179.24 177.79 3gqp n GLU 22 N -4.41 0.49 -0.02 3.56 2.13 0.56 -4.54 120.64 118.41 3gqp n GLU 22 Ca 0.12 0.21 0.07 0.00 0.66 0.00 0.00 57.16 58.22 3gqp n GLU 22 Cb 0.04 -1.35 0.46 0.00 0.27 0.00 0.00 31.44 30.87 3gqp n GLU 22 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3gqp h VAL 23 N -0.88 1.02 0.64 6.31 2.07 -0.73 0.01 116.25 124.69 3gqp h VAL 23 Ca -0.33 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 3gqp h VAL 23 Cb 1.23 0.50 0.01 0.00 -1.52 0.00 0.00 31.29 31.51 3gqp h VAL 23 CO -0.20 0.09 -0.31 1.23 0.02 0.00 0.00 177.57 178.40 3gqp h GLY 24 N 0.48 -0.90 -0.07 2.17 0.00 -1.76 0.85 103.07 103.85 3gqp h GLY 24 Ca 0.19 0.33 0.24 0.00 0.00 0.00 0.00 47.33 48.10 3gqp h GLY 24 CO -0.05 -0.33 0.62 -1.33 0.00 0.00 0.00 176.54 175.45 3gqp h GLY 25 N -1.16 1.70 0.68 4.60 0.00 -1.60 -2.02 103.07 105.27 3gqp h GLY 25 Ca -0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 3gqp h GLY 25 CO 0.15 -0.17 -0.07 0.83 0.00 0.00 0.00 176.54 177.27 3gqp h GLU 26 N 0.58 0.22 -0.33 4.80 5.08 -0.85 -1.99 114.58 122.09 3gqp h GLU 26 Ca 0.62 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.84 3gqp h GLU 26 Cb 1.21 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 3gqp h GLU 26 CO -0.41 0.61 0.09 0.00 -1.00 0.00 0.00 179.01 178.30 3gqp h ALA 27 N 0.61 0.43 -0.23 3.43 0.00 -0.37 -1.86 119.26 121.27 3gqp h ALA 27 Ca 0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3gqp h ALA 27 Cb 0.55 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3gqp h ALA 27 CO 0.02 0.08 0.05 1.25 0.00 0.00 0.00 179.25 180.65 3gqp h LEU 28 N 0.37 0.36 -0.36 0.00 5.85 -1.45 -0.38 115.31 119.70 3gqp h LEU 28 Ca 0.10 -0.25 0.07 0.00 0.84 0.00 0.00 57.88 58.65 3gqp h LEU 28 Cb 0.27 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.13 3gqp h LEU 28 CO -0.00 0.52 -0.10 1.23 -0.34 0.00 0.00 178.44 179.74 3gqp h GLY 29 N 0.20 0.24 1.35 3.75 0.00 -1.39 -2.37 103.07 104.84 3gqp h GLY 29 Ca 0.07 0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 3gqp h GLY 29 CO 0.00 -0.14 0.28 3.21 0.00 0.00 0.00 176.54 179.89 3gqp h ARG 30 N -0.02 0.85 -0.56 4.80 3.08 -1.09 -1.26 114.38 120.18 3gqp h ARG 30 Ca 0.18 -0.11 0.05 0.00 0.07 0.00 0.00 59.98 60.17 3gqp h ARG 30 Cb 0.28 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.12 3gqp h ARG 30 CO -0.38 0.66 0.28 1.25 -1.07 0.00 0.00 179.97 180.72 3gqp h LEU 31 N 0.85 0.40 -0.81 3.04 5.85 -0.71 0.39 115.31 124.32 3gqp h LEU 31 Ca 0.21 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 3gqp h LEU 31 Cb 0.10 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3gqp h LEU 31 CO -0.03 0.27 -0.31 -0.07 -0.34 0.00 0.00 178.44 177.97 3gqp h LEU 32 N 0.54 0.00 0.00 2.25 3.38 -0.93 -0.52 115.31 120.03 3gqp h LEU 32 Ca 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 3gqp h LEU 32 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3gqp h LEU 32 CO -0.18 0.31 -0.11 0.58 0.09 0.00 0.00 178.44 179.13 3gqp h VAL 33 N 0.00 0.35 -0.55 1.22 2.07 -0.94 -3.30 116.25 115.09 3gqp h VAL 33 Ca -0.00 -1.28 -0.04 0.00 0.82 0.00 0.00 66.70 66.20 3gqp h VAL 33 Cb 0.92 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3gqp h VAL 33 CO 0.04 0.12 0.19 0.58 0.02 0.00 0.00 177.57 178.52 3gqp h VAL 34 N -1.00 1.23 -3.20 2.57 2.07 -0.28 -3.35 116.25 114.29 3gqp h VAL 34 Ca -0.01 -0.76 -0.63 0.00 0.82 0.00 0.00 66.70 66.12 3gqp h VAL 34 Cb 0.28 0.68 -0.42 0.00 -1.52 0.00 0.00 31.29 30.32 3gqp h VAL 34 CO -0.01 0.29 -0.60 -0.31 0.02 0.00 0.00 177.57 176.96 3gqp s TYR 35 N -5.46 3.40 0.47 1.57 2.02 -0.20 -4.99 117.35 114.16 3gqp s TYR 35 Ca -0.13 -3.27 0.14 0.00 -0.37 0.00 0.00 57.07 53.44 3gqp s TYR 35 Cb 0.12 -2.74 1.11 0.00 -0.40 0.00 0.00 41.96 40.06 3gqp s TYR 35 CO 0.79 -0.62 2.08 -1.35 -1.57 0.00 0.00 175.55 174.88 3gqp h PRO 36 N 5.83 0.24 -0.89 -1.71 0.11 -1.71 -2.80 132.00 131.07 3gqp h PRO 36 Ca 0.06 -0.01 0.17 0.00 0.11 0.00 0.00 66.00 66.32 3gqp h PRO 36 Cb 0.81 -0.05 -0.10 0.00 0.11 0.00 0.00 31.00 31.76 3gqp h PRO 36 CO 0.70 0.16 0.47 0.11 -0.21 0.00 0.00 178.00 179.23 3gqp h TRP 37 N 0.24 0.81 -0.69 0.65 0.09 -1.92 -1.81 115.95 113.32 3gqp h TRP 37 Ca 0.12 0.04 0.20 0.00 0.09 0.00 0.00 58.89 59.34 3gqp h TRP 37 Cb 0.18 -0.23 -0.03 0.00 0.08 0.00 0.00 29.16 29.17 3gqp h TRP 37 CO -0.00 0.16 0.62 1.79 0.09 0.00 