#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 3.03 0.75 2.46 1.43 0.12 -4.94 118.68 121.53 1i21 s LEU 3 Ca 0.00 -0.93 -0.11 0.00 -1.03 0.00 0.00 54.13 52.06 1i21 s LEU 3 Cb 0.00 -1.56 0.04 0.00 0.03 0.00 0.00 46.19 44.70 1i21 s LEU 3 CO 0.00 -1.28 1.08 -2.84 0.23 0.00 0.00 176.35 173.54 1i21 s PRO 4 N -4.57 2.49 -1.56 1.29 0.02 -1.26 -4.09 135.00 127.32 1i21 s PRO 4 Ca 0.56 0.88 -0.01 0.00 0.02 0.00 0.00 61.00 62.44 1i21 s PRO 4 Cb -0.05 -1.95 0.01 0.00 0.02 0.00 0.00 34.50 32.53 1i21 s PRO 4 CO 0.35 -1.39 0.15 -0.25 -0.33 0.00 0.00 177.00 175.53 1i21 n ASP 5 N -3.32 -5.43 0.00 2.53 8.00 -1.26 -3.04 116.55 114.04 1i21 n ASP 5 Ca 0.08 -0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.53 1i21 n ASP 5 Cb 0.54 -4.50 0.00 0.00 -0.02 0.00 0.00 41.12 37.14 1i21 n ASP 5 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i21 n GLY 6 N -1.09 0.52 3.59 0.44 0.00 -1.26 -4.97 105.19 102.43 1i21 n GLY 6 Ca -0.19 -0.88 -0.25 0.00 0.00 0.00 0.00 46.02 44.71 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 2.63 0.07 1.61 0.40 -1.17 0.01 117.98 119.54 1i21 s PHE 7 Ca 0.00 -0.23 -0.10 0.00 -0.60 0.00 0.00 56.93 56.00 1i21 s PHE 7 Cb 0.00 -1.22 0.00 0.00 0.51 0.00 0.00 43.02 42.32 1i21 s PHE 7 CO 0.00 0.58 0.22 1.52 0.70 0.00 0.00 175.22 178.24 1i21 s TYR 8 N -2.07 0.08 -0.05 0.36 -0.85 -0.44 -0.70 117.35 113.68 1i21 s TYR 8 Ca 0.28 -0.41 0.06 0.00 -0.52 0.00 0.00 57.07 56.48 1i21 s TYR 8 Cb -0.07 -0.02 -0.01 0.00 0.38 0.00 0.00 41.96 42.24 1i21 s TYR 8 CO 0.17 -0.52 -0.23 -1.50 -1.52 0.00 0.00 175.55 171.96 1i21 s ILE 9 N -3.38 1.87 0.30 -3.49 2.07 -1.26 0.82 121.20 118.14 1i21 s ILE 9 Ca 0.01 -0.97 -0.08 0.00 -1.41 0.00 0.00 60.65 58.20 1i21 s ILE 9 Cb 0.03 -1.58 0.00 0.00 0.13 0.00 0.00 42.46 41.03 1i21 s ILE 9 CO -0.08 0.53 0.49 0.00 -1.91 0.00 0.00 174.94 173.97 1i21 s ARG 10 N -0.18 1.77 0.00 3.50 1.70 -1.05 -4.73 118.95 119.97 1i21 s ARG 10 Ca -0.02 -1.52 0.00 0.00 -0.47 0.00 0.00 55.73 53.73 1i21 s ARG 10 Cb -0.12 0.47 0.00 0.00 -0.57 0.00 0.00 34.95 34.72 1i21 s ARG 10 CO 0.03 -0.74 0.00 0.54 -1.08 0.00 0.00 175.30 174.04 1i21 n ARG 11 N -0.48 0.33 -3.54 3.89 1.74 -1.26 -1.75 116.66 115.59 1i21 n ARG 11 Ca -0.01 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.99 1i21 n ARG 11 Cb 0.62 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 32.03 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 0.65 0.37 5.56 2.02 -1.26 -4.77 118.70 121.27 1i21 s GLU 13 Ca 0.00 -0.17 0.13 0.00 0.02 0.00 0.00 54.97 54.94 1i21 s GLU 13 Cb 0.00 0.30 0.93 0.00 0.10 0.00 0.00 34.13 35.47 1i21 s GLU 13 CO 0.00 -0.27 1.83 0.93 0.02 0.00 0.00 175.26 177.77 1i21 h GLU 14 N 2.11 0.55 0.00 1.61 5.08 -1.96 0.25 114.58 122.21 1i21 h GLU 14 Ca -0.18 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1i21 h GLU 14 Cb 1.21 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1i21 h GLU 14 CO 0.29 0.36 0.00 0.41 -1.00 0.00 0.00 179.01 179.07 1i21 n GLY 15 N -1.45 -1.00 0.00 -3.84 0.00 -1.26 -3.00 105.19 94.64 1i21 n GLY 15 Ca 0.20 -0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.71 0.00 -0.38 1.61 8.00 0.86 -4.50 116.55 120.43 1i21 n ASP 16 Ca 0.03 -0.75 -0.11 0.00 0.71 0.00 0.00 54.79 54.66 1i21 n ASP 16 Cb 0.16 -0.07 -0.09 0.00 -0.02 0.00 0.00 41.12 41.09 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 -2.09 0.29 0.64 5.85 -1.72 -1.43 115.31 116.85 1i21 h LEU 17 Ca 0.00 0.32 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 1i21 h LEU 17 Cb 0.07 0.92 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 1i21 h LEU 17 CO 0.00 -0.26 -0.18 1.05 -0.34 0.00 0.00 178.44 178.71 1i21 h GLU 18 N -0.05 -0.44 -0.47 1.25 -0.00 -1.91 -1.49 114.58 111.47 1i21 h GLU 18 Ca 0.16 0.03 -0.07 0.00 -0.00 0.00 0.00 59.36 59.48 1i21 h GLU 18 Cb 0.44 0.10 -0.02 0.00 -0.00 0.00 0.00 28.75 29.27 1i21 h GLU 18 CO -0.89 -0.29 0.02 1.96 -0.00 0.00 0.00 179.01 179.81 1i21 h GLN 19 N -0.45 0.76 0.01 1.06 4.20 -1.86 -0.98 115.11 117.86 1i21 h GLN 19 Ca -0.03 -0.19 -0.25 0.00 0.06 0.00 0.00 58.65 58.24 1i21 h GLN 19 Cb 0.38 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.07 1i21 h GLN 19 CO 0.03 0.76 -1.01 0.28 -0.67 0.00 0.00 178.83 178.22 1i21 h VAL 20 N 0.72 1.35 -0.52 -0.54 2.07 -1.25 -0.51 116.25 117.57 1i21 h VAL 20 Ca 0.15 -2.40 -0.07 0.00 0.82 0.00 0.00 66.70 65.20 1i21 h VAL 20 Cb 0.41 2.