#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o4k s GLN 2 N 0.00 3.68 -0.30 0.54 0.74 -1.26 -5.09 119.66 117.97 2o4k s GLN 2 Ca 0.00 -0.47 -0.06 0.00 0.05 0.00 0.00 55.36 54.87 2o4k s GLN 2 Cb 0.00 -3.25 0.01 0.00 1.10 0.00 0.00 33.01 30.88 2o4k s GLN 2 CO 0.00 -0.09 0.07 0.42 -0.55 0.00 0.00 175.29 175.14 2o4k s ILE 3 N 1.32 3.84 0.81 -2.34 1.01 -1.26 -5.10 121.20 119.47 2o4k s ILE 3 Ca 0.05 -0.78 -0.12 0.00 0.00 0.00 0.00 60.65 59.80 2o4k s ILE 3 Cb -0.15 -3.00 0.08 0.00 0.01 0.00 0.00 42.46 39.40 2o4k s ILE 3 CO 0.03 0.06 1.12 0.42 0.00 0.00 0.00 174.94 176.57 2o4k s THR 4 N 1.47 2.67 -0.15 2.92 -4.23 -1.26 -5.00 115.64 112.06 2o4k s THR 4 Ca 0.02 0.22 0.18 0.00 -1.18 0.00 0.00 61.69 60.93 2o4k s THR 4 Cb -0.17 -3.07 0.37 0.00 1.34 0.00 0.00 72.50 70.97 2o4k s THR 4 CO 0.02 -0.28 1.24 0.18 -0.54 0.00 0.00 174.62 175.23 2o4k n LEU 5 N -3.41 2.84 0.05 4.79 4.77 -1.26 -4.53 117.00 120.26 2o4k n LEU 5 Ca 0.07 -3.09 0.03 0.00 -0.03 0.00 0.00 56.01 52.99 2o4k n LEU 5 Cb 0.58 -0.47 0.40 0.00 -2.33 0.00 0.00 43.42 41.61 2o4k n LEU 5 CO 0.57 0.72 1.03 -0.50 -1.33 0.00 0.00 177.39 177.88 2o4k h TRP 6 N 0.57 0.41 -2.12 -1.77 4.06 -2.06 -3.44 115.95 111.61 2o4k h TRP 6 Ca 0.00 -0.02 -0.57 0.00 2.06 0.00 0.00 58.89 60.36 2o4k h TRP 6 Cb 1.14 -0.13 -0.13 0.00 -1.00 0.00 0.00 29.16 29.04 2o4k h TRP 6 CO 0.17 0.36 -0.63 0.15 -3.56 0.00 0.00 178.44 174.93 2o4k s LYS 7 N -5.14 1.81 0.22 0.49 -0.14 -1.26 -5.11 119.74 110.60 2o4k s LYS 7 Ca -0.07 -1.99 -0.32 0.00 -1.36 0.00 0.00 55.97 52.23 2o4k s LYS 7 Cb 0.16 -1.40 -0.12 0.00 -1.68 0.00 0.00 37.83 34.79 2o4k s LYS 7 CO 0.73 -0.04 1.64 0.54 -0.76 0.00 0.00 175.35 177.46 2o4k n ARG 8 N -0.82 2.56 -2.17 1.68 1.74 -1.26 -4.86 116.66 113.53 2o4k n ARG 8 Ca -0.04 0.92 -0.40 0.00 -0.77 0.00 0.00 57.85 57.56 2o4k n ARG 8 Cb 0.66 -2.72 -0.02 0.00 -1.02 0.00 0.00 32.46 29.36 2o4k n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2o4k n PRO 9 N 3.28 2.67 -3.39 5.56 -0.04 -1.26 -4.94 135.00 136.88 2o4k n PRO 9 Ca 0.14 -2.85 -0.38 0.00 -0.04 0.00 0.00 63.50 60.37 2o4k n PRO 9 Cb 0.34 -3.45 -0.06 0.00 -0.04 0.00 0.00 33.50 30.29 2o4k n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2o4k s LEU 10 N 4.82 4.33 0.19 1.53 1.43 -1.26 -1.08 118.68 128.63 2o4k s LEU 10 Ca 0.56 0.82 0.03 0.00 -1.03 0.00 0.00 54.13 54.50 2o4k s LEU 10 Cb 0.06 -2.63 -0.05 0.00 0.03 0.00 0.00 46.19 43.61 2o4k s LEU 10 CO 0.06 0.10 -0.01 0.68 0.23 0.00 0.00 176.35 177.41 2o4k s VAL 11 N 0.13 0.86 0.04 -1.59 -7.23 0.08 -4.94 120.40 107.74 2o4k s VAL 11 Ca 0.24 -2.01 -0.27 0.00 -1.81 0.00 0.00 61.98 58.14 2o4k s VAL 11 Cb -0.15 -2.16 -0.05 0.00 0.56 0.00 0.00 36.38 34.58 2o4k s VAL 11 CO 0.10 -0.46 0.83 -0.89 -0.31 0.00 0.00 175.10 174.38 2o4k s THR 12 N -3.54 4.74 0.28 5.32 2.01 -1.26 -0.79 115.64 122.41 2o4k s THR 12 Ca 0.24 1.77 0.11 0.00 0.31 0.00 0.00 61.69 64.12 2o4k s THR 12 Cb 0.05 -4.18 -0.05 0.00 0.01 0.00 0.00 72.50 68.33 2o4k s THR 12 CO 0.05 0.31 -0.13 0.27 -0.69 0.00 0.00 174.62 174.43 2o4k s ILE 13 N 0.23 2.76 -0.10 1.82 -4.36 0.10 -1.72 121.20 119.92 2o4k s ILE 13 Ca 0.42 -2.23 0.02 0.00 -0.26 0.00 0.00 60.65 58.60 2o4k s ILE 13 Cb -0.21 -2.50 