#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i50 s ILE 2 N 0.00 1.25 -0.38 2.02 1.01 -1.26 -2.53 121.20 121.31 1i50 s ILE 2 Ca 0.00 -2.05 -0.41 0.00 0.00 0.00 0.00 60.65 58.19 1i50 s ILE 2 Cb 0.00 -2.52 -0.16 0.00 0.01 0.00 0.00 42.46 39.79 1i50 s ILE 2 CO 0.00 -0.21 1.88 0.52 0.00 0.00 0.00 174.94 177.13 1i50 n VAL 3 N -0.55 0.17 -1.71 2.92 0.31 -1.26 -4.85 118.33 113.36 1i50 n VAL 3 Ca -0.04 -0.07 -0.39 0.00 -0.01 0.00 0.00 64.34 63.82 1i50 n VAL 3 Cb 0.65 -1.04 0.03 0.00 -0.91 0.00 0.00 33.84 32.57 1i50 n VAL 3 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1i50 n PRO 4 N 6.10 1.65 -0.12 5.55 -0.02 -1.26 -4.71 135.00 142.20 1i50 n PRO 4 Ca 0.36 0.60 -0.08 0.00 -2.02 0.00 0.00 63.50 62.36 1i50 n PRO 4 Cb 0.08 -2.46 -0.00 0.00 -0.02 0.00 0.00 33.50 31.10 1i50 n PRO 4 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1i50 h VAL 5 N 1.49 1.08 -3.45 -1.45 2.07 -1.92 -2.81 116.25 111.26 1i50 h VAL 5 Ca -0.50 -0.17 -0.35 0.00 0.82 0.00 0.00 66.70 66.51 1i50 h VAL 5 Cb 1.31 0.55 -0.14 0.00 -1.52 0.00 0.00 31.29 31.48 1i50 h VAL 5 CO 0.57 0.09 -0.67 -0.13 0.02 0.00 0.00 177.57 177.45 1i50 s ARG 6 N -6.16 1.23 -0.19 1.57 0.52 -1.26 -0.35 118.95 114.32 1i50 s ARG 6 Ca -0.13 -1.60 -0.29 0.00 -0.52 0.00 0.00 55.73 53.19 1i50 s ARG 6 Cb 0.11 -0.52 -0.03 0.00 0.52 0.00 0.00 34.95 35.02 1i50 s ARG 6 CO 0.72 -0.08 1.60 0.00 0.02 0.00 0.00 175.30 177.56 1i50 h PHE 8 N 10.32 0.37 0.05 0.00 0.05 -1.91 -0.99 116.94 124.82 1i50 h PHE 8 Ca -0.34 0.05 -0.00 0.00 3.82 0.00 0.00 57.97 61.50 1i50 h PHE 8 Cb 1.15 -0.01 0.00 0.00 2.00 0.00 0.00 35.95 39.09 1i50 h PHE 8 CO 0.90 -0.26 -0.03 0.77 -0.18 0.00 0.00 178.31 179.51 1i50 h SER 9 N 0.17 -0.06 0.00 2.17 0.02 -1.90 -3.42 113.55 110.53 1i50 h SER 9 Ca 0.60 -0.59 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 1i50 h SER 9 Cb 1.26 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.80 1i50 h SER 9 CO -0.70 0.63 -1.87 0.00 -1.14 0.00 0.00 176.83 173.75 1i50 n GLY 11 N 1.66 2.52 3.40 0.00 0.00 -0.39 -5.01 105.19 107.38 1i50 n GLY 11 Ca -0.09 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.43 1i50 n GLY 11 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1i50 n LYS 12 N -1.29 0.00 -2.55 1.61 0.00 -1.26 -4.42 118.16 110.25 1i50 n LYS 12 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 57.89 1i50 n LYS 12 Cb 0.00 -1.06 -0.03 0.00 0.00 0.00 0.00 35.03 33.94 1i50 n LYS 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1i50 s VAL 13 N -0.87 4.42 0.00 3.15 1.01 -1.26 -1.51 120.40 125.33 1i50 s VAL 13 Ca 0.67 1.74 0.00 0.00 0.00 0.00 0.00 61.98 64.39 1i50 s VAL 13 Cb -0.97 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 31.30 1i50 s VAL 13 CO 0.56 0.11 0.00 0.52 0.00 0.00 0.00 