#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 3.51 -0.12 0.54 0.74 -1.26 -5.10 119.66 117.98 2r5q s GLN 2 Ca 0.00 -0.60 0.01 0.00 0.05 0.00 0.00 55.36 54.83 2r5q s GLN 2 Cb 0.00 -2.85 -0.01 0.00 1.10 0.00 0.00 33.01 31.25 2r5q s GLN 2 CO 0.00 0.12 -0.17 0.42 -0.55 0.00 0.00 175.29 175.11 2r5q s ILE 3 N 0.64 2.68 0.52 -2.34 1.01 -1.26 -5.12 121.20 117.33 2r5q s ILE 3 Ca -0.04 -0.80 -0.04 0.00 0.00 0.00 0.00 60.65 59.77 2r5q s ILE 3 Cb -0.15 -2.09 -0.01 0.00 0.01 0.00 0.00 42.46 40.22 2r5q s ILE 3 CO 0.03 0.54 0.81 0.42 0.00 0.00 0.00 174.94 176.73 2r5q s THR 4 N 0.35 4.18 -0.33 2.92 -4.23 -1.26 -5.03 115.64 112.24 2r5q s THR 4 Ca -0.14 -0.05 0.15 0.00 -1.18 0.00 0.00 61.69 60.47 2r5q s THR 4 Cb -0.17 -3.61 0.45 0.00 1.34 0.00 0.00 72.50 70.52 2r5q s THR 4 CO 0.07 -0.57 1.36 0.18 -0.54 0.00 0.00 174.62 175.12 2r5q n LEU 5 N -2.35 3.52 -0.29 4.79 4.77 -1.26 -4.55 117.00 121.63 2r5q n LEU 5 Ca 0.02 -2.77 0.06 0.00 -0.03 0.00 0.00 56.01 53.28 2r5q n LEU 5 Cb 0.57 -0.45 0.27 0.00 -2.33 0.00 0.00 43.42 41.47 2r5q n LEU 5 CO 0.52 0.68 1.24 -0.50 -1.33 0.00 0.00 177.39 178.00 2r5q h TRP 6 N 1.68 1.00 -2.54 -1.77 4.06 -2.07 -3.42 115.95 112.89 2r5q h TRP 6 Ca 0.00 0.03 -0.51 0.00 2.06 0.00 0.00 58.89 60.46 2r5q h TRP 6 Cb 1.23 -0.33 -0.14 0.00 -1.00 0.00 0.00 29.16 28.93 2r5q h TRP 6 CO 0.39 0.49 -0.64 -1.59 -3.56 0.00 0.00 178.44 173.53 2r5q s LYS 7 N -5.86 1.66 0.18 0.49 -2.85 -1.26 -5.10 119.74 107.00 2r5q s LYS 7 Ca -0.11 -1.89 -0.33 0.00 -1.00 0.00 0.00 55.97 52.64 2r5q s LYS 7 Cb 0.20 -1.15 -0.15 0.00 -2.06 0.00 0.00 37.83 34.68 2r5q s LYS 7 CO 0.80 -0.05 1.32 0.54 0.10 0.00 0.00 175.35 178.06 2r5q n ARG 8 N -0.69 1.57 -1.58 1.78 1.74 -1.26 -4.84 116.66 113.39 2r5q n ARG 8 Ca -0.04 0.56 -0.41 0.00 -0.77 0.00 0.00 57.85 57.19 2r5q n ARG 8 Cb 0.65 -2.17 -0.01 0.00 -1.02 0.00 0.00 32.46 29.91 2r5q n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2r5q n PRO 9 N 2.18 3.28 -2.82 5.56 -0.04 -1.26 -4.95 135.00 136.95 2r5q n PRO 9 Ca 0.15 -2.48 -0.38 0.00 -0.04 0.00 0.00 63.50 60.74 2r5q n PRO 9 Cb 0.26 -3.06 -0.06 0.00 -0.04 0.00 0.00 33.50 30.61 2r5q n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2r5q s LEU 10 N 1.16 4.49 0.19 1.53 1.43 -1.26 -2.03 118.68 124.20 2r5q s LEU 10 Ca 0.57 1.82 -0.03 0.00 -1.03 0.00 0.00 54.13 55.45 2r5q s LEU 10 Cb 0.16 -3.73 -0.03 0.00 0.03 0.00 0.00 46.19 42.61 2r5q s LEU 10 CO -0.07 0.06 0.17 0.68 0.23 0.00 0.00 176.35 177.42 2r5q s VAL 11 N -1.38 0.03 -0.10 -1.59 -7.23 0.45 -4.95 120.40 105.63 2r5q s VAL 11 Ca 0.44 -1.84 -0.16 0.00 -1.81 0.00 0.00 61.98 58.61 2r5q s VAL 11 Cb -0.22 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 2r5q s VAL 11 CO 0.27 -0.13 0.41 -0.55 -0.31 0.00 0.00 175.10 174.78 2r5q s SER 12 N -3.10 6.64 0.13 4.85 0.15 -1.26 -1.19 113.70 119.92 2r5q s SER 12 Ca 0.31 0.76 0.08 0.00 0.70 0.00 0.00 55.95 57.80 2r5q s SER 12 Cb 0.06 -2.25 -0.04 0.00 -1.71 0.00 0.00 66.02 62.08 2r5q s SER 12 CO 0.08 0.11 -0.18 0.27 1.20 0.00 0.00 173.24 174.72 2r5q s ILE 13 N 0.14 1.64 -0.35 6.45 -4.36 0.49 -4.43 121.20 120.78 2r5q s ILE 13 Ca 0.23 -1.69 -0.05 0.00 -0.26 0.00 0.00 60.65 58.88 2r5q s ILE 13 Cb -0.15 -1.62 0.06 0.00 1.25 0.00 0.00 42.46 42.01 2r5q s ILE 13 CO 0.09 -0.23 0.11 -0.75 0.24 0.00 0.00 174.94 174.41 2r5q s LYS 14 N -2.34 2.45 0.01 0.37 2.20 0.45 -0.92 119.74 121.96 2r5q s LYS 14 Ca 0.09 -1.35 0.01 0.00 -0.36 0.00 0.00 55.97 54.36 2r5q s LYS 14 Cb -0.08 -3.44 -0.01 0.00 -1.51 0.00 0.00 37.83 32.80 2r5q s LYS 14 CO 0.05 -0.76 -0.03 0.54 -0.36 0.00 0.00 175.35 174.79 2r5q s VAL 15 N 1.31 0.19 -1.43 4.02 0.11 0.18 -1.16 120.40 123.63 2r5q s VAL 15 Ca -0.00 -0.40 -0.08 0.00 -2.93 0.00 0.00 61.98 58.57 2r5q s VAL 15 Cb -0.21 -0.22 0.04 0.00 -1.53 0.00 0.00 36.38 34.46 2r5q s VAL 15 CO 0.00 -0.14 0.61 0.61 -3.33 0.00 0.00 175.10 172.85 2r5q n GLY 16 N 2.49 -0.51 2.82 6.54 0.00 -1.26 0.25 105.19 115.52 2r5q n GLY 16 Ca -0.16 0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.40 0.23 3.45 -0.02 0.00 -1.26 -4.95 105.19 101.25 2r5q n GLY 17 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.10 1.66 -0.29 1.61 -0.21 0.14 -5.12 119.66 116.35 2r5q s GLN 18 Ca 0.00 -1.23 -0.09 0.00 0.02 0.00 0.00 55.36 54.05 2r5q s GLN 18 Cb 0.00 -2.04 -0.02 0.00 1.00 0.00 0.00 33.01 31.95 2r5q s GLN 18 CO 0.00 0.47 0.14 0.42 -2.12 0.00 0.00 175.29 174.20 2r5q s ILE 19 N -1.11 4.70 0.31 1.08 1.01 -1.26 0.52 121.20 126.45 2r5q s ILE 19 Ca 0.17 -0.23 0.04 0.00 0.00 0.00 0.00 60.65 60.63 2r5q s ILE 19 Cb -0.10 -3.32 -0.06 0.00 0.01 0.00 0.00 42.46 38.99 2r5q s ILE 19 CO 0.09 0.17 0.03 -0.54 0.00 0.00 0.00 174.94 174.68 2r5q s LYS 20 N 1.65 1.60 -0.12 2.79 1.02 -0.10 -4.95 119.74 121.63 2r5q s LYS 20 Ca 0.06 -1.87 -0.06 0.00 0.02 0.00 0.00 55.97 54.12 2r5q s LYS 20 Cb -0.16 -0.91 -0.04 0.00 -0.52 0.00 0.00 37.83 36.20 2r5q s LYS 20 CO 0.07 -0.13 0.09 -2.00 -0.92 0.00 0.00 175.35 172.46 2r5q s GLU 21 N -3.85 3.44 0.15 1.68 2.12 -1.26 -0.38 118.70 120.59 2r5q s GLU 21 Ca 0.34 -0.24 -0.09 0.00 0.36 0.00 0.00 54.97 55.35 2r5q s GLU 21 Cb 0.08 -3.10 -0.01 0.00 0.26 0.00 0.00 34.13 31.35 2r5q s GLU 21 CO 0.14 0.66 0.26 0.00 -0.54 0.00 0.00 175.26 175.79 2r5q s ALA 22 N -0.72 -0.05 -0.18 6.30 0.00 -0.34 -4.43 121.76 122.34 2r5q s ALA 22 Ca 0.13 -0.82 -0.04 0.00 0.00 0.00 0.00 51.96 51.23 2r5q s ALA 22 Cb -0.12 0.78 -0.02 0.00 0.00 0.00 0.00 23.12 23.75 2r5q s ALA 22 CO 0.03 -0.61 -0.03 -1.17 0.00 0.00 0.00 175.76 173.98 2r5q s LEU 23 N -2.94 3.20 -0.41 0.00 2.96 0.38 -0.41 118.68 121.45 2r5q s LEU 23 Ca 0.14 -0.19 -0.29 0.00 -0.22 0.00 0.00 54.13 53.57 2r5q s LEU 23 Cb 0.04 -1.79 0.01 0.00 0.50 0.00 0.00 46.19 44.95 2r5q s LEU 23 CO -0.03 0.11 1.42 -0.76 -1.32 0.00 0.00 176.35 175.77 2r5q s LEU 24 N 0.75 3.58 -0.32 -0.68 1.43 -0.86 -1.51 118.68 121.06 2r5q s LEU 24 Ca -0.01 0.83 0.01 0.00 -1.03 0.00 0.00 54.13 53.93 2r5q s LEU 24 Cb -0.14 -3.53 0.08 0.00 0.03 0.00 0.00 46.19 42.62 2r5q s LEU 24 CO 0.02 -1.45 0.03 -0.62 0.23 0.00 0.00 176.35 174.55 2r5q s ASP 25 N 4.02 4.81 0.51 2.29 -1.08 -0.82 -4.81 116.67 121.59 2r5q s ASP 25 Ca 0.62 -1.72 0.32 0.00 -0.52 0.00 0.00 52.55 51.25 2r5q s ASP 25 Cb -0.14 -1.67 1.23 0.00 -1.46 0.00 0.00 42.92 40.89 2r5q