#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i21 s LEU 3 N 0.00 2.23 0.70 -3.43 1.43 -0.34 -4.88 118.68 114.39 1i21 s LEU 3 Ca 0.00 -1.36 -0.15 0.00 -1.03 0.00 0.00 54.13 51.59 1i21 s LEU 3 Cb 0.00 -0.42 0.02 0.00 0.03 0.00 0.00 46.19 45.82 1i21 s LEU 3 CO 0.00 -0.58 1.17 -2.16 0.23 0.00 0.00 176.35 175.01 1i21 s PRO 4 N -3.87 2.42 -0.89 1.29 0.04 -1.26 -3.70 135.00 129.03 1i21 s PRO 4 Ca 0.36 1.63 -0.03 0.00 0.04 0.00 0.00 61.00 63.00 1i21 s PRO 4 Cb 0.08 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.75 1i21 s PRO 4 CO 0.15 -1.59 0.40 -0.25 0.04 0.00 0.00 177.00 175.75 1i21 n ASP 5 N -2.54 -4.25 0.00 6.66 9.92 -1.26 -3.67 116.55 121.41 1i21 n ASP 5 Ca 0.12 -0.19 0.00 0.00 -0.53 0.00 0.00 54.79 54.20 1i21 n ASP 5 Cb 0.51 -3.09 0.00 0.00 -0.64 0.00 0.00 41.12 37.90 1i21 n ASP 5 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1i21 n GLY 6 N -1.22 0.43 3.53 0.44 0.00 -1.26 -4.96 105.19 102.15 1i21 n GLY 6 Ca -0.06 -0.90 -0.25 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.00 2.32 0.13 1.61 0.40 -1.24 0.19 117.98 119.40 1i21 s PHE 7 Ca 0.00 -0.57 -0.21 0.00 -0.60 0.00 0.00 56.93 55.56 1i21 s PHE 7 Cb 0.00 -1.38 0.06 0.00 0.51 0.00 0.00 43.02 42.21 1i21 s PHE 7 CO 0.00 0.50 0.52 1.52 0.70 0.00 0.00 175.22 178.46 1i21 s TYR 8 N -2.71 -0.41 0.01 0.36 -0.85 -0.50 -1.20 117.35 112.05 1i21 s TYR 8 Ca 0.32 0.20 0.07 0.00 -0.52 0.00 0.00 57.07 57.14 1i21 s TYR 8 Cb 0.04 0.43 -0.02 0.00 0.38 0.00 0.00 41.96 42.78 1i21 s TYR 8 CO 0.16 -0.77 -0.21 -1.50 -1.52 0.00 0.00 175.55 171.71 1i21 s ILE 9 N -3.60 1.67 0.26 -3.49 2.07 -1.26 0.65 121.20 117.50 1i21 s ILE 9 Ca 0.01 -1.05 -0.19 0.00 -1.41 0.00 0.00 60.65 58.01 1i21 s ILE 9 Cb 0.00 -1.42 0.02 0.00 0.13 0.00 0.00 42.46 41.19 1i21 s ILE 9 CO -0.11 0.34 0.64 0.00 -1.91 0.00 0.00 174.94 173.90 1i21 s ARG 10 N -0.84 1.68 0.00 3.50 1.70 -0.81 -4.75 118.95 119.43 1i21 s ARG 10 Ca 0.08 -1.02 0.00 0.00 -0.47 0.00 0.00 55.73 54.32 1i21 s ARG 10 Cb -0.08 0.57 0.00 0.00 -0.57 0.00 0.00 34.95 34.87 1i21 s ARG 10 CO 0.01 -0.75 0.00 0.54 -1.08 0.00 0.00 175.30 174.01 1i21 n ARG 11 N -0.43 0.00 -3.61 3.89 1.74 -1.26 -0.91 116.66 116.08 1i21 n ARG 11 Ca -0.04 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.97 1i21 n ARG 11 Cb 0.60 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 32.02 1i21 n ARG 11 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1i21 s GLU 13 N 0.00 1.00 0.36 5.56 2.02 -1.26 -4.72 118.70 121.66 1i21 s GLU 13 Ca 0.00 -0.47 0.09 0.00 0.02 0.00 0.00 54.97 54.61 1i21 s GLU 13 Cb 0.00 0.40 0.82 0.00 0.10 0.00 0.00 34.13 35.45 1i21 s GLU 13 CO 0.00 -0.45 1.88 0.93 0.02 0.00 0.00 175.26 177.64 1i21 h GLU 14 N 2.00 0.66 0.00 1.61 5.08 -1.95 -1.14 114.58 120.85 1i21 h GLU 14 Ca -0.23 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1i21 h GLU 14 Cb 1.24 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1i21 h GLU 14 CO 0.29 0.44 0.00 0.41 -1.00 0.00 0.00 179.01 179.15 1i21 n GLY 15 N -1.44 -1.34 0.00 -3.84 0.00 -1.26 -3.28 105.19 94.03 1i21 n GLY 15 Ca 0.17 0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.13 0.00 0.00 1.61 8.00 -0.43 -4.44 116.55 119.16 1i21 n ASP 16 Ca 0.03 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.79 1i21 n ASP 16 Cb 0.27 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 1i21 n ASP 16 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1i21 n LEU 17 N -1.40 0.00 -0.26 0.64 7.94 -1.21 -0.37 117.00 122.34 1i21 n LEU 17 Ca 0.07 0.63 0.05 0.00 -1.11 0.00 0.00 56.01 55.66 1i21 n LEU 17 Cb 0.20 -0.30 0.19 0.00 0.53 0.00 0.00 43.42 44.04 1i21 n LEU 17 CO 0.17 -0.30 1.04 -0.33 -1.11 0.00 0.00 177.39 176.86 1i21 h GLU 18 N 0.00 0.48 -0.29 1.96 3.07 -1.91 0.42 114.58 118.31 1i21 h GLU 18 Ca 0.00 -0.03 -0.18 0.00 -0.50 0.00 0.00 59.36 58.65 1i21 h GLU 18 Cb 0.00 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 27.80 1i21 h GLU 18 CO 0.00 0.32 -0.52 1.96 -1.40 0.00 0.00 179.01 179.36 1i21 h GLN 19 N 0.49 0.86 -0.38 2.33 4.20 -1.63 -1.52 115.11 119.47 1i21 h GLN 19 Ca 0.42 -0.54 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 1i21 h GLN 19 Cb 0.62 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 1i21 h GLN 19 CO -0.38 1.18 0.15 0.28 -0.67 0.00 0.00 178.83 179.38 1i21 h VAL 20 N 0.64 1.19 -0.68 -0.54 2.07 0.04 -0.61 116.25 118.36 1i21 h VAL 20 Ca 0.02 -0.59 -0.08 0.00 0.82 0.00 0.00 66.70 66.87 1i21 h VAL 20 Cb 1.13 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 1i21 h VAL 20 CO 0.12 0.21 0.13 0.71 0.02 0.00 0.00 177.57 178.76 1i21 h THR 21 N 0.46 1.26 -0.38 2.57 1.35 -0.90 0.33 112.91 117.61 1i21 h THR 21 Ca 0.13 -1.02 -0.02 0.00 -0.55 0.00 0.00 66.41 64.95 1i21 h THR 21 Cb 0.19 0.60 -0.02 0.00 -1.73 0.00 0.00 68.15 67.19 1i21 h THR 21 CO -0.01 0.39 0.16 -0.08 -0.25 0.00 0.00 175.52 175.73 1i21 h GLU 22 N 1.05 0.52 0.00 4.72 4.81 -1.01 -1.61 114.58 123.07 1i21 h GLU 22 Ca 0.21 -0.06 -0.23 0.00 -0.13 0.00 0.00 59.36 59.15 1i21 h GLU 22 Cb 0.42 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 1i21 h GLU 22 CO 0.01 0.42 -1.16 0.00 -0.73 0.00 0.00 179.01 177.56 1i21 h THR 23 N 0.53 1.47 0.00 0.32 1.03 -0.25 -3.25 112.91 112.76 1i21 h THR 23 Ca 0.13 -3.20 0.00 0.00 -0.01 0.00 0.00 66.41 63.33 1i21 h THR 23 Cb 0.08 2.72 0.00 0.00 -1.07 0.00 0.00 68.15 69.89 1i21 h THR 23 CO -0.02 0.84 0.00 -0.07 -0.01 0.00 0.00 175.52 176.26 1i21 h LEU 24 N 0.00 0.00 -2.54 0.00 3.38 -0.55 -2.98 115.31 112.62 1i21 h LEU 24 Ca -0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1i21 h LEU 24 Cb 1.81 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.56 1i21 h LEU 24 CO 0.11 0.00 -0.01 0.07 0.09 0.00 0.00 178.44 178.71 1i21 h LYS 25 N 0.00 0.00 0.00 1.13 2.10 -1.34 0.11 116.57 118.57 1i21 h LYS 25 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 1i21 h LYS 25 Cb 0.60 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.92 1i21 h LYS 25 CO 0.00 0.01 -0.14 -0.24 -2.00 0.00 0.00 179.45 177.08 1i21 h VAL 26 N 0.00 0.55 0.02 0.07 3.04 -1.73 -3.08 116.25 115.13 1i21 h VAL 26 Ca -0.00 -0.65 -0.31 0.00 -1.01 0.00 0.00 66.70 64.73 1i21 h VAL 26 Cb 0.14 1.43 -0.04 0.00 -2.01 0.00 0.00 31.29 30.81 1i21 h VAL 26 CO 0.00 0.14 -1.69 -0.11 -1.01 0.00 0.00 177.57 174.90 1i21 n LEU 27 N -3.58 2.07 -3.85 3.16 7.94 0.30 -5.06 117.00 117.98 1i21 n LEU 27 Ca -0.01 0.34 -0.05 0.00 -1.11 0.00 0.00 56.01 55.17 1i21 n LEU 27 Cb 0.28 -0.96 0.02 0.00 0.53 0.00 0.00 43.42 43.28 1i21 n LEU 27 CO 0.31 0.47 0.69 -0.89 -1.11 0.00 0.00 177.39 176.85 1i21 s THR 28 N -2.43 0.00 -0.14 1.96 2.01 -0.68 -5.10 115.64 111.25 1i21 s THR 28 Ca -0.30 -0.76 -0.29 0.00 0.31 0.00 0.00 61.69 60.65 1i21 s THR 28 Cb 0.08 -2.85 -0.02 0.00 0.01 0.00 0.00 72.50 69.72 1i21 s THR 28 CO 0.60 0.00 1.33 0.42 -0.69 0.00 0.00 174.62 176.28 1i21 s THR 29 N -2.28 4.15 -0.14 -0.82 -4.23 -1.26 -4.00 115.64 107.05 1i21 s THR 29 Ca 0.19 1.40 -0.19 0.00 -1.18 0.00 0.00 61.69 61.91 1i21 s THR 29 Cb -0.04 -3.90 -0.24 0.00 1.34 0.00 0.00 72.50 69.66 1i21 s THR 29 CO 0.08 -0.12 0.46 0.58 -0.54 0.00 0.00 174.62 175.08 1i21 h VAL 30 N 5.48 1.07 -0.52 2.29 2.07 -1.92 -3.51 116.25 121.21 1i21 h VAL 30 Ca -0.29 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 64.92 1i21 h VAL 30 Cb 1.12 2.63 -0.00 0.00 -1.52 0.00 0.00 31.29 33.52 1i21 h VAL 30 CO 0.96 0.58 -0.01 0.61 0.02 0.00 0.00 177.57 179.73 1i21 n GLY 31 N 1.64 -1.83 3.69 2.17 0.00 -1.26 -4.80 105.19 104.80 1i21 n GLY 31 Ca -0.26 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.06 3.86 -0.13 2.61 2.01 -1.26 -5.01 115.64 117.66 1i21 s THR 32 Ca 0.00 1.25 0.00 0.00 0.31 0.00 0.00 61.69 63.25 1i21 s THR 32 Cb 0.00 -3.80 0.02 0.00 0.01 0.00 0.00 72.50 68.73 1i21 s THR 32 CO 0.00 0.01 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.21 1i21 s ILE 33 N 2.13 1.28 -0.05 1.82 1.01 -1.26 -5.10 121.20 121.03 1i21 s ILE 33 Ca 0.61 -0.46 -0.30 0.00 0.00 0.00 0.00 60.65 60.51 1i21 s ILE 33 Cb -0.30 -1.24 -0.02 0.00 0.01 0.00 0.00 42.46 40.91 1i21 s ILE 33 CO 0.26 0.41 1.04 -0.89 0.00 0.00 0.00 174.94 175.75 1i21 s THR 34 N 1.54 4.69 0.27 2.92 2.01 -1.26 -4.94 115.64 120.88 1i21 s THR 34 Ca 0.04 1.95 -0.00 0.00 0.31 0.00 0.00 61.69 63.98 1i21 s THR 34 Cb -0.13 -4.25 0.27 0.00 0.01 0.00 0.00 72.50 68.40 1i21 s THR 34 CO -0.09 0.07 1.69 -0.65 -0.69 0.00 0.00 174.62 174.95 1i21 h PRO 35 N 7.01 0.33 -0.51 4.92 0.11 -1.99 -0.85 132.00 141.03 1i21 h PRO 35 Ca -0.36 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.76 1i21 h PRO 35 Cb 1.18 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 1i21 h PRO 35 CO 0.82 0.22 0.29 1.49 -0.21 0.00 0.00 178.00 180.61 1i21 h GLU 36 N 0.34 0.56 -0.34 1.05 4.81 -1.99 -1.04 114.58 117.98 1i21 h GLU 36 Ca 0.49 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.67 1i21 h GLU 36 Cb 0.89 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 1i21 h GLU 36 CO -0.53 0.37 0.14 0.77 -0.73 0.00 0.00 179.01 179.04 1i21 h SER 37 N 0.58 0.47 -0.92 1.04 0.02 -1.60 -0.79 113.55 112.35 1i21 h SER 37 Ca 0.21 -0.16 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1i21 h SER 37 Cb 0.04 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.41 1i21 h SER 37 CO -0.10 0.50 0.61 0.15 -1.14 0.00 0.00 176.83 176.85 1i21 h PHE 38 N 0.40 1.15 -0.62 3.45 3.57 -0.95 0.30 116.94 124.25 1i21 h PHE 38 Ca 0.11 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 1i21 h PHE 38 Cb 0.18 -0.39 -0.03 0.00 2.79 0.00 0.00 35.95 38.50 1i21 h PHE 38 CO -0.00 0.71 0.20 0.00 -2.23 0.00 0.00 178.31 176.98 1i21 h LYS 40 N 0.88 0.64 -0.49 0.00 1.57 -0.56 -1.84 116.57 116.76 1i21 h LYS 40 Ca 0.20 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1i21 h LYS 40 Cb 0.28 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1i21 h LYS 40 CO -0.01 0.79 0.12 1.25 -0.57 0.00 0.00 179.45 181.03 1i21 h LEU 41 N 0.57 0.75 -1.04 