#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 0.64 0.18 3.03 0.00 -1.26 -4.94 105.19 102.84 2k4z n GLY -19 Ca 0.00 -0.70 0.14 0.00 0.00 0.00 0.00 46.02 45.46 2k4z n GLY -19 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2k4z h SER -18 N 0.00 0.00 0.49 1.61 0.02 -1.94 -1.67 113.55 112.05 2k4z h SER -18 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k4z h SER -18 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 2k4z h SER -18 CO 0.00 0.00 -0.26 -1.54 -1.14 0.00 0.00 176.83 173.89 2k4z n SER -17 N -2.51 0.52 0.02 3.07 3.41 -1.26 -3.77 113.62 113.09 2k4z n SER -17 Ca 0.01 -0.36 -0.08 0.00 -0.26 0.00 0.00 58.87 58.19 2k4z n SER -17 Cb 0.24 0.01 0.09 0.00 -0.26 0.00 0.00 64.21 64.29 2k4z n SER -17 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 2k4z h HIS -16 N 0.41 0.62 -3.60 7.33 3.86 -1.71 -3.40 115.15 118.67 2k4z h HIS -16 Ca 0.00 -0.21 -0.70 0.00 -1.16 0.00 0.00 60.37 58.30 2k4z h HIS -16 Cb 0.46 -0.12 -0.24 0.00 1.06 0.00 0.00 27.41 28.57 2k4z h HIS -16 CO 0.00 0.90 -0.53 -1.58 0.86 0.00 0.00 177.93 177.59 2k4z s HIS -15 N -4.05 3.23 -0.87 2.45 5.65 -1.25 -5.03 115.29 115.42 2k4z s HIS -15 Ca -0.07 -0.91 -0.21 0.00 0.25 0.00 0.00 55.06 54.12 2k4z s HIS -15 Cb 0.12 -2.42 0.09 0.00 -1.18 0.00 0.00 32.58 29.19 2k4z s HIS -15 CO 0.83 -0.61 1.18 -1.01 -0.65 0.00 0.00 174.74 174.47 2k4z s HIS -14 N 1.56 2.80 0.00 3.88 0.09 -1.26 -4.28 115.29 118.08 2k4z s HIS -14 Ca 0.02 -0.95 0.00 0.00 -0.00 0.00 0.00 55.06 54.14 2k4z s HIS -14 Cb -0.19 -4.41 0.00 0.00 -0.00 0.00 0.00 32.58 27.98 2k4z s HIS -14 CO 0.06 -1.68 0.33 1.58 -0.00 0.00 0.00 174.74 175.03 2k4z n HIS -13 N 7.61 0.00 -4.06 1.40 -0.00 -1.26 -5.09 115.22 113.82 2k4z n HIS -13 Ca 0.18 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.57 2k4z n HIS -13 Cb 0.49 0.12 -0.15 0.00 -0.00 0.00 0.00 29.99 30.44 2k4z n HIS -13 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2k4z s HIS -12 N 0.00 3.02 -2.25 1.57 0.09 -1.26 -4.95 115.29 111.51 2k4z s HIS -12 Ca 0.00 -1.86 0.22 0.00 -0.00 0.00 0.00 55.06 53.42 2k4z s HIS -12 Cb 0.00 -1.96 0.89 0.00 -0.00 0.00 0.00 32.58 31.52 2k4z s HIS -12 CO 0.00 -0.81 1.63 0.72 -0.00 0.00 0.00 174.74 176.27 2k4z n HIS -11 N 4.57 0.14 -3.98 1.40 -0.00 -1.26 -4.86 115.22 111.23 2k4z n HIS -11 Ca -0.17 -0.07 0.00 0.00 -0.00 0.00 0.00 57.72 57.48 2k4z n HIS -11 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.45 2k4z n HIS -11 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 2k4z n SER -10 N 0.06 1.40 0.16 0.41 3.41 -1.26 -5.02 113.62 112.78 2k4z n SER -10 Ca 0.16 -0.98 0.13 0.00 -0.26 0.00 0.00 58.87 57.93 2k4z n SER -10 Cb 0.28 0.00 0.51 0.00 -0.26 0.00 0.00 64.21 64.74 2k4z n SER -10 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2k4z h SER -9 N 0.00 0.00 0.00 4.04 0.02 -2.00 -3.46 113.55 112.15 2k4z h SER -9 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k4z h SER -9 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2k4z h SER -9 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 2k4z n GLY -8 N 0.25 -2.32 3.92 -3.77 0.00 -1.26 -4.83 105.19 97.19 2k4z n GLY -8 Ca 0.02 0.76 -0.20 0.00 0.00 0.00 0.00 46.02 46.61 2k4z n GLY -8 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k4z s LEU -7 N -2.03 3.44 0.27 0.99 1.43 -1.26 -4.89 118.68 116.62 2k4z s LEU -7 Ca 0.00 -0.67 0.10 0.00 -1.03 0.00 0.00 54.13 52.53 2k4z s LEU -7 Cb 0.00 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 43.98 2k4z s LEU -7 CO 0.00 -0.72 -0.07 0.68 0.23 0.00 0.00 176.35 176.47 2k4z s VAL -6 N -2.45 3.13 0.74 -1.59 -7.23 -1.26 -4.77 120.40 106.96 2k4z s VAL -6 Ca 0.50 -2.08 -0.13 0.00 -1.81 0.00 0.00 61.98 58.47 2k4z s VAL -6 Cb -0.05 -2.66 0.05 0.00 0.56 0.00 0.00 36.38 34.27 2k4z s VAL -6 CO 0.30 -0.38 1.12 -2.84 -0.31 0.00 0.00 175.10 172.99 2k4z s PRO -5 N -3.61 2.26 0.21 4.82 0.02 -1.26 -4.96 135.00 132.49 2k4z s PRO -5 Ca 0.31 1.40 0.09 0.00 0.02 0.00 0.00 61.00 62.82 2k4z s PRO -5 Cb -0.06 -1.88 0.14 0.00 0.02 0.00 0.00 34.50 32.72 2k4z s PRO -5 CO 0.18 -1.67 1.48 0.00 -0.33 0.00 0.00 177.00 176.67 2k4z h ARG -4 N -0.68 0.00 -5.42 5.54 3.08 -2.05 -3.43 