#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4z n GLY -19 N 0.00 -1.47 3.61 3.03 0.00 -1.26 -5.09 105.19 104.01 2k4z n GLY -19 Ca 0.00 0.49 -0.43 0.00 0.00 0.00 0.00 46.02 46.08 2k4z n GLY -19 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k4z n SER -18 N 0.00 3.40 -1.50 1.61 7.64 -1.26 -4.74 113.62 118.77 2k4z n SER -18 Ca 0.00 0.36 -0.04 0.00 1.01 0.00 0.00 58.87 60.20 2k4z n SER -18 Cb 0.00 -1.54 -0.01 0.00 -1.01 0.00 0.00 64.21 61.65 2k4z n SER -18 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2k4z n SER -17 N 10.72 -0.62 -4.57 6.43 3.41 -1.26 -5.08 113.62 122.64 2k4z n SER -17 Ca 0.28 -2.04 -0.40 0.00 -0.26 0.00 0.00 58.87 56.45 2k4z n SER -17 Cb 0.43 0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.58 2k4z n SER -17 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2k4z s HIS -16 N -0.18 1.62 0.10 7.33 5.04 -1.26 -4.86 115.29 123.08 2k4z s HIS -16 Ca 0.09 0.81 -0.17 0.00 -1.54 0.00 0.00 55.06 54.24 2k4z s HIS -16 Cb 0.17 -4.03 -0.06 0.00 0.04 0.00 0.00 32.58 28.70 2k4z s HIS -16 CO -0.06 -2.72 1.54 0.45 -2.34 0.00 0.00 174.74 171.62 2k4z h HIS -15 N 14.65 0.57 -3.29 3.88 -0.00 -2.01 -3.38 115.15 125.57 2k4z h HIS -15 Ca -0.30 -0.10 -0.66 0.00 -0.00 0.00 0.00 60.37 59.32 2k4z h HIS -15 Cb 1.18 -0.15 -0.16 0.00 -0.00 0.00 0.00 27.41 28.28 2k4z h HIS -15 CO 0.99 0.65 0.20 -1.01 -0.00 0.00 0.00 177.93 178.76 2k4z s HIS -14 N -5.02 2.98 -0.14 2.45 0.09 -1.26 -5.03 115.29 109.35 2k4z s HIS -14 Ca -0.13 -0.32 -0.17 0.00 -0.00 0.00 0.00 55.06 54.43 2k4z s HIS -14 Cb 0.08 -3.65 -0.04 0.00 -0.00 0.00 0.00 32.58 28.97 2k4z s HIS -14 CO 0.76 -1.09 0.45 -1.01 -0.00 0.00 0.00 174.74 173.85 2k4z s HIS -13 N 3.01 3.47 -0.79 1.40 4.02 -1.26 -4.96 115.29 120.18 2k4z s HIS -13 Ca 0.20 0.80 0.04 0.00 1.02 0.00 0.00 55.06 57.12 2k4z s HIS -13 Cb -0.17 -2.53 0.23 0.00 -1.02 0.00 0.00 32.58 29.09 2k4z s HIS -13 CO 0.15 0.13 0.85 0.72 1.02 0.00 0.00 174.74 177.60 2k4z n HIS -12 N 3.88 0.58 -3.77 1.40 -0.00 -1.26 -4.76 115.22 111.29 2k4z n HIS -12 Ca -0.08 -0.20 -0.13 0.00 -0.00 0.00 0.00 57.72 57.31 2k4z n HIS -12 Cb 0.51 -0.22 -0.11 0.00 -0.00 0.00 0.00 29.99 30.18 2k4z n HIS -12 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k4z s HIS -11 N -1.49 -0.31 -0.08 4.41 2.46 -1.26 -5.12 115.29 113.90 2k4z s HIS -11 Ca 0.15 0.73 -0.30 0.00 0.47 0.00 0.00 55.06 56.12 2k4z s HIS -11 Cb 0.12 0.11 -0.05 0.00 -0.13 0.00 0.00 32.58 32.62 2k4z s HIS -11 CO 0.04 -0.19 1.65 -1.12 -2.47 0.00 0.00 174.74 172.65 2k4z s SER -10 N -0.05 6.63 0.00 9.88 0.01 -1.26 -4.87 113.70 124.05 2k4z s SER -10 Ca -0.02 2.16 0.00 0.00 1.31 0.00 0.00 55.95 59.40 2k4z s SER -10 Cb -0.03 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2k4z s SER -10 CO 0.01 -0.97 0.86 -1.20 0.41 0.00 0.00 173.24 172.35 2k4z n SER -9 N 7.30 2.47 0.00 2.44 7.64 -1.26 -4.77 113.62 127.44 2k4z n SER -9 Ca 0.17 -1.92 0.00 0.00 1.01 0.00 0.00 58.87 58.14 2k4z n SER -9 Cb 0.43 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 2k4z n SER -9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k4z n GLY -8 N 0.42 2.84 0.17 0.23 0.00 -1.26 -4.82 105.19 102.77 2k4z n GLY -8 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2k4z n GLY -8 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2k4z h LEU -7 N 0.00 -0.35 -6.93 0.99 5.85 -2.00 -3.36 115.31 109.51 2k4z h LEU -7 Ca 0.00 0.05 -0.61 0.00 0.84 0.00 0.00 57.88 58.16 2k4z h LEU -7 Cb 0.00 0.14 -0.40 0.00 0.37 0.00 0.00 40.66 40.77 2k4z h LEU -7 CO 0.00 -0.19 -0.75 0.68 -0.34 0.00 0.00 178.44 177.84 2k4z s VAL -6 N -6.14 1.29 0.42 1.05 -7.23 -1.26 -5.02 120.40 103.50 2k4z s VAL -6 Ca -0.14 -2.53 -0.01 0.00 -1.81 0.00 0.00 61.98 57.49 2k4z s VAL -6 Cb 0.08 -1.90 0.09 0.00 0.56 0.00 0.00 36.38 35.20 2k4z s VAL -6 CO 0.66 -0.92 0.57 -0.81 -0.31 0.00 0.00 175.10 174.30 2k4z n PRO -5 N 3.52 0.11 -2.25 4.82 -0.04 -1.26 -4.87 135.00 135.04 2k4z n PRO -5 Ca 0.10 -1.47 -0.41 0.00 -0.04 0.00 0.00 63.50 61.67 2k4z n PRO -5 Cb 0.35 -0.41 -0.01 0.00 -0.04 0.00 0.00 33.50 33.39 2k4z n PRO -5 