#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r2q s PHE 3 N 0.00 3.12 0.30 1.61 0.08 -1.26 -4.92 117.98 116.91 2r2q s PHE 3 Ca 0.00 1.18 0.01 0.00 0.12 0.00 0.00 56.93 58.25 2r2q s PHE 3 Cb 0.00 -3.70 0.55 0.00 -0.57 0.00 0.00 43.02 39.30 2r2q s PHE 3 CO 0.00 -2.19 1.90 0.37 -0.10 0.00 0.00 175.22 175.20 2r2q h GLN 4 N 4.83 0.97 -0.77 0.44 5.75 -2.00 -2.68 115.11 121.65 2r2q h GLN 4 Ca -0.46 -0.06 0.13 0.00 -0.15 0.00 0.00 58.65 58.11 2r2q h GLN 4 Cb 1.22 -0.22 -0.05 0.00 1.07 0.00 0.00 27.48 29.50 2r2q h GLN 4 CO 0.75 0.64 0.51 -0.92 -2.65 0.00 0.00 178.83 177.16 2r2q h TYR 5 N 1.00 0.59 0.00 3.99 3.20 -1.97 -0.08 116.97 123.70 2r2q h TYR 5 Ca 0.41 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.21 2r2q h TYR 5 Cb 0.27 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 2r2q h TYR 5 CO -0.00 0.24 -0.42 0.87 -1.64 0.00 0.00 178.16 177.21 2r2q h LYS 6 N 0.52 0.00 -0.02 1.82 1.57 -1.73 -2.57 116.57 116.17 2r2q h LYS 6 Ca 0.37 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.91 2r2q h LYS 6 Cb 0.71 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.03 2r2q h LYS 6 CO -0.13 0.42 -0.96 0.93 -0.57 0.00 0.00 179.45 179.14 2r2q h GLU 7 N 0.00 0.56 0.00 3.15 4.39 -1.08 -3.31 114.58 118.30 2r2q h GLU 7 Ca -0.00 -0.58 0.00 0.00 0.34 0.00 0.00 59.36 59.11 2r2q h GLU 7 Cb 1.05 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2r2q h GLU 7 CO 0.05 1.20 0.00 -0.25 -1.16 0.00 0.00 179.01 178.86 2r2q n ASP 8 N -3.81 0.54 -3.68 1.42 8.00 -0.45 -4.75 116.55 113.82 2r2q n ASP 8 Ca -0.08 0.58 -0.11 0.00 0.71 0.00 0.00 54.79 55.89 2r2q n ASP 8 Cb 0.84 -0.72 -0.11 0.00 -0.02 0.00 0.00 41.12 41.11 2r2q n ASP 8 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2r2q s HIS 9 N -3.14 -0.58 0.72 1.24 3.76 -0.98 -5.08 115.29 111.22 2r2q s HIS 9 Ca 0.09 1.21 -0.14 0.00 -0.15 0.00 0.00 55.06 56.06 2r2q s HIS 9 Cb 0.12 0.17 0.03 0.00 1.11 0.00 0.00 32.58 34.01 2r2q s HIS 9 CO 0.49 -0.37 1.16 -1.25 -0.85 0.00 0.00 174.74 173.91 2r2q s PRO 10 N 2.01 2.33 0.19 8.40 0.04 -1.26 -4.61 135.00 142.10 2r2q s PRO 10 Ca -0.04 1.56 -0.16 0.00 0.04 0.00 0.00 61.00 62.40 2r2q s PRO 10 Cb -0.11 -1.88 0.18 0.00 0.04 0.00 0.00 34.50 32.73 2r2q s PRO 10 CO -0.11 -1.65 1.63 0.35 0.04 0.00 0.00 177.00 177.26 2r2q h PHE 11 N -0.33 -0.40 -0.84 0.56 3.57 -1.99 -1.96 116.94 115.56 2r2q h PHE 11 Ca -0.47 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.17 2r2q h PHE 11 Cb 1.27 0.26 -0.07 0.00 2.79 0.00 0.00 35.95 40.20 2r2q h PHE 11 CO 0.51 -0.27 0.50 0.93 -2.23 0.00 0.00 178.31 177.75 2r2q h GLU 12 N -0.04 0.83 -0.38 1.11 4.39 -1.99 0.11 114.58 118.61 2r2q h GLU 12 Ca 0.26 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.78 2r2q h GLU 12 Cb 0.44 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2r2q h GLU 12 CO -0.58 0.55 -0.27 1.88 -1.16 0.00 0.00 179.01 179.42 2r2q h TYR 13 N 0.86 1.01 -0.71 4.33 -1.99 -1.77 -1.91 116.97 116.79 2r2q h TYR 13 Ca 0.39 -0.28 0.03 0.00 2.00 0.00 0.00 58.73 60.88 2r2q h TYR 13 Cb 0.30 -0.22 -0.05 0.00 2.00 0.00 0.00 36.73 38.77 2r2q h TYR 13 CO -0.05 1.06 0.44 0.00 -0.00 0.00 0.00 178.16 179.61 2r2q h ARG 14 N 0.66 0.82 -0.33 4.88 3.08 -0.60 -1.17 114.38 121.72 2r2q h ARG 14 Ca 0.07 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 2r2q h ARG 14 Cb 0.85 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 2r2q h ARG 14 CO 0.07 0.54 -0.09 -0.22 -1.07 0.00 0.00 179.97 179.21 2r2q h LYS 15 N 0.85 0.64 -0.99 0.04 3.64 -0.74 -0.53 116.57 119.47 2r2q h LYS 15 Ca 0.29 -0.25 0.04 0.00 -1.27 0.00 0.00 60.65 59.46 2r2q h LYS 15 Cb 0.05 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.78 2r2q h LYS 15 CO -0.12 0.82 0.65 0.87 -2.27 0.00 0.00 179.45 179.40 2r2q h LYS 16 N 0.42 1.22 -0.41 1.90 1.57 -1.19 -0.93 