#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 3.49 -0.11 0.54 0.74 -1.26 -5.10 119.66 117.96 2r5q s GLN 2 Ca 0.00 -0.61 0.01 0.00 0.05 0.00 0.00 55.36 54.82 2r5q s GLN 2 Cb 0.00 -2.84 -0.01 0.00 1.10 0.00 0.00 33.01 31.26 2r5q s GLN 2 CO 0.00 0.11 -0.17 0.42 -0.55 0.00 0.00 175.29 175.11 2r5q s ILE 3 N 0.67 2.75 0.50 -2.34 1.01 -1.26 -5.12 121.20 117.40 2r5q s ILE 3 Ca -0.04 -0.78 -0.03 0.00 0.00 0.00 0.00 60.65 59.80 2r5q s ILE 3 Cb -0.15 -2.12 -0.01 0.00 0.01 0.00 0.00 42.46 40.19 2r5q s ILE 3 CO 0.02 0.54 0.77 0.42 0.00 0.00 0.00 174.94 176.69 2r5q s THR 4 N 0.27 4.13 -0.37 2.92 -4.23 -1.26 -5.03 115.64 112.07 2r5q s THR 4 Ca -0.12 -0.18 0.14 0.00 -1.18 0.00 0.00 61.69 60.36 2r5q s THR 4 Cb -0.16 -3.57 0.39 0.00 1.34 0.00 0.00 72.50 70.50 2r5q s THR 4 CO 0.06 -0.50 1.31 0.18 -0.54 0.00 0.00 174.62 175.13 2r5q n LEU 5 N -2.28 3.27 -0.31 4.79 4.77 -1.26 -4.55 117.00 121.43 2r5q n LEU 5 Ca 0.02 -2.65 0.09 0.00 -0.03 0.00 0.00 56.01 53.43 2r5q n LEU 5 Cb 0.57 -0.40 0.30 0.00 -2.33 0.00 0.00 43.42 41.56 2r5q n LEU 5 CO 0.51 0.68 1.23 -0.50 -1.33 0.00 0.00 177.39 177.98 2r5q h TRP 6 N 1.49 0.99 -2.51 -1.77 4.06 -2.07 -3.42 115.95 112.73 2r5q h TRP 6 Ca 0.00 0.03 -0.52 0.00 2.06 0.00 0.00 58.89 60.46 2r5q h TRP 6 Cb 1.11 -0.32 -0.14 0.00 -1.00 0.00 0.00 29.16 28.82 2r5q h TRP 6 CO 0.32 0.40 -0.64 -1.59 -3.56 0.00 0.00 178.44 173.37 2r5q s LYS 7 N -5.83 1.66 0.16 0.49 -2.85 -1.26 -5.10 119.74 107.01 2r5q s LYS 7 Ca -0.11 -1.88 -0.34 0.00 -1.00 0.00 0.00 55.97 52.64 2r5q s LYS 7 Cb 0.22 -1.18 -0.15 0.00 -2.06 0.00 0.00 37.83 34.66 2r5q s LYS 7 CO 0.80 -0.04 1.33 0.54 0.10 0.00 0.00 175.35 178.08 2r5q n ARG 8 N -0.69 1.52 -1.58 1.78 1.74 -1.26 -4.84 116.66 113.34 2r5q n ARG 8 Ca -0.04 0.55 -0.41 0.00 -0.77 0.00 0.00 57.85 57.17 2r5q n ARG 8 Cb 0.65 -2.16 -0.01 0.00 -1.02 0.00 0.00 32.46 29.92 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 2.28 3.27 -2.81 5.56 -0.04 -1.26 -4.95 135.00 137.04 2r5q n PRO 9 Ca 0.15 -2.48 -0.39 0.00 -0.04 0.00 0.00 63.50 60.74 2r5q n PRO 9 Cb 0.25 -3.06 -0.06 0.00 -0.04 0.00 0.00 33.50 30.59 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 1.20 4.56 0.18 1.53 1.43 -1.26 -1.99 118.68 124.33 2r5q s LEU 10 Ca 0.56 1.85 -0.03 0.00 -1.03 0.00 0.00 54.13 55.49 2r5q s LEU 10 Cb 0.16 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.70 2r5q s LEU 10 CO -0.07 0.11 0.15 0.68 0.23 0.00 0.00 176.35 177.45 2r5q s VAL 11 N -1.28 0.04 -0.08 -1.59 -7.23 0.53 -4.95 120.40 105.84 2r5q s VAL 11 Ca 0.42 -1.87 -0.18 0.00 -1.81 0.00 0.00 61.98 58.54 2r5q s VAL 11 Cb -0.23 -2.28 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 2r5q s VAL 11 CO 0.29 -0.17 0.48 -0.44 -0.31 0.00 0.00 175.10 174.95 2r5q s SER 12 N -3.10 6.75 0.13 4.85 0.01 -1.26 -1.08 113.70 120.00 2r5q s SER 12 Ca 0.31 0.89 0.08 0.00 1.31 0.00 0.00 55.95 58.54 2r5q s SER 12 Cb 0.06 -2.29 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 2r5q s SER 12 CO 0.08 0.08 -0.18 0.27 0.41 0.00 0.00 173.24 173.90 2r5q s ILE 13 