0.01 0.00 1.25 0.00 0.00 42.46 41.02 2o4k s ILE 13 CO 0.25 -0.37 -0.15 -0.75 0.24 0.00 0.00 174.94 174.15 2o4k s LYS 14 N -3.57 2.19 -0.15 0.37 2.20 0.41 -1.75 119.74 119.44 2o4k s LYS 14 Ca 0.31 -0.56 -0.08 0.00 -0.36 0.00 0.00 55.97 55.28 2o4k s LYS 14 Cb -0.05 -1.84 0.06 0.00 -1.51 0.00 0.00 37.83 34.48 2o4k s LYS 14 CO 0.17 -0.04 0.37 -1.50 -0.36 0.00 0.00 175.35 173.99 2o4k s ILE 15 N 0.91 -0.03 -1.41 5.43 2.07 -0.36 -1.08 121.20 126.74 2o4k s ILE 15 Ca -0.08 0.10 -0.07 0.00 -1.41 0.00 0.00 60.65 59.19 2o4k s ILE 15 Cb -0.15 -0.55 0.04 0.00 0.13 0.00 0.00 42.46 41.92 2o4k s ILE 15 CO -0.00 0.04 0.53 0.61 -1.91 0.00 0.00 174.94 174.21 2o4k n GLY 16 N 4.21 -0.50 2.72 1.50 0.00 -1.26 -1.14 105.19 110.71 2o4k n GLY 16 Ca -0.23 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2o4k n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o4k n GLY 17 N -1.33 0.77 3.60 -0.02 0.00 -1.26 -5.03 105.19 101.92 2o4k n GLY 17 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 2o4k n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2o4k s GLN 18 N -0.10 3.00 -0.13 1.61 -0.21 -0.30 -5.11 119.66 118.43 2o4k s GLN 18 Ca 0.00 -0.50 -0.18 0.00 0.02 0.00 0.00 55.36 54.71 2o4k s GLN 18 Cb 0.00 -2.72 -0.04 0.00 1.00 0.00 0.00 33.01 31.25 2o4k s GLN 18 CO 0.00 0.60 0.45 -0.51 -2.12 0.00 0.00 175.29 173.71 2o4k s LEU 19 N -0.62 4.27 0.06 2.90 1.43 -1.26 -1.22 118.68 124.24 2o4k s LEU 19 Ca 0.10 0.77 0.01 0.00 -1.03 0.00 0.00 54.13 53.98 2o4k s LEU 19 Cb -0.12 -2.65 -0.03 0.00 0.03 0.00 0.00 46.19 43.42 2o4k s LEU 19 CO 0.02 0.01 -0.06 -0.54 0.23 0.00 0.00 176.35 176.01 2o4k s LYS 20 N 0.62 0.63 -0.06 1.70 1.02 -0.72 -5.00 119.74 117.94 2o4k s LYS 20 Ca 0.25 -1.03 -0.15 0.00 0.02 0.00 0.00 55.97 55.06 2o4k s LYS 20 Cb -0.15 -0.13 -0.05 0.00 -0.52 0.00 0.00 37.83 36.98 2o4k s LYS 20 CO 0.09 -0.01 0.38 -2.00 -0.92 0.00 0.00 175.35 172.90 2o4k s GLU 21 N -2.78 4.04 0.04 1.68 2.12 -1.26 -0.73 118.70 121.81 2o4k s GLU 21 Ca 0.00 0.33 -0.02 0.00 0.36 0.00 0.00 54.97 55.64 2o4k s GLU 21 Cb -0.01 -3.30 -0.03 0.00 0.26 0.00 0.00 34.13 31.04 2o4k s GLU 21 CO -0.03 0.50 -0.00 0.00 -0.54 0.00 0.00 175.26 175.18 2o4k s ALA 22 N -0.42 0.28 -0.21 6.30 0.00 0.03 -4.52 121.76 123.22 2o4k s ALA 22 Ca 0.22 -0.91 -0.17 0.00 0.00 0.00 0.00 51.96 51.11 2o4k s ALA 22 Cb -0.15 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 2o4k s ALA 22 CO 0.10 -0.31 0.45 -1.17 0.00 0.00 0.00 175.76 174.84 2o4k s LEU 23 N -2.37 4.14 -0.35 0.00 2.96 0.53 -0.74 118.68 122.84 2o4k s LEU 23 Ca -0.02 0.57 -0.29 0.00 -0.22 0.00 0.00 54.13 54.17 2o4k s LEU 23 Cb 0.01 -2.60 -0.00 0.00 0.50 0.00 0.00 46.19 44.10 2o4k s LEU 23 CO -0.07 -0.14 1.49 -0.76 -1.32 0.00 0.00 176.35 175.55 2o4k s LEU 24 N 1.56 3.67 -0.39 -0.68 1.43 -0.24 -0.77 118.68 123.26 2o4k s LEU 24 Ca 0.21 1.09 0.02 0.00 -1.03 0.00 0.00 54.13 54.42 2o4k s LEU 24 Cb -0.15 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.65 2o4k s LEU 24 CO 0.09 -1.40 0.15 -0.62 0.23 0.00 0.00 176.35 174.80 2o4k s ASP 25 N 4.15 4.23 0.39 2.29 -1.08 0.05 -4.77 116.67 121.92 2o4k s ASP 25 Ca 0.65 -2.29 0.28 0.00 -0.52 0.00 0.00 52.55 50.67 2o4k s ASP 25 Cb -0.17 -1.29 1.23 0.00 -1.46 0.00 0.00 42.92 41.22 2o4k s ASP 25 CO 0.31 -0.33 1.84 0.71 0.52 0.00 0.00 175.17 178.21 2o4k h THR 26 N 6.05 0.00 -0.12 1.71 1.35 -1.93 -2.40 112.91 117.57 2o4k h THR 26 Ca -0.07 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 2o4k h THR 26 Cb 0.97 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 2o4k h THR 26 CO 0.53 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 2o4k n GLY 27 N -0.20 -0.15 3.33 5.82 0.00 -1.26 -4.83 105.19 107.89 2o4k n GLY 27 Ca 0.01 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 2o4k n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o4k s ALA 28 N -1.84 2.75 0.28 4.61 0.00 -0.90 -4.99 121.76 121.66 2o4k s ALA 28 Ca 0.28 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 51.18 2o4k s ALA 28 Cb 0.15 -1.53 0.42 0.00 0.00 0.00 0.00 23.12 22.15 2o4k s ALA 28 CO 0.23 -0.21 1.76 -0.44 0.00 0.00 0.00 175.76 177.09 2o4k h ASP 29 N 7.64 0.58 -2.32 0.00 5.19 -1.88 0.13 116.42 125.76 2o4k h ASP 29 Ca -0.37 -0.16 -0.59 0.00 -0.62 0.00 0.00 57.03 55.29 2o4k h ASP 29 Cb 1.17 -0.15 -0.14 0.00 0.18 0.00 0.00 39.33 40.39 2o4k h ASP 29 CO 0.60 0.74 -0.75 -1.81 -3.12 0.00 0.00 179.24 174.89 2o4k s ASP 30 N -6.75 3.47 -0.22 6.45 1.01 -1.26 -3.13 116.67 116.24 2o4k s ASP 30 Ca -0.08 -1.04 -0.12 0.00 0.71 0.00 0.00 52.55 52.03 2o4k s ASP 30 Cb 0.14 -0.28 -0.05 0.00 1.01 0.00 0.00 42.92 43.74 2o4k s ASP 30 CO 0.79 0.00 0.22 -0.89 0.21 0.00 0.00 175.17 175.51 2o4k s THR 31 N -2.57 5.33 -0.05 -1.27 2.01 -1.26 -3.21 115.64 114.61 2o4k s THR 31 Ca 0.29 0.34 -0.00 0.00 0.31 0.00 0.00 61.69 62.63 2o4k s THR 31 Cb -0.04 -3.56 0.03 0.00 0.01 0.00 0.00 72.50 68.94 2o4k s THR 31 CO 0.14 0.35 -0.01 0.54 -0.69 0.00 0.00 174.62 174.95 2o4k s VAL 32 N 0.91 0.38 0.12 3.82 0.11 -0.54 -0.82 120.40 124.38 2o4k s VAL 32 Ca 0.11 0.04 0.08 0.00 -2.93 0.00 0.00 61.98 59.28 2o4k s VAL 32 Cb -0.13 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 2o4k s VAL 32 CO 0.04 0.22 -0.12 -0.76 -3.33 0.00 0.00 175.10 171.15 2o4k s LEU 33 N 1.40 2.96 0.96 2.54 1.43 0.34 -0.64 118.68 127.68 2o4k s LEU 33 Ca -0.04 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.50 2o4k s LEU 33 Cb -0.13 -1.75 0.13 0.00 0.03 0.00 0.00 46.19 44.47 2o4k s LEU 33 CO -0.03 0.17 0.90 -0.62 0.23 0.00 0.00 176.35 177.00 2o4k n GLU 34 N 0.62 -0.66 -1.62 1.70 1.02 -1.26 -1.54 120.64 118.91 2o4k n GLU 34 Ca -0.14 -0.14 -0.49 0.00 -0.02 0.00 0.00 57.16 56.37 2o4k n GLU 34 Cb 0.53 -2.20 -0.05 0.00 -0.02 0.00 0.00 31.44 29.70 2o4k n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2o4k n GLU 35 N -3.59 1.54 -3.65 3.49 -0.58 -1.23 -4.57 120.64 112.05 2o4k n GLU 35 Ca 0.09 0.55 -0.09 0.00 -0.42 0.00 0.00 57.16 57.30 2o4k n GLU 35 Cb 0.53 -2.23 -0.02 0.00 -0.57 0.00 0.00 31.44 29.15 2o4k n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2o4k s MET 36 N 0.53 1.47 0.01 3.49 0.23 -1.26 -5.04 119.30 118.73 2o4k s MET 36 Ca 0.81 -0.70 -0.18 0.00 -1.03 0.00 0.00 55.69 54.58 2o4k s MET 36 Cb -0.84 0.57 -0.06 0.00 -1.53 0.00 0.00 34.83 32.97 2o4k s MET 36 CO 0.44 -0.66 0.52 0.45 -2.03 0.00 0.00 175.02 173.74 2o4k s SER 37 N -2.82 6.93 0.08 -1.18 0.15 -1.26 -5.02 113.70 110.58 2o4k s SER 37 Ca 