#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 -0.34 0.42 3.03 0.00 -1.26 -4.93 105.19 102.11 2k4z n GLY -19 Ca 0.00 -0.08 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 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 0.70 -1.00 -3.03 1.61 0.02 -2.10 -3.41 113.55 106.35 2k4z h SER -18 Ca -0.48 0.07 -0.64 0.00 -0.84 0.00 0.00 61.79 59.90 2k4z h SER -18 Cb 1.36 0.31 -0.11 0.00 0.14 0.00 0.00 62.40 64.09 2k4z h SER -18 CO 0.52 -0.59 -0.52 -0.94 -1.14 0.00 0.00 176.83 174.17 2k4z s SER -17 N -4.42 6.04 -0.26 3.07 1.04 -1.26 -5.08 113.70 112.83 2k4z s SER -17 Ca -0.18 0.28 -0.11 0.00 0.48 0.00 0.00 55.95 56.43 2k4z s SER -17 Cb 0.04 -1.98 -0.05 0.00 0.10 0.00 0.00 66.02 64.13 2k4z s SER -17 CO 0.62 0.29 0.17 -1.00 0.98 0.00 0.00 173.24 174.31 2k4z s HIS -16 N -0.34 3.28 0.17 5.02 4.02 -1.26 -4.96 115.29 121.22 2k4z s HIS -16 Ca 0.10 0.19 -0.09 0.00 1.02 0.00 0.00 55.06 56.28 2k4z s HIS -16 Cb -0.12 -2.32 0.05 0.00 -1.02 0.00 0.00 32.58 29.18 2k4z s HIS -16 CO 0.01 -0.03 1.57 0.45 1.02 0.00 0.00 174.74 177.77 2k4z h HIS -15 N 7.87 1.09 -3.61 1.40 3.86 -1.98 -3.40 115.15 120.37 2k4z h HIS -15 Ca -0.37 -0.26 -0.62 0.00 -1.16 0.00 0.00 60.37 57.97 2k4z h HIS -15 Cb 1.18 -0.26 -0.14 0.00 1.06 0.00 0.00 27.41 29.25 2k4z h HIS -15 CO 0.71 1.07 -0.44 -1.01 0.86 0.00 0.00 177.93 179.12 2k4z s HIS -14 N -4.68 3.31 -0.05 2.45 4.02 -1.26 -4.99 115.29 114.09 2k4z s HIS -14 Ca -0.11 0.29 -0.26 0.00 1.02 0.00 0.00 55.06 56.01 2k4z s HIS -14 Cb 0.13 -2.35 -0.22 0.00 -1.02 0.00 0.00 32.58 29.12 2k4z s HIS -14 CO 0.86 0.00 1.11 0.45 1.02 0.00 0.00 174.74 178.19 2k4z h HIS -13 N 7.64 0.11 -4.25 1.40 -0.00 -2.03 -3.43 115.15 114.59 2k4z h HIS -13 Ca -0.37 -0.05 -0.69 0.00 -0.00 0.00 0.00 60.37 59.26 2k4z h HIS -13 Cb 1.17 -0.02 -0.26 0.00 -0.00 0.00 0.00 27.41 28.31 2k4z h HIS -13 CO 0.69 0.73 -0.82 -1.01 -0.00 0.00 0.00 177.93 177.52 2k4z s HIS -12 N -3.56 2.55 -0.11 2.45 0.09 -1.26 -5.10 115.29 110.35 2k4z s HIS -12 Ca -0.16 -0.27 0.01 0.00 -0.00 0.00 0.00 55.06 54.63 2k4z s HIS -12 Cb 0.01 -1.57 -0.02 0.00 -0.00 0.00 0.00 32.58 31.00 2k4z s HIS -12 CO 0.70 0.11 -0.12 -1.01 -0.00 0.00 0.00 174.74 174.42 2k4z s HIS -11 N -0.70 2.81 -0.36 1.40 3.76 -1.26 -5.01 115.29 115.92 2k4z s HIS -11 Ca 0.11 -0.44 0.01 0.00 -0.15 0.00 0.00 55.06 54.59 2k4z s HIS -11 Cb -0.10 -1.79 0.37 0.00 1.11 0.00 0.00 32.58 32.17 2k4z s HIS -11 CO 0.00 -0.05 1.81 0.43 -0.85 0.00 0.00 174.74 176.08 2k4z n SER -10 N 3.11 5.15 -2.39 1.40 7.64 -1.26 -4.19 113.62 123.08 2k4z n SER -10 Ca -0.18 -3.17 -0.17 0.00 1.01 0.00 0.00 58.87 56.36 2k4z n SER -10 Cb 0.53 -0.87 0.02 0.00 -1.01 0.00 0.00 64.21 62.88 2k4z n SER -10 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2k4z n SER -9 N -0.33 3.69 -4.91 6.43 3.41 -1.26 -5.08 113.62 115.57 2k4z n SER -9 Ca 0.40 -3.22 -0.27 0.00 -0.26 0.00 0.00 58.87 55.52 2k4z n SER -9 Cb 0.94 -0.42 0.08 0.00 -0.26 0.00 0.00 64.21 64.55 2k4z n SER -9 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2k4z s GLY -8 N -3.58 1.64 0.52 5.00 0.00 -1.26 -5.04 107.32 104.60 2k4z s GLY -8 Ca 0.42 -0.77 -0.20 0.00 0.00 0.00 0.00 44.72 44.17 2k4z s GLY -8 CO -0.03 -0.34 1.09 1.08 0.00 0.00 0.00 173.10 174.90 2k4z s LEU -7 N -5.39 3.78 -0.16 0.66 2.01 -1.26 -4.54 118.68 113.77 2k4z s LEU -7 Ca 0.61 2.06 -0.08 0.00 0.01 0.00 0.00 54.13 56.73 2k4z s LEU -7 Cb -0.11 -4.57 0.03 0.00 0.01 0.00 0.00 46.19 41.55 2k4z s LEU -7 CO 0.47 -1.04 0.15 0.52 1.01 0.00 0.00 176.35 177.46 2k4z n VAL -6 N -1.19-10.36 -1.83 -1.59 0.31 -1.26 -5.01 118.33 97.40 2k4z n VAL -6 Ca 0.11 1.97 -0.31 0.00 -0.01 0.00 0.00 64.34 66.09 2k4z n VAL -6 Cb 0.52 -5.92 0.02 0.00 -0.91 0.00 0.00 33.84 27.55 2k4z n VAL -6 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2k4z s PRO -5 N -0.86 3.31 0.45 5.55 0.02 -1.26 -4.96 135.00 137.25 2k4z s PRO -5 Ca -0.17 0.93 0.12 0.00 0.02 0.00 0.00 61.00 61.90 2k4z s PRO -5 Cb 0.01 -2.04 1.00 0.00 0.02 0.00 0.00 34.50 33.49 2k4z s PRO -5 CO 0.60 -0.80 2.04 0.00 -0.33 0.00 0.00 177.00 178.51 2k4z h ARG -4 N -0.24 0.19 0.00 5.54 3.08 -1.96 -3.46 114.38 117.53 2k4z h ARG -4 