#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bz4 n GLY 23 N 0.00 -0.13 3.78 5.00 0.00 -1.26 -5.01 105.19 107.57 1bz4 n GLY 23 Ca 0.00 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 1bz4 n GLY 23 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bz4 s GLN 24 N -4.87 2.58 0.17 1.61 -1.52 -1.26 -4.83 119.66 111.54 1bz4 s GLN 24 Ca 0.07 1.22 -0.15 0.00 -1.95 0.00 0.00 55.36 54.54 1bz4 s GLN 24 Cb -0.03 -1.93 0.11 0.00 -0.22 0.00 0.00 33.01 30.93 1bz4 s GLN 24 CO 0.08 -1.40 1.71 0.00 -0.25 0.00 0.00 175.29 175.44 1bz4 h ARG 25 N -0.59 0.16 0.00 2.91 3.08 -1.95 -1.75 114.38 116.24 1bz4 h ARG 25 Ca -0.45 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.57 1bz4 h ARG 25 Cb 1.23 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 1bz4 h ARG 25 CO 0.53 0.11 -0.13 0.11 -1.07 0.00 0.00 179.97 179.52 1bz4 h TRP 26 N 0.17 0.00 -0.06 3.04 5.08 -1.90 -1.38 115.95 120.89 1bz4 h TRP 26 Ca 0.19 0.00 -0.20 0.00 1.08 0.00 0.00 58.89 59.97 1bz4 h TRP 26 Cb 0.25 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.41 1bz4 h TRP 26 CO -0.22 0.13 -0.78 0.93 -1.28 0.00 0.00 178.44 177.21 1bz4 h GLU 27 N 0.00 0.43 -0.13 0.12 5.08 -1.72 -1.23 114.58 117.13 1bz4 h GLU 27 Ca -0.00 -0.37 -0.14 0.00 -1.00 0.00 0.00 59.36 57.84 1bz4 h GLU 27 Cb 0.23 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1bz4 h GLU 27 CO 0.02 1.02 -0.53 -0.07 -1.00 0.00 0.00 179.01 178.44 1bz4 h LEU 28 N 0.28 0.40 -0.18 1.33 3.38 -0.75 0.83 115.31 120.59 1bz4 h LEU 28 Ca -0.04 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 1bz4 h LEU 28 Cb 1.38 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 1bz4 h LEU 28 CO 0.14 0.85 -0.05 0.00 0.09 0.00 0.00 178.44 179.47 1bz4 h ALA 29 N 1.16 0.25 -0.42 1.53 0.00 -1.16 -1.96 119.26 118.66 1bz4 h ALA 29 Ca 0.01 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1bz4 h ALA 29 Cb 1.03 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1bz4 h ALA 29 CO 0.09 0.04 0.10 1.25 0.00 0.00 0.00 179.25 180.72 1bz4 h LEU 30 N 0.07 0.58 -1.16 0.00 5.85 -1.08 -1.84 115.31 117.73 1bz4 h LEU 30 Ca 0.05 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1bz4 h LEU 30 Cb 0.50 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1bz4 h LEU 30 CO 0.02 0.58 0.46 1.23 -0.34 0.00 0.00 178.44 180.39 1bz4 h GLY 31 N 0.84 1.10 1.65 3.75 0.00 -0.51 0.23 103.07 110.13 1bz4 h GLY 31 Ca 0.14 -0.45 -0.16 0.00 0.00 0.00 0.00 47.33 46.85 1bz4 h GLY 31 CO -0.00 0.44 -0.65 3.21 0.00 0.00 0.00 176.54 179.54 1bz4 h ARG 32 N 1.05 0.36 -0.29 4.80 3.08 -0.59 0.28 114.38 123.07 1bz4 h ARG 32 Ca 0.27 -0.26 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 1bz4 h ARG 32 Cb -0.04 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1bz4 h ARG 32 CO -0.05 0.88 0.00 0.35 -1.07 0.00 0.00 179.97 180.08 1bz4 h PHE 33 N 0.26 0.56 -0.66 3.04 3.04 -0.60 -2.28 116.94 120.30 1bz4 h PHE 33 Ca -0.01 -0.10 -0.01 0.00 3.98 0.00 0.00 57.97 61.83 1bz4 h PHE 33 Cb 1.19 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 39.52 1bz4 h PHE 33 CO 0.03 0.65 0.36 2.35 -2.02 0.00 0.00 178.31 179.69 1bz4 h TRP 34 N 0.30 0.91 -0.56 0.41 2.91 -0.44 -0.96 115.95 118.53 1bz4 h TRP 34 Ca 0.08 -0.02 -0.07 0.00 1.13 0.00 0.00 58.89 60.01 1bz4 h TRP 34 Cb 0.42 -0.29 -0.02 0.00 -0.51 0.00 0.00 29.16 28.76 1bz4 h TRP 34 CO 0.03 0.65 0.08 -0.44 -1.03 0.00 0.00 178.44 177.73 1bz4 h ASP 35 N 0.90 0.90 -0.41 2.65 5.19 -0.88 -0.57 116.42 124.20 1bz4 h ASP 35 Ca 0.23 -0.27 -0.02 0.00 -0.62 0.00 0.00 57.03 56.35 1bz4 h ASP 35 Cb 0.04 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.29 1bz4 h ASP 35 CO -0.04 0.94 0.16 0.22 -3.12 0.00 0.00 179.24 177.40 1bz4 h TYR 36 N 0.82 0.63 -0.30 4.55 5.03 -1.20 -2.05 116.97 124.44 1bz4 h TYR 36 Ca 0.17 -0.05 -0.06 0.00 2.58 0.00 0.00 58.73 61.37 1bz4 h TYR 36 Cb 0.43 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 38.51 1bz4 h TYR 36 CO 0.03 0.56 -0.05 1.25 -1.32 0.00 0.00 178.16 178.63 1bz4 h LEU 37 N 0.52 0.46 -0.97 2.82 5.85 -0.96 -1.27 115.31 121.76 1bz4 h LEU 37 Ca 0.14 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 1bz4 h LEU 37 Cb 0.20 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1bz4 h LEU 37 CO -0.01 0.56 0.09 -0.09 -0.34 0.00 0.00 178.44 178.65 1bz4 h ARG 38 N 0.46 0.84 -0.25 1.25 2.43 -0.72 -0.67 114.38 117.71 1bz4 h ARG 38 Ca 0.10 -0.19 -0.05 0.00 -0.81 0.00 0.00 59.98 59.03 1bz4 h ARG 38 Cb 0.38 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1bz4 h ARG 38 CO 0.02 0.78 -0.02 2.35 -1.51 0.00 0.00 179.97 181.59 1bz4 h TRP 39 N 0.80 0.51 -0.82 2.20 7.01 -0.65 -2.75 115.95 122.26 1bz4 h TRP 39 Ca 0.17 -0.10 0.05 0.00 2.11 0.00 0.00 58.89 61.12 1bz4 h TRP 39 Cb 0.35 -0.13 -0.05 0.00 -2.10 0.00 0.00 29.16 27.23 1bz4 h TRP 39 CO 0.02 0.65 0.54 0.28 -2.79 0.00 0.00 178.44 177.13 1bz4 h VAL 40 N 0.23 1.09 -0.48 2.65 2.07 -0.86 -1.55 116.25 119.39 1bz4 h VAL 40 Ca 0.07 -0.33 0.10 0.00 0.82 0.00 0.00 66.70 67.36 1bz4 h VAL 40 Cb 0.46 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1bz4 h VAL 40 CO 0.02 0.17 0.33 -0.61 0.02 0.00 0.00 