0.07 1.11 0.04 0.00 0.70 0.00 0.00 55.95 57.86 2o4k s SER 37 Cb -0.03 -2.32 -0.03 0.00 -1.71 0.00 0.00 66.02 61.92 2o4k s SER 37 CO -0.03 0.22 -0.11 -0.76 1.20 0.00 0.00 173.24 173.76 2o4k s LEU 38 N -0.68 2.34 0.57 3.45 1.43 -1.26 -4.96 118.68 119.59 2o4k s LEU 38 Ca 0.28 -0.71 -0.12 0.00 -1.03 0.00 0.00 54.13 52.54 2o4k s LEU 38 Cb -0.18 -0.37 -0.05 0.00 0.03 0.00 0.00 46.19 45.62 2o4k s LEU 38 CO 0.16 -0.19 0.99 -2.16 0.23 0.00 0.00 176.35 175.38 2o4k s PRO 39 N -2.28 3.69 0.39 1.29 0.04 -1.26 -4.96 135.00 131.90 2o4k s PRO 39 Ca 0.01 0.74 0.00 0.00 0.04 0.00 0.00 61.00 61.79 2o4k s PRO 39 Cb -0.06 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2o4k s PRO 39 CO 0.01 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.01 2o4k n GLY 40 N -2.37 -2.25 3.89 0.56 0.00 -1.26 -4.97 105.19 98.78 2o4k n GLY 40 Ca 0.06 -1.76 -0.29 0.00 0.00 0.00 0.00 46.02 44.03 2o4k n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2o4k s ARG 41 N -0.25 3.61 0.16 1.61 1.70 -1.26 -5.09 118.95 119.43 2o4k s ARG 41 Ca 0.00 0.46 -0.04 0.00 -0.47 0.00 0.00 55.73 55.68 2o4k s ARG 41 Cb 0.00 -2.26 -0.03 0.00 -0.57 0.00 0.00 34.95 32.09 2o4k s ARG 41 CO 0.00 -0.32 0.17 1.67 -1.08 0.00 0.00 175.30 175.75 2o4k s TRP 42 N -2.85 0.72 0.00 5.89 1.48 -1.26 -4.46 118.94 118.46 2o4k s TRP 42 Ca 0.51 -1.06 -0.07 0.00 -1.06 0.00 0.00 56.10 54.42 2o4k s TRP 42 Cb -0.11 -0.30 0.00 0.00 -1.16 0.00 0.00 33.47 31.90 2o4k s TRP 42 CO 0.46 -0.64 0.13 -1.59 -4.06 0.00 0.00 176.95 171.25 2o4k s LYS 43 N -4.04 0.47 0.56 3.25 -2.85 -0.93 -4.92 119.74 111.28 2o4k s LYS 43 Ca 0.24 -0.39 -0.18 0.00 -1.00 0.00 0.00 55.97 54.64 2o4k s LYS 43 Cb 0.05 0.20 -0.05 0.00 -2.06 0.00 0.00 37.83 35.97 2o4k s LYS 43 CO 0.03 -0.11 1.10 -1.25 0.10 0.00 0.00 175.35 175.22 2o4k s PRO 44 N -1.35 3.34 -0.04 1.78 0.04 -1.26 -0.16 135.00 137.35 2o4k s PRO 44 Ca -0.14 1.46 -0.09 0.00 0.04 0.00 0.00 61.00 62.27 2o4k s PRO 44 Cb -0.08 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.46 2o4k s PRO 44 CO 0.01 -0.83 0.21 0.21 0.04 0.00 0.00 177.00 176.64 2o4k s LYS 45 N -3.54 0.43 -0.19 4.56 2.20 -0.47 -4.84 119.74 117.89 2o4k s LYS 45 Ca 0.69 -0.07 -0.08 0.00 -0.36 0.00 0.00 55.97 56.16 2o4k s LYS 45 Cb -0.21 0.19 -0.04 0.00 -1.51 0.00 0.00 37.83 36.26 2o4k s LYS 45 CO 0.30 -0.09 0.08 -1.64 -0.36 0.00 0.00 175.35 173.63 2o4k s MET 46 N -0.75 4.02 0.06 4.03 -1.94 -1.26 -0.74 119.30 122.71 2o4k s MET 46 Ca -0.08 -0.32 0.09 0.00 -1.71 0.00 0.00 55.69 53.67 2o4k s MET 46 Cb -0.05 -3.27 -0.03 0.00 2.01 0.00 0.00 34.83 33.50 2o4k s MET 46 CO 0.02 0.27 -0.24 0.96 -0.01 0.00 0.00 175.02 176.01 2o4k s ILE 47 N 0.40 1.98 0.00 2.53 -4.36 -0.44 -4.97 121.20 116.34 2o4k s ILE 47 Ca 0.04 -1.37 0.08 0.00 -0.26 0.00 0.00 60.65 59.14 2o4k s ILE 47 Cb -0.12 -1.71 -0.02 0.00 1.25 0.00 0.00 42.46 41.86 2o4k s ILE 47 CO -0.00 0.26 -0.25 -0.83 0.24 0.00 0.00 174.94 174.37 2o4k s GLY 48 N -1.34 1.24 0.00 6.27 0.00 -1.26 -0.75 107.32 111.48 2o4k s GLY 48 Ca 0.10 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.72 2o4k s GLY 48 CO 0.02 -0.95 0.00 0.61 0.00 0.00 0.00 173.10 172.79 2o4k n GLY 49 N 2.27 4.89 3.75 0.20 0.00 -0.14 -4.98 105.19 111.17 2o4k