#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ri4 n THR 4 N 0.00 0.00 -4.08 1.47 -2.24 -1.26 -4.70 114.28 103.47 2ri4 n THR 4 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 2ri4 n THR 4 Cb 0.00 -0.05 -0.10 0.00 -2.10 0.00 0.00 70.33 68.08 2ri4 n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ri4 s ALA 5 N -3.34 0.46 0.00 6.98 0.00 -1.26 -4.38 121.76 120.22 2ri4 s ALA 5 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.80 2ri4 s ALA 5 Cb 0.00 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.39 2ri4 s ALA 5 CO 0.00 -0.37 0.00 0.39 0.00 0.00 0.00 175.76 175.78 2ri4 n GLU 6 N 0.15 0.00 0.02 0.00 1.02 -1.26 -4.39 120.64 116.19 2ri4 n GLU 6 Ca -0.14 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 56.97 2ri4 n GLU 6 Cb 0.61 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 32.02 2ri4 n GLU 6 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2ri4 h GLU 7 N 0.00 -0.15 0.00 3.49 5.08 -1.94 -3.07 114.58 117.99 2ri4 h GLU 7 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2ri4 h GLU 7 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2ri4 h GLU 7 CO 0.00 -0.10 0.42 -0.22 -1.00 0.00 0.00 179.01 178.11 2ri4 h LYS 8 N -0.95 0.00 0.00 2.33 3.64 -1.76 -0.85 116.57 118.98 2ri4 h LYS 8 Ca -0.02 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 2ri4 h LYS 8 Cb 0.12 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 2ri4 h LYS 8 CO 0.03 0.00 -2.07 0.00 -2.27 0.00 0.00 179.45 175.13 2ri4 n ALA 9 N -1.82 2.28 0.00 5.00 0.00 -1.26 -3.55 120.51 121.16 2ri4 n ALA 9 Ca -0.02 -0.78 -0.00 0.00 0.00 0.00 0.00 53.44 52.64 2ri4 n ALA 9 Cb 0.46 -0.48 -0.00 0.00 0.00 0.00 0.00 19.45 19.43 2ri4 n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ri4 h ALA 10 N 1.50 -0.67 -1.51 0.00 0.00 -1.04 0.73 119.26 118.26 2ri4 h ALA 10 Ca -0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2ri4 h ALA 10 Cb 1.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2ri4 h ALA 10 CO 0.01 -0.67 0.00 1.33 0.00 0.00 0.00 179.25 179.92 2ri4 n VAL 11 N -2.02 0.00 -0.37 0.00 0.24 -1.18 -0.83 118.33 114.17 2ri4 n VAL 11 Ca -0.00 0.57 -0.01 0.00 -2.04 0.00 0.00 64.34 62.86 2ri4 n VAL 11 Cb 0.00 -0.84 0.05 0.00 -1.47 0.00 0.00 33.84 31.57 2ri4 n VAL 11 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2ri4 n THR 12 N -0.92 -0.51 -0.25 3.34 -1.04 -1.23 0.11 114.28 113.78 2ri4 n THR 12 Ca 0.00 2.28 0.27 0.00 -2.04 0.00 0.00 64.05 64.56 2ri4 n THR 12 Cb 0.00 -3.03 0.64 0.00 -1.82 0.00 0.00 70.33 66.12 2ri4 n THR 12 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2ri4 h GLY 13 N 0.00 0.45 0.07 3.41 0.00 0.95 0.18 103.07 108.13 2ri4 h GLY 13 Ca 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.59 2ri4 h GLY 13 CO -0.97 -0.03 -1.59 0.33 0.00 0.00 0.00 176.54 174.28 2ri4 n PHE 14 N -4.38 0.05 0.30 5.60 -0.00 0.12 -4.12 117.46 115.02 2ri4 n PHE 14 Ca 0.21 0.01 0.17 0.00 -0.00 0.00 0.00 57.45 57.84 2ri4 n PHE 14 Cb 0.94 -0.35 0.79 0.00 -0.00 0.00 0.00 39.48 40.86 2ri4 n PHE 14 CO 0.00 0.00 0.00 2.35 -0.00 0.00 0.00 176.76 179.11 2ri4 h TRP 15 N 0.00 0.00 -0.00 -5.13 2.91 0.18 -1.73 115.95 112.18 2ri4 h TRP 15 Ca 0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 2ri4 h TRP 15 Cb 0.82 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.47 2ri4 h TRP 15 CO 0.00 0.00 -0.13 0.41 -1.03 0.00 0.00 178.44 177.69 2ri4 n GLY 16 N -0.59 -1.03 0.26 2.65 0.00 -1.21 -3.49 105.19 101.78 2ri4 n GLY 16 Ca -0.01 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.06 0.64 -2.47 1.61 5.02 -0.65 -4.92 118.16 116.34 2ri4 n LYS 17 Ca 0.13 -0.52 -0.43 0.00 -2.02 0.00 0.00 58.31 55.47 2ri4 n LYS 17 Cb 0.29 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.79 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 -2.72 4.29 -0.57 -0.18 1.01 -1.20 -4.95 120.40 116.08 2ri4 s VAL 18 Ca 0.14 1.52 -0.27 0.00 0.00 0.00 0.00 61.98 63.38 2ri4 s VAL 18 Cb 0.17 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 2ri4 s VAL 18 CO 0.70 -0.30 1.87 -0.54 0.00 0.00 0.00 175.10 176.83 2ri4 s LYS 19 N 3.73 2.71 0.42 2.72 1.02 -1.26 -4.84 119.74 124.24 2ri4 s LYS 19 Ca 0.53 0.76 0.16 0.00 0.02 0.00 0.00 55.97 57.44 2ri4 s LYS 19 Cb -0.18 -4.37 0.92 0.00 -0.52 0.00 0.00 37.83 33.69 2ri4 s LYS 19 CO 0.17 -2.62 1.91 -0.39 -0.92 0.00 0.00 175.35 173.50 2ri4 h VAL 20 N 6.91 1.09 0.02 3.17 -1.51 -1.93 -2.51 116.25 121.49 2ri4 h VAL 20 Ca -0.27 -0.97 -0.00 0.00 -1.23 0.00 0.00 66.70 64.23 2ri4 h VAL 20 Cb 1.17 1.54 0.00 0.00 -2.13 0.00 0.00 31.29 31.86 2ri4 h VAL 20 CO 1.19 0.27 -0.01 0.44 -1.23 0.00 0.00 177.57 178.23 2ri4 h ASP 21 N 0.00 -0.02 -0.69 4.19 5.19 -1.93 0.16 116.42 123.32 2ri4 h ASP 21 Ca -0.00 -0.74 0.11 0.00 -0.62 0.00 0.00 57.03 55.77 2ri4 h ASP 21 Cb 0.51 0.01 -0.08 0.00 0.18 0.00 0.00 39.33 39.95 2ri4 h ASP 21 CO 0.04 0.79 0.28 -0.33 -3.12 0.00 0.00 179.24 176.90 2ri4 h GLU 22 N -0.89 0.45 0.36 3.56 5.08 -1.98 -2.71 114.58 118.45 2ri4 h GLU 22 Ca -0.00 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2ri4 h GLU 22 Cb 0.76 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2ri4 h GLU 22 CO 0.00 0.30 -0.17 0.28 -1.00 0.00 0.00 179.01 178.42 2ri4 h VAL 23 N 0.47 0.49 0.00 3.13 2.07 -1.48 -2.86 116.25 118.06 2ri4 h VAL 23 Ca 0.36 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2ri4 h VAL 23 Cb 0.46 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2ri4 h VAL 23 CO -0.33 0.10 0.00 0.61 0.02 0.00 0.00 177.57 177.96 2ri4 n GLY 24 N -0.05 -3.57 0.16 2.17 0.00 0.56 0.71 105.19 105.17 2ri4 n GLY 24 Ca -0.09 0.67 0.04 0.00 0.00 0.00 0.00 46.02 46.65 2ri4 n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ri4 n ALA 25 N -0.97 0.16 0.09 4.61 0.00 -1.03 -0.14 120.51 123.24 2ri4 n ALA 25 Ca 0.00 0.50 -0.13 0.00 0.00 0.00 0.00 53.44 53.81 2ri4 n ALA 25 Cb 0.00 -0.33 -0.10 0.00 0.00 0.00 0.00 19.45 19.03 2ri4 n ALA 25 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2ri4 h GLU 26 N 0.00 0.24 0.89 0.00 4.81 -1.03 0.27 114.58 119.76 2ri4 h GLU 26 Ca 0.24 -0.36 -0.04 0.00 -0.13 0.00 0.00 59.36 59.07 2ri4 h GLU 26 Cb 0.43 0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.94 2ri4 h GLU 26 CO -0.46 1.12 -0.43 0.00 -0.73 0.00 0.00 179.01 178.52 2ri4 h ALA 27 N 0.73 -1.20 -0.09 2.92 0.00 0.38 0.24 119.26 122.24 2ri4 h ALA 27 Ca -0.09 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.59 2ri4 h ALA 27 Cb 1.80 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 19.99 2ri4 h ALA 27 CO 0.18 -1.13 -0.43 1.25 0.00 0.00 0.00 179.25 179.11 2ri4 h LEU 28 N -1.29 -1.34 -1.07 0.00 6.46 -1.17 1.00 115.31 117.90 2ri4 h LEU 28 Ca -0.12 0.17 0.08 0.00 -0.12 0.00 0.00 57.88 57.88 2ri4 h LEU 28 Cb 0.92 0.54 -0.07 0.00 -0.73 0.00 0.00 40.66 41.32 2ri4 h LEU 28 CO 0.20 -0.44 0.62 1.23 -0.62 0.00 0.00 178.44 179.43 2ri4 h GLY 29 N -0.53 1.47 1.47 3.75 0.00 -1.02 -0.50 103.07 107.70 2ri4 h GLY 29 Ca 0.06 -0.44 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 2ri4 h GLY 29 CO -0.38 0.29 -0.02 3.21 0.00 0.00 0.00 176.54 179.64 2ri4 h ARG 30 N 1.08 0.65 -0.91 4.80 3.08 0.26 -2.68 114.38 120.67 2ri4 h ARG 30 Ca 0.43 -0.17 0.10 0.00 0.07 0.00 0.00 59.98 60.41 2ri4 h ARG 30 Cb 0.25 -0.08 -0.08 0.00 0.08 0.00 0.00 29.97 30.14 2ri4 h ARG 30 CO -0.18 0.69 0.55 1.25 -1.07 0.00 0.00 179.97 181.21 2ri4 h LEU 31 N 0.61 0.82 0.08 3.04 5.85 0.27 -0.76 115.31 125.21 2ri4 h LEU 31 Ca 0.12 0.04 -0.29 0.00 0.84 0.00 0.00 57.88 58.60 2ri4 h LEU 31 Cb 0.42 -0.12 0.02 0.00 0.37 0.00 0.00 40.66 41.35 2ri4 h LEU 31 CO 0.02 0.46 -1.20 -0.07 -0.34 0.00 0.00 178.44 177.31 2ri4 h LEU 32 N 0.92 0.81 -0.41 2.25 3.38 -1.16 -0.15 115.31 120.96 2ri4 h LEU 32 Ca 0.43 -0.74 -0.10 0.00 0.09 0.00 0.00 57.88 57.56 2ri4 h LEU 32 Cb 0.37 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2ri4 h LEU 32 CO -0.24 1.55 -0.14 0.58 0.09 0.00 0.00 178.44 180.27 2ri4 h VAL 33 N 0.27 1.28 0.08 1.22 2.07 -1.36 -2.87 116.25 116.94 2ri4 h VAL 33 Ca -0.17 -1.26 -0.31 0.00 0.82 0.00 0.00 66.70 65.78 2ri4 h VAL 33 Cb 1.87 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.87 2ri4 h VAL 33 CO 0.23 0.42 -1.67 0.58 0.02 0.00 0.00 177.57 177.15 2ri4 h VAL 34 N 0.63 0.97 -3.33 2.57 2.07 -1.15 -3.38 116.25 114.62 2ri4 h VAL 34 Ca 0.10 -2.69 -0.67 0.00 0.82 0.00 0.00 66.70 64.26 2ri4 h VAL 34 Cb 0.69 2.62 -0.38 0.00 -1.52 0.00 0.00 31.29 32.69 2ri4 h VAL 34 CO 0.05 0.76 -0.41 -0.31 0.02 0.00 0.00 177.57 177.68 2ri4 s TYR 35 N -2.60 3.52 -2.00 1.57 2.02 -0.07 -4.99 117.35 114.80 2ri4 s TYR 35 Ca -0.11 -3.06 0.20 0.00 -0.37 0.00 0.00 57.07 53.73 2ri4 s TYR 35 Cb 0.07 -3.00 1.19 0.00 -0.40 0.00 0.00 41.96 39.82 2ri4 s TYR 35 CO 0.83 -0.71 1.63 -0.35 -1.57 0.00 0.00 175.55 175.37 2ri4 n PRO 36 N 2.71 0.77 0.00 -1.71 -0.04 -1.08 -2.25 135.00 133.39 2ri4 n PRO 36 Ca 0.14 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.74 2ri4 n PRO 36 Cb 0.36 -1.40 0.62 0.00 -0.04 0.00 0.00 33.50 33.03 2ri4 n PRO 36 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2ri4 n TRP 37 N -0.90 0.00 0.31 0.54 2.14 -1.26 -3.36 117.44 114.91 2ri4 n TRP 37 Ca 0.15 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.84 2ri4 n TRP 37 Cb 0.07 -0.17 0.14 0.00 -0.81 0.00 0.00 31.31 30.54 2ri4 n TRP 37 CO 0.00 0.00 0.00 1.15 2.07 0.00 0.00 177.69 180.91 2ri4 h THR 38 N 0.61 0.00 0.00 -1.67 2.02 -1.75 -3.13 112.91 108.99 2ri4 h THR 38 Ca 0.00 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.36 2ri4 h THR 38 Cb 0.35 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 2ri4 h THR 38 CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 2ri4 n GLN 39 N -2.63 0.05 0.06 6.66 6.02 -1.21 -3.33 117.38 122.99 2ri4 n GLN 39 Ca 0.03 0.29 -0.21 0.00 -0.01 0.00 0.00 57.00 57.10 2ri4 n GLN 39 Cb 0.50 -1.50 -0.15 0.00 1.02 0.00 0.00 30.24 30.12 2ri4 n GLN 39 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 