Ca -0.45 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2k4z h ARG -4 Cb 1.20 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.22 2k4z h ARG -4 CO 0.59 0.21 0.00 0.41 -1.07 0.00 0.00 179.97 180.11 2k4z n GLY -3 N -1.26 0.80 1.22 0.04 0.00 -1.26 -4.94 105.19 99.79 2k4z n GLY -3 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2k4z n GLY -3 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k4z n SER -2 N 0.00 3.09 0.00 1.61 3.41 -1.26 -2.28 113.62 118.20 2k4z n SER -2 Ca 0.00 -1.80 0.00 0.00 -0.26 0.00 0.00 58.87 56.81 2k4z n SER -2 Cb 0.00 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 2k4z n SER -2 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2k4z n HIS -1 N 0.96 0.00 -3.32 7.33 -0.00 -1.26 -4.91 115.22 114.02 2k4z n HIS -1 Ca 0.00 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.07 2k4z n HIS -1 Cb 0.40 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.21 2k4z n HIS -1 CO 0.00 0.00 0.00 -1.64 0.46 0.00 0.00 176.34 175.16 2k4z s MET 0 N -0.32 0.54 -1.34 1.57 -1.94 -0.96 -4.88 119.30 111.97 2k4z s MET 0 Ca 0.00 -0.30 -0.12 0.00 -1.71 0.00 0.00 55.69 53.56 2k4z s MET 0 Cb 0.00 -0.44 0.11 0.00 2.01 0.00 0.00 34.83 36.51 2k4z s MET 0 CO 0.00 -1.11 1.94 -1.33 -0.01 0.00 0.00 175.02 174.51 2k4z n MET 1 N 4.84 3.28 -3.16 2.03 0.00 -1.26 -4.87 117.12 117.98 2k4z n MET 1 Ca 0.05 -3.21 -0.44 0.00 0.00 0.00 0.00 57.70 54.10 2k4z n MET 1 Cb 0.48 -3.12 -0.06 0.00 0.00 0.00 0.00 33.22 30.52 2k4z n MET 1 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 175.97 176.09 2k4z s PHE 2 N 1.89 3.04 -0.71 2.03 5.36 -1.26 -2.06 117.98 126.27 2k4z s PHE 2 Ca 0.44 -0.64 -0.20 0.00 -0.96 0.00 0.00 56.93 55.57 2k4z s PHE 2 Cb 0.09 -3.63 0.11 0.00 -0.34 0.00 0.00 43.02 39.25 2k4z s PHE 2 CO -0.02 -1.08 0.89 0.15 -1.46 0.00 0.00 175.22 173.69 2k4z s LYS 3 N 2.61 3.24 -0.19 10.12 1.02 -0.78 -4.89 119.74 130.87 2k4z s LYS 3 Ca 0.14 -1.37 -0.17 0.00 0.02 0.00 0.00 55.97 54.59 2k4z s LYS 3 Cb -0.20 -4.43 -0.04 0.00 -0.52 0.00 0.00 37.83 32.64 2k4z s LYS 3 CO 0.10 -1.66 0.44 -1.17 -0.92 0.00 0.00 175.35 172.15 2k4z s LEU 4 N 2.91 4.16 0.41 3.17 0.20 -1.26 0.19 118.68 128.47 2k4z s LEU 4 Ca 0.20 0.60 -0.22 0.00 0.69 0.00 0.00 54.13 55.39 2k4z s LEU 4 Cb -0.16 -2.59 -0.10 0.00 -0.43 0.00 0.00 46.19 42.90 2k4z s LEU 4 CO 0.02 -0.10 0.97 0.42 -0.29 0.00 0.00 176.35 177.38 2k4z s THR 5 N 1.34 4.18 0.28 3.68 -4.23 -0.40 -4.91 115.64 115.58 2k4z s THR 5 Ca 0.21 1.48 -0.00 0.00 -1.18 0.00 0.00 61.69 62.20 2k4z s THR 5 Cb -0.15 -3.67 0.28 0.00 1.34 0.00 0.00 72.50 70.30 2k4z s THR 5 CO 0.09 -0.17 1.88 -0.65 -0.54 0.00 0.00 174.62 175.23 2k4z h PRO 6 N 2.18 1.06 -0.24 3.99 0.11 -1.97 -0.13 132.00 137.00 2k4z h PRO 6 Ca -0.49 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.50 2k4z h PRO 6 Cb 1.19 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 2k4z h PRO 6 CO 0.62 0.70 -0.13 0.00 -0.21 0.00 0.00 178.00 178.98 2k4z h ALA 7 N 1.49 1.35 -0.16 -0.75 0.00 -1.93 0.83 119.26 120.09 2k4z h ALA 7 Ca 0.43 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 2k4z h ALA 7 Cb 0.25 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2k4z h ALA 7 CO -0.18 0.44 -0.35 0.00 0.00 0.00 0.00 179.25 179.16 2k4z h ALA 8 N 1.51 0.26 -0.86 0.00 0.00 -1.60 -2.97 119.26 115.60 2k4z h ALA 8 Ca 0.07 -0.43 0.05 0.00 0.00 0.00 0.00 54.91 54.60 2k4z h ALA 8 Cb 0.45 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 2k4z h ALA 8 CO 0.03 0.32 0.54 0.00 0.00 0.00 0.00 179.25 180.13 2k4z h ALA 9 N 0.56 1.16 -0.70 0.00 0.00 -0.58 -0.85 119.26 118.85 2k4z h ALA 9 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.97 2k4z h ALA 9 Cb 0.95 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 2k4z h ALA 9 CO 0.08 0.30 0.37 1.49 0.00 0.00 0.00 179.25 181.49 2k4z h GLU 10 N 0.99 0.64 -0.36 0.00 4.81 -0.83 0.42 114.58 120.25 2k4z h GLU 10 Ca 0.36 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.41 2k4z h GLU 10 Cb 0.13 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 2k4z h GLU 10 CO -0.16 0.42 -0.37 0.37 -0.73 0.00 0.00 179.01 178.54 2k4z h GLN 11 N 0.66 0.84 -0.32 1.92 5.75 -1.14 -0.55 115.11 122.27 2k4z h GLN 11 Ca 0.33 -0.43 -0.01 0.00 -0.15 0.00 0.00 58.65 58.39 2k4z h GLN 11 Cb 0.28 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 2k4z h GLN 11 CO -0.23 1.07 0.16 0.28 -2.65 0.00 0.00 178.83 177.46 2k4z h VAL 12 N 0.69 1.15 -0.54 2.39 2.07 -0.54 0.24 116.25 121.72 2k4z h VAL 12 Ca 0.06 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 2k4z h VAL 12 Cb 0.94 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 2k4z h VAL 12 CO 0.09 0.16 0.13 -0.07 0.02 0.00 0.00 177.57 177.90 2k4z h LEU 13 N 0.39 0.77 -0.47 2.57 4.07 -0.84 -0.69 115.31 121.11 2k4z h LEU 13 Ca 0.11 -0.13 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 2k4z h LEU 13 Cb 0.11 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.63 2k4z h LEU 13 CO -0.01 0.75 0.26 0.50 -1.08 0.00 0.00 178.44 178.86 2k4z h LYS 14 N 0.80 0.65 -0.64 1.13 3.64 -0.61 0.21 116.57 121.74 2k4z h LYS 14 Ca 0.18 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.43 2k4z h LYS 14 Cb 0.29 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 2k4z h LYS 14 CO -0.00 0.51 0.18 0.00 -2.27 0.00 0.00 179.45 177.87 2k4z h ALA 15 N 1.11 1.10 0.00 5.00 0.00 -0.51 -1.28 119.26 124.67 2k4z h ALA 15 Ca 0.17 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2k4z h ALA 15 Cb 0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2k4z h ALA 15 CO -0.03 0.61 -0.51 0.00 0.00 0.00 0.00 179.25 179.32 2k4z h ALA 16 N 1.24 1.09 0.00 0.00 0.00 -0.76 -2.75 119.26 118.07 2k4z h ALA 16 Ca 0.21 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2k4z h ALA 16 Cb 0.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2k4z h ALA 16 CO -0.00 0.64 0.00 -0.22 0.00 0.00 0.00 179.25 179.66 2k4z h LYS 17 N 0.00 0.00 -0.76 0.00 3.64 0.22 -3.02 116.57 116.66 2k4z h LYS 17 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2k4z h LYS 17 Cb 0.94 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.72 2k4z h LYS 17 CO 0.07 0.00 0.48 1.96 -2.27 0.00 0.00 179.45 179.68 2k4z h GLN 18 N 0.00 1.02 0.00 1.90 4.20 -0.95 -3.48 115.11 117.81 2k4z h GLN 18 Ca 0.00 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2k4z h GLN 18 Cb 0.73 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2k4z h GLN 18 CO 0.00 0.71 0.00 0.41 -0.67 0.00 0.00 178.83 179.28 2k4z n GLY 19 N -1.23 3.55 0.31 3.46 0.00 -1.14 -4.98 105.19 105.16 2k4z n GLY 19 Ca 0.07 -0.73 -0.17 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.76 -2.73 -0.02 0.00 -1.84 -2.82 103.07 94.91 2k4z h GLY 20 Ca 0.00 0.28 -0.19 0.00 0.00 0.00 0.00 47.33 47.42 2k4z h GLY 20 CO 0.00 -0.28 0.24 -1.30 0.00 0.00 0.00 176.54 175.20 2k4z n THR 21 N -5.39 1.81 0.04 4.70 -2.24 -1.26 -3.99 114.28 107.94 2k4z n THR 21 Ca -0.12 -0.73 -0.20 0.00 -2.27 0.00 0.00 64.05 60.73 2k4z n THR 21 Cb 0.31 -0.78 -0.14 0.00 -2.10 0.00 0.00 70.33 67.62 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 0.45 0.28 -1.51 -0.78 4.81 -1.62 -3.31 114.58 112.91 2k4z h GLU 22 Ca 0.23 -0.48 -0.20 0.00 -0.13 0.00 0.00 59.36 58.78 2k4z h GLU 22 Cb 1.69 0.18 -0.09 0.00 0.63 0.00 0.00 28.75 31.15 2k4z h GLU 22 CO 0.41 1.23 0.26 0.41 -0.73 0.00 0.00 179.01 180.59 2k4z n GLY 23 N 1.68 3.37 3.34 1.92 0.00 -1.26 -4.84 105.19 109.40 2k4z n GLY 23 Ca -0.17 -0.63 -0.18 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.17 1.48 0.13 1.61 -1.94 -1.24 -4.94 119.30 113.22 2k4z s MET 24 Ca 0.20 -1.81 0.05 0.00 -1.71 0.00 0.00 55.69 52.42 2k4z s MET 24 Cb 0.16 -0.32 -0.04 0.00 2.01 0.00 0.00 34.83 36.64 2k4z s MET 24 CO 0.01 -0.31 -0.13 0.00 -0.01 0.00 0.00 175.02 174.58 2k4z s LEU 26 N -2.67 4.06 -0.09 0.00 2.96 -1.25 0.21 118.68 121.90 2k4z s LEU 26 Ca 0.11 0.79 0.02 0.00 -0.22 0.00 0.00 54.13 54.82 2k4z s LEU 26 Cb -0.03 -3.18 -0.02 0.00 0.50 0.00 0.00 46.19 43.46 2k4z s LEU 26 CO 0.02 -0.66 -0.13 -0.60 -1.32 0.00 0.00 176.35 173.67 2k4z s ARG 27 N 3.08 2.91 0.01 1.98 3.52 0.22 -0.70 118.95 129.97 2k4z s ARG 27 Ca 0.35 -0.68 0.04 0.00 -0.13 0.00 0.00 55.73 55.32 2k4z s ARG 27 Cb -0.14 -2.51 -0.03 0.00 -1.56 0.00 0.00 34.95 30.71 2k4z s ARG 27 CO 0.12 0.45 -0.12 -0.51 -0.81 0.00 0.00 175.30 174.44 2k4z s LEU 28 N -0.27 2.92 0.01 -0.88 1.43 -1.20 -1.84 118.68 118.86 2k4z s LEU 28 Ca 0.02 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 2k4z s LEU 28 Cb -0.13 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.40 2k4z s LEU 28 CO 0.03 0.29 -0.02 0.00 0.23 0.00 0.00 176.35 176.87 2k4z s ALA 29 N -0.93 0.12 -0.44 4.21 0.00 -0.65 -4.64 121.76 119.43 2k4z s ALA 29 Ca 0.15 -0.34 -0.13 0.00 0.00 0.00 0.00 51.96 51.64 2k4z s ALA 29 Cb -0.11 0.06 0.06 0.00 0.00 0.00 0.00 23.12 23.14 2k4z s ALA 29 CO 0.06 -0.07 0.33 0.00 0.00 0.00 0.00 175.76 176.08 2k4z s ALA 30 N -0.77 3.46 -0.42 0.00 0.00 -1.26 0.24 121.76 123.00 2k4z s ALA 30 Ca -0.08 -2.04 -0.19 0.00 0.00 0.00 0.00 51.96 49.66 2k4z s ALA 30 Cb -0.05 -2.90 0.02 0.00 0.00 0.00 0.00 23.12 20.18 2k4z s ALA 30 CO -0.00 -1.65 0.52 0.20 0.00 0.00 0.00 175.76 174.83 2k4z s GLY 31 N 2.28 1.82 -0.30 0.00 0.00 0.13 -4.90 107.32 106.34 2k4z s GLY 31 Ca 0.04 -1.37 -0.29 0.00 0.00 0.00 0.00 44.72 43.10 2k4z s GLY 31 CO 0.06 1.31 1.29 0.50 0.00 0.00 0.00 173.10 176.26 2k4z s ARG 32 N 2.41 3.92 -0.48 2.90 0.52 -1.26 -0.24 118.95 126.71 2k4z s ARG 32 Ca 0.16 1.23 -0.12 0.00 -0.52 0.00 0.00 55.73 56.48 2k4z s ARG 32 Cb -0.16 -3.87 0.11 0.00 0.52 0.00 0.00 34.95 31.55 2k4z s ARG 32 CO 0.16 -1.12 0.38 -0.80 0.02 0.00 0.00 175.30 173.94 2k4z s ASN 33 N 2.75 5.89 0.65 0.23 0.01 0.01 -4.95 114.94 119.52 2k4z s ASN 33 Ca 0.56 -1.73 0.40 0.00 -0.71 0.00 0.00 52.86 51.38 2k4z s ASN 33 Cb -0.16 -2.09 2.25 0.00 0.41 0.00 0.00 41.25 41.66 2k4z s ASN 33 CO 0.23 -0.71 2.33 -0.65 -1.51 0.00 0.00 177.10 176.79 2k4z h PRO 34 N 8.61 0.00 0.00 -0.60 0.11 -1.94 0.25 132.00 138.43 2k4z h PRO 34 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2k4z h PRO 34 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2k4z h PRO 34 CO 0.90 0.00 -0.56 -3.47 -0.21 0.00 0.00 178.00 174.66 2k4z n ASP 35 N -3.30 0.56 0.00 -2.05 2.03 -1.26 -4.81 116.55 107.71 2k4z n ASP 35 Ca -0.03 -0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.19 2k4z n ASP 35 Cb 0.08 0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 2k4z n ASP 35 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k4z n GLY 36 N 1.44 0.27 1.35 0.27 0.00 -0.05 -5.18 105.19 103.29 2k4z n GLY 36 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 2k4z n GLY 36 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k4z n SER 37 N -0.46 -0.73 -4.54 1.61 3.41 -0.48 -4.99 113.62 107.44 2k4z n SER 37 Ca 0.00 -1.46 -0.43 0.00 -0.26 0.00 0.00 58.87 56.72 2k4z n SER 37 Cb 0.00 1.21 -0.05 0.00 -0.26 0.00 0.00 64.21 65.11 2k4z n SER 37 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2k4z s ILE 38 N -2.55 4.57 -0.12 -1.33 1.01 -0.95 -0.81 121.20 121.01 2k4z s ILE 38 Ca 0.07 0.43 -0.20 0.00 0.00 0.00 0.00 60.65 60.95 2k4z s ILE 38 Cb -0.01 -4.39 -0.04 0.00 0.01 0.00 0.00 42.46 38.03 2k4z s ILE 38 CO 0.03 -0.83 0.55 -1.81 0.00 0.00 0.00 174.94 172.88 2k4z s ASP 39 N 2.33 6.75 -0.32 3.58 1.11 0.67 -4.77 116.67 126.02 2k4z s ASP 39 Ca 0.31 0.90 -0.19 0.00 0.18 0.00 0.00 52.55 53.75 2k4z s ASP 39 Cb -0.12 -2.32 -0.01 0.00 1.07 0.00 0.00 42.92 41.53 2k4z s ASP 39 CO 0.22 -0.07 0.54 -0.31 1.18 0.00 0.00 175.17 176.73 2k4z s TYR 40 N 0.89 3.21 -0.16 4.23 2.02 -1.26 0.18 117.35 126.46 2k4z s TYR 40 Ca 0.29 0.39 -0.10 0.00 -0.37 0.00 0.00 57.07 57.29 2k4z s TYR 40 Cb -0.16 -2.90 -0.05 0.00 -0.40 0.00 0.00 41.96 38.46 2k4z s TYR 40 CO 0.12 -0.46 0.17 1.03 -1.57 0.00 0.00 175.55 174.84 2k4z s ARG 41 N 2.44 3.95 -0.15 -0.62 0.52 0.14 -4.95 118.95 120.27 2k4z s ARG 41 Ca 0.21 -0.12 -0.05 0.00 -0.52 0.00 0.00 55.73 55.25 2k4z s ARG 41 Cb -0.15 -3.34 -0.03 0.00 0.52 0.00 0.00 34.95 31.95 2k4z s ARG 41 CO 0.12 0.46 0.00 1.41 0.02 0.00 0.00 175.30 177.32 2k4z s MET 42 N -0.14 3.67 0.08 3.54 -2.45 -1.26 -1.64 119.30 121.10 2k4z s MET 42 Ca 0.12 -0.44 -0.20 0.00 -1.25 0.00 0.00 55.69 53.92 2k4z s MET 42 Cb -0.12 -3.00 0.05 0.00 1.25 0.00 0.00 34.83 33.01 2k4z s MET 42 CO 0.01 0.33 0.48 0.20 1.05 0.00 0.00 175.02 177.09 2k4z s GLY 43 N 0.16 -0.38 -0.33 2.11 0.00 -0.77 -5.04 107.32 103.08 2k4z s GLY 43 Ca 0.01 0.38 -0.22 0.00 0.00 0.00 