0.00 178.44 181.10 3gqp h THR 38 N 0.62 0.39 -0.74 0.12 1.35 -1.82 -1.84 112.91 110.98 3gqp h THR 38 Ca 0.50 0.00 0.16 0.00 -0.55 0.00 0.00 66.41 66.52 3gqp h THR 38 Cb 0.77 0.53 -0.05 0.00 -1.73 0.00 0.00 68.15 67.68 3gqp h THR 38 CO -0.39 0.00 0.50 1.56 -0.25 0.00 0.00 175.52 176.94 3gqp h GLN 39 N 0.00 0.33 -0.36 4.72 4.20 -1.51 -2.35 115.11 120.13 3gqp h GLN 39 Ca 0.33 -0.02 0.10 0.00 0.06 0.00 0.00 58.65 59.12 3gqp h GLN 39 Cb 1.57 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.27 3gqp h GLN 39 CO -0.00 0.22 0.27 -0.09 -0.67 0.00 0.00 178.83 178.55 3gqp h ARG 40 N 0.34 0.00 0.00 1.46 2.43 -1.51 0.15 114.38 117.25 3gqp h ARG 40 Ca 0.36 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 3gqp h ARG 40 Cb 0.93 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 3gqp h ARG 40 CO -0.10 0.00 0.00 0.74 -1.51 0.00 0.00 179.97 179.10 3gqp h PHE 41 N 0.00 0.00 -1.25 2.20 0.04 -1.63 -3.36 116.94 112.94 3gqp h PHE 41 Ca 0.17 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.39 3gqp h PHE 41 Cb 0.70 0.00 -0.42 0.00 2.20 0.00 0.00 35.95 38.43 3gqp h PHE 41 CO 0.00 0.00 -0.81 1.19 -0.60 0.00 0.00 178.31 178.09 3gqp n PHE 42 N -2.38 2.97 0.17 -0.55 3.72 0.51 -4.80 117.46 117.11 3gqp n PHE 42 Ca 0.04 -2.84 0.04 0.00 -0.05 0.00 0.00 57.45 54.65 3gqp n PHE 42 Cb 0.39 -0.18 0.28 0.00 -0.94 0.00 0.00 39.48 39.04 3gqp n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3gqp h GLU 43 N 2.52 0.00 0.00 -1.08 5.08 -1.71 -2.96 114.58 116.44 3gqp h GLU 43 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3gqp h GLU 43 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3gqp h GLU 43 CO 0.77 0.43 0.00 -1.13 -1.00 0.00 0.00 179.01 178.09 3gqp n SER 44 N -3.55 0.15 0.12 1.42 3.41 -1.26 -3.34 113.62 110.56 3gqp n SER 44 Ca -0.00 0.54 0.12 0.00 -0.26 0.00 0.00 58.87 59.26 3gqp n SER 44 Cb 0.55 -0.57 0.10 0.00 -0.26 0.00 0.00 64.21 64.03 3gqp n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3gqp h PHE 45 N 0.00 0.00 0.00 7.33 -1.00 -1.92 -3.50 116.94 117.85 3gqp h PHE 45 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3gqp h PHE 45 Cb 0.26 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.82 3gqp h PHE 45 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 3gqp n GLY 46 N 1.21 0.40 3.64 -1.45 0.00 -1.21 -4.63 105.19 103.14 3gqp n GLY 46 Ca 0.02 -1.54 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 3gqp n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gqp s ASP 47 N -4.00 6.71 -0.09 1.61 2.15 -1.26 -4.85 116.67 116.94 3gqp s ASP 47 Ca 0.00 1.40 0.14 0.00 0.43 0.00 0.00 52.55 54.52 3gqp s ASP 47 Cb 0.00 -2.54 0.29 0.00 -0.30 0.00 0.00 42.92 40.38 3gqp s ASP 47 CO 0.00 -1.01 1.14 0.18 -0.17 0.00 0.00 175.17 175.31 3gqp n LEU 48 N 7.43 1.62 0.00 -1.34 4.32 -1.26 -4.22 117.00 123.55 3gqp n LEU 48 Ca 0.15 -2.60 0.13 0.00 -0.02 0.00 0.00 56.01 53.66 3gqp n LEU 48 Cb 0.46 -0.26 0.70 0.00 -1.62 0.00 0.00 43.42 42.69 3gqp n LEU 48 CO 0.61 0.75 0.93 -1.54 -1.22 0.00 0.00 177.39 176.93 3gqp n SER 49 N -0.59 0.00 -3.70 -1.43 3.41 -1.26 -4.75 113.62 105.31 3gqp n SER 49 Ca 0.11 -0.40 -0.08 0.00 -0.26 0.00 0.00 58.87 58.24 3gqp n SER 49 Cb 0.78 -0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 64.55 3gqp n SER 49 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3gqp s SER 50 N -2.32 -0.34 0.10 4.04 1.04 -1.26 -4.99 113.70 109.98 3gqp s SER 50 Ca 0.31 -0.37 -0.23 0.00 0.48 0.00 0.00 55.95 56.14 3gqp s SER 50 Cb 0.17 0.63 -0.11 0.00 0.10 0.00 0.00 66.02 66.82 3gqp s SER 50 CO 0.35 -1.12 1.72 0.00 0.98 0.00 0.00 173.24 175.16 3gqp h ALA 51 N 2.00 -0.04 -0.50 5.32 0.00 -1.97 -0.45 119.26 123.62 3gqp h ALA 51 Ca -0.24 0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.78 3gqp h ALA 51 Cb 1.26 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 19.04 3gqp h ALA 51 CO 0.28 -0.54 -0.26 -0.44 0.00 0.00 0.00 179.25 178.29 3gqp h ASP 52 N -0.08 -0.90 -0.17 0.00 3.32 -1.97 0.18 116.42 116.79 3gqp h ASP 52 Ca 0.03 0.19 0.04 0.00 0.02 0.00 0.00 57.03 57.30 3gqp h ASP 52 Cb 0.12 0.47 -0.03 0.00 0.22 0.00 0.00 39.33 40.10 3gqp h ASP 52 CO -0.06 -0.27 -0.05 0.00 -1.72 0.00 0.00 179.24 177.13 3gqp h ALA 53 N 1.11 0.10 -0.54 3.45 0.00 -1.79 -0.08 119.26 121.52 3gqp h ALA 53 Ca 0.22 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 3gqp h ALA 53 Cb 0.50 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3gqp h ALA 53 CO -0.59 -0.49 0.10 0.82 0.00 0.00 0.00 179.25 179.10 3gqp h ILE 54 N -0.01 1.25 0.00 0.00 2.04 -0.74 -1.90 117.51 118.14 3gqp h ILE 54 Ca 0.09 -0.92 -0.07 0.00 1.00 0.00 0.00 64.86 64.95 3gqp h ILE 54 Cb 0.14 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3gqp h ILE 54 CO -0.18 0.33 -0.35 0.24 0.00 0.00 0.00 178.15 178.19 3gqp h MET 55 N 0.77 0.00 -0.02 2.37 2.86 -0.48 -2.72 114.93 117.71 3gqp h MET 55 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3gqp h MET 55 Cb 0.