#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 1.38 -3.97 3.52 -0.00 -1.26 -4.89 115.22 110.00 1rq4 n HIS 2 Ca 0.00 0.30 -0.19 0.00 -0.00 0.00 0.00 57.72 57.83 1rq4 n HIS 2 Cb 0.00 -2.51 -0.16 0.00 -0.00 0.00 0.00 29.99 27.32 1rq4 n HIS 2 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1rq4 s LEU 3 N 8.29 1.11 0.94 0.27 2.96 -1.26 -5.07 118.68 125.92 1rq4 s LEU 3 Ca 1.13 -0.06 -0.12 0.00 -0.22 0.00 0.00 54.13 54.86 1rq4 s LEU 3 Cb -0.85 -0.30 0.15 0.00 0.50 0.00 0.00 46.19 45.69 1rq4 s LEU 3 CO 0.46 -0.10 1.09 0.42 -1.32 0.00 0.00 176.35 176.90 1rq4 s THR 4 N 1.13 2.45 0.15 3.68 -4.23 -1.26 -4.76 115.64 112.80 1rq4 s THR 4 Ca -0.08 0.14 0.21 0.00 -1.18 0.00 0.00 61.69 60.79 1rq4 s THR 4 Cb -0.14 -2.62 0.18 0.00 1.34 0.00 0.00 72.50 71.27 1rq4 s THR 4 CO -0.02 -0.19 1.78 1.55 -0.54 0.00 0.00 174.62 177.21 1rq4 h PRO 5 N -1.69 0.00 0.16 3.99 0.13 -2.01 0.27 132.00 132.85 1rq4 h PRO 5 Ca -0.51 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 1rq4 h PRO 5 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1rq4 h PRO 5 CO 0.55 0.30 -0.08 0.93 -0.23 0.00 0.00 178.00 179.47 1rq4 h GLU 6 N 0.00 -0.21 -0.08 0.86 4.39 -1.99 0.16 114.58 117.71 1rq4 h GLU 6 Ca -0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1rq4 h GLU 6 Cb 0.82 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.51 1rq4 h GLU 6 CO 0.04 0.02 0.04 0.93 -1.16 0.00 0.00 179.01 178.88 1rq4 h GLU 7 N -0.42 0.08 -0.63 2.33 5.08 -1.83 -2.48 114.58 116.72 1rq4 h GLU 7 Ca -0.02 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1rq4 h GLU 7 Cb 0.33 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1rq4 h GLU 7 CO 0.04 0.06 0.35 -0.22 -1.00 0.00 0.00 179.01 178.23 1rq4 h LYS 8 N 0.09 0.88 -0.06 2.33 3.64 -0.38 -0.31 116.57 122.77 1rq4 h LYS 8 Ca 0.03 -0.10 -0.19 0.00 -1.27 0.00 0.00 60.65 59.12 1rq4 h LYS 8 Cb 0.00 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1rq4 h LYS 8 CO -0.02 0.67 -0.76 0.66 -2.27 0.00 0.00 179.45 177.72 1rq4 h SER 9 N 0.86 0.43 -0.26 4.20 4.64 -0.63 -1.31 113.55 121.48 1rq4 h SER 9 Ca 0.22 -0.30 -0.04 0.00 -0.47 0.00 0.00 61.79 61.20 1rq4 h SER 9 Cb 0.04 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 1rq4 h SER 9 CO -0.04 1.04 -0.01 0.00 -0.87 0.00 0.00 176.83 176.96 1rq4 h ALA 10 N 0.95 0.35 0.07 5.18 0.00 -1.27 0.96 119.26 125.50 1rq4 h ALA 10 Ca -0.04 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.66 1rq4 h ALA 10 Cb 1.34 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1rq4 h ALA 10 CO 0.13 0.09 -0.16 0.28 0.00 0.00 0.00 179.25 179.58 1rq4 h VAL 11 N 0.24 0.61 -0.71 0.00 2.07 -0.97 -2.02 116.25 115.47 1rq4 h VAL 11 Ca 0.07 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 1rq4 h VAL 11 Cb 0.43 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1rq4 h VAL 11 CO 0.01 0.00 0.34 0.74 0.02 0.00 0.00 177.57 178.68 1rq4 h THR 12 N -0.31 1.24 -0.06 2.57 2.02 -1.13 -2.44 112.91 114.80 1rq4 h THR 12 Ca 0.03 -0.67 0.01 0.00 0.77 0.00 0.00 66.41 66.55 1rq4 h THR 12 Cb 0.34 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1rq4 h THR 12 CO -0.11 0.28 -0.06 0.00 0.37 0.00 0.00 175.52 176.00 1rq4 h ALA 13 N 1.16 -0.28 -0.70 6.16 0.00 0.15 -2.49 119.26 123.26 1rq4 h ALA 13 Ca 0.24 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.24 1rq4 h ALA 13 Cb 0.13 0.83 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1rq4 h ALA 13 CO -0.03 -0.31 0.46 1.25 0.00 0.00 0.00 179.25 180.62 1rq4 h LEU 14 N -0.03 0.56 -1.91 0.00 5.85 -1.30 -2.34 115.31 116.13 1rq4 h LEU 14 Ca 0.01 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1rq4 h LEU 14 Cb 0.06 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 1rq4 h LEU 14 CO -0.08 0.34 -0.05 -0.25 -0.34 0.00 0.00 178.44 178.06 1rq4 h TRP 15 N 0.62 0.00 -0.68 1.25 2.91 -0.97 -1.42 115.95 117.66 1rq4 h TRP 15 Ca 0.32 0.00 0.17 0.00 1.13 0.00 0.00 58.89 60.50 1rq4 h TRP 15 Cb 0.41 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.03 1rq4 h TRP 15 CO -0.00 0.05 0.47 0.78 -1.03 0.00 0.00 178.44 178.71 1rq4 h GLY 16 N 0.16 0.33 0.03 2.65 0.00 -1.29 -1.18 103.07 103.78 1rq4 h GLY 16 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1rq4 h GLY 16 CO 0.01 0.02 -0.03 0.28 0.00 0.00 0.00 176.54 176.82 1rq4 n LYS 17 N -4.41 1.36 -2.80 4.80 5.02 -0.53 -4.91 118.16 116.68 1rq4 n LYS 17 Ca 0.13 -0.65 -0.42 0.00 -2.02 0.00 0.00 58.31 55.35 1rq4 n LYS 17 Cb 0.62 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.11 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 -2.09 4.88 -1.00 -0.18 1.01 -0.45 -4.98 120.40 117.61 1rq4 s VAL 18 Ca 0.38 1.86 -0.19 0.00 0.00 0.00 0.00 61.98 64.03 1rq4 s VAL 18 Cb 0.21 -4.23 0.11 0.00 0.00 0.00 0.00 36.38 32.47 1rq4 s VAL 18 CO 0.37 0.11 1.27 0.21 0.00 0.00 0.00 175.10 177.06 1rq4 s ASN 19 N 1.02 6.64 0.46 3.32 2.47 -1.26 -4.88 114.94 122.72 1rq4 s ASN 19 Ca 0.46 -1.99 0.19 0.00 0.42 0.00 0.00 52.86 51.94 1rq4 s