#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q91 s ALA 35 N 0.00 3.60 0.10 5.13 0.00 -1.26 -4.97 121.76 124.36 1q91 s ALA 35 Ca 0.00 -0.21 -0.30 0.00 0.00 0.00 0.00 51.96 51.44 1q91 s ALA 35 Cb 0.00 -2.45 -0.06 0.00 0.00 0.00 0.00 23.12 20.61 1q91 s ALA 35 CO 0.00 0.49 1.04 -1.17 0.00 0.00 0.00 175.76 176.12 1q91 s LEU 36 N -2.16 4.45 -0.19 0.00 2.96 -0.05 -4.84 118.68 118.86 1q91 s LEU 36 Ca 0.39 1.88 -0.04 0.00 -0.22 0.00 0.00 54.13 56.14 1q91 s LEU 36 Cb -0.14 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.94 1q91 s LEU 36 CO 0.19 -0.21 -0.03 -0.60 -1.32 0.00 0.00 176.35 174.39 1q91 s ARG 37 N 0.27 3.55 -0.12 1.98 3.52 -1.26 0.06 118.95 126.95 1q91 s ARG 37 Ca 0.50 -0.56 0.03 0.00 -0.13 0.00 0.00 55.73 55.57 1q91 s ARG 37 Cb -0.25 -2.99 0.01 0.00 -1.56 0.00 0.00 34.95 30.15 1q91 s ARG 37 CO 0.31 0.03 -0.21 0.08 -0.81 0.00 0.00 175.30 174.69 1q91 s VAL 38 N 0.92 1.94 -0.23 7.11 1.01 0.23 -0.96 120.40 130.43 1q91 s VAL 38 Ca 0.00 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 60.94 1q91 s VAL 38 Cb -0.14 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 1q91 s VAL 38 CO 0.01 0.53 0.22 -0.76 0.00 0.00 0.00 175.10 175.10 1q91 s LEU 39 N 0.67 4.13 -0.19 3.92 1.43 0.63 -1.36 118.68 127.91 1q91 s LEU 39 Ca -0.11 0.22 -0.02 0.00 -1.03 0.00 0.00 54.13 53.18 1q91 s LEU 39 Cb -0.16 -2.20 -0.01 0.00 0.03 0.00 0.00 46.19 43.85 1q91 s LEU 39 CO 0.02 0.04 -0.09 -0.69 0.23 0.00 0.00 176.35 175.86 1q91 s VAL 40 N 1.07 3.08 0.75 -1.59 1.01 0.88 -0.97 120.40 124.63 1q91 s VAL 40 Ca 0.10 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.35 1q91 s VAL 40 Cb -0.14 -2.36 0.05 0.00 0.00 0.00 0.00 36.38 33.93 1q91 s VAL 40 CO 0.05 0.47 1.13 -0.62 0.00 0.00 0.00 175.10 176.12 1q91 s ASP 41 N 1.17 4.36 0.00 3.32 2.15 -0.34 -1.31 116.67 126.03 1q91 s ASP 41 Ca 0.02 2.04 0.00 0.00 0.43 0.00 0.00 52.55 55.04 1q91 s ASP 41 Cb -0.14 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 1q91 s ASP 41 CO -0.03 -2.14 0.00 0.80 -0.17 0.00 0.00 175.17 173.63 1q91 n MET 42 N -3.15 0.00 -1.87 4.34 0.00 -1.26 -3.67 117.12 111.51 1q91 n MET 42 Ca 0.11 0.03 -0.42 0.00 -0.00 0.00 0.00 57.70 57.42 1q91 n MET 42 Cb 0.52 -0.43 -0.03 0.00 0.00 0.00 0.00 33.22 33.28 1q91 n MET 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1q91 s ASP 43 N -3.27 6.53 0.00 6.12 1.01 -1.26 0.06 116.67 125.86 1q91 s ASP 43 Ca 0.00 2.67 0.00 0.00 0.71 0.00 0.00 52.55 55.93 1q91 s ASP 43 Cb 0.00 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.34 1q91 s ASP 43 CO 0.00 -0.88 0.00 0.61 0.21 0.00 0.00 175.17 175.11 1q91 n GLY 44 N 3.87 1.51 1.34 0.21 0.00 0.49 -4.72 105.19 107.89 1q91 n GLY 44 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1q91 n GLY 44 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1q91 n VAL 45 N -2.00 0.00 -0.12 1.61 0.31 -0.88 -4.74 118.33 112.51 1q91 n VAL 45 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.14 1q91 n VAL 45 Cb 0.00 -0.98 -0.10 0.00 -0.91 0.00 0.00 33.84 31.85 1q91 n VAL 45 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1q91 n LEU 46 N -2.71 2.51 -4.56 7.52 4.77 0.11 -4.67 117.00 119.96 1q91 n LEU 46 Ca 0.00 0.03 -0.34 0.00 -0.03 0.00 0.00 56.01 55.67 1q91 n LEU 46 Cb 0.27 -0.76 -0.11 0.00 -2.33 0.00 0.00 43.42 40.49 1q91 n LEU 46 CO 0.00 0.74 -0.35 0.00 -1.33 0.00 0.00 177.39 176.45 1q91 s ALA 47 N -2.44 3.06 -1.31 -1.18 0.00 -0.23 -0.99 121.76 118.66 1q91 s ALA 47 Ca -0.31 -0.84 -0.18 0.00 0.00 0.00 0.00 51.96 50.63 1q91 s ALA 47 Cb 0.10 -1.44 0.07 0.00 0.00 0.00 0.00 23.12 21.84 1q91 s ALA 47 CO 0.48 0.40 1.78 -3.47 0.00 0.00 0.00 175.76 174.96 1q91 n ASP 48 N 2.84 4.85 -0.11 0.00 2.03 0.57 -0.38 116.55 126.34 1q91 n ASP 48 Ca -0.18 -2.91 -0.10 0.00 0.52 0.00 0.00 54.79 52.12 1q91 n ASP 48 Cb 0.53 -1.74 -0.02 0.00 -0.72 0.00 0.00 41.12 39.17 1q91 n ASP 48 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1q91 h PHE 49 N 7.43 0.51 -0.22 -0.67 3.04 -1.92 -1.10 116.94 124.00 1q91 h PHE 49 Ca 0.46 -0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.36 1q91 h PHE 49 Cb 0.85 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 39.20 1q91 h PHE 49 CO 1.43 0.48 0.10 0.93 -2.02 0.00 0.00 178.31 179.23 1q91 h GLU 50 N 0.39 0.32 -0.59 1.11 4.39 -1.99 -0.09 114.58 118.12 1q91 h GLU 50 Ca 0.11 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.66 1q91 h GLU 50 Cb 0.18 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1q91 h GLU 50 CO -0.01 0.34 -0.04 0.78 -1.16 0.00 0.00 179.01 178.93 1q91 h GLY 51 N 0.22 1.16 1.03 -3.84 0.00 -1.96 -1.87 103.07 97.82 1q91 h GLY 51 Ca 0.08 -0.88 -0.08 0.00 0.00 0.00 0.00 47.33 46.44 1q91 h GLY 51 CO -0.01 0.81 0.02 -1.33 0.00 0.00 0.00 176.54 176.03 1q91 h GLY 52 N 0.97 1.03 0.96 4.60 0.00 -1.08 -1.82 103.07 107.73 1q91 h GLY 52 Ca 0.16 -0.74 -0.02 0.00 0.00 0.00 0.00 47.33 46.74 1q91 h GLY 52 CO 0.04 0.68 -0.16 -2.75 0.00 0.00 0.00 176.54 174.36 1q91 h PHE 53 N 0.83 -0.40 -0.52 5.60 3.57 -0.89 -2.16 116.94 122.97 1q91 h PHE 53 Ca 0.16 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.70 1q91 h PHE 53 Cb 0.51 0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.34 1q91 h PHE 53 CO 0.04 -0.22 0.25 1.25 -2.23 0.00 0.00 178.31 177.40 1q91 h LEU 54 N -0.48 0.35 -0.28 0.59 5.85 -1.28 0.15 115.31 120.21 1q91 h LEU 54 Ca -0.04 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1q91 h LEU 54 Cb 0.36 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1q91 h LEU 54 CO 0.07 0.24 0.17 -0.09 -0.34 0.00 0.00 178.44 178.49 1q91 h ARG 55 N 0.48 0.34 0.00 1.25 2.43 -1.27 -1.65 114.38 115.96 1q91 h ARG 55 Ca 0.23 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.27 1q91 h ARG 55 Cb 0.16 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1q91 h ARG 55 CO -0.18 0.22 -0.54 0.87 -1.51 0.00 0.00 179.97 178.84 1q91 h LYS 56 N 0.35 0.00 -0.18 0.20 1.57 -1.04 -2.49 116.57 114.98 1q91 h LYS 56 Ca 0.11 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 1q91 h LYS 56 Cb -0.02 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1q91 h LYS 56 CO -0.04 0.54 -0.16 0.35 -0.57 0.00 0.00 179.45 179.57 1q91 h PHE 57 N 0.00 0.50 -0.21 -1.35 3.04 -0.48 -1.81 116.94 116.62 1q91 h PHE 57 Ca -0.01 -0.15 -0.07 0.00 3.98 0.00 0.00 57.97 61.73 1q91 h PHE 57 Cb 1.15 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 39.54 1q91 h PHE 57 CO 0.00 0.78 -0.16 0.00 -2.02 0.00 0.00 178.31 176.91 1q91 h ARG 58 N 0.08 0.36 -0.14 1.11 3.08 -1.30 0.22 114.38 117.79 1q91 h ARG 58 Ca 0.03 -0.10 -0.19 0.00 0.07 0.00 0.00 59.98 59.78 1q91 h ARG 58 Cb 0.69 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1q91 h ARG 58 CO 0.04 0.52 -0.70 0.00 -1.07 0.00 0.00 179.97 178.76 