#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rq4 s LEU 2 N 0.00 4.39 0.60 7.52 1.43 -1.26 -5.05 118.68 126.31 1rq4 s LEU 2 Ca 0.00 1.80 -0.04 0.00 -1.03 0.00 0.00 54.13 54.87 1rq4 s LEU 2 Cb 0.00 -3.58 0.03 0.00 0.03 0.00 0.00 46.19 42.67 1rq4 s LEU 2 CO 0.00 -0.31 0.88 -0.94 0.23 0.00 0.00 176.35 176.21 1rq4 s SER 3 N 0.89 5.28 0.30 2.29 1.04 -1.26 -4.91 113.70 117.34 1rq4 s SER 3 Ca 0.54 0.41 0.01 0.00 0.48 0.00 0.00 55.95 57.39 1rq4 s SER 3 Cb -0.24 -1.30 0.52 0.00 0.10 0.00 0.00 66.02 65.11 1rq4 s SER 3 CO 0.29 -1.22 1.91 -0.65 0.98 0.00 0.00 173.24 174.55 1rq4 h PRO 4 N -0.20 1.00 -0.10 4.02 0.11 -2.00 -0.90 132.00 133.94 1rq4 h PRO 4 Ca -0.44 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 1rq4 h PRO 4 Cb 1.29 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1rq4 h PRO 4 CO 0.58 0.66 -0.15 0.00 -0.21 0.00 0.00 178.00 178.89 1rq4 h ALA 5 N 1.51 1.57 -0.22 -0.75 0.00 -1.99 -1.42 119.26 117.96 1rq4 h ALA 5 Ca 0.39 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1rq4 h ALA 5 Cb 0.19 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1rq4 h ALA 5 CO -0.14 0.31 -0.25 -0.44 0.00 0.00 0.00 179.25 178.72 1rq4 h ASP 6 N 0.14 0.60 -0.34 0.00 3.32 -1.56 -2.20 116.42 116.37 1rq4 h ASP 6 Ca 0.03 -0.49 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 1rq4 h ASP 6 Cb 0.36 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1rq4 h ASP 6 CO 0.02 0.97 0.18 0.11 -1.72 0.00 0.00 179.24 178.80 1rq4 h LYS 7 N 0.24 0.49 -0.12 3.56 1.57 -0.93 -1.14 116.57 120.24 1rq4 h LYS 7 Ca 0.03 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1rq4 h LYS 7 Cb 0.82 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.00 1rq4 h LYS 7 CO 0.06 0.42 -0.11 1.15 -0.57 0.00 0.00 179.45 180.41 1rq4 h THR 8 N 0.43 0.69 -1.00 -0.16 2.02 -1.32 -1.30 112.91 112.27 1rq4 h THR 8 Ca 0.12 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.40 1rq4 h THR 8 Cb 0.09 0.69 -0.08 0.00 -1.74 0.00 0.00 68.15 67.11 1rq4 h THR 8 CO -0.02 0.00 0.64 0.78 0.37 0.00 0.00 175.52 177.29 1rq4 h ASN 9 N -0.13 0.98 0.42 4.18 2.35 -0.93 -1.40 115.58 121.05 1rq4 h ASN 9 Ca 0.08 0.03 -0.22 0.00 -0.55 0.00 0.00 56.30 55.65 1rq4 h ASN 9 Cb 0.25 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 1rq4 h ASN 9 CO -0.20 0.57 -0.92 0.58 -1.65 0.00 0.00 177.43 175.81 1rq4 h VAL 10 N 1.08 1.43 -0.35 2.81 2.07 -0.69 -1.71 116.25 120.89 1rq4 h VAL 10 Ca 0.47 -2.50 -0.11 0.00 0.82 0.00 0.00 66.70 65.38 1rq4 h VAL 10 Cb 0.35 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 1rq4 h VAL 10 CO -0.22 0.74 -0.21 0.11 0.02 0.00 0.00 177.57 178.01 1rq4 h LYS 11 N 0.19 0.76 0.58 1.57 1.57 -0.76 -0.05 116.57 120.43 1rq4 h LYS 11 Ca -0.07 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.34 1rq4 h LYS 11 Cb 1.55 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.83 1rq4 h LYS 11 CO 0.15 0.97 -0.44 0.00 -0.57 0.00 0.00 179.45 179.56 1rq4 h ALA 12 N 0.78 -1.17 -0.40 3.86 0.00 -1.25 0.23 119.26 121.30 1rq4 h ALA 12 Ca 0.07 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.87 1rq4 h ALA 12 Cb 0.76 0.62 -0.08 0.00 0.00 0.00 0.00 17.79 19.09 1rq4 h ALA 12 CO 0.06 -1.17 -0.11 0.00 0.00 0.00 0.00 179.25 178.03 1rq4 h ALA 13 N -1.14 0.24 0.00 0.00 0.00 -1.31 0.44 119.26 117.50 1rq4 h ALA 13 Ca -0.08 0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1rq4 h ALA 13 Cb 0.82 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1rq4 h ALA 13 CO 0.02 -0.47 -0.25 2.35 0.00 0.00 0.00 179.25 180.91 1rq4 h TRP 14 N -0.02 0.00 -0.64 0.00 2.91 -0.81 -2.86 115.95 114.53 1rq4 h TRP 14 Ca 0.19 0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.26 1rq4 h TRP 14 Cb 0.31 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 28.91 1rq4 h TRP 14 CO -0.37 0.25 0.37 0.78 -1.03 0.00 0.00 178.44 178.44 1rq4 h GLY 15 N 1.25 0.93 0.78 2.65 0.00 0.18 -2.95 103.07 105.91 1rq4 h GLY 15 Ca -0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 1rq4 h GLY 15 CO 0.03 0.19 -0.32 0.50 0.00 0.00 0.00 176.54 176.95 1rq4 h LYS 16 N 0.71 -0.86 -0.37 4.80 1.79 -1.30 -2.65 116.57 118.67 1rq4 h LYS 16 Ca 0.27 0.06 0.06 0.00 -2.18 0.00 0.00 60.65 58.87 1rq4 h LYS 16 Cb 0.11 0.20 -0.06 0.00 -1.58 0.00 0.00 32.23 30.89 1rq4 h LYS 16 CO -0.15 -0.54 -0.13 0.28 -1.08 0.00 0.00 179.45 177.83 1rq4 n VAL 17 N -5.40 -0.19 -0.00 0.50 0.31 -1.18 -4.49 118.33 107.87 1rq4 n VAL 17 Ca -0.12 0.87 0.00 0.00 -0.01 0.00 0.00 64.34 65.08 1rq4 n VAL 17 Cb 0.37 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 1rq4 n VAL 17 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rq4 n GLY 18 N -1.19 2.78 0.22 2.92 0.00 -1.00 -0.48 105.19 108.43 1rq4 n GLY 18 Ca 0.04 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.18 1rq4 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rq4 h ALA 19 N -0.21 1.10 -0.22 4.61 0.00 -1.88 -2.05 119.26 120.61 1rq4 h ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rq4 h ALA 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1rq4 h ALA 19 CO 0.00 -0.10 0.00 0.72 0.00 0.00 0.00 179.25 179.87 1rq4 n HIS 20 N -2.43 0.31 -0.09 0.00 -0.00 0.37 -4.35 115.22 109.02 1rq4 n HIS 20 Ca -0.02 -0.15 -0.07 0.00 -0.00 0.00 0.00 57.72 57.48 1rq4 n HIS 20 Cb 0.17 -0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.15 1rq4 n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1rq4 h ALA 21 N 3.35 0.39 -0.83 -1.41 0.00 -1.49 -2.20 119.26 117.07 1rq4 h ALA 21 Ca 0.00 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1rq4 h ALA 21 Cb 0.33 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1rq4 h ALA 21 CO 0.01 -0.23 0.52 0.78 0.00 0.00 0.00 179.25 180.33 1rq4 h GLY 22 N 0.32 1.23 1.00 0.00 0.00 -1.84 0.07 103.07 103.84 1rq4 h GLY 22 Ca 0.14 -0.38 -0.15 0.00 0.00 0.00 0.00 47.33 46.94 1rq4 h GLY 22 CO -0.10 0.28 -0.45 0.83 0.00 0.00 0.00 176.54 177.10 1rq4 h GLU 23 N 0.97 0.69 -0.43 4.80 5.08 -1.82 -2.39 114.58 121.48 1rq4 h GLU 23 Ca 0.35 -0.45 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 1rq4 h GLU 23 Cb 0.11 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1rq4 h GLU 23 CO -0.15 1.07 -0.10 1.88 -1.00 0.00 0.00 179.01 180.71 1rq4 h TYR 24 N 0.40 0.84 -0.20 4.33 -1.99 -1.20 0.03 116.97 119.18 1rq4 h TYR 24 Ca 0.01 -0.15 0.05 0.00 2.00 0.00 0.00 58.73 60.63 1rq4 h TYR 24 Cb 1.06 -0.22 -0.05 0.00 2.00 0.00 0.00 36.73 39.52 1rq4 h TYR 24 CO 0.09 0.83 -0.10 0.78 -0.00 0.00 0.00 178.16 179.76 1rq4 h GLY 25 N 0.97 0.07 1.31 3.88 0.00 -0.90 -0.05 103.07 108.35 1rq4 h GLY 25 Ca 0.12 0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.52 1rq4 h GLY 25 CO 0.04 -0.12 0.09 0.00 0.00 0.00 0.00 176.54 176.54 1rq4 h ALA 26 N 1.09 1.14 -0.58 3.60 0.00 -1.19 -2.57 119.26 120.74 1rq4 h ALA 26 Ca 0.11 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1rq4 h ALA 26 Cb 0.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1rq4 h ALA 26 CO -0.25 0.57 0.12 1.49 0.00 0.00 0.00 179.25 181.18 1rq4 h GLU 27 N 0.82 0.94 -0.77 0.00 4.81 -0.51 -1.96 114.58 117.90 1rq4 h GLU 27 Ca 0.17 -0.24 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1rq4 h GLU 27 Cb 0.36 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1rq4 h GLU 27 CO 0.01 0.88 0.32 0.00 -0.73 0.00 0.00 179.01 179.48 1rq4 h ALA 28 N 1.02 1.00 -0.33 2.92 0.00 -0.79 -1.09 119.26 121.99 1rq4 h ALA 28 Ca 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1rq4 h ALA 28 Cb 0.38 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1rq4 h ALA 28 CO 0.01 0.62 0.18 -0.07 0.00 0.00 0.00 179.25 179.98 1rq4 h LEU 29 N 1.11 0.41 -0.41 0.00 3.38 -1.28 -0.94 115.31 117.58 1rq4 h LEU 29 Ca 0.26 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.14 1rq4 h LEU 29 Cb 0.20 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1rq4 h LEU 29 CO -0.02 0.38 0.27 -0.08 0.09 0.00 0.00 178.44 179.08 1rq4 h GLU 30 N 0.41 0.53 -0.79 1.13 4.81 -0.96 -1.47 114.58 118.24 1rq4 h GLU 30 Ca 0.12 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1rq4 h GLU 30 Cb 0.07 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 1rq4 h GLU 30 CO -0.02 0.35 0.51 0.00 -0.73 0.00 0.00 179.01 179.13 1rq4 h ARG 31 N 0.55 1.05 -0.42 1.92 3.08 -0.94 -2.25 114.38 117.37 1rq4 h ARG 31 Ca 0.15 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1rq4 h ARG 31 Cb -0.05 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.74 1rq4 h ARG 31 CO -0.04 0.70 0.22 1.98 -1.07 0.00 0.00 179.97 181.77 1rq4 h MET 32 N 1.07 0.59 -0.27 0.04 4.05 -0.70 0.17 114.93 119.89 1rq4 h MET 32 Ca 0.29 -0.07 -0.06 0.00 -0.28 0.00 0.00 59.70 59.58 1rq4 h MET 32 Cb -0.11 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.57 1rq4 h MET 32 CO -0.06 0.48 -0.08 0.74 0.23 0.00 0.00 176.91 178.22 1rq4 h PHE 33 N 0.54 0.45 0.15 1.39 0.04 -1.07 0.33 116.94 118.77 1rq4 h PHE 33 Ca 0.15 -0.05 -0.34 0.00 2.80 0.00 0.00 57.97 60.52 1rq4 h PHE 33 Cb 0.07 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.09 1rq4 h PHE 33 CO -0.02 0.51 -1.75 -0.07 -0.60 0.00 0.00 178.31 176.37 1rq4 h LEU 34 N 0.40 0.49 -0.22 1.54 3.38 -1.29 -3.30 115.31 116.31 1rq4 h LEU 34 Ca 0.08 -0.80 -0.22 0.00 0.09 0.00 0.00 57.88 57.03 1rq4 h LEU 34 Cb 0.40 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1rq4 h LEU 34 CO 0.02 1.69 -0.89 0.28 0.09 0.00 0.00 178.44 179.62 1rq4 h SER 35 N 0.09 0.51 -2.35 -0.43 0.02 -0.55 -3.39 113.55 107.45 1rq4 h SER 35 Ca -0.34 -0.40 -0.59 0.00 -0.84 0.00 0.00 61.79 59.63 1rq4 h SER 35 Cb 2.06 -0.16 -0.40 0.00 0.14 0.00 0.00 62.40 64.05 1rq4 h SER 35 CO 0.15 1.18 -0.84 0.49 -1.14 0.00 0.00 176.83 176.68 1rq4 n PHE 36 N -3.76 1.26 0.09 3.45 3.72 0.11 -5.01 117.46 117.33 1rq4 n PHE 36 Ca -0.06 -3.80 0.20 0.00 -0.05 0.00 0.00 57.45 53.74 1rq4 n PHE 36 Cb 0.81 -0.31 0.73 0.00 -0.94 0.00 0.00 39.48 39.76 1rq4 n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1rq4 