#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ri4 s LEU 3 N 0.00 -0.89 0.91 4.03 2.01 -1.26 -4.98 118.68 118.51 2ri4 s LEU 3 Ca 0.00 -0.06 -0.11 0.00 0.01 0.00 0.00 54.13 53.97 2ri4 s LEU 3 Cb 0.00 1.30 0.14 0.00 0.01 0.00 0.00 46.19 47.64 2ri4 s LEU 3 CO 0.00 -0.33 1.10 0.28 1.01 0.00 0.00 176.35 178.41 2ri4 s THR 4 N 2.60 2.51 0.28 5.49 -1.32 -1.26 -4.84 115.64 119.10 2ri4 s THR 4 Ca 0.11 0.17 -0.03 0.00 -1.21 0.00 0.00 61.69 60.73 2ri4 s THR 4 Cb -0.13 -2.42 0.24 0.00 -1.51 0.00 0.00 72.50 68.68 2ri4 s THR 4 CO -0.25 -0.22 1.94 0.00 -2.21 0.00 0.00 174.62 173.88 2ri4 h ALA 5 N -1.73 1.34 -0.56 11.08 0.00 -2.02 -0.42 119.26 126.95 2ri4 h ALA 5 Ca -0.48 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.27 2ri4 h ALA 5 Cb 1.27 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2ri4 h ALA 5 CO 0.48 0.57 0.02 0.93 0.00 0.00 0.00 179.25 181.26 2ri4 h GLU 6 N 1.13 0.94 0.00 0.00 5.08 -2.02 -2.37 114.58 117.34 2ri4 h GLU 6 Ca 0.30 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2ri4 h GLU 6 Cb -0.07 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.08 2ri4 h GLU 6 CO -0.06 0.92 0.00 1.49 -1.00 0.00 0.00 179.01 180.36 2ri4 h GLU 7 N 0.88 0.00 0.03 2.33 4.81 -1.76 -3.29 114.58 117.57 2ri4 h GLU 7 Ca 0.17 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 59.10 2ri4 h GLU 7 Cb 0.49 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.83 2ri4 h GLU 7 CO 0.02 0.00 -1.67 -0.22 -0.73 0.00 0.00 179.01 176.42 2ri4 h LYS 8 N 0.00 0.07 0.00 1.92 3.64 -0.55 -3.35 116.57 118.30 2ri4 h LYS 8 Ca 0.00 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2ri4 h LYS 8 Cb 0.39 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2ri4 h LYS 8 CO 0.00 0.73 0.00 0.00 -2.27 0.00 0.00 179.45 177.91 2ri4 n ALA 9 N -2.62 0.00 0.00 5.00 0.00 -1.17 -1.58 120.51 120.14 2ri4 n ALA 9 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2ri4 n ALA 9 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.49 2ri4 n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ri4 n ALA 10 N -3.00 0.00 0.23 0.00 0.00 -1.26 0.41 120.51 116.89 2ri4 n ALA 10 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2ri4 n ALA 10 Cb 0.00 0.00 0.39 0.00 0.00 0.00 0.00 19.45 19.84 2ri4 n ALA 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2ri4 h VAL 11 N 0.00 0.25 0.10 0.00 2.07 -1.70 0.38 116.25 117.35 2ri4 h VAL 11 Ca 0.00 -1.03 -0.32 0.00 0.82 0.00 0.00 66.70 66.17 2ri4 h VAL 11 Cb 0.00 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 2ri4 h VAL 11 CO 0.00 0.12 -1.72 0.00 0.02 0.00 0.00 177.57 175.98 2ri4 h THR 12 N 0.00 0.91 0.00 2.57 1.03 0.92 -3.10 112.91 115.24 2ri4 h THR 12 Ca -0.00 -2.62 0.00 0.00 -0.01 0.00 0.00 66.41 63.78 2ri4 h THR 12 Cb 0.83 2.61 0.00 0.00 -1.07 0.00 0.00 68.15 70.52 2ri4 h THR 12 CO 0.02 0.77 0.00 0.61 -0.01 0.00 0.00 175.52 176.91 2ri4 n GLY 13 N 1.75 -1.68 0.11 2.99 0.00 0.61 -3.05 105.19 105.92 2ri4 n GLY 13 Ca -0.22 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.84 2ri4 n GLY 13 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2ri4 n PHE 14 N -0.83 0.16 0.22 1.61 7.35 0.13 -1.23 117.46 124.87 2ri4 n PHE 14 Ca 0.00 0.39 0.03 0.00 -0.76 0.00 0.00 57.45 57.11 2ri4 n PHE 14 Cb 0.00 -0.72 0.13 0.00 0.35 0.00 0.00 39.48 39.25 2ri4 n PHE 14 CO 0.00 0.00 0.00 1.87 -0.76 0.00 0.00 176.76 177.87 2ri4 n TRP 15 N -4.38 0.00 -0.66 -5.13 -0.00 -1.17 0.07 117.44 106.16 2ri4 n TRP 15 Ca 0.06 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.65 2ri4 n TRP 15 Cb 0.21 -0.49 0.29 0.00 -0.00 0.00 0.00 31.31 31.32 2ri4 n TRP 15 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2ri4 n GLY 16 N -0.86 3.15 0.04 5.87 0.00 -0.36 -3.54 105.19 109.49 2ri4 n GLY 16 Ca 0.02 -0.81 0.10 0.00 0.00 0.00 0.00 46.02 45.32 2ri4 n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ri4 n LYS 17 N 0.49 0.11 -2.77 1.61 5.02 0.11 -5.02 118.16 117.71 2ri4 n LYS 17 Ca 0.22 -0.09 -0.35 0.00 -2.02 0.00 0.00 58.31 56.07 2ri4 n LYS 17 Cb 0.82 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.27 2ri4 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2ri4 s VAL 18 N -2.95 4.24 -0.86 -0.18 1.01 -1.23 -4.93 120.40 115.50 2ri4 s VAL 18 Ca 0.09 1.59 -0.05 0.00 0.00 0.00 0.00 61.98 63.61 2ri4 s VAL 18 Cb 0.16 -3.76 0.06 0.00 0.00 0.00 0.00 36.38 32.84 2ri4 s VAL 18 CO 0.83 -0.11 2.68 0.29 0.00 0.00 0.00 175.10 178.78 2ri4 n LYS 19 N -0.15 3.40 0.00 2.72 4.01 -1.26 -4.83 118.16 122.05 2ri4 n LYS 19 Ca 0.05 -2.73 0.00 0.00 -0.51 0.00 0.00 58.31 55.12 2ri4 n LYS 19 Cb 0.52 -2.38 0.00 0.00 -0.51 0.00 0.00 35.03 32.66 2ri4 n LYS 19 CO 0.00 0.00 0.00 1.55 -1.11 0.00 0.00 177.40 177.84 2ri4 n VAL 20 N 1.49 0.00 -0.05 -0.18 3.14 -1.26 0.66 118.33 122.14 2ri4 n VAL 20 Ca 0.56 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.80 2ri4 n VAL 20 Cb 0.43 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 33.13 2ri4 n VAL 20 CO 0.00 0.00 0.00 -2.24 -6.46 0.00 0.00 