#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rq4 n HIS 2 N 0.00 0.84 -4.29 3.52 -0.00 -1.26 -4.90 115.22 109.13 1rq4 n HIS 2 Ca 0.00 -0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.37 1rq4 n HIS 2 Cb 0.00 -2.02 -0.09 0.00 -0.00 0.00 0.00 29.99 27.87 1rq4 n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1rq4 s LEU 3 N 10.52 3.65 0.47 0.27 1.43 -1.26 -5.10 118.68 128.66 1rq4 s LEU 3 Ca 1.05 0.14 -0.22 0.00 -1.03 0.00 0.00 54.13 54.07 1rq4 s LEU 3 Cb -0.35 -1.85 -0.08 0.00 0.03 0.00 0.00 46.19 43.93 1rq4 s LEU 3 CO 0.23 0.34 1.08 -0.89 0.23 0.00 0.00 176.35 177.34 1rq4 s THR 4 N -0.63 3.52 0.48 5.49 2.01 -1.26 -4.77 115.64 120.47 1rq4 s THR 4 Ca 0.11 1.04 0.14 0.00 0.31 0.00 0.00 61.69 63.29 1rq4 s THR 4 Cb -0.12 -3.48 0.29 0.00 0.01 0.00 0.00 72.50 69.21 1rq4 s THR 4 CO 0.02 -0.11 2.08 -0.65 -0.69 0.00 0.00 174.62 175.27 1rq4 h PRO 5 N 1.85 0.22 0.00 4.92 0.11 -1.99 1.05 132.00 138.15 1rq4 h PRO 5 Ca -0.49 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 1rq4 h PRO 5 Cb 1.23 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1rq4 h PRO 5 CO 0.60 0.14 -0.57 1.05 -0.21 0.00 0.00 178.00 179.01 1rq4 h GLU 6 N 0.22 0.00 0.01 1.05 9.09 -1.98 -2.14 114.58 120.83 1rq4 h GLU 6 Ca 0.11 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.52 1rq4 h GLU 6 Cb 0.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.28 1rq4 h GLU 6 CO -0.02 0.57 -0.00 0.93 0.05 0.00 0.00 179.01 180.53 1rq4 h GLU 7 N 0.00 -0.01 -1.10 1.06 5.08 -0.83 0.29 114.58 119.07 1rq4 h GLU 7 Ca -0.01 0.00 0.30 0.00 -1.00 0.00 0.00 59.36 58.66 1rq4 h GLU 7 Cb 1.30 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.45 1rq4 h GLU 7 CO 0.07 0.65 0.70 0.87 -1.00 0.00 0.00 179.01 180.31 1rq4 h LYS 8 N -0.68 0.32 -0.01 2.33 1.57 0.92 -1.04 116.57 119.97 1rq4 h LYS 8 Ca -0.00 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 1rq4 h LYS 8 Cb 0.67 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.91 1rq4 h LYS 8 CO 0.00 0.21 -0.38 1.03 -0.57 0.00 0.00 179.45 179.75 1rq4 h SER 9 N 0.33 0.35 -0.95 0.86 0.87 -1.20 -2.65 113.55 111.17 1rq4 h SER 9 Ca 0.65 -0.75 0.11 0.00 -1.23 0.00 0.00 61.79 60.57 1rq4 h SER 9 Cb 1.74 -0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 63.52 1rq4 h SER 9 CO -0.34 1.05 0.60 0.00 -0.53 0.00 0.00 176.83 177.61 1rq4 h ALA 10 N 0.31 1.61 0.00 6.23 0.00 0.31 0.74 119.26 128.46 1rq4 h ALA 10 Ca -0.04 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1rq4 h ALA 10 Cb 1.10 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1rq4 h ALA 10 CO 0.07 0.18 -0.00 0.28 0.00 0.00 0.00 179.25 179.78 1rq4 h VAL 11 N 0.92 1.36 0.08 0.00 2.07 -1.36 -3.00 116.25 116.32 1rq4 h VAL 11 Ca 0.46 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 1rq4 h VAL 11 Cb 0.48 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1rq4 h VAL 11 CO -0.22 0.28 -0.04 0.74 0.02 0.00 0.00 177.57 178.35 1rq4 h THR 12 N -0.46 0.95 -0.62 2.57 2.02 -1.16 -1.20 112.91 115.01 1rq4 h THR 12 Ca -0.00 -0.11 0.11 0.00 0.77 0.00 0.00 66.41 67.19 1rq4 h THR 12 Cb 0.46 1.02 -0.09 0.00 -1.74 0.00 0.00 68.15 67.80 1rq4 h THR 12 CO 0.00 0.03 0.15 0.00 0.37 0.00 0.00 175.52 176.07 1rq4 h ALA 13 N 0.76 0.75 -0.11 6.16 0.00 -0.94 -1.66 119.26 124.21 1rq4 h ALA 13 Ca -0.01 0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 1rq4 h ALA 13 Cb 0.13 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1rq4 h ALA 13 CO 0.02 -0.29 -0.76 1.25 0.00 0.00 0.00 179.25 179.48 1rq4 h LEU 14 N 0.29 0.70 -1.25 0.00 5.85 -1.37 -3.07 115.31 116.46 1rq4 h LEU 14 Ca 0.32 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1rq4 h LEU 14 Cb 0.48 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1rq4 h LEU 14 CO -0.40 1.23 0.33 -0.25 -0.34 0.00 0.00 178.44 179.02 1rq4 h TRP 15 N 0.40 0.83 -0.25 1.25 2.91 -0.62 0.64 115.95 121.11 1rq4 h TRP 15 Ca -0.04 -0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.04 1rq4 h TRP 15 Cb 1.36 -0.27 -0.01 0.00 -0.51 0.00 0.00 29.16 29.73 1rq4 h TRP 15 CO 0.06 0.58 0.56 0.78 -1.03 0.00 0.00 178.44 179.40 1rq4 h GLY 16 N 0.92 0.00 -1.61 2.65 0.00 -1.22 0.25 103.07 104.06 1rq4 h GLY 16 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1rq4 h GLY 16 CO -0.04 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.78 1rq4 n LYS 17 N -3.15 2.10 -2.64 4.80 5.02 0.21 -4.99 118.16 119.51 1rq4 n LYS 17 Ca 0.04 -1.92 -0.41 0.00 -2.02 0.00 0.00 58.31 54.00 1rq4 n LYS 17 Cb 0.68 -1.36 -0.04 0.00 -0.02 0.00 0.00 35.03 34.29 1rq4 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1rq4 s VAL 18 N -1.17 4.19 -0.56 -0.18 1.01 0.88 -4.97 120.40 119.60 1rq4 s VAL 18 Ca 0.27 1.89 -0.23 0.00 0.00 0.00 0.00 61.98 63.91 1rq4 s VAL 18 Cb 0.16 -4.20 0.05 0.00 0.00 0.00 0.00 36.38 32.39 1rq4 s VAL 18 CO 0.22 0.32 0.87 0.21 0.00 0.00 0.00 175.10 176.72 1rq4 s ASN 19 N -0.18 6.28 0.17 3.32 3.84 -1.26 -4.93 114.94 122.18 1rq4 s ASN 19 Ca 0.47 -0.63 -0.13 0.00 0.21 0.00 0.00 52.86 52.78 1rq4 s ASN 19 Cb -0.26 -2.40 0.07 0.00 -0.55 0.00 0.00 41.25 38.11 1rq4 s ASN 19 CO 0.32 -1.19 1.81 0.58 -2.79 0.00 0.00 177.10 175.82 1rq4 h VAL 20 N 5.97 1.17 0.22 -5.21 2.07 -1.96 -1.11 116.25 117.40 1rq4 h VAL 20 Ca -0.27 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 66.88 1rq4 h VAL 20 Cb 1.08 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1rq4 h VAL 20 CO 1.08 0.17 -0.31 0.44 0.02 0.00 0.00 177.57 178.98 1rq4 h ASP 21 N 0.75 -0.85 0.73 0.57 5.19 -1.93 0.26 116.42 121.14 1rq4 h ASP 21 Ca 0.20 0.09 -0.04 0.00 -0.62 0.00 0.00 57.03 56.66 1rq4 h ASP 21 Cb -0.01 0.31 0.01 0.00 0.18 0.00 0.00 39.33 39.81 1rq4 h ASP 21 CO -0.04 -0.42 -0.35 -0.33 -3.12 0.00 0.00 179.24 174.98 1rq4 h GLU 22 N -0.59 -0.95 -0.87 3.56 5.08 -1.95 -2.82 114.58 116.04 1rq4 h GLU 22 Ca 0.01 0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.53 1rq4 h GLU 22 Cb 0.57 0.22 -0.08 0.00 0.50 0.00 0.00 28.75 29.96 1rq4 h GLU 22 CO -0.12 -0.62 0.51 0.28 -1.00 0.00 0.00 179.01 178.07 1rq4 h VAL 23 N -1.06 0.91 -0.36 3.13 2.07 -1.12 -1.13 116.25 118.69 1rq4 h VAL 23 Ca -0.10 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1rq4 h VAL 23 Cb 0.77 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1rq4 h VAL 23 CO 0.17 0.15 0.16 1.23 0.02 0.00 0.00 177.57 179.30 1rq4 h GLY 24 N 0.84 0.56 1.16 2.17 0.00 -0.95 -0.45 103.07 106.41 1rq4 h GLY 24 Ca 0.42 -0.29 -0.12 0.00 0.00 0.00 0.00 47.33 47.34 1rq4 h GLY 24 CO -0.25 0.28 -0.14 -1.33 0.00 0.00 0.00 176.54 175.09 1rq4 h GLY 25 N 0.44 1.05 0.95 4.60 0.00 -1.14 -2.58 103.07 106.38 1rq4 h GLY 25 Ca 0.12 -0.87 -0.07 0.00 0.00 0.00 0.00 47.33 46.51 1rq4 h GLY 25 CO -0.01 0.79 -0.04 -2.09 0.00 0.00 0.00 176.54 175.19 1rq4 h GLU 26 N 0.86 0.70 0.10 4.80 4.81 -1.06 -0.85 114.58 123.95 1rq4 h GLU 26 Ca 0.13 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1rq4 h GLU 26 Cb 0.70 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1rq4 h GLU 26 CO 0.05 0.82 -0.05 0.00 -0.73 0.00 0.00 179.01 179.10 1rq4 h ALA 27 N 0.86 -0.14 -0.39 2.92 0.00 -1.01 -1.51 119.26 119.99 1rq4 h ALA 27 Ca 0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1rq4 h ALA 27 Cb 0.53 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1rq4 h ALA 27 CO 0.03 -0.54 0.12 1.25 0.00 0.00 0.00 179.25 180.11 1rq4 h LEU 28 N -0.21 0.58 -1.21 0.00 5.85 -1.50 -1.40 115.31 117.42 1rq4 h LEU 28 Ca -0.01 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.53 1rq4 h LEU 28 Cb 0.17 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 1rq4 h LEU 28 CO 0.02 0.63 0.55 1.23 -0.34 0.00 0.00 178.44 180.53 1rq4 h GLY 29 N 0.49 1.18 1.77 3.75 0.00 -1.11 -2.10 103.07 107.04 1rq4 h GLY 29 Ca 0.13 -0.41 -0.15 0.00 0.00 0.00 0.00 47.33 46.91 1rq4 h GLY 29 CO -0.00 0.35 -0.60 3.21 0.00 0.00 0.00 176.54 179.50 1rq4 h ARG 30 N 1.03 0.24 -0.79 4.80 3.08 -0.85 -1.92 114.38 119.97 1rq4 h ARG 30 Ca 0.33 -0.16 0.02 0.00 0.07 0.00 0.00 59.98 60.24 1rq4 h ARG 30 Cb 0.04 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.06 1rq4 h ARG 30 CO -0.10 0.77 0.51 1.25 -1.07 0.00 0.00 179.97 181.33 1rq4 h LEU 31 N 0.18 0.86 -0.81 3.04 5.85 -0.62 0.70 115.31 124.51 1rq4 h LEU 31 Ca -0.01 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 1rq4 h LEU 31 Cb 1.10 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1rq4 h LEU 31 CO 0.09 0.60 -0.39 -0.07 -0.34 0.00 0.00 178.44 178.34 1rq4 h LEU 32 N 1.01 0.00 0.07 2.25 3.38 -1.00 -1.96 115.31 119.07 1rq4 h LEU 32 Ca 0.31 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.01 1rq4 h LEU 32 Cb -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1rq4 h LEU 32 CO -0.10 0.39 -1.40 0.58 0.09 0.00 0.00 178.44 178.00 1rq4 h VAL 33 N 0.00 0.95 -0.06 1.22 2.07 -0.96 -3.31 116.25 116.16 1rq4 h VAL 33 Ca -0.00 -2.31 -0.14 0.00 0.82 0.00 0.00 66.70 65.07 1rq4 h VAL 33 Cb 0.96 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 33.26 1rq4 h VAL 33 CO 0.05 0.61 -0.59 0.58 0.02 0.00 0.00 177.57 178.24 1rq4 h VAL 34 N -0.50 1.39 -2.60 2.57 2.07 -0.94 -3.35 116.25 114.88 1rq4 h VAL 34 Ca -0.33 -1.95 -0.60 0.00 0.82 0.00 0.00 66.70 64.64 1rq4 h VAL 34 Cb 1.62 2.00 -0.41 0.00 -1.52 0.00 0.00 31.29 32.98 1rq4 h VAL 34 CO -0.03 0.57 -0.72 -1.22 0.02 0.00 0.00 177.57 176.19 1rq4 n TYR 35 N -3.88 2.05 0.14 1.57 4.01 -0.74 -4.98 117.16 115.33 1rq4 n TYR 35 Ca -0.02 -3.98 0.18 0.00 -0.16 0.00 0.00 57.90 53.93 1rq4 n TYR 35 Cb 0.60 -0.39 0.78 0.00 -0.31 0.00 0.00 39.34 40.02 1rq4 n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1rq4 h PRO 36 N 5.00 0.00 0.00 -0.72 0.11 -1.71 -1.54 132.00 133.14 1rq4 h PRO 36 Ca 0.18 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.27 1rq4 h PRO 36 Cb 0.78 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 1rq4 h PRO 36 CO 0.64 0.00 -0.08 0.11 -0.21 0.00 0.00 178.00 178.46 1rq4 h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.92 -1.68 115.95 113.09 1rq4 h TRP 37 Ca 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 58.89 59.12 1rq4 h TRP 37 Cb 