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 1i21 h VAL 20 CO 0.01 0.72 0.06 0.71 0.02 0.00 0.00 177.57 179.10 1i21 h THR 21 N 0.29 1.24 -0.23 2.57 1.35 -1.17 -0.16 112.91 116.80 1i21 h THR 21 Ca -0.11 -0.94 -0.01 0.00 -0.55 0.00 0.00 66.41 64.81 1i21 h THR 21 Cb 1.65 0.78 -0.01 0.00 -1.73 0.00 0.00 68.15 68.84 1i21 h THR 21 CO 0.18 0.34 0.11 -0.08 -0.25 0.00 0.00 175.52 175.82 1i21 h GLU 22 N 0.79 0.33 0.00 4.72 4.81 -0.87 -2.18 114.58 122.18 1i21 h GLU 22 Ca 0.16 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.24 1i21 h GLU 22 Cb 0.39 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1i21 h GLU 22 CO 0.01 0.35 -0.45 1.79 -0.73 0.00 0.00 179.01 179.98 1i21 h THR 23 N 0.24 0.96 0.00 0.32 1.35 -0.79 -2.90 112.91 112.08 1i21 h THR 23 Ca 0.08 -1.81 -0.02 0.00 -0.55 0.00 0.00 66.41 64.11 1i21 h THR 23 Cb 0.13 2.10 -0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1i21 h THR 23 CO -0.01 0.44 -0.11 -0.07 -0.25 0.00 0.00 175.52 175.52 1i21 h LEU 24 N 0.00 0.00 -2.07 3.87 3.38 -0.80 -2.23 115.31 117.47 1i21 h LEU 24 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1i21 h LEU 24 Cb 1.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1i21 h LEU 24 CO 0.06 0.11 -0.08 0.11 0.09 0.00 0.00 178.44 178.72 1i21 h LYS 25 N 0.00 0.00 -0.67 1.13 1.57 -1.17 0.20 116.57 117.62 1i21 h LYS 25 Ca -0.00 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1i21 h LYS 25 Cb 0.67 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.94 1i21 h LYS 25 CO 0.01 0.08 0.44 0.28 -0.57 0.00 0.00 179.45 179.70 1i21 h VAL 26 N 0.00 1.01 0.06 0.50 2.07 -1.54 -2.88 116.25 115.47 1i21 h VAL 26 Ca -0.00 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1i21 h VAL 26 Cb 0.26 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1i21 h VAL 26 CO 0.01 0.12 -0.03 0.25 0.02 0.00 0.00 177.57 177.95 1i21 h LEU 27 N 0.68 -0.07 0.00 2.57 5.85 -0.79 -3.51 115.31 120.04 1i21 h LEU 27 Ca 0.29 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1i21 h LEU 27 Cb 0.27 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1i21 h LEU 27 CO -0.09 0.54 0.00 1.07 -0.34 0.00 0.00 178.44 179.62 1i21 n THR 28 N -4.80 0.00 -2.66 1.05 5.66 -0.79 -5.13 114.28 107.61 1i21 n THR 28 Ca -0.04 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.54 1i21 n THR 28 Cb 0.16 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.91 1i21 n THR 28 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1i21 s THR 29 N -0.87 4.71 -0.26 1.09 -1.32 -1.26 -4.13 115.64 113.60 1i21 s THR 29 Ca 0.00 1.99 -0.08 0.00 -1.21 0.00 0.00 61.69 62.40 1i21 s THR 29 Cb 0.00 -4.28 -0.15 0.00 -1.51 0.00 0.00 72.50 66.56 1i21 s THR 29 CO 0.00 -0.03 -0.24 0.52 -2.21 0.00 0.00 174.62 172.65 1i21 n VAL 30 N 4.71 1.53 -2.75 5.08 0.31 -1.26 -5.01 118.33 120.94 1i21 n VAL 30 Ca 0.10 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1i21 n VAL 30 Cb 0.48 -1.70 -0.00 0.00 -0.91 0.00 0.00 33.84 31.71 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 1.69 -2.15 3.72 2.92 0.00 -1.26 -4.87 105.19 105.23 1i21 n GLY 31 Ca -0.49 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.32 4.67 -0.19 2.61 2.01 -1.26 -5.03 115.64 118.14 1i21 s THR 32 Ca 0.00 1.99 -0.04 0.00 0.31 0.00 0.00 61.69 63.94 1i21 s THR 32 Cb 0.00 -4.27 0.09 0.00 0.01 0.00 0.00 72.50 68.33 1i21 s THR 32 CO 0.00 0.19 0.20 -0.63 -0.69 0.00 0.00 174.62 173.70 1i21 s ILE 33 N 0.77 -0.30 0.38 1.82 1.01 -1.26 -5.14 121.20 118.48 1i21 s ILE 33 Ca 0.52 -0.09 -0.25 0.00 0.00 0.00 0.00 60.65 60.83 1i21 s ILE 33 Cb -0.23 -0.64 -0.09 0.00 0.01 0.00 0.00 42.46 41.51 1i21 s ILE 33 CO 0.29 -0.19 1.08 0.42 0.00 0.00 0.00 174.94 176.54 1i21 s THR 34 N 2.31 3.57 0.57 2.92 -4.23 -1.26 -4.88 115.64 114.63 1i21 s THR 34 Ca 0.06 1.28 0.31 0.00 -1.18 0.00 0.00 61.69 62.15 1i21 s THR 34 Cb -0.15 -3.70 0.44 0.00 1.34 0.00 0.00 72.50 70.43 1i21 s THR 34 CO -0.11 0.08 1.84 1.55 -0.54 0.00 0.00 174.62 177.44 1i21 h PRO 35 N 2.73 0.00 0.03 3.99 0.13 -1.99 0.40 132.00 137.28 1i21 h PRO 35 Ca -0.48 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.49 1i21 h PRO 35 Cb 1.22 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.36 1i21 h PRO 35 CO 0.63 0.00 -0.66 0.93 -0.23 0.00 0.00 178.00 178.67 1i21 h GLU 36 N 0.00 0.39 0.10 0.86 5.08 -2.00 -2.24 114.58 116.77 1i21 h GLU 36 Ca 0.36 -0.46 0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1i21 h GLU 36 Cb 1.64 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 31.00 1i21 h GLU 36 CO -0.00 1.14 -0.30 0.77 -1.00 0.00 0.00 179.01 179.61 1i21 h SER 37 N -0.14 -0.87 -0.71 1.42 0.02 -1.34 -2.55 113.55 109.37 1i21 h SER 37 Ca -0.09 0.10 0.14 0.00 -0.84 0.00 0.00 61.79 61.11 1i21 h SER 37 Cb 1.39 0.34 -0.10 0.00 0.14 0.00 0.00 62.40 64.17 1i21 h SER 37 CO 0.13 -0.39 0.21 0.15 -1.14 0.00 0.00 176.83 175.79 1i21 h PHE 38 N -0.51 0.34 -0.59 3.45 3.57 -1.25 -0.01 116.94 121.94 1i21 h PHE 38 Ca 0.04 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 1i21 h PHE 38 Cb 0.55 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 1i21 h PHE 38 CO -0.28 -0.02 0.21 0.00 -2.23 0.00 0.00 178.31 175.98 1i21 h LYS 40 N 0.86 0.83 -0.14 0.00 1.57 -0.95 0.35 116.57 119.09 1i21 h LYS 40 Ca 0.20 -0.51 0.01 0.00 -1.87 0.00 0.00 60.65 58.47 1i21 h LYS 40 Cb 0.22 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1i21 h LYS 40 CO -0.01 1.15 0.07 1.25 -0.57 0.00 0.00 179.45 181.33 1i21 