#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 1.65 0.35 3.03 0.00 -1.26 -4.78 105.19 104.18 2k4z n GLY -19 Ca 0.00 -0.19 0.04 0.00 0.00 0.00 0.00 46.02 45.87 2k4z n GLY -19 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2k4z h SER -18 N 0.00 0.80 0.55 1.61 4.64 -1.97 0.93 113.55 120.11 2k4z h SER -18 Ca 0.00 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2k4z h SER -18 Cb 0.00 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 61.91 2k4z h SER -18 CO 0.00 0.53 -0.13 0.28 -0.87 0.00 0.00 176.83 176.64 2k4z h SER -17 N 0.92 0.00 -0.00 4.97 0.02 -1.86 0.27 113.55 117.87 2k4z h SER -17 Ca 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 2k4z h SER -17 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2k4z h SER -17 CO -0.10 0.13 -0.86 1.41 -1.14 0.00 0.00 176.83 176.27 2k4z n HIS -16 N -3.50 0.00 0.06 3.45 -0.00 -0.35 -4.21 115.22 110.67 2k4z n HIS -16 Ca -0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.48 2k4z n HIS -16 Cb 0.29 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 30.13 2k4z n HIS -16 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2k4z h HIS -15 N 0.34 0.66 -3.65 4.41 2.76 0.10 -3.43 115.15 116.33 2k4z h HIS -15 Ca 0.00 -0.48 -0.67 0.00 -2.20 0.00 0.00 60.37 57.02 2k4z h HIS -15 Cb 0.50 -0.03 -0.23 0.00 1.55 0.00 0.00 27.41 29.20 2k4z h HIS -15 CO 0.00 1.68 -0.58 -1.58 -1.30 0.00 0.00 177.93 176.15 2k4z s HIS -14 N -2.56 3.15 0.34 5.26 5.65 0.87 -5.07 115.29 122.93 2k4z s HIS -14 Ca -0.17 -0.59 0.01 0.00 0.25 0.00 0.00 55.06 54.56 2k4z s HIS -14 Cb 0.05 -2.31 -0.03 0.00 -1.18 0.00 0.00 32.58 29.11 2k4z s HIS -14 CO 0.83 -0.45 0.53 -1.01 -0.65 0.00 0.00 174.74 174.00 2k4z s HIS -13 N 1.60 3.48 -0.13 3.88 4.02 -1.26 -4.65 115.29 122.23 2k4z s HIS -13 Ca 0.05 0.30 0.16 0.00 1.02 0.00 0.00 55.06 56.59 2k4z s HIS -13 Cb -0.17 -1.88 -0.23 0.00 -1.02 0.00 0.00 32.58 29.28 2k4z s HIS -13 CO 0.05 0.14 0.39 0.72 1.02 0.00 0.00 174.74 177.06 2k4z n HIS -12 N -1.76 0.47 -4.37 1.40 8.25 -1.26 -4.92 115.22 113.04 2k4z n HIS -12 Ca -0.05 0.17 -0.19 0.00 -0.26 0.00 0.00 57.72 57.39 2k4z n HIS -12 Cb 0.56 -1.05 -0.14 0.00 1.12 0.00 0.00 29.99 30.48 2k4z n HIS -12 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2k4z s HIS -11 N -2.63 1.03 0.82 4.41 4.02 -1.26 -5.15 115.29 116.53 2k4z s HIS -11 Ca -0.07 -0.28 -0.10 0.00 1.02 0.00 0.00 55.06 55.62 2k4z s HIS -11 Cb 0.07 -0.63 0.12 0.00 -1.02 0.00 0.00 32.58 31.12 2k4z s HIS -11 CO 0.83 0.00 1.16 -1.12 1.02 0.00 0.00 174.74 176.63 2k4z s SER -10 N -0.75 4.07 0.11 1.40 0.01 -1.26 -5.10 113.70 112.18 2k4z s SER -10 Ca 0.02 0.36 0.09 0.00 1.31 0.00 0.00 55.95 57.73 2k4z s SER -10 Cb -0.06 -0.72 -0.04 0.00 0.21 0.00 0.00 66.02 65.41 2k4z s SER -10 CO 0.00 -2.11 -0.24 -0.55 0.41 0.00 0.00 173.24 170.75 2k4z s SER -9 N -4.69 2.92 -0.15 2.44 0.15 -1.26 -5.13 113.70 107.97 2k4z s SER -9 Ca 0.66 -0.69 -0.09 0.00 0.70 0.00 0.00 55.95 56.53 2k4z s SER -9 Cb -0.08 -0.19 -0.05 0.00 -1.71 0.00 0.00 66.02 64.00 2k4z s SER -9 CO 0.49 0.13 0.16 -0.83 1.20 0.00 0.00 173.24 174.39 2k4z s GLY -8 N -1.87 2.13 -0.01 9.45 0.00 -1.26 -5.08 107.32 110.67 2k4z s GLY -8 Ca 0.10 -0.63 -0.17 0.00 0.00 0.00 0.00 44.72 44.02 2k4z s GLY -8 CO 0.05 -0.10 0.47 -2.27 0.00 0.00 0.00 173.10 171.24 2k4z s LEU -7 N -0.40 4.44 0.19 0.66 2.96 -1.26 -5.06 118.68 120.21 2k4z s LEU -7 Ca 0.13 1.00 -0.30 0.00 -0.22 0.00 0.00 54.13 54.74 2k4z s LEU -7 Cb -0.12 -2.70 -0.08 0.00 0.50 0.00 0.00 46.19 43.80 2k4z s LEU -7 CO 0.02 0.23 1.06 0.68 -1.32 0.00 0.00 176.35 177.01 2k4z s VAL -6 N -0.63 3.94 0.71 1.68 -7.23 -1.26 -5.02 120.40 112.59 2k4z s VAL -6 Ca 0.26 1.73 -0.14 0.00 -1.81 0.00 0.00 61.98 62.02 2k4z s VAL -6 Cb -0.17 -4.11 0.03 0.00 0.56 0.00 0.00 36.38 32.69 2k4z s VAL -6 CO 0.14 0.32 1.15 -2.84 -0.31 0.00 0.00 175.10 173.56 2k4z s PRO -5 N -0.57 2.39 0.12 4.82 0.02 -1.26 -4.96 135.00 135.57 2k4z s PRO -5 Ca 0.47 1.54 -0.03 0.00 0.02 0.00 0.00 61.00 63.00 2k4z s PRO -5 Cb -0.28 -1.89 -0.12 0.00 0.02 0.00 0.00 34.50 32.23 2k4z s PRO -5 CO 0.35 -1.59 1.28 0.00 -0.33 0.00 0.00 177.00 176.70 2k4z h ARG -4 