#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 1.32 0.00 3.03 0.00 -1.26 -4.99 105.19 103.29 2k4z n GLY -19 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 0.10 1.61 7.64 -1.26 -2.04 113.62 119.67 2k4z n SER -18 Ca 0.00 -0.22 0.13 0.00 1.01 0.00 0.00 58.87 59.78 2k4z n SER -18 Cb 0.00 -0.15 0.44 0.00 -1.01 0.00 0.00 64.21 63.49 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 -1.15 0.70 -0.66 6.43 3.41 -1.26 -3.46 113.62 117.63 2k4z n SER -17 Ca 0.10 0.59 0.03 0.00 -0.26 0.00 0.00 58.87 59.33 2k4z n SER -17 Cb 0.09 -0.77 0.12 0.00 -0.26 0.00 0.00 64.21 63.39 2k4z n SER -17 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2k4z n HIS -16 N -2.18 0.47 1.12 7.33 -0.00 -0.87 -2.77 115.22 118.33 2k4z n HIS -16 Ca 0.05 -0.19 0.12 0.00 -0.00 0.00 0.00 57.72 57.70 2k4z n HIS -16 Cb 0.37 -0.10 0.27 0.00 -0.00 0.00 0.00 29.99 30.53 2k4z n HIS -16 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k4z n HIS -15 N 0.21 0.00 -3.88 4.41 8.25 -1.22 -4.86 115.22 118.12 2k4z n HIS -15 Ca 0.08 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.43 2k4z n HIS -15 Cb 0.35 -0.15 -0.13 0.00 1.12 0.00 0.00 29.99 31.17 2k4z n HIS -15 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2k4z s HIS -14 N -2.72 0.01 -0.44 4.41 0.09 -1.11 -5.11 115.29 110.42 2k4z s HIS -14 Ca 0.18 -0.02 -0.28 0.00 -0.00 0.00 0.00 55.06 54.93 2k4z s HIS -14 Cb 0.18 -0.02 -0.00 0.00 -0.00 0.00 0.00 32.58 32.74 2k4z s HIS -14 CO 0.62 -0.04 1.57 -1.01 -0.00 0.00 0.00 174.74 175.87 2k4z s HIS -13 N -0.21 2.13 -0.52 1.40 4.02 -1.26 -4.95 115.29 115.90 2k4z s HIS -13 Ca -0.02 0.63 -0.17 0.00 1.02 0.00 0.00 55.06 56.52 2k4z s HIS -13 Cb -0.02 -4.26 0.09 0.00 -1.02 0.00 0.00 32.58 27.38 2k4z s HIS -13 CO -0.00 -2.28 0.51 -1.01 1.02 0.00 0.00 174.74 172.98 2k4z s HIS -12 N 6.36 3.18 0.29 1.40 0.09 -1.26 -5.06 115.29 120.29 2k4z s HIS -12 Ca 0.65 -0.98 -0.02 0.00 -0.00 0.00 0.00 55.06 54.70 2k4z s HIS -12 Cb -0.15 -3.55 -0.04 0.00 -0.00 0.00 0.00 32.58 28.84 2k4z s HIS -12 CO 0.30 -0.98 0.52 -1.01 -0.00 0.00 0.00 174.74 173.57 2k4z s HIS -11 N 1.94 3.49 -0.49 1.40 0.09 -1.26 -5.01 115.29 115.45 2k4z s HIS -11 Ca 0.07 0.49 -0.27 0.00 -0.00 0.00 0.00 55.06 55.35 2k4z s HIS -11 Cb -0.25 -1.99 -0.04 0.00 -0.00 0.00 0.00 32.58 30.30 2k4z s HIS -11 CO 0.06 0.20 2.05 -1.12 -0.00 0.00 0.00 174.74 175.94 2k4z s SER -10 N -3.41 5.13 -0.38 1.40 0.01 -1.26 -4.92 113.70 110.27 2k4z s SER -10 Ca 0.42 0.88 -0.26 0.00 1.31 0.00 0.00 55.95 58.30 2k4z s SER -10 Cb -0.10 -2.52 0.02 0.00 0.21 0.00 0.00 66.02 63.62 2k4z s SER -10 CO 0.32 -2.38 0.92 -0.44 0.41 0.00 0.00 173.24 172.06 2k4z s SER -9 N 9.05 6.64 0.00 2.44 0.01 -1.26 -4.15 113.70 126.42 2k4z s SER -9 Ca 0.82 0.48 0.00 0.00 1.31 0.00 0.00 55.95 58.56 2k4z s SER -9 Cb -0.17 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2k4z s SER -9 CO 0.26 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.64 2k4z n GLY -8 N 4.49 0.62 3.32 3.44 0.00 -1.26 -5.12 105.19 110.68 2k4z n GLY -8 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2k4z n GLY -8 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k4z s LEU -7 N 0.00 5.10 -0.39 0.99 1.43 -1.26 -5.05 118.68 119.50 2k4z s LEU -7 Ca 0.00 -1.34 -0.22 0.00 -1.03 0.00 0.00 54.13 51.54 2k4z s LEU -7 Cb 0.00 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.21 2k4z s LEU -7 CO 0.00 -0.51 0.72 -0.69 0.23 0.00 0.00 176.35 176.10 2k4z s VAL -6 N 1.49 4.77 0.00 -1.59 1.01 -1.26 -4.94 120.40 119.88 2k4z s VAL -6 Ca 0.03 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.62 2k4z s VAL -6 Cb -0.22 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 31.96 2k4z s VAL -6 CO 0.04 -0.48 0.94 -0.81 0.00 0.00 0.00 175.10 174.79 2k4z n PRO -5 N 6.36 0.83 0.14 2.72 -0.04 -1.26 -3.70 135.00 140.05 2k4z n PRO -5 Ca 0.01 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.55 2k4z n PRO -5 Cb 0.48 -1.09 0.05 0.00 -0.04 0.00 0.00 33.50 32.91 2k4z n PRO -5 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k4z h ARG -4 N 0.50 0.00 -2.90 0.54 2.47 -1.95 -3.39 114.38 109.65 