s ASP 25 CO 0.33 -0.33 1.92 0.71 0.52 0.00 0.00 175.17 178.32 2r5q h THR 26 N 6.57 0.00 0.00 1.71 1.35 -1.93 -2.88 112.91 117.73 2r5q h THR 26 Ca -0.14 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 2r5q h THR 26 Cb 1.04 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 2r5q h THR 26 CO 0.54 0.00 -0.31 0.61 -0.25 0.00 0.00 175.52 176.11 2r5q n GLY 27 N 0.15 -1.35 3.66 5.82 0.00 -1.26 -4.84 105.19 107.36 2r5q n GLY 27 Ca 0.01 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.00 3.56 0.24 4.61 0.00 -1.09 -4.95 121.76 121.13 2r5q s ALA 28 Ca 0.12 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 51.54 2r5q s ALA 28 Cb 0.18 -2.69 0.27 0.00 0.00 0.00 0.00 23.12 20.89 2r5q s ALA 28 CO 0.64 -0.41 1.59 -0.44 0.00 0.00 0.00 175.76 177.14 2r5q h ASP 29 N 7.55 0.38 -1.53 0.00 3.32 -1.88 0.89 116.42 125.15 2r5q h ASP 29 Ca -0.34 -0.19 -0.61 0.00 0.02 0.00 0.00 57.03 55.91 2r5q h ASP 29 Cb 1.16 -0.11 -0.11 0.00 0.22 0.00 0.00 39.33 40.49 2r5q h ASP 29 CO 0.71 0.83 -0.55 -1.81 -1.72 0.00 0.00 179.24 176.70 2r5q s ASP 30 N -6.89 4.12 -0.17 6.45 1.01 -1.26 -3.20 116.67 116.73 2r5q s ASP 30 Ca -0.05 -1.27 -0.02 0.00 0.71 0.00 0.00 52.55 51.91 2r5q s ASP 30 Cb 0.12 -0.35 -0.02 0.00 1.01 0.00 0.00 42.92 43.68 2r5q s ASP 30 CO 0.80 -0.53 -0.07 -0.89 0.21 0.00 0.00 175.17 174.69 2r5q s THR 31 N -2.68 3.40 -0.03 -1.27 2.01 -1.26 -2.52 115.64 113.28 2r5q s THR 31 Ca 0.35 -0.52 0.00 0.00 0.31 0.00 0.00 61.69 61.84 2r5q s THR 31 Cb 0.07 -2.49 0.03 0.00 0.01 0.00 0.00 72.50 70.12 2r5q s THR 31 CO 0.19 0.48 -0.00 0.54 -0.69 0.00 0.00 174.62 175.14 2r5q s VAL 32 N 0.74 0.21 0.06 3.82 0.11 0.17 -0.54 120.40 124.96 2r5q s VAL 32 Ca -0.03 0.09 0.08 0.00 -2.93 0.00 0.00 61.98 59.18 2r5q s VAL 32 Cb -0.15 -0.31 -0.03 0.00 -1.53 0.00 0.00 36.38 34.36 2r5q s VAL 32 CO 0.02 0.16 -0.19 -0.63 -3.33 0.00 0.00 175.10 171.13 2r5q s ILE 33 N 1.15 2.72 1.11 7.04 -1.09 0.98 -0.71 121.20 132.40 2r5q s ILE 33 Ca -0.08 -1.27 -0.15 0.00 -2.23 0.00 0.00 60.65 56.92 2r5q s ILE 33 Cb -0.13 -2.15 0.18 0.00 -1.58 0.00 0.00 42.46 38.77 2r5q s ILE 33 CO -0.02 0.30 0.54 -1.84 -1.23 0.00 0.00 174.94 172.69 2r5q n GLU 34 N 1.44 -1.75 -1.54 2.79 0.28 -1.26 -1.84 120.64 118.75 2r5q n GLU 34 Ca -0.16 -0.48 -0.60 0.00 -0.16 0.00 0.00 57.16 55.75 2r5q n GLU 34 Cb 0.52 -1.96 -0.09 0.00 1.43 0.00 0.00 31.44 31.35 2r5q n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2r5q n GLU 35 N -3.37 0.00 -3.60 3.44 -0.58 -1.25 -4.57 120.64 110.71 2r5q n GLU 35 Ca 0.03 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.61 2r5q n GLU 35 Cb 0.57 -1.43 -0.07 0.00 -0.57 0.00 0.00 31.44 29.94 2r5q n GLU 35 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 2r5q s ILE 36 N 1.38 0.00 -0.18 -3.67 2.07 -1.26 -5.06 121.20 114.48 2r5q s ILE 36 Ca 0.93 -0.04 -0.29 0.00 -1.41 0.00 0.00 60.65 59.84 2r5q s ILE 36 Cb -1.32 -0.94 0.00 0.00 0.13 0.00 0.00 42.46 40.34 2r5q s ILE 36 CO 0.66 -0.02 1.04 0.00 -1.91 0.00 0.00 174.94 174.71 2r5q s ALA 37 N -0.49 3.59 0.04 1.50 0.00 -1.26 -5.04 121.76 120.11 2r5q s ALA 37 Ca -0.06 0.27 0.05 0.00 0.00 0.00 0.00 51.96 