116.57 119.15 2r2q h LYS 16 Ca 0.08 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 2r2q h LYS 16 Cb 0.59 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2r2q h LYS 16 CO 0.03 0.81 -0.19 1.49 -0.57 0.00 0.00 179.45 181.02 2r2q h GLU 17 N 1.25 0.84 -0.64 3.15 4.81 -0.82 -1.78 114.58 121.40 2r2q h GLU 17 Ca 0.39 -0.37 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 2r2q h GLU 17 Cb 0.00 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 2r2q h GLU 17 CO -0.12 1.00 0.12 0.78 -0.73 0.00 0.00 179.01 180.06 2r2q h GLY 18 N 0.66 1.13 0.44 1.92 0.00 -0.87 -0.44 103.07 105.90 2r2q h GLY 18 Ca 0.09 -0.74 0.06 0.00 0.00 0.00 0.00 47.33 46.74 2r2q h GLY 18 CO 0.06 0.68 -0.06 0.83 0.00 0.00 0.00 176.54 178.05 2r2q h GLU 19 N 0.96 0.01 -0.36 4.80 5.08 -1.11 -1.24 114.58 122.71 2r2q h GLU 19 Ca 0.20 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.60 2r2q h GLU 19 Cb 0.41 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 2r2q h GLU 19 CO 0.01 0.01 0.12 -0.22 -1.00 0.00 0.00 179.01 177.93 2r2q h LYS 20 N 0.01 0.26 -0.48 2.33 3.64 -0.96 -1.10 116.57 120.28 2r2q h LYS 20 Ca 0.14 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.44 2r2q h LYS 20 Cb 0.21 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 2r2q h LYS 20 CO -0.29 0.17 0.05 0.82 -2.27 0.00 0.00 179.45 177.94 2r2q h ILE 21 N 0.27 1.25 -0.37 2.00 2.04 -0.85 -0.77 117.51 121.09 2r2q h ILE 21 Ca 0.17 -0.97 -0.07 0.00 1.00 0.00 0.00 64.86 64.99 2r2q h ILE 21 Cb 0.15 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 2r2q h ILE 21 CO -0.18 0.34 -0.04 0.03 0.00 0.00 0.00 178.15 178.30 2r2q h ARG 22 N 0.67 0.61 -0.04 2.37 2.47 -0.93 0.10 114.38 119.63 2r2q h ARG 22 Ca 0.14 -0.16 -0.02 0.00 -1.26 0.00 0.00 59.98 58.69 2r2q h ARG 22 Cb 0.43 -0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.68 2r2q h ARG 22 CO 0.01 0.67 -0.04 0.87 0.56 0.00 0.00 179.97 182.04 2r2q h LYS 23 N 0.57 0.10 -0.13 0.04 6.56 -1.03 -3.33 116.57 119.35 2r2q h LYS 23 Ca 0.11 -0.05 -0.17 0.00 -1.06 0.00 0.00 60.65 59.48 2r2q h LYS 23 Cb 0.43 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.09 2r2q h LYS 23 CO 0.02 0.55 -0.64 -0.22 -2.06 0.00 0.00 179.45 177.09 2r2q h LYS 24 N -0.35 0.49 -2.77 3.15 3.64 -0.79 -3.38 116.57 116.55 2r2q h LYS 24 Ca 0.01 -0.35 -0.61 0.00 -1.27 0.00 0.00 60.65 58.43 2r2q h LYS 24 Cb 0.53 0.06 -0.41 0.00 -0.41 0.00 0.00 32.23 31.99 2r2q h LYS 24 CO 0.01 0.97 -0.68 0.66 -2.27 0.00 0.00 179.45 178.13 2r2q n TYR 25 N -3.90 2.25 0.27 1.91 4.01 0.32 -4.98 117.16 117.04 2r2q n TYR 25 Ca -0.04 -4.05 0.14 0.00 -0.16 0.00 0.00 57.90 53.80 2r2q n TYR 25 Cb 0.66 -0.41 0.79 0.00 -0.31 0.00 0.00 39.34 40.06 2r2q n TYR 25 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2r2q h PRO 26 N 5.23 0.00 -0.46 -0.72 0.11 -1.76 -2.69 132.00 131.70 2r2q h PRO 26 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2r2q h PRO 26 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 2r2q h PRO 26 CO 0.65 0.09 0.00 -3.47 -0.21 0.00 0.00 178.00 175.05 2r2q n ASP 27 N -3.56 4.36 -4.61 -2.05 2.03 -1.26 -4.93 116.55 106.53 2r2q n ASP 27 Ca -0.02 -2.64 -0.27 0.00 0.52 0.00 0.00 54.79 52.38 2r2q n ASP 27 Cb 0.21 -0.53 -0.09 0.00 -0.72 0.00 0.00 41.12 40.00 2r2q n ASP 27 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2r2q s ARG 28 N -2.18 2.23 -0.09 -0.67 1.81 -1.02 -1.73 118.95 117.30 2r2q s ARG 28 Ca 0.44 -1.17 0.04 0.00 -1.72 0.00 0.00 55.73 53.33 2r2q s ARG 28 Cb 0.31 -2.27 -0.00 0.00 -0.45 0.00 0.00 34.95 32.55 2r2q s ARG 28 CO 0.17 0.45 -0.24 0.14 -0.68 0.00 0.00 175.30 175.14 2r2q s VAL 29 N -1.67 2.01 -0.02 3.52 -7.23 0.35 -4.83 120.40 112.53 2r2q s VAL 29 Ca 0.26 -1.00 -0.29 0.00 -1.81 0.00 0.00 61.98 59.14 2r2q s VAL 29 Cb -0.09 -1.73 -0.03 0.00 0.56 0.00 0.00 