1q91 h ALA 59 N 1.50 0.51 0.01 0.04 0.00 -1.38 -2.53 119.26 117.41 1q91 h ALA 59 Ca 0.06 -0.58 -0.26 0.00 0.00 0.00 0.00 54.91 54.13 1q91 h ALA 59 Cb 0.49 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1q91 h ALA 59 CO 0.03 0.72 -1.40 -0.09 0.00 0.00 0.00 179.25 178.51 1q91 h ARG 60 N 0.42 0.03 -2.18 0.00 2.43 -1.12 -3.39 114.38 110.58 1q91 h ARG 60 Ca -0.03 -0.05 -0.57 0.00 -0.81 0.00 0.00 59.98 58.52 1q91 h ARG 60 Cb 1.29 0.02 -0.41 0.00 -0.42 0.00 0.00 29.97 30.45 1q91 h ARG 60 CO 0.13 0.78 -0.78 1.19 -1.51 0.00 0.00 179.97 179.78 1q91 n PHE 61 N -3.22 2.75 -0.02 2.20 3.72 0.75 -4.94 117.46 118.70 1q91 n PHE 61 Ca -0.10 -3.96 0.13 0.00 -0.05 0.00 0.00 57.45 53.46 1q91 n PHE 61 Cb 1.00 -0.48 0.55 0.00 -0.94 0.00 0.00 39.48 39.61 1q91 n PHE 61 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1q91 h PRO 62 N 3.43 0.28 -0.62 -1.08 0.13 -1.65 -2.18 132.00 130.30 1q91 h PRO 62 Ca 0.14 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1q91 h PRO 62 Cb 0.67 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.74 1q91 h PRO 62 CO 0.73 0.19 0.00 -0.25 -0.23 0.00 0.00 178.00 178.43 1q91 n ASP 63 N -4.46 3.42 -4.68 1.44 8.00 -1.26 -4.90 116.55 114.10 1q91 n ASP 63 Ca 0.08 -2.34 -0.29 0.00 0.71 0.00 0.00 54.79 52.94 1q91 n ASP 63 Cb 0.36 -0.49 -0.08 0.00 -0.02 0.00 0.00 41.12 40.89 1q91 n ASP 63 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1q91 s GLN 64 N -1.80 2.52 0.52 -1.24 -1.52 -0.82 -5.11 119.66 112.21 1q91 s GLN 64 Ca 0.34 -0.90 -0.19 0.00 -1.95 0.00 0.00 55.36 52.66 1q91 s GLN 64 Cb 0.22 -2.50 -0.07 0.00 -0.22 0.00 0.00 33.01 30.44 1q91 s GLN 64 CO 0.15 0.52 1.05 -1.25 -0.25 0.00 0.00 175.29 175.51 1q91 s PRO 65 N -2.47 3.62 0.34 2.91 0.04 -1.26 -5.04 135.00 133.15 1q91 s PRO 65 Ca 0.26 1.32 0.03 0.00 0.04 0.00 0.00 61.00 62.66 1q91 s PRO 65 Cb -0.11 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 1q91 s PRO 65 CO 0.18 -0.58 0.13 -0.59 0.04 0.00 0.00 177.00 176.19 1q91 s PHE 66 N -2.12 1.72 -0.24 0.56 -0.12 -1.26 -5.04 117.98 111.47 1q91 s PHE 66 Ca 0.66 -1.28 -0.01 0.00 -0.05 0.00 0.00 56.93 56.25 1q91 s PHE 66 Cb -0.17 -1.02 0.03 0.00 -0.63 0.00 0.00 43.02 41.23 1q91 s PHE 66 CO 0.26 -0.37 -0.07 0.42 -0.05 0.00 0.00 175.22 175.41 1q91 s ILE 67 N -3.43 2.80 0.51 -4.49 1.01 -1.26 -5.09 121.20 111.25 1q91 s ILE 67 Ca 0.32 -1.05 -0.23 0.00 0.00 0.00 0.00 60.65 59.69 1q91 s ILE 67 Cb 0.05 -2.42 -0.06 0.00 0.01 0.00 0.00 42.46 40.04 1q91 s ILE 67 CO 0.16 0.21 1.35 0.00 0.00 0.00 0.00 174.94 176.66 1q91 s ALA 68 N 1.31 2.94 0.37 9.38 0.00 -1.26 -4.85 121.76 129.67 1q91 s ALA 68 Ca -0.00 1.31 0.08 0.00 0.00 0.00 0.00 51.96 53.36 1q91 s ALA 68 Cb -0.17 -3.55 0.82 0.00 0.00 0.00 0.00 23.12 20.23 1q91 s ALA 68 CO -0.05 -1.23 1.94 -0.07 0.00 0.00 0.00 175.76 176.35 1q91 h LEU 69 N 1.76 0.60 -2.45 0.00 3.38 -1.98 0.13 115.31 116.76 1q91 h LEU 69 Ca -0.51 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 1q91 h LEU 69 Cb 1.28 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1q91 h LEU 69 CO 0.59 0.36 -0.00 -0.33 0.09 0.00 0.00 178.44 179.14 1q91 h GLU 70 N 0.67 0.00 -0.41 1.13 3.07 -1.94 -1.64 114.58 115.46 1q91 h GLU 70 Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 1q91 h GLU 70 Cb 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 1q91 h GLU 70 CO -0.13 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.24 1q91 n ASP 71 N -3.85 3.44 -4.74 1.42 8.00 0.42 -4.97 116.55 116.27 1q91 n ASP 71 Ca -0.03 -1.97 -0.41 0.00 0.71 0.00 0.00 54.79 53.08 1q91 n ASP 71 Cb 0.09 -0.27 -0.03 0.00 -0.02 0.00 0.00 41.12 40.89 1q91 n ASP 71 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1q91 s ARG 72 N -1.38 4.43 -0.06 -1.24 1.81 -0.62 -4.92 118.95 116.97 1q91 s ARG 72 Ca 0.38 1.98 -0.02 0.00 -1.72 0.00 0.00 55.73 56.35 1q91 s ARG 72 Cb 0.22 -3.21 0.04 0.00 -0.45 0.00 0.00 34.95 31.54 1q91 s ARG 72 CO 0.30 -0.19 0.12 1.03 -0.68 0.00 0.00 175.30 175.88 1q91 s ARG 73 N -0.17 0.04 0.00 3.54 1.81 -1.26 -4.06 118.95 118.85 1q91 s ARG 73 Ca 0.55 0.36 0.00 0.00 -1.72 0.00 0.00 55.73 54.92 1q91 s ARG 73 Cb -0.35 -0.23 0.00 0.00 -0.45 0.00 0.00 34.95 33.92 1q91 s ARG 73 CO 0.38 -0.20 0.00 0.41 -0.68 0.00 0.00 175.30 175.21 1q91 n GLY 74 N 4.44 0.59 0.33 -3.53 0.00 -1.16 -4.81 105.19 101.05 1q91 n GLY 74 Ca -0.22 -1.48 -0.04 0.00 0.00 0.00 0.00 46.02 44.28 1q91 n GLY 74 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1q91 h PHE 75 N 0.00 1.11 -3.29 1.61 3.57 -1.98 -3.42 116.94 114.55 1q91 h PHE 75 Ca 0.00 0.01 -0.57 0.00 3.53 0.00 0.00 57.97 60.95 1q91 h PHE 75 Cb 0.00 -0.37 -0.08 0.00 2.79 0.00 0.00 35.95 38.29 1q91 h PHE 75 CO 0.00 0.72 0.88 -1.58 -2.23 0.00 0.00 178.31 176.09 1q91 s TRP 76 N -6.06 2.68 0.15 0.41 0.52 -1.26 -4.93 118.94 110.45 1q91 s TRP 76 Ca -0.13 0.37 -0.17 0.00 0.02 0.00 0.00 56.10 56.19 1q91 s TRP 76 Cb 0.16 -4.40 0.03 0.00 -1.15 0.00 0.00 33.47 28.11 1q91 s TRP 76 CO 0.80 -1.48 1.75 0.28 0.02 0.00 0.00 176.95 178.32 1q91 h VAL 77 N 6.14 0.92 -0.02 4.03 2.07 -1.94 -2.66 116.25 124.79 1q91 h VAL 77 Ca -0.25 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1q91 h VAL 77 Cb 1.06 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1q91 h VAL 77 CO 1.15 0.05 -0.02 0.77 0.02 0.00 0.00 177.57 179.54 1q91 h SER 78 N 0.25 0.02 -0.34 0.57 4.64 -1.91 -2.08 113.55 114.70 1q91 h SER 78 Ca 0.14 -0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.31 1q91 h SER 78 Cb 0.11 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1q91 h SER 78 CO -0.14 0.05 -0.37 -0.33 -0.87 0.00 0.00 176.83 175.17 1q91 h GLU 79 N 0.02 0.89 -0.02 4.77 5.08 -1.87 0.10 114.58 123.55 1q91 h GLU 79 Ca 0.01 -0.46 -0.18 0.00 -1.00 0.00 0.00 59.36 57.72 1q91 h GLU 79 Cb 0.06 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1q91 h GLU 79 CO 0.00 1.11 -0.80 0.37 -1.00 0.00 0.00 179.01 178.69 1q91 h GLN 80 N 0.73 0.23 -0.14 2.33 4.15 -1.42 -2.82 115.11 118.17 1q91 h GLN 80 Ca 0.06 -0.22 -0.13 0.00 0.77 0.00 0.00 58.65 59.13 1q91 h GLN 80 Cb 0.95 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.69 1q91 h GLN 80 CO 0.09 0.91 -0.49 1.88 -1.93 0.00 0.00 178.83 179.29 1q91 h TYR 81 N 0.15 0.44 -0.19 3.99 0.05 -1.28 -2.38 116.97 117.74 1q91 h TYR 81 Ca -0.03 -0.14 -0.06 0.00 0.05 0.00 0.00 58.73 58.54 1q91 h TYR 81 Cb 1.39 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 39.03 1q91 h TYR 81 CO 0.03 0.79 -0.14 0.78 -1.05 0.00 0.00 178.16 178.57 1q91 h GLY 82 N 1.24 0.34 2.00 3.88 0.00 -0.68 -2.15 103.07 107.70 1q91 h GLY 82 Ca 0.01 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.05 1q91 h GLY 82 CO 0.08 0.20 -0.35 3.21 0.00 0.00 0.00 176.54 179.68 1q91 h ARG 83 N 0.29 0.00 0.75 4.80 3.08 -1.24 -3.32 114.38 118.75 1q91 h ARG 83 Ca 0.06 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1q91 h ARG 83 Cb 0.43 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.48 1q91 h ARG 83 CO 0.03 0.35 -0.36 1.25 -1.07 0.00 0.00 179.97 180.17 1q91 h LEU 84 N 0.00 -0.85 -7.03 3.04 5.85 -0.88 -3.47 115.31 111.97 1q91 h LEU 84 Ca -0.00 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1q91 h LEU 84 Cb 1.15 0.22 -0.19 0.00 0.37 0.00 0.00 40.66 42.21 1q91 h LEU 84 CO 0.05 -0.55 0.16 0.00 -0.34 0.00 0.00 178.44 177.76 1q91 s ARG 85 N -5.56 1.04 0.17 1.25 1.70 -1.18 -5.13 118.95 111.24 1q91 s ARG 85 Ca -0.17 0.23 -0.34 0.00 -0.47 0.00 0.00 55.73 54.98 1q91 s ARG 85 Cb 0.02 0.49 -0.14 0.00 -0.57 0.00 0.00 34.95 34.75 1q91 s ARG 85 CO 0.56 -0.32 1.57 -2.30 -1.08 0.00 0.00 175.30 173.73 1q91 n PRO 86 N 0.93 2.15 0.00 3.89 -0.02 -1.26 -2.51 135.00 138.18 1q91 n PRO 86 Ca -0.19 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1q91 n PRO 86 Cb 0.57 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1q91 n PRO 86 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1q91 n GLY 87 N 3.33 1.14 0.18 -1.23 0.00 -1.26 -4.93 105.19 102.43 1q91 n GLY 87 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.24 1q91 n GLY 87 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1q91 h LEU 88 N 0.00 0.00 -0.14 0.99 4.07 -1.72 -3.10 115.31 115.41 1q91 h LEU 88 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1q91 h LEU 88 Cb 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 1q91 h LEU 88 CO 0.00 0.40 0.04 -1.28 -1.08 0.00 0.00 178.44 176.51 1q91 h SER 89 N 0.00 0.21 -0.58 -0.43 0.87 -1.79 0.15 113.55 111.98 1q91 h SER 89 Ca -0.00 -0.22 -0.04 0.00 -1.23 0.00 0.00 61.79 60.29 1q91 h SER 89 Cb 0.92 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.79 1q91 h SER 89 CO 0.05 0.38 0.22 -0.33 -0.53 0.00 0.00 176.83 176.61 1q91 h GLU 90 N 0.03 0.91 -0.40 2.24 3.07 -1.92 -1.63 114.58 116.89 1q91 h GLU 90 Ca 0.04 -0.16 -0.13 0.00 -0.50 0.00 0.00 59.36 58.61 1q91 h GLU 90 Cb 0.25 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 1q91 h GLU 90 CO -0.00 0.77 -0.25 0.87 -1.40 0.00 0.00 179.01 179.00 1q91 h LYS 91 N 0.89 0.87 -0.49 2.33 1.57 -1.45 -2.64 116.57 117.66 1q91 h LYS 91 Ca 0.21 -0.41 0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1q91 h LYS 91 Cb 0.22 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1q91 h LYS 91 CO -0.01 1.05 0.32 0.00 -0.57 0.00 0.00 179.45 180.24 1q91 h ALA 92 N 0.80 0.62 -1.00 3.86 0.00 -0.55 -2.58 119.26 120.42 1q91 h ALA 92 Ca 0.08 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1q91 h ALA 92 Cb 0.83 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 1q91 h ALA 92 CO 0.07 0.04 0.65 0.82 0.00 0.00 0.00 179.25 180.84 1q91 h ILE 93 N 0.64 1.19 0.00 0.00 2.04 -1.23 -1.77 117.51 118.39 1q91 h ILE 93 Ca 0.18 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 1q91 h ILE 93 Cb -0.05 -0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 35.83 1q91 h ILE 93 CO -0.05 0.23 -0.01 0.77 0.00 0.00 0.00 178.15 179.09 1q91 h SER 94 N 1.28 0.00 0.20 1.72 4.64 -1.09 -2.59 113.55 117.72 1q91 h SER 94 Ca 0.39 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.70 1q91 h SER 94 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1q91 h SER 94 CO -0.11 0.01 -0.10 0.40 -0.87 0.00 0.00 176.83 176.16 1q91 h ILE 95 N 0.00 0.82 0.00 0.95 1.08 -1.25 -3.00 117.51 116.11 1q91 h ILE 95 Ca -0.00 -0.94 0.00 0.00 -0.39 0.00 0.00 64.86 63.53 1q91 h ILE 95 Cb 0.12 1.31 0.00 0.00 -3.07 0.00 0.00 36.82 35.18 1q91 h ILE 95 CO 0.00 0.19 0.00 -2.67 -0.69 0.00 0.00 178.15 174.98 1q91 n TRP 96 N -4.99 0.17 1.17 1.37 2.14 -1.13 -2.46 117.44 113.70 1q91 n TRP 96 Ca -0.08 0.05 0.13 0.00 2.07 0.00 0.00 57.50 59.67 1q91 n TRP 96 Cb 0.26 -0.59 0.37 0.00 -0.81 0.00 0.00 31.31 30.55 1q91 n TRP 96 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 1q91 n GLU 97 N -1.64 0.51 -2.80 -2.67 1.02 -0.99 -4.82 120.64 109.24 1q91 n GLU 97 Ca 0.05 -0.28 -0.36 0.00 -0.02 0.00 0.00 57.16 56.56 1q91 n GLU 97 Cb 0.29 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.15 1q91 n GLU 97 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1q91 s SER 98 N -2.68 7.20 0.42 1.62 0.01 -1.03 -4.94 113.70 114.30 1q91 s SER 98 Ca 0.20 1.78 -0.26 0.00 1.31 0.00 0.00 55.95 58.99 1q91 s SER 98 Cb 0.19 -2.56 -0.10 0.00 0.21 0.00 0.00 66.02 63.76 1q91 s SER 98 CO 0.58 -0.16 1.28 1.17 0.41 0.00 0.00 173.24 176.51 1q91 n LYS 99 N 0.16 1.95 -0.82 12.44 4.81 -1.26 -2.34 118.16 133.09 1q91 n LYS 99 Ca 0.04 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 1q91 n LYS 99 Cb 0.51 -2.39 0.00 0.00 0.02 0.00 0.00 35.03 33.17 1q91 n LYS 99 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1q91 n ASN 100 N 0.21 -0.40 0.22 3.14 3.02 -1.26 -4.90 115.26 115.29 1q91 n ASN 100 Ca 0.06 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.46 1q91 n ASN 100 Cb 0.40 -1.04 -0.08 0.00 -0.61 0.00 0.00 39.78 38.44 1q91 n ASN 100 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1q91 h PHE 101 N 0.00 -0.49 -0.42 3.10 3.57 -1.76 -1.64 116.94 119.29 1q91 h PHE 101 Ca 0.00 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.36 1q91 h PHE 101 Cb 0.04 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1q91 h PHE 101 CO 0.02 -0.25 -0.23 0.74 -2.23 0.00 0.00 178.31 176.37 1q91 h PHE 102 N -0.64 1.04 -0.41 0.41 0.04 -1.88 -3.16 116.94 112.35 1q91 h PHE 102 Ca -0.05 -0.27 -0.03 0.00 2.80 0.00 0.00 57.97 60.42 1q91 h PHE 102 Cb 0.47 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.36 1q91 h PHE 102 CO -0.02 1.06 0.11 0.35 -0.60 0.00 0.00 178.31 179.21 1q91 h PHE 103 N 0.73 0.60 -0.26 -0.55 3.57 -1.77 -2.75 116.94 116.51 1q91 h PHE 103 Ca 0.09 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1q91 h PHE 103 Cb 0.80 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.35 1q91 h PHE 103 CO 0.06 0.51 0.00 0.39 -2.23 0.00 0.00 178.31 177.04 1q91 n GLU 104 N -4.34 1.70 -2.13 1.11 1.02 -0.62 -4.87 120.64 112.51 1q91 n GLU 104 Ca 0.03 -1.08 -0.39 0.00 -0.02 0.00 0.00 57.16 55.70 1q91 n GLU 104 Cb 0.18 -1.29 -0.01 0.00 -0.02 0.00 0.00 31.44 30.30 1q91 n GLU 104 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1q91 s LEU 105 N -1.20 4.25 0.20 -4.62 1.43 -1.04 -4.99 118.68 112.69 1q91 s LEU 105 Ca 0.25 2.58 -0.15 0.00 -1.03 0.00 0.00 54.13 55.78 1q91 s LEU 105 Cb 0.13 -3.89 -0.08 0.00 0.03 0.00 0.00 46.19 42.39 1q91 s LEU 105 CO 0.18 -0.75 0.61 -1.61 0.23 0.00 0.00 176.35 175.02 1q91 s GLU 106 N -2.17 4.02 0.50 1.70 0.41 -1.26 -4.81 118.70 117.09 1q91 s GLU 106 Ca 0.56 0.57 -0.22 0.00 -0.41 0.00 0.00 54.97 55.47 1q91 s GLU 106 Cb -0.36 -2.82 -0.06 