N -0.28 0.32 0.00 5.54 3.08 -2.08 -3.47 114.38 117.49 2k4z h ARG -4 Ca -0.47 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.19 2k4z h ARG -4 Cb 1.27 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.44 2k4z h ARG -4 CO 0.51 1.10 0.00 0.41 -1.07 0.00 0.00 179.97 180.92 2k4z n GLY -3 N 1.07 1.10 3.52 0.04 0.00 -1.26 -4.73 105.19 104.93 2k4z n GLY -3 Ca -0.06 0.32 -0.15 0.00 0.00 0.00 0.00 46.02 46.13 2k4z n GLY -3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k4z s SER -2 N -4.00 0.99 0.23 1.61 0.15 -1.26 -5.05 113.70 106.37 2k4z s SER -2 Ca 0.00 -1.53 0.23 0.00 0.70 0.00 0.00 55.95 55.35 2k4z s SER -2 Cb 0.00 0.71 0.05 0.00 -1.71 0.00 0.00 66.02 65.07 2k4z s SER -2 CO 0.00 -1.38 1.12 0.45 1.20 0.00 0.00 173.24 174.63 2k4z h HIS -1 N 2.06 0.00 -4.10 3.44 -0.00 -2.01 -3.50 115.15 111.04 2k4z h HIS -1 Ca -0.29 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.09 2k4z h HIS -1 Cb 1.24 0.00 -0.07 0.00 -0.00 0.00 0.00 27.41 28.58 2k4z h HIS -1 CO 1.67 0.00 -0.87 -1.33 -0.00 0.00 0.00 177.93 177.40 2k4z n MET 0 N -2.72 -2.51 -1.79 2.45 2.81 -1.26 -4.98 117.12 109.11 2k4z n MET 0 Ca 0.01 2.12 -0.24 0.00 -1.81 0.00 0.00 57.70 57.77 2k4z n MET 0 Cb 0.54 -3.26 0.05 0.00 -0.71 0.00 0.00 33.22 29.84 2k4z n MET 0 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 2k4z n MET 1 N 0.90 3.30 -2.29 0.03 2.81 -1.26 -4.89 117.12 115.73 2k4z n MET 1 Ca -0.22 -3.93 -0.41 0.00 -1.81 0.00 0.00 57.70 51.33 2k4z n MET 1 Cb 0.35 -2.24 -0.03 0.00 -0.71 0.00 0.00 33.22 30.59 2k4z n MET 1 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 2k4z s PHE 2 N -3.62 2.08 -0.21 2.03 5.36 -1.26 -2.96 117.98 119.40 2k4z s PHE 2 Ca 0.53 0.50 -0.06 0.00 -0.96 0.00 0.00 56.93 56.94 2k4z s PHE 2 Cb 0.43 -4.32 -0.03 0.00 -0.34 0.00 0.00 43.02 38.76 2k4z s PHE 2 CO 0.02 -2.16 0.02 0.21 -1.46 0.00 0.00 175.22 171.86 2k4z s LYS 3 N 5.95 3.65 -0.17 10.12 2.20 -0.37 -4.97 119.74 136.15 2k4z s LYS 3 Ca 0.56 -0.50 -0.01 0.00 -0.36 0.00 0.00 55.97 55.66 2k4z s LYS 3 Cb -0.12 -3.15 -0.01 0.00 -1.51 0.00 0.00 37.83 33.05 2k4z s LYS 3 CO 0.23 -0.02 -0.10 -1.17 -0.36 0.00 0.00 175.35 173.93 2k4z s LEU 4 N 1.11 2.72 0.18 5.43 0.20 -1.26 -0.03 118.68 127.03 2k4z s LEU 4 Ca 0.03 -0.39 -0.32 0.00 0.69 0.00 0.00 54.13 54.15 2k4z s LEU 4 Cb -0.14 -1.65 -0.11 0.00 -0.43 0.00 0.00 46.19 43.86 2k4z s LEU 4 CO 0.02 0.07 1.62 0.42 -0.29 0.00 0.00 176.35 178.20 2k4z s THR 5 N 0.89 2.40 0.35 3.68 -4.23 -0.84 -4.66 115.64 113.24 2k4z s THR 5 Ca -0.02 0.29 0.13 0.00 -1.18 0.00 0.00 61.69 60.90 2k4z s THR 5 Cb -0.15 -3.19 0.34 0.00 1.34 0.00 0.00 72.50 70.85 2k4z s THR 5 CO -0.00 0.02 1.77 1.55 -0.54 0.00 0.00 174.62 177.42 2k4z h PRO 6 N 6.76 0.53 -0.26 3.99 0.13 -1.93 0.36 132.00 141.58 2k4z h PRO 6 Ca -0.43 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2k4z h PRO 6 Cb 1.20 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2k4z h PRO 6 CO 0.93 0.35 0.14 0.00 -0.23 0.00 0.00 178.00 179.18 2k4z h ALA 7 N 1.66 0.34 -0.18 -0.56 0.00 -1.94 -0.12 119.26 118.46 2k4z h ALA 7 Ca 0.59 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 55.27 2k4z h ALA 7 Cb 1.24 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2k4z h ALA 7 CO -0.36 -0.12 -0.53 0.00 0.00 0.00 0.00 179.25 178.25 2k4z h ALA 8 N 1.01 0.74 -0.74 0.00 0.00 -1.40 -2.41 119.26 116.45 2k4z h ALA 8 Ca 0.09 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 54.51 2k4z h ALA 8 Cb 0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2k4z h ALA 8 CO -0.01 0.68 0.49 0.00 0.00 0.00 0.00 179.25 180.41 2k4z h ALA 9 N 1.01 0.94 -0.06 0.00 0.00 -0.13 0.20 119.26 121.23 2k4z h ALA 9 Ca 0.01 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2k4z h ALA 9 Cb 1.06 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2k4z h ALA 9 CO 0.10 0.37 -0.39 1.49 0.00 0.00 0.00 179.25 180.82 2k4z h GLU 10 N 1.01 0.12 -0.24 0.00 4.81 -0.90 0.18 114.58 119.57 2k4z h GLU 10 Ca 0.27 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.33 2k4z h GLU 10 Cb -0.11 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 2k4z h GLU 10 CO -0.06 0.50 -0.33 0.37 -0.73 