h LEU 41 N 0.60 0.10 -1.04 2.94 5.85 -0.34 0.27 115.31 123.67 1i21 h LEU 41 Ca 0.02 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1i21 h LEU 41 Cb 1.09 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 1i21 h LEU 41 CO 0.11 0.08 0.48 0.40 -0.34 0.00 0.00 178.44 179.17 1i21 h ILE 42 N 0.15 1.24 -0.31 4.05 1.08 0.66 -0.28 117.51 124.09 1i21 h ILE 42 Ca 0.06 -0.55 -0.08 0.00 -0.39 0.00 0.00 64.86 63.89 1i21 h ILE 42 Cb 0.01 0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 33.83 1i21 h ILE 42 CO -0.04 0.26 -0.16 0.50 -0.69 0.00 0.00 178.15 178.01 1i21 h LYS 43 N 1.16 0.56 -0.06 2.37 3.64 0.28 -0.81 116.57 123.71 1i21 h LYS 43 Ca 0.30 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1i21 h LYS 43 Cb -0.02 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1i21 h LYS 43 CO -0.05 0.70 -0.03 -0.92 -2.27 0.00 0.00 179.45 176.88 1i21 h TYR 44 N 0.51 0.15 0.00 1.91 3.20 -0.27 -2.31 116.97 120.15 1i21 h TYR 44 Ca 0.09 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1i21 h TYR 44 Cb 0.57 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.81 1i21 h TYR 44 CO 0.02 0.50 -0.03 -1.49 -1.64 0.00 0.00 178.16 175.52 1i21 h TRP 45 N -0.25 0.00 -0.01 -3.82 6.55 -0.74 -0.51 115.95 117.17 1i21 h TRP 45 Ca 0.01 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.85 1i21 h TRP 45 Cb 0.46 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.76 1i21 h TRP 45 CO 0.07 0.03 -0.31 0.09 -1.05 0.00 0.00 178.44 177.26 1i21 n ASN 46 N -3.87 1.62 -0.07 -3.49 3.02 -0.34 -4.35 115.26 107.78 1i21 n ASN 46 Ca -0.03 -1.28 -0.09 0.00 -0.03 0.00 0.00 54.58 53.15 1i21 n ASN 46 Cb 0.12 0.26 -0.07 0.00 -0.61 0.00 0.00 39.78 39.47 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 -0.19 0.78 -1.68 3.52 1.02 -0.85 -4.99 120.64 118.26 1i21 n GLU 47 Ca 0.12 0.06 -0.45 0.00 -0.02 0.00 0.00 57.16 56.87 1i21 n GLU 47 Cb 0.42 -1.30 -0.04 0.00 -0.02 0.00 0.00 31.44 30.50 1i21 n GLU 47 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i21 n ALA 48 N -2.82 1.38 -2.48 0.62 0.00 -0.26 -4.97 120.51 111.99 1i21 n ALA 48 Ca -0.25 0.29 -0.26 0.00 0.00 0.00 0.00 53.44 53.22 1i21 n ALA 48 Cb 0.81 -2.55 -0.13 0.00 0.00 0.00 0.00 19.45 17.58 1i21 n ALA 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1i21 s THR 49 N 3.58 1.94 -0.25 0.00 2.01 -1.26 -2.68 115.64 118.99 1i21 s THR 49 Ca 0.88 -1.66 -0.10 0.00 0.31 0.00 0.00 61.69 61.12 1i21 s THR 49 Cb -0.58 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 1i21 s THR 49 CO 0.45 -0.02 0.14 -0.69 -0.69 0.00 0.00 174.62 173.80 1i21 s VAL 50 N -1.20 5.06 0.12 3.82 1.01 0.91 -4.79 120.40 125.35 1i21 s VAL 50 Ca 0.10 0.08 -0.35 0.00 0.00 0.00 0.00 61.98 61.81 1i21 s VAL 50 Cb -0.10 -3.37 -0.15 0.00 0.00 0.00 0.00 36.38 32.76 1i21 s VAL 50 CO 0.05 0.33 1.46 1.87 0.00 0.00 0.00 175.10 178.80 1i21 n TRP 51 N 4.59 1.88 0.00 5.22 -0.00 -1.26 -4.40 117.44 123.47 1i21 n TRP 51 Ca -0.15 0.46 0.00 0.00 -0.00 0.00 0.00 57.50 57.81 1i21 n TRP 51 Cb 0.52 -2.43 0.00 0.00 -0.00 0.00 0.00 31.31 29.39 1i21 n TRP 51 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 177.69 175.98 1i21 n ASN 52 N 2.96 0.00 0.03 5.87 5.15 -1.26 -5.06 115.26 122.96 1i21 n ASN 52 Ca 0.18 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.16 1i21 n ASN 52 Cb 0.24 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.49 1i21 n ASN 52 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1i21 n ASP 53 N 0.00 -0.13 0.00 1.20 -0.08 -1.26 -5.20 116.55 111.07 1i21 n ASP 53 Ca 0.00 0.10 0.00 0.00 -1.51 0.00 0.00 54.79 53.38 1i21 n ASP 53 Cb 0.00 0.22 0.00 0.00 2.34 0.00 0.00 41.12 43.68 1i21 n ASP 53 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1i21 n ASN 54 N -2.67 0.00 -1.03 1.67 6.94 -1.26 -5.10 115.26 113.80 1i21 n ASN 54 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1i21 n ASN 54 Cb 0.00 0.00 0.22 0.00 -2.36 0.00 0.00 39.78 37.64 1i21 n ASN 54 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1i21 n ASP 56 N 0.00 2.95 -4.69 0.53 8.00 -1.26 -4.83 116.55 117.25 1i21 n ASP 56 Ca 0.00 -3.49 -0.35 0.00 0.71 0.00 0.00 54.79 51.66 1i21 n ASP 56 Cb 0.00 -0.60 -0.09 0.00 -0.02 0.00 0.00 41.12 40.41 1i21 n ASP 56 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1i21 s LYS 57 N -3.09 3.66 -0.25 -1.24 -0.14 -1.26 -5.07 119.74 112.34 1i21 s LYS 57 Ca 0.43 -0.32 -0.22 0.00 -1.36 0.00 0.00 55.97 54.51 1i21 s LYS 57 Cb 0.38 -3.12 -0.01 0.00 -1.68 0.00 0.00 37.83 33.40 1i21 s LYS 57 CO 0.03 0.47 0.72 0.21 -0.76 0.00 0.00 175.35 176.02 1i21 s LYS 58 N -0.18 4.12 0.00 1.68 2.20 -1.26 -4.93 119.74 121.38 1i21 s LYS 58 Ca 0.08 0.70 0.00 0.00 -0.36 0.00 0.00 55.97 56.39 1i21 s LYS 58 Cb -0.12 -3.66 0.00 0.00 -1.51 0.00 0.00 37.83 32.54 1i21 s LYS 58 CO 0.01 -0.48 0.00 -0.89 -0.36 0.00 0.00 175.35 173.64 1i21 n ILE 59 N 5.25 0.00 0.00 5.43 5.41 -1.26 -5.05 119.36 129.13 1i21 n ILE 59 