2k4z h ARG -4 Ca 0.00 0.00 -0.69 0.00 -1.26 0.00 0.00 59.98 58.03 2k4z h ARG -4 Cb 0.83 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.14 2k4z h ARG -4 CO 0.00 0.14 3.49 0.41 0.56 0.00 0.00 179.97 184.57 2k4z n GLY -3 N 1.19 4.49 1.40 0.04 0.00 -1.24 -4.10 105.19 106.96 2k4z n GLY -3 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.39 2k4z n GLY -3 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k4z n SER -2 N 3.11 0.00 -4.49 1.61 2.88 -1.26 -5.05 113.62 110.42 2k4z n SER -2 Ca 0.75 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.87 2k4z n SER -2 Cb 0.24 0.04 -0.10 0.00 -0.75 0.00 0.00 64.21 63.64 2k4z n SER -2 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2k4z s HIS -1 N -0.70 3.23 -0.29 0.66 3.76 -1.26 -4.98 115.29 115.70 2k4z s HIS -1 Ca 0.00 -0.42 -0.21 0.00 -0.15 0.00 0.00 55.06 54.28 2k4z s HIS -1 Cb 0.00 -2.59 -0.01 0.00 1.11 0.00 0.00 32.58 31.09 2k4z s HIS -1 CO 0.00 -0.52 0.65 1.41 -0.85 0.00 0.00 174.74 175.43 2k4z s MET 0 N 1.76 3.96 -1.05 1.40 1.75 -1.26 -4.99 119.30 120.86 2k4z s MET 0 Ca 0.06 0.40 -0.22 0.00 -1.25 0.00 0.00 55.69 54.68 2k4z s MET 0 Cb -0.18 -3.71 0.05 0.00 2.84 0.00 0.00 34.83 33.83 2k4z s MET 0 CO 0.11 -0.55 1.53 -1.64 -0.65 0.00 0.00 175.02 173.82 2k4z s MET 1 N 2.63 3.57 -0.17 4.11 -1.94 -1.26 -4.91 119.30 121.34 2k4z s MET 1 Ca 0.26 -1.20 -0.02 0.00 -1.71 0.00 0.00 55.69 53.03 2k4z s MET 1 Cb -0.15 -5.37 0.05 0.00 2.01 0.00 0.00 34.83 31.37 2k4z s MET 1 CO 0.11 -2.31 -0.00 0.12 -0.01 0.00 0.00 175.02 172.93 2k4z s PHE 2 N 5.25 1.26 -0.10 -0.03 5.36 -1.26 0.07 117.98 128.54 2k4z s PHE 2 Ca 0.49 -0.87 -0.06 0.00 -0.96 0.00 0.00 56.93 55.53 2k4z s PHE 2 Cb 0.00 -1.11 -0.04 0.00 -0.34 0.00 0.00 43.02 41.53 2k4z s PHE 2 CO -0.07 -0.58 0.13 0.15 -1.46 0.00 0.00 175.22 173.40 2k4z s LYS 3 N 1.78 3.39 -0.01 10.12 1.02 -0.76 -4.96 119.74 130.31 2k4z s LYS 3 Ca 0.00 -0.19 0.00 0.00 0.02 0.00 0.00 55.97 55.80 2k4z s LYS 3 Cb -0.16 -3.13 0.02 0.00 -0.52 0.00 0.00 37.83 34.04 2k4z s LYS 3 CO -0.07 0.75 0.00 -1.17 -0.92 0.00 0.00 175.35 173.94 2k4z s LEU 4 N -1.17 1.52 0.29 3.17 0.20 -1.26 0.25 118.68 121.68 2k4z s LEU 4 Ca 0.17 -0.01 -0.27 0.00 0.69 0.00 0.00 54.13 54.71 2k4z s LEU 4 Cb -0.12 -0.11 -0.10 0.00 -0.43 0.00 0.00 46.19 45.44 2k4z s LEU 4 CO 0.06 -0.06 0.94 0.42 -0.29 0.00 0.00 176.35 177.42 2k4z s THR 5 N 0.56 4.17 0.47 3.68 -4.23 -0.62 -4.79 115.64 114.88 2k4z s THR 5 Ca -0.05 1.91 0.18 0.00 -1.18 0.00 0.00 61.69 62.55 2k4z s THR 5 Cb -0.08 -4.12 0.35 0.00 1.34 0.00 0.00 72.50 69.99 2k4z s THR 5 CO -0.01 0.27 1.99 -0.65 -0.54 0.00 0.00 174.62 175.68 2k4z h PRO 6 N 3.54 0.24 -0.19 3.99 0.11 -1.96 -0.14 132.00 137.58 2k4z h PRO 6 Ca -0.46 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 2k4z h PRO 6 Cb 1.19 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2k4z h PRO 6 CO 0.66 0.16 -0.04 0.00 -0.21 0.00 0.00 178.00 178.57 2k4z h ALA 7 N 1.73 0.26 -0.37 -0.75 0.00 -1.97 -2.22 119.26 115.95 2k4z h ALA 7 Ca 0.26 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2k4z h ALA 7 Cb 0.69 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2k4z h ALA 7 CO -0.05 0.03 -0.27 0.00 0.00 0.00 0.00 179.25 178.96 2k4z h ALA 8 N 0.74 0.84 -0.40 0.00 0.00 -1.68 -2.56 119.26 116.20 2k4z h ALA 8 Ca 0.05 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2k4z h ALA 8 Cb 0.48 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2k4z h ALA 8 CO 0.02 0.64 0.25 0.00 0.00 0.00 0.00 179.25 180.16 2k4z h ALA 9 N 1.05 1.70 -0.21 0.00 0.00 -1.01 -1.50 119.26 119.29 2k4z h ALA 9 Ca 0.08 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2k4z h ALA 9 Cb 0.78 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2k4z h ALA 9 CO 0.06 0.28 -0.28 0.93 0.00 0.00 0.00 179.25 180.24 2k4z h GLU 10 N 0.54 0.40 -0.19 0.00 4.39 -0.98 0.35 114.58 119.09 2k4z h GLU 10 Ca 0.15 -0.15 -0.21 0.00 0.34 0.00 0.00 59.36 59.48 2k4z h GLU 10 Cb -0.05 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.59 2k4z h GLU 10 CO -0.03 0.65 -0.70 0.37 -1.16 0.00 0.00 179.01 178.14 2k4z h GLN 11 N 0.35 