#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 3.55 -0.24 0.54 0.74 -1.26 -5.10 119.66 117.89 2o4k s GLN 2 Ca 0.00 -0.56 -0.01 0.00 0.05 0.00 0.00 55.36 54.84 2o4k s GLN 2 Cb 0.00 -2.98 0.03 0.00 1.10 0.00 0.00 33.01 31.16 2o4k s GLN 2 CO 0.00 0.03 -0.08 0.42 -0.55 0.00 0.00 175.29 175.11 2o4k s ILE 3 N 0.91 2.73 0.81 -2.34 1.01 -1.26 -5.11 121.20 117.96 2o4k s ILE 3 Ca -0.00 -1.06 -0.11 0.00 0.00 0.00 0.00 60.65 59.48 2o4k s ILE 3 Cb -0.15 -2.38 0.10 0.00 0.01 0.00 0.00 42.46 40.04 2o4k s ILE 3 CO 0.01 0.22 1.16 0.42 0.00 0.00 0.00 174.94 176.75 2o4k s THR 4 N 1.30 2.08 -0.09 2.92 -4.23 -1.26 -5.03 115.64 111.34 2o4k s THR 4 Ca -0.00 -0.10 0.13 0.00 -1.18 0.00 0.00 61.69 60.54 2o4k s THR 4 Cb -0.17 -2.98 0.19 0.00 1.34 0.00 0.00 72.50 70.89 2o4k s THR 4 CO -0.05 0.00 1.09 0.18 -0.54 0.00 0.00 174.62 175.29 2o4k n LEU 5 N -3.29 2.08 0.17 4.79 4.77 -1.26 -4.58 117.00 119.67 2o4k n LEU 5 Ca 0.10 -2.62 0.05 0.00 -0.03 0.00 0.00 56.01 53.51 2o4k n LEU 5 Cb 0.60 -0.28 0.50 0.00 -2.33 0.00 0.00 43.42 41.91 2o4k n LEU 5 CO 0.53 0.61 0.99 -0.50 -1.33 0.00 0.00 177.39 177.69 2o4k h TRP 6 N 0.00 0.16 -1.90 -1.77 4.06 -2.06 -3.43 115.95 111.02 2o4k h TRP 6 Ca 0.00 -0.01 -0.59 0.00 2.06 0.00 0.00 58.89 60.35 2o4k h TRP 6 Cb 0.89 -0.05 -0.11 0.00 -1.00 0.00 0.00 29.16 28.89 2o4k h TRP 6 CO 0.01 0.21 -0.62 0.15 -3.56 0.00 0.00 178.44 174.62 2o4k s LYS 7 N -4.93 2.03 0.21 0.49 1.02 -1.26 -5.11 119.74 112.19 2o4k s LYS 7 Ca -0.05 -1.81 -0.32 0.00 0.02 0.00 0.00 55.97 53.81 2o4k s LYS 7 Cb 0.16 -1.88 -0.13 0.00 -0.52 0.00 0.00 37.83 35.47 2o4k s LYS 7 CO 0.71 0.12 1.56 0.54 -0.92 0.00 0.00 175.35 177.36 2o4k n ARG 8 N -0.94 2.32 -1.76 1.68 1.74 -1.26 -4.86 116.66 113.59 2o4k n ARG 8 Ca -0.04 0.83 -0.41 0.00 -0.77 0.00 0.00 57.85 57.46 2o4k n ARG 8 Cb 0.63 -2.59 -0.02 0.00 -1.02 0.00 0.00 32.46 29.45 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 2.98 2.38 -3.23 5.56 -0.04 -1.26 -4.92 135.00 136.46 2o4k n PRO 9 Ca 0.14 -2.49 -0.38 0.00 -0.04 0.00 0.00 63.50 60.73 2o4k n PRO 9 Cb 0.32 -3.27 -0.06 0.00 -0.04 0.00 0.00 33.50 30.45 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 3.30 4.31 0.27 1.53 1.43 -1.26 -1.32 118.68 126.92 2o4k s LEU 10 Ca 0.54 0.96 0.07 0.00 -1.03 0.00 0.00 54.13 54.67 2o4k s LEU 10 Cb 0.11 -2.83 -0.06 0.00 0.03 0.00 0.00 46.19 43.44 2o4k s LEU 10 CO 0.03 -0.02 -0.07 0.68 0.23 0.00 0.00 176.35 177.20 2o4k s VAL 11 N 0.56 1.63 0.06 -1.59 -7.23 0.06 -4.94 120.40 108.95 2o4k s VAL 11 Ca 0.30 -2.13 -0.25 0.00 -1.81 0.00 0.00 61.98 58.08 2o4k s VAL 11 Cb -0.16 -2.39 -0.06 0.00 0.56 0.00 0.00 36.38 34.33 2o4k s VAL 11 CO 0.13 -0.34 0.77 -0.89 -0.31 0.00 0.00 175.10 174.46 2o4k s THR 12 N -3.03 4.68 0.26 5.32 2.01 -1.26 -0.83 115.64 122.79 2o4k s THR 12 Ca 0.28 1.65 0.11 0.00 0.31 0.00 0.00 61.69 64.05 2o4k s THR 12 Cb 0.03 -4.12 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 2o4k s THR 12 CO 0.11 0.38 -0.17 0.27 -0.69 0.00 0.00 174.62 174.52 2o4k s ILE 13 N -0.17 2.63 -0.09 1.82 -4.36 0.60 -1.17 121.20 120.46 2o4k s ILE 13 Ca 0.38 -2.26 0.01 0.00 -0.26 0.00 0.00 