114.38 111.42 2k4z h ARG -4 Ca -0.45 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 58.97 2k4z h ARG -4 Cb 1.25 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.20 2k4z h ARG -4 CO 0.51 0.76 -0.48 0.20 -1.07 0.00 0.00 179.97 179.89 2k4z s GLY -3 N -4.56 2.09 -0.85 0.04 0.00 -1.26 -5.04 107.32 97.74 2k4z s GLY -3 Ca -0.00 -0.66 -0.23 0.00 0.00 0.00 0.00 44.72 43.83 2k4z s GLY -3 CO 0.78 -0.06 1.21 -0.56 0.00 0.00 0.00 173.10 174.47 2k4z s SER -2 N -0.20 6.38 -0.45 1.64 0.01 -1.26 -4.97 113.70 114.85 2k4z s SER -2 Ca 0.11 -1.28 -0.28 0.00 1.31 0.00 0.00 55.95 55.81 2k4z s SER -2 Cb -0.11 -2.49 -0.01 0.00 0.21 0.00 0.00 66.02 63.62 2k4z s SER -2 CO 0.01 -1.44 1.67 -2.28 0.41 0.00 0.00 173.24 171.60 2k4z s HIS -1 N 4.31 1.97 0.61 2.43 2.46 -1.26 -4.91 115.29 120.90 2k4z s HIS -1 Ca 0.34 0.65 -0.01 0.00 0.47 0.00 0.00 55.06 56.51 2k4z s HIS -1 Cb -0.07 -4.20 0.05 0.00 -0.13 0.00 0.00 32.58 28.22 2k4z s HIS -1 CO 0.00 -2.44 0.86 -1.64 -2.47 0.00 0.00 174.74 169.06 2k4z s MET 0 N 5.81 2.40 0.00 2.88 -1.94 -1.26 -5.00 119.30 122.19 2k4z s MET 0 Ca 0.68 -0.62 0.19 0.00 -1.71 0.00 0.00 55.69 54.24 2k4z s MET 0 Cb -0.16 -2.38 0.53 0.00 2.01 0.00 0.00 34.83 34.83 2k4z s MET 0 CO 0.29 -0.91 1.45 -1.33 -0.01 0.00 0.00 175.02 174.51 2k4z n MET 1 N -2.55 2.37 -2.12 2.03 2.81 -1.26 -4.81 117.12 113.59 2k4z n MET 1 Ca 0.08 -2.12 -0.39 0.00 -1.81 0.00 0.00 57.70 53.46 2k4z n MET 1 Cb 0.60 -1.47 -0.03 0.00 -0.71 0.00 0.00 33.22 31.61 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 -1.27 1.76 -0.41 2.03 5.36 -1.26 -3.71 117.98 120.48 2k4z s PHE 2 Ca 0.40 0.65 -0.19 0.00 -0.96 0.00 0.00 56.93 56.83 2k4z s PHE 2 Cb 0.21 -4.18 0.02 0.00 -0.34 0.00 0.00 43.02 38.73 2k4z s PHE 2 CO 0.28 -2.27 0.52 0.21 -1.46 0.00 0.00 175.22 172.50 2k4z s LYS 3 N 6.81 3.25 -0.62 10.12 2.20 -0.75 -4.97 119.74 135.79 2k4z s LYS 3 Ca 0.62 -0.52 -0.23 0.00 -0.36 0.00 0.00 55.97 55.48 2k4z s LYS 3 Cb -0.12 -3.93 0.06 0.00 -1.51 0.00 0.00 37.83 32.33 2k4z s LYS 3 CO 0.20 -0.87 0.96 -1.17 -0.36 0.00 0.00 175.35 174.11 2k4z s LEU 4 N 2.43 4.24 0.18 5.43 0.20 -1.26 -0.34 118.68 129.56 2k4z s LEU 4 Ca 0.17 -0.74 -0.33 0.00 0.69 0.00 0.00 54.13 53.92 2k4z s LEU 4 Cb -0.16 -2.57 -0.14 0.00 -0.43 0.00 0.00 46.19 42.90 2k4z s LEU 4 CO 0.16 -1.37 1.50 0.41 -0.29 0.00 0.00 176.35 176.76 2k4z n THR 5 N 6.03 0.31 0.17 3.68 -1.04 -0.80 -4.68 114.28 117.95 2k4z n THR 5 Ca -0.02 -0.08 0.18 0.00 -2.04 0.00 0.00 64.05 62.10 2k4z n THR 5 Cb 0.46 -1.46 0.72 0.00 -1.82 0.00 0.00 70.33 68.23 2k4z n THR 5 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2k4z h PRO 6 N 5.26 0.00 -0.18 -2.82 0.11 -1.95 0.38 132.00 132.79 2k4z h PRO 6 Ca -0.45 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.47 2k4z h PRO 6 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2k4z h PRO 6 CO 0.84 0.00 -0.65 0.00 -0.21 0.00 0.00 178.00 177.98 2k4z h ALA 7 N 1.32 0.51 0.03 -0.75 0.00 -1.96 -2.08 119.26 116.33 2k4z h ALA 7 Ca 0.14 -0.56 -0.28 0.00 0.00 0.00 0.00 54.91 54.22 2k4z h ALA 7 Cb 1.09 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2k4z h ALA 7 CO -0.00 0.70 -1.50 0.00 0.00 0.00 0.00 179.25 178.45 2k4z h ALA 8 N 0.78 0.55 -0.66 0.00 0.00 -1.11 -3.27 119.26 115.55 2k4z h ALA 8 Ca -0.01 -1.25 0.01 0.00 0.00 0.00 0.00 54.91 53.66 2k4z h ALA 8 Cb 1.24 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 19.28 2k4z h ALA 8 CO 0.13 1.40 0.43 0.00 0.00 0.00 0.00 179.25 181.21 2k4z h ALA 9 N 0.85 0.83 -0.08 0.00 0.00 -0.37 0.20 119.26 120.69 2k4z h ALA 9 Ca -0.21 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 2k4z h ALA 9 Cb 1.95 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 2k4z h ALA 9 CO 0.11 0.25 -0.28 1.49 0.00 0.00 0.00 179.25 180.82 2k4z h GLU 10 N 0.88 0.14 -0.30 0.00 4.81 -1.50 0.17 114.58 118.78 2k4z h GLU 10 Ca 0.24 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.32 2k4z h GLU 10 Cb -0.09 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2k4z h GLU 10 CO -0.06 0.42 -0.23 0.37 -0.73 0.00 0.00 179.01 178.78 2k4z h GLN 11 N 0.13 0.69 -0.56 1.92 4.15 -1.33 0.37 115.11 120.49 2k4z h GLN 11 Ca 0.02 -0.34 -0.05 0.00 0.77 0.00 0.00 58.65 59.05 2k4z h GLN 11 Cb 0.57 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.23 2k4z h GLN 11 CO 0.04 0.95 0.15 0.28 -1.93 0.00 0.00 178.83 178.31 2k4z h VAL 12 N 0.45 1.24 -0.46 2.39 2.07 -0.68 -1.59 116.25 119.67 2k4z h VAL 12 Ca 0.06 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 2k4z h VAL 12 Cb 0.78 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 2k4z h VAL 12 CO 0.06 0.32 0.16 0.25 0.02 0.00 0.00 177.57 178.38 2k4z h LEU 13 N 0.79 0.61 -0.85 2.57 5.85 -0.49 -1.99 115.31 121.81 2k4z h LEU 13 Ca 0.18 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.72 2k4z h LEU 13 Cb 0.33 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2k4z h LEU 13 CO -0.00 0.58 -0.19 0.50 -0.34 0.00 0.00 178.44 178.99 2k4z h LYS 14 N 0.66 0.65 -0.59 1.25 3.64 0.21 0.35 116.57 122.73 2k4z h LYS 14 Ca 0.16 -0.23 -0.06 0.00 -1.27 0.00 0.00 60.65 59.24 2k4z h LYS 14 Cb 0.18 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 2k4z h LYS 14 CO -0.01 0.80 0.13 0.00 -2.27 0.00 0.00 179.45 178.10 2k4z h ALA 15 N 1.21 0.78 -0.13 5.00 0.00 -0.67 -1.55 119.26 123.91 2k4z h ALA 15 Ca 0.09 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 2k4z h ALA 15 Cb 0.65 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2k4z h ALA 15 CO 0.05 0.50 -0.45 0.00 0.00 0.00 0.00 179.25 179.35 2k4z h ALA 16 N 1.03 1.00 -0.08 0.00 0.00 -1.05 -2.81 119.26 117.35 2k4z h ALA 16 Ca 0.18 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2k4z h ALA 16 Cb 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2k4z h ALA 16 CO 0.00 0.63 -0.02 -0.22 0.00 0.00 0.00 179.25 179.64 2k4z h LYS 17 N 0.25 0.12 0.00 0.00 3.64 0.23 -1.13 116.57 119.68 2k4z h LYS 17 Ca 0.02 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2k4z h LYS 17 Cb 0.89 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.68 2k4z h LYS 17 CO 0.07 0.15 -0.14 1.96 -2.27 0.00 0.00 179.45 179.22 2k4z h GLN 18 N 0.12 0.00 0.00 1.90 4.20 -1.02 -3.47 115.11 116.84 2k4z h GLN 18 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2k4z h GLN 18 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 2k4z h GLN 18 CO 0.00 0.14 0.00 0.41 -0.67 0.00 0.00 178.83 178.72 2k4z n GLY 19 N -1.01 1.66 0.08 3.46 0.00 -0.43 -4.98 105.19 103.97 2k4z n GLY 19 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 2k4z n GLY 19 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k4z h GLY 20 N 0.00 0.00 -2.69 -0.02 0.00 -1.76 -2.72 103.07 95.87 2k4z h GLY 20 Ca 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 2k4z h GLY 20 CO 0.00 -0.04 0.04 -1.30 0.00 0.00 0.00 176.54 175.23 2k4z n THR 21 N -5.15 2.59 -2.12 4.70 -2.24 -1.26 -4.95 114.28 105.86 2k4z n THR 21 Ca -0.06 -1.70 -0.43 0.00 -2.27 0.00 0.00 64.05 59.59 2k4z n THR 21 Cb 0.08 -0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 68.00 2k4z n THR 21 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2k4z s GLU 22 N -2.86 3.48 0.00 -0.78 2.12 -1.03 -1.35 118.70 118.28 2k4z s GLU 22 Ca 0.49 1.32 0.00 0.00 0.36 0.00 0.00 54.97 57.14 2k4z s GLU 22 Cb 0.39 -4.12 0.00 0.00 0.26 0.00 0.00 34.13 30.66 2k4z s GLU 22 CO 0.12 -1.68 0.00 0.41 -0.54 0.00 0.00 175.26 173.57 2k4z n GLY 23 N 5.21 0.73 3.68 -1.50 0.00 -1.26 -5.03 105.19 107.02 2k4z n GLY 23 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.51 4.21 0.19 1.61 -1.94 -0.46 -4.89 119.30 117.50 2k4z s MET 24 Ca 0.00 0.26 -0.13 0.00 -1.71 0.00 0.00 55.69 54.11 2k4z s MET 24 Cb 0.00 -3.52 -0.07 0.00 2.01 0.00 0.00 34.83 33.25 2k4z s MET 24 CO 0.00 -0.00 0.57 0.00 -0.01 0.00 0.00 175.02 175.58 2k4z s LEU 26 N -2.29 3.87 -0.26 0.00 2.96 -1.12 -0.21 118.68 121.63 2k4z s LEU 26 Ca 0.42 -0.32 -0.11 0.00 -0.22 0.00 0.00 54.13 53.91 2k4z s LEU 26 Cb -0.14 -2.84 -0.05 0.00 0.50 0.00 0.00 46.19 43.67 2k4z s LEU 26 CO 0.20 -1.38 0.17 -0.60 -1.32 0.00 0.00 176.35 173.42 2k4z s ARG 27 N 4.41 4.00 -0.02 1.98 3.52 0.63 -0.44 118.95 133.02 2k4z s ARG 27 Ca 0.33 -0.30 -0.15 0.00 -0.13 0.00 0.00 55.73 55.47 2k4z s ARG 27 Cb -0.11 -3.59 -0.05 0.00 -1.56 0.00 0.00 34.95 29.64 2k4z s ARG 27 CO 0.19 -0.06 0.42 -0.51 -0.81 0.00 0.00 