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k4z n ARG -4 N -2.08 2.89 -2.73 0.54 3.00 -1.26 -4.76 116.66 112.25 2k4z n ARG -4 Ca 0.09 -2.97 0.00 0.00 -0.01 0.00 0.00 57.85 54.96 2k4z n ARG -4 Cb 0.33 -3.44 0.00 0.00 0.00 0.00 0.00 32.46 29.34 2k4z n ARG -4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k4z n GLY -3 N 5.06 -0.56 0.00 -0.13 0.00 -1.26 -5.00 105.19 103.30 2k4z n GLY -3 Ca 0.49 -0.73 0.06 0.00 0.00 0.00 0.00 46.02 45.84 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 0.81 0.00 1.61 3.41 -1.26 -4.98 113.62 113.21 2k4z n SER -2 Ca 0.00 -0.66 0.00 0.00 -0.26 0.00 0.00 58.87 57.95 2k4z n SER -2 Cb 0.00 1.09 0.00 0.00 -0.26 0.00 0.00 64.21 65.04 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 -1.38 0.00 -2.27 7.33 -0.00 -1.26 -4.95 115.22 112.69 2k4z n HIS -1 Ca 0.02 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.77 2k4z n HIS -1 Cb 0.21 -0.89 -0.03 0.00 -0.12 0.00 0.00 29.99 29.16 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 -0.84 4.31 -0.19 1.57 -1.94 -1.26 -4.90 119.30 116.06 2k4z s MET 0 Ca 0.00 1.92 0.13 0.00 -1.71 0.00 0.00 55.69 56.03 2k4z s MET 0 Cb 0.00 -3.50 0.70 0.00 2.01 0.00 0.00 34.83 34.04 2k4z s MET 0 CO 0.00 -0.50 1.57 -1.33 -0.01 0.00 0.00 175.02 174.75 2k4z n MET 1 N 4.97 4.23 -2.03 2.03 0.00 -1.26 -4.89 117.12 120.17 2k4z n MET 1 Ca 0.12 -2.70 -0.43 0.00 0.00 0.00 0.00 57.70 54.70 2k4z n MET 1 Cb 0.44 -2.11 -0.03 0.00 0.00 0.00 0.00 33.22 31.52 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 -2.41 1.84 -0.11 2.03 5.36 -1.26 -2.93 117.98 120.49 2k4z s PHE 2 Ca 0.47 0.64 -0.14 0.00 -0.96 0.00 0.00 56.93 56.94 2k4z s PHE 2 Cb 0.35 -4.14 -0.05 0.00 -0.34 0.00 0.00 43.02 38.85 2k4z s PHE 2 CO 0.15 -2.83 0.34 0.21 -1.46 0.00 0.00 175.22 171.63 2k4z s LYS 3 N 5.72 4.14 -0.18 10.12 2.20 -0.90 -4.98 119.74 135.85 2k4z s LYS 3 Ca 0.78 0.22 -0.00 0.00 -0.36 0.00 0.00 55.97 56.60 2k4z s LYS 3 Cb -0.21 -3.36 0.04 0.00 -1.51 0.00 0.00 37.83 32.79 2k4z s LYS 3 CO 0.33 0.36 -0.07 -1.17 -0.36 0.00 0.00 175.35 174.45 2k4z s LEU 4 N 0.04 1.85 0.28 5.43 0.20 -1.26 -0.08 118.68 125.13 2k4z s LEU 4 Ca 0.20 -0.76 -0.29 0.00 0.69 0.00 0.00 54.13 53.97 2k4z s LEU 4 Cb -0.14 -1.01 -0.10 0.00 -0.43 0.00 0.00 46.19 44.51 2k4z s LEU 4 CO 0.07 -0.18 1.39 -0.89 -0.29 0.00 0.00 176.35 176.45 2k4z s THR 5 N 1.56 2.67 0.56 3.68 2.01 -0.73 -4.72 115.64 120.66 2k4z s THR 5 Ca -0.00 0.60 0.31 0.00 0.31 0.00 0.00 61.69 62.91 2k4z s THR 5 Cb -0.16 -3.39 0.46 0.00 0.01 0.00 0.00 72.50 69.42 2k4z s THR 5 CO -0.08 0.12 1.87 1.55 -0.69 0.00 0.00 174.62 177.38 2k4z h PRO 6 N 4.34 0.00 -0.54 4.92 0.13 -1.99 0.26 132.00 139.12 2k4z h PRO 6 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 2k4z h PRO 6 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 2k4z h PRO 6 CO 0.72 0.00 0.18 0.00 -0.23 0.00 0.00 178.00 178.67 2k4z h ALA 7 N 1.48 1.30 0.02 -0.56 0.00 -1.96 -1.40 119.26 118.14 2k4z h ALA 7 Ca 0.37 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.90 2k4z h ALA 7 Cb 1.63 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 2k4z h ALA 7 CO -0.00 0.51 -1.00 0.00 0.00 0.00 0.00 179.25 178.75 2k4z h ALA 8 N 1.42 0.37 -0.73 0.00 0.00 -0.87 -3.23 119.26 116.22 2k4z h ALA 8 Ca 0.18 -0.85 -0.02 0.00 0.00 0.00 0.00 54.91 54.22 2k4z h ALA 8 Cb 0.22 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2k4z h ALA 8 CO -0.01 1.12 0.38 0.00 0.00 0.00 0.00 179.25 180.74 2k4z h ALA 9 N 0.95 0.93 0.00 0.00 0.00 -0.68 -0.99 119.26 119.46 2k4z h ALA 9 Ca -0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2k4z h ALA 9 Cb 1.72 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 2k4z h ALA 9 CO 0.14 0.47 -0.11 0.93 0.00 0.00 0.00 179.25 180.67 2k4z h GLU 10 N 1.01 0.00 -0.00 0.00 5.08 -1.35 0.13 114.58 119.45 2k4z h GLU 10 Ca 0.25 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.35 2k4z h GLU 10 Cb 0.07 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.34 2k4z h GLU 10 CO -0.04 0.11 -1.04 0.37 -1.00 0.00 0.00 179.01 177.42 2k4z h GLN 11 N 0.00 0.68 -0.51 2.33 5.75 -1.35 0.78 115.11 122.80 