#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 0.05 3.10 3.03 0.00 -1.26 -5.10 105.19 105.01 2k4z n GLY -19 Ca 0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.00 0.03 0.13 1.61 1.04 -1.26 -4.78 113.70 106.48 2k4z s SER -18 Ca 0.00 -0.21 -0.18 0.00 0.48 0.00 0.00 55.95 56.03 2k4z s SER -18 Cb 0.00 0.20 -0.02 0.00 0.10 0.00 0.00 66.02 66.30 2k4z s SER -18 CO 0.00 -0.36 1.76 0.28 0.98 0.00 0.00 173.24 175.90 2k4z h SER -17 N 4.32 0.16 -3.63 7.02 0.02 -1.99 -3.38 113.55 116.07 2k4z h SER -17 Ca -0.31 0.01 -0.65 0.00 -0.84 0.00 0.00 61.79 60.01 2k4z h SER -17 Cb 1.19 -0.01 -0.15 0.00 0.14 0.00 0.00 62.40 63.57 2k4z h SER -17 CO 0.41 0.13 -0.13 -2.28 -1.14 0.00 0.00 176.83 173.81 2k4z s HIS -16 N -6.17 3.20 -1.27 3.45 5.65 -1.26 -4.99 115.29 113.89 2k4z s HIS -16 Ca -0.13 0.17 -0.19 0.00 0.25 0.00 0.00 55.06 55.16 2k4z s HIS -16 Cb 0.10 -2.81 0.06 0.00 -1.18 0.00 0.00 32.58 28.75 2k4z s HIS -16 CO 0.70 -0.47 1.72 -1.01 -0.65 0.00 0.00 174.74 175.03 2k4z s HIS -15 N 2.25 2.74 0.17 3.88 0.09 -1.26 -3.94 115.29 119.21 2k4z s HIS -15 Ca 0.16 -1.51 0.00 0.00 -0.00 0.00 0.00 55.06 53.71 2k4z s HIS -15 Cb -0.16 -4.74 0.00 0.00 -0.00 0.00 0.00 32.58 27.68 2k4z s HIS -15 CO 0.12 -1.81 0.00 1.58 -0.00 0.00 0.00 174.74 174.64 2k4z n HIS -14 N 8.58 -2.87 -3.41 1.40 -0.00 -1.26 -5.10 115.22 112.57 2k4z n HIS -14 Ca 0.48 0.58 -0.38 0.00 0.46 0.00 0.00 57.72 58.85 2k4z n HIS -14 Cb 0.46 1.67 -0.08 0.00 -0.12 0.00 0.00 29.99 31.93 2k4z n HIS -14 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2k4z s HIS -13 N -1.53 3.34 0.47 1.57 5.65 -1.25 -5.07 115.29 118.47 2k4z s HIS -13 Ca 0.00 0.54 0.05 0.00 0.25 0.00 0.00 55.06 55.90 2k4z s HIS -13 Cb 0.00 -2.52 -0.02 0.00 -1.18 0.00 0.00 32.58 28.86 2k4z s HIS -13 CO 0.00 -0.06 0.19 -1.01 -0.65 0.00 0.00 174.74 173.21 2k4z s HIS -12 N 1.50 2.14 0.44 3.88 4.02 -1.26 -4.83 115.29 121.18 2k4z s HIS -12 Ca 0.17 -0.75 0.07 0.00 1.02 0.00 0.00 55.06 55.57 2k4z s HIS -12 Cb -0.15 -1.85 -0.02 0.00 -1.02 0.00 0.00 32.58 29.54 2k4z s HIS -12 CO 0.08 0.02 0.31 -1.01 1.02 0.00 0.00 174.74 175.17 2k4z s HIS -11 N -2.72 2.43 0.08 1.40 4.02 -1.26 -5.10 115.29 114.14 2k4z s HIS -11 Ca 0.30 -0.61 -0.27 0.00 1.02 0.00 0.00 55.06 55.51 2k4z s HIS -11 Cb 0.02 -2.04 0.08 0.00 -1.02 0.00 0.00 32.58 29.62 2k4z s HIS -11 CO 0.17 -0.09 0.96 0.45 1.02 0.00 0.00 174.74 177.25 2k4z s SER -10 N -4.08 -0.24 0.12 1.40 0.15 -1.26 -5.01 113.70 104.78 2k4z s SER -10 Ca 0.42 -0.23 0.21 0.00 0.70 0.00 0.00 55.95 57.05 2k4z s SER -10 Cb -0.00 0.42 0.85 0.00 -1.71 0.00 0.00 66.02 65.58 2k4z s SER -10 CO 0.24 -0.75 1.65 -0.24 1.20 0.00 0.00 173.24 175.34 2k4z n SER -9 N -0.38 0.34 0.13 5.45 2.88 -1.26 -1.64 113.62 119.13 2k4z n SER -9 Ca -0.07 0.57 0.01 0.00 -1.33 0.00 0.00 58.87 58.04 2k4z n SER -9 Cb 0.61 -0.65 0.04 0.00 -0.75 0.00 0.00 64.21 63.47 2k4z n SER -9 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2k4z h GLY -8 N 2.98 0.00 -7.26 0.46 0.00 -1.98 -3.37 103.07 93.90 2k4z h GLY -8 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 2k4z h GLY -8 CO 0.00 0.00 0.77 1.08 0.00 0.00 0.00 176.54 178.39 2k4z s LEU -7 N -6.63 3.83 -0.18 3.11 1.43 -0.65 -4.29 118.68 115.30 2k4z s LEU -7 Ca 0.03 -0.66 -0.00 0.00 -1.03 0.00 0.00 54.13 52.46 2k4z s LEU -7 Cb 0.09 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.75 2k4z s LEU -7 CO 0.75 -1.58 0.00 0.52 0.23 0.00 0.00 176.35 176.28 2k4z n VAL -6 N 6.17 -7.88 0.75 -1.59 0.31 -1.26 -4.74 118.33 110.08 2k4z n VAL -6 Ca -0.00 1.08 0.08 0.00 -0.01 0.00 0.00 64.34 65.49 2k4z n VAL -6 Cb 0.47 -5.72 0.39 0.00 -0.91 0.00 0.00 33.84 28.07 2k4z n VAL -6 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2k4z n PRO -5 N 0.41 0.24 0.04 5.55 -0.02 -1.26 -2.94 135.00 137.02 2k4z n PRO -5 Ca 0.00 0.13 0.07 0.00 -2.02 0.00 0.00 63.50 61.68 2k4z n PRO -5 Cb 0.00 -1.50 0.30 0.00 -0.02 0.00 0.00 33.50 32.28 2k4z n PRO -5 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2k4z n ARG -4 N -1.26 0.05 -0.02 -0.52 1.74 -1.26 -1.32 116.66 114.07 2k4z n ARG -4 Ca 0.08 0.36 0.01 0.00 -0.77 0.00 0.00 57.85 57.53 