n GLY 49 Ca -0.16 -1.36 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 2o4k n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2o4k s ILE 50 N -1.26 2.51 0.00 -0.61 -1.09 -1.26 -2.35 121.20 117.14 2o4k s ILE 50 Ca 0.00 0.45 0.00 0.00 -2.23 0.00 0.00 60.65 58.87 2o4k s ILE 50 Cb 0.00 -3.28 0.00 0.00 -1.58 0.00 0.00 42.46 37.60 2o4k s ILE 50 CO 0.00 0.08 0.00 0.61 -1.23 0.00 0.00 174.94 174.40 2o4k n GLY 51 N 1.93 3.13 0.00 6.18 0.00 -1.26 -4.94 105.19 110.22 2o4k n GLY 51 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2o4k n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o4k n GLY 52 N -0.89 0.54 3.69 -0.02 0.00 -0.99 -5.10 105.19 102.42 2o4k n GLY 52 Ca 0.00 -1.98 -0.30 0.00 0.00 0.00 0.00 46.02 43.74 2o4k n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2o4k s PHE 53 N -1.36 3.00 0.11 1.61 0.40 -1.26 -0.97 117.98 119.52 2o4k s PHE 53 Ca 0.00 -0.01 0.08 0.00 -0.60 0.00 0.00 56.93 56.40 2o4k s PHE 53 Cb 0.00 -1.55 -0.04 0.00 0.51 0.00 0.00 43.02 41.94 2o4k s PHE 53 CO 0.00 0.48 -0.20 0.96 0.70 0.00 0.00 175.22 177.16 2o4k s ILE 54 N -1.28 1.68 -0.04 0.64 -4.36 0.07 -4.96 121.20 112.94 2o4k s ILE 54 Ca 0.25 -1.61 -0.19 0.00 -0.26 0.00 0.00 60.65 58.84 2o4k s ILE 54 Cb -0.12 -1.58 -0.05 0.00 1.25 0.00 0.00 42.46 41.96 2o4k s ILE 54 CO 0.17 -0.14 0.54 -0.75 0.24 0.00 0.00 174.94 175.01 2o4k s LYS 55 N -2.10 4.28 0.19 0.37 2.20 -1.26 -1.32 119.74 122.10 2o4k s LYS 55 Ca 0.08 0.61 0.02 0.00 -0.36 0.00 0.00 55.97 56.32 2o4k s LYS 55 Cb -0.09 -3.36 -0.05 0.00 -1.51 0.00 0.00 37.83 32.82 2o4k s LYS 55 CO 0.05 0.32 -0.00 0.14 -0.36 0.00 0.00 175.35 175.49 2o4k s VAL 56 N 0.02 0.80 -0.21 4.02 -7.23 0.08 -4.45 120.40 113.42 2o4k s VAL 56 Ca 0.29 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.34 2o4k s VAL 56 Cb -0.17 -2.17 -0.05 0.00 0.56 0.00 0.00 36.38 34.55 2o4k s VAL 56 CO 0.14 -0.44 0.22 -0.13 -0.31 0.00 0.00 175.10 174.58 2o4k s ARG 57 N -3.89 4.16 -0.31 4.82 0.52 0.27 -1.37 118.95 123.15 2o4k s ARG 57 Ca 0.25 -0.10 -0.14 0.00 -0.52 0.00 0.00 55.73 55.21 2o4k s ARG 57 Cb 0.06 -3.48 -0.03 0.00 0.52 0.00 0.00 34.95 32.02 2o4k s ARG 57 CO 0.05 0.15 0.33 -1.14 0.02 0.00 0.00 175.30 174.71 2o4k s GLN 58 N 0.77 3.77 -0.17 3.54 0.74 0.77 -0.69 119.66 128.39 2o4k s GLN 58 Ca 0.11 -0.28 -0.04 0.00 0.05 0.00 0.00 55.36 55.21 2o4k s GLN 58 Cb -0.13 -3.73 -0.02 0.00 1.10 0.00 0.00 33.01 30.23 2o4k s GLN 58 CO 0.03 -0.38 -0.03 0.71 -0.55 0.00 0.00 175.29 175.06 2o4k s TYR 59 N 1.97 3.00 0.25 1.67 1.51 -0.32 -2.20 117.35 123.23 2o4k s TYR 59 Ca 0.11 -0.45 0.03 0.00 -1.01 0.00 0.00 57.07 55.76 2o4k s TYR 59 Cb -0.16 -2.01 -0.03 0.00 -0.11 0.00 0.00 41.96 39.65 2o4k s TYR 59 CO 0.11 -0.17 0.40 -0.51 -1.11 0.00 0.00 175.55 174.27 2o4k s ASP 60 N 0.69 6.32 -1.31 2.29 1.01 -1.26 -0.34 116.67 124.07 2o4k s ASP 60 Ca -0.02 0.21 -0.04 0.00 0.71 0.00 0.00 52.55 53.41 2o4k s ASP 60 Cb -0.14 -1.92 0.01 0.00 1.01 0.00 0.00 42.92 41.88 2o4k s ASP 60 CO 0.02 -0.11 0.94 0.00 0.21 0.00 0.00 175.17 176.23 2o4k n GLN 61 N -1.35 -6.21 -3.68 8.23 6.02 -1.17 -4.91 117.38 114.32 2o4k n GLN 61 Ca -0.07 0.74 -0.36 0.00 -0.01 0.00 0.00 57.00 57.29 2o4k n GLN 61 Cb 0.56 -5.60 -0.07 0.00 1.02 0.00 0.00 30.24 26.15 2o4k n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2o4k s ILE 62 N -3.44 5.36 0.03 5.09 -1.09 -0.04 -4.82 121.20 122.29 2o4k s ILE 62 Ca 0.21 0.38 -0.27 0.00 -2.23 0.00 0.00 60.65 58.74 2o4k s ILE 62 Cb -0.10 -3.53 -0.05 0.00 -1.58 0.00 0.00 42.46 37.20 2o4k s ILE 62 CO 0.77 0.47 0.84 -0.76 -1.23 0.00 0.00 174.94 175.04 2o4k s LEU 63 N -0.03 4.42 -0.00 2.97 1.43 -1.26 -1.68 118.68 124.52 2o4k s LEU 63 Ca 0.14 1.52 -0.02 0.00 -1.03 0.00 0.00 54.13 54.74 2o4k s LEU 63 Cb -0.12 -3.36 -0.00 0.00 0.03 0.00 0.00 46.19 42.74 2o4k s LEU 63 CO 0.03 -0.09 0.03 -0.51 0.23 0.00 0.00 176.35 176.04 2o4k s ILE 64 N 0.37 0.05 -0.19 -0.59 2.07 -0.38 -4.50 121.20 118.02 2o4k s ILE 64 Ca 0.43 -0.38 -0.02 0.00 -1.41 0.00 0.00 60.65 59.27 2o4k s ILE 64 Cb -0.21 -0.18 -0.00 0.00 0.13 0.00 0.00 42.46 42.21 2o4k s ILE 64 CO 0.25 -0.21 -0.10 -0.70 -1.91 0.00 0.00 174.94 172.27 2o4k s GLU 65 N -0.63 3.28 -0.26 3.50 2.12 -0.24 -0.67 118.70 125.80 2o4k s GLU 65 Ca -0.07 -0.69 -0.00 0.00 0.36 0.00 0.00 54.97 54.57 2o4k s GLU 65 Cb -0.04 -2.82 0.04 0.00 0.26 0.00 0.00 34.13 31.57 2o4k s GLU 65 CO -0.00 -0.12 -0.07 0.42 -0.54 0.00 0.00 175.26 174.95 2o4k s ILE 66 N 1.20 2.65 -1.61 -3.70 1.01 0.55 -0.44 121.20 120.86 2o4k s ILE 66 Ca 0.02 -1.24 -0.16 0.00 0.00 0.00 0.00 60.65 59.27 2o4k s ILE 66 Cb -0.14 -2.41 0.12 0.00 0.01 0.00 0.00 42.46 40.03 2o4k s ILE 66 CO -0.04 0.11 0.90 0.00 0.00 0.00 0.00 174.94 175.92 2o4k n GLY 68 N -1.56 1.16 3.49 0.00 0.00 -1.26 -5.05 105.19 101.97 2o4k n GLY 68 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 2o4k n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2o4k s HIS 69 N -2.66 3.11 0.26 1.61 4.02 0.32 -5.09 115.29 116.87 2o4k s HIS 69 Ca 0.00 -0.30 -0.29 0.00 1.02 0.00 0.00 55.06 55.49 2o4k s HIS 69 Cb 0.00 -2.16 -0.09 0.00 -1.02 0.00 0.00 32.58 29.30 2o4k s HIS 69 CO 0.00 -0.20 0.99 0.15 1.02 0.00 0.00 174.74 176.69 2o4k s LYS 70 N 1.17 4.75 0.13 1.40 1.02 -1.26 -0.33 119.74 126.62 2o4k s LYS 70 Ca 0.04 1.57 -0.10 0.00 0.02 0.00 0.00 55.97 57.50 2o4k s LYS 70 Cb -0.14 -3.19 0.00 0.00 -0.52 0.00 0.00 37.83 33.98 2o4k s LYS 70 CO 0.03 0.39 0.28 0.00 -0.92 0.00 0.00 175.35 175.12 2o4k s ALA 71 N -1.23 -0.24 -0.01 5.17 0.00 0.15 -4.83 121.76 120.77 2o4k s ALA 71 Ca 0.43 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 51.77 2o4k s ALA 71 Cb -0.27 0.70 -0.01 0.00 0.00 0.00 0.00 23.12 23.54 2o4k s ALA 71 CO 0.34 -0.60 -0.09 -1.50 0.00 0.00 0.00 175.76 173.91 2o4k s ILE 72 N -3.90 0.68 -0.66 0.00 2.07 -1.26 -1.25 121.20 116.88 2o4k s ILE 72 Ca 0.11 -0.38 0.00 0.00 -1.41 0.00 0.00 60.65 58.97 2o4k s ILE 72 Cb 0.03 -0.57 0.00 0.00 0.13 0.00 0.00 42.46 42.05 2o4k s ILE 72 CO -0.06 0.19 0.00 0.61 -1.91 0.00 0.00 174.94 173.77 2o4k n GLY 73 N 2.85 -1.27 3.74 1.50 0.00 -0.68 -4.92 105.19 106.42 2o4k n GLY 73 Ca -0.13 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.60 2o4k n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2o4k s THR 74 N -2.87 4.35 -0.08 2.61 2.01 -1.26 -0.86 115.64 119.55 2o4k s THR 74 Ca 0.00 2.00 0.02 0.00 0.31 0.00 0.00 61.69 64.02 2o4k s THR 74 Cb 0.00 -4.29 0.01 0.00 0.01 0.00 0.00 