ASN 19 Cb -0.19 -2.45 1.17 0.00 -1.45 0.00 0.00 41.25 38.33 1rq4 s ASN 19 CO 0.21 -1.16 1.94 -0.37 -3.72 0.00 0.00 177.10 174.00 1rq4 h VAL 20 N 5.97 0.77 -0.04 -5.21 -1.51 -1.95 0.96 116.25 115.24 1rq4 h VAL 20 Ca 0.20 -0.09 0.01 0.00 -1.23 0.00 0.00 66.70 65.59 1rq4 h VAL 20 Cb 1.00 0.48 -0.00 0.00 -2.13 0.00 0.00 31.29 30.63 1rq4 h VAL 20 CO 1.22 0.05 0.12 0.44 -1.23 0.00 0.00 177.57 178.17 1rq4 h ASP 21 N 0.27 0.00 0.00 4.19 5.19 -1.94 -2.98 116.42 121.15 1rq4 h ASP 21 Ca 0.33 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.58 1rq4 h ASP 21 Cb 0.92 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.40 1rq4 h ASP 21 CO -0.08 0.00 -1.35 1.21 -3.12 0.00 0.00 179.24 175.90 1rq4 n GLU 22 N -3.31 0.32 -0.29 3.56 2.13 0.28 -4.60 120.64 118.74 1rq4 n GLU 22 Ca -0.02 0.14 0.13 0.00 0.66 0.00 0.00 57.16 58.07 1rq4 n GLU 22 Cb 0.19 -1.04 0.39 0.00 0.27 0.00 0.00 31.44 31.25 1rq4 n GLU 22 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1rq4 h VAL 23 N -0.56 0.78 -0.05 6.31 2.07 -1.52 -1.74 116.25 121.53 1rq4 h VAL 23 Ca -0.24 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1rq4 h VAL 23 Cb 1.04 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1rq4 h VAL 23 CO -0.15 0.12 0.03 1.23 0.02 0.00 0.00 177.57 178.83 1rq4 h GLY 24 N 0.66 0.08 1.40 2.17 0.00 -1.73 -0.27 103.07 105.38 1rq4 h GLY 24 Ca 0.48 -0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.71 1rq4 h GLY 24 CO -0.24 0.03 0.01 -1.33 0.00 0.00 0.00 176.54 175.02 1rq4 h GLY 25 N 0.02 0.80 1.08 4.60 0.00 -1.64 -1.00 103.07 106.93 1rq4 h GLY 25 Ca 0.02 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 46.78 1rq4 h GLY 25 CO -0.00 0.48 0.27 0.83 0.00 0.00 0.00 176.54 178.12 1rq4 h GLU 26 N 0.70 1.16 -0.01 4.80 4.39 -1.04 -0.43 114.58 124.15 1rq4 h GLU 26 Ca 0.14 -0.23 -0.04 0.00 0.34 0.00 0.00 59.36 59.58 1rq4 h GLU 26 Cb 0.41 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1rq4 h GLU 26 CO 0.02 0.96 -0.14 0.00 -1.16 0.00 0.00 179.01 178.69 1rq4 h ALA 27 N 1.17 0.02 -0.51 3.43 0.00 -0.86 -1.33 119.26 121.19 1rq4 h ALA 27 Ca 0.25 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1rq4 h ALA 27 Cb 0.26 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1rq4 h ALA 27 CO -0.01 -0.01 0.20 1.25 0.00 0.00 0.00 179.25 180.68 1rq4 h LEU 28 N -0.60 0.71 -0.26 0.00 5.85 -1.22 -2.17 115.31 117.62 1rq4 h LEU 28 Ca -0.02 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.57 1rq4 h LEU 28 Cb 0.89 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 1rq4 h LEU 28 CO 0.03 0.69 0.04 1.23 -0.34 0.00 0.00 178.44 180.09 1rq4 h GLY 29 N 0.68 0.29 2.00 3.75 0.00 -1.10 -2.45 103.07 106.24 1rq4 h GLY 29 Ca 0.17 -0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.43 1rq4 h GLY 29 CO -0.01 -0.02 -0.27 3.21 0.00 0.00 0.00 176.54 179.45 1rq4 h ARG 30 N 0.14 0.00 -0.84 4.80 3.08 -1.11 -1.95 114.38 118.50 1rq4 h ARG 30 Ca 0.12 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 1rq4 h ARG 30 Cb 0.13 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 1rq4 h ARG 30 CO -0.17 0.27 0.50 1.25 -1.07 0.00 0.00 179.97 180.75 1rq4 h LEU 31 N 0.00 1.02 -0.42 3.04 5.85 -0.92 -0.06 115.31 123.82 1rq4 h LEU 31 Ca -0.00 -0.07 -0.17 0.00 0.84 0.00 0.00 57.88 58.48 1rq4 h LEU 31 Cb 0.48 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1rq4 h LEU 31 CO 0.03 0.79 -0.79 -0.07 -0.34 0.00 0.00 178.44 178.06 1rq4 h LEU 32 N 1.16 0.02 0.09 2.25 3.38 -1.12 -2.35 115.31 118.73 1rq4 h LEU 32 Ca 0.30 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 58.12 1rq4 h LEU 32 Cb -0.03 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.72 1rq4 h LEU 32 CO -0.06 0.80 -0.63 0.58 0.09 0.00 0.00 178.44 179.23 1rq4 h VAL 33 N 0.01 1.53 -0.10 1.22 2.07 -1.31 -3.25 116.25 116.42 1rq4 h VAL 33 Ca -0.01 -2.45 -0.18 0.00 0.82 0.00 0.00 66.70 64.88 1rq4 h VAL 33 Cb 1.40 3.17 -0.00 0.00 -1.52 0.00 0.00 31.29 34.34 1rq4 h VAL 33 CO 0.10 0.66 -0.71 0.58 0.02 0.00 0.00 177.57 178.23 1rq4 h VAL 34 N -0.60 1.36 -2.20 2.57 2.07 -1.08 -3.34 116.25 115.02 1rq4 h VAL 34 Ca -0.12 -2.07 -0.59 0.00 0.82 0.00 0.00 66.70 64.74 1rq4 h VAL 34 Cb 1.43 2.05 -0.42 0.00 -1.52 0.00 0.00 31.29 32.83 1rq4 h VAL 34 CO 0.08 0.63 -0.69 -1.22 0.02 0.00 0.00 177.57 176.39 1rq4 n TYR 35 N -3.86 3.30 0.18 1.57 4.01 -0.89 -4.97 117.16 116.50 1rq4 n TYR 35 Ca -0.04 -4.03 0.13 0.00 -0.16 0.00 0.00 57.90 53.79 1rq4 n TYR 35 Cb 0.69 -0.51 0.38 0.00 -0.31 0.00 0.00 39.34 39.60 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 3.62 0.00 0.00 -0.72 0.11 -1.69 -0.56 132.00 132.76 1rq4 h PRO 36 Ca 0.16 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.22 1rq4 h PRO 36 Cb 0.63 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 1rq4 h PRO 36 CO 0.78 0.00 -0.22 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 -1.91 -2.52 115.95 112.26 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 1.79 