2k4z h GLN 11 Ca -0.00 -0.73 -0.05 0.00 -0.15 0.00 0.00 58.65 57.71 2k4z h GLN 11 Cb 0.58 0.21 -0.02 0.00 1.07 0.00 0.00 27.48 29.32 2k4z h GLN 11 CO 0.01 1.31 0.12 0.28 -2.65 0.00 0.00 178.83 177.91 2k4z h VAL 12 N 0.39 1.24 0.00 2.39 2.07 -0.69 -2.21 116.25 119.44 2k4z h VAL 12 Ca -0.13 -0.86 -0.06 0.00 0.82 0.00 0.00 66.70 66.47 2k4z h VAL 12 Cb 1.69 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 2k4z h VAL 12 CO 0.20 0.31 -0.30 0.25 0.02 0.00 0.00 177.57 178.06 2k4z h LEU 13 N 0.71 0.00 -0.71 2.57 5.85 -0.75 -2.26 115.31 120.73 2k4z h LEU 13 Ca 0.16 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 2k4z h LEU 13 Cb 0.34 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 2k4z h LEU 13 CO 0.00 0.30 0.29 0.50 -0.34 0.00 0.00 178.44 179.19 2k4z h LYS 14 N 0.00 1.05 -0.76 1.25 3.64 -0.32 0.35 116.57 121.78 2k4z h LYS 14 Ca -0.00 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.14 2k4z h LYS 14 Cb 0.59 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 2k4z h LYS 14 CO 0.04 0.86 0.29 0.00 -2.27 0.00 0.00 179.45 178.36 2k4z h ALA 15 N 1.14 0.99 -0.00 5.00 0.00 -0.84 -1.96 119.26 123.58 2k4z h ALA 15 Ca 0.24 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 2k4z h ALA 15 Cb 0.19 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2k4z h ALA 15 CO -0.02 0.63 -0.57 0.00 0.00 0.00 0.00 179.25 179.29 2k4z h ALA 16 N 1.15 1.06 0.00 0.00 0.00 -1.08 -2.72 119.26 117.67 2k4z h ALA 16 Ca 0.25 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 2k4z h ALA 16 Cb 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2k4z h ALA 16 CO -0.02 0.71 -0.17 -0.22 0.00 0.00 0.00 179.25 179.55 2k4z h LYS 17 N 0.00 0.00 0.00 0.00 3.64 0.40 -0.10 116.57 120.51 2k4z h LYS 17 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2k4z h LYS 17 Cb 1.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 2k4z h LYS 17 CO 0.07 0.17 0.00 1.96 -2.27 0.00 0.00 179.45 179.39 2k4z h GLN 18 N 0.00 0.00 0.00 1.90 4.20 -1.04 -3.49 115.11 116.68 2k4z h GLN 18 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2k4z h GLN 18 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2k4z h GLN 18 CO 0.02 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.59 2k4z n GLY 19 N -0.16 -0.48 0.85 3.46 0.00 -0.05 -4.97 105.19 103.85 2k4z n GLY 19 Ca 0.01 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.23 2.57 0.05 -0.02 0.00 -1.26 -4.69 105.19 101.60 2k4z n GLY 20 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.33 2.61 -2.24 -1.26 -4.76 114.28 106.30 2k4z n THR 21 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 2k4z n THR 21 Cb 0.00 -0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.12 2k4z n THR 21 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2k4z s GLU 22 N -1.91 3.29 0.00 -0.78 2.02 -1.26 -1.52 118.70 118.53 2k4z s GLU 22 Ca 0.00 0.61 0.00 0.00 0.02 0.00 0.00 54.97 55.60 2k4z s GLU 22 Cb 0.00 -4.14 0.00 0.00 0.10 0.00 0.00 34.13 30.09 2k4z s GLU 22 CO 0.00 -1.95 0.00 0.41 0.02 0.00 0.00 175.26 173.74 2k4z n GLY 23 N 5.28 1.41 3.76 -1.39 0.00 -1.26 -5.09 105.19 107.90 2k4z n GLY 23 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.11 4.10 0.34 1.61 -1.94 -0.58 -4.96 119.30 117.77 2k4z s MET 24 Ca 0.00 0.14 -0.05 0.00 -1.71 0.00 0.00 55.69 54.07 2k4z s MET 24 Cb 0.00 -3.36 -0.05 0.00 2.01 0.00 0.00 34.83 33.43 2k4z s MET 24 CO 0.00 0.38 0.61 0.00 -0.01 0.00 0.00 175.02 176.00 2k4z s LEU 26 N -3.84 3.28 -0.24 0.00 2.96 -1.13 -1.10 118.68 118.62 2k4z s LEU 26 Ca 0.45 0.13 -0.09 0.00 -0.22 0.00 0.00 54.13 54.40 2k4z s LEU 26 Cb -0.10 -2.68 -0.04 0.00 0.50 0.00 0.00 46.19 43.86 2k4z s LEU 26 CO 0.33 -2.06 0.11 -0.60 -1.32 0.00 0.00 176.35 172.81 2k4z s ARG 27 N 6.29 3.84 0.09 1.98 3.52 0.12 -0.80 118.95 133.99 2k4z s ARG 27 Ca 0.55 -0.39 0.01 0.00 -0.13 0.00 0.00 55.73 55.78 2k4z s ARG 27 Cb -0.11 -3.41 -0.04 0.00 -1.56 0.00 0.00 34.95 29.83 2k4z s ARG 27 CO 0.20 -0.06 0.21 -0.51 -0.81 0.00 0.00 175.30 174.33 2k4z s LEU 28 N 1.34 4.28 -0.01 -0.88 1.43 -1.15 -1.81 118.68 121.87 2k4z s LEU 28 Ca 0.06 