177.57 177.50 1bz4 h GLN 41 N 0.96 0.22 0.00 1.57 5.75 -0.82 -0.79 115.11 121.99 1bz4 h GLN 41 Ca 0.34 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.79 1bz4 h GLN 41 Cb 0.13 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 28.62 1bz4 h GLN 41 CO -0.11 0.14 -0.16 1.79 -2.65 0.00 0.00 178.83 177.85 1bz4 h THR 42 N 0.22 0.87 -6.24 2.39 1.35 -1.25 -3.46 112.91 106.78 1bz4 h THR 42 Ca 0.22 -0.59 -0.46 0.00 -0.55 0.00 0.00 66.41 65.03 1bz4 h THR 42 Cb 0.59 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 68.34 1bz4 h THR 42 CO -0.04 0.15 -0.76 0.18 -0.25 0.00 0.00 175.52 174.80 1bz4 n LEU 43 N -3.99 -2.69 -4.58 3.87 4.77 -0.30 -4.96 117.00 109.12 1bz4 n LEU 43 Ca -0.02 -0.76 -0.30 0.00 -0.03 0.00 0.00 56.01 54.90 1bz4 n LEU 43 Cb 0.24 -2.61 0.23 0.00 -2.33 0.00 0.00 43.42 38.95 1bz4 n LEU 43 CO 0.33 0.48 0.60 -0.94 -1.33 0.00 0.00 177.39 176.53 1bz4 s SER 44 N -3.43 1.10 0.15 -1.43 1.04 -1.26 -4.60 113.70 105.27 1bz4 s SER 44 Ca 0.58 0.83 -0.18 0.00 0.48 0.00 0.00 55.95 57.67 1bz4 s SER 44 Cb -0.29 -1.23 0.05 0.00 0.10 0.00 0.00 66.02 64.65 1bz4 s SER 44 CO 0.82 -4.04 1.70 -0.33 0.98 0.00 0.00 173.24 172.37 1bz4 h GLU 45 N -2.52 0.05 -0.34 4.02 4.39 -1.99 -0.21 114.58 117.99 1bz4 h GLU 45 Ca -0.48 -0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.15 1bz4 h GLU 45 Cb 1.31 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.93 1bz4 h GLU 45 CO 0.40 0.03 -0.08 0.37 -1.16 0.00 0.00 179.01 178.57 1bz4 h GLN 46 N 0.05 0.56 -0.18 2.33 5.75 -1.99 -1.63 115.11 119.99 1bz4 h GLN 46 Ca 0.15 -0.15 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 1bz4 h GLN 46 Cb 0.22 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 1bz4 h GLN 46 CO -0.29 0.64 0.04 0.28 -2.65 0.00 0.00 178.83 176.86 1bz4 h VAL 47 N 0.52 1.21 -0.64 2.39 2.07 -1.71 -1.44 116.25 118.65 1bz4 h VAL 47 Ca 0.10 -0.67 0.07 0.00 0.82 0.00 0.00 66.70 67.02 1bz4 h VAL 47 Cb 0.46 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 1bz4 h VAL 47 CO 0.02 0.21 0.42 1.56 0.02 0.00 0.00 177.57 179.80 1bz4 h GLN 48 N 0.10 0.57 0.20 1.57 4.20 -0.78 0.13 115.11 121.10 1bz4 h GLN 48 Ca 0.06 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1bz4 h GLN 48 Cb 0.28 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1bz4 h GLN 48 CO 0.00 0.38 -0.09 1.49 -0.67 0.00 0.00 178.83 179.94 1bz4 h GLU 49 N 0.59 -0.25 0.00 1.46 4.57 -0.99 -3.16 114.58 116.80 1bz4 h GLU 49 Ca 0.28 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.48 1bz4 h GLU 49 Cb 0.34 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 1bz4 h GLU 49 CO -0.09 0.11 0.00 0.93 -1.18 0.00 0.00 179.01 178.78 1bz4 h GLU 50 N -0.68 0.00 0.00 1.92 5.08 -0.66 -2.69 114.58 117.55 1bz4 h GLU 50 Ca -0.03 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1bz4 h GLU 50 Cb 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1bz4 h GLU 50 CO 0.04 0.00 -0.49 -0.07 -1.00 0.00 0.00 179.01 177.49 1bz4 h LEU 51 N 0.00 0.00 0.00 1.33 3.38 -0.73 -3.13 115.31 116.16 1bz4 h LEU 51 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1bz4 h LEU 51 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1bz4 h LEU 51 CO 0.00 0.49 -0.31 -0.07 0.09 0.00 0.00 178.44 178.64 1bz4 h LEU 52 N 0.00 0.00 0.00 1.67 3.38 -1.49 -3.43 115.31 115.44 1bz4 h LEU 52 Ca -0.00 -0.07 -0.38 0.00 0.09 0.00 0.00 57.88 57.52 1bz4 h LEU 52 Cb 1.18 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.96 1bz4 h LEU 52 CO 0.06 0.03 -0.05 -1.54 0.09 0.00 0.00 178.44 177.03 1bz4 n SER 53 N -2.42 1.65 -1.59 -0.43 3.41 -1.19 -5.01 113.62 108.04 1bz4 n SER 53 Ca 0.04 -2.20 0.02 0.00 -0.26 0.00 0.00 58.87 56.47 1bz4 n SER 53 Cb 0.47 -0.33 0.31 0.00 -0.26 0.00 0.00 64.21 64.40 1bz4 n SER 53 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1bz4 n SER 54 N -2.48 4.60 -0.18 4.04 3.41 -1.26 -4.58 113.62 117.18 1bz4 n SER 54 Ca 0.13 -3.14 -0.08 0.00 -0.26 0.00 0.00 58.87 55.51 1bz4 n SER 54 Cb 0.47 -0.67 0.01 0.00 -0.26 0.00 0.00 64.21 63.77 1bz4 n SER 54 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1bz4 h GLN 55 N 2.61 0.75 -0.31 4.33 4.15 -1.91 -0.77 115.11 123.96 1bz4 h GLN 55 Ca 0.12 -0.12 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 1bz4 h GLN 55 Cb 1.94 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 29.49 1bz4 h GLN 55 CO 0.50 0.64 0.07 0.28 -1.93 0.00 0.00 178.83 178.39 1bz4 h VAL 56 N 0.69 1.22 -0.06 2.39 2.07 -1.79 -0.83 116.25 119.93 1bz4 h VAL 56 Ca 0.17 -0.75 -0.11 0.00 0.82 0.00 0.00 66.70 66.83 1bz4 h VAL 56 Cb 0.15 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1bz4 h VAL 56 CO -0.02 0.25 -0.47 0.71 0.02 0.00 0.00 177.57 178.06 1bz4 h THR 57 N 0.35 1.34 -0.12 2.57 1.35 -1.85 -0.61 112.91 115.94 1bz4 h THR 57 Ca 0.10 -1.65 -0.06 0.00 -0.55 0.00 0.00 66.41 64.25 1bz4 h THR 57 Cb 0.30 1.82 -0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1bz4 h THR 57 CO 0.00 0.48 -0.15 1.56 -0.25 0.00 0.00 175.52 177.17 1bz4 h GLN 58 N 0.12 0.31 0.00 4.72 4.20 -1.01 -0.81 115.11 122.65 1bz4 h GLN 58 Ca 0.01 -0.17 -0.09 0.00 0.06 0.00 0.00 58.65 58.45 1bz4 h