#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i21 n PRO 4 N 0.00 0.48 -1.67 3.23 -0.02 -1.26 -4.87 135.00 130.88 1i21 n PRO 4 Ca 0.00 0.23 -0.45 0.00 -2.02 0.00 0.00 63.50 61.27 1i21 n PRO 4 Cb 0.00 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.02 1i21 n PRO 4 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1i21 n ASP 5 N -2.66 2.77 0.00 2.55 2.03 -1.26 -1.99 116.55 117.98 1i21 n ASP 5 Ca 0.14 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.60 1i21 n ASP 5 Cb 0.50 -1.43 0.00 0.00 -0.72 0.00 0.00 41.12 39.46 1i21 n ASP 5 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1i21 n GLY 6 N 2.09 1.19 3.55 0.27 0.00 -1.26 -5.02 105.19 106.02 1i21 n GLY 6 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1i21 n GLY 6 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i21 s PHE 7 N -2.77 2.68 0.13 1.61 0.40 -0.84 0.24 117.98 119.43 1i21 s PHE 7 Ca 0.00 -0.19 -0.07 0.00 -0.60 0.00 0.00 56.93 56.07 1i21 s PHE 7 Cb 0.00 -1.39 -0.02 0.00 0.51 0.00 0.00 43.02 42.12 1i21 s PHE 7 CO 0.00 0.43 0.19 1.52 0.70 0.00 0.00 175.22 178.05 1i21 s TYR 8 N -1.25 0.45 -0.06 0.36 -0.85 -0.95 -4.81 117.35 110.25 1i21 s TYR 8 Ca 0.21 -0.85 0.05 0.00 -0.52 0.00 0.00 57.07 55.96 1i21 s TYR 8 Cb -0.11 -0.17 -0.01 0.00 0.38 0.00 0.00 41.96 42.05 1i21 s TYR 8 CO 0.13 -0.61 -0.22 -1.50 -1.52 0.00 0.00 175.55 171.83 1i21 s ILE 9 N -3.96 1.85 0.28 -3.49 2.07 -1.26 -0.22 121.20 116.47 1i21 s ILE 9 Ca 0.15 -0.94 0.01 0.00 -1.41 0.00 0.00 60.65 58.46 1i21 s ILE 9 Cb 0.05 -1.57 -0.03 0.00 0.13 0.00 0.00 42.46 41.04 1i21 s ILE 9 CO -0.03 0.52 0.27 0.00 -1.91 0.00 0.00 174.94 173.79 1i21 s ARG 10 N -0.04 1.57 0.00 3.50 1.70 -0.95 -5.01 118.95 119.73 1i21 s ARG 10 Ca -0.05 -1.79 0.00 0.00 -0.47 0.00 0.00 55.73 53.42 1i21 s ARG 10 Cb -0.14 0.34 0.00 0.00 -0.57 0.00 0.00 34.95 34.58 1i21 s ARG 10 CO 0.04 -0.58 0.00 -2.13 -1.08 0.00 0.00 175.30 171.54 1i21 n ARG 11 N -0.47 3.21 -3.78 3.89 0.63 -1.26 -1.91 116.66 116.97 1i21 n ARG 11 Ca 0.04 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.97 1i21 n ARG 11 Cb 0.63 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.55 1i21 n ARG 11 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1i21 s GLU 13 N 0.83 0.74 0.35 -0.14 2.02 -1.26 -4.84 118.70 116.40 1i21 s GLU 13 Ca 0.00 -0.44 0.07 0.00 0.02 0.00 0.00 54.97 54.62 1i21 s GLU 13 Cb 0.00 0.23 0.76 0.00 0.10 0.00 0.00 34.13 35.22 1i21 s GLU 13 CO 0.00 -0.34 1.91 1.49 0.02 0.00 0.00 175.26 178.34 1i21 h GLU 14 N 2.00 0.73 -0.00 1.61 4.81 -1.95 -2.04 114.58 119.73 1i21 h GLU 14 Ca -0.27 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1i21 h GLU 14 Cb 1.21 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1i21 h GLU 14 CO 0.30 0.48 -0.01 0.41 -0.73 0.00 0.00 179.01 179.46 1i21 n GLY 15 N -1.44 -0.92 0.00 1.92 0.00 -1.26 -3.53 105.19 99.96 1i21 n GLY 15 Ca 0.14 -0.22 0.15 0.00 0.00 0.00 0.00 46.02 46.09 1i21 n GLY 15 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1i21 n ASP 16 N -0.91 0.00 -0.11 1.61 8.00 -0.77 -4.43 116.55 119.94 1i21 n ASP 16 Ca 0.21 -0.89 -0.05 0.00 0.71 0.00 0.00 54.79 54.77 1i21 n ASP 16 Cb 0.17 -0.02 -0.04 0.00 -0.02 0.00 0.00 41.12 41.21 1i21 n ASP 16 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1i21 h LEU 17 N 0.00 -0.83 0.32 0.64 5.85 -1.76 0.37 115.31 119.90 1i21 h LEU 17 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1i21 h LEU 17 Cb 0.02 0.35 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1i21 h LEU 17 CO 0.00 -0.13 -0.48 -0.33 -0.34 0.00 0.00 178.44 177.15 1i21 h GLU 18 N -0.09 -0.82 -0.53 1.25 3.07 -1.92 -1.01 114.58 114.53 1i21 h GLU 18 Ca 0.05 0.06 0.10 0.00 -0.50 0.00 0.00 59.36 59.07 1i21 h GLU 18 Cb 0.21 0.19 -0.09 0.00 -0.84 0.00 0.00 28.75 28.22 1i21 h GLU 18 CO -0.31 -0.55 0.02 1.96 -1.40 0.00 0.00 179.01 178.73 1i21 h GLN 19 N -0.85 0.13 -0.09 2.33 1.08 -1.76 -1.82 115.11 114.13 1i21 h GLN 19 Ca -0.03 -0.01 -0.09 0.00 -1.45 0.00 0.00 58.65 57.07 1i21 h GLN 19 Cb 0.79 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.18 1i21 h GLN 19 CO -0.16 0.09 -0.37 0.28 -0.95 0.00 0.00 178.83 177.72 1i21 h VAL 20 N 0.14 1.29 -0.16 -0.54 2.07 -0.11 -2.81 116.25 116.12 1i21 h VAL 20 Ca 0.27 -1.39 -0.03 0.00 0.82 0.00 0.00 66.70 66.37 1i21 h VAL 20 Cb 0.42 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1i21 h VAL 20 CO -0.43 0.41 -0.04 0.71 0.02 0.00 0.00 177.57 178.25 1i21 h THR 21 N 0.17 1.29 0.00 2.57 1.35 -0.37 -0.77 112.91 117.14 1i21 h THR 21 Ca 0.02 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 1i21 h THR 21 Cb 0.73 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 1i21 h THR 21 CO 0.06 0.29 0.00 1.05 -0.25 0.00 0.00 175.52 176.67 1i21 h GLU 22 N 0.01 0.00 0.00 4.72 4.11 -1.35 0.38 114.58 122.45 1i21 h GLU 22 Ca 0.04 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.18 1i21 h GLU 22 Cb 0.46 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 1i21 h GLU 22 CO 0.02 0.00 -1.66 1.79 0.07 0.00 0.00 179.01 179.22 1i21 h THR 23 N 0.00 0.90 0.00 -1.06 1.35 -1.22 -3.33 112.91 109.55 1i21 h THR 23 Ca 0.00 -2.75 -0.04 0.00 -0.55 0.00 0.00 66.41 63.07 1i21 h THR 23 Cb 0.35 2.44 -0.01 0.00 -1.73 0.00 0.00 68.15 69.21 1i21 h THR 23 CO 0.00 0.51 -0.21 -0.07 -0.25 0.00 0.00 175.52 175.50 1i21 h LEU 24 N 0.00 0.00 -2.22 3.87 3.38 -0.58 -2.97 115.31 116.79 1i21 h LEU 24 Ca -0.27 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.71 1i21 h LEU 24 Cb 2.