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.03 1rq4 h TRP 37 CO 0.00 0.22 0.00 0.25 0.09 0.00 0.00 178.44 179.00 1rq4 n THR 38 N -3.51 0.91 0.32 0.12 -2.24 -0.22 -2.52 114.28 107.14 1rq4 n THR 38 Ca -0.01 0.23 0.12 0.00 -2.27 0.00 0.00 64.05 62.12 1rq4 n THR 38 Cb 0.38 -1.06 0.55 0.00 -2.10 0.00 0.00 70.33 68.10 1rq4 n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1rq4 h GLN 39 N 0.00 0.00 0.00 -0.78 4.20 -1.68 -3.14 115.11 113.72 1rq4 h GLN 39 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1rq4 h GLN 39 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1rq4 h GLN 39 CO 0.00 0.00 0.13 0.07 -0.67 0.00 0.00 178.83 178.36 1rq4 h ARG 40 N 0.00 0.00 0.00 1.46 0.11 -1.74 -1.31 114.38 112.90 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 0.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.34 1rq4 h ARG 40 CO 0.00 0.00 -0.90 1.19 0.10 0.00 0.00 179.97 180.36 1rq4 n PHE 41 N -2.71 0.04 -1.81 4.08 3.72 -1.19 -4.53 117.46 115.06 1rq4 n PHE 41 Ca -0.02 0.01 0.06 0.00 -0.05 0.00 0.00 57.45 57.45 1rq4 n PHE 41 Cb 0.18 -0.16 0.16 0.00 -0.94 0.00 0.00 39.48 38.72 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 -1.60 0.00 -0.34 1.38 3.72 -0.50 -4.83 117.46 115.29 1rq4 n PHE 42 Ca 0.04 -1.21 0.06 0.00 -0.05 0.00 0.00 57.45 56.28 1rq4 n PHE 42 Cb 0.36 -0.22 0.23 0.00 -0.94 0.00 0.00 39.48 38.91 1rq4 n PHE 42 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 1rq4 h GLU 43 N 0.95 1.00 0.00 -1.08 4.11 -1.79 0.18 114.58 117.96 1rq4 h GLU 43 Ca -0.06 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.31 1rq4 h GLU 43 Cb 1.23 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1rq4 h GLU 43 CO 0.03 0.66 0.00 -1.13 0.07 0.00 0.00 179.01 178.64 1rq4 n SER 44 N -4.55 0.00 -0.44 3.06 3.41 -1.26 -1.74 113.62 112.09 1rq4 n SER 44 Ca 0.17 -0.11 0.10 0.00 -0.26 0.00 0.00 58.87 58.77 1rq4 n SER 44 Cb 0.28 -0.06 0.39 0.00 -0.26 0.00 0.00 64.21 64.56 1rq4 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1rq4 n PHE 45 N -1.06 0.18 -3.31 7.33 3.01 0.05 -5.02 117.46 118.64 1rq4 n PHE 45 Ca 0.04 -0.09 0.00 0.00 1.01 0.00 0.00 57.45 58.41 1rq4 n PHE 45 Cb 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.50 1rq4 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1rq4 n GLY 46 N 1.05 0.31 3.68 1.37 0.00 -0.71 -4.82 105.19 106.08 1rq4 n GLY 46 Ca 0.15 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 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 6.90 -0.05 1.61 2.15 -1.26 -4.88 116.67 117.14 1rq4 s ASP 47 Ca 0.00 1.97 0.19 0.00 0.43 0.00 0.00 52.55 55.14 1rq4 s ASP 47 Cb 0.00 -2.55 0.36 0.00 -0.30 0.00 0.00 42.92 40.42 1rq4 s ASP 47 CO 0.00 -0.72 1.15 0.18 -0.17 0.00 0.00 175.17 175.61 1rq4 n LEU 48 N 5.76 1.23 0.13 -1.34 4.77 -1.26 -4.37 117.00 121.93 1rq4 n LEU 48 Ca 0.13 -2.26 0.01 0.00 -0.03 0.00 0.00 56.01 53.87 1rq4 n LEU 48 Cb 0.44 -0.12 0.07 0.00 -2.33 0.00 0.00 43.42 41.48 1rq4 n LEU 48 CO 0.58 0.64 0.45 0.77 -1.33 0.00 0.00 177.39 178.50 1rq4 h SER 49 N 0.80 0.00 -3.73 -1.43 4.64 -1.90 -3.43 113.55 108.49 1rq4 h SER 49 Ca -0.14 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.81 1rq4 h SER 49 Cb 1.61 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.56 1rq4 h SER 49 CO 0.06 0.57 -0.72 0.42 -0.87 0.00 0.00 176.83 176.29 1rq4 s THR 50 N -3.06 1.35 0.30 2.95 -4.23 -1.26 -5.03 115.64 106.66 1rq4 s THR 50 Ca 0.03 -2.10 0.06 0.00 -1.18 0.00 0.00 61.69 58.50 1rq4 s THR 50 Cb 0.09 -1.90 0.29 0.00 1.34 0.00 0.00 72.50 72.32 1rq4 s THR 50 CO 0.75 -0.69 1.74 -0.65 -0.54 0.00 0.00 174.62 175.23 1rq4 h PRO 51 N 2.74 0.59 -0.28 3.99 0.11 -1.99 -2.18 132.00 134.98 1rq4 h PRO 51 Ca -0.37 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.55 1rq4 h PRO 51 Cb 1.20 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1rq4 h PRO 51 CO 0.63 0.39 -0.44 -0.44 -0.21 0.00 0.00 178.00 177.92 1rq4 h ASP 52 N 0.61 0.76 -0.59 -2.05 3.32 -1.98 -0.78 116.42 115.70 1rq4 h ASP 52 Ca 0.58 -0.36 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 1rq4 h ASP 52 Cb 1.01 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.32 1rq4 h ASP 52 CO -0.44 1.09 0.29 0.00 -1.72 0.00 0.00 179.24 178.46 1rq4 h ALA 53 N 0.94 1.34 0.22 3.45 0.00 -1.75 -1.18 119.26 122.29 1rq4 h ALA 53 Ca 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1rq4 h ALA 53 Cb 0.99 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1rq4 h ALA 53 CO 0.09 0.51 -0.11 0.28 0.00 0.00 0.00 179.25 180.03 1rq4 h VAL 54 N 0.88 0.44 -0.70 0.00 2.07 -1.23 -2.82 116.25 114.89 1rq4 h VAL 54 Ca 0.22 -0.96 0.06 0.00 0.82 0.00 0.00 66.70 66.84 1rq4 h VAL 54 Cb 0.11 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 1rq4 h VAL 54 CO -0.03 0.12 0.46 0.24 0.02 0.00 0.00 177.57 178.38 1rq4 h MET 55 N -1.00 0.71 -0.01 1.57 2.07 -1.09 -1.90 114.93 115.28 1rq4 h MET 55 Ca -0.03 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.56 1rq4 h MET 55 Cb 0.43 -0.16 0.00 0.00 -1.87 0.00 0.00 31.60 29.99 1rq4 h MET 55 CO 0.05 0.47 -0.31 0.41 1.07 0.00 0.00 176.91 178.60 1rq4 n GLY 56 N -1.45 -0.44 3.63 8.32 0.00 -0.45 -4.79 105.19 110.00 1rq4 n GLY 56 Ca 0.10 -0.46 -0.44 0.00 0.00 0.00 0.00 46.02 45.22 1rq4 n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rq4 n ASN 57 N -0.48 3.60 0.09 1.61 2.85 -0.72 -4.88 115.26 117.33 1rq4 n ASN 57 Ca 0.12 0.60 0.08 0.00 -0.11 0.00 0.00 54.58 55.27 1rq4 n ASN 57 Cb 0.38 -1.50 0.55 0.00 1.24 0.00 0.00 39.78 40.44 1rq4 n ASN 57 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1rq4 h PRO 58 N 12.32 0.26 -0.04 1.20 0.11 -1.90 -0.49 132.00 143.45 1rq4 h PRO 58 Ca -0.45 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.48 1rq4 h PRO 58 Cb 1.25 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1rq4 h PRO 58 CO 0.95 0.17 -0.72 0.87 -0.21 0.00 0.00 178.00 179.07 1rq4 h LYS 59 N 0.26 0.21 -0.38 1.05 1.57 -1.89 -0.98 116.57 116.41 1rq4 h LYS 59 Ca 0.12 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 1rq4 h LYS 59 Cb 0.16 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1rq4 h LYS 59 CO -0.02 0.84 0.02 0.28 -0.57 0.00 0.00 179.45 179.99 1rq4 h VAL 60 N 0.14 1.25 -0.63 0.50 2.07 -1.45 -0.80 116.25 117.34 1rq4 h VAL 60 Ca -0.02 -0.96 -0.06 0.00 0.82 0.00 0.00 66.70 66.49 1rq4 h VAL 60 Cb 1.27 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 1rq4 h VAL 60 CO 0.11 0.32 0.17 0.11 0.02 0.00 0.00 177.57 178.30 1rq4 h LYS 61 N 0.49 1.00 -0.26 1.57 1.57 -1.19 -1.52 116.57 118.23 1rq4 h LYS 61 Ca 0.11 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1rq4 h LYS 61 Cb 0.44 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1rq4 h LYS 61 CO 0.02 0.89 0.03 0.00 -0.57 0.00 0.00 179.45 179.82 1rq4 h ALA 62 N 1.06 0.35 -0.44 3.86 0.00 -1.08 -2.83 119.26 120.18 1rq4 h ALA 62 Ca 0.20 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1rq4 h ALA 62 Cb 0.33 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1rq4 h ALA 62 CO -0.00 0.04 0.10 1.25 0.00 0.00 0.00 179.25 180.64 1rq4 h HIS 63 N 0.24 0.67 -0.18 0.00 -0.00 -1.00 -2.37 115.15 112.51 1rq4 h HIS 63 Ca 0.08 -0.05 -0.07 0.00 -0.00 0.00 0.00 60.37 60.32 1rq4 h HIS 63 Cb 0.35 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.55 1rq4 h HIS 63 CO 0.02 0.58 -0.22 0.78 -0.00 0.00 0.00 177.93 179.09 1rq4 h GLY 64 N 0.86 0.34 0.74 5.26 0.00 -1.19 -1.94 103.07 107.14 1rq4 h GLY 64 Ca 0.15 -0.25 0.04 0.00 0.00 0.00 0.00 47.33 47.27 1rq4 h GLY 64 CO -0.00 0.23 0.29 1.70 0.00 0.00 0.00 176.54 178.76 1rq4 h LYS 65 N 0.28 0.54 -0.45 4.80 3.64 -1.18 -1.83 116.57 122.38 1rq4 h LYS 65 Ca 0.05 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 1rq4 h LYS 65 Cb 0.55 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1rq4 h LYS 65 CO 0.04 0.36 0.08 0.87 -2.27 0.00 0.00 179.45 178.52 1rq4 h LYS 66 N 0.56 0.74 -0.59 1.90 1.57 -1.24 -1.13 116.57 118.37 1rq4 h LYS 66 Ca 0.24 -0.20 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1rq4 h LYS 66 Cb 0.13 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 1rq4 h LYS 66 CO -0.15 0.76 0.34 0.28 -0.57 0.00 0.00 179.45 180.10 1rq4 h VAL 67 N 0.60 1.01 0.00 0.50 2.07 -1.26 -2.46 116.25 116.72 1rq4 h VAL 67 Ca 0.14 -0.22 -0.17 0.00 0.82 0.00 0.00 66.70 67.26 1rq4 h VAL 67 Cb 0.38 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1rq4 h VAL 67 CO 0.01 0.12 -0.83 -0.07 0.02 0.00 0.00 177.57 176.82 1rq4 h LEU 68 N 0.65 0.00 0.02 2.57 -0.00 -1.12 -2.12 115.31 115.31 1rq4 h LEU 68 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.13 1rq4 h LEU 68 Cb 0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.75 1rq4 h LEU 68 CO -0.14 0.83 -0.02 1.23 -0.00 0.00 0.00 178.44 180.35 1rq4 h GLY 69 N 2.95 -0.04 1.88 0.83 0.00 -1.04 0.95 103.07 108.60 1rq4 h GLY 69 Ca -0.01 0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 1rq4 h GLY 69 CO 0.11 -0.02 -0.12 0.00 0.00 0.00 0.00 176.54 176.51 1rq4 h ALA 70 N 0.94 1.62 -0.42 3.60 0.00 -1.33 -2.52 119.26 121.15 1rq4 h ALA 70 Ca 0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 1rq4 h ALA 70 Cb 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1rq4 h ALA 70 CO -0.00 0.28 -0.25 0.35 0.00 0.00 0.00 179.25 179.63 1rq4 h PHE 71 N 0.15 1.05 -0.89 0.00 3.04 -0.72 -2.64 116.94 116.92 1rq4 h PHE 71 Ca 0.03 -0.27 0.05 0.00 3.98 0.00 0.00 57.97 61.75 1rq4 h PHE 71 Cb 0.31 -0.24 -0.05 0.00 2.56 0.00 0.00 35.95 38.53 1rq4 h PHE 71 CO 0.00 1.07 0.58 0.77 -2.02 0.00 0.00 178.31 178.72 1rq4 h SER 72 N 0.73 0.93 0.64 0.41 0.02 -0.46 -1.14 113.55 114.68 1rq4 h SER 72 Ca 0.09 -0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.95 1rq4 h SER 72 Cb 0.82 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1rq4 h SER 72 CO 0.07 0.62 -0.38 0.44 -1.14 0.00 0.00 176.83 176.45 1rq4 h ASP 73 N 1.07 0.00 0.07 3.07 5.19 -1.26 -1.82 116.42 122.74 1rq4 h ASP 73 Ca 0.37 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.64 