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 2k4z s LEU 28 Cb -0.15 -2.88 0.02 0.00 0.03 0.00 0.00 46.19 43.22 2k4z s LEU 28 CO 0.05 0.13 0.01 0.00 0.23 0.00 0.00 176.35 176.78 2k4z s ALA 29 N -1.57 0.10 -0.15 4.21 0.00 -0.07 -4.70 121.76 119.57 2k4z s ALA 29 Ca 0.34 0.17 -0.00 0.00 0.00 0.00 0.00 51.96 52.47 2k4z s ALA 29 Cb -0.12 -0.17 0.03 0.00 0.00 0.00 0.00 23.12 22.86 2k4z s ALA 29 CO 0.27 -0.06 -0.09 0.00 0.00 0.00 0.00 175.76 175.88 2k4z s ALA 30 N 0.68 1.60 -0.05 0.00 0.00 -1.26 -0.30 121.76 122.43 2k4z s ALA 30 Ca -0.06 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.10 2k4z s ALA 30 Cb -0.09 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.95 2k4z s ALA 30 CO -0.02 -0.56 -0.02 0.20 0.00 0.00 0.00 175.76 175.36 2k4z s GLY 31 N 1.59 1.81 -0.16 0.00 0.00 -0.24 -4.91 107.32 105.41 2k4z s GLY 31 Ca 0.03 -0.89 -0.22 0.00 0.00 0.00 0.00 44.72 43.64 2k4z s GLY 31 CO -0.09 -0.69 0.66 -1.60 0.00 0.00 0.00 173.10 171.38 2k4z s ARG 32 N -1.09 4.29 0.62 2.90 3.52 -1.26 0.22 118.95 128.15 2k4z s ARG 32 Ca 0.15 0.72 -0.07 0.00 -0.13 0.00 0.00 55.73 56.40 2k4z s ARG 32 Cb -0.11 -3.54 0.01 0.00 -1.56 0.00 0.00 34.95 29.75 2k4z s ARG 32 CO 0.05 -0.15 0.95 -0.80 -0.81 0.00 0.00 175.30 174.54 2k4z s ASN 33 N 1.05 5.52 0.09 -2.12 0.01 0.19 -4.95 114.94 114.73 2k4z s ASN 33 Ca 0.32 0.80 -0.36 0.00 -0.71 0.00 0.00 52.86 52.91 2k4z s ASN 33 Cb -0.16 -1.73 -0.17 0.00 0.41 0.00 0.00 41.25 39.60 2k4z s ASN 33 CO 0.12 -1.16 1.24 -2.65 -1.51 0.00 0.00 177.10 173.15 2k4z n PRO 34 N -2.70 0.94 0.00 -0.60 -0.02 -1.26 -1.87 135.00 129.48 2k4z n PRO 34 Ca 0.05 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 2k4z n PRO 34 Cb 0.58 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 2k4z n PRO 34 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2k4z n ASP 35 N 2.23 0.00 0.00 2.55 2.03 -1.26 -4.19 116.55 117.92 2k4z n ASP 35 Ca 0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.49 2k4z n ASP 35 Cb 0.19 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 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 -1.25 1.08 3.67 0.27 0.00 -0.78 -5.13 105.19 103.05 2k4z n GLY 36 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 2.27 -4.78 1.61 3.41 -1.25 -4.57 113.62 110.31 2k4z n SER 37 Ca 0.00 1.16 -0.36 0.00 -0.26 0.00 0.00 58.87 59.41 2k4z n SER 37 Cb 0.00 -1.44 -0.07 0.00 -0.26 0.00 0.00 64.21 62.44 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 -1.13 5.38 -0.26 -1.33 1.01 -1.26 0.52 121.20 124.12 2k4z s ILE 38 Ca 0.58 0.35 -0.09 0.00 0.00 0.00 0.00 60.65 61.48 2k4z s ILE 38 Cb -0.58 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 2k4z s ILE 38 CO 0.60 0.49 0.13 -0.62 0.00 0.00 0.00 174.94 175.55 2k4z s ASP 39 N -0.12 5.62 -0.23 3.58 2.15 0.13 -4.92 116.67 122.89 2k4z s ASP 39 Ca 0.14 -0.09 -0.12 0.00 0.43 0.00 0.00 52.55 52.91 2k4z s ASP 39 Cb -0.12 -2.03 -0.05 0.00 -0.30 0.00 0.00 42.92 40.42 2k4z s ASP 39 CO 0.03 -0.03 0.20 -0.31 -0.17 0.00 0.00 175.17 174.88 2k4z s TYR 40 N 1.64 3.33 -0.01 -5.34 1.51 -1.26 -1.08 117.35 116.14 2k4z s TYR 40 Ca 0.07 0.31 0.05 0.00 -1.01 0.00 0.00 57.07 56.49 2k4z s TYR 40 Cb -0.15 -2.31 -0.01 0.00 -0.11 0.00 0.00 41.96 39.37 2k4z s TYR 40 CO 0.07 0.07 -0.17 1.03 -1.11 0.00 0.00 175.55 175.43 2k4z s ARG 41 N 1.06 1.42 0.06 -0.62 0.52 0.59 -5.02 118.95 116.96 2k4z s ARG 41 Ca 0.10 -0.62 0.09 0.00 -0.52 0.00 0.00 55.73 54.77 2k4z s ARG 41 Cb -0.14 -1.37 -0.03 0.00 0.52 0.00 0.00 34.95 33.93 2k4z s ARG 41 CO 0.05 0.37 -0.24 -1.64 0.02 0.00 0.00 175.30 173.87 2k4z s MET 42 N -0.40 1.50 0.24 3.54 -1.94 -1.26 -0.90 119.30 120.09 2k4z s MET 42 Ca 0.06 -1.08 -0.20 0.00 -1.71 0.00 0.00 55.69 52.76 2k4z s MET 42 Cb -0.07 -1.71 0.07 0.00 2.01 0.00 0.00 34.83 35.13 2k4z s MET 42 CO -0.01 0.43 0.95 0.20 -0.01 0.00 0.00 175.02 176.59 2k4z s GLY 43 N -1.39 0.17 -0.11 -0.03 0.00 -0.75 -4.99 107.32 100.21 2k4z s GLY 43 Ca 0.10 -0.43 -0.01 0.00 0.00 0.00 0.00 44.72 44.38 2k4z s GLY 43 CO 0.03 1.42 -0.07 -1.36 0.00 0.00 0.00 173.10 173.12 2k4z s PHE 44 N -2.31 2.94 0.27 1.90 