36.38 35.09 2r2q s VAL 29 CO 0.17 0.55 0.94 -2.16 -0.31 0.00 0.00 175.10 174.28 2r2q s PRO 30 N 0.25 4.53 -0.03 4.82 0.04 -1.26 -1.66 135.00 141.69 2r2q s PRO 30 Ca -0.16 1.33 0.02 0.00 0.04 0.00 0.00 61.00 62.24 2r2q s PRO 30 Cb -0.17 -3.46 0.01 0.00 0.04 0.00 0.00 34.50 30.91 2r2q s PRO 30 CO 0.08 -0.05 -0.09 0.08 0.04 0.00 0.00 177.00 177.05 2r2q s VAL 31 N 1.05 0.82 -0.23 -0.36 1.01 -0.24 -2.05 120.40 120.40 2r2q s VAL 31 Ca 0.49 -0.37 -0.09 0.00 0.00 0.00 0.00 61.98 62.01 2r2q s VAL 31 Cb -0.20 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 2r2q s VAL 31 CO 0.26 0.26 0.13 -0.63 0.00 0.00 0.00 175.10 175.11 2r2q s ILE 32 N 0.28 5.07 -0.18 2.22 -1.09 0.16 -0.23 121.20 127.43 2r2q s ILE 32 Ca -0.05 0.08 0.01 0.00 -2.23 0.00 0.00 60.65 58.46 2r2q s ILE 32 Cb -0.10 -3.35 0.02 0.00 -1.58 0.00 0.00 42.46 37.45 2r2q s ILE 32 CO 0.01 0.36 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.20 2r2q s VAL 33 N 1.06 1.98 0.13 2.92 1.01 0.11 -0.89 120.40 126.72 2r2q s VAL 33 Ca 0.06 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.13 2r2q s VAL 33 Cb -0.14 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 2r2q s VAL 33 CO 0.04 0.50 0.00 -1.61 0.00 0.00 0.00 175.10 174.03 2r2q s GLU 34 N 1.32 0.94 0.27 2.72 2.02 -0.79 -4.49 118.70 120.69 2r2q s GLU 34 Ca 0.04 -1.43 -0.29 0.00 0.02 0.00 0.00 54.97 53.31 2r2q s GLU 34 Cb -0.13 -0.04 -0.09 0.00 0.10 0.00 0.00 34.13 33.96 2r2q s GLU 34 CO -0.12 -0.15 1.11 0.21 0.02 0.00 0.00 175.26 176.33 2r2q s LYS 35 N -3.94 4.63 0.57 1.61 2.20 -1.26 -1.39 119.74 122.15 2r2q s LYS 35 Ca 0.20 1.81 -0.21 0.00 -0.36 0.00 0.00 55.97 57.41 2r2q s LYS 35 Cb 0.07 -3.19 -0.04 0.00 -1.51 0.00 0.00 37.83 33.15 2r2q s LYS 35 CO -0.00 0.19 1.30 0.00 -0.36 0.00 0.00 175.35 176.48 2r2q s ALA 36 N -1.08 2.69 0.37 3.13 0.00 0.56 -4.76 121.76 122.68 2r2q s ALA 36 Ca 0.45 1.22 0.11 0.00 0.00 0.00 0.00 51.96 53.73 2r2q s ALA 36 Cb -0.32 -3.53 0.88 0.00 0.00 0.00 0.00 23.12 20.15 2r2q s ALA 36 CO 0.41 -1.32 1.88 -1.00 0.00 0.00 0.00 175.76 175.73 2r2q h PRO 37 N 1.22 0.60 -0.10 0.00 0.13 -1.94 -1.24 132.00 130.66 2r2q h PRO 37 Ca -0.51 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2r2q h PRO 37 Cb 1.30 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2r2q h PRO 37 CO 0.56 0.40 0.00 1.63 -0.23 0.00 0.00 178.00 180.36 2r2q n LYS 38 N -4.54 2.15 -2.22 0.86 4.01 -1.26 -5.00 118.16 112.16 2r2q n LYS 38 Ca 0.17 -1.91 -0.37 0.00 -0.51 0.00 0.00 58.31 55.69 2r2q n LYS 38 Cb 0.49 -1.44 -0.00 0.00 -0.51 0.00 0.00 35.03 33.57 2r2q n LYS 38 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2r2q s ALA 39 N -1.75 2.87 -0.75 7.82 0.00 -0.47 -4.98 121.76 124.50 2r2q s ALA 39 Ca 0.28 0.93 0.03 0.00 0.00 0.00 0.00 51.96 53.20 2r2q s ALA 39 Cb 0.19 -3.39 0.28 0.00 0.00 0.00 0.00 23.12 20.20 2r2q s ALA 39 CO 0.28 -0.74 0.99 0.54 0.00 0.00 0.00 175.76 176.83 2r2q n ARG 40 N -0.77 3.20 -4.09 0.00 3.00 -1.26 -4.91 116.66 111.83 2r2q n ARG 40 Ca 0.09 -4.67 -0.10 0.00 -0.01 0.00 0.00 57.85 53.15 2r2q n ARG 40 Cb 0.49 -2.33 -0.08 0.00 0.00 0.00 0.00 32.46 30.54 2r2q n ARG 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2r2q s VAL 41 N -2.86 0.02 0.65 1.55 -7.23 -1.26 -4.89 120.40 106.37 2r2q s VAL 41 Ca 0.39 -1.69 -0.18 0.00 -1.81 0.00 0.00 61.98 58.69 2r2q s VAL 41 Cb 0.14 -2.24 -0.01 0.00 0.56 0.00 0.00 36.38 34.83 2r2q s VAL 41 CO -0.00 -0.10 1.27 -2.84 -0.31 0.00 0.00 175.10 173.12 2r2q s PRO 42 N -4.07 2.58 0.30 4.82 0.02 -1.26 -5.03 135.00 132.35 2r2q s PRO 42 Ca 0.28 2.01 -0.12 0.00 0.02 0.00 0.00 61.00 63.18 2r2q s PRO 42 Cb 0.04 -1.86 -0.08 0.00 0.02 0.00 0.00 34.50 32.62 2r2q s PRO 42 CO 0.08 -1.56 0.67 -0.51 -0.33 0.00 0.00 177.00 175.35 2r2q s ASP 43 N -1.47 6.69 0.07 2.53 1.01 -1.26 -4.93 116.67 