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 3gqp h MET 55 CO 0.01 0.35 -0.13 -1.13 1.06 0.00 0.00 176.91 177.07 3gqp n SER 56 N -3.44 1.66 -4.65 1.22 3.41 -0.06 -4.96 113.62 106.80 3gqp n SER 56 Ca 0.00 -1.40 -0.43 0.00 -0.26 0.00 0.00 58.87 56.78 3gqp n SER 56 Cb 0.52 0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 64.54 3gqp n SER 56 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3gqp s ASN 57 N -2.20 6.69 0.29 4.04 3.84 -0.73 -4.92 114.94 121.95 3gqp s ASN 57 Ca 0.30 1.93 -0.03 0.00 0.21 0.00 0.00 52.86 55.28 3gqp s ASN 57 Cb 0.20 -2.53 0.40 0.00 -0.55 0.00 0.00 41.25 38.76 3gqp s ASN 57 CO 0.41 -0.95 1.94 0.00 -2.79 0.00 0.00 177.10 175.71 3gqp h ALA 58 N 9.39 1.35 -0.31 1.71 0.00 -1.91 -2.02 119.26 127.47 3gqp h ALA 58 Ca -0.34 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 3gqp h ALA 58 Cb 1.15 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3gqp h ALA 58 CO 0.97 0.57 0.12 0.87 0.00 0.00 0.00 179.25 181.78 3gqp h LYS 59 N 1.12 0.47 -0.13 0.00 1.79 -1.91 -1.91 116.57 116.00 3gqp h LYS 59 Ca 0.30 -0.09 0.01 0.00 -2.18 0.00 0.00 60.65 58.69 3gqp h LYS 59 Cb -0.07 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.49 3gqp h LYS 59 CO -0.06 0.49 0.05 0.28 -1.08 0.00 0.00 179.45 179.13 3gqp h VAL 60 N 0.35 0.98 -0.56 0.50 2.07 -1.82 -1.17 116.25 116.60 3gqp h VAL 60 Ca 0.10 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.61 3gqp h VAL 60 Cb 0.20 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 3gqp h VAL 60 CO -0.01 0.02 0.34 0.11 0.02 0.00 0.00 177.57 178.06 3gqp h LYS 61 N 0.12 0.66 -0.16 1.57 1.57 -1.39 0.40 116.57 119.35 3gqp h LYS 61 Ca 0.06 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 3gqp h LYS 61 Cb 0.03 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 3gqp h LYS 61 CO -0.05 0.44 -0.19 0.00 -0.57 0.00 0.00 179.45 179.07 3gqp h ALA 62 N 1.25 0.23 -0.10 3.86 0.00 -1.19 -2.23 119.26 121.08 3gqp h ALA 62 Ca 0.23 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3gqp h ALA 62 Cb 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3gqp h ALA 62 CO -0.09 0.16 -0.14 1.25 0.00 0.00 0.00 179.25 180.43 3gqp h HIS 63 N 0.04 0.16 -0.26 0.00 -0.00 -1.13 -2.93 115.15 111.03 3gqp h HIS 63 Ca 0.02 -0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.29 3gqp h HIS 63 Cb 0.75 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 28.10 3gqp h HIS 63 CO 0.09 0.30 -0.21 0.78 -0.00 0.00 0.00 177.93 178.89 3gqp h GLY 64 N 0.66 0.51 0.96 5.26 0.00 0.04 -1.77 103.07 108.74 3gqp h GLY 64 Ca 0.03 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 3gqp h GLY 64 CO 0.02 0.36 0.12 0.50 0.00 0.00 0.00 176.54 177.54 3gqp h LYS 65 N 0.43 0.28 -0.78 4.80 1.57 -1.28 -2.13 116.57 119.45 3gqp h LYS 65 Ca 0.07 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 3gqp h LYS 65 Cb 0.60 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 3gqp h LYS 65 CO 0.04 0.24 0.50 0.87 -0.57 0.00 0.00 179.45 180.54 3gqp h LYS 66 N 0.24 0.97 -0.48 3.15 1.57 -1.31 -0.07 116.57 120.66 3gqp h LYS 66 Ca 0.07 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3gqp h LYS 66 Cb 0.04 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 3gqp h LYS 66 CO -0.01 0.65 0.16 0.28 -0.57 0.00 0.00 179.45 179.95 3gqp h VAL 67 N 1.00 1.19 0.07 0.50 2.07 -1.26 -1.17 116.25 118.66 3gqp h VAL 67 Ca 0.30 -0.62 -0.25 0.00 0.82 0.00 0.00 66.70 66.95 3gqp h VAL 67 Cb -0.04 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3gqp h VAL 67 CO -0.09 0.24 -1.09 0.25 0.02 0.00 0.00 177.57 176.90 3gqp h LEU 68 N 0.68 0.41 -1.49 2.57 5.85 -1.00 -2.27 115.31 120.07 3gqp h LEU 68 Ca 0.16 -0.39 0.05 0.00 0.84 0.00 0.00 57.88 58.54 3gqp h LEU 68 