N 0.17 1.65 -0.34 1.44 -4.36 0.38 -4.42 121.20 115.72 2r5q s ILE 13 Ca 0.26 -1.71 -0.05 0.00 -0.26 0.00 0.00 60.65 58.89 2r5q s ILE 13 Cb -0.16 -1.64 0.05 0.00 1.25 0.00 0.00 42.46 41.97 2r5q s ILE 13 CO 0.12 -0.24 0.10 -0.75 0.24 0.00 0.00 174.94 174.41 2r5q s LYS 14 N -2.40 2.49 0.01 0.37 2.20 0.30 -0.94 119.74 121.77 2r5q s LYS 14 Ca 0.10 -1.30 0.00 0.00 -0.36 0.00 0.00 55.97 54.41 2r5q s LYS 14 Cb -0.07 -3.42 -0.01 0.00 -1.51 0.00 0.00 37.83 32.82 2r5q s LYS 14 CO 0.05 -0.72 -0.02 0.54 -0.36 0.00 0.00 175.35 174.84 2r5q s VAL 15 N 1.33 0.10 -1.44 4.02 0.11 0.19 -1.26 120.40 123.43 2r5q s VAL 15 Ca -0.01 -0.31 -0.08 0.00 -2.93 0.00 0.00 61.98 58.65 2r5q s VAL 15 Cb -0.20 -0.14 0.04 0.00 -1.53 0.00 0.00 36.38 34.55 2r5q s VAL 15 CO 0.01 -0.14 0.65 0.61 -3.33 0.00 0.00 175.10 172.91 2r5q n GLY 16 N 2.60 -0.51 3.01 6.54 0.00 -1.26 0.06 105.19 115.63 2r5q n GLY 16 Ca -0.16 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.45 0.26 3.52 -0.02 0.00 -1.26 -4.95 105.19 101.29 2r5q n GLY 17 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.01 2.04 -0.29 1.61 -0.21 0.11 -5.12 119.66 116.80 2r5q s GLN 18 Ca 0.00 -1.04 -0.10 0.00 0.02 0.00 0.00 55.36 54.24 2r5q s GLN 18 Cb 0.00 -2.24 -0.03 0.00 1.00 0.00 0.00 33.01 31.75 2r5q s GLN 18 CO 0.00 0.51 0.16 0.42 -2.12 0.00 0.00 175.29 174.26 2r5q s ILE 19 N -1.11 4.86 0.31 1.08 1.01 -1.26 0.53 121.20 126.62 2r5q s ILE 19 Ca 0.18 -0.14 0.04 0.00 0.00 0.00 0.00 60.65 60.74 2r5q s ILE 19 Cb -0.11 -3.38 -0.06 0.00 0.01 0.00 0.00 42.46 38.92 2r5q s ILE 19 CO 0.10 0.18 0.04 -0.54 0.00 0.00 0.00 174.94 174.72 2r5q s LYS 20 N 1.68 1.62 -0.14 2.79 1.02 -0.11 -4.95 119.74 121.65 2r5q s LYS 20 Ca 0.06 -1.89 -0.06 0.00 0.02 0.00 0.00 55.97 54.10 2r5q s LYS 20 Cb -0.16 -0.89 -0.04 0.00 -0.52 0.00 0.00 37.83 36.21 2r5q s LYS 20 CO 0.08 -0.15 0.08 -2.00 -0.92 0.00 0.00 175.35 172.44 2r5q s GLU 21 N -3.87 3.59 0.14 1.68 2.12 -1.26 -0.47 118.70 120.63 2r5q s GLU 21 Ca 0.35 -0.27 -0.06 0.00 0.36 0.00 0.00 54.97 55.35 2r5q s GLU 21 Cb 0.08 -3.13 -0.02 0.00 0.26 0.00 0.00 34.13 31.32 2r5q s GLU 21 CO 0.15 0.55 0.18 0.00 -0.54 0.00 0.00 175.26 175.59 2r5q s ALA 22 N -0.40 0.30 -0.18 6.30 0.00 -0.24 -4.42 121.76 123.12 2r5q s ALA 22 Ca 0.10 -1.07 -0.05 0.00 0.00 0.00 0.00 51.96 50.94 2r5q s ALA 22 Cb -0.12 0.78 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 2r5q s ALA 22 CO 0.02 -0.56 -0.01 -1.17 0.00 0.00 0.00 175.76 174.03 2r5q s LEU 23 N -2.98 3.28 -0.39 0.00 2.96 0.56 -0.34 118.68 121.77 2r5q s LEU 23 Ca 0.17 -0.16 -0.29 0.00 -0.22 0.00 0.00 54.13 53.64 2r5q s LEU 23 Cb 0.05 -1.81 0.01 0.00 0.50 0.00 0.00 46.19 44.94 2r5q s LEU 23 CO -0.01 0.11 1.40 -0.76 -1.32 0.00 0.00 176.35 175.77 2r5q s LEU 24 N 0.72 3.63 -0.31 -0.68 1.43 -0.84 -1.56 118.68 121.07 2r5q s LEU 24 Ca -0.01 0.90 0.02 0.00 -1.03 0.00 0.00 54.13 54.01 2r5q s LEU 24 Cb -0.14 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 42.62 2r5q s LEU 24 CO 0.02 -1.39 0.00 -0.62 0.23 0.00 0.00 176.35 174.60 2r5q s ASP 25 