119.31 2r2q s ASP 43 Ca 0.81 1.12 0.01 0.00 0.71 0.00 0.00 52.55 55.20 2r2q s ASP 43 Cb -0.36 -2.31 -0.04 0.00 1.01 0.00 0.00 42.92 41.22 2r2q s ASP 43 CO 0.39 -0.18 0.21 -0.76 0.21 0.00 0.00 175.17 175.04 2r2q s LEU 44 N -3.02 4.31 0.22 1.23 1.43 -1.26 -5.01 118.68 116.59 2r2q s LEU 44 Ca 0.51 0.23 0.11 0.00 -1.03 0.00 0.00 54.13 53.95 2r2q s LEU 44 Cb -0.11 -2.91 0.13 0.00 0.03 0.00 0.00 46.19 43.33 2r2q s LEU 44 CO 0.20 0.16 1.47 0.44 0.23 0.00 0.00 176.35 178.85 2r2q h ASP 45 N 2.99 0.00 -3.63 2.29 5.19 -1.99 -3.43 116.42 117.85 2r2q h ASP 45 Ca -0.46 0.00 -0.62 0.00 -0.62 0.00 0.00 57.03 55.33 2r2q h ASP 45 Cb 1.16 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 40.53 2r2q h ASP 45 CO 0.74 0.73 -0.43 -0.75 -3.12 0.00 0.00 179.24 176.41 2r2q s LYS 46 N -3.16 4.06 -0.06 3.56 2.20 -1.26 -4.94 119.74 120.14 2r2q s LYS 46 Ca 0.00 -0.17 0.11 0.00 -0.36 0.00 0.00 55.97 55.56 2r2q s LYS 46 Cb 0.11 -3.57 -0.16 0.00 -1.51 0.00 0.00 37.83 32.70 2r2q s LYS 46 CO 0.77 -0.03 0.15 0.54 -0.36 0.00 0.00 175.35 176.43 2r2q n ARG 47 N 4.54 1.25 -3.64 4.03 1.74 -1.26 -4.88 116.66 118.44 2r2q n ARG 47 Ca -0.13 -0.06 -0.38 0.00 -0.77 0.00 0.00 57.85 56.51 2r2q n ARG 47 Cb 0.52 -1.29 -0.11 0.00 -1.02 0.00 0.00 32.46 30.56 2r2q n ARG 47 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2r2q s LYS 48 N -2.56 3.67 0.07 5.56 2.20 -1.26 0.04 119.74 127.47 2r2q s LYS 48 Ca -0.05 -0.49 0.08 0.00 -0.36 0.00 0.00 55.97 55.15 2r2q s LYS 48 Cb 0.06 -3.57 -0.04 0.00 -1.51 0.00 0.00 37.83 32.77 2r2q s LYS 48 CO 0.48 -0.27 -0.18 0.71 -0.36 0.00 0.00 175.35 175.73 2r2q s TYR 49 N 1.68 2.55 -0.39 4.03 2.02 0.69 -4.99 117.35 122.94 2r2q s TYR 49 Ca 0.06 -0.26 0.01 0.00 -0.37 0.00 0.00 57.07 56.51 2r2q s TYR 49 Cb -0.16 -1.41 0.12 0.00 -0.40 0.00 0.00 41.96 40.11 2r2q s TYR 49 CO 0.08 0.31 0.17 -1.17 -1.57 0.00 0.00 175.55 173.37 2r2q s LEU 50 N -1.74 2.71 0.11 -1.29 2.96 -1.26 -1.07 118.68 119.09 2r2q s LEU 50 Ca 0.16 -2.25 0.07 0.00 -0.22 0.00 0.00 54.13 51.89 2r2q s LEU 50 Cb -0.11 -1.03 -0.04 0.00 0.50 0.00 0.00 46.19 45.52 2r2q s LEU 50 CO 0.07 -0.33 -0.07 0.68 -1.32 0.00 0.00 176.35 175.38 2r2q s VAL 51 N 0.84 3.52 0.28 1.68 -7.23 -0.67 -4.83 120.40 113.99 2r2q s VAL 51 Ca 0.14 -1.23 -0.30 0.00 -1.81 0.00 0.00 61.98 58.79 2r2q s VAL 51 Cb -0.22 -2.66 -0.13 0.00 0.56 0.00 0.00 36.38 33.93 2r2q s VAL 51 CO -0.09 0.10 1.30 -2.65 -0.31 0.00 0.00 175.10 173.44 2r2q n PRO 52 N 0.62 1.93 0.19 4.82 -0.02 -1.26 -0.49 135.00 140.78 2r2q n PRO 52 Ca -0.13 0.68 0.06 0.00 -2.02 0.00 0.00 63.50 62.10 2r2q n PRO 52 Cb 0.52 -2.26 0.56 0.00 -0.02 0.00 0.00 33.50 32.31 2r2q n PRO 52 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2r2q h SER 53 N 3.25 0.11 0.89 2.55 4.64 -1.66 -1.30 113.55 122.03 2r2q h SER 53 Ca -0.45 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2r2q h SER 53 Cb 1.29 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2r2q h SER 53 CO 0.68 0.11 -0.04 0.47 -0.87 0.00 0.00 176.83 177.19 2r2q n ASP 54 N -4.49 0.05 -4.73 4.97 8.00 -1.26 -0.48 116.55 118.61 2r2q n ASP 54 Ca -0.02 0.34 -0.42 0.00 0.71 0.00 0.00 54.79 55.40 2r2q n ASP 54 Cb 0.11 -0.41 -0.02 0.00 -0.02 0.00 0.00 41.12 40.78 2r2q n ASP 54 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2r2q n LEU 55 N -1.46 4.07 -4.86 0.64 7.94 -0.49 -4.77 117.00 118.08 2r2q n LEU 55 Ca 0.08 1.11 -0.31 0.00 -1.11 0.00 0.00 56.01 55.78 2r2q n LEU 55 Cb 0.32 -1.57 -0.02 0.00 0.53 0.00 0.00 43.42 42.68 2r2q n LEU 55 CO 0.27 0.10 0.62 0.42 -1.11 0.00 0.00 177.39 177.69 2r2q s THR 56 N 0.48 4.64 0.29 1.96 -4.23 -1.26 0.09 115.64 117.61 2r2q s THR 56 Ca 0.69 0.97 0.04 0.00 -1.18 0.00 0.00 61.69 62.21 2r2q s THR 56 Cb -0.52 -3.76 0.28 0.00 1.34 0.00 0.00 72.50 69.85 2r2q s THR 56 CO 0.42 -0.74 