#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 0.00 1.50 -5.12 0.00 -1.26 -4.18 105.19 96.12 2k4z n GLY -19 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 2k4z n GLY -19 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k4z n SER -18 N -2.40 4.41 -4.14 1.61 3.41 -1.26 -4.57 113.62 110.68 2k4z n SER -18 Ca 0.00 -2.62 -0.29 0.00 -0.26 0.00 0.00 58.87 55.70 2k4z n SER -18 Cb 0.42 -0.61 0.18 0.00 -0.26 0.00 0.00 64.21 63.94 2k4z n SER -18 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2k4z s SER -17 N -0.64 3.16 0.12 4.04 1.04 -1.26 -4.99 113.70 115.18 2k4z s SER -17 Ca 0.41 0.05 -0.16 0.00 0.48 0.00 0.00 55.95 56.72 2k4z s SER -17 Cb 0.30 -0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.32 2k4z s SER -17 CO 0.14 -2.68 1.65 0.45 0.98 0.00 0.00 173.24 173.77 2k4z h HIS -16 N -1.50 0.57 -3.39 5.02 -0.00 -1.99 -3.40 115.15 110.47 2k4z h HIS -16 Ca -0.42 -0.05 -0.55 0.00 -0.00 0.00 0.00 60.37 59.35 2k4z h HIS -16 Cb 1.23 -0.17 -0.04 0.00 -0.00 0.00 0.00 27.41 28.43 2k4z h HIS -16 CO -1.16 0.55 0.06 -1.01 -0.00 0.00 0.00 177.93 176.36 2k4z s HIS -15 N -5.44 3.82 0.61 2.45 0.09 -1.26 -5.08 115.29 110.47 2k4z s HIS -15 Ca -0.13 1.41 0.06 0.00 -0.00 0.00 0.00 55.06 56.40 2k4z s HIS -15 Cb 0.09 -2.61 0.10 0.00 -0.00 0.00 0.00 32.58 30.16 2k4z s HIS -15 CO 0.75 0.52 0.85 -1.01 -0.00 0.00 0.00 174.74 175.85 2k4z s HIS -14 N -1.20 1.57 -2.44 1.40 4.02 -1.26 -4.67 115.29 112.72 2k4z s HIS -14 Ca 0.34 -0.54 0.22 0.00 1.02 0.00 0.00 55.06 56.10 2k4z s HIS -14 Cb -0.20 -2.50 0.57 0.00 -1.02 0.00 0.00 32.58 29.43 2k4z s HIS -14 CO 0.22 -1.30 1.46 1.58 1.02 0.00 0.00 174.74 177.73 2k4z n HIS -13 N -2.42 0.32 -3.89 1.40 -0.00 -1.26 -4.62 115.22 104.75 2k4z n HIS -13 Ca 0.15 -0.16 -0.32 0.00 -0.00 0.00 0.00 57.72 57.39 2k4z n HIS -13 Cb 0.61 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 30.47 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 -1.68 3.24 -0.03 1.57 4.02 -1.26 -4.80 115.29 116.35 2k4z s HIS -12 Ca 0.35 -3.06 0.01 0.00 1.02 0.00 0.00 55.06 53.39 2k4z s HIS -12 Cb 0.20 -2.92 -0.02 0.00 -1.02 0.00 0.00 32.58 28.82 2k4z s HIS -12 CO 0.29 -0.77 0.05 -2.39 1.02 0.00 0.00 174.74 172.94 2k4z n HIS -11 N 3.20 0.00 0.11 1.40 -0.00 -1.26 -4.67 115.22 113.99 2k4z n HIS -11 Ca 0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.75 2k4z n HIS -11 Cb 0.34 -0.02 0.19 0.00 -0.00 0.00 0.00 29.99 30.50 2k4z n HIS -11 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2k4z h SER -10 N 0.00 0.19 -0.04 4.39 4.64 -1.95 -2.87 113.55 117.91 2k4z h SER -10 Ca 0.00 -0.10 -0.05 0.00 -0.47 0.00 0.00 61.79 61.17 2k4z h SER -10 Cb 0.05 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 2k4z h SER -10 CO 0.00 0.67 -0.11 0.77 -0.87 0.00 0.00 176.83 177.29 2k4z h SER -9 N 0.14 0.30 0.64 4.97 4.64 -1.83 0.24 113.55 122.66 2k4z h SER -9 Ca 0.00 -0.06 -0.27 0.00 -0.47 0.00 0.00 61.79 60.99 2k4z h SER -9 Cb 0.95 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 2k4z h SER -9 CO 0.08 0.45 -1.30 1.23 -0.87 0.00 0.00 176.83 176.42 2k4z h GLY -8 N 0.79 0.24 1.14 -0.77 0.00 -1.84 -2.79 103.07 99.83 2k4z h GLY -8 Ca 0.06 -0.61 -0.21 0.00 0.00 0.00 0.00 47.33 46.58 2k4z h GLY -8 CO 0.02 0.53 -0.68 1.41 0.00 0.00 0.00 176.54 177.82 2k4z h LEU -7 N 0.06 0.93 -7.07 3.11 3.38 -1.25 -3.38 115.31 111.08 2k4z h LEU -7 Ca -0.15 -0.60 -0.62 0.00 0.09 0.00 0.00 57.88 56.60 2k4z h LEU -7 Cb 1.95 -0.27 -0.40 0.00 0.09 0.00 0.00 40.66 42.03 2k4z h LEU -7 CO 0.18 1.37 -0.71 -0.69 0.09 0.00 0.00 178.44 178.68 2k4z s VAL -6 N -3.86 1.76 -0.48 1.22 1.01 0.82 -5.08 120.40 115.79 2k4z s VAL -6 Ca -0.11 -2.86 -0.27 0.00 0.00 0.00 0.00 61.98 58.74 2k4z s VAL -6 Cb 0.09 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 2k4z s VAL -6 CO 0.89 -0.89 1.90 -2.16 0.00 0.00 0.00 175.10 174.84 2k4z s PRO -5 N 0.06 2.86 -0.21 2.72 0.04 -1.05 -4.43 135.00 134.98 2k4z s PRO -5 Ca 0.18 1.03 -0.29 0.00 0.04 0.00 0.00 61.00 61.97 2k4z s PRO -5 Cb -0.22 -4.33 -0.02 0.00 0.04 0.00 0.00 34.50 29.96 2k4z s PRO -5 CO -0.02 -2.44 1.45 1.03 0.04 0.00 0.00 177.00 177.07 2k4z s ARG -4 N 6.61 