#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4z n GLY -19 N 0.00 0.52 3.77 3.03 0.00 -1.26 -5.13 105.19 106.12 2k4z n GLY -19 Ca 0.00 0.45 -0.40 0.00 0.00 0.00 0.00 46.02 46.07 2k4z n GLY -19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k4z s SER -18 N 2.00 6.79 -0.08 1.61 1.04 -1.26 -4.95 113.70 118.84 2k4z s SER -18 Ca 0.00 2.47 -0.30 0.00 0.48 0.00 0.00 55.95 58.60 2k4z s SER -18 Cb 0.00 -2.63 -0.04 0.00 0.10 0.00 0.00 66.02 63.45 2k4z s SER -18 CO 0.00 -0.50 1.41 -0.55 0.98 0.00 0.00 173.24 174.58 2k4z s SER -17 N -0.81 6.85 0.13 7.02 0.15 -1.26 -5.00 113.70 120.78 2k4z s SER -17 Ca 0.51 1.96 0.09 0.00 0.70 0.00 0.00 55.95 59.21 2k4z s SER -17 Cb -0.35 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.38 2k4z s SER -17 CO 0.45 -0.79 -0.21 -1.00 1.20 0.00 0.00 173.24 172.90 2k4z s HIS -16 N 3.29 1.89 0.29 3.44 3.76 -1.26 -5.03 115.29 121.66 2k4z s HIS -16 Ca 0.62 -0.43 -0.03 0.00 -0.15 0.00 0.00 55.06 55.08 2k4z s HIS -16 Cb -0.28 -1.00 0.40 0.00 1.11 0.00 0.00 32.58 32.81 2k4z s HIS -16 CO 0.22 0.28 1.94 0.45 -0.85 0.00 0.00 174.74 176.78 2k4z h HIS -15 N 3.72 1.06 -3.96 1.40 -0.00 -2.07 -3.43 115.15 111.88 2k4z h HIS -15 Ca -0.45 0.01 -0.34 0.00 -0.00 0.00 0.00 60.37 59.58 2k4z h HIS -15 Cb 1.19 -0.35 -0.26 0.00 -0.00 0.00 0.00 27.41 27.98 2k4z h HIS -15 CO 0.64 0.70 -0.76 -1.01 -0.00 0.00 0.00 177.93 177.50 2k4z s HIS -14 N -5.86 0.68 -0.00 2.45 3.76 -1.26 -5.12 115.29 109.93 2k4z s HIS -14 Ca -0.12 -0.24 -0.25 0.00 -0.15 0.00 0.00 55.06 54.31 2k4z s HIS -14 Cb 0.17 -0.42 -0.04 0.00 1.11 0.00 0.00 32.58 33.40 2k4z s HIS -14 CO 0.80 -0.02 0.76 -1.01 -0.85 0.00 0.00 174.74 174.42 2k4z s HIS -13 N -0.54 3.66 0.56 1.40 3.76 -1.26 -4.95 115.29 117.92 2k4z s HIS -13 Ca -0.01 1.41 0.26 0.00 -0.15 0.00 0.00 55.06 56.58 2k4z s HIS -13 Cb -0.05 -2.85 1.51 0.00 1.11 0.00 0.00 32.58 32.31 2k4z s HIS -13 CO 0.00 0.17 2.05 1.25 -0.85 0.00 0.00 174.74 177.36 2k4z h HIS -12 N 6.23 0.00 -3.33 1.40 2.76 -2.00 -3.37 115.15 116.84 2k4z h HIS -12 Ca -0.42 0.00 -0.26 0.00 -2.20 0.00 0.00 60.37 57.48 2k4z h HIS -12 Cb 1.20 0.00 -0.33 0.00 1.55 0.00 0.00 27.41 29.84 2k4z h HIS -12 CO 0.65 0.00 -0.64 -1.01 -1.30 0.00 0.00 177.93 175.63 2k4z s HIS -11 N -4.80 -0.10 0.25 5.26 0.09 -1.26 -5.14 115.29 109.59 2k4z s HIS -11 Ca -0.05 0.38 -0.30 0.00 -0.00 0.00 0.00 55.06 55.10 2k4z s HIS -11 Cb 0.17 -0.14 -0.09 0.00 -0.00 0.00 0.00 32.58 32.52 2k4z s HIS -11 CO 0.62 -0.15 1.07 -1.12 -0.00 0.00 0.00 174.74 175.16 2k4z s SER -10 N 1.17 7.35 0.58 1.40 0.01 -1.26 -4.92 113.70 118.04 2k4z s SER -10 Ca -0.09 2.17 0.39 0.00 1.31 0.00 0.00 55.95 59.73 2k4z s SER -10 Cb -0.12 -2.62 1.96 0.00 0.21 0.00 0.00 66.02 65.45 2k4z s SER -10 CO -0.05 -0.09 2.17 0.28 0.41 0.00 0.00 173.24 175.96 2k4z h SER -9 N 4.09 0.00 0.88 2.44 0.02 -1.97 -0.91 113.55 118.11 2k4z h SER -9 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2k4z h SER -9 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2k4z h SER -9 CO 0.68 0.00 0.00 1.23 -1.14 0.00 0.00 176.83 177.60 2k4z h GLY -8 N 0.65 0.00 -6.22 -3.77 0.00 -1.95 -3.27 103.07 88.51 2k4z h GLY -8 Ca 0.00 0.00 -0.76 0.00 0.00 0.00 0.00 47.33 46.57 2k4z h GLY -8 CO 0.00 0.00 1.95 -0.10 0.00 0.00 0.00 176.54 178.39 2k4z n LEU -7 N -2.63 7.14 -4.49 3.11 7.94 -0.35 -4.96 117.00 122.76 2k4z n LEU -7 Ca 0.01 -4.84 -0.42 0.00 -1.11 0.00 0.00 56.01 49.65 2k4z n LEU -7 Cb 0.27 -1.40 -0.10 0.00 0.53 0.00 0.00 43.42 42.73 2k4z n LEU -7 CO 0.23 1.69 0.00 0.54 -1.11 0.00 0.00 177.39 178.74 2k4z s VAL -6 N -0.80 5.19 -1.73 1.96 0.11 -1.24 -4.92 120.40 118.97 2k4z s VAL -6 Ca 0.43 -0.40 0.31 0.00 -2.93 0.00 0.00 61.98 59.39 2k4z s VAL -6 Cb 0.13 -3.93 0.73 0.00 -1.53 0.00 0.00 36.38 31.78 2k4z s VAL -6 CO -0.02 -0.28 2.15 -0.81 -3.33 0.00 0.00 175.10 172.80 2k4z n PRO -5 N 5.34 0.73 0.22 1.54 -0.04 -1.26 -3.24 135.00 138.29 2k4z n PRO -5 Ca -0.10 -0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.49 2k4z n PRO -5 Cb 0.48 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.69 2k4z n PRO -5 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k4z h ARG -4 N 0.00 0.00 0.00 0.54 3.08 -2.00 -3.48 114.38 112.52 2k4z h ARG -4 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2k4z h ARG -4 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2k4z h ARG -4 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 2k4z n GLY -3 N 0.95 2.00 3.78 0.04 0.00 -1.20 -4.91 105.19 105.85 2k4z n GLY -3 Ca 0.04 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 2k4z n GLY -3 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k4z n SER -2 N 6.38 -1.17 -4.57 1.61 7.64 -1.26 -4.84 113.62 117.41 2k4z n SER -2 Ca 0.00 -0.87 -0.35 0.00 1.01 0.00 0.00 58.87 58.67 2k4z n SER -2 Cb 0.00 -3.79 -0.04 0.00 -1.01 0.00 0.00 64.21 59.38 2k4z n SER -2 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2k4z s HIS -1 N -3.72 2.28 0.20 1.43 3.76 -1.26 -4.94 115.29 113.03 2k4z s HIS -1 Ca 0.05 -0.36 -0.18 0.00 -0.15 0.00 0.00 55.06 54.42 2k4z s HIS -1 Cb -0.02 -4.35 -0.08 0.00 1.11 0.00 0.00 32.58 29.23 2k4z s HIS -1 CO 0.83 -1.60 0.66 1.41 -0.85 0.00 0.00 174.74 175.19 2k4z s MET 0 N 5.63 4.15 -0.20 1.40 0.00 -1.26 -5.05 119.30 123.98 2k4z s MET 0 Ca 0.61 0.74 -0.01 0.00 0.00 0.00 0.00 55.69 57.02 2k4z s MET 0 Cb -0.00 -2.89 0.01 0.00 0.00 0.00 0.00 34.83 31.94 2k4z s MET 0 CO 0.05 0.42 -0.12 -1.64 0.00 0.00 0.00 175.02 173.74 2k4z s MET 1 N -1.97 3.19 -0.20 4.11 -1.94 -1.26 -4.99 119.30 116.24 2k4z s MET 1 Ca 0.41 -0.73 -0.03 0.00 -1.71 0.00 0.00 55.69 53.63 2k4z s MET 1 Cb -0.16 -2.79 0.06 0.00 2.01 0.00 0.00 34.83 33.95 2k4z s MET 1 CO 0.20 -0.20 0.04 0.12 -0.01 0.00 0.00 175.02 175.18 2k4z s PHE 2 N 1.38 0.94 -0.97 -0.03 5.36 -1.26 -0.85 117.98 122.55 2k4z s PHE 2 Ca 0.05 -0.81 -0.18 0.00 -0.96 0.00 0.00 56.93 55.03 2k4z s PHE 2 Cb -0.14 -1.00 0.14 0.00 -0.34 0.00 0.00 43.02 41.69 2k4z s PHE 2 CO -0.08 -0.61 1.15 0.15 -1.46 0.00 0.00 175.22 174.37 2k4z s LYS 3 N 1.89 3.68 -0.55 10.12 1.02 0.80 -4.95 119.74 131.75 2k4z s LYS 3 Ca -0.00 -1.94 -0.25 0.00 0.02 0.00 0.00 55.97 53.79 2k4z s LYS 3 Cb -0.17 -4.91 0.04 0.00 -0.52 0.00 0.00 37.83 32.27 2k4z s LYS 3 CO -0.09 -1.74 1.01 -1.17 -0.92 0.00 0.00 175.35 172.45 2k4z s LEU 4 N 2.33 3.91 0.52 3.17 0.20 -1.26 0.35 118.68 127.90 2k4z s LEU 4 Ca 0.33 -0.19 -0.22 0.00 0.69 0.00 0.00 54.13 54.74 2k4z s LEU 4 Cb -0.05 -2.95 -0.06 0.00 -0.43 0.00 0.00 46.19 42.71 2k4z s LEU 4 CO -0.08 -1.29 1.26 0.42 -0.29 0.00 0.00 176.35 176.37 2k4z s THR 5 N 4.22 2.57 0.26 3.68 -4.23 -1.06 -4.72 115.64 116.35 2k4z s THR 5 Ca 0.34 0.42 -0.02 0.00 -1.18 0.00 0.00 61.69 61.25 2k4z s THR 5 Cb -0.11 -3.21 0.23 0.00 1.34 0.00 0.00 72.50 70.76 2k4z s THR 5 CO 0.21 -0.02 1.80 1.55 -0.54 0.00 0.00 174.62 177.63 2k4z h PRO 6 N 1.61 0.76 0.00 3.99 0.13 -1.95 0.70 132.00 137.24 2k4z h PRO 6 Ca -0.50 -0.05 -0.21 0.00 -0.87 0.00 0.00 66.00 64.37 2k4z h PRO 6 Cb 1.28 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 2k4z h PRO 6 CO 0.58 0.50 -1.02 0.00 -0.23 0.00 0.00 178.00 177.83 2k4z h ALA 7 N 1.50 0.40 0.00 -0.56 0.00 -1.97 -3.04 119.26 115.59 2k4z h ALA 7 Ca 0.43 -0.92 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 2k4z h ALA 7 Cb 0.46 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2k4z h ALA 7 CO -0.28 1.23 -0.57 0.00 0.00 0.00 0.00 179.25 179.63 2k4z h ALA 8 N 1.03 0.96 -0.78 0.00 0.00 -1.69 -2.55 119.26 116.23 2k4z h ALA 8 Ca -0.03 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 2k4z h ALA 8 Cb 1.76 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.42 2k4z h ALA 8 CO 0.12 0.71 0.47 0.00 0.00 0.00 0.00 179.25 180.56 2k4z h ALA 9 N 1.43 0.99 -0.33 0.00 0.00 -0.77 0.15 119.26 120.73 2k4z h ALA 9 Ca -0.01 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2k4z h ALA 9 Cb 1.07 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2k4z h ALA 9 CO 0.07 0.46 -0.15 1.49 0.00 0.00 0.00 179.25 181.12 2k4z h GLU 10 N 1.07 0.59 -0.35 0.00 4.81 -1.47 -0.11 114.58 119.12 2k4z h GLU 10 Ca 0.28 -0.19 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 2k4z h GLU 10 Cb -0.05 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2k4z h GLU 10 CO -0.05 0.72 0.04 0.37 -0.73 0.00 0.00 179.01 179.36 2k4z h GLN 11 N 0.53 0.60 -0.65 1.92 5.75 -0.88 0.10 115.11 122.47 2k4z h GLN 