#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 2.28 3.56 3.03 0.00 -1.26 -4.88 105.19 107.91 2k4z n GLY -19 Ca 0.00 -1.81 -0.39 0.00 0.00 0.00 0.00 46.02 43.82 2k4z n GLY -19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k4z s SER -18 N 0.00 5.32 -0.64 1.61 0.01 -1.26 -4.86 113.70 113.88 2k4z s SER -18 Ca 0.00 0.50 -0.26 0.00 1.31 0.00 0.00 55.95 57.49 2k4z s SER -18 Cb 0.00 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.69 2k4z s SER -18 CO 0.00 -2.31 1.81 -0.44 0.41 0.00 0.00 173.24 172.71 2k4z s SER -17 N 7.99 5.35 0.00 2.44 0.01 -1.26 -4.75 113.70 123.47 2k4z s SER -17 Ca 0.70 0.21 0.17 0.00 1.31 0.00 0.00 55.95 58.34 2k4z s SER -17 Cb -0.14 -2.53 0.78 0.00 0.21 0.00 0.00 66.02 64.34 2k4z s SER -17 CO 0.23 -2.34 1.52 1.57 0.41 0.00 0.00 173.24 174.63 2k4z n HIS -16 N 12.48 0.00 1.29 2.43 -0.00 -1.18 -0.94 115.22 129.30 2k4z n HIS -16 Ca 0.20 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 58.05 2k4z n HIS -16 Cb 0.52 -0.40 0.52 0.00 -0.00 0.00 0.00 29.99 30.63 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 -1.40 0.00 0.00 1.57 -0.00 -1.25 -4.94 115.22 109.20 2k4z n HIS -15 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.78 2k4z n HIS -15 Cb 0.17 -0.21 0.00 0.00 -0.00 0.00 0.00 29.99 29.95 2k4z n HIS -15 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k4z n HIS -14 N -1.00 0.00 -1.70 4.41 -0.00 -0.11 -4.90 115.22 111.91 2k4z n HIS -14 Ca 0.12 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.41 2k4z n HIS -14 Cb 0.30 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.26 2k4z n HIS -14 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k4z n HIS -13 N 0.00 2.61 0.13 4.41 -0.00 -1.26 -4.88 115.22 116.22 2k4z n HIS -13 Ca 0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 57.72 57.73 2k4z n HIS -13 Cb 0.00 -2.67 0.12 0.00 -0.00 0.00 0.00 29.99 27.44 2k4z n HIS -13 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2k4z h HIS -12 N 7.29 0.00 0.00 4.41 3.86 -1.96 -2.55 115.15 126.20 2k4z h HIS -12 Ca -0.45 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 58.72 2k4z h HIS -12 Cb 1.22 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.68 2k4z h HIS -12 CO 0.69 0.65 -0.21 1.25 0.86 0.00 0.00 177.93 181.18 2k4z h HIS -11 N 0.00 0.00 -1.77 2.45 6.17 -2.00 -3.03 115.15 116.97 2k4z h HIS -11 Ca -0.01 0.00 -0.71 0.00 0.71 0.00 0.00 60.37 60.36 2k4z h HIS -11 Cb 1.25 0.00 -0.31 0.00 2.52 0.00 0.00 27.41 30.87 2k4z h HIS -11 CO 0.00 0.21 0.58 0.43 0.71 0.00 0.00 177.93 179.86 2k4z n SER -10 N -3.29 6.82 -4.56 3.26 7.64 -0.96 -4.99 113.62 117.55 2k4z n SER -10 Ca 0.01 -3.81 -0.38 0.00 1.01 0.00 0.00 58.87 55.70 2k4z n SER -10 Cb 0.47 -0.90 -0.03 0.00 -1.01 0.00 0.00 64.21 62.74 2k4z n SER -10 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2k4z s SER -9 N -1.79 5.07 0.00 6.43 1.04 -1.15 -4.72 113.70 118.59 2k4z s SER -9 Ca 0.52 0.73 0.00 0.00 0.48 0.00 0.00 55.95 57.68 2k4z s SER -9 Cb 0.44 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 64.04 2k4z s SER -9 CO -0.32 -2.46 0.00 0.61 0.98 0.00 0.00 173.24 172.05 2k4z n GLY -8 N 5.77 -2.07 0.08 7.32 0.00 -1.26 -4.95 105.19 110.08 2k4z n GLY -8 Ca 0.26 -1.25 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 2k4z n GLY -8 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2k4z h LEU -7 N 0.00 0.00 -8.35 0.99 3.38 -1.86 -3.13 115.31 106.34 2k4z h LEU -7 Ca 0.00 -0.35 -0.67 0.00 0.09 0.00 0.00 57.88 56.95 2k4z h LEU -7 Cb 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 40.47 2k4z h LEU -7 CO 0.00 1.03 -0.69 -0.69 0.09 0.00 0.00 178.44 178.18 2k4z s VAL -6 N -2.18 3.53 0.01 1.22 1.01 -1.26 -4.75 120.40 117.98 2k4z s VAL -6 Ca -0.18 -0.66 -0.28 0.00 0.00 0.00 0.00 61.98 60.85 2k4z s VAL -6 Cb 0.02 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 2k4z s VAL -6 CO 0.40 0.24 0.88 -2.16 0.00 0.00 0.00 175.10 174.47 2k4z s PRO -5 N 1.46 4.55 -0.69 2.72 0.05 -1.26 -5.01 135.00 136.82 2k4z s PRO -5 Ca 0.03 1.26 -0.22 0.00 0.05 0.00 0.00 61.00 62.12 2k4z s PRO -5 Cb -0.16 -3.43 0.08 0.00 0.05 0.00 0.00 34.50 31.04 2k4z s PRO -5 CO -0.01 0.07 0.98 1.03 0.05 0.00 0.00 177.00 179.12 2k4z s ARG -4 N 0.63 3.16 0.00 4.56 0.52 -1.26 -4.12 118.95 122.44 2k4z s ARG -4 Ca 0.46 -0.93 0.00 0.00 -0.52 0.00 0.00 55.73 54.74 2k4z s ARG -4 Cb -0.21 -4.31 0.00 0.00 0.52 0.00 0.00 34.95 30.96 2k4z s ARG -4 CO 0.25 -1.82 0.00 0.41 0.02 0.00 0.00 175.30 174.17 2k4z n GLY -3 N 5.37 0.54 3.76 -3.53 0.00 -1.26 -5.12 105.19 104.95 2k4z n GLY -3 Ca -0.01 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 2k4z n GLY -3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k4z s SER -2 N -0.25 5.29 0.30 1.61 0.01 -1.26 -5.04 113.70 114.37 2k4z s SER -2 Ca 0.00 2.37 0.09 0.00 1.31 0.00 0.00 55.95 59.72 2k4z s SER -2 Cb 0.00 -2.60 -0.06 0.00 0.21 0.00 0.00 66.02 63.57 2k4z s SER -2 CO 0.00 -1.52 -0.10 -1.00 0.41 0.00 0.00 173.24 171.02 2k4z s HIS -1 N -1.61 2.19 -0.16 2.43 3.76 -1.26 -5.08 115.29 115.55 2k4z s HIS -1 Ca 0.76 -0.54 -0.20 0.00 -0.15 0.00 0.00 55.06 54.93 2k4z s HIS -1 Cb -0.30 -1.19 -0.23 0.00 1.11 0.00 0.00 32.58 31.98 2k4z s HIS -1 CO 0.32 0.49 0.39 0.52 -0.85 0.00 0.00 174.74 175.61 2k4z h MET 0 N 2.18 0.09 -3.80 1.40 2.86 -1.92 -3.45 114.93 112.29 2k4z h MET 0 Ca -0.41 -0.15 -0.40 0.00 -2.06 0.00 0.00 59.70 56.68 2k4z h MET 0 Cb 1.24 0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.98 2k4z h MET 0 CO 0.67 1.07 -0.56 -1.33 1.06 0.00 0.00 176.91 177.82 2k4z n MET 1 N -4.23 -3.23 -2.62 1.72 2.81 -1.26 -1.94 117.12 108.37 2k4z n MET 1 Ca -0.27 0.93 -0.43 0.00 -1.81 0.00 0.00 57.70 56.12 2k4z n MET 1 Cb 0.75 -5.68 -0.02 0.00 -0.71 0.00 0.00 33.22 27.55 2k4z n MET 1 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 2k4z s PHE 2 N -3.08 2.87 -0.85 2.03 5.36 -1.26 -3.78 117.98 119.27 2k4z s PHE 2 Ca 0.15 0.78 -0.17 0.00 -0.96 0.00 0.00 56.93 56.74 2k4z s PHE 2 Cb -0.07 -4.30 0.16 0.00 -0.34 0.00 0.00 43.02 38.48 2k4z s PHE 2 CO 0.19 -1.18 0.94 0.21 -1.46 0.00 0.00 175.22 173.91 2k4z s LYS 3 N 4.30 3.54 -0.35 10.12 2.20 -0.17 -4.97 119.74 134.42 2k4z s LYS 3 Ca 0.47 -1.99 -0.18 0.00 -0.36 0.00 0.00 55.97 53.90 2k4z s LYS 3 Cb -0.08 -4.65 -0.00 0.00 -1.51 0.00 0.00 37.83 31.59 2k4z s LYS 3 CO 0.29 -1.56 0.52 -1.17 -0.36 0.00 0.00 175.35 173.08 2k4z s LEU 4 N 1.68 4.35 0.49 5.43 0.20 -1.26 0.21 118.68 129.78 2k4z s LEU 4 Ca 0.25 -0.02 -0.19 0.00 0.69 0.00 0.00 54.13 54.85 2k4z s LEU 4 Cb -0.09 -2.60 -0.08 0.00 -0.43 0.00 0.00 46.19 42.98 2k4z s LEU 4 CO -0.08 -0.49 1.00 0.42 -0.29 0.00 0.00 176.35 176.91 2k4z s THR 5 N 2.42 4.13 0.55 3.68 -4.23 -0.64 -4.88 115.64 116.67 2k4z s THR 5 Ca 0.19 1.21 0.25 0.00 -1.18 0.00 0.00 61.69 62.17 2k4z s THR 5 Cb -0.15 -3.54 0.37 0.00 1.34 0.00 0.00 72.50 70.52 2k4z s THR 5 CO 0.13 -0.39 2.03 1.55 -0.54 0.00 0.00 174.62 177.41 2k4z h PRO 6 N 1.37 0.00 -0.26 3.99 0.13 -1.97 -0.57 132.00 134.70 2k4z h PRO 6 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 2k4z h PRO 6 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2k4z h PRO 6 CO 0.60 0.00 0.04 0.00 -0.23 0.00 0.00 178.00 178.40 2k4z h ALA 7 N 1.76 0.34 -0.40 -0.56 0.00 -1.92 -1.72 119.26 116.76 2k4z h ALA 7 Ca 0.17 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2k4z h ALA 7 Cb 0.76 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2k4z h ALA 7 CO -0.00 0.03 -0.19 0.00 0.00 0.00 0.00 179.25 179.09 2k4z h ALA 8 N 0.85 0.91 -0.58 0.00 0.00 -1.45 -2.71 119.26 116.28 2k4z h ALA 8 Ca 0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2k4z h ALA 8 Cb 0.34 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2k4z h ALA 8 CO 0.01 0.62 0.32 0.00 0.00 0.00 0.00 179.25 180.20 2k4z h ALA 9 N 1.11 1.47 -0.70 0.00 0.00 -1.09 -2.56 119.26 117.48 2k4z h ALA 9 Ca 0.10 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2k4z h ALA 9 Cb 0.69 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2k4z h ALA 9 CO 0.05 0.44 0.22 1.49 0.00 0.00 0.00 179.25 181.45 2k4z h GLU 10 N 0.81 1.10 -0.46 0.00 4.81 -0.98 -0.66 114.58 119.19 2k4z h GLU 10 Ca 0.21 -0.24 -0.12 0.00 -0.13 0.00 0.00 59.36 59.08 2k4z h GLU 10 Cb 0.02 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 2k4z h GLU 10 CO -0.03 0.95 -0.19 