#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i21 s PHE 7 N 0.00 3.11 0.33 1.61 0.40 -1.25 -4.22 117.98 117.97 1i21 s PHE 7 Ca 0.00 0.05 0.10 0.00 -0.60 0.00 0.00 56.93 56.48 1i21 s PHE 7 Cb 0.00 -1.84 -0.06 0.00 0.51 0.00 0.00 43.02 41.63 1i21 s PHE 7 CO 0.00 0.31 -0.09 1.52 0.70 0.00 0.00 175.22 177.65 1i21 s TYR 8 N -0.47 2.41 -0.13 0.36 -0.85 -1.11 -4.88 117.35 112.68 1i21 s TYR 8 Ca 0.08 -0.45 0.02 0.00 -0.52 0.00 0.00 57.07 56.20 1i21 s TYR 8 Cb -0.12 -1.33 0.00 0.00 0.38 0.00 0.00 41.96 40.89 1i21 s TYR 8 CO 0.02 0.59 -0.20 -1.50 -1.52 0.00 0.00 175.55 172.94 1i21 s ILE 9 N -2.57 2.31 0.33 -3.49 2.07 -1.26 0.61 121.20 119.19 1i21 s ILE 9 Ca 0.32 -0.91 0.06 0.00 -1.41 0.00 0.00 60.65 58.71 1i21 s ILE 9 Cb 0.01 -1.93 -0.03 0.00 0.13 0.00 0.00 42.46 40.63 1i21 s ILE 9 CO 0.17 0.54 0.24 0.00 -1.91 0.00 0.00 174.94 173.98 1i21 s ARG 10 N 0.63 1.71 0.00 3.50 1.70 -0.96 -4.98 118.95 120.54 1i21 s ARG 10 Ca -0.11 -1.99 0.00 0.00 -0.47 0.00 0.00 55.73 53.16 1i21 s ARG 10 Cb -0.16 0.18 0.00 0.00 -0.57 0.00 0.00 34.95 34.40 1i21 s ARG 10 CO 0.03 -0.59 0.00 -2.13 -1.08 0.00 0.00 175.30 171.52 1i21 n ARG 11 N -0.62 0.00 -3.60 3.89 0.63 -1.26 -2.05 116.66 113.65 1i21 n ARG 11 Ca 0.05 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.95 1i21 n ARG 11 Cb 0.63 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.53 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 1.00 0.42 0.50 -0.14 2.02 -1.26 -4.87 118.70 116.36 1i21 s GLU 13 Ca 0.00 -0.19 0.35 0.00 0.02 0.00 0.00 54.97 55.16 1i21 s GLU 13 Cb 0.00 0.17 1.50 0.00 0.10 0.00 0.00 34.13 35.90 1i21 s GLU 13 CO 0.00 -0.19 1.70 0.93 0.02 0.00 0.00 175.26 177.73 1i21 h GLU 14 N 2.00 0.08 -0.00 1.61 5.08 -1.95 0.17 114.58 121.56 1i21 h GLU 14 Ca -0.18 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1i21 h GLU 14 Cb 1.19 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1i21 h GLU 14 CO 0.25 0.05 -0.22 0.41 -1.00 0.00 0.00 179.01 178.51 1i21 n GLY 15 N -1.70 -0.96 0.00 -3.84 0.00 -1.26 -3.80 105.19 93.63 1i21 n GLY 15 Ca 0.33 -0.31 0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.02 0.00 -0.00 1.61 8.00 0.58 -4.38 116.55 121.33 1i21 n ASP 16 Ca 0.11 -0.78 -0.00 0.00 0.71 0.00 0.00 54.79 54.83 1i21 n ASP 16 Cb 0.31 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.41 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 -0.99 -0.00 -0.00 0.64 7.94 -1.25 0.03 117.00 123.36 1i21 n LEU 17 Ca 0.18 0.98 -0.10 0.00 -1.11 0.00 0.00 56.01 55.96 1i21 n LEU 17 Cb 0.08 -0.49 -0.05 0.00 0.53 0.00 0.00 43.42 43.50 1i21 n LEU 17 CO 0.14 -0.49 0.87 -0.33 -1.11 0.00 0.00 177.39 176.46 1i21 h GLU 18 N 0.00 0.04 -0.51 1.96 5.08 -1.93 -1.57 114.58 117.66 1i21 h GLU 18 Ca 0.00 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1i21 h GLU 18 Cb 0.00 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1i21 h GLU 18 CO -0.00 0.03 0.24 1.96 -1.00 0.00 0.00 179.01 180.24 1i21 h GLN 19 N 0.04 0.71 0.04 2.33 4.20 -1.75 -2.36 115.11 118.32 1i21 h GLN 19 Ca 0.05 -0.08 -0.23 0.00 0.06 0.00 0.00 58.65 58.45 1i21 h GLN 19 Cb 0.05 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1i21 h GLN 19 CO -0.08 0.55 -1.02 -0.24 -0.67 0.00 0.00 178.83 177.38 1i21 h VAL 20 N 0.71 1.50 -0.61 -0.54 3.04 -0.23 -3.00 116.25 117.13 1i21 h VAL 20 Ca 0.18 -2.82 -0.00 0.00 -1.01 0.00 0.00 66.70 63.05 1i21 h VAL 20 Cb 0.08 2.65 -0.03 0.00 -2.01 0.00 0.00 31.29 31.98 1i21 h VAL 20 CO -0.02 0.82 0.37 0.74 -1.01 0.00 0.00 177.57 178.47 1i21 h THR 21 N 0.11 1.18 -0.01 3.17 2.02 -0.99 0.94 112.91 119.32 1i21 h THR 21 Ca -0.07 -0.38 -0.05 0.00 0.77 0.00 0.00 66.41 66.67 1i21 h THR 21 Cb 1.69 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 1i21 h THR 21 CO 0.16 0.18 -0.25 -0.08 0.37 0.00 0.00 175.52 175.90 1i21 h GLU 22 N 0.82 0.01 -0.03 6.66 4.81 -1.46 -1.44 114.58 123.96 1i21 h GLU 22 Ca 0.22 -0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.23 1i21 h GLU 22 Cb -0.03 -0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.36 1i21 h GLU 22 CO -0.04 0.26 -0.80 1.15 -0.73 0.00 0.00 179.01 178.85 1i21 h THR 23 N 0.01 1.34 -0.02 0.32 2.02 -1.11 -3.27 112.91 112.20 1i21 h THR 23 Ca 0.00 -2.12 -0.14 0.00 0.77 0.00 0.00 66.41 64.92 1i21 h THR 23 Cb 0.45 2.40 -0.02 0.00 -1.74 0.00 0.00 68.15 69.24 1i21 h THR 23 CO 0.03 0.64 -0.64 -0.07 0.37 0.00 0.00 175.52 175.85 1i21 h LEU 24 N 0.20 0.11 -1.50 2.58 3.38 -0.73 -3.07 115.31 116.29 1i21 h LEU 24 Ca -0.09 -0.07 0.13 0.00 0.09 0.00 0.00 57.88 57.94 1i21 h LEU 24 Cb 1.48 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.18 1i21 h LEU 24 CO 0.16 0.72 0.71 0.11 0.09 0.00 0.00 178.44 180.23 1i21 h LYS 25 N 0.07 0.00 -0.05 1.13 1.79 -1.31 0.88 