#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fz5 s PRO 3 N 0.00 3.23 -0.23 3.52 0.04 -1.26 -4.80 135.00 135.50 3fz5 s PRO 3 Ca 0.00 1.05 -0.29 0.00 0.04 0.00 0.00 61.00 61.80 3fz5 s PRO 3 Cb 0.00 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 3fz5 s PRO 3 CO 0.00 -0.87 1.60 0.42 0.04 0.00 0.00 177.00 178.19 3fz5 s ILE 4 N -2.77 3.72 -0.28 0.56 1.01 0.20 -4.67 121.20 118.97 3fz5 s ILE 4 Ca 0.60 0.80 -0.22 0.00 0.00 0.00 0.00 60.65 61.84 3fz5 s ILE 4 Cb -0.14 -3.74 -0.01 0.00 0.01 0.00 0.00 42.46 38.58 3fz5 s ILE 4 CO 0.45 -0.32 0.71 -0.70 0.00 0.00 0.00 174.94 175.08 3fz5 s GLU 5 N 4.69 4.04 -0.49 2.79 2.12 -0.51 -0.65 118.70 130.69 3fz5 s GLU 5 Ca 0.71 0.58 -0.05 0.00 0.36 0.00 0.00 54.97 56.56 3fz5 s GLU 5 Cb -0.24 -3.68 0.13 0.00 0.26 0.00 0.00 34.13 30.59 3fz5 s GLU 5 CO 0.29 -0.53 0.32 0.12 -0.54 0.00 0.00 175.26 174.92 3fz5 s PHE 6 N 2.70 3.51 -0.08 5.30 5.36 0.11 -1.16 117.98 133.73 3fz5 s PHE 6 Ca 0.29 -2.30 -0.15 0.00 -0.96 0.00 0.00 56.93 53.82 3fz5 s PHE 6 Cb -0.15 -3.33 -0.05 0.00 -0.34 0.00 0.00 43.02 39.15 3fz5 s PHE 6 CO 0.10 -0.95 0.37 -1.58 -1.46 0.00 0.00 175.22 171.69 3fz5 s TRP 7 N 0.91 3.60 0.18 10.12 0.52 -0.07 -0.66 118.94 133.53 3fz5 s TRP 7 Ca 0.10 0.82 -0.23 0.00 0.02 0.00 0.00 56.10 56.81 3fz5 s TRP 7 Cb -0.23 -2.33 0.06 0.00 -1.15 0.00 0.00 33.47 29.82 3fz5 s TRP 7 CO -0.03 0.44 0.68 -0.59 0.02 0.00 0.00 176.95 177.48 3fz5 s PHE 8 N -0.30 -0.39 -0.11 -1.98 -0.12 -1.10 -0.44 117.98 113.55 3fz5 s PHE 8 Ca 0.21 0.11 -0.04 0.00 -0.05 0.00 0.00 56.93 57.16 3fz5 s PHE 8 Cb -0.15 0.61 -0.04 0.00 -0.63 0.00 0.00 43.02 42.81 3fz5 s PHE 8 CO 0.09 -0.93 0.05 0.34 -0.05 0.00 0.00 175.22 174.72 3fz5 s ASP 9 N -2.79 5.64 0.52 1.98 -1.08 -1.26 -1.31 116.67 118.38 3fz5 s ASP 9 Ca 0.05 0.24 0.23 0.00 -0.52 0.00 0.00 52.55 52.55 3fz5 s ASP 9 Cb -0.03 -1.71 1.41 0.00 -1.46 0.00 0.00 42.92 41.13 3fz5 s ASP 9 CO -0.06 0.37 2.11 -0.26 0.52 0.00 0.00 175.17 177.85 3fz5 h PHE 10 N 5.25 0.00 -0.20 -5.34 -1.00 -1.93 -2.18 116.94 111.54 3fz5 h PHE 10 Ca -0.51 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.27 3fz5 h PHE 10 Cb 1.20 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.76 3fz5 h PHE 10 CO 0.67 0.09 0.00 0.43 -1.61 0.00 0.00 178.31 177.89 3fz5 n SER 11 N -3.99 2.57 -4.40 2.17 7.64 -1.26 -4.84 113.62 111.50 3fz5 n SER 11 Ca -0.02 -2.30 -0.39 0.00 1.01 0.00 0.00 58.87 57.16 3fz5 n SER 11 Cb 0.18 -0.54 -0.11 0.00 -1.01 0.00 0.00 64.21 62.72 3fz5 n SER 11 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3fz5 s SER 12 N -0.31 5.63 0.23 6.43 0.15 -0.82 -4.85 113.70 120.16 3fz5 s SER 12 Ca 0.19 -0.76 -0.06 0.00 0.70 0.00 0.00 55.95 56.01 3fz5 s SER 12 Cb 0.14 -2.01 0.34 0.00 -1.71 0.00 0.00 66.02 62.78 3fz5 s SER 12 CO 0.06 -0.29 1.80 1.23 1.20 0.00 0.00 173.24 177.24 3fz5 h GLY 13 N 8.39 1.14 1.47 9.45 0.00 -1.88 -1.69 103.07 119.95 3fz5 h GLY 13 Ca -0.29 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 46.69 3fz5 h GLY 13 CO 0.64 0.12 -0.07 -0.97 0.00 0.00 0.00 176.54 176.26 3fz5 h TYR 14 N 0.72 0.68 -0.46 5.60 0.05 -1.94 -2.23 116.97 119.39 3fz5 h TYR 14 Ca 0.36 -0.10 -0.05 0.00 0.05 0.00 0.00 58.73 58.99 3fz5 h TYR 14 Cb 0.31 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 3fz5 h TYR 14 CO -0.08 0.69 0.08 0.00 -1.05 0.00 0.00 178.16 177.81 3fz5 h ALA 15 N 1.33 1.28 -0.01 3.88 0.00 -1.62 -0.93 119.26 123.19 3fz5 h ALA 15 Ca 0.11 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3fz5 h ALA 15 Cb 0.48 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3fz5 h ALA 15 CO 0.03 0.50 -0.35 0.35 0.00 0.00 0.00 179.25 179.78 3fz5 h PHE 16 N 0.68 -0.96 -0.34 0.00 3.57 -0.71 0.37 116.94 119.55 3fz5 h PHE 16 Ca 0.15 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 3fz5 h PHE 16 Cb 0.30 0.42 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 3fz5 h PHE 16 CO 0.01 -0.43 0.17 0.74 -2.23 0.00 0.00 178.31 176.57 3fz5 h PHE 17 N -0.50 0.49 -0.80 0.41 0.04 -1.34 -1.91 116.94 113.34 3fz5 h PHE 17 Ca 0.06 -0.02 0.16 0.00 2.80 0.00 0.00 57.97 60.96 3fz5 h PHE 17 Cb 0.58 -0.15 -0.10 0.00 2.20 0.00 0.00 35.95 38.48 3fz5 h PHE 17 CO -0.37 0.42 0.35 0.00 -0.60 0.00 0.00 178.31 178.11 3fz5 h ALA 18 N 1.02 1.18 0.00 2.45 0.00 -0.95 -0.63 119.26 122.33 3fz5 h ALA 18 Ca 0.12 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3fz5 h ALA 18 Cb 0.11 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3fz5 h ALA 18 CO -0.02 -0.20 -0.05 0.00 0.00 0.00 0.00 179.25 178.99 3fz5 h ALA 19 N 1.58 1.04 -0.04 0.00 0.00 0.52 -0.82 119.26 121.54 3fz5 h ALA 19 Ca 0.45 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 55.16 3fz5 h ALA 19 Cb 0.71 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3fz5 h ALA 19 CO -0.42 0.06 -0.68 1.96 0.00 0.00 0.00 179.25 180.18 3fz5 h GLN 20 N 0.00 0.18 0.00 0.00 1.08 -0.66 -3.37 115.11 112.34 3fz5 h GLN 20 Ca -0.00 -0.14 -0.14 0.00 -1.45 0.00 0.00 58.65 56.92 3fz5 h GLN 20 Cb 0.43 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.86 3fz5 h GLN 20 CO 0.01 0.79 -1.92 -2.13 -0.95 0.00 0.00 178.83 174.63 3fz5 n ARG 21 N -3.80 0.95 -0.31 1.46 3.00 -0.88 -4.75 116.66 112.34 3fz5 n ARG 21 Ca -0.02 -0.08 -0.03 0.00 -0.00 0.00 0.00 57.85 57.71 3fz5 n ARG 21 Cb 0.67 -1.40 0.09 0.00 0.00 0.00 0.00 32.46 31.82 3fz5 n ARG 21 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.63 178.60 3fz5 h ILE 22 N 0.00 1.18 -0.27 5.15 6.09 -1.33 -0.85 117.51 127.49 3fz5 h ILE 22 Ca -0.20 -0.38 -0.16 0.00 -1.37 0.00 0.00 64.86 62.75 3fz5 h ILE 22 Cb 1.34 -0.02 -0.00 0.00 0.47 0.00 0.00 36.82 38.61 3fz5 h ILE 22 CO 0.01 0.20 -0.45 -0.33 -3.07 0.00 0.00 178.15 174.51 3fz5 h GLU 23 N 1.11 0.78 -0.65 2.19 4.39 -1.85 -1.80 114.58 118.75 3fz5 h GLU 23 Ca 0.32 -0.48 -0.06 0.00 0.34 0.00 0.00 59.36 59.48 3fz5 h GLU 23 Cb -0.07 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 3fz5 h GLU 23 CO -0.09 1.11 0.17 0.00 -1.16 0.00 0.00 179.01 179.04 3fz5 h ALA 24 N 0.66 1.09 -0.16 3.43 0.00 -1.81 -1.13 119.26 121.34 3fz5 h ALA 24 Ca 0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3fz5 h ALA 24 Cb 1.05 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3fz5 h ALA 24 CO 0.10 0.61 -0.04 1.25 0.00 0.00 0.00 179.25 181.17 3fz5 h LEU 25 N 0.96 0.32 -1.26 0.00 5.85 -1.08 -1.57 115.31 118.53 3fz5 h LEU 25 Ca 0.21 -0.37 