52.21 2r5q s ALA 37 Cb -0.03 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 2r5q s ALA 37 CO 0.05 -0.90 -0.13 -0.51 0.00 0.00 0.00 175.76 174.26 2r5q s LEU 38 N 2.81 2.17 0.50 0.00 1.43 -1.26 -4.83 118.68 119.49 2r5q s LEU 38 Ca 0.46 -0.45 -0.18 0.00 -1.03 0.00 0.00 54.13 52.93 2r5q s LEU 38 Cb -0.17 -0.57 -0.08 0.00 0.03 0.00 0.00 46.19 45.40 2r5q s LEU 38 CO 0.11 0.02 1.00 -2.16 0.23 0.00 0.00 176.35 175.55 2r5q s PRO 39 N -1.12 3.90 0.00 1.29 0.04 -1.26 -4.94 135.00 132.91 2r5q s PRO 39 Ca 0.01 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.18 2r5q s PRO 39 Cb -0.08 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2r5q s PRO 39 CO 0.01 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.14 2r5q n GLY 40 N -0.93 0.35 3.94 0.56 0.00 -1.26 -4.92 105.19 102.94 2r5q n GLY 40 Ca 0.08 -2.04 -0.24 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.16 3.49 0.19 1.61 0.52 -1.26 -5.10 118.95 117.24 2r5q s ARG 41 Ca 0.00 -0.45 0.05 0.00 -0.52 0.00 0.00 55.73 54.81 2r5q s ARG 41 Cb 0.00 -2.79 -0.05 0.00 0.52 0.00 0.00 34.95 32.63 2r5q s ARG 41 CO 0.00 0.32 -0.08 1.67 0.02 0.00 0.00 175.30 177.23 2r5q s TRP 42 N -2.06 1.47 0.04 -0.53 1.48 -1.26 -4.61 118.94 113.48 2r5q s TRP 42 Ca 0.38 -0.77 0.08 0.00 -1.06 0.00 0.00 56.10 54.72 2r5q s TRP 42 Cb -0.10 -0.78 -0.03 0.00 -1.16 0.00 0.00 33.47 31.41 2r5q s TRP 42 CO 0.31 0.10 -0.21 -1.59 -4.06 0.00 0.00 176.95 171.50 2r5q s LYS 43 N -3.76 1.45 0.39 3.25 -2.85 -1.04 -4.90 119.74 112.28 2r5q s LYS 43 Ca 0.22 -0.96 -0.25 0.00 -1.00 0.00 0.00 55.97 53.98 2r5q s LYS 43 Cb 0.03 -1.57 -0.09 0.00 -2.06 0.00 0.00 37.83 34.15 2r5q s LYS 43 CO 0.05 0.40 1.12 -1.25 0.10 0.00 0.00 175.35 175.77 2r5q s PRO 44 N -1.18 4.11 -0.04 1.78 0.04 -1.26 -0.25 135.00 138.20 2r5q s PRO 44 Ca 0.08 1.72 -0.11 0.00 0.04 0.00 0.00 61.00 62.73 2r5q s PRO 44 Cb -0.09 -2.65 0.02 0.00 0.04 0.00 0.00 34.50 31.82 2r5q s PRO 44 CO 0.02 -0.24 0.25 0.21 0.04 0.00 0.00 177.00 177.28 2r5q s LYS 45 N -2.32 0.50 -0.20 4.56 2.20 0.02 -4.86 119.74 119.64 2r5q s LYS 45 Ca 0.57 -0.06 -0.05 0.00 -0.36 0.00 0.00 55.97 56.07 2r5q s LYS 45 Cb -0.28 0.22 -0.02 0.00 -1.51 0.00 0.00 37.83 36.24 2r5q s LYS 45 CO 0.35 -0.12 -0.00 -1.64 -0.36 0.00 0.00 175.35 173.58 2r5q s MET 46 N -0.85 3.61 -0.00 4.03 -1.94 -1.26 -0.29 119.30 122.59 2r5q s MET 46 Ca -0.09 -0.53 0.08 0.00 -1.71 0.00 0.00 55.69 53.44 2r5q s MET 46 Cb -0.05 -3.07 -0.02 0.00 2.01 0.00 0.00 34.83 33.70 2r5q s MET 46 CO 0.02 0.01 -0.26 0.96 -0.01 0.00 0.00 175.02 175.75 2r5q s ILE 47 N 0.99 2.05 0.31 2.53 -4.36 -0.91 -4.97 121.20 116.85 2r5q s ILE 47 Ca 0.02 -1.17 0.09 0.00 -0.26 0.00 0.00 60.65 59.33 2r5q s ILE 47 Cb -0.14 -1.71 -0.06 0.00 1.25 0.00 0.00 42.46 41.80 2r5q s ILE 47 CO 0.02 0.52 -0.10 -0.83 0.24 0.00 0.00 174.94 174.78 2r5q s GLY 48 N -0.76 2.02 0.00 6.27 0.00 -1.26 -1.33 107.32 112.25 2r5q s GLY 48 Ca 0.10 -1.99 0.00 0.00 0.00 0.00 0.00 44.72 42.83 2r5q s GLY 48 CO -0.00 -1.96 0.00 0.61 0.00 0.00 0.00 173.10 171.75 2r5q n GLY 49 N -0.69 1.55 3.70 0.20 0.00 -0.81 -4.98 105.19 104.16 2r5q n GLY 49 Ca -0.05 