GLN 58 Cb 0.88 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 1bz4 h GLN 58 CO 0.07 0.73 -0.44 0.93 -0.67 0.00 0.00 178.83 179.45 1bz4 h GLU 59 N -0.10 0.00 -0.03 1.46 5.08 -1.09 -2.39 114.58 117.51 1bz4 h GLU 59 Ca 0.02 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.16 1bz4 h GLU 59 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1bz4 h GLU 59 CO 0.03 0.44 -0.88 -0.07 -1.00 0.00 0.00 179.01 177.54 1bz4 h LEU 60 N 0.00 0.57 -0.57 1.33 3.38 -1.05 -2.63 115.31 116.34 1bz4 h LEU 60 Ca -0.00 -0.43 -0.14 0.00 0.09 0.00 0.00 57.88 57.39 1bz4 h LEU 60 Cb 0.79 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1bz4 h LEU 60 CO 0.06 1.21 -0.41 -0.09 0.09 0.00 0.00 178.44 179.30 1bz4 h ARG 61 N 0.28 0.69 -0.65 1.13 2.43 -0.97 -0.96 114.38 116.32 1bz4 h ARG 61 Ca -0.07 -0.36 -0.01 0.00 -0.81 0.00 0.00 59.98 58.74 1bz4 h ARG 61 Cb 1.50 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 31.03 1bz4 h ARG 61 CO 0.15 0.97 0.37 0.00 -1.51 0.00 0.00 179.97 179.96 1bz4 h ALA 62 N 0.98 0.83 -0.13 2.80 0.00 -1.43 0.21 119.26 122.53 1bz4 h ALA 62 Ca 0.04 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1bz4 h ALA 62 Cb 0.95 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1bz4 h ALA 62 CO 0.09 0.33 -0.35 -0.07 0.00 0.00 0.00 179.25 179.24 1bz4 h LEU 63 N 0.88 0.27 -0.22 0.00 3.38 -1.28 -1.74 115.31 116.61 1bz4 h LEU 63 Ca 0.23 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 1bz4 h LEU 63 Cb 0.01 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1bz4 h LEU 63 CO -0.04 0.61 -0.28 -0.03 0.09 0.00 0.00 178.44 178.79 1bz4 h MET 64 N 0.23 0.57 -0.42 1.13 4.05 -0.47 -2.46 114.93 117.56 1bz4 h MET 64 Ca 0.03 -0.32 0.00 0.00 -0.28 0.00 0.00 59.70 59.13 1bz4 h MET 64 Cb 0.73 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.53 1bz4 h MET 64 CO 0.06 0.92 0.28 -0.44 0.23 0.00 0.00 176.91 177.95 1bz4 h ASP 65 N 0.25 0.49 -0.70 1.39 3.32 -0.39 -1.64 116.42 119.14 1bz4 h ASP 65 Ca 0.03 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 1bz4 h ASP 65 Cb 0.85 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.24 1bz4 h ASP 65 CO 0.07 0.36 0.33 -0.08 -1.72 0.00 0.00 179.24 178.19 1bz4 h GLU 66 N 0.57 1.03 -0.24 3.56 4.81 -1.32 -0.47 114.58 122.52 1bz4 h GLU 66 Ca 0.15 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1bz4 h GLU 66 Cb -0.06 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 1bz4 h GLU 66 CO -0.03 0.81 0.07 1.15 -0.73 0.00 0.00 179.01 180.28 1bz4 h THR 67 N 1.02 1.19 -0.44 0.32 2.02 -0.97 -1.54 112.91 114.52 1bz4 h THR 67 Ca 0.25 -0.61 -0.09 0.00 0.77 0.00 0.00 66.41 66.73 1bz4 h THR 67 Cb 0.13 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 1bz4 h THR 67 CO -0.03 0.20 -0.09 0.24 0.37 0.00 0.00 175.52 176.21 1bz4 h MET 68 N 0.22 0.77 0.00 6.66 2.86 -1.12 -0.24 114.93 124.08 1bz4 h MET 68 Ca 0.08 -0.25 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1bz4 h MET 68 Cb 0.24 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.83 1bz4 h MET 68 CO -0.00 0.84 -0.00 -0.22 1.06 0.00 0.00 176.91 178.58 1bz4 h LYS 69 N 0.70 -0.00 -0.18 1.72 3.64 -0.91 -1.28 116.57 120.25 1bz4 h LYS 69 Ca 0.12 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.41 1bz4 h LYS 69 Cb 0.56 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1bz4 h LYS 69 CO 0.03 0.05 -0.30 0.93 -2.27 0.00 0.00 179.45 177.90 1bz4 h GLU 70 N -0.06 0.35 -0.38 1.90 4.39 -1.15 -2.34 114.58 117.30 1bz4 h GLU 70 Ca -0.00 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 1bz4 h GLU 70 Cb 0.05 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1bz4 h GLU 70 CO 0.00 0.62 0.19 1.25 -1.16 0.00 0.00 179.01 179.91 1bz4 h LEU 71 N 0.31 0.48 -0.61 1.33 5.85 -0.69 -0.34 115.31 121.64 1bz4 h LEU 71 Ca 0.04 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 1bz4 h LEU 71 Cb 0.68 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1bz4 h LEU 71 CO 0.05 0.45 0.15 0.50 -0.34 0.00 0.00 178.44 179.25 1bz4 h LYS 72 N 0.47 0.98 -0.35 1.25 3.64 -1.06 -1.72 116.57 119.77 1bz4 h LYS 72 Ca 0.13 -0.24 -0.09 0.00 -1.27 0.00 0.00 60.65 59.18 1bz4 h LYS 72 Cb 0.09 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1bz4 h LYS 72 CO -0.02 0.90 -0.15 0.00 -2.27 0.00 0.00 179.45 177.91 1bz4 h ALA 73 N 1.04 1.07 -0.29 5.00 0.00 -1.21 -2.28 119.26 122.60 1bz4 h ALA 73 Ca 0.19 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1bz4 h ALA 73 Cb 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1bz4 h ALA 73 CO 0.00 0.57 -0.05 -0.92 0.00 0.00 0.00 179.25 178.85 1bz4 h TYR 74 N 0.58 0.61 -0.39 0.00 3.20 -0.76 -2.18 116.97 118.02 1bz4 h TYR 74 Ca 0.10 -0.12 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 1bz4 h TYR 74 Cb 0.59 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1bz4 h TYR 74 CO 0.03 0.73 0.24 -0.22 -1.64 0.00 0.00 178.16 177.29 1bz4 h LYS 75 N 0.31 0.54 -0.80 1.82 3.64 -1.22 -0.97 116.57 119.90 1bz4 h LYS 75 Ca 0.08 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1bz4 h LYS 75 Cb 0.52 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 1bz4 h LYS 75 CO 0.02 