0.75 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.99 1rq4 h TRP 37 CO 0.00 0.08 -0.02 1.79 0.09 0.00 0.00 178.44 180.38 1rq4 h THR 38 N 0.00 0.17 0.00 0.12 1.35 -1.59 -2.35 112.91 110.61 1rq4 h THR 38 Ca -0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1rq4 h THR 38 Cb 0.28 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 1rq4 h THR 38 CO 0.01 0.02 0.06 0.00 -0.25 0.00 0.00 175.52 175.36 1rq4 n GLN 39 N -3.29 0.13 0.26 4.72 6.02 -0.63 -2.33 117.38 122.27 1rq4 n GLN 39 Ca -0.02 0.63 0.16 0.00 -0.01 0.00 0.00 57.00 57.75 1rq4 n GLN 39 Cb 0.14 -2.00 0.88 0.00 1.02 0.00 0.00 30.24 30.28 1rq4 n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1rq4 h ARG 40 N 0.00 0.00 0.00 -1.09 0.11 -1.65 -2.32 114.38 109.43 1rq4 h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1rq4 h ARG 40 Cb 0.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.21 1rq4 h ARG 40 CO 0.00 0.00 -0.68 1.19 0.10 0.00 0.00 179.97 180.58 1rq4 n PHE 41 N -3.83 0.33 -1.73 4.08 3.72 -0.98 -4.22 117.46 114.83 1rq4 n PHE 41 Ca -0.01 0.10 -0.09 0.00 -0.05 0.00 0.00 57.45 57.40 1rq4 n PHE 41 Cb 0.19 -0.49 0.13 0.00 -0.94 0.00 0.00 39.48 38.37 1rq4 n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1rq4 n PHE 42 N -1.90 1.36 -0.36 1.38 3.72 -0.87 -4.84 117.46 115.95 1rq4 n PHE 42 Ca 0.04 -1.86 0.10 0.00 -0.05 0.00 0.00 57.45 55.68 1rq4 n PHE 42 Cb 0.41 -0.37 0.29 0.00 -0.94 0.00 0.00 39.48 38.86 1rq4 n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1rq4 h GLU 43 N 1.49 0.84 0.00 -1.08 4.39 -1.73 -1.59 114.58 116.90 1rq4 h GLU 43 Ca 0.20 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1rq4 h GLU 43 Cb 1.31 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1rq4 h GLU 43 CO 0.42 0.56 0.00 -1.13 -1.16 0.00 0.00 179.01 177.70 1rq4 n SER 44 N -4.69 0.00 0.23 1.42 3.41 -1.26 -3.32 113.62 109.41 1rq4 n SER 44 Ca 0.21 0.49 0.12 0.00 -0.26 0.00 0.00 58.87 59.43 1rq4 n SER 44 Cb 0.47 -0.49 0.37 0.00 -0.26 0.00 0.00 64.21 64.30 1rq4 n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1rq4 h PHE 45 N 0.00 0.00 0.00 7.33 -1.00 -1.69 -3.49 116.94 118.09 1rq4 h PHE 45 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1rq4 h PHE 45 Cb 0.22 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.78 1rq4 h PHE 45 CO 0.00 0.10 0.00 0.41 -1.61 0.00 0.00 178.31 177.21 1rq4 n GLY 46 N 0.60 0.32 3.71 -1.45 0.00 -1.21 -4.78 105.19 102.38 1rq4 n GLY 46 Ca 0.02 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 1rq4 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rq4 s ASP 47 N -4.00 6.96 0.00 1.61 2.15 -1.26 -4.87 116.67 117.26 1rq4 s ASP 47 Ca 0.00 2.15 0.10 0.00 0.43 0.00 0.00 52.55 55.23 1rq4 s ASP 47 Cb 0.00 -2.58 0.17 0.00 -0.30 0.00 0.00 42.92 40.21 1rq4 s ASP 47 CO 0.00 -0.56 1.03 0.18 -0.17 0.00 0.00 175.17 175.66 1rq4 n LEU 48 N 4.01 0.34 -0.03 -1.34 4.77 -1.26 -4.36 117.00 119.12 1rq4 n LEU 48 Ca 0.10 -1.44 -0.01 0.00 -0.03 0.00 0.00 56.01 54.63 1rq4 n LEU 48 Cb 0.45 0.00 0.28 0.00 -2.33 0.00 0.00 43.42 41.81 1rq4 n LEU 48 CO 0.57 0.46 0.95 0.77 -1.33 0.00 0.00 177.39 178.81 1rq4 h SER 49 N 0.39 0.55 -2.91 -1.43 4.64 -1.96 -3.44 113.55 109.39 1rq4 h SER 49 Ca -0.12 -0.10 -0.50 0.00 -0.47 0.00 0.00 61.79 60.60 1rq4 h SER 49 Cb 1.57 -0.14 -0.14 0.00 -0.31 0.00 0.00 62.40 63.38 1rq4 h SER 49 CO 0.02 0.60 -0.68 0.42 -0.87 0.00 0.00 176.83 176.32 1rq4 s THR 50 N -5.04 1.69 0.23 2.95 -4.23 -1.26 -5.04 115.64 104.94 1rq4 s THR 50 Ca -0.08 -2.14 -0.07 0.00 -1.18 0.00 0.00 61.69 58.22 1rq4 s THR 50 Cb 0.16 -2.42 0.20 0.00 1.34 0.00 0.00 72.50 71.77 1rq4 s THR 50 CO 0.77 -0.32 1.86 -0.65 -0.54 0.00 0.00 174.62 175.74 1rq4 h PRO 51 N 2.29 0.96 -0.29 3.99 0.11 -1.98 -1.50 132.00 135.58 1rq4 h PRO 51 Ca -0.40 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1rq4 h PRO 51 Cb 1.23 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1rq4 h PRO 51 CO 0.67 0.64 0.05 -0.44 -0.21 0.00 0.00 178.00 178.70 1rq4 h ASP 52 N 0.99 0.46 -0.12 -2.05 3.32 -1.98 0.17 116.42 117.22 1rq4 h ASP 52 Ca 0.34 -0.26 0.03 0.00 0.02 0.00 0.00 57.03 57.17 1rq4 h ASP 52 Cb 0.07 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 1rq4 h ASP 52 CO -0.14 0.60 -0.10 0.00 -1.72 0.00 0.00 179.24 177.89 1rq4 h ALA 53 N 0.87 -0.00 -0.19 3.45 0.00 -1.85 -0.63 119.26 120.91 1rq4 h ALA 53 Ca 0.09 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1rq4 h ALA 53 Cb 0.34 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1rq4 h ALA 53 CO 0.01 -0.55 0.01 0.28 0.00 0.00 0.00 179.25 178.99 1rq4 h VAL 54 N -0.11 0.88 0.00 0.00 2.07 -0.96 0.12 116.25 118.24 1rq4 h VAL 54 Ca 0.08 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1rq4 h VAL 54 Cb 0.23 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1rq4 h VAL 54 CO -0.19 0.01 0.00 0.24 0.02 0.00 0.00 177.57 177.66 1rq4 h MET 55 N 0.08 0.00 0.00 1.57 2.07 -0.40 -2.91 114.93 115.34 1rq4 h MET 55 Ca 0.09 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.72 1rq4 h MET 