116.57 119.08 1i21 h LYS 25 Ca -0.01 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.31 1i21 h LYS 25 Cb 1.15 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.78 1i21 h LYS 25 CO 0.09 0.00 -0.66 0.28 -1.08 0.00 0.00 179.45 178.08 1i21 h VAL 26 N 0.00 1.42 0.00 0.50 2.07 -1.70 -3.36 116.25 115.18 1i21 h VAL 26 Ca 0.22 -2.12 -0.00 0.00 0.82 0.00 0.00 66.70 65.62 1i21 h VAL 26 Cb 1.63 2.11 -0.00 0.00 -1.52 0.00 0.00 31.29 33.50 1i21 h VAL 26 CO -0.00 0.62 -0.08 0.25 0.02 0.00 0.00 177.57 178.38 1i21 h LEU 27 N 0.14 0.00 0.00 2.57 6.46 0.59 -3.50 115.31 121.57 1i21 h LEU 27 Ca -0.01 -0.10 -0.08 0.00 -0.12 0.00 0.00 57.88 57.57 1i21 h LEU 27 Cb 1.18 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.09 1i21 h LEU 27 CO 0.10 0.59 0.03 1.07 -0.62 0.00 0.00 178.44 179.61 1i21 n THR 28 N -4.74 0.00 -1.68 1.05 5.66 -1.05 -5.13 114.28 108.40 1i21 n THR 28 Ca -0.02 -0.74 -0.45 0.00 -3.05 0.00 0.00 64.05 59.79 1i21 n THR 28 Cb 0.09 0.56 -0.04 0.00 -1.55 0.00 0.00 70.33 69.38 1i21 n THR 28 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1i21 n THR 29 N -0.30 0.13 -0.09 1.09 -1.04 -1.26 -4.15 114.28 108.66 1i21 n THR 29 Ca -0.02 -0.02 -0.16 0.00 -2.04 0.00 0.00 64.05 61.81 1i21 n THR 29 Cb 0.31 -1.73 -0.05 0.00 -1.82 0.00 0.00 70.33 67.04 1i21 n THR 29 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1i21 n VAL 30 N 3.91 1.40 -1.11 12.58 0.31 -1.26 -5.01 118.33 129.15 1i21 n VAL 30 Ca 0.18 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1i21 n VAL 30 Cb 0.31 -2.06 0.00 0.00 -0.91 0.00 0.00 33.84 31.18 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 1.63 -1.80 3.43 2.92 0.00 -1.26 -4.81 105.19 105.29 1i21 n GLY 31 Ca -0.28 -1.84 -0.44 0.00 0.00 0.00 0.00 46.02 43.46 1i21 n GLY 31 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1i21 s THR 32 N 0.00 4.84 -0.18 2.61 -1.32 -1.26 -5.02 115.64 115.32 1i21 s THR 32 Ca 0.00 -0.62 0.01 0.00 -1.21 0.00 0.00 61.69 59.87 1i21 s THR 32 Cb 0.00 -4.36 0.02 0.00 -1.51 0.00 0.00 72.50 66.65 1i21 s THR 32 CO 0.00 -0.91 -0.20 0.27 -2.21 0.00 0.00 174.62 171.57 1i21 s ILE 33 N 2.69 2.06 0.42 5.08 -4.36 -1.26 -5.12 121.20 120.71 1i21 s ILE 33 Ca 0.14 -0.94 -0.25 0.00 -0.26 0.00 0.00 60.65 59.35 1i21 s ILE 33 Cb -0.20 -1.86 -0.08 0.00 1.25 0.00 0.00 42.46 41.57 1i21 s ILE 33 CO 0.10 0.54 1.18 -0.89 0.24 0.00 0.00 174.94 176.11 1i21 s THR 34 N 1.25 3.10 0.28 8.37 2.01 -1.26 -4.88 115.64 124.50 1i21 s THR 34 Ca 0.04 0.90 -0.03 0.00 0.31 0.00 0.00 61.69 62.91 1i21 s THR 34 Cb -0.13 -3.49 0.21 0.00 0.01 0.00 0.00 72.50 69.10 1i21 s THR 34 CO -0.12 0.06 1.89 1.55 -0.69 0.00 0.00 174.62 177.31 1i21 h PRO 35 N 2.49 1.03 0.22 4.92 0.13 -1.99 0.15 132.00 138.95 1i21 h PRO 35 Ca -0.49 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 1i21 h PRO 35 Cb 1.24 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 1i21 h PRO 35 CO 0.62 0.77 -0.23 0.93 -0.23 0.00 0.00 178.00 179.87 1i21 h GLU 36 N 1.03 -0.46 -0.26 0.86 5.08 -2.00 -1.07 114.58 117.77 1i21 h GLU 36 Ca 0.26 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.66 1i21 h GLU 36 Cb 0.06 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1i21 h GLU 36 CO -0.04 -0.31 0.15 0.77 -1.00 0.00 0.00 179.01 178.58 1i21 h SER 37 N -0.48 0.25 -0.48 1.42 0.02 -1.83 -2.74 113.55 109.71 1i21 h SER 37 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1i21 h SER 37 Cb 0.45 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 1i21 h SER 37 CO -0.05 0.18 0.31 0.15 -1.14 0.00 0.00 176.83 176.28 1i21 h PHE 38 N 0.31 0.62 -0.03 3.45 3.57 -0.52 -1.48 116.94 122.86 1i21 h PHE 38 Ca 0.10 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.48 1i21 h PHE 38 Cb -0.01 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 1i21 h PHE 38 CO -0.07 0.40 -0.59 0.00 -2.23 0.00 0.00 178.31 175.82 1i21 h LYS 40 N 0.08 0.70 -0.60 0.00 1.57 -1.01 -1.44 116.57 115.86 1i21 h LYS 40 Ca -0.01 -0.16 0.05 0.00 -1.87 0.00 0.00 60.65 58.66 1i21 h LYS 40 Cb 1.06 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 33.23 1i21 h LYS 40 CO 0.08 0.69 0.33 1.25 -0.57 0.00 0.00 179.45 181.24 1i21 h LEU 41 N 0.58 0.49 -0.95 2.94 5.85 -1.06 -0.89 115.31 122.27 1i21 h LEU 41 Ca 0.14 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 1i21 h LEU 41 Cb 0.30 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1i21 h LEU 41 CO -0.00 0.33 -0.24 0.40 -0.34 0.00 0.00 178.44 178.59 1i21 h ILE 42 N 0.62 1.26 0.15 4.05 1.08 -1.13 -0.36 117.51 123.19 1i21 h ILE 42 Ca 0.27 -1.25 -0.01 0.00 -0.39 0.00 0.00 64.86 63.48 1i21 h ILE 42 Cb 0.15 1.33 0.00 0.00 -3.07 0.00 0.00 36.82 35.23 1i21 h ILE 42 CO -0.16 0.40 -0.07 0.50 -0.69 0.00 0.00 178.15 178.12 1i21 h LYS 43 N 0.43 -0.19 -0.14 2.37 3.64 -0.50 -1.02 116.57 121.16 1i21 h LYS 43 Ca 0.06 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1i21 h LYS 43 Cb 0.65 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.47 1i21 h LYS 43 CO 0.05 0.01 -0.12 -0.92 -2.27 0.00 0.00 179.45 176.20 1i21 h TYR 44 N -0.36 -0.29 0.00 1.91 3.20 -1.01 0.78 116.97 121.19 1i21 h TYR 44 Ca -0.02 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 1i21 h TYR 44 Cb 0.29 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.71 1i21 h TYR 44 CO -0.02 -0.18 -0.00 -1.49 -1.64 0.00 0.00 178.16 174.83 1i21 h TRP 45 N -0.13 0.00 0.00 -3.82 4.06 -0.93 -0.83 115.95 114.29 1i21 h TRP 45 Ca 0.09 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.04 1i21 h TRP 45 Cb 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.43 1i21 h TRP 45 CO -0.25 0.00 -0.81 0.09 -3.56 0.00 0.00 178.44 173.92 1i21 n ASN 46 N -3.16 0.73 -0.10 -3.49 3.02 0.05 -4.46 115.26 107.85 1i21 n ASN 46 Ca -0.03 -0.57 -0.13 0.00 -0.03 0.00 0.00 54.58 53.82 1i21 n ASN 46 Cb 0.10 0.67 -0.10 0.00 -0.61 0.00 0.00 39.78 39.84 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 -1.57 0.70 -1.67 3.52 4.71 0.04 -4.98 120.64 121.39 1i21 n GLU 47 Ca 0.04 0.09 -0.42 0.00 -0.01 0.00 0.00 57.16 56.86 1i21 n GLU 47 Cb 0.35 -1.42 -0.03 0.00 -1.01 0.00 0.00 31.44 29.33 1i21 n GLU 47 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1i21 n ALA 48 N -2.99 1.78 -2.53 0.62 0.00 -0.50 -4.98 120.51 111.90 1i21 n ALA 48 Ca -0.34 0.25 -0.24 0.00 0.00 0.00 0.00 53.44 53.11 1i21 n ALA 48 Cb 0.92 -2.65 -0.13 0.00 0.00 0.00 0.00 19.45 17.59 1i21 n ALA 48 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1i21 s THR 49 N 3.82 1.61 -0.28 0.00 -1.32 -1.26 -2.59 115.64 115.63 1i21 s THR 49 Ca 0.87 -1.34 -0.13 0.00 -1.21 0.00 0.00 61.69 59.87 1i21 s THR 49 Cb -0.46 -1.44 -0.04 0.00 -1.51 0.00 0.00 72.50 69.05 1i21 s THR 49 CO 0.41 0.05 0.29 -0.69 -2.21 0.00 0.00 174.62 172.47 1i21 s VAL 50 N -0.99 5.23 0.35 5.08 1.01 0.97 -4.77 120.40 127.28 1i21 s VAL 50 Ca 0.06 0.34 -0.28 0.00 0.00 0.00 0.00 61.98 62.10 1i21 s VAL 50 Cb -0.09 -3.64 -0.12 0.00 0.00 0.00 0.00 36.38 32.53 1i21 s VAL 50 CO 0.03 0.17 1.33 1.87 0.00 0.00 0.00 175.10 178.50 1i21 n TRP 51 N 5.22 2.44 -3.75 5.22 -0.00 -1.26 -4.51 117.44 120.80 1i21 n TRP 51 Ca -0.11 0.53 -0.10 0.00 -0.00 0.00 0.00 57.50 57.82 1i21 n TRP 51 Cb 0.51 -2.44 -0.06 0.00 -0.00 0.00 0.00 31.31 29.32 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 -0.28 -0.07 0.28 5.87 2.20 -1.26 -5.04 114.94 116.65 1i21 s ASN 52 Ca 0.55 -0.39 0.14 0.00 -0.94 0.00 0.00 52.86 52.22 1i21 s ASN 52 Cb -0.54 0.39 0.30 0.00 -2.00 0.00 0.00 41.25 39.39 1i21 s ASN 52 CO 0.62 -0.73 1.55 0.44 -2.94 0.00 0.00 177.10 176.05 1i21 h ASP 53 N 2.80 0.00 -3.22 3.54 3.32 -1.97 -3.47 116.42 117.41 1i21 h ASP 53 Ca -0.33 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.15 1i21 h ASP 53 Cb 1.22 0.00 0.18 0.00 0.22 0.00 0.00 39.33 40.95 1i21 h ASP 53 CO 0.50 0.57 -0.36 0.59 -1.72 0.00 0.00 179.24 178.82 1i21 n ASN 54 N -3.47 -1.04 -0.26 6.45 3.02 -1.26 -4.91 115.26 113.79 1i21 n ASN 54 Ca 0.00 0.62 -0.06 0.00 -0.03 0.00 0.00 54.58 55.11 1i21 n ASN 54 Cb 0.67 -1.22 0.05 0.00 -0.61 0.00 0.00 39.78 38.66 1i21 n ASN 54 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1i21 h GLU 55 N -0.28 0.98 -0.94 3.52 4.39 -2.07 -3.40 114.58 116.77 1i21 h GLU 55 Ca -0.46 -0.11 -0.29 0.00 0.34 0.00 0.00 59.36 58.85 1i21 h GLU 55 Cb 1.35 -0.20 -0.21 0.00 -0.10 0.00 0.00 28.75 29.60 1i21 h GLU 55 CO 0.43 0.72 -0.64 -3.47 -1.16 0.00 0.00 179.01 174.89 1i21 n ASP 56 N -4.51 -2.36 -3.86 1.42 2.03 -1.26 -5.11 116.55 102.90 1i21 n ASP 56 Ca 0.06 -2.96 -0.20 0.00 0.52 0.00 0.00 54.79 52.20 1i21 n ASP 56 Cb 0.08 1.15 -0.17 0.00 -0.72 0.00 0.00 41.12 41.46 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 0.41 0.77 -0.17 -0.67 2.20 -1.26 -5.13 119.74 115.89 1i21 s LYS 57 Ca 0.32 -0.06 -0.09 0.00 -0.36 0.00 0.00 55.97 55.78 1i21 s LYS 57 Cb 0.12 -0.86 -0.05 0.00 -1.51 0.00 0.00 37.83 35.53 1i21 s LYS 57 CO -0.15 -0.13 0.15 0.21 -0.36 0.00 0.00 175.35 175.06 1i21 s LYS 58 N 1.15 3.97 0.02 4.03 2.20 -1.26 -4.91 119.74 124.94 1i21 s LYS 58 Ca -0.08 -0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.37 1i21 s LYS 58 Cb -0.14 -3.35 -0.00 0.00 -1.51 0.00 0.00 37.83 32.83 1i21 s LYS 58 CO -0.01 0.44 0.01 -0.89 -0.36 0.00 0.00 175.35 174.53 1i21 n ILE 59 N 3.05 0.00 0.00 5.43 5.41 -1.26 -5.06 119.36 126.93 1i21 n ILE 59 Ca -0.17 -0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.45 1i21 n ILE 59 Cb 0.53 0.04 0.00 0.00 -0.71 0.00 0.00 39.64 39.50 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 -0.06 0.00 -3.92 0.38 7.27 -1.07 -0.02 117.38 119.96 1i21 n GLN 61 Ca -0.01 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.71 1i21 n GLN 61 Cb 0.03 -0.78 -0.08 0.00 2.41 0.00 0.00 30.24 31.82 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 -1.87 3.39 -0.48 3.69 1.51 -1.26 -0.60 117.35 121.73 1i21 s TYR 62 Ca 0.00 0.30 0.08 0.00 -1.01 0.00 0.00 57.07 56.44 1i21 s TYR 62 Cb 0.00 -2.03 0.29 0.00 -0.11 0.00 0.00 41.96 40.11 1i21 s TYR 62 CO 0.00 0.40 0.70 0.09 -1.11 0.00 0.00 175.55 175.63 1i21 n ASN 63 N 2.93 1.94 -4.78 2.29 5.03 -1.10 -4.94 115.26 116.64 1i21 n ASN 63 Ca -0.18 -3.12 -0.33 0.00 0.87 0.00 0.00 54.58 51.82 1i21 n ASN 63 Cb 0.53 -0.63 0.04 0.00 -1.02 0.00 0.00 39.78 38.70 1i21 n ASN 63 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1i21 s PRO 64 N -2.19 2.89 0.00 3.52 0.04 -1.26 -3.66 135.00 134.34 1i21 s PRO 64 Ca 0.40 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1i21 s PRO 64 Cb 0.23 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.80 1i21 s PRO 64 CO -0.08 -1.17 0.00 1.33 0.04 0.00 0.00 177.00 177.11 1i21 n VAL 66 N -2.35 0.00 -3.20 -0.36 0.24 -0.87 -4.47 118.33 107.32 1i21 n VAL 66 Ca 0.10 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 62.00 1i21 n VAL 66 Cb 0.52 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.83 1i21 n VAL 66 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1i21 s ILE 67 N 0.00 5.07 0.09 1.34 1.01 -0.39 -2.28 121.20 126.04 1i21 s ILE 67 Ca 0.00 1.03 0.03 0.00 0.00 0.00 0.00 60.65 61.72 1i21 s ILE 67 Cb 0.00 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 1i21 s ILE 67 CO 0.00 0.14 0.08 -0.69 0.00 0.00 0.00 174.94 174.47 1i21 s VAL 68 N 1.83 4.49 0.00 2.92 1.01 0.20 -1.12 120.40 129.73 1i21 s VAL 68 Ca 0.25 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1i21 s VAL 68 Cb -0.16 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1i21 s VAL 68 CO 0.10 0.11 0.00 -0.90 0.00 0.00 0.00 175.10 174.40 1i21 n ASP 69 N 0.40 -0.58 -0.19 3.32 5.68 0.41 -2.73 116.55 122.85 1i21 n ASP 69 Ca -0.09 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.20 1i21 n ASP 69 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1i21 n ASP 69 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1i21 n LYS 70 N 0.00 0.00 -1.57 0.11 5.02 -1.26 -4.58 118.16 115.87 1i21 n LYS 70 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1i21 n LYS 70 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1i21 n LYS 70 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1i21 n ARG 71 N 0.00 0.00 -0.34 1.97 5.12 -1.26 -4.94 116.66 117.21 1i21 n ARG 71 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1i21 n ARG 71 Cb 0.42 -1.92 0.00 0.00 -1.16 0.00 0.00 32.46 29.80 1i21 n ARG 71 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1i21 n THR 72 N -0.88 0.00 -3.78 0.55 -1.04 -1.26 -5.03 114.28 102.84 1i21 n THR 72 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.75 1i21 n THR 72 Cb 0.38 0.06 0.04 0.00 -1.82 0.00 0.00 70.33 68.99 1i21 n THR 72 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1i21 n GLU 73 N 0.00 -5.60 -4.51 -2.82 2.13 -1.26 -4.96 120.64 103.61 1i21 n GLU 73 Ca 0.00 0.64 -0.34 0.00 0.66 0.00 0.00 57.16 58.12 1i21 n GLU 73 Cb 0.51 -5.43 -0.11 0.00 0.27 0.00 0.00 31.44 26.69 1i21 n GLU 73 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1i21 s THR 74 N -3.45 3.94 -0.01 6.31 -4.23 -1.26 -4.62 115.64 112.32 1i21 s THR 74 Ca 0.37 -0.38 -0.31 0.00 -1.18 0.00 0.00 61.69 60.18 1i21 s THR 74 Cb -0.18 -2.64 -0.10 0.00 1.34 0.00 0.00 72.50 70.92 1i21 s THR 74 CO 0.81 0.59 1.96 0.52 -0.54 0.00 0.00 174.62 177.95 1i21 n VAL 75 N 2.35 0.70 -0.09 2.29 0.31 -1.26 0.16 118.33 122.78 1i21 n VAL 75 Ca -0.18 -0.14 -0.08 0.00 -0.01 0.00 0.00 64.34 63.93 1i21 n VAL 75 Cb 0.53 -2.18 -0.16 0.00 -0.91 0.00 0.00 33.84 31.12 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 7.39 1.64 -3.39 3.52 0.00 -0.27 -4.73 120.51 124.66 1i21 n ALA 76 Ca 0.21 -1.25 -0.15 0.00 0.00 0.00 0.00 53.44 52.25 1i21 n ALA 76 Cb 0.37 -0.24 -0.06 0.00 0.00 0.00 0.00 19.45 19.52 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 -2.60 -1.47 -0.05 0.00 0.00 -1.14 -0.26 121.76 116.25 1i21 s ALA 77 Ca -0.10 0.86 -0.05 0.00 0.00 0.00 0.00 51.96 52.67 1i21 s ALA 77 Cb 0.07 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.43 1i21 s ALA 77 CO 0.84 -0.44 0.15 -0.08 0.00 0.00 0.00 175.76 176.22 1i21 s THR 78 N -1.89 0.01 0.19 0.00 -1.32 -0.68 -1.26 115.64 110.69 1i21 s THR 78 Ca -0.08 -0.07 -0.21 0.00 -1.21 0.00 0.00 61.69 60.12 1i21 s THR 78 Cb -0.01 -0.23 0.05 0.00 -1.51 0.00 0.00 72.50 70.79 1i21 s THR 78 CO 0.03 -0.04 0.58 -0.83 -2.21 0.00 0.00 174.62 172.16 1i21 s GLY 79 N -0.07 -0.36 0.02 6.08 