2k4z n ARG -4 Cb 0.11 -1.60 0.06 0.00 -1.02 0.00 0.00 32.46 30.02 2k4z n ARG -4 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k4z n GLY -3 N -0.38 -0.81 3.57 -0.13 0.00 -1.15 -4.83 105.19 101.45 2k4z n GLY -3 Ca 0.02 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 2k4z n GLY -3 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k4z s SER -2 N -1.05 0.33 -0.19 1.61 1.04 -0.44 -4.98 113.70 110.02 2k4z s SER -2 Ca 0.05 -1.19 -0.09 0.00 0.48 0.00 0.00 55.95 55.20 2k4z s SER -2 Cb 0.03 0.65 0.04 0.00 0.10 0.00 0.00 66.02 66.83 2k4z s SER -2 CO 0.04 -1.27 0.19 1.41 0.98 0.00 0.00 173.24 174.59 2k4z n HIS -1 N -0.47 -3.96 -5.11 5.02 -0.00 -1.26 -4.99 115.22 104.46 2k4z n HIS -1 Ca -0.01 2.22 -0.32 0.00 -0.00 0.00 0.00 57.72 59.60 2k4z n HIS -1 Cb 0.62 -3.69 -0.16 0.00 -0.00 0.00 0.00 29.99 26.75 2k4z n HIS -1 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2k4z s MET 0 N -0.84 3.05 -0.22 -0.41 1.00 -1.26 -5.00 119.30 115.61 2k4z s MET 0 Ca -0.22 -0.83 0.10 0.00 0.00 0.00 0.00 55.69 54.74 2k4z s MET 0 Cb 0.01 -2.36 0.63 0.00 0.00 0.00 0.00 34.83 33.11 2k4z s MET 0 CO 0.71 0.23 1.54 -1.33 0.00 0.00 0.00 175.02 176.17 2k4z n MET 1 N 3.40 3.72 -2.21 2.03 2.81 -1.26 -4.88 117.12 120.74 2k4z n MET 1 Ca -0.19 -2.48 -0.43 0.00 -1.81 0.00 0.00 57.70 52.79 2k4z n MET 1 Cb 0.53 -2.08 -0.02 0.00 -0.71 0.00 0.00 33.22 30.93 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 -2.44 2.18 -0.52 2.03 5.36 -1.26 -2.55 117.98 120.77 2k4z s PHE 2 Ca 0.44 0.65 -0.19 0.00 -0.96 0.00 0.00 56.93 56.87 2k4z s PHE 2 Cb 0.34 -4.19 0.07 0.00 -0.34 0.00 0.00 43.02 38.90 2k4z s PHE 2 CO 0.12 -2.41 0.64 0.21 -1.46 0.00 0.00 175.22 172.31 2k4z s LYS 3 N 5.10 3.10 -0.18 10.12 2.20 0.84 -4.95 119.74 135.97 2k4z s LYS 3 Ca 0.69 -0.99 -0.06 0.00 -0.36 0.00 0.00 55.97 55.24 2k4z s LYS 3 Cb -0.18 -4.13 -0.04 0.00 -1.51 0.00 0.00 37.83 31.97 2k4z s LYS 3 CO 0.32 -1.28 0.04 -1.17 -0.36 0.00 0.00 175.35 172.89 2k4z s LEU 4 N 2.61 3.66 0.04 5.43 0.20 -1.26 0.23 118.68 129.59 2k4z s LEU 4 Ca 0.14 0.02 -0.30 0.00 0.69 0.00 0.00 54.13 54.67 2k4z s LEU 4 Cb -0.20 -1.92 -0.05 0.00 -0.43 0.00 0.00 46.19 43.59 2k4z s LEU 4 CO 0.11 0.17 1.13 0.42 -0.29 0.00 0.00 176.35 177.88 2k4z s THR 5 N 0.40 4.30 0.47 3.68 -4.23 -0.94 -4.92 115.64 114.41 2k4z s THR 5 Ca 0.01 1.66 0.24 0.00 -1.18 0.00 0.00 61.69 62.42 2k4z s THR 5 Cb -0.13 -4.06 0.42 0.00 1.34 0.00 0.00 72.50 70.07 2k4z s THR 5 CO 0.01 0.13 1.87 -0.65 -0.54 0.00 0.00 174.62 175.45 2k4z h PRO 6 N 6.77 0.21 -0.51 3.99 0.11 -1.97 0.13 132.00 140.72 2k4z h PRO 6 Ca -0.41 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.66 2k4z h PRO 6 Cb 1.22 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2k4z h PRO 6 CO 0.79 0.14 0.21 0.00 -0.21 0.00 0.00 178.00 178.93 2k4z h ALA 7 N 1.60 0.66 -0.12 -0.75 0.00 -1.98 -1.22 119.26 117.45 2k4z h ALA 7 Ca 0.44 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 55.01 2k4z h ALA 7 Cb 1.39 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2k4z h ALA 7 CO -0.10 0.26 -0.72 0.00 0.00 0.00 0.00 179.25 178.69 2k4z h ALA 8 N 1.06 0.52 -0.77 0.00 0.00 -1.26 -3.08 119.26 115.73 2k4z h ALA 8 Ca 0.17 -0.59 0.04 0.00 0.00 0.00 0.00 54.91 54.53 2k4z h ALA 8 Cb 0.18 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2k4z h ALA 8 CO -0.02 0.73 0.48 0.00 0.00 0.00 0.00 179.25 180.44 2k4z h ALA 9 N 0.82 1.02 -0.18 0.00 0.00 -0.63 -1.18 119.26 119.11 2k4z h ALA 9 Ca -0.03 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2k4z h ALA 9 Cb 1.31 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2k4z h ALA 9 CO 0.13 0.26 -0.19 0.93 0.00 0.00 0.00 179.25 180.38 2k4z h GLU 10 N 0.92 0.30 -0.17 0.00 4.39 -1.20 0.19 114.58 119.01 2k4z h GLU 10 Ca 0.32 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.88 2k4z h GLU 10 Cb 0.06 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2k4z h GLU 10 CO -0.13 0.49 -0.07 0.37 -1.16 0.00 0.00 179.01 178.51 2k4z h GLN 11 N 0.28 0.35 -0.55 2.33 4.15 -1.25 0.47 115.11 120.90 2k4z h GLN 11 Ca 0.05 -0.15 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 2k4z h