#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r5q s GLN 2 N 0.00 1.77 -0.16 0.54 0.74 -1.26 -5.11 119.66 116.18 2r5q s GLN 2 Ca 0.00 -0.44 -0.00 0.00 0.05 0.00 0.00 55.36 54.97 2r5q s GLN 2 Cb 0.00 -1.46 -0.00 0.00 1.10 0.00 0.00 33.01 32.65 2r5q s GLN 2 CO 0.00 0.03 -0.14 0.42 -0.55 0.00 0.00 175.29 175.05 2r5q s ILE 3 N 0.67 2.77 0.56 -2.34 1.01 -1.26 -5.12 121.20 117.49 2r5q s ILE 3 Ca -0.14 -0.73 -0.07 0.00 0.00 0.00 0.00 60.65 59.71 2r5q s ILE 3 Cb -0.16 -2.18 -0.01 0.00 0.01 0.00 0.00 42.46 40.12 2r5q s ILE 3 CO 0.04 0.51 0.89 0.42 0.00 0.00 0.00 174.94 176.79 2r5q s THR 4 N 0.88 4.22 -0.48 2.92 -4.23 -1.26 -5.02 115.64 112.67 2r5q s THR 4 Ca -0.04 0.20 0.15 0.00 -1.18 0.00 0.00 61.69 60.83 2r5q s THR 4 Cb -0.15 -3.65 0.53 0.00 1.34 0.00 0.00 72.50 70.57 2r5q s THR 4 CO -0.01 -0.69 1.44 0.18 -0.54 0.00 0.00 174.62 175.00 2r5q n LEU 5 N -2.51 3.97 0.32 4.79 4.77 -1.26 -4.58 117.00 122.50 2r5q n LEU 5 Ca 0.03 -2.70 0.21 0.00 -0.03 0.00 0.00 56.01 53.52 2r5q n LEU 5 Cb 0.56 -0.49 1.10 0.00 -2.33 0.00 0.00 43.42 42.26 2r5q n LEU 5 CO 0.54 0.70 1.15 -0.50 -1.33 0.00 0.00 177.39 177.95 2r5q h TRP 6 N 2.37 0.00 -4.29 -1.77 4.06 -2.06 -3.42 115.95 110.84 2r5q h TRP 6 Ca 0.00 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.77 2r5q h TRP 6 Cb 1.34 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 29.35 2r5q h TRP 6 CO 0.53 0.01 -0.66 -1.59 -3.56 0.00 0.00 178.44 173.17 2r5q s LYS 7 N -4.20 0.85 0.18 0.49 -2.85 -1.26 -5.12 119.74 107.83 2r5q s LYS 7 Ca -0.04 -1.38 -0.33 0.00 -1.00 0.00 0.00 55.97 53.22 2r5q s LYS 7 Cb 0.13 0.17 -0.14 0.00 -2.06 0.00 0.00 37.83 35.92 2r5q s LYS 7 CO 0.46 -0.19 1.42 0.54 0.10 0.00 0.00 175.35 177.67 2r5q n ARG 8 N -0.04 1.82 -2.55 1.78 1.74 -1.26 -4.84 116.66 113.30 2r5q n ARG 8 Ca -0.08 0.65 -0.42 0.00 -0.77 0.00 0.00 57.85 57.23 2r5q n ARG 8 Cb 0.63 -2.32 -0.01 0.00 -1.02 0.00 0.00 32.46 29.74 2r5q n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2r5q s PRO 9 N 0.18 3.83 0.02 5.56 0.04 -1.26 -4.95 135.00 138.42 2r5q s PRO 9 Ca 0.75 -1.77 -0.16 0.00 0.04 0.00 0.00 61.00 59.86 2r5q s PRO 9 Cb -0.73 -5.49 -0.06 0.00 0.04 0.00 0.00 34.50 28.26 2r5q s PRO 9 CO 0.46 -2.33 0.46 -0.51 0.04 0.00 0.00 177.00 175.11 2r5q s LEU 10 N 4.72 4.49 0.10 -3.56 1.43 -1.26 -1.98 118.68 122.62 2r5q s LEU 10 Ca 0.53 1.05 0.00 0.00 -1.03 0.00 0.00 54.13 54.69 2r5q s LEU 10 Cb 0.03 -2.68 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 2r5q s LEU 10 CO 0.04 0.31 -0.02 0.68 0.23 0.00 0.00 176.35 177.59 2r5q s VAL 11 N -1.08 0.41 0.07 -1.59 -7.23 -0.52 -4.97 120.40 105.50 2r5q s VAL 11 Ca 0.25 -1.89 -0.19 0.00 -1.81 0.00 0.00 61.98 58.34 2r5q s VAL 11 Cb -0.18 -1.75 -0.07 0.00 0.56 0.00 0.00 36.38 34.94 2r5q s VAL 11 CO 0.15 -0.79 0.57 -0.44 -0.31 0.00 0.00 175.10 174.28 2r5q s SER 12 N -3.02 7.06 0.09 4.85 0.01 -1.26 -1.13 113.70 120.29 2r5q s SER 12 Ca 0.14 1.26 0.02 0.00 1.31 0.00 0.00 55.95 58.68 2r5q s SER 12 Cb 0.07 -2.36 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 2r5q s SER 12 CO -0.04 0.27 -0.07 0.27 0.41 0.00 0.00 173.24 174.08 2r5q s ILE 13 N -1.12 0.67 -0.16 1.44 -4.36 0.57 -4.27 121.20 113.98 2r5q s ILE 