72.50 68.24 2o4k s THR 74 CO 0.00 0.41 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.52 2o4k s VAL 75 N -0.56 1.25 -0.03 3.82 1.01 0.54 -4.51 120.40 121.93 2o4k s VAL 75 Ca 0.43 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 61.81 2o4k s VAL 75 Cb -0.24 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 2o4k s VAL 75 CO 0.30 0.38 0.23 -0.76 0.00 0.00 0.00 175.10 175.25 2o4k s LEU 76 N 0.76 4.38 -0.06 3.92 1.43 0.00 -1.18 118.68 127.94 2o4k s LEU 76 Ca -0.12 0.52 0.03 0.00 -1.03 0.00 0.00 54.13 53.53 2o4k s LEU 76 Cb -0.16 -2.52 0.01 0.00 0.03 0.00 0.00 46.19 43.56 2o4k s LEU 76 CO 0.03 0.30 -0.13 -0.69 0.23 0.00 0.00 176.35 176.09 2o4k s VAL 77 N -1.23 1.14 -1.57 -1.59 1.01 0.13 -0.50 120.40 117.80 2o4k s VAL 77 Ca 0.24 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.72 2o4k s VAL 77 Cb -0.13 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.21 2o4k s VAL 77 CO 0.14 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.20 2o4k n GLY 78 N 3.69 -1.00 2.18 4.51 0.00 -0.59 -0.57 105.19 113.41 2o4k n GLY 78 Ca -0.22 -0.87 -0.14 0.00 0.00 0.00 0.00 46.02 44.79 2o4k n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2o4k n PRO 79 N 0.00 1.87 -2.70 1.61 -0.04 -1.26 -3.55 135.00 130.93 2o4k n PRO 79 Ca 0.00 -1.01 -0.40 0.00 -0.04 0.00 0.00 63.50 62.05 2o4k n PRO 79 Cb 0.00 -2.05 -0.06 0.00 -0.04 0.00 0.00 33.50 31.35 2o4k n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2o4k s THR 80 N 1.70 3.97 0.49 0.52 -1.32 -1.26 -4.96 115.64 114.78 2o4k s THR 80 Ca 0.54 1.93 0.20 0.00 -1.21 0.00 0.00 61.69 63.15 2o4k s THR 80 Cb 0.23 -4.21 0.26 0.00 -1.51 0.00 0.00 72.50 67.27 2o4k s THR 80 CO -0.01 0.42 2.10 -0.65 -2.21 0.00 0.00 174.62 174.27 2o4k h PRO 81 N 3.94 0.00 -3.58 7.08 0.11 -1.98 -3.42 132.00 134.14 2o4k h PRO 81 Ca -0.46 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.50 2o4k h PRO 81 Cb 1.20 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.10 2o4k h PRO 81 CO 0.67 0.09 -0.53 0.14 -0.21 0.00 0.00 178.00 178.17 2o4k s VAL 82 N -4.66 0.09 -0.00 3.15 -7.23 -1.26 -5.07 120.40 105.41 2o4k s VAL 82 Ca -0.04 -0.71 -0.30 0.00 -1.81 0.00 0.00 61.98 59.12 2o4k s VAL 82 Cb 0.15 -0.40 -0.05 0.00 0.56 0.00 0.00 36.38 36.64 2o4k s VAL 82 CO 0.64 -0.39 1.39 0.20 -0.31 0.00 0.00 175.10 176.63 2o4k s ASN 83 N -1.36 6.87 -0.14 4.85 0.01 -1.26 -4.65 114.94 119.26 2o4k s ASN 83 Ca -0.15 2.09 0.02 0.00 -0.71 0.00 0.00 52.86 54.12 2o4k s ASN 83 Cb -0.08 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 39.03 2o4k s ASN 83 CO 0.01 -0.71 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.06 2o4k s ILE 84 N 2.38 1.98 -0.41 0.60 1.01 0.18 -0.35 121.20 126.59 2o4k s ILE 84 Ca 0.63 -0.93 -0.18 0.00 0.00 0.00 0.00 60.65 60.18 2o4k s ILE 84 Cb -0.31 -1.76 0.02 0.00 0.01 0.00 0.00 42.46 40.42 2o4k s ILE 84 CO 0.26 0.53 0.47 -0.63 0.00 0.00 0.00 174.94 175.57 2o4k s ILE 85 N 0.90 5.05 0.51 2.92 -1.09 0.05 -1.47 121.20 128.07 2o4k s ILE 85 Ca -0.05 -0.21 0.02 0.00 -2.23 0.00 0.00 60.65 58.18 2o4k s ILE 85 Cb -0.15 -4.05 0.10 0.00 -1.58 0.00 0.00 42.46 36.78 2o4k s ILE 85 CO -0.03 -0.41 0.70 0.61 -1.23 0.00 0.00 174.94 174.57 2o4k n GLY 86 N 5.07 1.02 0.27 