0.00 44.72 44.89 2k4z s GLY 43 CO 0.02 0.09 0.72 -1.36 0.00 0.00 0.00 173.10 172.57 2k4z s PHE 44 N -2.91 3.17 0.00 1.90 0.08 -1.26 -0.61 117.98 118.35 2k4z s PHE 44 Ca -0.03 0.61 0.00 0.00 0.12 0.00 0.00 56.93 57.63 2k4z s PHE 44 Cb -0.00 -3.19 0.00 0.00 -0.57 0.00 0.00 43.02 39.25 2k4z s PHE 44 CO -0.05 -0.60 0.00 -3.47 -0.10 0.00 0.00 175.22 171.00 2k4z n ASP 45 N 6.15 1.00 -4.81 1.36 -0.08 0.13 -4.89 116.55 115.41 2k4z n ASP 45 Ca 0.01 -0.43 -0.38 0.00 -1.51 0.00 0.00 54.79 52.48 2k4z n ASP 45 Cb 0.48 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.88 2k4z n ASP 45 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2k4z s ASP 46 N 0.14 6.74 0.09 1.67 2.15 -1.26 -0.63 116.67 125.56 2k4z s ASP 46 Ca 0.00 0.87 -0.30 0.00 0.43 0.00 0.00 52.55 53.55 2k4z s ASP 46 Cb 0.00 -2.24 -0.05 0.00 -0.30 0.00 0.00 42.92 40.33 2k4z s ASP 46 CO 0.00 0.26 1.03 -0.22 -0.17 0.00 0.00 175.17 176.07 2k4z s LEU 47 N -0.69 4.45 -0.01 -1.34 0.20 -1.26 -4.83 118.68 115.21 2k4z s LEU 47 Ca 0.23 1.85 0.02 0.00 0.69 0.00 0.00 54.13 56.92 2k4z s LEU 47 Cb -0.16 -3.59 -0.00 0.00 -0.43 0.00 0.00 46.19 42.01 2k4z s LEU 47 CO 0.12 -0.20 -0.07 -0.89 -0.29 0.00 0.00 176.35 175.02 2k4z s THR 48 N 0.36 0.52 0.02 3.68 2.01 -1.26 -5.06 115.64 115.91 2k4z s THR 48 Ca 0.50 -0.28 -0.17 0.00 0.31 0.00 0.00 61.69 62.06 2k4z s THR 48 Cb -0.25 -0.44 -0.35 0.00 0.01 0.00 0.00 72.50 71.48 2k4z s THR 48 CO 0.30 0.15 0.99 -0.33 -0.69 0.00 0.00 174.62 175.04 2k4z h GLU 49 N 5.99 0.52 -0.13 4.92 5.08 -2.00 -3.26 114.58 125.70 2k4z h GLU 49 Ca -0.29 -0.88 -0.07 0.00 -1.00 0.00 0.00 59.36 57.12 2k4z h GLU 49 Cb 1.19 0.33 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 2k4z h GLU 49 CO 0.50 1.42 -0.25 0.22 -1.00 0.00 0.00 179.01 179.90 2k4z h ASP 50 N 0.09 0.22 -3.55 1.42 3.58 -2.03 -3.42 116.42 112.73 2k4z h ASP 50 Ca -0.24 -0.06 -0.52 0.00 0.42 0.00 0.00 57.03 56.62 2k4z h ASP 50 Cb 2.11 -0.06 0.04 0.00 1.72 0.00 0.00 39.33 43.14 2k4z h ASP 50 CO 0.26 0.47 0.65 -0.62 -2.88 0.00 0.00 179.24 177.13 2k4z s ASP 51 N -6.88 6.86 -0.24 2.28 2.15 -1.23 -4.89 116.67 114.72 2k4z s ASP 51 Ca -0.05 2.51 -0.28 0.00 0.43 0.00 0.00 52.55 55.15 2k4z s ASP 51 Cb 0.15 -2.62 -0.04 0.00 -0.30 0.00 0.00 42.92 40.11 2k4z s ASP 51 CO 0.75 -0.53 1.94 -0.63 -0.17 0.00 0.00 175.17 176.53 2k4z s ILE 52 N -0.33 3.30 0.01 4.11 1.01 -1.10 -4.79 121.20 123.41 2k4z s ILE 52 Ca 0.54 0.31 -0.03 0.00 0.00 0.00 0.00 60.65 61.48 2k4z s ILE 52 Cb -0.38 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 2k4z s ILE 52 CO 0.43 -0.21 0.21 -0.13 0.00 0.00 0.00 174.94 175.24 2k4z s ARG 53 N 5.65 3.47 0.31 2.79 0.52 -1.26 -0.50 118.95 129.93 2k4z s ARG 53 Ca 0.87 -0.30 0.10 0.00 -0.52 0.00 0.00 55.73 55.88 2k4z s ARG 53 Cb -0.29 -3.07 -0.06 0.00 0.52 0.00 0.00 34.95 32.05 2k4z s ARG 53 CO 0.34 0.65 -0.12 -0.51 0.02 0.00 0.00 175.30 175.68 2k4z s LEU 54 N -2.06 2.65 -0.31 2.53 1.43 0.19 -4.93 118.68 118.18 2k4z s LEU 54 Ca 0.29 -1.14 -0.00 0.00 -1.03 0.00 0.00 54.13 52.25 2k4z s LEU 54 Cb -0.13 -0.96 0.13 0.00 0.03 0.00 0.00 46.19 45.26 2k4z s LEU 54 CO 0.20 -0.15 0.28 -0.89 0.23 0.00 0.00 176.35 176.02 2k4z s THR 55 N -2.65 -0.29 -0.79 5.49 2.01 -1.26 -0.21 115.64 117.93 2k4z s THR 55 Ca 0.31 -0.73 -0.19 0.00 0.31 0.00 0.00 61.69 61.39 2k4z s THR 55 Cb 0.00 -0.93 0.13 0.00 0.01 0.00 0.00 72.50 71.71 2k4z s THR 55 CO 0.15 -0.57 0.96 -0.44 -0.69 0.00 0.00 174.62 174.02 2k4z s SER 56 N 2.03 6.47 0.00 3.53 0.01 -0.31 -4.66 113.70 120.76 2k4z s SER 56 Ca 0.12 -1.81 0.00 0.00 1.31 0.00 0.00 55.95 55.57 2k4z s SER 56 Cb -0.15 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2k4z s SER 56 CO -0.25 -1.08 0.00 -0.62 0.41 0.00 0.00 173.24 171.70 2k4z n GLU 57 N 6.36 0.00 0.00 12.44 -0.58 -1.26 -2.56 120.64 135.04 2k4z n GLU 57 Ca 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 2k4z n GLU 57 Cb 0.47 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.34 2k4z n GLU 57 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k4z n GLY 58 N 0.00 0.09 3.67 0.62 0.00 -1.26 -5.09 105.19 103.22 2k4z n GLY 58 Ca 0.00 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 