0.00 -1.78 0.00 0.00 34.13 29.10 1q91 s GLU 106 CO 0.47 0.40 1.18 -2.14 -0.49 0.00 0.00 175.26 174.68 1q91 s PRO 107 N -2.21 3.52 0.58 0.39 0.02 -1.26 -0.31 135.00 135.72 1q91 s PRO 107 Ca 0.42 1.79 -0.17 0.00 0.02 0.00 0.00 61.00 63.06 1q91 s PRO 107 Cb -0.14 -2.25 -0.04 0.00 0.02 0.00 0.00 34.50 32.09 1q91 s PRO 107 CO 0.20 -0.76 1.09 -0.51 -0.33 0.00 0.00 177.00 176.69 1q91 s LEU 108 N -3.37 3.61 0.17 -5.54 1.02 -0.16 -4.75 118.68 109.66 1q91 s LEU 108 Ca 0.68 2.01 -0.34 0.00 0.02 0.00 0.00 54.13 56.50 1q91 s LEU 108 Cb -0.29 -4.56 -0.14 0.00 0.02 0.00 0.00 46.19 41.22 1q91 s LEU 108 CO 0.34 -1.25 1.55 -2.65 0.02 0.00 0.00 176.35 174.36 1q91 n PRO 109 N -1.72 2.11 -0.60 1.29 -0.02 -1.26 -1.82 135.00 132.98 1q91 n PRO 109 Ca 0.10 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1q91 n PRO 109 Cb 0.52 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1q91 n PRO 109 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1q91 n GLY 110 N 3.26 0.76 0.07 -1.23 0.00 -1.26 -4.48 105.19 102.32 1q91 n GLY 110 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 1q91 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q91 h ALA 111 N 0.00 -0.05 -0.33 4.61 0.00 -1.68 -0.92 119.26 120.89 1q91 h ALA 111 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1q91 h ALA 111 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1q91 h ALA 111 CO 0.00 -0.41 0.15 0.28 0.00 0.00 0.00 179.25 179.27 1q91 h VAL 112 N -0.28 1.16 -0.49 0.00 2.07 -1.90 -1.40 116.25 115.42 1q91 h VAL 112 Ca -0.01 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1q91 h VAL 112 Cb 0.26 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1q91 h VAL 112 CO 0.01 0.17 0.32 -0.33 0.02 0.00 0.00 177.57 177.76 1q91 h GLU 113 N 0.39 0.64 -0.29 1.57 3.07 -1.94 -1.41 114.58 116.62 1q91 h GLU 113 Ca 0.11 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 58.90 1q91 h GLU 113 Cb 0.13 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 1q91 h GLU 113 CO -0.01 0.43 0.04 0.00 -1.40 0.00 0.00 179.01 178.06 1q91 h ALA 114 N 1.18 0.38 -0.41 3.43 0.00 -0.99 -2.06 119.26 120.78 1q91 h ALA 114 Ca 0.18 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1q91 h ALA 114 Cb -0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1q91 h ALA 114 CO -0.04 0.08 -0.14 0.28 0.00 0.00 0.00 179.25 179.43 1q91 h VAL 115 N 0.29 1.26 -0.52 0.00 2.07 -1.17 0.77 116.25 118.94 1q91 h VAL 115 Ca 0.09 -1.20 -0.03 0.00 0.82 0.00 0.00 66.70 66.37 1q91 h VAL 115 Cb 0.36 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1q91 h VAL 115 CO 0.01 0.41 0.21 0.11 0.02 0.00 0.00 177.57 178.32 1q91 h LYS 116 N 0.67 0.78 -0.34 1.57 1.57 -1.19 -0.25 116.57 119.39 1q91 h LYS 116 Ca 0.11 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 1q91 h LYS 116 Cb 0.62 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1q91 h LYS 116 CO 0.04 0.69 -0.05 1.49 -0.57 0.00 0.00 179.45 181.05 1q91 h GLU 117 N 0.71 0.63 -0.58 3.15 4.81 -1.12 -2.65 114.58 119.54 1q91 h GLU 117 Ca 0.17 -0.23 0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1q91 h GLU 117 Cb 0.20 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.49 1q91 h GLU 117 CO -0.01 0.79 0.32 1.98 -0.73 0.00 0.00 179.01 181.35 1q91 h MET 118 N 0.43 0.59 0.00 1.92 4.05 -0.61 -1.73 114.93 119.58 1q91 h MET 118 Ca 0.09 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.43 1q91 h MET 118 Cb 0.53 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 1q91 h MET 118 CO 0.03 0.39 -0.22 0.00 0.23 0.00 0.00 176.91 177.34 1q91 h ALA 119 N 1.29 1.42 0.00 0.39 0.00 -0.97 -2.53 119.26 118.86 1q91 h ALA 119 Ca 0.25 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1q91 h ALA 119 Cb 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1q91 h ALA 119 CO -0.15 0.27 -0.17 -1.13 0.00 0.00 0.00 179.25 178.07 1q91 n SER 120 N -3.97 0.31 -4.75 0.00 3.41 -0.69 -4.86 113.62 103.07 1q91 n SER 120 Ca -0.02 0.30 -0.36 0.00 -0.26 0.00 0.00 58.87 58.54 1q91 n SER 120 Cb 0.30 -0.31 0.04 0.00 -0.26 0.00 0.00 64.21 63.97 1q91 n SER 120 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1q91 s LEU 121 N -3.35 3.63 0.50 1.04 1.43 -0.96 -4.98 118.68 116.00 1q91 s LEU 121 Ca 0.12 2.34 -0.21 0.00 -1.03 0.00 0.00 54.13 55.35 1q91 s LEU 121 Cb 0.17 -4.59 -0.06 0.00 0.03 0.00 0.00 46.19 41.73 1q91 s LEU 121 CO 0.60 -1.62 1.16 -1.10 0.23 0.00 0.00 176.35 175.62 1q91 s GLN 122 N -3.42 3.52 -1.50 1.70 -0.21 -1.26 -3.41 119.66 115.07 1q91 s GLN 122 Ca 0.76 1.73 -0.08 0.00 0.02 0.00 0.00 55.36 57.80 1q91 s GLN 122 Cb -0.29 -2.21 0.06 0.00 1.00 0.00 0.00 33.01 31.57 1q91 s GLN 122 CO 0.34 -0.74 0.64 0.09 -2.12 0.00 0.00 175.29 173.50 1q91 n ASN 123 N -0.90 -1.96 -3.66 5.90 3.02 -1.26 -4.93 115.26 111.48 1q91 n ASN 123 Ca 0.10 -0.95 -0.15 0.00 -0.03 0.00 0.00 54.58 53.54 1q91 n ASN 123 Cb 0.49 -3.20 -0.14 0.00 -0.61 0.00 0.00 39.78 36.32 1q91 n ASN 123 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1q91 s THR 124 N -3.64 -0.33 -0.19 3.41 2.01 -1.22 -0.87 115.64 114.81 1q91 s THR 124 Ca 0.32 0.31 -0.03 0.00 0.31 0.00 0.00 61.69 62.59 1q91 s THR 124 Cb -0.17 -0.37 -0.01 0.00 0.01 0.00 0.00 72.50 71.95 1q91 s THR 124 CO 0.88 0.12 -0.05 -1.81 -0.69 0.00 0.00 174.62 173.07 1q91 s ASP 125 N 2.35 4.38 -0.13 3.53 1.01 0.11 -4.77 116.67 123.15 1q91 s ASP 125 Ca 0.02 -0.32 -0.02 0.00 0.71 0.00 0.00 52.55 52.95 1q91 s ASP 125 Cb -0.12 -1.73 -0.02 0.00 1.01 0.00 0.00 42.92 42.05 1q91 s ASP 125 CO -0.07 0.05 -0.08 -0.69 0.21 0.00 0.00 175.17 174.60 1q91 s VAL 126 N 1.04 3.57 0.02 -1.27 1.01 -1.26 -0.60 120.40 122.92 1q91 s VAL 126 Ca 0.01 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.55 1q91 s VAL 126 Cb -0.15 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 1q91 s VAL 126 CO -0.00 0.53 -0.16 -0.36 0.00 0.00 0.00 175.10 175.11 1q91 s PHE 127 N 0.10 1.42 -0.33 5.22 0.40 -0.47 -4.83 117.98 119.49 1q91 s PHE 127 Ca -0.03 -0.32 -0.16 0.00 -0.60 0.00 0.00 56.93 55.83 1q91 s PHE 127 Cb -0.14 -0.87 -0.01 0.00 0.51 0.00 0.00 43.02 42.50 1q91 s PHE 127 CO 0.03 0.02 0.39 0.42 0.70 0.00 0.00 175.22 176.79 1q91 s ILE 128 N -0.62 5.14 -0.32 0.64 1.01 0.10 -0.08 121.20 127.06 1q91 s ILE 128 Ca 0.05 0.20 -0.04 0.00 0.00 0.00 0.00 60.65 60.85 1q91 s ILE 128 Cb -0.07 -3.83 0.05 0.00 0.01 0.00 0.00 42.46 38.62 1q91 s ILE 128 CO 0.01 -0.08 0.05 0.00 0.00 0.00 0.00 174.94 174.92 1q91 s THR 130 N 1.32 0.97 -0.33 0.00 -1.32 -0.66 -4.02 115.64 111.59 1q91 s THR 130 Ca -0.03 -1.02 -0.11 0.00 -1.21 0.00 0.00 61.69 59.32 1q91 s THR 130 Cb -0.20 -0.91 -0.00 0.00 -1.51 0.00 0.00 72.50 69.88 1q91 s THR 130 CO 0.01 -0.10 0.19 -0.44 -2.21 0.00 0.00 174.62 172.07 1q91 s SER 131 N -1.26 5.76 0.57 8.08 