Cb 0.18 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 3gqp h LEU 68 CO -0.01 1.25 0.40 0.78 -0.34 0.00 0.00 178.44 180.52 3gqp h ASN 69 N 0.12 0.56 0.67 1.25 2.35 -0.71 0.05 115.58 119.88 3gqp h ASN 69 Ca -0.10 -0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.47 3gqp h ASN 69 Cb 1.78 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 40.00 3gqp h ASN 69 CO 0.18 0.38 -0.83 0.77 -1.65 0.00 0.00 177.43 176.28 3gqp h SER 70 N 0.65 0.13 -0.69 5.81 4.64 -1.06 -0.87 113.55 122.16 3gqp h SER 70 Ca 0.25 -0.11 -0.08 0.00 -0.47 0.00 0.00 61.79 61.39 3gqp h SER 70 Cb 0.19 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.21 3gqp h SER 70 CO -0.07 0.90 0.12 -0.26 -0.87 0.00 0.00 176.83 176.65 3gqp h PHE 71 N 0.06 1.20 -0.70 4.77 0.04 -1.04 0.15 116.94 121.41 3gqp h PHE 71 Ca -0.03 -0.16 0.06 0.00 2.80 0.00 0.00 57.97 60.64 3gqp h PHE 71 Cb 1.44 -0.33 -0.05 0.00 2.20 0.00 0.00 35.95 39.20 3gqp h PHE 71 CO 0.01 0.99 0.41 0.77 -0.60 0.00 0.00 178.31 179.90 3gqp h SER 72 N 1.06 0.62 -0.79 2.17 0.02 -0.82 -1.86 113.55 113.95 3gqp h SER 72 Ca 0.21 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3gqp h SER 72 Cb 0.43 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.83 3gqp h SER 72 CO 0.01 0.40 0.48 0.44 -1.14 0.00 0.00 176.83 177.02 3gqp h ASP 73 N 0.75 0.95 -0.27 3.07 3.32 -0.76 -2.20 116.42 121.27 3gqp h ASP 73 Ca 0.31 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.33 3gqp h ASP 73 Cb 0.17 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3gqp h ASP 73 CO -0.17 0.72 0.12 1.23 -1.72 0.00 0.00 179.24 179.42 3gqp h GLY 74 N 1.11 0.35 0.99 2.75 0.00 -0.18 -2.08 103.07 106.01 3gqp h GLY 74 Ca 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.53 3gqp h GLY 74 CO -0.05 0.06 0.08 1.41 0.00 0.00 0.00 176.54 178.04 3gqp h LEU 75 N 0.26 0.14 -2.00 3.11 3.38 -1.05 0.43 115.31 119.59 3gqp h LEU 75 Ca 0.11 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3gqp h LEU 75 Cb 0.05 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3gqp h LEU 75 CO -0.09 0.11 -0.03 0.11 0.09 0.00 0.00 178.44 178.63 3gqp h LYS 76 N 0.15 0.00 -0.92 1.13 1.79 -1.32 -2.51 116.57 114.89 3gqp h LYS 76 Ca 0.04 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.93 3gqp h LYS 76 Cb -0.01 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.25 3gqp h LYS 76 CO -0.01 0.03 -0.43 0.09 -1.08 0.00 0.00 179.45 178.05 3gqp n ASN 77 N -4.40 5.51 0.20 0.86 3.02 -0.79 -4.83 115.26 114.83 3gqp n ASN 77 Ca -0.03 -3.76 0.15 0.00 -0.03 0.00 0.00 54.58 50.91 3gqp n ASN 77 Cb 0.12 -0.50 0.66 0.00 -0.61 0.00 0.00 39.78 39.45 3gqp n ASN 77 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3gqp h ILE 78 N 2.00 0.00 -0.01 2.41 1.08 -0.46 -2.20 117.51 120.33 3gqp h ILE 78 Ca 0.41 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 64.66 3gqp h ILE 78 Cb 1.29 1.01 0.00 0.00 -3.07 0.00 0.00 36.82 36.05 3gqp h ILE 78 CO 0.95 0.00 -0.26 0.47 -0.69 0.00 0.00 178.15 178.62 3gqp n ASP 79 N -2.57 1.24 -2.87 1.72 8.00 -1.26 -4.38 116.55 116.42 3gqp n ASP 79 Ca 0.00 -1.05 -0.12 0.00 0.71 0.00 0.00 54.79 54.34 3gqp n ASP 79 Cb 0.19 0.17 0.04 0.00 -0.02 0.00 0.00 41.12 41.49 3gqp n ASP 79 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3gqp n ASP 80 N -0.46 -0.16 -0.01 -2.24 2.03 -0.84 -4.80 116.55 110.08 3gqp n ASP 80 Ca 0.12 -3.00 -0.12 0.00 0.52 0.00 0.00 54.79 52.32 3gqp n ASP 80 Cb 0.37 0.23 -0.07 0.00 -0.72 0.00 0.00 41.12 40.93 3gqp n ASP 80 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3gqp h LEU 81 N 2.84 0.11 -0.99 -2.67 3.38 -1.74 -1.20 115.31 115.04 3gqp h LEU 81 Ca -0.06 -0.19 0.24 0.00 0.09 0.00 0.00 57.88 57.96 3gqp h LEU 81 Cb 1.11 -0.03 -0.12 0.00 0.09 0.00 0.00 40.66 41.71 3gqp h LEU 81 CO 0.33 0.27 0.58 0.11 0.09 0.00 0.00 178.44 179.81 3gqp h LYS 82 N -0.06 0.57 -0.01 1.13 1.57 -1.90 0.98 116.57 118.85 3gqp h LYS 82 Ca 0.02 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3gqp h LYS 82 Cb 0.20 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3gqp h LYS 82 CO -0.00 0.37 -0.02 0.78 -0.57 0.00 0.00 179.45 180.01 3gqp h GLY 83 N 0.58 0.03 1.49 3.86 0.00 -1.86 -2.24 103.07 104.94 3gqp h GLY 83 Ca 0.63 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.90 3gqp h GLY 83 CO -0.47 0.04 0.21 0.00 0.00 0.00 0.00 176.54 176.31 