#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 3.18 -0.20 1.20 0.02 -1.26 -4.69 135.00 133.24 3fz5 s PRO 3 Ca 0.00 1.38 -0.29 0.00 0.02 0.00 0.00 61.00 62.11 3fz5 s PRO 3 Cb 0.00 -2.00 -0.02 0.00 0.02 0.00 0.00 34.50 32.49 3fz5 s PRO 3 CO 0.00 -0.95 1.50 0.42 -0.33 0.00 0.00 177.00 177.64 3fz5 s ILE 4 N -2.21 3.87 0.00 2.83 1.01 0.54 -4.65 121.20 122.59 3fz5 s ILE 4 Ca 0.67 1.00 -0.29 0.00 0.00 0.00 0.00 60.65 62.04 3fz5 s ILE 4 Cb -0.20 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 3fz5 s ILE 4 CO 0.35 -0.26 0.91 -1.61 0.00 0.00 0.00 174.94 174.33 3fz5 s GLU 5 N 4.25 4.55 -0.64 2.79 2.02 -0.64 0.32 118.70 131.35 3fz5 s GLU 5 Ca 0.66 1.30 -0.01 0.00 0.02 0.00 0.00 54.97 56.94 3fz5 s GLU 5 Cb -0.24 -3.44 0.16 0.00 0.10 0.00 0.00 34.13 30.71 3fz5 s GLU 5 CO 0.25 0.02 0.44 0.12 0.02 0.00 0.00 175.26 176.12 3fz5 s PHE 6 N 0.78 3.40 -0.08 1.61 5.36 0.23 -2.13 117.98 127.15 3fz5 s PHE 6 Ca 0.48 -2.84 -0.24 0.00 -0.96 0.00 0.00 56.93 53.37 3fz5 s PHE 6 Cb -0.21 -3.13 -0.03 0.00 -0.34 0.00 0.00 43.02 39.31 3fz5 s PHE 6 CO 0.26 -0.81 0.73 -1.58 -1.46 0.00 0.00 175.22 172.37 3fz5 s TRP 7 N -0.27 3.55 0.15 10.12 0.52 0.13 -0.27 118.94 132.86 3fz5 s TRP 7 Ca 0.18 1.26 -0.16 0.00 0.02 0.00 0.00 56.10 57.40 3fz5 s TRP 7 Cb -0.20 -2.85 0.03 0.00 -1.15 0.00 0.00 33.47 29.30 3fz5 s TRP 7 CO -0.04 0.02 0.42 -0.59 0.02 0.00 0.00 176.95 176.78 3fz5 s PHE 8 N 1.07 -0.14 -0.13 -1.98 -0.12 -0.78 -0.58 117.98 115.32 3fz5 s PHE 8 Ca 0.38 -0.19 -0.06 0.00 -0.05 0.00 0.00 56.93 57.01 3fz5 s PHE 8 Cb -0.18 0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.44 3fz5 s PHE 8 CO 0.18 -0.76 0.08 0.34 -0.05 0.00 0.00 175.22 175.01 3fz5 s ASP 9 N -2.83 5.89 0.53 1.98 -1.08 -1.26 -0.62 116.67 119.28 3fz5 s ASP 9 Ca 0.06 0.29 0.22 0.00 -0.52 0.00 0.00 52.55 52.59 3fz5 s ASP 9 Cb 0.01 -1.87 1.44 0.00 -1.46 0.00 0.00 42.92 41.05 3fz5 s ASP 9 CO -0.09 0.35 2.15 -0.26 0.52 0.00 0.00 175.17 177.84 3fz5 h PHE 10 N 5.44 0.00 -0.18 -5.34 -1.00 -1.93 -1.78 116.94 112.15 3fz5 h PHE 10 Ca -0.50 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.28 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 0.05 0.00 0.43 -1.61 0.00 0.00 178.31 177.86 3fz5 n SER 11 N -4.13 2.23 -4.53 2.17 7.64 -1.26 -4.84 113.62 110.90 3fz5 n SER 11 Ca -0.03 -2.24 -0.40 0.00 1.01 0.00 0.00 58.87 57.21 3fz5 n SER 11 Cb 0.14 -0.50 -0.10 0.00 -1.01 0.00 0.00 64.21 62.73 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 -0.33 6.07 0.23 6.43 0.15 -0.67 -4.87 113.70 120.71 3fz5 s SER 12 Ca 0.16 -0.43 -0.06 0.00 0.70 0.00 0.00 55.95 56.32 3fz5 s SER 12 Cb 0.12 -2.14 0.34 0.00 -1.71 0.00 0.00 66.02 62.63 3fz5 s SER 12 CO 0.05 -0.25 1.82 1.23 1.20 0.00 0.00 173.24 177.29 3fz5 h GLY 13 N 8.51 1.20 1.43 9.45 0.00 -1.88 -1.45 103.07 120.33 3fz5 h GLY 13 Ca -0.31 -0.31 -0.12 0.00 0.00 0.00 0.00 47.33 46.59 3fz5 h GLY 13 CO 0.64 0.16 -0.31 -0.97 0.00 0.00 0.00 176.54 176.06 3fz5 h TYR 14 N 0.80 0.74 -0.28 5.60 0.05 -1.92 -2.35 116.97 119.60 3fz5 h TYR 14 Ca 0.37 -0.19 -0.04 0.00 0.05 0.00 0.00 58.73 58.92 3fz5 h TYR 14 Cb 0.28 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.83 3fz5 h TYR 14 CO -0.06 0.88 0.02 0.00 -1.05 0.00 0.00 178.16 177.94 3fz5 h ALA 15 N 1.11 1.51 -0.13 3.88 0.00 -1.69 -1.83 119.26 122.11 3fz5 h ALA 15 Ca 0.06 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3fz5 h ALA 15 Cb 0.80 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3fz5 h ALA 15 CO 0.07 0.36 0.04 0.35 0.00 0.00 0.00 179.25 180.06 3fz5 h PHE 16 N 0.41 0.07 -0.30 0.00 3.57 -0.73 0.90 116.94 120.86 3fz5 h PHE 16 Ca 0.09 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.50 3fz5 h PHE 16 Cb 0.24 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 3fz5 h PHE 16 CO 0.01 0.04 -0.25 0.74 -2.23 0.00 0.00 178.31 176.62 3fz5 h PHE 17 N 0.11 0.67 0.13 0.41 0.04 -1.34 -3.08 116.94 113.87 3fz5 h PHE 17 Ca 0.06 -0.15 -0.01 0.00 2.80 0.00 0.00 57.97 60.67 3fz5 h PHE 17 Cb 0.04 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.03 3fz5 h PHE 17 CO -0.11 0.79 -0.06 0.00 -0.60 0.00 0.00 178.31 178.32 3fz5 h ALA 18 N 1.21 -0.17 -0.05 2.45 0.00 -1.02 -3.26 119.26 118.42 3fz5 h ALA 18 Ca 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3fz5 h ALA 18 Cb 0.70 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.57 3fz5 h ALA 18 CO 0.05 -0.46 0.42 0.00 0.00 0.00 0.00 179.25 179.26 3fz5 n ALA 19 N -2.32 0.31 0.00 0.00 0.00 0.31 -0.82 120.51 117.99 3fz5 n ALA 19 Ca -0.09 -1.77 0.00 0.00 0.00 0.00 0.00 53.44 51.58 3fz5 n ALA 19 Cb 0.20 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.37 3fz5 n ALA 19 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3fz5 n GLN 20 N 6.74 0.00 -0.03 0.00 -0.06 -1.26 -4.61 117.38 118.16 3fz5 n GLN 20 Ca 0.26 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.26 3fz5 n GLN 20 Cb 0.47 0.00 -0.09 0.00 -4.06 0.00 0.00 30.24 26.57 3fz5 n GLN 20 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 3fz5 n ARG 21 N 0.00 1.27 -0.18 3.69 3.00 -0.00 -4.75 116.66 119.69 3fz5 n ARG 21 Ca 0.00 -0.06 -0.02 0.00 -0.00 0.00 0.00 57.85 57.77 3fz5 n ARG 21 Cb 0.00 -1.27 0.08 0.00 0.00 0.00 0.00 32.46 31.27 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 0.86 -0.57 5.15 6.09 -1.40 -1.64 117.51 126.00 3fz5 h ILE 22 Ca -0.14 -0.15 -0.10 0.00 -1.37 0.00 0.00 64.86 63.10 3fz5 h ILE 22 Cb 1.06 0.37 -0.02 0.00 0.47 0.00 0.00 36.82 38.71 3fz5 h ILE 22 CO 0.01 0.08 -0.04 -0.33 -3.07 0.00 0.00 178.15 174.80 3fz5 h GLU 23 N 0.45 1.03 -0.46 2.19 4.39 -1.86 -1.50 114.58 118.83 3fz5 h GLU 23 Ca 0.26 -0.35 -0.13 0.00 0.34 0.00 0.00 59.36 59.48 3fz5 h GLU 23 Cb 0.25 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 3fz5 h GLU 23 CO -0.23 1.04 -0.23 0.00 -1.16 0.00 0.00 179.01 178.43 3fz5 h ALA 24 N 0.96 0.65 -0.24 3.43 0.00 -1.82 -2.00 119.26 120.24 3fz5 h ALA 24 Ca 0.16 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3fz5 h ALA 24 Cb 0.60 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3fz5 h ALA 24 CO 0.04 0.65 0.09 1.25 0.00 0.00 0.00 179.25 181.27 3fz5 h LEU 25 N 0.81 0.33 -0.85 0.00 5.85 -1.16 -0.14 115.31 120.15 3fz5 h LEU 25 Ca 0.10 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 