55 Cb 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.84 1rq4 h MET 55 CO -0.14 0.00 -1.17 0.41 1.07 0.00 0.00 176.91 177.08 1rq4 n GLY 56 N 0.13 -1.03 3.61 8.32 0.00 -0.27 -4.92 105.19 111.04 1rq4 n GLY 56 Ca 0.01 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 1rq4 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rq4 s ASN 57 N -3.36 5.91 0.56 1.61 3.84 0.35 -4.87 114.94 118.97 1rq4 s ASN 57 Ca 0.05 1.74 0.31 0.00 0.21 0.00 0.00 52.86 55.17 1rq4 s ASN 57 Cb 0.16 -2.52 1.69 0.00 -0.55 0.00 0.00 41.25 40.02 1rq4 s ASN 57 CO 0.86 -1.62 2.16 1.55 -2.79 0.00 0.00 177.10 177.26 1rq4 h PRO 58 N 12.91 0.00 0.00 0.43 0.13 -1.90 -1.05 132.00 142.52 1rq4 h PRO 58 Ca -0.38 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.58 1rq4 h PRO 58 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1rq4 h PRO 58 CO 0.99 0.06 -0.82 0.87 -0.23 0.00 0.00 178.00 178.87 1rq4 h LYS 59 N 0.00 0.00 -0.31 0.86 1.57 -1.89 -1.80 116.57 115.00 1rq4 h LYS 59 Ca -0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1rq4 h LYS 59 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1rq4 h LYS 59 CO 0.01 0.82 -0.10 0.28 -0.57 0.00 0.00 179.45 179.89 1rq4 h VAL 60 N 0.00 1.29 -0.27 0.50 2.07 -1.55 -0.46 116.25 117.83 1rq4 h VAL 60 Ca -0.01 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 1rq4 h VAL 60 Cb 1.46 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 1rq4 h VAL 60 CO 0.11 0.37 0.13 0.11 0.02 0.00 0.00 177.57 178.32 1rq4 h LYS 61 N 0.37 0.39 -0.36 1.57 1.57 -1.39 0.20 116.57 118.92 1rq4 h LYS 61 Ca 0.07 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 1rq4 h LYS 61 Cb 0.60 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1rq4 h LYS 61 CO 0.04 0.38 -0.20 0.00 -0.57 0.00 0.00 179.45 179.10 1rq4 h ALA 62 N 1.00 0.98 -0.06 3.86 0.00 -1.29 -2.18 119.26 121.57 1rq4 h ALA 62 Ca 0.09 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.51 1rq4 h ALA 62 Cb 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1rq4 h ALA 62 CO -0.01 0.60 -0.62 1.25 0.00 0.00 0.00 179.25 180.47 1rq4 h HIS 63 N 0.61 0.29 -0.62 0.00 -0.00 -0.90 -2.94 115.15 111.59 1rq4 h HIS 63 Ca 0.09 -0.11 0.03 0.00 -0.00 0.00 0.00 60.37 60.38 1rq4 h HIS 63 Cb 0.67 -0.05 -0.04 0.00 -0.00 0.00 0.00 27.41 27.99 1rq4 h HIS 63 CO 0.03 0.78 0.37 0.78 -0.00 0.00 0.00 177.93 179.89 1rq4 h GLY 64 N 1.52 0.89 1.71 5.26 0.00 -0.01 -1.73 103.07 110.70 1rq4 h GLY 64 Ca -0.01 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 1rq4 h GLY 64 CO 0.09 0.23 -0.11 1.70 0.00 0.00 0.00 176.54 178.45 1rq4 h LYS 65 N 0.73 0.36 0.00 4.80 3.64 -1.38 -2.00 116.57 122.72 1rq4 h LYS 65 Ca 0.25 -0.09 -0.24 0.00 -1.27 0.00 0.00 60.65 59.31 1rq4 h LYS 65 Cb 0.04 -0.05 0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1rq4 h LYS 65 CO -0.11 0.47 -0.92 -0.22 -2.27 0.00 0.00 179.45 176.40 1rq4 h LYS 66 N 0.34 0.62 -0.05 1.90 3.64 -1.26 -2.04 116.57 119.71 1rq4 h LYS 66 Ca 0.07 -0.67 0.01 0.00 -1.27 0.00 0.00 60.65 58.79 1rq4 h LYS 66 Cb 0.40 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1rq4 h LYS 66 CO 0.02 1.27 -0.02 0.28 -2.27 0.00 0.00 179.45 178.73 1rq4 h VAL 67 N 0.25 0.93 0.00 2.00 2.07 -1.17 -2.37 116.25 117.97 1rq4 h VAL 67 Ca -0.12 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1rq4 h VAL 67 Cb 1.60 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1rq4 h VAL 67 CO 0.18 0.00 -0.14 -0.07 0.02 0.00 0.00 177.57 177.56 1rq4 h LEU 68 N -0.01 0.00 0.20 2.57 4.07 -1.38 -1.22 115.31 119.55 1rq4 h LEU 68 Ca 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 1rq4 h LEU 68 Cb 0.05 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.79 1rq4 h LEU 68 CO -0.06 0.14 -0.10 1.23 -1.08 0.00 0.00 178.44 178.57 1rq4 h GLY 69 N 0.74 -0.29 1.00 0.83 0.00 -0.87 0.11 103.07 104.60 1rq4 h GLY 69 Ca -0.00 0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.49 1rq4 h GLY 69 CO 0.02 -0.10 0.52 0.00 0.00 0.00 0.00 176.54 176.97 1rq4 h ALA 70 N 0.51 1.62 0.26 3.60 0.00 -0.89 -2.26 119.26 122.10 1rq4 h ALA 70 Ca -0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1rq4 h ALA 70 Cb 0.22 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1rq4 h ALA 70 CO 0.05 0.27 -0.13 0.35 0.00 0.00 0.00 179.25 179.79 1rq4 h PHE 71 N 0.87 -0.33 -0.81 0.00 3.04 -0.84 -2.72 116.94 116.14 1rq4 h PHE 71 Ca 0.33 -0.01 0.20 0.00 3.98 0.00 0.00 57.97 62.47 1rq4 h PHE 71 Cb 0.20 0.11 -0.13 0.00 2.56 0.00 0.00 35.95 38.69 1rq4 h PHE 71 CO -0.00 -0.09 0.18 0.77 -2.02 0.00 0.00 178.31 177.15 1rq4 h SER 72 N -0.51 -0.04 -0.71 0.41 0.02 -0.22 0.40 113.55 112.89 1rq4 h SER 72 Ca -0.04 0.18 0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1rq4 h SER 72 Cb 0.38 0.25 -0.04 0.00 0.14 0.00 0.00 62.40 63.13 1rq4 h SER 72 CO 0.06 -0.11 0.47 0.44 -1.14 0.00 0.00 176.83 176.55 1rq4 h ASP 73 N 0.22 0.80 -0.10 3.07 3.32 -1.32 -1.47 116.42 120.94 1rq4 h ASP 73 Ca 0.48 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.49 1rq4 h ASP 73 Cb 0.90 