175.10 176.29 1i50 n VAL 14 N 4.06 0.00 1.10 2.92 0.31 0.15 -4.76 118.33 122.10 1i50 n VAL 14 Ca 0.08 -0.07 0.04 0.00 -0.01 0.00 0.00 64.34 64.38 1i50 n VAL 14 Cb 0.48 0.46 0.24 0.00 -0.91 0.00 0.00 33.84 34.12 1i50 n VAL 14 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1i50 n GLY 15 N 1.04 -0.55 0.22 2.92 0.00 0.53 -2.06 105.19 107.29 1i50 n GLY 15 Ca 0.00 -0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.06 1i50 n GLY 15 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i50 n ASP 16 N -0.73 2.56 0.00 1.61 5.75 -1.26 -4.64 116.55 119.83 1i50 n ASP 16 Ca 0.06 -3.12 0.00 0.00 -0.01 0.00 0.00 54.79 51.72 1i50 n ASP 16 Cb 0.03 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 1i50 n ASP 16 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1i50 n LYS 17 N -1.29 1.14 -0.05 0.11 5.02 -0.88 -4.86 118.16 117.36 1i50 n LYS 17 Ca 0.17 -0.86 -0.13 0.00 -2.02 0.00 0.00 58.31 55.47 1i50 n LYS 17 Cb 0.68 -0.73 -0.07 0.00 -0.02 0.00 0.00 35.03 34.89 1i50 n LYS 17 CO 0.00 0.00 0.00 2.35 -0.52 0.00 0.00 177.40 179.23 1i50 h TRP 18 N 0.00 0.38 -0.40 2.13 2.91 -1.83 -2.07 115.95 117.08 1i50 h TRP 18 Ca 0.00 -0.10 -0.13 0.00 1.13 0.00 0.00 58.89 59.78 1i50 h TRP 18 Cb 0.70 -0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 29.26 1i50 h TRP 18 CO 0.00 0.68 -0.27 0.93 -1.03 0.00 0.00 178.44 178.75 1i50 h GLU 19 N -0.02 0.88 -0.15 2.65 5.08 -1.95 -1.55 114.58 119.52 1i50 h GLU 19 Ca 0.03 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1i50 h GLU 19 Cb 0.60 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1i50 h GLU 19 CO 0.03 1.07 0.09 0.77 -1.00 0.00 0.00 179.01 179.96 1i50 h SER 20 N 0.70 0.15 -0.67 1.42 0.02 -1.89 -0.37 113.55 112.90 1i50 h SER 20 Ca 0.08 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.10 1i50 h SER 20 Cb 0.85 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 63.30 1i50 h SER 20 CO 0.07 0.11 0.36 0.22 -1.14 0.00 0.00 176.83 176.45 1i50 h TYR 21 N 0.19 0.65 -0.76 3.45 3.20 -1.28 0.24 116.97 122.66 1i50 h TYR 21 Ca 0.06 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 1i50 h TYR 21 Cb -0.01 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.03 1i50 h TYR 21 CO -0.08 0.29 0.46 1.25 -1.64 0.00 0.00 178.16 178.45 1i50 h LEU 22 N 0.65 0.91 -0.05 2.82 5.85 -0.58 -2.73 115.31 122.18 1i50 h LEU 22 Ca 0.31 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 1i50 h LEU 22 Cb 0.24 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 1i50 h LEU 22 CO -0.21 0.70 -0.03 0.78 -0.34 0.00 0.00 178.44 179.34 1i50 h ASN 23 N 1.04 0.11 -0.92 1.25 2.35 -0.10 -2.03 115.58 117.27 1i50 h ASN 23 Ca 0.27 -0.44 0.27 0.00 -0.55 0.00 0.00 56.30 55.86 1i50 h ASN 23 Cb -0.05 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.25 