176.83 168.13 2ri4 h ASP 21 N 0.00 0.39 0.00 6.55 2.03 -1.90 0.38 116.42 123.87 2ri4 h ASP 21 Ca 0.00 -0.54 0.00 0.00 -0.73 0.00 0.00 57.03 55.76 2ri4 h ASP 21 Cb 0.00 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 38.39 2ri4 h ASP 21 CO 0.00 0.86 0.00 -0.62 -1.03 0.00 0.00 179.24 178.45 2ri4 n GLU 22 N -4.50 0.00 0.00 4.15 1.02 0.21 -1.76 120.64 119.76 2ri4 n GLU 22 Ca -0.07 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2ri4 n GLU 22 Cb 0.42 -1.04 0.00 0.00 -0.02 0.00 0.00 31.44 30.80 2ri4 n GLU 22 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2ri4 n VAL 23 N -0.73 0.00 0.40 2.62 0.31 -1.15 -0.40 118.33 119.38 2ri4 n VAL 23 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.14 2ri4 n VAL 23 Cb 0.00 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.83 2ri4 n VAL 23 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2ri4 h GLY 24 N 0.00 -1.24 -0.36 2.92 0.00 -0.79 0.36 103.07 103.96 2ri4 h GLY 24 Ca 0.00 0.51 0.22 0.00 0.00 0.00 0.00 47.33 48.06 2ri4 h GLY 24 CO 0.00 -0.43 0.25 0.00 0.00 0.00 0.00 176.54 176.37 2ri4 h ALA 25 N -0.98 1.26 0.04 3.60 0.00 0.12 -1.90 119.26 121.40 2ri4 h ALA 25 Ca -0.10 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2ri4 h ALA 25 Cb 0.91 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2ri4 h ALA 25 CO 0.09 -0.43 -0.02 1.49 0.00 0.00 0.00 179.25 180.38 2ri4 h GLU 26 N 0.25 -0.05 -0.95 0.00 4.81 -0.35 -2.71 114.58 115.58 2ri4 h GLU 26 Ca 0.54 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.96 2ri4 h GLU 26 Cb 1.05 0.01 -0.18 0.00 0.63 0.00 0.00 28.75 30.26 2ri4 h GLU 26 CO -0.62 0.30 -0.24 0.00 -0.73 0.00 0.00 179.01 177.73 2ri4 h ALA 27 N 0.52 0.63 0.01 2.92 0.00 0.49 -1.67 119.26 122.16 2ri4 h ALA 27 Ca -0.01 0.37 -0.20 0.00 0.00 0.00 0.00 54.91 55.08 2ri4 h ALA 27 Cb 0.38 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2ri4 h ALA 27 CO 0.01 -0.39 -0.90 1.25 0.00 0.00 0.00 179.25 179.22 2ri4 h LEU 28 N 0.00 0.18 0.39 0.00 7.12 -1.30 0.66 115.31 122.35 2ri4 h LEU 28 Ca 0.46 -0.15 -0.02 0.00 0.13 0.00 0.00 57.88 58.30 2ri4 h LEU 28 Cb 0.69 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.77 2ri4 h LEU 28 CO -0.98 0.99 -0.19 1.23 -0.13 0.00 0.00 178.44 179.36 2ri4 h GLY 29 N 2.10 -0.54 -0.37 3.75 0.00 -1.07 -2.32 103.07 104.62 2ri4 h GLY 29 Ca -0.04 0.20 0.04 0.00 0.00 0.00 0.00 47.33 47.54 2ri4 h GLY 29 CO 0.13 -0.20 -0.46 3.21 0.00 0.00 0.00 176.54 179.22 2ri4 h ARG 30 N -0.88 -0.29 -0.88 4.80 3.08 -1.05 0.34 114.38 119.49 2ri4 h ARG 30 Ca -0.05 0.02 0.25 0.00 0.07 0.00 0.00 59.98 60.26 2ri4 h ARG 30 Cb 0.55 0.07 -0.16 0.00 0.08 0.00 0.00 29.97 30.50 2ri4 h ARG 30 CO 0.09 -0.20 0.03 -0.11 -1.07 0.00 0.00 179.97 178.71 2ri4 n LEU 31 N -4.88 -0.09 0.09 3.04 7.94 0.23 0.73 117.00 124.05 2ri4 n LEU 31 Ca -0.03 1.50 -0.21 0.00 -1.11 0.00 0.00 56.01 56.16 2ri4 n LEU 31 Cb 0.27 -0.55 -0.12 0.00 0.53 0.00 0.00 43.42 43.55 2ri4 n LEU 31 CO -0.00 -1.52 -0.04 -0.07 -1.11 0.00 0.00 177.39 174.65 2ri4 h LEU 32 N 0.00 0.83 0.19 -1.96 3.38 -0.57 0.16 115.31 117.34 2ri4 h LEU 32 Ca 0.54 -0.76 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2ri4 h LEU 32 Cb 1.12 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2ri4 h LEU 32 CO -0.83 1.56 -0.09 0.58 0.09 0.00 0.00 178.44 179.75 2ri4 h VAL 33 N 0.27 0.54 -0.51 1.22 2.07 0.97 -3.10 116.25 117.70 2ri4 h VAL 33 Ca -0.17 -1.04 0.09 0.00 0.82 0.00 0.00 66.70 66.40 2ri4 h VAL 33 Cb 1.88 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.55 2ri4 h VAL 33 CO 0.23 0.15 0.35 0.58 0.02 0.00 0.00 177.57 178.90 2ri4 h VAL 34 N -0.97 0.89 -2.18 2.57 2.07 0.18 -3.30 116.25 115.51 2ri4 h VAL 34 Ca -0.03 -0.10 -0.59 0.00 0.82 0.00 0.00 66.70 66.81 2ri4 h VAL 34 Cb 0.44 0.56 -0.41 0.00 -1.52 0.00 0.00 31.29 30.37 2ri4 h VAL 34 CO 0.04 0.05 -0.80 -1.22 0.02 0.00 0.00 177.57 175.66 2ri4 n TYR 35 N -4.46 1.90 -0.33 1.57 4.01 0.04 -4.99 117.16 114.89 2ri4 n TYR 35 Ca 0.08 -3.90 0.36 0.00 -0.16 0.00 0.00 57.90 54.28 2ri4 n TYR 35 Cb 0.37 -0.45 0.70 0.00 -0.31 0.00 0.00 39.34 39.66 2ri4 n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2ri4 h PRO 36 N 4.25 0.00 0.00 -0.72 0.11 -1.62 -0.51 132.00 133.51 2ri4 h PRO 36 Ca 0.15 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.21 2ri4 h PRO 36 Cb 0.76 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.86 2ri4 h PRO 36 CO 0.67 0.00 -0.24 0.11 -0.21 0.00 0.00 178.00 178.33 2ri4 h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.93 -1.75 115.95 113.01 2ri4 h TRP 37 Ca 0.59 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.57 2ri4 h TRP 37 Cb 2.61 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.85 2ri4 h TRP 37 CO 0.00 0.24 0.11 1.79 0.09 0.00 0.00 178.44 180.67 2ri4 h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.39 -0.58 112.91 112.41 2ri4 h THR 38 Ca -0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.83 2ri4 h THR 38 Cb 0.81 0.71 -0.00 0.00 -1.73 0.00 