1rq4 h ASP 73 Cb 0.10 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.60 1rq4 h ASP 73 CO -0.12 0.38 -0.48 1.23 -3.12 0.00 0.00 179.24 177.13 1rq4 h GLY 74 N 1.66 0.52 2.00 2.75 0.00 -0.88 -2.57 103.07 106.56 1rq4 h GLY 74 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 46.77 1rq4 h GLY 74 CO 0.05 0.50 0.00 1.04 0.00 0.00 0.00 176.54 178.13 1rq4 n LEU 75 N -3.99 0.65 0.02 3.11 4.77 -0.71 -1.32 117.00 119.54 1rq4 n LEU 75 Ca -0.02 0.67 0.12 0.00 -0.03 0.00 0.00 56.01 56.75 1rq4 n LEU 75 Cb 0.55 -0.59 0.30 0.00 -2.33 0.00 0.00 43.42 41.35 1rq4 n LEU 75 CO 0.45 -0.58 0.53 0.00 -1.33 0.00 0.00 177.39 176.46 1rq4 n ALA 76 N -1.77 3.07 -2.88 -1.18 0.00 -0.98 -4.30 120.51 112.48 1rq4 n ALA 76 Ca 0.02 -0.26 -0.14 0.00 0.00 0.00 0.00 53.44 53.06 1rq4 n ALA 76 Cb 0.21 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.73 1.01 0.30 0.00 8.25 -0.44 -4.94 115.22 117.68 1rq4 n HIS 77 Ca 0.05 -3.28 0.19 0.00 -0.26 0.00 0.00 57.72 54.42 1rq4 n HIS 77 Cb 0.37 -0.38 0.94 0.00 1.12 0.00 0.00 29.99 32.04 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 2.98 0.00 -1.29 2.41 3.38 -1.69 -0.83 115.31 120.26 1rq4 h LEU 78 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1rq4 h LEU 78 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1rq4 h LEU 78 CO 0.53 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.53 1rq4 n ASP 79 N -2.90 1.97 -2.92 -0.43 8.00 -1.26 -3.66 116.55 115.34 1rq4 n ASP 79 Ca -0.01 -1.70 -0.13 0.00 0.71 0.00 0.00 54.79 53.65 1rq4 n ASP 79 Cb 0.14 -0.07 0.04 0.00 -0.02 0.00 0.00 41.12 41.20 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 0.53 -0.71 -0.12 -2.24 5.15 -0.32 -4.83 115.26 112.72 1rq4 n ASN 80 Ca 0.17 -3.27 -0.11 0.00 -0.60 0.00 0.00 54.58 50.77 1rq4 n ASN 80 Cb 0.40 0.62 -0.02 0.00 -0.53 0.00 0.00 39.78 40.25 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 2.94 0.73 -0.09 1.20 3.38 -1.74 -1.25 115.31 120.47 1rq4 h LEU 81 Ca -0.02 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.59 1rq4 h LEU 81 Cb 1.06 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 1rq4 h LEU 81 CO 0.30 0.94 -0.06 0.11 0.09 0.00 0.00 178.44 179.82 1rq4 h LYS 82 N 0.51 -0.06 -0.36 1.13 1.57 -1.91 -0.83 116.57 116.62 1rq4 h LYS 82 Ca 0.09 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1rq4 h LYS 82 Cb 0.63 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1rq4 h LYS 82 CO 0.04 -0.04 0.07 0.78 -0.57 0.00 0.00 179.45 179.73 1rq4 h GLY 83 N -0.06 0.63 0.61 3.86 0.00 -1.95 -1.71 103.07 104.45 1rq4 h GLY 83 Ca 0.06 -0.41 0.14 0.00 0.00 0.00 0.00 47.33 47.11 1rq4 h GLY 83 CO -0.13 0.38 0.55 -0.84 0.00 0.00 0.00 176.54 176.50 1rq4 h THR 84 N 0.43 0.84 -0.25 4.70 2.02 -0.88 -2.95 112.91 116.81 1rq4 h THR 84 Ca 0.11 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1rq4 h THR 84 Cb 0.34 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1rq4 h THR 84 CO 0.01 0.12 0.00 0.49 0.37 0.00 0.00 175.52 176.50 1rq4 n PHE 85 N -4.53 0.32 -0.12 3.16 3.72 -0.35 -4.72 117.46 114.93 1rq4 n PHE 85 Ca 0.16 -0.20 -0.04 0.00 -0.05 0.00 0.00 57.45 57.31 1rq4 n PHE 85 Cb 0.46 -0.00 0.04 0.00 -0.94 0.00 0.00 39.48 39.03 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 3.61 0.44 -0.09 4.37 0.00 -1.13 0.15 119.26 126.62 1rq4 h ALA 86 Ca 0.00 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1rq4 h ALA 86 Cb 0.83 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1rq4 h ALA 86 CO 0.00 -0.33 -0.44 1.79 0.00 0.00 0.00 179.25 180.27 1rq4 h THR 87 N 0.20 1.32 -0.24 0.00 1.35 -1.84 -1.62 112.91 112.09 1rq4 h THR 87 Ca 0.20 -1.58 -0.12 0.00 -0.55 0.00 0.00 66.41 64.36 1rq4 h THR 87 Cb 0.25 1.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.40 1rq4 h THR 87 CO -0.27 0.47 -0.35 -0.07 -0.25 0.00 0.00 175.52 175.05 1rq4 h LEU 88 N 0.17 0.53 -0.16 3.87 4.07 -1.77 -2.18 115.31 119.84 1rq4 h LEU 88 Ca 0.01 -0.21 -0.01 0.00 0.08 0.00 0.00 57.88 57.74 1rq4 h LEU 88 Cb 0.85 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.43 1rq4 h LEU 88 CO 0.07 0.84 0.05 -1.28 -1.08 0.00 0.00 178.44 177.03 1rq4 h SER 89 N 0.43 0.24 -0.84 -0.43 0.87 -0.35 -1.55 113.55 111.92 1rq4 h SER 89 Ca 0.05 -0.21 0.03 0.00 -1.23 0.00 0.00 61.79 60.43 1rq4 h SER 89 Cb 0.81 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.67 1rq4 h SER 89 CO 0.07 0.39 0.55 -0.33 -0.53 0.00 0.00 176.83 176.98 1rq4 h GLU 90 N 0.08 1.04 0.19 2.24 5.08 -1.16 -2.91 114.58 119.13 1rq4 h GLU 90 Ca 0.05 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1rq4 h GLU 90 Cb 0.23 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1rq4 h GLU 90 CO -0.00 0.69 -0.09 1.25 -1.00 0.00 0.00 179.01 179.85 1rq4 h LEU 91 N 1.07 -0.21 -0.83 1.33 5.85 -1.22 -0.71 115.31 120.59 1rq4 h LEU 91 Ca 0.33 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1rq4 h LEU 91 Cb -0.01 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1rq4 h LEU 91 CO -0.09 