2.94 5.85 0.52 -1.83 115.31 123.08 1i21 h LEU 41 Ca 0.09 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.50 1i21 h LEU 41 Cb 0.64 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1i21 h LEU 41 CO 0.05 0.79 -0.08 0.40 -0.34 0.00 0.00 178.44 179.26 1i21 h ILE 42 N 0.68 1.23 -0.16 4.05 1.08 -0.03 -2.20 117.51 122.16 1i21 h ILE 42 Ca 0.15 -1.00 -0.01 0.00 -0.39 0.00 0.00 64.86 63.62 1i21 h ILE 42 Cb 0.34 1.04 -0.01 0.00 -3.07 0.00 0.00 36.82 35.12 1i21 h ILE 42 CO 0.00 0.34 0.05 0.11 -0.69 0.00 0.00 178.15 177.96 1i21 h LYS 43 N 0.56 0.24 -0.05 2.37 6.56 -0.93 -2.17 116.57 123.16 1i21 h LYS 43 Ca 0.11 -0.05 0.03 0.00 -1.06 0.00 0.00 60.65 59.68 1i21 h LYS 43 Cb 0.47 -0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 32.05 1i21 h LYS 43 CO 0.02 0.36 -0.17 -0.92 -2.06 0.00 0.00 179.45 176.69 1i21 h TYR 44 N 0.08 -0.43 0.00 -1.35 3.20 -1.15 0.72 116.97 118.05 1i21 h TYR 44 Ca 0.05 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1i21 h TYR 44 Cb 0.22 0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.69 1i21 h TYR 44 CO -0.00 -0.24 0.02 0.91 -1.64 0.00 0.00 178.16 177.20 1i21 n TRP 45 N -5.30 0.73 0.59 -3.82 8.01 -0.85 -0.75 117.44 116.05 1i21 n TRP 45 Ca -0.04 0.38 0.11 0.00 -1.31 0.00 0.00 57.50 56.65 1i21 n TRP 45 Cb 0.22 -1.10 0.16 0.00 -2.01 0.00 0.00 31.31 28.57 1i21 n TRP 45 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1i21 n ASN 46 N -2.26 3.18 -0.01 -0.99 3.02 0.19 -4.49 115.26 113.90 1i21 n ASN 46 Ca -0.01 -1.97 -0.01 0.00 -0.03 0.00 0.00 54.58 52.56 1i21 n ASN 46 Cb 0.05 -0.13 -0.01 0.00 -0.61 0.00 0.00 39.78 39.08 1i21 n ASN 46 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1i21 n GLU 47 N 1.37 1.87 -1.66 3.52 1.02 0.07 -5.00 120.64 121.83 1i21 n GLU 47 Ca 0.16 0.01 -0.43 0.00 -0.02 0.00 0.00 57.16 56.88 1i21 n GLU 47 Cb 0.58 -1.04 -0.03 0.00 -0.02 0.00 0.00 31.44 30.93 1i21 n GLU 47 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i21 s ALA 48 N -2.04 2.95 0.23 0.62 0.00 -0.54 -4.98 121.76 118.00 1i21 s ALA 48 Ca -0.02 0.88 0.07 0.00 0.00 0.00 0.00 51.96 52.89 1i21 s ALA 48 Cb 0.01 -4.01 -0.04 0.00 0.00 0.00 0.00 23.12 19.08 1i21 s ALA 48 CO 0.06 -2.47 0.12 0.99 0.00 0.00 0.00 175.76 174.45 1i21 s THR 49 N 7.22 4.16 -0.18 0.00 2.01 -1.26 -2.02 115.64 125.58 1i21 s THR 49 Ca 0.96 -1.44 -0.12 0.00 0.31 0.00 0.00 61.69 61.39 1i21 s THR 49 Cb -0.35 -3.20 -0.05 0.00 0.01 0.00 0.00 72.50 68.92 1i21 s THR 49 CO 0.36 -0.27 0.23 -0.69 -0.69 0.00 0.00 174.62 173.56 1i21 s VAL 50 N -2.04 5.35 -0.49 3.82 1.01 -0.00 -4.74 120.40 123.30 1i21 s VAL 50 Ca 0.31 0.40 -0.35 0.00 0.00 0.00 0.00 61.98 62.35 1i21 s VAL 50 Cb -0.08 -3.57 -0.14 0.00 0.00 0.00 0.00 36.38 32.59 1i21 s VAL 50 CO 0.23 0.41 2.29 1.87 0.00 0.00 0.00 175.10 179.90 1i21 n TRP 51 N 3.59 1.34 -2.26 5.22 -0.00 -1.26 -4.58 117.44 119.49 1i21 n TRP 51 Ca -0.13 0.35 -0.26 0.00 -0.00 0.00 0.00 57.50 57.45 1i21 n TRP 51 Cb 0.52 -2.48 0.13 0.00 -0.00 0.00 0.00 31.31 29.48 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 7.98 3.97 0.00 5.87 2.20 -1.26 -4.93 114.94 128.76 1i21 s ASN 52 Ca 1.14 0.04 0.00 0.00 -0.94 0.00 0.00 52.86 53.10 1i21 s ASN 52 Cb -0.94 -0.34 0.00 0.00 -2.00 0.00 0.00 41.25 37.97 1i21 s ASN 52 CO 0.49 -2.14 0.57 0.47 -2.94 0.00 0.00 177.10 173.54 1i21 n ASP 53 N -3.21 1.63 -2.08 3.54 8.00 -1.26 -5.09 116.55 118.08 1i21 n ASP 53 Ca 0.14 -1.09 -0.17 0.00 0.71 0.00 0.00 54.79 54.38 1i21 n ASP 53 Cb 0.60 -0.30 0.01 0.00 -0.02 0.00 0.00 41.12 41.41 1i21 n ASP 53 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1i21 n ASN 54 N 1.01 -4.93 -1.73 -2.24 3.02 -1.26 -5.14 115.26 103.99 1i21 n ASN 54 Ca 0.00 -0.11 -0.01 0.00 -0.03 0.00 0.00 54.58 54.43 1i21 n ASN 54 Cb 0.23 -3.93 -0.01 0.00 -0.61 0.00 0.00 39.78 35.46 1i21 n ASN 54 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1i21 n LYS 57 N -2.88 -0.88 -2.62 3.52 4.81 -1.26 -5.23 118.16 113.61 1i21 n LYS 57 Ca -0.14 1.07 -0.42 0.00 -0.87 0.00 0.00 58.31 57.94 1i21 n LYS 57 Cb 0.62 -1.87 -0.03 0.00 0.02 0.00 0.00 35.03 33.78 1i21 n LYS 57 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1i21 s LYS 58 N -0.73 4.39 0.00 1.64 2.20 -1.26 -4.80 119.74 121.18 1i21 s LYS 58 Ca -0.04 1.47 0.00 0.00 -0.36 0.00 0.00 55.97 57.04 1i21 s LYS 58 Cb 0.00 -3.56 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 1i21 s LYS 58 CO 0.17 -0.39 0.00 -0.89 -0.36 0.00 0.00 175.35 173.88 1i21 n ILE 59 N 4.65 0.00 0.03 5.43 5.41 -1.26 -5.07 119.36 128.55 1i21 n ILE 59 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.85 1i21 n ILE 59 Cb 0.48 -0.41 0.00 0.00 -0.71 0.00 0.00 39.64 39.00 1i21 n ILE 59 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 1i21 n GLN 61 N -0.14 0.00 -3.76 0.38 7.27 -0.86 -0.82 117.38 119.45 1i21 n GLN 61 Ca 0.00 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.70 1i21 n GLN 61 Cb 0.00 -0.46 -0.06 0.00 2.41 0.00 0.00 30.24 32.13 