60.65 58.53 2o4k s ILE 13 Cb -0.21 -2.37 0.02 0.00 1.25 0.00 0.00 42.46 41.15 2o4k s ILE 13 CO 0.24 -0.35 -0.12 -0.75 0.24 0.00 0.00 174.94 174.20 2o4k s LYS 14 N -3.39 1.83 -0.08 0.37 2.20 0.39 -1.06 119.74 120.01 2o4k s LYS 14 Ca 0.29 -0.42 -0.05 0.00 -0.36 0.00 0.00 55.97 55.43 2o4k s LYS 14 Cb -0.06 -1.61 0.03 0.00 -1.51 0.00 0.00 37.83 34.69 2o4k s LYS 14 CO 0.15 -0.07 0.19 -1.50 -0.36 0.00 0.00 175.35 173.75 2o4k s ILE 15 N 1.02 -0.03 -1.41 5.43 2.07 -0.45 -0.77 121.20 127.07 2o4k s ILE 15 Ca -0.07 0.11 -0.08 0.00 -1.41 0.00 0.00 60.65 59.20 2o4k s ILE 15 Cb -0.15 -0.29 0.05 0.00 0.13 0.00 0.00 42.46 42.20 2o4k s ILE 15 CO -0.01 0.04 0.60 0.61 -1.91 0.00 0.00 174.94 174.27 2o4k n GLY 16 N 3.80 -0.50 3.00 1.50 0.00 -1.26 -1.19 105.19 110.53 2o4k n GLY 16 Ca -0.21 0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.37 0.63 3.67 -0.02 0.00 -1.26 -5.01 105.19 101.83 2o4k n GLY 17 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.35 3.13 0.03 1.61 -0.21 -0.34 -5.11 119.66 118.43 2o4k s GLN 18 Ca 0.00 -0.40 -0.21 0.00 0.02 0.00 0.00 55.36 54.77 2o4k s GLN 18 Cb 0.00 -2.85 -0.06 0.00 1.00 0.00 0.00 33.01 31.10 2o4k s GLN 18 CO 0.00 0.64 0.63 -0.51 -2.12 0.00 0.00 175.29 173.92 2o4k s LEU 19 N -0.70 4.46 0.09 2.90 1.43 -1.26 -1.33 118.68 124.26 2o4k s LEU 19 Ca 0.11 1.26 0.01 0.00 -1.03 0.00 0.00 54.13 54.47 2o4k s LEU 19 Cb -0.12 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.08 2o4k s LEU 19 CO 0.02 0.13 -0.04 -0.54 0.23 0.00 0.00 176.35 176.15 2o4k s LYS 20 N -0.43 0.78 -0.04 1.70 1.02 -0.22 -4.99 119.74 117.57 2o4k s LYS 20 Ca 0.32 -1.32 -0.16 0.00 0.02 0.00 0.00 55.97 54.84 2o4k s LYS 20 Cb -0.19 -0.05 -0.05 0.00 -0.52 0.00 0.00 37.83 37.01 2o4k s LYS 20 CO 0.19 -0.07 0.42 -2.00 -0.92 0.00 0.00 175.35 172.97 2o4k s GLU 21 N -3.88 4.05 0.03 1.68 2.12 -1.26 -0.29 118.70 121.16 2o4k s GLU 21 Ca 0.12 0.41 -0.04 0.00 0.36 0.00 0.00 54.97 55.82 2o4k s GLU 21 Cb 0.06 -3.29 -0.02 0.00 0.26 0.00 0.00 34.13 31.15 2o4k s GLU 21 CO -0.06 0.53 0.06 0.00 -0.54 0.00 0.00 175.26 175.25 2o4k s ALA 22 N -0.57 0.04 -0.21 6.30 0.00 -0.01 -4.47 121.76 122.84 2o4k s ALA 22 Ca 0.24 -0.63 -0.16 0.00 0.00 0.00 0.00 51.96 51.40 2o4k s ALA 22 Cb -0.16 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 2o4k s ALA 22 CO 0.12 -0.29 0.42 -1.17 0.00 0.00 0.00 175.76 174.84 2o4k s LEU 23 N -2.08 4.14 -0.31 0.00 2.96 0.16 -0.76 118.68 122.79 2o4k s LEU 23 Ca -0.06 0.54 -0.29 0.00 -0.22 0.00 0.00 54.13 54.10 2o4k s LEU 23 Cb -0.02 -2.55 0.00 0.00 0.50 0.00 0.00 46.19 44.12 2o4k s LEU 23 CO -0.04 -0.11 1.29 -0.76 -1.32 0.00 0.00 176.35 175.41 2o4k s LEU 24 N 1.44 3.86 -0.36 -0.68 1.43 -0.44 -0.44 118.68 123.50 2o4k s LEU 24 Ca 0.20 1.17 0.01 0.00 -1.03 0.00 0.00 54.13 54.48 2o4k s LEU 24 Cb -0.15 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.64 2o4k s LEU 24 CO 0.08 -1.09 0.13 -0.62 0.23 0.00 0.00 176.35 175.08 2o4k s ASP 25 N 2.79 4.13 0.43 2.29 -1.08 -0.06 -4.78 116.67 120.38 2o4k s ASP 25 Ca 0.56 -2.06 0.30 0.00 -0.52 0.00 0.00 52.55 50.83 2o4k s ASP 25 Cb -0.16 -1.12 1.25 0.00 -1.46 0.00 