0.80 -0.55 2.33 4.15 -1.17 0.18 115.11 121.20 2k4z h GLN 11 Ca 0.05 -0.60 -0.06 0.00 0.77 0.00 0.00 58.65 58.80 2k4z h GLN 11 Cb 0.68 0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.45 2k4z h GLN 11 CO 0.05 1.22 0.09 0.28 -1.93 0.00 0.00 178.83 178.54 2k4z h VAL 12 N 0.57 1.25 -0.63 2.39 2.07 -1.09 -2.29 116.25 118.52 2k4z h VAL 12 Ca -0.03 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.49 2k4z h VAL 12 Cb 1.32 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 2k4z h VAL 12 CO 0.15 0.35 0.22 0.25 0.02 0.00 0.00 177.57 178.56 2k4z h LEU 13 N 0.81 0.86 -1.54 2.57 5.85 -0.18 -2.06 115.31 121.62 2k4z h LEU 13 Ca 0.17 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 2k4z h LEU 13 Cb 0.41 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 2k4z h LEU 13 CO 0.01 0.79 0.25 0.50 -0.34 0.00 0.00 178.44 179.65 2k4z h LYS 14 N 0.91 0.56 0.00 1.25 3.64 -0.28 0.19 116.57 122.84 2k4z h LYS 14 Ca 0.21 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 2k4z h LYS 14 Cb 0.22 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2k4z h LYS 14 CO -0.01 0.39 -0.10 0.00 -2.27 0.00 0.00 179.45 177.46 2k4z h ALA 15 N 1.70 1.23 0.04 5.00 0.00 -0.81 -2.32 119.26 124.10 2k4z h ALA 15 Ca 0.15 -0.09 -0.32 0.00 0.00 0.00 0.00 54.91 54.65 2k4z h ALA 15 Cb -0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2k4z h ALA 15 CO -0.03 0.12 -1.87 0.00 0.00 0.00 0.00 179.25 177.48 2k4z n ALA 16 N -2.24 1.31 -0.20 0.00 0.00 0.01 -4.21 120.51 115.18 2k4z n ALA 16 Ca -0.02 -0.77 0.04 0.00 0.00 0.00 0.00 53.44 52.70 2k4z n ALA 16 Cb 0.23 -0.73 0.31 0.00 0.00 0.00 0.00 19.45 19.26 2k4z n ALA 16 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2k4z h LYS 17 N 0.02 0.84 0.00 0.00 1.57 -0.20 -0.65 116.57 118.15 2k4z h LYS 17 Ca -0.36 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2k4z h LYS 17 Cb 2.03 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 34.15 2k4z h LYS 17 CO 0.07 0.56 0.00 0.00 -0.57 0.00 0.00 179.45 179.51 2k4z n GLN 18 N -4.46 0.12 0.00 3.15 10.64 -0.96 -4.98 117.38 120.88 2k4z n GLN 18 Ca 0.10 0.32 0.00 0.00 -1.83 0.00 0.00 57.00 55.59 2k4z n GLN 18 Cb 0.15 -1.72 0.00 0.00 -0.86 0.00 0.00 30.24 27.82 2k4z n GLN 18 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2k4z n GLY 19 N 0.19 1.16 2.18 2.61 0.00 -0.25 -5.01 105.19 106.06 2k4z n GLY 19 Ca 0.03 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 0.57 2.13 1.97 -0.02 0.00 -1.26 -4.50 105.19 104.08 2k4z n GLY 20 Ca 0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 2.88 -0.13 2.61 -2.24 -1.26 -4.54 114.28 111.60 2k4z n THR 21 Ca 0.00 -1.54 -0.09 0.00 -2.27 0.00 0.00 64.05 60.15 2k4z n THR 21 Cb 0.00 -0.32 -0.01 0.00 -2.10 0.00 0.00 70.33 67.90 2k4z n THR 21 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2k4z h GLU 22 N 3.29 0.56 -1.03 -0.78 5.08 -1.79 -2.65 114.58 117.26 2k4z h GLU 22 Ca 0.15 -0.08 -0.40 0.00 -1.00 0.00 0.00 59.36 58.03 2k4z h GLU 22 Cb 2.20 -0.10 -0.23 0.00 0.50 0.00 0.00 28.75 31.12 2k4z h GLU 22 CO 0.64 0.49 0.51 0.41 -1.00 0.00 0.00 179.01 180.06 2k4z n GLY 23 N -0.89 4.00 3.10 -3.84 0.00 -1.26 -4.86 105.19 101.44 2k4z n GLY 23 Ca -0.00 -0.92 -0.25 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.53 1.64 0.32 1.61 -1.94 -1.00 -4.98 119.30 112.43 2k4z s MET 24 Ca 0.44 -0.54 -0.15 0.00 -1.71 0.00 0.00 55.69 53.73 2k4z s MET 24 Cb 0.36 -1.43 -0.09 0.00 2.01 0.00 0.00 34.83 35.68 2k4z s MET 24 CO 0.07 0.20 0.73 0.00 -0.01 0.00 0.00 175.02 176.02 2k4z s LEU 26 N -2.99 3.52 -0.21 0.00 2.96 -1.18 -0.07 118.68 120.71 2k4z s LEU 26 Ca 0.54 1.05 -0.09 0.00 -0.22 0.00 0.00 54.13 55.41 2k4z s LEU 26 Cb -0.10 -3.47 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 2k4z s LEU 26 CO 0.18 -1.63 0.11 -0.60 -1.32 0.00 0.00 176.35 173.09 2k4z s ARG 27 N 5.43 4.03 -0.19 1.98 3.52 0.54 -0.21 118.95 134.05 2k4z s ARG 27 Ca 0.71 -0.30 -0.10 0.00 -0.13 0.00 0.00 55.73 55.91 2k4z s ARG 27 Cb -0.18 -3.37 -0.05 0.00 -1.56 0.00 0.00 34.95 29.79 2k4z s ARG 27 CO 0.33 0.18 0.16 -0.51 -0.81 0.00 0.00 175.30 174.65 2k4z s LEU 28 N 0.66 