13 Ca 0.29 -1.73 0.01 0.00 -0.26 0.00 0.00 60.65 58.96 2r5q s ILE 13 Cb -0.19 -1.42 0.02 0.00 1.25 0.00 0.00 42.46 42.12 2r5q s ILE 13 CO 0.19 -0.75 -0.17 -0.75 0.24 0.00 0.00 174.94 173.71 2r5q s LYS 14 N -3.27 2.59 -0.01 0.37 2.20 -0.80 -0.38 119.74 120.44 2r5q s LYS 14 Ca 0.07 -0.67 -0.03 0.00 -0.36 0.00 0.00 55.97 54.97 2r5q s LYS 14 Cb 0.01 -2.29 0.00 0.00 -1.51 0.00 0.00 37.83 34.04 2r5q s LYS 14 CO -0.03 -0.21 0.06 0.54 -0.36 0.00 0.00 175.35 175.34 2r5q s VAL 15 N 1.37 0.04 -1.31 4.02 0.11 -0.29 -1.62 120.40 122.72 2r5q s VAL 15 Ca 0.04 -0.30 -0.08 0.00 -2.93 0.00 0.00 61.98 58.72 2r5q s VAL 15 Cb -0.13 -0.19 0.05 0.00 -1.53 0.00 0.00 36.38 34.58 2r5q s VAL 15 CO -0.11 -0.16 0.47 0.61 -3.33 0.00 0.00 175.10 172.57 2r5q n GLY 16 N 2.49 -0.49 2.78 6.54 0.00 -1.26 -0.74 105.19 114.50 2r5q n GLY 16 Ca -0.16 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2r5q n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r5q n GLY 17 N -1.20 0.54 3.44 -0.02 0.00 -1.26 -4.89 105.19 101.80 2r5q n GLY 17 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 2r5q n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2r5q s GLN 18 N -0.42 1.60 -0.11 1.61 -0.21 0.08 -5.12 119.66 117.09 2r5q s GLN 18 Ca 0.00 -1.40 -0.15 0.00 0.02 0.00 0.00 55.36 53.83 2r5q s GLN 18 Cb 0.00 -1.94 -0.05 0.00 1.00 0.00 0.00 33.01 32.02 2r5q s GLN 18 CO 0.00 0.43 0.39 0.42 -2.12 0.00 0.00 175.29 174.40 2r5q s ILE 19 N -1.44 5.20 0.16 1.08 -1.09 -1.26 -1.14 121.20 122.71 2r5q s ILE 19 Ca 0.19 0.76 -0.04 0.00 -2.23 0.00 0.00 60.65 59.33 2r5q s ILE 19 Cb -0.09 -3.71 -0.03 0.00 -1.58 0.00 0.00 42.46 37.05 2r5q s ILE 19 CO 0.10 0.42 0.16 -0.54 -1.23 0.00 0.00 174.94 173.85 2r5q s LYS 20 N 0.12 1.10 -0.16 2.79 1.02 0.49 -4.97 119.74 120.13 2r5q s LYS 20 Ca 0.22 -1.40 -0.07 0.00 0.02 0.00 0.00 55.97 54.73 2r5q s LYS 20 Cb -0.15 0.30 -0.04 0.00 -0.52 0.00 0.00 37.83 37.42 2r5q s LYS 20 CO 0.08 -0.36 0.08 -2.00 -0.92 0.00 0.00 175.35 172.23 2r5q s GLU 21 N -4.05 3.76 0.13 1.68 2.12 -1.26 -0.31 118.70 120.76 2r5q s GLU 21 Ca 0.26 -0.29 0.01 0.00 0.36 0.00 0.00 54.97 55.31 2r5q s GLU 21 Cb 0.06 -3.18 -0.04 0.00 0.26 0.00 0.00 34.13 31.22 2r5q s GLU 21 CO 0.04 0.44 -0.03 0.00 -0.54 0.00 0.00 175.26 175.18 2r5q s ALA 22 N -0.10 1.08 -0.20 6.30 0.00 -0.29 -4.23 121.76 124.33 2r5q s ALA 22 Ca 0.08 -1.44 -0.05 0.00 0.00 0.00 0.00 51.96 50.54 2r5q s ALA 22 Cb -0.12 0.36 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 2r5q s ALA 22 CO 0.01 -0.29 0.01 -1.17 0.00 0.00 0.00 175.76 174.32 2r5q s LEU 23 N -3.09 3.33 -0.32 0.00 2.96 0.35 -1.44 118.68 120.48 2r5q s LEU 23 Ca 0.17 -0.18 -0.29 0.00 -0.22 0.00 0.00 54.13 53.62 2r5q s LEU 23 Cb 0.06 -1.85 -0.01 0.00 0.50 0.00 0.00 46.19 44.89 2r5q s LEU 23 CO -0.01 0.06 1.56 -0.76 -1.32 0.00 0.00 176.35 175.87 2r5q s LEU 24 N 1.01 3.70 -0.39 -0.68 1.43 -0.84 -1.04 118.68 121.87 2r5q s LEU 24 Ca 0.02 1.24 0.03 0.00 -1.03 0.00 0.00 54.13 54.39 2r5q s LEU 24 Cb -0.14 -3.53 0.11 0.00 0.03 0.00 0.00 46.19 42.65 2r5q s LEU 24 CO 0.02 -1.40 0.13 -0.62 0.23 0.00 0.00 176.35 174.70 2r5q s ASP 25 N 4.41 4.47 0.13 2.29 -1.08 -0.27 -4.79 116.67 121.84 2r5q s ASP 25 Ca 