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 4.34 -0.14 1.61 1.01 -1.06 -5.01 120.40 120.15 2k4z s VAL 59 Ca 0.00 1.63 -0.15 0.00 0.00 0.00 0.00 61.98 63.46 2k4z s VAL 59 Cb 0.00 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 2k4z s VAL 59 CO 0.00 -0.09 0.36 -0.70 0.00 0.00 0.00 175.10 174.67 2k4z s GLU 60 N 3.01 4.27 0.00 2.72 2.12 -1.26 -1.16 118.70 128.41 2k4z s GLU 60 Ca 0.54 0.24 0.05 0.00 0.36 0.00 0.00 54.97 56.15 2k4z s GLU 60 Cb -0.22 -3.42 -0.03 0.00 0.26 0.00 0.00 34.13 30.72 2k4z s GLU 60 CO 0.16 0.23 -0.12 0.42 -0.54 0.00 0.00 175.26 175.40 2k4z s ILE 61 N 0.47 3.21 -0.18 -3.70 -1.09 0.71 -3.88 121.20 116.73 2k4z s ILE 61 Ca 0.20 -0.90 -0.00 0.00 -2.23 0.00 0.00 60.65 57.72 2k4z s ILE 61 Cb -0.14 -2.35 0.01 0.00 -1.58 0.00 0.00 42.46 38.40 2k4z s ILE 61 CO 0.07 0.42 -0.16 0.68 -1.23 0.00 0.00 174.94 174.72 2k4z s VAL 62 N -0.91 2.45 -0.06 2.92 -7.23 0.12 0.53 120.40 118.22 2k4z s VAL 62 Ca 0.15 -0.81 -0.00 0.00 -1.81 0.00 0.00 61.98 59.50 2k4z s VAL 62 Cb -0.11 -2.05 0.02 0.00 0.56 0.00 0.00 36.38 34.81 2k4z s VAL 62 CO 0.05 0.51 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.70 2k4z s ILE 63 N 1.26 0.48 0.34 -0.62 1.01 0.34 -3.21 121.20 120.80 2k4z s ILE 63 Ca 0.03 -0.01 -0.29 0.00 0.00 0.00 0.00 60.65 60.38 2k4z s ILE 63 Cb -0.14 -0.56 -0.11 0.00 0.01 0.00 0.00 42.46 41.67 2k4z s ILE 63 CO -0.09 0.24 1.40 0.00 0.00 0.00 0.00 174.94 176.50 2k4z s ALA 64 N 1.44 3.55 0.37 9.38 0.00 -1.26 -2.70 121.76 132.53 2k4z s ALA 64 Ca -0.03 1.40 0.17 0.00 0.00 0.00 0.00 51.96 53.50 2k4z s ALA 64 Cb -0.13 -3.54 1.09 0.00 0.00 0.00 0.00 23.12 20.54 2k4z s ALA 64 CO -0.03 -0.82 1.71 -1.35 0.00 0.00 0.00 175.76 175.28 2k4z h PRO 65 N 3.47 0.37 -0.46 0.00 0.11 -1.94 0.77 132.00 134.32 2k4z h PRO 65 Ca -0.49 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 2k4z h PRO 65 Cb 1.23 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2k4z h PRO 65 CO 0.67 0.25 0.22 0.22 -0.21 0.00 0.00 178.00 179.14 2k4z h ASP 66 N 0.38 0.58 0.57 -2.05 3.58 -2.03 -2.19 116.42 115.26 2k4z h ASP 66 Ca 0.67 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 58.07 2k4z h ASP 66 Cb 1.63 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.53 2k4z h ASP 66 CO -0.43 0.50 -0.79 -1.22 -2.88 0.00 0.00 179.24 174.42 2k4z n TYR 67 N -4.39 0.30 -0.01 0.28 4.01 0.19 -3.86 117.16 113.68 2k4z n TYR 67 Ca 0.04 0.09 0.07 0.00 -0.16 0.00 0.00 57.90 57.94 2k4z n TYR 67 Cb 0.13 -0.46 0.47 0.00 -0.31 0.00 0.00 39.34 39.17 2k4z n TYR 67 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2k4z h VAL 68 N 0.00 1.01 0.00 -0.72 2.07 -0.69 0.52 116.25 118.45 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 0.68 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2k4z h VAL 68 CO 0.00 0.08 0.00 -0.24 0.02 0.00 0.00 177.57 177.43 2k4z n SER 69 N -4.48 0.00 0.00 0.57 2.88 -1.24 -2.95 113.62 108.41 2k4z n SER 69 Ca 0.05 -1.46 0.00 0.00 -1.33 0.00 0.00 58.87 56.13 2k4z n SER 69 Cb 0.19 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 2k4z n SER 69 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2k4z n LEU 70 N -0.72 1.61 -0.37 2.46 4.77 -0.16 -4.77 117.00 119.83 2k4z n LEU 70 Ca 0.10 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.22 2k4z n LEU 70 Cb 0.04 0.00 0.57 0.00 -2.33 0.00 0.00 43.42 41.70 2k4z n LEU 70 CO 0.07 0.27 0.88 0.18 -1.33 0.00 0.00 177.39 177.46 2k4z n LEU 71 N -2.09 1.18 -4.77 2.23 4.77 -0.01 -4.91 117.00 113.40 2k4z n LEU 71 Ca 0.00 -0.37 -0.39 0.00 -0.03 0.00 0.00 56.01 55.21 2k4z n LEU 71 Cb 0.39 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.45 2k4z n LEU 71 CO 0.00 0.20 0.96 -0.62 -1.33 0.00 0.00 177.39 176.60 2k4z s ASP 72 N -2.09 6.32 -1.43 -1.43 2.15 -1.15 -2.87 116.67 116.18 2k4z s ASP 72 Ca 0.37 2.65 0.00 0.00 0.43 0.00 0.00 52.55 56.00 2k4z s ASP 72 Cb 0.21 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 2k4z s ASP 72 CO 0.37 -0.84 0.00 0.00 -0.17 0.00 0.00 175.17 174.53 2k4z n GLN 73 N 0.14 -1.03 -3.00 4.34 6.02 -0.87 -4.88 117.38 118.10 2k4z n GLN 73 Ca 0.04 0.91 -0.41 0.00 -0.01 0.00 0.00 57.00 57.53 2k4z n GLN 