0.40 0.53 1.03 -2.27 0.00 0.00 179.45 179.16 1bz4 h SER 76 N 0.52 0.85 0.31 4.20 0.87 -1.33 -2.22 113.55 116.75 1bz4 h SER 76 Ca 0.14 -0.01 -0.21 0.00 -1.23 0.00 0.00 61.79 60.48 1bz4 h SER 76 Cb 0.00 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 61.77 1bz4 h SER 76 CO -0.03 0.59 -0.85 -0.33 -0.53 0.00 0.00 176.83 175.68 1bz4 h GLU 77 N 0.99 0.41 -0.50 2.24 5.08 -1.00 -3.15 114.58 118.65 1bz4 h GLU 77 Ca 0.32 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1bz4 h GLU 77 Cb 0.03 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1bz4 h GLU 77 CO -0.09 1.05 0.25 -0.07 -1.00 0.00 0.00 179.01 179.14 1bz4 h LEU 78 N 0.25 0.61 0.00 1.33 3.38 -0.63 -2.22 115.31 118.04 1bz4 h LEU 78 Ca -0.06 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1bz4 h LEU 78 Cb 1.46 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1bz4 h LEU 78 CO 0.15 0.52 0.00 -0.62 0.09 0.00 0.00 178.44 178.57 1bz4 n GLU 79 N -4.39 0.45 0.09 1.13 1.02 -0.89 -2.05 120.64 116.01 1bz4 n GLU 79 Ca 0.04 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.30 1bz4 n GLU 79 Cb 0.12 -1.43 0.04 0.00 -0.02 0.00 0.00 31.44 30.14 1bz4 n GLU 79 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1bz4 n GLU 80 N -0.93 0.52 -3.01 3.49 -0.58 -0.83 -4.35 120.64 114.95 1bz4 n GLU 80 Ca 0.09 0.10 -0.22 0.00 -0.42 0.00 0.00 57.16 56.72 1bz4 n GLU 80 Cb 0.04 -1.78 -0.03 0.00 -0.57 0.00 0.00 31.44 29.10 1bz4 n GLU 80 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1bz4 n GLN 81 N -2.50 2.18 -3.73 3.49 1.13 -0.87 -5.10 117.38 111.98 1bz4 n GLN 81 Ca 0.01 -4.13 -0.30 0.00 -1.94 0.00 0.00 57.00 50.63 1bz4 n GLN 81 Cb 0.52 -1.96 -0.04 0.00 0.11 0.00 0.00 30.24 28.86 1bz4 n GLN 81 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1bz4 s LEU 82 N -3.02 4.28 -0.09 1.08 1.43 -1.26 -4.89 118.68 116.21 1bz4 s LEU 82 Ca 0.44 0.47 -0.24 0.00 -1.03 0.00 0.00 54.13 53.78 1bz4 s LEU 82 Cb 0.33 -3.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.31 1bz4 s LEU 82 CO -0.11 0.06 0.73 -0.89 0.23 0.00 0.00 176.35 176.37 1bz4 s THR 83 N -1.67 5.01 -0.02 5.49 2.01 0.44 -5.01 115.64 121.88 1bz4 s THR 83 Ca 0.39 1.48 -0.30 0.00 0.31 0.00 0.00 61.69 63.57 1bz4 s THR 83 Cb -0.12 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.28 1bz4 s THR 83 CO 0.26 0.19 1.45 -2.84 -0.69 0.00 0.00 174.62 173.00 1bz4 s PRO 84 N 1.16 4.25 0.38 4.92 0.02 -1.26 -4.60 135.00 139.87 1bz4 s PRO 84 Ca 0.37 2.00 0.04 0.00 0.02 0.00 0.00 61.00 63.44 1bz4 s PRO 84 Cb -0.17 -3.67 -0.03 0.00 0.02 0.00 0.00 34.50 30.64 1bz4 s PRO 84 CO 0.17 -0.65 0.16 0.14 -0.33 0.00 0.00 177.00 176.48 1bz4 s VAL 85 N 2.85 0.47 0.29 3.83 -7.23 -1.26 -5.08 120.40 114.26 1bz4 s VAL 85 Ca 0.65 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.52 1bz4 s VAL 85 Cb -0.31 -2.39 -0.12 0.00 0.56 0.00 0.00 36.38 34.11 1bz4 s VAL 85 CO 0.26 0.00 1.48 0.00 -0.31 0.00 0.00 175.10 176.53 1bz4 n ALA 86 N -0.82 1.84 -0.36 1.32 0.00 -1.26 -4.77 120.51 116.45 1bz4 n ALA 86 Ca -0.03 0.38 0.27 0.00 0.00 0.00 0.00 53.44 54.07 1bz4 n ALA 86 Cb 0.64 -2.36 0.54 0.00 0.00 0.00 0.00 19.45 18.27 1bz4 n ALA 86 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1bz4 h GLU 87 N 4.15 0.28 -0.18 0.00 4.22 -1.99 -0.86 114.58 120.20 1bz4 h GLU 87 Ca -0.46 -0.02 -0.03 0.00 0.08 0.00 0.00 59.36 58.93 1bz4 h GLU 87 Cb 1.25 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1bz4 h GLU 87 CO 0.75 0.19 -0.01 1.05 -2.18 0.00 0.00 179.01 178.80 1bz4 h GLU 88 N 0.29 0.32 0.00 1.92 -0.00 -1.98 0.12 114.58 115.25 1bz4 h GLU 88 Ca 0.70 -0.11 -0.11 0.00 -0.00 0.00 0.00 59.36 59.84 1bz4 h GLU 88 Cb 1.87 -0.03 -0.02 0.00 -0.00 0.00 0.00 28.75 30.58 1bz4 h GLU 88 CO -0.41 0.55 -0.52 1.79 -0.00 0.00 0.00 179.01 180.42 1bz4 h THR 89 N 0.06 1.15 -0.11 -1.06 1.35 -1.57 -1.01 112.91 111.72 1bz4 h THR 89 Ca 0.05 -1.95 -0.09 0.00 -0.55 0.00 0.00 66.41 63.87 1bz4 h THR 89 Cb 0.41 2.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 1bz4 h THR 89 CO 0.01 0.51 -0.29 -0.09 -0.25 0.00 0.00 175.52 175.42 1bz4 h ARG 90 N 0.00 0.40 -0.50 4.72 9.65 -1.14 -1.83 114.38 125.67 1bz4 h ARG 90 Ca -0.01 -0.27 0.02 0.00 -1.10 0.00 0.00 59.98 58.62 1bz4 h ARG 90 Cb 1.08 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.67 1bz4 h ARG 90 CO 0.07 0.89 0.33 0.00 2.80 0.00 0.00 179.97 184.06 1bz4 h ALA 91 N 0.51 1.72 -0.11 2.80 0.00 -0.63 -1.53 119.26 122.02 1bz4 h ALA 91 Ca -0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1bz4 h ALA 91 Cb 0.90 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1bz4 h ALA 91 CO 0.06 0.23 -0.51 -0.09 0.00 0.00 0.00 179.25 178.95 1bz4 h ARG 92 N 0.60 0.54 -0.24 0.00 2.43 -1.10 -2.58 114.38 114.04 1bz4 h ARG 92 Ca 0.20 -0.43 -0.05 0.00 -0.81 0.00 0.00 59.98 58.88 1bz4 h ARG 92 Cb 0.04 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1bz4 h ARG 92 CO -0.05 1.06 -0.07 -0.07 -1.51 0.00 0.00 179.97 179.33 1bz4 h LEU 93 N 0.16 0.35 -0.65 3.80 3.38 -0.95 0.13 115.31 121.53 1bz4 h LEU 93 Ca -0.03 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 1bz4 h LEU 93 Cb 1.15 