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 3fz5 h LEU 25 Cb 0.32 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3fz5 h LEU 25 CO -0.00 0.62 0.09 0.00 -0.34 0.00 0.00 178.44 178.81 3fz5 h ALA 26 N 0.71 1.41 -0.26 1.25 0.00 -1.30 -1.78 119.26 119.29 3fz5 h ALA 26 Ca 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3fz5 h ALA 26 Cb 0.48 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3fz5 h ALA 26 CO 0.02 0.43 0.11 0.00 0.00 0.00 0.00 179.25 179.81 3fz5 h ALA 27 N 1.52 0.33 -0.85 0.00 0.00 -1.09 0.76 119.26 119.93 3fz5 h ALA 27 Ca 0.13 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.06 3fz5 h ALA 27 Cb 0.23 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.84 3fz5 h ALA 27 CO -0.00 -0.09 0.47 0.93 0.00 0.00 0.00 179.25 180.56 3fz5 h GLU 28 N 0.27 0.72 -0.12 0.00 5.08 -0.92 -1.40 114.58 118.21 3fz5 h GLU 28 Ca 0.09 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3fz5 h GLU 28 Cb 0.15 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3fz5 h GLU 28 CO -0.01 0.48 0.00 1.28 -1.00 0.00 0.00 179.01 179.76 3fz5 n LEU 29 N -4.78 1.80 -1.44 1.33 4.77 -0.70 -4.94 117.00 113.03 3fz5 n LEU 29 Ca 0.15 -0.70 -0.12 0.00 -0.03 0.00 0.00 56.01 55.32 3fz5 n LEU 29 Cb 0.35 -0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3fz5 n LEU 29 CO 0.25 0.35 -0.14 0.61 -1.33 0.00 0.00 177.39 177.13 3fz5 n GLY 30 N 1.18 -0.12 3.64 -0.72 0.00 0.90 -5.02 105.19 105.06 3fz5 n GLY 30 Ca 0.17 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 3fz5 n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fz5 s ARG 31 N -4.67 2.11 0.36 1.61 1.81 0.23 -4.99 118.95 115.41 3fz5 s ARG 31 Ca 0.02 -1.72 0.08 0.00 -1.72 0.00 0.00 55.73 52.39 3fz5 s ARG 31 Cb -0.01 -1.96 -0.03 0.00 -0.45 0.00 0.00 34.95 32.50 3fz5 s ARG 31 CO 0.03 0.14 0.29 0.95 -0.68 0.00 0.00 175.30 176.03 3fz5 s THR 32 N -2.51 3.18 -0.05 0.02 -4.23 -1.26 -3.80 115.64 106.99 3fz5 s THR 32 Ca 0.35 -1.41 0.04 0.00 -1.18 0.00 0.00 61.69 59.49 3fz5 s THR 32 Cb -0.00 -3.10 -0.02 0.00 1.34 0.00 0.00 72.50 70.71 3fz5 s THR 32 CO 0.20 -0.12 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.30 3fz5 s VAL 33 N -2.38 2.84 -0.22 2.29 1.01 -1.26 0.59 120.40 123.28 3fz5 s VAL 33 Ca 0.43 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 3fz5 s VAL 33 Cb -0.04 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.24 3fz5 s VAL 33 CO 0.26 0.58 -0.07 -0.22 0.00 0.00 0.00 175.10 175.65 3fz5 s LEU 34 N -0.55 2.78 -0.09 3.92 2.96 0.17 -4.90 118.68 122.97 3fz5 s LEU 34 Ca 0.08 -0.49 -0.22 0.00 -0.22 0.00 0.00 54.13 53.28 3fz5 s LEU 34 Cb -0.11 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 3fz5 s LEU 34 CO 0.01 -0.03 0.64 0.26 -1.32 0.00 0.00 176.35 175.91 3fz5 s TRP 35 N 1.43 3.54 -0.47 5.38 0.52 -1.26 0.08 118.94 128.16 3fz5 s TRP 35 Ca 0.05 1.13 0.03 0.00 0.02 0.00 0.00 56.10 57.33 3fz5 s TRP 35 Cb -0.14 -2.74 0.16 0.00 -1.15 0.00 0.00 33.47 29.60 3fz5 s TRP 35 CO -0.05 0.08 0.34 1.03 0.02 0.00 0.00 176.95 178.37 3fz5 s ARG 36 N 0.86 1.23 0.50 4.98 1.81 0.16 -4.94 118.95 123.56 3fz5 s ARG 36 Ca 0.34 -2.24 -0.21 0.00 -1.72 0.00 0.00 55.73 51.90 3fz5 s ARG 36 Cb -0.17 -1.95 -0.07 0.00 -0.45 0.00 0.00 34.95 32.32 3fz5 s ARG 36 CO 0.15 -1.31 1.13 -1.25 -0.68 0.00 0.00 175.30 173.35 3fz5 s PRO 37 N -0.06 3.59 0.00 3.54 0.04 -1.26 -2.70 135.00 138.15 3fz5 s PRO 37 Ca 0.27 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.96 3fz5 s PRO 37 Cb -0.06 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.28 3fz5 s PRO 37 CO -0.13 -0.67 0.00 2.48 0.04 0.00 0.00 177.00 178.72 3fz5 n TYR 38 N -0.89 0.00 -0.79 0.56 -0.00 -0.42 -4.90 117.16 110.72 3fz5 n TYR 38 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.99 3fz5 n TYR 38 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.84 3fz5 n TYR 38 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.86 176.75 3fz5 n LEU 40 N 0.00 0.00 0.00 -3.48 7.94 -1.26 -4.22 117.00 115.98 3fz5 n LEU 40 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3fz5 n LEU 40 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3fz5 n LEU 40 CO 0.00 0.00 -0.05 -1.20 -1.11 0.00 0.00 177.39 175.03 3fz5 n SER 54 N 0.00 0.02 -4.50 1.96 7.64 -1.26 -5.07 113.62 112.41 3fz5 n SER 54 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 3fz5 n SER 54 Cb 0.00 0.00 0.22 0.00 -1.01 0.00 0.00 64.21 63.42 3fz5 n SER 54 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3fz5 s THR 55 N -1.96 1.95 0.00 0.44 2.01 -1.26 -4.97 115.64 111.85 3fz5 s THR 55 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 3fz5 s THR 55 Cb 0.00 -2.28 0.00 0.00 0.01 0.00 0.00 72.50 70.23 3fz5 s THR 55 CO 0.00 0.00 0.00 -2.65 -0.69 0.00 0.00 174.62 171.28 3fz5 n PRO 56 N -4.65 0.00 0.00 4.92 -0.02 -1.26 -4.43 135.00 129.57 3fz5 n PRO 56 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 3fz5 n PRO 56 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.04 3fz5 n PRO 56 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3fz5 n LEU 57 N 0.00 0.00 0.19 2.45 7.94 -1.26 -4.28 117.00 122.04 3fz5 n LEU 57 Ca 0.00 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 54.94 3fz5 n LEU 57 Cb 0.00 0.00 0.38 0.00 0.53 0.00 0.00 43.42 44.33 3fz5 n LEU 57 CO 0.00 0.00 0.72 0.11 -1.11 0.00 0.00 177.39 177.11 3fz5 h LYS 58 N 0.00 0.00 -0.03 1.96 6.56 -1.97 -1.09 116.57 122.00 3fz5 h LYS 58 Ca 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.58 3fz5 h LYS 58 Cb 0.00 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.66 3fz5 h LYS 58 CO 0.00 0.37 -0.01 0.00 -2.06 0.00 0.00 179.45 177.75 3fz5 h ARG 59 N 0.00 0.06 -0.60 3.15 2.47 -1.83 -1.61 114.38 116.03 3fz5 h ARG 59 Ca -0.00 -0.02 0.12 0.00 -1.26 0.00 0.00 59.98 58.81 3fz5 h ARG 59 Cb 0.71 -0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 28.91 3fz5 h ARG 59 CO 0.05 0.42 -0.15 -0.44 0.56 0.00 0.00 179.97 180.41 3fz5 h ASP 60 N -0.30 -0.56 0.31 7.04 5.19 -1.72 -0.68 116.42 125.69 3fz5 h ASP 60 Ca 0.01 0.18 -0.02 0.00 -0.62 0.00 0.00 57.03 56.58 3fz5 h ASP 60 Cb 0.40 0.37 0.00 0.00 0.18 0.00 0.00 39.33 40.29 3fz5 h ASP 60 CO 0.00 -0.20 -0.15 0.22 -3.12 0.00 0.00 179.24 176.00 3fz5 h TYR 61 N -0.00 -0.38 -0.63 4.55 3.20 -1.19 -1.33 116.97 121.18 3fz5 h TYR 61 Ca 0.29 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.21 3fz5 h TYR 61 Cb 0.44 0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.78 