1i50 h ASN 23 CO -0.05 0.52 0.88 -0.07 -1.65 0.00 0.00 177.43 177.06 1i50 h LEU 24 N -0.30 0.00 0.00 1.61 3.38 -0.36 -1.67 115.31 117.97 1i50 h LEU 24 Ca 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1i50 h LEU 24 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1i50 h LEU 24 CO 0.01 0.00 -0.45 -0.07 0.09 0.00 0.00 178.44 178.02 1i50 h LEU 25 N 0.00 0.00 0.00 1.67 3.38 -1.18 -2.65 115.31 116.54 1i50 h LEU 25 Ca 0.44 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1i50 h LEU 25 Cb 2.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.95 1i50 h LEU 25 CO -0.00 0.82 0.00 1.67 0.09 0.00 0.00 178.44 181.02 1i50 n GLN 26 N -4.63 0.00 0.20 1.13 7.27 -0.66 -1.27 117.38 119.42 1i50 n GLN 26 Ca -0.09 0.06 0.14 0.00 0.07 0.00 0.00 57.00 57.17 1i50 n GLN 26 Cb 0.28 -0.93 0.73 0.00 2.41 0.00 0.00 30.24 32.73 1i50 n GLN 26 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1i50 h GLU 27 N 0.00 0.00 -0.00 3.69 5.08 -1.74 -2.60 114.58 119.01 1i50 h GLU 27 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1i50 h GLU 27 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1i50 h GLU 27 CO 0.00 0.00 -0.04 -0.25 -1.00 0.00 0.00 179.01 177.72 1i50 n ASP 28 N -2.46 1.16 -3.68 1.42 9.92 -1.18 -5.01 116.55 116.71 1i50 n ASP 28 Ca -0.02 -1.08 -0.27 0.00 -0.53 0.00 0.00 54.79 52.90 1i50 n ASP 28 Cb 0.06 0.20 -0.03 0.00 -0.64 0.00 0.00 41.12 40.71 1i50 n ASP 28 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1i50 n GLU 29 N -0.01 -2.66 -2.28 -1.24 1.02 -0.39 -4.94 120.64 110.14 1i50 n GLU 29 Ca 0.02 0.31 -0.25 0.00 -0.02 0.00 0.00 57.16 57.22 1i50 n GLU 29 Cb 0.11 -4.96 0.06 0.00 -0.02 0.00 0.00 31.44 26.63 1i50 n GLU 29 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1i50 s LEU 30 N -6.60 2.93 0.17 -4.62 1.43 -1.00 -5.03 118.68 105.97 1i50 s LEU 30 Ca 0.51 0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 54.04 1i50 s LEU 30 Cb -0.28 -3.14 -0.04 0.00 0.03 0.00 0.00 46.19 42.75 1i50 s LEU 30 CO 0.63 -1.47 0.36 1.51 0.23 0.00 0.00 176.35 177.61 1i50 s ASP 31 N -4.48 6.39 0.28 2.29 -4.77 -1.26 -4.63 116.67 110.50 1i50 s ASP 31 Ca 0.59 0.38 0.03 0.00 -3.30 0.00 0.00 52.55 50.24 1i50 s ASP 31 Cb -0.11 -2.00 0.66 0.00 -1.09 0.00 0.00 42.92 40.38 1i50 s ASP 31 CO 0.44 0.00 1.74 -0.33 0.70 0.00 0.00 175.17 177.73 1i50 h GLU 32 N 2.22 0.57 -0.01 2.11 3.07 -1.97 0.45 114.58 121.02 1i50 h GLU 32 Ca -0.47 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.35 1i50 h GLU 32 Cb 1.19 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.97 1i50 h GLU 32 CO 0.69 0.38 0.00 0.78 -1.40 0.00 0.00 179.01 179.46 1i50 h GLY 33 N 0.59 0.02 1.43 -3.84 0.00 -1.99 0.97 103.07 100.24 1i50 h GLY 33 Ca 0.53 -0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.76 