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1bz4 h LEU 93 CO 0.11 0.46 -0.67 -1.28 0.09 0.00 0.00 178.44 177.15 1bz4 h SER 94 N 0.35 0.02 0.24 -0.43 0.87 -1.30 0.42 113.55 113.73 1bz4 h SER 94 Ca 0.07 -0.01 -0.27 0.00 -1.23 0.00 0.00 61.79 60.35 1bz4 h SER 94 Cb 0.35 -0.01 0.02 0.00 -0.44 0.00 0.00 62.40 62.32 1bz4 h SER 94 CO 0.02 0.69 -1.15 0.50 -0.53 0.00 0.00 176.83 176.36 1bz4 h LYS 95 N 0.01 0.53 -0.41 2.24 3.64 -0.97 -2.12 116.57 119.49 1bz4 h LYS 95 Ca -0.01 -0.67 -0.12 0.00 -1.27 0.00 0.00 60.65 58.58 1bz4 h LYS 95 Cb 1.19 0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 33.22 1bz4 h LYS 95 CO 0.09 1.28 -0.22 0.93 -2.27 0.00 0.00 179.45 179.26 1bz4 h GLU 96 N 0.25 0.87 -0.62 1.90 5.08 -0.66 -2.05 114.58 119.35 1bz4 h GLU 96 Ca -0.15 -0.39 -0.08 0.00 -1.00 0.00 0.00 59.36 57.74 1bz4 h GLU 96 Cb 1.81 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 31.02 1bz4 h GLU 96 CO 0.21 1.03 0.06 1.25 -1.00 0.00 0.00 179.01 180.56 1bz4 h LEU 97 N 0.69 1.02 -1.11 1.33 5.85 -0.94 -2.35 115.31 119.80 1bz4 h LEU 97 Ca 0.09 -0.26 -0.08 0.00 0.84 0.00 0.00 57.88 58.47 1bz4 h LEU 97 Cb 0.78 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1bz4 h LEU 97 CO 0.06 1.03 -0.24 1.56 -0.34 0.00 0.00 178.44 180.52 1bz4 h GLN 98 N 0.98 0.33 -0.33 1.25 1.08 -1.26 -2.23 115.11 114.93 1bz4 h GLN 98 Ca 0.19 -0.11 -0.18 0.00 -1.45 0.00 0.00 58.65 57.10 1bz4 h GLN 98 Cb 0.48 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.88 1bz4 h GLN 98 CO 0.02 0.56 -0.48 0.00 -0.95 0.00 0.00 178.83 177.97 1bz4 h ALA 99 N 1.45 0.51 -0.33 3.87 0.00 -1.08 -1.89 119.26 121.80 1bz4 h ALA 99 Ca 0.05 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 1bz4 h ALA 99 Cb 0.59 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1bz4 h ALA 99 CO 0.04 0.68 -0.05 0.00 0.00 0.00 0.00 179.25 179.93 1bz4 h ALA 100 N 0.72 1.32 -0.13 0.00 0.00 -1.22 -1.40 119.26 118.54 1bz4 h ALA 100 Ca 0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1bz4 h ALA 100 Cb 1.09 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1bz4 h ALA 100 CO 0.11 0.46 -0.00 0.37 0.00 0.00 0.00 179.25 180.19 1bz4 h GLN 101 N 0.49 0.24 -0.88 0.00 4.15 -1.25 -2.80 115.11 115.07 1bz4 h GLN 101 Ca 0.10 -0.08 0.05 0.00 0.77 0.00 0.00 58.65 59.50 1bz4 h GLN 101 Cb 0.39 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.00 1bz4 h GLN 101 CO 0.02 0.48 0.56 0.00 -1.93 0.00 0.00 178.83 177.95 1bz4 h ALA 102 N 0.75 1.20 -0.54 3.38 0.00 -1.00 -2.15 119.26 120.89 1bz4 h ALA 102 Ca 0.04 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1bz4 h ALA 102 Cb 0.37 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1bz4 h ALA 102 CO 0.01 0.35 0.28 -0.09 0.00 0.00 0.00 179.25 179.80 1bz4 h ARG 103 N 1.05 0.53 -0.19 0.00 2.43 -1.14 -0.18 114.38 116.88 1bz4 h ARG 103 Ca 0.37 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 1bz4 h ARG 103 Cb 0.11 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1bz4 h ARG 103 CO -0.15 0.35 0.13 1.25 -1.51 0.00 0.00 179.97 180.04 1bz4 h LEU 104 N 0.55 0.22 -0.63 3.80 5.85 -1.14 0.94 115.31 124.90 1bz4 h LEU 104 Ca 0.23 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1bz4 h LEU 104 Cb 0.13 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1bz4 h LEU 104 CO -0.15 0.17 0.38 1.23 -0.34 0.00 0.00 178.44 179.72 1bz4 h GLY 105 N 0.26 0.91 1.50 3.75 0.00 -1.07 -1.87 103.07 106.54 1bz4 h GLY 105 Ca 0.07 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 1bz4 h GLY 105 CO -0.01 0.37 0.03 0.00 0.00 0.00 0.00 176.54 176.92 1bz4 h ALA 106 N 1.19 1.30 -0.10 3.60 0.00 -0.72 -0.74 119.26 123.80 1bz4 h ALA 106 Ca 0.23 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1bz4 h ALA 106 Cb -0.03 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1bz4 h ALA 106 CO -0.04 0.48 0.04 -0.44 0.00 0.00 0.00 179.25 179.29 1bz4 h ASP 107 N 0.60 0.13 -0.23 0.00 3.32 -0.31 0.02 116.42 119.95 1bz4 h ASP 107 Ca 0.13 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 1bz4 h ASP 107 Cb 0.34 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1bz4 h ASP 107 CO 0.01 0.26 0.01 0.24 -1.72 0.00 0.00 179.24 178.04 1bz4 h MET 108 N -0.00 0.52 -0.44 3.56 2.86 -1.06 -2.01 114.93 118.35 1bz4 h MET 108 Ca 0.03 -0.11 -0.14 0.00 -2.06 0.00 0.00 59.70 57.43 1bz4 h MET 108 Cb 0.17 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1bz4 h MET 108 CO -0.00 0.54 -0.27 1.49 1.06 0.00 0.00 176.91 179.73 1bz4 h GLU 109 N 0.50 0.96 -0.72 1.72 4.57 -0.89 -2.53 114.58 118.20 1bz4 h GLU 109 Ca 0.11 -0.44 -0.02 0.00 -1.18 0.00 0.00 59.36 57.82 1bz4 h GLU 109 Cb 0.31 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.85 1bz4 h GLU 109 CO 0.01 1.11 0.35 -0.44 -1.18 0.00 0.00 179.01 178.86 1bz4 h ASP 110 N 0.80 0.92 0.23 1.04 3.32 -0.42 -0.15 116.42 122.17 1bz4 h ASP 110 Ca 0.09 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1bz4 h ASP 110 Cb 0.85 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1bz4 h ASP 110 CO 0.08 0.78 -0.11 0.58 -1.72 0.00 0.00 179.24 178.84 1bz4 h VAL 111 N 1.02 0.84 -0.94 -1.35 2.07 -1.25 -1.23 116.25 