0.37 -0.73 0.00 0.00 179.01 179.37 2k4z h GLN 11 N 1.04 0.90 -0.62 1.92 4.15 -1.42 0.53 115.11 121.60 2k4z h GLN 11 Ca 0.23 -0.36 -0.03 0.00 0.77 0.00 0.00 58.65 59.26 2k4z h GLN 11 Cb 0.31 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.93 2k4z h GLN 11 CO -0.01 1.01 0.28 0.28 -1.93 0.00 0.00 178.83 178.46 2k4z h VAL 12 N 0.79 1.22 -0.39 2.39 2.07 -1.24 -2.08 116.25 119.02 2k4z h VAL 12 Ca 0.11 -0.66 -0.09 0.00 0.82 0.00 0.00 66.70 66.88 2k4z h VAL 12 Cb 0.73 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 2k4z h VAL 12 CO 0.06 0.26 -0.14 0.25 0.02 0.00 0.00 177.57 178.02 2k4z h LEU 13 N 0.86 0.69 -0.52 2.57 5.85 -0.76 -3.19 115.31 120.82 2k4z h LEU 13 Ca 0.21 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2k4z h LEU 13 Cb 0.15 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2k4z h LEU 13 CO -0.02 0.85 0.30 0.50 -0.34 0.00 0.00 178.44 179.73 2k4z h LYS 14 N 0.63 0.71 -0.19 1.25 3.64 0.61 0.46 116.57 123.69 2k4z h LYS 14 Ca 0.10 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 2k4z h LYS 14 Cb 0.60 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2k4z h LYS 14 CO 0.04 0.53 -0.03 0.00 -2.27 0.00 0.00 179.45 177.72 2k4z h ALA 15 N 1.14 1.60 0.10 5.00 0.00 -1.38 -1.86 119.26 123.86 2k4z h ALA 15 Ca 0.19 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 2k4z h ALA 15 Cb 0.01 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.72 2k4z h ALA 15 CO -0.03 0.30 -0.73 0.00 0.00 0.00 0.00 179.25 178.78 2k4z h ALA 16 N 1.70 -0.03 -1.00 0.00 0.00 -1.38 -0.90 119.26 117.66 2k4z h ALA 16 Ca 0.06 -0.72 0.10 0.00 0.00 0.00 0.00 54.91 54.35 2k4z h ALA 16 Cb 0.24 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.10 2k4z h ALA 16 CO 0.01 0.36 0.64 -0.22 0.00 0.00 0.00 179.25 180.04 2k4z h LYS 17 N -0.52 1.01 -0.01 0.00 3.64 0.14 -0.32 116.57 120.52 2k4z h LYS 17 Ca -0.14 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 2k4z h LYS 17 Cb 1.51 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2k4z h LYS 17 CO 0.10 0.67 0.00 1.04 -2.27 0.00 0.00 179.45 178.99 2k4z n GLN 18 N -4.58 1.02 -0.71 1.90 6.02 -0.72 -4.83 117.38 115.49 2k4z n GLN 18 Ca 0.18 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 2k4z n GLN 18 Cb 0.30 -1.18 0.00 0.00 1.02 0.00 0.00 30.24 30.38 2k4z n GLN 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k4z n GLY 19 N 0.69 0.57 0.00 1.08 0.00 -0.13 -4.99 105.19 102.40 2k4z n GLY 19 Ca 0.09 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.71 0.01 1.53 -0.02 0.00 -0.46 -4.62 105.19 98.92 2k4z n GLY 20 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.69 2.77 -1.75 2.61 -2.24 -0.51 -4.95 114.28 108.52 2k4z n THR 21 Ca 0.00 -2.45 -0.42 0.00 -2.27 0.00 0.00 64.05 58.91 2k4z n THR 21 Cb 0.00 -0.37 -0.03 0.00 -2.10 0.00 0.00 70.33 67.83 2k4z n THR 21 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2k4z s GLU 22 N -3.26 3.89 0.00 -0.78 2.12 -1.24 -1.49 118.70 117.94 2k4z s GLU 22 Ca 0.49 2.33 0.00 0.00 0.36 0.00 0.00 54.97 58.14 2k4z s GLU 22 Cb 0.43 -4.17 0.00 0.00 0.26 0.00 0.00 34.13 30.65 2k4z s GLU 22 CO 0.04 -1.23 0.00 0.41 -0.54 0.00 0.00 175.26 173.94 2k4z n GLY 23 N 4.76 0.50 3.90 -1.50 0.00 -1.26 -5.08 105.19 106.51 2k4z n GLY 23 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.70 3.56 0.22 1.61 -1.94 -0.55 -5.09 119.30 116.41 2k4z s MET 24 Ca 0.00 -0.16 0.02 0.00 -1.71 0.00 0.00 55.69 53.84 2k4z s MET 24 Cb 0.00 -3.01 -0.04 0.00 2.01 0.00 0.00 34.83 33.80 2k4z s MET 24 CO 0.00 0.59 0.38 0.00 -0.01 0.00 0.00 175.02 175.98 2k4z s LEU 26 N -3.59 4.12 -0.20 0.00 2.96 -0.90 -0.47 118.68 120.58 2k4z s LEU 26 Ca 0.37 0.71 -0.07 0.00 -0.22 0.00 0.00 54.13 54.92 2k4z s LEU 26 Cb -0.10 -2.79 -0.04 0.00 0.50 0.00 0.00 46.19 43.76 2k4z s LEU 26 CO 0.30 -0.26 0.06 -0.60 -1.32 0.00 0.00 176.35 174.52 2k4z s ARG 27 N 1.97 3.84 -0.40 1.98 6.06 0.15 0.19 118.95 132.75 2k4z s ARG 27 Ca 0.26 -0.40 -0.15 0.00 -2.50 0.00 0.00 55.73 52.93 2k4z s ARG 27 Cb -0.16 -3.22 0.02 0.00 0.06 0.00 0.00 34.95 31.65 2k4z s ARG 27 CO 0.10 0.12 0.29 -0.51 -2.50 0.00 0.00 175.30 172.80 2k4z s LEU 28 N 0.77 5.03 -0.28 -0.88 1.43 -1.09 -2.19 118.68 121.47 2k4z s LEU 28 Ca 0.03 -0.84 -0.08 0.00 -1.03 0.00 0.00 54.13 52.22 2k4z s LEU 28 Cb -0.14 -2.16 -0.01 0.00 0.03 0.00 0.00 46.19 43.92 2k4z s LEU 28 CO 0.02 -0.42 0.09 0.00 0.23 0.00 0.00 176.35 176.27 2k4z s ALA 29 N 1.68 3.15 -0.10 4.21 0.00 0.30 -4.64 121.76 126.36 2k4z s ALA 29 Ca 0.05 -1.28 -0.05 0.00 0.00 0.00 0.00 51.96 50.68 2k4z s ALA 29 Cb -0.19 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 2k4z s ALA 29 CO 0.10 -0.71 0.08 0.00 0.00 0.00 0.00 175.76 175.23 2k4z s ALA 30 N 1.58 3.63 0.00 0.00 0.00 -1.26 -0.48 121.76 125.23 2k4z s ALA 30 Ca 0.05 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.30 2k4z s ALA 30 Cb -0.16 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.20 2k4z s ALA 30 CO 0.04 0.61 0.00 0.41 0.00 0.00 0.00 175.76 176.81 2k4z n GLY 31 N 2.04 4.89 3.32 0.00 0.00 0.26 -4.87 105.19 110.84 2k4z n GLY 31 Ca -0.19 -1.20 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 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 1.37 0.52 -0.15 1.61 0.52 -1.26 -1.14 118.95 120.42 2k4z s ARG 32 Ca 0.00 0.53 -0.21 0.00 -0.52 0.00 0.00 55.73 55.53 2k4z s ARG 32 Cb 0.00 0.25 -0.03 0.00 0.52 0.00 0.00 34.95 35.69 2k4z s ARG 32 CO 0.00 -0.07 0.61 -0.80 0.02 0.00 0.00 175.30 175.05 2k4z s ASN 33 N 0.08 6.76 0.60 0.23 0.02 0.15 -4.73 114.94 118.04 2k4z s ASN 33 Ca -0.01 0.91 0.32 0.00 -1.02 0.00 0.00 52.86 53.06 2k4z s ASN 33 Cb -0.03 -2.35 1.73 0.00 0.02 0.00 0.00 41.25 40.62 2k4z s ASN 33 CO 0.01 -0.16 1.96 -0.65 0.02 0.00 0.00 177.10 178.28 2k4z h PRO 34 N 7.12 0.00 0.00 -0.60 0.11 -2.01 0.27 132.00 136.89 2k4z h PRO 34 Ca -0.36 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.64 2k4z h PRO 34 Cb 1.17 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2k4z h PRO 34 CO 0.76 0.00 -0.52 -0.44 -0.21 0.00 0.00 178.00 177.60 2k4z h ASP 35 N 0.00 0.00 0.00 -2.05 3.32 -2.05 -3.47 116.42 112.17 2k4z h ASP 35 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k4z h ASP 35 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2k4z h ASP 35 CO 0.00 0.52 0.00 0.61 -1.72 0.00 0.00 179.24 178.65 2k4z n GLY 36 N 0.11 0.98 3.89 2.75 0.00 0.08 -5.15 105.19 107.86 2k4z n GLY 36 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2k4z n GLY 36 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k4z s SER 37 N 0.00 6.44 0.23 1.61 1.04 -1.22 -4.83 113.70 116.98 2k4z s SER 37 Ca 0.00 0.95 -0.23 0.00 0.48 0.00 0.00 55.95 57.14 2k4z s SER 37 Cb 0.00 -2.25 -0.09 0.00 0.10 0.00 0.00 66.02 63.79 2k4z s SER 37 CO 0.00 -0.37 0.80 -0.63 0.98 0.00 0.00 173.24 174.03 2k4z s ILE 38 N -2.35 4.40 -0.12 -1.02 1.01 -1.26 0.29 121.20 122.16 2k4z s ILE 38 Ca 0.48 1.57 -0.16 0.00 0.00 0.00 0.00 60.65 62.54 2k4z s ILE 38 Cb -0.10 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.33 2k4z s ILE 38 CO 0.33 0.29 0.39 -0.62 0.00 0.00 0.00 174.94 175.34 2k4z s ASP 39 N -1.49 6.61 -0.30 3.58 2.15 -0.29 -4.73 116.67 122.21 2k4z s ASP 39 Ca 0.43 0.72 0.02 0.00 0.43 0.00 0.00 52.55 54.15 2k4z s ASP 39 Cb -0.19 -2.24 0.09 0.00 -0.30 0.00 0.00 42.92 40.27 2k4z s ASP 39 CO 0.24 0.09 0.03 -0.31 -0.17 0.00 0.00 175.17 175.04 2k4z s TYR 40 N 0.28 2.75 -0.44 -5.34 2.02 -1.26 -0.57 117.35 114.79 2k4z s TYR 40 Ca 0.22 -2.24 -0.11 0.00 -0.37 0.00 0.00 57.07 54.56 2k4z s TYR 40 Cb -0.15 -2.14 0.08 0.00 -0.40 0.00 0.00 41.96 39.35 2k4z s TYR 40 CO 0.08 -0.87 0.31 1.03 -1.57 0.00 0.00 175.55 174.53 2k4z s ARG 41 N 1.26 2.73 -0.35 -0.62 0.52 0.37 -5.01 118.95 117.85 2k4z s ARG 41 Ca 0.05 -1.43 -0.07 0.00 -0.52 0.00 0.00 55.73 53.76 2k4z s ARG 41 Cb -0.18 -3.91 0.04 0.00 0.52 0.00 0.00 34.95 31.42 2k4z s ARG 41 CO -0.12 -0.99 0.13 -1.64 0.02 0.00 0.00 175.30 172.70 2k4z s MET 42 N 1.50 2.62 0.21 3.54 -1.94 -1.26 -0.54 119.30 123.42 2k4z s MET 42 Ca 0.03 -1.22 -0.05 0.00 -1.71 0.00 0.00 55.69 52.75 2k4z s MET 42 Cb -0.24 -3.52 -0.03 0.00 2.01 0.00 0.00 34.83 33.05 2k4z s MET 42 CO 0.04 -0.71 0.24 0.20 -0.01 0.00 0.00 175.02 174.77 2k4z s GLY 43 N 1.50 1.09 -0.17 -0.03 0.00 -0.93 -5.00 107.32 103.78 2k4z s GLY 43 Ca -0.01 -1.39 -0.19 0.00 