3fz5 h TYR 61 CO -0.49 -0.14 0.33 0.00 -1.64 0.00 0.00 178.16 176.22 3fz5 h ALA 62 N 0.09 0.84 -0.35 1.82 0.00 -1.00 0.84 119.26 121.51 3fz5 h ALA 62 Ca -0.04 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3fz5 h ALA 62 Cb 0.41 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3fz5 h ALA 62 CO 0.07 -0.01 0.17 1.96 0.00 0.00 0.00 179.25 181.43 3fz5 h GLN 63 N 0.62 0.33 -0.66 0.00 4.20 -1.10 0.35 115.11 118.84 3fz5 h GLN 63 Ca 0.29 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.92 3fz5 h GLN 63 Cb 0.21 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 3fz5 h GLN 63 CO -0.20 0.22 0.19 -0.09 -0.67 0.00 0.00 178.83 178.28 3fz5 h ARG 64 N 0.34 1.05 -0.29 1.46 2.43 -0.01 -1.50 114.38 117.87 3fz5 h ARG 64 Ca 0.15 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 3fz5 h ARG 64 Cb 0.07 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3fz5 h ARG 64 CO -0.11 0.93 0.14 0.22 -1.51 0.00 0.00 179.97 179.63 3fz5 h ASP 65 N 0.98 0.38 -0.73 -3.80 3.58 0.13 -1.52 116.42 115.43 3fz5 h ASP 65 Ca 0.21 -0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.51 3fz5 h ASP 65 Cb 0.33 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.25 3fz5 h ASP 65 CO -0.00 0.40 0.37 -0.50 -2.88 0.00 0.00 179.24 176.63 3fz5 h TRP 66 N 0.33 1.04 -0.69 0.28 6.55 -0.11 -1.70 115.95 121.63 3fz5 h TRP 66 Ca 0.10 -0.04 -0.07 0.00 0.95 0.00 0.00 58.89 59.83 3fz5 h TRP 66 Cb 0.13 -0.32 -0.03 0.00 -0.86 0.00 0.00 29.16 28.07 3fz5 h TRP 66 CO -0.02 0.75 0.17 0.00 -1.05 0.00 0.00 178.44 178.30 3fz5 h ALA 67 N 1.18 0.98 0.16 1.49 0.00 -1.21 -1.30 119.26 120.57 3fz5 h ALA 67 Ca 0.25 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3fz5 h ALA 67 Cb 0.09 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3fz5 h ALA 67 CO -0.03 0.66 -0.46 0.00 0.00 0.00 0.00 179.25 179.41 3fz5 h ARG 68 N 1.05 -0.69 -0.34 0.00 3.08 -0.89 -1.07 114.38 115.52 3fz5 h ARG 68 Ca 0.22 0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.35 3fz5 h ARG 68 Cb 0.37 0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 3fz5 h ARG 68 CO 0.00 -0.46 0.13 0.82 -1.07 0.00 0.00 179.97 179.39 3fz5 h ILE 69 N -0.72 0.92 0.07 2.04 2.04 -1.22 -0.85 117.51 119.80 3fz5 h ILE 69 Ca 0.01 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3fz5 h ILE 69 Cb 0.72 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3fz5 h ILE 69 CO -0.24 0.05 -0.06 0.00 0.00 0.00 0.00 178.15 177.90 3fz5 h ALA 70 N 1.21 -0.12 -0.12 1.87 0.00 -1.19 -3.11 119.26 117.80 3fz5 h ALA 70 Ca 0.15 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3fz5 h ALA 70 Cb 0.11 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3fz5 h ALA 70 CO -0.14 -0.58 0.06 -0.09 0.00 0.00 0.00 179.25 178.50 3fz5 h ARG 71 N -0.14 0.13 0.00 0.00 2.43 -1.04 0.09 114.38 115.85 3fz5 h ARG 71 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3fz5 h ARG 71 Cb 0.13 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3fz5 h ARG 71 CO -0.01 0.09 0.22 0.37 -1.51 0.00 0.00 179.97 179.13 3fz5 h GLN 72 N 0.14 0.00 0.00 0.20 4.15 -1.12 -2.56 115.11 115.92 3fz5 h GLN 72 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.47 3fz5 h GLN 72 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 3fz5 h GLN 72 CO -0.03 0.00 0.00 -2.13 -1.93 0.00 0.00 178.83 174.74 3fz5 n ARG 73 N -2.74 1.42 -2.98 1.69 0.63 -0.75 -5.01 116.66 108.92 3fz5 n ARG 73 Ca -0.02 -0.27 -0.11 0.00 -0.92 0.00 0.00 57.85 56.54 3fz5 n ARG 73 Cb 0.27 -0.73 0.04 0.00 0.45 0.00 0.00 32.46 32.48 3fz5 n ARG 73 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3fz5 n GLY 74 N 0.28 0.24 3.52 5.14 0.00 -0.14 -5.04 105.19 109.19 3fz5 n GLY 74 Ca 0.00 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 3fz5 n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fz5 s LEU 75 N -3.93 2.82 -0.03 0.99 1.43 -0.26 -5.04 118.68 114.66 3fz5 s LEU 75 Ca 0.25 -0.45 -0.23 0.00 -1.03 0.00 0.00 54.13 52.66 3fz5 s LEU 75 Cb -0.11 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 3fz5 s LEU 75 CO 0.34 0.20 0.69 -0.89 0.23 0.00 0.00 176.35 176.92 3fz5 s THR 76 N -1.11 4.94 -0.17 5.49 2.01 -1.26 -4.45 115.64 121.08 3fz5 s THR 76 Ca 0.18 1.45 -0.04 0.00 0.31 0.00 0.00 61.69 63.59 3fz5 s THR 76 Cb -0.11 -4.04 0.07 0.00 0.01 0.00 0.00 72.50 68.44 3fz5 s THR 76 CO 0.10 0.31 0.15 0.12 -0.69 0.00 0.00 174.62 174.62 3fz5 s PHE 77 N 0.38 -0.06 -0.37 4.92 5.36 -1.26 -4.91 117.98 122.05 3fz5 s PHE 77 Ca 0.36 0.04 0.03 0.00 -0.96 0.00 0.00 56.93 56.39 3fz5 s PHE 77 Cb -0.18 -0.50 0.15 0.00 -0.34 0.00 0.00 43.02 42.15 3fz5 s PHE 77 CO 0.19 -0.52 0.35 0.50 -1.46 0.00 0.00 175.22 174.28 3fz5 s ARG 78 N 2.24 0.62 0.61 10.12 3.52 0.31 -5.01 118.95 131.36 3fz5 s ARG 78 Ca 0.04 -0.93 -0.15 0.00 -0.13 0.00 0.00 55.73 54.56 3fz5 s ARG 78 Cb -0.15 -0.82 -0.03 0.00 -1.56 0.00 0.00 34.95 32.40 3fz5 s ARG 78 CO -0.10 -1.20 1.07 -2.14 -0.81 0.00 0.00 175.30 172.13 3fz5 s PRO 79 N 1.38 3.17 0.85 5.12 0.02 -1.26 -1.10 135.00 143.18 3fz5 s PRO 79 Ca 0.17 1.26 -0.11 0.00 0.02 0.00 0.00 61.00 62.34 3fz5 s PRO 79 Cb -0.16 -2.01 0.10 0.00 0.02 0.00 0.00 34.50 32.45 3fz5 s PRO 79 CO -0.03 -0.94 1.09 -1.25 -0.33 0.00 0.00 177.00 175.54 3fz5 s PRO 80 N -4.09 1.60 0.40 5.54 0.04 -1.26 -4.78 135.00 132.44 3fz5 s PRO 80 Ca 0.64 1.01 0.12 0.00 0.04 0.00 0.00 61.00 62.81 3fz5 s PRO 80 Cb -0.17 -1.83 0.93 0.00 0.04 0.00 0.00 34.50 33.47 3fz5 s PRO 80 CO 0.38 -2.06 1.92 0.00 0.04 0.00 0.00 177.00 177.28 3fz5 h ALA 81 N -1.42 1.96 -0.79 8.56 0.00 -1.98 -2.26 119.26 123.33 3fz5 h ALA 81 Ca -0.47 -0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.01 3fz5 h ALA 81 Cb 1.26 -0.10 -0.25 0.00 0.00 0.00 0.00 17.79 18.70 3fz5 h ALA 81 CO 0.52 -0.15 0.39 -0.40 0.00 0.00 0.00 179.25 179.62 3fz5 n ASP 82 N -4.50 3.86 -4.76 0.00 5.68 -1.26 -4.98 116.55 110.59 3fz5 n ASP 82 Ca 0.14 -3.70 -0.41 0.00 -0.50 0.00 0.00 54.79 50.32 3fz5 n ASP 82 Cb 0.44 -0.77 -0.01 0.00 -1.14 0.00 0.00 41.12 39.64 3fz5 n ASP 82 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 3fz5 s HIS 83 N -3.36 2.73 -0.10 2.11 2.46 -0.85 -3.92 115.29 114.35 3fz5 s HIS 83 Ca 0.54 0.89 -0.13 0.00 0.47 0.00 0.00 55.06 56.83 3fz5 s HIS 83 Cb 0.46 -4.04 -0.05 0.00 -0.13 0.00 0.00 32.58 28.82 3fz5 s HIS 83 CO 0.06 -3.38 0.31 -1.25 -2.47 0.00 0.00 174.74 168.00 3fz5 s PRO 84 N -0.88 3.99 0.71 2.88 0.04 -1.26 -5.04 