GLN 11 Cb 0.50 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.16 2k4z h GLN 11 CO 0.03 0.65 0.29 0.28 -1.93 0.00 0.00 178.83 178.15 2k4z h VAL 12 N 0.04 1.19 -0.66 2.39 2.07 -0.96 -0.68 116.25 119.64 2k4z h VAL 12 Ca 0.04 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 2k4z h VAL 12 Cb 0.54 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 2k4z h VAL 12 CO 0.02 0.21 0.40 0.25 0.02 0.00 0.00 177.57 178.47 2k4z h LEU 13 N 0.74 0.79 -0.85 2.57 5.85 -0.55 -2.22 115.31 121.64 2k4z h LEU 13 Ca 0.19 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.76 2k4z h LEU 13 Cb 0.07 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 2k4z h LEU 13 CO -0.03 0.61 -0.11 0.50 -0.34 0.00 0.00 178.44 179.07 2k4z h LYS 14 N 0.89 0.73 -0.66 1.25 3.64 -0.55 0.20 116.57 122.08 2k4z h LYS 14 Ca 0.24 -0.24 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2k4z h LYS 14 Cb -0.03 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 2k4z h LYS 14 CO -0.04 0.82 0.34 0.00 -2.27 0.00 0.00 179.45 178.30 2k4z h ALA 15 N 1.21 0.85 -0.22 5.00 0.00 -0.73 -1.75 119.26 123.62 2k4z h ALA 15 Ca 0.11 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 2k4z h ALA 15 Cb 0.58 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2k4z h ALA 15 CO 0.04 0.38 -0.58 0.00 0.00 0.00 0.00 179.25 179.09 2k4z h ALA 16 N 1.16 0.37 -0.00 0.00 0.00 -1.11 -3.15 119.26 116.54 2k4z h ALA 16 Ca 0.23 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2k4z h ALA 16 Cb 0.07 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2k4z h ALA 16 CO -0.03 0.61 0.00 -0.22 0.00 0.00 0.00 179.25 179.61 2k4z h LYS 17 N 0.53 0.00 -0.73 0.00 1.63 -0.25 -0.66 116.57 117.09 2k4z h LYS 17 Ca -0.01 0.00 0.21 0.00 -0.85 0.00 0.00 60.65 60.00 2k4z h LYS 17 Cb 1.20 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.80 2k4z h LYS 17 CO 0.13 0.00 0.57 1.96 -3.45 0.00 0.00 179.45 178.66 2k4z h GLN 18 N 0.00 0.00 0.00 1.90 1.08 -1.28 -3.46 115.11 113.36 2k4z h GLN 18 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2k4z h GLN 18 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2k4z h GLN 18 CO -0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 2k4z n GLY 19 N -1.65 1.92 0.08 3.46 0.00 -0.30 -4.99 105.19 103.71 2k4z n GLY 19 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.04 -3.00 -0.02 0.00 -1.85 -3.35 103.07 94.81 2k4z h GLY 20 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2k4z h GLY 20 CO 0.00 -0.02 0.00 -1.30 0.00 0.00 0.00 176.54 175.22 2k4z n THR 21 N -4.72 1.81 -0.07 4.70 -2.24 -1.25 -4.41 114.28 108.09 2k4z n THR 21 Ca -0.07 -1.21 -0.10 0.00 -2.27 0.00 0.00 64.05 60.41 2k4z n THR 21 Cb 0.29 0.14 0.05 0.00 -2.10 0.00 0.00 70.33 68.71 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 4.03 0.76 -0.37 -0.78 4.81 -1.58 -2.46 114.58 119.00 2k4z h GLU 22 Ca 0.00 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 2k4z h GLU 22 Cb 1.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.81 2k4z h GLU 22 CO 0.22 1.01 0.00 0.41 -0.73 0.00 0.00 179.01 179.92 2k4z n GLY 23 N 0.02 0.04 0.00 1.92 0.00 -1.26 -4.79 105.19 101.12 2k4z n GLY 23 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2k4z n GLY 23 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2k4z n MET 24 N -0.22 2.11 -4.08 1.61 2.81 -0.93 -5.04 117.12 113.38 2k4z n MET 24 Ca 0.02 0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.77 2k4z n MET 24 Cb 0.13 0.00 -0.12 0.00 -0.71 0.00 0.00 33.22 32.53 2k4z n MET 24 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2k4z s LEU 26 N -1.54 4.01 -0.17 0.00 2.96 -1.20 -2.62 118.68 120.12 2k4z s LEU 26 Ca -0.09 1.76 0.01 0.00 -0.22 0.00 0.00 54.13 55.59 2k4z s LEU 26 Cb -0.10 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.07 2k4z s LEU 26 CO 0.01 -1.14 -0.19 -0.60 -1.32 0.00 0.00 176.35 173.11 2k4z s ARG 27 N 4.43 3.07 -0.06 1.98 3.52 0.96 -0.56 118.95 132.28 2k4z s ARG 27 Ca 0.70 -0.81 -0.04 0.00 -0.13 0.00 0.00 55.73 55.45 2k4z s ARG 27 Cb -0.26 -2.57 -0.04 0.00 -1.56 0.00 0.00 34.95 30.52 2k4z s ARG 27 CO 0.28 -0.11 0.14 -0.51 -0.81 0.00 0.00 175.30 174.29 