2ri4 h ARG 40 N 0.00 0.34 0.00 -1.09 9.65 -1.80 -2.93 114.38 118.56 2ri4 h ARG 40 Ca 0.00 -0.58 -0.05 0.00 -1.10 0.00 0.00 59.98 58.25 2ri4 h ARG 40 Cb 0.06 0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 28.84 2ri4 h ARG 40 CO 0.00 1.25 -0.26 0.74 2.80 0.00 0.00 179.97 184.50 2ri4 h PHE 41 N 0.09 0.00 -0.29 2.20 -1.00 -1.78 -3.30 116.94 112.87 2ri4 h PHE 41 Ca -0.34 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.44 2ri4 h PHE 41 Cb 2.07 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.63 2ri4 h PHE 41 CO 0.09 0.26 0.00 1.19 -1.61 0.00 0.00 178.31 178.24 2ri4 n PHE 42 N -3.27 0.62 0.26 -0.55 3.72 -1.24 -4.63 117.46 112.37 2ri4 n PHE 42 Ca 0.01 -0.66 0.17 0.00 -0.05 0.00 0.00 57.45 56.93 2ri4 n PHE 42 Cb 0.53 -0.14 0.91 0.00 -0.94 0.00 0.00 39.48 39.84 2ri4 n PHE 42 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 2ri4 h GLU 43 N 1.78 0.00 -0.55 -1.08 4.11 -1.59 0.54 114.58 117.78 2ri4 h GLU 43 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2ri4 h GLU 43 Cb 1.01 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 2ri4 h GLU 43 CO 0.09 0.00 0.35 1.12 0.07 0.00 0.00 179.01 180.64 2ri4 h HIS 44 N 0.00 0.72 -0.86 2.06 2.07 -1.89 -3.22 115.15 114.03 2ri4 h HIS 44 Ca 0.00 0.01 0.25 0.00 -2.85 0.00 0.00 60.37 57.77 2ri4 h HIS 44 Cb 0.03 -0.24 -0.03 0.00 2.57 0.00 0.00 27.41 29.74 2ri4 h HIS 44 CO 0.00 0.47 0.92 0.74 -3.07 0.00 0.00 177.93 177.00 2ri4 h PHE 45 N 0.75 0.00 0.00 6.12 -1.00 -1.25 -3.45 116.94 118.10 2ri4 h PHE 45 Ca 0.20 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.98 2ri4 h PHE 45 Cb -0.05 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.51 2ri4 h PHE 45 CO -0.03 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.08 2ri4 n GLY 46 N -1.64 0.35 3.64 -1.45 0.00 -1.22 -4.66 105.19 100.20 2ri4 n GLY 46 Ca 0.18 -1.79 -0.50 0.00 0.00 0.00 0.00 46.02 43.92 2ri4 n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ri4 n ASP 47 N 0.00 3.00 -0.57 1.61 2.03 -1.26 -4.85 116.55 116.51 2ri4 n ASP 47 Ca 0.00 0.82 0.06 0.00 0.52 0.00 0.00 54.79 56.19 2ri4 n ASP 47 Cb 0.00 -1.32 0.20 0.00 -0.72 0.00 0.00 41.12 39.27 2ri4 n ASP 47 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2ri4 n LEU 48 N 7.45 2.81 -0.26 -2.67 4.77 -1.26 -4.72 117.00 123.12 2ri4 n LEU 48 Ca 0.28 -3.73 0.06 0.00 -0.03 0.00 0.00 56.01 52.59 2ri4 n LEU 48 Cb 0.26 -0.52 0.20 0.00 -2.33 0.00 0.00 43.42 41.03 2ri4 n LEU 48 CO 0.75 1.25 0.99 0.77 -1.33 0.00 0.00 177.39 179.82 2ri4 h SER 49 N 0.83 0.18 -4.79 -1.43 4.64 -1.91 -3.44 113.55 107.64 2ri4 h SER 49 Ca 0.02 0.13 -0.40 0.00 -0.47 0.00 0.00 61.79 61.07 2ri4 h SER 49 Cb 1.08 0.13 -0.14 0.00 -0.31 0.00 0.00 62.40 63.16 2ri4 h SER 49 CO 0.04 0.04 -0.56 -0.94 -0.87 0.00 0.00 176.83 174.54 2ri4 s SER 50 N -5.29 1.43 0.07 4.97 1.04 -1.26 -5.01 113.70 109.66 2ri4 s SER 50 Ca -0.12 -1.54 -0.37 0.00 0.48 0.00 0.00 55.95 54.40 2ri4 s SER 50 Cb 0.21 0.37 -0.20 0.00 0.10 0.00 0.00 66.02 66.50 2ri4 s SER 50 CO 0.76 -0.87 1.57 0.00 0.98 0.00 0.00 173.24 175.68 2ri4 h ALA 51 N 2.25 -1.28 -1.07 5.32 0.00 -1.97 -1.23 119.26 121.29 2ri4 h ALA 51 Ca -0.34 -0.27 0.29 0.00 0.00 0.00 0.00 54.91 54.59 2ri4 h ALA 51 Cb 1.25 0.56 -0.11 0.00 0.00 0.00 0.00 17.79 19.49 2ri4 h ALA 51 CO 0.52 -1.23 0.67 0.22 0.00 0.00 0.00 179.25 179.44 2ri4 h ASP 52 N -1.25 0.46 -0.30 0.00 3.58 -1.98 -1.31 116.42 115.62 2ri4 h ASP 52 Ca -0.12 0.10 -0.11 0.00 0.42 0.00 0.00 57.03 57.33 2ri4 h ASP 52 Cb 0.98 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 42.06 2ri4 h ASP 52 CO 0.16 0.04 -0.23 0.00 -2.88 0.00 0.00 179.24 176.33 2ri4 h ALA 53 N 1.65 0.43 0.40 -0.78 0.00 -1.85 -3.21 119.26 115.89 2ri4 h ALA 53 Ca 0.64 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2ri4 h ALA 53 Cb 1.61 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2ri4 h ALA 53 CO -0.36 0.40 -0.19 0.28 0.00 0.00 0.00 179.25 179.38 2ri4 h VAL 54 N 0.43 0.00 -0.84 0.00 2.07 -0.05 -3.02 116.25 114.84 2ri4 h VAL 54 Ca 0.06 -0.05 0.32 0.00 0.82 0.00 0.00 66.70 67.84 2ri4 h VAL 54 Cb 0.78 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.44 2ri4 h VAL 54 CO 0.06 0.00 0.50 0.23 0.02 0.00 0.00 177.57 178.38 2ri4 n MET 55 N -3.57 -0.04 -2.29 1.57 2.00 -1.06 -0.13 117.12 113.59 2ri4 n MET 55 Ca -0.07 0.95 -0.39 0.00 0.00 0.00 0.00 57.70 58.20 2ri4 n MET 55 Cb 0.21 -1.77 0.02 0.00 0.00 0.00 0.00 33.22 31.68 2ri4 n MET 55 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 2ri4 n ASN 56 N -4.40 7.09 -3.81 7.83 3.02 -1.14 -4.83 115.26 119.03 2ri4 n ASN 56 Ca 0.28 -3.77 -0.30 0.00 -0.03 0.00 0.00 54.58 50.77 2ri4 n ASN 56 Cb 1.01 -1.03 -0.15 0.00 -0.61 0.00 0.00 39.78 38.99 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 -1.50 3.87 0.12 6.41 3.84 0.81 -4.96 114.94 123.53 2ri4 s ASN 57 Ca 0.47 -1.45 -0.09 0.00 0.21 0.00 0.00 52.86 52.00 2ri4 s ASN 57 Cb 0.33 -0.96 0.12 0.00 -0.55 0.00 