N 3.81 4.73 0.52 2.29 -1.08 -0.87 -4.80 116.67 121.26 2r5q s ASP 25 Ca 0.61 -1.71 0.32 0.00 -0.52 0.00 0.00 52.55 51.25 2r5q s ASP 25 Cb -0.14 -1.64 1.21 0.00 -1.46 0.00 0.00 42.92 40.89 2r5q s ASP 25 CO 0.31 -0.31 1.92 0.71 0.52 0.00 0.00 175.17 178.33 2r5q h THR 26 N 6.61 0.00 0.00 1.71 1.35 -1.93 -2.93 112.91 117.72 2r5q h THR 26 Ca -0.14 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 2r5q h THR 26 Cb 1.04 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 2r5q h THR 26 CO 0.52 0.00 -0.29 0.61 -0.25 0.00 0.00 175.52 176.11 2r5q n GLY 27 N 0.18 -1.40 3.66 5.82 0.00 -1.26 -4.84 105.19 107.35 2r5q n GLY 27 Ca 0.01 -0.22 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.03 3.56 0.26 4.61 0.00 -1.11 -4.95 121.76 121.10 2r5q s ALA 28 Ca 0.11 -0.53 0.05 0.00 0.00 0.00 0.00 51.96 51.59 2r5q s ALA 28 Cb 0.17 -2.72 0.34 0.00 0.00 0.00 0.00 23.12 20.91 2r5q s ALA 28 CO 0.63 -0.43 1.63 -0.44 0.00 0.00 0.00 175.76 177.15 2r5q h ASP 29 N 7.55 0.31 -1.62 0.00 3.32 -1.88 0.10 116.42 124.20 2r5q h ASP 29 Ca -0.34 -0.15 -0.62 0.00 0.02 0.00 0.00 57.03 55.94 2r5q h ASP 29 Cb 1.16 -0.09 -0.12 0.00 0.22 0.00 0.00 39.33 40.50 2r5q h ASP 29 CO 0.71 0.75 -0.58 -1.81 -1.72 0.00 0.00 179.24 176.59 2r5q s ASP 30 N -6.88 3.97 -0.17 6.45 1.01 -1.26 -3.14 116.67 116.64 2r5q s ASP 30 Ca -0.05 -1.33 -0.03 0.00 0.71 0.00 0.00 52.55 51.85 2r5q s ASP 30 Cb 0.13 -0.39 -0.02 0.00 1.01 0.00 0.00 42.92 43.65 2r5q s ASP 30 CO 0.79 -0.48 -0.07 -0.89 0.21 0.00 0.00 175.17 174.74 2r5q s THR 31 N -2.70 3.48 -0.04 -1.27 2.01 -1.26 -2.59 115.64 113.28 2r5q s THR 31 Ca 0.35 -0.49 0.00 0.00 0.31 0.00 0.00 61.69 61.87 2r5q s THR 31 Cb 0.09 -2.53 0.03 0.00 0.01 0.00 0.00 72.50 70.10 2r5q s THR 31 CO 0.18 0.48 -0.01 0.54 -0.69 0.00 0.00 174.62 175.13 2r5q s VAL 32 N 0.72 0.26 0.06 3.82 0.11 0.15 -0.63 120.40 124.88 2r5q s VAL 32 Ca -0.03 0.06 0.07 0.00 -2.93 0.00 0.00 61.98 59.16 2r5q s VAL 32 Cb -0.15 -0.35 -0.03 0.00 -1.53 0.00 0.00 36.38 34.31 2r5q s VAL 32 CO 0.02 0.18 -0.17 -0.63 -3.33 0.00 0.00 175.10 171.16 2r5q s ILE 33 N 1.16 2.87 1.11 7.04 -1.09 0.95 -0.85 121.20 132.40 2r5q s ILE 33 Ca -0.08 -1.25 -0.15 0.00 -2.23 0.00 0.00 60.65 56.95 2r5q s ILE 33 Cb -0.13 -2.24 0.18 0.00 -1.58 0.00 0.00 42.46 38.68 2r5q s ILE 33 CO -0.02 0.27 0.55 -1.84 -1.23 0.00 0.00 174.94 172.67 2r5q n GLU 34 N 1.32 -1.74 -1.51 2.79 0.28 -1.26 -1.81 120.64 118.72 2r5q n GLU 34 Ca -0.16 -0.48 -0.59 0.00 -0.16 0.00 0.00 57.16 55.78 2r5q n GLU 34 Cb 0.52 -1.96 -0.08 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 -3.39 0.00 -3.58 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 -1.41 -0.07 0.00 -0.57 0.00 0.00 31.44 29.97 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 1.21 0.00 -0.17 -3.67 2.07 -1.26 -5.05 121.20 114.32 2r5q s ILE 36 Ca 0.91 -0.02 -0.29 0.00 -1.41 0.00 0.00 60.65 59.84 2r5q s ILE 36 Cb -1.28 -0.97 -0.00 0.00 0.13 0.00 0.00 42.46 40.34 2r5q s ILE 36 CO 0.63 -0.01 1.04 0.00 -1.91 0.00 0.00 174.94 174.70 2r5q s ALA 37 N -0.47 3.57 