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 1rq4 h ASP 73 CO -0.60 0.57 0.01 1.23 -1.72 0.00 0.00 179.24 178.72 1rq4 h GLY 74 N 0.94 0.29 2.00 2.75 0.00 0.10 -1.44 103.07 107.70 1rq4 h GLY 74 Ca 0.27 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.42 1rq4 h GLY 74 CO -0.06 0.14 -0.15 1.41 0.00 0.00 0.00 176.54 177.88 1rq4 h LEU 75 N 0.27 0.00 -0.00 3.11 3.38 -0.87 -1.86 115.31 119.33 1rq4 h LEU 75 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1rq4 h LEU 75 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1rq4 h LEU 75 CO 0.00 0.15 -0.01 0.00 0.09 0.00 0.00 178.44 178.67 1rq4 n ALA 76 N -2.18 2.40 -1.81 1.53 0.00 -0.56 -3.83 120.51 116.07 1rq4 n ALA 76 Ca 0.00 -0.12 0.06 0.00 0.00 0.00 0.00 53.44 53.38 1rq4 n ALA 76 Cb 0.38 -1.47 0.15 0.00 0.00 0.00 0.00 19.45 18.51 1rq4 n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1rq4 n HIS 77 N -1.42 0.00 0.14 0.00 8.25 -0.73 -4.90 115.22 116.56 1rq4 n HIS 77 Ca 0.09 -1.14 0.19 0.00 -0.26 0.00 0.00 57.72 56.61 1rq4 n HIS 77 Cb 0.31 -0.21 0.73 0.00 1.12 0.00 0.00 29.99 31.94 1rq4 n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1rq4 h LEU 78 N 0.87 0.00 -0.14 2.41 3.38 -1.59 1.65 115.31 121.89 1rq4 h LEU 78 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1rq4 h LEU 78 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1rq4 h LEU 78 CO 0.03 0.00 -0.17 0.47 0.09 0.00 0.00 178.44 178.86 1rq4 n ASP 79 N -3.47 0.39 -3.01 -0.43 8.00 -1.26 -3.84 116.55 112.93 1rq4 n ASP 79 Ca 0.06 -0.28 -0.15 0.00 0.71 0.00 0.00 54.79 55.13 1rq4 n ASP 79 Cb 0.62 -0.10 -0.00 0.00 -0.02 0.00 0.00 41.12 41.62 1rq4 n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1rq4 n ASN 80 N -1.18 0.64 -0.24 -2.24 5.15 0.56 -4.89 115.26 113.07 1rq4 n ASN 80 Ca 0.11 -2.98 -0.04 0.00 -0.60 0.00 0.00 54.58 51.07 1rq4 n ASN 80 Cb 0.30 -0.34 0.06 0.00 -0.53 0.00 0.00 39.78 39.28 1rq4 n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1rq4 h LEU 81 N 2.97 0.72 -0.37 1.20 3.38 -1.72 -2.46 115.31 119.02 1rq4 h LEU 81 Ca 0.02 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.05 1rq4 h LEU 81 Cb 1.04 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 1rq4 h LEU 81 CO 0.45 0.51 -0.01 0.11 0.09 0.00 0.00 178.44 179.59 1rq4 h LYS 82 N 0.85 0.08 -0.32 1.13 6.56 -1.91 -2.31 116.57 120.65 1rq4 h LYS 82 Ca 0.26 -0.01 -0.14 0.00 -1.06 0.00 0.00 60.65 59.70 1rq4 h LYS 82 Cb -0.03 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.60 1rq4 h LYS 82 CO -0.08 0.06 -0.38 0.78 -2.06 0.00 0.00 179.45 177.76 1rq4 h GLY 83 N 0.09 0.82 1.05 3.86 0.00 -1.92 -2.22 103.07 104.75 1rq4 h GLY 83 Ca 0.18 -0.81 -0.01 0.00 0.00 0.00 0.00 47.33 46.69 1rq4 h GLY 83 CO -0.32 0.74 0.54 -0.84 0.00 0.00 0.00 176.54 176.66 1rq4 h THR 84 N 0.62 1.25 -0.42 4.70 2.02 -1.17 -3.19 112.91 116.72 1rq4 h THR 84 Ca 0.06 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.66 1rq4 h THR 84 Cb 0.92 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1rq4 h THR 84 CO 0.08 0.27 0.00 0.49 0.37 0.00 0.00 175.52 176.74 1rq4 n PHE 85 N -4.35 1.03 0.03 3.16 3.72 -0.89 -4.66 117.46 115.50 1rq4 n PHE 85 Ca 0.10 -0.68 -0.10 0.00 -0.05 0.00 0.00 57.45 56.72 1rq4 n PHE 85 Cb 0.07 -0.22 -0.04 0.00 -0.94 0.00 0.00 39.48 38.34 1rq4 n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rq4 h ALA 86 N 2.68 -0.08 0.00 4.37 0.00 -1.39 0.20 119.26 125.04 1rq4 h ALA 86 Ca 0.00 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1rq4 h ALA 86 Cb 1.27 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 1rq4 h ALA 86 CO 0.18 -0.59 -0.51 1.79 0.00 0.00 0.00 179.25 180.11 1rq4 h THR 87 N -0.16 1.10 -0.06 0.00 1.35 -1.84 -0.24 112.91 113.05 1rq4 h THR 87 Ca 0.06 -1.95 -0.18 0.00 -0.55 0.00 0.00 66.41 63.78 1rq4 h THR 87 Cb 0.24 2.14 -0.01 0.00 -1.73 0.00 0.00 68.15 68.79 1rq4 h THR 87 CO -0.14 0.50 -0.75 0.25 -0.25 0.00 0.00 175.52 175.13 1rq4 h LEU 88 N 0.00 0.43 0.09 3.87 5.85 -1.76 -0.27 115.31 123.52 1rq4 h LEU 88 Ca -0.01 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.42 1rq4 h LEU 88 Cb 1.10 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.00 1rq4 h LEU 88 CO 0.07 1.03 -0.05 -1.28 -0.34 0.00 0.00 178.44 177.87 1rq4 h SER 89 N 0.23 -0.11 -0.55 1.25 0.87 -0.09 -0.14 113.55 115.02 1rq4 h SER 89 Ca -0.03 -0.24 0.11 0.00 -1.23 0.00 0.00 61.79 60.39 1rq4 h SER 89 Cb 1.33 0.03 -0.09 0.00 -0.44 0.00 0.00 62.40 63.23 1rq4 h SER 89 CO 0.13 0.18 0.04 -0.33 -0.53 0.00 0.00 176.83 176.32 1rq4 h GLU 90 N -0.41 0.15 0.14 2.24 5.08 -0.97 -2.62 114.58 118.19 1rq4 h GLU 90 Ca -0.01 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1rq4 h GLU 90 Cb 0.34 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1rq4 h GLU 90 CO 0.02 0.10 -0.07 1.25 -1.00 0.00 0.00 179.01 179.31 1rq4 h LEU 91 N 0.16 -0.16 -0.92 1.33 5.85 -0.89 0.69 115.31 121.36 1rq4 h LEU 91 Ca 0.28 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1rq4 h LEU 91 Cb 0.43 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1rq4 