h PRO 37 N 4.71 0.00 0.00 -1.08 0.11 -1.74 0.77 132.00 134.76 1rq4 h PRO 37 Ca 0.17 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 1rq4 h PRO 37 Cb 0.80 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 1rq4 h PRO 37 CO 0.59 0.00 -0.01 1.79 -0.21 0.00 0.00 178.00 180.16 1rq4 h THR 38 N 0.00 0.39 0.00 -1.15 1.35 -1.91 -1.62 112.91 109.97 1rq4 h THR 38 Ca 0.20 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 66.01 1rq4 h THR 38 Cb 1.18 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1rq4 h THR 38 CO -0.00 0.01 0.00 0.71 -0.25 0.00 0.00 175.52 175.99 1rq4 h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.15 -2.81 112.91 117.11 1rq4 h THR 39 Ca -0.00 -0.16 -0.01 0.00 -0.55 0.00 0.00 66.41 65.69 1rq4 h THR 39 Cb 0.03 1.08 -0.00 0.00 -1.73 0.00 0.00 68.15 67.53 1rq4 h THR 39 CO 0.00 0.00 -0.06 0.11 -0.25 0.00 0.00 175.52 175.32 1rq4 h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.50 -2.90 116.57 118.46 1rq4 h LYS 40 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rq4 h LYS 40 Cb 0.16 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1rq4 h LYS 40 CO 0.00 0.06 -0.00 1.79 -0.57 0.00 0.00 179.45 180.73 1rq4 h THR 41 N 0.00 0.06 -0.01 -0.16 1.35 -1.69 0.13 112.91 112.58 1rq4 h THR 41 Ca -0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1rq4 h THR 41 Cb 0.59 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1rq4 h THR 41 CO 0.01 0.00 -0.06 -1.22 -0.25 0.00 0.00 175.52 174.00 1rq4 n TYR 42 N -3.16 0.00 -2.64 4.73 4.01 -1.10 -4.26 117.16 114.74 1rq4 n TYR 42 Ca -0.03 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.61 1rq4 n TYR 42 Cb 0.11 -0.06 0.03 0.00 -0.31 0.00 0.00 39.34 39.10 1rq4 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1rq4 n PHE 43 N -0.46 1.56 0.25 -0.72 3.01 0.03 -4.90 117.46 116.22 1rq4 n PHE 43 Ca 0.18 -2.70 0.09 0.00 1.01 0.00 0.00 57.45 56.03 1rq4 n PHE 43 Cb 0.28 -0.31 0.63 0.00 -0.01 0.00 0.00 39.48 40.07 1rq4 n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1rq4 h PRO 44 N 2.84 0.00 0.00 -1.08 0.13 -1.74 -2.37 132.00 129.78 1rq4 h PRO 44 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1rq4 h PRO 44 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1rq4 h PRO 44 CO 0.50 0.13 -0.13 -2.39 -0.23 0.00 0.00 178.00 175.88 1rq4 n HIS 45 N -4.07 0.34 -3.40 1.56 1.44 -1.26 -4.89 115.22 104.94 1rq4 n HIS 45 Ca -0.02 0.10 -0.33 0.00 -2.01 0.00 0.00 57.72 55.46 1rq4 n HIS 45 Cb 0.21 -0.62 -0.06 0.00 0.12 0.00 0.00 29.99 29.65 1rq4 n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1rq4 s PHE 46 N -3.05 3.49 -0.07 -1.40 0.40 -0.89 -5.05 117.98 111.41 1rq4 s PHE 46 Ca 0.12 0.94 -0.30 0.00 -0.60 0.00 0.00 56.93 57.09 1rq4 s PHE 46 Cb 0.16 -2.30 -0.02 0.00 0.51 0.00 0.00 43.02 41.37 1rq4 s PHE 46 CO 0.59 0.32 1.09 0.34 0.70 0.00 0.00 175.22 178.27 1rq4 s ASP 47 N -2.13 7.17 -0.11 1.36 -1.08 -1.26 -4.91 116.67 115.70 1rq4 s ASP 47 Ca 0.44 1.67 0.14 0.00 -0.52 0.00 0.00 52.55 54.28 1rq4 s ASP 47 Cb -0.12 -2.56 0.38 0.00 -1.46 0.00 0.00 42.92 39.16 1rq4 s ASP 47 CO 0.20 -0.49 1.29 0.18 0.52 0.00 0.00 175.17 176.87 1rq4 n LEU 48 N 4.99 3.18 -4.71 -1.34 4.77 -1.26 -4.47 117.00 118.16 1rq4 n LEU 48 Ca 0.09 -2.71 -0.30 0.00 -0.03 0.00 0.00 56.01 53.06 1rq4 n LEU 48 Cb 0.48 -0.40 0.13 0.00 -2.33 0.00 0.00 43.42 41.30 1rq4 n LEU 48 CO 0.53 0.68 0.67 -0.94 -1.33 0.00 0.00 177.39 177.00 1rq4 s SER 49 N -1.82 3.57 0.21 -1.43 1.04 -1.26 -4.90 113.70 109.11 1rq4 s SER 49 Ca 0.32 1.80 -0.32 0.00 0.48 0.00 0.00 55.95 58.22 1rq4 s SER 49 Cb 0.25 -2.42 -0.12 0.00 0.10 0.00 0.00 66.02 63.83 1rq4 s SER 49 CO 0.08 -2.63 1.69 1.57 0.98 0.00 0.00 173.24 174.94 1rq4 n HIS 50 N -3.90 2.69 -0.92 5.02 -0.00 -1.26 -3.07 115.22 113.78 1rq4 n HIS 50 Ca 0.09 0.09 0.00 0.00 0.46 0.00 0.00 57.72 58.36 1rq4 n HIS 50 Cb 0.53 -2.65 0.00 0.00 -0.12 0.00 0.00 29.99 27.75 1rq4 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1rq4 n GLY 51 N 3.74 0.32 3.77 1.57 0.00 -1.26 -5.00 105.19 108.33 1rq4 n GLY 51 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1rq4 n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rq4 s SER 52 N -2.16 4.48 0.17 1.61 1.04 -1.17 -4.85 113.70 112.82 1rq4 s SER 52 Ca 0.00 1.71 -0.10 0.00 0.48 0.00 0.00 55.95 58.04 1rq4 s SER 52 Cb 0.00 -2.44 0.05 0.00 0.10 0.00 0.00 66.02 63.73 1rq4 s SER 52 CO 0.00 -2.04 1.63 0.00 0.98 0.00 0.00 173.24 173.81 1rq4 h ALA 53 N -1.13 0.77 -0.27 5.32 0.00 -1.92 -2.58 119.26 119.45 1rq4 h ALA 53 Ca -0.45 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.23 1rq4 h ALA 53 Cb 1.24 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 1rq4 h ALA 53 CO 0.53 0.59 -0.17 1.96 0.00 0.00 0.00 179.25 182.16 1rq4 h GLN 54 N 0.89 -0.14 -0.67 0.00 4.20 -1.93 0.28 115.11 117.74 1rq4 h GLN 54 Ca 0.16 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.88 1rq4 h GLN 54 Cb 0.54 