3.98 0.00 4.56 0.52 -1.26 -3.71 118.95 129.65 2k4z s ARG -4 Ca 0.76 1.62 0.00 0.00 -0.52 0.00 0.00 55.73 57.59 2k4z s ARG -4 Cb -0.17 -3.92 0.00 0.00 0.52 0.00 0.00 34.95 31.38 2k4z s ARG -4 CO 0.27 -1.05 0.00 0.41 0.02 0.00 0.00 175.30 174.95 2k4z n GLY -3 N 4.24 1.76 0.14 -3.53 0.00 -1.26 -5.03 105.19 101.51 2k4z n GLY -3 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 2k4z n GLY -3 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2k4z h SER -2 N 0.00 0.00 -5.57 1.61 0.02 -2.00 -3.47 113.55 104.14 2k4z h SER -2 Ca 0.00 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.72 2k4z h SER -2 Cb 0.00 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.40 2k4z h SER -2 CO 0.00 0.05 -0.56 -1.00 -1.14 0.00 0.00 176.83 174.17 2k4z s HIS -1 N -3.30 1.10 -0.03 3.45 3.76 -1.26 -5.16 115.29 113.85 2k4z s HIS -1 Ca 0.01 -1.33 -0.00 0.00 -0.15 0.00 0.00 55.06 53.59 2k4z s HIS -1 Cb 0.08 -0.49 0.03 0.00 1.11 0.00 0.00 32.58 33.32 2k4z s HIS -1 CO 0.77 -0.69 0.02 1.41 -0.85 0.00 0.00 174.74 175.40 2k4z s MET 0 N -4.11 0.13 -1.05 1.40 1.75 -1.26 -5.09 119.30 111.07 2k4z s MET 0 Ca 0.37 0.19 -0.13 0.00 -1.25 0.00 0.00 55.69 54.88 2k4z s MET 0 Cb 0.06 -0.46 0.22 0.00 2.84 0.00 0.00 34.83 37.49 2k4z s MET 0 CO 0.12 -0.21 1.12 -1.64 -0.65 0.00 0.00 175.02 173.77 2k4z s MET 1 N 1.40 3.97 -0.27 4.11 -1.94 -1.26 -4.92 119.30 120.39 2k4z s MET 1 Ca -0.05 -2.72 -0.01 0.00 -1.71 0.00 0.00 55.69 51.20 2k4z s MET 1 Cb -0.13 -4.70 0.09 0.00 2.01 0.00 0.00 34.83 32.10 2k4z s MET 1 CO -0.03 -1.45 0.07 0.12 -0.01 0.00 0.00 175.02 173.73 2k4z s PHE 2 N 0.23 1.48 -0.53 -0.03 5.36 -1.26 0.13 117.98 123.36 2k4z s PHE 2 Ca 0.31 -1.45 -0.17 0.00 -0.96 0.00 0.00 56.93 54.66 2k4z s PHE 2 Cb -0.08 -1.47 0.11 0.00 -0.34 0.00 0.00 43.02 41.24 2k4z s PHE 2 CO -0.06 -0.80 0.52 0.21 -1.46 0.00 0.00 175.22 173.63 2k4z s LYS 3 N 1.70 3.00 -0.32 10.12 2.20 -0.93 -4.97 119.74 130.55 2k4z s LYS 3 Ca 0.06 -1.52 -0.18 0.00 -0.36 0.00 0.00 55.97 53.97 2k4z s LYS 3 Cb -0.17 -4.25 -0.01 0.00 -1.51 0.00 0.00 37.83 31.89 2k4z s LYS 3 CO -0.20 -1.30 0.49 -1.17 -0.36 0.00 0.00 175.35 172.81 2k4z s LEU 4 N 1.86 4.25 0.39 5.43 0.20 -1.26 0.11 118.68 129.66 2k4z s LEU 4 Ca 0.05 0.12 -0.25 0.00 0.69 0.00 0.00 54.13 54.74 2k4z s LEU 4 Cb -0.27 -2.57 -0.09 0.00 -0.43 0.00 0.00 46.19 42.83 2k4z s LEU 4 CO 0.05 -0.40 1.14 0.42 -0.29 0.00 0.00 176.35 177.27 2k4z s THR 5 N 2.32 3.29 0.49 3.68 -4.23 -0.40 -4.65 115.64 116.14 2k4z s THR 5 Ca 0.18 1.08 0.18 0.00 -1.18 0.00 0.00 61.69 61.96 2k4z s THR 5 Cb -0.16 -3.61 0.34 0.00 1.34 0.00 0.00 72.50 70.42 2k4z s THR 5 CO 0.12 0.10 2.03 1.55 -0.54 0.00 0.00 174.62 177.88 2k4z h PRO 6 N 2.73 0.16 -0.44 3.99 0.13 -1.97 0.13 132.00 136.72 2k4z h PRO 6 Ca -0.48 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 2k4z h PRO 6 Cb 1.23 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2k4z h PRO 6 CO 0.63 0.11 0.19 0.00 -0.23 0.00 0.00 178.00 178.70 2k4z h ALA 7 N 1.78 0.58 -0.05 -0.56 0.00 -1.96 -1.93 119.26 117.11 2k4z h ALA 7 Ca 0.20 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 2k4z h ALA 7 Cb 0.58 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2k4z h ALA 7 CO -0.03 0.17 -0.67 0.00 0.00 0.00 0.00 179.25 178.72 2k4z h ALA 8 N 1.04 0.76 -0.70 0.00 0.00 -1.55 -3.07 119.26 115.74 2k4z h ALA 8 Ca 0.15 -0.59 0.02 0.00 0.00 0.00 0.00 54.91 54.50 2k4z h ALA 8 Cb 0.17 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2k4z h ALA 8 CO -0.01 0.77 0.46 0.00 0.00 0.00 0.00 179.25 180.47 2k4z h ALA 9 N 1.13 1.57 0.00 0.00 0.00 -0.49 -1.16 119.26 120.30 2k4z h ALA 9 Ca -0.02 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2k4z h ALA 9 Cb 1.