0.14 0.00 1.41 -0.34 0.00 0.00 178.44 179.56 1rq4 n HIS 92 N -5.05 0.00 0.00 1.25 8.25 -0.60 -1.35 115.22 117.72 1rq4 n HIS 92 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1rq4 n HIS 92 Cb 0.23 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.34 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 0.31 0.00 -0.11 0.41 8.00 -0.27 -1.43 116.55 123.46 1rq4 n ASP 94 Ca 0.00 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.25 1rq4 n ASP 94 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 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 -0.53 0.60 0.08 -1.24 4.01 -0.46 -4.69 118.16 115.94 1rq4 n LYS 95 Ca 0.00 0.37 0.11 0.00 -0.51 0.00 0.00 58.31 58.28 1rq4 n LYS 95 Cb 0.00 -1.61 -0.03 0.00 -0.51 0.00 0.00 35.03 32.88 1rq4 n LYS 95 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1rq4 n LEU 96 N -4.14 0.68 -3.53 -0.35 4.77 -0.81 -5.01 117.00 108.60 1rq4 n LEU 96 Ca -0.43 0.26 -0.20 0.00 -0.03 0.00 0.00 56.01 55.60 1rq4 n LEU 96 Cb 0.84 -0.05 0.08 0.00 -2.33 0.00 0.00 43.42 41.96 1rq4 n LEU 96 CO 0.15 -0.15 0.13 1.41 -1.33 0.00 0.00 177.39 177.61 1rq4 n HIS 97 N -2.59 -2.38 -3.52 -1.77 8.25 -0.87 -4.97 115.22 107.36 1rq4 n HIS 97 Ca -0.01 0.95 -0.38 0.00 -0.26 0.00 0.00 57.72 58.03 1rq4 n HIS 97 Cb 0.55 -4.95 -0.09 0.00 1.12 0.00 0.00 29.99 26.62 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 -3.38 5.27 -0.00 1.59 1.01 -0.52 -5.04 120.40 119.34 1rq4 s VAL 98 Ca 0.21 0.38 -0.30 0.00 0.00 0.00 0.00 61.98 62.28 1rq4 s VAL 98 Cb -0.10 -3.60 -0.08 0.00 0.00 0.00 0.00 36.38 32.60 1rq4 s VAL 98 CO 0.74 0.26 1.91 -0.62 0.00 0.00 0.00 175.10 177.40 1rq4 s ASP 99 N 1.33 6.43 0.63 3.32 -1.08 -1.26 -4.87 116.67 121.16 1rq4 s ASP 99 Ca 0.12 2.51 0.33 0.00 -0.52 0.00 0.00 52.55 54.99 1rq4 s ASP 99 Cb -0.15 -2.53 1.79 0.00 -1.46 0.00 0.00 42.92 40.57 1rq4 s ASP 99 CO 0.08 -1.09 2.00 -0.65 0.52 0.00 0.00 175.17 176.03 1rq4 h PRO 100 N 10.64 0.00 -0.21 4.34 0.11 -1.96 0.63 132.00 145.56 1rq4 h PRO 100 Ca -0.47 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.70 1rq4 h PRO 100 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1rq4 h PRO 100 CO 0.95 0.00 0.18 1.49 -0.21 0.00 0.00 178.00 180.40 1rq4 h GLU 101 N 0.00 0.00 0.00 1.05 4.57 -1.98 -0.95 114.58 117.27 1rq4 h GLU 101 Ca 0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1rq4 h GLU 101 Cb 0.43 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 1rq4 h GLU 101 CO 0.00 0.00 -0.24 -0.91 -1.18 0.00 0.00 179.01 176.68 1rq4 h ASN 102 N 0.00 0.00 0.08 1.04 4.21 -1.23 -1.98 115.58 117.70 1rq4 h ASN 102 Ca 0.10 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.52 1rq4 h ASN 102 Cb 0.45 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.64 1rq4 h ASN 102 CO -0.00 0.24 -0.29 -0.26 -1.29 0.00 0.00 177.43 175.83 1rq4 h PHE 103 N 0.00 0.38 -0.16 1.19 0.04 -1.34 -2.31 116.94 114.73 1rq4 h PHE 103 Ca -0.00 -0.08 -0.20 0.00 2.80 0.00 0.00 57.97 60.48 1rq4 h PHE 103 Cb 0.46 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.53 1rq4 h PHE 103 CO 0.00 0.60 -0.72 0.00 -0.60 0.00 0.00 178.31 177.59 1rq4 h ARG 104 N 0.30 0.70 -0.24 1.51 3.08 -1.42 -1.90 114.38 116.40 1rq4 h ARG 104 Ca 0.04 -0.54 -0.00 0.00 0.07 0.00 0.00 59.98 59.55 1rq4 h ARG 104 Cb 0.67 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 1rq4 h ARG 104 CO 0.05 1.16 0.14 -0.07 -1.07 0.00 0.00 179.97 180.17 1rq4 h LEU 105 N 0.49 0.30 -1.21 3.04 3.38 -1.41 -1.43 115.31 118.47 1rq4 h LEU 105 Ca -0.03 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1rq4 h LEU 105 Cb 1.33 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 1rq4 h LEU 105 CO 0.14 0.28 0.30 0.25 0.09 0.00 0.00 178.44 179.50 1rq4 h LEU 106 N 0.29 0.76 -0.34 1.67 5.85 -1.42 -0.99 115.31 121.12 1rq4 h LEU 106 Ca 0.09 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1rq4 h LEU 106 Cb 0.05 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 1rq4 h LEU 106 CO -0.01 0.64 0.22 1.23 -0.34 0.00 0.00 178.44 180.17 1rq4 h GLY 107 N 0.93 0.49 1.16 3.75 0.00 -0.83 0.17 103.07 108.74 1rq4 h GLY 107 Ca 0.21 -0.20 -0.12 0.00 0.00 0.00 0.00 47.33 47.23 1rq4 h GLY 107 CO -0.03 0.19 -0.17 3.43 0.00 0.00 0.00 176.54 179.96 1rq4 h ASN 108 N 0.45 0.98 0.16 0.19 2.35 -0.96 -2.18 115.58 116.57 1rq4 h ASN 108 Ca 0.12 -0.35 -0.01 0.00 -0.55 0.00 0.00 56.30 55.52 1rq4 h ASN 108 Cb -0.02 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.09 1rq4 h ASN 108 CO -0.02 1.13 -0.08 0.58 -1.65 0.00 0.00 177.43 177.39 1rq4 h VAL 109 N 0.85 0.90 -1.01 2.81 2.07 -0.95 -2.21 116.25 118.70 1rq4 h VAL 109 Ca 0.12 -0.23 0.23 0.00 0.82 0.00 0.00 66.70 67.64 1rq4 h VAL 109 Cb 0.73 1.04 -0.11 0.00 -1.52 0.00 0.00 31.29 31.43 1rq4 h VAL 109 CO 0.06 0.05 0.61 0.25 0.02 0.00 0.00 177.57 178.56 1rq4 h LEU 110 N -0.32 0.68 -0.67 2.57 5.85 -0.50 0.18 115.31 123.09 1rq4 h LEU 110 Ca -0.02 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1rq4 