4.23 0.10 -0.88 1.43 -1.04 -1.66 118.68 121.52 2k4z s LEU 28 Ca 0.06 0.30 0.10 0.00 -1.03 0.00 0.00 54.13 53.56 2k4z s LEU 28 Cb -0.13 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 2k4z s LEU 28 CO 0.01 0.18 -0.24 0.00 0.23 0.00 0.00 176.35 176.53 2k4z s ALA 29 N 0.27 2.43 0.05 4.21 0.00 0.44 -4.55 121.76 124.60 2k4z s ALA 29 Ca 0.10 -1.37 -0.03 0.00 0.00 0.00 0.00 51.96 50.66 2k4z s ALA 29 Cb -0.11 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.49 2k4z s ALA 29 CO -0.00 0.55 0.04 0.00 0.00 0.00 0.00 175.76 176.35 2k4z s ALA 30 N -1.00 0.17 0.00 0.00 0.00 -1.26 -0.65 121.76 119.02 2k4z s ALA 30 Ca 0.14 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.27 2k4z s ALA 30 Cb -0.10 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.30 2k4z s ALA 30 CO 0.06 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.88 2k4z n GLY 31 N 0.49 1.27 3.51 0.00 0.00 -0.05 -4.97 105.19 105.45 2k4z n GLY 31 Ca -0.17 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.68 2k4z n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k4z s ARG 32 N -1.19 3.31 -0.14 1.61 0.52 -1.26 -0.31 118.95 121.49 2k4z s ARG 32 Ca 0.00 -0.55 0.01 0.00 -0.52 0.00 0.00 55.73 54.67 2k4z s ARG 32 Cb 0.00 -2.76 0.02 0.00 0.52 0.00 0.00 34.95 32.73 2k4z s ARG 32 CO 0.00 0.38 -0.17 1.21 0.02 0.00 0.00 175.30 176.75 2k4z s ASN 33 N -0.05 2.76 0.48 0.23 3.84 0.40 -4.73 114.94 117.88 2k4z s ASN 33 Ca 0.00 -0.51 0.17 0.00 0.21 0.00 0.00 52.86 52.73 2k4z s ASN 33 Cb -0.13 -1.24 1.19 0.00 -0.55 0.00 0.00 41.25 40.51 2k4z s ASN 33 CO 0.03 -0.01 2.04 -0.65 -2.79 0.00 0.00 177.10 175.72 2k4z h PRO 34 N 7.76 0.19 0.02 0.43 0.11 -2.00 -0.37 132.00 138.14 2k4z h PRO 34 Ca -0.37 -0.01 -0.40 0.00 0.11 0.00 0.00 66.00 65.33 2k4z h PRO 34 Cb 1.15 -0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.16 2k4z h PRO 34 CO 0.54 0.12 -2.33 -3.47 -0.21 0.00 0.00 178.00 172.65 2k4z n ASP 35 N -4.46 1.98 -2.20 -2.05 2.03 -1.26 -4.50 116.55 106.09 2k4z n ASP 35 Ca 0.06 0.13 -0.22 0.00 0.52 0.00 0.00 54.79 55.28 2k4z n ASP 35 Cb 0.34 -0.67 0.19 0.00 -0.72 0.00 0.00 41.12 40.27 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 1.79 4.38 5.35 0.27 0.00 -1.18 -4.99 105.19 110.82 2k4z n GLY 36 Ca -0.46 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.03 0.00 -4.54 1.61 3.41 -0.16 -4.33 113.62 108.58 2k4z n SER 37 Ca 0.57 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.84 2k4z n SER 37 Cb 1.64 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 65.48 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 0.00 4.30 -0.29 -1.33 1.01 -1.26 -0.45 121.20 123.17 2k4z s ILE 38 Ca 0.00 -0.21 -0.20 0.00 0.00 0.00 0.00 60.65 60.24 2k4z s ILE 38 Cb 0.00 -2.93 -0.01 0.00 0.01 0.00 0.00 42.46 39.53 2k4z s ILE 38 CO 0.00 0.45 0.64 -0.62 0.00 0.00 0.00 174.94 175.41 2k4z s ASP 39 N 0.59 6.53 -0.14 3.58 2.15 0.57 -4.78 116.67 125.17 2k4z s ASP 39 Ca 0.00 0.53 0.00 0.00 0.43 0.00 0.00 52.55 53.52 2k4z s ASP 39 Cb -0.14 -2.34 -0.01 0.00 -0.30 0.00 0.00 42.92 40.14 2k4z s ASP 39 CO 0.02 -0.45 -0.15 -0.31 -0.17 0.00 0.00 175.17 174.11 2k4z s TYR 40 N 2.59 2.77 -0.09 -5.34 2.02 -1.26 -0.87 117.35 117.17 2k4z s TYR 40 Ca 0.26 -0.87 0.01 0.00 -0.37 0.00 0.00 57.07 56.10 2k4z s TYR 40 Cb -0.15 -1.86 0.02 0.00 -0.40 0.00 0.00 41.96 39.57 2k4z s TYR 40 CO 0.11 -0.36 -0.11 1.03 -1.57 0.00 0.00 175.55 174.65 2k4z s ARG 41 N 0.58 1.70 -0.30 -0.62 0.52 0.18 -5.01 118.95 116.00 2k4z s ARG 41 Ca -0.09 -0.37 -0.01 0.00 -0.52 0.00 0.00 55.73 54.74 2k4z s ARG 41 Cb -0.16 -1.54 0.06 0.00 0.52 0.00 0.00 34.95 33.83 2k4z s ARG 41 CO 0.03 -0.10 -0.01 -1.64 0.02 0.00 0.00 175.30 173.60 2k4z s MET 42 N 1.11 2.34 -0.01 3.54 -1.94 -1.26 -0.42 119.30 122.65 2k4z s MET 42 Ca -0.06 -1.33 0.00 0.00 -1.71 0.00 0.00 55.69 52.59 2k4z s MET 42 Cb -0.14 -3.14 0.01 0.00 2.01 0.00 0.00 34.83 33.57 2k4z s MET 42 CO -0.02 -0.64 -0.01 0.20 -0.01 0.00 0.00 175.02 174.55 2k4z s GLY 43 N 1.24 0.12 0.06 -0.03 0.00 -0.66 -4.98 107.32 103.07 2k4z s GLY 43 Ca -0.05 0.04 -0.31 0.00 0.00 0.00 0.00 44.72 44.41 2k4z s GLY 