11 Ca 0.09 -0.17 -0.05 0.00 -0.15 0.00 0.00 58.65 58.37 2k4z h GLN 11 Cb 0.57 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.03 2k4z h GLN 11 CO 0.04 0.68 0.21 0.28 -2.65 0.00 0.00 178.83 177.40 2k4z h VAL 12 N 0.43 1.25 -0.89 2.39 2.07 -0.56 -0.40 116.25 120.54 2k4z h VAL 12 Ca 0.11 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.79 2k4z h VAL 12 Cb 0.39 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 2k4z h VAL 12 CO 0.01 0.33 0.57 0.25 0.02 0.00 0.00 177.57 178.75 2k4z h LEU 13 N 0.94 1.03 -0.66 2.57 5.85 -0.73 -0.97 115.31 123.35 2k4z h LEU 13 Ca 0.21 -0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.79 2k4z h LEU 13 Cb 0.28 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2k4z h LEU 13 CO -0.01 0.76 -0.12 0.50 -0.34 0.00 0.00 178.44 179.23 2k4z h LYS 14 N 1.21 0.93 -0.76 1.25 3.64 -0.44 0.11 116.57 122.50 2k4z h LYS 14 Ca 0.32 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2k4z h LYS 14 Cb -0.12 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.60 2k4z h LYS 14 CO -0.07 0.99 0.49 0.00 -2.27 0.00 0.00 179.45 178.59 2k4z h ALA 15 N 1.03 0.97 -0.13 5.00 0.00 -0.39 0.13 119.26 125.87 2k4z h ALA 15 Ca 0.13 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 2k4z h ALA 15 Cb 0.65 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2k4z h ALA 15 CO 0.05 0.40 -0.45 0.00 0.00 0.00 0.00 179.25 179.25 2k4z h ALA 16 N 1.27 1.00 -0.08 0.00 0.00 -0.98 -2.99 119.26 117.48 2k4z h ALA 16 Ca 0.28 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 2k4z h ALA 16 Cb -0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2k4z h ALA 16 CO -0.06 0.63 -0.44 -0.22 0.00 0.00 0.00 179.25 179.16 2k4z h LYS 17 N 0.25 0.18 -0.00 0.00 1.63 0.02 -2.38 116.57 116.27 2k4z h LYS 17 Ca 0.02 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 2k4z h LYS 17 Cb 0.90 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.53 2k4z h LYS 17 CO 0.07 0.59 0.00 1.04 -3.45 0.00 0.00 179.45 177.70 2k4z n GLN 18 N -4.00 1.00 -2.42 1.90 6.02 0.36 -4.82 117.38 115.42 2k4z n GLN 18 Ca -0.02 -0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.93 2k4z n GLN 18 Cb 0.49 -1.17 -0.01 0.00 1.02 0.00 0.00 30.24 30.56 2k4z n GLN 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k4z n GLY 19 N 0.68 3.84 0.80 1.08 0.00 -0.90 -5.03 105.19 105.66 2k4z n GLY 19 Ca 0.08 -1.73 0.10 0.00 0.00 0.00 0.00 46.02 44.47 2k4z n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4z n GLY 20 N 0.11 0.93 0.97 -0.02 0.00 -1.26 -4.18 105.19 101.74 2k4z n GLY 20 Ca 0.01 -0.53 0.03 0.00 0.00 0.00 0.00 46.02 45.53 2k4z n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k4z n THR 21 N 0.79 0.97 -0.06 2.61 -2.24 -1.26 -4.21 114.28 110.88 2k4z n THR 21 Ca 0.17 -0.51 -0.09 0.00 -2.27 0.00 0.00 64.05 61.35 2k4z n THR 21 Cb 0.42 -0.34 -0.02 0.00 -2.10 0.00 0.00 70.33 68.30 2k4z n THR 21 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2k4z h GLU 22 N 1.54 0.24 -1.01 -0.78 4.81 -1.72 -2.02 114.58 115.65 2k4z h GLU 22 Ca 0.00 -0.01 -0.29 0.00 -0.13 0.00 0.00 59.36 58.92 2k4z h GLU 22 Cb 0.98 -0.05 -0.17 0.00 0.63 0.00 0.00 28.75 30.13 2k4z h GLU 22 CO 0.16 0.16 0.37 0.41 -0.73 0.00 0.00 179.01 179.38 2k4z n GLY 23 N -1.17 3.42 3.15 1.92 0.00 -1.26 -4.84 105.19 106.41 2k4z n GLY 23 Ca -0.02 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.13 2k4z n GLY 23 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2k4z s MET 24 N -1.85 1.45 0.55 1.61 0.00 -0.76 -5.03 119.30 115.28 2k4z s MET 24 Ca 0.32 -0.60 -0.10 0.00 0.00 0.00 0.00 55.69 55.32 2k4z s MET 24 Cb 0.27 -1.36 -0.04 0.00 0.00 0.00 0.00 34.83 33.69 2k4z s MET 24 CO 0.06 0.33 0.93 0.00 0.00 0.00 0.00 175.02 176.34 2k4z s LEU 26 N -4.87 4.22 -0.33 0.00 2.96 -1.17 -1.18 118.68 118.31 2k4z s LEU 26 Ca 0.53 0.14 -0.15 0.00 -0.22 0.00 0.00 54.13 54.43 2k4z s LEU 26 Cb -0.11 -2.91 -0.02 0.00 0.50 0.00 0.00 46.19 43.66 2k4z s LEU 26 CO 0.48 -0.72 0.33 -0.60 -1.32 0.00 0.00 176.35 174.52 2k4z s ARG 27 N 2.98 3.60 0.14 1.98 6.06 0.15 -0.16 118.95 133.70 2k4z s ARG 27 Ca 0.28 -0.42 -0.08 0.00 -2.50 0.00 0.00 55.73 53.00 2k4z s ARG 27 Cb -0.13 -3.79 -0.06 0.00 0.06 0.00 0.00 