0.00 0.00 179.01 178.76 2k4z h GLN 11 N 0.10 0.65 -0.77 1.92 4.15 -0.81 -0.99 115.11 119.36 2k4z h GLN 11 Ca 0.01 -0.38 -0.05 0.00 0.77 0.00 0.00 58.65 59.00 2k4z h GLN 11 Cb 0.74 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.43 2k4z h GLN 11 CO 0.06 0.99 0.27 0.28 -1.93 0.00 0.00 178.83 178.49 2k4z h VAL 12 N 0.35 1.26 -0.40 2.39 2.07 -0.37 -2.06 116.25 119.49 2k4z h VAL 12 Ca 0.03 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 2k4z h VAL 12 Cb 0.91 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2k4z h VAL 12 CO 0.08 0.35 0.19 0.25 0.02 0.00 0.00 177.57 178.46 2k4z h LEU 13 N 1.13 0.50 -0.68 2.57 5.85 -0.52 -1.78 115.31 122.38 2k4z h LEU 13 Ca 0.25 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.86 2k4z h LEU 13 Cb 0.27 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 2k4z h LEU 13 CO -0.01 0.43 0.15 0.50 -0.34 0.00 0.00 178.44 179.17 2k4z h LYS 14 N 0.56 1.10 -0.39 1.25 3.64 -0.50 -1.65 116.57 120.57 2k4z h LYS 14 Ca 0.14 -0.27 -0.04 0.00 -1.27 0.00 0.00 60.65 59.21 2k4z h LYS 14 Cb 0.07 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 2k4z h LYS 14 CO -0.02 0.98 0.07 0.00 -2.27 0.00 0.00 179.45 178.21 2k4z h ALA 15 N 1.07 1.39 -0.53 5.00 0.00 -0.84 0.62 119.26 125.97 2k4z h ALA 15 Ca 0.21 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2k4z h ALA 15 Cb 0.39 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2k4z h ALA 15 CO 0.01 0.44 -0.03 0.00 0.00 0.00 0.00 179.25 179.66 2k4z h ALA 16 N 1.51 0.96 -0.18 0.00 0.00 -0.88 0.14 119.26 120.81 2k4z h ALA 16 Ca 0.13 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2k4z h ALA 16 Cb 0.26 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2k4z h ALA 16 CO 0.00 0.63 0.01 0.87 0.00 0.00 0.00 179.25 180.76 2k4z h LYS 17 N 0.84 0.30 0.12 0.00 1.57 -0.53 -0.12 116.57 118.75 2k4z h LYS 17 Ca 0.15 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2k4z h LYS 17 Cb 0.54 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2k4z h LYS 17 CO 0.03 0.49 -0.06 1.96 -0.57 0.00 0.00 179.45 181.30 2k4z h GLN 18 N 0.07 -0.16 0.00 3.15 1.08 -0.72 -2.90 115.11 115.64 2k4z h GLN 18 Ca 0.05 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 2k4z h GLN 18 Cb 0.35 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 2k4z h GLN 18 CO 0.01 0.04 0.00 0.41 -0.95 0.00 0.00 178.83 178.33 2k4z n GLY 19 N -0.71 -1.19 2.33 3.46 0.00 0.47 -4.86 105.19 104.69 2k4z n GLY 19 Ca -0.08 -0.12 -0.06 0.00 0.00 0.00 0.00 46.02 45.75 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 1.00 0.83 1.11 -0.02 0.00 -0.53 -4.87 105.19 102.70 2k4z n GLY 20 Ca 0.12 -0.41 0.02 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.67 1.20 0.19 2.61 -2.24 -0.17 -4.06 114.28 109.15 2k4z n THR 21 Ca -0.06 -0.60 0.04 0.00 -2.27 0.00 0.00 64.05 61.15 2k4z n THR 21 Cb 0.28 -0.42 0.39 0.00 -2.10 0.00 0.00 70.33 68.47 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 1.63 0.00 0.00 -0.78 4.81 -1.87 -1.22 114.58 117.15 2k4z h GLU 22 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2k4z h GLU 22 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2k4z h GLU 22 CO 0.22 0.35 0.00 0.41 -0.73 0.00 0.00 179.01 179.26 2k4z n GLY 23 N -0.40 -1.36 3.98 1.92 0.00 -1.26 -4.79 105.19 103.28 2k4z n GLY 23 Ca -0.02 -0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 2k4z n GLY 23 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2k4z s MET 24 N -2.91 2.37 0.24 1.61 -1.94 -0.46 -5.03 119.30 113.19 2k4z s MET 24 Ca 0.16 -1.69 0.10 0.00 -1.71 0.00 0.00 55.69 52.55 2k4z s MET 24 Cb 0.18 -2.48 -0.05 0.00 2.01 0.00 0.00 34.83 34.48 2k4z s MET 24 CO 0.47 -0.67 -0.18 0.00 -0.01 0.00 0.00 175.02 174.63 2k4z s LEU 26 N -3.37 4.05 -0.22 0.00 2.96 -1.19 0.06 118.68 120.98 2k4z s LEU 26 Ca 0.26 -0.71 -0.11 0.00 -0.22 0.00 0.00 54.13 53.36 2k4z s LEU 26 Cb -0.03 -2.56 -0.05 0.00 0.50 0.00 0.00 46.19 44.05 2k4z s LEU 26 CO 0.11 -1.47 0.16 -0.60 -1.32 0.00 0.00 176.35 173.23 2k4z s ARG 27 N 4.39 4.13 0.00 1.98 3.52 -0.25 -0.91 118.95 131.81 2k4z s ARG 27 Ca 0.27 -0.22 -0.16 0.00 -0.13 0.00 0.00 55.73 55.49 2k4z s ARG 27 Cb -0.14 -3.48 -0.06 0.00 -1.56 0.00 0.00 34.95 29.71 2k4z s ARG 27 CO 0.14 0.17 0.43 -0.51 -0.81 0.00 0.00 175.30 174.72 2k4z s LEU 28 N 0.74 4.47 -0.18 -0.88 1.43 -1.21 -2.19 118.68 120.86 2k4z s LEU 28 Ca 0.08 1.00 -0.02 0.00 -1.03 0.00 0.00 54.13 54.16 2k4z s LEU 28 Cb -0.12 -2.64 -0.00 0.00 0.03 0.00 0.00 46.19 43.45 2k4z s LEU 28 CO 0.02 0.30 -0.10 0.00 0.23 0.00 0.00 176.35 176.80 2k4z s ALA 29 N -0.97 2.66 0.06 4.21 0.00 -0.02 -4.80 121.76 122.90 2k4z s ALA 29 Ca 0.25 -1.09 0.09 0.00 0.00 0.00 0.00 51.96 51.20 2k4z s ALA 29 Cb -0.17 -1.45 -0.03 0.00 0.00 0.00 0.00 23.12 21.46 2k4z s ALA 29 CO 0.14 -0.21 -0.24 0.00 0.00 0.00 0.00 175.76 175.45 2k4z s ALA 30 N 1.10 2.36 -0.13 0.00 0.00 -1.26 -0.26 121.76 123.57 2k4z s ALA 30 Ca 0.00 -1.29 -0.09 0.00 0.00 0.00 0.00 51.96 50.59 2k4z s ALA 30 Cb -0.15 -0.52 0.04 0.00 0.00 0.00 0.00 23.12 22.50 2k4z s ALA 30 CO -0.02 0.55 0.32 0.20 0.00 0.00 0.00 175.76 176.80 2k4z s GLY 31 N -1.46 -0.23 -0.01 0.00 0.00 0.30 -5.00 107.32 100.93 2k4z s GLY 31 Ca 0.13 1.11 -0.30 0.00 0.00 0.00 0.00 44.72 45.65 2k4z s GLY 31 CO 0.04 1.19 1.53 -1.60 0.00 0.00 0.00 173.10 174.25 2k4z s ARG 32 N 0.88 4.23 0.02 2.90 3.52 -1.26 0.06 118.95 129.30 2k4z s ARG 32 Ca -0.06 2.10 -0.30 0.00 -0.13 0.00 0.00 55.73 57.34 2k4z s ARG 32 Cb -0.07 -3.71 -0.04 0.00 -1.56 0.00 0.00 34.95 29.58 2k4z s ARG 32 CO -0.06 -0.70 1.07 1.21 -0.81 0.00 0.00 175.30 176.00 2k4z s ASN 33 N 2.43 7.25 -0.87 -2.12 3.84 -0.41 -4.81 114.94 120.25 2k4z s ASN 33 Ca 0.69 1.80 -0.20 0.00 0.21 0.00 0.00 52.86 55.35 2k4z s ASN 33 Cb -0.33 -2.57 -0.22 0.00 -0.55 0.00 0.00 41.25 37.57 2k4z s ASN 33 CO 0.28 -0.34 2.36 -2.65 -2.79 0.00 0.00 177.10 173.96 2k4z n PRO 34 N 3.92 0.31 -1.70 0.43 -0.02 -1.26 -2.12 135.00 134.56 2k4z n PRO 34 Ca 0.07 -0.26 -0.14 0.00 -2.02 0.00 0.00 63.50 61.15 2k4z n PRO 34 Cb 0.49 -2.23 -0.05 0.00 -0.02 0.00 0.00 33.50 31.69 2k4z n PRO 34 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2k4z n ASP 35 N 11.79 -3.93 0.00 2.55 9.92 -1.26 -4.80 116.55 130.82 2k4z n ASP 35 Ca 0.57 0.29 0.00 0.00 -0.53 0.00 0.00 54.79 55.13 2k4z n ASP 35 Cb 0.26 -3.54 0.00 0.00 -0.64 0.00 0.00 41.12 37.21 2k4z n ASP 35 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k4z n GLY 36 N -0.43 0.02 0.00 0.44 0.00 -0.90 -5.13 105.19 99.19 2k4z n GLY 36 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2k4z n GLY 36 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k4z n SER 37 N -0.82 0.00 -3.97 1.61 7.64 -1.25 -4.85 113.62 111.98 2k4z n SER 37 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.67 2k4z n SER 37 Cb 0.00 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.04 2k4z n SER 37 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2k4z s ILE 38 N 1.72 0.78 -0.07 0.44 1.01 -1.26 -1.28 121.20 122.54 2k4z s ILE 38 Ca 0.00 -0.31 -0.19 0.00 0.00 0.00 0.00 60.65 60.15 2k4z s ILE 38 Cb 0.00 -0.73 -0.05 0.00 0.01 0.00 0.00 42.46 41.69 2k4z s ILE 38 CO 0.00 0.26 0.51 -1.81 0.00 0.00 0.00 174.94 173.91 2k4z s ASP 39 N 0.53 6.80 -0.04 3.58 1.01 0.11 -4.82 116.67 123.84 2k4z s ASP 39 Ca -0.09 0.95 0.04 0.00 0.71 0.00 0.00 52.55 54.16 2k4z s ASP 39 Cb -0.12 -2.31 -0.00 0.00 1.01 0.00 0.00 42.92 41.50 2k4z s ASP 39 CO 0.01 0.06 -0.15 -0.31 0.21 0.00 0.00 175.17 174.99 2k4z s TYR 40 N 0.18 1.57 0.05 4.23 2.02 -1.26 -0.54 117.35 123.60 2k4z s TYR 40 Ca 0.28 -0.45 0.05 0.00 -0.37 0.00 0.00 57.07 56.57 2k4z s TYR 40 Cb -0.16 -1.07 -0.02 0.00 -0.40 0.00 0.00 41.96 40.30 2k4z s TYR 40 CO 0.13 -0.16 -0.14 1.03 -1.57 0.00 0.00 175.55 174.84 2k4z s ARG 41 N 0.11 0.85 -0.23 -0.62 0.52 0.64 -5.01 118.95 115.20 2k4z s ARG 41 Ca -0.04 -0.83 -0.06 0.00 -0.52 0.00 0.00 55.73 54.27 2k4z s ARG 41 Cb -0.11 -0.85 -0.03 0.00 0.52 0.00 0.00 34.95 34.48 2k4z s ARG 41 CO 0.02 0.20 0.04 -1.64 0.02 0.00 0.00 175.30 173.94 2k4z s MET 42 N -1.40 3.63 -0.08 3.54 -1.94 -1.26 -0.84 119.30 120.94 2k4z s MET 42 Ca -0.01 -0.50 -0.00 0.00 -1.71 0.00 0.00 55.69 53.47 2k4z s MET 42 Cb -0.09 -3.23 0.02 0.00 2.01 0.00 0.00 34.83 33.54 2k4z s MET 42 CO 0.02 -0.13 -0.05 0.20 -0.01 0.00 0.00 175.02 175.04 2k4z