43 CO -0.02 0.21 1.54 -1.36 0.00 0.00 0.00 173.10 173.47 2k4z s PHE 44 N 0.38 2.67 0.00 1.90 0.08 -1.26 -0.34 117.98 121.41 2k4z s PHE 44 Ca -0.03 0.55 0.00 0.00 0.12 0.00 0.00 56.93 57.57 2k4z s PHE 44 Cb -0.06 -3.84 0.00 0.00 -0.57 0.00 0.00 43.02 38.55 2k4z s PHE 44 CO -0.01 -3.26 0.00 -3.47 -0.10 0.00 0.00 175.22 168.38 2k4z n ASP 45 N 5.29 0.00 -4.77 1.36 -0.08 0.89 -4.85 116.55 114.39 2k4z n ASP 45 Ca 0.14 -0.42 -0.39 0.00 -1.51 0.00 0.00 54.79 52.62 2k4z n ASP 45 Cb 0.42 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.87 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 0.44 6.22 -0.52 1.67 2.15 -1.26 -1.82 116.67 123.54 2k4z s ASP 46 Ca 0.00 2.66 -0.16 0.00 0.43 0.00 0.00 52.55 55.48 2k4z s ASP 46 Cb 0.00 -2.64 0.11 0.00 -0.30 0.00 0.00 42.92 40.09 2k4z s ASP 46 CO 0.00 -0.91 0.50 -0.22 -0.17 0.00 0.00 175.17 174.36 2k4z s LEU 47 N -2.53 5.90 -0.07 -1.34 0.20 -1.26 -4.79 118.68 114.78 2k4z s LEU 47 Ca 0.58 -1.58 -0.03 0.00 0.69 0.00 0.00 54.13 53.79 2k4z s LEU 47 Cb -0.38 -2.22 -0.04 0.00 -0.43 0.00 0.00 46.19 43.12 2k4z s LEU 47 CO 0.49 -0.83 0.08 -0.89 -0.29 0.00 0.00 176.35 174.91 2k4z s THR 48 N 1.76 4.88 -0.83 3.68 2.01 -1.26 -4.98 115.64 120.90 2k4z s THR 48 Ca 0.05 -0.13 0.01 0.00 0.31 0.00 0.00 61.69 61.93 2k4z s THR 48 Cb -0.27 -3.14 0.09 0.00 0.01 0.00 0.00 72.50 69.19 2k4z s THR 48 CO 0.05 0.53 0.69 -0.62 -0.69 0.00 0.00 174.62 174.57 2k4z n GLU 49 N 1.77 1.42 -0.00 4.92 1.02 -1.26 -2.51 120.64 126.00 2k4z n GLU 49 Ca -0.17 -0.36 0.06 0.00 -0.02 0.00 0.00 57.16 56.67 2k4z n GLU 49 Cb 0.54 -1.54 -0.07 0.00 -0.02 0.00 0.00 31.44 30.34 2k4z n GLU 49 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2k4z n ASP 50 N 0.10 0.59 -4.96 1.62 2.03 -1.26 -5.00 116.55 109.66 2k4z n ASP 50 Ca 0.04 -0.79 -0.22 0.00 0.52 0.00 0.00 54.79 54.34 2k4z n ASP 50 Cb 0.39 1.00 0.02 0.00 -0.72 0.00 0.00 41.12 41.81 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 -2.18 5.67 -0.20 1.67 1.01 -1.04 -4.75 116.67 116.84 2k4z s ASP 51 Ca 0.05 0.14 -0.20 0.00 0.71 0.00 0.00 52.55 53.24 2k4z s ASP 51 Cb 0.09 -1.28 -0.03 0.00 1.01 0.00 0.00 42.92 42.72 2k4z s ASP 51 CO 0.51 -0.82 0.61 -0.63 0.21 0.00 0.00 175.17 175.05 2k4z s ILE 52 N -2.59 5.04 -0.12 0.77 1.01 0.53 -4.82 121.20 121.01 2k4z s ILE 52 Ca 0.51 1.13 -0.14 0.00 0.00 0.00 0.00 60.65 62.15 2k4z s ILE 52 Cb -0.10 -3.92 -0.05 0.00 0.01 0.00 0.00 42.46 38.40 2k4z s ILE 52 CO 0.37 0.12 0.32 -0.13 0.00 0.00 0.00 174.94 175.62 2k4z s ARG 53 N 1.90 4.12 0.04 2.79 0.52 -1.26 -0.79 118.95 126.26 2k4z s ARG 53 Ca 0.28 0.18 0.09 0.00 -0.52 0.00 0.00 55.73 55.75 2k4z s ARG 53 Cb -0.16 -3.36 -0.03 0.00 0.52 0.00 0.00 34.95 31.92 2k4z s ARG 53 CO 0.10 0.37 -0.26 -0.51 0.02 0.00 0.00 175.30 175.03 2k4z s LEU 54 N 0.02 2.20 -0.38 2.53 1.43 0.13 -4.94 118.68 119.67 2k4z s LEU 54 Ca 0.19 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 2k4z s LEU 54 Cb -0.14 -1.31 0.12 0.00 0.03 0.00 0.00 46.19 44.89 2k4z s LEU 54 CO 0.07 0.26 0.17 -0.89 0.23 0.00 0.00 176.35 176.19 2k4z s THR 55 N -0.80 1.25 0.00 5.49 2.01 -1.26 -0.26 115.64 122.08 2k4z s THR 55 Ca 0.12 -2.07 0.00 0.00 0.31 0.00 0.00 61.69 60.05 2k4z s THR 55 Cb -0.10 -1.91 0.00 0.00 0.01 0.00 0.00 72.50 70.50 2k4z s THR 55 CO 0.02 -0.78 0.00 -1.54 -0.69 0.00 0.00 174.62 171.63 2k4z n SER 56 N 4.13 0.00 -1.51 3.53 3.41 -1.19 -4.67 113.62 117.32 2k4z n SER 56 Ca 0.04 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.74 2k4z n SER 56 Cb 0.38 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 64.67 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 -0.49 3.86 0.00 4.33 -0.58 -1.26 -4.84 120.64 121.66 2k4z n GLU 57 Ca 0.00 -2.90 0.00 0.00 -0.42 0.00 0.00 57.16 53.84 2k4z n GLU 57 Cb 0.00 -1.93 0.00 0.00 -0.57 0.00 0.00 31.44 28.94 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 0.76 1.14 3.69 0.62 0.00 -1.26 -5.05 105.19 105.09 2k4z n GLY 58 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.41 4.79 0.00 1.61 1.01 -1.26 -5.03 120.40 120.12 2k4z s VAL 59 Ca 0.00 2.02 -0.22 0.00 0.00 0.00 0.00 61.98 63.79 