0.00 68.15 67.93 2ri4 h THR 38 CO 0.03 0.00 -0.11 1.56 -0.25 0.00 0.00 175.52 176.75 2ri4 h GLN 39 N 0.00 0.00 0.00 4.72 4.20 -1.51 -3.22 115.11 119.30 2ri4 h GLN 39 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2ri4 h GLN 39 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2ri4 h GLN 39 CO 0.00 0.11 0.00 0.54 -0.67 0.00 0.00 178.83 178.81 2ri4 n ARG 40 N -3.75 0.00 0.01 1.46 1.74 -0.22 -1.38 116.66 114.51 2ri4 n ARG 40 Ca -0.02 0.41 0.00 0.00 -0.77 0.00 0.00 57.85 57.47 2ri4 n ARG 40 Cb 0.22 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 2ri4 n ARG 40 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2ri4 n PHE 41 N -1.50 0.00 -2.64 -1.55 3.01 -1.21 0.48 117.46 114.04 2ri4 n PHE 41 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.27 2ri4 n PHE 41 Cb 0.00 -0.01 0.01 0.00 -0.01 0.00 0.00 39.48 39.46 2ri4 n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2ri4 n PHE 42 N -1.04 2.29 0.04 1.38 3.72 -0.48 -4.83 117.46 118.54 2ri4 n PHE 42 Ca -0.00 -3.10 -0.08 0.00 -0.05 0.00 0.00 57.45 54.22 2ri4 n PHE 42 Cb 0.50 -0.26 0.08 0.00 -0.94 0.00 0.00 39.48 38.85 2ri4 n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2ri4 h GLU 43 N 2.82 0.42 0.00 -1.08 5.08 0.31 -3.27 114.58 118.86 2ri4 h GLU 43 Ca 0.11 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2ri4 h GLU 43 Cb 1.00 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2ri4 h GLU 43 CO 0.68 0.89 0.00 1.12 -1.00 0.00 0.00 179.01 180.70 2ri4 h HIS 44 N 0.32 0.00 0.00 4.33 2.07 -1.88 -2.84 115.15 117.14 2ri4 h HIS 44 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2ri4 h HIS 44 Cb 1.12 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.10 2ri4 h HIS 44 CO 0.04 0.00 0.00 1.19 -3.07 0.00 0.00 177.93 176.09 2ri4 n PHE 45 N -3.00 0.00 -1.15 6.12 3.01 -1.23 -4.93 117.46 116.28 2ri4 n PHE 45 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 2ri4 n PHE 45 Cb 0.12 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 2ri4 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2ri4 n GLY 46 N 0.23 0.30 3.71 1.37 0.00 -1.08 -4.86 105.19 104.87 2ri4 n GLY 46 Ca 0.00 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 2ri4 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ri4 s ASP 47 N -4.00 7.06 -0.06 1.61 2.15 -1.26 -4.92 116.67 117.25 2ri4 s ASP 47 Ca 0.00 2.04 0.23 0.00 0.43 0.00 0.00 52.55 55.24 2ri4 s ASP 47 Cb 0.00 -2.58 0.43 0.00 -0.30 0.00 0.00 42.92 40.48 2ri4 s ASP 47 CO 0.00 -0.48 1.18 0.18 -0.17 0.00 0.00 175.17 175.87 2ri4 n LEU 48 N 3.93 1.44 0.05 -1.34 4.77 -1.26 -4.45 117.00 120.13 2ri4 n LEU 48 Ca 0.09 -2.49 0.21 0.00 -0.03 0.00 0.00 56.01 53.79 2ri4 n LEU 48 Cb 0.46 -0.07 0.73 0.00 -2.33 0.00 0.00 43.42 42.21 2ri4 n LEU 48 CO 0.56 0.74 1.18 0.28 -1.33 0.00 0.00 177.39 178.82 2ri4 h SER 49 N 1.14 0.00 -5.42 -1.43 0.02 -1.95 -3.45 113.55 102.45 2ri4 h SER 49 Ca -0.17 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.63 2ri4 h SER 49 Cb 1.68 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 64.10 2ri4 h SER 49 CO 0.10 0.00 -0.36 -0.94 -1.14 0.00 0.00 176.83 174.49 2ri4 s SER 50 N -5.78 0.06 0.07 3.07 1.04 -1.26 -5.06 113.70 105.84 2ri4 s SER 50 Ca -0.05 -1.17 -0.29 0.00 0.48 0.00 0.00 55.95 54.93 2ri4 s SER 50 Cb 0.18 0.49 -0.13 0.00 0.10 0.00 0.00 66.02 66.65 2ri4 s SER 50 CO 0.64 -1.00 1.45 0.00 0.98 0.00 0.00 173.24 175.31 2ri4 h ALA 51 N 2.42 -1.04 -0.21 5.32 0.00 -2.00 -3.00 119.26 120.77 2ri4 h ALA 51 Ca -0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2ri4 h ALA 51 Cb 1.25 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 2ri4 h ALA 51 CO 0.44 -1.08 0.07 -0.44 0.00 0.00 0.00 179.25 178.24 2ri4 h ASP 52 N -0.76 0.29 -0.54 0.00 3.32 -1.98 -2.49 116.42 114.26 2ri4 h ASP 52 Ca -0.04 -0.18 0.11 0.00 0.02 0.00 0.00 57.03 56.93 2ri4 h ASP 52 Cb 0.68 -0.08 -0.10 0.00 0.22 0.00 0.00 39.33 40.05 2ri4 h ASP 52 CO -0.10 0.40 -0.15 0.00 -1.72 0.00 0.00 179.24 177.67 2ri4 h ALA 53 N 0.90 0.34 -0.36 3.45 0.00 -1.93 0.29 119.26 121.95 2ri4 h ALA 53 Ca 0.07 0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.24 2ri4 h ALA 53 Cb 0.20 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2ri4 h ALA 53 CO -0.00 -0.45 0.24 0.28 0.00 0.00 0.00 179.25 179.32 2ri4 h VAL 54 N -0.01 0.95 0.11 0.00 2.07 -1.32 -1.20 116.25 116.84 2ri4 h VAL 54 Ca 0.26 -0.08 -0.14 0.00 0.82 0.00 0.00 66.70 67.55 2ri4 h VAL 54 Cb 0.41 0.68 0.02 0.00 -1.52 0.00 0.00 31.29 30.88 2ri4 h VAL 54 CO -0.57 0.05 -0.61 0.24 0.02 0.00 0.00 177.57 176.70 2ri4 h MET 55 N 0.25 0.23 -0.70 1.57 2.07 -0.23 -3.33 114.93 114.78 2ri4 h MET 55 Ca 0.16 -0.39 0.00 0.00 -2.07 0.00 0.00 59.70 57.40 2ri4 h MET 55 Cb 0.31 0.14 0.00 0.00 -1.87 0.00 0.00 31.60 30.18 2ri4 h MET 55 CO -0.03 1.18 0.00 0.09 1.07 0.00 0.00 176.91 179.22 2ri4 n ASN 56 N -4.24 3.45 -4.62 1.22 3.02 0.69 -4.72 115.26 110.06 2ri4 n ASN 56 Ca -0.13 -2.44 -0.41 0.00 -0.03 0.00 0.00 54.58 51.58 2ri4 n ASN 56 Cb 0.74 -0.55 -0.06 0.00 -0.61 0.00 0.00 39.78 39.30 2ri4 n ASN 56 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2ri4 s ASN 57 N -0.54 6.56 0.46 6.41 3.84 -0.48 -4.96 114.94 126.22 2ri4 s ASN 57 Ca 0.31 0.61 0.12 0.00 0.21 0.00 0.00 52.86 54.11 2ri4 s ASN 57 Cb 0.22 -2.34 1.06 0.00 -0.55 0.00 0.00 41.25 39.64 2ri4 s ASN 57 CO 0.11 -0.44 2.08 0.00 -2.79 0.00 0.00 177.10 176.06 2ri4 h ALA 58 N 8.02 1.90 0.00 1.71 0.00 -1.90 -1.04 119.26 127.95 2ri4 h ALA 58 Ca -0.26 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.44 2ri4 h ALA 58 Cb 1.12 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2ri4 h ALA 58 CO 0.80 0.06 -0.92 0.87 0.00 0.00 0.00 179.25 180.06 2ri4 h LYS 59 N 0.30 0.00 0.38 0.00 1.57 -1.93 0.69 116.57 117.59 2ri4 h LYS 59 Ca 0.12 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2ri4 h LYS 59 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2ri4 h LYS 59 CO -0.02 0.92 -0.18 0.28 -0.57 0.00 0.00 179.45 179.87 2ri4 h VAL 60 N 0.00 0.62 -0.61 0.50 2.07 -1.52 0.10 116.25 117.42 2ri4 h VAL 60 Ca -0.01 -0.25 0.13 0.00 0.82 0.00 0.00 66.70 67.38 2ri4 h VAL 60 Cb 1.65 0.75 -0.11 0.00 -1.52 0.00 0.00 31.29 32.06 2ri4 h VAL 60 CO 0.12 0.05 -0.04 0.11 0.02 0.00 0.00 177.57 177.83 2ri4 h LYS 61 N -0.66 0.08 0.43 1.57 1.57 -1.28 1.36 116.57 119.64 2ri4 h LYS 61 Ca -0.05 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2ri4 h LYS 61 Cb 0.48 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2ri4 h LYS 61 CO 0.09 0.05 -0.37 0.00 -0.57 0.00 0.00 179.45 178.65 2ri4 h ALA 62 N 1.57 -1.08 -0.75 3.86 0.00 0.53 -1.33 119.26 122.07 2ri4 h ALA 62 Ca 0.31 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.22 2ri4 h ALA 62 Cb 0.50 0.57 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 2ri4 h ALA 62 CO -0.55 -1.09 0.50 1.25 0.00 0.00 0.00 179.25 179.36 2ri4 h HIS 63 N -0.78 0.49 -0.96 0.00 -0.00 -0.27 0.36 115.15 114.00 2ri4 h HIS 63 Ca -0.06 0.01 0.17 0.00 -0.00 0.00 0.00 60.37 60.50 2ri4 h HIS 63 Cb 0.66 -0.16 -0.17 0.00 -0.00 0.00 0.00 27.41 27.74 2ri4 h HIS 63 CO -0.16 0.19 -0.32 0.41 -0.00 0.00 0.00 177.93 178.05 2ri4 n GLY 64 N -1.52 -1.83 0.26 5.26 0.00 0.46 -2.99 105.19 104.84 2ri4 n GLY 64 Ca 0.14 1.06 -0.12 0.00 0.00 0.00 0.00 46.02 47.09 2ri4 n GLY 64 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2ri4 h LYS 65 N 0.00 0.91 -0.17 1.61 1.63 0.83 -3.24 116.57 118.13 2ri4 h LYS 65 Ca 0.39 -0.43 -0.18 0.00 -0.85 0.00 0.00 60.65 59.58 2ri4 h LYS 65 Cb 0.63 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.24 2ri4 h LYS 65 CO -0.97 1.08 -0.62 0.87 -3.45 0.00 0.00 179.45 176.36 2ri4 h LYS 66 N 0.73 0.60 -0.42 1.90 1.57 -1.50 -1.20 116.57 118.25 2ri4 h LYS 66 Ca 0.08 -0.42 -0.04 0.00 -1.87 0.00 0.00 60.65 58.40 2ri4 h LYS 66 Cb 0.85 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 2ri4 h LYS 66 CO 0.07 1.04 0.09 0.28 -0.57 0.00 0.00 179.45 180.36 2ri4 h VAL 67 N 0.44 1.24 -0.13 0.50 2.07 -1.64 0.39 116.25 119.12 2ri4 h VAL 67 Ca -0.01 -0.83 -0.14 0.00 0.82 0.00 0.00 66.70 66.54 2ri4 h VAL 67 Cb 1.19 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 2ri4 h VAL 67 CO 0.12 0.29 -0.52 -0.07 0.02 0.00 0.00 177.57 177.41 2ri4 h LEU 68 N 0.54 0.41 -0.71 2.57 -0.00 -1.61 0.39 115.31 116.90 2ri4 h LEU 68 Ca 0.13 -0.21 0.16 0.00 -0.00 0.00 0.00 57.88 57.95 2ri4 h LEU 68 Cb 0.34 -0.12 -0.11 0.00 -0.00 0.00 0.00 40.66 40.77 2ri4 h LEU 68 CO 0.00 0.86 0.11 0.44 -0.00 0.00 0.00 178.44 179.86 2ri4 h ASP 69 N 0.29 -0.10 0.41 -0.43 3.32 -0.97 -0.23 116.42 118.71 2ri4 h ASP 69 Ca 0.01 0.16 -0.09 0.00 0.02 0.00 0.00 57.03 57.12 2ri4 h ASP 69 Cb 1.01 0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 2ri4 h ASP 69 CO 0.09 -0.08 -0.42 0.28 -1.72 0.00 0.00 179.24 177.39 2ri4 h SER 70 N 0.21 0.02 0.23 6.45 0.02 0.19 -1.02 113.55 119.65 2ri4 h SER 70 Ca 0.40 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.33 2ri4 h SER 70 Cb 0.68 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.21 2ri4 h SER 70 CO -0.54 0.44 -0.11 -0.26 -1.14 0.00 0.00 176.83 175.22 2ri4 h PHE 71 N 0.02 -0.29 -0.70 3.45 -1.00 -1.10 0.81 116.94 118.12 2ri4 h PHE 71 Ca -0.00 -0.01 0.10 0.00 2.81 0.00 0.00 57.97 60.87 2ri4 h PHE 71 Cb 0.76 0.10 -0.12 0.00 3.61 0.00 0.00 35.95 40.29 2ri4 h PHE 71 CO 0.00 0.04 -0.44 0.77 -1.61 0.00 0.00 178.31 177.07 2ri4 h SER 72 N -0.65 -1.53 -0.38 2.17 0.02 -0.73 4.39 113.55 116.84 2ri4 h SER 72 Ca -0.03 0.27 -0.07 0.00 -0.84 0.00 0.00 61.79 61.11 2ri4 h SER 72 Cb 0.46 0.72 -0.02 0.00 0.14 0.00 0.00 62.40 63.70 2ri4 h SER 72 CO 0.05 -0.31 -0.01 -1.13 -1.14 0.00 0.00 176.83 174.29 2ri4 h ASN 73 N -0.16 0.73 -0.76 3.07 -1.24 -1.18 0.41 115.58 116.46 2ri4 h ASN 73 Ca 0.21 -0.17 0.06 0.00 0.71 0.00 0.00 56.30 57.11 2ri4 h ASN 73 Cb 0.55 -0.19 -0.06 0.00 0.73 0.00 0.00 38.32 39.35 2ri4 h ASN 73 CO -0.77 0.80 0.45 1.23 -1.29 0.00 0.00 177.43 177.85 2ri4 h GLY 74 N 0.96 1.12 1.25 1.57 0.00 0.49 -2.75 103.07 105.72 2ri4 h GLY 