0.03 1.50 0.00 -1.26 -5.03 121.76 120.09 2r5q s ALA 37 Ca -0.06 0.28 0.04 0.00 0.00 0.00 0.00 51.96 52.22 2r5q s ALA 37 Cb -0.02 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 2r5q s ALA 37 CO 0.06 -0.86 -0.12 -0.51 0.00 0.00 0.00 175.76 174.32 2r5q s LEU 38 N 2.70 2.15 0.50 0.00 1.43 -1.26 -4.83 118.68 119.37 2r5q s LEU 38 Ca 0.47 -0.41 -0.18 0.00 -1.03 0.00 0.00 54.13 52.97 2r5q s LEU 38 Cb -0.17 -0.52 -0.08 0.00 0.03 0.00 0.00 46.19 45.45 2r5q s LEU 38 CO 0.12 0.02 1.00 -2.16 0.23 0.00 0.00 176.35 175.56 2r5q s PRO 39 N -1.02 3.85 0.00 1.29 0.04 -1.26 -4.94 135.00 132.96 2r5q s PRO 39 Ca 0.00 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.19 2r5q s PRO 39 Cb -0.07 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2r5q s PRO 39 CO 0.01 -0.36 0.00 0.41 0.04 0.00 0.00 177.00 177.10 2r5q n GLY 40 N -0.89 0.33 3.94 0.56 0.00 -1.26 -4.91 105.19 102.96 2r5q n GLY 40 Ca 0.08 -2.02 -0.25 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.21 3.50 0.27 1.61 0.52 -1.26 -5.10 118.95 117.28 2r5q s ARG 41 Ca 0.00 -0.39 0.04 0.00 -0.52 0.00 0.00 55.73 54.87 2r5q s ARG 41 Cb 0.00 -2.76 -0.06 0.00 0.52 0.00 0.00 34.95 32.65 2r5q s ARG 41 CO 0.00 0.29 -0.00 1.67 0.02 0.00 0.00 175.30 177.28 2r5q s TRP 42 N -2.09 1.76 0.00 -0.53 1.48 -1.26 -4.60 118.94 113.69 2r5q s TRP 42 Ca 0.39 -0.88 0.04 0.00 -1.06 0.00 0.00 56.10 54.59 2r5q s TRP 42 Cb -0.10 -1.05 -0.01 0.00 -1.16 0.00 0.00 33.47 31.15 2r5q s TRP 42 CO 0.32 0.05 -0.14 -1.59 -4.06 0.00 0.00 176.95 171.53 2r5q s LYS 43 N -3.84 1.05 0.41 3.25 -2.85 -1.02 -4.89 119.74 111.85 2r5q s LYS 43 Ca 0.31 -0.54 -0.25 0.00 -1.00 0.00 0.00 55.97 54.48 2r5q s LYS 43 Cb 0.06 -1.03 -0.08 0.00 -2.06 0.00 0.00 37.83 34.72 2r5q s LYS 43 CO 0.11 0.28 1.21 -1.25 0.10 0.00 0.00 175.35 175.79 2r5q s PRO 44 N -0.50 3.99 -0.03 1.78 0.04 -1.26 -0.21 135.00 138.81 2r5q s PRO 44 Ca 0.04 1.92 -0.12 0.00 0.04 0.00 0.00 61.00 62.89 2r5q s PRO 44 Cb -0.06 -2.67 0.02 0.00 0.04 0.00 0.00 34.50 31.83 2r5q s PRO 44 CO -0.00 -0.40 0.26 0.21 0.04 0.00 0.00 177.00 177.11 2r5q s LYS 45 N -2.32 0.53 -0.19 4.56 2.20 -0.09 -4.86 119.74 119.58 2r5q s LYS 45 Ca 0.58 -0.10 -0.04 0.00 -0.36 0.00 0.00 55.97 56.05 2r5q s LYS 45 Cb -0.33 0.24 -0.02 0.00 -1.51 0.00 0.00 37.83 36.21 2r5q s LYS 45 CO 0.41 -0.13 -0.03 -1.64 -0.36 0.00 0.00 175.35 173.60 2r5q s MET 46 N -0.97 3.57 -0.02 4.03 -1.94 -1.26 -0.34 119.30 122.37 2r5q s MET 46 Ca -0.10 -0.55 0.08 0.00 -1.71 0.00 0.00 55.69 53.40 2r5q s MET 46 Cb -0.05 -2.99 -0.02 0.00 2.01 0.00 0.00 34.83 33.78 2r5q s MET 46 CO 0.03 0.04 -0.24 0.96 -0.01 0.00 0.00 175.02 175.79 2r5q s ILE 47 N 0.89 1.92 0.31 2.53 -4.36 -0.92 -4.97 121.20 116.61 2r5q s ILE 47 Ca -0.00 -1.05 0.09 0.00 -0.26 0.00 0.00 60.65 59.42 2r5q s ILE 47 Cb -0.14 -1.60 -0.06 0.00 1.25 0.00 0.00 42.46 41.91 2r5q s ILE 47 CO 0.02 0.53 -0.09 -0.83 0.24 0.00 0.00 174.94 174.80 2r5q s GLY 48 N -0.60 2.02 0.00 6.27 0.00 -1.26 -1.33 107.32 112.41 2r5q s GLY 48 Ca 0.09 -1.99 0.00 0.00 0.00 0.00 0.00 44.72 