34.95 31.02 2k4z s ARG 27 CO 0.17 -0.48 0.44 -0.51 -2.50 0.00 0.00 175.30 172.42 2k4z s LEU 28 N 1.96 4.27 0.07 -0.88 1.43 -1.22 -1.70 118.68 122.61 2k4z s LEU 28 Ca 0.11 0.77 -0.01 0.00 -1.03 0.00 0.00 54.13 53.96 2k4z s LEU 28 Cb -0.17 -3.29 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 2k4z s LEU 28 CO 0.11 0.06 0.00 0.00 0.23 0.00 0.00 176.35 176.76 2k4z s ALA 29 N -1.60 0.55 -0.14 4.21 0.00 0.53 -4.62 121.76 120.68 2k4z s ALA 29 Ca 0.40 -1.24 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 2k4z s ALA 29 Cb -0.13 0.41 0.05 0.00 0.00 0.00 0.00 23.12 23.45 2k4z s ALA 29 CO 0.21 -0.40 0.03 0.00 0.00 0.00 0.00 175.76 175.60 2k4z s ALA 30 N -3.95 0.82 -0.52 0.00 0.00 -1.26 -0.31 121.76 116.54 2k4z s ALA 30 Ca 0.11 -0.42 -0.13 0.00 0.00 0.00 0.00 51.96 51.52 2k4z s ALA 30 Cb 0.08 -0.99 0.13 0.00 0.00 0.00 0.00 23.12 22.34 2k4z s ALA 30 CO -0.07 -0.88 0.43 0.20 0.00 0.00 0.00 175.76 175.44 2k4z s GLY 31 N 1.93 2.08 -0.18 0.00 0.00 0.73 -4.94 107.32 106.94 2k4z s GLY 31 Ca 0.02 -2.56 -0.29 0.00 0.00 0.00 0.00 44.72 41.88 2k4z s GLY 31 CO -0.07 1.16 1.19 1.09 0.00 0.00 0.00 173.10 176.47 2k4z s ARG 32 N 1.44 4.25 0.58 2.90 1.70 -1.26 0.06 118.95 128.62 2k4z s ARG 32 Ca 0.05 1.57 -0.16 0.00 -0.47 0.00 0.00 55.73 56.72 2k4z s ARG 32 Cb -0.28 -3.72 -0.04 0.00 -0.57 0.00 0.00 34.95 30.34 2k4z s ARG 32 CO 0.01 -0.67 1.05 -0.80 -1.08 0.00 0.00 175.30 173.81 2k4z s ASN 33 N 1.72 5.87 0.61 -2.89 0.01 0.58 -4.93 114.94 115.91 2k4z s ASN 33 Ca 0.51 1.80 0.31 0.00 -0.71 0.00 0.00 52.86 54.77 2k4z s ASN 33 Cb -0.20 -2.53 1.73 0.00 0.41 0.00 0.00 41.25 40.66 2k4z s ASN 33 CO 0.12 -1.11 2.09 -0.65 -1.51 0.00 0.00 177.10 176.04 2k4z h PRO 34 N 0.51 0.00 -0.00 -0.60 0.11 -1.96 0.17 132.00 130.23 2k4z h PRO 34 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2k4z h PRO 34 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2k4z h PRO 34 CO 0.58 0.00 -0.00 -0.25 -0.21 0.00 0.00 178.00 178.11 2k4z n ASP 35 N -3.56 0.49 0.00 -2.05 8.00 -1.26 -4.88 116.55 113.29 2k4z n ASP 35 Ca 0.01 -1.13 0.00 0.00 0.71 0.00 0.00 54.79 54.38 2k4z n ASP 35 Cb 0.33 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 2k4z n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k4z n GLY 36 N 1.07 2.15 3.62 0.44 0.00 0.60 -5.02 105.19 108.04 2k4z n GLY 36 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 2k4z n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k4z s SER 37 N -1.50 6.27 -0.28 1.61 0.01 -1.25 -4.71 113.70 113.85 2k4z s SER 37 Ca 0.00 1.54 -0.21 0.00 1.31 0.00 0.00 55.95 58.59 2k4z s SER 37 Cb 0.00 -2.53 -0.01 0.00 0.21 0.00 0.00 66.02 63.69 2k4z s SER 37 CO 0.00 -1.36 0.68 -0.63 0.41 0.00 0.00 173.24 172.34 2k4z s ILE 38 N 5.57 4.92 -0.50 1.44 1.01 -1.26 -0.30 121.20 132.07 2k4z s ILE 38 Ca 0.73 1.10 -0.22 0.00 0.00 0.00 0.00 60.65 62.27 2k4z s ILE 38 Cb -0.24 -4.01 0.04 0.00 0.01 0.00 0.00 42.46 38.26 2k4z s ILE 38 CO 0.30 -0.09 0.75 -1.81 0.00 0.00 0.00 174.94 174.09 2k4z s ASP 39 N 1.54 6.31 -0.04 3.58 1.01 0.11 -4.92 116.67 124.26 2k4z s ASP 39 Ca 0.28 -0.51 -0.30 0.00 0.71 0.00 0.00 52.55 52.73 2k4z s ASP 39 Cb -0.15 -2.35 -0.03 0.00 1.01 0.00 0.00 42.92 41.39 2k4z s ASP 39 CO 0.10 -0.97 1.16 -0.31 0.21 0.00 0.00 175.17 175.35 2k4z s TYR 40 N 3.16 3.31 -0.05 4.23 2.02 -1.26 -0.19 117.35 128.57 2k4z s TYR 40 Ca 0.23 1.32 0.06 0.00 -0.37 0.00 0.00 57.07 58.31 2k4z s TYR 40 Cb -0.15 -3.37 -0.01 0.00 -0.40 0.00 0.00 41.96 38.03 2k4z s TYR 40 CO 0.17 -1.06 -0.23 1.03 -1.57 0.00 0.00 175.55 173.89 2k4z s ARG 41 N 1.88 2.25 -0.08 -0.62 0.52 0.57 -4.95 118.95 118.53 2k4z s ARG 41 Ca 0.55 -0.83 0.04 0.00 -0.52 0.00 0.00 55.73 54.97 2k4z s ARG 41 Cb -0.24 -1.97 -0.02 0.00 0.52 0.00 0.00 34.95 33.24 2k4z s ARG 41 CO 0.23 0.38 -0.19 1.41 0.02 0.00 0.00 175.30 177.16 2k4z s MET 42 N -0.21 2.77 0.33 3.54 -2.45 -1.26 -0.35 119.30 121.67 2k4z s MET 42 Ca -0.01 -0.79 -0.14 0.00 -1.25 0.00 0.00 55.69 53.50 2k4z s MET 42 Cb -0.12 -2.35 0.03 0.00 1.25 0.00 0.00 34.83 33.64 2k4z s MET 42 CO 0.02 0.40 0.67 0.20 1.05 0.00 0.00 175.02 177.37 2k4z s GLY 43 N -0.18 0.46 0.01 2.11 0.00 -0.69 -5.00 107.32 104.03 2k4z s GLY 