175.30 174.53 2k4z s LEU 28 N 1.41 4.44 0.13 -0.88 1.43 -0.78 -1.63 118.68 122.81 2k4z s LEU 28 Ca 0.07 0.94 0.04 0.00 -1.03 0.00 0.00 54.13 54.16 2k4z s LEU 28 Cb -0.15 -2.61 -0.04 0.00 0.03 0.00 0.00 46.19 43.42 2k4z s LEU 28 CO 0.08 0.27 -0.11 0.00 0.23 0.00 0.00 176.35 176.82 2k4z s ALA 29 N -0.78 1.36 -0.07 4.21 0.00 0.23 -4.27 121.76 122.44 2k4z s ALA 29 Ca 0.24 -1.38 -0.04 0.00 0.00 0.00 0.00 51.96 50.78 2k4z s ALA 29 Cb -0.16 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.02 2k4z s ALA 29 CO 0.13 -0.06 0.17 0.00 0.00 0.00 0.00 175.76 176.00 2k4z s ALA 30 N -2.95 -0.35 0.13 0.00 0.00 -1.26 -0.06 121.76 117.27 2k4z s ALA 30 Ca 0.13 0.67 0.01 0.00 0.00 0.00 0.00 51.96 52.76 2k4z s ALA 30 Cb 0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 23.12 22.69 2k4z s ALA 30 CO 0.01 -0.14 0.02 0.41 0.00 0.00 0.00 175.76 176.06 2k4z n GLY 31 N 3.87 3.93 2.64 0.00 0.00 -0.88 -4.91 105.19 109.84 2k4z n GLY 31 Ca -0.22 -2.11 -0.29 0.00 0.00 0.00 0.00 46.02 43.39 2k4z n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k4z s ARG 32 N -2.50 0.53 -0.06 1.61 0.52 -1.26 -0.57 118.95 117.22 2k4z s ARG 32 Ca 0.03 -0.93 -0.02 0.00 -0.52 0.00 0.00 55.73 54.29 2k4z s ARG 32 Cb 0.00 -1.65 -0.04 0.00 0.52 0.00 0.00 34.95 33.79 2k4z s ARG 32 CO 0.02 -1.02 0.07 0.54 0.02 0.00 0.00 175.30 174.93 2k4z s ASN 33 N 1.71 5.68 0.53 0.23 2.20 -1.21 -4.96 114.94 119.12 2k4z s ASN 33 Ca 0.10 0.22 0.36 0.00 -0.94 0.00 0.00 52.86 52.60 2k4z s ASN 33 Cb -0.17 -1.67 1.78 0.00 -2.00 0.00 0.00 41.25 39.18 2k4z s ASN 33 CO -0.27 0.34 2.08 -0.65 -2.94 0.00 0.00 177.10 175.66 2k4z h PRO 34 N 4.65 0.00 -0.50 3.55 0.11 -2.00 -2.29 132.00 135.52 2k4z h PRO 34 Ca -0.51 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.50 2k4z h PRO 34 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 2k4z h PRO 34 CO 0.59 0.00 -0.10 -0.44 -0.21 0.00 0.00 178.00 177.84 2k4z h ASP 35 N 0.00 0.91 0.00 -2.05 3.32 -2.03 -3.43 116.42 113.13 2k4z h ASP 35 Ca 0.00 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.77 2k4z h ASP 35 Cb 0.18 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.48 2k4z h ASP 35 CO 0.00 1.02 0.00 0.61 -1.72 0.00 0.00 179.24 179.15 2k4z n GLY 36 N -0.37 0.54 0.55 2.75 0.00 -0.91 -5.11 105.19 102.65 2k4z n GLY 36 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2k4z n GLY 36 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k4z n SER 37 N 0.00 -0.78 -3.95 1.61 2.88 -0.92 -4.97 113.62 107.49 2k4z n SER 37 Ca 0.00 0.42 -0.23 0.00 -1.33 0.00 0.00 58.87 57.74 2k4z n SER 37 Cb 0.00 1.02 -0.17 0.00 -0.75 0.00 0.00 64.21 64.31 2k4z n SER 37 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2k4z s ILE 38 N -1.69 0.84 0.04 2.46 1.01 -1.26 -3.32 121.20 119.28 2k4z s ILE 38 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.37 2k4z s ILE 38 Cb 0.00 -0.82 -0.04 0.00 0.01 0.00 0.00 42.46 41.62 2k4z s ILE 38 CO 0.00 0.30 0.13 1.51 0.00 0.00 0.00 174.94 176.87 2k4z s ASP 39 N 0.90 5.89 -0.32 3.58 1.47 0.26 -4.93 116.67 123.52 2k4z s ASP 39 Ca -0.11 0.15 -0.01 0.00 1.18 0.00 0.00 52.55 53.76 2k4z s ASP 39 Cb -0.15 -1.71 0.07 0.00 -0.34 0.00 0.00 42.92 40.79 2k4z s ASP 39 CO 0.01 0.21 0.04 -0.31 0.68 0.00 0.00 175.17 175.80 2k4z s TYR 40 N -1.36 3.40 -0.19 2.11 1.51 -1.26 -2.08 117.35 119.48 2k4z s TYR 40 Ca 0.29 -2.18 -0.07 0.00 -1.01 0.00 0.00 57.07 54.09 2k4z s TYR 40 Cb -0.12 -2.44 -0.04 0.00 -0.11 0.00 0.00 41.96 39.25 2k4z s TYR 40 CO 0.21 -0.87 0.07 1.03 -1.11 0.00 0.00 175.55 174.88 2k4z s ARG 41 N 1.17 3.95 -0.37 -0.62 0.52 0.91 -4.99 118.95 119.51 2k4z s ARG 41 Ca -0.01 -0.36 -0.09 0.00 -0.52 0.00 0.00 55.73 54.76 2k4z s ARG 41 Cb -0.20 -3.23 0.04 0.00 0.52 0.00 0.00 34.95 32.07 2k4z s ARG 41 CO -0.03 0.22 0.18 -1.64 0.02 0.00 0.00 175.30 174.06 2k4z s MET 42 N 0.51 2.71 -0.04 3.54 -1.94 -1.26 -0.60 119.30 122.22 2k4z s MET 42 Ca 0.03 -1.19 0.06 0.00 -1.71 0.00 0.00 55.69 52.88 2k4z s MET 42 Cb -0.13 -3.66 -0.02 0.00 2.01 0.00 0.00 34.83 33.04 2k4z s MET 42 CO 0.01 -0.74 -0.21 0.20 -0.01 0.00 0.00 175.02 174.26 2k4z s GLY 43 N 1.61 1.37 -0.26 -0.03 0.00 -0.64 -5.00 107.32 104.37 2k4z