1.77 0.58 -0.54 0.00 0.00 174.62 176.11 2r2q h VAL 57 N 0.70 0.71 -0.91 2.29 2.07 -0.31 -1.42 116.25 119.38 2r2q h VAL 57 Ca -0.46 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 66.82 2r2q h VAL 57 Cb 1.19 -0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 2r2q h VAL 57 CO 0.62 0.13 0.60 1.23 0.02 0.00 0.00 177.57 180.18 2r2q h GLY 58 N 0.72 1.30 1.51 2.17 0.00 -1.43 0.72 103.07 108.05 2r2q h GLY 58 Ca 0.54 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 47.33 2r2q h GLY 58 CO -0.38 0.46 -0.08 1.46 0.00 0.00 0.00 176.54 178.00 2r2q h GLN 59 N 1.22 0.60 -0.32 4.80 4.20 -1.62 -1.58 115.11 122.42 2r2q h GLN 59 Ca 0.34 -0.17 -0.10 0.00 0.06 0.00 0.00 58.65 58.78 2r2q h GLN 59 Cb -0.12 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 2r2q h GLN 59 CO -0.08 0.68 -0.20 0.35 -0.67 0.00 0.00 178.83 178.91 2r2q h PHE 60 N 0.56 0.81 -0.60 2.96 3.57 -0.40 -1.99 116.94 121.85 2r2q h PHE 60 Ca 0.11 -0.22 0.11 0.00 3.53 0.00 0.00 57.97 61.50 2r2q h PHE 60 Cb 0.47 -0.18 -0.08 0.00 2.79 0.00 0.00 35.95 38.95 2r2q h PHE 60 CO 0.02 0.94 0.15 1.88 -2.23 0.00 0.00 178.31 179.07 2r2q h TYR 61 N 0.46 0.25 -0.58 0.41 0.99 -0.73 -0.86 116.97 116.91 2r2q h TYR 61 Ca 0.06 0.03 0.09 0.00 2.00 0.00 0.00 58.73 60.92 2r2q h TYR 61 Cb 0.75 -0.02 -0.07 0.00 1.00 0.00 0.00 36.73 38.39 2r2q h TYR 61 CO 0.06 0.00 0.20 0.35 -0.00 0.00 0.00 178.16 178.77 2r2q h PHE 62 N 0.30 0.34 -0.13 4.88 3.57 -0.77 0.21 116.94 125.33 2r2q h PHE 62 Ca 0.31 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.81 2r2q h PHE 62 Cb 0.44 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 2r2q h PHE 62 CO -0.22 0.08 -0.02 -0.07 -2.23 0.00 0.00 178.31 175.84 2r2q h LEU 63 N 0.37 0.24 -0.28 0.59 3.38 -1.00 -2.68 115.31 115.94 2r2q h LEU 63 Ca 0.29 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 2r2q h LEU 63 Cb 0.36 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2r2q h LEU 63 CO -0.30 0.54 -0.03 0.40 0.09 0.00 0.00 178.44 179.14 2r2q h ILE 64 N -0.05 1.27 -0.57 1.22 1.08 -0.84 -2.07 117.51 117.55 2r2q h ILE 64 Ca 0.03 -1.00 0.03 0.00 -0.39 0.00 0.00 64.86 63.54 2r2q h ILE 64 Cb 0.43 1.36 -0.04 0.00 -3.07 0.00 0.00 36.82 35.50 2r2q h ILE 64 CO 0.01 0.32 0.34 0.03 -0.69 0.00 0.00 178.15 178.15 2r2q h ARG 65 N 0.28 0.64 -0.73 2.37 3.08 -0.65 -1.43 114.38 117.94 2r2q h ARG 65 Ca 0.08 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 2r2q h ARG 65 Cb 0.48 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 2r2q h ARG 65 CO 0.02 0.43 0.45 -0.22 -1.07 0.00 0.00 179.97 179.57 2r2q h LYS 66 N 0.66 0.99 0.00 0.04 1.63 -1.35 -1.30 116.57 117.24 2r2q h LYS 66 Ca 0.23 -0.09 -0.04 0.00 -0.85 0.00 0.00 60.65 59.91 2r2q h LYS 66 Cb 0.05 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.46 2r2q h LYS 66 CO -0.11 0.70 -0.17 0.00 -3.45 0.00 0.00 179.45 176.42 2r2q h ARG 67 N 1.00 0.00 -0.63 1.90 3.08 -0.58 -2.13 114.38 117.01 2r2q h ARG 67 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 2r2q h ARG 67 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2r2q h ARG 67 CO -0.05 0.17 0.00 0.44 -1.07 0.00 0.00 179.97 179.46 2r2q n ILE 68 N -3.43 1.75 -3.67 2.04 -5.35 -0.63 -4.98 119.36 105.09 2r2q n ILE 68 Ca -0.01 -1.20 -0.27 0.00 -0.27 0.00 0.00 62.75 61.01 2r2q n ILE 68 Cb 0.35 0.17 0.05 0.00 -1.74 0.00 0.00 39.64 38.46 2r2q n ILE 68 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 2r2q n HIS 69 N 1.10 -2.50 -3.06 4.28 8.25 -0.80 -4.68 115.22 117.81 2r2q n HIS 69 Ca 0.25 0.89 -0.32 0.00 -0.26 0.00 0.00 57.72 58.28 2r2q n HIS 69 Cb 0.85 -4.43 -0.06 0.00 1.12 0.00 0.00 29.99 27.48 2r2q n HIS 69 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2r2q s LEU 70 N -7.21 4.01 0.40 2.41 1.43 -0.54 -5.04 118.68 114.15 2r2q s LEU 70 Ca 0.59 1.29 -0.17 0.00 -1.03 0.00 0.00 54.13 54.81 2r2q s LEU 70 Cb -0.28 -4.11 -0.09 0.00 0.03 0.00 0.00 46.19 41.73 2r2q s LEU 70 CO 0.73 -0.25 0.86 -0.13 0.23 0.00 0.00 176.35 177.78 2r2q s ARG 71 N -3.15 4.06 0.50 1.70 1.81 -1.26 -4.55 118.95 118.06 2r2q s ARG 71 Ca 0.54 0.87 0.36 0.00 -1.72 0.00 0.00 55.73 55.78 2r2q s ARG 71 Cb -0.10 -2.28 1.50 0.00 -0.45 0.00 0.00 34.95 33.62 2r2q s ARG 71 CO 0.19 0.00 1.70 -1.35 -0.68 0.00 0.00 175.30 175.17 2r2q h PRO 72 N 1.82 0.08 -0.01 3.54 0.11 -1.98 -0.17 132.00 135.39 2r2q h PRO 72 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2r2q h PRO 72 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2r2q h PRO 72 CO 0.63 0.05 -0.09 -0.85 -0.21 0.00 0.00 178.00 177.53 2r2q n GLU 73 N -4.30 0.96 -2.82 1.05 0.00 -1.26 -4.86 120.64 109.41 2r2q n GLU 73 Ca 0.33 -0.39 -0.39 0.00 0.00 0.00 0.00 57.16 56.71 2r2q n GLU 73 Cb 1.42 -1.49 -0.06 0.00 0.00 0.00 0.00 31.44 31.30 2r2q n GLU 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2r2q s ASP 74 N -2.31 7.46 0.32 -1.84 1.01 -0.08 -5.03 116.67 116.20 2r2q s ASP 74 Ca 0.33 1.83 -0.29 0.00 0.71 0.00 0.00 52.55 55.13 2r2q s ASP 74 Cb 0.20 -2.57 -0.10 0.00 1.01 0.00 0.00 42.92 41.46 2r2q s ASP 74 CO 0.44 0.07 1.32 0.00 0.21 0.00 0.00 175.17 177.21 2r2q s ALA 75 N -1.36 3.51 -0.17 5.23 0.00 -1.26 -4.87 121.76 122.83 2r2q s ALA 75 Ca 0.44 1.26 -0.14 0.00 0.00 0.00 0.00 51.96 53.52 2r2q s ALA 75 Cb -0.22 -3.49 0.05 0.00 0.00 0.00 0.00 23.12 19.46 2r2q s ALA 75 CO 0.27 -0.65 0.45 -1.17 0.00 0.00 0.00 175.76 174.67 2r2q s LEU 76 N -1.59 0.14 0.01 0.00 2.96 -1.26 -4.56 118.68 114.38 2r2q s LEU 76 Ca 0.50 0.93 0.04 0.00 -0.22 0.00 0.00 54.13 55.39 2r2q s LEU 76 Cb -0.40 1.54 -0.02 0.00 0.50 0.00 0.00 46.19 47.82 2r2q s LEU 76 CO 0.51 -0.17 -0.13 -0.36 -1.32 0.00 0.00 176.35 174.89 2r2q s PHE 77 N 0.55 1.13 -0.12 5.38 0.08 0.01 -4.98 117.98 120.03 2r2q s PHE 77 Ca -0.03 -0.28 -0.11 0.00 0.12 0.00 0.00 56.93 56.64 2r2q s PHE 77 Cb -0.04 -0.70 -0.05 0.00 -0.57 0.00 0.00 43.02 41.66 2r2q s PHE 77 CO -0.03 0.00 0.22 -0.06 -0.10 0.00 0.00 175.22 175.26 2r2q s PHE 78 N -0.57 3.55 -0.24 0.36 0.08 -1.26 -0.88 117.98 119.03 2r2q s PHE 78 Ca 0.03 0.59 -0.07 0.00 0.12 0.00 0.00 56.93 57.60 2r2q s PHE 78 Cb -0.06 -2.14 -0.03 0.00 -0.57 0.00 0.00 43.02 40.22 2r2q s PHE 78 CO 0.00 0.51 0.06 -0.06 -0.10 0.00 0.00 175.22 175.63 2r2q s PHE 79 N -0.41 3.08 -0.22 0.36 0.08 0.51 -4.16 117.98 117.22 2r2q s PHE 79 Ca 0.16 -0.44 -0.02 0.00 0.12 0.00 0.00 56.93 56.74 2r2q s PHE 79 Cb -0.13 -2.21 0.07 0.00 -0.57 0.00 0.00 43.02 40.18 2r2q s PHE 79 CO 0.05 -0.35 0.02 0.08 -0.10 0.00 0.00 175.22 174.92 2r2q s VAL 80 N 1.51 0.80 -1.33 -0.44 1.01 0.26 -1.63 120.40 120.58 2r2q s VAL 80 Ca 0.06 -0.83 -0.08 0.00 0.00 0.00 0.00 61.98 61.12 2r2q s VAL 80 Cb -0.15 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 34.93 2r2q s VAL 80 CO 0.03 -0.25 0.51 0.59 0.00 0.00 0.00 175.10 175.97 2r2q n ASN 81 N 4.93 -1.78 -1.11 3.32 3.02 -1.26 -1.84 115.26 120.54 2r2q n ASN 81 Ca -0.09 -1.05 -0.11 0.00 -0.03 0.00 0.00 54.58 53.30 2r2q n ASN 81 Cb 0.46 -2.94 -0.02 0.00 -0.61 0.00 0.00 39.78 36.66 2r2q n ASN 81 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2r2q n ASN 82 N -2.84 -3.97 -4.04 6.41 0.23 -1.26 -5.00 115.26 104.79 2r2q n ASN 82 Ca -0.24 0.11 -0.08 0.00 -0.53 0.00 0.00 54.58 53.84 2r2q n ASN 82 Cb 0.65 -2.89 -0.10 0.00 -2.08 0.00 0.00 39.78 35.37 2r2q n ASN 82 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 2r2q s THR 83 N -2.50 0.19 -0.35 5.53 -4.23 -0.76 -5.12 115.64 108.40 2r2q s THR 83 Ca 0.00 -1.60 -0.10 0.00 -1.18 0.00 0.00 61.69 58.81 2r2q s THR 83 Cb 0.00 -1.32 0.02 0.00 1.34 0.00 0.00 72.50 72.54 2r2q s THR 83 CO 0.00 -0.88 0.18 -0.63 -0.54 0.00 0.00 174.62 172.75 2r2q s ILE 84 