s GLY 43 N 1.43 0.65 -0.27 -0.03 0.00 -0.93 -5.00 107.32 103.18 2k4z s GLY 43 Ca 0.05 -0.32 -0.29 0.00 0.00 0.00 0.00 44.72 44.16 2k4z s GLY 43 CO 0.02 0.76 1.74 -1.36 0.00 0.00 0.00 173.10 174.27 2k4z s PHE 44 N 1.53 1.89 0.00 1.90 0.08 -1.26 -1.09 117.98 121.02 2k4z s PHE 44 Ca -0.00 0.55 0.00 0.00 0.12 0.00 0.00 56.93 57.60 2k4z s PHE 44 Cb -0.13 -4.07 0.00 0.00 -0.57 0.00 0.00 43.02 38.25 2k4z s PHE 44 CO -0.04 -3.08 0.00 -3.47 -0.10 0.00 0.00 175.22 168.52 2k4z n ASP 45 N 9.49 0.00 -4.74 1.36 -0.08 0.11 -4.91 116.55 117.78 2k4z n ASP 45 Ca 0.21 -0.52 -0.33 0.00 -1.51 0.00 0.00 54.79 52.65 2k4z n ASP 45 Cb 0.46 0.00 0.09 0.00 2.34 0.00 0.00 41.12 44.00 2k4z n ASP 45 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2k4z s ASP 46 N 0.11 4.42 -0.38 1.67 -1.08 -1.26 -1.68 116.67 118.47 2k4z s ASP 46 Ca 0.00 2.08 -0.05 0.00 -0.52 0.00 0.00 52.55 54.06 2k4z s ASP 46 Cb 0.00 -2.56 0.08 0.00 -1.46 0.00 0.00 42.92 38.98 2k4z s ASP 46 CO 0.00 -2.10 0.18 -0.22 0.52 0.00 0.00 175.17 173.55 2k4z s LEU 47 N -5.42 4.86 -0.08 -1.34 0.20 -1.26 -4.69 118.68 110.95 2k4z s LEU 47 Ca 0.68 -1.59 -0.12 0.00 0.69 0.00 0.00 54.13 53.79 2k4z s LEU 47 Cb -0.22 -1.87 -0.05 0.00 -0.43 0.00 0.00 46.19 43.62 2k4z s LEU 47 CO 0.48 -0.47 0.29 -0.89 -0.29 0.00 0.00 176.35 175.47 2k4z s THR 48 N 1.30 5.26 -1.62 3.68 2.01 -1.26 -4.97 115.64 120.04 2k4z s THR 48 Ca 0.03 0.55 0.31 0.00 0.31 0.00 0.00 61.69 62.88 2k4z s THR 48 Cb -0.22 -3.58 0.65 0.00 0.01 0.00 0.00 72.50 69.35 2k4z s THR 48 CO -0.00 0.55 2.11 -0.62 -0.69 0.00 0.00 174.62 175.97 2k4z n GLU 49 N 2.24 0.62 0.11 4.92 1.02 -1.26 -2.12 120.64 126.17 2k4z n GLU 49 Ca -0.16 -0.01 -0.01 0.00 -0.02 0.00 0.00 57.16 56.96 2k4z n GLU 49 Cb 0.53 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.43 2k4z n GLU 49 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 2k4z h ASP 50 N 0.02 0.00 -4.21 1.62 3.58 -1.99 -3.46 116.42 111.98 2k4z h ASP 50 Ca 0.00 0.00 -0.49 0.00 0.42 0.00 0.00 57.03 56.96 2k4z h ASP 50 Cb 0.20 0.00 0.06 0.00 1.72 0.00 0.00 39.33 41.31 2k4z h ASP 50 CO 0.00 0.68 0.38 -1.81 -2.88 0.00 0.00 179.24 175.61 2k4z s ASP 51 N -6.56 5.78 -0.24 2.28 1.11 -0.90 -4.58 116.67 113.55 2k4z s ASP 51 Ca 0.03 1.79 -0.25 0.00 0.18 0.00 0.00 52.55 54.30 2k4z s ASP 51 Cb 0.09 -2.53 -0.00 0.00 1.07 0.00 0.00 42.92 41.54 2k4z s ASP 51 CO 0.77 -1.17 0.85 -0.63 1.18 0.00 0.00 175.17 176.18 2k4z s ILE 52 N -2.51 4.82 -0.38 0.77 -1.09 0.89 -4.78 121.20 118.92 2k4z s ILE 52 Ca 0.63 1.60 -0.24 0.00 -2.23 0.00 0.00 60.65 60.41 2k4z s ILE 52 Cb -0.16 -4.14 0.01 0.00 -1.58 0.00 0.00 42.46 36.60 2k4z s ILE 52 CO 0.38 -0.09 0.84 -0.13 -1.23 0.00 0.00 174.94 174.71 2k4z s ARG 53 N 2.89 3.73 -0.23 2.79 0.52 -1.26 -1.13 118.95 126.25 2k4z s ARG 53 Ca 0.36 0.34 -0.06 0.00 -0.52 0.00 0.00 55.73 55.84 2k4z s ARG 53 Cb -0.15 -3.83 -0.03 0.00 0.52 0.00 0.00 34.95 31.46 2k4z s ARG 53 CO 0.07 -0.94 0.04 -0.51 0.02 0.00 0.00 175.30 173.98 2k4z s LEU 54 N 3.29 3.34 -0.43 2.53 1.43 0.16 -4.97 118.68 124.04 2k4z s LEU 54 Ca 0.34 -0.21 -0.13 0.00 -1.03 0.00 0.00 54.13 53.10 2k4z s LEU 54 Cb -0.12 -1.88 0.06 0.00 0.03 0.00 0.00 46.19 44.28 2k4z s LEU 54 CO 0.19 0.00 0.31 -0.89 0.23 0.00 0.00 176.35 176.19 2k4z s THR 55 N 1.37 4.84 0.00 5.49 2.01 -1.26 0.38 115.64 128.47 2k4z s THR 55 Ca 0.05 -1.07 0.00 0.00 0.31 0.00 0.00 61.69 60.98 2k4z s THR 55 Cb -0.15 -3.85 0.00 0.00 0.01 0.00 0.00 72.50 68.51 2k4z s THR 55 CO 0.02 -0.46 0.00 -1.54 -0.69 0.00 0.00 174.62 171.95 2k4z n SER 56 N 5.08 0.00 -2.86 3.53 3.41 -0.29 -4.91 113.62 117.57 2k4z n SER 56 Ca -0.11 -0.46 -0.28 0.00 -0.26 0.00 0.00 58.87 57.76 2k4z n SER 56 Cb 0.44 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.32 2k4z n SER 56 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2k4z n GLU 57 N -0.46 2.89 0.00 4.33 1.02 -1.26 -4.06 120.64 123.10 2k4z n GLU 57 Ca 0.00 -1.68 0.00 0.00 -0.02 0.00 0.00 57.16 55.46 2k4z n GLU 57 Cb 0.00 -2.48 0.00 0.00 -0.02 0.00 0.00 31.44 28.94 2k4z n GLU 57 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k4z n GLY 58 N 3.25 3.51 3.50 0.62 0.00 -1.26 -4.75 