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.75 1i21 h LEU 24 CO 0.08 0.21 0.26 0.11 0.09 0.00 0.00 178.44 179.20 1i21 h LYS 25 N 0.00 0.00 -0.27 1.13 1.57 -1.04 0.95 116.57 118.90 1i21 h LYS 25 Ca -0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1i21 h LYS 25 Cb 0.91 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 1i21 h LYS 25 CO 0.03 0.00 -0.46 0.28 -0.57 0.00 0.00 179.45 178.72 1i21 h VAL 26 N 0.00 1.29 0.07 0.50 2.07 -1.72 -3.36 116.25 115.10 1i21 h VAL 26 Ca 0.01 -1.66 -0.00 0.00 0.82 0.00 0.00 66.70 65.87 1i21 h VAL 26 Cb 0.53 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1i21 h VAL 26 CO -0.00 0.53 -0.04 0.25 0.02 0.00 0.00 177.57 178.34 1i21 h LEU 27 N 0.57 -0.08 0.00 2.57 5.85 -1.01 -3.50 115.31 119.71 1i21 h LEU 27 Ca 0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1i21 h LEU 27 Cb 1.02 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1i21 h LEU 27 CO 0.10 0.25 0.00 0.35 -0.34 0.00 0.00 178.44 178.79 1i21 n THR 28 N -3.97 0.00 -2.26 1.05 -2.24 -1.10 -5.13 114.28 100.64 1i21 n THR 28 Ca -0.01 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.35 1i21 n THR 28 Cb 0.04 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.24 1i21 n THR 28 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1i21 s THR 29 N -2.45 3.30 -0.19 4.28 2.01 -1.26 -4.16 115.64 117.17 1i21 s THR 29 Ca 0.00 1.08 -0.15 0.00 0.31 0.00 0.00 61.69 62.93 1i21 s THR 29 Cb 0.00 -3.69 -0.08 0.00 0.01 0.00 0.00 72.50 68.75 1i21 s THR 29 CO 0.00 0.16 -0.32 0.52 -0.69 0.00 0.00 174.62 174.29 1i21 n VAL 30 N 2.59 1.45 -0.99 3.82 0.31 -1.26 -5.01 118.33 119.23 1i21 n VAL 30 Ca 0.06 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1i21 n VAL 30 Cb 0.43 -2.11 0.00 0.00 -0.91 0.00 0.00 33.84 31.25 1i21 n VAL 30 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1i21 n GLY 31 N 1.55 -1.80 3.51 2.92 0.00 -1.26 -4.85 105.19 105.26 1i21 n GLY 31 Ca -0.27 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 1i21 n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i21 s THR 32 N 0.00 5.03 -0.12 2.61 2.01 -1.26 -5.03 115.64 118.88 1i21 s THR 32 Ca 0.00 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 61.96 1i21 s THR 32 Cb 0.00 -4.03 0.02 0.00 0.01 0.00 0.00 72.50 68.50 1i21 s THR 32 CO 0.00 -0.37 -0.12 -0.63 -0.69 0.00 0.00 174.62 172.81 1i21 s ILE 33 N 2.32 1.31 0.57 1.82 1.01 -1.26 -5.12 121.20 121.86 1i21 s ILE 33 Ca 0.16 -0.49 -0.15 0.00 0.00 0.00 0.00 60.65 60.17 1i21 s ILE 33 Cb -0.16 -1.26 -0.05 0.00 0.01 0.00 0.00 42.46 41.00 1i21 s ILE 33 CO 0.14 0.41 1.02 0.42 0.00 0.00 0.00 174.94 176.93 1i21 s THR 34 N 1.42 4.38 0.37 2.92 -4.23 -1.26 -4.90 115.64 114.34 1i21 s THR 34 Ca 0.01 1.01 0.06 0.00 -1.18 0.00 0.00 61.69 61.60 1i21 s THR 34 Cb -0.13 -3.65 0.18 0.00 1.34 0.00 0.00 72.50 70.23 1i21 s THR 34 CO -0.07 -0.78 1.92 1.55 -0.54 0.00 0.00 174.62 176.71 1i21 h PRO 35 N 0.37 0.44 0.04 3.99 0.13 -1.99 -1.26 132.00 133.72 1i21 h PRO 35 Ca -0.46 -0.08 -0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1i21 h PRO 35 Cb 1.20 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1i21 h PRO 35 CO 0.60 0.46 -0.02 0.93 -0.23 0.00 0.00 178.00 179.74 1i21 h GLU 36 N 0.43 -0.06 -0.21 0.86 5.08 -1.99 -1.11 114.58 117.58 1i21 h GLU 36 Ca 0.10 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1i21 h GLU 36 Cb 0.27 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 1i21 h GLU 36 CO 0.01 0.06 -0.01 0.77 -1.00 0.00 0.00 179.01 178.84 1i21 h SER 37 N -0.16 -0.10 -0.42 1.42 0.02 -1.87 -2.15 113.55 110.30 1i21 h SER 37 Ca -0.01 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 1i21 h SER 37 Cb 0.15 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 1i21 h SER 37 CO 0.01 -0.02 0.11 0.15 -1.14 0.00 0.00 176.83 175.94 1i21 h PHE 38 N 0.06 0.75 -0.83 3.45 3.57 -1.16 -1.09 116.94 121.68 1i21 h PHE 38 Ca 0.10 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 1i21 h PHE 38 Cb 0.13 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.61 1i21 h PHE 38 CO -0.18 0.64 0.38 0.00 -2.23 0.00 0.00 178.31 176.91 1i21 h LYS 40 N 1.19 0.86 -0.70 0.00 1.57 -0.69 -1.91 116.57 116.90 1i21 h LYS 40 Ca 0.28 -0.39 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 1i21 h LYS 40 Cb 0.15 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 1i21 h LYS 40 CO -0.03 1.03 0.29 1.25 -0.57 0.00 0.00 179.45 181.42 1i21 h LEU 41 N 0.74 0.96 -1.05 2.94 5.85 -0.71 -0.42 115.31 123.62 1i21 h LEU 41 Ca 0.09 -0.17 -0.09 0.00 0.84 0.00 0.00 57.88 58.55 1i21 h LEU 41 Cb 0.83 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1i21 h LEU 41 CO 0.07 