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2k4z h ALA 9 CO 0.10 0.37 -0.34 0.93 0.00 0.00 0.00 179.25 180.32 2k4z h GLU 10 N 0.88 0.00 -0.04 0.00 5.08 -1.26 -1.48 114.58 117.77 2k4z h GLU 10 Ca 0.27 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.49 2k4z h GLU 10 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2k4z h GLU 10 CO -0.07 0.34 -0.63 0.37 -1.00 0.00 0.00 179.01 178.01 2k4z h GLN 11 N 0.00 0.14 -0.51 2.33 4.15 -1.24 0.39 115.11 120.37 2k4z h GLN 11 Ca -0.00 -0.10 -0.07 0.00 0.77 0.00 0.00 58.65 59.24 2k4z h GLN 11 Cb 0.79 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.48 2k4z h GLN 11 CO 0.04 0.73 0.03 0.28 -1.93 0.00 0.00 178.83 177.98 2k4z h VAL 12 N 0.10 1.26 -0.27 2.39 2.07 -0.92 -1.44 116.25 119.45 2k4z h VAL 12 Ca -0.01 -1.04 -0.07 0.00 0.82 0.00 0.00 66.70 66.40 2k4z h VAL 12 Cb 1.14 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 2k4z h VAL 12 CO 0.09 0.37 -0.16 0.25 0.02 0.00 0.00 177.57 178.14 2k4z h LEU 13 N 0.75 0.45 -0.97 2.57 5.85 -0.93 -2.20 115.31 120.82 2k4z h LEU 13 Ca 0.15 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 2k4z h LEU 13 Cb 0.48 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 2k4z h LEU 13 CO 0.02 0.63 0.34 0.50 -0.34 0.00 0.00 178.44 179.59 2k4z h LYS 14 N 0.42 1.08 -0.58 1.25 3.64 0.18 0.13 116.57 122.70 2k4z h LYS 14 Ca 0.08 -0.16 -0.09 0.00 -1.27 0.00 0.00 60.65 59.21 2k4z h LYS 14 Cb 0.52 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 2k4z h LYS 14 CO 0.03 0.85 0.02 0.00 -2.27 0.00 0.00 179.45 178.08 2k4z h ALA 15 N 1.30 0.94 -0.35 5.00 0.00 -0.84 -2.27 119.26 123.04 2k4z h ALA 15 Ca 0.26 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2k4z h ALA 15 Cb 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2k4z h ALA 15 CO -0.03 0.64 -0.10 0.00 0.00 0.00 0.00 179.25 179.76 2k4z h ALA 16 N 1.10 1.17 -0.78 0.00 0.00 -0.77 -2.20 119.26 117.78 2k4z h ALA 16 Ca 0.17 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.83 2k4z h ALA 16 Cb 0.50 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2k4z h ALA 16 CO 0.02 0.53 0.51 0.87 0.00 0.00 0.00 179.25 181.19 2k4z h LYS 17 N 0.55 0.95 0.00 0.00 1.57 -0.31 -0.20 116.57 119.13 2k4z h LYS 17 Ca 0.10 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2k4z h LYS 17 Cb 0.51 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2k4z h LYS 17 CO 0.03 0.63 0.00 1.96 -0.57 0.00 0.00 179.45 181.50 2k4z h GLN 18 N 0.98 0.00 0.00 3.15 4.20 -0.85 -3.49 115.11 119.11 2k4z h GLN 18 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 2k4z h GLN 18 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2k4z h GLN 18 CO -0.08 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.49 2k4z n GLY 19 N -0.25 0.20 3.52 3.46 0.00 -0.09 -4.95 105.19 107.08 2k4z n GLY 19 Ca 0.01 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.27 2k4z n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4z n GLY 20 N 0.33 1.91 0.37 -0.02 0.00 -1.26 -4.52 105.19 102.00 2k4z n GLY 20 Ca 0.00 -0.22 0.13 0.00 0.00 0.00 0.00 46.02 45.93 2k4z n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k4z n THR 21 N 0.00 0.00 -2.39 2.61 -2.24 -1.26 -4.85 114.28 106.14 2k4z n THR 21 Ca 0.00 -0.19 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 2k4z n THR 21 Cb 0.00 0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 68.69 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 -2.28 4.45 0.00 -0.78 2.12 -1.26 -2.62 118.70 118.33 2k4z s GLU 22 Ca 0.30 1.82 0.00 0.00 0.36 0.00 0.00 54.97 57.45 2k4z s GLU 22 Cb 0.20 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 31.28 2k4z s GLU 22 CO 0.44 -0.20 0.00 0.41 -0.54 0.00 0.00 175.26 175.36 2k4z n GLY 23 N 2.89 1.25 3.91 -1.50 0.00 -1.26 -5.05 105.19 105.44 2k4z n GLY 23 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.71 3.26 0.04 1.61 -1.94 -1.08 -5.00 119.30 115.49 2k4z s MET 24 Ca 0.00 0.09 0.02 0.00 -1.71 0.00 0.00 55.69 54.09 2k4z s MET 24 Cb 0.00 -2.34 -0.04 0.00 2.01 0.00 0.00 34.83 34.46 2k4z s MET 24 CO 0.00 -0.42 0.06 0.00 -0.01 0.00 0.00 175.02 174.65 2k4z s LEU 26 N -2.04 4.11 -0.24 0.00 2.96 -0.92 0.10 118.68 122.66 2k4z s LEU 26 Ca 0.25 1.07 -0.10 0.00 -0.22 0.00 0.00 54.13 55.13 2k4z s LEU 26 Cb -0.12 -3.19 -0.05 0.00 0.50 0.00 0.00 46.19 43.33 2k4z s LEU 26 CO 0.17 -0.47 0.15 -0.60 -1.32 0.00 0.00 176.35 174.28 2k4z s ARG 27 N 2.60 4.03 -0.22 1.98 6.06 0.12 -0.20 118.95 133.32 2k4z s ARG 27 Ca 0.36 -0.29 -0.09 0.00 -2.50 0.00 0.00 55.73 53.20 2k4z s ARG 27 Cb -0.16 -3.51 -0.05 0.00 0.06 0.00 0.00 34.95 