0.00 41.25 40.19 2ri4 s ASN 57 CO -0.28 -0.35 0.78 0.00 -2.79 0.00 0.00 177.10 174.46 2ri4 n ALA 58 N 4.78 -0.06 0.24 1.71 0.00 -1.26 -0.95 120.51 124.98 2ri4 n ALA 58 Ca -0.05 0.50 0.13 0.00 0.00 0.00 0.00 53.44 54.02 2ri4 n ALA 58 Cb 0.43 -0.23 0.25 0.00 0.00 0.00 0.00 19.45 19.90 2ri4 n ALA 58 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2ri4 h LYS 59 N 0.00 0.00 0.00 0.00 6.56 -1.96 -1.22 116.57 119.96 2ri4 h LYS 59 Ca 0.18 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.74 2ri4 h LYS 59 Cb 0.30 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.96 2ri4 h LYS 59 CO -0.50 0.00 -0.09 -0.39 -2.06 0.00 0.00 179.45 176.41 2ri4 h VAL 60 N 0.00 1.61 -0.86 0.50 -1.51 -1.39 -0.87 116.25 113.72 2ri4 h VAL 60 Ca 0.00 -1.91 0.15 0.00 -1.23 0.00 0.00 66.70 63.72 2ri4 h VAL 60 Cb 0.92 2.87 -0.15 0.00 -2.13 0.00 0.00 31.29 32.80 2ri4 h VAL 60 CO 0.00 0.51 -0.30 0.11 -1.23 0.00 0.00 177.57 176.65 2ri4 h LYS 61 N -0.70 -0.03 0.59 5.19 6.56 -1.48 -0.34 116.57 126.36 2ri4 h LYS 61 Ca -0.01 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.55 2ri4 h LYS 61 Cb 0.88 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.55 2ri4 h LYS 61 CO 0.02 -0.02 -0.32 0.00 -2.06 0.00 0.00 179.45 177.07 2ri4 h ALA 62 N 1.54 -1.19 -0.01 3.86 0.00 -1.23 -3.03 119.26 119.19 2ri4 h ALA 62 Ca 0.36 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 2ri4 h ALA 62 Cb 0.61 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2ri4 h ALA 62 CO -0.89 -1.15 -0.71 1.25 0.00 0.00 0.00 179.25 177.76 2ri4 h HIS 63 N -0.83 0.11 -0.27 0.00 -0.00 -1.02 -2.30 115.15 110.84 2ri4 h HIS 63 Ca -0.08 -0.05 0.08 0.00 -0.00 0.00 0.00 60.37 60.32 2ri4 h HIS 63 Cb 0.65 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 28.03 2ri4 h HIS 63 CO 0.03 0.76 0.20 0.78 -0.00 0.00 0.00 177.93 179.69 2ri4 h GLY 64 N 1.92 0.00 0.95 5.26 0.00 -1.16 0.14 103.07 110.19 2ri4 h GLY 64 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 2ri4 h GLY 64 CO 0.10 0.00 0.16 0.50 0.00 0.00 0.00 176.54 177.30 2ri4 h LYS 65 N 0.00 0.43 -0.14 4.80 1.57 -1.28 -2.93 116.57 119.02 2ri4 h LYS 65 Ca 0.13 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 2ri4 h LYS 65 Cb 0.52 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 2ri4 h LYS 65 CO -0.00 0.38 -0.11 0.87 -0.57 0.00 0.00 179.45 180.02 2ri4 h LYS 66 N 0.37 0.33 -0.84 3.15 1.57 -0.85 1.02 116.57 121.33 2ri4 h LYS 66 Ca 0.11 -0.16 0.17 0.00 -1.87 0.00 0.00 60.65 58.89 2ri4 h LYS 66 Cb 0.08 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.23 2ri4 h LYS 66 CO -0.02 0.70 -0.21 0.28 -0.57 0.00 0.00 179.45 179.63 2ri4 n VAL 67 N -4.59 -0.35 0.03 0.50 0.31 -0.15 -0.46 118.33 113.61 2ri4 n VAL 67 Ca -0.06 1.92 -0.22 0.00 -0.01 0.00 0.00 64.34 65.97 2ri4 n VAL 67 Cb 0.34 -2.66 -0.14 0.00 -0.91 0.00 0.00 33.84 30.47 2ri4 n VAL 67 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2ri4 h LEU 68 N 0.00 0.45 -1.23 7.52 7.12 -1.06 0.08 115.31 128.19 2ri4 h LEU 68 Ca 0.40 -0.88 0.41 0.00 0.13 0.00 0.00 57.88 57.94 2ri4 h LEU 68 Cb 0.61 -0.15 -0.15 0.00 -0.53 0.00 0.00 40.66 40.45 2ri4 h LEU 68 CO -0.86 1.65 0.72 0.44 -0.13 0.00 0.00 178.44 180.26 2ri4 h ASP 69 N -0.21 0.31 0.66 1.25 3.32 0.13 0.96 116.42 122.86 2ri4 h ASP 69 Ca -0.31 0.18 -0.10 0.00 0.02 0.00 0.00 57.03 56.83 2ri4 h ASP 69 Cb 1.84 0.17 -0.02 0.00 0.22 0.00 0.00 39.33 41.54 2ri4 h ASP 69 CO 0.09 -0.24 -1.41 -1.54 -1.72 0.00 0.00 179.24 174.42 2ri4 n SER 70 N -4.91 0.68 -0.17 6.45 3.41 0.40 -1.89 113.62 117.59 2ri4 n SER 70 Ca 0.37 0.28 -0.09 0.00 -0.26 0.00 0.00 58.87 59.17 2ri4 n SER 70 Cb 1.32 0.58 0.00 0.00 -0.26 0.00 0.00 64.21 65.85 2ri4 n SER 70 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2ri4 h PHE 71 N 0.00 0.82 -0.03 7.33 3.04 0.97 -1.61 116.94 127.46 2ri4 h PHE 71 Ca -0.11 -0.10 0.02 0.00 3.98 0.00 0.00 57.97 61.76 2ri4 h PHE 71 Cb 1.33 -0.23 -0.05 0.00 2.56 0.00 0.00 35.95 39.56 2ri4 h PHE 71 CO 0.00 0.75 -0.47 0.77 -2.02 0.00 0.00 178.31 177.33 2ri4 h SER 72 N 0.65 -1.47 -1.01 0.41 0.02 0.83 -2.57 113.55 110.43 2ri4 h SER 72 Ca 0.15 0.17 0.24 0.00 -0.84 0.00 0.00 61.79 61.51 2ri4 h SER 72 Cb 0.35 0.56 -0.12 0.00 0.14 0.00 0.00 62.40 63.33 2ri4 h SER 72 CO 0.00 -0.45 0.60 -1.13 -1.14 0.00 0.00 176.83 174.71 2ri4 h ASN 73 N -0.57 0.68 0.63 3.07 -1.24 -1.36 0.67 115.58 117.46 2ri4 h ASN 73 Ca 0.01 0.13 0.00 0.00 0.71 0.00 0.00 56.30 57.16 2ri4 h ASN 73 Cb 0.62 0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.70 2ri4 h ASN 73 CO -0.33 0.12 0.00 0.61 -1.29 0.00 0.00 177.43 176.54 2ri4 n GLY 74 N -1.32 -1.21 0.07 1.57 0.00 -0.61 -2.06 105.19 101.64 2ri4 n GLY 74 Ca 0.26 0.09 -0.14 0.00 0.00 0.00 0.00 46.02 46.24 2ri4 n GLY 74 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2ri4 h MET 75 N 0.00 0.06 -0.43 1.61 2.86 0.76 -3.17 114.93 116.62 2ri4 h MET 75 Ca 0.00 -0.05 0.08 0.00 -2.06 0.00 0.00 59.70 57.67 2ri4 h