74 Ca 0.14 -0.32 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 2ri4 h GLY 74 CO 0.02 0.22 0.06 -0.33 0.00 0.00 0.00 176.54 176.51 2ri4 h MET 75 N 0.84 0.92 -0.26 4.80 2.86 1.04 -2.18 114.93 122.94 2ri4 h MET 75 Ca 0.33 -0.24 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 2ri4 h MET 75 Cb 0.16 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2ri4 h MET 75 CO -0.17 0.87 0.02 0.87 1.06 0.00 0.00 176.91 179.56 2ri4 h LYS 76 N 0.86 0.38 -0.44 1.72 1.57 -0.84 -3.26 116.57 116.57 2ri4 h LYS 76 Ca 0.17 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 2ri4 h LYS 76 Cb 0.42 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 2ri4 h LYS 76 CO 0.01 0.39 0.03 0.72 -0.57 0.00 0.00 179.45 180.04 2ri4 n HIS 77 N -4.35 1.56 0.23 -1.35 8.25 -0.82 -4.92 115.22 113.83 2ri4 n HIS 77 Ca 0.01 -0.90 0.05 0.00 -0.26 0.00 0.00 57.72 56.62 2ri4 n HIS 77 Cb 0.19 -0.44 0.26 0.00 1.12 0.00 0.00 29.99 31.12 2ri4 n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2ri4 h LEU 78 N 2.69 0.00 -0.28 2.41 3.38 -1.60 -0.48 115.31 121.44 2ri4 h LEU 78 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2ri4 h LEU 78 Cb 1.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.52 2ri4 h LEU 78 CO 0.40 0.00 -0.36 0.47 0.09 0.00 0.00 178.44 179.04 2ri4 n ASP 79 N -2.20 0.79 -2.62 -0.43 9.92 -1.26 -4.40 116.55 116.34 2ri4 n ASP 79 Ca -0.01 -0.61 -0.11 0.00 -0.53 0.00 0.00 54.79 53.54 2ri4 n ASP 79 Cb 0.60 0.18 0.03 0.00 -0.64 0.00 0.00 41.12 41.29 2ri4 n ASP 79 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2ri4 n ASP 80 N -1.02 2.31 0.00 -2.24 2.03 -0.19 -4.94 116.55 112.50 2ri4 n ASP 80 Ca 0.09 -2.76 0.00 0.00 0.52 0.00 0.00 54.79 52.64 2ri4 n ASP 80 Cb 0.34 -0.49 0.00 0.00 -0.72 0.00 0.00 41.12 40.25 2ri4 n ASP 80 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2ri4 n LEU 81 N -0.34 0.00 0.00 -2.67 4.77 -1.26 -1.62 117.00 115.88 2ri4 n LEU 81 Ca 0.16 0.95 0.00 0.00 -0.03 0.00 0.00 56.01 57.09 2ri4 n LEU 81 Cb 0.80 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 2ri4 n LEU 81 CO 0.23 -0.45 0.00 2.29 -1.33 0.00 0.00 177.39 178.14 2ri4 n LYS 82 N -2.28 0.00 0.04 3.23 2.85 -1.26 -0.21 118.16 120.52 2ri4 n LYS 82 Ca 0.00 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.24 2ri4 n LYS 82 Cb 0.00 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.30 2ri4 n LYS 82 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 2ri4 h GLY 83 N 0.00 0.00 1.78 2.58 0.00 -1.80 -0.35 103.07 105.28 2ri4 h GLY 83 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2ri4 h GLY 83 CO 0.00 0.00 -0.01 -0.84 0.00 0.00 0.00 176.54 175.69 2ri4 h THR 84 N 0.00 1.13 -0.31 4.70 2.02 0.24 -2.98 112.91 117.72 2ri4 h THR 84 Ca -0.16 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.49 2ri4 h THR 84 Cb 1.65 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 2ri4 h THR 84 CO 0.06 0.18 0.00 0.49 0.37 0.00 0.00 175.52 176.61 2ri4 n PHE 85 N -4.36 0.40 0.26 3.16 3.72 0.70 -4.57 117.46 116.77 2ri4 n PHE 85 Ca -0.00 -0.42 0.10 0.00 -0.05 0.00 0.00 57.45 57.08 2ri4 n PHE 85 Cb 0.19 -0.02 0.69 0.00 -0.94 0.00 0.00 39.48 39.40 2ri4 n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2ri4 h ALA 86 N 2.11 1.55 0.17 4.37 0.00 -0.89 0.04 119.26 126.62 2ri4 h ALA 86 Ca 0.00 -0.09 -0.27 0.00 0.00 0.00 0.00 54.91 54.55 2ri4 h ALA 86 Cb 0.70 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.49 2ri4 h ALA 86 CO 0.00 0.13 -1.28 1.96 0.00 0.00 0.00 179.25 180.05 2ri4 h GLN 87 N 0.00 0.36 0.00 0.00 7.50 -1.80 -3.30 115.11 117.87 2ri4 h GLN 87 Ca -0.00 -0.62 0.00 0.00 0.50 0.00 0.00 58.65 58.53 2ri4 h GLN 87 Cb 0.22 0.23 0.00 0.00 0.05 0.00 0.00 27.48 27.98 2ri4 h GLN 87 CO 0.01 1.30 0.00 -0.07 -1.50 0.00 0.00 178.83 178.57 2ri4 h LEU 88 N -0.15 0.00 0.95 1.46 3.38 -1.74 -1.44 115.31 117.76 2ri4 h LEU 88 Ca -0.25 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 2ri4 h LEU 88 Cb 1.88 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.64 2ri4 h LEU 88 CO 0.16 0.00 -0.46 -1.28 0.09 0.00 0.00 178.44 176.96 2ri4 h SER 89 N 0.00 -1.08 -0.70 -0.43 0.87 -1.12 -2.44 113.55 108.64 2ri4 h SER 89 Ca 0.00 0.04 0.06 0.00 -1.23 0.00 0.00 61.79 60.66 2ri4 h SER 89 Cb 0.55 0.28 -0.08 0.00 -0.44 0.00 0.00 62.40 62.70 2ri4 h SER 89 CO 0.00 -0.74 -0.41 -0.62 -0.53 0.00 0.00 176.83 174.52 2ri4 n GLU 90 N -5.62 -0.31 -0.09 2.24 1.02 -0.58 0.41 120.64 117.72 2ri4 n GLU 90 Ca -0.16 1.08 -0.07 0.00 -0.02 0.00 0.00 57.16 57.99 2ri4 n GLU 90 Cb 0.50 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 2ri4 n GLU 90 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2ri4 h LEU 91 N 0.00 0.06 -0.26 -4.62 5.85 -1.55 -2.19 115.31 112.60 2ri4 h LEU 91 Ca 0.11 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 2ri4 h LEU 91 Cb 0.29 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2ri4 h LEU 91 CO -0.66 0.07 -0.22 0.45 -0.34 0.00 0.00 178.44 177.74 2ri4 h HIS 92 N 0.20 0.00 0.00 1.25 3.86 -0.12 -2.65 115.15 117.69 2ri4 h HIS 92 Ca 0.14 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.17 2ri4 h HIS 92 Cb 0.14 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.58 2ri4 h HIS 92 CO -0.16 0.22 -1.58 0.00 0.86 0.00 0.00 177.93 177.27 2ri4 h ASP 94 N -1.00 0.00 0.00 0.00 5.19 -1.61 -3.28 116.42 115.72 2ri4 h ASP 94 Ca -0.28 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 2ri4 h ASP 94 Cb 1.