0.00 0.00 0.00 44.72 43.14 2k4z s GLY 43 CO 0.03 -1.13 0.51 -1.36 0.00 0.00 0.00 173.10 171.15 2k4z s PHE 44 N -4.10 3.43 0.00 1.90 0.40 -1.26 0.31 117.98 118.65 2k4z s PHE 44 Ca 0.32 0.83 0.00 0.00 -0.60 0.00 0.00 56.93 57.48 2k4z s PHE 44 Cb 0.05 -2.64 0.00 0.00 0.51 0.00 0.00 43.02 40.94 2k4z s PHE 44 CO 0.10 -0.00 0.00 -3.47 0.70 0.00 0.00 175.22 172.54 2k4z n ASP 45 N 4.38 0.00 -4.77 1.36 2.03 0.38 -4.89 116.55 115.03 2k4z n ASP 45 Ca -0.05 -0.63 -0.37 0.00 0.52 0.00 0.00 54.79 54.25 2k4z n ASP 45 Cb 0.51 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.88 2k4z n ASP 45 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2k4z s ASP 46 N -0.16 6.70 -0.90 1.67 2.15 -1.26 -3.38 116.67 121.49 2k4z s ASP 46 Ca 0.00 2.17 -0.22 0.00 0.43 0.00 0.00 52.55 54.93 2k4z s ASP 46 Cb 0.00 -2.60 0.08 0.00 -0.30 0.00 0.00 42.92 40.10 2k4z s ASP 46 CO 0.00 -0.54 1.23 -0.22 -0.17 0.00 0.00 175.17 175.47 2k4z s LEU 47 N -2.50 4.19 -0.10 -1.34 0.20 -1.26 -4.93 118.68 112.93 2k4z s LEU 47 Ca 0.57 -1.49 -0.25 0.00 0.69 0.00 0.00 54.13 53.65 2k4z s LEU 47 Cb -0.26 -2.48 -0.03 0.00 -0.43 0.00 0.00 46.19 42.99 2k4z s LEU 47 CO 0.33 -1.37 0.79 -0.89 -0.29 0.00 0.00 176.35 174.91 2k4z s THR 48 N 4.06 4.96 0.22 3.68 2.01 -1.26 -4.94 115.64 124.36 2k4z s THR 48 Ca 0.36 1.59 0.26 0.00 0.31 0.00 0.00 61.69 64.21 2k4z s THR 48 Cb -0.05 -4.11 0.26 0.00 0.01 0.00 0.00 72.50 68.60 2k4z s THR 48 CO -0.04 0.15 1.91 -0.33 -0.69 0.00 0.00 174.62 175.62 2k4z h GLU 49 N 7.02 0.00 0.00 4.92 5.08 -2.01 -2.36 114.58 127.23 2k4z h GLU 49 Ca -0.36 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.89 2k4z h GLU 49 Cb 1.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 2k4z h GLU 49 CO 0.79 0.18 -0.52 0.22 -1.00 0.00 0.00 179.01 178.68 2k4z h ASP 50 N 0.00 0.00 -4.21 1.42 3.58 -1.99 -3.44 116.42 111.77 2k4z h ASP 50 Ca -0.00 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 56.95 2k4z h ASP 50 Cb 0.61 0.00 0.08 0.00 1.72 0.00 0.00 39.33 41.74 2k4z h ASP 50 CO 0.02 0.52 0.37 -1.81 -2.88 0.00 0.00 179.24 175.47 2k4z s ASP 51 N -6.61 5.49 -0.05 2.28 1.11 -0.89 -4.82 116.67 113.18 2k4z s ASP 51 Ca -0.00 1.87 -0.30 0.00 0.18 0.00 0.00 52.55 54.30 2k4z s ASP 51 Cb 0.11 -2.54 -0.03 0.00 1.07 0.00 0.00 42.92 41.53 2k4z s ASP 51 CO 0.73 -1.37 1.21 -0.63 1.18 0.00 0.00 175.17 176.29 2k4z s ILE 52 N -2.47 4.23 -0.57 0.77 1.01 0.11 -4.74 121.20 119.54 2k4z s ILE 52 Ca 0.64 1.56 -0.22 0.00 0.00 0.00 0.00 60.65 62.63 2k4z s ILE 52 Cb -0.17 -4.00 0.06 0.00 0.01 0.00 0.00 42.46 38.35 2k4z s ILE 52 CO 0.40 -0.00 0.83 -0.60 0.00 0.00 0.00 174.94 175.57 2k4z s ARG 53 N 2.24 3.19 -0.41 2.79 3.52 -1.26 -1.14 118.95 127.88 2k4z s ARG 53 Ca 0.56 -0.69 -0.10 0.00 -0.13 0.00 0.00 55.73 55.37 2k4z s ARG 53 Cb -0.25 -4.13 0.07 0.00 -1.56 0.00 0.00 34.95 29.08 2k4z s ARG 53 CO 0.22 -1.50 0.25 -1.17 -0.81 0.00 0.00 175.30 172.29 2k4z s LEU 54 N 3.48 5.07 -0.81 -0.88 2.96 0.19 -4.94 118.68 123.76 2k4z s LEU 54 Ca 0.22 -1.38 -0.20 0.00 -0.22 0.00 0.00 54.13 52.55 2k4z s LEU 54 Cb -0.17 -2.00 0.11 0.00 0.50 0.00 0.00 46.19 44.63 2k4z s LEU 54 CO 0.14 -0.51 1.02 -0.89 -1.32 0.00 0.00 176.35 174.79 2k4z s THR 55 N 1.47 4.64 -1.02 3.68 2.01 -1.26 0.24 115.64 125.39 2k4z s THR 55 Ca 0.03 -1.17 -0.16 0.00 0.31 0.00 0.00 61.69 60.69 2k4z s THR 55 Cb -0.22 -4.71 0.16 0.00 0.01 0.00 0.00 72.50 67.74 2k4z s THR 55 CO 0.03 -1.44 1.20 -0.55 -0.69 0.00 0.00 174.62 173.18 2k4z s SER 56 N 3.61 6.82 0.00 3.53 0.15 0.52 -4.72 113.70 123.61 2k4z s SER 56 Ca 0.27 -2.49 0.00 0.00 0.70 0.00 0.00 55.95 54.43 2k4z s SER 56 Cb -0.11 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 2k4z s SER 56 CO -0.02 -0.88 0.00 1.21 1.20 0.00 0.00 173.24 174.75 2k4z n GLU 57 N 5.85 0.00 0.00 5.44 2.13 -1.26 -2.12 120.64 130.68 2k4z n GLU 57 Ca 0.27 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.09 2k4z n GLU 57 Cb 0.46 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.17 2k4z n GLU 57 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k4z n GLY 58 N 0.00 0.00 3.72 8.31 0.00 -1.26 -5.08 105.19 110.87 2k4z n GLY 58 