6.18 0.00 -1.20 -0.77 105.19 115.77 2o4k n GLY 86 Ca -0.06 -2.06 0.04 0.00 0.00 0.00 0.00 46.02 43.93 2o4k n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2o4k h ARG 87 N 0.00 0.33 -0.42 1.61 3.08 -0.82 -1.35 114.38 116.80 2o4k h ARG 87 Ca -0.23 -0.04 0.11 0.00 0.07 0.00 0.00 59.98 59.88 2o4k h ARG 87 Cb 0.91 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 2o4k h ARG 87 CO 0.27 0.31 0.30 -2.95 -1.07 0.00 0.00 179.97 176.83 2o4k h ASN 88 N 0.33 0.07 0.00 7.04 -1.07 -1.80 -1.65 115.58 118.51 2o4k h ASN 88 Ca 0.08 0.00 -0.27 0.00 0.07 0.00 0.00 56.30 56.18 2o4k h ASN 88 Cb 0.12 -0.01 -0.05 0.00 -2.07 0.00 0.00 38.32 36.31 2o4k h ASN 88 CO -0.00 0.04 -2.19 0.18 0.07 0.00 0.00 177.43 175.53 2o4k n LEU 89 N -4.43 0.00 -0.29 6.14 4.77 -0.78 -4.42 117.00 117.99 2o4k n LEU 89 Ca 0.07 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2o4k n LEU 89 Cb 0.44 0.36 0.19 0.00 -2.33 0.00 0.00 43.42 42.09 2o4k n LEU 89 CO 0.36 0.36 1.26 -0.07 -1.33 0.00 0.00 177.39 177.98 2o4k h LEU 90 N 0.00 0.98 -1.15 2.23 3.38 -0.96 -1.79 115.31 118.00 2o4k h LEU 90 Ca -0.40 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.60 2o4k h LEU 90 Cb 1.89 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 42.35 2o4k h LEU 90 CO 0.02 0.70 0.58 0.71 0.09 0.00 0.00 178.44 180.55 2o4k h THR 91 N 1.16 1.11 0.00 0.22 1.35 -1.53 -1.95 112.91 113.27 2o4k h THR 91 Ca 0.33 -0.37 -0.08 0.00 -0.55 0.00 0.00 66.41 65.74 2o4k h THR 91 Cb -0.10 -0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 66.27 2o4k h THR 91 CO -0.08 0.19 -0.37 1.56 -0.25 0.00 0.00 175.52 176.57 2o4k h GLN 92 N 1.07 0.00 -0.13 4.72 1.08 -1.54 -1.67 115.11 118.64 2o4k h GLN 92 Ca 0.37 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.57 2o4k h GLN 92 Cb 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 2o4k h GLN 92 CO -0.12 0.37 0.00 0.44 -0.95 0.00 0.00 178.83 178.57 2o4k n ILE 93 N -3.69 0.15 -2.00 2.54 -5.35 -1.11 -4.94 119.36 104.96 2o4k n ILE 93 Ca -0.01 -0.42 -0.02 0.00 -0.27 0.00 0.00 62.75 62.03 2o4k n ILE 93 Cb 0.47 0.75 -0.00 0.00 -1.74 0.00 0.00 39.64 39.11 2o4k n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2o4k n GLY 94 N 1.26 0.29 3.70 3.28 0.00 -0.63 -5.00 105.19 108.08 2o4k n GLY 94 Ca 0.17 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 2o4k n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o4k s THR 96 N 1.49 1.65 -0.01 0.00 -4.23 -1.26 -4.68 115.64 108.60 2o4k s THR 96 Ca 0.51 -2.10 -0.17 0.00 -1.18 0.00 0.00 61.69 58.74 2o4k s THR 96 Cb -0.20 -1.94 -0.06 0.00 1.34 0.00 0.00 72.50 71.64 2o4k s THR 96 CO 0.23 -0.55 0.49 -0.76 -0.54 0.00 0.00 174.62 173.49 2o4k s LEU 97 N -3.11 4.44 -0.02 4.79 1.43 -1.26 -5.09 118.68 119.85 2o4k s LEU 97 Ca 0.19 1.03 0.00 0.00 -1.03 0.00 0.00 54.13 54.33 2o4k s LEU 97 Cb -0.02 -2.74 0.02 0.00 0.03 0.00 0.00 46.19 43.49 2o4k s LEU 97 CO 0.06 0.21 -0.00 0.20 0.23 0.00 0.00 176.35 177.04 2o4k s ASN 98 N -0.57 0.32 0.00 2.29 -0.87 -1.26 -5.30 114.94 109.55 2o4k s ASN 98 Ca 0.27 -0.02 0.00 0.00 -1.57 0.00 0.00 52.86 51.54 2o4k s ASN 98 Cb -0.17 -0.15 0.00 0.00 -0.02 0.00 0.00 41.25 40.91 2o4k s ASN 98 CO 0.15 -0.07 0.00 2.22 -2.57 0.00 0.00 177.10 176.82