MET 75 Cb 0.31 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.91 2ri4 h MET 75 CO 0.00 0.68 -0.02 0.87 1.06 0.00 0.00 176.91 179.50 2ri4 h LYS 76 N -0.54 0.08 -1.66 1.72 1.57 -1.03 -2.71 116.57 114.00 2ri4 h LYS 76 Ca -0.00 -0.01 -0.71 0.00 -1.87 0.00 0.00 60.65 58.06 2ri4 h LYS 76 Cb 0.69 -0.02 -0.30 0.00 0.08 0.00 0.00 32.23 32.67 2ri4 h LYS 76 CO 0.01 0.06 0.67 0.72 -0.57 0.00 0.00 179.45 180.34 2ri4 n HIS 77 N -5.23 3.09 -0.08 -1.35 8.25 -0.96 -4.87 115.22 114.06 2ri4 n HIS 77 Ca 0.03 -2.58 0.00 0.00 -0.26 0.00 0.00 57.72 54.91 2ri4 n HIS 77 Cb 0.23 -1.04 0.00 0.00 1.12 0.00 0.00 29.99 30.30 2ri4 n HIS 77 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2ri4 n LEU 78 N -0.62 4.04 0.00 2.41 0.00 -1.03 -2.39 117.00 119.41 2ri4 n LEU 78 Ca 0.53 -1.85 0.00 0.00 0.00 0.00 0.00 56.01 54.69 2ri4 n LEU 78 Cb 0.42 -0.82 0.00 0.00 0.00 0.00 0.00 43.42 43.02 2ri4 n LEU 78 CO 0.54 0.75 -0.04 0.47 0.00 0.00 0.00 177.39 179.11 2ri4 n ASP 79 N 1.30 0.38 -3.59 1.96 8.00 -1.26 -4.86 116.55 118.48 2ri4 n ASP 79 Ca 0.00 -0.01 -0.27 0.00 0.71 0.00 0.00 54.79 55.22 2ri4 n ASP 79 Cb 0.43 0.09 -0.10 0.00 -0.02 0.00 0.00 41.12 41.52 2ri4 n ASP 79 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2ri4 n ASP 80 N -0.13 2.83 0.07 -2.24 2.03 -1.01 -4.88 116.55 113.22 2ri4 n ASP 80 Ca 0.00 -3.21 -0.05 0.00 0.52 0.00 0.00 54.79 52.05 2ri4 n ASP 80 Cb 0.00 -0.69 -0.09 0.00 -0.72 0.00 0.00 41.12 39.61 2ri4 n ASP 80 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2ri4 h LEU 81 N 4.75 0.00 -0.55 -2.67 3.38 -1.90 -3.17 115.31 115.15 2ri4 h LEU 81 Ca 0.17 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 2ri4 h LEU 81 Cb 0.74 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2ri4 h LEU 81 CO 0.72 0.89 -0.19 0.11 0.09 0.00 0.00 178.44 180.06 2ri4 h LYS 82 N 0.00 0.96 0.00 1.13 1.57 -1.90 -3.20 116.57 115.14 2ri4 h LYS 82 Ca -0.04 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 2ri4 h LYS 82 Cb 1.71 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.98 2ri4 h LYS 82 CO 0.11 1.06 0.00 0.41 -0.57 0.00 0.00 179.45 180.46 2ri4 n GLY 83 N -0.17 -2.38 0.00 3.86 0.00 -1.25 -3.11 105.19 102.14 2ri4 n GLY 83 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2ri4 n GLY 83 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ri4 n THR 84 N 0.00 0.00 0.11 2.61 -2.24 -1.20 0.56 114.28 114.13 2ri4 n THR 84 Ca 0.00 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 2ri4 n THR 84 Cb 0.00 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.31 2ri4 n THR 84 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2ri4 h PHE 85 N 0.00 0.00 -0.01 4.78 0.04 -1.74 -3.38 116.94 116.62 2ri4 h PHE 85 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2ri4 h PHE 85 Cb 0.00 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 2ri4 h PHE 85 CO 0.00 0.74 -0.01 0.00 -0.60 0.00 0.00 178.31 178.44 2ri4 n ALA 86 N -2.40 -0.01 0.69 2.45 0.00 0.19 0.11 120.51 121.55 2ri4 n ALA 86 Ca -0.01 0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2ri4 n ALA 86 Cb 0.71 0.02 0.06 0.00 0.00 0.00 0.00 19.45 20.24 2ri4 n ALA 86 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2ri4 n GLN 87 N -2.61 0.34 0.00 0.00 7.27 -1.26 -0.59 117.38 120.53 2ri4 n GLN 87 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2ri4 n GLN 87 Cb 0.00 -1.09 0.00 0.00 2.41 0.00 0.00 30.24 31.56 2ri4 n GLN 87 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2ri4 n LEU 88 N -0.59 2.25 -0.02 1.69 4.77 0.31 -4.23 117.00 121.18 2ri4 n LEU 88 Ca 0.01 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.89 2ri4 n LEU 88 Cb 0.01 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 2ri4 n LEU 88 CO 0.01 0.37 0.63 -1.28 -1.33 0.00 0.00 177.39 175.79 2ri4 h SER 89 N 0.00 -1.11 -0.92 -1.43 0.87 -0.31 -0.42 113.55 110.23 2ri4 h SER 89 Ca 0.00 0.16 0.18 0.00 -1.23 0.00 0.00 61.79 60.90 2ri4 h SER 89 Cb 0.97 0.47 -0.17 0.00 -0.44 0.00 0.00 62.40 63.22 2ri4 h SER 89 CO 0.00 -0.37 -0.24 -0.08 -0.53 0.00 0.00 176.83 175.60 2ri4 h GLU 90 N -0.40 -0.00 -0.89 2.24 4.81 -1.09 0.15 114.58 119.39 2ri4 h GLU 90 Ca 0.10 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 2ri4 h GLU 90 Cb 0.57 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.91 2ri4 h GLU 90 CO -0.40 -0.00 0.50 1.25 -0.73 0.00 0.00 179.01 179.63 2ri4 h LEU 91 N -0.00 1.10 0.13 1.64 5.85 -1.59 -2.00 115.31 120.43 2ri4 h LEU 91 Ca 0.43 -0.09 -0.29 0.00 0.84 0.00 0.00 57.88 58.77 2ri4 h LEU 91 Cb 0.67 -0.28 0.02 0.00 0.37 0.00 0.00 40.66 41.44 2ri4 h LEU 91 CO -0.95 0.87 -1.28 0.45 -0.34 0.00 0.00 178.44 177.20 2ri4 h HIS 92 N 1.24 0.80 0.15 1.25 3.86 0.83 -1.87 115.15 121.41 2ri4 h HIS 92 Ca 0.32 -0.54 -0.35 0.00 -1.16 0.00 0.00 60.37 58.63 2ri4 h HIS 92 Cb 0.01 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 2ri4 h HIS 92 CO 0.01 1.40 -1.85 0.00 0.86 0.00 0.00 177.93 178.35 2ri4 n ASP 94 N -3.51 2.02 0.00 0.00 8.00 -0.75 -2.45 116.55 119.86 2ri4 n ASP 94 Ca -0.27 -2.81 0.00 0.00 0.71 0.00 0.00 54.79 52.42 2ri4 n ASP 94 Cb 1.06 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.81 2ri4 n ASP 94 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2ri4 n LYS 95 N -1.15 1.16 0.00 -1.24 3.00 -0.76 -4.85 118.16 114.32 2ri4 n LYS 95 Ca 0.12 -0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 2ri4 n LYS 95 Cb 0.60 -0.38 0.00 0.00 0.00 0.00 0.00 35.03 35.25 2ri4 n LYS 95 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2ri4 n LEU 96 N -0.19 1.48 -2.82 3.14 4.77 -0.88 -4.99 117.00 117.52 2ri4 n LEU 96 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 2ri4 n LEU 96 Cb 0.07 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.22 2ri4 n LEU 96 CO 0.00 0.25 0.18 1.41 -1.33 0.00 0.00 177.39 177.89 2ri4 n HIS 97 N -1.97 -2.12 -2.36 -1.77 8.25 -0.99 -4.95 115.22 109.30 2ri4 n HIS 97 Ca 0.00 0.76 -0.43 0.00 -0.26 0.00 0.00 57.72 57.79 2ri4 n HIS 97 Cb 0.28 -4.06 -0.02 0.00 1.12 0.00 0.00 29.99 27.31 2ri4 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2ri4 s VAL 98 N -3.24 4.15 0.34 1.59 1.01 0.79 -4.99 120.40 120.05 2ri4 s VAL 98 Ca 0.40 1.37 -0.29 0.00 0.00 0.00 0.00 61.98 63.46 2ri4 s VAL 98 Cb -0.18 -3.96 -0.10 0.00 0.00 0.00 0.00 36.38 32.14 2ri4 s VAL 98 CO 0.55 -0.21 1.34 -0.62 0.00 0.00 0.00 175.10 176.16 2ri4 s ASP 99 N 2.42 6.69 0.24 3.32 -1.08 -1.26 -4.58 116.67 122.42 2ri4 s ASP 99 Ca 0.58 2.75 -0.07 0.00 -0.52 0.00 0.00 52.55 55.29 2ri4 s ASP 99 Cb -0.22 -2.65 0.42 0.00 -1.46 0.00 0.00 42.92 39.01 2ri4 s ASP 99 CO 0.19 -0.60 1.65 -0.65 0.52 0.00 0.00 175.17 176.27 2ri4 h PRO 100 N 3.36 0.12 0.00 4.34 0.11 -1.97 -2.15 132.00 135.82 2ri4 h PRO 100 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2ri4 h PRO 100 Cb 1.23 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2ri4 h PRO 100 CO 0.66 0.08 0.42 1.49 -0.21 0.00 0.00 178.00 180.44 2ri4 h GLU 101 N 0.13 0.00 0.00 1.05 4.57 -1.98 0.33 114.58 118.67 2ri4 h GLU 101 Ca 0.40 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.50 2ri4 h GLU 101 Cb 0.70 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 2ri4 h GLU 101 CO -0.62 0.00 -0.60 -0.91 -1.18 0.00 0.00 179.01 175.70 2ri4 h ASN 102 N 0.00 0.00 -0.54 1.04 2.35 -1.76 -2.22 115.58 114.44 2ri4 h ASN 102 Ca 0.00 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 2ri4 h ASN 102 Cb 0.85 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.20 2ri4 h ASN 102 CO 0.00 0.37 0.08 -0.26 -1.65 0.00 0.00 177.43 175.97 2ri4 h PHE 103 N 0.00 0.96 -0.19 1.19 0.04 -0.49 -1.97 116.94 116.49 2ri4 h PHE 103 Ca -0.03 -0.14 0.04 0.00 2.80 0.00 0.00 57.97 60.65 2ri4 h PHE 103 Cb 1.31 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 39.15 2ri4 h PHE 103 CO 0.00 0.86 -0.08 0.87 -0.60 0.00 0.00 178.31 179.36 2ri4 h LYS 104 N 0.79 -0.05 -0.00 1.51 1.57 -1.51 -0.13 116.57 118.75 2ri4 h LYS 104 Ca 0.16 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2ri4 h LYS 104 Cb 0.42 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 2ri4 h LYS 104 CO 0.01 -0.04 0.00 -0.07 -0.57 0.00 0.00 179.45 178.79 2ri4 h LEU 105 N -0.05 0.00 -2.33 2.94 3.38 -1.31 0.38 115.31 118.32 2ri4 h LEU 105 Ca 0.10 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2ri4 h LEU 105 Cb 0.21 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2ri4 h LEU 105 CO -0.23 0.06 -0.03 0.25 0.09 0.00 0.00 178.44 178.59 2ri4 h LEU 106 N -0.06 0.00 -0.19 1.67 5.85 -1.29 0.70 115.31 121.99 2ri4 h LEU 106 Ca 0.00 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.51 2ri4 h LEU 106 Cb 0.06 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 2ri4 h LEU 106 CO -0.00 0.03 -0.94 1.23 -0.34 0.00 0.00 178.44 178.42 2ri4 h GLY 107 N 0.19 0.20 0.23 3.75 0.00 0.41 -3.18 103.07 104.65 2ri4 h GLY 107 Ca -0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 2ri4 h GLY 107 CO 0.00 0.34 -0.02 3.43 0.00 0.00 0.00 176.54 180.30 2ri4 h ASN 108 N 0.09 -0.04 -0.82 0.19 -0.26 0.18 -3.23 115.58 111.69 2ri4 h ASN 108 Ca -0.05 -0.67 0.19 0.00 -0.56 0.00 0.00 56.30 55.22 2ri4 h ASN 108 Cb 1.60 0.01 -0.12 0.00 -1.06 0.00 0.00 38.32 38.75 2ri4 h ASN 108 CO 0.14 0.69 0.26 0.58 -1.06 0.00 0.00 177.43 178.04 2ri4 h VAL 109 N -0.82 0.47 0.68 2.81 2.07 0.16 -1.96 116.25 119.66 2ri4 h VAL 109 Ca -0.00 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 2ri4 h VAL 109 Cb 0.70 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2ri4 h VAL 109 CO 0.01 0.06 -0.46 0.25 0.02 0.00 0.00 177.57 177.44 2ri4 h LEU 110 N 0.31 -1.18 -0.75 2.57 7.12 -1.65 -1.24 115.31 120.48 2ri4 h LEU 110 Ca 0.49 0.07 0.17 0.00 0.13 0.00 0.00 57.88 58.74 2ri4 h LEU 110 Cb 0.89 0.36 -0.13 0.00 -0.53 0.00 0.00 40.66 41.25 2ri4 h LEU 110 CO -0.54 -0.69 0.04 0.58 -0.13 0.00 0.00 178.44 177.70 2ri4 h VAL 111 N -1.09 0.37 -0.29 1.05 2.07 -1.39 0.24 116.25 117.22 2ri4 h VAL 