105.19 110.05 2k4z n GLY 58 Ca 0.62 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.02 3.24 -0.13 1.61 1.01 -1.26 -5.04 120.40 119.81 2k4z s VAL 59 Ca 0.00 -0.65 -0.19 0.00 0.00 0.00 0.00 61.98 61.14 2k4z s VAL 59 Cb 0.00 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 2k4z s VAL 59 CO 0.00 0.59 0.51 -0.70 0.00 0.00 0.00 175.10 175.50 2k4z s GLU 60 N -0.67 4.32 -0.18 2.72 2.12 -1.26 -1.14 118.70 124.61 2k4z s GLU 60 Ca 0.10 0.49 0.01 0.00 0.36 0.00 0.00 54.97 55.93 2k4z s GLU 60 Cb -0.11 -3.46 0.03 0.00 0.26 0.00 0.00 34.13 30.85 2k4z s GLU 60 CO 0.01 0.09 -0.13 0.42 -0.54 0.00 0.00 175.26 175.10 2k4z s ILE 61 N 0.85 1.70 -0.23 -3.70 1.01 0.16 -3.15 121.20 117.83 2k4z s ILE 61 Ca 0.27 -0.87 -0.11 0.00 0.00 0.00 0.00 60.65 59.94 2k4z s ILE 61 Cb -0.15 -1.66 -0.05 0.00 0.01 0.00 0.00 42.46 40.60 2k4z s ILE 61 CO 0.11 0.34 0.17 0.68 0.00 0.00 0.00 174.94 176.24 2k4z s VAL 62 N 1.40 5.36 -0.17 2.92 -7.23 -0.09 0.39 120.40 122.98 2k4z s VAL 62 Ca 0.02 0.21 -0.00 0.00 -1.81 0.00 0.00 61.98 60.40 2k4z s VAL 62 Cb -0.14 -3.51 0.04 0.00 0.56 0.00 0.00 36.38 33.32 2k4z s VAL 62 CO -0.10 0.35 -0.07 -0.63 -0.31 0.00 0.00 175.10 174.34 2k4z s ILE 63 N 1.00 1.27 0.46 -0.62 1.01 -0.29 -3.30 121.20 120.74 2k4z s ILE 63 Ca 0.08 -0.71 -0.25 0.00 0.00 0.00 0.00 60.65 59.78 2k4z s ILE 63 Cb -0.13 -1.39 -0.08 0.00 0.01 0.00 0.00 42.46 40.86 2k4z s ILE 63 CO 0.04 0.18 1.39 0.00 0.00 0.00 0.00 174.94 176.55 2k4z n ALA 64 N 4.82 1.85 -0.34 9.38 0.00 -1.26 -0.07 120.51 134.89 2k4z n ALA 64 Ca -0.13 0.23 0.28 0.00 0.00 0.00 0.00 53.44 53.83 2k4z n ALA 64 Cb 0.48 -2.37 0.60 0.00 0.00 0.00 0.00 19.45 18.16 2k4z n ALA 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2k4z h PRO 65 N 2.14 0.23 -0.54 0.00 0.11 -1.95 0.33 132.00 132.32 2k4z h PRO 65 Ca -0.50 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.50 2k4z h PRO 65 Cb 1.28 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 2k4z h PRO 65 CO 0.60 0.15 -0.03 -0.44 -0.21 0.00 0.00 178.00 178.08 2k4z h ASP 66 N 0.24 0.96 0.57 -2.05 3.32 -1.98 -3.04 116.42 114.43 2k4z h ASP 66 Ca 0.62 -0.32 -0.29 0.00 0.02 0.00 0.00 57.03 57.07 2k4z h ASP 66 Cb 1.89 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 41.18 2k4z h ASP 66 CO -0.23 1.05 -1.32 1.88 -1.72 0.00 0.00 179.24 178.90 2k4z h TYR 67 N 0.85 0.52 0.00 4.55 0.05 -1.19 -3.34 116.97 118.42 2k4z h TYR 67 Ca 0.15 -0.38 -0.00 0.00 0.05 0.00 0.00 58.73 58.55 2k4z h TYR 67 Cb 0.57 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.29 2k4z h TYR 67 CO 0.04 1.32 -0.02 -0.24 -1.05 0.00 0.00 178.16 178.22 2k4z h VAL 68 N 0.08 0.61 0.00 -2.88 3.04 -0.42 1.00 116.25 117.68 2k4z h VAL 68 Ca -0.17 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 2k4z h VAL 68 Cb 2.00 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 32.32 2k4z h VAL 68 CO 0.20 0.02 0.00 -1.20 -1.01 0.00 0.00 177.57 175.58 2k4z n SER 69 N -3.94 0.57 -0.12 3.17 7.64 -1.16 -2.56 113.62 117.23 2k4z n SER 69 Ca -0.03 0.61 0.01 0.00 1.01 0.00 0.00 58.87 60.48 2k4z n SER 69 Cb 0.10 -0.75 0.02 0.00 -1.01 0.00 0.00 64.21 62.57 2k4z n SER 69 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2k4z n LEU 70 N -2.10 1.44 -0.24 -3.43 4.77 0.30 -4.61 117.00 113.12 2k4z n LEU 70 Ca 0.03 -1.21 0.03 0.00 -0.03 0.00 0.00 56.01 54.84 2k4z n LEU 70 Cb 0.27 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.37 2k4z n LEU 70 CO 0.22 0.34 0.33 0.18 -1.33 0.00 0.00 177.39 177.13 2k4z n LEU 71 N 0.07 1.47 -4.79 2.23 4.77 -0.93 -5.01 117.00 114.81 2k4z n LEU 71 Ca 0.02 -0.98 -0.35 0.00 -0.03 0.00 0.00 56.01 54.66 2k4z n LEU 71 Cb 0.12 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 2k4z n LEU 71 CO 0.02 0.30 0.73 -0.62 -1.33 0.00 0.00 177.39 176.49 2k4z s ASP 72 N -0.55 6.51 -1.17 -1.43 2.15 -1.13 -3.99 116.67 117.06 2k4z s ASP 72 Ca 0.07 2.00 -0.10 0.00 0.43 0.00 0.00 52.55 54.95 2k4z s ASP 72 Cb 0.05 -2.57 -0.02 0.00 -0.30 0.00 0.00 42.92 40.08 2k4z s ASP 72 CO 0.08 -0.66 0.79 0.00 -0.17 0.00 0.00 175.17 175.21 2k4z n GLN 73 N -0.54 -2.72 -4.02 4.34 6.02 -1.25 -4.86 117.38 114.35 2k4z n GLN 73 Ca 0.07 0.62 -0.17 