43 Ca -0.02 -0.78 0.04 0.00 0.00 0.00 0.00 44.72 43.96 2k4z s GLY 43 CO 0.03 -0.42 -0.08 -1.36 0.00 0.00 0.00 173.10 171.27 2k4z s PHE 44 N -3.11 2.84 0.27 1.90 0.40 -1.26 0.33 117.98 119.34 2k4z s PHE 44 Ca 0.18 -0.07 -0.08 0.00 -0.60 0.00 0.00 56.93 56.36 2k4z s PHE 44 Cb -0.04 -1.58 0.03 0.00 0.51 0.00 0.00 43.02 41.94 2k4z s PHE 44 CO 0.11 0.35 0.49 -3.47 0.70 0.00 0.00 175.22 173.41 2k4z n ASP 45 N 1.54 -1.41 -4.67 1.36 2.03 -0.32 -4.78 116.55 110.31 2k4z n ASP 45 Ca -0.15 -2.18 -0.30 0.00 0.52 0.00 0.00 54.79 52.68 2k4z n ASP 45 Cb 0.52 2.41 0.16 0.00 -0.72 0.00 0.00 41.12 43.49 2k4z n ASP 45 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2k4z s ASP 46 N -2.47 2.91 -0.28 1.67 1.01 -1.26 -2.48 116.67 115.76 2k4z s ASP 46 Ca 0.14 1.58 -0.06 0.00 0.71 0.00 0.00 52.55 54.92 2k4z s ASP 46 Cb -0.03 -2.23 0.01 0.00 1.01 0.00 0.00 42.92 41.68 2k4z s ASP 46 CO 0.10 -3.01 0.05 -0.22 0.21 0.00 0.00 175.17 172.30 2k4z s LEU 47 N -6.46 3.68 -0.03 1.23 0.20 -1.26 -4.73 118.68 111.30 2k4z s LEU 47 Ca 0.65 -0.73 0.05 0.00 0.69 0.00 0.00 54.13 54.79 2k4z s LEU 47 Cb -0.20 -1.83 -0.03 0.00 -0.43 0.00 0.00 46.19 43.70 2k4z s LEU 47 CO 0.58 -0.17 -0.17 -0.89 -0.29 0.00 0.00 176.35 175.41 2k4z s THR 48 N 1.46 2.80 -1.59 3.68 2.01 -1.26 -4.98 115.64 117.76 2k4z s THR 48 Ca 0.02 -0.88 0.28 0.00 0.31 0.00 0.00 61.69 61.42 2k4z s THR 48 Cb -0.17 -2.08 0.58 0.00 0.01 0.00 0.00 72.50 70.84 2k4z s THR 48 CO 0.01 0.55 1.98 -0.62 -0.69 0.00 0.00 174.62 175.85 2k4z n GLU 49 N 2.22 0.54 0.10 4.92 1.02 -1.26 -2.66 120.64 125.53 2k4z n GLU 49 Ca -0.17 0.02 0.12 0.00 -0.02 0.00 0.00 57.16 57.11 2k4z n GLU 49 Cb 0.52 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.49 2k4z n GLU 49 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2k4z h ASP 50 N 0.00 0.00 -3.72 1.62 5.19 -2.01 -3.44 116.42 114.07 2k4z h ASP 50 Ca 0.00 -0.05 -0.48 0.00 -0.62 0.00 0.00 57.03 55.87 2k4z h ASP 50 Cb 0.19 0.00 0.05 0.00 0.18 0.00 0.00 39.33 39.75 2k4z h ASP 50 CO 0.00 0.03 0.18 -1.81 -3.12 0.00 0.00 179.24 174.52 2k4z s ASP 51 N -5.17 5.87 -0.41 6.45 1.01 -1.09 -4.99 116.67 118.34 2k4z s ASP 51 Ca 0.01 0.86 -0.28 0.00 0.71 0.00 0.00 52.55 53.86 2k4z s ASP 51 Cb 0.10 -1.97 -0.00 0.00 1.01 0.00 0.00 42.92 42.06 2k4z s ASP 51 CO 0.77 -0.89 1.57 -0.63 0.21 0.00 0.00 175.17 176.20 2k4z s ILE 52 N -2.94 3.71 -0.57 0.77 1.01 -1.10 -4.92 121.20 117.17 2k4z s ILE 52 Ca 0.52 0.70 -0.22 0.00 0.00 0.00 0.00 60.65 61.64 2k4z s ILE 52 Cb -0.10 -4.02 0.06 0.00 0.01 0.00 0.00 42.46 38.40 2k4z s ILE 52 CO 0.46 -0.70 0.85 -0.13 0.00 0.00 0.00 174.94 175.43 2k4z s ARG 53 N 5.38 3.20 -0.47 2.79 1.81 -1.26 -2.51 118.95 127.89 2k4z s ARG 53 Ca 0.67 -0.64 -0.11 0.00 -1.72 0.00 0.00 55.73 53.93 2k4z s ARG 53 Cb -0.16 -4.13 0.11 0.00 -0.45 0.00 0.00 34.95 30.32 2k4z s ARG 53 CO 0.31 -1.52 0.36 -0.51 -0.68 0.00 0.00 175.30 173.27 2k4z s LEU 54 N 3.58 5.68 -0.67 2.53 1.43 0.86 -4.93 118.68 127.16 2k4z s LEU 54 Ca 0.23 -1.79 -0.20 0.00 -1.03 0.00 0.00 54.13 51.34 2k4z s LEU 54 Cb -0.16 -2.05 0.10 0.00 0.03 0.00 0.00 46.19 44.11 2k4z s LEU 54 CO 0.14 -0.69 0.86 -0.89 0.23 0.00 0.00 176.35 176.00 2k4z s THR 55 N 1.43 4.63 -0.30 5.49 2.01 -1.26 0.51 115.64 128.14 2k4z s THR 55 Ca 0.05 -0.85 -0.04 0.00 0.31 0.00 0.00 61.69 61.16 2k4z s THR 55 Cb -0.26 -4.60 0.04 0.00 0.01 0.00 0.00 72.50 67.68 2k4z s THR 55 CO 0.01 -1.30 0.02 -0.94 -0.69 0.00 0.00 174.62 171.72 2k4z s SER 56 N 3.61 4.91 0.00 3.53 1.04 -0.64 -4.81 113.70 121.34 2k4z s SER 56 Ca 0.18 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.55 2k4z s SER 56 Cb -0.19 -1.77 0.00 0.00 0.10 0.00 0.00 66.02 64.17 2k4z s SER 56 CO 0.06 -0.24 0.00 1.21 0.98 0.00 0.00 173.24 175.25 2k4z n GLU 57 N 4.72 0.00 0.00 4.02 4.07 -1.26 -2.38 120.64 129.80 2k4z n GLU 57 Ca -0.14 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.96 2k4z n GLU 57 Cb 0.45 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.83 2k4z n GLU 57 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k4z n GLY 58 N 0.00 0.00 3.78 8.31 0.00 -1.26 -5.12 105.19 110.90 2k4z n GLY 58 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2k4z