0.01 -1.23 -1.53 113.70 124.09 1q91 s SER 131 Ca -0.01 -0.57 -0.16 0.00 1.31 0.00 0.00 55.95 56.52 1q91 s SER 131 Cb -0.08 -2.05 -0.05 0.00 0.21 0.00 0.00 66.02 64.05 1q91 s SER 131 CO 0.01 -0.24 1.04 -2.16 0.41 0.00 0.00 173.24 172.30 1q91 s PRO 132 N 1.64 3.46 0.84 12.44 0.04 -1.26 -4.99 135.00 147.17 1q91 s PRO 132 Ca 0.05 1.17 -0.12 0.00 0.04 0.00 0.00 61.00 62.14 1q91 s PRO 132 Cb -0.17 -2.06 0.10 0.00 0.04 0.00 0.00 34.50 32.41 1q91 s PRO 132 CO 0.08 -0.69 1.11 0.96 0.04 0.00 0.00 177.00 178.50 1q91 s ILE 133 N -2.46 2.69 0.24 0.56 -4.36 -1.26 -4.92 121.20 111.69 1q91 s ILE 133 Ca 0.63 0.22 -0.07 0.00 -0.26 0.00 0.00 60.65 61.17 1q91 s ILE 133 Cb -0.15 -2.95 0.22 0.00 1.25 0.00 0.00 42.46 40.83 1q91 s ILE 133 CO 0.35 -0.29 1.89 0.11 0.24 0.00 0.00 174.94 177.24 1q91 h LYS 134 N -1.26 1.24 -6.50 0.37 1.57 -2.02 -3.37 116.57 106.61 1q91 h LYS 134 Ca -0.48 -0.10 -0.56 0.00 -1.87 0.00 0.00 60.65 57.64 1q91 h LYS 134 Cb 1.29 -0.27 -0.06 0.00 0.08 0.00 0.00 32.23 33.28 1q91 h LYS 134 CO 0.60 0.86 1.06 1.41 -0.57 0.00 0.00 179.45 182.81 1q91 s MET 135 N -6.00 3.45 0.00 3.15 1.75 -1.26 -4.87 119.30 115.52 1q91 s MET 135 Ca -0.13 0.62 0.20 0.00 -1.25 0.00 0.00 55.69 55.13 1q91 s MET 135 Cb 0.17 -4.06 0.64 0.00 2.84 0.00 0.00 34.83 34.43 1q91 s MET 135 CO 0.82 -1.73 1.49 1.97 -0.65 0.00 0.00 175.02 176.92 1q91 n PHE 136 N 9.06 0.29 -0.26 4.11 -1.74 -1.26 -4.40 117.46 123.25 1q91 n PHE 136 Ca 0.14 -0.15 -0.01 0.00 -0.56 0.00 0.00 57.45 56.87 1q91 n PHE 136 Cb 0.49 0.00 0.11 0.00 1.52 0.00 0.00 39.48 41.59 1q91 n PHE 136 CO 0.00 0.00 0.00 -0.22 -0.56 0.00 0.00 176.76 175.98 1q91 h LYS 137 N 2.63 0.81 0.00 3.97 1.63 -1.94 -3.38 116.57 120.28 1q91 h LYS 137 Ca 0.00 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.74 1q91 h LYS 137 Cb 0.58 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 32.02 1q91 h LYS 137 CO 0.00 0.54 -1.06 0.66 -3.45 0.00 0.00 179.45 176.14 1q91 n TYR 138 N -4.69 0.00 0.02 1.91 4.01 -1.26 -4.83 117.16 112.32 1q91 n TYR 138 Ca 0.09 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.69 1q91 n TYR 138 Cb 0.15 -0.04 -0.09 0.00 -0.31 0.00 0.00 39.34 39.04 1q91 n TYR 138 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1q91 h PRO 140 N -0.59 -0.18 -0.24 0.00 0.11 -1.90 -0.69 132.00 128.51 1q91 h PRO 140 Ca 0.02 0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.19 1q91 h PRO 140 Cb 0.65 0.04 -0.05 0.00 0.11 0.00 0.00 31.00 31.76 1q91 h PRO 140 CO -0.36 -0.12 -0.08 -0.92 -0.21 0.00 0.00 178.00 176.30 1q91 h TYR 141 N -0.19 -0.18 -0.09 0.65 3.20 -1.82 -2.32 116.97 116.22 1q91 h TYR 141 Ca 0.11 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.95 1q91 h TYR 141 Cb 0.35 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 1q91 h TYR 141 CO -0.29 -0.13 -0.16 0.93 -1.64 0.00 0.00 178.16 176.87 1q91 h GLU 142 N -0.03 0.14 -0.43 1.82 5.08 -0.42 -0.88 114.58 119.87 1q91 h GLU 142 Ca 0.12 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 1q91 h GLU 142 Cb 0.21 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1q91 h GLU 142 CO -0.26 0.31 -0.21 0.87 -1.00 0.00 0.00 179.01 178.72 1q91 h LYS 143 N 0.14 0.89 -0.48 2.33 1.57 -0.70 0.69 116.57 121.01 1q91 h LYS 143 Ca 0.03 -0.39 -0.07 0.00 -1.87 0.00 0.00 60.65 58.35 1q91 h LYS 143 Cb 0.37 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1q91 h LYS 143 CO 0.02 1.04 0.04 1.88 -0.57 0.00 0.00 179.45 181.86 1q91 h TYR 144 N 0.72 0.89 -0.71 -1.35 -1.99 -0.96 -1.68 116.97 111.88 1q91 h TYR 144 Ca 0.09 -0.14 -0.02 0.00 2.00 0.00 0.00 58.73 60.67 1q91 h TYR 144 Cb 0.77 -0.24 -0.03 0.00 2.00 0.00 0.00 36.73 39.23 1q91 h TYR 144 CO 0.06 0.83 0.37 0.00 -0.00 0.00 0.00 178.16 179.42 1q91 h ALA 145 N 0.94 1.30 -0.36 3.88 0.00 -1.01 -0.89 119.26 123.13 1q91 h ALA 145 Ca 0.14 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1q91 h ALA 145 Cb 0.45 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1q91 h ALA 145 CO 0.02 0.55 0.03 2.35 0.00 0.00 0.00 179.25 182.20 1q91 h TRP 146 N 1.00 0.66 -0.60 0.00 7.01 -0.59 -1.14 115.95 122.29 1q91 h TRP 146 Ca 0.25 -0.11 -0.07 0.00 2.11 0.00 0.00 58.89 61.07 1q91 h TRP 146 Cb 0.06 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 26.92 1q91 h TRP 146 CO 0.01 0.70 0.09 0.28 -2.79 0.00 0.00 178.44 176.72 1q91 h VAL 147 N 0.44 1.26 -0.55 2.65 2.07 -0.99 -1.99 116.25 119.14 1q91 h VAL 147 Ca 0.10 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 1q91 h VAL 147 Cb 0.42 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1q91 h VAL 147 CO 0.01 0.37 0.34 -0.08 0.02 0.00 0.00 177.57 178.23 1q91 h GLU 148 N 0.91 0.75 -0.35 1.57 4.81 -1.00 0.17 114.58 121.43 1q91 h GLU 148 Ca 0.18 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 1q91 h GLU 148 Cb 0.44 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1q91 h GLU 148 CO 0.01 0.54 0.16 -0.22 -0.73 0.00 0.00 179.01 178.77 1q91 h LYS 149 N 0.74 0.32 0.00 1.92 3.64 -0.86 0.12 116.57 122.45 1q91 h LYS 149 Ca 0.20 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.49 1q91 h LYS 149 Cb -0.02 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1q91 h LYS 149 CO -0.04 0.21 -1.56 0.66 -2.27 0.00 0.00 179.45 176.45 1q91 n TYR 150 N -4.97 0.55 0.11 1.91 4.01 -0.78 -4.54 117.16 113.46 1q91 n TYR 150 Ca 0.01 0.17 0.01 0.00 -0.16 0.00 0.00 57.90 57.93 1q91 n TYR 150 Cb 0.10 -0.84 -0.02 0.00 -0.31 0.00 0.00 39.34 38.28 1q91 n TYR 150 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1q91 n PHE 151 N -2.59 0.00 0.00 -0.72 3.72 0.57 -5.04 117.46 113.41 1q91 n PHE 151 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1q91 n PHE 151 Cb 0.68 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.21 1q91 n PHE 151 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1q91 n GLY 152 N 1.21 0.52 0.28 1.37 0.00 0.03 -4.41 105.19 104.19 1q91 n GLY 152 Ca 0.00 -1.74 0.08 0.00 0.00 0.00 0.00 46.02 44.36 1q91 n GLY 152 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1q91 h PRO 153 N 0.00 0.34 0.00 1.61 0.11 -1.89 -2.04 132.00 130.13 1q91 h PRO 153 Ca 0.00 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 1q91 h PRO 153 Cb 0.00 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.03 1q91 h PRO 153 CO 0.00 0.23 -0.06 -0.44 -0.21 0.00 0.00 178.00 177.51 1q91 h ASP 154 N 0.35 0.00 1.05 -2.05 3.32 -1.96 -2.23 116.42 114.91 1q91 h ASP 154 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 1q91 h ASP 154 Cb 0.78 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1q91 h ASP 154 CO -0.49 0.06 0.00 0.33 -1.72 0.00 0.00 179.24 177.42 1q91 n PHE 155 N -3.84 0.63 0.25 4.55 -0.00 -0.77 -3.15 117.46 115.13 1q91 n PHE 155 Ca -0.02 0.21 0.12 0.00 -0.00 0.00 0.00 