31.30 2k4z s ARG 27 CO 0.09 0.04 0.12 -0.51 -2.50 0.00 0.00 175.30 172.54 2k4z s LEU 28 N 1.09 4.02 0.05 -0.88 1.43 -1.05 -1.69 118.68 121.66 2k4z s LEU 28 Ca 0.07 0.11 0.07 0.00 -1.03 0.00 0.00 54.13 53.36 2k4z s LEU 28 Cb -0.14 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 2k4z s LEU 28 CO 0.05 0.11 -0.21 0.00 0.23 0.00 0.00 176.35 176.53 2k4z s ALA 29 N 0.75 1.77 -0.05 4.21 0.00 0.77 -4.39 121.76 124.81 2k4z s ALA 29 Ca 0.06 -1.07 -0.02 0.00 0.00 0.00 0.00 51.96 50.93 2k4z s ALA 29 Cb -0.13 -0.34 0.04 0.00 0.00 0.00 0.00 23.12 22.69 2k4z s ALA 29 CO 0.02 0.39 0.09 0.00 0.00 0.00 0.00 175.76 176.26 2k4z s ALA 30 N -0.83 -0.05 0.15 0.00 0.00 -1.26 -0.06 121.76 119.72 2k4z s ALA 30 Ca 0.07 0.45 0.03 0.00 0.00 0.00 0.00 51.96 52.51 2k4z s ALA 30 Cb -0.09 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 2k4z s ALA 30 CO 0.02 -0.26 -0.05 0.20 0.00 0.00 0.00 175.76 175.66 2k4z s GLY 31 N 1.49 1.07 -0.33 0.00 0.00 -0.41 -4.59 107.32 104.54 2k4z s GLY 31 Ca -0.05 -1.50 -0.15 0.00 0.00 0.00 0.00 44.72 43.02 2k4z s GLY 31 CO -0.04 -1.54 0.37 0.50 0.00 0.00 0.00 173.10 172.39 2k4z s ARG 32 N -3.83 3.63 0.16 2.90 0.52 -1.25 -1.20 118.95 119.88 2k4z s ARG 32 Ca 0.18 -0.34 0.04 0.00 -0.52 0.00 0.00 55.73 55.09 2k4z s ARG 32 Cb 0.05 -3.78 -0.04 0.00 0.52 0.00 0.00 34.95 31.69 2k4z s ARG 32 CO 0.01 -0.50 0.20 -0.80 0.02 0.00 0.00 175.30 174.23 2k4z s ASN 33 N 1.73 5.87 0.46 0.23 0.02 -0.32 -4.85 114.94 118.08 2k4z s ASN 33 Ca 0.13 -0.00 0.13 0.00 -1.02 0.00 0.00 52.86 52.09 2k4z s ASN 33 Cb -0.16 -1.64 1.07 0.00 0.02 0.00 0.00 41.25 40.53 2k4z s ASN 33 CO 0.12 0.06 2.05 1.55 0.02 0.00 0.00 177.10 180.89 2k4z h PRO 34 N 2.27 0.31 0.01 -0.60 0.13 -1.97 -1.30 132.00 130.84 2k4z h PRO 34 Ca -0.48 -0.02 -0.39 0.00 -0.87 0.00 0.00 66.00 64.24 2k4z h PRO 34 Cb 1.20 -0.07 -0.07 0.00 0.13 0.00 0.00 31.00 32.19 2k4z h PRO 34 CO 0.65 0.21 -2.44 -0.25 -0.23 0.00 0.00 178.00 175.94 2k4z n ASP 35 N -4.48 1.87 -3.77 1.44 8.00 -1.26 -4.74 116.55 113.61 2k4z n ASP 35 Ca 0.05 -0.11 -0.28 0.00 0.71 0.00 0.00 54.79 55.16 2k4z n ASP 35 Cb 0.22 -0.36 -0.11 0.00 -0.02 0.00 0.00 41.12 40.86 2k4z n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k4z n GLY 36 N 2.21 4.13 0.05 0.44 0.00 -1.14 -4.91 105.19 105.97 2k4z n GLY 36 Ca -0.44 -2.58 0.03 0.00 0.00 0.00 0.00 46.02 43.03 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 1.73 0.17 -3.92 1.61 7.64 -0.50 -1.17 113.62 119.18 2k4z n SER 37 Ca 0.23 0.56 -0.30 0.00 1.01 0.00 0.00 58.87 60.36 2k4z n SER 37 Cb 0.37 -0.58 -0.14 0.00 -1.01 0.00 0.00 64.21 62.85 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 -3.13 2.13 -0.07 0.44 1.01 -1.25 -3.78 121.20 116.53 2k4z s ILE 38 Ca -0.01 -2.67 0.04 0.00 0.00 0.00 0.00 60.65 58.02 2k4z s ILE 38 Cb 0.02 -2.52 -0.01 0.00 0.01 0.00 0.00 42.46 39.95 2k4z s ILE 38 CO 0.06 -0.73 -0.21 -0.62 0.00 0.00 0.00 174.94 173.44 2k4z s ASP 39 N 0.41 3.39 -0.12 3.58 2.15 -0.34 -4.98 116.67 120.77 2k4z s ASP 39 Ca 0.14 -0.43 -0.02 0.00 0.43 0.00 0.00 52.55 52.67 2k4z s ASP 39 Cb -0.22 -1.02 -0.03 0.00 -0.30 0.00 0.00 42.92 41.35 2k4z s ASP 39 CO -0.05 0.24 -0.06 -0.31 -0.17 0.00 0.00 175.17 174.82 2k4z s TYR 40 N -0.13 2.98 -0.07 -5.34 2.02 -1.26 -1.29 117.35 114.25 2k4z s TYR 40 Ca -0.03 -0.22 0.01 0.00 -0.37 0.00 0.00 57.07 56.46 2k4z s TYR 40 Cb -0.14 -1.86 0.02 0.00 -0.40 0.00 0.00 41.96 39.58 2k4z s TYR 40 CO 0.04 0.08 -0.09 1.03 -1.57 0.00 0.00 175.55 175.04 2k4z s ARG 41 N -0.05 1.40 -0.22 -0.62 0.52 0.92 -5.00 118.95 115.90 2k4z s ARG 41 Ca 0.01 -0.29 0.02 0.00 -0.52 0.00 0.00 55.73 54.95 2k4z s ARG 41 Cb -0.13 -1.27 0.05 0.00 0.52 0.00 0.00 34.95 34.12 2k4z s ARG 41 CO 0.03 -0.06 -0.13 -1.64 0.02 0.00 0.00 175.30 173.52 2k4z s MET 42 N 0.94 2.32 0.12 3.54 -1.94 -1.26 -0.17 119.30 122.85 2k4z s MET 42 Ca -0.10 -1.07 0.02 0.00 -1.71 0.00 0.00 55.69 52.84 2k4z s MET 42 Cb -0.15 -2.67 -0.04 0.00 2.01 0.00 0.00 34.83 33.98 2k4z s MET 42 CO 0.01 -0.45 -0.06 0.20 -0.01 0.00 0.00 175.02 174.70 2k4z s GLY 43 N 1.24 0.91 -0.14 -0.03 0.00 -0.68 -4.99 107.32 103.64 2k4z s GLY 43 Ca -0.03 -1.42 -0.19 0.00 0.00 0.00 0.00 44.72 43.07 2k4z s GLY 43 CO -0.08 -1.50 0.54 -1.36 0.00 0.00 0.00 173.10 170.70 2k4z s PHE 44 N -3.56 3.47 0.00 1.90 0.08 -1.26 0.15 117.98 118.76 2k4z s PHE 44 Ca 0.15 0.92 0.00 0.00 0.12 0.00 0.00 56.93 58.12 2k4z s PHE 44 Cb 0.05 -2.65 0.00 0.00 -0.57 0.00 0.00 43.02 39.85 2k4z s PHE 44 CO -0.02 0.05 0.00 -3.47 -0.10 0.00 0.00 175.22 171.68 2k4z n ASP 45 N 4.11 0.00 -4.92 1.36 -0.08 0.12 -4.90 116.55 112.24 2k4z n ASP 45 Ca -0.05 -0.41 -0.21 0.00 -1.51 0.00 0.00 54.79 52.61 2k4z n ASP 45 Cb 0.51 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.94 2k4z n ASP 45 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 2k4z s ASP 46 N 0.20 5.99 -0.40 1.67 1.01 -1.26 -0.84 116.67 123.03 2k4z s ASP 46 Ca 0.00 -0.07 -0.22 0.00 0.71 0.00 0.00 52.55 52.97 2k4z s ASP 46 Cb 0.00 -1.64 0.01 0.00 1.01 0.00 0.00 42.92 42.30 2k4z s ASP 46 CO 0.00 -0.08 0.70 -0.22 0.21 0.00 0.00 175.17 175.77 2k4z s LEU 47 N -3.94 4.30 -0.13 1.23 0.20 -1.26 -4.80 118.68 114.28 2k4z s LEU 47 Ca 0.34 -0.01 -0.16 0.00 0.69 0.00 0.00 54.13 55.00 2k4z s LEU 47 Cb -0.09 -2.85 -0.05 0.00 -0.43 0.00 0.00 46.19 42.78 2k4z s LEU 47 CO 0.28 -0.74 0.38 0.42 -0.29 0.00 0.00 176.35 176.39 2k4z s THR 48 N 2.94 5.24 0.14 3.68 -4.23 -1.26 -5.00 115.64 117.15 2k4z s THR 48 Ca 0.26 0.73 -0.04 0.00 -1.18 0.00 0.00 61.69 61.47 2k4z s THR 48 Cb -0.14 -3.71 -0.17 0.00 1.34 0.00 0.00 72.50 69.83 2k4z s THR 48 CO 0.18 0.38 1.33 -0.33 -0.54 0.00 0.00 174.62 175.64 2k4z h GLU 49 N 6.55 0.43 0.00 3.99 5.08 -2.01 -3.17 114.58 125.44 2k4z h GLU 49 Ca -0.42 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 57.51 2k4z h GLU 49 Cb 1.17 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2k4z h GLU 49 CO 0.75 1.09 -0.47 0.38 -1.00 0.00 0.00 179.01 179.75 2k4z h ASP 50 N 0.25 0.00 -3.95 1.42 2.03 -2.03 -3.45 116.42 110.69 2k4z h ASP 50 Ca -0.07 -0.02 -0.51 0.00 -0.73 0.00 0.00 57.03 55.71 2k4z h ASP 50 Cb 1.52 0.00 0.05 0.00 -0.83 0.00 0.00 39.33 40.07 2k4z h ASP 50 CO 0.16 0.01 0.50 -0.62 -1.03 0.00 0.00 179.24 178.25 2k4z s ASP 51 N -5.59 6.51 -0.26 4.15 2.15 -1.20 -4.85 116.67 117.58 2k4z s ASP 51 Ca 0.04 2.32 -0.30 0.00 0.43 0.00 0.00 52.55 55.05 2k4z s ASP 51 Cb 0.08 -2.61 -0.06 0.00 -0.30 0.00 0.00 42.92 40.02 2k4z s ASP 51 CO 0.72 -0.68 2.23 -0.38 -0.17 0.00 0.00 175.17 176.88 2k4z n ILE 52 N 0.02 0.29 -3.25 4.11 5.41 -0.69 -4.73 119.36 120.53 2k4z n ILE 52 Ca 0.05 -0.43 -0.38 0.00 1.00 0.00 0.00 62.75 62.98 2k4z n ILE 52 Cb 0.47 -2.37 -0.06 0.00 -0.71 0.00 0.00 39.64 36.97 2k4z n ILE 52 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2k4z s ARG 53 N 6.41 4.30 -0.31 0.38 3.52 -1.26 0.27 118.95 132.26 2k4z s ARG 53 Ca 1.03 0.62 -0.01 0.00 -0.13 0.00 0.00 55.73 57.24 2k4z s ARG 53 Cb -0.45 -3.38 0.10 0.00 -1.56 0.00 0.00 34.95 29.66 2k4z s ARG 53 CO 0.38 0.28 0.09 -1.17 -0.81 0.00 0.00 175.30 174.08 2k4z s LEU 54 N 0.14 2.23 -0.51 -0.88 2.96 0.14 -4.98 118.68 117.78 2k4z s LEU 54 Ca 0.29 -1.61 -0.25 0.00 -0.22 0.00 0.00 54.13 52.35 2k4z s LEU 54 Cb -0.17 -0.87 0.03 0.00 0.50 0.00 0.00 46.19 45.69 2k4z s LEU 54 CO 0.14 -0.41 0.94 -0.89 -1.32 0.00 0.00 176.35 174.82 2k4z s THR 55 N 1.62 4.41 0.57 3.68 2.01 -1.26 -1.32 115.64 125.34 2k4z s THR 55 Ca 0.09 0.50 -0.10 0.00 0.31 0.00 0.00 61.69 62.50 2k4z s THR 55 Cb -0.17 -4.50 0.13 0.00 0.01 0.00 0.00 72.50 67.97 2k4z s THR 55 CO -0.24 -1.00 0.67 -1.20 -0.69 0.00 0.00 174.62 172.15 2k4z n SER 56 N 7.37 -0.47 0.14 3.53 7.64 0.11 -4.93 113.62 127.01 2k4z n SER 56 Ca 0.04 -1.13 0.07 0.00 1.01 0.00 0.00 58.87 58.86 2k4z n SER 56 Cb 0.48 -0.54 0.55 0.00 -1.01 0.00 0.00 64.21 63.69 2k4z n SER 56 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2k4z h GLU 57 N 0.00 0.23 0.00 1.43 5.08 -1.96 -3.29 114.58 116.07 2k4z h GLU 57 Ca -0.23 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.05 2k4z h GLU 57 Cb 0.64 -0.05 -0.12 0.00 0.50 0.00 0.00 28.75 29.72 2k4z h GLU 57 CO 0.16 0.16 -0.41 0.41 -1.00 0.00 0.00 179.01 178.32 2k4z n GLY 58 N -1.51 0.75 2.76 -3.84 0.00 -1.26 -5.10 105.19 96.98 2k4z n GLY 58 Ca 0.00 -0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.06 -0.34 1.61 1.01 -1.24 -5.01 120.40 116.37 2k4z s VAL 59 Ca 0.07 0.25 -0.20 0.00 0.00 0.00 0.00 61.98 62.09 2k4z s VAL 59 Cb 0.08 -0.10 -0.00 0.00 0.00 0.00 0.00 36.38 36.36 2k4z s VAL 59 CO -0.04 0.11 0.63 -0.70 0.00 0.00 0.00 175.10 175.10 2k4z s GLU 60 N 1.25 3.75 0.02 2.72 2.56 -1.26 0.09 118.70 127.83 2k4z s GLU 60 Ca -0.07 0.13 0.08 0.00 0.00 0.00 0.00 54.97 55.11 2k4z s GLU 60 Cb -0.13 -3.78 -0.03 0.00 2.00 0.00 0.00 34.13 32.19 2k4z s GLU 60 CO -0.03 -0.68 -0.24 0.42 -0.56 0.00 0.00 175.26 174.17 2k4z s ILE 61 N 2.67 2.29 -0.10 -3.70 1.01 -0.44 -2.16 121.20 120.78 2k4z s ILE 61 Ca 0.24 -1.25 0.03 0.00 0.00 0.00 0.00 60.65 59.67 2k4z s ILE 61 Cb -0.15 -1.88 0.01 0.00 0.01 0.00 0.00 42.46 40.45 2k4z s ILE 61 CO 0.14 0.42 -0.20 0.68 0.00 0.00 0.00 174.94 175.98 2k4z s VAL 62 N -0.78 1.78 -0.06 2.92 -7.23 0.72 0.27 120.40 118.02 2k4z s VAL 62 Ca 0.12 -0.85 0.02 0.00 -1.81 0.00 0.00 61.98 59.46 2k4z s VAL 62 Cb -0.10 -1.56 0.02 0.00 0.56 0.00 0.00 36.38 35.29 2k4z s VAL 62 CO 0.02 0.50 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.58 2k4z s ILE 63 N 0.51 0.94 0.33 -0.62 1.01 0.14 -2.52 121.20 120.99 2k4z s ILE 63 Ca -0.16 -0.35 -0.28 0.00 0.00 0.00 0.00 60.65 59.86 2k4z s ILE 63 Cb -0.17 -0.89 -0.09 0.00 0.01 0.00 0.00 42.46 41.32 2k4z s ILE 63 CO 0.06 0.31 1.12 0.00 0.00 0.00 0.00 174.94 176.44 2k4z s ALA 64 N 0.81 3.32 0.51 9.38 0.00 -1.26 -1.70 121.76 132.82 2k4z s ALA 64 Ca -0.12 0.92 0.30 0.00 0.00 0.00 0.00 51.96 53.05 2k4z s ALA 64 Cb -0.15 -3.34 1.41 0.00 0.00 0.00 0.00 23.12 21.04 2k4z s ALA 64 CO 0.02 -0.28 1.85 -1.35 0.00 0.00 0.00 175.76 175.99 2k4z h PRO 65 N 3.35 0.09 -0.30 0.00 0.11 -1.97 0.63 132.00 133.91 2k4z h PRO 65 Ca -0.48 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.65 2k4z h PRO 65 Cb 1.22 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 2k4z h PRO 65 CO 0.65 0.06 0.13 -0.44 -0.21 0.00 0.00 178.00 178.20 2k4z h ASP 66 N 0.09 0.19 1.48 -2.05 5.19 -1.98 -3.13 116.42 116.21 2k4z h ASP 66 Ca 0.49 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.91 2k4z h ASP 66 Cb 1.78 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 41.28 2k4z h ASP 66 CO -0.06 0.14 -0.52 1.88 -3.12 0.00 0.00 179.24 177.56 2k4z h TYR 67 N 0.29 0.00 -0.29 4.55 0.05 -1.14 -3.26 116.97 117.17 2k4z h TYR 67 Ca 0.13 0.00 0.08 0.00 0.05 0.00 0.00 58.73 58.99 2k4z h TYR 67 Cb 0.06 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 2k4z h TYR 67 CO -0.11 0.05 0.26 0.28 -1.05 0.00 0.00 178.16 177.59 2k4z h VAL 68 N 0.00 0.60 -0.98 -2.88 2.07 -1.37 -2.76 116.25 110.92 2k4z h VAL 68 Ca -0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.61 2k4z h VAL 68 Cb 1.05 0.81 -0.07 0.00 -1.52 0.00 0.00 31.29 31.55 2k4z h VAL 68 CO 0.01 0.00 0.63 0.77 0.02 0.00 0.00 177.57 178.99 2k4z h SER 69 N 0.00 0.93 -0.47 0.57 4.64 -1.69 -2.07 113.55 115.46 2k4z h SER 69 Ca 0.14 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2k4z h SER 69 Cb 0.65 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2k4z h SER 69 CO -0.00 0.54 0.00 0.18 -0.87 0.00 0.00 176.83 176.68 2k4z n LEU 70 N -4.56 3.28 -0.85 5.97 4.77 -1.04 -4.37 117.00 120.20 2k4z n LEU 70 Ca 0.17 -1.91 0.09 0.00 -0.03 0.00 0.00 56.01 54.33 2k4z n LEU 70 Cb 0.29 -0.31 0.16 0.00 -2.33 0.00 0.00 43.42 41.23 2k4z n LEU 70 CO 0.30 0.80 0.62 0.18 -1.33 0.00 0.00 177.39 177.96 2k4z n LEU 71 N 0.99 2.98 -4.80 2.23 4.77 -0.78 -4.89 117.00 117.50 2k4z n LEU 71 Ca 0.16 -1.56 -0.39 0.00 -0.03 0.00 0.00 56.01 54.20 2k4z n LEU 71 Cb 0.50 -0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 41.33 2k4z n LEU 71 CO 0.12 0.67 0.33 -0.62 -1.33 0.00 0.00 177.39 176.56 2k4z s ASP 72 N -1.19 7.16 0.00 -1.43 2.15 -1.23 -3.60 116.67 118.53 2k4z s ASP 72 Ca 0.29 1.38 0.00 0.00 0.43 0.00 0.00 52.55 54.64 2k4z s ASP 72 Cb 0.17 -2.40 0.00 0.00 -0.30 0.00 0.00 42.92 40.38 2k4z s ASP 72 CO 0.23 0.25 0.00 0.00 -0.17 0.00 0.00 175.17 175.48 2k4z n GLN 73 N 1.71 -0.67 -2.61 4.34 6.02 0.12 -4.98 117.38 121.30 2k4z n GLN 73 Ca -0.09 0.17 -0.43 0.00 -0.01 0.00 0.00 57.00 56.64 2k4z n GLN 73 Cb 