3fz5 h LEU 25 Cb 0.81 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 3fz5 h LEU 25 CO 0.07 0.42 0.29 0.00 -0.34 0.00 0.00 178.44 178.87 3fz5 h ALA 26 N 0.93 1.08 0.04 1.25 0.00 -1.31 -0.21 119.26 121.04 3fz5 h ALA 26 Ca 0.08 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3fz5 h ALA 26 Cb 0.19 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3fz5 h ALA 26 CO -0.01 0.64 -0.18 0.00 0.00 0.00 0.00 179.25 179.70 3fz5 h ALA 27 N 1.21 -0.26 -0.81 0.00 0.00 -1.08 0.65 119.26 118.97 3fz5 h ALA 27 Ca 0.25 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.28 3fz5 h ALA 27 Cb 0.23 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 3fz5 h ALA 27 CO -0.02 -0.69 0.53 0.93 0.00 0.00 0.00 179.25 180.00 3fz5 h GLU 28 N -0.32 0.58 -0.02 0.00 5.08 -0.58 -0.21 114.58 119.11 3fz5 h GLU 28 Ca 0.04 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3fz5 h GLU 28 Cb 0.37 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3fz5 h GLU 28 CO -0.15 0.38 -0.05 1.28 -1.00 0.00 0.00 179.01 179.47 3fz5 n LEU 29 N -4.52 1.64 -3.01 1.33 4.77 -0.13 -4.96 117.00 112.12 3fz5 n LEU 29 Ca 0.15 -0.54 -0.17 0.00 -0.03 0.00 0.00 56.01 55.43 3fz5 n LEU 29 Cb 0.45 -0.02 0.07 0.00 -2.33 0.00 0.00 43.42 41.59 3fz5 n LEU 29 CO 0.31 0.28 0.14 0.61 -1.33 0.00 0.00 177.39 177.40 3fz5 n GLY 30 N 1.23 -0.24 3.41 -0.72 0.00 0.12 -5.01 105.19 103.98 3fz5 n GLY 30 Ca 0.17 0.04 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 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 -5.55 1.52 0.31 1.61 1.81 0.18 -4.99 118.95 113.84 3fz5 s ARG 31 Ca 0.22 -1.78 0.03 0.00 -1.72 0.00 0.00 55.73 52.47 3fz5 s ARG 31 Cb -0.10 -1.00 -0.03 0.00 -0.45 0.00 0.00 34.95 33.37 3fz5 s ARG 31 CO 0.60 -0.02 0.48 0.99 -0.68 0.00 0.00 175.30 176.66 3fz5 s THR 32 N -3.14 5.09 -0.09 0.02 2.01 -1.26 -3.99 115.64 114.28 3fz5 s THR 32 Ca 0.30 -0.69 0.04 0.00 0.31 0.00 0.00 61.69 61.65 3fz5 s THR 32 Cb 0.05 -3.83 -0.00 0.00 0.01 0.00 0.00 72.50 68.72 3fz5 s THR 32 CO 0.12 -0.45 -0.23 -0.69 -0.69 0.00 0.00 174.62 172.69 3fz5 s VAL 33 N -2.19 2.21 -0.33 3.82 1.01 -1.26 -0.34 120.40 123.32 3fz5 s VAL 33 Ca 0.38 -0.98 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 3fz5 s VAL 33 Cb -0.09 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.46 3fz5 s VAL 33 CO 0.33 0.56 0.13 -0.22 0.00 0.00 0.00 175.10 175.90 3fz5 s LEU 34 N 0.22 4.25 0.07 3.92 2.96 0.15 -4.91 118.68 125.34 3fz5 s LEU 34 Ca -0.14 -0.88 -0.28 0.00 -0.22 0.00 0.00 54.13 52.61 3fz5 s LEU 34 Cb -0.17 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.53 3fz5 s LEU 34 CO 0.07 -0.28 0.87 0.26 -1.32 0.00 0.00 176.35 175.95 3fz5 s TRP 35 N 1.51 3.76 -0.38 5.38 0.52 -1.26 0.77 118.94 129.23 3fz5 s TRP 35 Ca 0.02 1.64 0.02 0.00 0.02 0.00 0.00 56.10 57.79 3fz5 s TRP 35 Cb -0.18 -2.95 0.15 0.00 -1.15 0.00 0.00 33.47 29.34 3fz5 s TRP 35 CO 0.04 0.21 0.27 1.03 0.02 0.00 0.00 176.95 178.53 3fz5 s ARG 36 N 0.09 0.72 0.40 4.98 1.81 0.63 -4.90 118.95 122.69 3fz5 s ARG 36 Ca 0.43 -1.72 -0.24 0.00 -1.72 0.00 0.00 55.73 52.48 3fz5 s ARG 36 Cb -0.22 -1.36 -0.09 0.00 -0.45 0.00 0.00 34.95 32.84 3fz5 s ARG 36 CO 0.26 -1.30 1.11 -1.25 -0.68 0.00 0.00 175.30 173.45 3fz5 s PRO 37 N 0.57 4.08 0.00 3.54 0.04 -1.26 -1.87 135.00 140.09 3fz5 s PRO 37 Ca 0.25 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.97 3fz5 s PRO 37 Cb -0.10 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.85 3fz5 s PRO 37 CO -0.09 -0.25 0.00 2.48 0.04 0.00 0.00 177.00 179.17 3fz5 n TYR 38 N -0.03 0.00 -3.80 0.56 -0.00 0.21 -4.89 117.16 109.21 3fz5 n TYR 38 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.95 3fz5 n TYR 38 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.82 3fz5 n TYR 38 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 3fz5 n LEU 40 N 0.00 0.00 0.02 -3.48 4.77 -1.26 -4.07 117.00 112.99 3fz5 n LEU 40 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3fz5 n LEU 40 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3fz5 n LEU 40 CO 0.00 0.00 -0.10 -1.54 -1.33 0.00 0.00 177.39 174.42 3fz5 n SER 54 N 1.01 0.02 -4.77 -1.43 3.41 -1.26 -5.17 113.62 105.42 3fz5 n SER 54 Ca 0.00 0.08 -0.37 0.00 -0.26 0.00 0.00 58.87 58.32 3fz5 n SER 54 Cb 0.00 0.05 -0.01 0.00 -0.26 0.00 0.00 64.21 63.99 3fz5 n SER 54 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3fz5 s THR 55 N -2.00 3.16 0.08 6.66 -1.32 -1.26 -4.97 115.64 115.98 3fz5 s THR 55 Ca 0.00 0.87 -0.23 0.00 -1.21 0.00 0.00 61.69 61.11 3fz5 s THR 55 Cb 0.00 -3.44 -0.15 0.00 -1.51 0.00 0.00 72.50 67.40 3fz5 s THR 55 CO 0.00 -0.02 1.69 -0.65 -2.21 0.00 0.00 174.62 173.44 3fz5 h PRO 56 N 2.06 0.00 -0.26 7.08 0.11 -2.05 -2.67 132.00 136.28 3fz5 h PRO 56 Ca -0.49 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.64 3fz5 h PRO 56 Cb 1.24 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3fz5 h PRO 56 CO 0.60 0.05 0.17 -0.07 -0.21 0.00 0.00 178.00 178.55 3fz5 h LEU 57 N -0.04 0.21 -0.61 2.35 4.07 -1.98 0.21 115.31 119.52 3fz5 h LEU 57 Ca 0.00 -0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.82 3fz5 h LEU 57 Cb 0.05 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 3fz5 h LEU 57 CO -0.00 0.15 -0.36 0.11 -1.08 0.00 0.00 178.44 177.25 3fz5 h LYS 58 N 0.25 0.70 -0.05 1.13 1.57 -1.94 -0.93 116.57 117.30 3fz5 h LYS 58 Ca 0.11 -0.34 -0.17 0.00 -1.87 0.00 0.00 60.65 58.37 3fz5 h LYS 58 Cb 0.12 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3fz5 h LYS 58 CO -0.02 0.95 -0.72 0.00 -0.57 0.00 0.00 179.45 179.09 3fz5 h ARG 59 N 0.58 0.26 -0.62 3.15 3.08 -0.72 -2.39 114.38 117.72 3fz5 h ARG 59 Ca 0.06 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 3fz5 h ARG 59 Cb 0.89 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.96 3fz5 h ARG 59 CO 0.08 0.87 0.27 -0.44 -1.07 0.00 0.00 179.97 179.68 3fz5 h ASP 60 N 0.17 0.82 -0.04 7.04 3.32 -0.51 -2.35 116.42 124.87 3fz5 h ASP 60 Ca -0.02 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 3fz5 h ASP 60 Cb 1.28 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 3fz5 h ASP 60 CO 0.11 0.72 -0.00 0.22 -1.72 0.00 0.00 179.24 178.57 3fz5 h TYR 61 N 0.89 0.07 -0.40 4.55 3.20 -1.04 -1.98 116.97 122.27 3fz5 h TYR 61 Ca 0.21 