0.86 -0.30 0.40 -0.34 0.00 0.00 178.44 179.14 1i21 h ILE 42 N 0.99 1.27 0.12 4.05 1.08 -1.12 0.98 117.51 124.87 1i21 h ILE 42 Ca 0.23 -1.27 -0.01 0.00 -0.39 0.00 0.00 64.86 63.43 1i21 h ILE 42 Cb 0.20 1.47 0.00 0.00 -3.07 0.00 0.00 36.82 35.42 1i21 h ILE 42 CO -0.02 0.39 -0.06 0.50 -0.69 0.00 0.00 178.15 178.27 1i21 h LYS 43 N 0.27 -0.15 0.03 2.37 3.64 -0.73 0.21 116.57 122.21 1i21 h LYS 43 Ca 0.04 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1i21 h LYS 43 Cb 0.67 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.49 1i21 h LYS 43 CO 0.05 -0.05 -0.15 -0.92 -2.27 0.00 0.00 179.45 176.11 1i21 h TYR 44 N -0.21 -0.38 0.00 1.91 3.20 -0.71 -0.79 116.97 119.99 1i21 h TYR 44 Ca -0.02 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1i21 h TYR 44 Cb 0.17 0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.60 1i21 h TYR 44 CO -0.05 -0.22 -0.06 -1.49 -1.64 0.00 0.00 178.16 174.70 1i21 h TRP 45 N -0.26 0.00 -0.01 -3.82 6.55 -0.53 -1.16 115.95 116.71 1i21 h TRP 45 Ca 0.04 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.88 1i21 h TRP 45 Cb 0.31 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.61 1i21 h TRP 45 CO -0.19 0.06 -0.22 0.09 -1.05 0.00 0.00 178.44 177.13 1i21 n ASN 46 N -3.60 1.63 -0.04 -3.49 3.02 0.70 -4.30 115.26 109.19 1i21 n ASN 46 Ca -0.02 -1.32 -0.03 0.00 -0.03 0.00 0.00 54.58 53.18 1i21 n ASN 46 Cb 0.16 0.17 -0.08 0.00 -0.61 0.00 0.00 39.78 39.42 1i21 n ASN 46 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1i21 n GLU 47 N -0.05 1.97 -2.10 3.52 0.28 -0.40 -4.98 120.64 118.89 1i21 n GLU 47 Ca 0.13 -0.02 -0.42 0.00 -0.16 0.00 0.00 57.16 56.69 1i21 n GLU 47 Cb 0.41 -1.25 -0.03 0.00 1.43 0.00 0.00 31.44 32.00 1i21 n GLU 47 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1i21 s ALA 48 N -2.34 3.63 0.20 -1.84 0.00 -0.54 -4.99 121.76 115.87 1i21 s ALA 48 Ca -0.05 0.84 0.11 0.00 0.00 0.00 0.00 51.96 52.86 1i21 s ALA 48 Cb 0.04 -3.72 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 1i21 s ALA 48 CO 0.41 -1.34 -0.22 0.95 0.00 0.00 0.00 175.76 175.56 1i21 s THR 49 N 3.88 2.25 -0.24 0.00 -4.23 -1.26 -2.18 115.64 113.86 1i21 s THR 49 Ca 0.69 -2.06 -0.12 0.00 -1.18 0.00 0.00 61.69 59.02 1i21 s THR 49 Cb -0.31 -2.09 -0.05 0.00 1.34 0.00 0.00 72.50 71.40 1i21 s THR 49 CO 0.26 -0.21 0.22 -0.69 -0.54 0.00 0.00 174.62 173.67 1i21 s VAL 50 N -1.89 5.32 0.19 2.29 1.01 0.86 -4.74 120.40 123.44 1i21 s VAL 50 Ca 0.21 0.30 -0.33 0.00 0.00 0.00 0.00 61.98 62.16 1i21 s VAL 50 Cb -0.07 -3.56 -0.13 0.00 0.00 0.00 0.00 36.38 32.63 1i21 s VAL 50 CO 0.10 0.31 1.65 1.87 0.00 0.00 0.00 175.10 179.03 1i21 n TRP 51 N 4.41 2.54 -3.83 5.22 -0.00 -1.26 -4.45 117.44 120.07 1i21 n TRP 51 Ca -0.13 0.15 -0.09 0.00 -0.00 0.00 0.00 57.50 57.43 1i21 n TRP 51 Cb 0.52 -2.61 -0.07 0.00 -0.00 0.00 0.00 31.31 29.15 1i21 n TRP 51 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 1i21 s ASN 52 N 1.02 0.08 -0.32 5.87 4.22 -1.26 -5.06 114.94 119.49 1i21 s ASN 52 Ca 0.76 -0.61 0.08 0.00 -2.14 0.00 0.00 52.86 50.95 1i21 s ASN 52 Cb -0.58 0.35 0.52 0.00 1.28 0.00 0.00 41.25 42.83 1i21 s ASN 52 CO 0.35 -0.74 1.52 -0.90 -2.04 0.00 0.00 177.10 175.29 1i21 n ASP 53 N -0.08 2.82 -4.81 3.54 5.68 -1.26 -4.98 116.55 117.47 1i21 n ASP 53 Ca -0.15 -3.78 -0.32 0.00 -0.50 0.00 0.00 54.79 50.03 1i21 n ASP 53 Cb 0.63 -0.66 0.02 0.00 -1.14 0.00 0.00 41.12 39.96 1i21 n ASP 53 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 1i21 s ASN 54 N -2.43 5.74 0.04 -1.12 0.02 -1.26 -4.97 114.94 110.96 1i21 s ASN 54 Ca 0.47 1.79 -0.25 0.00 -1.02 0.00 0.00 52.86 53.85 1i21 s ASN 54 Cb 0.42 -2.53 -0.17 0.00 0.02 0.00 0.00 41.25 38.99 1i21 s ASN 54 CO 0.01 -1.19 1.50 -0.08 0.02 0.00 0.00 177.10 177.35 1i21 h GLU 55 N 0.30 -0.14 -2.00 -0.60 4.57 -2.07 -3.38 114.58 111.25 1i21 h GLU 55 Ca -0.46 0.01 -0.49 0.00 -1.18 0.00 0.00 59.36 57.23 1i21 h GLU 55 Cb 1.22 0.03 -0.40 0.00 -0.16 0.00 0.00 28.75 29.44 1i21 h GLU 55 CO 0.57 0.09 -1.18 -3.47 -1.18 0.00 0.00 179.01 173.85 1i21 n ASP 56 N -5.05 0.82 -4.00 1.04 2.03 -1.26 -5.07 116.55 105.06 1i21 n ASP 56 Ca -0.08 -2.99 -0.25 0.00 0.52 0.00 0.00 54.79 51.99 1i21 n ASP 56 Cb 0.16 -0.62 -0.17 0.00 -0.72 0.00 0.00 41.12 39.78 1i21 n ASP 56 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1i21 s LYS 57 N -2.31 1.69 -0.16 -0.67 2.20 -1.26 -5.11 119.74 114.11 1i21 s LYS 57 Ca 0.40 -0.39 -0.05 0.00 -0.36 0.00 0.00 55.97 55.57 1i21 s LYS 57 Cb 0.33 -1.46 -0.03 0.00 -1.51 0.00 0.00 37.83 35.16 1i21 s LYS 57 CO -0.08 -0.04 0.00 0.21 -0.36 0.00 0.00 175.35 175.08 1i21 s LYS 58 N 0.88 3.73 0.00 4.03 2.20 -1.26 -4.83 119.74 124.49 1i21 s LYS 58 Ca -0.10 -0.45 0.00 0.00 -0.36 0.00 0.00 55.97 55.06 1i21 s LYS 58 Cb -0.15 -3.01 0.00 0.00 -1.51 0.00 0.00 37.83 33.16 1i21 s LYS 58 CO 0.01 0.29 0.00 -0.89 -0.36 0.00 0.00 175.35 174.40 1i21 n ILE 59 N 3.41 0.00 -0.03 5.43 5.41 -1.26 -5.07 119.36 127.25 1i21 n ILE 59 Ca -0.17 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.53 1i21 n ILE 59 Cb 0.52 