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 2r5q n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r5q s ILE 50 N -1.83 2.86 0.00 -0.61 -1.09 -1.26 -1.94 121.20 117.33 2r5q s ILE 50 Ca 0.00 0.43 0.00 0.00 -2.23 0.00 0.00 60.65 58.85 2r5q s ILE 50 Cb 0.00 -3.27 0.00 0.00 -1.58 0.00 0.00 42.46 37.61 2r5q s ILE 50 CO 0.00 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.33 2r5q n GLY 51 N 3.95 2.74 0.00 6.18 0.00 -1.26 -4.98 105.19 111.82 2r5q n GLY 51 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.69 0.50 3.82 -0.02 0.00 -0.82 -5.08 105.19 101.91 2r5q n GLY 52 Ca 0.00 -2.22 -0.29 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.50 3.26 0.20 1.61 0.40 -1.26 -1.92 117.98 119.77 2r5q s PHE 53 Ca 0.00 0.08 0.06 0.00 -0.60 0.00 0.00 56.93 56.46 2r5q s PHE 53 Cb 0.00 -1.61 -0.05 0.00 0.51 0.00 0.00 43.02 41.87 2r5q s PHE 53 CO 0.00 0.53 -0.09 0.96 0.70 0.00 0.00 175.22 177.32 2r5q s ILE 54 N -1.56 1.38 -0.13 0.64 -4.36 -0.44 -4.98 121.20 111.75 2r5q s ILE 54 Ca 0.31 -2.11 -0.08 0.00 -0.26 0.00 0.00 60.65 58.51 2r5q s ILE 54 Cb -0.11 -2.10 -0.04 0.00 1.25 0.00 0.00 42.46 41.45 2r5q s ILE 54 CO 0.24 -0.55 0.16 -0.75 0.24 0.00 0.00 174.94 174.29 2r5q s LYS 55 N -3.74 3.61 0.10 0.37 2.20 -1.26 -2.13 119.74 118.89 2r5q s LYS 55 Ca 0.23 -0.10 -0.01 0.00 -0.36 0.00 0.00 55.97 55.72 2r5q s LYS 55 Cb 0.02 -3.23 -0.04 0.00 -1.51 0.00 0.00 37.83 33.07 2r5q s LYS 55 CO 0.06 0.68 0.03 0.14 -0.36 0.00 0.00 175.35 175.90 2r5q s VAL 56 N -0.77 0.15 -0.21 4.02 -7.23 0.60 -4.40 120.40 112.56 2r5q s VAL 56 Ca 0.15 -1.84 -0.09 0.00 -1.81 0.00 0.00 61.98 58.39 2r5q s VAL 56 Cb -0.12 -1.81 -0.05 0.00 0.56 0.00 0.00 36.38 34.96 2r5q s VAL 56 CO 0.04 -0.68 0.12 -0.13 -0.31 0.00 0.00 175.10 174.14 2r5q s ARG 57 N -3.99 4.09 -0.38 4.82 0.52 0.64 -0.80 118.95 123.85 2r5q s ARG 57 Ca 0.17 -0.27 -0.17 0.00 -0.52 0.00 0.00 55.73 54.94 2r5q s ARG 57 Cb 0.07 -3.40 0.00 0.00 0.52 0.00 0.00 34.95 32.15 2r5q s ARG 57 CO -0.03 0.22 0.43 -1.14 0.02 0.00 0.00 175.30 174.80 2r5q s GLN 58 N 0.57 3.38 -0.10 3.54 0.74 0.65 -0.79 119.66 127.66 2r5q s GLN 58 Ca 0.07 -0.49 -0.02 0.00 0.05 0.00 0.00 55.36 54.96 2r5q s GLN 58 Cb -0.12 -3.87 -0.03 0.00 1.10 0.00 0.00 33.01 30.08 2r5q s GLN 58 CO 0.00 -0.70 -0.01 0.71 -0.55 0.00 0.00 175.29 174.75 2r5q s TYR 59 N 2.18 3.13 0.30 1.67 1.51 -0.50 -2.51 117.35 123.13 2r5q s TYR 59 Ca 0.14 0.10 0.07 0.00 -1.01 0.00 0.00 57.07 56.37 2r5q s TYR 59 Cb -0.16 -1.83 -0.03 0.00 -0.11 0.00 0.00 41.96 39.83 2r5q s TYR 59 CO 0.13 0.36 0.24 -0.51 -1.11 0.00 0.00 175.55 174.66 2r5q s ASP 60 N -0.61 5.30 -1.26 2.29 1.01 -1.26 -0.98 116.67 121.16 2r5q s ASP 60 Ca 0.10 -0.44 -0.08 0.00 0.71 0.00 0.00 52.55 52.84 2r5q s ASP 60 Cb -0.12 -1.10 0.01 0.00 1.01 0.00 0.00 42.92 42.72 2r5q s ASP 60 CO 0.02 -0.23 1.03 0.00 0.21 0.00 0.00 175.17 176.21 2r5q n GLN 61 N -1.27 -7.01 -3.68 8.23 1.13 -1.01 -4.93 117.38 108.83 2r5q n GLN 61 Ca -0.04 0.77 -0.37 0.00 -1.94 0.00 0.00 57.00 55.42 2r5q n GLN 61 Cb 0.59 -5.59 -0.07 0.00 0.11 0.00 0.00 30.24 25.29 2r5q n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2r5q