0.68 -2.36 0.19 0.00 -0.52 0.00 0.00 52.55 50.55 2r5q s ASP 25 Cb -0.20 -1.49 0.81 0.00 -1.46 0.00 0.00 42.92 40.58 2r5q s ASP 25 CO 0.31 -0.34 1.60 0.35 0.52 0.00 0.00 175.17 177.60 2r5q n THR 26 N 3.97 0.90 0.75 1.71 -2.24 -1.26 -2.11 114.28 116.01 2r5q n THR 26 Ca 0.04 0.23 0.08 0.00 -2.27 0.00 0.00 64.05 62.14 2r5q n THR 26 Cb 0.39 -1.07 0.25 0.00 -2.10 0.00 0.00 70.33 67.79 2r5q n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2r5q n GLY 27 N 0.02 0.90 3.23 3.38 0.00 -1.26 -4.82 105.19 106.64 2r5q n GLY 27 Ca 0.03 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 2r5q n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r5q s ALA 28 N -1.52 2.17 0.19 4.61 0.00 -0.89 -5.00 121.76 121.30 2r5q s ALA 28 Ca 0.31 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 51.36 2r5q s ALA 28 Cb 0.16 -0.77 0.04 0.00 0.00 0.00 0.00 23.12 22.55 2r5q s ALA 28 CO 0.23 0.33 1.42 -0.44 0.00 0.00 0.00 175.76 177.30 2r5q h ASP 29 N 6.52 0.03 -1.79 0.00 3.32 -1.87 0.97 116.42 123.59 2r5q h ASP 29 Ca -0.23 -0.02 -0.59 0.00 0.02 0.00 0.00 57.03 56.22 2r5q h ASP 29 Cb 1.22 -0.01 -0.10 0.00 0.22 0.00 0.00 39.33 40.66 2r5q h ASP 29 CO 0.47 0.85 -0.58 -1.81 -1.72 0.00 0.00 179.24 176.45 2r5q s ASP 30 N -6.79 4.20 -0.24 6.45 1.01 -1.26 -2.83 116.67 117.21 2r5q s ASP 30 Ca -0.00 -1.07 -0.07 0.00 0.71 0.00 0.00 52.55 52.12 2r5q s ASP 30 Cb 0.11 -0.50 -0.03 0.00 1.01 0.00 0.00 42.92 43.51 2r5q s ASP 30 CO 0.80 -0.35 0.07 -0.89 0.21 0.00 0.00 175.17 175.00 2r5q s THR 31 N -2.57 4.32 -0.02 -1.27 2.01 -1.26 -2.32 115.64 114.53 2r5q s THR 31 Ca 0.37 -0.17 0.03 0.00 0.31 0.00 0.00 61.69 62.23 2r5q s THR 31 Cb 0.02 -3.01 -0.00 0.00 0.01 0.00 0.00 72.50 69.52 2r5q s THR 31 CO 0.20 0.35 -0.12 0.54 -0.69 0.00 0.00 174.62 174.90 2r5q s VAL 32 N 1.50 1.01 0.05 3.82 0.11 -0.41 0.23 120.40 126.70 2r5q s VAL 32 Ca 0.06 -0.50 0.04 0.00 -2.93 0.00 0.00 61.98 58.64 2r5q s VAL 32 Cb -0.15 -0.87 -0.02 0.00 -1.53 0.00 0.00 36.38 33.81 2r5q s VAL 32 CO 0.03 0.30 -0.12 -0.63 -3.33 0.00 0.00 175.10 171.35 2r5q s ILE 33 N -0.00 0.90 0.99 7.04 1.01 0.98 -0.05 121.20 132.06 2r5q s ILE 33 Ca -0.01 -1.08 -0.13 0.00 0.00 0.00 0.00 60.65 59.43 2r5q s ILE 33 Cb -0.08 -0.87 0.08 0.00 0.01 0.00 0.00 42.46 41.60 2r5q s ILE 33 CO 0.01 -0.18 0.47 -1.84 0.00 0.00 0.00 174.94 173.39 2r5q n GLU 34 N 1.62 -0.68 -1.63 2.79 0.28 -1.25 -1.07 120.64 120.69 2r5q n GLU 34 Ca -0.20 -0.16 -0.54 0.00 -0.16 0.00 0.00 57.16 56.09 2r5q n GLU 34 Cb 0.55 -1.92 -0.06 0.00 1.43 0.00 0.00 31.44 31.43 2r5q n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2r5q n GLU 35 N -2.32 1.10 -3.48 3.44 4.07 -1.25 -4.61 120.64 117.60 2r5q n GLU 35 Ca 0.06 0.40 -0.12 0.00 -0.06 0.00 0.00 57.16 57.44 2r5q n GLU 35 Cb 0.55 -2.05 -0.03 0.00 -0.06 0.00 0.00 31.44 29.85 2r5q n GLU 35 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 2r5q s ILE 36 N 1.58 0.01 -0.36 6.31 2.07 -1.26 -5.07 121.20 124.48 2r5q s ILE 36 Ca 0.90 -0.12 -0.20 0.00 -1.41 0.00 0.00 60.65 59.82 2r5q s ILE 36 Cb -1.01 -1.03 0.00 0.00 0.13 0.00 0.00 42.46 40.56 2r5q s ILE 36 CO 0.54 -0.07 0.64 0.00 -1.91 0.00 0.00 174.94 174.14 2r5q s ALA 37 N -3.46 3.45 0.07 1.50 0.00 -1.26 -5.05 121.76 117.02 2r5q s ALA 37 Ca -0.00 -0.87 0.10 0.00 0.00 0.00 0.00 51.96 51.18 2r5q s ALA 37 Cb -0.00 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 2r5q s ALA 37 CO -0.10 -1.36 -0.26 -0.51 0.00 0.00 0.00 175.76 173.53 2r5q s LEU 38 N 2.71 2.22 0.68 0.00 1.43 -1.26 -4.77 118.68 119.68 2r5q s LEU 38 Ca 0.24 -0.64 -0.11 0.00 -1.03 0.00 0.00 54.13 52.59 2r5q s LEU 38 Cb -0.14 -1.23 -0.00 0.00 0.03 0.00 0.00 46.19 44.84 2r5q s LEU 38 CO 0.15 0.22 1.07 -2.16 0.23 0.00 0.00 176.35 175.86 2r5q s PRO 39 N -1.50 3.08 0.06 1.29 0.04 -1.26 -4.97 135.00 131.73 2r5q s PRO 39 Ca 0.12 0.65 0.00 0.00 0.04 0.00 0.00 61.00 61.81 2r5q s PRO 39 Cb -0.10 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2r5q s PRO 39 CO 0.03 -0.92 0.00 0.41 0.04 0.00 0.00 177.00 176.56 2r5q n GLY 40 N -2.69 -3.34 3.89 0.56 0.00 -1.26 -4.95 105.19 97.40 2r5q n GLY 40 Ca 0.07 -1.90 -0.33 0.00 0.00 0.00 0.00 46.02 43.85 2r5q n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2r5q s ARG 41 N -0.82 3.65 0.35 1.61 0.52 -1.26 -5.10 118.95 117.89 2r5q s ARG 41 Ca 0.00 -0.01 0.09 0.00 -0.52 0.00 0.00 55.73 55.30 2r5q s ARG 41 Cb 0.00 -2.93 -0.06 0.00 0.52 0.00 0.00 34.95 32.48 2r5q s ARG 41 CO 0.00 0.52 -0.05 1.67 0.02 0.00 0.00 175.30 177.46 2r5q s TRP 42 N -1.52 2.46 0.11 -0.53 1.48 -1.26 -4.68 118.94 115.00 2r5q s TRP 42 Ca 0.36 -0.48 0.10 0.00 -1.06 0.00 0.00 56.10 55.02 2r5q s TRP 42 Cb -0.13 -1.43 -0.04 0.00 -1.16 0.00 0.00 33.47 30.71 2r5q s TRP 42 CO 0.21 0.54 -0.24 0.15 -4.06 0.00 0.00 176.95 173.55 2r5q s LYS 43 N -3.65 1.29 0.58 3.25 1.02 -0.86 -4.89 119.74 116.49 2r5q s LYS 43 Ca 0.33 -1.25 -0.17 0.00 0.02 0.00 0.00 55.97 54.90 2r5q s LYS 43 Cb 0.02 -1.67 -0.04 0.00 -0.52 0.00 0.00 37.83 35.62 2r5q s LYS 43 CO 0.18 0.39 1.09 -1.25 -0.92 0.00 0.00 175.35 174.84 2r5q s PRO 44 N -1.94 3.23 -0.16 -1.68 0.04 -1.26 -0.62 135.00 132.61 2r5q s PRO 44 Ca 0.10 1.41 -0.28 0.00 0.04 0.00 0.00 61.00 62.28 2r5q s PRO 44 Cb -0.10 -2.01 0.07 0.00 0.04 0.00 0.00 34.50 32.50 2r5q s PRO 44 CO 0.05 -0.91 0.69 0.21 0.04 0.00 0.00 177.00 177.08 2r5q s LYS 45 N -3.73 0.94 -0.11 4.56 2.20 -0.84 -4.80 119.74 117.96 2r5q s LYS 45 Ca 0.68 0.61 -0.01 0.00 -0.36 0.00 0.00 55.97 56.89 2r5q s LYS 45 Cb -0.20 0.45 -0.02 0.00 -1.51 0.00 0.00 37.83 36.55 2r5q s LYS 45 CO 0.33 -0.21 -0.08 -1.64 -0.36 0.00 0.00 175.35 173.38 2r5q s MET 46 N -0.42 3.21 -0.07 4.03 -1.94 -1.26 -0.53 119.30 122.32 2r5q s MET 46 Ca -0.06 -0.59 0.02 0.00 -1.71 0.00 0.00 55.69 53.35 2r5q s MET 46 Cb -0.03 -2.69 0.02 0.00 2.01 0.00 0.00 34.83 34.14 2r5q s MET 46 CO 0.05 0.40 -0.09 0.96 -0.01 0.00 0.00 175.02 176.33 2r5q s ILE 47 N -0.09 0.96 -0.41 2.53 -4.36 -1.02 -4.96 121.20 113.85 2r5q s ILE 47 Ca 0.00 -0.36 -0.18 0.00 -0.26 0.00 0.00 60.65 59.86 2r5q s ILE 47 Cb -0.13 -0.91 0.02 0.00 1.25 0.00 0.00 42.46 42.68 2r5q s ILE 47 CO 0.03 0.32 0.48 -0.83 0.24 0.00 0.00 174.94 175.18 2r5q s GLY 48 N 0.89 1.85 0.00 6.27 0.00 -1.26 -2.51 107.32 112.56 2r5q s GLY 48 Ca -0.11 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.25 2r5q s GLY 48 CO 0.01 1.23 0.00 0.61 0.00 0.00 0.00 173.10 174.95 2r5q n GLY 49 N 5.04 1.00 0.14 0.20 0.00 