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.15 3fz5 h TYR 61 Cb 0.14 -0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.32 3fz5 h TYR 61 CO 0.01 0.37 -0.09 0.00 -1.64 0.00 0.00 178.16 176.81 3fz5 h ALA 62 N 0.69 0.27 -0.77 1.82 0.00 -1.28 0.44 119.26 120.43 3fz5 h ALA 62 Ca 0.01 0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.18 3fz5 h ALA 62 Cb 0.34 0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.35 3fz5 h ALA 62 CO 0.00 -0.45 0.40 1.96 0.00 0.00 0.00 179.25 181.17 3fz5 h GLN 63 N 0.01 0.64 -0.48 0.00 4.20 -1.39 0.18 115.11 118.26 3fz5 h GLN 63 Ca 0.19 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.76 3fz5 h GLN 63 Cb 0.29 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 3fz5 h GLN 63 CO -0.40 0.42 -0.11 -0.09 -0.67 0.00 0.00 178.83 177.98 3fz5 h ARG 64 N 0.66 0.88 0.14 1.46 2.43 -0.15 -2.11 114.38 117.70 3fz5 h ARG 64 Ca 0.39 -0.31 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3fz5 h ARG 64 Cb 0.42 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3fz5 h ARG 64 CO -0.28 0.95 -0.07 0.22 -1.51 0.00 0.00 179.97 179.28 3fz5 h ASP 65 N 0.79 -0.16 -0.54 -3.80 3.58 0.99 -1.35 116.42 115.94 3fz5 h ASP 65 Ca 0.13 -0.28 0.09 0.00 0.42 0.00 0.00 57.03 57.39 3fz5 h ASP 65 Cb 0.63 0.04 -0.07 0.00 1.72 0.00 0.00 39.33 41.65 3fz5 h ASP 65 CO 0.04 0.22 0.11 -0.50 -2.88 0.00 0.00 179.24 176.23 3fz5 h TRP 66 N -0.56 0.18 -0.35 0.28 6.55 -0.72 0.23 115.95 121.57 3fz5 h TRP 66 Ca -0.02 0.03 -0.04 0.00 0.95 0.00 0.00 58.89 59.82 3fz5 h TRP 66 Cb 0.43 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.72 3fz5 h TRP 66 CO 0.04 -0.01 0.06 0.00 -1.05 0.00 0.00 178.44 177.48 3fz5 h ALA 67 N 1.42 1.46 -0.04 1.49 0.00 -1.34 -0.46 119.26 121.78 3fz5 h ALA 67 Ca 0.27 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 3fz5 h ALA 67 Cb 0.38 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3fz5 h ALA 67 CO -0.35 0.39 -0.79 -0.09 0.00 0.00 0.00 179.25 178.42 3fz5 h ARG 68 N 0.50 0.34 0.14 0.00 2.43 -0.05 -1.32 114.38 116.42 3fz5 h ARG 68 Ca 0.12 -0.31 -0.01 0.00 -0.81 0.00 0.00 59.98 58.97 3fz5 h ARG 68 Cb 0.24 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3fz5 h ARG 68 CO 0.00 0.97 -0.07 0.82 -1.51 0.00 0.00 179.97 180.18 3fz5 h ILE 69 N 0.22 1.01 -0.36 1.20 2.04 -0.12 -3.07 117.51 118.43 3fz5 h ILE 69 Ca -0.04 -1.06 0.08 0.00 1.00 0.00 0.00 64.86 64.83 3fz5 h ILE 69 Cb 1.38 1.62 -0.08 0.00 -0.74 0.00 0.00 36.82 39.00 3fz5 h ILE 69 CO 0.13 0.23 -0.22 0.00 0.00 0.00 0.00 178.15 178.29 3fz5 h ALA 70 N -0.03 0.01 -0.92 1.87 0.00 -1.14 -1.12 119.26 117.92 3fz5 h ALA 70 Ca -0.02 0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.13 3fz5 h ALA 70 Cb 0.53 0.51 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 3fz5 h ALA 70 CO 0.03 -0.61 0.59 -0.09 0.00 0.00 0.00 179.25 179.18 3fz5 h ARG 71 N -0.17 0.83 -0.02 0.00 2.43 -1.32 0.59 114.38 116.72 3fz5 h ARG 71 Ca 0.18 -0.05 -0.25 0.00 -0.81 0.00 0.00 59.98 59.05 3fz5 h ARG 71 Cb 0.45 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3fz5 h ARG 71 CO -0.46 0.55 -0.98 0.37 -1.51 0.00 0.00 179.97 177.94 3fz5 h GLN 72 N 0.86 0.63 -0.00 0.20 4.15 -1.28 -3.18 115.11 116.49 3fz5 h GLN 72 Ca 0.45 -0.65 0.00 0.00 0.77 0.00 0.00 58.65 59.21 3fz5 h GLN 72 Cb 0.52 0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.39 3fz5 h GLN 72 CO -0.21 1.25 -0.03 0.54 -1.93 0.00 0.00 178.83 178.45 3fz5 n ARG 73 N -3.84 0.92 -3.23 1.69 1.74 -0.49 -4.91 116.66 108.54 3fz5 n ARG 73 Ca -0.09 -0.22 -0.19 0.00 -0.77 0.00 0.00 57.85 56.58 3fz5 n ARG 73 Cb 0.85 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.85 3fz5 n ARG 73 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fz5 n GLY 74 N 1.16 -0.28 3.77 -0.13 0.00 0.02 -5.02 105.19 104.70 3fz5 n GLY 74 Ca 0.19 0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 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 -5.95 3.83 -0.07 0.99 1.43 -0.17 -5.03 118.68 113.71 3fz5 s LEU 75 Ca 0.40 0.11 -0.18 0.00 -1.03 0.00 0.00 54.13 53.43 3fz5 s LEU 75 Cb -0.18 -2.25 -0.05 0.00 0.03 0.00 0.00 46.19 43.75 3fz5 s LEU 75 CO 0.50 0.27 0.49 0.28 0.23 0.00 0.00 176.35 178.12 3fz5 s THR 76 N -1.19 5.08 -0.15 5.49 -1.32 -1.26 -4.40 115.64 117.89 3fz5 s THR 76 Ca 0.23 1.01 -0.04 0.00 -1.21 0.00 0.00 61.69 61.67 3fz5 s THR 76 Cb -0.12 -3.83 0.06 0.00 -1.51 0.00 0.00 72.50 67.11 3fz5 s THR 76 CO 0.14 0.40 0.14 0.12 -2.21 0.00 0.00 174.62 173.21 3fz5 s PHE 77 N 0.09 -0.04 -0.36 9.09 5.36 -1.26 -4.88 117.98 125.97 3fz5 s PHE 77 Ca 0.27 0.10 0.02 0.00 -0.96 0.00 0.00 56.93 56.36 3fz5 s PHE 77 Cb -0.16 -0.48 0.15 0.00 -0.34 0.00 0.00 43.02 42.19 3fz5 s PHE 77 CO 0.13 -0.45 0.31 0.50 -1.46 0.00 0.00 175.22 174.25 3fz5 s ARG 78 N 2.23 0.60 0.65 10.12 3.52 0.24 -5.01 118.95 131.30 3fz5 s ARG 78 Ca 0.04 -1.04 -0.15 0.00 -0.13 0.00 0.00 55.73 54.45 3fz5 s ARG 78 Cb -0.15 -0.94 -0.01 0.00 -1.56 0.00 0.00 34.95 32.29 3fz5 s ARG 78 CO -0.09 -1.20 1.09 -2.14 -0.81 0.00 0.00 175.30 172.15 3fz5 s PRO 79 N 1.29 2.94 0.98 5.12 0.02 -1.26 -1.58 135.00 142.50 3fz5 s PRO 79 Ca 0.17 1.28 -0.12 0.00 0.02 0.00 0.00 61.00 62.35 3fz5 s PRO 79 Cb -0.18 -1.98 0.17 0.00 0.02 0.00 0.00 34.50 32.54 3fz5 s PRO 79 CO -0.02 -1.12 1.09 -1.25 -0.33 0.00 0.00 177.00 175.37 3fz5 s PRO 80 N -4.22 0.61 0.31 5.54 0.04 -1.26 -4.78 135.00 131.24 3fz5 s PRO 80 Ca 0.65 0.74 0.06 0.00 0.04 0.00 0.00 61.00 62.49 3fz5 s PRO 80 Cb -0.18 -1.74 0.74 0.00 0.04 0.00 0.00 34.50 33.36 3fz5 s PRO 80 CO 0.42 -2.66 1.79 0.00 0.04 0.00 0.00 177.00 176.59 3fz5 h ALA 81 N -1.85 1.70 -0.97 8.56 0.00 -1.98 -2.50 119.26 122.22 3fz5 h ALA 81 Ca -0.53 0.07 -0.61 0.00 0.00 0.00 0.00 54.91 53.83 3fz5 h ALA 81 Cb 1.31 -0.10 -0.37 0.00 0.00 0.00 0.00 17.79 18.63 3fz5 h ALA 81 CO 0.54 -0.05 -0.16 -0.40 0.00 0.00 0.00 179.25 179.19 3fz5 n ASP 82 N -4.72 5.91 -4.76 0.00 5.75 -1.26 -5.01 116.55 112.46 3fz5 n ASP 82 Ca 0.22 -3.76 -0.41 0.00 -0.01 0.00 0.00 54.79 50.83 3fz5 n ASP 82 Cb 0.55 -0.61 -0.01 0.00 -1.03 0.00 0.00 41.12 40.03 3fz5 n ASP 82 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 3fz5 n HIS 83 N -0.71 2.91 -3.50 2.11 -0.00 -0.95 -4.04 115.22 111.05 3fz5 n HIS 83 Ca 0.49 0.40 -0.38 0.00 0.46 0.00 