0.00 42.92 41.43 2o4k s ASP 25 CO 0.23 -0.36 1.88 0.71 0.52 0.00 0.00 175.17 178.15 2o4k h THR 26 N 6.18 0.00 -0.15 1.71 1.35 -1.93 -2.50 112.91 117.57 2o4k h THR 26 Ca -0.08 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 2o4k h THR 26 Cb 0.99 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 2o4k h THR 26 CO 0.50 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.38 2o4k n GLY 27 N -0.05 -0.05 3.28 5.82 0.00 -1.26 -4.83 105.19 108.09 2o4k n GLY 27 Ca 0.01 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.80 2.52 0.23 4.61 0.00 -0.94 -4.99 121.76 121.39 2o4k s ALA 28 Ca 0.26 -1.04 -0.03 0.00 0.00 0.00 0.00 51.96 51.15 2o4k s ALA 28 Cb 0.13 -1.24 0.25 0.00 0.00 0.00 0.00 23.12 22.26 2o4k s ALA 28 CO 0.20 -0.02 1.68 -0.44 0.00 0.00 0.00 175.76 177.18 2o4k h ASP 29 N 7.29 0.76 -2.00 0.00 5.19 -1.88 0.39 116.42 126.17 2o4k h ASP 29 Ca -0.32 -0.24 -0.59 0.00 -0.62 0.00 0.00 57.03 55.25 2o4k h ASP 29 Cb 1.19 -0.21 -0.12 0.00 0.18 0.00 0.00 39.33 40.38 2o4k h ASP 29 CO 0.57 0.91 -0.66 -1.81 -3.12 0.00 0.00 179.24 175.14 2o4k s ASP 30 N -6.71 4.03 -0.22 6.45 1.01 -1.26 -2.79 116.67 117.17 2o4k s ASP 30 Ca -0.09 -1.01 -0.11 0.00 0.71 0.00 0.00 52.55 52.05 2o4k s ASP 30 Cb 0.14 -0.49 -0.05 0.00 1.01 0.00 0.00 42.92 43.53 2o4k s ASP 30 CO 0.82 -0.16 0.19 -0.89 0.21 0.00 0.00 175.17 175.34 2o4k s THR 31 N -2.52 5.35 -0.09 -1.27 2.01 -1.26 -3.13 115.64 114.72 2o4k s THR 31 Ca 0.33 0.27 -0.01 0.00 0.31 0.00 0.00 61.69 62.60 2o4k s THR 31 Cb -0.01 -3.53 0.03 0.00 0.01 0.00 0.00 72.50 68.99 2o4k s THR 31 CO 0.18 0.35 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.72 2o4k s VAL 32 N 0.93 0.78 0.15 3.82 1.01 -0.34 -0.56 120.40 126.19 2o4k s VAL 32 Ca 0.10 -0.15 0.08 0.00 0.00 0.00 0.00 61.98 62.01 2o4k s VAL 32 Cb -0.13 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 2o4k s VAL 32 CO 0.04 0.32 -0.06 -0.76 0.00 0.00 0.00 175.10 174.63 2o4k s LEU 33 N 1.69 3.12 0.83 3.92 1.43 0.64 -0.27 118.68 130.05 2o4k s LEU 33 Ca 0.03 -0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 52.56 2o4k s LEU 33 Cb -0.13 -1.83 0.10 0.00 0.03 0.00 0.00 46.19 44.36 2o4k s LEU 33 CO -0.06 0.13 1.19 -1.61 0.23 0.00 0.00 176.35 176.23 2o4k s GLU 34 N -2.63 1.49 -0.08 1.70 2.02 -1.26 -2.04 118.70 117.90 2o4k s GLU 34 Ca 0.24 1.70 -0.41 0.00 0.02 0.00 0.00 54.97 56.53 2o4k s GLU 34 Cb -0.10 -1.77 -0.19 0.00 0.10 0.00 0.00 34.13 32.17 2o4k s GLU 34 CO 0.16 -2.31 1.21 -1.91 0.02 0.00 0.00 175.26 172.43 2o4k n GLU 35 N -3.52 0.20 -3.80 1.61 4.07 -1.22 -4.65 120.64 113.32 2o4k n GLU 35 Ca 0.13 0.07 -0.05 0.00 -0.06 0.00 0.00 57.16 57.25 2o4k n GLU 35 Cb 0.51 -1.60 -0.01 0.00 -0.06 0.00 0.00 31.44 30.28 2o4k n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2o4k s MET 36 N 0.66 1.47 -0.16 5.31 0.23 -1.26 -5.05 119.30 120.50 2o4k s MET 36 Ca 0.93 -0.84 -0.13 0.00 -1.03 0.00 0.00 55.69 54.61 2o4k s MET 36 Cb -1.26 0.48 -0.05 0.00 -1.53 0.00 0.00 34.83 32.48 2o4k s MET 36 CO 0.60 -0.68 0.26 0.45 -2.03 0.00 0.00 175.02 173.62 2o4k s SER 37 N -3.00 6.40 0.12 -1.18 0.15 -1.26 -5.04 113.70 109.89 2o4k s