3gqp h ALA 84 N 0.42 1.48 -0.58 3.60 0.00 -0.69 -3.13 119.26 120.35 3gqp h ALA 84 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3gqp h ALA 84 Cb 0.62 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3gqp h ALA 84 CO 0.00 0.41 0.00 1.19 0.00 0.00 0.00 179.25 180.85 3gqp n PHE 85 N -4.37 0.77 0.08 0.00 3.72 0.29 -4.61 117.46 113.34 3gqp n PHE 85 Ca 0.04 -0.42 -0.12 0.00 -0.05 0.00 0.00 57.45 56.90 3gqp n PHE 85 Cb 0.14 -0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.61 3gqp n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gqp h ALA 86 N 4.09 -0.16 -0.44 4.37 0.00 -1.34 0.13 119.26 125.90 3gqp h ALA 86 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3gqp h ALA 86 Cb 0.96 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3gqp h ALA 86 CO 0.00 -0.61 0.21 0.87 0.00 0.00 0.00 179.25 179.72 3gqp h LYS 87 N -0.20 0.64 0.00 0.00 1.79 -1.83 -2.28 116.57 114.69 3gqp h LYS 87 Ca 0.02 -0.09 -0.06 0.00 -2.18 0.00 0.00 60.65 58.33 3gqp h LYS 87 Cb 0.22 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 3gqp h LYS 87 CO -0.06 0.55 -0.30 -0.07 -1.08 0.00 0.00 179.45 178.49 3gqp h LEU 88 N 0.58 0.00 0.10 2.94 3.38 -1.85 -1.01 115.31 119.45 3gqp h LEU 88 Ca 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3gqp h LEU 88 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3gqp h LEU 88 CO -0.02 0.30 -0.05 -1.28 0.09 0.00 0.00 178.44 177.49 3gqp h SER 89 N 0.00 -0.12 -0.97 -0.43 0.87 -0.43 -2.35 113.55 110.13 3gqp h SER 89 Ca -0.00 -0.23 0.10 0.00 -1.23 0.00 0.00 61.79 60.43 3gqp h SER 89 Cb 0.69 0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 62.61 3gqp h SER 89 CO 0.04 0.16 0.60 -0.08 -0.53 0.00 0.00 176.83 177.03 3gqp h GLU 90 N -0.41 0.98 0.25 2.24 4.81 -1.15 -1.50 114.58 119.81 3gqp h GLU 90 Ca -0.01 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3gqp h GLU 90 Cb 0.34 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3gqp h GLU 90 CO 0.02 0.65 -0.12 1.25 -0.73 0.00 0.00 179.01 180.08 3gqp h LEU 91 N 1.01 -0.29 -1.19 1.64 5.85 -1.18 -0.65 115.31 120.50 3gqp h LEU 91 Ca 0.46 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 59.12 3gqp h LEU 91 Cb 0.36 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 3gqp h LEU 91 CO -0.23 -0.11 0.55 0.45 -0.34 0.00 0.00 178.44 178.76 3gqp h HIS 92 N -0.46 1.04 0.23 1.25 3.86 -1.17 0.91 115.15 120.82 3gqp h HIS 92 Ca -0.03 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 3gqp h HIS 92 Cb 0.34 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 28.47 3gqp h HIS 92 CO -0.03 0.64 -0.11 0.00 0.86 0.00 0.00 177.93 179.29 3gqp h ASP 94 N -0.56 0.00 0.00 0.00 3.32 -1.11 -2.99 116.42 115.08 3gqp h ASP 94 Ca -0.03 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.91 3gqp h ASP 94 Cb 0.24 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3gqp h ASP 94 CO 0.05 0.34 -1.42 0.29 -1.72 0.00 0.00 179.24 176.78 3gqp n LYS 95 N -3.41 0.33 -0.02 3.56 4.76 0.26 -4.77 118.16 118.86 3gqp n LYS 95 Ca 0.00 0.04 0.07 0.00 -2.87 0.00 0.00 58.31 55.55 3gqp n LYS 95 Cb 0.53 -1.15 -0.16 0.00 -1.84 0.00 0.00 35.03 32.41 3gqp n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3gqp n LEU 96 N -2.69 0.00 -3.23 -0.35 4.77 -0.87 -5.02 117.00 109.60 3gqp n LEU 96 Ca -0.13 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.65 3gqp n LEU 96 Cb 0.64 0.08 0.07 0.00 -2.33 0.00 0.00 43.42 41.89 3gqp n LEU 96 CO 0.08 0.08 0.21 1.41 -1.33 0.00 0.00 177.39 177.84 3gqp n HIS 97 N -2.31 -2.49 -3.05 -1.77 8.25 0.60 -4.97 115.22 109.48 3gqp n HIS 97 Ca -0.09 0.89 -0.41 0.00 -0.26 0.00 0.00 57.72 57.86 3gqp n HIS 97 Cb 0.64 -4.61 -0.05 0.00 1.12 0.00 0.00 29.99 27.09 3gqp n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3gqp s VAL 98 N -3.29 4.97 -0.03 1.59 1.01 -0.64 -4.99 120.40 119.02 3gqp s VAL 98 Ca 0.46 1.29 -0.33 0.00 0.00 0.00 0.00 61.98 63.40 3gqp s VAL 98 Cb -0.20 -3.99 -0.11 0.00 0.00 0.00 0.00 36.38 32.08 3gqp s VAL 98 CO 0.65 0.06 1.89 -0.67 0.00 0.00 0.00 175.10 177.03 3gqp n ASP 99 N 5.30 3.68 0.27 3.32 4.64 -1.26 -4.72 116.55 127.78 3gqp n ASP 99 Ca 0.01 0.96 0.14 0.00 -1.38 0.00 0.00 54.79 54.51 3gqp n ASP 99 Cb 0.49 -1.43 0.75 0.00 -1.04 0.00 0.00 41.12 39.90 3gqp n ASP 99 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 3gqp h PRO 100 N 9.44 