0.50 -3.71 -0.02 0.00 1.02 0.00 0.00 30.24 28.03 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 -1.78 4.61 -0.22 5.09 2.01 -1.00 -4.46 115.64 119.89 2k4z s THR 74 Ca 0.00 1.93 -0.09 0.00 0.31 0.00 0.00 61.69 63.84 2k4z s THR 74 Cb 0.00 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 2k4z s THR 74 CO 0.00 -0.13 0.11 -0.89 -0.69 0.00 0.00 174.62 173.02 2k4z s THR 75 N 2.96 5.00 -0.26 -0.82 2.01 -1.12 -2.18 115.64 121.24 2k4z s THR 75 Ca 0.47 0.05 -0.05 0.00 0.31 0.00 0.00 61.69 62.48 2k4z s THR 75 Cb -0.17 -3.30 0.01 0.00 0.01 0.00 0.00 72.50 69.04 2k4z s THR 75 CO 0.11 0.39 0.01 -0.22 -0.69 0.00 0.00 174.62 174.22 2k4z s LEU 76 N 0.83 3.40 0.05 4.42 2.96 0.12 -0.66 118.68 129.80 2k4z s LEU 76 Ca 0.06 -0.63 -0.01 0.00 -0.22 0.00 0.00 54.13 53.33 2k4z s LEU 76 Cb -0.13 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 2k4z s LEU 76 CO 0.02 -0.12 -0.03 -0.62 -1.32 0.00 0.00 176.35 174.29 2k4z s ASP 77 N 1.46 0.51 -0.11 3.68 2.15 -1.01 -1.27 116.67 122.07 2k4z s ASP 77 Ca 0.03 -1.00 -0.00 0.00 0.43 0.00 0.00 52.55 52.00 2k4z s ASP 77 Cb -0.16 0.20 -0.02 0.00 -0.30 0.00 0.00 42.92 42.64 2k4z s ASP 77 CO -0.01 -0.60 -0.10 -0.72 -0.17 0.00 0.00 175.17 173.57 2k4z s TYR 78 N -3.91 2.86 0.06 -5.34 1.13 -1.26 0.25 117.35 111.14 2k4z s TYR 78 Ca 0.07 -0.38 -0.05 0.00 -1.41 0.00 0.00 57.07 55.31 2k4z s TYR 78 Cb 0.08 -1.82 -0.02 0.00 -1.10 0.00 0.00 41.96 39.11 2k4z s TYR 78 CO -0.10 -0.02 0.08 0.14 -2.51 0.00 0.00 175.55 173.14 2k4z s VAL 79 N -0.00 0.16 -1.03 -3.49 -7.23 -0.36 -4.91 120.40 103.54 2k4z s VAL 79 Ca -0.02 -1.34 -0.18 0.00 -1.81 0.00 0.00 61.98 58.62 2k4z s VAL 79 Cb -0.14 -1.20 0.12 0.00 0.56 0.00 0.00 36.38 35.72 2k4z s VAL 79 CO 0.04 -0.74 1.28 -0.70 -0.31 0.00 0.00 175.10 174.67 2k4z s GLU 80 N -3.35 3.73 0.26 4.82 2.12 -1.26 -0.57 118.70 124.44 2k4z s GLU 80 Ca 0.01 -1.84 0.01 0.00 0.36 0.00 0.00 54.97 53.52 2k4z s GLU 80 Cb 0.03 -5.06 0.33 0.00 0.26 0.00 0.00 34.13 29.69 2k4z s GLU 80 CO -0.08 -1.88 1.67 -0.07 -0.54 0.00 0.00 175.26 174.36 2k4z h LEU 81 N 10.81 0.50 -7.99 2.70 3.38 -1.89 -3.42 115.31 119.41 2k4z h LEU 81 Ca 0.22 -0.20 -0.54 0.00 0.09 0.00 0.00 57.88 57.45 2k4z h LEU 81 Cb 0.98 -0.14 -0.34 0.00 0.09 0.00 0.00 40.66 41.25 2k4z h LEU 81 CO 1.21 0.80 -0.82 -1.61 0.09 0.00 0.00 178.44 178.12 2k4z s GLU 82 N -4.36 1.84 -0.31 1.13 2.02 -1.24 -5.08 118.70 112.70 2k4z s GLU 82 Ca -0.07 -0.45 -0.38 0.00 0.02 0.00 0.00 54.97 54.09 2k4z s GLU 82 Cb 0.13 -1.54 -0.14 0.00 0.10 0.00 0.00 34.13 32.68 2k4z s GLU 82 CO 0.80 0.00 1.98 -0.35 0.02 0.00 0.00 175.26 177.71 2k4z n PRO 83 N 3.93 1.11 0.00 0.39 -0.04 -1.26 0.00 135.00 139.13 2k4z n PRO 83 Ca -0.21 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2k4z n PRO 83 Cb 0.52 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 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 5.48 2.59 3.02 0.55 0.00 -1.26 -5.02 105.19 110.54 2k4z n GLY 84 Ca 0.35 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.06 2k4z n GLY 84 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k4z s GLN 85 N -0.93 1.50 -0.24 1.61 -0.21 0.10 -5.07 119.66 116.42 2k4z s GLN 85 Ca 0.00 -1.84 -0.29 0.00 0.02 0.00 0.00 55.36 53.25 2k4z s GLN 85 Cb 0.00 -3.18 0.00 0.00 1.00 0.00 0.00 33.01 30.84 2k4z s GLN 85 CO 0.00 -0.92 1.16 -0.06 -2.12 0.00 0.00 175.29 173.34 2k4z s PHE 86 N 0.92 3.04 0.09 0.91 0.08 -1.26 -3.71 117.98 118.05 2k4z s PHE 86 Ca 0.10 1.17 0.07 0.00 0.12 0.00 0.00 56.93 58.39 2k4z s PHE 86 Cb -0.19 -3.54 -0.04 0.00 -0.57 0.00 0.00 43.02 38.68 2k4z s PHE 86 CO -0.08 -1.11 -0.10 -1.01 -0.10 0.00 0.00 175.22 172.82 2k4z s HIS 87 N 3.59 2.75 -0.08 0.36 3.76 0.26 -4.91 115.29 121.02 2k4z s HIS 87 Ca 0.49 -0.15 -0.28 0.00 -0.15 0.00 0.00 55.06 54.98 2k4z s HIS 87 Cb -0.17 -1.46 -0.02 0.00 1.11 0.00 0.00 32.58 32.05 2k4z s HIS 87 CO 0.14 0.41 0.93 -0.06 -0.85 0.00 0.00 174.74 175.31 2k4z s PHE 88 N -1.17 3.55 -0.08 1.40 0.08 -1.26 -1.22 117.98 119.27 2k4z s PHE 88 Ca 0.21 1.53 -0.01 0.00 0.12 0.00 0.00 56.93 58.77 2k4z s PHE 88 Cb -0.11 -3.09 -0.03 0.00 -0.57 0.00 0.00 43.02 39.22 2k4z s PHE 