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.77 1i21 n ILE 59 Cb 0.48 -0.98 0.00 0.00 -0.71 0.00 0.00 39.64 38.43 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 -0.80 0.00 -4.10 0.38 7.27 -1.09 -0.06 117.38 118.97 1i21 n GLN 61 Ca 0.00 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.72 1i21 n GLN 61 Cb 0.00 -0.62 -0.09 0.00 2.41 0.00 0.00 30.24 31.94 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 -1.95 3.28 -0.45 3.69 1.51 -1.26 0.30 117.35 122.46 1i21 s TYR 62 Ca 0.00 0.18 0.08 0.00 -1.01 0.00 0.00 57.07 56.32 1i21 s TYR 62 Cb 0.00 -1.96 0.27 0.00 -0.11 0.00 0.00 41.96 40.16 1i21 s TYR 62 CO 0.00 0.35 0.64 0.09 -1.11 0.00 0.00 175.55 175.51 1i21 n ASN 63 N 2.84 1.37 -4.79 2.29 4.13 -1.05 -4.91 115.26 115.13 1i21 n ASN 63 Ca -0.18 -2.98 -0.34 0.00 1.68 0.00 0.00 54.58 52.77 1i21 n ASN 63 Cb 0.53 -0.64 -0.00 0.00 -1.54 0.00 0.00 39.78 38.13 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 -1.84 3.42 -0.29 3.52 0.05 -1.26 -3.28 135.00 135.33 1i21 s PRO 64 Ca 0.38 1.36 -0.17 0.00 0.05 0.00 0.00 61.00 62.62 1i21 s PRO 64 Cb 0.20 -2.04 0.15 0.00 0.05 0.00 0.00 34.50 32.87 1i21 s PRO 64 CO -0.09 -0.74 1.04 0.14 0.05 0.00 0.00 177.00 177.40 1i21 s VAL 66 N -2.14 0.00 -0.17 -0.36 -7.23 -0.72 -4.45 120.40 105.33 1i21 s VAL 66 Ca 0.67 0.00 -0.20 0.00 -1.81 0.00 0.00 61.98 60.64 1i21 s VAL 66 Cb -0.18 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.73 1i21 s VAL 66 CO 0.30 0.00 0.59 -0.63 -0.31 0.00 0.00 175.10 175.05 1i21 s ILE 67 N 1.14 5.07 -0.13 -0.62 1.01 0.15 -2.52 121.20 125.29 1i21 s ILE 67 Ca -0.07 1.13 -0.03 0.00 0.00 0.00 0.00 60.65 61.68 1i21 s ILE 67 Cb -0.04 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 1i21 s ILE 67 CO -0.13 0.17 -0.04 -0.69 0.00 0.00 0.00 174.94 174.25 1i21 s VAL 68 N 1.56 3.93 -0.34 2.92 1.01 0.24 0.12 120.40 129.84 1i21 s VAL 68 Ca 0.28 -0.36 -0.29 0.00 0.00 0.00 0.00 61.98 61.61 1i21 s VAL 68 Cb -0.16 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.53 1i21 s VAL 68 CO 0.11 0.53 1.27 -0.62 0.00 0.00 0.00 175.10 176.38 1i21 s ASP 69 N 0.00 6.66 0.42 3.32 -1.08 0.14 -1.32 116.67 124.80 1i21 s ASP 69 Ca 0.01 1.06 0.11 0.00 -0.52 0.00 0.00 52.55 53.21 1i21 s ASP 69 Cb -0.13 -2.54 0.89 0.00 -1.46 0.00 0.00 42.92 39.67 1i21 s ASP 69 CO 0.03 -1.12 1.96 0.50 0.52 0.00 0.00 175.17 177.06 1i21 h LYS 70 N 9.30 0.17 -0.99 4.34 1.63 -0.72 0.23 116.57 130.54 1i21 h LYS 70 Ca -0.25 -0.03 0.13 0.00 -0.85 0.00 0.00 60.65 59.64 1i21 h LYS 70 Cb 1.09 -0.03 -0.09 0.00 -0.60 0.00 0.00 32.23 32.61 1i21 h LYS 70 CO 1.05 0.29 0.61 0.00 -3.45 0.00 0.00 179.45 177.95 1i21 h ARG 71 N 0.16 0.92 0.00 1.90 3.08 -1.90 -3.18 114.38 115.36 1i21 h ARG 71 Ca 0.04 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1i21 h ARG 71 Cb 0.30 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1i21 h ARG 71 CO 0.02 0.61 -0.26 0.25 -1.07 0.00 0.00 179.97 179.52 1i21 n THR 72 N -4.65 0.54 -3.66 2.04 -2.24 -1.16 -5.01 114.28 100.13 1i21 n THR 72 Ca 0.19 -0.63 -0.28 0.00 -2.27 0.00 0.00 64.05 61.06 1i21 n THR 72 Cb 0.38 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 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 -0.39 -4.14 -4.03 -0.78 -0.58 0.79 -4.96 120.64 106.55 1i21 n GLU 73 Ca 0.04 0.53 -0.31 0.00 -0.42 0.00 0.00 57.16 56.99 1i21 n GLU 73 Cb 0.62 -5.31 -0.06 0.00 -0.57 0.00 0.00 31.44 26.12 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 -3.12 4.76 -0.18 2.62 -4.23 -1.09 -4.85 115.64 109.55 1i21 s THR 74 Ca 0.54 -0.60 -0.29 0.00 -1.18 0.00 0.00 61.69 60.15 1i21 s THR 74 Cb -0.28 -3.27 -0.01 0.00 1.34 0.00 0.00 72.50 70.28 1i21 s THR 74 CO 0.66 0.18 1.21 -0.69 -0.54 0.00 0.00 174.62 175.44 1i21 s VAL 75 N -1.37 4.38 -0.08 2.29 1.01 -1.26 0.27 120.40 125.64 1i21 s VAL 75 Ca 0.29 1.67 0.14 0.00 0.00 0.00 0.00 61.98 64.08 1i21 s VAL 75 Cb -0.12 -4.08 -0.24 0.00 0.00 0.00 0.00 36.38 31.94 1i21 s VAL 75 CO 0.21 -0.15 0.52 0.00 0.00 0.00 0.00 175.10 175.69 1i21 n ALA 76 N 6.53 1.50 -3.52 5.51 0.00 0.12 -4.77 120.51 125.87 1i21 n ALA 76 Ca 0.13 -0.90 -0.09 0.00 0.00 0.00 0.00 53.44 52.58 1i21 n ALA 76 Cb 0.45 -0.69 -0.02 0.00 0.00 0.00 0.00 19.45 19.19 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 -2.57 -1.70 -0.01 0.00 0.00 -1.03 0.50 121.76 116.95 1i21 s ALA 77 Ca -0.06 0.67 -0.08 0.00 0.00 0.00 0.00 51.96 52.49 1i21 s ALA 77 Cb 0.07 0.62 0.01 0.00 0.00 0.00 0.00 23.12 23.82 1i21 s ALA 77 CO 0.83 -0.77 0.17 -0.08 0.00 0.00 0.00 175.76 175.90 1i21 s THR 78 N -3.39 0.07 0.15 0.00 -1.32 -0.19 0.29 115.64 111.24 1i21 s THR 78 Ca 0.05 -0.55 -0.24 0.00 -1.21 0.00 0.00 61.69 59.75 1i21 s THR 78 Cb -0.01 -0.43 0.07 0.00 -1.51 0.00 0.00 72.50 70.62 1i21 s THR 78 CO -0.08 -0.30 0.64 -0.83 -2.21 0.00 0.00 174.62 171.83 1i21 s GLY 79 N -1.12 -0.58 0.02 6.08 0.00 -1.26 -0.52 107.32 109.93 1i21 s GLY 79 Ca -0.12 0.52 0.00 0.00 0.00 