#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2p s ILE 6 N 0.00 -0.20 0.51 0.55 1.01 0.62 -4.83 121.20 118.86 2i2p s ILE 6 Ca 0.00 0.23 -0.04 0.00 0.00 0.00 0.00 60.65 60.84 2i2p s ILE 6 Cb 0.00 -0.37 -0.01 0.00 0.01 0.00 0.00 42.46 42.08 2i2p s ILE 6 CO 0.00 0.09 0.80 -0.13 0.00 0.00 0.00 174.94 175.70 2i2p s ARG 7 N 1.79 3.22 -0.43 2.79 3.00 -1.26 0.15 118.95 128.21 2i2p s ARG 7 Ca -0.04 -0.02 0.05 0.00 0.00 0.00 0.00 55.73 55.72 2i2p s ARG 7 Cb -0.11 -2.38 0.17 0.00 0.00 0.00 0.00 34.95 32.63 2i2p s ARG 7 CO -0.08 -0.39 0.46 0.96 0.00 0.00 0.00 175.30 176.26 2i2p s ILE 8 N -2.79 -0.29 -0.15 1.52 -0.00 -1.22 -3.93 121.20 114.35 2i2p s ILE 8 Ca 0.50 -1.56 -0.29 0.00 -0.00 0.00 0.00 60.65 59.29 2i2p s ILE 8 Cb -0.10 -0.68 -0.03 0.00 -0.00 0.00 0.00 42.46 41.65 2i2p s ILE 8 CO 0.43 -0.65 1.43 -0.60 -0.00 0.00 0.00 174.94 175.55 2i2p s ARG 9 N 0.80 4.13 0.25 0.37 3.52 -1.16 -4.46 118.95 122.39 2i2p s ARG 9 Ca 0.26 1.77 -0.03 0.00 -0.13 0.00 0.00 55.73 57.61 2i2p s ARG 9 Cb -0.04 -3.88 -0.05 0.00 -1.56 0.00 0.00 34.95 29.42 2i2p s ARG 9 CO -0.09 -0.87 0.48 -0.51 -0.81 0.00 0.00 175.30 173.50 2i2p s LEU 10 N 3.97 4.13 -0.30 -0.88 1.02 0.40 -1.62 118.68 125.39 2i2p s LEU 10 Ca 0.62 0.56 -0.13 0.00 0.02 0.00 0.00 54.13 55.21 2i2p s LEU 10 Cb -0.25 -3.36 0.17 0.00 0.02 0.00 0.00 46.19 42.77 2i2p s LEU 10 CO 0.22 -0.13 0.94 -1.59 0.02 0.00 0.00 176.35 175.81 2i2p s LYS 11 N -3.47 0.31 0.13 1.70 0.00 -0.93 -3.15 119.74 114.33 2i2p s LYS 11 Ca 0.41 0.69 -0.11 0.00 0.00 0.00 0.00 55.97 56.97 2i2p s LYS 11 Cb -0.11 0.41 0.00 0.00 0.00 0.00 0.00 37.83 38.13 2i2p s LYS 11 CO 0.30 -0.19 0.29 0.00 0.00 0.00 0.00 175.35 175.74 2i2p s ALA 12 N 2.65 -0.30 -0.41 0.59 0.00 -0.67 -3.73 121.76 119.88 2i2p s ALA 12 Ca 0.00 -0.61 0.04 0.00 0.00 0.00 0.00 51.96 51.39 2i2p s ALA 12 Cb -0.08 0.70 0.33 0.00 0.00 0.00 0.00 23.12 24.06 2i2p s ALA 12 CO -0.16 -0.61 1.25 1.19 0.00 0.00 0.00 175.76 177.42 2i2p n PHE 13 N -0.17 1.16 0.00 0.00 0.99 -1.26 0.06 117.46 118.24 2i2p n PHE 13 Ca -0.12 -0.75 0.00 0.00 -0.00 0.00 0.00 57.45 56.59 2i2p n PHE 13 Cb 0.63 -0.44 0.00 0.00 -1.00 0.00 0.00 39.48 38.67 2i2p n PHE 13 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 2i2p n ASP 14 N -0.00 0.00 0.18 4.37 5.75 -1.26 -4.89 116.55 120.70 2i2p n ASP 14 Ca 0.20 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 55.05 2i2p n ASP 14 Cb 0.86 0.00 0.20 0.00 -1.03 0.00 0.00 41.12 41.16 2i2p n ASP 14 CO 0.00 0.00 0.00 -0.74 -0.11 0.00 0.00 177.20 176.35 2i2p h HIS 15 N 0.00 0.00 -0.77 2.11 2.76 -1.97 -3.30 115.15 113.98 2i2p h HIS 15 Ca 0.00 0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.35 2i2p h HIS 15 Cb 0.00 0.00 -0.13 0.00 1.55 0.00 0.00 27.41 28.83 2i2p h HIS 15 CO 0.00 0.31 0.07 0.00 -1.30 0.00 0.00 177.93 177.00 2i2p h ARG 16 N 0.00 0.14 -0.65 5.26 -0.00 -1.99 1.89 114.38 119.04 2i2p h ARG 16 Ca -0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.47 2i2p h ARG 16 Cb 1.09 -0.03 0.00 0.00 0.00 0.00 0.00 29.97 31.03 2i2p h ARG 16 CO 0.04 0.09 0.00 1.28 0.00 0.00 0.00 179.97 181.38 2i2p n LEU 17 N -5.30 2.64 0.05 3.04 4.32 -1.24 -4.26 117.00 116.24 2i2p n LEU 17 Ca 0.15 -1.33 0.00 0.00 -0.02 0.00 0.00 56.01 54.81 2i2p n LEU 17 Cb 0.50 -0.46 0.00 0.00 -1.62 0.00 0.00 43.42 41.85 2i2p n LEU 17 CO 0.06 0.43 -0.13 -0.38 -1.22 0.00 0.00 177.39 176.15 2i2p n ILE 18 N 0.34 0.26 0.00 -0.08 2.08 0.28 -4.65 119.36 117.59 2i2p n ILE 18 Ca 0.12 0.09 0.00 0.00 0.56 0.00 0.00 62.75 63.52 2i2p n ILE 18 Cb 0.53 -0.98 0.00 0.00 -0.75 0.00 0.00 39.64 38.44 2i2p n ILE 18 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 2i2p n ASP 19 N -3.08 0.00 0.00 4.38 -0.08 0.57 0.62 116.55 118.96 2i2p n ASP 19 Ca 0.00 0.44 0.00 0.00 -1.51 0.00 0.00 54.79 53.73 2i2p n ASP 19 Cb 0.13 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.60 2i2p n ASP 19 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2i2p n GLN 20 N -0.73 0.65 0.00 -0.67 6.02 -1.26 -3.15 117.38 118.24 2i2p n GLN 20 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2i2p n GLN 20 Cb 0.00 -1.01 0.00 0.00 1.02 0.00 0.00 30.24 30.25 2i2p n GLN 20 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2i2p n ALA 21 N -0.51 0.00 -0.31 -1.58 0.00 -0.56 -4.18 120.51 113.38 2i2p n ALA 21 Ca 0.00 -0.13 0.15 0.00 0.00 0.00 0.00 53.44 53.47 2i2p n ALA 21 Cb 0.00 0.00 0.33 0.00 0.00 0.00 0.00 19.45 19.78 2i2p n ALA 21 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2i2p h THR 22 N 0.00 0.31 -0.00 0.00 2.02 0.10 -0.74 112.91 114.60 2i2p h THR 22 Ca 0.00 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.10 2i2p h THR 22 Cb 0.00 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.45 2i2p h THR 22 CO 0.00 0.04 -0.11 0.00 0.37 0.00 0.00 175.52 175.82 2i2p h ALA 23 N 1.80 -0.59 -0.74 6.16 0.00 -1.69 -0.99 119.26 123.21 2i2p h ALA 23 Ca 0.60 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.63 2i2p h ALA 23 Cb 1.24 0.60 -0.05 0.00 0.00 0.00 0.00 17.79 19.59 2i2p h ALA 23 CO -0.64 -0.62 0.49 1.05 0.00 0.00 0.00 179.25 179.53 2i2p h GLU 24 N -0.14 0.42 -0.10 0.00 4.11 -1.56 0.33 114.58 117.64 2i2p h GLU 24 Ca 0.00 -0.03 0.03 0.00 0.07 0.00 0.00 59.36 59.44 2i2p h GLU 24 Cb 0.15 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2i2p h GLU 24 CO -0.08 0.28 0.11 0.82 0.07 0.00 0.00 179.01 180.21 2i2p h ILE 25 N 0.43 0.53 0.00 -1.06 2.04 0.06 -1.90 117.51 117.62 2i2p h ILE 25 Ca 0.36 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 66.03 2i2p h ILE 25 Cb 0.78 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 2i2p h ILE 25 CO -0.12 0.00 -1.02 0.58 0.00 0.00 0.00 178.15 177.60 2i2p h VAL 26 N 0.00 1.09 -0.16 1.67 2.07 0.87 -3.37 116.25 118.42 2i2p h VAL 26 Ca 0.05 -2.21 -0.07 0.00 0.82 0.00 0.00 66.70 65.28 2i2p h VAL 26 Cb 0.26 2.45 -0.04 0.00 -1.52 0.00 0.00 31.29 32.44 2i2p h VAL 26 CO -0.00 0.37 0.10 -0.62 0.02 0.00 0.00 177.57 177.43 2i2p n GLU 27 N -4.47 1.26 -0.09 1.57 1.02 -0.92 -4.11 120.64 114.91 2i2p n GLU 27 Ca -0.28 -0.50 -0.08 0.00 -0.02 0.00 0.00 57.16 56.28 2i2p n GLU 27 Cb 0.64 -1.25 -0.03 0.00 -0.02 0.00 0.00 31.44 30.79 2i2p n GLU 27 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2i2p n THR 28 N 0.21 1.42 0.35 2.62 -2.24 -0.74 -4.65 114.28 111.26 2i2p n THR 28 Ca 0.09 0.16 -0.16 0.00 -2.27 0.00 0.00 64.05 61.87 2i2p n THR 28 Cb 0.66 -2.31 -0.08 0.00 -2.10 0.00 0.00 70.33 66.50 2i2p n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2i2p h ALA 29 N -1.05 -0.89 -0.49 6.98 0.00 -1.70 -3.34 119.26 118.77 2i2p h ALA 29 Ca 0.00 -0.21 -0.69 0.00 0.00 0.00 0.00 54.91 54.00 2i2p h ALA 29 Cb 0.94 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 