111 Ca -0.09 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 67.46 2ri4 h VAL 111 Cb 0.89 0.23 -0.08 0.00 -1.52 0.00 0.00 31.29 30.81 2ri4 h VAL 111 CO 0.06 0.02 -0.30 0.58 0.02 0.00 0.00 177.57 177.95 2ri4 h VAL 112 N 0.13 0.28 -0.44 2.57 2.07 -1.17 -0.07 116.25 119.61 2ri4 h VAL 112 Ca 0.42 0.00 0.09 0.00 0.82 0.00 0.00 66.70 68.03 2ri4 h VAL 112 Cb 0.74 0.28 -0.09 0.00 -1.52 0.00 0.00 31.29 30.69 2ri4 h VAL 112 CO -0.63 0.00 -0.24 0.58 0.02 0.00 0.00 177.57 177.30 2ri4 h VAL 113 N -0.29 0.33 -0.80 2.57 2.07 0.42 -1.59 116.25 118.97 2ri4 h VAL 113 Ca 0.14 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.78 2ri4 h VAL 113 Cb 0.52 0.33 -0.08 0.00 -1.52 0.00 0.00 31.29 30.55 2ri4 h VAL 113 CO -0.45 0.00 0.42 -0.07 0.02 0.00 0.00 177.57 177.49 2ri4 h LEU 114 N -0.15 0.55 -2.10 2.57 3.38 0.07 -0.72 115.31 118.91 2ri4 h LEU 114 Ca 0.21 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 2ri4 h LEU 114 Cb 0.48 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2ri4 h LEU 114 CO -0.54 0.29 -0.08 0.00 0.09 0.00 0.00 178.44 178.20 2ri4 h ALA 115 N 1.49 1.45 0.00 1.53 0.00 -0.06 0.93 119.26 124.60 2ri4 h ALA 115 Ca 0.41 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2ri4 h ALA 115 Cb 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2ri4 h ALA 115 CO -0.30 0.10 -1.32 -2.13 0.00 0.00 0.00 179.25 175.60 2ri4 n ARG 116 N -3.83 0.43 0.01 0.00 0.63 -0.53 -1.10 116.66 112.26 2ri4 n ARG 116 Ca -0.02 -0.04 -0.16 0.00 -0.92 0.00 0.00 57.85 56.71 2ri4 n ARG 116 Cb 0.17 -1.60 -0.14 0.00 0.45 0.00 0.00 32.46 31.34 2ri4 n ARG 116 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2ri4 h HIS 117 N 0.00 0.30 -0.00 -0.14 3.86 0.24 -3.41 115.15 116.01 2ri4 h HIS 117 Ca 0.00 -0.22 0.00 0.00 -1.16 0.00 0.00 60.37 58.99 2ri4 h HIS 117 Cb 0.84 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.30 2ri4 h HIS 117 CO 0.00 1.42 -0.41 0.72 0.86 0.00 0.00 177.93 180.53 2ri4 n HIS 118 N -3.32 0.00 0.00 2.45 8.25 0.18 -5.05 115.22 117.73 2ri4 n HIS 118 Ca -0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 2ri4 n HIS 118 Cb 1.05 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.16 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 1.97 0.43 -1.41 0.00 -0.26 -0.99 105.19 106.11 2ri4 n GLY 119 Ca 0.02 0.50 0.25 0.00 0.00 0.00 0.00 46.02 46.79 2ri4 n GLY 119 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2ri4 h SER 120 N 0.00 0.00 1.56 1.61 4.64 -1.97 0.17 113.55 119.56 2ri4 h SER 120 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ri4 h SER 120 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2ri4 h SER 120 CO 0.00 0.00 -0.38 -0.33 -0.87 0.00 0.00 176.83 175.25 2ri4 h GLU 121 N 0.00 0.00 -4.44 4.77 4.39 -1.45 -3.34 114.58 114.50 2ri4 h GLU 121 Ca 0.33 0.00 -0.75 0.00 0.34 0.00 0.00 59.36 59.29 2ri4 h GLU 121 Cb 1.44 0.00 -0.19 0.00 -0.10 0.00 0.00 28.75 29.90 2ri4 h GLU 121 CO -0.00 0.00 1.29 0.34 -1.16 0.00 0.00 179.01 179.48 2ri4 n PHE 122 N -2.84 4.78 -1.39 4.33 7.35 0.61 -4.96 117.46 125.33 2ri4 n PHE 122 Ca 0.03 -3.37 -0.31 0.00 -0.76 0.00 0.00 57.45 53.04 2ri4 n PHE 122 Cb 0.53 -2.09 0.08 0.00 0.35 0.00 0.00 39.48 38.34 2ri4 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2ri4 s THR 123 N 0.99 3.49 0.60 -2.13 -4.23 -1.26 -4.81 115.64 108.30 2ri4 s THR 123 Ca 0.41 0.51 0.31 0.00 -1.18 0.00 0.00 61.69 61.73 2ri4 s THR 123 Cb -0.02 -3.05 0.37 0.00 1.34 0.00 0.00 72.50 71.13 2ri4 s THR 123 CO -0.01 -0.61 2.16 -0.65 -0.54 0.00 0.00 174.62 174.97 2ri4 h PRO 124 N -0.90 0.00 0.00 3.99 0.11 -1.94 -1.97 132.00 131.30 2ri4 h PRO 124 Ca -0.44 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 2ri4 h PRO 124 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2ri4 h PRO 124 CO 0.53 0.00 -0.00 1.25 -0.21 0.00 0.00 178.00 179.57 2ri4 h LEU 125 N 0.00 -0.01 -1.73 2.35 6.46 -1.99 -2.78 115.31 117.61 2ri4 h LEU 125 Ca 0.05 -0.80 0.07 0.00 -0.12 0.00 0.00 57.88 57.08 2ri4 h LEU 125 Cb 0.33 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.23 2ri4 h LEU 125 CO -0.00 0.81 0.31 -0.07 -0.62 0.00 0.00 178.44 178.87 2ri4 h LEU 126 N -0.83 0.29 0.43 2.25 -0.00 -1.80 -1.26 115.31 114.38 2ri4 h LEU 126 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.86 2ri4 h LEU 126 Cb 0.81 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.41 2ri4 h LEU 126 CO 0.00 0.19 -0.21 -0.61 -0.00 0.00 0.00 178.44 177.81 2ri4 h GLN 127 N 0.33 -0.56 -0.63 1.13 4.15 -1.46 -0.98 115.11 117.10 2ri4 h GLN 127 Ca 0.20 0.04 0.16 0.00 0.77 0.00 0.00 58.65 59.82 2ri4 h GLN 127 Cb 0.38 0.13 -0.12 0.00 0.21 0.00 0.00 27.48 28.08 2ri4 h GLN 127 CO -0.05 -0.37 -0.03 0.00 -1.93 0.00 0.00 178.83 176.45 2ri4 n ALA 128 N -2.71 0.27 0.15 3.38 0.00 -1.01 1.00 120.51 121.59 2ri4 n ALA 128 Ca -0.07 0.68 -0.06 0.00 0.00 0.00 0.00 53.44 53.98 2ri4 n ALA 128 Cb 0.23 -0.47 -0.03 0.00 0.00 0.00 0.00 19.45 19.18 2ri4 n ALA 128 