1i50 h GLY 33 CO -0.42 0.01 -0.10 -0.84 0.00 0.00 0.00 176.54 175.19 1i50 h THR 34 N -0.23 1.25 0.04 4.70 2.02 -1.86 -1.74 112.91 117.09 1i50 h THR 34 Ca 0.00 -1.10 -0.00 0.00 0.77 0.00 0.00 66.41 66.08 1i50 h THR 34 Cb 0.26 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1i50 h THR 34 CO 0.00 0.37 -0.02 0.00 0.37 0.00 0.00 175.52 176.24 1i50 h ALA 35 N 1.26 -0.05 -0.85 6.16 0.00 0.03 -2.38 119.26 123.43 1i50 h ALA 35 Ca 0.11 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1i50 h ALA 35 Cb 0.54 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1i50 h ALA 35 CO 0.03 -0.46 0.56 -0.07 0.00 0.00 0.00 179.25 179.32 1i50 h LEU 36 N -0.20 0.97 -1.22 0.00 3.38 -0.61 -2.26 115.31 115.38 1i50 h LEU 36 Ca -0.01 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1i50 h LEU 36 Cb 0.18 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1i50 h LEU 36 CO 0.01 0.71 -0.22 0.28 0.09 0.00 0.00 178.44 179.30 1i50 h SER 37 N 1.15 0.25 1.04 -0.43 0.02 -1.25 -2.36 113.55 111.96 1i50 h SER 37 Ca 0.31 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 61.15 1i50 h SER 37 Cb -0.13 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 1i50 h SER 37 CO -0.07 0.49 -0.18 0.03 -1.14 0.00 0.00 176.83 175.96 1i50 h ARG 38 N 0.23 0.00 -0.06 3.45 3.08 -0.87 -2.07 114.38 118.13 1i50 h ARG 38 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1i50 h ARG 38 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1i50 h ARG 38 CO 0.04 0.18 0.00 1.28 -1.07 0.00 0.00 179.97 180.39 1i50 n LEU 39 N -3.30 0.87 0.00 3.04 4.77 -0.93 -4.90 117.00 116.54 1i50 n LEU 39 Ca 0.01 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 1i50 n LEU 39 Cb 0.43 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1i50 n LEU 39 CO 0.32 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1i50 n GLY 40 N 1.01 1.10 3.58 -0.72 0.00 -0.78 -4.98 105.19 104.39 1i50 n GLY 40 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1i50 n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i50 s LEU 41 N 0.00 3.32 -0.01 0.99 1.43 -0.96 -4.75 118.68 118.69 1i50 s LEU 41 Ca 0.00 -1.71 -0.09 0.00 -1.03 0.00 0.00 54.13 51.30 1i50 s LEU 41 Cb 0.00 -2.58 -0.30 0.00 0.03 0.00 0.00 46.19 43.33 1i50 s LEU 41 CO 0.00 -2.38 0.80 0.07 0.23 0.00 0.00 176.35 175.07 1i50 h LYS 42 N 9.38 0.36 -6.24 1.70 2.10 -1.89 -3.40 116.57 118.59 1i50 h LYS 42 Ca 0.26 -0.62 -0.57 0.00 -2.00 0.00 0.00 60.65 57.72 1i50 h LYS 42 Cb 0.94 0.23 -0.04 0.00 -0.90 0.00 0.00 32.23 32.46 1i50 h LYS 42 CO 1.30 1.26 -0.02 -0.98 -2.00 0.00 0.00 179.45 179.02 1i50 s ARG 43 N -2.60 4.23 0.58 0.07 1.70 -1.26 -4.94 118.95 116.73 1i50 s ARG 43 Ca -0.12 0.77 0.28 0.00 -0.47 0.00 0.00 55.73 56.19 1i50 s ARG 43 Cb 0.06 -3.25 1.49 0.00 -0.57 0.00 0.00 34.95 32.68 1i50 s ARG 43 CO 0.87 0.61 1.94 0.10 -1.08 0.00 0.00 175.30 177.75 1i50 h TYR 44 N 4.61 0.00 -0.67 5.89 -0.00 -1.98 0.03 116.97 124.85 1i50 h TYR 44 Ca -0.49 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.22 1i50 h TYR 44 Cb 1.21 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.91 1i50 h TYR 44 CO 0.68 0.00 0.34 0.00 -0.00 0.00 0.00 178.16 179.17 1i50 h ARG 47 N 0.11 0.16 -0.21 0.00 3.08 -0.86 -2.85 114.38 113.81 1i50 h ARG 47 Ca -0.04 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.02 1i50 h ARG 47 Cb 1.46 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.47 1i50 h ARG 47 CO 0.13 0.26 0.15 0.07 -1.07 0.00 0.00 179.97 179.51 1i50 h ARG 48 N 0.02 0.11 -0.08 0.04 -0.00 -1.30 -1.32 114.38 111.86 1i50 h ARG 48 Ca 0.04 -0.01 0.03 0.00 -0.00 0.00 0.00 59.98 60.04 1i50 h ARG 48 Cb 0.16 -0.02 -0.04 0.00 -0.00 0.00 0.00 29.97 30.07 1i50 h ARG 48 CO -0.00 0.07 -0.14 1.98 -0.00 0.00 0.00 179.97 181.88 1i50 h MET 49 N 0.11 -0.19 0.08 0.08 4.05 -1.53 -1.25 114.93 116.27 1i50 h MET 49 Ca 0.09 0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 59.43 1i50 h MET 49 Cb 0.23 0.04 0.01 0.00 -0.80 0.00 0.00 31.60 31.09 1i50 h MET 49 CO -0.01 -0.13 -0.44 0.82 0.23 0.00 0.00 176.91 177.38 1i50 h ILE 50 N -0.20 1.64 0.00 1.77 1.08 -1.53 -3.07 117.51 117.20 1i50 h ILE 50 Ca 0.07 -2.44 -0.00 0.00 -0.39 0.00 0.00 64.86 62.10 1i50 h ILE 50 Cb 0.30 3.28 -0.00 0.00 -3.07 0.00 0.00 36.82 37.34 1i50 h ILE 50 CO -0.19 0.67 -0.00 0.25 -0.69 0.00 0.00 178.15 178.18 1i50 h LEU 51 N -0.65 0.00 0.00 1.44 5.85 -1.26 -2.93 115.31 117.76 1i50 h LEU 51 Ca -0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1i50 h LEU 51 Cb 1.35 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.38 1i50 h LEU 51 CO 0.08 0.00 -0.56 0.41 -0.34 0.00 0.00 178.44 178.04 1i50 n THR 52 N -3.18 0.00 -1.81 1.05 -1.04 -0.48 -5.03 114.28 103.80 1i50 n THR 52 Ca -0.03 -0.22 -0.37 0.00 -2.04 0.00 0.00 64.05 61.39 1i50 n THR 52 Cb 0.08 1.00 0.06 0.00 -1.82 0.00 0.00 70.33 69.65 1i50 n THR 52 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 1i50 s HIS 53 N -2.11 2.16 -0.19 -1.42 5.65 -1.11 -5.02 115.29 113.26 1i50 s HIS 53 Ca 0.04 1.49 -0.01 0.00 0.25 0.00 0.00 55.06 56.84 1i50 s HIS 53 Cb 0.09 -3.64 0.05 0.00 -1.18 0.00 0.00 32.58 27.90 1i50 s HIS 53 CO 0.48 -2.74 -0.02 0.08 -0.65 0.00 0.00 174.74 171.90 1i50 s VAL 54 N -1.46 0.97 -1.46 0.89 1.01 -1.26 -5.05 120.40 114.04 1i50 s VAL 54 Ca 0.81 -0.73 -0.13 0.00 0.00 0.00 0.00 61.98 61.93 1i50 s VAL 54 Cb -0.36 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 34.73 1i50 s VAL 54 CO 0.38 -0.05 2.38 -0.67 0.00 0.00 0.00 175.10 177.14 1i50 n ASP 55 N 4.90 4.94 0.12 3.32 2.03 -1.26 -4.26 