73 Cb 0.44 -5.07 -0.05 0.00 1.02 0.00 0.00 30.24 26.58 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 -2.58 4.96 -0.41 5.09 2.01 -1.14 -4.85 115.64 118.73 2k4z s THR 74 Ca 0.00 1.44 -0.15 0.00 0.31 0.00 0.00 61.69 63.29 2k4z s THR 74 Cb 0.00 -4.05 0.02 0.00 0.01 0.00 0.00 72.50 68.48 2k4z s THR 74 CO 0.00 0.10 0.30 -0.89 -0.69 0.00 0.00 174.62 173.44 2k4z s THR 75 N 1.81 5.26 -0.63 -0.82 2.01 -1.09 -1.86 115.64 120.32 2k4z s THR 75 Ca 0.35 -0.65 -0.24 0.00 0.31 0.00 0.00 61.69 61.46 2k4z s THR 75 Cb -0.16 -3.93 0.05 0.00 0.01 0.00 0.00 72.50 68.46 2k4z s THR 75 CO 0.13 -0.31 1.01 -0.22 -0.69 0.00 0.00 174.62 174.54 2k4z s LEU 76 N 1.69 4.06 0.10 4.42 2.96 0.13 0.35 118.68 132.39 2k4z s LEU 76 Ca 0.05 -0.64 0.04 0.00 -0.22 0.00 0.00 54.13 53.36 2k4z s LEU 76 Cb -0.19 -2.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.85 2k4z s LEU 76 CO 0.10 -1.43 0.08 -0.62 -1.32 0.00 0.00 176.35 173.17 2k4z s ASP 77 N 3.36 5.46 -0.30 3.68 -1.08 -0.14 -1.28 116.67 126.37 2k4z s ASP 77 Ca 0.28 -0.06 -0.01 0.00 -0.52 0.00 0.00 52.55 52.24 2k4z s ASP 77 Cb -0.14 -1.44 0.06 0.00 -1.46 0.00 0.00 42.92 39.95 2k4z s ASP 77 CO 0.15 0.15 0.00 -0.47 0.52 0.00 0.00 175.17 175.51 2k4z s TYR 78 N -1.48 3.33 0.21 -5.34 5.04 -1.26 -0.66 117.35 117.19 2k4z s TYR 78 Ca 0.29 -2.08 0.02 0.00 -2.44 0.00 0.00 57.07 52.86 2k4z s TYR 78 Cb -0.12 -2.23 -0.05 0.00 0.35 0.00 0.00 41.96 39.92 2k4z s TYR 78 CO 0.22 -0.84 0.02 0.14 -1.34 0.00 0.00 175.55 173.75 2k4z s VAL 79 N 1.19 0.73 -0.62 3.14 -7.23 -0.84 -4.86 120.40 111.92 2k4z s VAL 79 Ca -0.04 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.05 2k4z s VAL 79 Cb -0.20 -2.30 0.16 0.00 0.56 0.00 0.00 36.38 34.60 2k4z s VAL 79 CO -0.03 -0.32 0.49 -0.70 -0.31 0.00 0.00 175.10 174.23 2k4z s GLU 80 N -3.93 2.81 0.31 4.82 2.12 -1.26 0.26 118.70 123.82 2k4z s GLU 80 Ca 0.28 -2.20 0.04 0.00 0.36 0.00 0.00 54.97 53.46 2k4z s GLU 80 Cb 0.06 -4.00 0.50 0.00 0.26 0.00 0.00 34.13 30.96 2k4z s GLU 80 CO 0.07 -1.22 1.77 -0.07 -0.54 0.00 0.00 175.26 175.28 2k4z h LEU 81 N 7.82 0.41 -7.63 2.70 3.38 -1.89 -3.42 115.31 116.68 2k4z h LEU 81 Ca -0.07 -0.12 -0.39 0.00 0.09 0.00 0.00 57.88 57.39 2k4z h LEU 81 Cb 1.03 -0.11 -0.35 0.00 0.09 0.00 0.00 40.66 41.32 2k4z h LEU 81 CO 0.79 0.64 -0.76 -0.70 0.09 0.00 0.00 178.44 178.50 2k4z s GLU 82 N -4.55 0.55 -0.48 1.13 -6.30 -1.23 -5.07 118.70 102.75 2k4z s GLU 82 Ca -0.06 0.02 -0.44 0.00 -2.50 0.00 0.00 54.97 51.99 2k4z s GLU 82 Cb 0.14 -0.71 -0.18 0.00 0.00 0.00 0.00 34.13 33.38 2k4z s GLU 82 CO 0.77 -0.15 2.07 -2.30 0.02 0.00 0.00 175.26 175.68 2k4z n PRO 83 N 4.31 0.10 0.00 4.30 -0.02 -1.26 0.71 135.00 143.14 2k4z n PRO 83 Ca -0.22 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 2k4z n PRO 83 Cb 0.50 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 2k4z n PRO 83 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k4z n GLY 84 N 6.95 2.84 3.34 -1.23 0.00 -1.26 -5.02 105.19 110.81 2k4z n GLY 84 Ca 0.51 -0.80 -0.46 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 3.19 0.32 1.61 -0.21 0.22 -5.04 119.66 119.75 2k4z s GLN 85 Ca 0.00 -1.78 -0.27 0.00 0.02 0.00 0.00 55.36 53.33 2k4z s GLN 85 Cb 0.00 -4.36 -0.09 0.00 1.00 0.00 0.00 33.01 29.56 2k4z s GLN 85 CO 0.00 -1.41 1.02 -0.06 -2.12 0.00 0.00 175.29 172.72 2k4z s PHE 86 N 1.65 3.58 -0.00 0.91 0.08 -1.26 -3.11 117.98 119.82 2k4z s PHE 86 Ca 0.11 1.74 0.01 0.00 0.12 0.00 0.00 56.93 58.91 2k4z s PHE 86 Cb -0.22 -3.10 -0.00 0.00 -0.57 0.00 0.00 43.02 39.13 2k4z s PHE 86 CO 0.00 -0.22 -0.04 -1.01 -0.10 0.00 0.00 175.22 173.86 2k4z s HIS 87 N -1.43 0.32 -0.36 0.36 3.76 0.14 -4.94 115.29 113.13 2k4z s HIS 87 Ca 0.49 -0.06 -0.28 0.00 -0.15 0.00 0.00 55.06 55.06 2k4z s HIS 87 Cb -0.25 -0.20 0.02 0.00 1.11 0.00 0.00 32.58 33.26 2k4z s HIS 87 CO 0.31 -0.01 1.04 -0.06 -0.85 0.00 0.00 174.74 175.17 2k4z s PHE 88 N -0.09 3.07 -0.19 1.40 0.40 -1.26 -1.98 117.98 119.32 2k4z s PHE 88 Ca 0.01 0.97 -0.05 0.00 -0.60 0.00 0.00 56.93 57.26 2k4z s PHE 88 Cb -0.01 -3.81 -0.03 0.00 0.51 0.00 0.00 43.02 39.68 2k4z s PHE 88 CO -0.00 -0.88 -0.01 0.96 0.70 0.00 0.00 175.22 175.99 