1i21 n GLN 61 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 1i21 s TYR 62 N -2.00 3.62 -0.43 3.69 1.51 -1.26 -0.86 117.35 121.62 1i21 s TYR 62 Ca 0.00 0.65 0.08 0.00 -1.01 0.00 0.00 57.07 56.79 1i21 s TYR 62 Cb 0.00 -2.06 0.26 0.00 -0.11 0.00 0.00 41.96 40.06 1i21 s TYR 62 CO 0.00 0.68 0.59 0.09 -1.11 0.00 0.00 175.55 175.80 1i21 n ASN 63 N 2.05 0.92 -4.84 2.29 4.13 -0.95 -4.92 115.26 113.95 1i21 n ASN 63 Ca -0.18 -2.87 -0.31 0.00 1.68 0.00 0.00 54.58 52.90 1i21 n ASN 63 Cb 0.54 -0.64 0.05 0.00 -1.54 0.00 0.00 39.78 38.19 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 -1.59 2.84 -0.29 3.52 0.04 -1.26 -2.83 135.00 135.43 1i21 s PRO 64 Ca 0.37 0.74 -0.23 0.00 0.04 0.00 0.00 61.00 61.92 1i21 s PRO 64 Cb 0.19 -2.00 0.14 0.00 0.04 0.00 0.00 34.50 32.87 1i21 s PRO 64 CO -0.09 -1.11 1.06 0.14 0.04 0.00 0.00 177.00 177.04 1i21 s VAL 66 N -3.16 0.00 -0.26 -0.36 -7.23 -0.08 -4.44 120.40 104.85 1i21 s VAL 66 Ca 0.58 0.00 -0.15 0.00 -1.81 0.00 0.00 61.98 60.60 1i21 s VAL 66 Cb -0.13 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.77 1i21 s VAL 66 CO 0.54 0.00 0.38 -0.63 -0.31 0.00 0.00 175.10 175.08 1i21 s ILE 67 N 0.50 5.17 -0.07 -0.62 1.01 -0.27 -1.92 121.20 125.00 1i21 s ILE 67 Ca 0.00 0.59 -0.01 0.00 0.00 0.00 0.00 60.65 61.24 1i21 s ILE 67 Cb -0.05 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 1i21 s ILE 67 CO -0.09 0.16 -0.01 -0.69 0.00 0.00 0.00 174.94 174.31 1i21 s VAL 68 N 2.02 4.22 -0.55 2.92 1.01 0.21 -0.14 120.40 130.09 1i21 s VAL 68 Ca 0.15 -0.33 -0.27 0.00 0.00 0.00 0.00 61.98 61.54 1i21 s VAL 68 Cb -0.16 -2.78 0.03 0.00 0.00 0.00 0.00 36.38 33.47 1i21 s VAL 68 CO 0.10 0.57 1.12 -0.62 0.00 0.00 0.00 175.10 176.27 1i21 s ASP 69 N -0.97 6.45 0.46 3.32 -1.08 0.30 -1.41 116.67 123.74 1i21 s ASP 69 Ca 0.14 0.06 0.30 0.00 -0.52 0.00 0.00 52.55 52.53 1i21 s ASP 69 Cb -0.11 -2.52 1.62 0.00 -1.46 0.00 0.00 42.92 40.45 1i21 s ASP 69 CO 0.03 -1.37 1.91 0.11 0.52 0.00 0.00 175.17 176.37 1i21 h LYS 70 N 9.43 0.00 0.00 4.34 1.57 -0.58 0.68 116.57 132.00 1i21 h LYS 70 Ca -0.25 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.43 1i21 h LYS 70 Cb 1.06 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 1i21 h LYS 70 CO 1.15 0.00 -0.51 0.00 -0.57 0.00 0.00 179.45 179.52 1i21 h ARG 71 N 0.00 0.00 0.00 3.15 3.08 -1.91 -3.36 114.38 115.35 1i21 h ARG 71 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1i21 h ARG 71 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1i21 h ARG 71 CO 0.00 0.51 0.00 0.25 -1.07 0.00 0.00 179.97 179.66 1i21 n THR 72 N -3.41 0.02 -3.53 2.04 -2.24 -0.64 -4.99 114.28 101.53 1i21 n THR 72 Ca 0.01 -0.07 -0.22 0.00 -2.27 0.00 0.00 64.05 61.50 1i21 n THR 72 Cb 0.65 1.75 0.08 0.00 -2.10 0.00 0.00 70.33 70.71 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 -0.01 -7.47 -4.89 -0.78 -0.58 0.23 -5.00 120.64 102.14 1i21 n GLU 73 Ca 0.00 0.79 -0.33 0.00 -0.42 0.00 0.00 57.16 57.21 1i21 n GLU 73 Cb 0.26 -5.73 -0.14 0.00 -0.57 0.00 0.00 31.44 25.26 1i21 n GLU 73 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1i21 s THR 74 N -3.31 2.93 0.10 2.62 2.01 -1.16 -4.89 115.64 113.94 1i21 s THR 74 Ca 0.49 -0.74 -0.31 0.00 0.31 0.00 0.00 61.69 61.44 1i21 s THR 74 Cb -0.22 -2.17 -0.10 0.00 0.01 0.00 0.00 72.50 70.02 1i21 s THR 74 CO 0.70 0.56 1.89 0.52 -0.69 0.00 0.00 174.62 177.59 1i21 n VAL 75 N 2.91 0.50 -0.01 3.82 0.31 -1.26 -0.54 118.33 124.06 1i21 n VAL 75 Ca -0.18 -0.09 0.07 0.00 -0.01 0.00 0.00 64.34 64.13 1i21 n VAL 75 Cb 0.52 -2.20 -0.12 0.00 -0.91 0.00 0.00 33.84 31.14 1i21 n VAL 75 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1i21 n ALA 76 N 6.28 2.52 -3.47 3.52 0.00 0.81 -4.85 120.51 125.31 1i21 n ALA 76 Ca 0.19 -0.42 -0.11 0.00 0.00 0.00 0.00 53.44 53.10 1i21 n ALA 76 Cb 0.38 -0.51 -0.02 0.00 0.00 0.00 0.00 19.45 19.30 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 -3.05 -1.72 -0.00 0.00 0.00 -1.20 -0.18 121.76 115.61 1i21 s ALA 77 Ca -0.06 0.80 -0.12 0.00 0.00 0.00 0.00 51.96 52.58 1i21 s ALA 77 Cb 0.10 0.58 0.02 0.00 0.00 0.00 0.00 23.12 23.82 1i21 s ALA 77 CO 0.66 -0.70 0.25 -0.08 0.00 0.00 0.00 175.76 175.89 1i21 s THR 78 N -3.27 0.07 -0.12 0.00 -1.32 -0.11 -1.11 115.64 109.77 1i21 s THR 78 Ca 0.02 -0.58 -0.30 0.00 -1.21 0.00 0.00 61.69 59.63 1i21 s THR 78 Cb -0.01 -0.61 0.12 0.00 -1.51 0.00 0.00 72.50 70.49 1i21 s THR 78 CO -0.10 -0.32 0.94 -0.83 -2.21 0.00 0.00 174.62 172.11 1i21 s GLY 79 N -1.45 -0.34 0.09 6.08 0.00 -1.25 -1.07 107.32 109.38 1i21 s GLY 79 Ca -0.13 1.79 0.08 0.00 0.00 0.00 0.00 44.72 46.46 1i21 s GLY 79 CO 0.03 0.92 -0.20 0.21 0.00 0.00 0.00 173.10 174.06 1i21 s ASN 80 N -1.31 2.42 -0.11 1.64 3.84 0.04 -4.52 114.94 116.94 1i21 s ASN 80 Ca -0.02 -0.64 -0.01 0.00 0.21 0.00 0.00 52.86 52.39 1i21 s ASN 80 Cb -0.00 -0.14 0.03 0.00 -0.55 0.00 0.00 41.25 40.59 1i21 s ASN 80 CO 0.01 0.06 -0.01 -0.51 -2.79 0.00 0.00 177.10 173.87 1i21 s