SER 37 Ca 0.13 0.47 0.05 0.00 0.70 0.00 0.00 55.95 57.30 2o4k s SER 37 Cb -0.03 -2.16 -0.04 0.00 -1.71 0.00 0.00 66.02 62.08 2o4k s SER 37 CO 0.05 0.14 -0.12 -0.76 1.20 0.00 0.00 173.24 173.74 2o4k s LEU 38 N 0.32 2.42 0.68 3.45 1.43 -1.26 -5.00 118.68 120.71 2o4k s LEU 38 Ca 0.15 -0.84 -0.11 0.00 -1.03 0.00 0.00 54.13 52.30 2o4k s LEU 38 Cb -0.13 -0.44 -0.01 0.00 0.03 0.00 0.00 46.19 45.65 2o4k s LEU 38 CO 0.03 -0.21 1.06 -2.16 0.23 0.00 0.00 176.35 175.30 2o4k s PRO 39 N -2.86 3.12 0.69 1.29 0.04 -1.26 -4.96 135.00 131.06 2o4k s PRO 39 Ca 0.09 0.78 0.00 0.00 0.04 0.00 0.00 61.00 61.91 2o4k s PRO 39 Cb -0.03 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2o4k s PRO 39 CO 0.02 -0.92 0.00 0.41 0.04 0.00 0.00 177.00 176.54 2o4k n GLY 40 N -2.44 -2.10 3.90 0.56 0.00 -1.26 -4.91 105.19 98.94 2o4k n GLY 40 Ca 0.07 -1.58 -0.29 0.00 0.00 0.00 0.00 46.02 44.22 2o4k n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2o4k s ARG 41 N -0.12 3.66 0.23 1.61 0.52 -1.26 -5.10 118.95 118.49 2o4k s ARG 41 Ca 0.00 0.20 0.08 0.00 -0.52 0.00 0.00 55.73 55.49 2o4k s ARG 41 Cb 0.00 -2.49 -0.05 0.00 0.52 0.00 0.00 34.95 32.93 2o4k s ARG 41 CO 0.00 0.02 -0.14 1.67 0.02 0.00 0.00 175.30 176.87 2o4k s TRP 42 N -2.35 1.84 0.20 -0.53 1.48 -1.26 -4.69 118.94 113.63 2o4k s TRP 42 Ca 0.47 -0.56 0.08 0.00 -1.06 0.00 0.00 56.10 55.03 2o4k s TRP 42 Cb -0.10 -0.88 -0.05 0.00 -1.16 0.00 0.00 33.47 31.28 2o4k s TRP 42 CO 0.34 0.40 -0.15 -1.59 -4.06 0.00 0.00 176.95 171.89 2o4k s LYS 43 N -3.64 1.31 0.34 3.25 -2.85 -0.64 -4.90 119.74 112.61 2o4k s LYS 43 Ca 0.25 -1.55 -0.22 0.00 -1.00 0.00 0.00 55.97 53.45 2o4k s LYS 43 Cb -0.01 -1.16 -0.10 0.00 -2.06 0.00 0.00 37.83 34.51 2o4k s LYS 43 CO 0.09 0.20 0.88 -1.25 0.10 0.00 0.00 175.35 175.38 2o4k s PRO 44 N -3.45 4.35 -0.03 1.78 0.04 -1.26 -0.07 135.00 136.36 2o4k s PRO 44 Ca 0.21 1.11 -0.05 0.00 0.04 0.00 0.00 61.00 62.30 2o4k s PRO 44 Cb -0.02 -2.58 0.01 0.00 0.04 0.00 0.00 34.50 31.95 2o4k s PRO 44 CO 0.07 0.19 0.13 0.21 0.04 0.00 0.00 177.00 177.64 2o4k s LYS 45 N -2.49 0.27 -0.19 4.56 2.20 -1.00 -4.84 119.74 118.25 2o4k s LYS 45 Ca 0.53 -0.03 -0.07 0.00 -0.36 0.00 0.00 55.97 56.04 2o4k s LYS 45 Cb -0.14 0.12 -0.04 0.00 -1.51 0.00 0.00 37.83 36.26 2o4k s LYS 45 CO 0.19 -0.05 0.05 -1.64 -0.36 0.00 0.00 175.35 173.54 2o4k s MET 46 N -0.46 3.87 0.03 4.03 -1.94 -1.26 -0.83 119.30 122.74 2o4k s MET 46 Ca -0.05 -0.40 0.08 0.00 -1.71 0.00 0.00 55.69 53.61 2o4k s MET 46 Cb -0.04 -3.20 -0.03 0.00 2.01 0.00 0.00 34.83 33.58 2o4k s MET 46 CO 0.01 0.17 -0.23 0.96 -0.01 0.00 0.00 175.02 175.92 2o4k s ILE 47 N 0.64 1.84 -0.13 2.53 -4.36 -0.44 -4.96 121.20 116.32 2o4k s ILE 47 Ca 0.03 -1.22 0.00 0.00 -0.26 0.00 0.00 60.65 59.19 2o4k s ILE 47 Cb -0.13 -1.58 -0.01 0.00 1.25 0.00 0.00 42.46 41.98 2o4k s ILE 47 CO 0.02 0.31 -0.14 -0.83 0.24 0.00 0.00 174.94 174.53 2o4k s GLY 48 N -1.09 1.52 0.00 6.27 0.00 -1.26 -0.83 107.32 111.93 2o4k s GLY 48 Ca 0.09 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 43.91 2o4k s GLY 48 CO 0.01 -0.20 0.00 0.61 0.00 0.00 0.00 173.10 173.53 2o4k