115.41 1bz4 h VAL 111 Ca 0.25 -0.45 0.12 0.00 0.82 0.00 0.00 66.70 67.44 1bz4 h VAL 111 Cb 0.09 1.10 -0.08 0.00 -1.52 0.00 0.00 31.29 30.88 1bz4 h VAL 111 CO -0.03 0.10 0.57 0.00 0.02 0.00 0.00 177.57 178.23 1bz4 h GLY 113 N 0.91 0.76 1.80 0.00 0.00 -0.83 -1.96 103.07 103.75 1bz4 h GLY 113 Ca 0.47 -0.57 -0.11 0.00 0.00 0.00 0.00 47.33 47.13 1bz4 h GLY 113 CO -0.27 0.52 -0.41 -0.09 0.00 0.00 0.00 176.54 176.29 1bz4 h ARG 114 N 0.63 0.22 0.00 4.80 9.65 -0.14 -2.17 114.38 127.38 1bz4 h ARG 114 Ca 0.11 -0.10 -0.12 0.00 -1.10 0.00 0.00 59.98 58.77 1bz4 h ARG 114 Cb 0.59 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.15 1bz4 h ARG 114 CO 0.04 0.60 -0.55 -0.07 2.80 0.00 0.00 179.97 182.79 1bz4 h LEU 115 N 0.19 0.00 -0.25 3.80 3.38 -1.00 -2.58 115.31 118.84 1bz4 h LEU 115 Ca 0.02 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.78 1bz4 h LEU 115 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1bz4 h LEU 115 CO 0.06 0.55 -0.70 0.58 0.09 0.00 0.00 178.44 179.02 1bz4 h VAL 116 N 0.00 1.29 -0.91 1.22 2.07 -0.99 -2.80 116.25 116.13 1bz4 h VAL 116 Ca -0.01 -1.93 0.01 0.00 0.82 0.00 0.00 66.70 65.60 1bz4 h VAL 116 Cb 1.13 1.90 -0.05 0.00 -1.52 0.00 0.00 31.29 32.75 1bz4 h VAL 116 CO 0.07 0.61 0.61 -0.61 0.02 0.00 0.00 177.57 178.27 1bz4 h GLN 117 N 0.53 1.20 -0.02 1.57 4.15 -1.24 -2.57 115.11 118.73 1bz4 h GLN 117 Ca -0.03 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.32 1bz4 h GLN 117 Cb 1.32 -0.27 -0.00 0.00 0.21 0.00 0.00 27.48 28.73 1bz4 h GLN 117 CO 0.14 0.79 0.01 -0.92 -1.93 0.00 0.00 178.83 176.93 1bz4 h TYR 118 N 1.23 0.03 -0.70 3.99 3.20 -1.36 0.02 116.97 123.38 1bz4 h TYR 118 Ca 0.34 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.35 1bz4 h TYR 118 Cb -0.14 -0.01 -0.10 0.00 1.54 0.00 0.00 36.73 38.03 1bz4 h TYR 118 CO -0.00 0.11 0.18 -0.09 -1.64 0.00 0.00 178.16 176.72 1bz4 h ARG 119 N -0.06 0.29 -0.20 1.82 2.43 -1.22 0.23 114.38 117.67 1bz4 h ARG 119 Ca 0.01 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 58.99 1bz4 h ARG 119 Cb 0.09 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1bz4 h ARG 119 CO -0.00 0.19 -0.59 0.78 -1.51 0.00 0.00 179.97 178.84 1bz4 h GLY 120 N 0.30 0.70 1.57 2.80 0.00 -1.18 -2.56 103.07 104.70 1bz4 h GLY 120 Ca 0.39 -0.84 -0.09 0.00 0.00 0.00 0.00 47.33 46.79 1bz4 h GLY 120 CO -0.46 0.75 -0.19 0.83 0.00 0.00 0.00 176.54 177.48 1bz4 h GLU 121 N 0.48 0.50 -0.14 4.80 5.08 0.14 -1.51 114.58 123.93 1bz4 h GLU 121 Ca 0.00 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1bz4 h GLU 121 Cb 1.16 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1bz4 h GLU 121 CO 0.11 0.67 0.02 0.28 -1.00 0.00 0.00 179.01 179.09 1bz4 h VAL 122 N 0.46 1.23 -0.81 3.13 2.07 -0.94 -2.86 116.25 118.53 1bz4 h VAL 122 Ca 0.08 -0.74 0.07 0.00 0.82 0.00 0.00 66.70 66.92 1bz4 h VAL 122 Cb 0.59 1.45 -0.06 0.00 -1.52 0.00 0.00 31.29 31.75 1bz4 h VAL 122 CO 0.04 0.22 0.49 1.56 0.02 0.00 0.00 177.57 179.90 1bz4 h GLN 123 N 0.00 0.85 0.00 1.57 1.08 -1.15 -0.78 115.11 116.69 1bz4 h GLN 123 Ca 0.04 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1bz4 h GLN 123 Cb 0.32 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1bz4 h GLN 123 CO 0.00 0.56 0.00 0.00 -0.95 0.00 0.00 178.83 178.45 1bz4 h ALA 124 N 1.40 1.00 0.00 3.87 0.00 -1.16 -2.12 119.26 122.25 1bz4 h ALA 124 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1bz4 h ALA 124 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1bz4 h ALA 124 CO -0.19 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.73 1bz4 n MET 125 N -2.94 0.18 -3.91 0.00 2.81 -0.30 -4.93 117.12 108.03 1bz4 n MET 125 Ca -0.01 0.28 -0.28 0.00 -1.81 0.00 0.00 57.70 55.88 1bz4 n MET 125 Cb 0.16 -1.77 0.01 0.00 -0.71 0.00 0.00 33.22 30.91 1bz4 n MET 125 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1bz4 n LEU 126 N -2.10 -2.52 0.00 4.03 4.77 -0.80 -2.22 117.00 118.17 1bz4 n LEU 126 Ca 0.04 -0.86 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 1bz4 n LEU 126 Cb 0.32 -2.46 0.00 0.00 -2.33 0.00 0.00 43.42 38.95 1bz4 n LEU 126 CO 0.24 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 1bz4 n GLY 127 N -1.67 1.62 3.68 -0.72 0.00 -1.26 -5.07 105.19 101.77 1bz4 n GLY 127 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 1bz4 n GLY 127 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bz4 s GLN 128 N -0.90 1.10 0.25 1.61 -0.21 -0.94 -4.92 119.66 115.65 1bz4 s GLN 128 Ca 0.00 1.26 -0.31 0.00 0.02 0.00 0.00 55.36 56.33 1bz4 s GLN 128 Cb 0.00 -1.76 -0.13 0.00 1.00 0.00 0.00 33.01 32.12 1bz4 s GLN 128 CO 0.00 -2.48 1.39 0.45 -2.12 0.00 0.00 175.29 172.53 1bz4 n SER 129 N -4.10 2.71 -0.83 5.90 2.88 -1.26 -4.89 113.62 114.03 1bz4 n SER 129 Ca 0.09 1.15 0.07 0.00 -1.33 0.00 0.00 58.87 58.85 1bz4 n SER 129 Cb 0.53 -1.43 0.22 0.00 -0.75 0.00 0.00 64.21 62.78 1bz4 n SER 129 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1bz4 n THR 130 N 1.74 1.63 -0.17 2.46 -2.24 -1.26 -4.64 114.28 111.79 1bz4 n THR 130 Ca 0.11 -1.39 -0.04 0.00 -2.27 0.00 0.00 64.05 60.46 1bz4 n THR 130 Cb 0.32 0.14 0.16 