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.44 1i21 n ILE 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1i21 n GLN 61 N 0.00 0.11 -4.23 0.38 6.02 -0.92 -0.10 117.38 118.63 1i21 n GLN 61 Ca 0.00 0.05 -0.35 0.00 -0.01 0.00 0.00 57.00 56.68 1i21 n GLN 61 Cb 0.00 -0.74 -0.09 0.00 1.02 0.00 0.00 30.24 30.43 1i21 n GLN 61 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1i21 s TYR 62 N -2.10 3.28 -0.46 1.08 1.51 -1.26 -0.23 117.35 119.17 1i21 s TYR 62 Ca -0.07 0.27 0.06 0.00 -1.01 0.00 0.00 57.07 56.33 1i21 s TYR 62 Cb 0.03 -1.84 0.22 0.00 -0.11 0.00 0.00 41.96 40.26 1i21 s TYR 62 CO 0.09 0.52 0.51 0.09 -1.11 0.00 0.00 175.55 175.66 1i21 n ASN 63 N 2.16 0.79 -4.80 2.29 4.13 -1.03 -4.93 115.26 113.87 1i21 n ASN 63 Ca -0.19 -2.77 -0.30 0.00 1.68 0.00 0.00 54.58 53.00 1i21 n ASN 63 Cb 0.54 -0.63 0.09 0.00 -1.54 0.00 0.00 39.78 38.24 1i21 n ASN 63 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1i21 s PRO 64 N -1.11 2.10 -0.30 3.52 0.04 -1.26 -3.37 135.00 134.62 1i21 s PRO 64 Ca 0.35 0.69 -0.24 0.00 0.04 0.00 0.00 61.00 61.83 1i21 s PRO 64 Cb 0.12 -1.92 0.19 0.00 0.04 0.00 0.00 34.50 32.94 1i21 s PRO 64 CO -0.12 -1.62 1.41 0.14 0.04 0.00 0.00 177.00 176.85 1i21 s VAL 66 N -3.13 0.00 -0.24 -0.36 -7.23 -0.80 -4.46 120.40 104.19 1i21 s VAL 66 Ca 0.61 0.00 -0.09 0.00 -1.81 0.00 0.00 61.98 60.69 1i21 s VAL 66 Cb -0.15 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.75 1i21 s VAL 66 CO 0.54 0.00 0.12 -0.63 -0.31 0.00 0.00 175.10 174.82 1i21 s ILE 67 N 0.17 4.91 -0.10 -0.62 1.01 0.97 -2.25 121.20 125.28 1i21 s ILE 67 Ca 0.05 0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.71 1i21 s ILE 67 Cb -0.05 -3.28 -0.03 0.00 0.01 0.00 0.00 42.46 39.11 1i21 s ILE 67 CO -0.15 0.35 -0.02 -0.69 0.00 0.00 0.00 174.94 174.43 1i21 s VAL 68 N 1.17 4.07 -0.35 2.92 1.01 0.69 -0.23 120.40 129.68 1i21 s VAL 68 Ca 0.06 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.42 1i21 s VAL 68 Cb -0.14 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.53 1i21 s VAL 68 CO 0.05 0.57 1.20 -0.62 0.00 0.00 0.00 175.10 176.29 1i21 s ASP 69 N -0.47 6.73 0.54 3.32 3.68 -0.01 -2.25 116.67 128.20 1i21 s ASP 69 Ca 0.08 0.98 0.22 0.00 2.13 0.00 0.00 52.55 55.96 1i21 s ASP 69 Cb -0.12 -2.54 1.46 0.00 -1.45 0.00 0.00 42.92 40.27 1i21 s ASP 69 CO 0.02 -1.07 2.16 0.50 0.13 0.00 0.00 175.17 176.91 1i21 h LYS 70 N 8.97 0.00 -0.48 4.34 3.64 0.28 0.56 116.57 133.88 1i21 h LYS 70 Ca -0.24 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.21 1i21 h LYS 70 Cb 1.08 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.84 1i21 h LYS 70 CO 1.06 0.04 0.16 0.00 -2.27 0.00 0.00 179.45 178.43 1i21 h ARG 71 N 0.00 0.31 0.00 1.90 3.08 -1.90 -3.31 114.38 114.46 1i21 h ARG 71 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1i21 h ARG 71 Cb 0.08 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1i21 h ARG 71 CO 0.01 0.21 0.00 0.25 -1.07 0.00 0.00 179.97 179.36 1i21 n THR 72 N -5.02 0.50 -2.43 2.04 -2.24 -1.04 -5.01 114.28 101.07 1i21 n THR 72 Ca 0.05 -0.51 -0.16 0.00 -2.27 0.00 0.00 64.05 61.15 1i21 n THR 72 Cb 0.20 0.78 -0.01 0.00 -2.10 0.00 0.00 70.33 69.20 1i21 n THR 72 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1i21 n GLU 73 N -0.25 -2.01 -3.80 -0.78 -0.58 0.19 -4.97 120.64 108.44 1i21 n GLU 73 Ca 0.00 0.77 -0.37 0.00 -0.42 0.00 0.00 57.16 57.15 1i21 n GLU 73 Cb 0.35 -5.40 -0.06 0.00 -0.57 0.00 0.00 31.44 25.76 1i21 n GLU 73 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1i21 s THR 74 N -2.80 5.40 -0.02 2.62 -4.23 -1.21 -4.79 115.64 110.61 1i21 s THR 74 Ca 0.00 0.28 -0.30 0.00 -1.18 0.00 0.00 61.69 60.49 1i21 s THR 74 Cb -0.00 -3.48 -0.06 0.00 1.34 0.00 0.00 72.50 70.30 1i21 s THR 74 CO 0.00 0.56 1.51 -0.69 -0.54 0.00 0.00 174.62 175.46 1i21 s VAL 75 N -1.09 3.61 -0.08 2.29 1.01 -1.26 -0.83 120.40 124.04 1i21 s VAL 75 Ca 0.19 0.92 0.21 0.00 0.00 0.00 0.00 61.98 63.30 1i21 s VAL 75 Cb -0.13 -3.59 -0.27 0.00 0.00 0.00 0.00 36.38 32.39 1i21 s VAL 75 CO 0.08 -0.03 0.52 0.00 0.00 0.00 0.00 175.10 175.67 1i21 n ALA 76 N 6.08 2.57 -3.54 5.51 0.00 0.68 -4.75 120.51 127.06 1i21 n ALA 76 Ca 0.15 -0.58 -0.11 0.00 0.00 0.00 0.00 53.44 52.89 1i21 n ALA 76 Cb 0.43 -0.74 -0.04 0.00 0.00 0.00 0.00 19.45 19.10 1i21 n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i21 s ALA 77 N -3.35 -1.85 -0.04 0.00 0.00 -1.07 0.13 121.76 115.58 1i21 s ALA 77 Ca -0.07 1.31 -0.05 0.00 0.00 0.00 0.00 51.96 53.16 1i21 s ALA 77 Cb 0.12 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.09 1i21 s ALA 77 CO 0.88 -0.45 0.12 -0.08 0.00 0.00 0.00 175.76 176.23 1i21 s THR 78 N -1.84 0.02 0.13 0.00 -1.32 -0.46 -0.02 115.64 112.14 1i21 s THR 78 Ca -0.01 -0.14 -0.18 0.00 -1.21 0.00 0.00 61.69 60.14 1i21 s THR 78 Cb -0.01 -0.23 0.05 0.00 -1.51 0.00 0.00 72.50 70.80 1i21 s THR 78 CO -0.01 -0.08 0.46 -0.83 -2.21 0.00 0.00 174.62 171.96 1i21 s GLY 79 N -0.22 -0.38 0.04 6.08 0.00 -1.26 -0.78 107.32 110.80 1i21 s GLY 79 Ca -0.03 0.15 0.01 0.00 0.00 0.00 0.00 44.72 44.86 1i21 s GLY 79 CO 0.00 -0.13 -0.06 0.21 0.00 0.00 0.00 173.10 173.12 1i21 s ASN 80 N -2.70 0.66 -0.08 1.64 3.84 -0.82 -4.48 114.94 112.99 1i21 s ASN 80 Ca 0.02 -0.57 -0.01 0.00 0.21 0.00 0.00 52.86 52.51 1i21 s ASN 80 Cb 0.01 0.06 0.03 0.00 -0.55 0.00 0.00 41.25 40.80 1i21 s ASN 80 CO -0.11 -0.26 -0.03 -0.51 -2.79 0.00 0.00 177.10 173.40 1i21 s ILE 81 N -1.60 0.61 -0.22 -5.21 2.07 -1.22 -0.09 121.20 115.55 1i21 s ILE 81 Ca -0.10 -0.03 -0.11 0.00 -1.41 0.00 0.00 60.65 59.00 1i21 s ILE 81 Cb -0.09 -0.71 -0.05 0.00 0.13 0.00 0.00 42.46 41.75 1i21 s ILE 81 CO -0.01 0.29 0.16 -0.63 -1.91 0.00 0.00 174.94 172.85 1i21 s ILE 82 N 1.80 5.37 -0.15 2.00 1.09 0.19 -2.47 121.20 129.03 1i21 s ILE 82 Ca 0.04 0.22 -0.13 0.00 -1.10 0.00 0.00 60.65 59.68 1i21 s ILE 82 Cb -0.13 -3.50 -0.05 0.00 -1.06 0.00 0.00 42.46 37.73 1i21 s ILE 82 CO -0.06 0.39 0.26 -0.63 -0.10 0.00 0.00 174.94 174.80 1i21 s ILE 83 N 0.71 5.32 0.07 2.92 -1.09 0.68 -0.25 121.20 129.56 1i21 s ILE 83 Ca 0.09 0.48 0.08 0.00 -2.23 0.00 0.00 60.65 59.07 1i21 s ILE 83 Cb -0.12 -3.59 -0.03 0.00 -1.58 0.00 0.00 42.46 37.13 1i21 s ILE 83 CO 0.02 0.43 -0.23 -0.70 -1.23 0.00 0.00 174.94 173.23 1i21 s GLU 84 N 0.22 1.39 -0.20 2.79 2.12 -0.50 -4.77 118.70 119.74 1i21 s GLU 84 Ca 0.15 -1.09 -0.07 0.00 0.36 0.00 0.00 54.97 54.33 1i21 s GLU 84 Cb -0.13 -1.61 -0.03 0.00 0.26 0.00 0.00 34.13 32.62 1i21 s GLU 84 CO 0.04 0.40 0.05 1.03 -0.54 0.00 0.00 175.26 176.23 1i21 s ARG 85 N -1.50 3.82 0.47 4.30 1.81 -1.26 -1.44 118.95 125.15 1i21 s ARG 85 Ca 0.09 -0.42 0.05 0.00 -1.72 0.00 0.00 55.73 53.73 1i21 s ARG 85 Cb -0.09 -3.20 -0.02 0.00 -0.45 0.00 0.00 34.95 31.18 1i21 s ARG 85 CO 0.03 0.12 0.18 0.15 -0.68 0.00 0.00 175.30 175.09 1i21 s LYS 86 N 0.78 2.20 -0.16 3.54 1.02 -0.29 -5.00 119.74 121.82 1i21 s LYS 86 Ca 0.03 -2.06 -0.16 0.00 0.02 0.00 0.00 55.97 53.79 1i21 s LYS 86 Cb -0.14 -1.86 -0.23 0.00 -0.52 0.00 0.00 37.83 35.09 1i21 s LYS 86 CO 0.02 -0.31 0.33 0.82 -0.92 0.00 0.00 175.35 175.29 1i21 h ILE 87 N 1.26 0.86 -3.37 2.17 2.04 -1.92 -3.18 117.51 115.38 1i21 h ILE 87 Ca -0.42 -2.27 -0.50 0.00 1.00 0.00 0.00 64.86 62.68 1i21 h ILE 87 Cb 1.28 2.41 0.22 0.00 -0.74 0.00 0.00 36.82 39.98 1i21 h ILE 87 CO 0.69 0.56 -0.37 2.30 0.00 0.00 0.00 178.15 181.33 1i21 n ILE 88 N -4.07 0.00 -3.72 -0.67 -5.35 -1.26 0.59 119.36 104.88 1i21 n ILE 88 Ca -0.31 -0.21 -0.25 0.00 -0.27 0.00 0.00 62.75 61.71 1i21 n ILE 88 Cb 0.82 -0.79 0.05 0.00 -1.74 0.00 0.00 39.64 37.99 1i21 n ILE 88 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1i21 n HIS 89 N -4.21 -2.37 -3.41 4.28 8.25 -1.26 -1.27 115.22 115.22 1i21 n HIS 89 Ca 0.06 0.93 -0.17 0.00 -0.26 0.00 0.00 57.72 58.28 1i21 n HIS 89 Cb 0.55 -4.52 0.09 0.00 1.12 0.00 0.00 29.99 27.23 1i21 n HIS 89 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1i21 n GLU 90 N -4.62 -6.18 -3.43 -0.41 1.02 -1.24 -2.88 120.64 102.92 1i21 n GLU 90 Ca -0.09 0.85 -0.21 0.00 -0.02 0.00 0.00 57.16 57.70 1i21 n GLU 90 Cb 0.59 -5.86 0.05 0.00 -0.02 0.00 0.00 31.44 26.19 1i21 n GLU 90 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1i21 n LEU 91 N -4.04 -4.48 -4.93 -4.62 4.77 0.20 -4.95 117.00 98.95 1i21 n LEU 91 Ca -0.27 -0.77 -0.25 0.00 -0.03 0.00 0.00 56.01 54.69 1i21 n LEU 91 Cb 0.67 -2.82 0.01 0.00 -2.33 0.00 0.00 43.42 38.94 1i21 n LEU 91 CO 0.61 0.12 0.39 -0.83 -1.33 0.00 0.00 177.39 176.34 1i21 s GLY 92 N -3.36 1.54 -0.17 -0.72 0.00 -0.40 -4.73 107.32 99.48 1i21 s GLY 92 Ca 0.39 -0.81 -0.09 0.00 0.00 0.00 0.00 44.72 44.21 1i21 s GLY 92 CO 0.80 -0.61 0.14 1.08 0.00 0.00 0.00 173.10 174.51 1i21 s LEU 93 N -4.71 4.26 -0.07 0.66 1.43 -1.26 -1.14 118.68 117.86 1i21 s LEU 93 Ca 0.49 0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.94 1i21 s LEU 93 Cb -0.10 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 44.02 1i21 s LEU 93 CO 0.42 0.24 -0.17 0.00 0.23 0.00 0.00 176.35 177.06 1i21 s GLY 95 N 0.39 2.30 -0.19 0.00 0.00 -0.10 -1.41 107.32 108.31 1i21 s GLY 95 Ca -0.13 -0.46 0.00 0.00 0.00 0.00 0.00 44.72 44.14 1i21 s GLY 95 CO 0.05 -0.26 -0.06 0.30 0.00 0.00 0.00 173.10 173.12 1i21 s HIS 96 N -1.40 2.02 -0.12 1.90 3.76 0.66 -0.54 115.29 121.57 1i21 s HIS 96 Ca 0.32 -1.35 -0.21 0.00 -0.15 0.00 0.00 55.06 53.67 1i21 s HIS 96 Cb -0.14 -1.45 -0.03 0.00 1.11 0.00 0.00 32.58 32.07 1i21 s HIS 96 CO 0.18 -0.68 0.63 0.42 -0.85 0.00 0.00 174.74 174.43 1i21 s ILE 97 N 1.53 5.07 0.24 0.60 1.01 0.18 0.55 121.20 130.38 1i21 s ILE 97 Ca -0.01 1.25 0.03 0.00 0.00 0.00 0.00 60.65 61.92 1i21 s ILE 97 Cb -0.16 -3.96 -0.05 0.00 0.01 0.00 0.00 42.46 38.30 1i21 s ILE 97 CO -0.08 0.22 0.01 -1.61 0.00 0.00 0.00 174.94 173.49 1i21 s GLU 98 N 1.15 1.38 -1.29 2.79 0.41 0.87 -4.56 118.70 119.45 1i21 s GLU 98 Ca 0.32 -1.71 -0.28 0.00 -0.41 0.00 0.00 54.97 52.89 1i21 s GLU 98 Cb -0.16 -0.60 0.04 0.00 -1.78 0.00 0.00 34.13 31.63 1i21 s GLU 98 CO 0.13 -0.13 0.52 -0.25 -0.49 0.00 0.00 175.26 175.05 1i21 n ASP 99 N -0.45 -2.94 -4.69 -0.19 8.00 -1.26 -1.94 116.55 113.08 1i21 n ASP 99 Ca -0.04 -1.30 -0.42 0.00 0.71 