0.00 -0.01 0.00 0.00 57.00 57.51 2k4z n GLN 73 Cb 0.51 -4.92 -0.16 0.00 1.02 0.00 0.00 30.24 26.69 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 -3.51 0.29 -0.21 5.09 2.01 -1.15 -4.26 115.64 113.89 2k4z s THR 74 Ca 0.31 -0.01 -0.06 0.00 0.31 0.00 0.00 61.69 62.25 2k4z s THR 74 Cb -0.08 -0.34 -0.03 0.00 0.01 0.00 0.00 72.50 72.06 2k4z s THR 74 CO 0.81 0.15 0.02 -0.89 -0.69 0.00 0.00 174.62 174.03 2k4z s THR 75 N 0.80 4.09 -0.20 -0.82 2.01 0.28 -1.23 115.64 120.57 2k4z s THR 75 Ca -0.09 -0.26 -0.10 0.00 0.31 0.00 0.00 61.69 61.55 2k4z s THR 75 Cb -0.12 -2.87 -0.05 0.00 0.01 0.00 0.00 72.50 69.47 2k4z s THR 75 CO -0.01 0.40 0.15 -0.22 -0.69 0.00 0.00 174.62 174.25 2k4z s LEU 76 N 1.15 4.20 0.10 4.42 2.96 0.95 0.11 118.68 132.57 2k4z s LEU 76 Ca 0.03 0.24 -0.08 0.00 -0.22 0.00 0.00 54.13 54.10 2k4z s LEU 76 Cb -0.14 -2.12 -0.01 0.00 0.50 0.00 0.00 46.19 44.42 2k4z s LEU 76 CO 0.02 0.16 0.19 -0.62 -1.32 0.00 0.00 176.35 174.77 2k4z s ASP 77 N 0.45 0.14 -0.10 3.68 2.15 -0.96 -1.98 116.67 120.06 2k4z s ASP 77 Ca 0.09 -0.74 0.02 0.00 0.43 0.00 0.00 52.55 52.34 2k4z s ASP 77 Cb -0.11 0.35 -0.02 0.00 -0.30 0.00 0.00 42.92 42.83 2k4z s ASP 77 CO -0.01 -0.75 -0.14 -0.72 -0.17 0.00 0.00 175.17 173.38 2k4z s TYR 78 N -3.89 2.75 0.08 -5.34 1.13 -1.26 -0.15 117.35 110.66 2k4z s TYR 78 Ca 0.08 -0.49 0.04 0.00 -1.41 0.00 0.00 57.07 55.29 2k4z s TYR 78 Cb 0.05 -1.76 -0.03 0.00 -1.10 0.00 0.00 41.96 39.12 2k4z s TYR 78 CO -0.08 -0.08 -0.12 0.14 -2.51 0.00 0.00 175.55 172.90 2k4z s VAL 79 N -0.04 0.97 -1.02 -3.49 -7.23 -0.15 -4.93 120.40 104.50 2k4z s VAL 79 Ca -0.03 -1.40 -0.15 0.00 -1.81 0.00 0.00 61.98 58.58 2k4z s VAL 79 Cb -0.14 -1.11 0.18 0.00 0.56 0.00 0.00 36.38 35.87 2k4z s VAL 79 CO 0.04 -0.37 1.15 -0.70 -0.31 0.00 0.00 175.10 174.90 2k4z s GLU 80 N -2.11 3.83 0.28 4.82 2.12 -1.26 -0.93 118.70 125.44 2k4z s GLU 80 Ca -0.00 -2.33 0.08 0.00 0.36 0.00 0.00 54.97 53.08 2k4z s GLU 80 Cb -0.07 -4.82 0.40 0.00 0.26 0.00 0.00 34.13 29.90 2k4z s GLU 80 CO 0.01 -1.61 1.65 -0.07 -0.54 0.00 0.00 175.26 174.70 2k4z h LEU 81 N 9.22 0.12 -7.58 2.70 3.38 -1.88 -3.41 115.31 117.86 2k4z h LEU 81 Ca 0.20 -0.06 -0.51 0.00 0.09 0.00 0.00 57.88 57.59 2k4z h LEU 81 Cb 0.96 -0.03 -0.38 0.00 0.09 0.00 0.00 40.66 41.30 2k4z h LEU 81 CO 1.07 0.64 -0.79 -0.70 0.09 0.00 0.00 178.44 178.75 2k4z s GLU 82 N -3.84 1.18 -0.34 1.13 2.12 -1.26 -5.10 118.70 112.60 2k4z s GLU 82 Ca -0.03 -0.27 -0.43 0.00 0.36 0.00 0.00 54.97 54.60 2k4z s GLU 82 Cb 0.13 -1.63 -0.18 0.00 0.26 0.00 0.00 34.13 32.71 2k4z s GLU 82 CO 0.77 -0.37 1.63 -2.30 -0.54 0.00 0.00 175.26 174.45 2k4z n PRO 83 N 4.98 0.58 0.00 4.30 -0.02 -1.26 -0.23 135.00 143.35 2k4z n PRO 83 Ca -0.11 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2k4z n PRO 83 Cb 0.49 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 2k4z n PRO 83 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k4z n GLY 84 N 3.89 0.88 2.98 -1.23 0.00 -1.26 -5.04 105.19 105.41 2k4z n GLY 84 Ca 0.28 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.87 1.77 -0.57 1.61 0.74 0.68 -5.08 119.66 117.94 2k4z s GLN 85 Ca 0.00 -1.16 -0.25 0.00 0.05 0.00 0.00 55.36 53.99 2k4z s GLN 85 Cb 0.00 -2.70 0.04 0.00 1.10 0.00 0.00 33.01 31.45 2k4z s GLN 85 CO 0.00 -0.63 1.02 -0.06 -0.55 0.00 0.00 175.29 175.08 2k4z s PHE 86 N 1.28 2.71 -0.17 1.67 0.08 -1.26 -3.97 117.98 118.32 2k4z s PHE 86 Ca -0.05 0.07 -0.06 0.00 0.12 0.00 0.00 56.93 57.01 2k4z s PHE 86 Cb -0.19 -4.23 -0.03 0.00 -0.57 0.00 0.00 43.02 38.00 2k4z s PHE 86 CO -0.07 -1.46 0.02 -1.58 -0.10 0.00 0.00 175.22 172.03 2k4z s HIS 87 N 4.30 3.15 0.29 0.36 5.65 -0.11 -4.90 115.29 124.04 2k4z s HIS 87 Ca 0.33 -0.09 -0.28 0.00 0.25 0.00 0.00 55.06 55.27 2k4z s HIS 87 Cb -0.11 -2.03 -0.09 0.00 -1.18 0.00 0.00 32.58 29.16 2k4z s HIS 87 CO 0.20 0.06 0.98 -0.06 -0.65 0.00 0.00 174.74 175.27 2k4z s PHE 88 N 0.39 3.75 -0.08 3.88 0.08 -1.26 -0.98 117.98 123.76 2k4z s PHE 88 Ca 0.00 1.81 0.02 0.00 0.12 0.00 0.00 56.93 58.88 2k4z s PHE 88 Cb -0.13 -3.02 0.01 0.00 -0.57 0.00 0.00 43.02 39.31 2k4z s PHE 88 CO 0.01 0.11 -0.14 0.96 -0.10 0.00 0.00 175.22 176.06 2k4z s ILE 89 N -1.37 1.35 -0.78 0.64 -4.36 0.79 -4.92 121.20 112.55 2k4z s ILE 89 Ca 0.46 -0.59 -0.20 0.00 -0.26 0.00 0.00 60.65 60.06 2k4z s ILE 89 Cb -0.24 -1.23 0.10 0.00 1.25 0.00 0.00 42.46 42.34 2k4z s ILE 89 CO 0.30 0.41 1.01 -0.36 0.24 0.00 0.00 174.94 176.54 2k4z s PHE 90 N 0.78 2.91 -0.65 1.37 0.40 -1.26 -2.26 117.98 119.26 2k4z s PHE 90 Ca -0.12 -0.98 -0.28 0.00 -0.60 0.00 0.00 56.93 54.96 2k4z s PHE 90 Cb -0.16 -4.26 0.03 0.00 0.51 0.00 0.00 43.02 39.14 2k4z s PHE 90 CO 0.02 -1.54 1.27 -1.17 0.70 0.00 0.00 175.22 174.50 2k4z s LEU 91 N 3.30 3.30 -0.33 -0.37 2.96 0.12 -4.91 118.68 122.76 2k4z s LEU 91 Ca 0.26 -0.13 -0.03 0.00 -0.22 0.00 0.00 54.13 54.01 2k4z s LEU 91 Cb -0.12 -2.85 0.06 0.00 0.50 0.00 0.00 46.19 43.77 2k4z s LEU 91 CO 0.01 -1.70 0.05 0.21 -1.32 0.00 0.00 176.35 173.60 2k4z s ASN 92 N 3.61 5.05 0.15 3.68 2.47 -1.26 -0.55 114.94 128.09 2k4z s ASN 92 Ca 0.41 -1.35 0.18 0.00 0.42 0.00 0.00 52.86 52.52 2k4z s ASN 92 Cb -0.08 -1.77 0.78 0.00 -1.45 0.00 0.00 41.25 38.73 2k4z s ASN 92 CO 0.20 -0.32 1.54 -2.65 -3.72 0.00 0.00 177.10 172.16 2k4z n PRO 93 N 4.67 0.10 0.12 0.43 -0.02 -1.26 -2.10 135.00 136.94 2k4z n PRO 93 Ca -0.11 0.40 0.13 0.00 -2.02 0.00 0.00 63.50 61.89 2k4z n PRO 93 Cb 0.43 -1.72 0.45 0.00 -0.02 0.00 0.00 33.50 32.64 2k4z n PRO 93 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2k4z n ARG 94 N -1.91 0.23 -2.59 -0.52 1.74 -1.26 -4.76 116.66 107.59 2k4z n ARG 94 Ca 0.02 0.32 -0.35 0.00 -0.77 0.00 0.00 57.85 57.07 2k4z n ARG 94 Cb 0.16 -1.84 -0.04 0.00 -1.02 0.00 0.00 32.46 29.71 2k4z n ARG 94 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2k4z s ASP 95 N -4.42 6.61 0.41 0.55 -1.08 -0.89 -4.92 116.67 112.93 2k4z s ASP 95 Ca 0.08 1.93 0.20 0.00 -0.52 0.00 0.00 52.55 54.23 2k4z s ASP 95 Cb 0.11 -2.57 1.08 0.00 -1.46 0.00 0.00 42.92 40.08 2k4z s ASP 95 CO 0.50 -0.60 1.55 1.55 0.52 0.00 0.00 175.17 178.70 2k4z h PRO 96 N 1.99 0.00 -6.00 4.34 0.13 -1.89 -3.41 132.00 127.16 2k4z h PRO 96 Ca -0.49 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.11 2k4z h PRO 96 Cb 1.21 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.13 2k4z h PRO 96 CO 0.61 0.00 -0.81 0.99 -0.23 0.00 0.00 178.00 178.55 2k4z s THR 97 N -3.58 1.63 0.20 1.56 2.01 -1.26 -5.03 115.64 111.18 2k4z s THR 97 Ca -0.02 -1.57 -0.01 0.00 0.31 0.00 0.00 61.69 60.40 2k4z s THR 97 Cb 0.06 -1.53 -0.06 0.00 0.01 0.00 0.00 72.50 70.98 2k4z s THR 97 CO 0.18 -0.13 1.51 0.22 -0.69 0.00 0.00 174.62 175.71 2k4z h TYR 98 N 3.98 0.60 -3.48 4.92 3.20 -1.87 -3.38 116.97 120.94 2k4z h TYR 98 Ca -0.45 -0.22 -0.71 0.00 3.14 0.00 0.00 58.73 60.49 2k4z h TYR 98 Cb 1.19 -0.11 -0.29 0.00 1.54 0.00 0.00 36.73 39.05 2k4z h TYR 98 CO 0.63 0.94 -0.50 0.50 -1.64 0.00 0.00 178.16 178.09 2k4z s ARG 99 N -3.91 2.52 -0.39 1.82 3.52 -1.26 -4.61 118.95 116.63 2k4z s ARG 99 Ca -0.07 -1.49 -0.39 0.00 -0.13 0.00 0.00 55.73 53.66 2k4z s ARG 99 Cb 0.11 -3.71 -0.15 0.00 -1.56 0.00 0.00 34.95 29.65 2k4z s ARG 99 CO 0.83 -0.94 2.10 -0.35 -0.81 0.00 0.00 175.30 176.13 2k4z n PRO 100 N 4.85 0.72 0.23 5.12 -0.04 -1.26 -4.83 135.00 139.80 2k4z n PRO 100 Ca -0.09 0.21 0.12 0.00 -0.04 0.00 0.00 63.50 63.70 2k4z n PRO 100 Cb 0.43 -2.09 0.46 0.00 -0.04 0.00 0.00 33.50 32.26 2k4z n PRO 100 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 2k4z h PRO 101 N 10.47 0.00 -0.48 0.54 0.13 -1.94 -2.51 132.00 138.21 2k4z h PRO 101 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2k4z h PRO 101 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2k4z h PRO 101 CO 1.03 0.14 0.00 0.43 -0.23 0.00 0.00 178.00 179.38 2k4z n SER 102 N -3.24 3.23 -3.79 1.44 7.64 -1.26 -4.63 113.62 113.00 2k4z n SER 102 Ca 0.01 -1.96 -0.42 0.00 1.01 0.00 0.00 58.87 57.51 2k4z n SER 102 Cb 0.43 -0.31 0.01 0.00 -1.01 0.00 0.00 64.21 63.32 2k4z n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k4z n GLY 103 N 1.47 5.06 0.00 0.23 0.00 -0.94 -4.84 105.19 106.16 2k4z n GLY 103 Ca 0.20 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.97 2k4z n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93