135.00 135.44 3fz5 s PRO 84 Ca 0.60 0.18 -0.13 0.00 0.04 0.00 0.00 61.00 61.70 3fz5 s PRO 84 Cb -0.47 -3.31 0.03 0.00 0.04 0.00 0.00 34.50 30.78 3fz5 s PRO 84 CO 0.51 0.49 1.10 -1.01 0.04 0.00 0.00 177.00 178.13 3fz5 s HIS 85 N -0.33 2.61 -0.59 0.56 3.76 -1.25 -4.98 115.29 115.08 3fz5 s HIS 85 Ca 0.19 1.55 -0.23 0.00 -0.15 0.00 0.00 55.06 56.42 3fz5 s HIS 85 Cb -0.14 -3.11 0.05 0.00 1.11 0.00 0.00 32.58 30.49 3fz5 s HIS 85 CO 0.07 -1.73 0.90 0.08 -0.85 0.00 0.00 174.74 173.22 3fz5 s VAL 86 N -2.61 4.43 -0.04 -0.90 1.01 -1.26 -4.72 120.40 116.32 3fz5 s VAL 86 Ca 0.64 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.52 3fz5 s VAL 86 Cb -0.19 -4.56 -0.09 0.00 0.00 0.00 0.00 36.38 31.54 3fz5 s VAL 86 CO 0.48 -1.20 2.69 0.00 0.00 0.00 0.00 175.10 177.07 3fz5 n ALA 87 N 7.37 5.13 0.11 5.51 0.00 -1.26 -3.72 120.51 133.65 3fz5 n ALA 87 Ca -0.02 -0.97 -0.13 0.00 0.00 0.00 0.00 53.44 52.32 3fz5 n ALA 87 Cb 0.46 -1.60 -0.08 0.00 0.00 0.00 0.00 19.45 18.24 3fz5 n ALA 87 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3fz5 h LEU 88 N 3.81 -0.18 -0.25 0.00 3.38 -1.87 -1.37 115.31 118.82 3fz5 h LEU 88 Ca 0.11 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3fz5 h LEU 88 Cb 1.19 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 3fz5 h LEU 88 CO 0.18 -0.06 0.02 0.00 0.09 0.00 0.00 178.44 178.68 3fz5 h ALA 89 N 0.54 0.33 -0.73 1.53 0.00 -1.76 0.51 119.26 119.68 3fz5 h ALA 89 Ca -0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3fz5 h ALA 89 Cb 0.23 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3fz5 h ALA 89 CO 0.04 0.03 0.45 0.00 0.00 0.00 0.00 179.25 179.77 3fz5 h ALA 90 N 0.84 0.94 -0.33 0.00 0.00 -1.47 -0.19 119.26 119.04 3fz5 h ALA 90 Ca 0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3fz5 h ALA 90 Cb 0.36 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3fz5 h ALA 90 CO 0.01 0.40 0.11 1.15 0.00 0.00 0.00 179.25 180.91 3fz5 h THR 91 N 1.00 1.20 -0.71 0.00 2.02 -0.98 -1.35 112.91 114.09 3fz5 h THR 91 Ca 0.26 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.79 3fz5 h THR 91 Cb -0.05 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 3fz5 h THR 91 CO -0.05 0.23 0.46 0.03 0.37 0.00 0.00 175.52 176.56 3fz5 h ARG 92 N 0.38 0.95 -0.35 6.66 3.08 -0.77 -2.97 114.38 121.35 3fz5 h ARG 92 Ca 0.11 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.12 3fz5 h ARG 92 Cb 0.24 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 3fz5 h ARG 92 CO -0.00 0.64 0.18 0.00 -1.07 0.00 0.00 179.97 179.71 3fz5 h ALA 93 N 1.25 0.43 -0.28 0.04 0.00 -0.78 -0.88 119.26 119.05 3fz5 h ALA 93 Ca 0.26 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.23 3fz5 h ALA 93 Cb -0.09 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.56 3fz5 h ALA 93 CO -0.05 -0.19 -0.47 0.35 0.00 0.00 0.00 179.25 178.89 3fz5 h PHE 94 N 0.36 -1.38 -0.01 0.00 3.57 -1.14 0.73 116.94 119.08 3fz5 h PHE 94 Ca 0.15 0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 3fz5 h PHE 94 Cb 0.05 0.64 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 3fz5 h PHE 94 CO -0.10 -0.48 -0.22 1.88 -2.23 0.00 0.00 178.31 177.16 3fz5 h TYR 95 N -0.44 0.01 -0.30 0.41 0.05 -1.33 0.48 116.97 115.85 3fz5 h TYR 95 Ca 0.09 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.87 3fz5 h TYR 95 Cb 0.62 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.34 3fz5 h TYR 95 CO -0.59 0.24 0.18 2.35 -1.05 0.00 0.00 178.16 179.29 3fz5 h TRP 96 N 0.01 0.40 0.02 4.88 7.01 -0.16 -1.10 115.95 127.01 3fz5 h TRP 96 Ca 0.00 -0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.00 3fz5 h TRP 96 Cb 0.40 -0.13 0.00 0.00 -2.10 0.00 0.00 29.16 27.33 3fz5 h TRP 96 CO 0.00 0.29 -0.01 0.82 -2.79 0.00 0.00 178.44 176.76 3fz5 h ILE 97 N 0.39 1.26 -0.81 2.65 2.04 0.16 -2.95 117.51 120.25 3fz5 h ILE 97 Ca 0.11 -0.84 0.19 0.00 1.00 0.00 0.00 64.86 65.32 3fz5 h ILE 97 Cb 0.01 1.82 -0.12 0.00 -0.74 0.00 0.00 36.82 37.80 3fz5 h ILE 97 CO -0.02 0.22 0.25 -0.08 0.00 0.00 0.00 178.15 178.52 3fz5 h GLU 98 N -0.38 0.30 -0.98 2.37 4.81 -0.02 0.40 114.58 121.08 3fz5 h GLU 98 Ca -0.00 -0.02 0.23 0.00 -0.13 0.00 0.00 59.36 59.44 3fz5 h GLU 98 Cb 0.37 -0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.60 3fz5 h GLU 98 CO 0.00 0.20 0.64 0.00 -0.73 0.00 0.00 179.01 179.12 3fz5 h ALA 99 N 1.66 2.19 0.02 2.92 0.00 -1.02 -2.90 119.26 122.13 3fz5 h ALA 99 Ca 0.48 0.04 -0.20 0.00 0.00 0.00 0.00 54.91 55.23 3fz5 h ALA 99 Cb 0.86 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3fz5 h ALA 99 CO -0.53 -0.54 -1.08 1.96 0.00 0.00 0.00 179.25 179.06 3fz5 h GLN 100 N 0.43 0.03 -2.29 0.00 1.08 -0.34 -3.46 115.11 110.56 3fz5 h GLN 100 Ca 0.54 -0.06 -0.28 0.00 -1.45 0.00 0.00 58.65 57.41 3fz5 h GLN 100 Cb 1.32 0.02 -0.34 0.00 -0.05 0.00 0.00 27.48 28.44 3fz5 h GLN 100 CO -0.24 1.03 -0.59 0.45 -0.95 0.00 0.00 178.83 178.53 3fz5 s SER 101 N -6.77 1.13 0.49 1.46 0.15 0.04 -5.02 113.70 105.18 3fz5 s SER 101 Ca -0.26 -0.20 0.28 0.00 0.70 0.00 0.00 55.95 56.47 3fz5 s SER 101 Cb 0.04 0.60 1.36 0.00 -1.71 0.00 0.00 66.02 66.31 3fz5 s SER 101 CO 0.63 -0.33 1.85 -0.65 1.20 0.00 0.00 173.24 175.94 3fz5 h PRO 102 N 8.27 0.13 -0.10 5.44 0.11 -1.78 -1.96 132.00 142.11 3fz5 h PRO 102 Ca -0.17 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.71 3fz5 h PRO 102 Cb 1.14 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 32.23 3fz5 h PRO 102 CO 0.29 0.09 -0.79 -0.44 -0.21 0.00 0.00 178.00 176.94 3fz5 h ASP 103 N 0.14 0.87 0.17 -2.05 3.32 -1.94 -2.27 116.42 114.66 3fz5 h ASP 103 Ca 0.48 -0.66 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 3fz5 h ASP 103 Cb 1.66 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.95 3fz5 h ASP 103 CO -0.08 1.40 -0.15 0.00 -1.72 0.00 0.00 179.24 178.69 3fz5 h ALA 104 N 0.49 1.69 -0.16 3.45 0.00 -1.75 -2.40 119.26 120.59 3fz5 h ALA 104 Ca -0.07 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 3fz5 h ALA 104 Cb 1.43 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.20 3fz5 h ALA 104 CO 0.16 0.19 -0.55 0.00 0.00 0.00 0.00 179.25 179.05 3fz5 h ALA 105 N 1.85 0.28 0.03 0.00 0.00 -0.97 0.71 119.26 121.16 3fz5 h ALA 105 Ca -0.00 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 3fz5 h ALA 105 Cb 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3fz5 h ALA 105 CO 0.02 0.49 -0.02 1.15 0.00 0.00 0.00 179.25 180.90 3fz5 h