h LEU 91 CO -0.43 -0.03 0.00 1.41 -0.34 0.00 0.00 178.44 179.04 1rq4 n HIS 92 N -5.13 0.00 0.00 1.25 8.25 -0.08 -2.17 115.22 117.34 1rq4 n HIS 92 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1rq4 n HIS 92 Cb 0.13 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.23 1rq4 n HIS 92 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1rq4 n ASP 94 N 0.38 0.00 -0.11 0.41 8.00 0.24 -1.28 116.55 124.19 1rq4 n ASP 94 Ca 0.00 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.30 1rq4 n ASP 94 Cb 0.02 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.00 1rq4 n ASP 94 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1rq4 n LYS 95 N -2.26 0.66 0.10 -1.24 4.01 -0.92 -4.64 118.16 113.87 1rq4 n LYS 95 Ca 0.00 0.20 0.09 0.00 -0.51 0.00 0.00 58.31 58.09 1rq4 n LYS 95 Cb 0.00 -1.56 -0.01 0.00 -0.51 0.00 0.00 35.03 32.95 1rq4 n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1rq4 h LEU 96 N -0.16 0.00 -2.36 -0.35 3.38 -1.55 -3.49 115.31 110.78 1rq4 h LEU 96 Ca -0.56 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.04 1rq4 h LEU 96 Cb 1.86 0.00 0.11 0.00 0.09 0.00 0.00 40.66 42.73 1rq4 h LEU 96 CO -0.11 0.12 -0.87 1.41 0.09 0.00 0.00 178.44 179.09 1rq4 n HIS 97 N -2.75 -2.08 -3.64 1.13 8.25 -0.87 -4.99 115.22 110.27 1rq4 n HIS 97 Ca -0.02 0.74 -0.37 0.00 -0.26 0.00 0.00 57.72 57.82 1rq4 n HIS 97 Cb 0.61 -4.10 -0.09 0.00 1.12 0.00 0.00 29.99 27.52 1rq4 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1rq4 s VAL 98 N -3.51 5.35 -0.05 1.59 1.01 -0.40 -5.04 120.40 119.34 1rq4 s VAL 98 Ca 0.26 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 62.15 1rq4 s VAL 98 Cb -0.06 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 1rq4 s VAL 98 CO 0.80 0.34 1.49 -0.62 0.00 0.00 0.00 175.10 177.10 1rq4 s ASP 99 N 1.09 6.78 0.60 3.32 2.15 -1.26 -4.87 116.67 124.49 1rq4 s ASP 99 Ca 0.08 2.09 0.31 0.00 0.43 0.00 0.00 52.55 55.47 1rq4 s ASP 99 Cb -0.14 -2.54 1.85 0.00 -0.30 0.00 0.00 42.92 41.78 1rq4 s ASP 99 CO 0.05 -0.82 2.21 -0.65 -0.17 0.00 0.00 175.17 175.78 1rq4 h PRO 100 N 8.63 0.00 -0.88 4.34 0.11 -1.96 1.00 132.00 143.23 1rq4 h PRO 100 Ca -0.36 0.00 0.26 0.00 0.11 0.00 0.00 66.00 66.00 1rq4 h PRO 100 Cb 1.16 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 1rq4 h PRO 100 CO 0.94 0.00 0.67 1.49 -0.21 0.00 0.00 178.00 180.89 1rq4 h GLU 101 N 0.00 0.00 0.00 1.05 4.57 -1.98 0.29 114.58 118.51 1rq4 h GLU 101 Ca 0.03 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1rq4 h GLU 101 Cb 0.20 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1rq4 h GLU 101 CO -0.00 0.00 -0.07 -0.91 -1.18 0.00 0.00 179.01 176.85 1rq4 h ASN 102 N 0.00 0.00 0.37 1.04 -0.26 -1.17 -2.79 115.58 112.77 1rq4 h ASN 102 Ca 0.42 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 56.04 1rq4 h ASN 102 Cb 1.75 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 39.00 1rq4 h ASN 102 CO -0.00 0.07 -0.50 -0.26 -1.06 0.00 0.00 177.43 175.67 1rq4 h PHE 103 N 0.00 0.19 -0.18 1.19 0.04 -0.61 -2.16 116.94 115.41 1rq4 h PHE 103 Ca -0.00 -0.06 -0.17 0.00 2.80 0.00 0.00 57.97 60.54 1rq4 h PHE 103 Cb 0.39 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.50 1rq4 h PHE 103 CO 0.00 0.63 -0.53 0.00 -0.60 0.00 0.00 178.31 177.80 1rq4 h ARG 104 N 0.12 0.68 -0.29 1.51 3.08 -1.57 -1.14 114.38 116.77 1rq4 h ARG 104 Ca 0.00 -0.49 0.01 0.00 0.07 0.00 0.00 59.98 59.57 1rq4 h ARG 104 Cb 0.93 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.05 1rq4 h ARG 104 CO 0.07 1.11 0.18 -0.07 -1.07 0.00 0.00 179.97 180.19 1rq4 h LEU 105 N 0.36 0.29 -0.93 3.04 3.38 -1.51 -1.15 115.31 118.80 1rq4 h LEU 105 Ca -0.02 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 1rq4 h LEU 105 Cb 1.15 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1rq4 h LEU 105 CO 0.11 0.21 -0.07 0.25 0.09 0.00 0.00 178.44 179.04 1rq4 h LEU 106 N 0.36 0.69 -0.26 1.67 5.85 -1.31 -1.41 115.31 120.90 1rq4 h LEU 106 Ca 0.11 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.68 1rq4 h LEU 106 Cb -0.01 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 1rq4 h LEU 106 CO -0.05 0.80 0.09 1.23 -0.34 0.00 0.00 178.44 180.17 1rq4 h GLY 107 N 0.96 0.32 1.09 3.75 0.00 -0.84 0.21 103.07 108.57 1rq4 h GLY 107 Ca 0.12 -0.05 -0.13 0.00 0.00 0.00 0.00 47.33 47.27 1rq4 h GLY 107 CO 0.03 0.03 -0.25 3.43 0.00 0.00 0.00 176.54 179.78 1rq4 h ASN 108 N 0.20 0.98 -0.52 0.19 2.35 -0.86 -2.09 115.58 115.84 1rq4 h ASN 108 Ca 0.12 -0.41 0.01 0.00 -0.55 0.00 0.00 56.30 55.46 1rq4 h ASN 108 Cb 0.09 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 1rq4 h ASN 108 CO -0.12 1.18 0.33 0.58 -1.65 0.00 0.00 177.43 177.75 1rq4 h VAL 109 N 0.79 1.11 -0.97 2.81 2.07 -1.13 -2.50 116.25 118.42 1rq4 h VAL 109 Ca 0.09 -0.23 0.14 0.00 0.82 0.00 0.00 66.70 67.53 1rq4 h VAL 109 Cb 0.83 0.37 -0.09 0.00 -1.52 0.00 0.00 31.29 30.88 1rq4 h VAL 109 CO 0.07 0.12 0.61 0.25 0.02 0.00 0.00 177.57 178.65 1rq4 h LEU 110 N 0.68 0.82 -0.49 2.57 5.85 -0.10 -1.71 115.31 