0.00 -1.01 -0.67 0.11 -1.96 -2.56 132.00 135.37 3gqp h PRO 100 Ca -0.49 0.00 0.22 0.00 0.11 0.00 0.00 66.00 65.84 3gqp h PRO 100 Cb 1.26 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.25 3gqp h PRO 100 CO 0.94 0.00 0.61 0.93 -0.21 0.00 0.00 178.00 180.27 3gqp h GLU 101 N 0.00 0.64 0.00 1.05 4.39 -1.97 -2.14 114.58 116.54 3gqp h GLU 101 Ca 0.00 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 3gqp h GLU 101 Cb 0.41 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 3gqp h GLU 101 CO 0.00 0.42 -0.22 -0.91 -1.16 0.00 0.00 179.01 177.14 3gqp h ASN 102 N 0.66 0.00 -0.92 1.42 2.35 -1.85 -2.88 115.58 114.36 3gqp h ASN 102 Ca 0.61 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 56.44 3gqp h ASN 102 Cb 1.09 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.39 3gqp h ASN 102 CO -0.43 0.22 0.59 -0.26 -1.65 0.00 0.00 177.43 175.91 3gqp h PHE 103 N 0.00 1.05 -0.49 1.19 0.04 -1.57 -0.36 116.94 116.81 3gqp h PHE 103 Ca -0.00 0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.72 3gqp h PHE 103 Cb 0.50 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 3gqp h PHE 103 CO 0.00 0.53 -0.01 0.00 -0.60 0.00 0.00 178.31 178.23 3gqp h ARG 104 N 1.01 0.82 -0.50 1.51 3.08 -1.63 -0.69 114.38 117.99 3gqp h ARG 104 Ca 0.40 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 3gqp h ARG 104 Cb 0.25 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3gqp h ARG 104 CO -0.16 0.83 0.28 -0.07 -1.07 0.00 0.00 179.97 179.78 3gqp h LEU 105 N 0.76 0.62 -0.60 3.04 3.38 -1.15 -1.19 115.31 120.18 3gqp h LEU 105 Ca 0.15 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 3gqp h LEU 105 Cb 0.48 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3gqp h LEU 105 CO 0.02 0.52 -0.51 0.25 0.09 0.00 0.00 178.44 178.82 3gqp h LEU 106 N 0.66 0.55 -1.03 1.67 5.85 -1.05 -1.85 115.31 120.12 3gqp h LEU 106 Ca 0.18 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.63 3gqp h LEU 106 Cb 0.04 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 3gqp h LEU 106 CO -0.03 0.97 0.65 1.23 -0.34 0.00 0.00 178.44 180.92 3gqp h GLY 107 N 1.11 1.39 2.00 3.75 0.00 -0.98 -1.91 103.07 108.43 3gqp h GLY 107 Ca 0.02 -0.52 -0.12 0.00 0.00 0.00 0.00 47.33 46.71 3gqp h GLY 107 CO 0.09 0.51 -0.55 3.43 0.00 0.00 0.00 176.54 180.02 3gqp h ASN 108 N 1.34 0.00 -0.19 0.19 2.35 -1.03 -2.56 115.58 115.68 3gqp h ASN 108 Ca 0.36 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.93 3gqp h ASN 108 Cb -0.15 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.22 3gqp h ASN 108 CO -0.08 0.55 -0.59 0.58 -1.65 0.00 0.00 177.43 176.24 3gqp h VAL 109 N 0.00 1.30 -0.39 2.81 2.07 -1.20 -2.03 116.25 118.81 3gqp h VAL 109 Ca -0.01 -1.81 0.05 0.00 0.82 0.00 0.00 66.70 65.76 3gqp h VAL 109 Cb 1.28 1.92 -0.05 0.00 -1.52 0.00 0.00 31.29 32.92 3gqp h VAL 109 CO 0.07 0.57 0.11 0.25 0.02 0.00 0.00 177.57 178.59 3gqp h LEU 110 N 0.43 0.09 -0.29 2.57 5.85 -1.34 0.52 115.31 123.14 3gqp h LEU 110 Ca -0.02 0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.81 3gqp h LEU 110 Cb 1.21 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.24 3gqp h LEU 110 CO 0.12 0.08 -0.07 0.58 -0.34 0.00 0.00 178.44 178.81 3gqp h VAL 111 N 0.25 0.71 -0.58 1.05 2.07 -1.41 0.21 116.25 118.55 3gqp h VAL 111 Ca 0.18 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.75 3gqp h VAL 111 Cb 0.19 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 3gqp h VAL 111 CO -0.21 0.00 0.31 0.00 0.02 0.00 0.00 177.57 177.69 3gqp h VAL 113 N 0.60 1.21 -0.98 0.00 2.07 -0.55 0.36 116.25 118.97 3gqp h VAL 113 Ca 0.25 -0.66 0.05 0.00 0.82 0.00 0.00 66.70 67.17 3gqp h VAL 113 Cb 0.14 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 3gqp h VAL 113 CO -0.16 0.25 0.63 -0.07 0.02 0.00 0.00 177.57 178.25 3gqp h LEU 114 N 0.72 1.04 -0.65 2.57 3.38 -0.17 -1.45 115.31 120.75 3gqp h LEU 114 Ca 0.18 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 3gqp h LEU 114 Cb 0.18 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3gqp h LEU 114 CO -0.02 0.69 0.09 0.00 0.09 0.00 0.00 178.44 179.29 3gqp h ALA 115 N 1.42 0.87 -0.26 1.53 0.00 -0.19 -2.80 119.26 119.84 3gqp h ALA 115 Ca 0.40 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 3gqp h ALA 115 Cb 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3gqp h ALA 115 CO -0.15 0.65 -0.37 1.25 0.00 0.00 0.00 179.25 180.63 3gqp h HIS 116 N 1.01 0.68 -0.31 0.00 -0.00 -0.60 0.10 115.15 116.03 3gqp h HIS 116 Ca 0.20 -0.19 -0.15 0.00 -0.00 0.00 0.00 60.37 60.22 3gqp h HIS 116 Cb 0.46 -0.15 -0.00 0.00 -0.00 0.00 0.00 27.41 27.72 3gqp h HIS 116 CO 0.03 0.87 -0.41 0.45 -0.00 0.00 0.00 177.93 178.88 3gqp h HIS 117 N 0.48 1.00 -0.03 5.26 -0.00 -1.28 -3.36 115.15 117.23 3gqp h HIS 117 Ca 0.05 -0.33 0.00 0.00 -0.00 0.00 0.00 60.37 60.09 3gqp h HIS 117 Cb 0.87 -0.20 0.00 0.00 -0.00 0.00 0.00 27.41 28.08 3gqp h HIS 117 CO 0.04 1.13 0.00 1.19 -0.00 0.00 0.00 177.93 180.28 3gqp n PHE 118 N -4.12 0.01 0.00 2.45 3.72 -1.06 -5.05 117.46 113.41 3gqp n PHE 118 Ca -0.04 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 3gqp n PHE 118 Cb 0.55 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.09 3gqp n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gqp n GLY 119 N 0.70 2.09 0.07 1.37 0.00 0.34 -1.15 105.19 108.61 3gqp n GLY 119 Ca 0.07 0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.29 3gqp n GLY 119 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3gqp n HIS 120 N 12.21 0.38 0.22 1.61 8.25 -1.26 -1.11 115.22 135.53 3gqp n HIS 120 Ca 0.00 0.16 0.08 0.00 -0.26 0.00 0.00 57.72 57.70 3gqp n HIS 120 Cb 0.00 -0.76 0.53 0.00 1.12 0.00 0.00 29.99 30.88 3gqp n HIS 120 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 3gqp h ASP 121 N 0.00 0.00 -0.12 0.41 3.32 -1.52 -3.33 116.42 115.19 3gqp h ASP 121 Ca 0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 3gqp h ASP 121 Cb 0.24 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3gqp h ASP 121 CO 0.00 0.24 2.72 0.33 -1.72 0.00 0.00 179.24 180.81 3gqp n PHE 122 N -3.80 3.18 -1.25 4.55 7.35 -0.27 -4.93 117.46 122.30 3gqp n PHE 122 Ca -0.02 -2.58 -0.38 0.00 -0.76 0.00 0.00 57.45 53.71 3gqp n PHE 122 Cb 0.34 -2.34 0.02 0.00 0.35 0.00 0.00 39.48 37.85 3gqp n PHE 122 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3gqp n ASN 123 N 7.11 -3.40 -0.24 -2.13 4.13 -1.25 -4.65 115.26 114.82 3gqp n ASN 123 Ca 0.51 0.60 0.14 0.00 1.68 0.00 0.00 54.58 57.51 3gqp n ASN 123 Cb 0.41 -0.91 0.43 0.00 -1.54 0.00 0.00 39.78 38.16 3gqp n ASN 123 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 3gqp h PRO 124 N -0.14 0.55 -0.31 3.52 0.11 -1.93 0.13 132.00 133.94 3gqp h PRO 124 Ca -0.42 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.52 3gqp h PRO 124 Cb 1.41 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 3gqp h PRO 124 CO 0.40 0.37 -0.31 1.96 -0.21 0.00 0.00 178.00 180.21 3gqp h GLN 125 N 0.57 0.75 -0.18 1.05 1.08 -1.98 -0.43 115.11 115.97 3gqp h GLN 125 Ca 0.43 -0.40 -0.05 0.00 -1.45 0.00 0.00 58.65 57.18 3gqp h GLN 125 Cb 0.83 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.27 3gqp h GLN 125 CO -0.18 1.02 -0.09 0.28 -0.95 0.00 0.00 178.83 178.90 3gqp h VAL 126 N 0.51 1.31 -0.31 -0.54 2.07 -1.82 -1.93 116.25 115.54 3gqp h VAL 126 Ca 0.05 -1.16 0.07 0.00 0.82 0.00 0.00 66.70 66.48 3gqp h VAL 126 Cb 0.88 1.70 -0.08 0.00 -1.52 0.00 0.00 31.29 32.27 3gqp h VAL 126 CO 0.08 0.35 -0.27 -0.61 0.02 0.00 0.00 177.57 177.14 3gqp h GLN 127 N 0.06 -0.23 -0.23 1.57 4.15 -0.80 -1.94 115.11 117.69 3gqp h GLN 127 Ca 0.04 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.48 3gqp h GLN 127 Cb 0.58 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 3gqp h GLN 127 CO 0.03 -0.15 0.15 0.00 -1.93 0.00 0.00 178.83 176.92 3gqp h ALA 128 N 0.82 1.83 -0.03 3.38 0.00 -0.72 0.30 119.26 124.85 3gqp h ALA 128 Ca 0.16 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.83 3gqp h ALA 128 Cb 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3gqp h ALA 128 CO -0.45 0.15 -0.90 0.00 0.00 0.00 0.00 179.25 178.06 3gqp h ALA 129 N 1.86 0.37 0.00 0.00 0.00 -1.19 -2.46 119.26 117.83 3gqp h ALA 129 Ca 0.08 -0.67 -0.13 0.00 0.00 0.00 0.00 54.91 54.19 3gqp h ALA 129 Cb -0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3gqp h ALA 129 CO -0.02 0.77 -0.62 0.74 0.00 0.00 0.00 179.25 180.12 3gqp h PHE 130 N 0.30 0.00 -0.85 0.00 0.04 -0.43 -2.38 116.94 113.63 3gqp h PHE 130 Ca -0.07 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.68 3gqp h PHE 130 Cb 1.52 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.63 3gqp h PHE 130 CO 0.07 0.62 0.46 1.96 -0.60 0.00 0.00 