n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k4z s VAL 59 N -0.55 4.98 -0.17 1.61 1.01 -1.00 -5.06 120.40 121.22 2k4z s VAL 59 Ca 0.00 1.05 -0.14 0.00 0.00 0.00 0.00 61.98 62.89 2k4z s VAL 59 Cb 0.00 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 2k4z s VAL 59 CO 0.00 0.47 0.29 -0.70 0.00 0.00 0.00 175.10 175.15 2k4z s GLU 60 N -0.43 4.24 -0.09 2.72 2.12 -1.26 -1.62 118.70 124.38 2k4z s GLU 60 Ca 0.27 0.07 -0.00 0.00 0.36 0.00 0.00 54.97 55.67 2k4z s GLU 60 Cb -0.17 -3.44 -0.03 0.00 0.26 0.00 0.00 34.13 30.75 2k4z s GLU 60 CO 0.15 0.21 -0.06 0.42 -0.54 0.00 0.00 175.26 175.44 2k4z s ILE 61 N 0.57 3.76 -0.25 -3.70 -1.09 0.18 -3.07 121.20 117.59 2k4z s ILE 61 Ca 0.16 -0.45 0.03 0.00 -2.23 0.00 0.00 60.65 58.16 2k4z s ILE 61 Cb -0.13 -2.56 0.06 0.00 -1.58 0.00 0.00 42.46 38.25 2k4z s ILE 61 CO 0.04 0.58 -0.12 0.68 -1.23 0.00 0.00 174.94 174.89 2k4z s VAL 62 N -0.58 2.17 -0.04 2.92 -7.23 0.77 -0.10 120.40 118.31 2k4z s VAL 62 Ca 0.09 -1.57 0.07 0.00 -1.81 0.00 0.00 61.98 58.76 2k4z s VAL 62 Cb -0.12 -2.24 -0.02 0.00 0.56 0.00 0.00 36.38 34.56 2k4z s VAL 62 CO 0.02 0.02 -0.25 -0.63 -0.31 0.00 0.00 175.10 173.96 2k4z s ILE 63 N 1.12 2.14 0.26 -0.62 1.01 -1.05 -3.45 121.20 120.61 2k4z s ILE 63 Ca -0.08 -1.06 -0.09 0.00 0.00 0.00 0.00 60.65 59.42 2k4z s ILE 63 Cb -0.19 -1.76 -0.07 0.00 0.01 0.00 0.00 42.46 40.45 2k4z s ILE 63 CO -0.06 0.58 0.58 0.00 0.00 0.00 0.00 174.94 176.04 2k4z s ALA 64 N -0.40 3.54 0.54 9.38 0.00 -1.26 -2.71 121.76 130.85 2k4z s ALA 64 Ca 0.04 -0.29 0.29 0.00 0.00 0.00 0.00 51.96 52.00 2k4z s ALA 64 Cb -0.12 -2.46 1.45 0.00 0.00 0.00 0.00 23.12 21.99 2k4z s ALA 64 CO 0.01 0.41 1.93 -1.00 0.00 0.00 0.00 175.76 177.11 2k4z h PRO 65 N 2.26 0.00 0.00 0.00 0.13 -1.99 0.84 132.00 133.24 2k4z h PRO 65 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 2k4z h PRO 65 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2k4z h PRO 65 CO 0.68 0.00 -0.17 -0.44 -0.23 0.00 0.00 178.00 177.84 2k4z h ASP 66 N 0.00 0.00 0.00 1.44 5.19 -2.00 -2.96 116.42 118.09 2k4z h ASP 66 Ca 0.35 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.68 2k4z h ASP 66 Cb 1.44 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.93 2k4z h ASP 66 CO -0.00 0.17 -2.02 -1.22 -3.12 0.00 0.00 179.24 173.05 2k4z n TYR 67 N -4.00 0.00 0.10 4.55 4.01 0.24 -4.37 117.16 117.69 2k4z n TYR 67 Ca -0.02 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.87 2k4z n TYR 67 Cb 0.25 -0.58 0.67 0.00 -0.31 0.00 0.00 39.34 39.37 2k4z n TYR 67 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2k4z h VAL 68 N 0.00 0.84 0.00 -0.72 2.07 -1.25 -0.75 116.25 116.44 2k4z h VAL 68 Ca -0.13 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2k4z h VAL 68 Cb 1.24 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 2k4z h VAL 68 CO 0.01 0.00 0.00 -0.24 0.02 0.00 0.00 177.57 177.36 2k4z n SER 69 N -4.44 0.00 -0.22 0.57 2.88 -1.25 -3.09 113.62 108.07 2k4z n SER 69 Ca 0.05 -0.06 0.02 0.00 -1.33 0.00 0.00 58.87 57.55 2k4z n SER 69 Cb 0.41 -0.28 0.02 0.00 -0.75 0.00 0.00 64.21 63.61 2k4z n SER 69 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2k4z n LEU 70 N -1.28 0.57 0.00 2.46 4.77 -0.32 -4.82 117.00 118.39 2k4z n LEU 70 Ca 0.11 -1.11 0.00 0.00 -0.03 0.00 0.00 56.01 54.98 2k4z n LEU 70 Cb 0.19 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2k4z n LEU 70 CO 0.18 0.27 0.18 0.18 -1.33 0.00 0.00 177.39 176.87 2k4z n LEU 71 N -0.27 0.50 -4.87 2.23 4.77 -1.03 -4.93 117.00 113.39 2k4z n LEU 71 Ca 0.02 -0.50 -0.31 0.00 -0.03 0.00 0.00 56.01 55.20 2k4z n LEU 71 Cb 0.58 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.65 2k4z n LEU 71 CO 0.00 0.12 0.55 1.51 -1.33 0.00 0.00 177.39 178.25 2k4z s ASP 72 N -0.12 6.48 -0.73 -1.43 -4.77 -1.23 -3.78 116.67 111.07 2k4z s ASP 72 Ca 0.00 1.27 0.00 0.00 -3.30 0.00 0.00 52.55 50.52 2k4z s ASP 72 Cb 0.00 -2.39 0.00 0.00 -1.09 0.00 0.00 42.92 39.44 2k4z s ASP 72 CO 0.00 -0.54 0.00 0.00 0.70 0.00 0.00 175.17 175.33 2k4z n GLN 73 N -1.70 -0.85 -3.23 2.11 6.02 -0.03 -4.81 117.38 114.88 2k4z n GLN 73 Ca 0.04 0.66 -0.39 0.00 -0.01 0.00 0.00 57.00 57.30 2k4z n GLN 73 Cb 0.54 -4.55 -0.06 