0.07 -4.93 105.19 106.72 2r5q n GLY 49 Ca -0.06 -1.76 -0.09 0.00 0.00 0.00 0.00 46.02 44.11 2r5q n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2r5q h ILE 50 N 0.00 1.45 -0.58 -0.61 6.09 -2.02 -3.24 117.51 118.60 2r5q h ILE 50 Ca 0.00 -2.41 0.00 0.00 -1.37 0.00 0.00 64.86 61.08 2r5q h ILE 50 Cb 0.00 2.33 0.00 0.00 0.47 0.00 0.00 36.82 39.62 2r5q h ILE 50 CO 0.00 0.71 0.00 0.61 -3.07 0.00 0.00 178.15 176.40 2r5q n GLY 51 N 0.73 2.54 0.00 8.18 0.00 -1.26 -5.05 105.19 110.33 2r5q n GLY 51 Ca -0.04 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.19 2r5q n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r5q n GLY 52 N 0.98 0.10 3.96 -0.02 0.00 -1.22 -5.08 105.19 103.90 2r5q n GLY 52 Ca 0.24 -2.29 -0.22 0.00 0.00 0.00 0.00 46.02 43.74 2r5q n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2r5q s PHE 53 N -0.17 3.27 0.15 1.61 0.40 -1.26 -0.75 117.98 121.23 2r5q s PHE 53 Ca 0.00 0.18 -0.08 0.00 -0.60 0.00 0.00 56.93 56.42 2r5q s PHE 53 Cb 0.00 -2.14 -0.01 0.00 0.51 0.00 0.00 43.02 41.38 2r5q s PHE 53 CO 0.00 -0.17 0.25 0.96 0.70 0.00 0.00 175.22 176.96 2r5q s ILE 54 N -2.42 0.08 -0.09 0.64 -4.36 -1.04 -4.95 121.20 109.06 2r5q s ILE 54 Ca 0.45 -1.37 -0.05 0.00 -0.26 0.00 0.00 60.65 59.43 2r5q s ILE 54 Cb -0.10 -1.74 -0.04 0.00 1.25 0.00 0.00 42.46 41.83 2r5q s ILE 54 CO 0.36 -0.38 0.11 -1.59 0.24 0.00 0.00 174.94 173.68 2r5q s LYS 55 N -3.95 3.30 0.05 0.37 0.00 -1.26 -2.42 119.74 115.83 2r5q s LYS 55 Ca 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 55.97 55.87 2r5q s LYS 55 Cb 0.04 -3.06 -0.04 0.00 0.00 0.00 0.00 37.83 34.77 2r5q s LYS 55 CO -0.02 0.74 -0.03 0.14 0.00 0.00 0.00 175.35 176.18 2r5q s VAL 56 N -1.04 0.24 -0.10 1.79 -7.23 0.31 -4.75 120.40 109.62 2r5q s VAL 56 Ca 0.17 -1.78 -0.18 0.00 -1.81 0.00 0.00 61.98 58.37 2r5q s VAL 56 Cb -0.12 -1.48 -0.04 0.00 0.56 0.00 0.00 36.38 35.30 2r5q s VAL 56 CO 0.06 -0.97 0.49 -0.13 -0.31 0.00 0.00 175.10 174.24 2r5q s ARG 57 N -3.82 4.32 -0.31 4.82 0.52 -0.28 -1.98 118.95 122.23 2r5q s ARG 57 Ca 0.06 0.49 -0.11 0.00 -0.52 0.00 0.00 55.73 55.65 2r5q s ARG 57 Cb 0.07 -3.42 -0.03 0.00 0.52 0.00 0.00 34.95 32.10 2r5q s ARG 57 CO -0.09 0.20 0.19 -1.14 0.02 0.00 0.00 175.30 174.48 2r5q s GLN 58 N 0.46 3.62 -0.07 3.54 0.74 0.21 -0.85 119.66 127.31 2r5q s GLN 58 Ca 0.27 -0.55 0.00 0.00 0.05 0.00 0.00 55.36 55.13 2r5q s GLN 58 Cb -0.16 -3.67 -0.03 0.00 1.10 0.00 0.00 33.01 30.25 2r5q s GLN 58 CO 0.11 -0.34 -0.05 0.71 -0.55 0.00 0.00 175.29 175.18 2r5q s TYR 59 N 1.70 3.01 0.21 1.67 1.51 -0.64 -2.02 117.35 122.79 2r5q s TYR 59 Ca 0.06 0.07 0.07 0.00 -1.01 0.00 0.00 57.07 56.27 2r5q s TYR 59 Cb -0.17 -1.73 -0.04 0.00 -0.11 0.00 0.00 41.96 39.91 2r5q s TYR 59 CO 0.09 0.38 0.08 -0.51 -1.11 0.00 0.00 175.55 174.48 2r5q s ASP 60 N -0.85 5.07 -1.35 2.29 1.01 -1.26 -1.09 116.67 120.48 2r5q s ASP 60 Ca 0.13 -0.36 -0.05 0.00 0.71 0.00 0.00 52.55 52.98 2r5q s ASP 60 Cb -0.11 -1.16 0.02 0.00 1.01 0.00 0.00 42.92 42.68 2r5q s ASP 60 CO 0.02 0.03 0.90 1.67 0.21 0.00 0.00 175.17 178.00 2r5q n GLN 61 N -0.60 -5.83 -3.63 8.23 7.27 -1.11 -4.90 117.38 116.81 2r5q n GLN 61 Ca -0.08 0.69 -0.37 0.00 0.07 0.00 0.00 57.00 