0.00 0.00 44.72 45.12 1i21 s GLY 79 CO 0.02 0.17 -0.03 0.21 0.00 0.00 0.00 173.10 173.47 1i21 s ASN 80 N -2.73 0.26 -0.09 1.64 3.84 -0.72 -4.42 114.94 112.73 1i21 s ASN 80 Ca 0.02 -0.50 -0.01 0.00 0.21 0.00 0.00 52.86 52.58 1i21 s ASN 80 Cb -0.01 0.10 0.03 0.00 -0.55 0.00 0.00 41.25 40.81 1i21 s ASN 80 CO -0.12 -0.30 -0.03 -0.51 -2.79 0.00 0.00 177.10 173.35 1i21 s ILE 81 N -1.46 0.67 -0.09 -5.21 2.07 -1.20 -0.55 121.20 115.43 1i21 s ILE 81 Ca -0.16 -0.08 -0.13 0.00 -1.41 0.00 0.00 60.65 58.88 1i21 s ILE 81 Cb -0.10 -0.77 -0.05 0.00 0.13 0.00 0.00 42.46 41.67 1i21 s ILE 81 CO -0.01 0.29 0.31 -0.63 -1.91 0.00 0.00 174.94 172.99 1i21 s ILE 82 N 1.85 5.24 -0.25 2.00 1.09 0.11 -2.54 121.20 128.69 1i21 s ILE 82 Ca 0.05 0.60 -0.10 0.00 -1.10 0.00 0.00 60.65 60.10 1i21 s ILE 82 Cb -0.13 -3.62 -0.04 0.00 -1.06 0.00 0.00 42.46 37.61 1i21 s ILE 82 CO -0.07 0.51 0.14 -0.63 -0.10 0.00 0.00 174.94 174.80 1i21 s ILE 83 N -0.46 5.05 -0.02 2.92 -1.09 0.15 -0.33 121.20 127.41 1i21 s ILE 83 Ca 0.19 0.08 0.04 0.00 -2.23 0.00 0.00 60.65 58.73 1i21 s ILE 83 Cb -0.14 -3.37 -0.03 0.00 -1.58 0.00 0.00 42.46 37.34 1i21 s ILE 83 CO 0.08 0.32 -0.11 -0.70 -1.23 0.00 0.00 174.94 173.29 1i21 s GLU 84 N 1.39 2.47 -0.15 2.79 2.12 0.62 -4.74 118.70 123.20 1i21 s GLU 84 Ca 0.07 -0.74 -0.03 0.00 0.36 0.00 0.00 54.97 54.63 1i21 s GLU 84 Cb -0.15 -2.41 -0.02 0.00 0.26 0.00 0.00 34.13 31.81 1i21 s GLU 84 CO 0.07 0.61 -0.07 0.50 -0.54 0.00 0.00 175.26 175.82 1i21 s ARG 85 N -1.10 3.55 0.23 4.30 3.52 -1.26 -0.53 118.95 127.66 1i21 s ARG 85 Ca 0.14 -0.58 0.02 0.00 -0.13 0.00 0.00 55.73 55.18 1i21 s ARG 85 Cb -0.11 -2.83 0.02 0.00 -1.56 0.00 0.00 34.95 30.47 1i21 s ARG 85 CO 0.04 0.19 0.17 1.63 -0.81 0.00 0.00 175.30 176.52 1i21 n LYS 86 N 3.64 1.16 -0.12 5.12 5.02 0.64 -5.00 118.16 128.62 1i21 n LYS 86 Ca -0.18 -1.44 -0.16 0.00 -2.02 0.00 0.00 58.31 54.51 1i21 n LYS 86 Cb 0.52 0.16 -0.11 0.00 -0.02 0.00 0.00 35.03 35.58 1i21 n LYS 86 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1i21 n ILE 87 N -1.04 1.35 -0.82 -0.18 5.41 -1.26 -3.49 119.36 119.33 1i21 n ILE 87 Ca -0.01 -0.54 -0.30 0.00 1.00 0.00 0.00 62.75 62.90 1i21 n ILE 87 Cb 0.26 -1.27 0.19 0.00 -0.71 0.00 0.00 39.64 38.10 1i21 n ILE 87 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 1i21 s ILE 88 N -2.47 2.27 -1.38 1.39 -4.36 -1.26 -1.23 121.20 114.15 1i21 s ILE 88 Ca -0.30 0.09 -0.05 0.00 -0.26 0.00 0.00 60.65 60.12 1i21 s ILE 88 Cb 0.08 -2.28 0.03 0.00 1.25 0.00 0.00 42.46 41.54 1i21 s ILE 88 CO 0.57 -0.11 0.84 1.41 0.24 0.00 0.00 174.94 177.88 1i21 n HIS 89 N -4.35 -2.12 -3.53 1.37 8.25 -1.26 -0.67 115.22 112.91 1i21 n HIS 89 Ca 0.07 0.88 -0.20 0.00 -0.26 0.00 0.00 57.72 58.21 1i21 n HIS 89 Cb 0.54 -4.33 0.06 0.00 1.12 0.00 0.00 29.99 27.38 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 -4.45 -4.18 -3.44 -0.41 1.02 -1.23 -1.83 120.64 106.12 1i21 n GLU 90 Ca -0.17 0.71 -0.18 0.00 -0.02 0.00 0.00 57.16 57.51 1i21 n GLU 90 Cb 0.62 -5.34 0.08 0.00 -0.02 0.00 0.00 31.44 26.78 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 -3.99 -4.24 -4.74 -4.62 4.77 -0.37 -4.96 117.00 98.87 1i21 n LEU 91 Ca -0.22 -0.68 -0.29 0.00 -0.03 0.00 0.00 56.01 54.79 1i21 n LEU 91 Cb 0.65 -3.06 0.14 0.00 -2.33 0.00 0.00 43.42 38.82 1i21 n LEU 91 CO 0.64 0.32 0.68 -0.83 -1.33 0.00 0.00 177.39 176.87 1i21 s GLY 92 N -4.12 1.59 -0.12 -0.72 0.00 0.16 -4.65 107.32 99.46 1i21 s GLY 92 Ca 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 44.72 44.56 1i21 s GLY 92 CO 0.75 0.25 -0.09 1.08 0.00 0.00 0.00 173.10 175.09 1i21 s LEU 93 N -6.17 2.99 -0.08 0.66 1.43 -1.26 -0.26 118.68 115.98 1i21 s LEU 93 Ca 0.64 -0.19 0.04 0.00 -1.03 0.00 0.00 54.13 53.58 1i21 s LEU 93 Cb -0.17 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.37 1i21 s LEU 93 CO 0.56 0.22 -0.21 0.00 0.23 0.00 0.00 176.35 177.15 1i21 s GLY 95 N 0.37 2.29 -0.18 0.00 0.00 -0.69 -0.28 107.32 108.82 1i21 s GLY 95 Ca -0.16 -0.49 -0.02 0.00 0.00 0.00 0.00 44.72 44.05 1i21 s GLY 95 CO 0.07 -0.32 0.02 0.30 0.00 0.00 0.00 173.10 173.17 1i21 s HIS 96 N -1.45 1.14 0.06 1.90 3.76 0.55 -0.78 115.29 120.47 1i21 s HIS 96 Ca 0.34 -0.88 -0.28 0.00 -0.15 0.00 0.00 55.06 54.10 1i21 s HIS 96 Cb -0.13 -1.07 -0.05 0.00 1.11 0.00 0.00 32.58 32.44 1i21 s HIS 96 CO 0.20 -0.60 0.87 0.42 -0.85 0.00 0.00 174.74 174.78 1i21 s ILE 97 N 1.82 4.69 0.11 0.60 1.01 0.15 0.04 121.20 129.61 1i21 s ILE 97 Ca -0.01 1.86 -0.01 0.00 0.00 0.00 0.00 60.65 62.49 1i21 s ILE 97 Cb -0.17 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 1i21 s ILE 97 CO -0.08 0.31 0.02 -1.61 0.00 0.00 0.00 174.94 173.58 1i21 s GLU 98 N 0.19 0.83 -1.28 2.79 0.41 0.28 -4.58 118.70 117.35 1i21 s GLU 98 Ca 0.44 -1.37 -0.24 0.00 -0.41 0.00 0.00 54.97 53.38 1i21 s GLU 98 Cb -0.21 0.20 0.03 0.00 -1.78 0.00 0.00 34.13 32.37 1i21 s GLU 98 CO 0.26 -0.20 0.56 -0.25 -0.49 