0.00 -1.26 -1.43 107.32 110.30 1i21 s GLY 79 Ca -0.01 0.11 -0.07 0.00 0.00 0.00 0.00 44.72 44.75 1i21 s GLY 79 CO 0.00 -0.04 0.13 0.21 0.00 0.00 0.00 173.10 173.41 1i21 s ASN 80 N -2.82 0.07 -0.07 1.64 3.84 -0.50 -4.44 114.94 112.65 1i21 s ASN 80 Ca 0.05 -0.31 -0.01 0.00 0.21 0.00 0.00 52.86 52.80 1i21 s ASN 80 Cb -0.02 0.21 0.03 0.00 -0.55 0.00 0.00 41.25 40.92 1i21 s ASN 80 CO -0.07 -0.42 -0.01 -0.51 -2.79 0.00 0.00 177.10 173.30 1i21 s ILE 81 N -1.79 0.49 -0.15 -5.21 2.07 -1.24 0.12 121.20 115.50 1i21 s ILE 81 Ca -0.12 0.04 -0.13 0.00 -1.41 0.00 0.00 60.65 59.03 1i21 s ILE 81 Cb -0.06 -0.61 -0.05 0.00 0.13 0.00 0.00 42.46 41.88 1i21 s ILE 81 CO -0.00 0.27 0.28 -0.63 -1.91 0.00 0.00 174.94 172.95 1i21 s ILE 82 N 1.81 5.31 -0.17 2.00 1.09 0.93 -2.71 121.20 129.46 1i21 s ILE 82 Ca 0.03 0.52 -0.09 0.00 -1.10 0.00 0.00 60.65 60.02 1i21 s ILE 82 Cb -0.13 -3.61 -0.05 0.00 -1.06 0.00 0.00 42.46 37.62 1i21 s ILE 82 CO -0.05 0.42 0.12 -0.63 -0.10 0.00 0.00 174.94 174.70 1i21 s ILE 83 N 0.25 5.34 0.01 2.92 -1.09 0.23 0.23 121.20 129.08 1i21 s ILE 83 Ca 0.16 0.16 0.05 0.00 -2.23 0.00 0.00 60.65 58.79 1i21 s ILE 83 Cb -0.13 -3.40 -0.01 0.00 -1.58 0.00 0.00 42.46 37.34 1i21 s ILE 83 CO 0.04 0.50 -0.14 -0.70 -1.23 0.00 0.00 174.94 173.41 1i21 s GLU 84 N -0.08 1.07 -0.22 2.79 2.12 -0.60 -4.76 118.70 119.02 1i21 s GLU 84 Ca 0.10 -0.60 -0.09 0.00 0.36 0.00 0.00 54.97 54.73 1i21 s GLU 84 Cb -0.11 -1.06 -0.05 0.00 0.26 0.00 0.00 34.13 33.17 1i21 s GLU 84 CO 0.00 0.28 0.12 1.03 -0.54 0.00 0.00 175.26 176.15 1i21 s ARG 85 N -0.64 4.01 0.48 4.30 1.81 -1.26 -1.28 118.95 126.37 1i21 s ARG 85 Ca 0.04 -0.31 0.04 0.00 -1.72 0.00 0.00 55.73 53.78 1i21 s ARG 85 Cb -0.06 -3.42 0.04 0.00 -0.45 0.00 0.00 34.95 31.06 1i21 s ARG 85 CO 0.00 0.11 0.32 1.63 -0.68 0.00 0.00 175.30 176.68 1i21 n LYS 86 N 4.09 0.79 -0.09 3.54 5.02 -0.24 -4.99 118.16 126.28 1i21 n LYS 86 Ca -0.16 -3.05 -0.20 0.00 -2.02 0.00 0.00 58.31 52.88 1i21 n LYS 86 Cb 0.52 0.39 -0.12 0.00 -0.02 0.00 0.00 35.03 35.79 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 -1.58 1.58 -0.76 -0.18 5.41 -1.26 -3.43 119.36 119.14 1i21 n ILE 87 Ca -0.04 -0.57 -0.29 0.00 1.00 0.00 0.00 62.75 62.85 1i21 n ILE 87 Cb 0.55 -1.56 0.20 0.00 -0.71 0.00 0.00 39.64 38.12 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 -2.53 2.20 -1.28 1.39 -4.36 -1.26 -0.68 121.20 114.68 1i21 s ILE 88 Ca -0.31 0.06 -0.05 0.00 -0.26 0.00 0.00 60.65 60.09 1i21 s ILE 88 Cb 0.09 -2.22 -0.01 0.00 1.25 0.00 0.00 42.46 41.57 1i21 s ILE 88 CO 0.64 -0.08 0.66 1.41 0.24 0.00 0.00 174.94 177.81 1i21 n HIS 89 N -4.45 -1.88 -3.68 1.37 8.25 -1.26 -1.26 115.22 112.31 1i21 n HIS 89 Ca 0.07 0.73 -0.26 0.00 -0.26 0.00 0.00 57.72 57.99 1i21 n HIS 89 Cb 0.54 -4.00 0.03 0.00 1.12 0.00 0.00 29.99 27.68 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 -4.22 -2.53 -3.48 -0.41 4.71 -1.25 -2.23 120.64 111.23 1i21 n GLU 90 Ca -0.24 0.53 -0.20 0.00 -0.01 0.00 0.00 57.16 57.24 1i21 n GLU 90 Cb 0.66 -4.61 0.06 0.00 -1.01 0.00 0.00 31.44 26.53 1i21 n GLU 90 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1i21 n LEU 91 N -4.14 -4.16 -4.91 -4.62 4.77 0.14 -4.94 117.00 99.13 1i21 n LEU 91 Ca -0.17 -0.77 -0.27 0.00 -0.03 0.00 0.00 56.01 54.76 1i21 n LEU 91 Cb 0.63 -2.92 0.04 0.00 -2.33 0.00 0.00 43.42 38.85 1i21 n LEU 91 CO 0.68 0.30 0.61 -0.83 -1.33 0.00 0.00 177.39 176.82 1i21 s GLY 92 N -3.87 1.63 -0.12 -0.72 0.00 -0.39 -4.70 107.32 99.15 1i21 s GLY 92 Ca 0.24 -0.66 -0.06 0.00 0.00 0.00 0.00 44.72 44.25 1i21 s GLY 92 CO 0.78 -0.33 0.08 1.08 0.00 0.00 0.00 173.10 174.71 1i21 s LEU 93 N -5.14 4.03 -0.04 0.66 1.43 -1.26 -1.07 118.68 117.27 1i21 s LEU 93 Ca 0.56 0.29 0.03 0.00 -1.03 0.00 0.00 54.13 53.98 1i21 s LEU 93 Cb -0.11 -1.97 0.01 0.00 0.03 0.00 0.00 46.19 44.15 1i21 s LEU 93 CO 0.47 0.35 -0.11 0.00 0.23 0.00 0.00 176.35 177.29 1i21 s GLY 95 N 0.40 1.78 -0.26 0.00 0.00 0.26 -1.55 107.32 107.95 1i21 s GLY 95 Ca -0.08 -1.05 -0.01 0.00 0.00 0.00 0.00 44.72 43.58 1i21 s GLY 95 CO 0.02 -1.04 0.05 0.30 0.00 0.00 0.00 173.10 172.43 1i21 s HIS 96 N -1.70 1.59 0.01 1.90 3.76 0.13 -0.58 115.29 120.41 1i21 s HIS 96 Ca 0.34 -1.45 -0.30 0.00 -0.15 0.00 0.00 55.06 53.49 1i21 s HIS 96 Cb -0.11 -1.47 -0.04 0.00 1.11 0.00 0.00 32.58 32.07 1i21 s HIS 96 CO 0.27 -0.77 1.11 0.42 -0.85 0.00 0.00 174.74 174.92 1i21 s ILE 97 N 1.66 4.40 0.19 0.60 1.01 -0.23 -0.05 121.20 128.79 1i21 s ILE 97 Ca 0.04 1.72 -0.06 0.00 0.00 0.00 0.00 60.65 62.35 1i21 s ILE 97 Cb -0.17 -4.10 -0.02 0.00 0.01 0.00 0.00 42.46 38.17 1i21 s ILE 97 CO -0.16 0.11 0.26 -1.61 0.00 0.00 0.00 174.94 173.53 1i21 s GLU 98 N 1.25 1.25 -1.26 2.79 2.02 0.33 -4.58 118.70 120.50 1i21 s GLU 