s GLY 43 Ca 0.01 -1.05 -0.23 0.00 0.00 0.00 0.00 44.72 43.45 2k4z s GLY 43 CO 0.05 -0.78 0.75 -1.36 0.00 0.00 0.00 173.10 171.75 2k4z s PHE 44 N -0.50 3.28 0.00 1.90 0.08 -1.26 -0.27 117.98 121.21 2k4z s PHE 44 Ca 0.06 0.97 0.00 0.00 0.12 0.00 0.00 56.93 58.08 2k4z s PHE 44 Cb -0.11 -2.99 0.00 0.00 -0.57 0.00 0.00 43.02 39.35 2k4z s PHE 44 CO 0.01 -0.39 0.00 -3.47 -0.10 0.00 0.00 175.22 171.26 2k4z n ASP 45 N 5.92 0.00 -4.92 1.36 2.03 0.70 -4.89 116.55 116.74 2k4z n ASP 45 Ca 0.03 -0.43 -0.26 0.00 0.52 0.00 0.00 54.79 54.65 2k4z n ASP 45 Cb 0.48 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.95 2k4z n ASP 45 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 2k4z s ASP 46 N 0.30 4.80 -0.34 1.67 -4.77 -1.26 0.31 116.67 117.38 2k4z s ASP 46 Ca 0.00 0.52 -0.17 0.00 -3.30 0.00 0.00 52.55 49.60 2k4z s ASP 46 Cb 0.00 -1.16 -0.01 0.00 -1.09 0.00 0.00 42.92 40.67 2k4z s ASP 46 CO 0.00 -1.63 0.47 -0.22 0.70 0.00 0.00 175.17 174.49 2k4z s LEU 47 N -5.29 4.34 -0.22 2.11 0.20 -1.26 -4.66 118.68 113.90 2k4z s LEU 47 Ca 0.60 -0.04 -0.07 0.00 0.69 0.00 0.00 54.13 55.31 2k4z s LEU 47 Cb -0.11 -2.52 -0.03 0.00 -0.43 0.00 0.00 46.19 43.10 2k4z s LEU 47 CO 0.45 -0.42 0.07 -0.89 -0.29 0.00 0.00 176.35 175.27 2k4z s THR 48 N 2.28 4.49 0.29 3.68 2.01 -1.26 -4.98 115.64 122.16 2k4z s THR 48 Ca 0.17 -0.12 0.18 0.00 0.31 0.00 0.00 61.69 62.22 2k4z s THR 48 Cb -0.16 -3.07 0.14 0.00 0.01 0.00 0.00 72.50 69.42 2k4z s THR 48 CO 0.12 0.38 1.82 -0.33 -0.69 0.00 0.00 174.62 175.93 2k4z h GLU 49 N 7.63 0.00 -0.07 4.92 3.07 -2.01 -2.68 114.58 125.45 2k4z h GLU 49 Ca -0.37 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.42 2k4z h GLU 49 Cb 1.18 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.07 2k4z h GLU 49 CO 0.62 0.34 -0.30 0.22 -1.40 0.00 0.00 179.01 178.49 2k4z h ASP 50 N 0.00 0.13 -4.24 1.42 3.58 -2.00 -3.44 116.42 111.88 2k4z h ASP 50 Ca -0.00 -0.04 -0.51 0.00 0.42 0.00 0.00 57.03 56.89 2k4z h ASP 50 Cb 0.72 -0.04 0.11 0.00 1.72 0.00 0.00 39.33 41.85 2k4z h ASP 50 CO 0.04 0.43 0.36 -1.81 -2.88 0.00 0.00 179.24 175.38 2k4z s ASP 51 N -6.91 4.87 -0.06 2.28 1.11 -1.01 -4.90 116.67 112.05 2k4z s ASP 51 Ca -0.04 1.96 -0.30 0.00 0.18 0.00 0.00 52.55 54.35 2k4z s ASP 51 Cb 0.14 -2.54 -0.05 0.00 1.07 0.00 0.00 42.92 41.54 2k4z s ASP 51 CO 0.74 -1.79 1.53 -0.63 1.18 0.00 0.00 175.17 176.20 2k4z s ILE 52 N -2.51 3.73 -0.22 0.77 1.01 0.13 -4.71 121.20 119.40 2k4z s ILE 52 Ca 0.65 0.93 -0.24 0.00 0.00 0.00 0.00 60.65 62.00 2k4z s ILE 52 Cb -0.20 -3.60 -0.01 0.00 0.01 0.00 0.00 42.46 38.66 2k4z s ILE 52 CO 0.46 -0.07 0.79 -0.13 0.00 0.00 0.00 174.94 176.00 2k4z s ARG 53 N 3.61 4.22 -0.32 2.79 1.81 -1.26 -0.77 118.95 129.02 2k4z s ARG 53 Ca 0.68 0.90 0.02 0.00 -1.72 0.00 0.00 55.73 55.61 2k4z s ARG 53 Cb -0.31 -3.62 0.10 0.00 -0.45 0.00 0.00 34.95 30.67 2k4z s ARG 53 CO 0.26 -0.42 0.06 -0.51 -0.68 0.00 0.00 175.30 174.01 2k4z s LEU 54 N 2.50 3.56 -0.29 2.53 1.43 0.89 -4.62 118.68 124.68 2k4z s LEU 54 Ca 0.34 -1.87 -0.19 0.00 -1.03 0.00 0.00 54.13 51.39 2k4z s LEU 54 Cb -0.16 -1.28 -0.02 0.00 0.03 0.00 0.00 46.19 44.77 2k4z s LEU 54 CO 0.09 -0.38 0.55 -0.89 0.23 0.00 0.00 176.35 175.95 2k4z s THR 55 N 1.24 5.02 0.00 5.49 2.01 -1.26 -0.63 115.64 127.50 2k4z s THR 55 Ca 0.09 0.79 0.00 0.00 0.31 0.00 0.00 61.69 62.88 2k4z s THR 55 Cb -0.18 -3.90 0.00 0.00 0.01 0.00 0.00 72.50 68.43 2k4z s THR 55 CO -0.15 -0.03 0.00 -1.54 -0.69 0.00 0.00 174.62 172.21 2k4z n SER 56 N 5.67 0.00 -0.02 3.53 3.41 -0.69 -4.98 113.62 120.54 2k4z n SER 56 Ca -0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.46 2k4z n SER 56 Cb 0.49 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.38 2k4z n SER 56 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2k4z h GLU 57 N 0.00 0.15 0.00 4.33 5.08 -1.97 -3.40 114.58 118.77 2k4z h GLU 57 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2k4z h GLU 57 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2k4z h GLU 57 CO 0.00 0.28 0.00 0.41 -1.00 0.00 0.00 179.01 178.70 2k4z n GLY 58 N -0.64 -1.16 3.23 -3.84 0.00 -1.26 -5.07 105.19 96.46 2k4z n GLY 58 