42.82 2r5q s GLY 48 CO -0.01 -1.95 0.00 0.61 0.00 0.00 0.00 173.10 171.75 2r5q n GLY 49 N -0.69 1.56 3.70 0.20 0.00 -0.82 -4.98 105.19 104.16 2r5q n GLY 49 Ca -0.05 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.61 2.97 0.00 -0.61 -1.09 -1.26 -2.00 121.20 117.61 2r5q s ILE 50 Ca 0.00 0.51 0.00 0.00 -2.23 0.00 0.00 60.65 58.93 2r5q s ILE 50 Cb 0.00 -3.32 0.00 0.00 -1.58 0.00 0.00 42.46 37.56 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 3.92 2.78 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 -1.67 0.49 3.84 -0.02 0.00 -0.85 -5.08 105.19 101.90 2r5q n GLY 52 Ca 0.00 -2.22 -0.28 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 -0.48 3.28 0.18 1.61 0.40 -1.26 -1.94 117.98 119.77 2r5q s PHE 53 Ca 0.00 0.07 0.05 0.00 -0.60 0.00 0.00 56.93 56.45 2r5q s PHE 53 Cb 0.00 -1.61 -0.05 0.00 0.51 0.00 0.00 43.02 41.88 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 -1.62 1.27 -0.12 0.64 -4.36 -0.44 -4.98 121.20 111.59 2r5q s ILE 54 Ca 0.32 -2.09 -0.08 0.00 -0.26 0.00 0.00 60.65 58.54 2r5q s ILE 54 Cb -0.11 -2.01 -0.04 0.00 1.25 0.00 0.00 42.46 41.54 2r5q s ILE 54 CO 0.25 -0.61 0.17 -0.75 0.24 0.00 0.00 174.94 174.24 2r5q s LYS 55 N -3.75 3.61 0.10 0.37 2.20 -1.26 -2.15 119.74 118.85 2r5q s LYS 55 Ca 0.21 -0.07 -0.01 0.00 -0.36 0.00 0.00 55.97 55.74 2r5q s LYS 55 Cb 0.03 -3.23 -0.04 0.00 -1.51 0.00 0.00 37.83 33.08 2r5q s LYS 55 CO 0.04 0.70 0.03 0.14 -0.36 0.00 0.00 175.35 175.89 2r5q s VAL 56 N -0.82 0.14 -0.20 4.02 -7.23 0.54 -4.39 120.40 112.46 2r5q s VAL 56 Ca 0.15 -1.87 -0.09 0.00 -1.81 0.00 0.00 61.98 58.36 2r5q s VAL 56 Cb -0.12 -1.85 -0.05 0.00 0.56 0.00 0.00 36.38 34.92 2r5q s VAL 56 CO 0.04 -0.66 0.11 -0.13 -0.31 0.00 0.00 175.10 174.15 2r5q s ARG 57 N -4.00 4.07 -0.38 4.82 0.52 0.86 -0.91 118.95 123.93 2r5q s ARG 57 Ca 0.18 -0.28 -0.17 0.00 -0.52 0.00 0.00 55.73 54.94 2r5q s ARG 57 Cb 0.08 -3.36 0.00 0.00 0.52 0.00 0.00 34.95 32.19 2r5q s ARG 57 CO -0.03 0.23 0.43 -1.14 0.02 0.00 0.00 175.30 174.82 2r5q s GLN 58 N 0.53 3.37 -0.11 3.54 0.74 0.70 -0.87 119.66 127.56 2r5q s GLN 58 Ca 0.06 -0.51 -0.02 0.00 0.05 0.00 0.00 55.36 54.93 2r5q s GLN 58 Cb -0.12 -3.88 -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 0.00 175.29 174.74 2r5q s TYR 59 N 2.16 3.12 0.30 1.67 1.51 -0.46 -2.42 117.35 123.23 2r5q s TYR 59 Ca 0.13 0.07 0.07 0.00 -1.01 0.00 0.00 57.07 56.34 2r5q s TYR 59 Cb -0.16 -1.84 -0.03 0.00 -0.11 0.00 0.00 41.96 39.82 2r5q s TYR 59 CO 0.13 0.33 0.26 -0.51 -1.11 0.00 0.00 175.55 174.65 2r5q s ASP 60 N -0.53 5.39 -1.27 2.29 1.01 -1.26 -0.93 116.67 121.38 2r5q s ASP 60 Ca 0.09 -0.39 -0.08 0.00 0.71 0.00 0.00 52.55 52.87 2r5q s ASP 60 Cb -0.12 -1.15 0.01 0.00 1.01 0.00 0.00 42.92 42.67 2r5q s ASP 60 CO 0.02 -0.23 1.11 0.00 0.21 0.00 0.00 175.17 176.28 2r5q n GLN 61 N -1.30 -7.47 -3.70 8.23 1.13 -0.99 -4.93 117.38 108.35 2r5q n GLN 61 Ca -0.04 0.78 -0.37 0.00 -1.94 0.00 0.00 57.00 55.43 2r5q n GLN 61 Cb 0.59 -5.67 -0.07 0.00 0.11 0.00 0.00 30.24 25.21 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 -3.30 5.35 -0.13 5.09 -1.09 0.75 -4.80 121.20 123.07 2r5q s ILE 62 Ca 0.55 0.42 -0.08 0.00 -2.23 0.00 0.00 60.65 59.31 2r5q s ILE 62 Cb -0.24 -3.53 -0.04 0.00 -1.58 0.00 0.00 42.46 37.07 2r5q s ILE 62 CO 0.68 0.53 0.15 -0.63 -1.23 0.00 0.00 174.94 174.44 2r5q s ILE 63 N -0.47 5.49 0.11 2.92 1.01 -1.26 -1.05 121.20 127.95 2r5q s ILE 63 Ca 0.16 0.22 0.04 0.00 0.00 0.00 0.00 60.65 61.07 2r5q s ILE 63 Cb -0.13 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 2r5q s ILE 63 CO 0.05 0.60 -0.10 0.27 0.00 0.00 0.00 174.94 175.75 2r5q s ILE 64 N -0.85 1.04 -0.03 2.92 -4.36 -0.31 -4.42 121.20 115.18 2r5q s ILE 64 Ca 0.14 -1.76 0.02 0.00 -0.26 0.00 0.00 60.65 58.79 2r5q s ILE 64 Cb -0.12 -1.51 0.01 0.00 1.25 0.00 0.00 42.46 42.09 2r5q s ILE 64 CO 0.03 -0.60 -0.08 -0.70 0.24 0.00 0.00 174.94 173.84 2r5q s GLU 65 N -3.05 0.94 -0.16 0.37 2.12 -0.39 -2.10 118.70 116.43 2r5q s GLU 65 Ca 0.09 -0.24 -0.04 0.00 0.36 0.00 0.00 54.97 55.14 2r5q s GLU 65 Cb -0.01 -0.88 0.08 0.00 0.26 0.00 0.00 34.13 33.57 2r5q s GLU 65 CO 0.00 0.04 0.21 0.42 -0.54 0.00 0.00 175.26 175.40 2r5q s ILE 66 N 0.44 -0.32 -1.23 -3.70 1.01 -0.50 -0.54 121.20 116.36 2r5q s ILE 66 Ca -0.07 0.06 -0.01 0.00 0.00 0.00 0.00 60.65 60.63 2r5q s ILE 66 Cb -0.11 -0.55 0.00 0.00 0.01 0.00 0.00 42.46 41.82 2r5q s ILE 66 CO 0.01 -0.07 1.00 0.00 0.00 0.00 0.00 174.94 175.88 2r5q n GLY 68 N -1.26 2.56 3.90 0.00 0.00 -1.26 -4.98 105.19 104.15 2r5q n GLY 68 Ca -0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 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 3.44 0.20 1.61 1.02 -1.06 -5.11 119.74 119.85 2r5q s LYS 69 Ca 0.00 -0.25 0.10 0.00 0.02 0.00 0.00 55.97 55.84 2r5q s LYS 69 Cb 0.00 -3.13 -0.04 0.00 -0.52 0.00 0.00 37.83 34.13 2r5q s LYS 69 CO 0.00 0.71 -0.13 0.15 -0.92 0.00 0.00 175.35 175.17 2r5q s LYS 70 N -1.60 1.93 0.03 1.68 1.02 -1.26 -1.41 119.74 120.13 2r5q s LYS 70 Ca 0.23 -1.38 -0.16 0.00 0.02 0.00 0.00 55.97 54.68 2r5q s LYS 70 Cb -0.12 -2.06 0.03 0.00 -0.52 0.00 0.00 37.83 35.16 2r5q s LYS 70 CO 0.13 0.41 0.34 0.00 -0.92 0.00 0.00 175.35 175.32 2r5q s ALA 71 N -1.83 -0.82 0.01 5.17 0.00 -0.89 -4.72 121.76 118.68 2r5q s ALA 71 Ca 0.25 0.19 0.04 0.00 0.00 0.00 0.00 51.96 52.43 2r5q s ALA 71 Cb -0.08 0.27 -0.01 0.00 0.00 0.00 0.00 23.12 23.30 2r5q s ALA 71 CO 0.14 -0.39 -0.11 -1.50 0.00 0.00 0.00 175.76 173.90 2r5q s ILE 72 N -2.25 0.86 -1.86 0.00 2.07 -1.26 -1.17 121.20 117.60 2r5q s ILE 72 Ca -0.07 -0.69 0.00 0.00 -1.41 0.00 0.00 60.65 58.48 2r5q s ILE 72 Cb -0.02 -0.77 0.00 0.00 0.13 0.00 0.00 42.46 41.81 2r5q s ILE 72 CO -0.01 0.08 0.00 0.61 -1.91 0.00 0.00 174.94 173.71 2r5q n GLY 73 N 2.36 -0.61 3.77 1.50 0.00 -0.21 -4.91 105.19 107.09 2r5q n GLY 73 Ca -0.16 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.48 4.77 -0.06 2.61 2.01 -1.26 -0.18 115.64 120.05 2r5q s THR 74 Ca 0.00 1.36 0.03 0.00 0.31 0.00 0.00 61.69 63.39 2r5q s THR 74 Cb 0.00 -3.98 0.01 0.00 0.01 0.00 0.00 72.50 68.54 2r5q s THR 74 CO 0.00 0.45 