116.55 126.33 1i50 n ASP 55 Ca -0.11 -2.76 0.10 0.00 0.52 0.00 0.00 54.79 52.54 1i50 n ASP 55 Cb 0.47 -1.61 0.46 0.00 -0.72 0.00 0.00 41.12 39.72 1i50 n ASP 55 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1i50 n LEU 56 N 5.56 0.51 -0.05 -2.67 4.77 -1.09 -2.58 117.00 121.45 1i50 n LEU 56 Ca 0.58 0.67 -0.02 0.00 -0.03 0.00 0.00 56.01 57.21 1i50 n LEU 56 Cb 0.35 -0.64 0.23 0.00 -2.33 0.00 0.00 43.42 41.03 1i50 n LEU 56 CO 0.89 -0.65 0.92 -0.29 -1.33 0.00 0.00 177.39 176.93 1i50 h ILE 57 N 0.00 1.22 0.00 -0.08 2.10 -1.78 -1.62 117.51 117.35 1i50 h ILE 57 Ca 0.00 -0.87 0.00 0.00 1.08 0.00 0.00 64.86 65.07 1i50 h ILE 57 Cb 0.21 0.89 0.00 0.00 -1.09 0.00 0.00 36.82 36.83 1i50 h ILE 57 CO 0.00 0.30 0.00 -0.62 -1.08 0.00 0.00 178.15 176.75 1i50 n GLU 58 N -4.25 0.01 -0.03 2.19 -0.58 -1.07 -0.41 120.64 116.50 1i50 n GLU 58 Ca 0.02 0.33 -0.00 0.00 -0.42 0.00 0.00 57.16 57.09 1i50 n GLU 58 Cb 0.26 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.55 1i50 n GLU 58 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1i50 n LYS 59 N -1.35 1.44 -0.06 3.49 5.02 -0.65 -4.46 118.16 121.59 1i50 n LYS 59 Ca 0.01 -0.05 -0.15 0.00 -2.02 0.00 0.00 58.31 56.10 1i50 n LYS 59 Cb 0.01 -1.27 -0.07 0.00 -0.02 0.00 0.00 35.03 33.69 1i50 n LYS 59 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1i50 h PHE 60 N 0.00 0.74 0.00 2.13 0.04 -0.23 -2.91 116.94 116.72 1i50 h PHE 60 Ca -0.16 -0.27 0.00 0.00 2.80 0.00 0.00 57.97 60.34 1i50 h PHE 60 Cb 1.14 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 39.16 1i50 h PHE 60 CO 0.00 1.02 0.15 1.28 -0.60 0.00 0.00 178.31 180.16 1i50 n LEU 61 N -4.27 0.41 -0.09 1.54 4.77 0.07 -1.32 117.00 118.10 1i50 n LEU 61 Ca -0.06 0.63 0.14 0.00 -0.03 0.00 0.00 56.01 56.69 1i50 n LEU 61 Cb 0.53 -0.64 0.63 0.00 -2.33 0.00 0.00 43.42 41.61 1i50 n LEU 61 CO 0.45 -0.77 0.89 0.54 -1.33 0.00 0.00 177.39 177.17 1i50 n ARG 62 N -2.08 0.64 -3.31 3.23 1.74 -1.10 -4.79 116.66 110.98 1i50 n ARG 62 Ca -0.01 -0.19 -0.37 0.00 -0.77 0.00 0.00 57.85 56.51 1i50 n ARG 62 Cb 0.18 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.06 1i50 n ARG 62 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1i50 s TYR 63 N -2.50 3.69 0.03 -1.55 1.51 -0.44 -5.02 117.35 113.09 1i50 s TYR 63 Ca 0.29 1.16 -0.31 0.00 -1.01 0.00 0.00 57.07 57.20 1i50 s TYR 63 Cb 0.20 -2.43 -0.17 0.00 -0.11 0.00 0.00 41.96 39.45 1i50 s TYR 63 CO 0.48 0.50 1.30 -0.97 -1.11 0.00 0.00 175.55 175.74 1i50 h ASN 64 N 3.98 -0.89 -0.03 2.29 -1.24 -1.89 -3.51 115.58 114.30 1i50 h ASN 64 Ca -0.49 0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.54 1i50 h ASN 64 Cb 1.20 0.23 0.00 0.00 0.73 0.00 0.00 38.32 40.48 1i50 h ASN 64 CO 0.65 -0.54 0.00 -0.81 -1.29 0.00 0.00 177.43 175.43