0.00 57.72 58.69 3fz5 n HIS 83 Cb 0.76 -2.54 -0.06 0.00 -0.12 0.00 0.00 29.99 28.03 3fz5 n HIS 83 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 3fz5 s PRO 84 N -1.62 3.94 0.72 1.57 0.04 -1.26 -5.06 135.00 133.33 3fz5 s PRO 84 Ca 0.57 0.40 -0.13 0.00 0.04 0.00 0.00 61.00 61.88 3fz5 s PRO 84 Cb -0.49 -3.23 0.03 0.00 0.04 0.00 0.00 34.50 30.85 3fz5 s PRO 84 CO 0.59 0.66 1.10 -1.01 0.04 0.00 0.00 177.00 178.39 3fz5 s HIS 85 N -0.98 2.61 -0.54 0.56 3.76 -1.26 -4.97 115.29 114.48 3fz5 s HIS 85 Ca 0.24 1.55 -0.20 0.00 -0.15 0.00 0.00 55.06 56.49 3fz5 s HIS 85 Cb -0.17 -3.10 0.06 0.00 1.11 0.00 0.00 32.58 30.49 3fz5 s HIS 85 CO 0.13 -1.73 0.72 0.08 -0.85 0.00 0.00 174.74 173.09 3fz5 s VAL 86 N -2.65 4.73 -0.08 -0.90 1.01 -1.26 -4.70 120.40 116.55 3fz5 s VAL 86 Ca 0.64 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 62.20 3fz5 s VAL 86 Cb -0.19 -4.40 -0.03 0.00 0.00 0.00 0.00 36.38 31.76 3fz5 s VAL 86 CO 0.49 -0.96 2.49 0.00 0.00 0.00 0.00 175.10 177.12 3fz5 n ALA 87 N 6.57 4.99 0.12 5.51 0.00 -1.26 -3.55 120.51 132.88 3fz5 n ALA 87 Ca -0.05 -0.97 -0.09 0.00 0.00 0.00 0.00 53.44 52.33 3fz5 n ALA 87 Cb 0.45 -1.49 -0.05 0.00 0.00 0.00 0.00 19.45 18.36 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 3.52 -0.78 -0.74 0.00 3.38 -1.88 -0.50 115.31 118.31 3fz5 h LEU 88 Ca 0.13 0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.27 3fz5 h LEU 88 Cb 1.10 0.27 -0.08 0.00 0.09 0.00 0.00 40.66 42.05 3fz5 h LEU 88 CO 0.25 -0.33 0.37 0.00 0.09 0.00 0.00 178.44 178.81 3fz5 h ALA 89 N -1.20 1.04 -0.53 1.53 0.00 -1.74 0.15 119.26 118.51 3fz5 h ALA 89 Ca -0.02 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3fz5 h ALA 89 Cb 0.44 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3fz5 h ALA 89 CO -0.08 -0.05 0.08 0.00 0.00 0.00 0.00 179.25 179.20 3fz5 h ALA 90 N 1.46 0.71 -0.59 0.00 0.00 -1.33 -0.60 119.26 118.89 3fz5 h ALA 90 Ca 0.37 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3fz5 h ALA 90 Cb 0.43 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3fz5 h ALA 90 CO -0.29 0.45 0.20 1.15 0.00 0.00 0.00 179.25 180.76 3fz5 h THR 91 N 0.77 1.24 -0.78 0.00 2.02 0.50 -1.19 112.91 115.47 3fz5 h THR 91 Ca 0.16 -0.80 -0.05 0.00 0.77 0.00 0.00 66.41 66.49 3fz5 h THR 91 Cb 0.42 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 3fz5 h THR 91 CO 0.01 0.30 0.28 0.03 0.37 0.00 0.00 175.52 176.52 3fz5 h ARG 92 N 0.84 1.18 -0.83 6.66 3.08 -0.70 -3.04 114.38 121.57 3fz5 h ARG 92 Ca 0.19 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3fz5 h ARG 92 Cb 0.27 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 3fz5 h ARG 92 CO -0.01 0.98 0.48 0.00 -1.07 0.00 0.00 179.97 180.35 3fz5 h ALA 93 N 1.15 1.06 -0.16 0.04 0.00 -0.70 -1.84 119.26 118.82 3fz5 h ALA 93 Ca 0.26 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3fz5 h ALA 93 Cb 0.25 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3fz5 h ALA 93 CO -0.02 0.55 -0.01 0.35 0.00 0.00 0.00 179.25 180.12 3fz5 h PHE 94 N 1.15 -0.03 0.00 0.00 3.57 -1.12 -1.23 116.94 119.27 3fz5 h PHE 94 Ca 0.30 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.71 3fz5 h PHE 94 Cb -0.01 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 3fz5 h PHE 94 CO 0.00 -0.04 -0.45 1.88 -2.23 0.00 0.00 178.31 177.47 3fz5 h TYR 95 N 0.03 0.00 -0.33 0.41 0.05 -1.44 0.86 116.97 116.55 3fz5 h TYR 95 Ca 0.07 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.82 3fz5 h TYR 95 Cb 0.10 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.83 3fz5 h TYR 95 CO -0.17 0.45 0.08 2.35 -1.05 0.00 0.00 178.16 179.83 3fz5 h TRP 96 N 0.00 0.55 -0.28 4.88 7.01 -1.00 -1.75 115.95 125.36 3fz5 h TRP 96 Ca -0.00 -0.06 -0.07 0.00 2.11 0.00 0.00 58.89 60.87 3fz5 h TRP 96 Cb 0.95 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.85 3fz5 h TRP 96 CO 0.00 0.56 -0.08 0.82 -2.79 0.00 0.00 178.44 176.95 3fz5 h ILE 97 N 0.37 1.28 -0.93 2.65 2.04 -1.06 -3.17 117.51 118.70 3fz5 h ILE 97 Ca 0.10 -1.12 0.08 0.00 1.00 0.00 0.00 64.86 64.93 3fz5 h ILE 97 Cb 0.29 1.44 -0.06 0.00 -0.74 0.00 0.00 36.82 37.74 3fz5 h ILE 97 CO 0.00 0.35 0.60 -0.08 0.00 0.00 0.00 178.15 179.03 3fz5 h GLU 98 N 0.30 0.99 -0.70 2.37 4.22 -0.71 0.19 114.58 121.24 3fz5 h GLU 98 Ca 0.07 -0.06 0.08 0.00 0.08 0.00 0.00 59.36 59.53 3fz5 h GLU 98 Cb 0.56 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 3fz5 h GLU 98 CO 0.03 0.65 0.46 0.00 -2.18 0.00 0.00 179.01 177.98 3fz5 h ALA 99 N 1.51 1.80 0.00 2.92 0.00 -1.29 -2.69 119.26 121.52 3fz5 h ALA 99 Ca 0.42 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 55.07 3fz5 h ALA 99 Cb 0.28 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3fz5 h ALA 99 CO -0.17 0.07 -1.44 1.96 0.00 0.00 0.00 179.25 179.66 3fz5 h GLN 100 N 0.65 0.00 -0.51 0.00 1.08 -0.84 -3.46 115.11 112.04 3fz5 h GLN 100 Ca 0.31 0.00 0.17 0.00 -1.45 0.00 0.00 58.65 57.69 3fz5 h GLN 100 Cb 0.38 0.00 -0.20 0.00 -0.05 0.00 0.00 27.48 27.61 3fz5 h GLN 100 CO -0.11 0.53 -0.07 0.45 -0.95 0.00 0.00 178.83 178.69 3fz5 s SER 101 N -6.15 -0.78 0.39 1.46 0.15 0.20 -5.04 113.70 103.93 3fz5 s SER 101 Ca -0.03 0.24 0.15 0.00 0.70 0.00 0.00 55.95 57.02 3fz5 s SER 101 Cb 0.08 1.55 1.02 0.00 -1.71 0.00 0.00 66.02 66.97 3fz5 s SER 101 CO 0.82 -0.14 1.82 -0.65 1.20 0.00 0.00 173.24 176.28 3fz5 h PRO 102 N 7.71 0.47 -0.44 5.44 0.11 -1.79 -1.63 132.00 141.87 3fz5 h PRO 102 Ca -0.10 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.87 3fz5 h PRO 102 Cb 1.18 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3fz5 h PRO 102 CO -0.01 0.31 -0.13 -0.44 -0.21 0.00 0.00 178.00 177.52 3fz5 h ASP 103 N 0.48 0.88 0.09 -2.05 3.32 -1.95 -1.58 116.42 115.61 3fz5 h ASP 103 Ca 0.53 -0.37 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 3fz5 h ASP 103 Cb 1.21 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.52 3fz5 h ASP 103 CO -0.25 1.05 -0.08 0.00 -1.72 0.00 0.00 179.24 178.24 3fz5 h ALA 104 N 0.86 1.83 -0.01 3.45 0.00 -1.69 -2.04 119.26 121.66 3fz5 h ALA 104 Ca 0.11 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3fz5 h ALA 104 Cb 0.67 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.46 3fz5 h ALA 104 CO 0.05 0.10 -0.31 0.00 0.00 0.00 0.00 179.25 179.09 