2k4z s VAL 59 Cb 0.00 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 2k4z s VAL 59 CO 0.00 0.01 0.63 -0.70 0.00 0.00 0.00 175.10 175.04 2k4z s GLU 60 N 2.00 4.36 -0.03 2.72 2.12 -1.26 -3.18 118.70 125.43 2k4z s GLU 60 Ca 0.48 0.81 0.06 0.00 0.36 0.00 0.00 54.97 56.67 2k4z s GLU 60 Cb -0.18 -3.35 -0.01 0.00 0.26 0.00 0.00 34.13 30.84 2k4z s GLU 60 CO 0.18 0.33 -0.21 0.42 -0.54 0.00 0.00 175.26 175.44 2k4z s ILE 61 N -0.11 1.73 -0.18 -3.70 1.01 0.65 -3.11 121.20 117.49 2k4z s ILE 61 Ca 0.33 -0.91 -0.02 0.00 0.00 0.00 0.00 60.65 60.05 2k4z s ILE 61 Cb -0.19 -1.46 -0.01 0.00 0.01 0.00 0.00 42.46 40.82 2k4z s ILE 61 CO 0.18 0.49 -0.10 0.68 0.00 0.00 0.00 174.94 176.19 2k4z s VAL 62 N -0.29 3.07 -0.14 2.92 -7.23 0.71 0.17 120.40 119.61 2k4z s VAL 62 Ca 0.02 -0.62 0.01 0.00 -1.81 0.00 0.00 61.98 59.58 2k4z s VAL 62 Cb -0.11 -2.34 0.02 0.00 0.56 0.00 0.00 36.38 34.52 2k4z s VAL 62 CO 0.01 0.48 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.50 2k4z s ILE 63 N 0.95 1.61 0.39 -0.62 1.01 0.03 -2.49 121.20 122.08 2k4z s ILE 63 Ca -0.02 -0.67 -0.26 0.00 0.00 0.00 0.00 60.65 59.70 2k4z s ILE 63 Cb -0.15 -1.49 -0.09 0.00 0.01 0.00 0.00 42.46 40.75 2k4z s ILE 63 CO -0.01 0.46 1.19 0.00 0.00 0.00 0.00 174.94 176.59 2k4z s ALA 64 N 1.30 3.21 0.41 9.38 0.00 -1.26 -0.35 121.76 134.45 2k4z s ALA 64 Ca 0.01 1.02 0.19 0.00 0.00 0.00 0.00 51.96 53.18 2k4z s ALA 64 Cb -0.14 -3.40 1.12 0.00 0.00 0.00 0.00 23.12 20.71 2k4z s ALA 64 CO -0.08 -0.54 1.80 -1.00 0.00 0.00 0.00 175.76 175.94 2k4z h PRO 65 N 2.80 0.37 -0.90 0.00 0.13 -1.97 0.27 132.00 132.69 2k4z h PRO 65 Ca -0.49 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 2k4z h PRO 65 Cb 1.23 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 32.24 2k4z h PRO 65 CO 0.63 0.24 0.51 -0.44 -0.23 0.00 0.00 178.00 178.71 2k4z h ASP 66 N 0.38 1.12 1.39 1.44 5.19 -2.00 -2.88 116.42 121.06 2k4z h ASP 66 Ca 0.56 -0.09 -0.05 0.00 -0.62 0.00 0.00 57.03 56.83 2k4z h ASP 66 Cb 1.45 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.66 2k4z h ASP 66 CO -0.24 0.89 -0.63 1.88 -3.12 0.00 0.00 179.24 178.02 2k4z h TYR 67 N 1.26 0.00 -0.95 4.55 0.05 -1.31 -3.30 116.97 117.27 2k4z h TYR 67 Ca 0.32 0.00 0.20 0.00 0.05 0.00 0.00 58.73 59.30 2k4z h TYR 67 Cb 0.01 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 37.67 2k4z h TYR 67 CO 0.01 0.18 0.61 0.28 -1.05 0.00 0.00 178.16 178.19 2k4z h VAL 68 N 0.00 0.69 0.00 -2.88 2.07 -1.20 -0.75 116.25 114.18 2k4z h VAL 68 Ca -0.03 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.31 2k4z h VAL 68 Cb 1.16 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2k4z h VAL 68 CO 0.02 0.10 0.00 -1.20 0.02 0.00 0.00 177.57 176.51 2k4z n SER 69 N -4.60 0.05 0.00 0.57 7.64 -1.24 -2.07 113.62 113.97 2k4z n SER 69 Ca 0.21 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.60 2k4z n SER 69 Cb 0.66 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 2k4z n SER 69 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2k4z n LEU 70 N -1.56 0.78 -0.00 -3.43 4.77 -0.33 -4.75 117.00 112.48 2k4z n LEU 70 Ca 0.02 -0.78 0.06 0.00 -0.03 0.00 0.00 56.01 55.28 2k4z n LEU 70 Cb 0.13 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.14 2k4z n LEU 70 CO 0.10 0.20 -0.50 0.18 -1.33 0.00 0.00 177.39 176.05 2k4z n LEU 71 N -0.01 0.12 -4.83 2.23 4.77 -0.88 -5.00 117.00 113.40 2k4z n LEU 71 Ca 0.00 -0.12 -0.32 0.00 -0.03 0.00 0.00 56.01 55.54 2k4z n LEU 71 Cb 0.07 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 2k4z n LEU 71 CO 0.00 0.03 0.68 1.51 -1.33 0.00 0.00 177.39 178.28 2k4z s ASP 72 N -3.03 6.57 -0.66 -1.43 -4.77 -1.05 -3.81 116.67 108.48 2k4z s ASP 72 Ca -0.02 1.62 0.00 0.00 -3.30 0.00 0.00 52.55 50.84 2k4z s ASP 72 Cb 0.08 -2.52 0.00 0.00 -1.09 0.00 0.00 42.92 39.39 2k4z s ASP 72 CO 0.47 -0.63 0.00 0.00 0.70 0.00 0.00 175.17 175.72 2k4z n GLN 73 N -1.51 -0.45 -3.96 2.11 6.02 0.11 -4.97 117.38 114.74 2k4z n GLN 73 Ca 0.07 0.69 -0.22 0.00 -0.01 0.00 0.00 57.00 57.53 2k4z n GLN 73 Cb 0.54 -4.46 -0.04 0.00 1.02 0.00 0.00 30.24 27.29 