122.92 1rq4 h LEU 110 Ca 0.20 0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.86 1rq4 h LEU 110 Cb -0.05 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1rq4 h LEU 110 CO -0.06 0.40 -0.11 0.58 -0.34 0.00 0.00 178.44 178.91 1rq4 h VAL 111 N 0.85 1.27 -0.22 1.05 2.07 -1.04 -2.45 116.25 117.78 1rq4 h VAL 111 Ca 0.50 -1.25 -0.08 0.00 0.82 0.00 0.00 66.70 66.69 1rq4 h VAL 111 Cb 0.65 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1rq4 h VAL 111 CO -0.27 0.43 -0.22 0.00 0.02 0.00 0.00 177.57 177.54 1rq4 h VAL 113 N 0.36 1.23 -0.76 0.00 2.07 -1.33 0.88 116.25 118.70 1rq4 h VAL 113 Ca 0.06 -0.69 0.05 0.00 0.82 0.00 0.00 66.70 66.95 1rq4 h VAL 113 Cb 0.59 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.90 1rq4 h VAL 113 CO 0.04 0.19 0.50 -0.07 0.02 0.00 0.00 177.57 178.24 1rq4 h LEU 114 N -0.18 0.74 -0.62 2.57 3.38 -1.34 0.79 115.31 120.65 1rq4 h LEU 114 Ca 0.01 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1rq4 h LEU 114 Cb 0.29 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1rq4 h LEU 114 CO 0.00 0.49 0.10 0.00 0.09 0.00 0.00 178.44 179.12 1rq4 h ALA 115 N 1.58 0.83 -0.62 1.53 0.00 -1.13 0.27 119.26 121.72 1rq4 h ALA 115 Ca 0.32 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1rq4 h ALA 115 Cb 0.18 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1rq4 h ALA 115 CO -0.10 0.59 0.14 1.25 0.00 0.00 0.00 179.25 181.13 1rq4 h HIS 116 N 0.95 1.03 0.06 0.00 -0.00 0.10 -1.68 115.15 115.60 1rq4 h HIS 116 Ca 0.19 -0.11 -0.09 0.00 -0.00 0.00 0.00 60.37 60.36 1rq4 h HIS 116 Cb 0.43 -0.29 0.01 0.00 -0.00 0.00 0.00 27.41 27.56 1rq4 h HIS 116 CO 0.03 0.85 -0.37 0.45 -0.00 0.00 0.00 177.93 178.89 1rq4 h HIS 117 N 0.94 0.26 -0.01 5.26 -0.00 -0.77 -3.38 115.15 117.46 1rq4 h HIS 117 Ca 0.20 -0.18 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 1rq4 h HIS 117 Cb 0.35 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.74 1rq4 h HIS 117 CO 0.02 1.12 -0.32 1.19 -0.00 0.00 0.00 177.93 179.94 1rq4 n PHE 118 N -4.39 0.00 0.00 2.45 3.72 0.07 -4.99 117.46 114.32 1rq4 n PHE 118 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 1rq4 n PHE 118 Cb 0.62 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 1rq4 n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rq4 n GLY 119 N 1.36 2.23 0.30 1.37 0.00 -0.63 -1.73 105.19 108.08 1rq4 n GLY 119 Ca 0.11 0.41 0.17 0.00 0.00 0.00 0.00 46.02 46.72 1rq4 n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rq4 h LYS 120 N 0.00 0.00 0.00 1.61 1.57 -1.94 -1.19 116.57 116.62 1rq4 h LYS 120 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rq4 h LYS 120 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1rq4 h LYS 120 CO 0.00 0.04 -0.03 1.49 -0.57 0.00 0.00 179.45 180.39 1rq4 h GLU 121 N 0.00 0.00 -3.65 3.15 4.81 -1.73 -3.33 114.58 113.82 1rq4 h GLU 121 Ca -0.00 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.48 1rq4 h GLU 121 Cb 0.20 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.43 1rq4 h GLU 121 CO 0.01 0.00 2.06 0.34 -0.73 0.00 0.00 179.01 180.69 1rq4 n PHE 122 N -2.84 3.15 -1.46 0.92 7.35 -0.45 -4.92 117.46 119.20 1rq4 n PHE 122 Ca 0.04 -2.85 -0.30 0.00 -0.76 0.00 0.00 57.45 53.59 1rq4 n PHE 122 Cb 0.50 -2.02 0.09 0.00 0.35 0.00 0.00 39.48 38.40 1rq4 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1rq4 s THR 123 N 0.72 3.22 0.19 -2.13 -4.23 -1.25 -4.70 115.64 107.46 1rq4 s THR 123 Ca 0.40 0.40 -0.12 0.00 -1.18 0.00 0.00 61.69 61.19 1rq4 s THR 123 Cb 0.09 -3.07 0.12 0.00 1.34 0.00 0.00 72.50 70.98 1rq4 s THR 123 CO -0.00 -0.52 1.72 -0.65 -0.54 0.00 0.00 174.62 174.63 1rq4 h PRO 124 N -1.10 0.27 -0.68 3.99 0.11 -1.94 0.29 132.00 132.94 1rq4 h PRO 124 Ca -0.46 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.64 1rq4 h PRO 124 Cb 1.25 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1rq4 h PRO 124 CO 0.57 0.18 0.45 -1.35 -0.21 0.00 0.00 178.00 177.64 1rq4 h PRO 125 N 0.28 0.88 -0.27 1.05 0.11 -1.99 0.46 132.00 132.51 1rq4 h PRO 125 Ca 0.27 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.24 1rq4 h PRO 125 Cb 0.35 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1rq4 h PRO 125 CO -0.32 0.58 -0.17 0.28 -0.21 0.00 0.00 178.00 178.16 1rq4 h VAL 126 N 0.91 1.30 0.08 3.15 2.07 -1.42 -2.47 116.25 119.87 1rq4 h VAL 126 Ca 0.25 -1.29 0.02 0.00 0.82 0.00 0.00 66.70 66.50 1rq4 h VAL 126 Cb -0.08 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1rq4 h VAL 126 CO -0.06 0.41 -0.20 -0.61 0.02 0.00 0.00 177.57 177.13 1rq4 h GLN 127 N 0.33 -0.35 -0.75 1.57 4.15 -0.14 -1.61 115.11 118.30 1rq4 h GLN 127 Ca 0.06 0.02 0.17 0.00 0.77 0.00 0.00 58.65 59.67 1rq4 h GLN 127 Cb 0.70 0.08 -0.13 0.00 0.21 0.00 0.00 27.48 28.35 1rq4 h GLN 127 CO 0.05 -0.24 0.05 0.00 -1.93 0.00 0.00 178.83 176.76 1rq4 h ALA 128 N 0.46 0.83 -0.58 3.38 0.00 -0.82 0.12 119.26 122.66 1rq4 h ALA 128 Ca 0.04 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1rq4 h ALA 128 Cb 0.40 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1rq4 