2i2p h ALA 29 CO 0.00 -0.92 2.61 0.36 0.00 0.00 0.00 179.25 181.30 2i2p n LYS 30 N -5.42 3.05 0.29 0.00 2.85 -1.26 -4.66 118.16 113.02 2i2p n LYS 30 Ca -0.13 -2.99 0.14 0.00 -1.05 0.00 0.00 58.31 54.29 2i2p n LYS 30 Cb 0.38 -3.40 0.77 0.00 -0.65 0.00 0.00 35.03 32.12 2i2p n LYS 30 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2i2p h ARG 31 N 6.87 0.00 0.00 -1.58 2.47 -1.83 -3.09 114.38 117.22 2i2p h ARG 31 Ca 0.50 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.22 2i2p h ARG 31 Cb 0.77 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.09 2i2p h ARG 31 CO 1.65 0.00 -0.51 0.25 0.56 0.00 0.00 179.97 181.92 2i2p n THR 32 N -2.72 0.00 0.00 2.04 -2.24 -1.26 -5.09 114.28 105.02 2i2p n THR 32 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2i2p n THR 32 Cb 0.31 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 2i2p n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2i2p n GLY 33 N 2.51 2.29 3.65 3.38 0.00 -1.17 -5.19 105.19 110.65 2i2p n GLY 33 Ca 0.00 -0.55 -0.00 0.00 0.00 0.00 0.00 46.02 45.46 2i2p n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2i2p s ALA 34 N -2.00 -2.08 0.00 4.61 0.00 -1.26 -4.77 121.76 116.26 2i2p s ALA 34 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.59 2i2p s ALA 34 Cb 0.00 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.51 2i2p s ALA 34 CO 0.00 -1.01 0.00 0.94 0.00 0.00 0.00 175.76 175.69 2i2p n GLN 35 N -0.45 0.00 -2.00 0.00 7.27 -1.26 -5.02 117.38 115.92 2i2p n GLN 35 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.00 2i2p n GLN 35 Cb 0.62 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.27 2i2p n GLN 35 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2i2p n VAL 36 N 0.00-12.57 -0.34 1.69 0.31 -1.26 -4.71 118.33 101.45 2i2p n VAL 36 Ca 0.00 3.08 0.18 0.00 -0.01 0.00 0.00 64.34 67.59 2i2p n VAL 36 Cb 0.00 -5.39 0.34 0.00 -0.91 0.00 0.00 33.84 27.88 2i2p n VAL 36 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2i2p n ARG 37 N 1.72 -0.08 0.00 5.55 5.12 0.31 -4.75 116.66 124.53 2i2p n ARG 37 Ca 0.00 1.47 0.00 0.00 -1.93 0.00 0.00 57.85 57.39 2i2p n ARG 37 Cb 0.00 -2.39 0.00 0.00 -1.16 0.00 0.00 32.46 28.91 2i2p n ARG 37 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2i2p n GLY 38 N -1.46 2.48 3.72 -0.13 0.00 -0.70 -5.01 105.19 104.10 2i2p n GLY 38 Ca 0.26 -1.92 -0.34 0.00 0.00 0.00 0.00 46.02 44.02 2i2p n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2i2p s PRO 39 N -2.99 2.13 0.07 1.61 0.04 -1.26 -2.29 135.00 132.31 2i2p s PRO 39 Ca 0.00 1.75 -0.14 0.00 0.04 0.00 0.00 61.00 62.64 2i2p s PRO 39 Cb 0.00 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.73 2i2p s PRO 39 CO 0.00 -1.84 0.33 -1.50 0.04 0.00 0.00 177.00 174.03 2i2p s ILE 40 N -2.01 0.08 0.00 0.56 1.10 -1.26 -4.65 121.20 115.02 2i2p s ILE 40 Ca 0.74 -0.69 0.00 0.00 -0.51 0.00 0.00 60.65 60.19 2i2p s ILE 40 Cb -0.29 -1.06 0.00 0.00 0.15 0.00 0.00 42.46 41.27 2i2p s ILE 40 CO 0.45 -0.38 0.05 -0.81 -2.11 0.00 0.00 174.94 172.14 2i2p n PRO 41 N 0.27 0.00 0.00 3.50 -0.04 -1.26 -2.73 135.00 134.74 2i2p n PRO 41 Ca -0.17 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 2i2p n PRO 41 Cb 0.61 -0.98 0.00 0.00 -0.04 0.00 0.00 33.50 33.09 2i2p n PRO 41 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2i2p n LEU 42 N -1.86 0.00 