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2k4z n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k4z s VAL 59 N -0.89 5.07 -0.30 1.61 1.01 -0.90 -5.04 120.40 120.97 2k4z s VAL 59 Ca 0.00 1.35 -0.17 0.00 0.00 0.00 0.00 61.98 63.16 2k4z s VAL 59 Cb 0.00 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 2k4z s VAL 59 CO 0.00 0.26 0.44 -0.70 0.00 0.00 0.00 175.10 175.11 2k4z s GLU 60 N 0.78 3.85 0.01 2.72 2.12 -1.26 -0.36 118.70 126.57 2k4z s GLU 60 Ca 0.35 -0.02 0.05 0.00 0.36 0.00 0.00 54.97 55.72 2k4z s GLU 60 Cb -0.17 -3.72 -0.03 0.00 0.26 0.00 0.00 34.13 30.47 2k4z s GLU 60 CO 0.16 -0.44 -0.15 0.42 -0.54 0.00 0.00 175.26 174.72 2k4z s ILE 61 N 2.21 3.03 -0.16 -3.70 1.01 0.14 -2.13 121.20 121.60 2k4z s ILE 61 Ca 0.17 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.84 2k4z s ILE 61 Cb -0.16 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 40.05 2k4z s ILE 61 CO 0.11 0.41 -0.17 0.68 0.00 0.00 0.00 174.94 175.98 2k4z s VAL 62 N -0.89 2.51 -0.15 2.92 -7.23 0.13 0.57 120.40 118.26 2k4z s VAL 62 Ca 0.14 -0.82 -0.00 0.00 -1.81 0.00 0.00 61.98 59.50 2k4z s VAL 62 Cb -0.11 -2.05 0.03 0.00 0.56 0.00 0.00 36.38 34.81 2k4z s VAL 62 CO 0.05 0.52 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.64 2k4z s ILE 63 N 0.91 1.23 0.53 -0.62 1.01 -0.29 -2.68 121.20 121.28 2k4z s ILE 63 Ca -0.04 -0.56 -0.19 0.00 0.00 0.00 0.00 60.65 59.86 2k4z s ILE 63 Cb -0.15 -1.29 -0.06 0.00 0.01 0.00 0.00 42.46 40.97 2k4z s ILE 63 CO -0.02 0.28 1.09 0.00 0.00 0.00 0.00 174.94 176.28 2k4z s ALA 64 N 1.61 2.75 0.43 9.38 0.00 -1.26 0.04 121.76 134.71 2k4z s ALA 64 Ca 0.03 0.69 0.20 0.00 0.00 0.00 0.00 51.96 52.87 2k4z s ALA 64 Cb -0.14 -3.31 1.14 0.00 0.00 0.00 0.00 23.12 20.82 2k4z s ALA 64 CO -0.08 -0.63 1.84 -1.35 0.00 0.00 0.00 175.76 175.54 2k4z h PRO 65 N 1.20 0.34 -0.22 0.00 0.11 -1.98 0.11 132.00 131.57 2k4z h PRO 65 Ca -0.49 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 2k4z h PRO 65 Cb 1.24 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2k4z h PRO 65 CO 0.58 0.23 0.02 -0.44 -0.21 0.00 0.00 178.00 178.17 2k4z h ASP 66 N 0.35 0.29 0.62 -2.05 5.19 -2.01 -2.69 116.42 116.13 2k4z h ASP 66 Ca 0.49 -0.03 -0.27 0.00 -0.62 0.00 0.00 57.03 56.59 2k4z h ASP 66 Cb 1.32 -0.07 -0.04 0.00 0.18 0.00 0.00 39.33 40.72 2k4z h ASP 66 CO -0.18 0.33 -1.48 1.88 -3.12 0.00 0.00 179.24 176.68 2k4z h TYR 67 N 0.32 0.09 -0.69 4.55 0.05 -1.13 -3.36 116.97 116.80 2k4z h TYR 67 Ca 0.08 -0.07 0.12 0.00 0.05 0.00 0.00 58.73 58.91 2k4z h TYR 67 Cb 0.18 -0.00 -0.09 0.00 1.01 0.00 0.00 36.73 37.83 2k4z h TYR 67 CO 0.00 1.09 0.25 0.28 -1.05 0.00 0.00 178.16 178.74 2k4z h VAL 68 N 0.01 0.70 0.00 -2.88 2.07 -1.03 -0.26 116.25 114.85 2k4z h VAL 68 Ca -0.20 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.18 2k4z h VAL 68 Cb 1.94 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 2k4z h VAL 68 CO 0.11 0.08 0.00 -1.20 0.02 0.00 0.00 177.57 176.57 2k4z n SER 69 N -5.01 0.00 -0.23 0.57 7.64 -1.22 -2.32 113.62 113.05 2k4z n SER 69 Ca 0.12 -0.38 0.03 0.00 1.01 0.00 0.00 58.87 59.64 2k4z n SER 69 Cb 0.35 -0.08 0.04 0.00 -1.01 0.00 0.00 64.21 63.51 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 -1.08 0.93 -0.13 -3.43 4.77 -0.15 -4.77 117.00 113.15 2k4z n LEU 70 Ca 0.12 -1.57 0.02 0.00 -0.03 0.00 0.00 56.01 54.55 2k4z n LEU 70 Cb 0.08 -0.13 0.03 0.00 -2.33 0.00 0.00 43.42 41.07 2k4z n LEU 70 CO 0.11 0.37 0.37 0.18 -1.33 0.00 0.00 177.39 177.10 2k4z n LEU 71 N -0.49 0.96 -4.80 2.23 4.77 -0.95 -4.94 117.00 113.78 2k4z n LEU 71 Ca 0.05 -1.32 -0.35 0.00 -0.03 0.00 0.00 56.01 54.35 2k4z n LEU 71 Cb 0.59 -0.08 -0.07 0.00 -2.33 0.00 0.00 43.42 41.54 2k4z n LEU 71 CO 0.00 0.32 0.60 1.51 -1.33 0.00 0.00 177.39 178.49 2k4z s ASP 72 N -1.02 7.15 -1.50 -1.43 -4.77 -1.24 -3.53 116.67 110.33 2k4z s ASP 72 Ca 0.06 1.70 0.00 0.00 -3.30 0.00 0.00 52.55 51.01 2k4z s ASP 72 Cb 0.05 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.35 2k4z s ASP 72 CO 0.01 -0.14 0.00 0.00 0.70 0.00 0.00 175.17 175.73 2k4z n GLN 73 N 0.18 -1.00 -2.80 2.11 6.02 -0.82 -4.95 117.38 116.13 2k4z n GLN 73 Ca 