98 Ca 0.55 -1.38 -0.20 0.00 0.02 0.00 0.00 54.97 53.97 1i21 s GLU 98 Cb -0.25 0.35 0.01 0.00 0.10 0.00 0.00 34.13 34.34 1i21 s GLU 98 CO 0.27 -0.45 0.60 -0.25 0.02 0.00 0.00 175.26 175.45 1i21 n ASP 99 N -0.26 -3.31 -4.74 -0.19 8.00 -1.26 -1.41 116.55 113.38 1i21 n ASP 99 Ca -0.02 -1.14 -0.41 0.00 0.71 0.00 0.00 54.79 53.93 1i21 n ASP 99 Cb 0.64 -2.56 -0.05 0.00 -0.02 0.00 0.00 41.12 39.14 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 -3.68 4.62 -0.29 0.53 1.01 -1.26 -4.00 121.20 118.12 1i21 s ILE 100 Ca 0.34 1.87 -0.06 0.00 0.00 0.00 0.00 60.65 62.80 1i21 s ILE 100 Cb -0.15 -4.23 0.15 0.00 0.01 0.00 0.00 42.46 38.24 1i21 s ILE 100 CO 0.92 0.33 0.61 0.00 0.00 0.00 0.00 174.94 176.81 1i21 s ALA 101 N 0.01 -2.07 -0.16 9.38 0.00 -0.52 -4.88 121.76 123.51 1i21 s ALA 101 Ca 0.43 2.08 -0.17 0.00 0.00 0.00 0.00 51.96 54.30 1i21 s ALA 101 Cb -0.22 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.95 1i21 s ALA 101 CO 0.27 -1.09 0.44 0.08 0.00 0.00 0.00 175.76 175.46 1i21 s VAL 102 N 2.86 5.19 -2.00 0.00 1.01 -1.26 -1.68 120.40 124.52 1i21 s VAL 102 Ca 0.05 0.84 0.04 0.00 0.00 0.00 0.00 61.98 62.91 1i21 s VAL 102 Cb -0.13 -3.77 0.12 0.00 0.00 0.00 0.00 36.38 32.59 1i21 s VAL 102 CO -0.19 0.28 0.65 -3.20 0.00 0.00 0.00 175.10 172.64 1i21 n ASN 103 N 4.11 0.00 0.00 3.32 2.85 0.64 -4.96 115.26 121.21 1i21 n ASN 103 Ca -0.07 -0.63 0.00 0.00 -0.11 0.00 0.00 54.58 53.76 1i21 n ASN 103 Cb 0.51 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.53 1i21 n ASN 103 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1i21 n GLN 107 N -0.67 0.00 0.00 1.20 -0.00 -1.26 -5.04 117.38 111.61 1i21 n GLN 107 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.03 1i21 n GLN 107 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.25 1i21 n GLN 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1i21 n GLY 108 N 0.00 0.00 3.05 2.61 0.00 -1.26 -4.66 105.19 104.93 1i21 n GLY 108 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1i21 n GLY 108 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1i21 s GLN 109 N 0.00 0.44 0.00 1.61 -0.44 -1.26 -5.08 119.66 114.93 1i21 s GLN 109 Ca 0.00 0.77 0.00 0.00 -2.50 0.00 0.00 55.36 53.63 1i21 s GLN 109 Cb 0.00 0.01 0.00 0.00 -1.64 0.00 0.00 33.01 31.38 1i21 s GLN 109 CO 0.00 -0.60 0.00 0.41 0.50 0.00 0.00 175.29 175.60 1i21 n GLY 110 N 5.39 0.68 2.76 2.59 0.00 -1.26 -4.99 105.19 110.36 1i21 n GLY 110 Ca -0.03 -1.47 -0.18 0.00 0.00 0.00 0.00 46.02 44.34 1i21 n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i21 s LEU 111 N 0.00 0.32 -0.02 0.99 1.43 -1.26 -4.32 118.68 115.82 1i21 s LEU 111 Ca 0.00 0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 53.25 1i21 s LEU 111 Cb 0.00 0.03 -0.26 0.00 0.03 0.00 0.00 46.19 45.98 1i21 s LEU 111 CO 0.00 -0.22 0.75 1.23 0.23 0.00 0.00 176.35 178.35 1i21 h GLY 112 N 8.08 0.23 1.73 -3.19 0.00 -1.98 -2.86 103.07 105.08 1i21 h GLY 112 Ca -0.22 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 46.49 1i21 h GLY 112 CO 0.24 0.52 0.05 1.70 0.00 0.00 0.00 176.54 179.05 1i21 h LYS 113 N 0.06 0.34 0.06 4.80 3.11 -1.96 -0.69 116.57 122.30 1i21 h LYS 113 Ca -0.27 -0.05 -0.24 0.00 -2.81 0.00 0.00 60.65 57.28 1i21 h LYS 113 Cb 2.01 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 33.17 1i21 h LYS 113 CO 0.13 0.33 -1.13 -0.07 -2.81 0.00 0.00 179.45 175.91 1i21 h LEU 114 N 0.34 0.21 -0.50 5.20 3.38 -1.83 -2.46 115.31 119.66 1i21 h LEU 114 Ca 0.08 -0.23 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 1i21 h LEU 114 Cb 0.16 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1i21 h LEU 114 CO -0.00 1.18 -0.28 0.25 0.09 0.00 0.00 178.44 179.68 1i21 h LEU 115 N 0.04 0.96 -0.59 1.67 5.85 -1.20 -2.68 115.31 119.36 1i21 h LEU 115 Ca -0.07 -0.39 -0.15 0.00 0.84 0.00 0.00 57.88 58.11 1i21 h LEU 115 Cb 1.87 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.63 1i21 h LEU 115 CO 0.17 1.17 -0.45 0.40 -0.34 0.00 0.00 178.44 179.39 1i21 h ILE 116 N 0.79 1.30 0.00 4.05 5.03 -1.16 -2.61 117.51 124.91 1i21 h ILE 116 Ca 0.09 -1.64 -0.02 0.00 -0.12 0.00 0.00 64.86 63.18 1i21 h ILE 116 Cb 0.85 1.59 -0.00 0.00 -3.03 0.00 0.00 36.82 36.23 1i21 h ILE 116 CO 0.07 0.52 -0.08 -0.78 -0.68 0.00 0.00 178.15 177.20 1i21 h ASP 117 N 0.50 0.00 0.08 1.72 1.82 -1.32 -1.28 116.42 117.93 1i21 h ASP 117 Ca 0.03 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1i21 h ASP 117 Cb 0.97 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.98 1i21 h ASP 117 CO 0.09 0.08 -0.04 -0.61 -1.61 0.00 0.00 179.24 177.15 1i21 h GLN 118 N 0.00 -0.10 -0.85 0.28 5.75 -1.36 -2.71 115.11 116.11 1i21 h GLN 118 Ca -0.00 0.01 0.20 0.00 -0.15 0.00 0.00 58.65 58.70 1i21 h GLN 118 Cb 0.68 0.02 -0.12 0.00 1.07 0.00 0.00 27.48 29.13 1i21 h GLN 118 CO 0.01 0.32 0.35 -0.07 -2.65 0.00 0.00 178.83 176.79 1i21 h LEU 119 N -0.97 0.28 -0.37 -2.39 3.38 -1.40 0.51 115.31 114.36 1i21 h LEU 119 Ca -0.01 0.14 0.06 0.00 0.09 0.00 0.00 57.88 58.17 1i21 h LEU 119 Cb 0.46 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 1i21 h LEU 119 CO 0.02 0.02 0.02 0.58 0.09 0.00 0.00 178.44 179.16 1i21 h VAL 120 N 0.40 0.75 0.22 1.22 2.07 -1.28 -2.44 116.25 117.19 1i21 h VAL 120 Ca 0.51 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 68.00 1i21 h VAL 120 Cb 0.93 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 1i21 h VAL 120 CO -0.50 0.02 -0.46 0.74 0.02 0.00 0.00 177.57 177.39 1i21 h THR 121 N 0.12 0.10 -0.70 2.57 2.02 0.33 -1.54 112.91 115.82 1i21 h THR 121 Ca 0.18 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.51 1i21 h THR 121 Cb 0.24 0.10 -0.13 0.00 -1.74 0.00 0.00 68.15 66.63 1i21 h THR 121 CO -0.28 0.00 -0.09 0.40 0.37 0.00 0.00 175.52 175.92 1i21 h ILE 122 N -0.76 0.35 -0.47 3.11 2.04 -1.20 0.13 117.51 120.70 1i21 h ILE 122 Ca -0.00 -0.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 1i21 h ILE 122 Cb 0.74 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1i21 h ILE 122 CO -0.20 0.01 0.12 1.23 0.00 0.00 0.00 178.15 179.31 1i21 h GLY 123 N 0.05 0.81 2.00 5.37 0.00 -0.87 -1.46 103.07 108.96 1i21 h GLY 123 Ca 0.36 -0.50 -0.10 0.00 0.00 0.00 0.00 47.33 47.08 1i21 h GLY 123 CO -0.67 0.47 -0.50 0.74 0.00 0.00 0.00 176.54 176.58 1i21 h PHE 124 N 0.64 0.00 -0.30 5.60 0.04 -0.76 -1.96 116.94 120.21 1i21 h PHE 124 Ca 0.15 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.78 1i21 h PHE 124 Cb 0.32 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 1i21 h PHE 124 CO 0.02 0.50 -0.39 -0.44 -0.60 0.00 0.00 178.31 177.40 1i21 h ASP 125 N 0.00 0.73 0.27 2.17 5.19 -0.52 -2.74 116.42 121.53 1i21 h ASP 125 Ca -0.00 -0.33 -0.05 0.00 -0.62 0.00 0.00 57.03 56.03 1i21 h ASP 125 Cb 0.97 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.26 1i21 h ASP 125 CO 0.06 1.04 -0.23 1.88 -3.12 0.00 0.00 179.24 178.87 1i21 h TYR 126 N 0.57 0.00 0.00 4.55 0.05 -0.95 -3.46 116.97 117.73 1i21 h TYR 126 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.83 1i21 h TYR 126 Cb 0.92 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.66 1i21 h TYR 126 CO 0.04 0.23 0.00 0.41 -1.05 0.00 0.00 178.16 177.79 1i21 n GLY 127 N -0.79 1.02 3.73 3.88 0.00 -1.03 -5.08 105.19 106.93 1i21 n GLY 127 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 3.48 0.56 -3.57 0.00 0.18 -0.45 -4.66 117.16 112.70 1i21 n TYR 129 Ca 0.13 0.16 -0.17 0.00 1.88 0.00 0.00 57.90 59.90 1i21 n TYR 129 Cb 0.37 -0.68 -0.07 0.00 -0.38 0.00 0.00 39.34 38.59 1i21 n TYR 129 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 1i21 s LYS 130 N -3.12 0.98 -0.02 -3.48 2.20 -1.25 -5.09 119.74 109.95 1i21 s LYS 130 Ca 0.09 0.24 0.03 0.00 -0.36 0.00 0.00 55.97 55.96 1i21 s LYS 130 Cb 0.14 0.46 -0.00 0.00 -1.51 0.00 0.00 37.83 36.92 1i21 s LYS 130 CO 0.67 -0.29 -0.11 0.42 -0.36 0.00 0.00 175.35 175.68 1i21 s ILE 131 N -1.10 0.92 0.22 5.43 1.01 -1.26 -0.57 121.20 125.85 1i21 s ILE 131 Ca -0.11 -0.46 0.04 0.00 0.00 0.00 0.00 60.65 60.12 1i21 s ILE 131 Cb -0.01 -0.79 -0.05 0.00 0.01 0.00 0.00 42.46 41.61 1i21 s ILE 131 CO 0.08 0.27 -0.01 0.27 0.00 0.00 0.00 174.94 175.56 1i21 s ILE 132 N 0.01 1.04 -0.03 2.92 -4.36 0.26 -4.93 121.20 116.12 1i21 s ILE 132 Ca -0.01 -2.04 -0.29 0.00 -0.26 0.00 0.00 60.65 58.05 1i21 s ILE 132 Cb -0.08 -2.30 0.08 0.00 1.25 0.00 0.00 42.46 41.41 1i21 s ILE 132 CO 0.00 -0.36 0.73 -1.48 0.24 0.00 0.00 174.94 174.07 1i21 s LEU 133 N -3.29 -0.58 0.07 0.37 0.05 -1.26 -1.07 118.68 112.96 1i21 s LEU 133 Ca 0.27 0.51 0.05 0.00 0.05 0.00 0.00 54.13 55.02 1i21 s LEU 133 Cb 0.05 2.42 -0.04 0.00 -2.05 0.00 0.00 46.19 46.57 1i21 s LEU 133 CO 0.08 -0.63 -0.05 -1.81 -0.55 0.00 0.00 176.35 173.39 1i21 s ASP 134 N -1.50 4.72 0.23 1.48 1.01 -1.26 -5.06 116.67 116.30 1i21 s ASP 134 Ca -0.07 -0.23 -0.11 0.00 0.71 0.00 0.00 52.55 52.85 1i21 s ASP 134 Cb -0.00 -1.06 -0.01 0.00 1.01 0.00 0.00 42.92 42.86 1i21 s ASP 134 CO 0.04 0.21 0.42 0.00 0.21 0.00 0.00 175.17 176.05 1i21 s ASP 136 N -3.03 6.35 0.31 0.00 1.01 -1.26 -4.96 116.67 115.09 1i21 s ASP 136 Ca 0.24 1.72 0.02 0.00 0.71 0.00 0.00 52.55 55.24 1i21 s ASP 136 Cb 0.01 -2.53 0.59 0.00 1.01 0.00 0.00 42.92 42.00 1i21 s ASP 136 CO 0.08 -0.77 1.89 -0.33 0.21 0.00 0.00 175.17 176.25 1i21 h GLU 137 N 0.98 0.93 -0.29 8.23 4.39 -2.02 -1.36 114.58 125.44 1i21 h GLU 137 Ca -0.47 -0.06 0.09 0.00 0.34 0.00 0.00 59.36 59.25 1i21 h GLU 137 Cb 1.20 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.63 1i21 h GLU 137 CO 0.60 0.62 0.41 -0.22 -1.16 0.00 0.00 179.01 179.26 1i21 h LYS 138 N 0.96 0.00 -0.02 2.33 3.64 -2.06 -1.19 116.57 120.23 1i21 h LYS 138 Ca 0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 1i21 h LYS 138 Cb 0.