n GLY 49 N 3.54 6.57 0.33 0.20 0.00 -0.18 -4.99 105.19 110.67 2o4k n GLY 49 Ca -0.18 -1.78 0.04 0.00 0.00 0.00 0.00 46.02 44.09 2o4k n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2o4k h ILE 50 N 0.00 0.96 -0.57 -0.61 6.09 -2.03 -2.96 117.51 118.39 2o4k h ILE 50 Ca 0.00 -0.32 0.00 0.00 -1.37 0.00 0.00 64.86 63.17 2o4k h ILE 50 Cb 0.00 -0.05 0.00 0.00 0.47 0.00 0.00 36.82 37.24 2o4k h ILE 50 CO 0.00 0.17 0.00 0.61 -3.07 0.00 0.00 178.15 175.86 2o4k n GLY 51 N -1.33 2.74 0.00 8.18 0.00 -1.26 -5.06 105.19 108.46 2o4k n GLY 51 Ca 0.15 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 1.05 0.59 3.70 -0.02 0.00 -1.12 -5.08 105.19 104.31 2o4k n GLY 52 Ca 0.21 -2.18 -0.31 0.00 0.00 0.00 0.00 46.02 43.73 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 -0.56 3.08 0.12 1.61 0.40 -1.26 -1.01 117.98 120.36 2o4k s PHE 53 Ca 0.00 0.05 0.07 0.00 -0.60 0.00 0.00 56.93 56.45 2o4k s PHE 53 Cb 0.00 -1.62 -0.04 0.00 0.51 0.00 0.00 43.02 41.87 2o4k s PHE 53 CO 0.00 0.48 -0.17 0.96 0.70 0.00 0.00 175.22 177.19 2o4k s ILE 54 N -1.21 1.56 0.06 0.64 -4.36 -0.01 -4.96 121.20 112.93 2o4k s ILE 54 Ca 0.23 -1.66 -0.23 0.00 -0.26 0.00 0.00 60.65 58.73 2o4k s ILE 54 Cb -0.12 -1.56 -0.06 0.00 1.25 0.00 0.00 42.46 41.97 2o4k s ILE 54 CO 0.15 -0.24 0.70 -0.54 0.24 0.00 0.00 174.94 175.25 2o4k s LYS 55 N -2.32 4.43 0.18 0.37 1.02 -1.26 -1.33 119.74 120.84 2o4k s LYS 55 Ca 0.08 0.97 0.01 0.00 0.02 0.00 0.00 55.97 57.05 2o4k s LYS 55 Cb -0.08 -3.32 -0.05 0.00 -0.52 0.00 0.00 37.83 33.87 2o4k s LYS 55 CO 0.04 0.41 0.05 0.14 -0.92 0.00 0.00 175.35 175.07 2o4k s VAL 56 N -0.46 0.46 -0.24 3.17 -7.23 -0.01 -4.56 120.40 111.53 2o4k s VAL 56 Ca 0.35 -1.97 -0.10 0.00 -1.81 0.00 0.00 61.98 58.45 2o4k s VAL 56 Cb -0.20 -2.25 -0.05 0.00 0.56 0.00 0.00 36.38 34.44 2o4k s VAL 56 CO 0.22 -0.33 0.16 -0.13 -0.31 0.00 0.00 175.10 174.71 2o4k s ARG 57 N -3.99 4.06 -0.31 4.82 0.52 0.44 -2.37 118.95 122.12 2o4k s ARG 57 Ca 0.28 -0.28 -0.14 0.00 -0.52 0.00 0.00 55.73 55.08 2o4k s ARG 57 Cb 0.07 -3.53 -0.03 0.00 0.52 0.00 0.00 34.95 31.99 2o4k s ARG 57 CO 0.06 0.06 0.32 -1.14 0.02 0.00 0.00 175.30 174.62 2o4k s GLN 58 N 1.05 3.76 -0.16 3.54 0.74 0.91 -0.93 119.66 128.58 2o4k s GLN 58 Ca 0.07 -0.29 -0.04 0.00 0.05 0.00 0.00 55.36 55.15 2o4k s GLN 58 Cb -0.14 -3.73 -0.03 0.00 1.10 0.00 0.00 33.01 30.21 2o4k s GLN 58 CO 0.04 -0.37 -0.03 0.71 -0.55 0.00 0.00 175.29 175.09 2o4k s TYR 59 N 1.95 3.04 0.16 1.67 1.51 -0.56 -1.62 117.35 123.50 2o4k s TYR 59 Ca 0.11 -0.28 0.02 0.00 -1.01 0.00 0.00 57.07 55.91 2o4k s TYR 59 Cb -0.16 -1.97 -0.04 0.00 -0.11 0.00 0.00 41.96 39.69 2o4k s TYR 59 CO 0.11 -0.03 0.30 -0.51 -1.11 0.00 0.00 175.55 174.31 2o4k s ASP 60 N 0.37 6.35 -1.34 2.29 1.01 -1.26 -0.56 116.67 123.52 2o4k s ASP 60 Ca -0.04 0.20 -0.06 0.00 0.71 0.00 0.00 52.55 53.37 2o4k s ASP 60 Cb -0.14 -1.92 0.02 0.00 1.01 0.00 0.00 42.92 41.89 2o4k s ASP 60 CO 0.03 0.03 1.02 1.67 0.21 0.00 0.00 175.17 178.13 2o4k n GLN 61 N -0.60 -6.63 -3.48 8.23 7.27 -1.11 -4.91 117.38 116.14 2o4k n GLN 61 Ca -0.07 0.76 -0.37 0.00 0.07 0.00 0.00 57.00 57.38 