s ILE 62 N -3.27 5.33 -0.13 5.09 -1.09 0.63 -4.80 121.20 122.95 2r5q s ILE 62 Ca 0.51 0.44 -0.07 0.00 -2.23 0.00 0.00 60.65 59.30 2r5q s ILE 62 Cb -0.23 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.07 2r5q s ILE 62 CO 0.63 0.53 0.13 -0.63 -1.23 0.00 0.00 174.94 174.37 2r5q s ILE 63 N -0.47 5.45 0.11 2.92 1.01 -1.26 -1.03 121.20 127.93 2r5q s ILE 63 Ca 0.17 0.19 0.04 0.00 0.00 0.00 0.00 60.65 61.04 2r5q s ILE 63 Cb -0.13 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 2r5q s ILE 63 CO 0.05 0.60 -0.10 0.27 0.00 0.00 0.00 174.94 175.76 2r5q s ILE 64 N -0.84 0.99 -0.03 2.92 -4.36 -0.30 -4.42 121.20 115.17 2r5q s ILE 64 Ca 0.14 -1.76 0.01 0.00 -0.26 0.00 0.00 60.65 58.79 2r5q s ILE 64 Cb -0.12 -1.50 0.01 0.00 1.25 0.00 0.00 42.46 42.11 2r5q s ILE 64 CO 0.03 -0.61 -0.05 -0.70 0.24 0.00 0.00 174.94 173.84 2r5q s GLU 65 N -3.07 0.77 -0.14 0.37 2.12 -0.31 -2.23 118.70 116.21 2r5q s GLU 65 Ca 0.09 -0.16 -0.04 0.00 0.36 0.00 0.00 54.97 55.22 2r5q s GLU 65 Cb -0.01 -0.76 0.06 0.00 0.26 0.00 0.00 34.13 33.68 2r5q s GLU 65 CO -0.00 -0.01 0.15 0.42 -0.54 0.00 0.00 175.26 175.28 2r5q s ILE 66 N 0.58 -0.22 -1.24 -3.70 1.01 -0.58 -0.41 121.20 116.63 2r5q s ILE 66 Ca -0.08 0.09 -0.02 0.00 0.00 0.00 0.00 60.65 60.64 2r5q s ILE 66 Cb -0.11 -0.47 0.00 0.00 0.01 0.00 0.00 42.46 41.89 2r5q s ILE 66 CO 0.00 -0.07 1.02 0.00 0.00 0.00 0.00 174.94 175.90 2r5q n GLY 68 N -1.33 2.77 3.89 0.00 0.00 -1.26 -4.97 105.19 104.29 2r5q n GLY 68 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 3.52 0.20 1.61 1.02 -1.06 -5.11 119.74 119.93 2r5q s LYS 69 Ca 0.00 -0.15 0.10 0.00 0.02 0.00 0.00 55.97 55.94 2r5q s LYS 69 Cb 0.00 -3.10 -0.04 0.00 -0.52 0.00 0.00 37.83 34.17 2r5q s LYS 69 CO 0.00 0.67 -0.15 0.15 -0.92 0.00 0.00 175.35 175.11 2r5q s LYS 70 N -1.71 1.86 0.03 1.68 1.02 -1.26 -1.53 119.74 119.82 2r5q s LYS 70 Ca 0.26 -1.42 -0.17 0.00 0.02 0.00 0.00 55.97 54.66 2r5q s LYS 70 Cb -0.13 -2.01 0.03 0.00 -0.52 0.00 0.00 37.83 35.20 2r5q s LYS 70 CO 0.15 0.40 0.37 0.00 -0.92 0.00 0.00 175.35 175.36 2r5q s ALA 71 N -1.84 -0.90 0.02 5.17 0.00 -0.95 -4.73 121.76 118.53 2r5q s ALA 71 Ca 0.25 0.27 0.04 0.00 0.00 0.00 0.00 51.96 52.51 2r5q s ALA 71 Cb -0.08 0.27 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 2r5q s ALA 71 CO 0.14 -0.40 -0.12 -1.50 0.00 0.00 0.00 175.76 173.88 2r5q s ILE 72 N -2.23 0.90 -2.12 0.00 2.07 -1.26 -1.14 121.20 117.42 2r5q s ILE 72 Ca -0.07 -0.77 0.00 0.00 -1.41 0.00 0.00 60.65 58.40 2r5q s ILE 72 Cb -0.02 -0.81 0.00 0.00 0.13 0.00 0.00 42.46 41.76 2r5q s ILE 72 CO -0.01 0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.68 2r5q n GLY 73 N 2.24 -0.59 3.78 1.50 0.00 -0.19 -4.92 105.19 107.01 2r5q n GLY 73 Ca -0.17 -0.69 -0.39 0.00 0.00 0.00 0.00 46.02 44.77 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 -3.37 4.74 -0.07 2.61 2.01 -1.26 -0.27 115.64 120.02 2r5q s THR 74 Ca 0.00 1.38 0.02 0.00 0.31 0.00 0.00 61.69 63.41 2r5q s THR 74 Cb 0.00 -3.99 0.01 0.00 0.01 0.00 0.00 72.50 68.53 2r5q s THR 74 CO 0.00 0.47 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.57 2r5q s