2k4z s LEU 28 N 1.07 4.27 0.13 -0.88 1.43 -1.23 -1.86 118.68 121.62 2k4z s LEU 28 Ca -0.01 0.36 0.10 0.00 -1.03 0.00 0.00 54.13 53.56 2k4z s LEU 28 Cb -0.14 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 2k4z s LEU 28 CO -0.06 0.34 -0.21 0.00 0.23 0.00 0.00 176.35 176.64 2k4z s ALA 29 N -1.15 2.60 0.05 4.21 0.00 0.55 -4.78 121.76 123.24 2k4z s ALA 29 Ca 0.20 -1.42 -0.04 0.00 0.00 0.00 0.00 51.96 50.70 2k4z s ALA 29 Cb -0.12 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 2k4z s ALA 29 CO 0.11 0.55 0.06 0.00 0.00 0.00 0.00 175.76 176.48 2k4z s ALA 30 N -1.20 0.14 0.00 0.00 0.00 -1.26 -0.30 121.76 119.15 2k4z s ALA 30 Ca 0.17 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.30 2k4z s ALA 30 Cb -0.10 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.32 2k4z s ALA 30 CO 0.09 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.89 2k4z n GLY 31 N 0.37 1.27 3.21 0.00 0.00 0.01 -4.94 105.19 105.10 2k4z n GLY 31 Ca -0.16 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.10 1.27 -0.01 1.61 0.52 -1.26 0.10 118.95 121.08 2k4z s ARG 32 Ca 0.00 -0.85 -0.08 0.00 -0.52 0.00 0.00 55.73 54.28 2k4z s ARG 32 Cb 0.00 -1.33 -0.05 0.00 0.52 0.00 0.00 34.95 34.09 2k4z s ARG 32 CO 0.00 0.34 0.28 -0.80 0.02 0.00 0.00 175.30 175.14 2k4z s ASN 33 N -1.07 6.54 0.60 0.23 0.01 0.52 -4.77 114.94 117.01 2k4z s ASN 33 Ca 0.06 0.64 0.29 0.00 -0.71 0.00 0.00 52.86 53.13 2k4z s ASN 33 Cb -0.08 -2.12 1.52 0.00 0.41 0.00 0.00 41.25 40.98 2k4z s ASN 33 CO 0.01 0.28 1.93 -0.65 -1.51 0.00 0.00 177.10 177.17 2k4z h PRO 34 N 4.24 0.00 -0.64 -0.60 0.11 -2.01 0.18 132.00 133.29 2k4z h PRO 34 Ca -0.51 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.66 2k4z h PRO 34 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 2k4z h PRO 34 CO 0.64 0.00 0.42 0.22 -0.21 0.00 0.00 178.00 179.07 2k4z h ASP 35 N 0.00 0.57 0.00 -2.05 3.58 -2.04 -3.46 116.42 113.02 2k4z h ASP 35 Ca 0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2k4z h ASP 35 Cb 1.00 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.92 2k4z h ASP 35 CO -0.00 0.37 0.00 0.61 -2.88 0.00 0.00 179.24 177.34 2k4z n GLY 36 N -1.47 1.70 3.86 -0.78 0.00 0.62 -5.11 105.19 104.02 2k4z n GLY 36 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 2k4z n GLY 36 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k4z s SER 37 N -2.00 6.62 0.17 1.61 1.04 -1.25 -4.85 113.70 115.04 2k4z s SER 37 Ca 0.00 1.19 -0.26 0.00 0.48 0.00 0.00 55.95 57.37 2k4z s SER 37 Cb 0.00 -2.34 -0.08 0.00 0.10 0.00 0.00 66.02 63.70 2k4z s SER 37 CO 0.00 -0.33 0.79 -0.63 0.98 0.00 0.00 173.24 174.05 2k4z s ILE 38 N -2.23 4.34 -0.16 -1.02 1.01 -1.26 -0.36 121.20 121.52 2k4z s ILE 38 Ca 0.52 1.74 -0.16 0.00 0.00 0.00 0.00 60.65 62.76 2k4z s ILE 38 Cb -0.10 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 2k4z s ILE 38 CO 0.26 0.52 0.39 -0.62 0.00 0.00 0.00 174.94 175.49 2k4z s ASP 39 N -1.14 6.52 -0.08 3.58 2.15 0.12 -4.82 116.67 123.00 2k4z s ASP 39 Ca 0.36 0.62 0.04 0.00 0.43 0.00 0.00 52.55 53.99 2k4z s ASP 39 Cb -0.23 -2.23 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 2k4z s ASP 39 CO 0.27 0.01 -0.20 -0.31 -0.17 0.00 0.00 175.17 174.77 2k4z s TYR 40 N 0.76 2.15 0.03 -5.34 2.02 -1.26 -0.81 117.35 114.89 2k4z s TYR 40 Ca 0.20 -0.82 0.03 0.00 -0.37 0.00 0.00 57.07 56.12 2k4z s TYR 40 Cb -0.14 -1.46 -0.02 0.00 -0.40 0.00 0.00 41.96 39.94 2k4z s TYR 40 CO 0.07 -0.34 -0.10 1.03 -1.57 0.00 0.00 175.55 174.64 2k4z s ARG 41 N 0.37 0.70 -0.01 -0.62 0.52 0.60 -4.99 118.95 115.51 2k4z s ARG 41 Ca -0.15 -0.64 0.08 0.00 -0.52 0.00 0.00 55.73 54.50 2k4z s ARG 41 Cb -0.16 -0.62 -0.02 0.00 0.52 0.00 0.00 34.95 34.66 2k4z s ARG 41 CO 0.06 0.15 -0.26 1.41 0.02 0.00 0.00 175.30 176.69 2k4z s MET 42 N -1.07 2.02 0.16 3.54 -2.45 -1.26 -0.33 119.30 119.90 2k4z s MET 42 Ca -0.02 -0.94 -0.24 0.00 -1.25 0.00 0.00 55.69 53.24 2k4z s MET 42 Cb -0.07 -1.99 0.07 0.00 1.25 0.00 0.00 34.83 34.09 2k4z s MET 42 CO 0.01 0.54 1.02 0.20 1.05 0.00 0.00 175.02 177.83 2k4z s GLY 43 N -0.69 -0.08 -0.23 2.11 0.00 -0.77 -4.97 107.32 102.69 2k4z s GLY 43 Ca 