0.00 -2.10 0.00 0.00 70.33 68.85 1bz4 n THR 130 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1bz4 h GLU 131 N 2.11 0.93 -0.21 -0.78 4.57 -1.99 -0.25 114.58 118.96 1bz4 h GLU 131 Ca 0.00 -0.19 -0.16 0.00 -1.18 0.00 0.00 59.36 57.83 1bz4 h GLU 131 Cb 1.10 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.54 1bz4 h GLU 131 CO 0.12 0.81 -0.53 1.49 -1.18 0.00 0.00 179.01 179.72 1bz4 h GLU 132 N 0.90 0.61 -0.43 1.92 4.57 -2.00 -1.71 114.58 118.44 1bz4 h GLU 132 Ca 0.20 -0.38 -0.09 0.00 -1.18 0.00 0.00 59.36 57.92 1bz4 h GLU 132 Cb 0.28 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 1bz4 h GLU 132 CO -0.01 0.99 -0.09 -0.07 -1.18 0.00 0.00 179.01 178.65 1bz4 h LEU 133 N 0.47 0.73 -0.80 1.64 3.38 -1.72 -2.18 115.31 116.83 1bz4 h LEU 133 Ca 0.01 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.65 1bz4 h LEU 133 Cb 1.08 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1bz4 h LEU 133 CO 0.10 0.85 -0.49 0.03 0.09 0.00 0.00 178.44 179.02 1bz4 h ARG 134 N 0.68 0.26 -0.38 1.13 3.08 -0.73 0.23 114.38 118.66 1bz4 h ARG 134 Ca 0.12 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 1bz4 h ARG 134 Cb 0.55 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1bz4 h ARG 134 CO 0.03 0.70 0.06 0.28 -1.07 0.00 0.00 179.97 179.97 1bz4 h VAL 135 N 0.21 1.24 -0.22 2.04 2.07 -0.79 -1.40 116.25 119.40 1bz4 h VAL 135 Ca 0.01 -0.87 -0.14 0.00 0.82 0.00 0.00 66.70 66.52 1bz4 h VAL 135 Cb 0.95 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1bz4 h VAL 135 CO 0.08 0.30 -0.44 0.03 0.02 0.00 0.00 177.57 177.56 1bz4 h ARG 136 N 0.48 0.55 -0.57 1.57 3.08 -1.23 -2.24 114.38 116.02 1bz4 h ARG 136 Ca 0.11 -0.29 -0.07 0.00 0.07 0.00 0.00 59.98 59.80 1bz4 h ARG 136 Cb 0.37 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1bz4 h ARG 136 CO 0.01 0.88 0.10 1.25 -1.07 0.00 0.00 179.97 181.14 1bz4 h LEU 137 N 0.45 0.90 -0.50 3.04 5.85 -0.79 -1.93 115.31 122.33 1bz4 h LEU 137 Ca 0.03 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 1bz4 h LEU 137 Cb 0.95 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 1bz4 h LEU 137 CO 0.08 0.92 0.30 0.00 -0.34 0.00 0.00 178.44 179.40 1bz4 h ALA 138 N 1.00 0.63 -0.09 1.25 0.00 -1.13 0.43 119.26 121.36 1bz4 h ALA 138 Ca 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1bz4 h ALA 138 Cb 0.41 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1bz4 h ALA 138 CO 0.01 0.13 0.05 1.03 0.00 0.00 0.00 179.25 180.46 1bz4 h SER 139 N 0.66 0.07 -0.56 0.00 0.87 -1.24 -2.36 113.55 110.99 1bz4 h SER 139 Ca 0.18 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.68 1bz4 h SER 139 Cb -0.00 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 1bz4 h SER 139 CO -0.03 0.06 0.12 -0.74 -0.53 0.00 0.00 176.83 175.71 1bz4 h HIS 140 N 0.10 0.96 -0.71 2.24 6.17 -1.11 -2.89 115.15 119.92 1bz4 h HIS 140 Ca 0.04 -0.12 0.00 0.00 0.71 0.00 0.00 60.37 61.00 1bz4 h HIS 140 Cb 0.00 -0.27 -0.03 0.00 2.52 0.00 0.00 27.41 29.63 1bz4 h HIS 140 CO -0.09 0.83 0.46 -0.07 0.71 0.00 0.00 177.93 179.77 1bz4 h LEU 141 N 0.81 0.82 -0.47 0.26 3.38 -0.80 -1.51 115.31 117.80 1bz4 h LEU 141 Ca 0.17 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.14 1bz4 h LEU 141 Cb 0.37 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1bz4 h LEU 141 CO 0.00 0.60 0.28 -0.09 0.09 0.00 0.00 178.44 179.33 1bz4 h ARG 142 N 0.96 0.54 -0.41 1.13 2.43 -1.21 0.38 114.38 118.20 1bz4 h ARG 142 Ca 0.26 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.26 1bz4 h ARG 142 Cb -0.09 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 1bz4 h ARG 142 CO -0.05 0.36 -0.28 0.87 -1.51 0.00 0.00 179.97 179.36 1bz4 h LYS 143 N 0.56 0.89 -0.35 0.20 1.57 -1.34 -1.44 116.57 116.66 1bz4 h LYS 143 Ca 0.18 -0.40 -0.10 0.00 -1.87 0.00 0.00 60.65 58.46 1bz4 h LYS 143 Cb 0.01 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1bz4 h LYS 143 CO -0.08 1.05 -0.19 -0.07 -0.57 0.00 0.00 179.45 179.59 1bz4 h LEU 144 N 0.75 0.65 -0.66 2.94 3.38 -1.00 -2.05 115.31 119.32 1bz4 h LEU 144 Ca 0.09 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.70 1bz4 h LEU 144 Cb 0.84 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1bz4 h LEU 144 CO 0.07 0.84 -0.66 0.03 0.09 0.00 0.00 178.44 178.82 1bz4 h ARG 145 N 0.58 0.06 -0.37 1.13 3.08 -0.79 -1.38 114.38 116.69 1bz4 h ARG 145 Ca 0.09 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 1bz4 h ARG 145 Cb 0.65 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1bz4 h ARG 145 CO 0.05 0.69 0.07 0.87 -1.07 0.00 0.00 179.97 180.58 1bz4 h LYS 146 N 0.04 0.60 -0.53 0.04 1.57 -0.94 -1.20 116.57 116.15 1bz4 h LYS 146 Ca -0.01 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 1bz4 h LYS 146 Cb 1.17 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 1bz4 h LYS 146 CO 0.09 0.66 0.27 -0.09 -0.57 0.00 0.00 179.45 179.80 1bz4 h ARG 147 N 0.45 0.75 -0.44 3.15 2.43 -1.19 -1.26 114.38 118.27 1bz4 h ARG 147 Ca 0.11 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1bz4 h ARG 147 Cb 0.34 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1bz4 h ARG 147 CO 0.01 0.61 