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 -2.24 3.70 -0.05 5.09 -4.23 -1.16 -4.53 115.64 112.21 2k4z s THR 74 Ca 0.00 -1.46 0.01 0.00 -1.18 0.00 0.00 61.69 59.06 2k4z s THR 74 Cb 0.00 -3.19 0.02 0.00 1.34 0.00 0.00 72.50 70.67 2k4z s THR 74 CO 0.00 -0.23 -0.05 -0.89 -0.54 0.00 0.00 174.62 172.91 2k4z s THR 75 N -2.28 0.56 -0.18 3.99 2.01 -0.73 -1.83 115.64 117.18 2k4z s THR 75 Ca 0.38 -0.12 -0.04 0.00 0.31 0.00 0.00 61.69 62.21 2k4z s THR 75 Cb -0.06 -0.59 -0.02 0.00 0.01 0.00 0.00 72.50 71.84 2k4z s THR 75 CO 0.25 0.23 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.17 2k4z s LEU 76 N 0.98 3.19 0.17 4.42 2.96 0.14 -0.42 118.68 130.13 2k4z s LEU 76 Ca -0.10 -0.19 -0.08 0.00 -0.22 0.00 0.00 54.13 53.54 2k4z s LEU 76 Cb -0.14 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 44.75 2k4z s LEU 76 CO -0.00 0.11 0.26 -0.62 -1.32 0.00 0.00 176.35 174.78 2k4z s ASP 77 N 0.70 0.07 -0.03 3.68 2.15 -1.02 -1.59 116.67 120.63 2k4z s ASP 77 Ca -0.02 -0.96 0.06 0.00 0.43 0.00 0.00 52.55 52.07 2k4z s ASP 77 Cb -0.14 0.43 -0.01 0.00 -0.30 0.00 0.00 42.92 42.89 2k4z s ASP 77 CO 0.02 -0.89 -0.22 -0.72 -0.17 0.00 0.00 175.17 173.19 2k4z s TYR 78 N -4.00 2.00 0.08 -5.34 1.13 -1.26 0.01 117.35 109.97 2k4z s TYR 78 Ca 0.20 -0.44 0.01 0.00 -1.41 0.00 0.00 57.07 55.44 2k4z s TYR 78 Cb 0.04 -1.30 -0.04 0.00 -1.10 0.00 0.00 41.96 39.56 2k4z s TYR 78 CO 0.02 -0.08 -0.06 0.14 -2.51 0.00 0.00 175.55 173.06 2k4z s VAL 79 N -0.39 0.57 -1.03 -3.49 -7.23 -0.16 -4.94 120.40 103.73 2k4z s VAL 79 Ca 0.05 -1.68 -0.15 0.00 -1.81 0.00 0.00 61.98 58.39 2k4z s VAL 79 Cb -0.10 -1.36 0.17 0.00 0.56 0.00 0.00 36.38 35.66 2k4z s VAL 79 CO 0.00 -0.76 1.18 -0.70 -0.31 0.00 0.00 175.10 174.51 2k4z s GLU 80 N -3.23 3.84 0.36 4.82 2.12 -1.26 -0.54 118.70 124.82 2k4z s GLU 80 Ca 0.05 -2.31 0.15 0.00 0.36 0.00 0.00 54.97 53.22 2k4z s GLU 80 Cb 0.01 -4.86 0.70 0.00 0.26 0.00 0.00 34.13 30.24 2k4z s GLU 80 CO -0.04 -1.64 1.77 -0.07 -0.54 0.00 0.00 175.26 174.74 2k4z h LEU 81 N 9.38 0.00 -7.81 2.70 3.38 -1.90 -3.42 115.31 117.64 2k4z h LEU 81 Ca 0.21 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.70 2k4z h LEU 81 Cb 0.96 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 41.36 2k4z h LEU 81 CO 1.10 0.41 -0.80 -1.61 0.09 0.00 0.00 178.44 177.62 2k4z s GLU 82 N -3.89 1.32 -0.42 1.13 2.02 -1.24 -5.07 118.70 112.55 2k4z s GLU 82 Ca -0.02 -0.25 -0.35 0.00 0.02 0.00 0.00 54.97 54.38 2k4z s GLU 82 Cb 0.13 -1.24 -0.12 0.00 0.10 0.00 0.00 34.13 32.99 2k4z s GLU 82 CO 0.71 -0.09 2.24 -2.30 0.02 0.00 0.00 175.26 175.84 2k4z n PRO 83 N 4.23 0.91 0.00 0.39 -0.02 -1.26 0.39 135.00 139.63 2k4z n PRO 83 Ca -0.20 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 2k4z n PRO 83 Cb 0.51 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 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 6.59 2.91 3.08 -1.23 0.00 -1.26 -5.04 105.19 110.24 2k4z n GLY 84 Ca 0.44 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.54 1.81 -0.55 1.61 -0.21 0.16 -5.06 119.66 116.88 2k4z s GLN 85 Ca 0.00 -1.80 -0.27 0.00 0.02 0.00 0.00 55.36 53.31 2k4z s GLN 85 Cb 0.00 -3.37 0.03 0.00 1.00 0.00 0.00 33.01 30.67 2k4z s GLN 85 CO 0.00 -0.97 1.10 -0.06 -2.12 0.00 0.00 175.29 173.24 2k4z s PHE 86 N 1.04 2.70 -0.03 0.91 0.08 -1.26 -3.64 117.98 117.78 2k4z s PHE 86 Ca 0.08 0.32 -0.06 0.00 0.12 0.00 0.00 56.93 57.39 2k4z s PHE 86 Cb -0.21 -4.35 -0.04 0.00 -0.57 0.00 0.00 43.02 37.85 2k4z s PHE 86 CO -0.06 -1.46 0.23 -1.01 -0.10 0.00 0.00 175.22 172.82 2k4z s HIS 87 N 4.54 3.58 -0.08 0.36 3.76 0.30 -4.86 115.29 122.90 2k4z s HIS 87 Ca 0.39 0.54 -0.25 0.00 -0.15 0.00 0.00 55.06 55.60 2k4z s HIS 87 Cb -0.09 -1.96 -0.03 0.00 1.11 0.00 0.00 32.58 31.61 2k4z s HIS 87 CO 0.24 0.65 0.76 -0.06 -0.85 0.00 0.00 174.74 175.48 2k4z s PHE 88 N -1.23 3.56 -0.12 1.40 0.08 -1.26 -0.99 117.98 119.42 2k4z s PHE 88 Ca 0.24 1.31 -0.01 0.00 0.12 0.00 0.00 56.93 58.59 2k4z s PHE 88 Cb -0.13 -2.88 -0.02 0.00 -0.57 0.00 0.00 43.02 39.42 2k4z s PHE 88 CO 0.14 0.02 -0.09 0.96 -0.10 0.00 0.00 175.22 176.14 2k4z s ILE 89 N 1.07 3.45 -0.35 0.64 -4.36 0.10 -4.99 121.20 116.77 2k4z s ILE 89 Ca 0.39 -0.53 -0.09 0.00 -0.26 0.00 0.00 60.65 60.16 2k4z s ILE 89 Cb -0.18 -2.46 0.02 0.00 1.25 0.00 0.00 42.46 41.10 2k4z s ILE 89 CO 0.18 0.54 0.17 -0.36 0.24 0.00 0.00 174.94 175.71 2k4z s PHE 90 N 0.00 3.23 -0.45 1.37 0.40 -1.26 -2.42 117.98 118.85 2k4z s PHE 90 Ca -0.02 -0.99 -0.26 0.00 -0.60 0.00 0.00 56.93 55.06 2k4z s PHE 90 Cb -0.14 -2.38 0.03 0.00 0.51 0.00 0.00 43.02 41.04 2k4z s PHE 90 CO 0.03 -0.63 0.95 -0.51 0.70 0.00 0.00 175.22 175.76 2k4z s LEU 91 N 1.53 3.97 -0.18 -0.37 1.43 0.44 -4.90 118.68 120.60 2k4z s LEU 91 Ca 0.02 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 2k4z s LEU 91 Cb -0.19 -3.24 0.04 0.00 0.03 0.00 0.00 46.19 42.83 2k4z s LEU 91 CO 0.05 -1.04 -0.09 0.21 0.23 0.00 0.00 176.35 175.72 2k4z s ASN 92 N 2.22 3.14 0.00 2.29 3.84 -1.26 -1.77 114.94 123.39 2k4z s ASN 92 Ca 0.38 -0.78 0.24 0.00 0.21 0.00 0.00 52.86 52.92 2k4z s ASN 92 Cb -0.10 -1.11 1.08 0.00 -0.55 0.00 0.00 41.25 40.56 2k4z s ASN 92 CO 0.26 -0.15 1.78 -2.65 -2.79 0.00 0.00 177.10 173.54 2k4z n PRO 93 N 4.76 0.09 0.10 0.43 -0.02 -1.26 -3.58 135.00 135.52 2k4z n PRO 93 Ca -0.14 0.08 -0.05 0.00 -2.02 0.00 0.00 63.50 61.37 2k4z n PRO 93 Cb 0.47 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.43 2k4z n PRO 93 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k4z h ARG 94 N 0.00 -0.31 -1.65 -0.52 3.08 -1.95 -3.44 114.38 109.59 2k4z h ARG 94 Ca 0.00 0.02 -0.24 0.00 0.07 0.00 0.00 59.98 59.83 2k4z h ARG 94 Cb 0.36 0.07 -0.27 0.00 0.08 0.00 0.00 29.97 30.21 2k4z h ARG 94 CO 0.00 -0.20 -0.59 0.34 -1.07 0.00 0.00 179.97 178.45 2k4z s ASP 95 N -4.47 0.29 0.75 7.04 2.15 -1.25 -5.16 116.67 116.03 2k4z s ASP 95 Ca -0.05 -1.07 -0.02 0.00 0.43 0.00 0.00 52.55 51.85 2k4z s ASP 95 Cb 0.00 1.05 0.14 0.00 -0.30 0.00 0.00 42.92 43.82 2k4z s ASP 95 CO 0.14 -0.26 1.04 -2.16 -0.17 0.00 0.00 175.17 173.75 2k4z s PRO 96 N 1.83 1.51 0.48 4.34 0.04 -1.23 -4.73 135.00 137.24 2k4z s PRO 96 Ca 0.15 -1.09 0.27 0.00 0.04 0.00 0.00 61.00 60.37 2k4z s PRO 96 Cb -0.12 -2.28 1.08 0.00 0.04 0.00 0.00 34.50 33.23 2k4z s PRO 96 CO -0.11 -1.59 1.89 1.15 0.04 0.00 0.00 177.00 178.37 2k4z h THR 97 N -0.67 0.37 -0.96 1.26 2.02 -1.91 -3.38 112.91 109.65 2k4z h THR 97 Ca -0.36 -0.89 -0.60 0.00 0.77 0.00 0.00 66.41 65.32 2k4z h THR 97 Cb 1.26 1.66 -0.09 0.00 -1.74 0.00 0.00 68.15 69.25 2k4z h THR 97 CO 0.39 0.14 1.74 -0.31 0.37 0.00 0.00 175.52 177.84 2k4z s TYR 98 N -3.68 2.57 0.08 3.16 2.02 -1.26 -4.96 117.35 115.28 2k4z s TYR 98 Ca 0.01 -1.03 0.04 0.00 -0.37 0.00 0.00 57.07 55.72 2k4z s TYR 98 Cb 0.10 -4.66 -0.04 0.00 -0.40 0.00 0.00 41.96 36.96 2k4z s TYR 98 CO 0.60 -1.84 0.00 1.03 -1.57 0.00 0.00 175.55 173.77 2k4z s ARG 99 N 4.84 2.58 -0.31 -0.62 0.52 -1.26 -5.08 118.95 119.62 2k4z s ARG 99 Ca 0.52 -0.81 -0.29 0.00 -0.52 0.00 0.00 55.73 54.63 2k4z s ARG 99 Cb 0.01 -2.56 -0.02 0.00 0.52 0.00 0.00 34.95 32.91 2k4z s ARG 99 CO -0.01 0.55 1.68 -2.14 0.02 0.00 0.00 175.30 175.40 2k4z s PRO 100 N -2.24 3.50 0.51 3.54 0.02 -1.26 -4.90 135.00 134.17 2k4z s PRO 100 Ca 0.25 1.41 0.16 0.00 0.02 0.00 0.00 61.00 62.85 2k4z s PRO 100 Cb -0.12 -4.12 1.24 0.00 0.02 0.00 0.00 34.50 31.52 2k4z s PRO 100 CO 0.18 -1.65 2.12 -1.35 -0.33 0.00 0.00 177.00 175.96 2k4z h PRO 101 N 11.93 0.06 -0.01 5.54 0.11 -1.99 0.25 132.00 147.88 2k4z h PRO 101 Ca -0.33 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2k4z h PRO 101 Cb 1.15 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2k4z h PRO 101 CO 1.03 0.04 -0.08 0.43 -0.21 0.00 0.00 178.00 179.21 2k4z n SER 102 N -4.51 0.77 0.00 -2.05 7.64 -1.26 -5.04 113.62 109.16 2k4z n SER 102 Ca -0.01 -0.96 0.00 0.00 1.01 0.00 0.00 58.87 58.91 2k4z n SER 102 Cb 0.16 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 2k4z n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k4z n GLY 103 N 1.21 -2.06 0.00 0.23 0.00 0.07 -5.32 105.19 99.33 2k4z n GLY 103 Ca 0.17 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.24 2k4z n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93