2o4k n GLN 61 Cb 0.54 -5.69 -0.06 0.00 2.41 0.00 0.00 30.24 27.44 2o4k n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2o4k s ILE 62 N -3.39 5.18 -0.06 1.69 -1.09 0.01 -4.70 121.20 118.85 2o4k s ILE 62 Ca 0.34 0.75 -0.30 0.00 -2.23 0.00 0.00 60.65 59.21 2o4k s ILE 62 Cb -0.16 -3.70 -0.03 0.00 -1.58 0.00 0.00 42.46 37.00 2o4k s ILE 62 CO 0.76 0.46 1.10 -0.76 -1.23 0.00 0.00 174.94 175.27 2o4k s LEU 63 N -0.14 4.28 -0.14 2.97 2.01 -1.26 -1.34 118.68 125.05 2o4k s LEU 63 Ca 0.22 1.71 -0.09 0.00 0.01 0.00 0.00 54.13 55.98 2o4k s LEU 63 Cb -0.15 -3.56 0.05 0.00 0.01 0.00 0.00 46.19 42.54 2o4k s LEU 63 CO 0.09 -0.49 0.34 -0.51 1.01 0.00 0.00 176.35 176.79 2o4k s ILE 64 N 1.92 -0.02 -0.17 -0.59 2.07 -0.48 -4.46 121.20 119.46 2o4k s ILE 64 Ca 0.53 0.09 -0.07 0.00 -1.41 0.00 0.00 60.65 59.79 2o4k s ILE 64 Cb -0.22 -0.51 -0.04 0.00 0.13 0.00 0.00 42.46 41.82 2o4k s ILE 64 CO 0.22 0.04 0.08 -0.70 -1.91 0.00 0.00 174.94 172.66 2o4k s GLU 65 N 1.09 3.85 -0.19 3.50 2.12 0.05 -0.32 118.70 128.79 2o4k s GLU 65 Ca -0.07 -0.30 0.00 0.00 0.36 0.00 0.00 54.97 54.96 2o4k s GLU 65 Cb -0.08 -3.21 0.05 0.00 0.26 0.00 0.00 34.13 31.15 2o4k s GLU 65 CO -0.08 0.39 -0.07 0.42 -0.54 0.00 0.00 175.26 175.38 2o4k s ILE 66 N 0.05 1.37 -1.52 -3.70 1.01 0.65 -0.46 121.20 118.60 2o4k s ILE 66 Ca 0.06 -0.87 -0.08 0.00 0.00 0.00 0.00 60.65 59.76 2o4k s ILE 66 Cb -0.12 -1.53 0.07 0.00 0.01 0.00 0.00 42.46 40.89 2o4k s ILE 66 CO 0.00 0.10 0.64 0.00 0.00 0.00 0.00 174.94 175.69 2o4k n GLY 68 N -1.72 0.95 3.65 0.00 0.00 -1.26 -5.01 105.19 101.79 2o4k n GLY 68 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.45 3.30 0.14 1.61 4.02 0.09 -5.08 115.29 115.92 2o4k s HIS 69 Ca 0.00 0.17 -0.30 0.00 1.02 0.00 0.00 55.06 55.95 2o4k s HIS 69 Cb 0.00 -2.23 -0.06 0.00 -1.02 0.00 0.00 32.58 29.27 2o4k s HIS 69 CO 0.00 0.07 0.97 0.15 1.02 0.00 0.00 174.74 176.95 2o4k s LYS 70 N 0.93 4.72 0.10 1.40 1.02 -1.26 -0.25 119.74 126.39 2o4k s LYS 70 Ca 0.07 1.48 0.03 0.00 0.02 0.00 0.00 55.97 57.57 2o4k s LYS 70 Cb -0.13 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.79 2o4k s LYS 70 CO 0.03 0.25 -0.08 0.00 -0.92 0.00 0.00 175.35 174.63 2o4k s ALA 71 N -0.22 1.07 -0.16 5.17 0.00 0.56 -4.84 121.76 123.35 2o4k s ALA 71 Ca 0.46 -1.30 -0.04 0.00 0.00 0.00 0.00 51.96 51.08 2o4k s ALA 71 Cb -0.24 0.10 0.06 0.00 0.00 0.00 0.00 23.12 23.04 2o4k s ALA 71 CO 0.31 -0.15 0.13 0.42 0.00 0.00 0.00 175.76 176.46 2o4k s ILE 72 N -3.16 -0.17 0.00 0.00 1.01 -1.26 -1.39 121.20 116.23 2o4k s ILE 72 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.71 2o4k s ILE 72 Cb 0.02 -0.53 0.00 0.00 0.01 0.00 0.00 42.46 41.96 2o4k s ILE 72 CO -0.02 -0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.36 2o4k n GLY 73 N 5.30 1.59 3.69 6.18 0.00 -0.45 -4.77 105.19 116.73 2o4k n GLY 73 Ca -0.06 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.45 4.85 -0.13 2.61 2.01 -1.26 -0.81 115.64 120.46 2o4k s THR 74 Ca 0.00 1.91 0.02 0.00 0.31 0.00 0.00 61.69 63.92 2o4k s THR 74 Cb 0.00 -4.25 0.02 0.00 0.01 0.00 0.00 72.50 68.27 2o4k s THR 74 CO 0.00 0.07 