THR 106 N 0.33 0.99 -0.31 0.00 2.02 -1.27 0.21 112.91 114.87 3fz5 h THR 106 Ca -0.02 -0.06 0.03 0.00 0.77 0.00 0.00 66.41 67.12 3fz5 h THR 106 Cb 1.18 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 68.58 3fz5 h THR 106 CO 0.12 0.02 0.12 0.00 0.37 0.00 0.00 175.52 176.14 3fz5 h ALA 107 N 0.89 0.36 -0.64 6.16 0.00 -1.36 0.02 119.26 124.69 3fz5 h ALA 107 Ca -0.00 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.02 3fz5 h ALA 107 Cb 0.06 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 3fz5 h ALA 107 CO 0.01 -0.28 0.29 0.35 0.00 0.00 0.00 179.25 179.62 3fz5 h PHE 108 N 0.26 0.52 -0.71 0.00 3.57 -0.62 -1.65 116.94 118.31 3fz5 h PHE 108 Ca 0.13 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 3fz5 h PHE 108 Cb 0.09 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 3fz5 h PHE 108 CO -0.12 0.18 0.33 0.00 -2.23 0.00 0.00 178.31 176.47 3fz5 h ALA 109 N 1.40 1.25 -0.19 2.41 0.00 0.52 -1.64 119.26 123.01 3fz5 h ALA 109 Ca 0.31 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 3fz5 h ALA 109 Cb 0.33 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3fz5 h ALA 109 CO -0.26 0.57 -0.32 1.96 0.00 0.00 0.00 179.25 181.20 3fz5 h GLN 110 N 1.01 0.38 -0.25 0.00 4.20 -0.68 -2.51 115.11 117.27 3fz5 h GLN 110 Ca 0.24 -0.16 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 3fz5 h GLN 110 Cb 0.12 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3fz5 h GLN 110 CO -0.03 0.66 -0.04 -0.09 -0.67 0.00 0.00 178.83 178.67 3fz5 h ARG 111 N 0.33 0.46 -0.32 1.46 9.65 -0.73 -2.16 114.38 123.07 3fz5 h ARG 111 Ca 0.04 -0.17 0.03 0.00 -1.10 0.00 0.00 59.98 58.78 3fz5 h ARG 111 Cb 0.73 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.25 3fz5 h ARG 111 CO 0.06 0.67 0.15 0.28 2.80 0.00 0.00 179.97 183.92 3fz5 h VAL 112 N 0.21 0.97 -0.12 0.20 2.07 -1.20 -0.52 116.25 117.85 3fz5 h VAL 112 Ca 0.07 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.48 3fz5 h VAL 112 Cb 0.48 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3fz5 h VAL 112 CO 0.02 0.06 0.05 -0.26 0.02 0.00 0.00 177.57 177.46 3fz5 h PHE 113 N 0.31 0.10 -0.30 1.57 0.04 -1.39 0.52 116.94 117.79 3fz5 h PHE 113 Ca 0.14 0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.96 3fz5 h PHE 113 Cb 0.07 -0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.14 3fz5 h PHE 113 CO -0.11 0.06 0.02 0.22 -0.60 0.00 0.00 178.31 177.90 3fz5 h ASP 114 N 0.12 -0.08 0.18 2.17 1.82 -1.12 0.58 116.42 120.08 3fz5 h ASP 114 Ca 0.05 0.06 -0.28 0.00 -0.39 0.00 0.00 57.03 56.47 3fz5 h ASP 114 Cb 0.01 0.11 0.03 0.00 0.68 0.00 0.00 39.33 40.16 3fz5 h ASP 114 CO -0.04 -0.01 -1.19 -0.07 -1.61 0.00 0.00 179.24 176.32 3fz5 h LEU 115 N 0.11 0.74 -0.85 2.28 3.38 -0.85 -2.55 115.31 117.57 3fz5 h LEU 115 Ca 0.15 -0.90 -0.00 0.00 0.09 0.00 0.00 57.88 57.21 3fz5 h LEU 115 Cb 0.18 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 3fz5 h LEU 115 CO -0.23 1.58 0.53 0.22 0.09 0.00 0.00 178.44 180.62 3fz5 h TYR 116 N 0.01 1.11 -0.39 1.13 3.20 0.11 -0.71 116.97 121.43 3fz5 h TYR 116 Ca -0.20 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.67 3fz5 h TYR 116 Cb 1.92 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 39.82 3fz5 h TYR 116 CO 0.15 0.73 0.00 1.19 -1.64 0.00 0.00 178.16 178.59 3fz5 n PHE 117 N -4.44 1.01 -0.85 -3.82 3.72 0.19 -2.32 117.46 110.94 3fz5 n PHE 117 Ca 0.09 -0.39 0.07 0.00 -0.05 0.00 0.00 57.45 57.18 3fz5 n PHE 117 Cb 0.05 -0.21 0.10 0.00 -0.94 0.00 0.00 39.48 38.48 3fz5 n PHE 117 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3fz5 n SER 118 N 0.56 2.19 -2.08 4.37 3.41 -0.84 -0.53 113.62 120.71 3fz5 n SER 118 Ca 0.16 -2.80 -0.11 0.00 -0.26 0.00 0.00 58.87 55.86 3fz5 n SER 118 Cb 0.65 -0.32 0.04 0.00 -0.26 0.00 0.00 64.21 64.32 3fz5 n SER 118 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3fz5 n ASP 119 N -1.18 -3.55 0.00 4.04 2.03 -0.26 -4.90 116.55 112.73 3fz5 n ASP 119 Ca 0.12 -0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.15 3fz5 n ASP 119 Cb 0.55 -2.76 0.00 0.00 -0.72 0.00 0.00 41.12 38.20 3fz5 n ASP 119 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3fz5 n ARG 120 N -2.68 0.45 -3.69 -0.67 1.74 -0.33 -4.94 116.66 106.55 3fz5 n ARG 120 Ca -0.04 -0.62 -0.12 0.00 -0.77 0.00 0.00 57.85 56.30 3fz5 n ARG 120 Cb 0.55 -0.58 -0.12 0.00 -1.02 0.00 0.00 32.46 31.28 3fz5 n ARG 120 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3fz5 s LEU 121 N -0.16 -0.09 -0.57 0.55 2.96 -1.22 -4.86 118.68 115.29 3fz5 s LEU 121 Ca 0.00 0.67 -0.25 0.00 -0.22 0.00 0.00 54.13 54.33 3fz5 s LEU 121 Cb 0.00 0.90 0.04 0.00 0.50 0.00 0.00 46.19 47.63 3fz5 s LEU 121 CO 0.00 -0.21 1.00 -0.62 -1.32 0.00 0.00 176.35 175.20 3fz5 s ASP 122 N 1.92 6.34 0.00 3.68 2.15 -1.26 -4.62 116.67 124.89 3fz5 s ASP 122 Ca -0.04 -0.30 0.28 0.00 0.43 0.00 0.00 52.55 52.91 3fz5 s ASP 122 Cb -0.11 -2.46 1.37 0.00 -0.30 0.00 0.00 42.92 41.42 3fz5 s ASP 122 CO -0.10 -1.31 1.94 0.35 -0.17 0.00 0.00 175.17 175.88 3fz5 n THR 123 N 6.28 0.10 0.50 1.71 -2.24 -1.26 -2.69 114.28 116.68 3fz5 n THR 123 Ca 0.03 0.03 0.12 0.00 -2.27 0.00 0.00 64.05 61.96 3fz5 n THR 123 Cb 0.48 -0.57 0.22 0.00 -2.10 0.00 0.00 70.33 68.35 3fz5 n THR 123 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fz5 h ALA 124 N 3.26 0.72 -2.62 6.98 0.00 -1.90 -2.49 119.26 123.21 3fz5 h ALA 124 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 3fz5 h ALA 124 Cb 0.29 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.91 3fz5 h ALA 124 CO 0.00 0.00 -0.30 0.45 0.00 0.00 0.00 179.25 179.40 3fz5 s SER 125 N -4.62 6.18 0.25 0.00 0.15 -1.09 -4.39 113.70 110.17 3fz5 s SER 125 Ca 0.07 -0.18 -0.04 0.00 0.70 0.00 0.00 55.95 56.50 3fz5 s SER 125 Cb 0.12 -2.19 0.46 0.00 -1.71 0.00 0.00 66.02 62.69 3fz5 s SER 125 CO 0.69 -0.31 1.75 -0.65 1.20 0.00 0.00 173.24 175.91 3fz5 h PRO 126 N 8.44 0.51 -0.04 5.44 0.11 -1.89 -1.05 132.00 143.52 3fz5 h PRO 126 Ca -0.30 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.78 3fz5 h PRO 126 Cb 1.15 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 3fz5 h PRO 126 CO 0.68 0.33 0.02 1.49 -0.21 0.00 0.00 178.00 180.32 3fz5 h GLU 127 N 0.52 0.06 -0.58 1.05 4.81 -1.95 -1.47 114.58 117.02 3fz5 h GLU 127 Ca 0.42 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.58 3fz5 h GLU 127 Cb 0.59 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 