0.00 0.00 54.79 53.73 1i21 n ASP 99 Cb 0.64 -1.57 -0.03 0.00 -0.02 0.00 0.00 41.12 40.15 1i21 n ASP 99 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1i21 s ILE 100 N -3.73 4.77 -0.09 0.53 -1.09 -1.26 -4.20 121.20 116.13 1i21 s ILE 100 Ca 0.39 2.03 -0.04 0.00 -2.23 0.00 0.00 60.65 60.80 1i21 s ILE 100 Cb -0.22 -4.30 0.05 0.00 -1.58 0.00 0.00 42.46 36.41 1i21 s ILE 100 CO 0.98 0.02 0.18 0.00 -1.23 0.00 0.00 174.94 174.88 1i21 s ALA 101 N 1.92 -0.27 -0.09 9.38 0.00 0.04 -4.93 121.76 127.81 1i21 s ALA 101 Ca 0.49 0.68 -0.17 0.00 0.00 0.00 0.00 51.96 52.96 1i21 s ALA 101 Cb -0.19 -0.74 -0.05 0.00 0.00 0.00 0.00 23.12 22.15 1i21 s ALA 101 CO 0.19 -0.44 0.43 0.08 0.00 0.00 0.00 175.76 176.02 1i21 s VAL 102 N 1.95 5.16 0.34 0.00 1.01 -1.26 -1.35 120.40 126.24 1i21 s VAL 102 Ca -0.01 0.87 -0.28 0.00 0.00 0.00 0.00 61.98 62.55 1i21 s VAL 102 Cb -0.12 -3.76 -0.10 0.00 0.00 0.00 0.00 36.38 32.40 1i21 s VAL 102 CO -0.06 0.40 1.29 0.21 0.00 0.00 0.00 175.10 176.93 1i21 s ASN 103 N 0.18 6.76 0.37 3.32 3.84 0.12 -4.83 114.94 124.69 1i21 s ASN 103 Ca 0.24 2.65 0.08 0.00 0.21 0.00 0.00 52.86 56.04 1i21 s ASN 103 Cb -0.15 -2.65 0.79 0.00 -0.55 0.00 0.00 41.25 38.69 1i21 s ASN 103 CO 0.10 -0.54 1.94 0.77 -2.79 0.00 0.00 177.10 176.58 1i21 h SER 104 N 3.32 0.63 0.36 -4.21 4.64 -1.91 0.66 113.55 117.04 1i21 h SER 104 Ca -0.49 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1i21 h SER 104 Cb 1.23 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1i21 h SER 104 CO 0.65 0.38 0.00 0.11 -0.87 0.00 0.00 176.83 177.11 1i21 h LYS 105 N 0.70 0.00 -0.13 4.77 1.57 -1.94 -2.89 116.57 118.65 1i21 h LYS 105 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1i21 h LYS 105 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1i21 h LYS 105 CO -0.12 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.42 1i21 n TYR 106 N -2.86 0.31 -1.58 -1.35 4.02 0.19 -5.05 117.16 110.84 1i21 n TYR 106 Ca -0.01 -0.73 -0.30 0.00 -0.01 0.00 0.00 57.90 56.85 1i21 n TYR 106 Cb 0.15 -0.13 0.08 0.00 -0.02 0.00 0.00 39.34 39.41 1i21 n TYR 106 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1i21 s GLN 107 N -1.96 2.30 -1.37 -0.72 -0.21 -1.00 -3.79 119.66 112.90 1i21 s GLN 107 Ca 0.24 0.68 0.00 0.00 0.02 0.00 0.00 55.36 56.29 1i21 s GLN 107 Cb 0.18 -1.94 0.00 0.00 1.00 0.00 0.00 33.01 32.25 1i21 s GLN 107 CO 0.06 -1.48 0.00 0.41 -2.12 0.00 0.00 175.29 172.16 1i21 n GLY 108 N -2.16 1.26 2.38 3.09 0.00 -1.26 -4.94 105.19 103.56 1i21 n GLY 108 Ca 0.07 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 1i21 n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i21 n GLN 109 N -1.35 0.96 0.00 1.61 10.64 -1.25 -5.05 117.38 122.95 1i21 n GLN 109 Ca -0.13 -3.58 0.00 0.00 -1.83 0.00 0.00 57.00 51.46 1i21 n GLN 109 Cb 0.58 -1.65 0.00 0.00 -0.86 0.00 0.00 30.24 28.31 1i21 n GLN 109 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1i21 n GLY 110 N 1.85 1.04 0.00 2.61 0.00 -1.26 -4.93 105.19 104.50 1i21 n GLY 110 Ca 0.25 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1i21 n GLY 110 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i21 n LEU 111 N 0.00 0.00 -0.04 0.99 4.77 -1.26 -3.51 117.00 117.95 1i21 n LEU 111 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1i21 n LEU 111 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1i21 n LEU 111 CO 0.00 0.00 0.69 1.23 -1.33 0.00 0.00 177.39 177.98 1i21 h GLY 112 N 0.00 0.27 1.25 -0.72 0.00 -1.94 -1.38 103.07 100.55 1i21 h GLY 112 Ca 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.10 1i21 h GLY 112 CO 0.00 0.21 0.51 1.70 0.00 0.00 0.00 176.54 178.96 1i21 h LYS 113 N -0.07 1.00 -0.01 4.80 3.11 -1.97 0.28 116.57 123.71 1i21 h LYS 113 Ca 0.03 -0.06 -0.15 0.00 -2.81 0.00 0.00 60.65 57.66 1i21 h LYS 113 Cb 0.48 -0.23 -0.02 0.00 -1.00 0.00 0.00 32.23 31.46 1i21 h LYS 113 CO 0.01 0.66 -0.69 -0.07 -2.81 0.00 0.00 179.45 176.56 1i21 h LEU 114 N 1.03 0.07 -0.15 5.20 3.38 -1.71 -2.11 115.31 121.03 1i21 h LEU 114 Ca 0.28 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 1i21 h LEU 114 Cb -0.12 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1i21 h LEU 114 CO -0.06 0.74 -0.06 0.25 0.09 0.00 0.00 178.44 179.40 1i21 h LEU 115 N 0.04 0.31 -0.62 1.67 5.85 -0.20 -2.78 115.31 119.57 1i21 h LEU 115 Ca -0.01 -0.40 0.04 0.00 0.84 0.00 0.00 57.88 58.35 1i21 h LEU 115 Cb 1.22 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.12 1i21 h LEU 115 CO 0.09 0.64 0.36 0.40 -0.34 0.00 0.00 178.44 179.59 1i21 h ILE 116 N -0.03 1.02 0.00 4.05 1.08 -0.79 -1.76 117.51 121.07 1i21 h ILE 116 Ca 0.03 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 1i21 h ILE 116 Cb 0.52 0.27 0.00 0.00 -3.07 0.00 0.00 36.82 34.53 1i21 h ILE 116 CO 0.02 0.13 -0.10 -0.90 -0.69 0.00 0.00 178.15 176.61 1i21 n ASP 117 N -4.77 0.24 -0.04 1.72 5.68 -0.81 -1.83 116.55 116.74 1i21 n ASP 117 Ca 0.07 0.39 -0.14 0.00 -0.50 0.00 0.00 54.79 54.61 1i21 n ASP 117 Cb 0.12 -0.42 -0.11 0.00 -1.14 0.00 0.00 41.12 39.57 1i21 n ASP 117 