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.15 2o4k s VAL 75 N 1.66 1.66 0.06 3.82 1.01 0.28 -4.51 120.40 124.37 2o4k s VAL 75 Ca 0.46 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.61 2o4k s VAL 75 Cb -0.19 -1.51 -0.06 0.00 0.00 0.00 0.00 36.38 34.63 2o4k s VAL 75 CO 0.19 0.47 0.41 -0.76 0.00 0.00 0.00 175.10 175.41 2o4k s LEU 76 N 1.08 4.38 -0.06 3.92 1.43 0.28 -1.49 118.68 128.21 2o4k s LEU 76 Ca -0.03 0.84 0.01 0.00 -1.03 0.00 0.00 54.13 53.92 2o4k s LEU 76 Cb -0.14 -2.89 0.02 0.00 0.03 0.00 0.00 46.19 43.20 2o4k s LEU 76 CO -0.04 0.21 -0.09 -0.69 0.23 0.00 0.00 176.35 175.97 2o4k s VAL 77 N -1.32 0.90 -0.47 -1.59 1.01 -0.10 -0.26 120.40 118.56 2o4k s VAL 77 Ca 0.31 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.97 2o4k s VAL 77 Cb -0.15 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.37 2o4k s VAL 77 CO 0.17 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.19 2o4k n GLY 78 N 4.06 -1.23 2.37 4.51 0.00 -0.86 -0.42 105.19 113.62 2o4k n GLY 78 Ca -0.22 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 44.68 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 2.82 -2.91 1.61 -0.04 -1.26 -3.42 135.00 131.80 2o4k n PRO 79 Ca 0.00 -1.72 -0.38 0.00 -0.04 0.00 0.00 63.50 61.36 2o4k n PRO 79 Cb 0.00 -2.53 -0.06 0.00 -0.04 0.00 0.00 33.50 30.87 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 2.45 4.31 0.52 0.52 -1.32 -1.26 -4.97 115.64 115.88 2o4k s THR 80 Ca 0.57 1.72 0.27 0.00 -1.21 0.00 0.00 61.69 63.04 2o4k s THR 80 Cb 0.17 -4.07 0.32 0.00 -1.51 0.00 0.00 72.50 67.40 2o4k s THR 80 CO -0.04 0.33 2.17 -0.65 -2.21 0.00 0.00 174.62 174.23 2o4k h PRO 81 N 3.74 0.00 -3.04 7.08 0.11 -1.98 -3.43 132.00 134.48 2o4k h PRO 81 Ca -0.47 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.53 2o4k h PRO 81 Cb 1.20 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.11 2o4k h PRO 81 CO 0.66 0.05 -0.27 0.54 -0.21 0.00 0.00 178.00 178.77 2o4k s VAL 82 N -4.54 0.06 0.07 3.15 0.11 -1.26 -5.07 120.40 112.91 2o4k s VAL 82 Ca -0.04 -0.48 -0.31 0.00 -2.93 0.00 0.00 61.98 58.22 2o4k s VAL 82 Cb 0.15 -0.63 -0.07 0.00 -1.53 0.00 0.00 36.38 34.30 2o4k s VAL 82 CO 0.58 -0.27 1.36 0.20 -3.33 0.00 0.00 175.10 173.64 2o4k s ASN 83 N -1.36 6.88 -0.12 3.54 0.01 -1.26 -4.64 114.94 117.97 2o4k s ASN 83 Ca -0.13 2.21 0.02 0.00 -0.71 0.00 0.00 52.86 54.25 2o4k s ASN 83 Cb -0.05 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.05 2o4k s ASN 83 CO 0.04 -0.64 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.17 2o4k s ILE 84 N 1.49 1.79 -0.41 0.60 1.01 0.63 -0.67 121.20 125.65 2o4k s ILE 84 Ca 0.63 -0.82 -0.17 0.00 0.00 0.00 0.00 60.65 60.30 2o4k s ILE 84 Cb -0.34 -1.60 0.02 0.00 0.01 0.00 0.00 42.46 40.55 2o4k s ILE 84 CO 0.29 0.50 0.41 -0.63 0.00 0.00 0.00 174.94 175.51 2o4k s ILE 85 N 0.89 5.12 0.54 2.92 -1.09 0.42 -1.20 121.20 128.80 2o4k s ILE 85 Ca -0.07 -0.36 0.02 0.00 -2.23 0.00 0.00 60.65 58.01 2o4k s ILE 85 Cb -0.15 -4.00 0.10 0.00 -1.58 0.00 0.00 42.46 36.83 2o4k s ILE 85 CO -0.02 -0.37 0.74 0.61 -1.23 0.00 0.00 174.94 174.68 2o4k n GLY 86 N 5.10 1.10 0.25 6.18 0.00 -1.18 -0.88 105.19 115.76 2o4k n GLY 86 Ca -0.08 -2.08 0.09 0.00 0.00 0.00 0.00 46.02 43.95 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 0.00 -0.77 1.61 3.08 -0.93 -0.76 114.38 116.62 2o4k h ARG 87 Ca -0.25 0.00 0.08 0.00 0.07 0.00 0.00 59.98 59.88 2o4k h ARG 87 Cb 0.98 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.98 2o4k h ARG 87 CO 0.29 0.10 0.50 -2.95 -1.07 0.00 0.00 179.97 176.85 2o4k h ASN 88 N 0.00 0.67 0.13 7.04 -1.07 -1.78 -1.44 115.58 119.13 2o4k h ASN 88 Ca -0.00 0.01 -0.31 0.00 0.07 0.00 0.00 56.30 56.07 2o4k h ASN 88 Cb 0.21 -0.13 -0.06 0.00 -2.07 0.00 0.00 38.32 36.27 2o4k h ASN 88 CO 0.01 0.41 -2.17 0.18 0.07 0.00 0.00 177.43 175.94 2o4k n LEU 89 N -4.49 0.21 -0.31 6.14 4.77 -0.57 -3.98 117.00 118.77 2o4k n LEU 89 Ca 0.12 0.10 0.03 0.00 -0.03 0.00 0.00 56.01 56.23 2o4k n LEU 89 Cb 0.28 0.37 0.22 0.00 -2.33 0.00 0.00 43.42 41.95 2o4k n LEU 89 CO 0.33 0.41 1.26 -0.07 -1.33 0.00 0.00 177.39 177.98 2o4k h LEU 90 N 0.00 0.95 -0.73 2.23 3.38 -0.99 -1.61 115.31 118.55 2o4k h LEU 90 Ca -0.42 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.50 2o4k h LEU 90 Cb 2.04 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 42.55 2o4k h LEU 90 CO 0.04 0.63 0.28 0.71 0.09 0.00 0.00 178.44 180.19 2o4k h THR 91 N 1.09 1.25 -0.24 0.22 1.35 -1.44 -1.46 112.91 113.69 2o4k h THR 91 Ca 0.38 -0.80 -0.00 0.00 -0.55 0.00 0.00 66.41 65.44 2o4k h THR 91 Cb 0.11 0.41 -0.01 0.00 -1.73 0.00 0.00 68.15 66.93 2o4k h THR 91 CO -0.13 0.32 0.14 1.56 -0.25 0.00 0.00 175.52 177.16 2o4k h GLN 92 N 1.05 0.31 -0.12 4.72 4.20 -1.44 -2.23 115.11 121.59 2o4k h GLN 92 Ca 0.24 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.93 2o4k h GLN 92 Cb 0.22 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.94 2o4k h GLN 92 CO -0.02 0.22 0.00 0.44 -0.67 0.00 0.00 178.83 178.80 2o4k n ILE 93 N -4.49 0.14 -1.44 2.54 -5.35 -0.87 -4.95 119.36 104.95 2o4k n ILE 93 Ca 0.01 -0.42 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 2o4k n ILE 93 Cb 0.08 0.78 0.00 0.00 -1.74 0.00 0.00 39.64 38.77 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 0.61 3.73 3.28 0.00 -0.84 -5.03 105.19 108.20 2o4k n GLY 94 Ca 0.17 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 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 0.33 0.93 -0.07 0.00 -4.23 -1.26 -4.71 115.64 106.62 2o4k s THR 96 Ca 0.55 -2.01 -0.11 0.00 -1.18 0.00 0.00 61.69 58.95 2o4k s THR 96 Cb -0.32 -1.87 -0.05 0.00 1.34 0.00 0.00 72.50 71.60 2o4k s THR 96 CO 0.34 -0.72 0.26 -0.76 -0.54 0.00 0.00 174.62 173.20 2o4k s LEU 97 N -3.14 4.42 -0.02 4.79 1.43 -1.26 -5.10 118.68 119.80 2o4k s LEU 97 Ca 0.17 0.68 0.01 0.00 -1.03 0.00 0.00 54.13 53.95 2o4k s LEU 97 Cb 0.04 -2.30 0.02 0.00 0.03 0.00 0.00 46.19 43.98 2o4k s LEU 97 CO -0.00 0.36 -0.02 0.20 0.23 0.00 0.00 176.35 177.12 2o4k s ASN 98 N -0.95 0.46 0.00 2.29 -0.87 -1.26 -5.29 114.94 109.32 2o4k s ASN 98 Ca 0.19 -0.05 0.00 0.00 -1.57 0.00 0.00 52.86 51.43 2o4k s ASN 98 Cb -0.14 -0.18 0.00 0.00 -0.02 0.00 0.00 41.25 40.91 2o4k s ASN 98 CO 0.08 -0.04 0.00 2.22 -2.57 0.00 0.00 177.10 176.79