0.00 1.53 4.77 -1.26 -3.95 117.00 116.24 2i2p n LEU 42 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2i2p n LEU 42 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2i2p n LEU 42 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.39 175.25 2i2p n PRO 43 N -2.12 1.86 -3.24 3.23 -0.04 -1.26 -4.91 135.00 128.52 2i2p n PRO 43 Ca 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 2i2p n PRO 43 Cb 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.42 2i2p n PRO 43 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2i2p s THR 44 N 0.00 -0.81 -0.31 0.52 2.01 -1.26 -4.61 115.64 111.18 2i2p s THR 44 Ca 0.00 -0.06 -0.29 0.00 0.31 0.00 0.00 61.69 61.65 2i2p s THR 44 Cb 0.00 -0.93 -0.01 0.00 0.01 0.00 0.00 72.50 71.57 2i2p s THR 44 CO 0.00 -0.08 1.55 -0.13 -0.69 0.00 0.00 174.62 175.27 2i2p s ARG 45 N 2.70 3.64 -0.10 4.92 1.81 -1.25 -4.96 118.95 125.71 2i2p s ARG 45 Ca 0.15 1.34 0.02 0.00 -1.72 0.00 0.00 55.73 55.52 2i2p s ARG 45 Cb -0.14 -4.05 -0.01 0.00 -0.45 0.00 0.00 34.95 30.30 2i2p s ARG 45 CO -0.21 -1.48 -0.17 0.21 -0.68 0.00 0.00 175.30 172.98 2i2p s LYS 46 N 4.90 3.04 -0.52 3.54 2.20 -1.26 -3.60 119.74 128.03 2i2p s LYS 46 Ca 0.68 -0.75 0.04 0.00 -0.36 0.00 0.00 55.97 55.58 2i2p s LYS 46 Cb -0.20 -2.46 0.13 0.00 -1.51 0.00 0.00 37.83 33.80 2i2p s LYS 46 CO 0.30 0.31 0.26 -1.21 -0.36 0.00 0.00 175.35 174.66 2i2p s GLU 47 N 0.07 2.00 0.20 4.03 2.02 -1.26 -5.03 118.70 120.73 2i2p s GLU 47 Ca -0.07 -2.62 -0.31 0.00 0.02 0.00 0.00 54.97 51.99 2i2p s GLU 47 Cb -0.15 -3.34 -0.10 0.00 0.10 0.00 0.00 34.13 30.64 2i2p s GLU 47 CO 0.05 -1.11 1.55 -0.98 0.02 0.00 0.00 175.26 174.79 2i2p s ARG 48 N -0.27 4.21 -0.17 1.61 3.03 -1.26 -3.88 118.95 122.22 2i2p s ARG 48 Ca 0.17 2.39 0.00 0.00 2.03 0.00 0.00 55.73 60.32 2i2p s ARG 48 Cb -0.26 -3.12 0.03 0.00 -1.03 0.00 0.00 34.95 30.57 2i2p s ARG 48 CO -0.00 -0.57 -0.11 -0.06 -1.13 0.00 0.00 175.30 173.42 2i2p s PHE 49 N 0.71 2.21 -0.03 5.89 2.99 0.12 -4.95 117.98 124.92 2i2p s PHE 49 Ca 0.67 -1.35 0.01 0.00 0.00 0.00 0.00 56.93 56.26 2i2p s PHE 49 Cb -0.44 -1.58 -0.03 0.00 0.00 0.00 0.00 43.02 40.97 2i2p s PHE 49 CO 0.36 -0.69 -0.05 0.95 -0.00 0.00 0.00 175.22 175.79 2i2p s THR 50 N 1.47 3.83 0.02 0.64 -4.23 -1.26 0.88 115.64 116.98 2i2p s THR 50 Ca 0.02 -0.58 -0.07 0.00 -1.18 0.00 0.00 61.69 59.88 2i2p s THR 50 Cb -0.14 -2.63 -0.00 0.00 1.34 0.00 0.00 72.50 71.06 2i2p s THR 50 CO -0.09 0.49 0.13 0.68 -0.54 0.00 0.00 174.62 175.29 2i2p s VAL 51 N -0.93 0.10 0.07 2.29 -7.23 -0.78 -4.95 120.40 108.97 2i2p s VAL 51 Ca 0.15 -0.84 -0.27 0.00 -1.81 0.00 0.00 61.98 59.22 2i2p s VAL 51 Cb -0.11 -0.62 -0.06 0.00 0.56 0.00 0.00 36.38 36.15 2i2p s VAL 51 CO 0.05 -0.46 0.84 -0.76 -0.31 0.00 0.00 175.10 174.46 2i2p s LEU 52 N -1.69 4.47 0.00 1.32 1.02 -1.26 0.10 118.68 122.64 2i2p s LEU 52 Ca -0.11 1.58 0.00 0.00 0.02 0.00 0.00 54.13 55.62 2i2p s LEU 52 Cb -0.05 -3.37 0.00 0.00 0.02 0.00 0.00 46.19 42.79 2i2p s LEU 52 CO -0.01 -0.02 0.00 -0.38 0.02 0.00 0.00 176.35 175.96 2i2p n ILE 53 N 2.82 0.00 -1.54 -0.59 5.41 -1.26 -4.87 119.36 119.33 2i2p n ILE 53 Ca -0.01 0.00 -0.59 0.00 1.00 0.00 0.00 62.75 63.15 2i2p n ILE 53 Cb 0.50 -0.06 -0.08 0.00 -0.71 0.00 0.00 39.64 39.29 2i2p n ILE 53 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2i2p n SER 54 N 0.00 