3fz5 h ALA 105 N 1.92 0.06 -0.33 0.00 0.00 -0.73 -0.20 119.26 119.97 3fz5 h ALA 105 Ca -0.00 -0.47 0.07 0.00 0.00 0.00 0.00 54.91 54.50 3fz5 h ALA 105 Cb 0.15 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 3fz5 h ALA 105 CO 0.01 0.14 -0.09 1.15 0.00 0.00 0.00 179.25 180.46 3fz5 h THR 106 N -0.38 0.66 -0.28 0.00 2.02 -1.22 0.17 112.91 113.89 3fz5 h THR 106 Ca -0.03 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.21 3fz5 h THR 106 Cb 1.03 0.66 -0.06 0.00 -1.74 0.00 0.00 68.15 68.04 3fz5 h THR 106 CO 0.06 0.00 -0.13 0.00 0.37 0.00 0.00 175.52 175.82 3fz5 h ALA 107 N 1.33 0.10 -0.64 6.16 0.00 -1.28 -0.53 119.26 124.40 3fz5 h ALA 107 Ca 0.16 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.24 3fz5 h ALA 107 Cb 0.25 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 3fz5 h ALA 107 CO -0.34 -0.53 0.34 0.35 0.00 0.00 0.00 179.25 179.07 3fz5 h PHE 108 N -0.09 0.62 -0.45 0.00 3.57 -0.60 -2.15 116.94 117.84 3fz5 h PHE 108 Ca 0.15 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.68 3fz5 h PHE 108 Cb 0.31 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 3fz5 h PHE 108 CO -0.32 0.29 0.28 0.00 -2.23 0.00 0.00 178.31 176.32 3fz5 h ALA 109 N 1.34 0.57 -0.70 2.41 0.00 0.08 -0.37 119.26 122.59 3fz5 h ALA 109 Ca 0.29 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.19 3fz5 h ALA 109 Cb 0.20 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3fz5 h ALA 109 CO -0.19 -0.02 0.47 1.96 0.00 0.00 0.00 179.25 181.46 3fz5 h GLN 110 N 0.57 0.93 0.00 0.00 4.20 -0.84 -2.01 115.11 117.95 3fz5 h GLN 110 Ca 0.17 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.70 3fz5 h GLN 110 Cb -0.02 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.53 3fz5 h GLN 110 CO -0.06 0.61 -0.61 -0.09 -0.67 0.00 0.00 178.83 178.01 3fz5 h ARG 111 N 0.95 0.00 0.38 1.46 9.65 -0.74 -2.56 114.38 123.53 3fz5 h ARG 111 Ca 0.26 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.12 3fz5 h ARG 111 Cb -0.11 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.47 3fz5 h ARG 111 CO -0.06 0.61 -0.18 0.28 2.80 0.00 0.00 179.97 183.42 3fz5 h VAL 112 N 0.00 0.57 -1.00 0.20 2.07 -0.40 -1.70 116.25 115.99 3fz5 h VAL 112 Ca -0.01 -0.49 0.22 0.00 0.82 0.00 0.00 66.70 67.25 3fz5 h VAL 112 Cb 1.25 0.79 -0.10 0.00 -1.52 0.00 0.00 31.29 31.71 3fz5 h VAL 112 CO 0.08 0.08 0.62 -0.26 0.02 0.00 0.00 177.57 178.12 3fz5 h PHE 113 N -0.82 0.89 0.19 1.57 0.04 -1.38 0.33 116.94 117.76 3fz5 h PHE 113 Ca -0.05 0.03 -0.28 0.00 2.80 0.00 0.00 57.97 60.46 3fz5 h PHE 113 Cb 0.53 -0.26 0.03 0.00 2.20 0.00 0.00 35.95 38.45 3fz5 h PHE 113 CO 0.01 0.15 -1.22 0.22 -0.60 0.00 0.00 178.31 176.88 3fz5 h ASP 114 N 0.59 0.75 0.17 2.17 3.58 -1.46 -1.46 116.42 120.77 3fz5 h ASP 114 Ca 0.58 -0.90 -0.26 0.00 0.42 0.00 0.00 57.03 56.87 3fz5 h ASP 114 Cb 1.14 -0.24 0.02 0.00 1.72 0.00 0.00 39.33 41.96 3fz5 h ASP 114 CO -0.35 1.59 -1.06 -0.07 -2.88 0.00 0.00 179.24 176.48 3fz5 h LEU 115 N 0.03 0.76 -0.65 2.28 3.38 -0.71 -2.99 115.31 117.42 3fz5 h LEU 115 Ca -0.21 -0.63 -0.02 0.00 0.09 0.00 0.00 57.88 57.11 3fz5 h LEU 115 Cb 1.94 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 42.43 3fz5 h LEU 115 CO 0.23 1.44 0.32 0.22 0.09 0.00 0.00 178.44 180.74 3fz5 h TYR 116 N 0.31 0.92 -0.47 1.13 3.20 -0.39 0.37 116.97 122.04 3fz5 h TYR 116 Ca -0.12 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.71 3fz5 h TYR 116 Cb 1.71 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 39.69 3fz5 h TYR 116 CO 0.09 0.69 0.00 1.19 -1.64 0.00 0.00 178.16 178.48 3fz5 n PHE 117 N -4.50 0.63 -0.96 -3.82 3.72 -0.55 -2.29 117.46 109.70 3fz5 n PHE 117 Ca 0.05 -0.31 0.09 0.00 -0.05 0.00 0.00 57.45 57.22 3fz5 n PHE 117 Cb 0.12 0.00 0.18 0.00 -0.94 0.00 0.00 39.48 38.84 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 0.87 2.97 -1.92 4.37 3.41 -1.08 0.80 113.62 123.05 3fz5 n SER 118 Ca 0.16 -2.97 -0.12 0.00 -0.26 0.00 0.00 58.87 55.67 3fz5 n SER 118 Cb 0.40 -0.45 0.03 0.00 -0.26 0.00 0.00 64.21 63.93 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 -0.96 -4.15 0.00 4.04 2.03 -0.62 -4.92 116.55 111.98 3fz5 n ASP 119 Ca 0.17 -0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.26 3fz5 n ASP 119 Cb 0.72 -2.88 0.00 0.00 -0.72 0.00 0.00 41.12 38.24 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 0.86 -3.67 -0.67 1.74 0.10 -4.95 116.66 107.38 3fz5 n ARG 120 Ca -0.03 -0.76 -0.11 0.00 -0.77 0.00 0.00 57.85 56.19 3fz5 n ARG 120 Cb 0.55 -0.75 -0.11 0.00 -1.02 0.00 0.00 32.46 31.12 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 -0.34 -0.33 -0.60 0.55 2.96 -1.21 -4.89 118.68 114.82 3fz5 s LEU 121 Ca 0.00 0.81 -0.25 0.00 -0.22 0.00 0.00 54.13 54.47 3fz5 s LEU 121 Cb 0.00 1.11 0.04 0.00 0.50 0.00 0.00 46.19 47.84 3fz5 s LEU 121 CO 0.00 -0.22 1.07 -0.62 -1.32 0.00 0.00 176.35 175.26 3fz5 s ASP 122 N 2.17 6.32 0.00 3.68 2.15 -1.26 -4.58 116.67 125.14 3fz5 s ASP 122 Ca -0.03 -0.33 0.24 0.00 0.43 0.00 0.00 52.55 52.86 3fz5 s ASP 122 Cb -0.11 -2.49 1.14 0.00 -0.30 0.00 0.00 42.92 41.17 3fz5 s ASP 122 CO -0.11 -1.42 1.78 0.35 -0.17 0.00 0.00 175.17 175.60 3fz5 n THR 123 N 6.32 0.29 0.48 1.71 -2.24 -1.26 -2.13 114.28 117.44 3fz5 n THR 123 Ca 0.03 0.07 0.12 0.00 -2.27 0.00 0.00 64.05 62.01 3fz5 n THR 123 Cb 0.48 -0.67 0.24 0.00 -2.10 0.00 0.00 70.33 68.28 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 3.03 0.80 -2.43 6.98 0.00 -1.89 -2.07 119.26 123.68 3fz5 h ALA 124 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.27 3fz5 h ALA 124 Cb 0.28 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.93 3fz5 h ALA 124 CO 0.00 0.00 0.02 0.45 0.00 0.00 0.00 179.25 179.72 3fz5 s SER 125 N -4.80 6.38 0.20 0.00 0.15 -0.91 -4.31 113.70 110.41 3fz5 s SER 125 Ca 0.07 0.13 -0.11 0.00 0.70 0.00 0.00 55.95 56.75 3fz5 s SER 125 Cb 0.11 -2.29 0.26 0.00 -1.71 0.00 0.00 66.02 62.40 3fz5 s SER 125 CO 0.67 -0.48 1.69 -0.65 1.20 0.00 0.00 173.24 175.67 3fz5 h PRO 126 N 8.38 0.19 -0.06 5.44 0.11 -1.89 -0.82 132.00 143.35 3fz5 h PRO 126 Ca -0.28 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.83 3fz5 h PRO 126 Cb 1.12 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3fz5 h PRO 126 CO 0.78 0.12 0.00 1.49 -0.21 0.00 0.00 178.00 