88 CO 0.13 -0.13 -0.03 0.96 -0.10 0.00 0.00 175.22 176.05 2k4z s ILE 89 N 1.60 4.04 -0.48 0.64 -4.36 0.14 -4.96 121.20 117.81 2k4z s ILE 89 Ca 0.46 -0.35 -0.15 0.00 -0.26 0.00 0.00 60.65 60.36 2k4z s ILE 89 Cb -0.19 -2.68 0.09 0.00 1.25 0.00 0.00 42.46 40.93 2k4z s ILE 89 CO 0.20 0.60 0.40 -0.36 0.24 0.00 0.00 174.94 176.02 2k4z s PHE 90 N -0.80 3.26 -0.78 1.37 0.08 -1.26 -2.40 117.98 117.45 2k4z s PHE 90 Ca 0.12 -1.10 -0.24 0.00 0.12 0.00 0.00 56.93 55.84 2k4z s PHE 90 Cb -0.11 -3.30 0.06 0.00 -0.57 0.00 0.00 43.02 39.09 2k4z s PHE 90 CO 0.02 -0.86 1.18 -0.51 -0.10 0.00 0.00 175.22 174.95 2k4z s LEU 91 N 1.60 3.88 -0.15 -0.37 1.43 0.17 -4.88 118.68 120.36 2k4z s LEU 91 Ca 0.04 -1.00 -0.14 0.00 -1.03 0.00 0.00 54.13 52.00 2k4z s LEU 91 Cb -0.26 -2.49 -0.05 0.00 0.03 0.00 0.00 46.19 43.43 2k4z s LEU 91 CO 0.05 -1.55 0.30 0.20 0.23 0.00 0.00 176.35 175.58 2k4z s ASN 92 N 3.92 6.47 0.13 2.29 -0.87 -1.26 -2.78 114.94 122.83 2k4z s ASN 92 Ca 0.32 0.55 0.25 0.00 -1.57 0.00 0.00 52.86 52.40 2k4z s ASN 92 Cb -0.09 -2.18 0.94 0.00 -0.02 0.00 0.00 41.25 39.89 2k4z s ASN 92 CO 0.06 0.13 1.76 -2.65 -2.57 0.00 0.00 177.10 173.83 2k4z n PRO 93 N 3.36 0.13 -0.09 -0.60 -0.02 -1.26 -3.57 135.00 132.96 2k4z n PRO 93 Ca -0.12 0.20 -0.20 0.00 -2.02 0.00 0.00 63.50 61.36 2k4z n PRO 93 Cb 0.52 -1.69 -0.12 0.00 -0.02 0.00 0.00 33.50 32.19 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 -1.93 0.68 -1.55 -0.52 1.74 -1.26 -4.92 116.66 108.91 2k4z n ARG 94 Ca 0.05 0.21 -0.32 0.00 -0.77 0.00 0.00 57.85 57.03 2k4z n ARG 94 Cb 0.33 -1.59 0.06 0.00 -1.02 0.00 0.00 32.46 30.24 2k4z n ARG 94 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2k4z s ASP 95 N -6.78 5.04 -0.73 0.55 1.11 -1.23 -4.83 116.67 109.80 2k4z s ASP 95 Ca -0.31 1.79 -0.34 0.00 0.18 0.00 0.00 52.55 53.87 2k4z s ASP 95 Cb 0.09 -2.52 -0.18 0.00 1.07 0.00 0.00 42.92 41.38 2k4z s ASP 95 CO 0.64 -1.67 2.47 -0.81 1.18 0.00 0.00 175.17 176.98 2k4z n PRO 96 N -3.01 0.29 -3.62 8.23 -0.04 -1.26 -4.84 135.00 130.75 2k4z n PRO 96 Ca 0.09 0.04 -0.34 0.00 -0.04 0.00 0.00 63.50 63.24 2k4z n PRO 96 Cb 0.53 -1.90 -0.05 0.00 -0.04 0.00 0.00 33.50 32.03 2k4z n PRO 96 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2k4z s THR 97 N 8.55 5.15 -0.30 0.52 2.01 -1.26 -5.01 115.64 125.30 2k4z s THR 97 Ca 1.24 0.35 -0.02 0.00 0.31 0.00 0.00 61.69 63.56 2k4z s THR 97 Cb -1.11 -3.63 0.05 0.00 0.01 0.00 0.00 72.50 67.82 2k4z s THR 97 CO 0.50 0.28 0.00 -0.72 -0.69 0.00 0.00 174.62 173.99 2k4z s TYR 98 N -1.40 3.24 0.05 4.92 -0.85 -1.26 -4.98 117.35 117.06 2k4z s TYR 98 Ca 0.33 -1.80 -0.25 0.00 -0.52 0.00 0.00 57.07 54.83 2k4z s TYR 98 Cb -0.14 -2.11 -0.17 0.00 0.38 0.00 0.00 41.96 39.92 2k4z s TYR 98 CO 0.18 -0.79 1.54 -0.09 -1.52 0.00 0.00 175.55 174.88 2k4z h ARG 99 N 8.02 -0.07 -6.11 -3.49 2.43 -1.99 -3.41 114.38 109.76 2k4z h ARG 99 Ca -0.22 0.01 -0.57 0.00 -0.81 0.00 0.00 59.98 58.38 2k4z h ARG 99 Cb 1.07 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.58 2k4z h ARG 99 CO 0.54 0.12 0.67 -1.25 -1.51 0.00 0.00 179.97 178.55 2k4z s PRO 100 N -5.44 4.31 0.00 0.20 0.04 -1.26 -4.94 135.00 127.91 2k4z s PRO 100 Ca -0.14 1.32 -0.03 0.00 0.04 0.00 0.00 61.00 62.18 2k4z s PRO 100 Cb 0.04 -3.60 -0.14 0.00 0.04 0.00 0.00 34.50 30.84 2k4z s PRO 100 CO 0.65 -0.50 2.54 -2.30 0.04 0.00 0.00 177.00 177.44 2k4z n PRO 101 N 5.79 1.34 -4.39 0.56 -0.02 -1.26 -4.82 135.00 132.19 2k4z n PRO 101 Ca 0.10 -0.52 -0.24 0.00 -2.02 0.00 0.00 63.50 60.82 2k4z n PRO 101 Cb 0.47 -1.61 -0.11 0.00 -0.02 0.00 0.00 33.50 32.23 2k4z n PRO 101 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2k4z s SER 102 N 2.12 3.12 0.00 2.55 0.15 -1.26 -5.01 113.70 115.36 2k4z s SER 102 Ca 0.35 -0.91 0.26 0.00 0.70 0.00 0.00 55.95 56.35 2k4z s SER 102 Cb 0.17 -0.22 1.15 0.00 -1.71 0.00 0.00 66.02 65.41 2k4z s SER 102 CO 0.00 0.02 1.85 0.61 1.20 0.00 0.00 173.24 176.92 2k4z n GLY 103 N 0.05 -1.35 0.00 9.45 0.00 -1.26 -5.11 105.19 106.97 2k4z n GLY 103 Ca -0.11 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2k4z n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93