0.31 -4.78 4.38 2.88 -1.26 -4.91 113.62 110.24 2i2p n SER 54 Ca 0.00 1.16 -0.37 0.00 -1.33 0.00 0.00 58.87 58.32 2i2p n SER 54 Cb 0.00 -0.95 -0.05 0.00 -0.75 0.00 0.00 64.21 62.46 2i2p n SER 54 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2i2p s PRO 55 N 0.40 4.44 0.11 -1.46 0.04 -1.26 -4.72 135.00 132.55 2i2p s PRO 55 Ca 0.92 1.49 0.00 0.00 0.04 0.00 0.00 61.00 63.45 2i2p s PRO 55 Cb -1.26 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 30.50 2i2p s PRO 55 CO 0.59 0.11 0.00 1.58 0.04 0.00 0.00 177.00 179.31 2i2p n HIS 56 N 0.45 -3.17 -1.83 0.56 -0.00 -1.26 -4.92 115.22 105.06 2i2p n HIS 56 Ca 0.02 1.91 0.00 0.00 0.46 0.00 0.00 57.72 60.11 2i2p n HIS 56 Cb 0.49 -3.10 0.00 0.00 -0.12 0.00 0.00 29.99 27.26 2i2p n HIS 56 CO 0.00 0.00 0.00 1.55 0.46 0.00 0.00 176.34 178.35 2i2p n VAL 57 N 1.21 0.00 -2.78 3.57 3.14 -1.26 -4.88 118.33 117.32 2i2p n VAL 57 Ca 0.00 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.24 2i2p n VAL 57 Cb 0.00 0.00 0.03 0.00 -1.06 0.00 0.00 33.84 32.81 2i2p n VAL 57 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2i2p n ASN 58 N -3.63 -4.36 0.00 6.55 3.02 -1.26 -4.87 115.26 110.70 2i2p n ASN 58 Ca 0.00 -0.19 0.07 0.00 -0.03 0.00 0.00 54.58 54.42 2i2p n ASN 58 Cb 0.00 -3.20 0.39 0.00 -0.61 0.00 0.00 39.78 36.36 2i2p n ASN 58 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2i2p n LYS 59 N -2.79 0.38 0.00 3.52 -0.00 -1.26 -2.08 118.16 115.93 2i2p n LYS 59 Ca -0.06 0.03 0.14 0.00 -0.00 0.00 0.00 58.31 58.42 2i2p n LYS 59 Cb 0.57 -1.50 0.60 0.00 -0.00 0.00 0.00 35.03 34.70 2i2p n LYS 59 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2i2p n ASP 60 N -1.05 0.88 0.00 -5.58 2.03 -1.26 -4.61 116.55 106.96 2i2p n ASP 60 Ca 0.09 -1.06 0.00 0.00 0.52 0.00 0.00 54.79 54.35 2i2p n ASP 60 Cb 0.06 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 2i2p n ASP 60 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2i2p n ALA 61 N -0.48 0.00 -0.20 -1.67 0.00 -0.88 -5.10 120.51 112.18 2i2p n ALA 61 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.64 2i2p n ALA 61 Cb 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.73 2i2p n ALA 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2i2p n ARG 62 N 0.00 -0.45 -3.42 0.00 1.74 -1.26 -4.94 116.66 108.33 2i2p n ARG 62 Ca 0.00 0.35 -0.02 0.00 -0.77 0.00 0.00 57.85 57.41 2i2p n ARG 62 Cb 0.00 -0.53 -0.04 0.00 -1.02 0.00 0.00 32.46 30.87 2i2p n ARG 62 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2i2p s ASP 63 N -4.93 -0.88 0.20 0.55 2.15 0.29 -4.68 116.67 109.37 2i2p s ASP 63 Ca 0.00 1.02 -0.04 0.00 0.43 0.00 0.00 52.55 53.95 2i2p s ASP 63 Cb 0.00 1.92 -0.05 0.00 -0.30 0.00 0.00 42.92 44.49 2i2p s ASP 63 CO 0.00 -0.25 0.44 -1.10 -0.17 0.00 0.00 175.17 174.09 2i2p s GLN 64 N 2.78 3.62 0.26 4.34 -0.21 -1.26 -1.87 119.66 127.32 2i2p s GLN 64 Ca 0.08 -0.09 0.03 0.00 0.02 0.00 0.00 55.36 55.39 2i2p s GLN 64 Cb -0.14 -2.78 -0.04 0.00 1.00 0.00 0.00 33.01 31.06 2i2p s GLN 64 CO -0.18 0.38 0.19 0.71 -2.12 0.00 0.00 175.29 174.26 2i2p s TYR 65 N -1.82 1.43 -0.30 0.91 1.51 0.25 -4.96 117.35 114.37 2i2p s TYR 65 Ca 0.42 -1.49 -0.09 0.00 -1.01 0.00 0.00 57.07 54.90 2i2p s TYR 65 Cb -0.11 -0.65 0.14 0.00 -0.11 0.00 0.00 41.96 41.23 2i2p s TYR 65 CO 0.26 -0.72 0.66 -1.83 -1.11 0.00 0.00 175.55 172.82 2i2p s GLU 