h LEU 110 Cb 0.25 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1rq4 h LEU 110 CO 0.04 0.17 0.18 0.58 -0.34 0.00 0.00 178.44 179.06 1rq4 h VAL 111 N 0.62 1.26 -0.70 1.05 2.07 -1.09 -0.56 116.25 118.89 1rq4 h VAL 111 Ca 0.61 -0.93 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 1rq4 h VAL 111 Cb 1.14 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 1rq4 h VAL 111 CO -0.40 0.35 0.25 0.00 0.02 0.00 0.00 177.57 177.79 1rq4 h VAL 113 N 1.03 1.26 -0.09 0.00 2.07 -0.64 -0.17 116.25 119.70 1rq4 h VAL 113 Ca 0.23 -1.02 0.04 0.00 0.82 0.00 0.00 66.70 66.77 1rq4 h VAL 113 Cb 0.25 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 1rq4 h VAL 113 CO -0.01 0.36 -0.28 -0.07 0.02 0.00 0.00 177.57 177.58 1rq4 h LEU 114 N 0.70 -0.86 -0.77 2.57 3.38 -0.95 -0.38 115.31 119.00 1rq4 h LEU 114 Ca 0.14 0.13 0.12 0.00 0.09 0.00 0.00 57.88 58.36 1rq4 h LEU 114 Cb 0.47 0.37 -0.08 0.00 0.09 0.00 0.00 40.66 41.50 1rq4 h LEU 114 CO 0.02 -0.33 0.37 0.00 0.09 0.00 0.00 178.44 178.59 1rq4 h ALA 115 N 0.47 1.10 -0.64 1.53 0.00 -1.16 -1.01 119.26 119.55 1rq4 h ALA 115 Ca 0.09 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1rq4 h ALA 115 Cb 0.51 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1rq4 h ALA 115 CO -0.30 -0.09 0.21 1.25 0.00 0.00 0.00 179.25 180.32 1rq4 h HIS 116 N 0.58 0.99 0.03 0.00 -0.00 0.01 -1.24 115.15 115.53 1rq4 h HIS 116 Ca 0.40 -0.08 -0.23 0.00 -0.00 0.00 0.00 60.37 60.46 1rq4 h HIS 116 Cb 0.52 -0.29 -0.02 0.00 -0.00 0.00 0.00 27.41 27.61 1rq4 h HIS 116 CO -0.11 0.79 -1.13 0.45 -0.00 0.00 0.00 177.93 177.93 1rq4 h HIS 117 N 0.94 0.12 -0.00 5.26 -0.00 -0.18 -3.38 115.15 117.91 1rq4 h HIS 117 Ca 0.21 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.49 1rq4 h HIS 117 Cb 0.26 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.66 1rq4 h HIS 117 CO 0.02 1.07 -0.59 1.19 -0.00 0.00 0.00 177.93 179.62 1rq4 n PHE 118 N -3.37 0.00 -1.62 2.45 3.72 -0.47 -5.07 117.46 113.10 1rq4 n PHE 118 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1rq4 n PHE 118 Cb 0.97 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.51 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 1.28 2.86 0.54 1.37 0.00 -0.47 -2.02 105.19 108.75 1rq4 n GLY 119 Ca 0.04 -0.19 0.35 0.00 0.00 0.00 0.00 46.02 46.21 1rq4 n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1rq4 h LYS 120 N 0.00 0.00 0.00 1.61 -0.00 -1.98 0.19 116.57 116.40 1rq4 h LYS 120 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 1rq4 h LYS 120 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.23 1rq4 h LYS 120 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 179.45 177.54 1rq4 n GLU 121 N -3.97 0.30 -3.15 0.07 2.13 -0.86 -3.87 120.64 111.30 1rq4 n GLU 121 Ca 0.26 0.05 -0.44 0.00 0.66 0.00 0.00 57.16 57.69 1rq4 n GLU 121 Cb 1.31 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 31.52 1rq4 n GLU 121 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1rq4 n PHE 122 N -1.32 4.19 -1.64 4.31 7.35 0.67 -4.97 117.46 126.05 1rq4 n PHE 122 Ca 0.11 -3.39 -0.31 0.00 -0.76 0.00 0.00 57.45 53.10 1rq4 n PHE 122 Cb 0.22 -1.62 0.05 0.00 0.35 0.00 0.00 39.48 38.47 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 -1.44 3.97 0.17 -2.13 -4.23 -1.25 -4.75 115.64 105.98 1rq4 s THR 123 Ca 0.32 0.64 -0.16 0.00 -1.18 0.00 0.00 61.69 61.31 1rq4 s THR 123 Cb -0.04 -3.45 0.10 0.00 1.34 0.00 0.00 72.50 70.46 1rq4 s THR 123 CO -0.01 -0.84 1.67 -0.65 -0.54 0.00 0.00 174.62 174.26 1rq4 h PRO 124 N -0.70 0.03 -0.90 3.99 0.11 -1.95 0.23 132.00 132.80 1rq4 h PRO 124 Ca -0.44 -0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.78 1rq4 h PRO 124 Cb 1.22 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.24 1rq4 h PRO 124 CO 0.59 0.02 0.53 -1.35 -0.21 0.00 0.00 178.00 177.57 1rq4 h PRO 125 N 0.03 0.81 -0.19 1.05 0.11 -1.99 0.20 132.00 132.01 1rq4 h PRO 125 Ca 0.20 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.14 1rq4 h PRO 125 Cb 0.31 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 1rq4 h PRO 125 CO -0.41 0.54 -0.40 0.28 -0.21 0.00 0.00 178.00 177.79 1rq4 h VAL 126 N 0.83 1.30 -0.08 3.15 2.07 -1.51 -2.71 116.25 119.30 1rq4 h VAL 126 Ca 0.45 -1.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 1rq4 h VAL 126 Cb 0.48 1.