0.08 -1.26 0.12 117.98 119.72 2k4z s PHE 44 Ca 0.19 -0.20 -0.07 0.00 0.12 0.00 0.00 56.93 56.98 2k4z s PHE 44 Cb -0.03 -1.81 0.03 0.00 -0.57 0.00 0.00 43.02 40.63 2k4z s PHE 44 CO 0.07 0.12 0.47 -3.47 -0.10 0.00 0.00 175.22 172.31 2k4z n ASP 45 N 2.87 -1.36 -4.44 1.36 2.03 -0.26 -4.87 116.55 111.89 2k4z n ASP 45 Ca -0.18 -2.22 -0.26 0.00 0.52 0.00 0.00 54.79 52.65 2k4z n ASP 45 Cb 0.53 2.34 0.14 0.00 -0.72 0.00 0.00 41.12 43.41 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 -2.50 3.79 -0.07 1.67 2.15 -1.26 -0.86 116.67 119.59 2k4z s ASP 46 Ca 0.15 -0.21 0.01 0.00 0.43 0.00 0.00 52.55 52.93 2k4z s ASP 46 Cb -0.02 0.01 -0.03 0.00 -0.30 0.00 0.00 42.92 42.57 2k4z s ASP 46 CO 0.11 -2.25 -0.07 -0.76 -0.17 0.00 0.00 175.17 172.03 2k4z s LEU 47 N -5.44 3.17 0.06 -1.34 1.43 -1.26 -4.84 118.68 110.46 2k4z s LEU 47 Ca 0.70 -0.03 0.08 0.00 -1.03 0.00 0.00 54.13 53.85 2k4z s LEU 47 Cb -0.04 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 2k4z s LEU 47 CO 0.48 0.35 -0.20 0.42 0.23 0.00 0.00 176.35 177.63 2k4z s THR 48 N -0.71 2.68 -2.00 5.49 -4.23 -1.26 -5.01 115.64 110.60 2k4z s THR 48 Ca 0.11 -1.30 0.00 0.00 -1.18 0.00 0.00 61.69 59.32 2k4z s THR 48 Cb -0.11 -2.14 0.01 0.00 1.34 0.00 0.00 72.50 71.59 2k4z s THR 48 CO 0.02 0.29 0.86 1.21 -0.54 0.00 0.00 174.62 176.45 2k4z n GLU 49 N 1.42 0.85 0.00 3.99 2.13 -1.26 -1.74 120.64 126.03 2k4z n GLU 49 Ca -0.16 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.75 2k4z n GLU 49 Cb 0.52 -1.00 0.04 0.00 0.27 0.00 0.00 31.44 31.27 2k4z n GLU 49 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2k4z n ASP 50 N -0.50 2.18 -4.87 4.31 2.03 -1.26 -4.98 116.55 113.45 2k4z n ASP 50 Ca 0.00 -1.59 -0.30 0.00 0.52 0.00 0.00 54.79 53.42 2k4z n ASP 50 Cb 0.00 0.19 -0.01 0.00 -0.72 0.00 0.00 41.12 40.57 2k4z n ASP 50 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2k4z s ASP 51 N -1.69 6.42 -0.32 1.67 1.01 -0.71 -4.54 116.67 118.50 2k4z s ASP 51 Ca 0.18 1.27 -0.14 0.00 0.71 0.00 0.00 52.55 54.58 2k4z s ASP 51 Cb 0.14 -2.39 -0.02 0.00 1.01 0.00 0.00 42.92 41.66 2k4z s ASP 51 CO 0.31 -0.61 0.30 -0.63 0.21 0.00 0.00 175.17 174.75 2k4z s ILE 52 N -2.72 5.23 -0.02 0.77 1.01 -0.48 -4.93 121.20 120.05 2k4z s ILE 52 Ca 0.53 0.08 -0.19 0.00 0.00 0.00 0.00 60.65 61.07 2k4z s ILE 52 Cb -0.10 -3.72 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 2k4z s ILE 52 CO 0.40 0.03 0.53 -0.13 0.00 0.00 0.00 174.94 175.78 2k4z s ARG 53 N 1.89 4.24 -0.06 2.79 0.52 -1.26 -0.90 118.95 126.17 2k4z s ARG 53 Ca 0.10 0.61 -0.00 0.00 -0.52 0.00 0.00 55.73 55.92 2k4z s ARG 53 Cb -0.17 -3.33 0.02 0.00 0.52 0.00 0.00 34.95 32.00 2k4z s ARG 53 CO 0.11 0.41 -0.03 -1.17 0.02 0.00 0.00 175.30 174.64 2k4z s LEU 54 N -0.26 0.96 -0.24 2.53 2.96 0.21 -4.58 118.68 120.27 2k4z s LEU 54 Ca 0.28 -0.13 -0.05 0.00 -0.22 0.00 0.00 54.13 54.01 2k4z s LEU 54 Cb -0.17 -0.49 -0.01 0.00 0.50 0.00 0.00 46.19 46.02 2k4z s LEU 54 CO 0.15 -0.13 0.01 -0.89 -1.32 0.00 0.00 176.35 174.17 2k4z s THR 55 N 1.51 3.73 0.00 3.68 2.01 -1.26 0.56 115.64 125.87 2k4z s THR 55 Ca -0.02 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.53 2k4z s THR 55 Cb -0.13 -2.76 0.00 0.00 0.01 0.00 0.00 72.50 69.62 2k4z s THR 55 CO -0.03 0.33 0.00 -1.54 -0.69 0.00 0.00 174.62 172.68 2k4z n SER 56 N 4.84 0.00 -1.81 3.53 3.41 -1.18 -4.80 113.62 117.61 2k4z n SER 56 Ca -0.17 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.42 2k4z n SER 56 Cb 0.50 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.76 2k4z n SER 56 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2k4z n GLU 57 N -0.82 3.71 0.00 4.33 -0.58 -1.26 -4.84 120.64 121.18 2k4z n GLU 57 Ca 0.00 -3.09 0.00 0.00 -0.42 0.00 0.00 57.16 53.65 2k4z n GLU 57 Cb 0.00 -2.16 0.00 0.00 -0.57 0.00 0.00 31.44 28.71 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 -0.14 1.29 3.72 0.62 0.00 -1.26 -5.07 105.19 104.35 2k4z n GLY 58 Ca 0.36 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.48 4.04 -0.21 1.61 1.01 -1.26 -5.00 120.40 119.11 2k4z s VAL 59 Ca 0.00 1.51 -0.21 0.00 0.00 0.00 