180.19 3fz5 h GLU 127 N 0.19 0.02 -0.55 1.05 4.81 -1.95 -0.50 114.58 117.66 3fz5 h GLU 127 Ca 0.30 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.47 3fz5 h GLU 127 Cb 0.45 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 3fz5 h GLU 127 CO -0.43 0.01 0.13 0.00 -0.73 0.00 0.00 179.01 178.00 3fz5 h ALA 128 N 1.05 0.72 -0.57 2.92 0.00 -1.79 -2.84 119.26 118.75 3fz5 h ALA 128 Ca 0.03 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 3fz5 h ALA 128 Cb 0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3fz5 h ALA 128 CO -0.04 0.42 0.05 0.28 0.00 0.00 0.00 179.25 179.96 3fz5 h VAL 129 N 0.78 1.25 0.00 0.00 2.07 -1.04 -2.75 116.25 116.56 3fz5 h VAL 129 Ca 0.17 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.67 3fz5 h VAL 129 Cb 0.35 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3fz5 h VAL 129 CO 0.00 0.37 0.00 -1.20 0.02 0.00 0.00 177.57 176.77 3fz5 n SER 130 N -4.21 0.30 0.00 0.57 7.64 -0.21 -1.32 113.62 116.39 3fz5 n SER 130 Ca 0.03 0.56 0.10 0.00 1.01 0.00 0.00 58.87 60.58 3fz5 n SER 130 Cb 0.30 -0.63 0.46 0.00 -1.01 0.00 0.00 64.21 63.33 3fz5 n SER 130 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3fz5 n ARG 131 N -1.82 0.02 0.18 1.43 1.74 -1.04 -2.86 116.66 114.31 3fz5 n ARG 131 Ca 0.04 0.13 0.11 0.00 -0.77 0.00 0.00 57.85 57.36 3fz5 n ARG 131 Cb 0.24 -1.50 0.11 0.00 -1.02 0.00 0.00 32.46 30.29 3fz5 n ARG 131 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3fz5 h LEU 132 N 0.00 0.00 -0.99 0.55 4.07 -1.35 -3.39 115.31 114.20 3fz5 h LEU 132 Ca 0.00 0.00 0.15 0.00 0.08 0.00 0.00 57.88 58.11 3fz5 h LEU 132 Cb 0.36 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.01 3fz5 h LEU 132 CO 0.00 0.02 0.60 1.23 -1.08 0.00 0.00 178.44 179.21 3fz5 h GLY 133 N 3.98 1.68 -4.84 0.83 0.00 -1.67 -3.26 103.07 99.79 3fz5 h GLY 133 Ca -0.00 -0.38 -0.72 0.00 0.00 0.00 0.00 47.33 46.23 3fz5 h GLY 133 CO 0.00 0.04 0.61 -1.55 0.00 0.00 0.00 176.54 175.64 3fz5 n PRO 134 N -4.71 2.92 0.00 4.80 -0.05 -0.92 0.64 135.00 137.67 3fz5 n PRO 134 Ca 0.21 -3.76 0.00 0.00 -0.05 0.00 0.00 63.50 59.90 3fz5 n PRO 134 Cb 0.46 -2.27 0.00 0.00 -0.05 0.00 0.00 33.50 31.65 3fz5 n PRO 134 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 175.50 173.54 3fz5 n GLU 135 N -0.54 2.91 -0.52 0.54 2.13 -1.23 -3.88 120.64 120.05 3fz5 n GLU 135 Ca 0.51 0.00 0.04 0.00 0.66 0.00 0.00 57.16 58.37 3fz5 n GLU 135 Cb 0.36 -0.69 0.20 0.00 0.27 0.00 0.00 31.44 31.57 3fz5 n GLU 135 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3fz5 n VAL 136 N -0.76 2.26 -2.76 6.31 0.31 0.21 -4.94 118.33 118.96 3fz5 n VAL 136 Ca 0.00 -2.66 -0.19 0.00 -0.01 0.00 0.00 64.34 61.48 3fz5 n VAL 136 Cb 0.07 -0.27 0.02 0.00 -0.91 0.00 0.00 33.84 32.75 3fz5 n VAL 136 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fz5 n GLY 137 N -1.10 -0.38 3.27 2.92 0.00 -1.09 -5.00 105.19 103.81 3fz5 n GLY 137 Ca 0.23 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 -5.73 2.08 0.17 0.99 1.43 -0.49 -4.97 118.68 112.16 3fz5 s LEU 138 Ca 0.19 -0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 52.48 3fz5 s LEU 138 Cb -0.08 -1.38 -0.08 0.00 0.03 0.00 0.00 46.19 44.68 3fz5 s LEU 138 CO 0.24 0.25 1.27 -0.70 0.23 0.00 0.00 176.35 177.63 3fz5 s GLU 139 N -0.17 4.42 0.17 1.70 2.56 -1.26 -2.17 118.70 123.94 3fz5 s GLU 139 Ca -0.03 1.96 -0.26 0.00 0.00 0.00 0.00 54.97 56.64 3fz5 s GLU 139 Cb -0.14 -3.23 0.03 0.00 2.00 0.00 0.00 34.13 32.79 3fz5 s GLU 139 CO 0.04 -0.22 1.57 -1.35 -0.56 0.00 0.00 175.26 174.74 3fz5 h PRO 140 N 5.66 -0.24 -0.86 4.30 0.11 -1.93 -2.18 132.00 136.86 3fz5 h PRO 140 Ca -0.44 0.02 0.11 0.00 0.11 0.00 0.00 66.00 65.79 3fz5 h PRO 140 Cb 1.21 0.05 -0.12 0.00 0.11 0.00 0.00 31.00 32.26 3fz5 h PRO 140 CO 0.78 -0.16 -0.42 0.39 -0.21 0.00 0.00 178.00 178.38 3fz5 n GLU 141 N -5.41 -0.29 -0.02 1.05 1.02 -1.26 -0.19 120.64 115.55 3fz5 n GLU 141 Ca 0.01 1.30 -0.11 0.00 -0.02 0.00 0.00 57.16 58.34 3fz5 n GLU 141 Cb 0.35 -1.93 -0.06 0.00 -0.02 0.00 0.00 31.44 29.78 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 0.81 0.13 -0.04 0.62 0.00 -1.83 0.21 119.26 119.16 3fz5 h ALA 142 Ca 0.22 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3fz5 h ALA 142 Cb 0.43 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3fz5 h ALA 142 CO -0.83 -0.29 -0.14 1.25 0.00 0.00 0.00 179.25 179.23 3fz5 h LEU 143 N 0.03 -0.43 -0.62 0.00 6.46 -0.64 0.59 115.31 120.70 3fz5 h LEU 143 Ca 0.03 0.07 0.13 0.00 -0.12 0.00 0.00 57.88 57.99 3fz5 h LEU 143 Cb 0.14 0.19 -0.10 0.00 -0.73 0.00 0.00 40.66 40.16 3fz5 h LEU 143 CO -0.00 -0.20 0.01 -0.07 -0.62 0.00 0.00 178.44 177.56 3fz5 h LEU 144 N -0.22 -0.26 -0.16 2.25 3.38 -0.38 -1.42 115.31 118.51 3fz5 h LEU 144 Ca 0.06 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 3fz5 h LEU 144 Cb 0.30 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3fz5 h LEU 144 CO -0.17 -0.11 0.09 0.00 0.09 0.00 0.00 178.44 178.34 3fz5 h ALA 145 N 1.56 0.21 -0.23 1.53 0.00 -0.01 -2.73 119.26 119.59 3fz5 h ALA 145 Ca 0.32 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.21 3fz5 h ALA 145 Cb 0.52 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3fz5 h ALA 145 CO -0.52 -0.26 0.03 0.78 0.00 0.00 0.00 179.25 179.28 3fz5 h GLY 146 N 0.16 0.25 2.00 0.00 0.00 -0.19 -1.07 103.07 104.23 3fz5 h GLY 146 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3fz5 h GLY 146 CO -0.01 -0.02 0.00 0.29 0.00 0.00 0.00 176.54 176.80 3fz5 n ILE 147 N -5.10 0.81 0.60 2.60 -5.35 -0.60 -1.37 119.36 110.95 3fz5 n ILE 147 Ca -0.02 0.22 0.09 0.00 -0.27 0.00 0.00 62.75 62.78 3fz5 n ILE 147 Cb 0.11 -1.16 0.26 0.00 -1.74 0.00 0.00 39.64 37.11 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 -1.79 2.45 -2.70 -1.28 0.00 -0.50 -4.81 120.51 111.87 3fz5 n ALA 148 Ca 0.02 -0.81 -0.38 0.00 0.00 0.00 0.00 53.44 52.27 3fz5 n ALA 148 Cb 0.24 -0.98 -0.06 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.24 6.78 0.29 0.00 2.15 -0.47 -5.00 116.67 119.19 3fz5 s ASP 149 Ca 0.34 0.94 -0.02 0.00 0.43 0.00 0.00 52.55 54.24 3fz5 s ASP 149 Cb 0.18 -2.32 0.43 0.00 -0.30 0.00 0.00 42.92 40.91 3fz5 s ASP 149 CO 0.25 -0.02 1.94 -0.65 -0.17 0.00 0.00 175.17 176.52 3fz5 h PRO 150 N 6.64 1.11 -0.52 