57.30 2r5q n GLN 61 Cb 0.57 -5.48 -0.06 0.00 2.41 0.00 0.00 30.24 27.67 2r5q n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2r5q s ILE 62 N -3.47 5.23 0.09 1.69 -1.09 0.02 -4.74 121.20 118.92 2r5q s ILE 62 Ca 0.26 0.59 -0.21 0.00 -2.23 0.00 0.00 60.65 59.06 2r5q s ILE 62 Cb -0.12 -3.60 -0.07 0.00 -1.58 0.00 0.00 42.46 37.09 2r5q s ILE 62 CO 0.79 0.57 0.62 -0.63 -1.23 0.00 0.00 174.94 175.06 2r5q s ILE 63 N -0.86 4.66 -0.11 2.92 1.01 -1.26 -1.29 121.20 126.27 2r5q s ILE 63 Ca 0.20 1.34 -0.06 0.00 0.00 0.00 0.00 60.65 62.13 2r5q s ILE 63 Cb -0.15 -3.96 0.04 0.00 0.01 0.00 0.00 42.46 38.40 2r5q s ILE 63 CO 0.09 0.53 0.26 -0.63 0.00 0.00 0.00 174.94 175.20 2r5q s ILE 64 N -1.03 -0.03 -0.17 2.92 1.01 0.27 -4.42 121.20 119.74 2r5q s ILE 64 Ca 0.31 0.11 -0.15 0.00 0.00 0.00 0.00 60.65 60.92 2r5q s ILE 64 Cb -0.20 -0.40 -0.04 0.00 0.01 0.00 0.00 42.46 41.83 2r5q s ILE 64 CO 0.21 0.04 0.33 -1.61 0.00 0.00 0.00 174.94 173.91 2r5q s GLU 65 N 1.00 4.23 -0.07 2.79 2.02 -0.64 -0.33 118.70 127.70 2r5q s GLU 65 Ca -0.07 0.13 -0.03 0.00 0.02 0.00 0.00 54.97 55.03 2r5q s GLU 65 Cb -0.08 -3.47 0.04 0.00 0.10 0.00 0.00 34.13 30.72 2r5q s GLU 65 CO -0.07 0.13 0.14 0.42 0.02 0.00 0.00 175.26 175.91 2r5q s ILE 66 N 0.78 -0.11 -1.25 -1.63 1.01 0.18 -1.90 121.20 118.28 2r5q s ILE 66 Ca 0.17 0.24 -0.10 0.00 0.00 0.00 0.00 60.65 60.96 2r5q s ILE 66 Cb -0.14 -0.25 -0.01 0.00 0.01 0.00 0.00 42.46 42.08 2r5q s ILE 66 CO 0.06 0.10 0.67 0.00 0.00 0.00 0.00 174.94 175.76 2r5q n GLY 68 N -1.74 0.50 3.39 0.00 0.00 -1.26 -4.92 105.19 101.15 2r5q n GLY 68 Ca -0.20 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 2r5q n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r5q s LYS 69 N -3.94 1.48 -0.04 1.61 1.02 0.76 -5.16 119.74 115.47 2r5q s LYS 69 Ca 0.00 -1.77 0.07 0.00 0.02 0.00 0.00 55.97 54.28 2r5q s LYS 69 Cb 0.00 -0.80 -0.01 0.00 -0.52 0.00 0.00 37.83 36.50 2r5q s LYS 69 CO 0.00 -0.10 -0.24 0.15 -0.92 0.00 0.00 175.35 174.23 2r5q s LYS 70 N -3.85 2.32 -0.02 1.68 1.02 -1.26 0.51 119.74 120.13 2r5q s LYS 70 Ca 0.31 -0.88 0.06 0.00 0.02 0.00 0.00 55.97 55.48 2r5q s LYS 70 Cb 0.06 -2.05 -0.01 0.00 -0.52 0.00 0.00 37.83 35.31 2r5q s LYS 70 CO 0.12 0.42 -0.19 0.00 -0.92 0.00 0.00 175.35 174.78 2r5q s ALA 71 N -0.29 1.62 -0.25 5.17 0.00 0.55 -4.93 121.76 123.63 2r5q s ALA 71 Ca 0.01 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.14 2r5q s ALA 71 Cb -0.12 -0.43 0.07 0.00 0.00 0.00 0.00 23.12 22.64 2r5q s ALA 71 CO 0.02 0.38 0.02 0.42 0.00 0.00 0.00 175.76 176.60 2r5q s ILE 72 N -0.38 1.10 0.00 0.00 1.01 -1.26 -0.57 121.20 121.11 2r5q s ILE 72 Ca 0.06 -1.14 0.00 0.00 0.00 0.00 0.00 60.65 59.56 2r5q s ILE 72 Cb -0.08 -1.59 0.00 0.00 0.01 0.00 0.00 42.46 40.80 2r5q s ILE 72 CO -0.00 -0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.23 2r5q n GLY 73 N 4.81 2.43 3.73 6.18 0.00 -0.41 -4.78 105.19 117.14 2r5q n GLY 73 Ca -0.07 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 2r5q n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2r5q s THR 74 N -2.44 3.59 -0.09 2.61 2.01 -1.26 -0.80 115.64 119.26 2r5q s THR 74 Ca 0.00 1.22 0.01 0.00 0.31 0.00 0.00 61.69 63.23 2r5q s