57.45 57.75 1q91 n PHE 155 Cb 0.16 -0.84 0.74 0.00 -0.00 0.00 0.00 39.48 39.54 1q91 n PHE 155 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1q91 h LEU 156 N 0.00 0.00 -1.83 -2.13 3.38 -1.51 -0.50 115.31 112.73 1q91 h LEU 156 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1q91 h LEU 156 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1q91 h LEU 156 CO 0.00 0.00 0.00 -0.33 0.09 0.00 0.00 178.44 178.20 1q91 h GLU 157 N 0.00 0.00 -0.40 1.13 4.39 -1.76 -2.68 114.58 115.26 1q91 h GLU 157 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1q91 h GLU 157 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1q91 h GLU 157 CO -0.00 0.00 0.00 1.04 -1.16 0.00 0.00 179.01 178.89 1q91 n GLN 158 N -2.75 2.26 -3.22 2.33 1.13 -0.19 -4.95 117.38 111.99 1q91 n GLN 158 Ca -0.01 -1.92 -0.39 0.00 -1.94 0.00 0.00 57.00 52.75 1q91 n GLN 158 Cb 0.15 -1.46 -0.06 0.00 0.11 0.00 0.00 30.24 28.99 1q91 n GLN 158 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1q91 s ILE 159 N -1.47 5.00 -0.16 5.09 1.01 -1.01 -0.72 121.20 128.93 1q91 s ILE 159 Ca 0.37 1.19 -0.00 0.00 0.00 0.00 0.00 60.65 62.21 1q91 s ILE 159 Cb 0.20 -3.91 0.04 0.00 0.01 0.00 0.00 42.46 38.80 1q91 s ILE 159 CO 0.28 0.37 -0.08 -0.69 0.00 0.00 0.00 174.94 174.83 1q91 s VAL 160 N 0.13 1.27 -0.24 2.92 1.01 0.42 -4.94 120.40 120.97 1q91 s VAL 160 Ca 0.31 -0.63 -0.09 0.00 0.00 0.00 0.00 61.98 61.56 1q91 s VAL 160 Cb -0.17 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 1q91 s VAL 160 CO 0.16 0.23 0.12 -0.76 0.00 0.00 0.00 175.10 174.85 1q91 s LEU 161 N 1.58 3.87 -0.17 3.92 1.43 -1.26 -1.66 118.68 126.39 1q91 s LEU 161 Ca 0.02 0.00 -0.28 0.00 -1.03 0.00 0.00 54.13 52.84 1q91 s LEU 161 Cb -0.15 -2.03 0.09 0.00 0.03 0.00 0.00 46.19 44.13 1q91 s LEU 161 CO -0.08 0.04 0.82 0.28 0.23 0.00 0.00 176.35 177.64 1q91 s THR 162 N 1.18 0.00 -2.57 5.49 -1.32 -0.58 -4.99 115.64 112.84 1q91 s THR 162 Ca 0.06 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.79 1q91 s THR 162 Cb -0.14 -1.00 0.42 0.00 -1.51 0.00 0.00 72.50 70.27 1q91 s THR 162 CO 0.05 0.00 1.53 0.54 -2.21 0.00 0.00 174.62 174.52 1q91 n ARG 163 N 1.58 1.97 -3.76 7.08 1.74 -1.26 -3.57 116.66 120.44 1q91 n ARG 163 Ca -0.15 -1.43 -0.30 0.00 -0.77 0.00 0.00 57.85 55.21 1q91 n ARG 163 Cb 0.56 -1.46 -0.15 0.00 -1.02 0.00 0.00 32.46 30.39 1q91 n ARG 163 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1q91 s ASP 164 N -1.83 3.93 0.05 0.55 -1.08 -1.26 -4.99 116.67 112.05 1q91 s ASP 164 Ca 0.34 -1.54 0.26 0.00 -0.52 0.00 0.00 52.55 51.09 1q91 s ASP 164 Cb 0.20 -0.89 0.73 0.00 -1.46 0.00 0.00 42.92 41.50 1q91 s ASP 164 CO 0.31 -0.39 1.59 0.29 0.52 0.00 0.00 175.17 177.49 1q91 n LYS 165 N 4.83 0.09 0.25 4.34 5.02 -1.26 -3.72 118.16 127.71 1q91 n LYS 165 Ca -0.03 0.04 0.16 0.00 -2.02 0.00 0.00 58.31 56.46 1q91 n LYS 165 Cb 0.43 -1.57 0.61 0.00 -0.02 0.00 0.00 35.03 34.47 1q91 n LYS 165 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1q91 h THR 166 N 0.00 0.00 -0.09 -0.18 1.35 -1.91 -2.43 112.91 109.66 1q91 h THR 166 Ca 0.00 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1q91 h THR 166 Cb 0.58 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 1q91 h THR 166 CO 0.00 0.00 0.00 1.33 -0.25 0.00 0.00 175.52 176.60 1q91 n VAL 167 N -2.95 0.10 -3.67 6.82 0.24 -1.24 -4.62 118.33 113.00 1q91 n VAL 167 Ca 0.01 -0.32 -0.37 0.00 -2.04 0.00 0.00 64.34 61.63 1q91 n VAL 167 Cb 0.32 0.50 -0.10 0.00 -1.47 0.00 0.00 33.84 33.09 1q91 n VAL 167 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1q91 s VAL 168 N -1.90 5.28 -0.00 3.34 1.01 -0.91 -5.07 120.40 122.14 1q91 s VAL 168 Ca 0.35 0.15 -0.18 0.00 0.00 0.00 0.00 61.98 62.30 1q91 s VAL 168 Cb 0.20 -3.46 -0.06 0.00 0.00 0.00 0.00 36.38 33.05 1q91 s VAL 168 CO 0.30 0.34 0.51 -0.94 0.00 0.00 0.00 175.10 175.31 1q91 s SER 169 N 1.15 6.90 0.12 3.32 1.04 -1.26 -4.75 113.70 120.21 1q91 s SER 169 Ca 0.07 1.07 -0.25 0.00 0.48 0.00 0.00 55.95 57.32 1q91 s SER 169 Cb -0.14 -2.31 0.08 0.00 0.10 0.00 0.00 66.02 63.75 1q91 s SER 169 CO 0.05 0.20 1.09 0.00 0.98 0.00 0.00 173.24 175.56 1q91 s ALA 170 N -0.57 -1.81 -0.05 5.32 0.00 -1.26 -5.01 121.76 118.37 1q91 s ALA 170 Ca 0.27 -0.04 0.08 0.00 0.00 0.00 0.00 51.96 52.27 1q91 s ALA 170 Cb -0.18 0.69 -0.24 0.00 0.00 0.00 0.00 23.12 23.40 1q91 s ALA 170 CO 0.15 -1.07 0.65 -0.44 0.00 0.00 0.00 175.76 175.05 1q91 h ASP 171 N 2.00 0.10 -4.71 0.00 5.19 -1.31 -2.44 116.42 115.26 1q91 h ASP 171 Ca -0.26 -0.21 -0.18 0.00 -0.62 0.00 0.00 57.03 55.76 1q91 h ASP 171 Cb 1.21 -0.03 -0.22 0.00 0.18 0.00 0.00 39.33 40.47 1q91 h ASP 171 CO 0.32 1.18 -0.66 -0.76 -3.12 0.00 0.00 179.24 176.21 1q91 s LEU 172 N -6.34 2.03 -0.15 1.55 1.43 -1.06 -1.58 118.68 114.56 1q91 s LEU 172 Ca -0.08 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 52.68 1q91 s LEU 172 Cb 0.08 0.21 0.04 0.00 0.03 0.00 0.00 46.19 46.55 1q91 s LEU 172 CO 0.82 -0.25 -0.01 -0.22 0.23 0.00 0.00 176.35 176.92 1q91 s LEU 173 N -1.12 1.22 -0.42 1.79 2.96 -0.47 -0.27 118.68 122.37 1q91 s LEU 173 Ca -0.12 -0.58 -0.15 0.00 -0.22 0.00 0.00 54.13 53.05 1q91 s LEU 173 Cb -0.07 -0.69 0.03 0.00 0.50 0.00 0.00 46.19 45.96 1q91 s LEU 173 CO -0.00 -0.23 0.32 -0.63 -1.32 0.00 0.00 176.35 174.48 1q91 s ILE 174 N 1.79 5.25 -0.09 6.68 1.01 -0.15 -0.78 121.20 134.92 1q91 s ILE 174 Ca 0.01 -0.70 -0.11 0.00 0.00 0.00 0.00 60.65 59.86 1q91 s ILE 174 Cb -0.15 -3.96 0.03 0.00 0.01 0.00 0.00 42.46 38.38 1q91 s ILE 174 CO -0.07 -0.35 0.29 -0.62 0.00 0.00 0.00 174.94 174.19 1q91 s ASP 175 N 1.80 -0.27 0.00 3.58 -1.08 -0.94 -1.19 116.67 118.57 1q91 s ASP 175 Ca 0.05 0.46 0.29 0.00 -0.52 0.00 0.00 52.55 52.83 1q91 s ASP 175 Cb -0.20 0.53 1.21 0.00 -1.46 0.00 0.00 42.92 43.00 1q91 s ASP 175 CO 0.10 -0.17 1.86 -0.90 0.52 0.00 0.00 175.17 176.57 1q91 n ASP 176 N 2.57 0.34 -4.69 -0.34 5.75 -1.26 -1.63 116.55 117.28 1q91 n ASP 176 Ca -0.15 -0.34 -0.41 0.00 -0.01 0.00 0.00 54.79 53.88 1q91 n ASP 176 Cb 0.57 -0.13 -0.04 0.00 -1.03 0.00 0.00 41.12 40.50 1q91 n ASP 176 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1q91 s ARG 177 N -2.60 4.40 0.12 0.11 3.52 -1.26 -4.79 118.95 118.44 1q91 s ARG 177 Ca 0.25 1.15 -0.17 0.00 -0.13 0.00 0.00 55.73 56.83 1q91 s ARG 177 Cb 0.20 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 30.03 1q91 s ARG 177 CO 0.50 -0.21 1.65 -1.35 -0.81 0.00 0.00 175.30 175.08 1q91 h PRO 178 N 7.08 0.50 -4.19 5.12 0.11 -1.97 -3.40 132.00 135.25 1q91 h PRO 178 Ca -0.34 -0.10 -0.75 0.00 0.11 0.00 0.00 66.00 64.93 1q91 h PRO 178 Cb 1.16 -0.08 -0.24 0.00 0.11 0.00 0.00 31.00 31.95 1q91 h PRO 178 CO 0.81 0.51 -0.28 0.16 -0.21 0.00 0.00 178.00 179.00 1q91 s ASP 179 N -5.80 6.12 -0.40 -2.05 -4.77 -1.26 -5.02 116.67 103.49 1q91 s ASP 179 Ca -0.13 -1.63 -0.03 0.00 -3.30 0.00 0.00 52.55 47.45 1q91 s ASP 179 Cb 0.09 -2.18 0.10 0.00 -1.09 0.00 0.00 42.92 39.84 1q91 s ASP 179 CO 0.74 -0.77 0.20 -0.63 0.70 0.00 0.00 175.17 175.41 1q91 s ILE 180 N 1.59 3.36 0.35 2.11 1.01 -1.26 -5.07 121.20 123.29 1q91 s ILE 180 Ca 0.04 -1.94 0.04 0.00 0.00 0.00 0.00 60.65 58.78 1q91 s ILE 180 Cb -0.28 -3.25 -0.06 0.00 0.01 0.00 0.00 42.46 38.88 1q91 s ILE 180 CO 0.04 -0.63 0.05 0.42 0.00 0.00 0.00 174.94 174.82 1q91 s THR 181 N 1.18 1.30 -0.57 2.92 -4.23 -1.26 -4.91 115.64 110.07 1q91 s THR 181 Ca 0.07 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 1q91 s THR 181 Cb -0.23 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 70.81 1q91 s THR 181 CO -0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1q91 n GLY 182 N -0.75 -0.68 0.26 3.99 0.00 -1.26 -4.65 105.19 102.10 1q91 n GLY 182 Ca -0.03 -0.46 0.14 0.00 0.00 0.00 0.00 46.02 45.67 1q91 n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q91 h ALA 183 N 0.00 1.13 -2.50 4.61 0.00 -1.95 -3.40 119.26 117.14 1q91 h ALA 183 Ca 0.00 -0.10 -0.71 0.00 0.00 0.00 0.00 54.91 54.10 1q91 h ALA 183 Cb 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 17.79 17.57 1q91 h ALA 183 CO 0.00 0.14 -0.38 -2.00 0.00 0.00 0.00 179.25 177.01 1q91 s GLU 184 N -3.94 3.09 0.51 0.00 2.56 -1.26 -4.95 118.70 114.70 1q91 s GLU 184 Ca -0.01 -0.89 0.28 0.00 0.00 0.00 0.00 54.97 54.35 1q91 s GLU 184 Cb 0.11 -3.95 1.35 0.00 2.00 0.00 0.00 34.13 33.65 1q91 s GLU 184 CO 0.57 -0.72 2.01 -1.00 -0.56 0.00 0.00 175.26 175.56 1q91 h PRO 185 N 8.63 0.00 -2.67 4.30 0.13 -1.94 -3.35 132.00 137.10 1q91 h PRO 185 Ca -0.28 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.25 1q91 h PRO 185 Cb 1.12 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.85 1q91 h PRO 185 CO 0.73 0.13 -0.78 0.25 -0.23 0.00 0.00 178.00 178.10 1q91 n THR 186 N -3.48 0.26 -1.65 1.56 -2.24 -1.26 -5.09 114.28 102.38 1q91 n THR 186 Ca -0.01 -4.18 -0.37 0.00 -2.27 0.00 0.00 64.05 57.21 1q91 n THR 186 Cb 0.29 -1.93 0.06 0.00 -2.10 0.00 0.00 70.33 66.65 1q91 n THR 186 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1q91 n PRO 187 N 2.29 0.94 0.22 -0.78 -0.02 -1.26 -4.91 135.00 131.48 1q91 n PRO 187 Ca 0.25 0.37 0.12 0.00 -2.02 0.00 0.00 63.50 62.21 1q91 n PRO 187 Cb 0.42 -2.28 0.22 0.00 -0.02 0.00 0.00 33.50 31.84 1q91 n PRO 187 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1q91 h SER 188 N 0.45 0.00 -3.58 2.55 4.64 -1.84 -3.46 113.55 112.31 1q91 h SER 188 Ca -0.49 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.33 1q91 h SER 188 Cb 1.36 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.48 1q91 h SER 188 CO 0.51 0.06 0.11 -1.66 -0.87 0.00 0.00 176.83 174.98 1q91 s TRP 189 N -3.24 3.55 -0.22 4.77 1.48 -0.92 -4.64 118.94 119.73 1q91 s TRP 189 Ca 0.06 0.84 -0.11 0.00 -1.06 0.00 0.00 56.10 55.83 1q91 s TRP 189 Cb 0.06 -2.32 -0.05 0.00 -1.16 0.00 0.00 33.47 30.00 1q91 s TRP 189 CO 0.66 -0.25 0.18 -2.00 -4.06 0.00 0.00 176.95 171.49 1q91 s GLU 190 N -4.60 4.14 -0.29 3.25 2.12 -0.62 -4.91 118.70 117.79 1q91 s GLU 190 Ca 0.48 -0.18 -0.23 0.00 0.36 0.00 0.00 54.97 55.40 1q91 s GLU 190 Cb -0.10 -3.49 -0.00 0.00 0.26 0.00 0.00 34.13 30.79 1q91 s GLU 190 CO 0.43 0.15 0.75 -1.58 -0.54 0.00 0.00 175.26 174.47 1q91 s HIS 191 N 0.79 3.24 -0.26 5.30 5.65 -1.26 -1.37 115.29 127.38 1q91 s HIS 191 Ca 0.09 0.84 -0.09 0.00 0.25 0.00 0.00 55.06 56.16 1q91 s HIS 191 Cb -0.13 -3.10 -0.04 0.00 -1.18 0.00 0.00 32.58 28.14 1q91 s HIS 191 CO 0.02 -0.49 0.12 0.08 -0.65 0.00 0.00 174.74 173.83 1q91 s VAL 192 N 2.82 4.74 -0.26 0.89 1.01 0.04 -4.54 120.40 125.10 1q91 s VAL 192 Ca 0.31 -0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.97 1q91 s VAL 192 Cb -0.15 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1q91 s VAL 192 CO 0.11 0.31 1.21 -0.22 0.00 0.00 0.00 175.10 176.51 1q91 s LEU 193 N 1.59 3.99 -0.14 3.92 2.96 -0.46 -2.22 118.68 128.32 1q91 s LEU 193 Ca 0.06 1.31 -0.26 0.00 -0.22 0.00 0.00 54.13 55.02 1q91 s LEU 193 Cb -0.15 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.98 1q91 s LEU 193 CO 0.06 -0.91 0.85 0.12 -1.32 0.00 0.00 176.35 175.16 1q91 s PHE 194 N 3.86 3.46 0.31 5.38 5.36 -0.65 -1.44 117.98 134.27 1q91 s PHE 194 Ca 0.52 1.33 -0.29 0.00 -0.96 0.00 0.00 56.93 57.53 1q91 s PHE 194 Cb -0.17 -3.02 -0.11 0.00 -0.34 0.00 0.00 43.02 39.38 1q91 s PHE 194 CO 0.17 -0.19 1.50 0.99 -1.46 0.00 0.00 175.22 176.23 1q91 s THR 195 N 1.93 2.26 0.08 0.12 2.01 -0.80 -4.17 115.64 117.07 1q91 s THR 195 Ca 0.40 0.23 -0.06 0.00 0.31 0.00 0.00 61.69 62.57 1q91 s THR 195 Cb -0.17 -3.15 -0.01 0.00 0.01 0.00 0.00 72.50 69.18 1q91 s THR 195 CO 0.15 0.05 0.13 0.00 -0.69 0.00 0.00 174.62 174.25 1q91 s ALA 196 N -0.47 -0.02 0.28 7.40 0.00 -1.26 -4.86 121.76 122.83 1q91 s ALA 196 Ca 0.58 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.78 1q91 s ALA 196 Cb -0.45 0.42 0.68 0.00 0.00 0.00 0.00 23.12 23.77 1q91 s ALA 196 CO 0.52 -0.47 1.72 0.00 0.00 0.00 0.00 175.76 177.53 1q91 n HIS 198 N -4.97 0.68 -0.23 0.00 1.44 -1.26 -3.67 115.22 107.21 1q91 n HIS 198 Ca 0.21 0.24 0.00 0.00 -2.01 0.00 0.00 57.72 56.16 1q91 n HIS 198 Cb 0.59 -0.89 0.00 0.00 0.12 0.00 0.00 29.99 29.81 1q91 n HIS 198 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 1q91 n ASN 199 N -2.10 0.79 0.03 4.39 0.23 -0.49 -2.97 115.26 115.15 1q91 n ASN 199 Ca 0.04 -1.03 0.20 0.00 -0.53 0.00 0.00 54.58 53.25 1q91 n ASN 199 Cb 0.28 0.00 0.70 0.00 -2.08 0.00 0.00 39.78 38.68 1q91 n ASN 199 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 1q91 h GLN 200 N 0.00 0.00 -0.02 -3.83 3.07 -1.21 -1.68 115.11 111.45 1q91 h GLN 200 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1q91 h GLN 200 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.69 1q91 h GLN 200 CO 0.00 0.00 -0.20 0.72 0.09 0.00 0.00 178.83 179.44 1q91 n HIS 201 N -4.31 0.00 -2.15 0.06 8.25 -1.26 -4.96 115.22 110.85 1q91 n HIS 201 Ca 0.09 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.13 1q91 n HIS 201 Cb 0.57 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.62 1q91 n HIS 201 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1q91 s LEU 202 N -2.26 4.37 -0.19 2.41 1.43 -0.63 -4.99 118.68 118.81 1q91 s LEU 202 Ca 0.26 2.33 -0.21 0.00 -1.03 0.00 0.00 54.13 55.49 1q91 s LEU 202 Cb 0.19 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.81 1q91 s LEU 202 CO 0.44 -0.68 0.63 -1.58 0.23 0.00 0.00 176.35 175.39 1q91 s GLN 203 N 1.28 4.23 0.08 1.70 0.74 -1.26 -5.05 119.66 121.38 1q91 s GLN 203 Ca 0.65 0.63 -0.07 0.00 0.05 0.00 0.00 55.36 56.62 1q91 s GLN 203 Cb -0.37 -3.57 -0.05 0.00 