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 3.00 -0.34 1.61 1.01 -1.26 -5.01 120.40 119.40 2k4z s VAL 59 Ca 0.00 -0.83 -0.27 0.00 0.00 0.00 0.00 61.98 60.88 2k4z s VAL 59 Cb 0.00 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.95 2k4z s VAL 59 CO 0.00 0.30 0.97 -0.70 0.00 0.00 0.00 175.10 175.67 2k4z s GLU 60 N 1.38 3.96 -0.13 2.72 2.56 -1.26 -1.71 118.70 126.22 2k4z s GLU 60 Ca 0.03 0.80 -0.04 0.00 0.00 0.00 0.00 54.97 55.75 2k4z s GLU 60 Cb -0.15 -3.76 -0.03 0.00 2.00 0.00 0.00 34.13 32.18 2k4z s GLU 60 CO -0.05 -0.88 0.02 0.42 -0.56 0.00 0.00 175.26 174.21 2k4z s ILE 61 N 3.46 4.42 -0.12 -3.70 1.01 0.20 -2.78 121.20 123.68 2k4z s ILE 61 Ca 0.40 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.89 2k4z s ILE 61 Cb -0.12 -2.92 0.01 0.00 0.01 0.00 0.00 42.46 39.44 2k4z s ILE 61 CO 0.16 0.54 -0.21 0.68 0.00 0.00 0.00 174.94 176.11 2k4z s VAL 62 N -0.25 1.93 -0.20 2.92 -7.23 0.41 -0.08 120.40 117.89 2k4z s VAL 62 Ca 0.06 -0.91 0.00 0.00 -1.81 0.00 0.00 61.98 59.32 2k4z s VAL 62 Cb -0.12 -1.70 0.02 0.00 0.56 0.00 0.00 36.38 35.14 2k4z s VAL 62 CO 0.02 0.53 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.55 2k4z s ILE 63 N 0.71 2.35 0.31 -0.62 1.01 0.05 -1.86 121.20 123.15 2k4z s ILE 63 Ca -0.10 -0.96 -0.29 0.00 0.00 0.00 0.00 60.65 59.29 2k4z s ILE 63 Cb -0.16 -2.07 -0.10 0.00 0.01 0.00 0.00 42.46 40.14 2k4z s ILE 63 CO 0.01 0.42 1.34 0.00 0.00 0.00 0.00 174.94 176.72 2k4z s ALA 64 N 1.30 3.53 0.66 9.38 0.00 -1.26 0.19 121.76 135.56 2k4z s ALA 64 Ca 0.03 1.27 0.29 0.00 0.00 0.00 0.00 51.96 53.55 2k4z s ALA 64 Cb -0.14 -3.50 1.58 0.00 0.00 0.00 0.00 23.12 21.06 2k4z s ALA 64 CO -0.10 -0.67 1.90 -1.35 0.00 0.00 0.00 175.76 175.55 2k4z h PRO 65 N 3.84 0.00 -0.60 0.00 0.11 -1.97 0.32 132.00 133.71 2k4z h PRO 65 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2k4z h PRO 65 Cb 1.22 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 2k4z h PRO 65 CO 0.69 0.00 0.33 -0.44 -0.21 0.00 0.00 178.00 178.36 2k4z h ASP 66 N 0.00 0.76 0.00 -2.05 5.19 -1.98 -3.32 116.42 115.01 2k4z h ASP 66 Ca 0.02 -0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 2k4z h ASP 66 Cb 0.75 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 40.06 2k4z h ASP 66 CO -0.00 0.64 -1.67 -1.22 -3.12 0.00 0.00 179.24 173.86 2k4z n TYR 67 N -4.57 0.00 0.08 4.55 4.01 0.06 -4.31 117.16 116.98 2k4z n TYR 67 Ca 0.04 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.95 2k4z n TYR 67 Cb 0.09 -0.35 0.70 0.00 -0.31 0.00 0.00 39.34 39.47 2k4z n TYR 67 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 2k4z h VAL 68 N 0.00 0.75 0.00 -0.72 3.04 -1.53 -0.27 116.25 117.52 2k4z h VAL 68 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2k4z h VAL 68 Cb 0.79 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 30.87 2k4z h VAL 68 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.57 175.36 2k4z n SER 69 N -4.33 0.37 0.00 3.17 7.64 -1.26 -2.39 113.62 116.81 2k4z n SER 69 Ca 0.06 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.56 2k4z n SER 69 Cb 0.47 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 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 -1.94 0.00 0.02 -3.43 4.77 -0.15 -4.74 117.00 111.54 2k4z n LEU 70 Ca 0.01 -0.40 0.11 0.00 -0.03 0.00 0.00 56.01 55.71 2k4z n LEU 70 Cb 0.13 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 2k4z n LEU 70 CO 0.13 0.00 -0.14 0.18 -1.33 0.00 0.00 177.39 176.23 2k4z n LEU 71 N -1.08 0.57 -4.79 2.23 4.77 -1.01 -4.92 117.00 112.77 2k4z n LEU 71 Ca 0.00 -0.05 -0.34 0.00 -0.03 0.00 0.00 56.01 55.59 2k4z n LEU 71 Cb 0.00 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 2k4z n LEU 71 CO 0.00 0.04 0.74 -0.62 -1.33 0.00 0.00 177.39 176.22 2k4z s ASP 72 N -4.02 6.09 -1.66 -1.43 2.15 -1.18 -3.23 116.67 113.39 2k4z s ASP 72 Ca 0.02 2.02 0.00 0.00 0.43 0.00 0.00 52.55 55.01 2k4z s ASP 72 Cb 0.14 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 2k4z s ASP 72 CO 0.83 -0.96 0.00 0.00 -0.17 0.00 0.00 175.17 174.87 2k4z n GLN 73 N -1.13 -1.15 -3.89 4.34 6.02 -1.25 -4.86 117.38 115.45 2k4z n GLN 73 Ca 0.10 1.02 -0.35 0.00 -0.01 0.00 0.00 57.00 57.76 