0.00 61.98 63.27 2k4z s VAL 59 Cb 0.00 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 2k4z s VAL 59 CO 0.00 0.14 0.66 -0.70 0.00 0.00 0.00 175.10 175.20 2k4z s GLU 60 N 0.81 4.20 -0.08 2.72 2.12 -1.26 -3.10 118.70 124.10 2k4z s GLU 60 Ca 0.57 0.65 -0.01 0.00 0.36 0.00 0.00 54.97 56.54 2k4z s GLU 60 Cb -0.29 -3.59 -0.03 0.00 0.26 0.00 0.00 34.13 30.47 2k4z s GLU 60 CO 0.30 -0.29 -0.02 0.42 -0.54 0.00 0.00 175.26 175.13 2k4z s ILE 61 N 2.09 4.12 -0.11 -3.70 1.01 0.19 -2.83 121.20 121.97 2k4z s ILE 61 Ca 0.29 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.63 2k4z s ILE 61 Cb -0.16 -2.72 0.02 0.00 0.01 0.00 0.00 42.46 39.61 2k4z s ILE 61 CO 0.10 0.60 -0.13 0.68 0.00 0.00 0.00 174.94 176.19 2k4z s VAL 62 N -0.82 1.36 -0.19 2.92 -7.23 0.02 0.68 120.40 117.14 2k4z s VAL 62 Ca 0.12 -0.54 0.01 0.00 -1.81 0.00 0.00 61.98 59.77 2k4z s VAL 62 Cb -0.11 -1.28 0.04 0.00 0.56 0.00 0.00 36.38 35.58 2k4z s VAL 62 CO 0.02 0.42 -0.13 -0.63 -0.31 0.00 0.00 175.10 174.47 2k4z s ILE 63 N 1.23 1.78 0.34 -0.62 1.01 -0.08 -2.96 121.20 121.90 2k4z s ILE 63 Ca -0.02 -1.00 -0.29 0.00 0.00 0.00 0.00 60.65 59.34 2k4z s ILE 63 Cb -0.14 -1.77 -0.11 0.00 0.01 0.00 0.00 42.46 40.45 2k4z s ILE 63 CO -0.05 0.27 1.43 0.00 0.00 0.00 0.00 174.94 176.59 2k4z s ALA 64 N 1.35 3.57 0.59 9.38 0.00 -1.26 -1.39 121.76 134.00 2k4z s ALA 64 Ca 0.00 1.43 0.29 0.00 0.00 0.00 0.00 51.96 53.69 2k4z s ALA 64 Cb -0.15 -3.56 1.41 0.00 0.00 0.00 0.00 23.12 20.81 2k4z s ALA 64 CO -0.09 -0.86 1.80 -1.35 0.00 0.00 0.00 175.76 175.25 2k4z h PRO 65 N 3.54 0.00 -0.38 0.00 0.11 -1.95 0.26 132.00 133.58 2k4z h PRO 65 Ca -0.49 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 2k4z h PRO 65 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 2k4z h PRO 65 CO 0.68 0.00 -0.09 0.22 -0.21 0.00 0.00 178.00 178.59 2k4z h ASP 66 N 0.00 0.64 0.97 -2.05 3.58 -1.96 -3.02 116.42 114.57 2k4z h ASP 66 Ca 0.30 -0.17 -0.05 0.00 0.42 0.00 0.00 57.03 57.53 2k4z h ASP 66 Cb 1.57 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 42.44 2k4z h ASP 66 CO -0.00 0.77 -1.06 1.88 -2.88 0.00 0.00 179.24 177.95 2k4z h TYR 67 N 0.60 0.00 -0.85 0.28 0.05 -0.85 -3.37 116.97 112.82 2k4z h TYR 67 Ca 0.11 0.00 0.21 0.00 0.05 0.00 0.00 58.73 59.10 2k4z h TYR 67 Cb 0.52 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.21 2k4z h TYR 67 CO 0.02 0.17 0.58 0.28 -1.05 0.00 0.00 178.16 178.16 2k4z h VAL 68 N 0.00 0.67 0.00 -2.88 2.07 -1.27 -0.32 116.25 114.51 2k4z h VAL 68 Ca -0.05 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 2k4z h VAL 68 Cb 1.17 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2k4z h VAL 68 CO 0.01 0.05 -0.00 0.77 0.02 0.00 0.00 177.57 178.42 2k4z h SER 69 N 0.28 0.00 0.00 0.57 4.64 -1.73 -1.89 113.55 115.41 2k4z h SER 69 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 2k4z h SER 69 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2k4z h SER 69 CO -0.12 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.02 2k4z n LEU 70 N -3.10 1.68 -1.13 5.97 4.77 -0.17 -4.72 117.00 120.31 2k4z n LEU 70 Ca -0.02 -1.68 0.04 0.00 -0.03 0.00 0.00 56.01 54.32 2k4z n LEU 70 Cb 0.12 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.32 2k4z n LEU 70 CO 0.22 0.42 0.20 0.18 -1.33 0.00 0.00 177.39 177.08 2k4z n LEU 71 N -0.41 1.92 -4.32 2.23 4.77 -0.72 -4.92 117.00 115.55 2k4z n LEU 71 Ca 0.00 -2.99 -0.30 0.00 -0.03 0.00 0.00 56.01 52.69 2k4z n LEU 71 Cb 0.27 -0.24 -0.15 0.00 -2.33 0.00 0.00 43.42 40.97 2k4z n LEU 71 CO 0.00 0.98 -0.56 -0.62 -1.33 0.00 0.00 177.39 175.86 2k4z s ASP 72 N -2.67 3.03 -0.04 -1.43 2.15 -1.17 -4.51 116.67 112.03 2k4z s ASP 72 Ca 0.36 -0.55 0.00 0.00 0.43 0.00 0.00 52.55 52.79 2k4z s ASP 72 Cb 0.38 -0.29 0.00 0.00 -0.30 0.00 0.00 42.92 42.71 2k4z s ASP 72 CO -0.11 0.26 0.00 0.00 -0.17 0.00 0.00 175.17 175.14 2k4z n GLN 73 N 1.93 -1.07 -2.83 4.34 6.02 -1.15 -4.88 117.38 119.73 2k4z n GLN 73 Ca -0.17 0.29 -0.42 0.00 -0.01 0.00 0.00 57.00 56.69 2k4z n GLN 73 Cb 0.52 -4.11 -0.04 0.00 1.02 0.00 0.00 30.24 27.63 2k4z n GLN 73 