66 N -3.86 0.56 -0.98 -0.62 -1.05 -1.26 0.11 118.70 111.60 2i2p s GLU 66 Ca 0.39 1.34 -0.21 0.00 -0.15 0.00 0.00 54.97 56.34 2i2p s GLU 66 Cb 0.05 0.80 0.08 0.00 -0.44 0.00 0.00 34.13 34.62 2i2p s GLU 66 CO 0.19 -0.27 1.31 0.42 0.95 0.00 0.00 175.26 177.86 2i2p s ILE 67 N 2.87 4.27 -0.43 1.83 1.01 -1.25 -4.97 121.20 124.53 2i2p s ILE 67 Ca -0.01 -1.11 -0.27 0.00 0.00 0.00 0.00 60.65 59.25 2i2p s ILE 67 Cb -0.12 -4.94 -0.03 0.00 0.01 0.00 0.00 42.46 37.38 2i2p s ILE 67 CO -0.19 -1.76 1.97 0.00 0.00 0.00 0.00 174.94 174.96 2i2p s ARG 68 N 4.00 2.90 -0.42 2.79 1.70 -1.26 -4.31 118.95 124.34 2i2p s ARG 68 Ca 0.40 1.26 -0.14 0.00 -0.47 0.00 0.00 55.73 56.78 2i2p s ARG 68 Cb -0.02 -4.34 0.04 0.00 -0.57 0.00 0.00 34.95 30.06 2i2p s ARG 68 CO -0.10 -2.38 0.32 0.99 -1.08 0.00 0.00 175.30 173.05 2i2p s THR 69 N 8.59 5.14 0.65 4.99 2.01 -1.24 -4.33 115.64 131.45 2i2p s THR 69 Ca 0.82 -0.82 -0.05 0.00 0.31 0.00 0.00 61.69 61.94 2i2p s THR 69 Cb -0.20 -3.93 0.04 0.00 0.01 0.00 0.00 72.50 68.42 2i2p s THR 69 CO 0.29 -0.39 0.95 -1.00 -0.69 0.00 0.00 174.62 173.78 2i2p s HIS 70 N 1.65 3.01 0.25 4.92 3.76 0.11 -3.82 115.29 125.17 2i2p s HIS 70 Ca 0.04 0.44 -0.17 0.00 -0.15 0.00 0.00 55.06 55.22 2i2p s HIS 70 Cb -0.21 -3.00 0.01 0.00 1.11 0.00 0.00 32.58 30.49 2i2p s HIS 70 CO 0.08 -1.17 0.59 -0.48 -0.85 0.00 0.00 174.74 172.91 2i2p s LEU 71 N -5.11 0.03 0.05 0.89 0.05 -1.26 -1.67 118.68 111.66 2i2p s LEU 71 Ca 0.58 -0.72 -0.17 0.00 0.05 0.00 0.00 54.13 53.86 2i2p s LEU 71 Cb -0.11 2.23 0.03 0.00 -2.05 0.00 0.00 46.19 46.30 2i2p s LEU 71 CO 0.44 -1.21 0.39 -0.13 -0.55 0.00 0.00 176.35 175.29 2i2p s ARG 72 N -3.95 0.91 0.00 1.48 1.81 -1.19 -4.61 118.95 113.40 2i2p s ARG 72 Ca 0.16 -0.41 0.00 0.00 -1.72 0.00 0.00 55.73 53.75 2i2p s ARG 72 Cb -0.03 0.40 0.00 0.00 -0.45 0.00 0.00 34.95 34.88 2i2p s ARG 72 CO 0.06 -0.31 0.00 -0.11 -0.68 0.00 0.00 175.30 174.26 2i2p n LEU 73 N 0.46 0.08 0.00 2.53 -0.00 -1.10 -0.46 117.00 118.51 2i2p n LEU 73 Ca -0.18 0.05 0.00 0.00 -0.00 0.00 0.00 56.01 55.88 2i2p n LEU 73 Cb 0.60 -0.40 0.00 0.00 -0.00 0.00 0.00 43.42 43.62 2i2p n LEU 73 CO 0.20 -0.40 0.00 0.52 -0.00 0.00 0.00 177.39 177.72 2i2p n VAL 74 N -2.21 0.00 -2.02 1.96 0.31 -0.97 -3.69 118.33 111.71 2i2p n VAL 74 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2i2p n VAL 74 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2i2p n VAL 74 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2i2p n ASP 75 N 6.10 -8.70 -4.82 4.52 4.64 -1.26 -1.71 116.55 115.32 2i2p n ASP 75 Ca 0.00 1.34 -0.38 0.00 -1.38 0.00 0.00 54.79 54.37 2i2p n ASP 75 Cb 0.00 -4.91 -0.06 0.00 -1.04 0.00 0.00 41.12 35.11 2i2p n ASP 75 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 2i2p s ILE 76 N -0.50 5.03 -0.13 5.18 -5.25 0.39 -0.53 121.20 125.39 2i2p s ILE 76 Ca 0.00 0.88 -0.09 0.00 -0.99 0.00 0.00 60.65 60.45 2i2p s ILE 76 Cb 0.00 -3.74 -0.03 0.00 2.95 0.00 0.00 42.46 41.64 2i2p s ILE 76 CO 0.00 0.54 -0.17 0.52 -1.79 0.00 0.00 174.94 174.04 2i2p n VAL 77 N 2.08 1.24 -2.79 8.37 0.31 -1.26 -0.28 118.33 125.99 2i2p n VAL 77 Ca -0.13 0.25 -0.43 0.00 -0.01 0.00 0.00 64.34 64.02 2i2p n VAL 77 Cb 0.52 -2.27 -0.04 0.00 -0.91 0.00 0.00 33.84 31.14 2i2p n VAL 77 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2i2p s GLU 78 N -2.15 3.53 -0.82 5.55 