THR 74 Cb 0.00 -3.78 0.02 0.00 0.01 0.00 0.00 72.50 68.75 2r5q s THR 74 CO 0.00 0.14 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.30 2r5q s VAL 75 N 0.57 0.96 -0.09 3.82 1.01 -0.25 -4.49 120.40 121.93 2r5q s VAL 75 Ca 0.58 -0.30 -0.12 0.00 0.00 0.00 0.00 61.98 62.14 2r5q s VAL 75 Cb -0.33 -0.95 -0.05 0.00 0.00 0.00 0.00 36.38 35.05 2r5q s VAL 75 CO 0.33 0.34 0.28 -0.76 0.00 0.00 0.00 175.10 175.29 2r5q s LEU 76 N 1.31 4.37 -0.12 3.92 1.43 0.14 -1.63 118.68 128.10 2r5q s LEU 76 Ca -0.03 0.65 0.01 0.00 -1.03 0.00 0.00 54.13 53.73 2r5q s LEU 76 Cb -0.14 -2.35 -0.01 0.00 0.03 0.00 0.00 46.19 43.73 2r5q s LEU 76 CO -0.03 0.28 -0.16 -0.69 0.23 0.00 0.00 176.35 175.98 2r5q s VAL 77 N -0.56 2.77 0.03 -1.59 1.01 -0.03 -0.02 120.40 122.02 2r5q s VAL 77 Ca 0.18 -0.77 -0.27 0.00 0.00 0.00 0.00 61.98 61.13 2r5q s VAL 77 Cb -0.14 -2.14 0.09 0.00 0.00 0.00 0.00 36.38 34.20 2r5q s VAL 77 CO 0.07 0.54 1.23 -0.83 0.00 0.00 0.00 175.10 176.11 2r5q s GLY 78 N 0.30 -0.09 -0.87 4.51 0.00 -0.23 -1.12 107.32 109.82 2r5q s GLY 78 Ca -0.12 -0.01 -0.18 0.00 0.00 0.00 0.00 44.72 44.41 2r5q s GLY 78 CO 0.06 4.55 2.00 -1.55 0.00 0.00 0.00 173.10 178.16 2r5q n PRO 79 N -0.83 1.75 -3.95 2.90 -0.04 -1.26 -3.82 135.00 129.76 2r5q n PRO 79 Ca 0.01 -1.85 -0.35 0.00 -0.04 0.00 0.00 63.50 61.27 2r5q n PRO 79 Cb 0.59 -2.86 -0.08 0.00 -0.04 0.00 0.00 33.50 31.11 2r5q n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2r5q s THR 80 N 4.51 5.12 0.53 0.52 -1.32 -1.26 -5.00 115.64 118.74 2r5q s THR 80 Ca 0.53 0.07 0.23 0.00 -1.21 0.00 0.00 61.69 61.31 2r5q s THR 80 Cb 0.14 -3.27 0.35 0.00 -1.51 0.00 0.00 72.50 68.21 2r5q s THR 80 CO 0.07 0.53 2.06 -0.65 -2.21 0.00 0.00 174.62 174.42 2r5q h PRO 81 N 5.91 0.00 -3.88 7.08 0.11 -1.99 -3.42 132.00 135.81 2r5q h PRO 81 Ca -0.46 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.52 2r5q h PRO 81 Cb 1.19 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.11 2r5q h PRO 81 CO 0.66 0.00 -0.58 0.08 -0.21 0.00 0.00 178.00 177.94 2r5q s VAL 82 N -4.98 0.14 0.03 3.15 1.01 -1.26 -5.10 120.40 113.38 2r5q s VAL 82 Ca -0.05 -1.12 -0.25 0.00 0.00 0.00 0.00 61.98 60.57 2r5q s VAL 82 Cb 0.18 -0.80 -0.05 0.00 0.00 0.00 0.00 36.38 35.71 2r5q s VAL 82 CO 0.69 -0.62 0.75 0.20 0.00 0.00 0.00 175.10 176.13 2r5q s ASN 83 N -2.02 7.18 -0.08 3.32 0.01 -1.26 -4.73 114.94 117.36 2r5q s ASN 83 Ca -0.07 1.41 0.05 0.00 -0.71 0.00 0.00 52.86 53.54 2r5q s ASN 83 Cb -0.02 -2.46 -0.00 0.00 0.41 0.00 0.00 41.25 39.17 2r5q s ASN 83 CO -0.04 0.00 -0.23 -0.63 -1.51 0.00 0.00 177.10 174.69 2r5q s ILE 84 N 0.04 1.93 -0.53 0.60 1.01 0.92 -0.49 121.20 124.68 2r5q s ILE 84 Ca 0.38 -0.97 -0.14 0.00 0.00 0.00 0.00 60.65 59.92 2r5q s ILE 84 Cb -0.20 -1.66 0.13 0.00 0.01 0.00 0.00 42.46 40.74 2r5q s ILE 84 CO 0.22 0.54 0.47 -0.63 0.00 0.00 0.00 174.94 175.54 2r5q s ILE 85 N 0.14 4.92 0.86 2.92 -1.09 -0.21 -1.29 121.20 127.45 2r5q s ILE 85 Ca -0.11 -1.64 -0.10 0.00 -2.23 0.00 0.00 60.65 56.57 2r5q s ILE 85 Cb -0.16 -4.17 0.17 0.00 -1.58 0.00 0.00 42.46 36.72 2r5q s ILE 85 CO 0.06 -0.85 1.19 -0.83 -1.23 0.00 0.00 174.94 173.28 2r5q s GLY 86 N 3.24 1.77 0.48 6.18 0.00 -0.98 -1.11 107.32 