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2k4z s THR 74 N -1.49 4.69 -0.63 5.09 -4.23 -1.26 -4.55 115.64 113.27 2k4z s THR 74 Ca 0.00 1.38 -0.27 0.00 -1.18 0.00 0.00 61.69 61.63 2k4z s THR 74 Cb 0.00 -4.24 0.03 0.00 1.34 0.00 0.00 72.50 69.63 2k4z s THR 74 CO 0.00 -0.33 1.16 -0.89 -0.54 0.00 0.00 174.62 174.02 2k4z s THR 75 N 3.20 4.01 -0.28 3.99 2.01 -0.51 -2.12 115.64 125.93 2k4z s THR 75 Ca 0.37 0.57 -0.23 0.00 0.31 0.00 0.00 61.69 62.71 2k4z s THR 75 Cb -0.13 -4.75 -0.00 0.00 0.01 0.00 0.00 72.50 67.62 2k4z s THR 75 CO 0.13 -1.46 0.77 -0.22 -0.69 0.00 0.00 174.62 173.15 2k4z s LEU 76 N 4.96 4.08 0.39 4.42 2.96 0.88 0.02 118.68 136.40 2k4z s LEU 76 Ca 0.37 0.74 0.08 0.00 -0.22 0.00 0.00 54.13 55.10 2k4z s LEU 76 Cb -0.09 -3.06 -0.07 0.00 0.50 0.00 0.00 46.19 43.48 2k4z s LEU 76 CO 0.20 -0.55 0.06 -1.81 -1.32 0.00 0.00 176.35 172.93 2k4z s ASP 77 N 1.54 4.10 -0.30 3.68 1.01 -0.25 -1.77 116.67 124.68 2k4z s ASP 77 Ca 0.32 -1.20 0.03 0.00 0.71 0.00 0.00 52.55 52.41 2k4z s ASP 77 Cb -0.15 -0.44 0.08 0.00 1.01 0.00 0.00 42.92 43.42 2k4z s ASP 77 CO 0.11 -0.43 -0.03 -0.47 0.21 0.00 0.00 175.17 174.56 2k4z s TYR 78 N -2.63 3.46 0.27 4.23 5.04 -1.26 -2.51 117.35 123.95 2k4z s TYR 78 Ca 0.37 -2.63 0.03 0.00 -2.44 0.00 0.00 57.07 52.40 2k4z s TYR 78 Cb 0.06 -2.40 -0.04 0.00 0.35 0.00 0.00 41.96 39.93 2k4z s TYR 78 CO 0.20 -0.91 0.19 0.14 -1.34 0.00 0.00 175.55 173.83 2k4z s VAL 79 N 1.02 0.07 -0.40 3.14 -7.23 -1.24 -4.91 120.40 110.84 2k4z s VAL 79 Ca 0.01 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.05 2k4z s VAL 79 Cb -0.19 -2.50 0.03 0.00 0.56 0.00 0.00 36.38 34.28 2k4z s VAL 79 CO -0.07 0.00 0.26 -0.70 -0.31 0.00 0.00 175.10 174.29 2k4z s GLU 80 N -3.81 2.88 0.14 4.82 2.12 -1.26 -0.90 118.70 122.69 2k4z s GLU 80 Ca 0.39 -1.11 0.22 0.00 0.36 0.00 0.00 54.97 54.83 2k4z s GLU 80 Cb 0.05 -3.87 -0.08 0.00 0.26 0.00 0.00 34.13 30.48 2k4z s GLU 80 CO 0.19 -0.77 0.90 1.28 -0.54 0.00 0.00 175.26 176.33 2k4z n LEU 81 N 5.08 0.69 -3.99 2.70 7.99 -1.24 -4.90 117.00 123.32 2k4z n LEU 81 Ca -0.11 0.27 -0.18 0.00 -0.01 0.00 0.00 56.01 55.98 2k4z n LEU 81 Cb 0.46 -0.03 -0.15 0.00 -0.11 0.00 0.00 43.42 43.60 2k4z n LEU 81 CO 0.39 -0.11 -0.42 -1.61 -1.51 0.00 0.00 177.39 174.14 2k4z s GLU 82 N -3.33 0.63 -0.31 3.23 2.02 -1.08 -5.04 118.70 114.82 2k4z s GLU 82 Ca -0.02 -0.26 -0.33 0.00 0.02 0.00 0.00 54.97 54.37 2k4z s GLU 82 Cb 0.10 -0.61 -0.10 0.00 0.10 0.00 0.00 34.13 33.62 2k4z s GLU 82 CO 0.81 0.15 2.20 -2.30 0.02 0.00 0.00 175.26 176.14 2k4z n PRO 83 N 2.98 1.32 -0.87 0.39 -0.02 -1.26 -0.20 135.00 137.34 2k4z n PRO 83 Ca -0.14 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 2k4z n PRO 83 Cb 0.57 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 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 6.32 0.56 2.65 -1.23 0.00 -1.26 -5.00 105.19 107.23 2k4z n GLY 84 Ca 0.38 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.23 0.15 0.27 1.61 0.74 0.71 -5.13 119.66 117.78 2k4z s GLN 85 Ca 0.00 -0.11 -0.29 0.00 0.05 0.00 0.00 55.36 55.01 2k4z s GLN 85 Cb 0.00 -1.38 -0.09 0.00 1.10 0.00 0.00 33.01 32.63 2k4z s GLN 85 CO 0.00 -0.78 1.12 -0.06 -0.55 0.00 0.00 175.29 175.01 2k4z s PHE 86 N 2.21 3.55 -0.03 1.67 0.08 -1.26 -2.65 117.98 121.55 2k4z s PHE 86 Ca 0.06 1.66 0.04 0.00 0.12 0.00 0.00 56.93 58.80 2k4z s PHE 86 Cb -0.16 -3.31 -0.00 0.00 -0.57 0.00 0.00 43.02 38.98 2k4z s PHE 86 CO -0.19 -0.66 -0.13 -1.58 -0.10 0.00 0.00 175.22 172.56 2k4z s HIS 87 N -1.00 1.33 0.00 0.36 5.65 -0.07 -4.87 115.29 116.69 2k4z s HIS 87 Ca 0.46 -0.35 -0.30 0.00 0.25 0.00 0.00 55.06 55.12 2k4z s HIS 87 Cb -0.32 -0.91 -0.04 0.00 -1.18 0.00 0.00 32.58 30.13 2k4z s HIS 87 CO 0.41 -0.12 1.16 -0.06 -0.65 0.00 0.00 174.74 175.49 2k4z s PHE 88 N 0.04 3.37 -0.15 3.88 0.08 -1.26 -3.66 117.98 120.28 2k4z s PHE 88 Ca -0.02 1.33 -0.03 0.00 0.12 0.00 0.00 56.93 58.33 2k4z s PHE 88 Cb -0.09 -3.37 -0.02 0.00 -0.57 0.00 0.00 43.02 38.96 2k4z s PHE 88 CO 0.01 -1.09 -0.05 0.96 -0.10 0.00 0.00 175.22 174.94 2k4z s ILE 89 N 1.52 3.74 -0.48 0.64 -4.36 -1.04 -4.99 