0.00 0.00 175.26 175.13 1i21 n ASP 99 N -0.03 -3.11 -4.73 -0.19 8.00 -1.26 -1.75 116.55 113.48 1i21 n ASP 99 Ca -0.08 -1.24 -0.40 0.00 0.71 0.00 0.00 54.79 53.78 1i21 n ASP 99 Cb 0.63 -2.00 -0.05 0.00 -0.02 0.00 0.00 41.12 39.68 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 -3.71 4.93 -0.13 0.53 1.01 -1.26 -4.02 121.20 118.55 1i21 s ILE 100 Ca 0.37 1.52 -0.09 0.00 0.00 0.00 0.00 60.65 62.45 1i21 s ILE 100 Cb -0.19 -4.07 0.04 0.00 0.01 0.00 0.00 42.46 38.26 1i21 s ILE 100 CO 0.96 0.30 0.33 0.00 0.00 0.00 0.00 174.94 176.52 1i21 s ALA 101 N 0.45 -0.81 -0.15 9.38 0.00 0.32 -4.88 121.76 126.07 1i21 s ALA 101 Ca 0.38 1.14 -0.04 0.00 0.00 0.00 0.00 51.96 53.44 1i21 s ALA 101 Cb -0.19 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 1i21 s ALA 101 CO 0.20 -0.20 -0.03 0.08 0.00 0.00 0.00 175.76 175.81 1i21 s VAL 102 N 0.89 3.99 0.38 0.00 1.01 -1.26 -1.02 120.40 124.40 1i21 s VAL 102 Ca -0.06 -0.33 -0.28 0.00 0.00 0.00 0.00 61.98 61.32 1i21 s VAL 102 Cb -0.07 -2.75 -0.11 0.00 0.00 0.00 0.00 36.38 33.46 1i21 s VAL 102 CO -0.06 0.50 1.45 -3.20 0.00 0.00 0.00 175.10 173.78 1i21 n ASN 103 N 3.38 3.55 -0.32 3.32 2.85 0.18 -4.83 115.26 123.39 1i21 n ASN 103 Ca -0.17 1.21 0.14 0.00 -0.11 0.00 0.00 54.58 55.65 1i21 n ASN 103 Cb 0.53 -1.60 0.37 0.00 1.24 0.00 0.00 39.78 40.32 1i21 n ASN 103 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1i21 h SER 104 N 2.78 0.69 -0.04 1.20 0.02 -1.90 0.15 113.55 116.44 1i21 h SER 104 Ca -0.50 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1i21 h SER 104 Cb 1.25 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1i21 h SER 104 CO 0.63 0.27 0.00 2.29 -1.14 0.00 0.00 176.83 178.88 1i21 n LYS 105 N -4.66 1.23 -0.13 3.45 2.85 -1.26 -3.42 118.16 116.22 1i21 n LYS 105 Ca 0.22 -0.35 0.06 0.00 -1.05 0.00 0.00 58.31 57.19 1i21 n LYS 105 Cb 0.59 -1.37 0.09 0.00 -0.65 0.00 0.00 35.03 33.69 1i21 n LYS 105 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1i21 n TYR 106 N -0.47 0.00 -1.20 5.58 4.02 0.50 -5.06 117.16 120.54 1i21 n TYR 106 Ca 0.17 -0.71 -0.31 0.00 -0.01 0.00 0.00 57.90 57.04 1i21 n TYR 106 Cb 0.16 -0.11 0.10 0.00 -0.02 0.00 0.00 39.34 39.47 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 -1.97 2.07 -0.68 -0.72 -0.21 -1.06 -3.47 119.66 113.62 1i21 s GLN 107 Ca 0.20 1.27 0.00 0.00 0.02 0.00 0.00 55.36 56.85 1i21 s GLN 107 Cb 0.18 -1.87 0.00 0.00 1.00 0.00 0.00 33.01 32.32 1i21 s GLN 107 CO 0.02 -1.80 0.00 0.41 -2.12 0.00 0.00 175.29 171.80 1i21 n GLY 108 N -0.87 0.75 0.66 3.09 0.00 -1.26 -4.86 105.19 102.70 1i21 n GLY 108 Ca 0.10 -0.16 0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.30 1.65 -0.66 1.61 6.02 -1.23 -4.97 117.38 118.51 1i21 n GLN 109 Ca -0.06 -1.41 0.00 0.00 -0.01 0.00 0.00 57.00 55.52 1i21 n GLN 109 Cb 0.40 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 30.29 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 1.15 0.66 0.25 1.08 0.00 -1.26 -4.95 105.19 102.12 1i21 n GLY 110 Ca 0.10 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.93 -0.52 0.99 3.38 -1.93 -2.83 115.31 115.33 1i21 h LEU 111 Ca 0.00 -0.45 0.10 0.00 0.09 0.00 0.00 57.88 57.62 1i21 h LEU 111 Cb 0.00 -0.26 -0.09 0.00 0.09 0.00 0.00 40.66 40.40 1i21 h LEU 111 CO 0.00 1.24 -0.00 1.23 0.09 0.00 0.00 178.44 180.99 1i21 h GLY 112 N 0.80 0.53 1.33 0.83 0.00 -1.92 0.25 103.07 104.89 1i21 h GLY 112 Ca 0.04 0.07 -0.11 0.00 0.00 0.00 0.00 47.33 47.33 1i21 h GLY 112 CO 0.10 -0.15 -0.17 1.70 0.00 0.00 0.00 176.54 178.02 1i21 h LYS 113 N 0.12 0.78 -0.52 4.80 3.64 -1.98 -1.10 116.57 122.30 1i21 h LYS 113 Ca 0.26 -0.29 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 1i21 h LYS 113 Cb 0.40 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1i21 h LYS 113 CO -0.44 0.90 -0.05 -0.07 -2.27 0.00 0.00 179.45 177.52 1i21 h LEU 114 N 0.69 0.91 -0.09 5.20 3.38 -0.97 -0.53 115.31 123.90 1i21 h LEU 114 Ca 0.10 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1i21 h LEU 114 Cb 0.67 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1i21 h LEU 114 CO 0.05 1.00 0.04 0.25 0.09 0.00 0.00 178.44 179.87 1i21 h LEU 115 N 0.85 0.12 -0.00 1.67 5.85 -0.28 -2.26 115.31 121.24 1i21 h LEU 115 Ca 0.15 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1i21 h LEU 115 Cb 0.57 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1i21 h LEU 115 CO 0.03 0.22 -0.05 0.40 -0.34 0.00 0.00 178.44 178.70 1i21 h ILE 116 N 0.01 0.88 -0.90 4.05 1.08 -0.99 -1.83 117.51 119.81 1i21 h ILE 116 Ca 0.03 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.67 1i21 h ILE 116 Cb 0.13 0.88 -0.10 0.00 -3.07 0.00 0.00 36.82 34.66 1i21 h ILE 116 CO -0.00 0.00 0.48 0.44 -0.69 0.00 0.00 178.15 178.38 1i21 h ASP 117 N -0.08 0.57 -0.16 1.72 3.32 -0.99 -0.97 116.42 119.82 1i21 h ASP 117 Ca 0.02 0.10 -0.11 0.00 0.02 0.00 0.00 57.03 57.07 1i21 h ASP 117 Cb 0.11 