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.74 2ri4 h ASP 94 CO -0.17 0.19 -0.01 0.29 -3.12 0.00 0.00 179.24 176.42 2ri4 n LYS 95 N -3.10 0.00 0.14 3.56 5.02 -1.21 -4.65 118.16 117.92 2ri4 n LYS 95 Ca 0.03 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.44 2ri4 n LYS 95 Cb 0.61 -0.35 0.31 0.00 -0.02 0.00 0.00 35.03 35.58 2ri4 n LYS 95 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2ri4 h LEU 96 N -0.01 0.00 1.02 -0.35 3.38 -1.70 -3.48 115.31 114.17 2ri4 h LEU 96 Ca 0.00 -0.01 -0.27 0.00 0.09 0.00 0.00 57.88 57.69 2ri4 h LEU 96 Cb 0.01 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.66 2ri4 h LEU 96 CO 0.00 0.01 -0.38 1.41 0.09 0.00 0.00 178.44 179.56 2ri4 n HIS 97 N -2.54 -1.69 -1.73 1.13 8.25 -1.16 -4.92 115.22 112.54 2ri4 n HIS 97 Ca 0.05 0.27 -0.64 0.00 -0.26 0.00 0.00 57.72 57.14 2ri4 n HIS 97 Cb 0.47 -1.98 -0.09 0.00 1.12 0.00 0.00 29.99 29.51 2ri4 n HIS 97 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2ri4 n VAL 98 N -3.35 0.11 -2.11 1.59 0.31 -0.64 -4.91 118.33 109.34 2ri4 n VAL 98 Ca -0.00 -0.02 -0.42 0.00 -0.01 0.00 0.00 64.34 63.89 2ri4 n VAL 98 Cb 0.52 -0.76 -0.03 0.00 -0.91 0.00 0.00 33.84 32.65 2ri4 n VAL 98 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2ri4 s ASP 99 N 3.18 6.77 0.25 4.52 -1.08 -1.26 -4.65 116.67 124.39 2ri4 s ASP 99 Ca 1.02 2.49 -0.02 0.00 -0.52 0.00 0.00 52.55 55.53 2ri4 s ASP 99 Cb -1.34 -2.61 0.53 0.00 -1.46 0.00 0.00 42.92 38.05 2ri4 s ASP 99 CO 0.76 -0.64 1.29 -2.65 0.52 0.00 0.00 175.17 174.44 2ri4 n PRO 100 N 2.96 -0.07 -0.34 4.34 -0.02 -1.26 -1.32 135.00 139.30 2ri4 n PRO 100 Ca 0.08 1.25 0.15 0.00 -2.02 0.00 0.00 63.50 62.96 2ri4 n PRO 100 Cb 0.41 -1.94 0.34 0.00 -0.02 0.00 0.00 33.50 32.29 2ri4 n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2ri4 h GLU 101 N 0.00 0.60 -0.33 -0.52 4.57 -1.99 0.14 114.58 117.05 2ri4 h GLU 101 Ca 0.46 -0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.67 2ri4 h GLU 101 Cb 0.86 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.30 2ri4 h GLU 101 CO -0.80 0.40 0.23 -0.91 -1.18 0.00 0.00 179.01 176.74 2ri4 h ASN 102 N 0.62 0.15 0.72 1.04 2.35 -1.59 -1.98 115.58 116.89 2ri4 h ASN 102 Ca 0.60 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.31 2ri4 h ASN 102 Cb 1.05 -0.03 0.01 0.00 0.05 0.00 0.00 38.32 39.40 2ri4 h ASN 102 CO -0.45 0.10 -0.35 -0.26 -1.65 0.00 0.00 177.43 174.82 2ri4 h PHE 103 N 0.17 -0.90 -0.95 1.19 0.04 -0.86 -2.60 116.94 113.03 2ri4 h PHE 103 Ca 0.15 -0.02 0.20 0.00 2.80 0.00 0.00 57.97 61.10 2ri4 h PHE 103 Cb 0.39 0.30 -0.18 0.00 2.20 0.00 0.00 35.95 38.66 2ri4 h PHE 103 CO -0.00 -0.54 -0.18 0.87 -0.60 0.00 0.00 178.31 177.85 2ri4 h LYS 104 N -1.05 0.01 -0.66 1.51 1.57 -1.39 0.48 116.57 117.04 2ri4 h LYS 104 Ca -0.10 -0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.77 2ri4 h LYS 104 Cb 0.76 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.03 2ri4 h LYS 104 CO 0.16 0.00 0.44 -0.07 -0.57 0.00 0.00 179.45 179.41 2ri4 h LEU 105 N 0.01 0.50 -0.62 2.94 3.38 -1.14 -0.20 115.31 120.17 2ri4 h LEU 105 Ca 0.48 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 58.31 2ri4 h LEU 105 Cb 0.78 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 2ri4 h LEU 105 CO -0.95 0.31 -0.67 0.25 0.09 0.00 0.00 178.44 177.47 2ri4 h LEU 106 N 0.56 0.00 0.33 1.67 5.85 0.29 -2.35 115.31 121.65 2ri4 h LEU 106 Ca 0.30 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.00 2ri4 h LEU 106 Cb 0.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.47 2ri4 h LEU 106 CO -0.10 0.67 -0.16 1.23 -0.34 0.00 0.00 178.44 179.74 2ri4 h GLY 107 N 2.11 -0.46 -0.10 3.75 0.00 -0.41 -0.73 103.07 107.23 2ri4 h GLY 107 Ca -0.01 0.17 0.18 0.00 0.00 0.00 0.00 47.33 47.68 2ri4 h GLY 107 CO 0.09 -0.17 0.28 3.43 0.00 0.00 0.00 176.54 180.17 2ri4 h ASN 108 N -0.94 0.18 -0.82 0.19 -0.26 -1.34 0.36 115.58 112.94 2ri4 h ASN 108 Ca -0.05 0.15 -0.01 0.00 -0.56 0.00 0.00 56.30 55.83 2ri4 h ASN 108 Cb 0.52 0.16 -0.04 0.00 -1.06 0.00 0.00 38.32 37.89 2ri4 h ASN 108 CO 0.07 -0.00 0.48 0.58 -1.06 0.00 0.00 177.43 177.50 2ri4 h VAL 109 N 0.35 1.23 0.14 2.81 2.07 -1.43 -1.82 116.25 119.60 2ri4 h VAL 109 Ca 0.48 -0.54 0.02 0.00 0.82 0.00 0.00 66.70 67.48 2ri4 h VAL 109 Cb 0.84 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 2ri4 h VAL 109 CO -0.51 0.25 -0.31 0.25 0.02 0.00 0.00 177.57 177.27 2ri4 h LEU 110 N 1.13 -0.89 -0.81 2.57 5.85 0.12 -1.65 115.31 121.63 2ri4 h LEU 110 Ca 0.29 0.10 0.19 0.00 0.84 0.00 0.00 57.88 59.31 2ri4 h LEU 