3fz5 h GLU 127 CO -0.37 0.14 0.15 0.00 -0.73 0.00 0.00 179.01 178.20 3fz5 h ALA 128 N 0.91 0.76 -0.55 2.92 0.00 -1.76 -2.77 119.26 118.77 3fz5 h ALA 128 Ca 0.01 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3fz5 h ALA 128 Cb 0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3fz5 h ALA 128 CO -0.00 0.46 0.19 0.28 0.00 0.00 0.00 179.25 180.17 3fz5 h VAL 129 N 0.83 1.23 0.00 0.00 2.07 -1.20 -2.75 116.25 116.43 3fz5 h VAL 129 Ca 0.18 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.93 3fz5 h VAL 129 Cb 0.34 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 3fz5 h VAL 129 CO 0.00 0.29 0.00 -1.54 0.02 0.00 0.00 177.57 176.34 3fz5 n SER 130 N -4.46 0.53 0.14 0.57 3.41 -0.56 -1.20 113.62 112.05 3fz5 n SER 130 Ca 0.03 0.68 0.13 0.00 -0.26 0.00 0.00 58.87 59.44 3fz5 n SER 130 Cb 0.19 -0.77 0.48 0.00 -0.26 0.00 0.00 64.21 63.85 3fz5 n SER 130 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3fz5 h ARG 131 N 0.00 0.00 0.00 4.33 3.08 -1.38 -2.98 114.38 117.43 3fz5 h ARG 131 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3fz5 h ARG 131 Cb 0.19 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 3fz5 h ARG 131 CO 0.00 0.00 -0.06 -0.07 -1.07 0.00 0.00 179.97 178.77 3fz5 h LEU 132 N 0.00 0.00 -0.76 3.04 4.07 -1.32 -3.38 115.31 116.96 3fz5 h LEU 132 Ca 0.00 0.00 0.17 0.00 0.08 0.00 0.00 57.88 58.13 3fz5 h LEU 132 Cb 0.50 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 42.11 3fz5 h LEU 132 CO 0.00 0.06 0.09 1.23 -1.08 0.00 0.00 178.44 178.74 3fz5 h GLY 133 N 3.25 0.95 0.16 0.83 0.00 -1.70 -1.73 103.07 104.84 3fz5 h GLY 133 Ca -0.00 0.05 0.19 0.00 0.00 0.00 0.00 47.33 47.57 3fz5 h GLY 133 CO 0.01 -0.27 0.61 -2.55 0.00 0.00 0.00 176.54 174.34 3fz5 h PRO 134 N 0.16 0.68 -1.11 4.80 0.10 -1.66 -0.67 132.00 134.30 3fz5 h PRO 134 Ca 0.43 -0.04 0.31 0.00 0.10 0.00 0.00 66.00 66.80 3fz5 h PRO 134 Cb 0.76 -0.15 -0.06 0.00 0.10 0.00 0.00 31.00 31.65 3fz5 h PRO 134 CO -0.61 0.45 0.78 1.49 0.10 0.00 0.00 178.00 180.21 3fz5 h GLU 135 N 0.70 0.11 -0.12 1.05 4.81 -1.60 -1.26 114.58 118.27 3fz5 h GLU 135 Ca 0.56 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.73 3fz5 h GLU 135 Cb 0.95 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.28 3fz5 h GLU 135 CO -0.34 0.07 -0.23 1.33 -0.73 0.00 0.00 179.01 179.11 3fz5 n VAL 136 N -4.32 2.24 0.00 0.32 0.24 -0.29 -4.99 118.33 111.53 3fz5 n VAL 136 Ca 0.25 -2.77 0.00 0.00 -2.04 0.00 0.00 64.34 59.78 3fz5 n VAL 136 Cb 1.12 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 33.22 3fz5 n VAL 136 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fz5 n GLY 137 N -1.13 1.94 3.77 7.63 0.00 -0.48 -4.99 105.19 111.92 3fz5 n GLY 137 Ca 0.22 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 3fz5 n GLY 137 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fz5 s LEU 138 N 0.00 4.41 0.05 0.99 1.43 -1.01 -4.73 118.68 119.83 3fz5 s LEU 138 Ca 0.00 2.72 -0.30 0.00 -1.03 0.00 0.00 54.13 55.52 3fz5 s LEU 138 Cb 0.00 -3.65 -0.05 0.00 0.03 0.00 0.00 46.19 42.53 3fz5 s LEU 138 CO 0.00 -0.60 1.04 -1.83 0.23 0.00 0.00 176.35 175.19 3fz5 s GLU 139 N -1.57 4.56 0.16 1.70 4.04 -1.26 -2.49 118.70 123.83 3fz5 s GLU 139 Ca 0.51 1.55 -0.29 0.00 0.04 0.00 0.00 54.97 56.78 3fz5 s GLU 139 Cb -0.41 -3.40 -0.02 0.00 0.02 0.00 0.00 34.13 30.32 3fz5 s GLU 139 CO 0.52 -0.04 1.55 -1.35 -1.84 0.00 0.00 175.26 174.11 3fz5 h PRO 140 N 6.39 -0.21 -0.86 -4.83 0.11 -1.92 -0.33 132.00 130.36 3fz5 h PRO 140 Ca -0.42 0.01 0.18 0.00 0.11 0.00 0.00 66.00 65.89 3fz5 h PRO 140 Cb 1.22 0.05 -0.16 0.00 0.11 0.00 0.00 31.00 32.21 3fz5 h PRO 140 CO 0.76 -0.14 -0.17 0.39 -0.21 0.00 0.00 178.00 178.62 3fz5 n GLU 141 N -5.37 -0.08 -0.11 1.05 1.02 -1.26 -0.53 120.64 115.36 3fz5 n GLU 141 Ca 0.01 1.33 -0.11 0.00 -0.02 0.00 0.00 57.16 58.36 3fz5 n GLU 141 Cb 0.33 -2.00 -0.03 0.00 -0.02 0.00 0.00 31.44 29.72 3fz5 n GLU 141 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fz5 h ALA 142 N 1.71 0.44 0.02 0.62 0.00 -1.46 -1.32 119.26 119.27 3fz5 h ALA 142 Ca 0.43 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3fz5 h ALA 142 Cb 0.70 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3fz5 h ALA 142 CO -0.87 0.28 -0.06 1.25 0.00 0.00 0.00 179.25 179.85 3fz5 h LEU 143 N 0.39 -0.16 -0.45 0.00 6.46 -0.56 0.90 115.31 121.89 3fz5 h LEU 143 Ca 0.08 0.02 0.09 0.00 -0.12 0.00 0.00 57.88 57.95 3fz5 h LEU 143 Cb 0.58 0.07 -0.09 0.00 -0.73 0.00 0.00 40.66 40.48 3fz5 h LEU 143 CO 0.03 -0.09 -0.21 -0.07 -0.62 0.00 0.00 178.44 177.49 3fz5 h LEU 144 N -0.11 -0.71 -0.61 2.25 3.38 -0.64 -0.14 115.31 118.73 3fz5 h LEU 144 Ca 0.02 0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.17 3fz5 h LEU 144 Cb 0.13 0.39 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3fz5 h LEU 144 CO -0.05 -0.24 0.40 0.00 0.09 0.00 0.00 178.44 178.65 3fz5 h ALA 145 N 1.20 0.78 -0.90 1.53 0.00 -0.98 -2.75 119.26 118.14 3fz5 h ALA 145 Ca 0.21 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3fz5 h ALA 145 Cb 0.45 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 3fz5 h ALA 145 CO -0.52 0.18 0.59 0.78 0.00 0.00 0.00 179.25 180.28 3fz5 h GLY 146 N 0.80 1.28 1.57 0.00 0.00 0.79 -1.59 103.07 105.93 3fz5 h GLY 146 Ca 0.23 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3fz5 h GLY 146 CO -0.07 0.42 -0.24 0.29 0.00 0.00 0.00 176.54 176.93 3fz5 n ILE 147 N -4.42 0.14 1.43 2.60 -5.35 -0.23 -2.98 119.36 110.56 3fz5 n ILE 147 Ca 0.11 -0.08 0.13 0.00 -0.27 0.00 0.00 62.75 62.64 3fz5 n ILE 147 Cb 0.07 -0.23 0.49 0.00 -1.74 0.00 0.00 39.64 38.23 3fz5 n ILE 147 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3fz5 n ALA 148 N -1.59 2.56 -2.48 -1.28 0.00 -0.65 -4.78 120.51 112.29 3fz5 n ALA 148 Ca 0.06 -0.46 -0.42 0.00 0.00 0.00 0.00 53.44 52.61 3fz5 n ALA 148 Cb 0.37 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 3fz5 n ALA 148 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3fz5 s ASP 149 N -1.88 7.12 0.10 0.00 2.15 -0.87 -4.96 116.67 118.32 3fz5 s ASP 149 Ca 0.37 1.89 -0.23 0.00 0.43 0.00 0.00 52.55 55.01 3fz5 s ASP 149 Cb 0.20 -2.57 -0.13 0.00 -0.30 0.00 0.00 42.92 40.12 3fz5 s ASP 149 CO 0.32 -0.47 1.73 -0.65 -0.17 0.00 0.00 175.17 175.92 3fz5 h PRO 150 N 7.01 -0.06 -0.72 4.34 0.11 -1.90 -1.84 132.00 138.95 3fz5 h PRO 150 Ca -0.39 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.82 