121.20 116.23 2k4z s ILE 89 Ca 0.56 -0.41 -0.10 0.00 -0.26 0.00 0.00 60.65 60.44 2k4z s ILE 89 Cb -0.26 -2.63 0.12 0.00 1.25 0.00 0.00 42.46 40.94 2k4z s ILE 89 CO 0.26 0.50 0.36 -0.36 0.24 0.00 0.00 174.94 175.94 2k4z s PHE 90 N 0.36 3.39 -1.02 1.37 0.40 -1.26 -1.09 117.98 120.12 2k4z s PHE 90 Ca -0.05 -1.72 -0.23 0.00 -0.60 0.00 0.00 56.93 54.32 2k4z s PHE 90 Cb -0.14 -3.48 0.05 0.00 0.51 0.00 0.00 43.02 39.95 2k4z s PHE 90 CO 0.03 -0.98 1.44 -0.51 0.70 0.00 0.00 175.22 175.91 2k4z s LEU 91 N 1.41 3.52 -0.28 -0.37 1.43 0.10 -4.36 118.68 120.13 2k4z s LEU 91 Ca 0.05 -1.45 -0.14 0.00 -1.03 0.00 0.00 54.13 51.56 2k4z s LEU 91 Cb -0.26 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.35 2k4z s LEU 91 CO 0.00 -1.51 0.35 0.21 0.23 0.00 0.00 176.35 175.64 2k4z s ASN 92 N 4.95 6.22 0.60 2.29 3.84 -1.26 -1.43 114.94 130.15 2k4z s ASN 92 Ca 0.46 0.18 0.40 0.00 0.21 0.00 0.00 52.86 54.11 2k4z s ASN 92 Cb -0.00 -2.20 2.10 0.00 -0.55 0.00 0.00 41.25 40.60 2k4z s ASN 92 CO -0.10 -0.19 2.22 -0.65 -2.79 0.00 0.00 177.10 175.59 2k4z h PRO 93 N 8.24 0.00 0.05 0.43 0.11 -1.93 -1.06 132.00 137.84 2k4z h PRO 93 Ca -0.32 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.43 2k4z h PRO 93 Cb 1.16 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 2k4z h PRO 93 CO 0.64 0.00 -2.20 -2.13 -0.21 0.00 0.00 178.00 174.10 2k4z n ARG 94 N -2.96 0.70 -3.48 1.05 0.63 -1.26 -4.73 116.66 106.61 2k4z n ARG 94 Ca -0.02 0.19 -0.28 0.00 -0.92 0.00 0.00 57.85 56.82 2k4z n ARG 94 Cb 0.10 -1.62 -0.11 0.00 0.45 0.00 0.00 32.46 31.28 2k4z n ARG 94 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2k4z s ASP 95 N -6.55 2.24 0.20 6.15 2.15 -0.99 -5.13 116.67 114.74 2k4z s ASP 95 Ca -0.24 -2.93 -0.22 0.00 0.43 0.00 0.00 52.55 49.59 2k4z s ASP 95 Cb 0.08 -0.59 -0.08 0.00 -0.30 0.00 0.00 42.92 42.03 2k4z s ASP 95 CO 0.72 -0.20 0.75 -2.16 -0.17 0.00 0.00 175.17 174.11 2k4z s PRO 96 N 0.14 4.38 0.58 4.34 0.04 -0.44 -4.13 135.00 139.91 2k4z s PRO 96 Ca 0.28 0.99 0.34 0.00 0.04 0.00 0.00 61.00 62.65 2k4z s PRO 96 Cb -0.05 -3.01 1.76 0.00 0.04 0.00 0.00 34.50 33.24 2k4z s PRO 96 CO -0.14 0.46 2.16 1.15 0.04 0.00 0.00 177.00 180.67 2k4z h THR 97 N 2.96 0.30 -3.28 1.26 2.02 -1.86 -3.39 112.91 110.93 2k4z h THR 97 Ca -0.48 -0.32 -0.66 0.00 0.77 0.00 0.00 66.41 65.72 2k4z h THR 97 Cb 1.20 1.24 -0.30 0.00 -1.74 0.00 0.00 68.15 68.55 2k4z h THR 97 CO 0.65 0.05 -0.79 -0.31 0.37 0.00 0.00 175.52 175.49 2k4z s TYR 98 N -4.13 2.81 -0.09 3.16 1.51 -1.26 -5.10 117.35 114.25 2k4z s TYR 98 Ca -0.03 -1.04 -0.04 0.00 -1.01 0.00 0.00 57.07 54.96 2k4z s TYR 98 Cb 0.13 -1.91 0.05 0.00 -0.11 0.00 0.00 41.96 40.11 2k4z s TYR 98 CO 0.52 -0.48 0.18 -0.98 -1.11 0.00 0.00 175.55 173.68 2k4z s ARG 99 N 0.89 0.10 0.54 -0.62 3.03 -1.26 -5.14 118.95 116.49 2k4z s ARG 99 Ca -0.04 0.50 -0.19 0.00 2.03 0.00 0.00 55.73 58.03 2k4z s ARG 99 Cb -0.15 -0.18 -0.06 0.00 -1.03 0.00 0.00 34.95 33.53 2k4z s ARG 99 CO -0.01 -0.22 1.08 -1.25 -1.13 0.00 0.00 175.30 173.77 2k4z s PRO 100 N 1.65 3.47 1.02 3.89 0.04 -1.26 -5.05 135.00 138.76 2k4z s PRO 100 Ca -0.05 1.44 -0.12 0.00 0.04 0.00 0.00 61.00 62.31 2k4z s PRO 100 Cb -0.12 -2.04 0.20 0.00 0.04 0.00 0.00 34.50 32.59 2k4z s PRO 100 CO -0.07 -0.72 1.09 -2.14 0.04 0.00 0.00 177.00 175.20 2k4z s PRO 101 N -3.45 0.27 0.24 0.56 0.02 -1.26 -4.95 135.00 126.43 2k4z s PRO 101 Ca 0.69 0.56 -0.05 0.00 0.02 0.00 0.00 61.00 62.22 2k4z s PRO 101 Cb -0.19 -1.71 0.26 0.00 0.02 0.00 0.00 34.50 32.87 2k4z s PRO 101 CO 0.27 -2.85 1.84 0.66 -0.33 0.00 0.00 177.00 176.58 2k4z h SER 102 N -1.98 1.03 0.00 2.53 4.64 -2.09 -3.46 113.55 114.22 2k4z h SER 102 Ca -0.55 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 60.64 2k4z h SER 102 Cb 1.33 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 2k4z h SER 102 CO 0.57 0.88 0.00 0.61 -0.87 0.00 0.00 176.83 178.01 2k4z n GLY 103 N -1.02 0.54 0.00 -0.77 0.00 -1.26 -5.35 105.19 97.33 2k4z n GLY 103 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2k4z n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93