2k4z s ILE 89 N 3.74 3.97 -0.85 0.64 -4.36 0.17 -4.97 121.20 119.53 2k4z s ILE 89 Ca 0.43 -0.31 -0.21 0.00 -0.26 0.00 0.00 60.65 60.30 2k4z s ILE 89 Cb -0.11 -2.78 0.09 0.00 1.25 0.00 0.00 42.46 40.91 2k4z s ILE 89 CO 0.19 0.45 1.14 -0.36 0.24 0.00 0.00 174.94 176.61 2k4z s PHE 90 N 0.79 2.81 -0.93 1.37 0.40 -1.26 -0.96 117.98 120.20 2k4z s PHE 90 Ca 0.00 -0.93 -0.24 0.00 -0.60 0.00 0.00 56.93 55.16 2k4z s PHE 90 Cb -0.14 -4.39 -0.03 0.00 0.51 0.00 0.00 43.02 38.97 2k4z s PHE 90 CO 0.02 -1.66 1.88 -1.17 0.70 0.00 0.00 175.22 174.98 2k4z s LEU 91 N 3.75 3.21 -0.30 -0.37 2.96 0.15 -4.77 118.68 123.32 2k4z s LEU 91 Ca 0.32 -0.83 -0.13 0.00 -0.22 0.00 0.00 54.13 53.27 2k4z s LEU 91 Cb -0.08 -2.56 0.17 0.00 0.50 0.00 0.00 46.19 44.22 2k4z s LEU 91 CO -0.02 -2.58 0.97 0.21 -1.32 0.00 0.00 176.35 173.62 2k4z s ASN 92 N 7.53 -0.62 -0.29 3.68 2.47 -1.26 -2.66 114.94 123.79 2k4z s ASN 92 Ca 0.67 0.62 -0.40 0.00 0.42 0.00 0.00 52.86 54.16 2k4z s ASN 92 Cb -0.05 1.61 -0.15 0.00 -1.45 0.00 0.00 41.25 41.20 2k4z s ASN 92 CO -0.01 -0.12 1.78 -2.65 -3.72 0.00 0.00 177.10 172.38 2k4z n PRO 93 N 5.19 1.12 -0.05 0.43 -0.02 -1.26 -4.79 135.00 135.61 2k4z n PRO 93 Ca -0.07 0.40 -0.00 0.00 -2.02 0.00 0.00 63.50 61.81 2k4z n PRO 93 Cb 0.53 -2.11 0.02 0.00 -0.02 0.00 0.00 33.50 31.92 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 5.62 1.18 0.10 -0.52 1.74 -1.26 -4.25 116.66 119.27 2k4z n ARG 94 Ca 0.28 -0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 2k4z n ARG 94 Cb 0.13 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 2k4z n ARG 94 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2k4z n ASP 95 N 0.13 -1.80 -2.61 0.55 2.03 -1.26 -2.24 116.55 111.36 2k4z n ASP 95 Ca 0.02 0.63 -0.09 0.00 0.52 0.00 0.00 54.79 55.87 2k4z n ASP 95 Cb 0.37 1.93 0.06 0.00 -0.72 0.00 0.00 41.12 42.76 2k4z n ASP 95 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2k4z n PRO 96 N -3.12 -0.48 -3.90 -0.67 -0.02 -1.26 -5.09 135.00 120.47 2k4z n PRO 96 Ca 0.00 -0.64 -0.23 0.00 -2.02 0.00 0.00 63.50 60.61 2k4z n PRO 96 Cb 0.00 -0.43 -0.02 0.00 -0.02 0.00 0.00 33.50 33.02 2k4z n PRO 96 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2k4z s THR 97 N -1.89 5.27 0.09 3.45 2.01 -1.26 -4.65 115.64 118.66 2k4z s THR 97 Ca 0.23 -0.80 0.07 0.00 0.31 0.00 0.00 61.69 61.50 2k4z s THR 97 Cb -0.01 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 2k4z s THR 97 CO 0.17 -0.26 -0.10 -0.47 -0.69 0.00 0.00 174.62 173.27 2k4z s TYR 98 N -1.92 2.75 -0.08 4.92 5.04 -1.26 -4.92 117.35 121.87 2k4z s TYR 98 Ca 0.35 -0.15 -0.02 0.00 -2.44 0.00 0.00 57.07 54.81 2k4z s TYR 98 Cb -0.10 -1.45 0.01 0.00 0.35 0.00 0.00 41.96 40.77 2k4z s TYR 98 CO 0.29 0.41 0.03 -2.13 -1.34 0.00 0.00 175.55 172.82 2k4z n ARG 99 N 0.82 -1.26 -3.47 4.97 0.00 -1.26 -5.03 116.66 111.44 2k4z n ARG 99 Ca -0.14 1.32 -0.37 0.00 -0.00 0.00 0.00 57.85 58.66 2k4z n ARG 99 Cb 0.52 -2.36 -0.07 0.00 0.00 0.00 0.00 32.46 30.55 2k4z n ARG 99 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2k4z s PRO 100 N -0.66 4.24 -0.00 -0.14 0.04 -1.26 -5.02 135.00 132.19 2k4z s PRO 100 Ca -0.04 0.16 -0.20 0.00 0.04 0.00 0.00 61.00 60.97 2k4z s PRO 100 Cb 0.00 -3.46 -0.11 0.00 0.04 0.00 0.00 34.50 30.97 2k4z s PRO 100 CO 0.25 0.15 0.88 -1.00 0.04 0.00 0.00 177.00 177.32 2k4z h PRO 101 N 6.90 -0.68 -4.50 0.56 0.13 -2.03 -3.42 132.00 128.96 2k4z h PRO 101 Ca -0.40 0.05 -0.72 0.00 -0.87 0.00 0.00 66.00 64.06 2k4z h PRO 101 Cb 1.17 0.15 -0.22 0.00 0.13 0.00 0.00 31.00 32.23 2k4z h PRO 101 CO 0.74 -0.45 -0.44 -1.54 -0.23 0.00 0.00 178.00 176.08 2k4z s SER 102 N -4.34 6.05 0.00 1.44 1.04 -1.26 -4.84 113.70 111.78 2k4z s SER 102 Ca -0.10 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.38 2k4z s SER 102 Cb 0.01 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 63.99 2k4z s SER 102 CO 0.31 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.69 2k4z n GLY 103 N 5.13 0.80 0.00 7.32 0.00 -1.26 -5.25 105.19 111.92 2k4z n GLY 103 Ca -0.11 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.22 2k4z n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93