2k4z n GLN 73 Cb 0.52 -5.24 -0.10 0.00 1.02 0.00 0.00 30.24 26.44 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 -2.64 4.82 -0.20 5.09 2.01 -1.20 -4.43 115.64 119.10 2k4z s THR 74 Ca 0.00 -0.02 -0.14 0.00 0.31 0.00 0.00 61.69 61.84 2k4z s THR 74 Cb 0.00 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 2k4z s THR 74 CO 0.00 0.41 0.33 -0.89 -0.69 0.00 0.00 174.62 173.78 2k4z s THR 75 N 0.75 5.26 -0.24 -0.82 2.01 0.07 -1.81 115.64 120.86 2k4z s THR 75 Ca 0.04 0.57 -0.07 0.00 0.31 0.00 0.00 61.69 62.55 2k4z s THR 75 Cb -0.13 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 2k4z s THR 75 CO 0.02 0.30 0.06 -0.22 -0.69 0.00 0.00 174.62 174.09 2k4z s LEU 76 N 1.04 3.40 0.13 4.42 2.96 0.54 -0.22 118.68 130.95 2k4z s LEU 76 Ca 0.16 -0.21 -0.05 0.00 -0.22 0.00 0.00 54.13 53.81 2k4z s LEU 76 Cb -0.14 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 2k4z s LEU 76 CO 0.06 -0.02 0.15 -0.62 -1.32 0.00 0.00 176.35 174.60 2k4z s ASP 77 N 1.52 0.20 -0.05 3.68 2.15 -1.00 -1.91 116.67 121.27 2k4z s ASP 77 Ca 0.06 -1.00 0.04 0.00 0.43 0.00 0.00 52.55 52.08 2k4z s ASP 77 Cb -0.15 0.35 -0.02 0.00 -0.30 0.00 0.00 42.92 42.80 2k4z s ASP 77 CO 0.03 -0.78 -0.18 -0.72 -0.17 0.00 0.00 175.17 173.35 2k4z s TYR 78 N -3.99 2.60 0.20 -5.34 1.13 -1.26 0.11 117.35 110.80 2k4z s TYR 78 Ca 0.18 -0.35 0.03 0.00 -1.41 0.00 0.00 57.07 55.52 2k4z s TYR 78 Cb 0.06 -1.62 -0.05 0.00 -1.10 0.00 0.00 41.96 39.25 2k4z s TYR 78 CO -0.01 0.04 -0.00 0.14 -2.51 0.00 0.00 175.55 173.20 2k4z s VAL 79 N -0.51 0.87 -0.80 -3.49 -7.23 -0.08 -4.92 120.40 104.24 2k4z s VAL 79 Ca 0.07 -2.01 -0.15 0.00 -1.81 0.00 0.00 61.98 58.08 2k4z s VAL 79 Cb -0.11 -2.23 0.20 0.00 0.56 0.00 0.00 36.38 34.80 2k4z s VAL 79 CO 0.01 -0.40 0.77 -1.61 -0.31 0.00 0.00 175.10 173.56 2k4z s GLU 80 N -3.88 3.52 0.36 4.82 8.01 -1.26 -1.31 118.70 128.95 2k4z s GLU 80 Ca 0.26 -2.28 0.14 0.00 0.01 0.00 0.00 54.97 53.10 2k4z s GLU 80 Cb 0.06 -4.46 0.67 0.00 -4.31 0.00 0.00 34.13 26.09 2k4z s GLU 80 CO 0.06 -1.35 1.78 -0.07 0.01 0.00 0.00 175.26 175.69 2k4z h LEU 81 N 8.22 0.00 -7.40 1.80 3.38 -1.90 -3.41 115.31 116.00 2k4z h LEU 81 Ca 0.05 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.65 2k4z h LEU 81 Cb 1.05 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 41.42 2k4z h LEU 81 CO 0.83 0.42 -0.75 -1.61 0.09 0.00 0.00 178.44 177.42 2k4z s GLU 82 N -3.99 0.14 -0.32 1.13 2.02 -1.26 -5.10 118.70 111.31 2k4z s GLU 82 Ca -0.02 0.26 -0.37 0.00 0.02 0.00 0.00 54.97 54.86 2k4z s GLU 82 Cb 0.14 -0.60 -0.13 0.00 0.10 0.00 0.00 34.13 33.64 2k4z s GLU 82 CO 0.72 -0.29 2.05 -0.35 0.02 0.00 0.00 175.26 177.42 2k4z n PRO 83 N 5.03 1.10 0.00 0.39 -0.04 -1.26 -0.59 135.00 139.63 2k4z n PRO 83 Ca -0.09 0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2k4z n PRO 83 Cb 0.50 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 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 5.88 3.14 3.41 0.55 0.00 -1.26 -5.02 105.19 111.89 2k4z n GLY 84 Ca 0.37 -1.04 -0.44 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 3.15 0.11 1.61 2.00 0.25 -5.02 119.66 121.75 2k4z s GLN 85 Ca 0.00 -1.26 -0.30 0.00 -2.00 0.00 0.00 55.36 51.80 2k4z s GLN 85 Cb 0.00 -4.33 -0.06 0.00 0.80 0.00 0.00 33.01 29.41 2k4z s GLN 85 CO 0.00 -1.65 1.11 -0.06 -0.50 0.00 0.00 175.29 174.20 2k4z s PHE 86 N 3.02 3.56 -0.07 1.67 0.08 -1.26 -4.09 117.98 120.88 2k4z s PHE 86 Ca 0.17 1.52 0.01 0.00 0.12 0.00 0.00 56.93 58.75 2k4z s PHE 86 Cb -0.19 -3.29 0.02 0.00 -0.57 0.00 0.00 43.02 38.98 2k4z s PHE 86 CO 0.05 -0.72 -0.07 -1.58 -0.10 0.00 0.00 175.22 172.79 2k4z s HIS 87 N 0.38 1.17 0.24 0.36 5.65 -0.43 -4.97 115.29 117.70 2k4z s HIS 87 Ca 0.53 -0.45 -0.30 0.00 0.25 0.00 0.00 55.06 55.09 2k4z s HIS 87 Cb -0.28 -0.96 -0.09 0.00 -1.18 0.00 0.00 32.58 30.07 2k4z s HIS 87 CO 0.32 -0.32 1.08 -0.06 -0.65 0.00 0.00 174.74 175.11 2k4z s PHE 88 N 1.15 3.63 0.06 3.88 0.08 -1.26 -0.91 117.98 124.62 2k4z s PHE 88 Ca -0.06 1.69 0.06 0.00 0.12 0.00 0.00 56.93 58.74 2k4z s PHE 88 Cb -0.14 -3.25 -0.03 0.00 -0.57 0.00 0.00 43.02 39.04 2k4z s PHE 88 CO -0.01 -0.45 -0.18 0.96 -0.10 0.00 0.00 175.22 