ILE 81 N -1.09 0.55 -0.17 -5.21 2.07 -1.13 -0.37 121.20 115.85 1i21 s ILE 81 Ca 0.06 -0.12 -0.10 0.00 -1.41 0.00 0.00 60.65 59.07 1i21 s ILE 81 Cb -0.10 -0.76 -0.05 0.00 0.13 0.00 0.00 42.46 41.68 1i21 s ILE 81 CO 0.03 0.18 0.17 -0.63 -1.91 0.00 0.00 174.94 172.78 1i21 s ILE 82 N 1.89 5.40 -0.25 2.00 1.01 0.12 -2.23 121.20 129.14 1i21 s ILE 82 Ca 0.04 0.29 -0.10 0.00 0.00 0.00 0.00 60.65 60.87 1i21 s ILE 82 Cb -0.13 -3.49 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 1i21 s ILE 82 CO -0.06 0.48 0.15 -0.63 0.00 0.00 0.00 174.94 174.87 1i21 s ILE 83 N 0.02 5.17 0.01 2.92 -1.09 -0.04 -0.13 121.20 128.06 1i21 s ILE 83 Ca 0.12 0.12 0.08 0.00 -2.23 0.00 0.00 60.65 58.73 1i21 s ILE 83 Cb -0.12 -3.42 -0.02 0.00 -1.58 0.00 0.00 42.46 37.32 1i21 s ILE 83 CO 0.01 0.33 -0.24 -1.83 -1.23 0.00 0.00 174.94 171.98 1i21 s GLU 84 N 1.26 1.81 -0.18 2.79 -1.05 -0.41 -4.73 118.70 118.19 1i21 s GLU 84 Ca 0.07 -0.95 -0.14 0.00 -0.15 0.00 0.00 54.97 53.80 1i21 s GLU 84 Cb -0.14 -1.85 -0.05 0.00 -0.44 0.00 0.00 34.13 31.65 1i21 s GLU 84 CO 0.06 0.49 0.29 0.50 0.95 0.00 0.00 175.26 177.55 1i21 s ARG 85 N -0.88 4.23 0.51 -4.83 3.52 -1.26 -1.22 118.95 119.02 1i21 s ARG 85 Ca 0.10 0.06 0.07 0.00 -0.13 0.00 0.00 55.73 55.83 1i21 s ARG 85 Cb -0.09 -3.46 0.03 0.00 -1.56 0.00 0.00 34.95 29.87 1i21 s ARG 85 CO 0.00 0.18 0.45 0.15 -0.81 0.00 0.00 175.30 175.27 1i21 s LYS 86 N 0.66 2.35 -0.18 5.12 1.02 0.40 -5.00 119.74 124.10 1i21 s LYS 86 Ca 0.16 -1.81 -0.16 0.00 0.02 0.00 0.00 55.97 54.18 1i21 s LYS 86 Cb -0.13 -2.27 -0.21 0.00 -0.52 0.00 0.00 37.83 34.70 1i21 s LYS 86 CO 0.04 -0.51 0.23 -0.89 -0.92 0.00 0.00 175.35 173.30 1i21 n ILE 87 N -1.76 1.62 -0.61 2.17 5.41 -1.26 -3.60 119.36 121.33 1i21 n ILE 87 Ca 0.03 -0.26 -0.30 0.00 1.00 0.00 0.00 62.75 63.21 1i21 n ILE 87 Cb 0.63 -1.92 0.20 0.00 -0.71 0.00 0.00 39.64 37.84 1i21 n ILE 87 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1i21 n ILE 88 N -4.09 0.00 -3.29 1.39 -5.35 -1.26 -0.57 119.36 106.19 1i21 n ILE 88 Ca -0.33 -0.26 -0.24 0.00 -0.27 0.00 0.00 62.75 61.64 1i21 n ILE 88 Cb 0.82 -0.88 0.04 0.00 -1.74 0.00 0.00 39.64 37.88 1i21 n ILE 88 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 1i21 n HIS 89 N -4.51 -2.21 -3.42 4.28 -0.00 -1.26 -1.40 115.22 106.69 1i21 n HIS 89 Ca 0.06 0.68 -0.20 0.00 0.46 0.00 0.00 57.72 58.71 1i21 n HIS 89 Cb 0.55 -4.40 0.06 0.00 -0.12 0.00 0.00 29.99 26.08 1i21 n HIS 89 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1i21 n GLU 90 N -4.31 -2.46 -3.62 1.57 -0.58 -1.21 -2.16 120.64 107.88 1i21 n GLU 90 Ca -0.06 0.73 -0.22 0.00 -0.42 0.00 0.00 57.16 57.20 1i21 n GLU 90 Cb 0.59 -5.30 0.06 0.00 -0.57 0.00 0.00 31.44 26.22 1i21 n GLU 90 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1i21 n LEU 91 N -3.64 -3.40 -4.80 -4.62 4.32 0.27 -4.94 117.00 100.18 1i21 n LEU 91 Ca -0.11 -0.69 -0.32 0.00 -0.02 0.00 0.00 56.01 54.87 1i21 n LEU 91 Cb 0.62 -2.88 0.04 0.00 -1.62 0.00 0.00 43.42 39.57 1i21 n LEU 91 CO 0.62 0.46 0.72 -0.83 -1.22 0.00 0.00 177.39 177.14 1i21 s GLY 92 N -3.98 1.93 -0.19 -0.72 0.00 -0.49 -4.61 107.32 99.25 1i21 s GLY 92 Ca 0.23 0.29 -0.14 0.00 0.00 0.00 0.00 44.72 45.10 1i21 s GLY 92 CO 0.77 0.62 0.30 1.08 0.00 0.00 0.00 173.10 175.86 1i21 s LEU 93 N -5.03 4.18 -0.07 0.66 1.43 -1.26 -0.46 118.68 118.13 1i21 s LEU 93 Ca 0.62 0.42 0.04 0.00 -1.03 0.00 0.00 54.13 54.17 1i21 s LEU 93 Cb -0.16 -2.36 -0.02 0.00 0.03 0.00 0.00 46.19 43.68 1i21 s LEU 93 CO 0.45 0.03 -0.17 0.00 0.23 0.00 0.00 176.35 176.89 1i21 s GLY 95 N -0.36 2.03 -0.24 0.00 0.00 -0.62 -1.29 107.32 106.85 1i21 s GLY 95 Ca 0.03 -0.77 0.02 0.00 0.00 0.00 0.00 44.72 44.00 1i21 s GLY 95 CO 0.02 -0.58 -0.12 0.30 0.00 0.00 0.00 173.10 172.73 1i21 s HIS 96 N -1.07 3.02 -0.11 1.90 3.76 0.82 -0.42 115.29 123.19 1i21 s HIS 96 Ca 0.18 -2.10 -0.23 0.00 -0.15 0.00 0.00 55.06 52.76 1i21 s HIS 96 Cb -0.12 -1.86 -0.03 0.00 1.11 0.00 0.00 32.58 31.68 1i21 s HIS 96 CO 0.08 -0.85 0.71 0.42 -0.85 0.00 0.00 174.74 174.26 1i21 s ILE 97 N 1.19 5.01 0.08 0.60 1.01 -0.44 -0.70 121.20 127.94 1i21 s ILE 97 Ca -0.06 1.43 -0.03 0.00 0.00 0.00 0.00 60.65 61.99 1i21 s ILE 97 Cb -0.18 -4.04 -0.03 0.00 0.01 0.00 0.00 42.46 38.22 1i21 s ILE 97 CO -0.07 0.18 0.05 -1.61 0.00 0.00 0.00 174.94 173.50 1i21 s GLU 98 N 1.27 0.73 -1.28 2.79 2.02 0.50 -4.50 118.70 120.23 1i21 s GLU 98 Ca 0.36 -1.18 -0.06 0.00 0.02 0.00 0.00 54.97 54.11 1i21 s GLU 98 Cb -0.17 0.26 -0.01 0.00 0.10 0.00 0.00 34.13 34.31 1i21 s GLU 98 CO 0.15 -0.18 0.64 -0.25 0.02 0.00 0.00 175.26 175.64 1i21 n ASP 99 N 0.03 -2.21 -4.68 -0.19 8.00 -1.26 -0.78 116.55 115.45 1i21 n ASP 99 Ca -0.13 -0.93 -0.41 0.00 0.71 0.00 0.00 54.79 54.02 1i21 n ASP 99 Cb 0.62 -3.57 -0.04 0.00 -0.02 0.00 0.00 41.12 38.11 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 -3.70 4.88 -0.16 0.53 -1.09 -1.26 -3.86 121.20 116.54 1i21 s ILE 100 Ca 0.15 1.74 -0.13 