0.03 0.98 -0.43 0.00 -0.01 0.00 0.00 57.00 57.57 2k4z n GLN 73 Cb 0.52 -5.10 -0.04 0.00 1.02 0.00 0.00 30.24 26.64 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 -2.54 4.35 -0.38 5.09 2.01 -1.23 -4.50 115.64 118.44 2k4z s THR 74 Ca 0.00 0.46 -0.20 0.00 0.31 0.00 0.00 61.69 62.26 2k4z s THR 74 Cb 0.00 -4.54 0.01 0.00 0.01 0.00 0.00 72.50 67.97 2k4z s THR 74 CO 0.00 -1.09 0.61 -0.89 -0.69 0.00 0.00 174.62 172.56 2k4z s THR 75 N 4.05 4.90 -0.37 -0.82 2.01 -1.20 -0.99 115.64 123.21 2k4z s THR 75 Ca 0.33 0.37 -0.13 0.00 0.31 0.00 0.00 61.69 62.58 2k4z s THR 75 Cb -0.11 -4.10 0.01 0.00 0.01 0.00 0.00 72.50 68.31 2k4z s THR 75 CO 0.22 -0.39 0.24 -0.22 -0.69 0.00 0.00 174.62 173.78 2k4z s LEU 76 N 2.68 4.74 0.15 4.42 2.96 0.13 -0.74 118.68 133.03 2k4z s LEU 76 Ca 0.23 -0.79 0.10 0.00 -0.22 0.00 0.00 54.13 53.45 2k4z s LEU 76 Cb -0.15 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 2k4z s LEU 76 CO 0.16 -0.36 -0.24 -0.62 -1.32 0.00 0.00 176.35 173.98 2k4z s ASP 77 N 1.64 3.14 -0.47 3.68 2.15 -0.70 -1.62 116.67 124.48 2k4z s ASP 77 Ca 0.04 -0.79 -0.02 0.00 0.43 0.00 0.00 52.55 52.21 2k4z s ASP 77 Cb -0.18 -0.21 0.13 0.00 -0.30 0.00 0.00 42.92 42.35 2k4z s ASP 77 CO 0.09 0.11 0.26 -0.47 -0.17 0.00 0.00 175.17 174.99 2k4z s TYR 78 N -1.42 3.52 0.27 -5.34 5.04 -1.26 -0.44 117.35 117.72 2k4z s TYR 78 Ca 0.15 -2.62 0.02 0.00 -2.44 0.00 0.00 57.07 52.18 2k4z s TYR 78 Cb -0.09 -3.16 -0.01 0.00 0.35 0.00 0.00 41.96 39.05 2k4z s TYR 78 CO 0.07 -0.92 0.07 1.33 -1.34 0.00 0.00 175.55 174.77 2k4z n VAL 79 N 4.13 0.00 -3.98 3.14 0.24 -1.04 -4.74 118.33 116.08 2k4z n VAL 79 Ca 0.02 -1.48 -0.33 0.00 -2.04 0.00 0.00 64.34 60.51 2k4z n VAL 79 Cb 0.40 0.48 -0.14 0.00 -1.47 0.00 0.00 33.84 33.11 2k4z n VAL 79 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2k4z s GLU 80 N -3.00 2.03 0.23 7.34 -1.05 -1.26 0.39 118.70 123.39 2k4z s GLU 80 Ca 0.10 -1.54 -0.06 0.00 -0.15 0.00 0.00 54.97 53.32 2k4z s GLU 80 Cb 0.00 -3.14 0.23 0.00 -0.44 0.00 0.00 34.13 30.79 2k4z s GLU 80 CO 0.07 -0.75 1.80 -0.07 0.95 0.00 0.00 175.26 177.26 2k4z h LEU 81 N 7.81 1.03 -8.99 1.83 3.38 -1.85 -3.42 115.31 115.11 2k4z h LEU 81 Ca -0.14 -0.15 -0.68 0.00 0.09 0.00 0.00 57.88 56.99 2k4z h LEU 81 Cb 1.04 -0.27 -0.21 0.00 0.09 0.00 0.00 40.66 41.31 2k4z h LEU 81 CO 0.53 0.91 -0.78 -1.61 0.09 0.00 0.00 178.44 177.57 2k4z s GLU 82 N -5.51 2.22 -0.39 1.13 2.02 -1.25 -5.04 118.70 111.87 2k4z s GLU 82 Ca -0.12 -0.89 -0.29 0.00 0.02 0.00 0.00 54.97 53.69 2k4z s GLU 82 Cb 0.16 -2.27 -0.08 0.00 0.10 0.00 0.00 34.13 32.03 2k4z s GLU 82 CO 0.83 0.56 2.31 -0.35 0.02 0.00 0.00 175.26 178.63 2k4z n PRO 83 N 1.68 1.31 0.00 0.39 -0.04 -1.26 -0.11 135.00 136.98 2k4z n PRO 83 Ca -0.16 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2k4z n PRO 83 Cb 0.52 -2.99 0.00 0.00 -0.04 0.00 0.00 33.50 31.00 2k4z n PRO 83 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k4z n GLY 84 N 6.10 0.63 3.02 0.55 0.00 -1.26 -5.05 105.19 109.18 2k4z n GLY 84 Ca 0.38 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.86 1.64 0.02 1.61 0.74 0.85 -5.09 119.66 118.57 2k4z s GLN 85 Ca 0.00 -2.01 -0.27 0.00 0.05 0.00 0.00 55.36 53.13 2k4z s GLN 85 Cb 0.00 -3.28 -0.04 0.00 1.10 0.00 0.00 33.01 30.78 2k4z s GLN 85 CO 0.00 -0.99 0.84 -0.06 -0.55 0.00 0.00 175.29 174.54 2k4z s PHE 86 N 0.70 3.70 -0.04 1.67 0.08 -1.26 -2.91 117.98 119.92 2k4z s PHE 86 Ca 0.12 1.55 -0.17 0.00 0.12 0.00 0.00 56.93 58.55 2k4z s PHE 86 Cb -0.21 -2.94 0.03 0.00 -0.57 0.00 0.00 43.02 39.34 2k4z s PHE 86 CO -0.06 0.15 0.37 -1.58 -0.10 0.00 0.00 175.22 174.00 2k4z s HIS 87 N 0.42 -0.29 0.01 0.36 5.65 0.16 -4.96 115.29 116.64 2k4z s HIS 87 Ca 0.43 0.53 -0.30 0.00 0.25 0.00 0.00 55.06 55.97 2k4z s HIS 87 Cb -0.21 0.15 -0.04 0.00 -1.18 0.00 0.00 32.58 31.30 2k4z s HIS 87 CO 0.25 -0.38 1.17 -0.06 -0.65 0.00 0.00 174.74 175.06 2k4z s PHE 88 N -1.01 3.37 -0.10 3.88 0.08 -1.26 -2.48 117.98 120.45 2k4z s PHE 88 Ca -0.11 1.32 -0.01 0.00 0.12 0.00 0.00 56.93 58.25 2k4z s PHE 88 Cb -0.04 -3.38 -0.03 0.00 -0.57 0.00 0.00 43.02 39.00 2k4z s PHE 88 CO 0.04 -1.14 -0.06 0.96 -0.10 0.00 0.00 175.22 174.92 2k4z s ILE 89 N 1.52 3.73 -0.44 0.64 -4.36 0.41 -4.97 121.20 117.73 2k4z s ILE 89 Ca 0.57 -0.45 -0.08 0.00 -0.26 0.00 0.00 60.65 60.42 2k4z s ILE 89 Cb -0.26 -2.56 0.10 0.00 1.25 0.00 0.00 42.46 40.99 2k4z s ILE 89 CO 0.26 0.56 0.28 -0.36 0.24 0.00 0.00 174.94 175.93 2k4z s PHE 90 N -0.39 3.41 -1.20 1.37 0.08 -1.26 -1.72 117.98 118.27 2k4z s PHE 90 Ca 0.06 -1.80 -0.14 0.00 0.12 0.00 0.00 56.93 55.16 2k4z s PHE 90 Cb -0.12 -3.21 0.16 0.00 -0.57 0.00 0.00 43.02 39.28 2k4z s PHE 90 CO 0.02 -0.93 1.44 -0.51 -0.10 0.00 0.00 175.22 175.14 2k4z s LEU 91 N 1.36 4.99 -0.22 -0.37 1.43 0.08 -4.80 118.68 121.15 2k4z s LEU 91 Ca 0.05 -2.93 -0.09 0.00 -1.03 0.00 0.00 54.13 50.13 2k4z s LEU 91 Cb -0.24 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 2k4z s LEU 91 CO -0.00 -0.78 0.10 0.20 0.23 0.00 0.00 176.35 176.10 2k4z s ASN 92 N 2.94 5.69 0.00 2.29 -0.87 -1.26 -3.26 114.94 120.46 2k4z s ASN 92 Ca 0.43 0.02 0.04 0.00 -1.57 0.00 0.00 52.86 51.77 2k4z s ASN 92 Cb -0.03 -2.01 0.23 0.00 -0.02 0.00 0.00 41.25 39.43 2k4z s ASN 92 CO 0.00 0.08 0.72 -2.65 -2.57 0.00 0.00 177.10 172.68 2k4z n PRO 93 N 4.18 0.52 0.00 -0.60 -0.02 -1.26 -1.90 135.00 135.91 2k4z n PRO 93 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 2k4z n PRO 93 Cb 0.52 -1.12 0.00 0.00 -0.02 0.00 0.00 33.50 32.88 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 -0.62 5.98 -4.40 -0.52 5.12 -1.26 -5.05 116.66 115.92 2k4z n ARG 94 Ca 0.03 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.62 2k4z n ARG 94 Cb 0.01 -0.48 -0.10 0.00 -1.16 0.00 0.00 32.46 30.74 2k4z n ARG 94 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2k4z s ASP 95 N -0.96 4.95 0.00 0.55 -1.08 -0.80 -5.01 116.67 114.32 2k4z s ASP 95 Ca 0.00 -0.01 0.00 0.00 -0.52 0.00 0.00 52.55 52.02 2k4z s ASP 95 Cb 0.00 -1.27 0.00 0.00 -1.46 0.00 0.00 42.92 40.19 2k4z s ASP 95 CO 0.00 0.31 0.57 -2.65 0.52 0.00 0.00 175.17 173.92 2k4z n PRO 96 N 1.71 0.84 -0.24 4.34 -0.02 -1.26 -4.02 135.00 136.35 2k4z n PRO 96 Ca -0.16 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.36 2k4z n PRO 96 Cb 0.53 -1.28 0.16 0.00 -0.02 0.00 0.00 33.50 32.90 2k4z n PRO 96 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2k4z h THR 97 N 0.00 0.69 -3.46 3.45 2.02 -1.89 -3.35 112.91 110.38 2k4z h THR 97 Ca 0.00 -0.15 -0.57 0.00 0.77 0.00 0.00 66.41 66.46 2k4z h THR 97 Cb 0.28 0.22 -0.39 0.00 -1.74 0.00 0.00 68.15 66.51 2k4z h THR 97 CO 0.00 0.08 -0.78 -0.31 0.37 0.00 0.00 175.52 174.88 2k4z s TYR 98 N -6.04 1.79 -0.26 3.16 2.02 -1.26 -5.10 117.35 111.66 2k4z s TYR 98 Ca -0.13 -1.32 -0.04 0.00 -0.37 0.00 0.00 57.07 55.21 2k4z s TYR 98 Cb 0.20 -1.33 0.09 0.00 -0.40 0.00 0.00 41.96 40.51 2k4z s TYR 98 CO 0.76 -0.69 0.13 0.50 -1.57 0.00 0.00 175.55 174.68 2k4z s ARG 99 N 1.60 0.16 0.30 -0.62 6.06 -1.26 -4.98 118.95 120.21 2k4z s ARG 99 Ca -0.03 -0.37 -0.29 0.00 -2.50 0.00 0.00 55.73 52.54 2k4z s ARG 99 Cb -0.18 -1.31 -0.10 0.00 0.06 0.00 0.00 34.95 33.43 2k4z s ARG 99 CO -0.07 -0.92 1.14 -2.14 -2.50 0.00 0.00 175.30 170.81 2k4z s PRO 100 N 2.13 4.55 -0.40 5.12 0.02 -1.26 -4.95 135.00 140.21 2k4z s PRO 100 Ca 0.07 1.87 -0.27 0.00 0.02 0.00 0.00 61.00 62.70 2k4z s PRO 100 Cb -0.16 -3.13 -0.05 0.00 0.02 0.00 0.00 34.50 31.18 2k4z s PRO 100 CO -0.29 0.11 2.19 -1.25 -0.33 0.00 0.00 177.00 177.43 2k4z s PRO 101 N -1.57 2.66 -0.01 5.54 0.04 -1.26 -4.96 135.00 135.44 2k4z s PRO 101 Ca 0.46 1.49 -0.06 0.00 0.04 0.00 0.00 61.00 62.92 2k4z s PRO 101 Cb -0.33 -4.44 -0.05 0.00 0.04 0.00 0.00 34.50 29.73 2k4z s PRO 101 CO 0.43 -2.65 0.25 0.45 0.04 0.00 0.00 177.00 175.52 2k4z s SER 102 N 9.57 6.48 -0.30 6.66 0.15 -1.26 -5.01 113.70 129.98 2k4z s SER 102 Ca 0.92 0.54 0.10 0.00 0.70 0.00 0.00 55.95 58.20 2k4z s SER 102 Cb -0.22 -2.08 0.47 0.00 -1.71 0.00 0.00 66.02 62.47 2k4z s SER 102 CO 0.29 0.28 1.17 0.61 1.20 0.00 0.00 173.24 176.79 2k4z n GLY 103 N 1.24 5.58 0.00 9.45 0.00 -1.26 -5.32 105.19 114.88 2k4z n GLY 103 Ca -0.12 -2.40 0.00 0.00 0.00 0.00 0.00 46.02 43.49 2k4z n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93