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1i21 h LYS 138 CO -0.18 0.00 -0.18 0.09 -2.27 0.00 0.00 179.45 176.90 1i21 n ASN 139 N -3.49 2.40 -0.14 4.20 3.02 -0.52 -4.55 115.26 116.18 1i21 n ASN 139 Ca 0.05 -1.70 -0.03 0.00 -0.03 0.00 0.00 54.58 52.86 1i21 n ASN 139 Cb 0.55 0.20 0.05 0.00 -0.61 0.00 0.00 39.78 39.97 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 3.34 0.69 -0.37 2.41 2.07 -1.23 -1.08 116.25 122.09 1i21 h VAL 140 Ca 0.00 -0.05 0.08 0.00 0.82 0.00 0.00 66.70 67.55 1i21 h VAL 140 Cb 0.80 0.53 -0.08 0.00 -1.52 0.00 0.00 31.29 31.02 1i21 h VAL 140 CO 0.00 0.03 -0.17 0.11 0.02 0.00 0.00 177.57 177.56 1i21 h LYS 141 N 0.15 -0.10 -0.60 1.57 1.79 -1.80 0.11 116.57 117.69 1i21 h LYS 141 Ca 0.22 0.01 0.13 0.00 -2.18 0.00 0.00 60.65 58.83 1i21 h LYS 141 Cb 0.32 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.95 1i21 h LYS 141 CO -0.34 -0.07 0.41 0.35 -1.08 0.00 0.00 179.45 178.72 1i21 h PHE 142 N -0.10 0.28 0.00 -1.35 3.57 -1.51 -2.03 116.94 115.79 1i21 h PHE 142 Ca 0.19 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1i21 h PHE 142 Cb 0.39 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.04 1i21 h PHE 142 CO -0.40 0.12 -1.59 0.66 -2.23 0.00 0.00 178.31 174.87 1i21 n TYR 143 N -4.44 0.29 0.23 0.41 4.02 -0.26 -3.64 117.16 113.77 1i21 n TYR 143 Ca 0.11 0.08 0.11 0.00 -0.01 0.00 0.00 57.90 58.20 1i21 n TYR 143 Cb 0.50 -0.60 0.44 0.00 -0.02 0.00 0.00 39.34 39.67 1i21 n TYR 143 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1i21 h GLU 144 N 0.00 0.00 -0.00 -0.72 5.08 -0.39 -0.19 114.58 118.36 1i21 h GLU 144 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1i21 h GLU 144 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1i21 h GLU 144 CO 0.00 0.16 -0.26 1.63 -1.00 0.00 0.00 179.01 179.54 1i21 n LYS 145 N -3.26 0.14 -0.07 2.33 4.76 -0.81 -2.87 118.16 118.39 1i21 n LYS 145 Ca 0.01 -0.06 0.12 0.00 -2.87 0.00 0.00 58.31 55.51 1i21 n LYS 145 Cb 0.44 -1.50 0.18 0.00 -1.84 0.00 0.00 35.03 32.31 1i21 n LYS 145 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1i21 n GLY 147 N 1.38 0.63 3.71 0.00 0.00 -1.14 -4.95 105.19 104.83 1i21 n GLY 147 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 3.62 0.32 1.61 0.40 -0.15 -4.98 117.98 116.81 1i21 s PHE 148 Ca 0.00 1.51 0.00 0.00 -0.60 0.00 0.00 56.93 57.84 1i21 s PHE 148 Cb 0.00 -2.99 -0.04 0.00 0.51 0.00 0.00 43.02 40.50 1i21 s PHE 148 CO 0.00 0.02 0.53 0.45 0.70 0.00 0.00 175.22 176.92 1i21 s SER 149 N 0.93 6.32 0.41 1.36 0.15 -1.26 -3.65 113.70 117.95 1i21 s SER 149 Ca 0.46 0.45 -0.24 0.00 0.70 0.00 0.00 55.95 57.32 1i21 s SER 149 Cb -0.20 -2.03 -0.08 0.00 -1.71 0.00 0.00 66.02 62.00 1i21 s SER 149 CO 0.24 -0.25 1.11 0.21 1.20 0.00 0.00 173.24 175.74 1i21 s ASN 150 N -3.87 6.56 0.00 5.45 3.84 -1.26 -4.95 114.94 120.71 1i21 s ASN 150 Ca 0.40 2.19 0.00 0.00 0.21 0.00 0.00 52.86 55.66 1i21 s ASN 150 Cb -0.10 -2.60 0.00 0.00 -0.55 0.00 0.00 41.25 38.00 1i21 s ASN 150 CO 0.35 -0.64 0.00 0.00 -2.79 0.00 0.00 177.10 174.02 1i21 n ALA 151 N -0.11 0.74 0.00 1.71 0.00 -1.26 -5.16 120.51 116.44 1i21 n ALA 151 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1i21 n ALA 151 Cb 0.48 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 0.77 -1.13 3.71 0.00 0.00 -1.26 -5.14 105.19 102.14 1i21 n GLY 152 Ca 0.00 -1.16 -0.33 0.00 0.00 0.00 0.00 46.02 44.53 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 4.29 0.55 1.61 1.01 -1.26 -5.11 120.40 118.49 1i21 s VAL 153 Ca 0.00 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.49 1i21 s VAL 153 Cb 0.00 -2.93 0.06 0.00 0.00 0.00 0.00 36.38 33.51 1i21 s VAL 153 CO 0.00 0.37 0.76 -0.70 0.00 0.00 0.00 175.10 175.53 1i21 s GLU 154 N -1.59 2.40 0.00 2.72 2.12 -1.26 -5.20 118.70 117.89 1i21 s GLU 154 Ca 0.20 -1.25 0.00 0.00 0.36 0.00 0.00 54.97 54.28 1i21 s GLU 154 Cb -0.12 -2.59 0.00 0.00 0.26 0.00 0.00 34.13 31.68 1i21 s GLU 154 CO 0.11 -0.76 0.00 0.00 -0.54 0.00 0.00 175.26 174.07 1i21 n GLN 156 N -2.25 0.00 -3.63 4.30 10.64 -1.26 -5.16 117.38 120.03 1i21 n GLN 156 Ca 0.12 0.00 -0.15 0.00 -1.83 0.00 0.00 57.00 55.13 1i21 n GLN 156 Cb 0.60 0.00 -0.07 0.00 -0.86 0.00 0.00 30.24 29.91 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 2.07 -1.26 -5.41 121.20 114.23 1i21 s ILE 157 Ca 0.00 -0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.14 1i21 s ILE 157 Cb 0.00 -0.86 0.00 0.00 0.13 0.00 0.00 42.46 41.73 1i21 s ILE 157 CO 0.00 -0.06 0.25 0.54 -1.91 0.00 0.00 174.94 173.77