0.00 -2.23 0.00 0.00 60.65 60.18 1i21 s ILE 100 Cb -0.05 -4.18 0.05 0.00 -1.58 0.00 0.00 42.46 36.69 1i21 s ILE 100 CO 0.85 0.06 0.42 0.00 -1.23 0.00 0.00 174.94 175.04 1i21 s ALA 101 N 1.84 -1.05 -0.17 9.38 0.00 -0.23 -4.94 121.76 126.59 1i21 s ALA 101 Ca 0.42 1.29 -0.03 0.00 0.00 0.00 0.00 51.96 53.64 1i21 s ALA 101 Cb -0.17 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.16 1i21 s ALA 101 CO 0.16 -0.22 -0.05 0.08 0.00 0.00 0.00 175.76 175.73 1i21 s VAL 102 N 0.58 3.63 0.33 0.00 1.01 -1.26 -0.94 120.40 123.74 1i21 s VAL 102 Ca -0.03 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 1i21 s VAL 102 Cb -0.05 -2.60 -0.11 0.00 0.00 0.00 0.00 36.38 33.62 1i21 s VAL 102 CO -0.03 0.47 1.56 -3.20 0.00 0.00 0.00 175.10 173.89 1i21 n ASN 103 N 3.92 3.85 -0.20 3.32 5.15 0.75 -4.85 115.26 127.20 1i21 n ASN 103 Ca -0.18 1.18 -0.01 0.00 -0.60 0.00 0.00 54.58 54.97 1i21 n ASN 103 Cb 0.52 -1.61 0.06 0.00 -0.53 0.00 0.00 39.78 38.22 1i21 n ASN 103 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1i21 h SER 104 N 4.05 -0.51 0.01 1.20 0.02 -1.89 0.33 113.55 116.77 1i21 h SER 104 Ca -0.48 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1i21 h SER 104 Cb 1.23 0.35 0.00 0.00 0.14 0.00 0.00 62.40 64.12 1i21 h SER 104 CO 0.73 -0.18 0.00 0.29 -1.14 0.00 0.00 176.83 176.53 1i21 n LYS 105 N -5.39 0.00 -0.01 3.45 5.02 -1.26 -2.84 118.16 117.13 1i21 n LYS 105 Ca 0.07 0.39 0.01 0.00 -2.02 0.00 0.00 58.31 56.76 1i21 n LYS 105 Cb 0.32 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.84 1i21 n LYS 105 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1i21 n TYR 106 N -1.40 0.04 -1.22 2.13 4.02 0.11 -5.08 117.16 115.76 1i21 n TYR 106 Ca 0.00 -0.35 -0.31 0.00 -0.01 0.00 0.00 57.90 57.23 1i21 n TYR 106 Cb 0.01 -0.03 0.11 0.00 -0.02 0.00 0.00 39.34 39.40 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 -0.73 1.97 0.00 -0.72 -0.21 -1.13 -3.56 119.66 115.28 1i21 s GLN 107 Ca 0.02 1.11 0.00 0.00 0.02 0.00 0.00 55.36 56.52 1i21 s GLN 107 Cb 0.01 -1.87 0.00 0.00 1.00 0.00 0.00 33.01 32.15 1i21 s GLN 107 CO 0.02 -1.83 0.00 0.41 -2.12 0.00 0.00 175.29 171.77 1i21 n GLY 108 N -1.11 2.23 0.95 3.09 0.00 -1.26 -4.84 105.19 104.24 1i21 n GLY 108 Ca 0.09 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.21 1i21 n GLY 108 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i21 n GLN 109 N -2.00 2.21 -1.10 1.61 6.02 -1.23 -4.95 117.38 117.94 1i21 n GLN 109 Ca 0.00 -1.86 -0.03 0.00 -0.01 0.00 0.00 57.00 55.10 1i21 n GLN 109 Cb 0.00 -1.44 -0.01 0.00 1.02 0.00 0.00 30.24 29.81 1i21 n GLN 109 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1i21 n GLY 110 N 1.35 0.61 0.29 1.08 0.00 -1.26 -4.92 105.19 102.34 1i21 n GLY 110 Ca 0.18 -0.34 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 1i21 n GLY 110 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1i21 h LEU 111 N 0.00 0.85 -0.59 0.99 3.38 -1.93 -2.69 115.31 115.33 1i21 h LEU 111 Ca -0.07 -0.23 0.12 0.00 0.09 0.00 0.00 57.88 57.79 1i21 h LEU 111 Cb 0.40 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 40.83 1i21 h LEU 111 CO 0.10 0.93 0.08 1.23 0.09 0.00 0.00 178.44 180.87 1i21 h GLY 112 N 0.99 0.71 0.93 0.83 0.00 -1.94 0.58 103.07 105.17 1i21 h GLY 112 Ca 0.15 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 1i21 h GLY 112 CO 0.03 -0.14 0.13 1.70 0.00 0.00 0.00 176.54 178.26 1i21 h LYS 113 N 0.20 0.59 -0.47 4.80 3.64 -1.94 -0.30 116.57 123.10 1i21 h LYS 113 Ca 0.31 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 1i21 h LYS 113 Cb 0.48 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 1i21 h LYS 113 CO -0.44 0.59 0.26 -0.07 -2.27 0.00 0.00 179.45 177.52 1i21 h LEU 114 N 0.48 0.40 -0.02 5.20 3.38 -1.04 -1.42 115.31 122.29 1i21 h LEU 114 Ca 0.13 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.12 1i21 h LEU 114 Cb 0.23 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1i21 h LEU 114 CO -0.01 0.28 -0.04 0.25 0.09 0.00 0.00 178.44 179.02 1i21 h LEU 115 N 0.52 -0.12 -1.13 1.67 5.85 -0.70 -1.52 115.31 119.89 1i21 h LEU 115 Ca 0.20 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.95 1i21 h LEU 115 Cb 0.06 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 1i21 h LEU 115 CO -0.11 -0.06 0.59 0.40 -0.34 0.00 0.00 178.44 178.92 1i21 h ILE 116 N -0.06 1.22 -0.81 4.05 1.08 -0.81 -0.90 117.51 121.28 1i21 h ILE 116 Ca 0.02 -0.41 -0.01 0.00 -0.39 0.00 0.00 64.86 64.07 1i21 h ILE 116 Cb 0.09 -0.08 -0.04 0.00 -3.07 0.00 0.00 36.82 33.73 1i21 h ILE 116 CO -0.05 0.22 0.46 -0.78 -0.69 0.00 0.00 178.15 177.31 1i21 h ASP 117 N 1.20 1.00 -0.19 1.72 3.58 -1.04 0.60 116.42 123.29 1i21 h ASP 117 Ca 0.33 -0.09 -0.06 0.00 0.42 0.00 0.00 57.03 57.64 1i21 h ASP 117 Cb -0.13 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 40.66 1i21 h ASP 117 CO -0.07 0.79 -0.10 1.56 -2.88 0.00 0.00 179.24 178.54 1i21 h GLN 118 N 1.12 0.40 -0.69 0.28 1.08 -0.34 -2.04 115.11 