0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 44.72 44.72 2k4z s GLY 43 CO -0.01 1.10 -0.04 -1.36 0.00 0.00 0.00 173.10 172.79 2k4z s PHE 44 N -2.70 2.97 0.00 1.90 0.08 -1.26 -0.03 117.98 118.94 2k4z s PHE 44 Ca 0.17 -1.02 0.00 0.00 0.12 0.00 0.00 56.93 56.20 2k4z s PHE 44 Cb -0.02 -2.10 0.00 0.00 -0.57 0.00 0.00 43.02 40.33 2k4z s PHE 44 CO 0.03 -0.58 0.00 -3.47 -0.10 0.00 0.00 175.22 171.11 2k4z n ASP 45 N 4.78 0.00 -4.74 1.36 2.03 -1.08 -4.93 116.55 113.97 2k4z n ASP 45 Ca -0.18 -0.42 -0.41 0.00 0.52 0.00 0.00 54.79 54.30 2k4z n ASP 45 Cb 0.50 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.86 2k4z n ASP 45 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2k4z s ASP 46 N 0.22 7.25 -0.48 1.67 2.15 -1.26 -3.51 116.67 122.71 2k4z s ASP 46 Ca 0.00 2.16 -0.24 0.00 0.43 0.00 0.00 52.55 54.90 2k4z s ASP 46 Cb 0.00 -2.61 0.03 0.00 -0.30 0.00 0.00 42.92 40.04 2k4z s ASP 46 CO 0.00 -0.21 0.86 -0.22 -0.17 0.00 0.00 175.17 175.43 2k4z s LEU 47 N -0.69 4.17 0.69 -1.34 0.20 -1.26 -4.96 118.68 115.48 2k4z s LEU 47 Ca 0.48 -0.12 -0.03 0.00 0.69 0.00 0.00 54.13 55.15 2k4z s LEU 47 Cb -0.31 -2.99 0.09 0.00 -0.43 0.00 0.00 46.19 42.56 2k4z s LEU 47 CO 0.37 -1.03 0.96 0.42 -0.29 0.00 0.00 176.35 176.78 2k4z s THR 48 N 3.56 2.31 -0.16 3.68 -4.23 -1.26 -5.01 115.64 114.52 2k4z s THR 48 Ca 0.32 -0.50 0.16 0.00 -1.18 0.00 0.00 61.69 60.49 2k4z s THR 48 Cb -0.12 -2.81 0.34 0.00 1.34 0.00 0.00 72.50 71.25 2k4z s THR 48 CO 0.23 0.00 1.18 -0.62 -0.54 0.00 0.00 174.62 174.87 2k4z n GLU 49 N -2.78 1.43 0.00 3.99 1.02 -1.26 -4.48 120.64 118.56 2k4z n GLU 49 Ca 0.11 -2.85 0.00 0.00 -0.02 0.00 0.00 57.16 54.40 2k4z n GLU 49 Cb 0.60 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 2k4z n GLU 49 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2k4z n ASP 50 N -1.30 0.49 -4.89 1.62 9.92 -1.26 -5.06 116.55 116.07 2k4z n ASP 50 Ca 0.17 -0.75 -0.25 0.00 -0.53 0.00 0.00 54.79 53.43 2k4z n ASP 50 Cb 0.67 0.45 -0.01 0.00 -0.64 0.00 0.00 41.12 41.58 2k4z n ASP 50 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 2k4z s ASP 51 N -0.45 4.66 -0.29 -2.24 -4.77 -1.26 -4.76 116.67 107.56 2k4z s ASP 51 Ca 0.00 -1.17 -0.21 0.00 -3.30 0.00 0.00 52.55 47.87 2k4z s ASP 51 Cb 0.00 0.23 -0.01 0.00 -1.09 0.00 0.00 42.92 42.05 2k4z s ASP 51 CO 0.00 -1.01 0.66 -0.63 0.70 0.00 0.00 175.17 174.89 2k4z s ILE 52 N -2.72 4.93 -0.48 2.11 1.01 0.70 -4.90 121.20 121.85 2k4z s ILE 52 Ca 0.36 1.02 -0.26 0.00 0.00 0.00 0.00 60.65 61.78 2k4z s ILE 52 Cb -0.02 -4.00 0.03 0.00 0.01 0.00 0.00 42.46 38.48 2k4z s ILE 52 CO 0.22 -0.09 0.95 -0.60 0.00 0.00 0.00 174.94 175.42 2k4z s ARG 53 N 2.63 3.51 0.10 2.79 3.52 -1.26 -0.93 118.95 129.30 2k4z s ARG 53 Ca 0.27 0.11 0.02 0.00 -0.13 0.00 0.00 55.73 56.00 2k4z s ARG 53 Cb -0.15 -3.95 -0.04 0.00 -1.56 0.00 0.00 34.95 29.25 2k4z s ARG 53 CO 0.11 -1.30 0.19 -1.17 -0.81 0.00 0.00 175.30 172.31 2k4z s LEU 54 N 3.88 4.14 -0.20 -0.88 2.96 0.22 -4.96 118.68 123.85 2k4z s LEU 54 Ca 0.37 0.12 -0.04 0.00 -0.22 0.00 0.00 54.13 54.35 2k4z s LEU 54 Cb -0.10 -2.75 0.08 0.00 0.50 0.00 0.00 46.19 43.92 2k4z s LEU 54 CO 0.25 0.12 0.15 -0.89 -1.32 0.00 0.00 176.35 174.67 2k4z s THR 55 N -1.58 -0.18 -0.77 3.68 2.01 -1.26 -0.01 115.64 117.53 2k4z s THR 55 Ca 0.33 -0.23 -0.12 0.00 0.31 0.00 0.00 61.69 61.98 2k4z s THR 55 Cb -0.12 -0.68 0.20 0.00 0.01 0.00 0.00 72.50 71.92 2k4z s THR 55 CO 0.26 -0.32 0.68 -0.94 -0.69 0.00 0.00 174.62 173.61 2k4z s SER 56 N 2.21 6.40 0.00 3.53 1.04 0.20 -4.82 113.70 122.26 2k4z s SER 56 Ca 0.05 -2.69 0.00 0.00 0.48 0.00 0.00 55.95 53.79 2k4z s SER 56 Cb -0.16 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 63.83 2k4z s SER 56 CO -0.15 -0.54 0.00 1.21 0.98 0.00 0.00 173.24 174.75 2k4z n GLU 57 N 3.92 0.00 0.00 4.02 2.13 -1.26 -2.55 120.64 126.90 2k4z n GLU 57 Ca 0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.93 2k4z n GLU 57 Cb 0.45 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.16 2k4z n GLU 57 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k4z n GLY 58 N 0.00 0.00 3.78 8.31 0.00 -1.26 -5.09 105.19 110.92 