3fz5 h PRO 150 Cb 1.20 0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 3fz5 h PRO 150 CO 0.82 -0.04 0.36 0.00 -0.21 0.00 0.00 178.00 178.93 3fz5 h ALA 151 N 0.93 0.99 -0.61 -0.75 0.00 -1.96 -0.92 119.26 116.94 3fz5 h ALA 151 Ca 0.01 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3fz5 h ALA 151 Cb 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3fz5 h ALA 151 CO -0.03 -0.05 0.14 1.25 0.00 0.00 0.00 179.25 180.57 3fz5 h LEU 152 N 0.60 0.93 -1.08 0.00 5.85 -1.83 -1.38 115.31 118.40 3fz5 h LEU 152 Ca 0.35 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.91 3fz5 h LEU 152 Cb 0.38 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 3fz5 h LEU 152 CO -0.27 0.93 0.62 0.11 -0.34 0.00 0.00 178.44 179.48 3fz5 h LYS 153 N 0.89 1.05 -0.17 1.25 1.57 -0.47 -0.81 116.57 119.89 3fz5 h LYS 153 Ca 0.19 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3fz5 h LYS 153 Cb 0.36 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3fz5 h LYS 153 CO 0.00 0.69 0.10 1.49 -0.57 0.00 0.00 179.45 181.17 3fz5 h GLU 154 N 1.08 0.23 -0.58 3.15 4.57 -0.96 -2.35 114.58 119.71 3fz5 h GLU 154 Ca 0.42 -0.02 0.12 0.00 -1.18 0.00 0.00 59.36 58.69 3fz5 h GLU 154 Cb 0.22 -0.05 -0.11 0.00 -0.16 0.00 0.00 28.75 28.65 3fz5 h GLU 154 CO -0.17 0.19 -0.14 1.15 -1.18 0.00 0.00 179.01 178.87 3fz5 h THR 155 N 0.19 0.42 -0.11 0.32 2.02 -0.08 0.60 112.91 116.28 3fz5 h THR 155 Ca 0.06 -0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.14 3fz5 h THR 155 Cb 0.02 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 3fz5 h THR 155 CO -0.01 0.00 -0.35 0.58 0.37 0.00 0.00 175.52 176.11 3fz5 h VAL 156 N 0.00 1.28 -0.45 3.16 2.07 -1.16 -1.34 116.25 119.82 3fz5 h VAL 156 Ca 0.28 -1.36 -0.14 0.00 0.82 0.00 0.00 66.70 66.30 3fz5 h VAL 156 Cb 0.43 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 3fz5 h VAL 156 CO -0.60 0.41 -0.25 -0.09 0.02 0.00 0.00 177.57 177.07 3fz5 h ARG 157 N 0.19 0.96 -0.33 1.57 2.43 -0.69 -2.76 114.38 115.75 3fz5 h ARG 157 Ca 0.02 -0.43 -0.10 0.00 -0.81 0.00 0.00 59.98 58.66 3fz5 h ARG 157 Cb 0.72 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 3fz5 h ARG 157 CO 0.05 1.10 -0.21 0.87 -1.51 0.00 0.00 179.97 180.27 3fz5 h LYS 158 N 0.81 0.63 -0.13 0.20 1.57 -0.59 -2.28 116.57 116.78 3fz5 h LYS 158 Ca 0.10 -0.24 0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3fz5 h LYS 158 Cb 0.83 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 3fz5 h LYS 158 CO 0.07 0.80 0.03 0.82 -0.57 0.00 0.00 179.45 180.60 3fz5 h ILE 159 N 0.56 0.95 -0.04 1.86 5.03 -1.15 0.26 117.51 124.98 3fz5 h ILE 159 Ca 0.08 -0.03 -0.01 0.00 -0.12 0.00 0.00 64.86 64.78 3fz5 h ILE 159 Cb 0.67 0.86 -0.00 0.00 -3.03 0.00 0.00 36.82 35.32 3fz5 h ILE 159 CO 0.05 0.02 -0.03 1.23 -0.68 0.00 0.00 178.15 178.73 3fz5 h GLY 160 N 0.08 0.07 1.17 5.37 0.00 -1.39 -2.34 103.07 106.04 3fz5 h GLY 160 Ca 0.05 -0.03 -0.30 0.00 0.00 0.00 0.00 47.33 47.06 3fz5 h GLY 160 CO -0.07 0.03 -1.29 0.83 0.00 0.00 0.00 176.54 176.04 3fz5 h GLU 161 N 0.06 0.56 -0.77 4.80 5.08 -0.91 -2.71 114.58 120.70 3fz5 h GLU 161 Ca 0.02 -0.84 0.08 0.00 -1.00 0.00 0.00 59.36 57.62 3fz5 h GLU 161 Cb 0.10 0.29 -0.07 0.00 0.50 0.00 0.00 28.75 29.58 3fz5 h GLU 161 CO 0.00 1.39 0.43 0.22 -1.00 0.00 0.00 179.01 180.05 3fz5 h ASP 162 N 0.15 0.62 -0.29 1.42 3.58 -0.35 -1.44 116.42 120.12 3fz5 h ASP 162 Ca -0.21 0.04 -0.06 0.00 0.42 0.00 0.00 57.03 57.22 3fz5 h ASP 162 Cb 1.98 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.95 3fz5 h ASP 162 CO 0.24 0.37 -0.07 0.00 -2.88 0.00 0.00 179.24 176.90 3fz5 h ALA 163 N 1.42 0.40 -0.09 -0.78 0.00 -1.46 -1.67 119.26 117.07 3fz5 h ALA 163 Ca 0.36 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3fz5 h ALA 163 Cb 0.30 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 3fz5 h ALA 163 CO -0.23 0.21 -0.22 0.28 0.00 0.00 0.00 179.25 179.30 3fz5 h VAL 164 N 0.31 0.47 -0.79 0.00 2.07 -1.38 0.15 116.25 117.07 3fz5 h VAL 164 Ca 0.07 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.69 3fz5 h VAL 164 Cb 0.55 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 3fz5 h VAL 164 CO 0.03 0.00 0.52 0.00 0.02 0.00 0.00 177.57 178.14 3fz5 h ALA 165 N 0.64 1.78 -0.35 1.67 0.00 -1.05 -1.04 119.26 120.91 3fz5 h ALA 165 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3fz5 h ALA 165 Cb 0.43 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3fz5 h ALA 165 CO -0.26 0.06 0.00 0.54 0.00 0.00 0.00 179.25 179.58 3fz5 n ARG 166 N -4.51 2.30 -0.80 0.00 1.74 -0.65 -4.89 116.66 109.85 3fz5 n ARG 166 Ca 0.13 -1.46 0.00 0.00 -0.77 0.00 0.00 57.85 55.75 3fz5 n ARG 166 Cb 0.34 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 3fz5 n ARG 166 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fz5 n GLY 167 N 0.81 0.82 3.69 -0.13 0.00 -0.39 -5.01 105.19 104.97 3fz5 n GLY 167 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3fz5 n GLY 167 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fz5 s ILE 168 N -3.17 4.12 0.18 -0.61 1.01 0.49 -4.99 121.20 118.23 3fz5 s ILE 168 Ca 0.00 1.46 -0.02 0.00 0.00 0.00 0.00 60.65 62.08 3fz5 s ILE 168 Cb 0.00 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 3fz5 s ILE 168 CO 0.00 -0.01 0.14 0.72 0.00 0.00 0.00 174.94 175.79 3fz5 s PHE 169 N 2.33 0.97 0.01 3.97 -0.12 -1.26 -4.07 117.98 119.81 3fz5 s PHE 169 Ca 0.58 -1.25 0.00 0.00 -0.05 0.00 0.00 56.93 56.21 3fz5 s PHE 169 Cb -0.26 -0.45 0.00 0.00 -0.63 0.00 0.00 43.02 41.68 3fz5 s PHE 169 CO 0.23 -0.63 0.00 0.41 -0.05 0.00 0.00 175.22 175.17 3fz5 n GLY 170 N -0.22 -0.90 3.62 1.99 0.00 -1.26 -4.67 105.19 103.75 3fz5 n GLY 170 Ca -0.01 -0.94 -0.04 0.00 0.00 0.00 0.00 46.02 45.04 3fz5 n GLY 170 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fz5 s SER 171 N -4.12 -0.73 0.44 1.61 0.15 -1.26 -4.38 113.70 105.40 3fz5 s SER 171 Ca 0.00 1.14 -0.20 0.00 0.70 0.00 0.00 55.95 57.59 3fz5 s SER 171 Cb 0.00 1.42 -0.10 0.00 -1.71 0.00 0.00 66.02 65.62 3fz5 s SER 171 CO 0.00 -0.18 0.94 -2.16 1.20 0.00 0.00 173.24 173.05 3fz5 s PRO 172 N 1.70 4.18 -0.07 5.44 0.04 -1.26 -4.61 135.00 140.41 3fz5 s PRO 172 Ca -0.09 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.03 3fz5 s PRO 172 Cb -0.05 -2.19 0.02 0.00 0.04 0.00 0.00 34.50 32.32 3fz5 s PRO 172 CO -0.17 -0.05 -0.05 0.12 0.04 0.00 0.00 177.00 176.88 3fz5 s PHE 173 N -2.23 1.01 -0.09 