0.00 1.02 0.00 0.00 30.24 27.19 2k4z n GLN 73 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2k4z s THR 74 N -2.07 5.12 -0.23 5.09 2.01 -1.15 -4.27 115.64 120.12 2k4z s THR 74 Ca 0.00 1.03 -0.12 0.00 0.31 0.00 0.00 61.69 62.92 2k4z s THR 74 Cb 0.00 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 2k4z s THR 74 CO 0.00 0.23 0.21 -0.89 -0.69 0.00 0.00 174.62 173.48 2k4z s THR 75 N 1.21 5.33 -0.41 -0.82 2.01 0.20 -0.14 115.64 123.02 2k4z s THR 75 Ca 0.27 0.29 -0.14 0.00 0.31 0.00 0.00 61.69 62.41 2k4z s THR 75 Cb -0.16 -3.55 0.03 0.00 0.01 0.00 0.00 72.50 68.83 2k4z s THR 75 CO 0.11 0.32 0.30 -0.22 -0.69 0.00 0.00 174.62 174.44 2k4z s LEU 76 N 1.13 5.11 0.15 4.42 2.96 0.15 -0.36 118.68 132.24 2k4z s LEU 76 Ca 0.10 -0.97 0.11 0.00 -0.22 0.00 0.00 54.13 53.15 2k4z s LEU 76 Cb -0.14 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 2k4z s LEU 76 CO 0.05 -0.46 -0.23 -1.81 -1.32 0.00 0.00 176.35 172.58 2k4z s ASP 77 N 1.76 3.56 -0.42 3.68 1.01 -0.94 -2.57 116.67 122.75 2k4z s ASP 77 Ca 0.04 -0.74 -0.10 0.00 0.71 0.00 0.00 52.55 52.47 2k4z s ASP 77 Cb -0.20 -0.34 0.07 0.00 1.01 0.00 0.00 42.92 43.47 2k4z s ASP 77 CO 0.09 0.15 0.26 -0.72 0.21 0.00 0.00 175.17 175.16 2k4z s TYR 78 N -1.34 3.33 0.02 4.23 1.13 -1.26 -0.58 117.35 122.87 2k4z s TYR 78 Ca 0.18 -1.47 0.04 0.00 -1.41 0.00 0.00 57.07 54.42 2k4z s TYR 78 Cb -0.09 -2.93 -0.03 0.00 -1.10 0.00 0.00 41.96 37.81 2k4z s TYR 78 CO 0.09 -0.83 -0.10 0.14 -2.51 0.00 0.00 175.55 172.34 2k4z s VAL 79 N 1.44 3.41 -1.13 -3.49 -7.23 -0.20 -4.81 120.40 108.40 2k4z s VAL 79 Ca 0.03 -0.90 -0.21 0.00 -1.81 0.00 0.00 61.98 59.08 2k4z s VAL 79 Cb -0.23 -2.48 0.05 0.00 0.56 0.00 0.00 36.38 34.29 2k4z s VAL 79 CO 0.03 0.37 1.58 -0.70 -0.31 0.00 0.00 175.10 176.06 2k4z s GLU 80 N -1.46 3.70 0.26 4.82 2.12 -1.26 0.25 118.70 127.13 2k4z s GLU 80 Ca 0.17 -1.43 0.14 0.00 0.36 0.00 0.00 54.97 54.20 2k4z s GLU 80 Cb -0.11 -5.42 0.03 0.00 0.26 0.00 0.00 34.13 28.89 2k4z s GLU 80 CO 0.07 -2.28 1.42 -0.07 -0.54 0.00 0.00 175.26 173.86 2k4z h LEU 81 N 12.91 0.00 -8.51 2.70 3.38 -1.87 -3.45 115.31 120.47 2k4z h LEU 81 Ca 0.29 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.58 2k4z h LEU 81 Cb 0.96 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 41.40 2k4z h LEU 81 CO 1.43 0.57 -0.88 -1.61 0.09 0.00 0.00 178.44 178.04 2k4z s GLU 82 N -2.93 2.35 -0.29 1.13 0.41 -1.19 -5.07 118.70 113.11 2k4z s GLU 82 Ca 0.04 -0.89 -0.30 0.00 -0.41 0.00 0.00 54.97 53.40 2k4z s GLU 82 Cb 0.08 -2.08 -0.07 0.00 -1.78 0.00 0.00 34.13 30.28 2k4z s GLU 82 CO 0.76 0.43 2.24 -0.35 -0.49 0.00 0.00 175.26 177.85 2k4z n PRO 83 N 2.79 1.61 0.00 0.39 -0.04 -1.26 -0.38 135.00 138.11 2k4z n PRO 83 Ca -0.17 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2k4z n PRO 83 Cb 0.52 -3.02 0.00 0.00 -0.04 0.00 0.00 33.50 30.96 2k4z n PRO 83 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k4z n GLY 84 N 6.03 1.17 3.08 0.55 0.00 -1.26 -5.01 105.19 109.75 2k4z n GLY 84 Ca 0.34 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.04 2k4z n GLY 84 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k4z s GLN 85 N -0.64 2.11 -0.28 1.61 0.74 0.49 -5.08 119.66 118.61 2k4z s GLN 85 Ca 0.00 -1.46 -0.27 0.00 0.05 0.00 0.00 55.36 53.67 2k4z s GLN 85 Cb 0.00 -3.03 0.01 0.00 1.10 0.00 0.00 33.01 31.09 2k4z s GLN 85 CO 0.00 -0.67 0.98 -0.06 -0.55 0.00 0.00 175.29 174.99 2k4z s PHE 86 N 1.09 3.24 -0.17 1.67 0.08 -1.26 -3.17 117.98 119.46 2k4z s PHE 86 Ca -0.04 1.21 -0.10 0.00 0.12 0.00 0.00 56.93 58.12 2k4z s PHE 86 Cb -0.20 -3.40 -0.05 0.00 -0.57 0.00 0.00 43.02 38.80 2k4z s PHE 86 CO -0.05 -0.60 0.18 -1.58 -0.10 0.00 0.00 175.22 173.07 2k4z s HIS 87 N 3.29 3.47 -0.03 0.36 5.65 0.14 -4.80 115.29 123.38 2k4z s HIS 87 Ca 0.41 0.46 -0.30 0.00 0.25 0.00 0.00 55.06 55.88 2k4z s HIS 87 Cb -0.14 -2.16 -0.04 0.00 -1.18 0.00 0.00 32.58 29.07 2k4z s HIS 87 CO 0.11 0.39 1.16 -0.06 -0.65 0.00 0.00 174.74 175.69 2k4z s PHE 88 N 0.04 3.32 -0.01 3.88 0.08 -1.26 -1.03 117.98 123.00 2k4z s PHE 88 Ca 0.12 1.31 0.05 0.00 0.12 0.00 0.00 56.93 58.54 2k4z s PHE 88 Cb -0.12 -3.37 -0.03 0.00 -0.57 0.00 0.00 43.02 38.93 2k4z s