175.44 2k4z s ILE 89 N -0.87 1.41 -0.36 0.64 -4.36 0.12 -4.93 121.20 112.85 2k4z s ILE 89 Ca 0.46 -1.24 -0.09 0.00 -0.26 0.00 0.00 60.65 59.52 2k4z s ILE 89 Cb -0.30 -1.28 0.04 0.00 1.25 0.00 0.00 42.46 42.17 2k4z s ILE 89 CO 0.38 0.01 0.17 -0.36 0.24 0.00 0.00 174.94 175.37 2k4z s PHE 90 N -0.98 3.26 -0.76 1.37 0.08 -1.26 -2.36 117.98 117.32 2k4z s PHE 90 Ca 0.04 -1.19 -0.19 0.00 0.12 0.00 0.00 56.93 55.71 2k4z s PHE 90 Cb -0.09 -2.41 0.12 0.00 -0.57 0.00 0.00 43.02 40.08 2k4z s PHE 90 CO 0.02 -0.70 0.92 -0.51 -0.10 0.00 0.00 175.22 174.86 2k4z s LEU 91 N 1.48 5.25 -0.65 -0.37 1.43 0.70 -4.92 118.68 121.60 2k4z s LEU 91 Ca 0.01 -1.75 0.02 0.00 -1.03 0.00 0.00 54.13 51.38 2k4z s LEU 91 Cb -0.20 -2.35 0.16 0.00 0.03 0.00 0.00 46.19 43.84 2k4z s LEU 91 CO 0.05 -1.09 0.44 0.54 0.23 0.00 0.00 176.35 176.52 2k4z s ASN 92 N 3.45 4.88 0.00 2.29 4.22 -1.26 -0.75 114.94 127.77 2k4z s ASN 92 Ca 0.22 -3.35 0.21 0.00 -2.14 0.00 0.00 52.86 47.80 2k4z s ASN 92 Cb -0.14 -1.72 1.10 0.00 1.28 0.00 0.00 41.25 41.78 2k4z s ASN 92 CO -0.01 -0.20 1.65 -2.65 -2.04 0.00 0.00 177.10 173.85 2k4z n PRO 93 N 2.70 0.39 0.10 3.55 -0.02 -1.26 -2.68 135.00 137.78 2k4z n PRO 93 Ca 0.12 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 2k4z n PRO 93 Cb 0.35 -1.50 0.30 0.00 -0.02 0.00 0.00 33.50 32.63 2k4z n PRO 93 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2k4z h ARG 94 N 0.00 0.25 -5.67 -0.52 2.43 -1.89 -3.33 114.38 105.66 2k4z h ARG 94 Ca 0.00 -0.09 -0.60 0.00 -0.81 0.00 0.00 59.98 58.49 2k4z h ARG 94 Cb 0.14 -0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 29.57 2k4z h ARG 94 CO 0.00 0.50 0.17 0.34 -1.51 0.00 0.00 179.97 179.48 2k4z s ASP 95 N -6.87 6.70 -0.79 -3.80 2.15 -1.09 -4.91 116.67 108.05 2k4z s ASP 95 Ca -0.05 0.85 -0.07 0.00 0.43 0.00 0.00 52.55 53.71 2k4z s ASP 95 Cb 0.14 -2.36 -0.27 0.00 -0.30 0.00 0.00 42.92 40.13 2k4z s ASP 95 CO 0.75 -0.32 1.78 -2.65 -0.17 0.00 0.00 175.17 174.57 2k4z n PRO 96 N 5.24 0.00 -3.75 4.34 -0.02 -1.26 -4.86 135.00 134.69 2k4z n PRO 96 Ca -0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 2k4z n PRO 96 Cb 0.49 -0.87 -0.14 0.00 -0.02 0.00 0.00 33.50 32.97 2k4z n PRO 96 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2k4z s THR 97 N 0.00 -0.04 0.00 3.45 -4.23 -1.26 -5.02 115.64 108.54 2k4z s THR 97 Ca 1.05 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 61.70 2k4z s THR 97 Cb -0.68 -0.29 0.00 0.00 1.34 0.00 0.00 72.50 72.88 2k4z s THR 97 CO 0.45 0.06 0.00 -1.22 -0.54 0.00 0.00 174.62 173.37 2k4z n TYR 98 N 4.00 0.00 -3.77 3.99 4.01 -1.26 -4.25 117.16 119.89 2k4z n TYR 98 Ca -0.24 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.36 2k4z n TYR 98 Cb 0.53 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.41 2k4z n TYR 98 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2k4z s ARG 99 N 0.00 -0.02 0.61 -0.72 1.81 -1.26 -5.15 118.95 114.22 2k4z s ARG 99 Ca 0.00 0.22 -0.19 0.00 -1.72 0.00 0.00 55.73 54.04 2k4z s ARG 99 Cb 0.00 -0.24 -0.03 0.00 -0.45 0.00 0.00 34.95 34.23 2k4z s ARG 99 CO 0.00 -0.17 1.14 -2.30 -0.68 0.00 0.00 175.30 173.29 2k4z n PRO 100 N 4.19 1.08 -1.66 3.54 -0.02 -1.25 -4.81 135.00 136.08 2k4z n PRO 100 Ca -0.28 0.42 -0.16 0.00 -2.02 0.00 0.00 63.50 61.46 2k4z n PRO 100 Cb 0.50 -2.36 -0.07 0.00 -0.02 0.00 0.00 33.50 31.56 2k4z n PRO 100 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2k4z s PRO 101 N -3.00 1.77 -0.40 0.52 0.02 -1.26 -4.80 135.00 127.84 2k4z s PRO 101 Ca 0.78 0.32 -0.04 0.00 0.02 0.00 0.00 61.00 62.08 2k4z s PRO 101 Cb -0.40 -4.84 0.04 0.00 0.02 0.00 0.00 34.50 29.31 2k4z s PRO 101 CO 0.45 -4.28 2.81 0.43 -0.33 0.00 0.00 177.00 176.08 2k4z n SER 102 N 17.84 6.35 -1.29 2.53 7.64 -1.26 -4.03 113.62 141.40 2k4z n SER 102 Ca 0.45 -3.13 0.02 0.00 1.01 0.00 0.00 58.87 57.23 2k4z n SER 102 Cb 0.44 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 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 1.00 0.87 0.00 0.23 0.00 -1.26 -5.30 105.19 100.73 2k4z n GLY 103 Ca 0.47 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2k4z n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93