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 1i21 h GLN 118 N 0.00 0.03 -0.27 0.11 5.75 -1.06 -2.19 115.11 117.49 1i21 h GLN 118 Ca 0.00 -0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.52 1i21 h GLN 118 Cb 0.55 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.06 1i21 h GLN 118 CO 0.00 0.73 -0.03 -0.07 -2.65 0.00 0.00 178.83 176.81 1i21 h LEU 119 N -0.66 -0.16 -0.47 -2.39 3.38 -1.31 -1.14 115.31 112.56 1i21 h LEU 119 Ca -0.00 0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.13 1i21 h LEU 119 Cb 0.74 0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.54 1i21 h LEU 119 CO 0.01 -0.05 -0.06 0.58 0.09 0.00 0.00 178.44 179.01 1i21 h VAL 120 N 0.05 0.58 -0.28 1.22 2.07 -1.41 -0.95 116.25 117.53 1i21 h VAL 120 Ca 0.13 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.69 1i21 h VAL 120 Cb 0.18 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 1i21 h VAL 120 CO -0.24 0.01 -0.07 0.74 0.02 0.00 0.00 177.57 178.03 1i21 h THR 121 N 0.05 0.72 -0.42 2.57 2.02 -0.57 -0.83 112.91 116.45 1i21 h THR 121 Ca 0.23 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.47 1i21 h THR 121 Cb 0.35 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.43 1i21 h THR 121 CO -0.44 0.00 0.11 0.40 0.37 0.00 0.00 175.52 175.96 1i21 h ILE 122 N -0.00 0.81 -0.24 3.11 2.04 -0.53 -0.31 117.51 122.39 1i21 h ILE 122 Ca 0.13 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 1i21 h ILE 122 Cb 0.20 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1i21 h ILE 122 CO -0.28 0.05 0.08 1.23 0.00 0.00 0.00 178.15 179.22 1i21 h GLY 123 N 0.25 0.40 1.94 5.37 0.00 -0.49 -2.45 103.07 108.08 1i21 h GLY 123 Ca 0.20 -0.23 -0.11 0.00 0.00 0.00 0.00 47.33 47.18 1i21 h GLY 123 CO -0.24 0.22 -0.51 0.74 0.00 0.00 0.00 176.54 176.75 1i21 h PHE 124 N 0.22 0.08 -0.51 5.60 0.04 -1.01 -2.01 116.94 119.35 1i21 h PHE 124 Ca 0.08 -0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.78 1i21 h PHE 124 Cb 0.23 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 1i21 h PHE 124 CO 0.00 0.57 0.14 -0.44 -0.60 0.00 0.00 178.31 177.97 1i21 h ASP 125 N 0.06 0.71 0.23 2.17 5.19 -0.98 -2.10 116.42 121.69 1i21 h ASP 125 Ca -0.00 -0.12 -0.11 0.00 -0.62 0.00 0.00 57.03 56.19 1i21 h ASP 125 Cb 0.92 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 40.23 1i21 h ASP 125 CO 0.07 0.70 -0.41 1.88 -3.12 0.00 0.00 179.24 178.35 1i21 h TYR 126 N 0.75 0.28 0.00 4.55 0.05 -0.88 -3.47 116.97 118.25 1i21 h TYR 126 Ca 0.17 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.87 1i21 h TYR 126 Cb 0.26 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 37.93 1i21 h TYR 126 CO 0.01 0.62 0.00 0.41 -1.05 0.00 0.00 178.16 178.15 1i21 n GLY 127 N -0.18 0.55 3.70 3.88 0.00 -0.79 -5.08 105.19 107.27 1i21 n GLY 127 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1i21 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i21 h TYR 129 N 4.82 0.00 -3.66 0.00 -0.00 -1.53 -3.42 116.97 113.18 1i21 h TYR 129 Ca -0.46 0.00 -0.12 0.00 0.00 0.00 0.00 58.73 58.15 1i21 h TYR 129 Cb 1.25 0.00 -0.18 0.00 0.00 0.00 0.00 36.73 37.80 1i21 h TYR 129 CO 0.58 0.00 -0.46 0.21 -0.00 0.00 0.00 178.16 178.49 1i21 s LYS 130 N -3.34 0.62 -0.03 0.10 2.20 -1.25 -5.09 119.74 112.95 1i21 s LYS 130 Ca 0.00 -0.66 -0.00 0.00 -0.36 0.00 0.00 55.97 54.95 1i21 s LYS 130 Cb 0.10 0.25 0.03 0.00 -1.51 0.00 0.00 37.83 36.70 1i21 s LYS 130 CO 0.78 -0.17 0.03 0.42 -0.36 0.00 0.00 175.35 176.05 1i21 s ILE 131 N -2.44 -0.00 0.31 5.43 1.01 -1.26 -0.93 121.20 123.32 1i21 s ILE 131 Ca -0.06 0.22 0.05 0.00 0.00 0.00 0.00 60.65 60.86 1i21 s ILE 131 Cb -0.02 -0.15 -0.06 0.00 0.01 0.00 0.00 42.46 42.24 1i21 s ILE 131 CO -0.03 0.12 0.02 0.27 0.00 0.00 0.00 174.94 175.31 1i21 s ILE 132 N 1.28 1.36 -0.01 2.92 -4.36 0.30 -4.94 121.20 117.75 1i21 s ILE 132 Ca -0.06 -2.04 -0.28 0.00 -0.26 0.00 0.00 60.65 58.00 1i21 s ILE 132 Cb -0.13 -2.67 0.09 0.00 1.25 0.00 0.00 42.46 41.00 1i21 s ILE 132 CO -0.03 -0.12 0.77 -1.48 0.24 0.00 0.00 174.94 174.32 1i21 s LEU 133 N -3.47 -0.52 0.19 0.37 0.05 -1.26 -0.64 118.68 113.39 1i21 s LEU 133 Ca 0.34 0.33 0.07 0.00 0.05 0.00 0.00 54.13 54.91 1i21 s LEU 133 Cb 0.07 2.30 -0.04 0.00 -2.05 0.00 0.00 46.19 46.47 1i21 s LEU 133 CO 0.14 -0.64 0.07 -1.81 -0.55 0.00 0.00 176.35 173.56 1i21 s ASP 134 N -1.81 5.09 0.26 1.48 1.01 -1.26 -5.04 116.67 116.40 1i21 s ASP 134 Ca -0.03 -0.31 -0.18 0.00 0.71 0.00 0.00 52.55 52.74 1i21 s ASP 134 Cb -0.01 -1.19 0.01 0.00 1.01 0.00 0.00 42.92 42.75 1i21 s ASP 134 CO -0.01 0.06 0.63 0.00 0.21 0.00 0.00 175.17 176.06 1i21 s ASP 136 N -2.94 6.64 0.21 0.00 -1.08 -1.26 -4.98 116.67 113.26 1i21 s ASP 136 Ca 0.14 1.35 -0.17 0.00 -0.52 0.00 0.00 52.55 53.35 1i21 s ASP 136 Cb -0.04 -2.41 0.21 0.00 -1.46 0.00 0.00 42.92 39.22 1i21 s ASP 136 CO 0.06 -0.42 1.59 -0.08 0.52 0.00 0.00 175.17 176.84 1i21 h GLU 137 N 1.40 -0.08 0.00 4.34 4.57 -2.02 -1.00 114.58 121.78 1i21 h GLU 137 Ca -0.47 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1i21 h GLU 137 Cb 1.18 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1i21 