VAL 75 N -0.60 1.21 -0.16 3.82 1.01 -0.15 -4.52 120.40 121.02 2r5q s VAL 75 Ca 0.33 -0.53 -0.08 0.00 0.00 0.00 0.00 61.98 61.70 2r5q s VAL 75 Cb -0.20 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2r5q s VAL 75 CO 0.20 0.37 0.12 -0.76 0.00 0.00 0.00 175.10 175.03 2r5q s LEU 76 N 0.60 4.20 -0.14 3.92 1.43 0.30 -1.41 118.68 127.58 2r5q s LEU 76 Ca -0.14 0.30 -0.00 0.00 -1.03 0.00 0.00 54.13 53.26 2r5q s LEU 76 Cb -0.16 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 2r5q s LEU 76 CO 0.04 0.28 -0.13 -0.69 0.23 0.00 0.00 176.35 176.08 2r5q s VAL 77 N -0.26 2.96 -0.05 -1.59 1.01 0.03 -0.02 120.40 122.48 2r5q s VAL 77 Ca 0.10 -0.68 -0.20 0.00 0.00 0.00 0.00 61.98 61.21 2r5q s VAL 77 Cb -0.12 -2.25 0.06 0.00 0.00 0.00 0.00 36.38 34.08 2r5q s VAL 77 CO 0.01 0.51 0.88 0.61 0.00 0.00 0.00 175.10 177.11 2r5q n GLY 78 N 3.79 0.23 3.34 4.51 0.00 -0.77 -0.26 105.19 116.03 2r5q n GLY 78 Ca -0.18 -0.95 -0.37 0.00 0.00 0.00 0.00 46.02 44.51 2r5q n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2r5q n PRO 79 N -0.64 2.10 -4.40 1.61 -0.04 -1.26 -3.85 135.00 128.53 2r5q n PRO 79 Ca 0.04 -2.50 -0.35 0.00 -0.04 0.00 0.00 63.50 60.65 2r5q n PRO 79 Cb 0.38 -3.40 -0.10 0.00 -0.04 0.00 0.00 33.50 30.34 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 6.84 4.21 0.17 0.52 -1.32 -1.26 -5.01 115.64 119.80 2r5q s THR 80 Ca 0.59 -0.28 0.33 0.00 -1.21 0.00 0.00 61.69 61.13 2r5q s THR 80 Cb 0.06 -2.77 0.38 0.00 -1.51 0.00 0.00 72.50 68.66 2r5q s THR 80 CO 0.09 0.59 2.01 1.55 -2.21 0.00 0.00 174.62 176.65 2r5q h PRO 81 N 5.32 0.00 -3.42 7.08 0.13 -1.99 -3.44 132.00 135.69 2r5q h PRO 81 Ca -0.49 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.49 2r5q h PRO 81 Cb 1.19 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.10 2r5q h PRO 81 CO 0.55 0.03 -0.47 0.08 -0.23 0.00 0.00 178.00 177.96 2r5q s VAL 82 N -3.73 0.07 0.01 1.56 1.01 -1.26 -5.12 120.40 112.93 2r5q s VAL 82 Ca 0.00 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 2r5q s VAL 82 Cb 0.10 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 2r5q s VAL 82 CO 0.54 -0.30 0.99 0.20 0.00 0.00 0.00 175.10 176.54 2r5q s ASN 83 N -1.10 7.36 -0.16 3.32 0.01 -1.26 -4.82 114.94 118.28 2r5q s ASN 83 Ca -0.12 1.68 0.00 0.00 -0.71 0.00 0.00 52.86 53.72 2r5q s ASN 83 Cb -0.06 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.03 2r5q s ASN 83 CO 0.02 -0.26 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.56 2r5q s ILE 84 N 0.97 2.57 -0.48 0.60 -1.09 0.11 -0.47 121.20 123.41 2r5q s ILE 84 Ca 0.52 -0.79 -0.17 0.00 -2.23 0.00 0.00 60.65 57.98 2r5q s ILE 84 Cb -0.22 -2.09 0.06 0.00 -1.58 0.00 0.00 42.46 38.64 2r5q s ILE 84 CO 0.28 0.51 0.46 -0.63 -1.23 0.00 0.00 174.94 174.34 2r5q s ILE 85 N 0.97 5.12 0.59 2.92 -1.09 -0.57 -0.66 121.20 128.48 2r5q s ILE 85 Ca -0.02 -0.83 -0.07 0.00 -2.23 0.00 0.00 60.65 57.50 2r5q s ILE 85 Cb -0.15 -4.16 0.13 0.00 -1.58 0.00 0.00 42.46 36.70 2r5q s ILE 85 CO -0.03 -0.63 0.80 0.61 -1.23 0.00 0.00 174.94 174.47 2r5q n GLY 86 N 5.19 -0.66 0.26 6.18 0.00 -1.05 -1.95 105.19 113.16 2r5q n GLY 86 Ca -0.10 -1.80 0.13 0.00 