114.93 1i21 h GLN 118 Ca 0.29 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 1i21 h GLN 118 Cb 0.00 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.39 1i21 h GLN 118 CO -0.05 0.70 0.44 -0.07 -0.95 0.00 0.00 178.83 178.91 1i21 h LEU 119 N 0.08 0.80 -0.69 1.46 3.38 -0.93 -1.72 115.31 117.69 1i21 h LEU 119 Ca 0.04 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1i21 h LEU 119 Cb 0.59 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 1i21 h LEU 119 CO 0.03 0.60 0.44 0.58 0.09 0.00 0.00 178.44 180.18 1i21 h VAL 120 N 0.94 1.13 -0.47 1.22 2.07 -0.84 -0.05 116.25 120.24 1i21 h VAL 120 Ca 0.25 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1i21 h VAL 120 Cb -0.08 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 29.84 1i21 h VAL 120 CO -0.05 0.16 0.25 0.74 0.02 0.00 0.00 177.57 178.69 1i21 h THR 121 N 0.88 1.17 0.21 2.57 2.02 -1.01 0.02 112.91 118.78 1i21 h THR 121 Ca 0.27 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 1i21 h THR 121 Cb -0.03 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1i21 h THR 121 CO -0.09 0.18 -0.10 0.40 0.37 0.00 0.00 175.52 176.29 1i21 h ILE 122 N 0.62 0.85 -0.25 3.11 2.04 -1.13 -0.43 117.51 122.33 1i21 h ILE 122 Ca 0.16 -0.33 0.06 0.00 1.00 0.00 0.00 64.86 65.76 1i21 h ILE 122 Cb 0.07 1.05 -0.07 0.00 -0.74 0.00 0.00 36.82 37.12 1i21 h ILE 122 CO -0.02 0.07 -0.28 1.23 0.00 0.00 0.00 178.15 179.15 1i21 h GLY 123 N -0.44 -0.25 1.87 5.37 0.00 -0.75 -1.23 103.07 107.63 1i21 h GLY 123 Ca -0.03 0.35 -0.08 0.00 0.00 0.00 0.00 47.33 47.57 1i21 h GLY 123 CO 0.05 -0.21 -0.34 0.74 0.00 0.00 0.00 176.54 176.78 1i21 h PHE 124 N -0.29 0.16 0.00 5.60 0.04 -0.92 -2.59 116.94 118.94 1i21 h PHE 124 Ca 0.13 -0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.81 1i21 h PHE 124 Cb 0.50 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 1i21 h PHE 124 CO -0.43 0.47 -0.27 -0.44 -0.60 0.00 0.00 178.31 177.05 1i21 h ASP 125 N 0.13 0.00 1.53 2.17 3.32 -0.56 -1.93 116.42 121.08 1i21 h ASP 125 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1i21 h ASP 125 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1i21 h ASP 125 CO 0.05 0.27 0.00 1.88 -1.72 0.00 0.00 179.24 179.72 1i21 h TYR 126 N 0.00 0.00 0.00 4.55 0.05 -0.86 -3.47 116.97 117.24 1i21 h TYR 126 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1i21 h TYR 126 Cb 0.78 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.52 1i21 h TYR 126 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.52 1i21 n GLY 127 N 0.88 1.20 3.73 3.88 0.00 -0.72 -4.99 105.19 109.17 1i21 n GLY 127 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1i21 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i21 n TYR 129 N 1.32 0.63 -3.55 0.00 0.18 -0.64 -4.74 117.16 110.36 1i21 n TYR 129 Ca 0.06 0.18 -0.09 0.00 1.88 0.00 0.00 57.90 59.94 1i21 n TYR 129 Cb 0.36 -0.72 -0.02 0.00 -0.38 0.00 0.00 39.34 38.59 1i21 n TYR 129 CO 0.00 0.00 0.00 -1.59 -2.08 0.00 0.00 176.86 173.19 1i21 s LYS 130 N -3.14 1.12 -0.01 -3.48 -2.85 -1.26 -5.11 119.74 105.01 1i21 s LYS 130 Ca 0.08 -0.48 0.02 0.00 -1.00 0.00 0.00 55.97 54.58 1i21 s LYS 130 Cb 0.13 0.47 -0.00 0.00 -2.06 0.00 0.00 37.83 36.37 1i21 s LYS 130 CO 0.69 -0.50 -0.06 0.42 0.10 0.00 0.00 175.35 176.00 1i21 s ILE 131 N -3.43 0.50 0.17 3.79 1.01 -1.26 -1.59 121.20 120.39 1i21 s ILE 131 Ca 0.05 -0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.48 1i21 s ILE 131 Cb -0.02 -0.44 -0.05 0.00 0.01 0.00 0.00 42.46 41.97 1i21 s ILE 131 CO -0.07 0.15 -0.03 0.27 0.00 0.00 0.00 174.94 175.27 1i21 s ILE 132 N -0.03 0.82 0.13 2.92 -4.36 0.44 -4.93 121.20 116.20 1i21 s ILE 132 Ca 0.01 -2.00 -0.24 0.00 -0.26 0.00 0.00 60.65 58.16 1i21 s ILE 132 Cb -0.04 -2.05 0.07 0.00 1.25 0.00 0.00 42.46 41.69 1i21 s ILE 132 CO -0.00 -0.55 0.60 -1.48 0.24 0.00 0.00 174.94 173.75 1i21 s LEU 133 N -3.18 -0.52 -0.07 0.37 0.05 -1.26 -1.33 118.68 112.75 1i21 s LEU 133 Ca 0.22 0.07 0.00 0.00 0.05 0.00 0.00 54.13 54.47 1i21 s LEU 133 Cb 0.05 2.54 -0.03 0.00 -2.05 0.00 0.00 46.19 46.70 1i21 s LEU 133 CO 0.03 -0.92 -0.04 -1.81 -0.55 0.00 0.00 176.35 173.06 1i21 s ASP 134 N -2.55 4.84 0.11 1.48 1.01 -1.26 -5.04 116.67 115.26 1i21 s ASP 134 Ca -0.00 0.02 -0.06 0.00 0.71 0.00 0.00 52.55 53.22 1i21 s ASP 134 Cb -0.01 -1.26 -0.02 0.00 1.01 0.00 0.00 42.92 42.64 1i21 s ASP 134 CO -0.10 0.36 0.14 0.00 0.21 0.00 0.00 175.17 175.78 1i21 s ASP 136 N -2.94 6.02 0.54 0.00 1.01 -1.26 -4.92 116.67 115.12 1i21 s ASP 136 Ca 0.13 1.77 0.34 0.00 0.71 0.00 0.00 52.55 55.50 1i21 s ASP 136 Cb 0.06 -2.53 1.52 0.00 1.01 0.00 0.00 42.92 42.98 1i21 s ASP 136 CO -0.05 -1.01 1.84 -0.08 0.21 0.00 0.00 175.17 176.09 1i21 h GLU 137 N 0.63 0.00 0.00 8.23 4.57 -2.02 -0.59 114.58 125.40 1i21 h GLU 137 Ca -0.47 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1i21 h GLU 137 Cb 1.21 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1i21 h GLU 137 CO 0.58 0.00 0.00 1.57 -1.18 0.00 0.00 179.01 179.99 1i21 h LYS 138 N 0.00 0.00 -0.30 1.92 2.10 -2.07 -3.18 116.57 115.05 1i21 h LYS 138 Ca 0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.15 1i21 h LYS 138 Cb 2.