h GLU 137 CO 0.63 -0.05 0.02 0.36 -1.18 0.00 0.00 179.01 178.79 1i21 n LYS 138 N -5.46 0.00 -0.03 1.92 2.85 -1.26 -1.72 118.16 114.46 1i21 n LYS 138 Ca 0.07 0.39 0.05 0.00 -1.05 0.00 0.00 58.31 57.78 1i21 n LYS 138 Cb 0.37 -1.52 0.06 0.00 -0.65 0.00 0.00 35.03 33.29 1i21 n LYS 138 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1i21 n ASN 139 N -1.39 2.00 -0.11 -5.58 4.13 -0.38 -4.64 115.26 109.29 1i21 n ASN 139 Ca 0.00 -1.52 -0.06 0.00 1.68 0.00 0.00 54.58 54.68 1i21 n ASN 139 Cb 0.02 -0.04 0.02 0.00 -1.54 0.00 0.00 39.78 38.24 1i21 n ASN 139 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 1i21 h VAL 140 N 1.90 0.90 -0.41 2.41 2.07 -1.34 -0.81 116.25 120.97 1i21 h VAL 140 Ca 0.00 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.48 1i21 h VAL 140 Cb 0.46 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 1i21 h VAL 140 CO 0.00 0.05 0.10 0.11 0.02 0.00 0.00 177.57 177.85 1i21 h LYS 141 N 0.28 0.23 -0.84 1.57 1.57 -1.82 0.46 116.57 118.02 1i21 h LYS 141 Ca 0.17 -0.01 0.17 0.00 -1.87 0.00 0.00 60.65 59.10 1i21 h LYS 141 Cb 0.14 -0.05 -0.11 0.00 0.08 0.00 0.00 32.23 32.29 1i21 h LYS 141 CO -0.17 0.15 0.37 0.35 -0.57 0.00 0.00 179.45 179.58 1i21 h PHE 142 N 0.24 0.63 0.01 -1.35 3.57 -1.52 -0.34 116.94 118.18 1i21 h PHE 142 Ca 0.20 0.04 -0.22 0.00 3.53 0.00 0.00 57.97 61.51 1i21 h PHE 142 Cb 0.22 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 1i21 h PHE 142 CO -0.19 0.05 -1.10 1.88 -2.23 0.00 0.00 178.31 176.73 1i21 h TYR 143 N 0.48 0.03 0.00 0.41 -1.99 0.14 -3.05 116.97 112.99 1i21 h TYR 143 Ca 0.48 -0.02 -0.02 0.00 2.00 0.00 0.00 58.73 61.17 1i21 h TYR 143 Cb 0.80 -0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.52 1i21 h TYR 143 CO -0.14 1.02 -0.09 0.93 -0.00 0.00 0.00 178.16 179.88 1i21 h GLU 144 N 0.00 0.00 0.00 4.88 5.08 0.85 -0.53 114.58 124.87 1i21 h GLU 144 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1i21 h GLU 144 Cb 1.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.06 1i21 h GLU 144 CO 0.13 0.09 0.00 1.63 -1.00 0.00 0.00 179.01 179.86 1i21 n LYS 145 N -4.36 0.15 -0.24 2.33 5.02 -0.23 -2.93 118.16 117.91 1i21 n LYS 145 Ca -0.03 0.15 0.12 0.00 -2.02 0.00 0.00 58.31 56.53 1i21 n LYS 145 Cb 0.17 -1.68 0.26 0.00 -0.02 0.00 0.00 35.03 33.75 1i21 n LYS 145 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i21 n GLY 147 N 1.52 0.66 3.75 0.00 0.00 -1.14 -4.92 105.19 105.06 1i21 n GLY 147 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 1i21 n GLY 147 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i21 s PHE 148 N -2.00 3.74 0.09 1.61 0.40 -0.67 -5.01 117.98 116.14 1i21 s PHE 148 Ca 0.00 1.42 0.04 0.00 -0.60 0.00 0.00 56.93 57.79 1i21 s PHE 148 Cb 0.00 -2.76 -0.04 0.00 0.51 0.00 0.00 43.02 40.73 1i21 s PHE 148 CO 0.00 0.32 0.06 -1.12 0.70 0.00 0.00 175.22 175.17 1i21 s SER 149 N -0.19 5.38 0.66 1.36 0.01 -1.26 -3.74 113.70 115.91 1i21 s SER 149 Ca 0.36 -0.06 -0.17 0.00 1.31 0.00 0.00 55.95 57.39 1i21 s SER 149 Cb -0.20 -1.40 -0.00 0.00 0.21 0.00 0.00 66.02 64.63 1i21 s SER 149 CO 0.22 0.17 1.27 0.21 0.41 0.00 0.00 173.24 175.51 1i21 s ASN 150 N -2.40 4.57 0.00 2.44 3.84 -1.26 -4.95 114.94 117.18 1i21 s ASN 150 Ca 0.28 2.54 0.00 0.00 0.21 0.00 0.00 52.86 55.89 1i21 s ASN 150 Cb -0.12 -2.61 0.00 0.00 -0.55 0.00 0.00 41.25 37.97 1i21 s ASN 150 CO 0.21 -2.03 0.00 0.00 -2.79 0.00 0.00 177.10 172.49 1i21 n ALA 151 N -2.06 0.00 0.00 1.71 0.00 -1.26 -5.16 120.51 113.74 1i21 n ALA 151 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1i21 n ALA 151 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1i21 n ALA 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i21 n GLY 152 N 0.00 -1.40 3.75 0.00 0.00 -1.26 -5.14 105.19 101.14 1i21 n GLY 152 Ca 0.00 -1.21 -0.32 0.00 0.00 0.00 0.00 46.02 44.49 1i21 n GLY 152 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i21 s VAL 153 N -2.99 4.45 0.35 1.61 1.01 -1.26 -5.12 120.40 118.45 1i21 s VAL 153 Ca 0.00 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.39 1i21 s VAL 153 Cb 0.00 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 1i21 s VAL 153 CO 0.00 0.24 0.42 -0.70 0.00 0.00 0.00 175.10 175.06 1i21 s GLU 154 N -2.02 2.92 0.00 2.72 2.12 -1.26 -5.20 118.70 117.98 1i21 s GLU 154 Ca 0.25 -1.16 0.00 0.00 0.36 0.00 0.00 54.97 54.42 1i21 s GLU 154 Cb -0.12 -2.67 0.00 0.00 0.26 0.00 0.00 34.13 31.60 1i21 s GLU 154 CO 0.17 0.02 0.00 0.00 -0.54 0.00 0.00 175.26 174.91 1i21 n GLN 156 N -1.57 0.00 -3.63 4.30 10.64 -1.26 -5.14 117.38 120.72 1i21 n GLN 156 Ca 0.00 0.00 -0.15 0.00 -1.83 0.00 0.00 57.00 55.02 1i21 n GLN 156 Cb 0.59 0.00 -0.07 0.00 -0.86 0.00 0.00 30.24 29.89 1i21 n GLN 156 CO 0.00 0.00 0.00 -1.50 -1.83 0.00 0.00 177.06 173.73 1i21 s ILE 157 N -2.00 0.01 0.00 -0.39 1.10 -1.26 -5.41 121.20 113.25 1i21 s ILE 157 Ca 0.00 -0.07 0.00 0.00 -0.51 0.00 0.00 60.65 60.07 1i21 s ILE 157 Cb 0.00 -0.86 0.00 0.00 0.15 0.00 0.00 42.46 41.75 1i21 s ILE 157 CO 0.00 -0.04 0.24 0.54 -2.11 0.00 0.00 174.94 173.57