PHE 88 CO 0.01 -1.08 -0.17 0.96 -0.10 0.00 0.00 175.22 174.84 2k4z s ILE 89 N 1.81 2.88 -0.48 0.64 -4.36 0.25 -4.96 121.20 116.98 2k4z s ILE 89 Ca 0.55 -0.95 -0.10 0.00 -0.26 0.00 0.00 60.65 59.90 2k4z s ILE 89 Cb -0.25 -2.16 0.12 0.00 1.25 0.00 0.00 42.46 41.42 2k4z s ILE 89 CO 0.24 0.48 0.36 -0.36 0.24 0.00 0.00 174.94 175.89 2k4z s PHE 90 N -0.81 3.41 -0.44 1.37 0.40 -1.26 -2.23 117.98 118.42 2k4z s PHE 90 Ca 0.13 -1.81 -0.18 0.00 -0.60 0.00 0.00 56.93 54.47 2k4z s PHE 90 Cb -0.11 -3.50 0.03 0.00 0.51 0.00 0.00 43.02 39.95 2k4z s PHE 90 CO 0.03 -0.99 0.51 -1.17 0.70 0.00 0.00 175.22 174.30 2k4z s LEU 91 N 1.38 4.85 0.02 -0.37 0.20 0.51 -4.85 118.68 120.42 2k4z s LEU 91 Ca 0.05 -0.69 -0.01 0.00 0.69 0.00 0.00 54.13 54.18 2k4z s LEU 91 Cb -0.26 -2.46 -0.02 0.00 -0.43 0.00 0.00 46.19 43.02 2k4z s LEU 91 CO -0.00 -0.68 -0.01 0.54 -0.29 0.00 0.00 176.35 175.90 2k4z s ASN 92 N 2.05 0.23 -0.05 3.68 2.20 -1.26 0.59 114.94 122.39 2k4z s ASN 92 Ca 0.14 -0.50 0.00 0.00 -0.94 0.00 0.00 52.86 51.56 2k4z s ASN 92 Cb -0.17 0.12 0.07 0.00 -2.00 0.00 0.00 41.25 39.27 2k4z s ASN 92 CO 0.14 -0.34 1.07 -2.65 -2.94 0.00 0.00 177.10 172.39 2k4z n PRO 93 N 1.45 1.15 -0.06 3.55 -0.02 -1.26 -3.58 135.00 136.23 2k4z n PRO 93 Ca -0.23 -0.33 -0.07 0.00 -2.02 0.00 0.00 63.50 60.86 2k4z n PRO 93 Cb 0.56 -1.15 -0.10 0.00 -0.02 0.00 0.00 33.50 32.78 2k4z n PRO 93 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2k4z n ARG 94 N 0.31 1.84 -3.55 -0.52 0.63 -1.26 -4.64 116.66 109.47 2k4z n ARG 94 Ca 0.06 -0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.61 2k4z n ARG 94 Cb 0.61 -1.34 -0.06 0.00 0.45 0.00 0.00 32.46 32.13 2k4z n ARG 94 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2k4z s ASP 95 N -4.62 6.76 0.11 6.15 -1.08 -1.23 -4.97 116.67 117.78 2k4z s ASP 95 Ca -0.07 0.90 0.05 0.00 -0.52 0.00 0.00 52.55 52.91 2k4z s ASP 95 Cb 0.04 -2.23 0.25 0.00 -1.46 0.00 0.00 42.92 39.52 2k4z s ASP 95 CO 0.53 0.33 0.98 -2.65 0.52 0.00 0.00 175.17 174.89 2k4z n PRO 96 N 1.82 0.03 -0.33 4.34 -0.02 -1.26 -1.20 135.00 138.38 2k4z n PRO 96 Ca -0.15 0.40 -0.04 0.00 -2.02 0.00 0.00 63.50 61.70 2k4z n PRO 96 Cb 0.53 -1.82 0.09 0.00 -0.02 0.00 0.00 33.50 32.28 2k4z n PRO 96 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2k4z h THR 97 N 0.00 1.26 -3.74 3.45 2.02 -1.93 -3.38 112.91 110.59 2k4z h THR 97 Ca 0.00 -0.64 -0.64 0.00 0.77 0.00 0.00 66.41 65.90 2k4z h THR 97 Cb 0.45 0.03 -0.38 0.00 -1.74 0.00 0.00 68.15 66.51 2k4z h THR 97 CO 0.00 0.29 -0.78 -0.31 0.37 0.00 0.00 175.52 175.09 2k4z s TYR 98 N -5.84 2.94 -0.24 3.16 2.02 -0.34 -5.10 117.35 113.94 2k4z s TYR 98 Ca -0.13 -2.17 -0.09 0.00 -0.37 0.00 0.00 57.07 54.31 2k4z s TYR 98 Cb 0.17 -1.90 -0.04 0.00 -0.40 0.00 0.00 41.96 39.79 2k4z s TYR 98 CO 0.83 -0.85 0.13 1.03 -1.57 0.00 0.00 175.55 175.12 2k4z s ARG 99 N 1.21 3.93 0.49 -0.62 0.52 -1.26 -4.22 118.95 118.99 2k4z s ARG 99 Ca -0.05 -0.34 -0.18 0.00 -0.52 0.00 0.00 55.73 54.63 2k4z s ARG 99 Cb -0.19 -3.47 -0.09 0.00 0.52 0.00 0.00 34.95 31.72 2k4z s ARG 99 CO -0.06 -0.02 0.98 -1.25 0.02 0.00 0.00 175.30 174.97 2k4z s PRO 100 N 1.25 3.98 0.61 3.54 0.04 -1.26 -4.96 135.00 138.19 2k4z s PRO 100 Ca 0.06 1.06 0.39 0.00 0.04 0.00 0.00 61.00 62.56 2k4z s PRO 100 Cb -0.14 -2.14 1.91 0.00 0.04 0.00 0.00 34.50 34.17 2k4z s PRO 100 CO 0.05 -0.25 2.18 -1.00 0.04 0.00 0.00 177.00 178.03 2k4z h PRO 101 N 1.26 0.00 -0.19 0.56 0.13 -2.00 -0.58 132.00 131.18 2k4z h PRO 101 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2k4z h PRO 101 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2k4z h PRO 101 CO 0.61 0.01 0.00 -1.13 -0.23 0.00 0.00 178.00 177.25 2k4z n SER 102 N -3.11 2.52 -3.01 1.44 3.41 -1.26 -4.94 113.62 108.67 2k4z n SER 102 Ca -0.01 -1.84 -0.11 0.00 -0.26 0.00 0.00 58.87 56.66 2k4z n SER 102 Cb 0.19 -0.12 -0.01 0.00 -0.26 0.00 0.00 64.21 64.01 2k4z n SER 102 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2k4z n GLY 103 N 1.31 3.41 0.00 5.00 0.00 -0.22 -5.27 105.19 109.41 2k4z n GLY 103 Ca 0.17 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.95 2k4z n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93