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.32 1rq4 h GLN 54 CO 0.03 -0.09 0.40 0.28 -0.67 0.00 0.00 178.83 178.77 1rq4 h VAL 55 N -0.14 1.19 0.07 -0.54 2.07 -1.77 -1.15 116.25 115.97 1rq4 h VAL 55 Ca 0.14 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.25 1rq4 h VAL 55 Cb 0.36 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 1rq4 h VAL 55 CO -0.35 0.20 -0.46 0.11 0.02 0.00 0.00 177.57 177.09 1rq4 h LYS 56 N 0.90 -0.63 -0.79 1.57 1.57 -0.84 -0.74 116.57 117.62 1rq4 h LYS 56 Ca 0.24 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.10 1rq4 h LYS 56 Cb -0.02 0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 1rq4 h LYS 56 CO -0.04 -0.42 0.49 0.78 -0.57 0.00 0.00 179.45 179.69 1rq4 h GLY 57 N -0.65 1.16 1.82 3.86 0.00 -0.11 -2.05 103.07 107.10 1rq4 h GLY 57 Ca 0.02 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 46.88 1rq4 h GLY 57 CO -0.29 0.28 -0.42 0.84 0.00 0.00 0.00 176.54 176.95 1rq4 h HIS 58 N 0.93 0.23 -0.80 5.60 -0.00 -1.06 -2.41 115.15 117.65 1rq4 h HIS 58 Ca 0.33 -0.06 0.07 0.00 -0.00 0.00 0.00 60.37 60.70 1rq4 h HIS 58 Cb 0.08 -0.05 -0.05 0.00 -0.00 0.00 0.00 27.41 27.39 1rq4 h HIS 58 CO -0.04 0.59 0.52 0.78 -0.00 0.00 0.00 177.93 179.79 1rq4 h GLY 59 N 1.25 1.11 1.32 5.26 0.00 -0.39 -0.80 103.07 110.82 1rq4 h GLY 59 Ca 0.01 -0.35 -0.22 0.00 0.00 0.00 0.00 47.33 46.78 1rq4 h GLY 59 CO 0.06 0.25 -0.81 1.70 0.00 0.00 0.00 176.54 177.75 1rq4 h LYS 60 N 0.86 0.65 -0.69 4.80 3.64 -1.30 -2.11 116.57 122.42 1rq4 h LYS 60 Ca 0.35 -0.56 -0.04 0.00 -1.27 0.00 0.00 60.65 59.12 1rq4 h LYS 60 Cb 0.24 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 1rq4 h LYS 60 CO -0.12 1.18 0.28 0.87 -2.27 0.00 0.00 179.45 179.39 1rq4 h LYS 61 N 0.43 1.02 0.09 1.90 1.57 -1.15 -0.35 116.57 120.08 1rq4 h LYS 61 Ca -0.06 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1rq4 h LYS 61 Cb 1.43 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1rq4 h LYS 61 CO 0.16 0.83 -0.04 0.28 -0.57 0.00 0.00 179.45 180.10 1rq4 h VAL 62 N 1.00 1.12 -0.68 0.50 2.07 -1.10 -2.71 116.25 116.45 1rq4 h VAL 62 Ca 0.23 -0.80 0.08 0.00 0.82 0.00 0.00 66.70 67.04 1rq4 h VAL 62 Cb 0.19 1.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.52 1rq4 h VAL 62 CO -0.02 0.19 0.35 0.00 0.02 0.00 0.00 177.57 178.11 1rq4 h ALA 63 N 0.38 0.92 -0.40 1.67 0.00 -1.23 -1.92 119.26 118.68 1rq4 h ALA 63 Ca -0.01 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1rq4 h ALA 63 Cb 0.41 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1rq4 h ALA 63 CO 0.02 -0.03 0.22 -0.44 0.00 0.00 0.00 179.25 179.03 1rq4 h ASP 64 N 0.61 0.35 -1.00 0.00 3.32 -1.05 0.18 116.42 118.83 1rq4 h ASP 64 Ca 0.32 0.01 0.11 0.00 0.02 0.00 0.00 57.03 57.49 1rq4 h ASP 64 Cb 0.30 -0.06 -0.08 0.00 0.22 0.00 0.00 39.33 39.70 1rq4 h ASP 64 CO -0.24 0.25 0.63 0.00 -1.72 0.00 0.00 179.24 178.16 1rq4 h ALA 65 N 1.19 1.47 -0.19 3.45 0.00 -1.10 0.17 119.26 124.27 1rq4 h ALA 65 Ca 0.16 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.88 1rq4 h ALA 65 Cb 0.03 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.61 1rq4 h ALA 65 CO -0.09 0.27 -0.69 -0.07 0.00 0.00 0.00 179.25 178.67 1rq4 h LEU 66 N 1.03 0.92 -0.64 0.00 3.38 -0.50 -0.83 115.31 118.67 1rq4 h LEU 66 Ca 0.48 -0.60 0.05 0.00 0.09 0.00 0.00 57.88 57.90 1rq4 h LEU 66 Cb 0.42 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 1rq4 h LEU 66 CO -0.25 1.37 0.36 0.74 0.09 0.00 0.00 178.44 180.76 1rq4 h THR 67 N 0.53 0.99 -0.88 0.22 2.02 -0.19 0.25 112.91 115.85 1rq4 h THR 67 Ca -0.03 -0.23 0.02 0.00 0.77 0.00 0.00 66.41 66.94 1rq4 h THR 67 Cb 1.31 0.25 -0.05 0.00 -1.74 0.00 0.00 68.15 67.92 1rq4 h THR 67 CO 0.14 0.12 0.58 -1.13 0.37 0.00 0.00 175.52 175.61 1rq4 h ASN 68 N 0.68 0.97 -0.19 4.18 -1.24 -0.47 -1.58 115.58 117.94 1rq4 h ASN 68 Ca 0.28 -0.01 -0.11 0.00 0.71 0.00 0.00 56.30 57.17 1rq4 h ASN 68 Cb 0.14 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 38.95 1rq4 h ASN 68 CO -0.16 0.68 -0.23 0.00 -1.29 0.00 0.00 177.43 176.43 1rq4 h ALA 69 N 1.35 0.97 -0.54 1.57 0.00 0.70 -1.85 119.26 121.47 1rq4 h ALA 69 Ca 0.34 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1rq4 h ALA 69 Cb -0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1rq4 h ALA 69 CO -0.10 0.60 0.15 0.28 0.00 0.00 0.00 179.25 180.18 1rq4 h VAL 70 N 0.57 1.24 0.00 0.00 2.07 0.04 -1.81 116.25 118.35 1rq4 h VAL 70 Ca 0.08 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 1rq4 h VAL 70 Cb 0.70 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1rq4 h VAL 70 CO 0.05 0.31 -0.12 0.00 0.02 0.00 0.00 177.57 177.83 1rq4 h ALA 71 N 1.02 1.00 -0.81 1.67 0.00 -1.16 -3.13 119.26 117.85 1rq4 h ALA 71 Ca 0.17 -0.11 -0.58 0.00 0.00 0.00 0.00 54.91 54.39 1rq4 h ALA 71 Cb 0.31 -0.02 -0.38 0.00 0.00 0.00 0.00 17.79 17.70 1rq4 h ALA 71 CO -0.00 0.15 -0.35 0.72 0.00 0.00 0.00 179.25 179.77 1rq4 n HIS 72 