2.56 -1.26 -3.05 118.70 123.06 2i2p s GLU 78 Ca -0.14 0.17 -0.07 0.00 0.00 0.00 0.00 54.97 54.93 2i2p s GLU 78 Cb 0.02 -3.94 -0.11 0.00 2.00 0.00 0.00 34.13 32.10 2i2p s GLU 78 CO 0.21 -1.28 2.63 -0.35 -0.56 0.00 0.00 175.26 175.91 2i2p n PRO 79 N 7.30 2.38 -1.53 4.30 -0.04 -1.26 -4.83 135.00 141.32 2i2p n PRO 79 Ca 0.06 -1.44 -0.41 0.00 -0.04 0.00 0.00 63.50 61.68 2i2p n PRO 79 Cb 0.48 -2.36 -0.05 0.00 -0.04 0.00 0.00 33.50 31.53 2i2p n PRO 79 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2i2p n THR 80 N 3.48 0.05 0.15 0.52 -1.04 -1.26 -4.75 114.28 111.44 2i2p n THR 80 Ca 0.51 -0.53 0.07 0.00 -2.04 0.00 0.00 64.05 62.06 2i2p n THR 80 Cb 0.35 -2.23 0.39 0.00 -1.82 0.00 0.00 70.33 67.03 2i2p n THR 80 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2i2p n GLU 81 N 8.75 0.10 0.00 -2.82 -0.58 -1.26 0.11 120.64 124.93 2i2p n GLU 81 Ca 0.41 0.57 0.13 0.00 -0.42 0.00 0.00 57.16 57.85 2i2p n GLU 81 Cb 0.40 -2.04 0.41 0.00 -0.57 0.00 0.00 31.44 29.64 2i2p n GLU 81 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2i2p n LYS 82 N -2.06 0.29 0.00 3.49 0.00 -1.26 -3.96 118.16 114.66 2i2p n LYS 82 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 58.31 58.16 2i2p n LYS 82 Cb 0.25 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.78 2i2p n LYS 82 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2i2p n THR 83 N -1.24 0.00 0.20 3.15 -2.24 0.30 -4.73 114.28 109.73 2i2p n THR 83 Ca 0.09 -0.26 -0.13 0.00 -2.27 0.00 0.00 64.05 61.48 2i2p n THR 83 Cb 0.33 1.16 -0.07 0.00 -2.10 0.00 0.00 70.33 69.65 2i2p n THR 83 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 2i2p h VAL 84 N 0.16 0.00 0.00 2.28 -1.51 -0.94 -1.45 116.25 114.79 2i2p h VAL 84 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2i2p h VAL 84 Cb 0.08 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.24 2i2p h VAL 84 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 176.81 2i2p n ASP 85 N -4.61 0.28 0.00 4.19 8.00 -1.26 -2.02 116.55 121.13 2i2p n ASP 85 Ca -0.08 0.57 0.06 0.00 0.71 0.00 0.00 54.79 56.04 2i2p n ASP 85 Cb 0.33 -0.63 0.33 0.00 -0.02 0.00 0.00 41.12 41.13 2i2p n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2i2p n ALA 86 N -1.62 1.84 0.00 2.24 0.00 -0.55 -1.43 120.51 121.00 2i2p n ALA 86 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2i2p n ALA 86 Cb 0.20 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.46 2i2p n ALA 86 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2i2p n LEU 87 N -1.12 0.43 0.33 0.00 -0.00 -0.86 -3.28 117.00 112.51 2i2p n LEU 87 Ca 0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.95 2i2p n LEU 87 Cb 0.06 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.42 2i2p n LEU 87 CO 0.08 -0.11 0.45 0.24 -0.00 0.00 0.00 177.39 178.04 2i2p h MET 88 N 0.00 -0.83 -1.00 1.96 2.86 -1.40 -2.94 114.93 113.59 2i2p h MET 88 Ca 0.00 0.06 0.22 0.00 -2.06 0.00 0.00 59.70 57.91 2i2p h MET 88 Cb 0.46 0.19 -0.12 0.00 0.06 0.00 0.00 31.60 32.19 2i2p h MET 88 CO 0.00 -0.55 0.59 -0.09 1.06 0.00 0.00 176.91 177.92 2i2p h ARG 89 N -0.97 0.65 -2.40 1.72 2.43 -1.49 -0.83 114.38 113.48 2i2p h ARG 89 Ca -0.09 -0.04 -0.45 0.00 -0.81 0.00 0.00 59.98 58.60 2i2p h ARG 89 Cb 0.66 -0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 30.01 2i2p h ARG 89 CO 0.14 0.43 1.44 1.28 -1.51 0.00 