1.10 0.00 0.00 33.01 30.12 1q91 s GLN 203 CO 0.30 -0.21 0.35 -0.51 -0.55 0.00 0.00 175.29 174.67 1q91 s LEU 204 N 1.81 4.33 -0.01 3.68 1.43 -1.26 -5.07 118.68 123.59 1q91 s LEU 204 Ca 0.29 0.66 -0.29 0.00 -1.03 0.00 0.00 54.13 53.76 1q91 s LEU 204 Cb -0.16 -3.00 -0.03 0.00 0.03 0.00 0.00 46.19 43.03 1q91 s LEU 204 CO 0.11 0.16 0.96 -1.10 0.23 0.00 0.00 176.35 176.70 1q91 s GLN 205 N -2.10 4.55 0.59 1.70 -1.52 -1.26 -4.88 119.66 116.74 1q91 s GLN 205 Ca 0.34 1.38 -0.19 0.00 -1.95 0.00 0.00 55.36 54.94 1q91 s GLN 205 Cb -0.13 -3.46 -0.05 0.00 -0.22 0.00 0.00 33.01 29.15 1q91 s GLN 205 CO 0.20 -0.04 1.05 -2.30 -0.25 0.00 0.00 175.29 173.94 1q91 n PRO 206 N 3.90 1.03 -0.76 2.91 -0.02 -1.26 -1.43 135.00 139.37 1q91 n PRO 206 Ca 0.05 0.40 -0.07 0.00 -2.02 0.00 0.00 63.50 61.86 1q91 n PRO 206 Cb 0.51 -2.24 0.20 0.00 -0.02 0.00 0.00 33.50 31.94 1q91 n PRO 206 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1q91 n PRO 207 N -1.04 2.69 -1.78 0.52 -0.04 -1.26 -5.11 135.00 128.98 1q91 n PRO 207 Ca 0.13 -2.16 -0.41 0.00 -0.04 0.00 0.00 63.50 61.03 1q91 n PRO 207 Cb 0.47 -1.92 -0.01 0.00 -0.04 0.00 0.00 33.50 32.00 1q91 n PRO 207 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1q91 s ARG 208 N -2.28 4.11 0.32 0.54 0.52 -0.51 -5.01 118.95 116.64 1q91 s ARG 208 Ca 0.39 2.59 0.03 0.00 -0.52 0.00 0.00 55.73 58.22 1q91 s ARG 208 Cb 0.32 -2.99 -0.04 0.00 0.52 0.00 0.00 34.95 32.76 1q91 s ARG 208 CO 0.09 -0.58 0.12 -0.98 0.02 0.00 0.00 175.30 173.97 1q91 s ARG 209 N -1.48 1.65 0.29 3.54 1.70 -1.26 -4.78 118.95 118.60 1q91 s ARG 209 Ca 0.57 -1.94 0.11 0.00 -0.47 0.00 0.00 55.73 53.99 1q91 s ARG 209 Cb -0.47 -0.41 -0.05 0.00 -0.57 0.00 0.00 34.95 33.44 1q91 s ARG 209 CO 0.58 -0.37 -0.16 1.03 -1.08 0.00 0.00 175.30 175.29 1q91 s ARG 210 N -3.85 1.69 -0.25 3.89 0.52 -1.26 -1.36 118.95 118.32 1q91 s ARG 210 Ca 0.33 -1.80 0.02 0.00 -0.52 0.00 0.00 55.73 53.77 1q91 s ARG 210 Cb 0.06 -1.69 0.06 0.00 0.52 0.00 0.00 34.95 33.90 1q91 s ARG 210 CO 0.16 0.26 -0.10 -1.17 0.02 0.00 0.00 175.30 174.47 1q91 s LEU 211 N -3.52 3.21 0.55 2.53 2.96 -0.52 -4.87 118.68 119.02 1q91 s LEU 211 Ca 0.30 -1.32 0.34 0.00 -0.22 0.00 0.00 54.13 53.23 1q91 s LEU 211 Cb -0.02 -1.47 1.46 0.00 0.50 0.00 0.00 46.19 46.65 1q91 s LEU 211 CO 0.15 -0.19 2.02 0.45 -1.32 0.00 0.00 176.35 177.46 1q91 h HIS 212 N 7.82 0.00 0.00 5.38 3.86 -1.95 -2.12 115.15 128.14 1q91 h HIS 212 Ca -0.20 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.01 1q91 h HIS 212 Cb 1.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.52 1q91 h HIS 212 CO 0.60 0.04 0.00 -1.13 0.86 0.00 0.00 177.93 178.30 1q91 n SER 213 N -3.17 0.00 0.00 2.45 3.41 -1.26 -4.40 113.62 110.66 1q91 n SER 213 Ca -0.00 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.70 1q91 n SER 213 Cb 0.29 0.00 0.43 0.00 -0.26 0.00 0.00 64.21 64.67 1q91 n SER 213 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1q91 n TRP 214 N -0.34 0.00 0.19 7.33 7.02 -1.26 -1.61 117.44 128.77 1q91 n TRP 214 Ca 0.00 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.59 1q91 n TRP 214 Cb 0.00 -0.43 0.12 0.00 -2.42 0.00 0.00 31.31 28.59 1q91 n TRP 214 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1q91 h ALA 215 N 2.74 0.88 -2.31 6.99 0.00 -1.92 -3.46 119.26 122.19 1q91 h ALA 215 Ca 0.00 -0.07 -0.48 0.00 0.00 0.00 0.00 54.91 54.36 1q91 h ALA 215 Cb 0.28 -0.00 0.16 0.00 0.00 0.00 0.00 17.79 18.22 1q91 h ALA 215 CO 0.00 0.09 0.22 0.34 0.00 0.00 0.00 179.25 179.90 1q91 s ASP 216 N -6.10 3.09 -1.27 0.00 2.15 -0.63 -4.89 116.67 109.02 1q91 s ASP 216 Ca 0.05 1.55 -0.19 0.00 0.43 0.00 0.00 52.55 54.40 1q91 s ASP 216 Cb 0.06 -2.22 0.02 0.00 -0.30 0.00 0.00 42.92 40.49 1q91 s ASP 216 CO 0.70 -2.89 1.82 -0.67 -0.17 0.00 0.00 175.17 173.96 1q91 n ASP 217 N -4.05 4.36 0.16 -0.34 -0.08 -1.26 -4.76 116.55 110.57 1q91 n ASP 217 Ca 0.07 -2.85 0.01 0.00 -1.51 0.00 0.00 54.79 50.50 1q91 n ASP 217 Cb 0.55 -1.73 0.25 0.00 2.34 0.00 0.00 41.12 42.53 1q91 n ASP 217 CO 0.00 0.00 0.00 4.11 0.12 0.00 0.00 177.20 181.43 1q91 h TRP 218 N 8.05 0.00 -0.54 -0.67 5.08 -1.89 -3.02 115.95 122.95 1q91 h TRP 218 Ca 0.40 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 60.33 1q91 h TRP 218 Cb 0.87 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.01 1q91 h TRP 218 CO 1.37 0.51 0.17 0.87 -1.28 0.00 0.00 178.44 180.09 1q91 h LYS 219 N 0.00 0.81 -0.47 0.12 1.57 -1.99 -1.74 116.57 114.86 1q91 h LYS 219 Ca -0.01 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.57 1q91 h LYS 219 Cb 0.94 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 1q91 h LYS 219 CO 0.07 0.70 0.03 0.00 -0.57 0.00 0.00 179.45 179.67 1q91 h ALA 220 N 1.40 1.17 -0.27 3.86 0.00 -1.94 -0.32 119.26 123.18 1q91 h ALA 220 Ca 0.18 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1q91 h ALA 220 Cb 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1q91 h ALA 220 CO -0.01 0.54 -0.06 0.82 0.00 0.00 0.00 179.25 180.55 1q91 h ILE 221 N 0.71 1.28 -0.43 0.00 2.04 -1.40 -2.42 117.51 117.29 1q91 h ILE 221 Ca 0.15 -1.06 -0.02 0.00 1.00 0.00 0.00 64.86 64.93 1q91 h ILE 221 Cb 0.39 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 1q91 h ILE 221 CO 0.01 0.34 0.20 -0.07 0.00 0.00 0.00 178.15 178.63 1q91 h LEU 222 N 0.27 0.57 -1.76 1.44 4.07 -1.06 -2.80 115.31 116.04 1q91 h LEU 222 Ca 0.07 -0.14 -0.00 0.00 0.08 0.00 0.00 57.88 57.89 1q91 h LEU 222 Cb 0.52 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.11 1q91 h LEU 222 CO 0.02 0.55 0.11 0.44 -1.08 0.00 0.00 178.44 178.48 1q91 h ASP 223 N 0.56 0.23 0.47 -0.43 3.32 -1.00 -1.06 116.42 118.51 1q91 h ASP 223 Ca 0.15 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1q91 h ASP 223 Cb 0.13 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1q91 h ASP 223 CO -0.02 0.19 0.00 -1.54 -1.72 0.00 0.00 179.24 176.15 1q91 n SER 224 N -4.49 0.26 -0.00 6.45 3.41 -0.92 -2.08 113.62 116.25 1q91 n SER 224 Ca -0.00 0.57 0.08 0.00 -0.26 0.00 0.00 58.87 59.26 1q91 n SER 224 Cb 0.09 -0.62 -0.09 0.00 -0.26 0.00 0.00 64.21 63.33 1q91 n SER 224 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1q91 n LYS 225 N -1.79 1.56 -2.17 4.33 4.76 -0.41 -4.99 118.16 119.45 1q91 n LYS 225 Ca 0.02 -0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.13 1q91 n LYS 225 Cb 0.16 -1.28 -0.01 0.00 -1.84 0.00 0.00 35.03 32.06 1q91 n LYS 225 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1q91 s ARG 226 N -2.56 3.56 0.00 1.97 0.52 -0.88 -5.07 118.95 116.49 1q91 s ARG 226 Ca 0.06 1.10 0.00 0.00 -0.52 0.00 0.00 55.73 56.36 1q91 s ARG 226 Cb 0.12 -2.07 0.00 0.00 0.52 0.00 0.00 34.95 33.52 1q91 s ARG 226 CO 0.67 -0.61 0.48 -0.35 0.02 0.00 0.00 175.30 175.51