N -3.54 4.50 0.53 2.99 1.01 -1.26 -0.58 121.20 124.85 2r2q s ILE 84 Ca 0.03 -0.73 -0.19 0.00 0.00 0.00 0.00 60.65 59.76 2r2q s ILE 84 Cb 0.05 -3.44 -0.06 0.00 0.01 0.00 0.00 42.46 39.02 2r2q s ILE 84 CO -0.09 -0.12 1.10 -2.16 0.00 0.00 0.00 174.94 173.67 2r2q s PRO 85 N 1.56 3.46 0.54 2.79 0.04 -1.26 -5.00 135.00 137.14 2r2q s PRO 85 Ca 0.03 1.51 -0.18 0.00 0.04 0.00 0.00 61.00 62.39 2r2q s PRO 85 Cb -0.18 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.27 2r2q s PRO 85 CO 0.06 -0.74 1.06 -1.25 0.04 0.00 0.00 177.00 176.17 2r2q s PRO 86 N -3.34 3.50 0.54 0.56 0.04 -1.26 -4.92 135.00 130.11 2r2q s PRO 86 Ca 0.70 1.35 0.20 0.00 0.04 0.00 0.00 61.00 63.29 2r2q s PRO 86 Cb -0.21 -2.05 1.39 0.00 0.04 0.00 0.00 34.50 33.67 2r2q s PRO 86 CO 0.26 -0.68 2.14 1.79 0.04 0.00 0.00 177.00 180.55 2r2q h THR 87 N 1.01 0.86 0.00 1.26 1.35 -1.94 -2.45 112.91 113.00 2r2q h THR 87 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 2r2q h THR 87 Cb 1.23 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 2r2q h THR 87 CO 0.58 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.31 2r2q n SER 88 N -4.37 0.59 -4.77 5.36 3.41 -1.26 -1.24 113.62 111.34 2r2q n SER 88 Ca -0.01 0.58 -0.36 0.00 -0.26 0.00 0.00 58.87 58.82 2r2q n SER 88 Cb 0.17 -0.73 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 2r2q n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2r2q s ALA 89 N -3.13 2.76 0.32 7.33 0.00 -0.92 -4.81 121.76 123.31 2r2q s ALA 89 Ca 0.09 0.90 -0.10 0.00 0.00 0.00 0.00 51.96 52.86 2r2q s ALA 89 Cb 0.13 -3.39 -0.07 0.00 0.00 0.00 0.00 23.12 19.79 2r2q s ALA 89 CO 0.52 -0.81 0.66 0.95 0.00 0.00 0.00 175.76 177.07 2r2q s THR 90 N -1.66 4.86 0.37 0.00 -4.23 -1.26 0.09 115.64 113.80 2r2q s THR 90 Ca 0.71 0.51 0.05 0.00 -1.18 0.00 0.00 61.69 61.78 2r2q s THR 90 Cb -0.27 -3.68 0.22 0.00 1.34 0.00 0.00 72.50 70.11 2r2q s THR 90 CO 0.31 -0.30 1.98 0.24 -0.54 0.00 0.00 174.62 176.30 2r2q h MET 91 N 1.85 0.60 -0.70 3.99 0.00 -0.33 0.23 114.93 120.56 2r2q h MET 91 Ca -0.47 -0.07 0.02 0.00 0.00 0.00 0.00 59.70 59.18 2r2q h MET 91 Cb 1.18 -0.12 -0.04 0.00 0.00 0.00 0.00 31.60 32.62 2r2q h MET 91 CO 0.66 0.48 0.45 0.78 0.00 0.00 0.00 176.91 179.28 2r2q h GLY 92 N 0.73 1.00 0.86 8.32 0.00 -1.02 0.91 103.07 113.87 2r2q h GLY 92 Ca 0.15 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 2r2q h GLY 92 CO -0.02 0.31 -0.04 1.46 0.00 0.00 0.00 176.54 178.25 2r2q h GLN 93 N 0.90 0.49 -0.63 4.80 4.20 -1.62 -1.20 115.11 122.06 2r2q h GLN 93 Ca 0.27 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 2r2q h GLN 93 Cb -0.03 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 2r2q h GLN 93 CO -0.09 0.69 0.29 1.25 -0.67 0.00 0.00 178.83 180.30 2r2q h LEU 94 N 0.25 0.80 -0.08 1.46 5.85 -0.78 -1.68 115.31 121.13 2r2q h LEU 94 Ca 0.07 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2r2q h LEU 94 Cb 0.49 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 2r2q h LEU 94 CO 0.02 0.69 0.01 0.22 -0.34 0.00 0.00 178.44 179.04 2r2q h TYR 95 N 0.88 0.14 -0.57 1.25 3.20 -0.59 -0.83 116.97 120.44 2r2q h TYR 95 Ca 0.22 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.14 2r2q h TYR 95 Cb 0.11 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.28 2r2q h TYR 95 CO 0.01 0.34 0.24 1.49 -1.64 0.00 0.00 178.16 178.60 2r2q h GLU 96 N -0.11 0.43 0.00 1.82 4.81 -0.71 0.35 114.58 121.17 2r2q h GLU 96 Ca 0.02 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 2r2q h GLU 96 Cb 0.28 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 2r2q h GLU 96 CO 0.00 0.29 -0.27 -0.44 -0.73 0.00 0.00 179.01 177.85 2r2q h ASP 97 N 0.45 0.00 0.00 1.04 3.32 -1.23 -3.40 116.42 116.60 2r2q h ASP 97 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 2r2q h ASP 97 