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ri4 h GLU 129 N 0.00 -0.39 -1.24 0.00 3.07 -1.20 -2.32 114.58 112.50 2ri4 h GLU 129 Ca 0.36 0.03 0.36 0.00 -0.50 0.00 0.00 59.36 59.60 2ri4 h GLU 129 Cb 0.69 0.09 -0.05 0.00 -0.84 0.00 0.00 28.75 28.63 2ri4 h GLU 129 CO -0.60 -0.26 0.89 0.74 -1.40 0.00 0.00 179.01 178.38 2ri4 h PHE 130 N -0.51 0.05 -0.07 4.33 0.04 0.98 4.51 116.94 126.27 2ri4 h PHE 130 Ca -0.04 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.62 2ri4 h PHE 130 Cb 0.31 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 2ri4 h PHE 130 CO 0.10 -0.00 -0.45 0.37 -0.60 0.00 0.00 178.31 177.73 2ri4 h GLN 131 N 0.02 0.17 -0.03 1.51 5.75 0.63 0.26 115.11 123.42 2ri4 h GLN 131 Ca 0.60 -0.09 -0.00 0.00 -0.15 0.00 0.00 58.65 59.01 2ri4 h GLN 131 Cb 2.35 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 30.90 2ri4 h GLN 131 CO -0.03 0.59 0.02 0.87 -2.65 0.00 0.00 178.83 177.63 2ri4 h LYS 132 N 0.14 0.04 0.00 1.69 1.79 0.94 -3.07 116.57 118.10 2ri4 h LYS 132 Ca 0.01 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2ri4 h LYS 132 Cb 0.85 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 2ri4 h LYS 132 CO 0.07 0.10 0.00 0.28 -1.08 0.00 0.00 179.45 178.82 2ri4 n VAL 133 N -5.03 0.00 -0.28 0.50 0.31 -0.27 -1.78 118.33 111.77 2ri4 n VAL 133 Ca -0.07 1.16 0.07 0.00 -0.01 0.00 0.00 64.34 65.49 2ri4 n VAL 133 Cb 0.06 -2.03 0.18 0.00 -0.91 0.00 0.00 33.84 31.14 2ri4 n VAL 133 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 2ri4 h VAL 134 N 0.00 0.25 -0.83 2.52 -1.51 -0.70 2.90 116.25 118.87 2ri4 h VAL 134 Ca 0.00 -0.03 0.21 0.00 -1.23 0.00 0.00 66.70 65.65 2ri4 h VAL 134 Cb 0.00 0.16 -0.14 0.00 -2.13 0.00 0.00 31.29 29.19 2ri4 h VAL 134 CO 0.00 0.01 0.15 0.00 -1.23 0.00 0.00 177.57 176.50 2ri4 h ALA 135 N 1.79 1.09 0.29 5.19 0.00 -1.50 0.80 119.26 126.91 2ri4 h ALA 135 Ca 0.46 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.58 2ri4 h ALA 135 Cb 0.83 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2ri4 h ALA 135 CO -0.75 -0.44 -0.14 0.78 0.00 0.00 0.00 179.25 178.70 2ri4 h GLY 136 N 0.18 -0.44 -0.96 0.00 0.00 0.60 0.22 103.07 102.66 2ri4 h GLY 136 Ca 0.50 0.17 0.31 0.00 0.00 0.00 0.00 47.33 48.31 2ri4 h GLY 136 CO -0.66 -0.16 0.20 -0.62 0.00 0.00 0.00 176.54 175.30 2ri4 n VAL 137 N -3.09 -0.40 0.16 4.60 0.31 -0.40 -0.58 118.33 118.92 2ri4 n VAL 137 Ca -0.05 2.04 0.02 0.00 -0.01 0.00 0.00 64.34 66.35 2ri4 n VAL 137 Cb 0.16 -3.10 0.23 0.00 -0.91 0.00 0.00 33.84 30.21 2ri4 n VAL 137 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ri4 h ALA 138 N 1.91 0.92 0.00 3.52 0.00 0.85 -2.07 119.26 124.40 2ri4 h ALA 138 Ca 0.66 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 2ri4 h ALA 138 Cb 1.54 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 2ri4 h ALA 138 CO -0.84 0.63 -0.60 -0.91 0.00 0.00 0.00 179.25 177.54 2ri4 h ASN 139 N 0.00 0.00 1.14 0.00 2.35 0.13 -3.14 115.58 116.06 2ri4 h ASN 139 Ca -0.01 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 2ri4 h ASN 139 Cb 1.06 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.42 2ri4 h ASN 139 CO 0.07 0.60 -0.41 0.00 -1.65 0.00 0.00 177.43 176.03 2ri4 h ALA 140 N 1.40 0.85 0.18 -0.83 0.00 -0.48 -2.65 119.26 117.74 2ri4 h ALA 140 Ca -0.01 -0.37 -0.30 0.00 0.00 0.00 0.00 54.91 54.23 2ri4 h ALA 140 Cb 1.06 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.80 2ri4 h ALA 140 CO 0.08 0.51 -1.44 -0.07 0.00 0.00 0.00 179.25 178.33 2ri4 h LEU 141 N 0.00 0.58 -0.30 0.00 -0.00 -1.51 -3.36 115.31 110.72 2ri4 h LEU 141 Ca -0.00 -0.91 0.01 0.00 -0.00 0.00 0.00 57.88 56.98 2ri4 h LEU 141 Cb 1.09 -0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 41.54 2ri4 h LEU 141 CO 0.05 1.66 0.17 0.00 -0.00 0.00 0.00 178.44 180.32 2ri4 h ALA 142 N 0.07 0.37 0.00 1.53 0.00 -1.54 -3.39 119.26 116.30 2ri4 h ALA 142 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2ri4 h ALA 142 Cb 1.95 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.66 2ri4 h ALA 142 CO 0.16 -0.21 0.00 1.58 0.00 0.00 0.00 179.25 180.78 2ri4 n HIS 143 N -4.93 0.00 0.00 0.00 -0.00 -1.00 -1.93 115.22 107.35 2ri4 n HIS 143 Ca -0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.17 2ri4 n HIS 143 Cb 0.06 -0.07 0.00 0.00 -0.12 0.00 0.00 29.99 29.86 2ri4 n HIS 143 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2ri4 n ARG 144 N -2.21 0.00 -0.17 1.57 5.12 -1.26 0.23 116.66 119.94 2ri4 n ARG 144 Ca 0.00 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 55.93 2ri4 n ARG 144 Cb 0.00 0.00 0.04 0.00 -1.16 0.00 0.00 32.46 31.34 2ri4 n ARG 144 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2ri4 n TYR 145 N -0.95 0.09 1.56 -1.55 4.01 -0.81 -5.16 117.16 114.35 2ri4 n TYR 145 Ca 0.00 0.56 0.13 0.00 -0.16 0.00 0.00 57.90 58.43 2ri4 n TYR 145 Cb 0.00 -0.72 0.74 0.00 -0.31 0.00 0.00 39.34 39.05 2ri4 n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12