0.56 5.36 0.42 -1.30 117.98 121.70 3fz5 s PHE 173 Ca 0.61 -0.37 -0.01 0.00 -0.96 0.00 0.00 56.93 56.20 3fz5 s PHE 173 Cb -0.09 -0.89 -0.03 0.00 -0.34 0.00 0.00 43.02 41.66 3fz5 s PHE 173 CO 0.16 -0.32 -0.02 -0.06 -1.46 0.00 0.00 175.22 173.52 3fz5 s PHE 174 N 1.34 3.07 -0.23 10.12 0.08 0.12 -0.89 117.98 131.59 3fz5 s PHE 174 Ca -0.04 0.06 0.02 0.00 0.12 0.00 0.00 56.93 57.09 3fz5 s PHE 174 Cb -0.14 -1.80 0.05 0.00 -0.57 0.00 0.00 43.02 40.57 3fz5 s PHE 174 CO -0.03 0.34 -0.10 -1.17 -0.10 0.00 0.00 175.22 174.16 3fz5 s LEU 175 N -0.63 2.84 -0.12 -0.37 2.96 -0.31 -0.85 118.68 122.20 3fz5 s LEU 175 Ca 0.10 -1.16 0.01 0.00 -0.22 0.00 0.00 54.13 52.86 3fz5 s LEU 175 Cb -0.12 -1.38 0.02 0.00 0.50 0.00 0.00 46.19 45.21 3fz5 s LEU 175 CO 0.02 -0.17 -0.15 0.54 -1.32 0.00 0.00 176.35 175.27 3fz5 s VAL 176 N 1.26 1.53 -1.52 1.68 0.11 -0.84 -1.42 120.40 121.20 3fz5 s VAL 176 Ca -0.05 -0.64 -0.05 0.00 -2.93 0.00 0.00 61.98 58.31 3fz5 s VAL 176 Cb -0.18 -1.41 0.04 0.00 -1.53 0.00 0.00 36.38 33.30 3fz5 s VAL 176 CO -0.07 0.45 0.40 0.47 -3.33 0.00 0.00 175.10 173.02 3fz5 n ASP 177 N 4.44 -0.68 0.00 3.54 8.00 -1.26 -0.43 116.55 130.16 3fz5 n ASP 177 Ca -0.18 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.24 3fz5 n ASP 177 Cb 0.51 -2.59 0.00 0.00 -0.02 0.00 0.00 41.12 39.01 3fz5 n ASP 177 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3fz5 n ASP 178 N -2.88 -4.97 -4.68 -2.24 8.00 -1.26 -4.98 116.55 103.54 3fz5 n ASP 178 Ca -0.22 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 54.90 3fz5 n ASP 178 Cb 0.64 -3.31 -0.08 0.00 -0.02 0.00 0.00 41.12 38.36 3fz5 n ASP 178 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3fz5 s GLU 179 N -1.82 4.18 0.08 -1.24 2.56 0.42 -5.08 118.70 117.80 3fz5 s GLU 179 Ca 0.00 0.14 -0.12 0.00 0.00 0.00 0.00 54.97 54.99 3fz5 s GLU 179 Cb 0.00 -3.52 -0.06 0.00 2.00 0.00 0.00 34.13 32.55 3fz5 s GLU 179 CO 0.00 0.02 0.45 -1.25 -0.56 0.00 0.00 175.26 173.91 3fz5 s PRO 180 N 1.14 3.87 -0.09 4.30 0.04 -1.26 -1.98 135.00 141.02 3fz5 s PRO 180 Ca 0.18 0.33 -0.03 0.00 0.04 0.00 0.00 61.00 61.52 3fz5 s PRO 180 Cb -0.14 -3.04 0.04 0.00 0.04 0.00 0.00 34.50 31.39 3fz5 s PRO 180 CO 0.07 0.57 0.06 -0.06 0.04 0.00 0.00 177.00 177.68 3fz5 s PHE 181 N -1.33 0.24 -0.23 0.56 0.08 -0.03 -5.00 117.98 112.28 3fz5 s PHE 181 Ca 0.32 -0.02 -0.06 0.00 0.12 0.00 0.00 56.93 57.28 3fz5 s PHE 181 Cb -0.15 -0.62 -0.02 0.00 -0.57 0.00 0.00 43.02 41.66 3fz5 s PHE 181 CO 0.17 -0.32 0.03 -0.46 -0.10 0.00 0.00 175.22 174.54 3fz5 s TRP 182 N 2.11 3.04 0.00 0.36 -0.00 -1.26 0.10 118.94 123.30 3fz5 s TRP 182 Ca 0.04 -0.56 0.00 0.00 -0.00 0.00 0.00 56.10 55.58 3fz5 s TRP 182 Cb -0.13 -2.17 0.00 0.00 -0.00 0.00 0.00 33.47 31.16 3fz5 s TRP 182 CO -0.05 -0.38 0.00 0.41 -0.00 0.00 0.00 176.95 176.93 3fz5 n GLY 183 N 4.75 3.36 0.35 5.86 0.00 -0.42 -4.62 105.19 114.46 3fz5 n GLY 183 Ca -0.17 -1.71 0.04 0.00 0.00 0.00 0.00 46.02 44.17 3fz5 n GLY 183 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3fz5 h TRP 184 N 0.00 0.87 -0.01 1.61 7.01 -1.85 -2.70 115.95 120.88 3fz5 h TRP 184 Ca 0.00 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.02 3fz5 h TRP 184 Cb 0.00 -0.29 0.00 0.00 -2.10 0.00 0.00 29.16 26.77 3fz5 h TRP 184 CO 0.00 0.50 0.00 -0.40 -2.79 0.00 0.00 178.44 175.75 3fz5 n ASP 185 N -4.46 0.10 -4.26 2.65 5.68 -1.26 -4.74 116.55 110.26 3fz5 n ASP 185 Ca 0.10 -1.59 -0.42 0.00 -0.50 0.00 0.00 54.79 52.38 3fz5 n ASP 185 Cb 0.15 -0.01 -0.02 0.00 -1.14 0.00 0.00 41.12 40.10 3fz5 n ASP 185 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 3fz5 s ARG 186 N -1.98 3.89 0.00 0.11 1.81 -1.02 -5.15 118.95 116.60 3fz5 s ARG 186 Ca 0.21 -3.25 0.00 0.00 -1.72 0.00 0.00 55.73 50.97 3fz5 s ARG 186 Cb 0.10 -4.35 0.00 0.00 -0.45 0.00 0.00 34.95 30.25 3fz5 s ARG 186 CO 0.16 -1.25 0.00 0.39 -0.68 0.00 0.00 175.30 173.92 3fz5 n GLU 188 N 2.56 0.00 0.00 3.54 -0.58 -1.26 -4.94 120.64 119.96 3fz5 n GLU 188 Ca 0.23 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 3fz5 n GLU 188 Cb 0.38 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.25 3fz5 n GLU 188 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3fz5 n ALA 191 N -0.12 0.00 0.08 0.62 0.00 -1.26 -4.64 120.51 115.20 3fz5 n ALA 191 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 3fz5 n ALA 191 Cb 0.00 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.68 3fz5 n ALA 191 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3fz5 h GLU 192 N 0.00 0.28 -0.24 0.00 4.57 -1.98 -0.61 114.58 116.59 3fz5 h GLU 192 Ca 0.00 -0.12 -0.06 0.00 -1.18 0.00 0.00 59.36 58.00 3fz5 h GLU 192 Cb 0.00 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 3fz5 h GLU 192 CO 0.00 0.61 -0.06 2.35 -1.18 0.00 0.00 179.01 180.73 3fz5 h TRP 193 N 0.24 0.53 -0.50 0.92 2.91 -1.98 -1.97 115.95 116.10 3fz5 h TRP 193 Ca 0.03 -0.12 -0.03 0.00 1.13 0.00 0.00 58.89 59.90 3fz5 h TRP 193 Cb 0.76 -0.13 -0.02 0.00 -0.51 0.00 0.00 29.16 29.26 3fz5 h TRP 193 CO 0.01 0.70 0.21 0.82 -1.03 0.00 0.00 178.44 179.15 3fz5 h ILE 194 N 0.21 1.21 -0.42 2.65 2.04 -1.89 -0.59 117.51 120.73 3fz5 h ILE 194 Ca 0.06 -0.64 -0.11 0.00 1.00 0.00 0.00 64.86 65.18 3fz5 h ILE 194 Cb 0.53 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 3fz5 h ILE 194 CO 0.03 0.24 -0.17 0.03 0.00 0.00 0.00 178.15 178.28 3fz5 h ARG 195 N 0.67 0.79 0.00 2.37 3.08 -1.10 -3.16 114.38 117.03 3fz5 h ARG 195 Ca 0.17 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.93 3fz5 h ARG 195 Cb 0.18 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3fz5 h ARG 195 CO -0.02 0.90 -0.88 1.79 -1.07 0.00 0.00 179.97 180.70 3fz5 h THR 196 N 0.70 0.00 0.00 2.04 1.35 -1.32 -3.48 112.91 112.21 3fz5 h THR 196 Ca 0.11 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 3fz5 h THR 196 Cb 0.67 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 3fz5 h THR 196 CO 0.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.93 3fz5 n GLY 197 N 1.21 2.46 0.00 5.82 0.00 -0.26 -4.92 105.19 109.51 3fz5 n GLY 197 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3fz5 n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fz5 n GLY 198 N -2.00 2.99 0.00 -0.02 0.00 -1.00 -4.94 105.19 100.22 3fz5 n GLY 198 Ca 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.98 3fz5 n GLY 198 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65