h ALA 128 CO -0.13 -0.41 0.27 0.00 0.00 0.00 0.00 179.25 178.97 1rq4 h ALA 129 N 1.68 0.74 0.00 0.00 0.00 -0.98 -2.68 119.26 118.03 1rq4 h ALA 129 Ca 0.41 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 1rq4 h ALA 129 Cb 0.73 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1rq4 h ALA 129 CO -0.63 0.32 -0.20 1.88 0.00 0.00 0.00 179.25 180.62 1rq4 h TYR 130 N 0.78 0.00 -0.40 0.00 0.05 -0.16 -2.51 116.97 114.73 1rq4 h TYR 130 Ca 0.20 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.89 1rq4 h TYR 130 Cb 0.14 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.86 1rq4 h TYR 130 CO 0.00 0.20 -0.10 1.96 -1.05 0.00 0.00 178.16 179.17 1rq4 h GLN 131 N 0.00 0.71 -0.32 4.88 1.08 -0.50 -1.51 115.11 119.45 1rq4 h GLN 131 Ca -0.00 -0.22 -0.10 0.00 -1.45 0.00 0.00 58.65 56.87 1rq4 h GLN 131 Cb 0.65 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.01 1rq4 h GLN 131 CO 0.03 0.79 -0.20 0.87 -0.95 0.00 0.00 178.83 179.36 1rq4 h LYS 132 N 0.65 0.71 -0.12 1.46 1.57 -1.31 -2.49 116.57 117.04 1rq4 h LYS 132 Ca 0.11 -0.33 0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1rq4 h LYS 132 Cb 0.55 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 1rq4 h LYS 132 CO 0.03 0.94 -0.07 0.28 -0.57 0.00 0.00 179.45 180.06 1rq4 h VAL 133 N 0.47 0.79 -0.84 0.50 2.07 -1.31 -0.35 116.25 117.59 1rq4 h VAL 133 Ca 0.07 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 1rq4 h VAL 133 Cb 0.75 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 1rq4 h VAL 133 CO 0.06 0.00 0.44 0.58 0.02 0.00 0.00 177.57 178.67 1rq4 h VAL 134 N -0.06 1.25 -0.55 2.57 2.07 -1.27 0.15 116.25 120.41 1rq4 h VAL 134 Ca 0.07 -0.65 -0.09 0.00 0.82 0.00 0.00 66.70 66.86 1rq4 h VAL 134 Cb 0.16 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 1rq4 h VAL 134 CO -0.16 0.29 -0.00 0.00 0.02 0.00 0.00 177.57 177.71 1rq4 h ALA 135 N 1.24 0.95 -0.37 1.67 0.00 -1.32 0.54 119.26 121.97 1rq4 h ALA 135 Ca 0.29 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1rq4 h ALA 135 Cb 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1rq4 h ALA 135 CO -0.04 0.63 0.05 0.78 0.00 0.00 0.00 179.25 180.67 1rq4 h GLY 136 N 1.00 0.66 0.97 0.00 0.00 -0.32 0.69 103.07 106.07 1rq4 h GLY 136 Ca 0.16 -0.45 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 1rq4 h GLY 136 CO 0.03 0.41 0.12 -2.08 0.00 0.00 0.00 176.54 175.02 1rq4 h VAL 137 N 0.45 1.24 -0.77 4.60 2.07 -0.63 -0.25 116.25 122.96 1rq4 h VAL 137 Ca 0.11 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1rq4 h VAL 137 Cb 0.37 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1rq4 h VAL 137 CO 0.01 0.31 0.44 0.00 0.02 0.00 0.00 177.57 178.34 1rq4 h ALA 138 N 0.99 0.99 -0.43 1.67 0.00 -0.56 -0.45 119.26 121.47 1rq4 h ALA 138 Ca 0.15 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1rq4 h ALA 138 Cb 0.33 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1rq4 h ALA 138 CO 0.00 0.48 -0.15 -0.91 0.00 0.00 0.00 179.25 178.67 1rq4 h ASN 139 N 1.06 0.80 -0.34 0.00 -0.26 -0.59 -2.12 115.58 114.14 1rq4 h ASN 139 Ca 0.27 -0.26 -0.16 0.00 -0.56 0.00 0.00 56.30 55.59 1rq4 h ASN 139 Cb 0.00 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.04 1rq4 h ASN 139 CO -0.05 0.96 -0.41 0.00 -1.06 0.00 0.00 177.43 176.87 1rq4 h ALA 140 N 1.11 0.58 0.00 -0.83 0.00 -0.68 -2.27 119.26 117.18 1rq4 h ALA 140 Ca 0.11 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1rq4 h ALA 140 Cb 0.65 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1rq4 h ALA 140 CO 0.05 0.68 -0.04 -0.07 0.00 0.00 0.00 179.25 179.86 1rq4 h LEU 141 N 0.73 0.00 0.00 0.00 3.38 -0.90 -2.50 115.31 116.01 1rq4 h LEU 141 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1rq4 h LEU 141 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1rq4 h LEU 141 CO 0.10 0.04 -0.53 0.00 0.09 0.00 0.00 178.44 178.14 1rq4 n ALA 142 N -2.19 3.56 -0.20 1.53 0.00 -0.81 -4.48 120.51 117.92 1rq4 n ALA 142 Ca -0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 53.44 53.03 1rq4 n ALA 142 Cb 0.17 -1.11 0.07 0.00 0.00 0.00 0.00 19.45 18.58 1rq4 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1rq4 h HIS 143 N 0.00 0.60 -0.23 0.00 6.17 -0.97 -2.33 115.15 118.39 1rq4 h HIS 143 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.10 1rq4 h HIS 143 Cb 0.51 -0.18 0.00 0.00 2.52 0.00 0.00 27.41 30.26 1rq4 h HIS 143 CO 0.00 0.30 0.00 1.63 0.71 0.00 0.00 177.93 180.57 1rq4 n LYS 144 N -4.82 2.49 -2.55 5.26 4.76 -1.26 -4.87 118.16 117.17 1rq4 n LYS 144 Ca 0.06 -1.24 -0.41 0.00 -2.87 0.00 0.00 58.31 53.85 1rq4 n LYS 144 Cb 0.14 -1.76 -0.04 0.00 -1.84 0.00 0.00 35.03 31.54 1rq4 n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1rq4 s TYR 145 N -1.69 3.59 0.00 2.13 1.51 -0.88 -4.79 117.35 117.21 1rq4 s TYR 145 Ca 0.22 1.56 0.00 0.00 -1.01 0.00 0.00 57.07 57.83 1rq4 s TYR 145 Cb 0.16 -3.26 0.00 0.00 -0.11 0.00 0.00 41.96 38.75 1rq4 s TYR 145 CO 0.07 -0.60 0.00 -2.39 -1.11 0.00 0.00 175.55 171.52