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.55 2r5q s VAL 75 N -0.50 1.24 -0.14 3.82 1.01 -0.10 -4.51 120.40 121.22 2r5q s VAL 75 Ca 0.32 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 2r5q s VAL 75 Cb -0.19 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 2r5q s VAL 75 CO 0.20 0.37 0.08 -0.76 0.00 0.00 0.00 175.10 174.99 2r5q s LEU 76 N 0.46 3.97 -0.14 3.92 1.43 0.19 -1.35 118.68 127.17 2r5q s LEU 76 Ca -0.12 0.22 -0.00 0.00 -1.03 0.00 0.00 54.13 53.21 2r5q s LEU 76 Cb -0.14 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.09 2r5q s LEU 76 CO 0.04 0.29 -0.14 -0.69 0.23 0.00 0.00 176.35 176.08 2r5q s VAL 77 N -0.31 2.94 -0.06 -1.59 1.01 -0.05 -0.03 120.40 122.30 2r5q s VAL 77 Ca 0.09 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.18 2r5q s VAL 77 Cb -0.12 -2.24 0.06 0.00 0.00 0.00 0.00 36.38 34.09 2r5q s VAL 77 CO 0.01 0.52 0.89 0.61 0.00 0.00 0.00 175.10 177.13 2r5q n GLY 78 N 3.67 0.21 3.29 4.51 0.00 -0.75 -0.10 105.19 116.01 2r5q n GLY 78 Ca -0.18 -0.94 -0.39 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 2.21 -4.33 1.61 -0.04 -1.26 -3.82 135.00 128.72 2r5q n PRO 79 Ca 0.04 -2.53 -0.35 0.00 -0.04 0.00 0.00 63.50 60.63 2r5q n PRO 79 Cb 0.38 -3.37 -0.09 0.00 -0.04 0.00 0.00 33.50 30.37 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 6.24 4.39 0.08 0.52 -1.32 -1.26 -5.01 115.64 119.28 2r5q s THR 80 Ca 0.58 -0.21 0.33 0.00 -1.21 0.00 0.00 61.69 61.18 2r5q s THR 80 Cb 0.07 -2.86 0.38 0.00 -1.51 0.00 0.00 72.50 68.59 2r5q s THR 80 CO 0.07 0.60 1.98 1.55 -2.21 0.00 0.00 174.62 176.61 2r5q h PRO 81 N 5.28 0.00 -3.28 7.08 0.13 -1.99 -3.43 132.00 135.79 2r5q h PRO 81 Ca -0.50 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 0.56 0.00 -0.42 0.08 -0.23 0.00 0.00 178.00 177.98 2r5q s VAL 82 N -3.66 0.05 -0.01 1.56 1.01 -1.26 -5.12 120.40 112.96 2r5q s VAL 82 Ca 0.01 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 2r5q s VAL 82 Cb 0.09 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 2r5q s VAL 82 CO 0.52 -0.22 1.03 0.20 0.00 0.00 0.00 175.10 176.63 2r5q s ASN 83 N -0.84 7.29 -0.18 3.32 0.01 -1.26 -4.82 114.94 118.46 2r5q s ASN 83 Ca -0.09 1.69 -0.01 0.00 -0.71 0.00 0.00 52.86 53.74 2r5q s ASN 83 Cb -0.05 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.05 2r5q s ASN 83 CO 0.02 -0.34 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.51 2r5q s ILE 84 N 1.25 2.69 -0.50 0.60 -1.09 -0.03 -0.32 121.20 123.81 2r5q s ILE 84 Ca 0.52 -0.74 -0.18 0.00 -2.23 0.00 0.00 60.65 58.02 2r5q s ILE 84 Cb -0.22 -2.17 0.06 0.00 -1.58 0.00 0.00 42.46 38.56 2r5q s ILE 84 CO 0.26 0.50 0.58 -0.63 -1.23 0.00 0.00 174.94 174.42 2r5q s ILE 85 N 1.14 4.94 0.64 2.92 -1.09 -0.60 -0.68 121.20 128.46 2r5q s ILE 85 Ca 0.01 -0.57 -0.07 0.00 -2.23 0.00 0.00 60.65 57.78 2r5q s ILE 85 Cb -0.14 -4.26 0.14 0.00 -1.58 0.00 0.00 42.46 36.62 2r5q s ILE 85 CO -0.05 -0.75 0.87 0.61 -1.23 0.00 0.00 174.94 174.39 2r5q n GLY 86 N 5.17 -0.61 0.27 6.18 0.00 -1.07 -2.05 105.19 113.08 2r5q n GLY 86 Ca -0.07 -1.82 0.13 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.87 0.56 114.38 118.76 2r5q h ARG 87 Ca -0.28 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.74 2r5q h ARG 87 Cb 0.86 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.91 2r5q h ARG 87 CO 0.23 0.11 -0.12 -2.95 -1.07 0.00 0.00 179.97 176.17 2r5q h ASN 88 N 0.00 0.00 0.02 7.04 -1.07 -1.80 -2.64 115.58 117.13 2r5q h ASN 88 Ca -0.00 0.00 -0.40 0.00 0.07 0.00 0.00 56.30 55.97 2r5q h ASN 88 Cb 0.32 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.51 2r5q h ASN 88 CO 0.01 0.12 -2.37 0.23 0.07 0.00 0.00 177.43 175.49 2r5q n MET 89 N -4.01 0.64 -0.35 4.14 2.81 -0.80 -4.39 117.12 115.16 2r5q n MET 89 Ca -0.02 0.22 0.14 0.00 -1.81 0.00 0.00 57.70 56.23 2r5q n MET 89 Cb 0.21 -1.55 0.34 0.00 -0.71 0.00 0.00 33.22 31.50 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 -0.34 0.76 -0.30 4.03 3.38 -0.88 -1.24 115.31 120.72 2r5q h LEU 90 Ca -0.58 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 2r5q h LEU 90 Cb 1.80 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.50 2r5q h LEU 90 CO -0.17 0.26 0.19 0.71 0.09 0.00 0.00 178.44 179.51 2r5q h THR 91 N 0.73 1.10 -0.11 0.22 1.35 -1.70 -1.74 112.91 112.77 2r5q h THR 91 Ca 0.58 -0.22 0.03 0.00 -0.55 0.00 0.00 66.41 66.25 2r5q h THR 91 Cb 0.95 0.71 -0.00 0.00 -1.73 0.00 0.00 68.15 68.07 2r5q h THR 91 CO -0.38 0.10 0.09 1.56 -0.25 0.00 0.00 175.52 176.63 2r5q h GLN 92 N 0.39 0.00 -0.01 4.72 1.08 -1.44 0.89 115.11 120.74 2r5q h GLN 92 Ca 0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 2r5q h GLN 92 Cb -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2r5q h GLN 92 CO -0.02 0.00 -0.06 1.28 -0.95 0.00 0.00 178.83 179.07 2r5q n LEU 93 N -4.37 0.64 -1.06 1.46 4.77 -0.96 -4.87 117.00 112.60 2r5q n LEU 93 Ca -0.00 -0.13 -0.10 0.00 -0.03 0.00 0.00 56.01 55.75 2r5q n LEU 93 Cb 0.20 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 2r5q n LEU 93 CO 0.33 0.11 -0.12 0.61 -1.33 0.00 0.00 177.39 176.99 2r5q n GLY 94 N 1.19 0.14 3.70 -0.72 0.00 0.31 -4.98 105.19 104.83 2r5q n GLY 94 Ca 0.18 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 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 1.53 1.24 -0.16 0.00 -4.23 -1.26 -4.66 115.64 108.10 2r5q s THR 96 Ca 0.48 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.97 2r5q s THR 96 Cb -0.19 -2.73 -0.01 0.00 1.34 0.00 0.00 72.50 70.90 2r5q s THR 96 CO 0.21 0.00 -0.09 -0.22 -0.54 0.00 0.00 174.62 173.98 2r5q s LEU 97 N -3.56 2.83 0.06 4.79 2.96 -1.26 -5.09 118.68 119.42 2r5q s LEU 97 Ca 0.33 -0.32 0.07 0.00 -0.22 0.00 0.00 54.13 53.98 2r5q s LEU 97 Cb 0.08 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 2r5q s LEU 97 CO 0.15 0.11 -0.18 0.20 -1.32 0.00 0.00 176.35 175.31 2r5q s ASN 98 N 0.68 2.16 0.00 3.68 -0.87 -1.26 -5.29 114.94 114.04 2r5q s ASN 98 Ca -0.05 -0.57 0.00 0.00 -1.57 0.00 0.00 52.86 50.67 2r5q s ASN 98 Cb -0.15 -0.13 0.00 0.00 -0.02 0.00 0.00 41.25 40.94 2r5q s ASN 98 CO 0.02 0.06 0.00 2.22 -2.57 0.00 0.00 177.10 176.83