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 -1.00 5.13 -0.08 1.61 1.01 -1.06 -5.07 120.40 120.94 2k4z s VAL 59 Ca 0.00 0.82 -0.16 0.00 0.00 0.00 0.00 61.98 62.65 2k4z s VAL 59 Cb 0.00 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 2k4z s VAL 59 CO 0.00 0.46 0.40 -0.70 0.00 0.00 0.00 175.10 175.26 2k4z s GLU 60 N -0.22 4.15 -0.07 2.72 2.12 -1.26 -0.62 118.70 125.51 2k4z s GLU 60 Ca 0.23 0.34 0.01 0.00 0.36 0.00 0.00 54.97 55.91 2k4z s GLU 60 Cb -0.15 -3.35 0.02 0.00 0.26 0.00 0.00 34.13 30.91 2k4z s GLU 60 CO 0.11 0.38 -0.06 0.42 -0.54 0.00 0.00 175.26 175.57 2k4z s ILE 61 N -0.07 0.78 -0.30 -3.70 1.01 0.99 -3.23 121.20 116.68 2k4z s ILE 61 Ca 0.23 -0.21 -0.13 0.00 0.00 0.00 0.00 60.65 60.54 2k4z s ILE 61 Cb -0.15 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 2k4z s ILE 61 CO 0.10 0.30 0.27 0.68 0.00 0.00 0.00 174.94 176.28 2k4z s VAL 62 N 1.21 5.25 -0.17 2.92 -7.23 0.28 0.73 120.40 123.39 2k4z s VAL 62 Ca -0.06 0.19 0.00 0.00 -1.81 0.00 0.00 61.98 60.30 2k4z s VAL 62 Cb -0.14 -3.64 0.04 0.00 0.56 0.00 0.00 36.38 33.20 2k4z s VAL 62 CO -0.02 0.14 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.20 2k4z s ILE 63 N 1.86 1.31 0.44 -0.62 1.01 -0.11 -3.49 121.20 121.61 2k4z s ILE 63 Ca 0.09 -0.73 -0.25 0.00 0.00 0.00 0.00 60.65 59.77 2k4z s ILE 63 Cb -0.16 -1.42 -0.08 0.00 0.01 0.00 0.00 42.46 40.81 2k4z s ILE 63 CO 0.11 0.19 1.30 0.00 0.00 0.00 0.00 174.94 176.53 2k4z s ALA 64 N 1.55 3.13 0.56 9.38 0.00 -1.26 -0.22 121.76 134.91 2k4z s ALA 64 Ca 0.01 1.21 0.34 0.00 0.00 0.00 0.00 51.96 53.52 2k4z s ALA 64 Cb -0.15 -3.49 1.49 0.00 0.00 0.00 0.00 23.12 20.97 2k4z s ALA 64 CO -0.08 -0.91 1.78 -1.35 0.00 0.00 0.00 175.76 175.20 2k4z h PRO 65 N 2.34 0.00 0.32 0.00 0.11 -1.94 0.95 132.00 133.78 2k4z h PRO 65 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2k4z h PRO 65 Cb 1.26 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 2k4z h PRO 65 CO 0.61 0.00 -0.36 0.22 -0.21 0.00 0.00 178.00 178.27 2k4z h ASP 66 N 0.00 -0.97 0.83 -2.05 1.82 -1.99 -2.96 116.42 111.11 2k4z h ASP 66 Ca 0.49 0.09 -0.06 0.00 -0.39 0.00 0.00 57.03 57.16 2k4z h ASP 66 Cb 2.11 0.34 -0.01 0.00 0.68 0.00 0.00 39.33 42.44 2k4z h ASP 66 CO -0.01 -0.49 -0.28 1.88 -1.61 0.00 0.00 179.24 178.74 2k4z h TYR 67 N -0.71 0.00 -0.72 0.28 0.05 -1.18 -3.00 116.97 111.69 2k4z h TYR 67 Ca -0.02 0.00 0.13 0.00 0.05 0.00 0.00 58.73 58.90 2k4z h TYR 67 Cb 0.66 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.35 2k4z h TYR 67 CO -0.22 0.28 0.48 0.28 -1.05 0.00 0.00 178.16 177.93 2k4z h VAL 68 N 0.00 0.83 0.00 -2.88 2.07 -1.25 0.32 116.25 115.35 2k4z h VAL 68 Ca -0.00 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2k4z h VAL 68 Cb 0.77 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2k4z h VAL 68 CO 0.04 0.08 0.00 0.77 0.02 0.00 0.00 177.57 178.48 2k4z h SER 69 N 0.44 0.00 0.00 0.57 4.64 -1.58 -3.18 113.55 114.44 2k4z h SER 69 Ca 0.35 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.56 2k4z h SER 69 Cb 0.74 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 2k4z h SER 69 CO -0.11 0.00 -1.40 0.18 -0.87 0.00 0.00 176.83 174.63 2k4z n LEU 70 N -2.35 1.19 -0.04 5.97 4.77 0.10 -4.59 117.00 122.05 2k4z n LEU 70 Ca 0.02 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2k4z n LEU 70 Cb 0.24 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2k4z n LEU 70 CO 0.21 0.33 0.45 0.18 -1.33 0.00 0.00 177.39 177.23 2k4z n LEU 71 N -2.41 0.07 -4.71 2.23 4.77 0.91 -4.76 117.00 113.10 2k4z n LEU 71 Ca -0.11 -0.03 -0.41 0.00 -0.03 0.00 0.00 56.01 55.43 2k4z n LEU 71 Cb 0.66 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.68 2k4z n LEU 71 CO 0.10 0.02 0.59 -0.62 -1.33 0.00 0.00 177.39 176.15 2k4z s ASP 72 N -0.99 7.26 -0.28 -1.43 2.15 -1.20 -3.46 116.67 118.72 2k4z s ASP 72 Ca 0.00 1.52 0.00 0.00 0.43 0.00 0.00 52.55 54.50 2k4z s ASP 72 Cb 0.00 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 2k4z s ASP 72 CO 0.00 -0.20 0.00 0.00 -0.17 0.00 0.00 175.17 174.80 2k4z n GLN 73 N 3.80 -0.90 -2.51 4.34 6.02 -1.06 -4.94 117.38 122.13 2k4z n GLN 73 Ca 0.04 0.40 -0.42 0.00 -0.01 0.00 0.00 57.00 57.01 2k4z n GLN 73 Cb 0.51 -4.18 -0.03 0.00 1.02 0.00 0.00 30.24 27.56 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 -1.74 4.35 -0.27 5.09 2.01 -1.22 -4.36 115.64 119.50 2k4z s THR 74 Ca 0.00 1.67 -0.12 0.00 0.31 0.00 0.00 61.69 63.56 2k4z s THR 74 Cb 0.00 -4.08 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 2k4z s THR 74 CO 0.00 0.03 0.21 -0.89 -0.69 0.00 0.00 174.62 173.29 2k4z s THR 75 N 1.89 5.30 -0.19 -0.82 2.01 0.43 -0.11 115.64 124.14 2k4z s THR 75 Ca 0.55 0.24 -0.03 0.00 0.31 0.00 0.00 61.69 62.75 2k4z s THR 75 Cb -0.24 -3.55 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 2k4z s THR 75 CO 0.23 0.26 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.15 2k4z s LEU 76 N 1.66 3.01 0.08 4.42 2.96 0.13 -0.11 118.68 130.83 2k4z s LEU 76 Ca 0.08 -0.29 -0.08 0.00 -0.22 0.00 0.00 54.13 53.62 2k4z s LEU 76 Cb -0.15 -1.75 -0.00 0.00 0.50 0.00 0.00 46.19 44.79 2k4z s LEU 76 CO 0.10 0.06 0.17 -0.62 -1.32 0.00 0.00 176.35 174.74 2k4z s ASP 77 N 0.98 0.14 -0.16 3.68 2.15 -1.04 -2.21 116.67 120.20 2k4z s ASP 77 Ca 0.00 -0.64 -0.04 0.00 0.43 0.00 0.00 52.55 52.31 2k4z s ASP 77 Cb -0.15 0.32 -0.02 0.00 -0.30 0.00 0.00 42.92 42.77 2k4z s ASP 77 CO 0.01 -0.69 -0.04 -0.72 -0.17 0.00 0.00 175.17 173.56 2k4z s TYR 78 N -3.66 3.01 -0.01 -5.34 1.13 -1.26 -0.02 117.35 111.20 2k4z s TYR 78 Ca 0.03 -0.38 0.04 0.00 -1.41 0.00 0.00 57.07 55.35 2k4z s TYR 78 Cb 0.04 -1.98 -0.01 0.00 -1.10 0.00 0.00 41.96 38.91 2k4z s TYR 78 CO -0.10 -0.11 -0.13 0.14 -2.51 0.00 0.00 175.55 172.85 2k4z s VAL 79 N 0.52 1.03 -1.01 -3.49 -7.23 -0.15 -4.90 120.40 105.17 2k4z s VAL 79 Ca -0.03 -0.55 -0.23 0.00 -1.81 0.00 0.00 61.98 59.35 2k4z s VAL 79 Cb -0.14 -0.87 0.04 0.00 0.56 0.00 0.00 36.38 35.97 2k4z s VAL 79 CO 0.03 0.29 1.51 -0.70 -0.31 0.00 0.00 175.10 175.92 2k4z s GLU 80 N -0.26 3.48 -0.01 4.82 2.12 -1.26 -0.88 118.70 126.72 2k4z s GLU 80 Ca 0.04 -1.04 -0.22 0.00 0.36 0.00 0.00 54.97 54.11 2k4z s GLU 80 Cb -0.06 -5.33 -0.21 0.00 0.26 0.00 0.00 34.13 28.79 2k4z s GLU 80 CO -0.00 -2.34 1.12 -0.07 -0.54 0.00 0.00 175.26 173.43 2k4z h LEU 81 N 13.36 0.37 -9.43 2.70 3.38 -1.88 -3.45 115.31 120.36 2k4z h LEU 81 Ca 0.19 -0.71 -0.67 0.00 0.09 0.00 0.00 57.88 56.79 2k4z h LEU 81 Cb 1.01 -0.11 -0.12 0.00 0.09 0.00 0.00 40.66 41.53 2k4z h LEU 81 CO 1.41 1.02 -0.58 -1.61 0.09 0.00 0.00 178.44 178.76 2k4z s GLU 82 N -3.41 3.09 -0.24 1.13 0.41 -1.25 -5.04 118.70 113.39 2k4z s GLU 82 Ca -0.15 -0.37 -0.31 0.00 -0.41 0.00 0.00 54.97 53.73 2k4z s GLU 82 Cb 0.03 -2.89 -0.08 0.00 -1.78 0.00 0.00 34.13 29.41 2k4z s GLU 82 CO 0.77 0.70 2.16 -0.35 -0.49 0.00 0.00 175.26 178.06 2k4z n PRO 83 N 1.85 1.73 -0.46 0.39 -0.04 -1.26 -0.34 135.00 136.87 2k4z n PRO 83 Ca -0.17 0.50 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 2k4z n PRO 83 Cb 0.54 -2.90 0.00 0.00 -0.04 0.00 0.00 33.50 31.10 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 5.83 0.73 3.15 0.55 0.00 -1.26 -5.03 105.19 109.16 2k4z n GLY 84 Ca 0.33 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.54 2.72 -0.57 1.61 0.74 0.54 -5.07 119.66 119.10 2k4z s GLN 85 Ca 0.00 -1.03 -0.21 0.00 0.05 0.00 0.00 55.36 54.17 2k4z s GLN 85 Cb 0.00 -2.85 0.07 0.00 1.10 0.00 0.00 33.01 31.33 2k4z s GLN 85 CO 0.00 -0.39 0.77 -0.06 -0.55 0.00 0.00 175.29 175.05 2k4z s PHE 86 N 1.26 2.92 -0.26 1.67 0.08 -1.26 -3.61 117.98 118.78 2k4z s PHE 86 Ca -0.01 -0.58 -0.12 0.00 0.12 0.00 0.00 56.93 56.34 2k4z s PHE 86 Cb -0.17 -3.91 -0.05 0.00 -0.57 0.00 0.00 43.02 38.33 2k4z s PHE 86 CO -0.07 -1.28 0.24 -1.58 -0.10 0.00 0.00 175.22 172.43 2k4z s HIS 87 N 3.14 3.27 0.10 0.36 5.65 -0.05 -4.83 115.29 122.93 2k4z s HIS 87 Ca 0.18 0.26 -0.30 0.00 0.25 0.00 0.00 55.06 55.45 2k4z s HIS 87 Cb -0.19 -2.40 -0.06 0.00 -1.18 0.00 0.00 32.58 28.75 2k4z s HIS 87 CO 0.11 -0.09 1.15 -0.06 -0.65 0.00 0.00 174.74 175.20 2k4z s PHE 88 N 1.55 3.50 -0.07 3.88 0.08 -1.26 -0.98 117.98 124.69 2k4z s PHE 88 Ca 0.10 1.43 0.03 0.00 0.12 0.00 0.00 56.93 58.61 2k4z s PHE 88 Cb -0.15 -3.35 -0.02 0.00 -0.57 0.00 0.00 43.02 38.92 2k4z