N -3.24 2.84 0.22 0.00 8.25 -0.71 -4.86 115.22 117.72 1rq4 n HIS 72 Ca 0.01 -2.42 0.05 0.00 -0.26 0.00 0.00 57.72 55.10 1rq4 n HIS 72 Cb 0.40 -0.64 0.51 0.00 1.12 0.00 0.00 29.99 31.38 1rq4 n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1rq4 h VAL 73 N 1.84 1.11 -0.00 1.59 3.04 -1.28 -1.36 116.25 121.19 1rq4 h VAL 73 Ca 0.43 -0.64 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 1rq4 h VAL 73 Cb 1.35 1.35 0.00 0.00 -2.01 0.00 0.00 31.29 31.97 1rq4 h VAL 73 CO 0.97 0.18 -0.02 0.47 -1.01 0.00 0.00 177.57 178.17 1rq4 n ASP 74 N -4.29 0.16 -2.81 3.17 8.00 -1.26 -3.99 116.55 115.53 1rq4 n ASP 74 Ca -0.02 -0.67 -0.00 0.00 0.71 0.00 0.00 54.79 54.80 1rq4 n ASP 74 Cb 0.25 -0.11 0.06 0.00 -0.02 0.00 0.00 41.12 41.30 1rq4 n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1rq4 n ASP 75 N -1.02 1.05 -0.04 -2.24 2.03 -0.54 -5.00 116.55 110.79 1rq4 n ASP 75 Ca 0.19 -2.05 -0.08 0.00 0.52 0.00 0.00 54.79 53.36 1rq4 n ASP 75 Cb 0.20 -0.28 -0.03 0.00 -0.72 0.00 0.00 41.12 40.29 1rq4 n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1rq4 h MET 76 N 2.33 -0.04 -0.88 -0.67 2.86 -1.61 -1.85 114.93 115.09 1rq4 h MET 76 Ca -0.19 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.60 1rq4 h MET 76 Cb 1.28 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.88 1rq4 h MET 76 CO 0.12 -0.02 0.57 -1.35 1.06 0.00 0.00 176.91 177.28 1rq4 h PRO 77 N -0.04 0.60 0.15 -0.22 0.11 -1.94 0.15 132.00 130.80 1rq4 h PRO 77 Ca 0.10 -0.04 -0.31 0.00 0.11 0.00 0.00 66.00 65.87 1rq4 h PRO 77 Cb 0.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.17 1rq4 h PRO 77 CO -0.22 0.40 -1.49 -0.91 -0.21 0.00 0.00 178.00 175.56 1rq4 h ASN 78 N 0.62 0.48 1.27 -2.05 4.21 -1.85 -2.74 115.58 115.53 1rq4 h ASN 78 Ca 0.44 -0.61 -0.00 0.00 1.21 0.00 0.00 56.30 57.34 1rq4 h ASN 78 Cb 0.80 -0.16 -0.00 0.00 -1.12 0.00 0.00 38.32 37.85 1rq4 h ASN 78 CO -0.20 1.50 -0.01 0.00 -1.29 0.00 0.00 177.43 177.43 1rq4 h ALA 79 N 0.42 1.00 -0.39 -0.83 0.00 -0.45 -2.97 119.26 116.05 1rq4 h ALA 79 Ca -0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1rq4 h ALA 79 Cb 2.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.83 1rq4 h ALA 79 CO 0.19 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.73 1rq4 n LEU 80 N -3.11 3.04 -0.17 0.00 4.77 0.41 -4.80 117.00 117.14 1rq4 n LEU 80 Ca 0.01 -1.93 -0.02 0.00 -0.03 0.00 0.00 56.01 54.05 1rq4 n LEU 80 Cb 0.37 -0.26 0.08 0.00 -2.33 0.00 0.00 43.42 41.28 1rq4 n LEU 80 CO 0.29 0.75 0.94 0.77 -1.33 0.00 0.00 177.39 178.82 1rq4 h SER 81 N 2.44 0.11 -0.03 -1.43 4.64 -1.31 0.33 113.55 118.28 1rq4 h SER 81 Ca 0.00 0.08 -0.07 0.00 -0.47 0.00 0.00 61.79 61.33 1rq4 h SER 81 Cb 0.76 0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.92 1rq4 h SER 81 CO 0.00 0.08 -0.18 0.00 -0.87 0.00 0.00 176.83 175.86 1rq4 h ALA 82 N 1.38 1.27 -0.19 5.18 0.00 -1.87 -0.38 119.26 124.65 1rq4 h ALA 82 Ca 0.26 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1rq4 h ALA 82 Cb 0.33 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1rq4 h ALA 82 CO -0.30 0.48 -0.30 1.25 0.00 0.00 0.00 179.25 180.38 1rq4 h LEU 83 N 0.36 0.59 -0.83 0.00 6.46 -1.45 -0.03 115.31 120.41 1rq4 h LEU 83 Ca 0.06 -0.52 0.08 0.00 -0.12 0.00 0.00 57.88 57.38 1rq4 h LEU 83 Cb 0.53 -0.17 -0.07 0.00 -0.73 0.00 0.00 40.66 40.22 1rq4 h LEU 83 CO 0.03 1.00 0.49 -1.28 -0.62 0.00 0.00 178.44 178.07 1rq4 h SER 84 N 0.20 0.73 -0.09 1.25 0.87 -0.90 0.14 113.55 115.75 1rq4 h SER 84 Ca 0.02 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.62 1rq4 h SER 84 Cb 0.88 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 1rq4 h SER 84 CO 0.07 0.44 0.03 0.44 -0.53 0.00 0.00 176.83 177.28 1rq4 h ASP 85 N 0.86 0.02 -0.63 6.23 5.19 -0.75 -1.38 116.42 125.96 1rq4 h ASP 85 Ca 0.38 0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.75 1rq4 h ASP 85 Cb 0.28 0.01 -0.03 0.00 0.18 0.00 0.00 39.33 39.77 1rq4 h ASP 85 CO -0.21 0.03 0.20 0.25 -3.12 0.00 0.00 179.24 176.38 1rq4 h LEU 86 N 0.07 0.94 -0.55 1.55 5.85 -0.20 -2.00 115.31 120.97 1rq4 h LEU 86 Ca 0.04 -0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.51 1rq4 h LEU 86 Cb 0.03 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 1rq4 h LEU 86 CO -0.05 0.88 0.03 0.45 -0.34 0.00 0.00 178.44 179.42 1rq4 h HIS 87 N 0.97 1.04 -0.14 1.25 3.86 -0.52 -1.54 115.15 120.07 1rq4 h HIS 87 Ca 0.21 -0.17 -0.20 0.00 -1.16 0.00 0.00 60.37 59.06 1rq4 h HIS 87 Cb 0.29 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1rq4 h HIS 87 CO 0.02 0.93 -0.71 0.00 0.86 0.00 0.00 177.93 179.04 1rq4 h ALA 88 N 0.97 0.50 0.00 2.45 0.00 -1.02 0.10 119.26 122.27 1rq4 h ALA 88 Ca 0.16 -0.58 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 1rq4 h ALA 88 Cb 0.50 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1rq4 h ALA 88 CO 0.02 0.72 -1.89 0.72 0.00 0.00 0.00 179.25 178.82 1rq4 n HIS 89 N -3.91 0.00 -0.01 0.00 8.25 -0.77 -4.66 115.22 114.13 1rq4 n HIS 89 Ca -0.05 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.39 1rq4 n HIS 89 Cb 0.70 -0.48 -0.01 0.00 1.12 0.00 0.00 29.99 31.33 1rq4 n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1rq4 n LYS 90 N -2.20 0.03 -0.03 -0.41 4.81 -0.66 -4.89 118.16 114.81 1rq4 n LYS 90 Ca -0.06 0.01 -0.14 0.00 -0.87 0.00 0.00 58.31 57.25 1rq4 n LYS 90 Cb 0.55 -0.56 -0.10 0.00 0.02 0.00 0.00 35.03 34.94 1rq4 n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1rq4 h LEU 91 N -0.06 0.20 -1.61 3.14 3.38 -1.34 -3.48 115.31 115.53 1rq4 h LEU 91 Ca -0.04 -0.68 -0.44 0.00 0.09 0.00 0.00 57.88 56.81 1rq4 h LEU 91 Cb 0.98 -0.06 0.02 0.00 0.09 0.00 0.00 40.66 41.69 1rq4 h LEU 91 CO -0.02 0.85 -0.82 0.54 0.09 0.00 0.00 178.44 179.07 1rq4 n ARG 92 N -4.58 -4.82 -2.52 1.13 1.74 0.36 -4.95 116.66 103.02 1rq4 n ARG 92 Ca -0.09 0.58 -0.42 0.00 -0.77 0.00 0.00 57.85 57.16 1rq4 n ARG 92 Cb 0.43 -5.16 -0.03 0.00 -1.02 0.00 0.00 32.46 26.68 1rq4 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1rq4 s VAL 93 N -3.62 4.25 0.25 1.55 1.01 -1.26 -4.97 120.40 117.61 1rq4 s VAL 93 Ca 0.16 1.67 -0.31 0.00 0.00 0.00 0.00 61.98 63.49 1rq4 s VAL 93 Cb -0.08 -4.07 -0.13 0.00 0.00 0.00 0.00 36.38 32.10 1rq4 s VAL 93 CO 0.83 0.16 1.45 -0.67 0.00 0.00 0.00 175.10 176.86 1rq4 n ASP 94 N 3.67 2.99 -0.09 3.32 -0.08 -1.26 -4.85 116.55 120.24 1rq4 n ASP 94 Ca 0.07 1.14 0.26 0.00 -1.51 0.00 0.00 54.79 54.75 1rq4 n ASP 94 Cb 0.48 -1.46 0.68 0.00 2.34 0.00 0.00 41.12 43.15 1rq4 n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1rq4 h PRO 95 N 4.35 0.00 -0.04 -0.67 0.11 -2.00 -1.96 132.00 131.79 1rq4 h PRO 95 Ca -0.45 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 1rq4 h PRO 95 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1rq4 h PRO 95 CO 0.77 0.00 -0.30 0.28 -0.21 0.00 0.00 178.00 178.54 1rq4 h VAL 96 N 0.00 1.23 0.00 3.15 2.07 -2.04 -2.84 116.25 117.82 1rq4 h VAL 96 Ca 0.36 -1.08 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 1rq4 h VAL 96 Cb 1.83 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 33.13 1rq4 h VAL 96 CO -0.00 0.31 -0.14 0.78 0.02 0.00 0.00 177.57 178.54 1rq4 h ASN 97 N 0.06 0.00 -0.57 0.57 4.21 -1.71 -2.58 115.58 115.56 1rq4 h ASN 97 Ca 0.01 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.51 1rq4 h ASN 97 Cb 0.56 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.73 1rq4 h ASN 97 CO 0.04 0.14 0.35 -0.26 -1.29 0.00 0.00 177.43 176.40 1rq4 h PHE 98 N 0.00 0.75 -0.42 1.19 -1.00 -1.68 -0.49 116.94 115.29 1rq4 h PHE 98 Ca -0.00 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.68 1rq4 h PHE 98 Cb 0.30 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 39.60 1rq4 h PHE 98 CO 0.00 0.51 -0.16 0.87 -1.61 0.00 0.00 178.31 177.91 1rq4 h LYS 99 N 0.79 0.78 -0.45 1.51 1.57 -1.64 -0.84 116.57 118.30 1rq4 h LYS 99 Ca 0.21 -0.29 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 1rq4 h LYS 99 Cb -0.03 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1rq4 h LYS 99 CO -0.04 0.89 0.08 -0.07 -0.57 0.00 0.00 179.45 179.74 1rq4 h LEU 100 N 0.70 0.71 -0.53 2.94 3.38 -1.14 -0.42 115.31 120.94 1rq4 h LEU 100 Ca 0.11 -0.26 -0.16 0.00 0.09 0.00 0.00 57.88 57.66 1rq4 h LEU 100 Cb 0.66 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1rq4 h LEU 100 CO 0.05 0.79 -0.51 0.25 0.09 0.00 0.00 178.44 179.11 1rq4 h LEU 101 N 0.61 0.67 -0.39 1.67 5.85 -1.24 -2.79 115.31 119.69 1rq4 h LEU 101 Ca 0.14 -0.34 0.03 0.00 0.84 0.00 0.00 57.88 58.55 1rq4 h LEU 101 Cb 0.38 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1rq4 h LEU 101 CO 0.01 1.05 0.18 0.28 -0.34 0.00 0.00 178.44 179.62 1rq4 h SER 102 N 0.48 0.24 -0.85 1.25 0.02 -0.79 -0.93 113.55 112.97 1rq4 h SER 102 Ca 0.02 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1rq4 h SER 102 Cb 1.05 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.53 1rq4 h SER 102 CO 0.10 0.18 0.48 -0.74 -1.14 0.00 0.00 176.83 175.70 1rq4 h HIS 103 N 0.36 1.17 0.00 3.45 -0.00 -1.04 -1.53 115.15 117.57 1rq4 h HIS 103 Ca 0.17 -0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.45 1rq4 h HIS 103 Cb 0.10 -0.37 -0.01 0.00 -0.00 0.00 0.00 27.41 27.12 1rq4 h HIS 103 CO -0.11 0.81 -0.30 0.00 -0.00 0.00 0.00 177.93 178.32 1rq4 h LEU 105 N 0.00 0.63 -0.79 0.00 -0.00 -0.68 -1.83 115.31 112.65 1rq4 h LEU 105 Ca -0.00 -0.53 0.03 0.00 -0.00 0.00 0.00 57.88 57.37 1rq4 h LEU 105 Cb 0.65 -0.18 -0.05 0.00 -0.00 0.00 0.00 40.66 41.08 1rq4 h LEU 105 CO 0.04 1.04 0.51 -0.07 -0.00 0.00 0.00 178.44 179.96 1rq4 h LEU 106 N 0.24 0.85 -0.75 1.67 3.38 -0.44 0.03 115.31 120.28 1rq4 h LEU 106 Ca 0.01 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1rq4 h LEU 106 Cb 0.92 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1rq4 h LEU 106 CO 0.08 0.59 0.09 0.58 0.09 0.00 0.00 178.44 179.87 1rq4 h VAL 107 N 1.00 1.26 -0.60 1.22 2.07 -1.09 -0.79 116.25 119.32 1rq4 h VAL 107 Ca 0.31 -1.02 -0.08 0.00 0.82 0.00 0.00 66.70 66.73 1rq4 h VAL 107 Cb -0.02 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1rq4 h VAL 107 CO -0.10 0.38 0.07 0.74 0.02 0.00 0.00 177.57 178.68 1rq4 h THR 108 N 0.98 1.26 -0.27 2.57 2.02 -0.56 -1.32 112.91 117.58 1rq4 h THR 108 Ca 0.19 -1.04 -0.10 0.00 0.77 0.00 0.00 66.41 66.23 1rq4 h THR 108 Cb 0.43 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1rq4 h THR 108 CO 0.01 0.38 -0.23 -0.07 0.37 0.00 0.00 175.52 175.99 1rq4 h LEU 109 N 0.92 0.67 -1.04 2.58 3.38 -0.79 -2.12 115.31 118.91 1rq4 h LEU 109 Ca 0.18 -0.46 0.07 0.00 0.09 0.00 0.00 57.88 57.76 1rq4 h LEU 109 Cb 0.46 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 1rq4 h LEU 109 CO 0.02 0.98 0.64 0.00 0.09 0.00 0.00 178.44 180.17 1rq4 h ALA 110 N 0.70 1.43 -0.31 1.53 0.00 -1.01 0.07 119.26 121.67 1rq4 h ALA 110 Ca 0.05 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1rq4 h ALA 110 Cb 0.78 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1rq4 h ALA 110 CO 0.06 0.42 -0.30 0.00 0.00 0.00 0.00 179.25 179.43 1rq4 h ALA 111 N 1.47 0.89 0.00 0.00 0.00 -1.03 -3.25 119.26 117.34 1rq4 h ALA 111 Ca 0.43 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1rq4 h ALA 111 Cb 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1rq4 h ALA 111 CO -0.17 0.63 -0.89 0.72 0.00 0.00 0.00 179.25 179.53 1rq4 n HIS 112 N -4.08 0.15 -3.18 0.00 -0.00 -0.81 -4.63 115.22 102.66 1rq4 n HIS 112 Ca -0.01 0.04 -0.21 0.00 -0.00 0.00 0.00 57.72 57.55 1rq4 n HIS 112 Cb 0.46 -0.31 -0.05 0.00 -0.00 0.00 0.00 29.99 30.10 1rq4 n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1rq4 n LEU 113 N -1.76 0.88 -0.15 2.41 4.77 -0.04 -4.95 117.00 118.16 1rq4 n LEU 113 Ca 0.03 -4.94 0.08 0.00 -0.03 0.00 0.00 56.01 51.15 1rq4 n LEU 113 Cb 0.39 0.58 0.40 0.00 -2.33 0.00 0.00 43.42 42.46 1rq4 n LEU 113 CO 0.39 2.21 1.20 -0.65 -1.33 0.00 0.00 177.39 179.21 1rq4 h PRO 114 N 3.40 0.62 0.06 3.23 0.11 -1.80 -1.74 132.00 135.88 1rq4 h PRO 114 Ca 0.09 -0.04 -0.27 0.00 0.11 0.00 0.00 66.00 65.89 1rq4 h PRO 114 Cb 0.90 -0.14 0.02 0.00 0.11 0.00 0.00 31.00 31.89 1rq4 h PRO 114 CO 0.51 0.41 -1.13 0.00 -0.21 0.00 0.00 178.00 177.58 1rq4 h ALA 115 N 1.64 0.11 0.00 -0.75 0.00 -1.92 -3.32 119.26 115.03 1rq4 h ALA 115 Ca 0.30 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1rq4 h ALA 115 Cb 0.35 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1rq4 h ALA 115 CO -0.10 0.73 0.00 0.93 0.00 0.00 0.00 179.25 180.81 1rq4 h GLU 116 N 0.29 0.00 -3.23 0.00 3.07 -1.86 -3.39 114.58 109.46 1rq4 h GLU 116 Ca -0.15 0.00 -0.73 0.00 -0.50 0.00 0.00 59.36 57.99 1rq4 h GLU 116 Cb 1.79 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 29.61 1rq4 h GLU 116 CO 0.21 0.00 2.69 0.34 -1.40 0.00 0.00 179.01 180.85 1rq4 n PHE 117 N -3.04 2.84 -1.68 4.33 7.35 -0.70 -4.81 117.46 121.75 1rq4 n PHE 117 Ca 0.04 -2.89 -0.29 0.00 -0.76 0.00 0.00 57.45 53.55 1rq4 n PHE 117 Cb 0.51 -2.13 0.12 0.00 0.35 0.00 0.00 39.48 38.33 1rq4 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1rq4 s THR 118 N 0.76 2.05 0.36 -2.13 -4.23 -1.26 -4.76 115.64 106.43 1rq4 s THR 118 Ca 0.51 0.02 0.06 0.00 -1.18 0.00 0.00 61.69 61.09 1rq4 s THR 118 Cb 0.15 -2.87 0.19 0.00 1.34 0.00 0.00 72.50 71.30 1rq4 s THR 118 CO -0.05 -0.02 1.93 -0.65 -0.54 0.00 0.00 174.62 175.28 1rq4 h PRO 119 N -1.30 0.49 -0.22 3.99 0.11 -1.98 0.32 132.00 133.40 1rq4 h PRO 119 Ca -0.49 -0.08 -0.17 0.00 0.11 0.00 0.00 66.00 65.37 1rq4 h PRO 119 Cb 1.33 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1rq4 h PRO 119 CO 0.64 0.48 -0.57 0.00 -0.21 0.00 0.00 178.00 178.34 1rq4 h ALA 120 N 1.58 0.60 -0.25 -0.75 0.00 -1.97 -1.86 119.26 116.60 1rq4 h ALA 120 Ca 0.11 -0.52 -0.18 0.00 0.00 0.00 0.00 54.91 54.32 1rq4 h ALA 120 Cb 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1rq4 h ALA 120 CO 0.00 0.69 -0.53 0.28 0.00 0.00 0.00 179.25 179.70 1rq4 h VAL 121 N 0.51 1.29 0.18 0.00 2.07 -1.79 -1.92 116.25 116.58 1rq4 h VAL 121 Ca 0.01 -1.72 0.01 0.00 0.82 0.00 0.00 66.70 65.82 1rq4 h VAL 121 Cb 1.14 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 32.59 1rq4 h VAL 121 CO 0.11 0.55 -0.44 -0.74 0.02 0.00 0.00 177.57 177.08 1rq4 h HIS 122 N 0.56 -1.23 -0.69 1.57 6.17 -0.34 -0.85 115.15 120.33 1rq4 h HIS 122 Ca 0.01 0.03 0.15 0.00 0.71 0.00 0.00 60.37 61.26 1rq4 h HIS 122 Cb 1.14 0.52 -0.11 0.00 2.52 0.00 0.00 27.41 31.47 1rq4 h HIS 122 CO 0.08 -0.54 0.10 0.00 0.71 0.00 0.00 177.93 178.28 1rq4 h ALA 123 N -0.30 0.82 -0.43 5.26 0.00 -1.28 -1.30 119.26 122.03 1rq4 h ALA 123 Ca 0.01 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1rq4 h ALA 123 Cb 0.71 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1rq4 h ALA 123 CO -0.22 -0.36 0.04 0.77 0.00 0.00 0.00 179.25 179.48 1rq4 h SER 124 N 0.20 0.71 -0.72 0.00 0.02 -0.93 -2.36 113.55 110.47 1rq4 h SER 