4.34 0.11 -1.91 -2.35 132.00 139.43 3fz5 h PRO 150 Ca -0.41 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 3fz5 h PRO 150 Cb 1.19 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 3fz5 h PRO 150 CO 0.75 0.73 0.05 0.00 -0.21 0.00 0.00 178.00 179.32 3fz5 h ALA 151 N 1.47 1.11 -0.35 -0.75 0.00 -1.94 -0.91 119.26 117.88 3fz5 h ALA 151 Ca 0.35 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 3fz5 h ALA 151 Cb -0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3fz5 h ALA 151 CO -0.10 0.58 -0.30 1.25 0.00 0.00 0.00 179.25 180.68 3fz5 h LEU 152 N 0.80 0.87 -1.03 0.00 6.46 -1.77 -1.25 115.31 119.38 3fz5 h LEU 152 Ca 0.16 -0.45 -0.00 0.00 -0.12 0.00 0.00 57.88 57.47 3fz5 h LEU 152 Cb 0.41 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 40.05 3fz5 h LEU 152 CO 0.01 1.14 0.56 0.11 -0.62 0.00 0.00 178.44 179.64 3fz5 h LYS 153 N 0.61 1.22 -0.58 1.25 1.57 -1.12 0.56 116.57 120.08 3fz5 h LYS 153 Ca 0.06 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 3fz5 h LYS 153 Cb 0.87 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 3fz5 h LYS 153 CO 0.08 0.84 -0.03 1.49 -0.57 0.00 0.00 179.45 181.26 3fz5 h GLU 154 N 1.25 1.05 -0.17 3.15 4.22 -1.15 -2.71 114.58 120.22 3fz5 h GLU 154 Ca 0.33 -0.35 0.00 0.00 0.08 0.00 0.00 59.36 59.42 3fz5 h GLU 154 Cb -0.07 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 3fz5 h GLU 154 CO -0.06 1.04 0.11 1.15 -2.18 0.00 0.00 179.01 179.07 3fz5 h THR 155 N 0.95 1.03 -0.50 0.32 2.02 -0.10 -2.05 112.91 114.58 3fz5 h THR 155 Ca 0.16 -0.08 -0.06 0.00 0.77 0.00 0.00 66.41 67.21 3fz5 h THR 155 Cb 0.59 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 3fz5 h THR 155 CO 0.04 0.04 0.07 0.58 0.37 0.00 0.00 175.52 176.61 3fz5 h VAL 156 N 0.22 1.23 -0.52 3.16 2.07 -0.96 -1.89 116.25 119.56 3fz5 h VAL 156 Ca 0.06 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.70 3fz5 h VAL 156 Cb -0.02 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3fz5 h VAL 156 CO -0.02 0.32 0.33 -0.09 0.02 0.00 0.00 177.57 178.13 3fz5 h ARG 157 N 0.75 0.69 -0.54 1.57 2.43 -1.28 -2.83 114.38 115.17 3fz5 h ARG 157 Ca 0.16 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.20 3fz5 h ARG 157 Cb 0.36 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 3fz5 h ARG 157 CO 0.01 0.48 0.04 0.87 -1.51 0.00 0.00 179.97 179.85 3fz5 h LYS 158 N 0.70 0.92 -0.37 0.20 1.79 -1.05 -2.54 116.57 116.23 3fz5 h LYS 158 Ca 0.19 -0.28 0.07 0.00 -2.18 0.00 0.00 60.65 58.45 3fz5 h LYS 158 Cb -0.05 -0.09 -0.09 0.00 -1.58 0.00 0.00 32.23 30.42 3fz5 h LYS 158 CO -0.04 0.92 -0.42 0.82 -1.08 0.00 0.00 179.45 179.65 3fz5 h ILE 159 N 0.80 0.12 -0.36 1.86 1.08 -1.12 0.22 117.51 120.12 3fz5 h ILE 159 Ca 0.16 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 64.56 3fz5 h ILE 159 Cb 0.48 0.12 -0.02 0.00 -3.07 0.00 0.00 36.82 34.34 3fz5 h ILE 159 CO 0.02 0.00 -0.07 1.23 -0.69 0.00 0.00 178.15 178.64 3fz5 h GLY 160 N -0.35 0.66 1.36 5.37 0.00 -1.48 -1.41 103.07 107.22 3fz5 h GLY 160 Ca 0.13 -0.44 -0.13 0.00 0.00 0.00 0.00 47.33 46.89 3fz5 h GLY 160 CO -0.55 0.41 -0.32 0.83 0.00 0.00 0.00 176.54 176.91 3fz5 h GLU 161 N 0.57 0.72 -0.27 4.80 5.08 -1.00 -1.63 114.58 122.85 3fz5 h GLU 161 Ca 0.11 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 58.07 3fz5 h GLU 161 Cb 0.47 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3fz5 h GLU 161 CO 0.02 0.94 -0.13 -0.44 -1.00 0.00 0.00 179.01 178.41 3fz5 h ASP 162 N 0.61 0.43 0.12 1.42 3.32 -0.31 -2.09 116.42 119.91 3fz5 h ASP 162 Ca 0.07 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 3fz5 h ASP 162 Cb 0.84 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.28 3fz5 h ASP 162 CO 0.07 0.59 -0.06 0.00 -1.72 0.00 0.00 179.24 178.13 3fz5 h ALA 163 N 1.46 -0.16 -0.28 3.45 0.00 -0.83 -2.18 119.26 120.73 3fz5 h ALA 163 Ca 0.08 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3fz5 h ALA 163 Cb 0.47 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 3fz5 h ALA 163 CO 0.03 -0.57 -0.33 0.28 0.00 0.00 0.00 179.25 178.67 3fz5 h VAL 164 N -0.20 0.25 -0.00 0.00 2.07 -1.20 -0.99 116.25 116.18 3fz5 h VAL 164 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3fz5 h VAL 164 Cb 0.16 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3fz5 h VAL 164 CO 0.03 0.00 0.03 0.00 0.02 0.00 0.00 177.57 177.64 3fz5 h ALA 165 N 0.59 1.10 -0.46 1.67 0.00 -1.14 0.11 119.26 121.13 3fz5 h ALA 165 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3fz5 h ALA 165 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3fz5 h ALA 165 CO -0.45 -0.03 0.00 0.54 0.00 0.00 0.00 179.25 179.31 3fz5 n ARG 166 N -3.17 3.41 -0.93 0.00 1.74 -0.84 -4.95 116.66 111.92 3fz5 n ARG 166 Ca -0.03 -2.72 0.00 0.00 -0.77 0.00 0.00 57.85 54.33 3fz5 n ARG 166 Cb 0.10 -1.78 0.00 0.00 -1.02 0.00 0.00 32.46 29.76 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 0.44 0.72 3.67 -0.13 0.00 0.02 -5.00 105.19 104.91 3fz5 n GLY 167 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.81 4.69 0.23 -0.61 1.01 -0.43 -5.01 121.20 118.27 3fz5 s ILE 168 Ca 0.00 2.03 0.00 0.00 0.00 0.00 0.00 60.65 62.68 3fz5 s ILE 168 Cb 0.00 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 3fz5 s ILE 168 CO 0.00 -0.15 0.14 0.72 0.00 0.00 0.00 174.94 175.65 3fz5 s PHE 169 N 2.98 1.30 0.33 3.97 -0.12 -1.26 -4.05 117.98 121.14 3fz5 s PHE 169 Ca 0.45 -1.37 0.00 0.00 -0.05 0.00 0.00 56.93 55.96 3fz5 s PHE 169 Cb -0.16 -0.65 0.00 0.00 -0.63 0.00 0.00 43.02 41.58 3fz5 s PHE 169 CO 0.08 -0.60 0.00 0.41 -0.05 0.00 0.00 175.22 175.07 3fz5 n GLY 170 N -0.35 -1.85 3.16 1.99 0.00 -1.26 -4.66 105.19 102.22 3fz5 n GLY 170 Ca 0.02 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.86 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 -6.83 -0.38 0.31 1.61 0.15 -1.26 -4.18 113.70 103.12 3fz5 s SER 171 Ca 0.00 0.69 -0.22 0.00 0.70 0.00 0.00 55.95 57.13 3fz5 s SER 171 Cb 0.00 0.59 -0.09 0.00 -1.71 0.00 0.00 66.02 64.81 3fz5 s SER 171 CO 0.00 -0.17 0.85 -2.16 1.20 0.00 0.00 173.24 172.96 3fz5 s PRO 172 N 1.17 4.34 -0.08 5.44 0.04 -1.26 -4.56 135.00 140.09 3fz5 s PRO 172 Ca -0.08 1.06 0.02 0.00 0.04 0.00 0.00 61.00 62.04 3fz5 s PRO 172 Cb -0.08 -2.65 0.01 0.00 0.04 0.00 0.00 34.50 