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1rq4 h VAL 126 CO -0.28 0.48 0.00 -0.61 0.02 0.00 0.00 177.57 177.18 1rq4 h GLN 127 N 0.37 0.15 -0.97 1.57 4.15 0.64 -2.40 115.11 118.62 1rq4 h GLN 127 Ca 0.03 -0.05 0.21 0.00 0.77 0.00 0.00 58.65 59.61 1rq4 h GLN 127 Cb 0.87 -0.01 -0.09 0.00 0.21 0.00 0.00 27.48 28.46 1rq4 h GLN 127 CO 0.07 0.41 0.62 0.00 -1.93 0.00 0.00 178.83 178.00 1rq4 h ALA 128 N 0.73 1.98 -0.10 3.38 0.00 -0.50 0.58 119.26 125.34 1rq4 h ALA 128 Ca 0.02 0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.77 1rq4 h ALA 128 Cb 0.34 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1rq4 h ALA 128 CO 0.00 -0.33 -0.81 0.00 0.00 0.00 0.00 179.25 178.11 1rq4 h ALA 129 N 1.62 0.38 0.00 0.00 0.00 -1.31 -2.72 119.26 117.23 1rq4 h ALA 129 Ca 0.54 -0.63 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1rq4 h ALA 129 Cb 1.11 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1rq4 h ALA 129 CO -0.28 0.72 -0.35 1.88 0.00 0.00 0.00 179.25 181.22 1rq4 h TYR 130 N 0.41 0.00 -0.41 0.00 0.05 -0.69 -1.84 116.97 114.49 1rq4 h TYR 130 Ca -0.06 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.59 1rq4 h TYR 130 Cb 1.43 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.16 1rq4 h TYR 130 CO 0.07 0.35 -0.27 1.96 -1.05 0.00 0.00 178.16 179.22 1rq4 h GLN 131 N 0.00 0.92 -0.52 4.88 1.08 -0.83 -0.99 115.11 119.64 1rq4 h GLN 131 Ca -0.00 -0.43 -0.01 0.00 -1.45 0.00 0.00 58.65 56.75 1rq4 h GLN 131 Cb 0.67 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.07 1rq4 h GLN 131 CO 0.05 1.09 0.28 0.87 -0.95 0.00 0.00 178.83 180.16 1rq4 h LYS 132 N 0.74 0.73 0.21 1.46 1.57 -1.20 -1.36 116.57 118.72 1rq4 h LYS 132 Ca 0.08 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1rq4 h LYS 132 Cb 0.85 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1rq4 h LYS 132 CO 0.07 0.58 -0.17 0.28 -0.57 0.00 0.00 179.45 179.64 1rq4 h VAL 133 N 0.69 0.64 -0.09 0.50 2.07 -1.15 -0.48 116.25 118.42 1rq4 h VAL 133 Ca 0.18 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.62 1rq4 h VAL 133 Cb 0.07 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1rq4 h VAL 133 CO -0.03 0.00 -0.30 -0.37 0.02 0.00 0.00 177.57 176.89 1rq4 h VAL 134 N -0.39 1.25 -0.30 2.57 -1.51 -1.11 0.51 116.25 117.28 1rq4 h VAL 134 Ca -0.01 -1.20 -0.01 0.00 -1.23 0.00 0.00 66.70 64.24 1rq4 h VAL 134 Cb 0.35 1.52 -0.01 0.00 -2.13 0.00 0.00 31.29 31.02 1rq4 h VAL 134 CO -0.02 0.36 0.13 0.00 -1.23 0.00 0.00 177.57 176.81 1rq4 h ALA 135 N 1.54 0.39 -0.50 5.19 0.00 -1.05 0.38 119.26 125.20 1rq4 h ALA 135 Ca 0.02 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1rq4 h ALA 135 Cb 0.62 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1rq4 h ALA 135 CO 0.05 -0.03 0.32 0.78 0.00 0.00 0.00 179.25 180.36 1rq4 h GLY 136 N 0.34 0.71 0.96 0.00 0.00 -0.30 -0.21 103.07 104.56 1rq4 h GLY 136 Ca 0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 1rq4 h GLY 136 CO -0.01 0.23 0.20 -2.08 0.00 0.00 0.00 176.54 174.88 1rq4 h VAL 137 N 0.64 1.20 -0.88 4.60 2.07 -0.81 -0.44 116.25 122.63 1rq4 h VAL 137 Ca 0.19 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1rq4 h VAL 137 Cb -0.03 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 1rq4 h VAL 137 CO -0.06 0.23 0.56 0.00 0.02 0.00 0.00 177.57 178.31 1rq4 h ALA 138 N 1.05 1.12 -0.52 1.67 0.00 -0.61 -1.22 119.26 120.74 1rq4 h ALA 138 Ca 0.16 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1rq4 h ALA 138 Cb 0.17 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1rq4 h ALA 138 CO -0.02 0.55 -0.16 -0.91 0.00 0.00 0.00 179.25 178.72 1rq4 h ASN 139 N 1.20 1.04 -0.16 0.00 2.35 -0.79 -2.65 115.58 116.58 1rq4 h ASN 139 Ca 0.32 -0.37 -0.08 0.00 -0.55 0.00 0.00 56.30 55.62 1rq4 h ASN 139 Cb -0.10 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 37.97 1rq4 h ASN 139 CO -0.07 1.18 -0.15 0.00 -1.65 0.00 0.00 177.43 176.74 1rq4 h ALA 140 N 0.90 1.16 0.00 -0.83 0.00 -0.84 -2.29 119.26 117.36 1rq4 h ALA 140 Ca 0.13 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1rq4 h ALA 140 Cb 0.74 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1rq4 h ALA 140 CO 0.06 0.53 0.00 -0.07 0.00 0.00 0.00 179.25 179.77 1rq4 h LEU 141 N 0.50 0.00 0.00 0.00 3.38 -1.05 -3.11 115.31 115.03 1rq4 h LEU 141 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1rq4 h LEU 141 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1rq4 h LEU 141 CO 0.04 0.00 -0.98 0.00 0.09 0.00 0.00 178.44 177.59 1rq4 n ALA 142 N -2.04 3.21 0.23 1.53 0.00 -1.02 -4.42 120.51 118.01 1rq4 n ALA 142 Ca 0.02 -0.36 0.07 0.00 0.00 0.00 0.00 53.44 53.17 1rq4 n ALA 142 Cb 0.39 -1.02 0.56 0.00 0.00 0.00 0.00 19.45 19.38 1rq4 n ALA 142 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1rq4 h HIS 143 N 0.00 0.00 -0.45 0.00 2.07 -1.34 -1.75 115.15 113.68 1rq4 h HIS 143 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1rq4 h HIS 143 Cb 0.76 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.74 1rq4 h HIS 143 CO 0.00 0.16 0.00 1.63 -3.07 0.00 0.00 177.93 176.65 1rq4 n LYS 144 N -4.22 2.45 -2.68 5.12 4.76 -1.26 -4.91 118.16 117.42 1rq4 n LYS 144 Ca -0.02 -1.78 -0.41 0.00 -2.87 0.00 0.00 58.31 53.23 1rq4 n LYS 144 Cb 0.23 -1.53 -0.05 0.00 -1.84 0.00 0.00 35.03 31.85 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 -1.56 3.80 0.00 2.13 1.51 -0.66 -4.79 117.35 117.77 1rq4 s TYR 145 Ca 0.32 1.78 0.00 0.00 -1.01 0.00 0.00 57.07 58.16 1rq4 s TYR 145 Cb 0.19 -3.09 0.00 0.00 -0.11 0.00 0.00 41.96 38.95 1rq4 s TYR 145 CO 0.19 0.07 0.00 -2.39 -1.11 0.00 0.00 175.55 172.30