s PHE 88 CO 0.08 -0.96 -0.13 0.96 -0.10 0.00 0.00 175.22 175.07 2k4z s ILE 89 N 0.61 3.13 -0.44 0.64 -4.36 0.97 -4.94 121.20 116.80 2k4z s ILE 89 Ca 0.55 -0.69 -0.11 0.00 -0.26 0.00 0.00 60.65 60.14 2k4z s ILE 89 Cb -0.29 -2.25 0.08 0.00 1.25 0.00 0.00 42.46 41.26 2k4z s ILE 89 CO 0.31 0.58 0.31 -0.36 0.24 0.00 0.00 174.94 176.02 2k4z s PHE 90 N -0.53 3.31 -0.23 1.37 0.40 -1.26 -2.50 117.98 118.54 2k4z s PHE 90 Ca 0.07 -1.37 -0.18 0.00 -0.60 0.00 0.00 56.93 54.85 2k4z s PHE 90 Cb -0.12 -3.09 -0.03 0.00 0.51 0.00 0.00 43.02 40.30 2k4z s PHE 90 CO 0.02 -0.85 0.52 -0.51 0.70 0.00 0.00 175.22 175.09 2k4z s LEU 91 N 1.49 4.09 -0.31 -0.37 1.43 0.84 -4.91 118.68 120.95 2k4z s LEU 91 Ca 0.03 0.59 -0.05 0.00 -1.03 0.00 0.00 54.13 53.67 2k4z s LEU 91 Cb -0.24 -2.69 0.03 0.00 0.03 0.00 0.00 46.19 43.32 2k4z s LEU 91 CO 0.03 -0.24 0.06 0.21 0.23 0.00 0.00 176.35 176.65 2k4z s ASN 92 N 1.36 5.07 0.55 2.29 2.47 -1.26 -0.43 114.94 125.00 2k4z s ASN 92 Ca 0.23 -0.96 0.36 0.00 0.42 0.00 0.00 52.86 52.91 2k4z s ASN 92 Cb -0.15 -1.83 1.73 0.00 -1.45 0.00 0.00 41.25 39.54 2k4z s ASN 92 CO 0.09 -0.24 2.08 -0.65 -3.72 0.00 0.00 177.10 174.66 2k4z h PRO 93 N 8.18 0.00 -0.60 0.43 0.11 -1.94 -2.25 132.00 135.93 2k4z h PRO 93 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2k4z h PRO 93 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2k4z h PRO 93 CO 0.59 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.92 2k4z n ARG 94 N -2.95 2.70 -3.92 1.05 1.74 -1.26 -4.79 116.66 109.23 2k4z n ARG 94 Ca -0.01 -1.75 -0.35 0.00 -0.77 0.00 0.00 57.85 54.97 2k4z n ARG 94 Cb 0.19 -1.66 -0.10 0.00 -1.02 0.00 0.00 32.46 29.87 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 -0.73 5.59 0.56 0.55 -1.08 -0.85 -4.99 116.67 115.74 2k4z s ASP 95 Ca 0.31 0.03 0.34 0.00 -0.52 0.00 0.00 52.55 52.71 2k4z s ASP 95 Cb 0.20 -1.97 1.85 0.00 -1.46 0.00 0.00 42.92 41.54 2k4z s ASP 95 CO 0.15 0.12 2.03 -0.65 0.52 0.00 0.00 175.17 177.34 2k4z h PRO 96 N 7.09 0.00 0.00 4.34 0.11 -1.88 0.62 132.00 142.28 2k4z h PRO 96 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2k4z h PRO 96 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2k4z h PRO 96 CO 0.67 0.00 -0.35 1.15 -0.21 0.00 0.00 178.00 179.26 2k4z h THR 97 N 0.00 0.00 0.21 -1.15 2.02 -1.94 -2.45 112.91 109.60 2k4z h THR 97 Ca 0.00 -0.81 -0.31 0.00 0.77 0.00 0.00 66.41 66.06 2k4z h THR 97 Cb 0.19 1.61 0.03 0.00 -1.74 0.00 0.00 68.15 68.23 2k4z h THR 97 CO 0.00 0.00 -1.40 0.22 0.37 0.00 0.00 175.52 174.71 2k4z h TYR 98 N 0.00 0.80 -2.87 3.16 3.20 -1.14 -3.41 116.97 116.71 2k4z h TYR 98 Ca 0.00 -0.58 -0.56 0.00 3.14 0.00 0.00 58.73 60.73 2k4z h TYR 98 Cb 0.90 -0.03 -0.40 0.00 1.54 0.00 0.00 36.73 38.74 2k4z h TYR 98 CO 0.00 1.46 -0.78 0.50 -1.64 0.00 0.00 178.16 177.69 2k4z s ARG 99 N -2.62 0.48 0.51 1.82 3.52 -1.11 -5.08 118.95 116.46 2k4z s ARG 99 Ca -0.07 -0.93 -0.05 0.00 -0.13 0.00 0.00 55.73 54.55 2k4z s ARG 99 Cb 0.05 -1.50 -0.02 0.00 -1.56 0.00 0.00 34.95 31.92 2k4z s ARG 99 CO 0.92 -1.05 0.80 -1.25 -0.81 0.00 0.00 175.30 173.91 2k4z s PRO 100 N 1.65 3.30 -0.49 5.12 0.04 -0.92 -4.58 135.00 139.11 2k4z s PRO 100 Ca 0.11 0.04 -0.27 0.00 0.04 0.00 0.00 61.00 60.92 2k4z s PRO 100 Cb -0.18 -2.38 -0.02 0.00 0.04 0.00 0.00 34.50 31.97 2k4z s PRO 100 CO -0.24 -0.35 1.79 -2.14 0.04 0.00 0.00 177.00 176.10 2k4z s PRO 101 N -4.78 2.98 -0.32 0.56 0.02 -1.26 -4.96 135.00 127.24 2k4z s PRO 101 Ca 0.49 0.93 -0.29 0.00 0.02 0.00 0.00 61.00 62.15 2k4z s PRO 101 Cb -0.10 -4.28 -0.00 0.00 0.02 0.00 0.00 34.50 30.13 2k4z s PRO 101 CO 0.44 -2.30 1.44 -1.12 -0.33 0.00 0.00 177.00 175.13 2k4z s SER 102 N 6.92 6.44 -0.06 2.53 0.01 -1.26 -4.92 113.70 123.37 2k4z s SER 102 Ca 0.71 1.18 -0.30 0.00 1.31 0.00 0.00 55.95 58.84 2k4z s SER 102 Cb -0.16 -2.54 0.11 0.00 0.21 0.00 0.00 66.02 63.65 2k4z s SER 102 CO 0.26 -1.28 1.35 -0.83 0.41 0.00 0.00 173.24 173.15 2k4z s GLY 103 N 3.71 -0.29 0.00 3.44 0.00 -1.26 -5.34 107.32 107.58 2k4z s GLY 103 Ca 0.63 0.39 0.00 0.00 0.00 0.00 0.00 44.72 45.74 2k4z s GLY 103 CO 0.28 3.85 0.00 0.61 0.00 0.00 0.00 173.10 177.84