0.19 1.25 -1.51 0.00 0.00 179.97 180.51 1bz4 h LEU 148 N 0.70 0.59 -0.55 3.80 5.85 -1.05 -1.40 115.31 123.27 1bz4 h LEU 148 Ca 0.18 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1bz4 h LEU 148 Cb 0.09 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1bz4 h LEU 148 CO -0.03 0.58 0.23 0.25 -0.34 0.00 0.00 178.44 179.14 1bz4 h LEU 149 N 0.57 0.74 -0.49 2.25 5.85 -1.06 0.06 115.31 123.22 1bz4 h LEU 149 Ca 0.15 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.75 1bz4 h LEU 149 Cb 0.16 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1bz4 h LEU 149 CO -0.01 0.70 0.25 -0.09 -0.34 0.00 0.00 178.44 178.95 1bz4 h ARG 150 N 0.74 0.49 -0.14 1.25 2.43 -1.04 -1.03 114.38 117.08 1bz4 h ARG 150 Ca 0.18 -0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.19 1bz4 h ARG 150 Cb 0.17 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1bz4 h ARG 150 CO -0.02 0.32 -0.49 -0.44 -1.51 0.00 0.00 179.97 177.83 1bz4 h ASP 151 N 0.50 0.41 -0.46 -3.80 3.32 -0.91 -2.53 116.42 112.95 1bz4 h ASP 151 Ca 0.21 -0.20 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 1bz4 h ASP 151 Cb 0.11 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1bz4 h ASP 151 CO -0.14 0.84 -0.02 0.00 -1.72 0.00 0.00 179.24 178.20 1bz4 h ALA 152 N 1.17 0.63 -0.31 3.45 0.00 -0.56 -1.06 119.26 122.58 1bz4 h ALA 152 Ca 0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1bz4 h ALA 152 Cb 0.98 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1bz4 h ALA 152 CO 0.08 0.44 0.17 0.22 0.00 0.00 0.00 179.25 180.17 1bz4 h ASP 153 N 0.68 0.40 -0.39 0.00 3.58 -1.13 0.21 116.42 119.77 1bz4 h ASP 153 Ca 0.13 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 1bz4 h ASP 153 Cb 0.53 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 1bz4 h ASP 153 CO 0.03 0.38 0.20 -0.78 -2.88 0.00 0.00 179.24 176.19 1bz4 h ASP 154 N 0.38 0.50 -0.65 2.28 3.58 -1.35 -0.05 116.42 121.11 1bz4 h ASP 154 Ca 0.11 -0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 1bz4 h ASP 154 Cb 0.07 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 40.96 1bz4 h ASP 154 CO -0.02 0.47 0.39 0.25 -2.88 0.00 0.00 179.24 177.45 1bz4 h LEU 155 N 0.50 0.79 -1.06 2.28 5.85 -1.01 -0.65 115.31 122.01 1bz4 h LEU 155 Ca 0.14 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 1bz4 h LEU 155 Cb 0.09 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1bz4 h LEU 155 CO -0.02 0.63 0.06 1.56 -0.34 0.00 0.00 178.44 180.33 1bz4 h GLN 156 N 0.89 0.73 -0.34 1.25 4.20 -0.57 -1.00 115.11 120.26 1bz4 h GLN 156 Ca 0.23 -0.16 -0.17 0.00 0.06 0.00 0.00 58.65 58.61 1bz4 h GLN 156 Cb -0.01 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.67 1bz4 h GLN 156 CO -0.04 0.70 -0.46 0.87 -0.67 0.00 0.00 178.83 179.23 1bz4 h LYS 157 N 0.70 0.91 -0.64 1.46 6.56 -0.49 -2.52 116.57 122.55 1bz4 h LYS 157 Ca 0.15 -0.52 -0.08 0.00 -1.06 0.00 0.00 60.65 59.14 1bz4 h LYS 157 Cb 0.34 0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 32.02 1bz4 h LYS 157 CO 0.01 1.17 0.10 0.00 -2.06 0.00 0.00 179.45 178.66 1bz4 h ARG 158 N 0.72 1.06 -0.50 3.15 3.08 -0.80 -2.83 114.38 118.25 1bz4 h ARG 158 Ca 0.04 -0.29 -0.05 0.00 0.07 0.00 0.00 59.98 59.75 1bz4 h ARG 158 Cb 1.06 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.97 1bz4 h ARG 158 CO 0.11 0.98 0.09 -0.07 -1.07 0.00 0.00 179.97 180.00 1bz4 h LEU 159 N 0.97 0.73 -1.62 3.04 3.38 -1.14 -2.02 115.31 118.65 1bz4 h LEU 159 Ca 0.19 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1bz4 h LEU 159 Cb 0.44 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1bz4 h LEU 159 CO 0.01 0.74 -0.18 0.00 0.09 0.00 0.00 178.44 179.11 1bz4 h ALA 160 N 1.35 1.69 -0.30 1.53 0.00 -1.20 -2.93 119.26 119.40 1bz4 h ALA 160 Ca 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1bz4 h ALA 160 Cb 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1bz4 h ALA 160 CO 0.00 0.24 0.00 1.33 0.00 0.00 0.00 179.25 180.82 1bz4 n VAL 161 N -4.32 0.72 -0.14 0.00 0.24 -1.10 -4.70 118.33 109.02 1bz4 n VAL 161 Ca -0.02 -0.86 -0.09 0.00 -2.04 0.00 0.00 64.34 61.33 1bz4 n VAL 161 Cb 0.25 0.72 -0.00 0.00 -1.47 0.00 0.00 33.84 33.33 1bz4 n VAL 161 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1bz4 h TYR 162 N 2.42 0.61 -0.58 6.34 3.20 -1.17 -3.23 116.97 124.55 1bz4 h TYR 162 Ca 0.00 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.78 1bz4 h TYR 162 Cb 0.71 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 1bz4 h TYR 162 CO 0.19 0.49 0.10 1.96 -1.64 0.00 0.00 178.16 179.27 1bz4 h GLN 163 N 0.54 0.95 -0.03 1.82 4.20 -1.84 -2.77 115.11 117.98 1bz4 h GLN 163 Ca 0.15 -0.25 0.01 0.00 0.06 0.00 0.00 58.65 58.62 1bz4 h GLN 163 Cb 0.11 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1bz4 h GLN 163 CO -0.02 0.90 0.03 0.00 -0.67 0.00 0.00 178.83 179.07 1bz4 h ALA 164 N 1.01 1.88 0.00 3.87 0.00 -1.88 0.13 119.26 124.27 1bz4 h ALA 164 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1bz4 h ALA 164 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1bz4 h ALA 164 CO 0.01 -0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.63