178.31 180.82 3gqp h GLN 131 N 0.00 1.18 -0.19 1.51 1.08 -0.34 -0.40 115.11 117.96 3gqp h GLN 131 Ca -0.01 -0.14 -0.01 0.00 -1.45 0.00 0.00 58.65 57.05 3gqp h GLN 131 Cb 1.30 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 28.49 3gqp h GLN 131 CO 0.08 0.87 0.08 0.87 -0.95 0.00 0.00 178.83 179.78 3gqp h LYS 132 N 1.18 0.28 -0.02 1.46 1.57 -1.22 -1.90 116.57 117.92 3gqp h LYS 132 Ca 0.30 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 59.07 3gqp h LYS 132 Cb 0.03 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.24 3gqp h LYS 132 CO -0.05 0.33 -0.37 0.28 -0.57 0.00 0.00 179.45 179.08 3gqp h VAL 133 N 0.16 0.23 -0.75 0.50 2.07 -1.26 -1.26 116.25 115.94 3gqp h VAL 133 Ca 0.06 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.53 3gqp h VAL 133 Cb 0.15 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 3gqp h VAL 133 CO -0.01 0.00 0.28 -0.37 0.02 0.00 0.00 177.57 177.49 3gqp h VAL 134 N -0.51 1.26 -0.37 2.57 -1.51 -0.98 0.58 116.25 117.29 3gqp h VAL 134 Ca 0.06 -0.83 -0.02 0.00 -1.23 0.00 0.00 66.70 64.67 3gqp h VAL 134 Cb 0.61 0.38 -0.02 0.00 -2.13 0.00 0.00 31.29 30.13 3gqp h VAL 134 CO -0.30 0.34 0.15 0.00 -1.23 0.00 0.00 177.57 176.52 3gqp h ALA 135 N 1.20 0.47 -0.60 5.19 0.00 -1.41 -0.35 119.26 123.76 3gqp h ALA 135 Ca 0.25 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.11 3gqp h ALA 135 Cb 0.24 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 3gqp h ALA 135 CO -0.02 0.07 0.24 0.78 0.00 0.00 0.00 179.25 180.33 3gqp h GLY 136 N 0.44 0.84 0.77 0.00 0.00 -0.49 -0.25 103.07 104.39 3gqp h GLY 136 Ca 0.12 -0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 3gqp h GLY 136 CO -0.01 0.01 -0.07 -2.08 0.00 0.00 0.00 176.54 174.39 3gqp h VAL 137 N 0.43 1.30 -0.51 4.60 2.07 -0.80 0.09 116.25 123.44 3gqp h VAL 137 Ca 0.30 -1.10 0.06 0.00 0.82 0.00 0.00 66.70 66.78 3gqp h VAL 137 Cb 0.34 1.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 3gqp h VAL 137 CO -0.28 0.33 0.20 0.00 0.02 0.00 0.00 177.57 177.84 3gqp h ALA 138 N 0.69 0.63 -0.70 1.67 0.00 -0.99 -0.31 119.26 120.26 3gqp h ALA 138 Ca 0.04 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3gqp h ALA 138 Cb 0.54 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 3gqp h ALA 138 CO 0.02 -0.18 0.44 -0.91 0.00 0.00 0.00 179.25 178.62 3gqp h ASN 139 N 0.40 0.71 -0.24 0.00 -0.26 -0.95 -1.71 115.58 113.54 3gqp h ASN 139 Ca 0.24 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.93 3gqp h ASN 139 Cb 0.23 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.33 3gqp h ASN 139 CO -0.22 0.49 -0.06 0.00 -1.06 0.00 0.00 177.43 176.58 3gqp h ALA 140 N 1.30 0.33 0.00 -0.83 0.00 -0.52 -2.64 119.26 116.90 3gqp h ALA 140 Ca 0.28 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gqp h ALA 140 Cb 0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3gqp h ALA 140 CO -0.11 0.13 -0.01 -0.07 0.00 0.00 0.00 179.25 179.18 3gqp h LEU 141 N 0.20 0.00 0.00 0.00 3.38 -1.04 -2.57 115.31 115.28 3gqp h LEU 141 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3gqp h LEU 141 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3gqp h LEU 141 CO 0.02 0.01 -0.43 0.00 0.09 0.00 0.00 178.44 178.13 3gqp n ALA 142 N -2.11 2.83 -0.23 1.53 0.00 -0.65 -4.37 120.51 117.52 3gqp n ALA 142 Ca -0.01 -0.20 -0.09 0.00 0.00 0.00 0.00 53.44 53.14 3gqp n ALA 142 Cb 0.18 -1.25 0.03 0.00 0.00 0.00 0.00 19.45 18.41 3gqp n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3gqp h HIS 143 N 0.00 1.16 -0.26 0.00 6.17 -1.10 -3.11 115.15 118.01 3gqp h HIS 143 Ca 0.00 -0.18 0.00 0.00 0.71 0.00 0.00 60.37 60.90 3gqp h HIS 143 Cb 0.69 -0.31 0.00 0.00 2.52 0.00 0.00 27.41 30.31 3gqp h HIS 143 CO 0.00 1.00 0.00 1.63 0.71 0.00 0.00 177.93 181.27 3gqp n LYS 144 N -4.21 1.77 -2.28 5.26 4.76 -1.26 -4.87 118.16 117.33 3gqp n LYS 144 Ca 0.04 -1.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.06 3gqp n LYS 144 Cb 0.32 -1.31 -0.03 0.00 -1.84 0.00 0.00 35.03 32.16 3gqp n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3gqp s TYR 145 N -1.64 3.33 0.00 2.13 2.02 -1.18 -4.72 117.35 117.28 3gqp s TYR 145 Ca 0.18 1.14 0.00 0.00 -0.37 0.00 0.00 57.07 58.03 3gqp s TYR 145 Cb 0.10 -3.56 0.00 0.00 -0.40 0.00 0.00 41.96 38.10 3gqp s TYR 145 CO 0.11 -1.85 0.13 -2.39 -1.57 0.00 0.00 175.55 169.98