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2r2q h ASP 97 CO -0.25 0.27 0.00 0.59 -1.72 0.00 0.00 179.24 178.13 2r2q n ASN 98 N -3.19 0.16 -4.73 6.45 3.02 -0.33 -5.07 115.26 111.58 2r2q n ASN 98 Ca 0.03 -0.49 -0.39 0.00 -0.03 0.00 0.00 54.58 53.70 2r2q n ASN 98 Cb 0.62 0.38 0.04 0.00 -0.61 0.00 0.00 39.78 40.21 2r2q n ASN 98 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2r2q n HIS 99 N -0.38 2.19 -2.01 3.10 1.44 0.07 -4.77 115.22 114.86 2r2q n HIS 99 Ca 0.00 0.44 -0.28 0.00 -2.01 0.00 0.00 57.72 55.87 2r2q n HIS 99 Cb 0.03 -2.35 0.12 0.00 0.12 0.00 0.00 29.99 27.91 2r2q n HIS 99 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2r2q s GLU 100 N -2.77 1.50 0.00 -1.40 2.02 -0.07 -4.94 118.70 113.04 2r2q s GLU 100 Ca 0.70 -0.22 0.16 0.00 0.02 0.00 0.00 54.97 55.63 2r2q s GLU 100 Cb -0.43 -1.98 0.73 0.00 0.10 0.00 0.00 34.13 32.56 2r2q s GLU 100 CO 0.51 -1.82 1.52 0.39 0.02 0.00 0.00 175.26 175.87 2r2q n GLU 101 N -3.38 0.05 -0.07 1.61 -0.58 -1.26 -0.68 120.64 116.34 2r2q n GLU 101 Ca 0.11 0.20 0.09 0.00 -0.42 0.00 0.00 57.16 57.14 2r2q n GLU 101 Cb 0.60 -1.50 0.38 0.00 -0.57 0.00 0.00 31.44 30.36 2r2q n GLU 101 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2r2q n ASP 102 N -1.45 1.22 -0.12 1.62 5.68 -1.26 -4.89 116.55 117.35 2r2q n ASP 102 Ca 0.05 -1.67 -0.02 0.00 -0.50 0.00 0.00 54.79 52.65 2r2q n ASP 102 Cb 0.18 -0.09 -0.01 0.00 -1.14 0.00 0.00 41.12 40.06 2r2q n ASP 102 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 2r2q n TYR 103 N 0.04 0.00 -3.90 2.11 4.01 0.15 -4.02 117.16 115.55 2r2q n TYR 103 Ca 0.15 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.58 2r2q n TYR 103 Cb 0.25 -0.91 -0.04 0.00 -0.31 0.00 0.00 39.34 38.33 2r2q n TYR 103 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2r2q s PHE 104 N -1.78 3.52 -0.11 -0.72 0.08 -1.26 -4.77 117.98 112.94 2r2q s PHE 104 Ca 0.00 0.28 -0.10 0.00 0.12 0.00 0.00 56.93 57.23 2r2q s PHE 104 Cb 0.00 -1.78 -0.05 0.00 -0.57 0.00 0.00 43.02 40.62 2r2q s PHE 104 CO 0.00 0.58 0.22 -1.17 -0.10 0.00 0.00 175.22 174.75 2r2q s LEU 105 N -2.50 4.36 -0.16 -0.37 2.96 -0.87 -0.89 118.68 121.22 2r2q s LEU 105 Ca 0.35 0.55 -0.01 0.00 -0.22 0.00 0.00 54.13 54.80 2r2q s LEU 105 Cb -0.13 -2.23 -0.01 0.00 0.50 0.00 0.00 46.19 44.33 2r2q s LEU 105 CO 0.27 0.32 -0.12 -0.31 -1.32 0.00 0.00 176.35 175.19 2r2q s TYR 106 N -0.65 2.84 -0.11 5.38 2.02 -1.26 -0.67 117.35 124.90 2r2q s TYR 106 Ca 0.16 -0.85 0.00 0.00 -0.37 0.00 0.00 57.07 56.01 2r2q s TYR 106 Cb -0.13 -1.92 0.02 0.00 -0.40 0.00 0.00 41.96 39.53 2r2q s TYR 106 CO 0.05 -0.38 -0.10 0.08 -1.57 0.00 0.00 175.55 173.64 2r2q s VAL 107 N 0.77 1.15 -0.02 0.71 1.01 -0.07 -4.48 120.40 119.46 2r2q s VAL 107 Ca -0.05 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 2r2q s VAL 107 Cb -0.15 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 2r2q s VAL 107 CO 0.01 0.38 0.13 0.00 0.00 0.00 0.00 175.10 175.63 2r2q s ALA 108 N 1.48 3.78 0.08 5.51 0.00 -0.65 -1.88 121.76 130.09 2r2q s ALA 108 Ca 0.01 -0.79 0.08 0.00 0.00 0.00 0.00 51.96 51.27 2r2q s ALA 108 Cb -0.13 -1.76 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 2r2q s ALA 108 CO -0.07 0.71 -0.20 1.52 0.00 0.00 0.00 175.76 177.72 2r2q s TYR 109 N -1.23 2.50 0.01 0.00 -0.85 -0.48 -0.36 117.35 116.94 2r2q s TYR 109 Ca 0.24 -0.29 -0.16 0.00 -0.52 0.00 0.00 57.07 56.34 2r2q s TYR 109 Cb -0.12 -1.39 0.03 0.00 0.38 0.00 0.00 41.96 40.85 2r2q s TYR 109 CO 0.15 0.30 0.34 0.45 -1.52 0.00 0.00 175.55 175.27 2r2q s SER 110 N -1.75 -0.21 0.00 -0.18 0.15 -0.05 -0.32 113.70 111.33 2r2q s SER 110 Ca 0.15 0.03 0.30 0.00 0.70 0.00 0.00 55.95 57.14 2r2q s SER 110 Cb -0.10 0.35 1.51 0.00 -1.71 0.00 0.00 66.02 66.07 2r2q s SER 110 CO 0.07 -0.54 2.01 -0.90 1.20 0.00 0.00 173.24 175.08