0.00 0.00 0.00 46.02 44.25 2r5q n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2r5q h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -0.91 0.66 114.38 118.82 2r5q h ARG 87 Ca -0.26 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.75 2r5q h ARG 87 Cb 0.79 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 2r5q h ARG 87 CO 0.21 0.11 -0.17 -2.95 -1.07 0.00 0.00 179.97 176.11 2r5q h ASN 88 N 0.00 0.00 0.02 7.04 -1.07 -1.80 -2.58 115.58 117.19 2r5q h ASN 88 Ca -0.00 0.00 -0.38 0.00 0.07 0.00 0.00 56.30 55.98 2r5q h ASN 88 Cb 0.35 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.54 2r5q h ASN 88 CO 0.01 0.17 -2.20 0.23 0.07 0.00 0.00 177.43 175.71 2r5q n MET 89 N -3.99 0.63 -0.34 4.14 2.81 -0.84 -4.40 117.12 115.13 2r5q n MET 89 Ca -0.02 0.29 0.16 0.00 -1.81 0.00 0.00 57.70 56.31 2r5q n MET 89 Cb 0.25 -1.58 0.36 0.00 -0.71 0.00 0.00 33.22 31.54 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 -0.53 0.68 -0.39 4.03 3.38 -0.86 -0.59 115.31 121.03 2r5q h LEU 90 Ca -0.56 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2r5q h LEU 90 Cb 1.71 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.46 2r5q h LEU 90 CO -0.20 0.15 0.25 0.71 0.09 0.00 0.00 178.44 179.43 2r5q h THR 91 N 0.63 1.11 -0.05 0.22 1.35 -1.69 -1.77 112.91 112.71 2r5q h THR 91 Ca 0.62 -0.24 0.01 0.00 -0.55 0.00 0.00 66.41 66.25 2r5q h THR 91 Cb 1.10 0.57 -0.00 0.00 -1.73 0.00 0.00 68.15 68.09 2r5q h THR 91 CO -0.45 0.11 0.04 1.56 -0.25 0.00 0.00 175.52 176.54 2r5q h GLN 92 N 0.52 0.00 -0.01 4.72 1.08 -1.32 0.62 115.11 120.72 2r5q h GLN 92 Ca 0.14 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 2r5q h GLN 92 Cb -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 2r5q h GLN 92 CO -0.03 0.00 -0.07 1.28 -0.95 0.00 0.00 178.83 179.06 2r5q n LEU 93 N -4.22 0.97 -1.01 1.46 4.77 -0.91 -4.86 117.00 113.19 2r5q n LEU 93 Ca -0.02 -0.27 -0.10 0.00 -0.03 0.00 0.00 56.01 55.59 2r5q n LEU 93 Cb 0.14 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 2r5q n LEU 93 CO 0.31 0.17 -0.12 0.61 -1.33 0.00 0.00 177.39 177.03 2r5q n GLY 94 N 1.20 0.24 3.69 -0.72 0.00 0.21 -4.98 105.19 104.84 2r5q n GLY 94 Ca 0.18 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 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 1.65 1.29 -0.15 0.00 -4.23 -1.26 -4.65 115.64 108.28 2r5q s THR 96 Ca 0.48 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.97 2r5q s THR 96 Cb -0.19 -2.71 -0.02 0.00 1.34 0.00 0.00 72.50 70.93 2r5q s THR 96 CO 0.20 0.00 -0.10 -0.22 -0.54 0.00 0.00 174.62 173.97 2r5q s LEU 97 N -3.60 2.84 0.07 4.79 2.96 -1.26 -5.09 118.68 119.39 2r5q s LEU 97 Ca 0.31 -0.30 0.06 0.00 -0.22 0.00 0.00 54.13 53.98 2r5q s LEU 97 Cb 0.07 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 2r5q s LEU 97 CO 0.15 0.13 -0.17 0.20 -1.32 0.00 0.00 176.35 175.34 2r5q s ASN 98 N 0.56 2.02 0.00 3.68 -0.87 -1.26 -5.29 114.94 113.79 2r5q s ASN 98 Ca -0.06 -0.57 0.00 0.00 -1.57 0.00 0.00 52.86 50.65 2r5q s ASN 98 Cb -0.15 -0.11 0.00 0.00 -0.02 0.00 0.00 41.25 40.96 2r5q s ASN 98 CO 0.03 0.03 0.00 2.22 -2.57 0.00 0.00 177.10 176.81