124 Ca 0.38 -0.28 -0.06 0.00 -0.84 0.00 0.00 61.79 60.99 1rq4 h SER 124 Cb 0.64 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 1rq4 h SER 124 CO -0.53 0.81 0.22 -0.07 -1.14 0.00 0.00 176.83 176.12 1rq4 h LEU 125 N 0.58 1.06 0.13 5.07 3.38 -0.64 -1.15 115.31 123.73 1rq4 h LEU 125 Ca 0.13 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1rq4 h LEU 125 Cb 0.43 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1rq4 h LEU 125 CO 0.01 0.99 -0.06 -0.78 0.09 0.00 0.00 178.44 178.69 1rq4 h ASP 126 N 1.07 -0.15 -0.97 -0.43 3.58 -1.15 0.25 116.42 118.62 1rq4 h ASP 126 Ca 0.23 -0.05 0.10 0.00 0.42 0.00 0.00 57.03 57.73 1rq4 h ASP 126 Cb 0.32 0.04 -0.07 0.00 1.72 0.00 0.00 39.33 41.33 1rq4 h ASP 126 CO -0.01 -0.04 0.62 0.11 -2.88 0.00 0.00 179.24 177.04 1rq4 h LYS 127 N -0.24 0.97 -0.10 0.28 1.57 -1.33 -0.50 116.57 117.22 1rq4 h LYS 127 Ca -0.02 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1rq4 h LYS 127 Cb 0.19 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1rq4 h LYS 127 CO 0.03 0.64 0.00 0.35 -0.57 0.00 0.00 179.45 179.91 1rq4 h PHE 128 N 1.00 0.19 -0.25 -1.35 3.57 -0.85 -0.26 116.94 118.99 1rq4 h PHE 128 Ca 0.46 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.89 1rq4 h PHE 128 Cb 0.40 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1rq4 h PHE 128 CO -0.00 0.42 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.41 1rq4 h LEU 129 N -0.09 0.36 -0.64 0.59 3.38 -0.41 -0.39 115.31 118.10 1rq4 h LEU 129 Ca 0.03 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 1rq4 h LEU 129 Cb 0.34 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1rq4 h LEU 129 CO 0.00 0.43 -0.42 0.00 0.09 0.00 0.00 178.44 178.54 1rq4 h ALA 130 N 1.61 0.82 -0.49 1.53 0.00 -0.95 -1.99 119.26 119.80 1rq4 h ALA 130 Ca 0.08 -0.45 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 1rq4 h ALA 130 Cb 0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1rq4 h ALA 130 CO 0.01 0.65 -0.18 0.77 0.00 0.00 0.00 179.25 180.50 1rq4 h SER 131 N 0.47 0.98 -0.82 0.00 0.02 -0.19 -1.35 113.55 112.65 1rq4 h SER 131 Ca 0.04 -0.35 -0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1rq4 h SER 131 Cb 0.93 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 63.17 1rq4 h SER 131 CO 0.08 1.13 0.51 0.58 -1.14 0.00 0.00 176.83 177.99 1rq4 h VAL 132 N 0.84 1.22 -0.47 2.27 2.07 -0.90 -2.14 116.25 119.15 1rq4 h VAL 132 Ca 0.12 -0.47 -0.07 0.00 0.82 0.00 0.00 66.70 67.10 1rq4 h VAL 132 Cb 0.74 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1rq4 h VAL 132 CO 0.06 0.23 0.01 0.28 0.02 0.00 0.00 177.57 178.17 1rq4 h SER 133 N 1.13 0.80 -0.33 0.57 0.02 -1.07 -0.51 113.55 114.15 1rq4 h SER 133 Ca 0.30 -0.30 0.04 0.00 -0.84 0.00 0.00 61.79 60.98 1rq4 h SER 133 Cb -0.07 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.22 1rq4 h SER 133 CO -0.06 0.90 0.12 0.74 -1.14 0.00 0.00 176.83 177.39 1rq4 h THR 134 N 0.67 0.91 -0.54 -2.27 2.02 -1.12 -1.71 112.91 110.87 1rq4 h THR 134 Ca 0.13 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 1rq4 h THR 134 Cb 0.49 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 1rq4 h THR 134 CO 0.02 0.05 0.30 0.58 0.37 0.00 0.00 175.52 176.84 1rq4 h VAL 135 N 0.26 1.18 0.00 3.16 2.07 -0.92 -2.10 116.25 119.90 1rq4 h VAL 135 Ca 0.15 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1rq4 h VAL 135 Cb 0.12 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1rq4 h VAL 135 CO -0.15 0.19 -0.11 -0.07 0.02 0.00 0.00 177.57 177.44 1rq4 h LEU 136 N 0.72 0.00 -2.91 2.57 3.38 -0.50 -2.69 115.31 115.88 1rq4 h LEU 136 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1rq4 h LEU 136 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1rq4 h LEU 136 CO -0.03 0.11 0.00 0.35 0.09 0.00 0.00 178.44 178.96 1rq4 n THR 137 N -3.44 1.25 0.24 0.22 -2.24 -0.70 -4.46 114.28 105.15 1rq4 n THR 137 Ca -0.01 -1.10 0.12 0.00 -2.27 0.00 0.00 64.05 60.78 1rq4 n THR 137 Cb 0.28 0.38 0.57 0.00 -2.10 0.00 0.00 70.33 69.45 1rq4 n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1rq4 h SER 138 N 3.16 0.00 -0.29 3.42 4.64 -1.03 -3.13 113.55 120.33 1rq4 h SER 138 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1rq4 h SER 138 Cb 1.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 1rq4 h SER 138 CO 0.06 0.17 0.00 0.29 -0.87 0.00 0.00 176.83 176.48 1rq4 n LYS 139 N -3.41 2.98 0.21 4.77 5.02 -1.26 -4.65 118.16 121.81 1rq4 n LYS 139 Ca -0.00 -2.88 0.04 0.00 -2.02 0.00 0.00 58.31 53.45 1rq4 n LYS 139 Cb 0.36 -1.87 0.44 0.00 -0.02 0.00 0.00 35.03 33.93 1rq4 n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1rq4 h TYR 140 N 1.88 0.00 0.00 2.13 -1.99 -1.88 -3.46 116.97 113.65 1rq4 h TYR 140 Ca 0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1rq4 h TYR 140 Cb 1.50 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.23 1rq4 h TYR 140 CO 0.56 0.28 0.00 2.89 -0.00 0.00 0.00 178.16 181.89