110 Cb -0.02 0.34 -0.12 0.00 0.37 0.00 0.00 40.66 41.22 2ri4 h LEU 110 CO -0.05 -0.40 0.22 0.58 -0.34 0.00 0.00 178.44 178.44 2ri4 h VAL 111 N -0.55 0.44 -0.62 1.05 2.07 -0.32 0.33 116.25 118.65 2ri4 h VAL 111 Ca 0.03 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 2ri4 h VAL 111 Cb 0.57 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2ri4 h VAL 111 CO -0.17 0.05 0.26 0.58 0.02 0.00 0.00 177.57 178.30 2ri4 h VAL 112 N 0.26 1.22 -0.41 2.57 2.07 -0.49 -1.73 116.25 119.74 2ri4 h VAL 112 Ca 0.48 -0.67 -0.13 0.00 0.82 0.00 0.00 66.70 67.20 2ri4 h VAL 112 Cb 0.88 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2ri4 h VAL 112 CO -0.57 0.27 -0.26 0.58 0.02 0.00 0.00 177.57 177.61 2ri4 h VAL 113 N 0.89 1.27 -0.53 2.57 2.07 0.33 -1.32 116.25 121.53 2ri4 h VAL 113 Ca 0.21 -1.40 -0.11 0.00 0.82 0.00 0.00 66.70 66.22 2ri4 h VAL 113 Cb 0.16 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2ri4 h VAL 113 CO -0.02 0.47 -0.10 -0.07 0.02 0.00 0.00 177.57 177.87 2ri4 h LEU 114 N 0.73 1.01 -1.17 2.57 3.38 -0.96 -1.27 115.31 119.59 2ri4 h LEU 114 Ca 0.09 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 2ri4 h LEU 114 Cb 0.80 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 2ri4 h LEU 114 CO 0.07 1.12 0.26 0.00 0.09 0.00 0.00 178.44 179.98 2ri4 h ALA 115 N 0.92 1.35 -0.18 1.53 0.00 -0.91 0.17 119.26 122.14 2ri4 h ALA 115 Ca 0.14 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2ri4 h ALA 115 Cb 0.67 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2ri4 h ALA 115 CO 0.05 0.50 -0.08 -0.09 0.00 0.00 0.00 179.25 179.62 2ri4 h ARG 116 N 0.83 0.37 -0.26 0.00 2.43 -1.20 0.33 114.38 116.88 2ri4 h ARG 116 Ca 0.20 -0.16 -0.16 0.00 -0.81 0.00 0.00 59.98 59.05 2ri4 h ARG 116 Cb 0.12 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2ri4 h ARG 116 CO -0.02 0.67 -0.48 0.45 -1.51 0.00 0.00 179.97 179.07 2ri4 h HIS 117 N 0.06 0.87 -0.01 2.20 3.86 -0.97 -3.31 115.15 117.85 2ri4 h HIS 117 Ca 0.04 -0.29 0.00 0.00 -1.16 0.00 0.00 60.37 58.97 2ri4 h HIS 117 Cb 0.55 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.85 2ri4 h HIS 117 CO 0.06 1.05 -0.29 0.72 0.86 0.00 0.00 177.93 180.34 2ri4 n HIS 118 N -4.00 0.00 0.00 2.45 8.25 0.59 -5.02 115.22 117.48 2ri4 n HIS 118 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2ri4 n HIS 118 Cb 0.58 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.69 2ri4 n HIS 118 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ri4 n GLY 119 N 1.18 2.95 0.23 -1.41 0.00 0.10 -0.63 105.19 107.61 2ri4 n GLY 119 Ca 0.08 0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.37 2ri4 n GLY 119 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ri4 n SER 120 N 3.59 0.89 0.19 1.61 3.41 -1.26 -2.52 113.62 119.54 2ri4 n SER 120 Ca 0.00 -0.89 0.03 0.00 -0.26 0.00 0.00 58.87 57.75 2ri4 n SER 120 Cb 0.00 0.04 0.39 0.00 -0.26 0.00 0.00 64.21 64.38 2ri4 n SER 120 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2ri4 h GLU 121 N 1.15 0.00 -4.60 4.33 5.08 -1.27 -3.34 114.58 115.93 2ri4 h GLU 121 Ca 0.00 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.63 2ri4 h GLU 121 Cb 0.44 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.49 2ri4 h GLU 121 CO 0.00 0.33 0.93 0.12 -1.00 0.00 0.00 179.01 179.40 2ri4 s PHE 122 N -4.27 3.50 0.91 4.33 5.36 -1.05 -5.02 117.98 121.74 2ri4 s PHE 122 Ca -0.03 -1.94 -0.11 0.00 -0.96 0.00 0.00 56.93 53.89 2ri4 s PHE 122 Cb 0.15 -4.19 0.14 0.00 -0.34 0.00 0.00 43.02 38.77 2ri4 s PHE 122 CO 0.72 -1.33 1.09 0.95 -1.46 0.00 0.00 175.22 175.19 2ri4 s THR 123 N 1.45 2.62 0.18 0.12 -4.23 -1.26 -4.78 115.64 109.74 2ri4 s THR 123 Ca 0.35 0.20 -0.13 0.00 -1.18 0.00 0.00 61.69 60.94 2ri4 s THR 123 Cb -0.05 -2.59 0.09 0.00 1.34 0.00 0.00 72.50 71.29 2ri4 s THR 123 CO -0.05 -0.26 1.82 1.55 -0.54 0.00 0.00 174.62 177.13 2ri4 h PRO 124 N -1.64 0.63 0.34 3.99 0.13 -1.95 0.47 132.00 133.97 2ri4 h PRO 124 Ca -0.49 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2ri4 h PRO 124 Cb 1.28 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 2ri4 h PRO 124 CO 0.52 0.42 -0.30 -0.07 -0.23 0.00 0.00 178.00 178.34 2ri4 h LEU 125 N 0.65 -0.79 -1.29 1.56 -0.00 -2.01 -2.66 115.31 110.78 2ri4 h LEU 125 Ca 0.23 0.07 -0.05 0.00 -0.00 0.00 0.00 57.88 58.13 2ri4 h LEU 125 Cb 0.04 0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 40.95 2ri4 h LEU 125 CO -0.11 -0.44 -0.01 0.25 -0.00 0.00 0.00 178.44 178.13 2ri4 h LEU 126 N -0.65 0.43 -0.37 1.67 5.85 -1.89 -0.08 115.31 120.28 2ri4 h LEU 126 Ca -0.02 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2ri4 h LEU 126 Cb 0.58 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.50 2ri4 h LEU 126 CO -0.04 0.51 0.00 1.67 -0.34 0.00 0.00 178.44 180.24 2ri4 n GLN 127 N -4.29 0.07 0.08 1.25 7.27 0.14 -2.39 117.38 119.51 2ri4 n GLN 127 Ca 0.01 0.39 -0.23 0.00 0.07 0.00 0.00 57.00 57.24 2ri4 n GLN 127 Cb 0.24 -1.66 -0.15 0.00 2.41 0.00 0.00 30.24 31.08 2ri4 n