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1i21 h ASP 117 CO -0.05 0.21 -0.25 -0.61 -1.72 0.00 0.00 179.24 176.82 1i21 h GLN 118 N 0.63 0.62 -0.38 3.56 5.75 -0.75 -1.52 115.11 123.03 1i21 h GLN 118 Ca 0.51 -0.25 -0.08 0.00 -0.15 0.00 0.00 58.65 58.68 1i21 h GLN 118 Cb 0.78 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.29 1i21 h GLN 118 CO -0.39 0.82 -0.09 -0.07 -2.65 0.00 0.00 178.83 176.45 1i21 h LEU 119 N 0.55 0.74 -0.78 -2.39 3.38 -0.44 -0.47 115.31 115.90 1i21 h LEU 119 Ca 0.08 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.70 1i21 h LEU 119 Cb 0.72 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1i21 h LEU 119 CO 0.05 0.93 0.51 0.58 0.09 0.00 0.00 178.44 180.60 1i21 h VAL 120 N 0.54 1.17 -0.44 1.22 2.07 -1.15 0.95 116.25 120.61 1i21 h VAL 120 Ca 0.10 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 1i21 h VAL 120 Cb 0.60 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1i21 h VAL 120 CO 0.04 0.19 0.07 0.74 0.02 0.00 0.00 177.57 178.63 1i21 h THR 121 N 1.02 1.24 -0.12 2.57 2.02 -0.97 0.22 112.91 118.90 1i21 h THR 121 Ca 0.30 -0.89 0.02 0.00 0.77 0.00 0.00 66.41 66.61 1i21 h THR 121 Cb -0.07 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1i21 h THR 121 CO -0.08 0.31 -0.02 0.40 0.37 0.00 0.00 175.52 176.50 1i21 h ILE 122 N 0.59 0.90 -0.41 3.11 2.04 -0.32 -0.42 117.51 123.01 1i21 h ILE 122 Ca 0.13 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.96 1i21 h ILE 122 Cb 0.38 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 1i21 h ILE 122 CO 0.01 0.00 0.15 1.23 0.00 0.00 0.00 178.15 179.55 1i21 h GLY 123 N 0.02 0.67 1.95 5.37 0.00 -0.59 -2.70 103.07 107.78 1i21 h GLY 123 Ca 0.05 -0.37 -0.09 0.00 0.00 0.00 0.00 47.33 46.92 1i21 h GLY 123 CO -0.11 0.35 -0.41 0.74 0.00 0.00 0.00 176.54 177.11 1i21 h PHE 124 N 0.52 0.06 -0.10 5.60 0.04 -0.82 -2.28 116.94 119.96 1i21 h PHE 124 Ca 0.14 -0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.79 1i21 h PHE 124 Cb 0.21 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 1i21 h PHE 124 CO 0.00 0.46 -0.41 -0.44 -0.60 0.00 0.00 178.31 177.33 1i21 h ASP 125 N 0.04 0.22 0.60 2.17 3.32 -0.90 -2.20 116.42 119.68 1i21 h ASP 125 Ca 0.00 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 1i21 h ASP 125 Cb 0.75 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 1i21 h ASP 125 CO 0.06 0.61 -0.34 1.88 -1.72 0.00 0.00 179.24 179.72 1i21 h TYR 126 N 0.18 0.00 0.00 4.55 0.05 -1.15 -3.47 116.97 117.13 1i21 h TYR 126 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1i21 h TYR 126 Cb 0.80 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.54 1i21 h TYR 126 CO 0.01 0.34 0.00 0.41 -1.05 0.00 0.00 178.16 177.87 1i21 n GLY 127 N -0.14 1.59 3.76 3.88 0.00 -0.83 -5.07 105.19 108.39 1i21 n GLY 127 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 1.54 0.00 -3.65 0.00 0.18 -0.54 -4.74 117.16 109.95 1i21 n TYR 129 Ca 0.06 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.81 1i21 n TYR 129 Cb 0.38 -0.23 -0.01 0.00 -0.38 0.00 0.00 39.34 39.09 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 -2.63 0.80 -0.07 -3.48 -2.85 -1.26 -5.11 119.74 105.14 1i21 s LYS 130 Ca 0.24 -0.40 -0.03 0.00 -1.00 0.00 0.00 55.97 54.77 1i21 s LYS 130 Cb 0.19 0.30 0.04 0.00 -2.06 0.00 0.00 37.83 36.30 1i21 s LYS 130 CO 0.52 -0.36 0.17 0.42 0.10 0.00 0.00 175.35 176.19 1i21 s ILE 131 N -2.92 -0.06 0.22 3.79 1.01 -1.26 -1.71 121.20 120.27 1i21 s ILE 131 Ca 0.11 0.18 0.07 0.00 0.00 0.00 0.00 60.65 61.01 1i21 s ILE 131 Cb 0.00 -0.27 -0.05 0.00 0.01 0.00 0.00 42.46 42.15 1i21 s ILE 131 CO -0.02 0.07 -0.10 0.27 0.00 0.00 0.00 174.94 175.16 1i21 s ILE 132 N 1.25 1.58 0.24 2.92 -4.36 0.04 -4.95 121.20 117.92 1i21 s ILE 132 Ca -0.09 -2.15 -0.21 0.00 -0.26 0.00 0.00 60.65 57.94 1i21 s ILE 132 Cb -0.11 -2.17 0.03 0.00 1.25 0.00 0.00 42.46 41.45 1i21 s ILE 132 CO -0.07 -0.50 0.65 -1.48 0.24 0.00 0.00 174.94 173.79 1i21 s LEU 133 N -3.34 -0.27 0.11 0.37 -0.00 -1.26 -0.67 118.68 113.62 1i21 s LEU 133 Ca 0.25 -0.45 0.11 0.00 -0.00 0.00 0.00 54.13 54.03 1i21 s LEU 133 Cb 0.02 2.58 -0.04 0.00 -0.00 0.00 0.00 46.19 48.75 1i21 s LEU 133 CO 0.08 -1.20 -0.27 -1.81 -0.00 0.00 0.00 176.35 173.15 1i21 s ASP 134 N -2.87 3.29 0.33 1.48 1.01 -1.26 -5.05 116.67 113.60 1i21 s ASP 134 Ca 0.09 -0.72 -0.12 0.00 0.71 0.00 0.00 52.55 52.50 1i21 s ASP 134 Cb -0.04 -0.23 0.02 0.00 1.01 0.00 0.00 42.92 43.68 1i21 s ASP 134 CO 0.01 0.20 0.63 0.00 0.21 0.00 0.00 175.17 176.21 1i21 s ASP 136 N -3.08 6.21 0.25 0.00 -1.08 -1.26 -4.97 116.67 112.73 1i21 s ASP 136 Ca 0.20 1.04 -0.05 0.00 -0.52 0.00 0.00 52.55 53.22 1i21 s ASP 136 Cb -0.03 -2.27 0.27 0.00 -1.46 0.00 0.00 42.92 39.43 1i21 s ASP 136 CO 0.13 -0.68 1.85 -0.08 0.52 0.00 0.00 175.17 176.90 1i21 h GLU 137 N 0.06 1.15 -0.95 4.34 4.22 -2.01 -1.83 114.58 119.56 1i21 h GLU 137 Ca -0.46 -0.16 0.25 0.00 0.08 0.00 0.00 59.36 