116.90 2r5q s GLY 86 Ca 0.05 -1.40 0.22 0.00 0.00 0.00 0.00 44.72 43.59 2r5q s GLY 86 CO 0.01 -0.72 1.93 3.21 0.00 0.00 0.00 173.10 177.53 2r5q h ARG 87 N -1.18 0.20 -0.46 2.90 3.08 -0.87 -0.74 114.38 117.31 2r5q h ARG 87 Ca -0.41 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.62 2r5q h ARG 87 Cb 1.25 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.23 2r5q h ARG 87 CO 0.40 0.13 0.28 -2.95 -1.07 0.00 0.00 179.97 176.76 2r5q h ASN 88 N 0.20 0.54 0.22 7.04 -1.07 -1.79 -1.07 115.58 119.65 2r5q h ASN 88 Ca 0.36 -0.02 -0.35 0.00 0.07 0.00 0.00 56.30 56.36 2r5q h ASN 88 Cb 1.13 -0.14 -0.03 0.00 -2.07 0.00 0.00 38.32 37.21 2r5q h ASN 88 CO -0.07 0.41 -1.94 0.23 0.07 0.00 0.00 177.43 176.13 2r5q n MET 89 N -4.45 0.73 -0.21 4.14 2.81 -0.46 -3.93 117.12 115.74 2r5q n MET 89 Ca 0.04 0.27 0.00 0.00 -1.81 0.00 0.00 57.70 56.20 2r5q n MET 89 Cb 0.07 -1.73 0.24 0.00 -0.71 0.00 0.00 33.22 31.10 2r5q n MET 89 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2r5q h LEU 90 N 0.05 0.86 -0.75 4.03 3.38 -1.01 -1.94 115.31 119.94 2r5q h LEU 90 Ca -0.39 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.44 2r5q h LEU 90 Cb 2.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.55 2r5q h LEU 90 CO 0.08 0.63 -0.19 0.71 0.09 0.00 0.00 178.44 179.77 2r5q h THR 91 N 1.02 1.27 0.00 0.22 1.35 -1.36 -1.67 112.91 113.73 2r5q h THR 91 Ca 0.27 -1.28 -0.01 0.00 -0.55 0.00 0.00 66.41 64.84 2r5q h THR 91 Cb -0.11 1.17 -0.00 0.00 -1.73 0.00 0.00 68.15 67.48 2r5q h THR 91 CO -0.06 0.43 -0.05 1.56 -0.25 0.00 0.00 175.52 177.15 2r5q h GLN 92 N 0.66 0.00 -0.00 4.72 4.20 -1.48 0.12 115.11 123.33 2r5q h GLN 92 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2r5q h GLN 92 Cb 0.68 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.46 2r5q h GLN 92 CO 0.05 0.05 -0.16 1.28 -0.67 0.00 0.00 178.83 179.38 2r5q n LEU 93 N -4.17 0.29 -1.12 1.46 4.77 -0.79 -4.93 117.00 112.51 2r5q n LEU 93 Ca -0.03 0.19 -0.07 0.00 -0.03 0.00 0.00 56.01 56.08 2r5q n LEU 93 Cb 0.14 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 40.92 2r5q n LEU 93 CO 0.32 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2r5q n GLY 94 N 1.41 0.32 3.77 -0.72 0.00 0.42 -5.02 105.19 105.37 2r5q n GLY 94 Ca 0.10 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 2r5q n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r5q s THR 96 N -1.42 0.31 -0.05 0.00 -4.23 -1.26 -4.77 115.64 104.22 2r5q s THR 96 Ca 0.46 -1.53 -0.10 0.00 -1.18 0.00 0.00 61.69 59.35 2r5q s THR 96 Cb -0.22 -1.13 -0.05 0.00 1.34 0.00 0.00 72.50 72.44 2r5q s THR 96 CO 0.28 -0.79 0.26 -0.76 -0.54 0.00 0.00 174.62 173.08 2r5q s LEU 97 N -2.43 4.42 -0.03 4.79 1.43 -1.26 -5.09 118.68 120.51 2r5q s LEU 97 Ca 0.00 0.67 0.00 0.00 -1.03 0.00 0.00 54.13 53.78 2r5q s LEU 97 Cb 0.01 -2.36 0.03 0.00 0.03 0.00 0.00 46.19 43.90 2r5q s LEU 97 CO -0.06 0.35 0.00 0.20 0.23 0.00 0.00 176.35 177.08 2r5q s ASN 98 N -1.15 0.34 0.00 2.29 0.01 -1.26 -5.29 114.94 109.89 2r5q s ASN 98 Ca 0.20 -0.02 0.00 0.00 -0.71 0.00 0.00 52.86 52.34 2r5q s ASN 98 Cb -0.14 -0.19 0.00 0.00 0.41 0.00 0.00 41.25 41.34 2r5q s ASN 98 CO 0.09 -0.10 0.00 2.22 -1.51 0.00 0.00 177.10 177.80