GLN 127 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2ri4 h ALA 128 N 2.28 0.12 -0.02 1.69 0.00 -0.64 -2.79 119.26 119.90 2ri4 h ALA 128 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 54.91 53.79 2ri4 h ALA 128 Cb 0.20 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2ri4 h ALA 128 CO 0.00 0.99 0.01 0.93 0.00 0.00 0.00 179.25 181.19 2ri4 h GLU 129 N 0.11 0.02 -0.74 0.00 5.08 -1.55 -2.94 114.58 114.56 2ri4 h GLU 129 Ca -0.34 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.03 2ri4 h GLU 129 Cb 2.11 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 31.32 2ri4 h GLU 129 CO 0.19 0.04 0.49 0.74 -1.00 0.00 0.00 179.01 179.46 2ri4 h PHE 130 N 0.00 0.92 -0.89 4.33 0.04 -1.55 -0.81 116.94 118.98 2ri4 h PHE 130 Ca 0.01 0.02 0.24 0.00 2.80 0.00 0.00 57.97 61.04 2ri4 h PHE 130 Cb 0.02 -0.31 -0.15 0.00 2.20 0.00 0.00 35.95 37.71 2ri4 h PHE 130 CO -0.07 0.57 0.21 1.96 -0.60 0.00 0.00 178.31 180.39 2ri4 h GLN 131 N 0.99 0.17 -0.20 1.51 1.08 -1.45 1.30 115.11 118.52 2ri4 h GLN 131 Ca 0.28 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.45 2ri4 h GLN 131 Cb -0.10 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.28 2ri4 h GLN 131 CO -0.07 0.11 0.06 0.87 -0.95 0.00 0.00 178.83 178.86 2ri4 h LYS 132 N 0.18 0.27 0.55 1.46 1.57 -1.00 0.31 116.57 119.91 2ri4 h LYS 132 Ca 0.56 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 59.28 2ri4 h LYS 132 Cb 1.14 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 33.40 2ri4 h LYS 132 CO -0.68 0.25 -0.27 0.28 -0.57 0.00 0.00 179.45 178.46 2ri4 h VAL 133 N 0.27 0.00 -0.69 0.50 2.07 0.24 -2.96 116.25 115.68 2ri4 h VAL 133 Ca 0.07 -0.19 0.08 0.00 0.82 0.00 0.00 66.70 67.48 2ri4 h VAL 133 Cb 0.09 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.80 2ri4 h VAL 133 CO -0.00 0.00 0.35 -0.37 0.02 0.00 0.00 177.57 177.57 2ri4 h VAL 134 N -0.93 0.88 0.22 2.57 -1.51 -1.19 -0.25 116.25 116.03 2ri4 h VAL 134 Ca -0.08 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.19 2ri4 h VAL 134 Cb 0.57 0.21 -0.04 0.00 -2.13 0.00 0.00 31.29 29.90 2ri4 h VAL 134 CO 0.12 0.11 -0.50 0.00 -1.23 0.00 0.00 177.57 176.07 2ri4 h ALA 135 N 1.40 -1.03 -0.83 5.19 0.00 -1.05 0.39 119.26 123.35 2ri4 h ALA 135 Ca 0.33 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.23 2ri4 h ALA 135 Cb 0.31 0.84 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 2ri4 h ALA 135 CO -0.24 -1.13 0.45 0.78 0.00 0.00 0.00 179.25 179.11 2ri4 h GLY 136 N -0.79 1.31 0.91 0.00 0.00 -1.28 2.27 103.07 105.49 2ri4 h GLY 136 Ca -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 2ri4 h GLY 136 CO -0.22 0.05 -0.07 -2.08 0.00 0.00 0.00 176.54 174.22 2ri4 h VAL 137 N 0.70 0.90 0.00 4.60 2.07 -0.63 0.30 116.25 124.19 2ri4 h VAL 137 Ca 0.42 -0.20 -0.09 0.00 0.82 0.00 0.00 66.70 67.65 2ri4 h VAL 137 Cb 0.49 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2ri4 h VAL 137 CO -0.30 0.05 -0.45 0.00 0.02 0.00 0.00 177.57 176.89 2ri4 h ALA 138 N 0.53 1.18 -0.05 1.67 0.00 0.10 0.23 119.26 122.92 2ri4 h ALA 138 Ca -0.02 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 2ri4 h ALA 138 Cb 0.24 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2ri4 h ALA 138 CO 0.03 0.56 0.03 -0.91 0.00 0.00 0.00 179.25 178.97 2ri4 h ASN 139 N 0.00 0.06 -0.51 0.00 4.21 0.40 -3.27 115.58 116.47 2ri4 h ASN 139 Ca -0.00 -0.04 -0.12 0.00 1.21 0.00 0.00 56.30 57.34 2ri4 h ASN 139 Cb 0.84 -0.02 -0.02 0.00 -1.12 0.00 0.00 38.32 38.01 2ri4 h ASN 139 CO 0.06 0.08 -0.15 0.00 -1.29 0.00 0.00 177.43 176.13 2ri4 h ALA 140 N 0.98 0.70 0.00 -0.83 0.00 0.97 -2.78 119.26 118.31 2ri4 h ALA 140 Ca 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2ri4 h ALA 140 Cb 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2ri4 h ALA 140 CO -0.00 0.65 0.01 -0.07 0.00 0.00 0.00 179.25 179.83 2ri4 h LEU 141 N 0.87 0.00 -3.15 0.00 3.38 -0.66 -2.11 115.31 113.63 2ri4 h LEU 141 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2ri4 h LEU 141 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2ri4 h LEU 141 CO 0.06 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.59 2ri4 n ALA 142 N -1.95 2.72 -0.13 1.53 0.00 -1.05 -3.98 120.51 117.65 2ri4 n ALA 142 Ca -0.02 -2.08 -0.12 0.00 0.00 0.00 0.00 53.44 51.22 2ri4 n ALA 142 Cb 0.06 -0.59 -0.02 0.00 0.00 0.00 0.00 19.45 18.90 2ri4 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2ri4 h HIS 143 N 1.56 0.93 0.00 0.00 6.17 -1.43 -2.46 115.15 119.92 2ri4 h HIS 143 Ca 0.00 -0.22 0.00 0.00 0.71 0.00 0.00 60.37 60.86 2ri4 h HIS 143 Cb 1.22 -0.22 0.00 0.00 2.52 0.00 0.00 27.41 30.93 2ri4 h HIS 143 CO 0.37 0.97 0.00 0.54 0.71 0.00 0.00 177.93 180.51 2ri4 n ARG 144 N -4.27 0.70 0.00 5.26 1.74 -1.26 -5.15 116.66 113.68 2ri4 n ARG 144 Ca -0.01 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.10 2ri4 n ARG 144 Cb 0.40 -1.25 0.03 0.00 -1.02 0.00 0.00 32.46 30.63 2ri4 n ARG 144 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77