31.81 3fz5 s PRO 172 CO -0.09 0.24 -0.13 0.12 0.04 0.00 0.00 177.00 177.17 3fz5 s PHE 173 N -1.75 1.66 -0.06 0.56 5.36 0.25 -0.38 117.98 123.62 3fz5 s PHE 173 Ca 0.51 -0.68 0.04 0.00 -0.96 0.00 0.00 56.93 55.84 3fz5 s PHE 173 Cb -0.15 -1.21 -0.02 0.00 -0.34 0.00 0.00 43.02 41.30 3fz5 s PHE 173 CO 0.20 -0.35 -0.16 -0.06 -1.46 0.00 0.00 175.22 173.39 3fz5 s PHE 174 N 0.81 2.66 -0.20 10.12 0.08 0.11 -0.70 117.98 130.86 3fz5 s PHE 174 Ca -0.11 -0.27 -0.00 0.00 0.12 0.00 0.00 56.93 56.67 3fz5 s PHE 174 Cb -0.15 -1.64 0.05 0.00 -0.57 0.00 0.00 43.02 40.71 3fz5 s PHE 174 CO 0.02 0.10 -0.04 -1.17 -0.10 0.00 0.00 175.22 174.03 3fz5 s LEU 175 N -0.57 1.97 -0.13 -0.37 2.96 -0.91 0.27 118.68 121.89 3fz5 s LEU 175 Ca 0.08 -0.92 0.01 0.00 -0.22 0.00 0.00 54.13 53.08 3fz5 s LEU 175 Cb -0.11 -0.98 0.02 0.00 0.50 0.00 0.00 46.19 45.61 3fz5 s LEU 175 CO 0.01 -0.22 -0.15 0.54 -1.32 0.00 0.00 176.35 175.21 3fz5 s VAL 176 N 1.56 1.56 -1.65 1.68 0.11 -0.62 -1.63 120.40 121.42 3fz5 s VAL 176 Ca -0.02 -0.65 -0.16 0.00 -2.93 0.00 0.00 61.98 58.22 3fz5 s VAL 176 Cb -0.17 -1.44 0.13 0.00 -1.53 0.00 0.00 36.38 33.37 3fz5 s VAL 176 CO -0.07 0.45 0.78 0.47 -3.33 0.00 0.00 175.10 173.40 3fz5 n ASP 177 N 4.53 -3.21 0.00 3.54 8.00 -1.26 -0.52 116.55 127.63 3fz5 n ASP 177 Ca -0.18 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.35 3fz5 n ASP 177 Cb 0.51 -2.96 0.00 0.00 -0.02 0.00 0.00 41.12 38.64 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 -2.72 -2.39 -4.56 -2.24 8.00 -1.26 -5.00 116.55 106.38 3fz5 n ASP 178 Ca 0.03 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.13 3fz5 n ASP 178 Cb 0.52 -1.32 -0.09 0.00 -0.02 0.00 0.00 41.12 40.21 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 -0.58 3.72 0.14 -1.24 2.56 0.32 -5.07 118.70 118.55 3fz5 s GLU 179 Ca 0.00 -0.27 -0.27 0.00 0.00 0.00 0.00 54.97 54.43 3fz5 s GLU 179 Cb 0.00 -3.75 -0.07 0.00 2.00 0.00 0.00 34.13 32.31 3fz5 s GLU 179 CO 0.00 -0.44 0.83 -1.25 -0.56 0.00 0.00 175.26 173.84 3fz5 s PRO 180 N 2.03 4.62 -0.18 4.30 0.04 -1.26 -1.59 135.00 142.96 3fz5 s PRO 180 Ca 0.13 1.24 -0.02 0.00 0.04 0.00 0.00 61.00 62.38 3fz5 s PRO 180 Cb -0.16 -3.31 0.06 0.00 0.04 0.00 0.00 34.50 31.12 3fz5 s PRO 180 CO 0.11 0.44 0.02 -0.06 0.04 0.00 0.00 177.00 177.55 3fz5 s PHE 181 N -0.70 1.10 -0.26 0.56 0.08 0.14 -4.99 117.98 113.90 3fz5 s PHE 181 Ca 0.39 -0.84 -0.12 0.00 0.12 0.00 0.00 56.93 56.48 3fz5 s PHE 181 Cb -0.23 -1.05 -0.05 0.00 -0.57 0.00 0.00 43.02 41.13 3fz5 s PHE 181 CO 0.27 -0.59 0.24 -0.46 -0.10 0.00 0.00 175.22 174.58 3fz5 s TRP 182 N 1.83 3.25 0.00 0.36 -0.00 -1.26 0.05 118.94 123.18 3fz5 s TRP 182 Ca -0.00 0.24 0.00 0.00 -0.00 0.00 0.00 56.10 56.34 3fz5 s TRP 182 Cb -0.17 -2.42 0.00 0.00 -0.00 0.00 0.00 33.47 30.89 3fz5 s TRP 182 CO -0.08 -0.12 0.00 0.41 -0.00 0.00 0.00 176.95 177.16 3fz5 n GLY 183 N 4.75 3.45 0.26 5.86 0.00 0.48 -4.67 105.19 115.32 3fz5 n GLY 183 Ca -0.12 -1.71 -0.06 0.00 0.00 0.00 0.00 46.02 44.12 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 0.85 0.00 1.61 7.01 -1.85 -2.73 115.95 120.84 3fz5 h TRP 184 Ca 0.00 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.98 3fz5 h TRP 184 Cb 0.00 -0.27 0.00 0.00 -2.10 0.00 0.00 29.16 26.79 3fz5 h TRP 184 CO 0.00 0.61 0.00 -0.40 -2.79 0.00 0.00 178.44 175.86 3fz5 n ASP 185 N -4.56 0.00 -4.04 2.65 5.68 -1.26 -4.76 116.55 110.26 3fz5 n ASP 185 Ca 0.04 -1.43 -0.40 0.00 -0.50 0.00 0.00 54.79 52.51 3fz5 n ASP 185 Cb 0.09 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.04 3fz5 n ASP 185 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3fz5 n ARG 186 N -0.57 3.58 -1.10 0.11 5.12 -1.03 -5.17 116.66 117.60 3fz5 n ARG 186 Ca 0.03 -4.53 0.00 0.00 -1.93 0.00 0.00 57.85 51.41 3fz5 n ARG 186 Cb 0.01 -2.47 0.00 0.00 -1.16 0.00 0.00 32.46 28.85 3fz5 n ARG 186 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3fz5 n GLU 188 N 1.81 0.00 0.00 5.56 -0.58 -1.26 -4.99 120.64 121.18 3fz5 n GLU 188 Ca 0.25 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.99 3fz5 n GLU 188 Cb 0.36 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.23 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 -0.08 0.00 0.18 0.62 0.00 -1.26 -4.64 120.51 115.34 3fz5 n ALA 191 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3fz5 n ALA 191 Cb 0.00 0.00 0.38 0.00 0.00 0.00 0.00 19.45 19.83 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 0.03 -0.21 0.00 4.81 -1.99 -1.02 114.58 116.21 3fz5 h GLU 192 Ca 0.00 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3fz5 h GLU 192 Cb 0.00 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3fz5 h GLU 192 CO 0.00 0.34 0.05 2.35 -0.73 0.00 0.00 179.01 181.03 3fz5 h TRP 193 N 0.03 0.34 -0.58 0.92 2.91 -1.98 -2.38 115.95 115.21 3fz5 h TRP 193 Ca 0.00 -0.04 -0.07 0.00 1.13 0.00 0.00 58.89 59.92 3fz5 h TRP 193 Cb 0.57 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 29.10 3fz5 h TRP 193 CO 0.00 0.43 0.10 0.82 -1.03 0.00 0.00 178.44 178.77 3fz5 h ILE 194 N 0.15 1.26 -0.29 2.65 2.04 -1.83 0.62 117.51 122.10 3fz5 h ILE 194 Ca 0.07 -0.97 -0.08 0.00 1.00 0.00 0.00 64.86 64.88 3fz5 h ILE 194 Cb 0.26 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3fz5 h ILE 194 CO -0.00 0.35 -0.12 0.03 0.00 0.00 0.00 178.15 178.42 3fz5 h ARG 195 N 0.85 0.59 0.00 2.37 3.08 -1.19 -3.19 114.38 116.89 3fz5 h ARG 195 Ca 0.18 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 3fz5 h ARG 195 Cb 0.41 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3fz5 h ARG 195 CO 0.01 0.81 -0.44 1.79 -1.07 0.00 0.00 179.97 181.07 3fz5 h THR 196 N 0.34 0.20 0.00 2.04 1.35 -1.42 -3.47 112.91 111.95 3fz5 h THR 196 Ca 0.07 -1.31 0.00 0.00 -0.55 0.00 0.00 66.41 64.62 3fz5 h THR 196 Cb 0.62 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 3fz5 h THR 196 CO 0.04 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 176.03 3fz5 n GLY 197 N 1.17 0.86 0.00 5.82 0.00 0.12 -4.93 105.19 108.24 3fz5 n GLY 197 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 2.79 0.00 -0.02 0.00 -0.69 -4.96 105.19 100.31 3fz5 n GLY 198 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.11 3fz5 n GLY 198 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65