0.00 179.97 181.75 2i2p n LEU 90 N -4.84 6.88 -4.21 3.80 4.77 -1.11 -4.77 117.00 117.53 2i2p n LEU 90 Ca 0.25 -3.87 -0.44 0.00 -0.03 0.00 0.00 56.01 51.92 2i2p n LEU 90 Cb 0.65 -1.44 -0.00 0.00 -2.33 0.00 0.00 43.42 40.30 2i2p n LEU 90 CO 0.19 1.87 0.87 -0.90 -1.33 0.00 0.00 177.39 178.09 2i2p n ASP 91 N 2.58 5.73 0.00 -1.43 3.85 -0.32 -4.83 116.55 122.13 2i2p n ASP 91 Ca 0.58 -3.17 0.00 0.00 -0.71 0.00 0.00 54.79 51.49 2i2p n ASP 91 Cb 0.57 -1.32 0.00 0.00 -1.35 0.00 0.00 41.12 39.02 2i2p n ASP 91 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 2i2p n LEU 92 N 2.19 0.28 -2.03 -2.12 7.99 -1.26 -5.07 117.00 116.97 2i2p n LEU 92 Ca 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.25 2i2p n LEU 92 Cb 0.37 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.68 2i2p n LEU 92 CO 0.55 0.00 -0.50 0.00 -1.51 0.00 0.00 177.39 175.93 2i2p n ALA 93 N -2.76 -2.00 -0.39 -1.18 0.00 -1.26 -4.61 120.51 108.30 2i2p n ALA 93 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2i2p n ALA 93 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 17.95 2i2p n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i2p n ALA 94 N 1.17 3.75 -0.73 0.00 0.00 -1.26 -4.56 120.51 118.88 2i2p n ALA 94 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2i2p n ALA 94 Cb 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.38 2i2p n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2i2p n GLY 95 N 1.49 0.76 0.00 0.00 0.00 -1.26 -5.06 105.19 101.11 2i2p n GLY 95 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2i2p n GLY 95 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2i2p n VAL 96 N -0.67 0.00 -3.16 1.61 0.31 -1.26 -5.03 118.33 110.14 2i2p n VAL 96 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 2i2p n VAL 96 Cb 0.24 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.15 2i2p n VAL 96 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2i2p s ASP 97 N -0.17 -0.15 -0.23 4.52 -1.08 -1.24 -5.01 116.67 113.30 2i2p s ASP 97 Ca 0.00 0.11 -0.03 0.00 -0.52 0.00 0.00 52.55 52.11 2i2p s ASP 97 Cb 0.00 1.14 0.07 0.00 -1.46 0.00 0.00 42.92 42.67 2i2p s ASP 97 CO 0.00 -0.03 0.07 0.68 0.52 0.00 0.00 175.17 176.41 2i2p s VAL 98 N 2.86 0.43 0.92 1.11 -7.23 -1.23 -2.20 120.40 115.06 2i2p s VAL 98 Ca -0.07 -0.72 -0.11 0.00 -1.81 0.00 0.00 61.98 59.27 2i2p s VAL 98 Cb -0.08 -1.10 0.15 0.00 0.56 0.00 0.00 36.38 35.91 2i2p s VAL 98 CO -0.09 -0.40 1.11 -1.58 -0.31 0.00 0.00 175.10 173.83 2i2p s GLN 99 N 1.88 1.01 -0.32 4.82 0.74 -0.64 -4.70 119.66 122.45 2i2p s GLN 99 Ca 0.03 1.27 0.06 0.00 0.05 0.00 0.00 55.36 56.77 2i2p s GLN 99 Cb -0.17 -1.75 0.19 0.00 1.10 0.00 0.00 33.01 32.39 2i2p s GLN 99 CO -0.16 -2.54 0.62 0.96 -0.55 0.00 0.00 175.29 173.62 2i2p s ILE 100 N -2.71 -0.96 0.07 -2.34 -4.36 -1.25 -3.00 121.20 106.65 2i2p s ILE 100 Ca 0.65 0.00 -0.26 0.00 -0.26 0.00 0.00 60.65 60.78 2i2p s ILE 100 Cb -0.21 -0.74 0.08 0.00 1.25 0.00 0.00 42.46 42.85 2i2p s ILE 100 CO 0.58 0.00 0.73 -0.44 0.24 0.00 0.00 174.94 176.06 2i2p s SER 101 N 2.61 -0.49 0.00 4.36 0.01 -1.26 -4.97 113.70 113.96 2i2p s SER 101 Ca 0.12 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.44 2i2p s SER 101 Cb -0.08 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.65 2i2p s SER 101 CO -0.22 -0.79 0.00 -0.11 0.41 0.00 0.00 173.24 172.54