59.07 1i21 h GLU 137 Cb 1.20 -0.21 -0.06 0.00 0.50 0.00 0.00 28.75 30.19 1i21 h GLU 137 CO 0.62 0.87 0.65 0.87 -2.18 0.00 0.00 179.01 179.84 1i21 h LYS 138 N 1.14 0.18 -0.30 1.92 1.57 -2.06 -1.14 116.57 117.88 1i21 h LYS 138 Ca 0.28 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1i21 h LYS 138 Cb 0.10 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1i21 h LYS 138 CO -0.04 0.12 0.00 0.09 -0.57 0.00 0.00 179.45 179.05 1i21 n ASN 139 N -4.39 3.19 -0.14 0.86 3.02 -0.70 -4.42 115.26 112.68 1i21 n ASN 139 Ca 0.20 -1.96 -0.04 0.00 -0.03 0.00 0.00 54.58 52.76 1i21 n ASN 139 Cb 0.89 -0.19 0.04 0.00 -0.61 0.00 0.00 39.78 39.92 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 4.29 0.71 -0.30 2.41 2.07 -1.04 -1.91 116.25 122.47 1i21 h VAL 140 Ca 0.00 -0.06 0.06 0.00 0.82 0.00 0.00 66.70 67.53 1i21 h VAL 140 Cb 0.94 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 1i21 h VAL 140 CO 0.00 0.03 -0.09 0.11 0.02 0.00 0.00 177.57 177.64 1i21 h LYS 141 N 0.16 -0.02 -0.61 1.57 1.79 -1.78 0.19 116.57 117.87 1i21 h LYS 141 Ca 0.22 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.76 1i21 h LYS 141 Cb 0.30 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 30.90 1i21 h LYS 141 CO -0.33 -0.02 0.29 0.35 -1.08 0.00 0.00 179.45 178.67 1i21 h PHE 142 N -0.03 0.52 0.00 -1.35 3.57 -1.69 -1.33 116.94 116.64 1i21 h PHE 142 Ca 0.15 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.58 1i21 h PHE 142 Cb 0.25 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1i21 h PHE 142 CO -0.30 0.21 -0.45 1.88 -2.23 0.00 0.00 178.31 177.42 1i21 h TYR 143 N 0.53 0.00 -0.44 0.41 -1.99 -0.55 -2.27 116.97 112.67 1i21 h TYR 143 Ca 0.29 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.95 1i21 h TYR 143 Cb 0.25 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.96 1i21 h TYR 143 CO -0.12 0.45 -0.00 0.93 -0.00 0.00 0.00 178.16 179.42 1i21 h GLU 144 N 0.00 0.71 0.00 4.88 5.08 0.23 -0.50 114.58 124.98 1i21 h GLU 144 Ca -0.00 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.10 1i21 h GLU 144 Cb 1.02 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1i21 h GLU 144 CO 0.06 0.73 -0.37 0.87 -1.00 0.00 0.00 179.01 179.29 1i21 h LYS 145 N 0.67 0.00 -0.09 2.33 1.57 -0.72 -1.90 116.57 118.43 1i21 h LYS 145 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1i21 h LYS 145 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1i21 h LYS 145 CO 0.02 0.37 0.00 0.00 -0.57 0.00 0.00 179.45 179.27 1i21 n GLY 147 N 0.73 0.71 3.95 0.00 0.00 -0.71 -4.93 105.19 104.94 1i21 n GLY 147 Ca 0.07 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 3.48 0.10 1.61 0.40 -0.25 -5.00 117.98 116.31 1i21 s PHE 148 Ca 0.00 0.21 0.05 0.00 -0.60 0.00 0.00 56.93 56.59 1i21 s PHE 148 Cb 0.00 -1.77 -0.03 0.00 0.51 0.00 0.00 43.02 41.72 1i21 s PHE 148 CO 0.00 0.24 -0.12 -1.54 0.70 0.00 0.00 175.22 174.50 1i21 s SER 149 N -4.02 1.66 0.24 1.36 1.04 -1.26 -3.89 113.70 108.83 1i21 s SER 149 Ca 0.38 -0.77 -0.31 0.00 0.48 0.00 0.00 55.95 55.73 1i21 s SER 149 Cb -0.09 -0.03 -0.12 0.00 0.10 0.00 0.00 66.02 65.87 1i21 s SER 149 CO 0.33 -0.19 1.59 -3.20 0.98 0.00 0.00 173.24 172.76 1i21 n ASN 150 N 0.71 3.57 0.00 7.02 2.85 -1.26 -4.90 115.26 123.25 1i21 n ASN 150 Ca -0.17 1.11 0.00 0.00 -0.11 0.00 0.00 54.58 55.41 1i21 n ASN 150 Cb 0.57 -1.53 0.00 0.00 1.24 0.00 0.00 39.78 40.06 1i21 n ASN 150 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1i21 n ALA 151 N 2.77 0.99 0.00 5.20 0.00 -1.26 -5.14 120.51 123.07 1i21 n ALA 151 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1i21 n ALA 151 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 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 0.51 -0.89 3.31 0.00 0.00 -1.26 -5.13 105.19 101.72 1i21 n GLY 152 Ca 0.00 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 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 2.21 0.72 1.61 1.01 -1.26 -5.12 120.40 116.57 1i21 s VAL 153 Ca 0.00 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 1i21 s VAL 153 Cb 0.00 -1.80 0.12 0.00 0.00 0.00 0.00 36.38 34.70 1i21 s VAL 153 CO 0.00 0.57 1.00 -0.70 0.00 0.00 0.00 175.10 175.97 1i21 s GLU 154 N -0.33 1.69 0.00 2.72 2.12 -1.26 -5.21 118.70 118.42 1i21 s GLU 154 Ca 0.02 -1.03 0.00 0.00 0.36 0.00 0.00 54.97 54.31 1i21 s GLU 154 Cb -0.12 -2.31 0.00 0.00 0.26 0.00 0.00 34.13 31.96 1i21 s GLU 154 CO 0.02 -1.45 0.00 0.00 -0.54 0.00 0.00 175.26 173.29 1i21 n GLN 156 N -2.86 0.00 -3.77 4.30 10.64 -1.26 -5.15 117.38 119.28 1i21 n GLN 156 Ca 0.14 0.00 -0.13 0.00 -1.83 0.00 0.00 57.00 55.18 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 -0.04 -1.32 -0.39 2.07 -1.26 -5.40 121.20 112.86 1i21 s ILE 157 Ca 0.00 0.13 0.11 0.00 -1.41 0.00 0.00 60.65 59.48 1i21 s ILE 157 Cb 0.00 -0.22 0.08 0.00 0.13 0.00 0.00 42.46 42.45 1i21 s ILE 157 CO 0.00 0.06 0.83 0.54 -1.91 0.00 0.00 174.94 174.46