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.34 1i21 h LYS 138 CO -0.01 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.53 1i21 n ASN 139 N -2.75 2.93 -0.07 7.07 3.02 -0.23 -4.56 115.26 120.66 1i21 n ASN 139 Ca 0.04 -1.92 -0.10 0.00 -0.03 0.00 0.00 54.58 52.58 1i21 n ASN 139 Cb 0.46 -0.19 -0.02 0.00 -0.61 0.00 0.00 39.78 39.41 1i21 n ASN 139 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1i21 h VAL 140 N 3.87 1.09 -0.75 2.41 2.07 -1.58 -1.51 116.25 121.85 1i21 h VAL 140 Ca 0.00 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1i21 h VAL 140 Cb 0.85 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1i21 h VAL 140 CO 0.00 0.09 0.36 0.11 0.02 0.00 0.00 177.57 178.15 1i21 h LYS 141 N 0.34 1.08 -0.47 1.57 1.79 -1.84 0.10 116.57 119.14 1i21 h LYS 141 Ca 0.10 -0.15 0.03 0.00 -2.18 0.00 0.00 60.65 58.45 1i21 h LYS 141 Cb 0.01 -0.20 -0.04 0.00 -1.58 0.00 0.00 32.23 30.42 1i21 h LYS 141 CO -0.02 0.83 0.25 0.35 -1.08 0.00 0.00 179.45 179.79 1i21 h PHE 142 N 1.07 0.46 0.00 -1.35 3.57 -1.75 -0.17 116.94 118.77 1i21 h PHE 142 Ca 0.26 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.67 1i21 h PHE 142 Cb 0.12 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 1i21 h PHE 142 CO 0.01 0.25 -0.51 1.88 -2.23 0.00 0.00 178.31 177.71 1i21 h TYR 143 N 0.50 0.00 -0.38 0.41 -1.99 -0.14 -2.46 116.97 112.91 1i21 h TYR 143 Ca 0.20 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.79 1i21 h TYR 143 Cb 0.08 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.80 1i21 h TYR 143 CO -0.09 0.51 -0.30 0.93 -0.00 0.00 0.00 178.16 179.21 1i21 h GLU 144 N 0.00 0.83 0.00 4.88 5.08 -0.41 -1.32 114.58 123.64 1i21 h GLU 144 Ca -0.01 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1i21 h GLU 144 Cb 1.03 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1i21 h GLU 144 CO 0.07 1.02 0.00 0.87 -1.00 0.00 0.00 179.01 179.96 1i21 h LYS 145 N 0.70 0.00 -0.32 2.33 1.57 -0.56 -1.13 116.57 119.15 1i21 h LYS 145 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1i21 h LYS 145 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1i21 h LYS 145 CO 0.07 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.95 1i21 n GLY 147 N 1.41 0.66 3.86 0.00 0.00 -0.43 -4.98 105.19 105.72 1i21 n GLY 147 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 3.42 0.13 1.61 0.40 -0.58 -5.00 117.98 115.96 1i21 s PHE 148 Ca 0.00 1.06 0.06 0.00 -0.60 0.00 0.00 56.93 57.45 1i21 s PHE 148 Cb 0.00 -2.40 -0.04 0.00 0.51 0.00 0.00 43.02 41.09 1i21 s PHE 148 CO 0.00 0.20 -0.13 -1.54 0.70 0.00 0.00 175.22 174.45 1i21 s SER 149 N -2.26 1.98 0.02 1.36 1.04 -1.26 -3.87 113.70 110.71 1i21 s SER 149 Ca 0.50 -0.84 -0.30 0.00 0.48 0.00 0.00 55.95 55.78 1i21 s SER 149 Cb -0.11 -0.06 -0.08 0.00 0.10 0.00 0.00 66.02 65.87 1i21 s SER 149 CO 0.19 -0.17 1.88 0.21 0.98 0.00 0.00 173.24 176.33 1i21 s ASN 150 N -2.58 6.50 0.00 7.02 3.84 -1.26 -4.87 114.94 123.59 1i21 s ASN 150 Ca 0.10 2.57 0.04 0.00 0.21 0.00 0.00 52.86 55.78 1i21 s ASN 150 Cb -0.04 -2.53 -0.01 0.00 -0.55 0.00 0.00 41.25 38.12 1i21 s ASN 150 CO 0.03 -1.02 0.35 0.00 -2.79 0.00 0.00 177.10 173.67 1i21 n ALA 151 N 7.29 2.49 0.00 1.71 0.00 -1.26 -5.11 120.51 125.63 1i21 n ALA 151 Ca 0.19 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1i21 n ALA 151 Cb 0.41 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.72 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 0.74 -0.56 3.16 0.00 0.00 -1.26 -5.12 105.19 102.16 1i21 n GLY 152 Ca 0.01 -1.08 -0.28 0.00 0.00 0.00 0.00 46.02 44.67 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 -3.00 1.66 0.87 1.61 1.01 -1.26 -5.13 120.40 116.16 1i21 s VAL 153 Ca 0.00 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 61.07 1i21 s VAL 153 Cb 0.00 -1.44 0.18 0.00 0.00 0.00 0.00 36.38 35.12 1i21 s VAL 153 CO 0.00 0.47 1.19 -0.70 0.00 0.00 0.00 175.10 176.06 1i21 s GLU 154 N 0.22 0.99 0.00 2.72 2.12 -1.26 -5.21 118.70 118.28 1i21 s GLU 154 Ca -0.10 -0.79 0.00 0.00 0.36 0.00 0.00 54.97 54.44 1i21 s GLU 154 Cb -0.15 -2.05 0.00 0.00 0.26 0.00 0.00 34.13 32.19 1i21 s GLU 154 CO 0.05 -2.06 0.00 0.00 -0.54 0.00 0.00 175.26 172.71 1i21 n GLN 156 N -3.39 0.00 -3.78 4.30 10.64 -1.26 -5.16 117.38 118.73 1i21 n GLN 156 Ca 0.16 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 55.20 1i21 n GLN 156 Cb 0.60 0.00 -0.14 0.00 -0.86 0.00 0.00 30.24 29.84 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 -0.03 -2.42 -0.39 2.07 -1.26 -5.41 121.20 111.76 1i21 s ILE 157 Ca 0.00 0.13 0.19 0.00 -1.41 0.00 0.00 60.65 59.56 1i21 s ILE 157 Cb 0.00 -0.18 0.15 0.00 0.13 0.00 0.00 42.46 42.56 1i21 s ILE 157 CO 0.00 0.05 1.11 0.54 -1.91 0.00 0.00 174.94 174.74