#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p6c s LYS 2 N 0.00 3.77 -0.02 2.12 1.02 0.25 -4.97 119.74 121.91 2p6c s LYS 2 Ca 0.00 0.20 -0.04 0.00 0.02 0.00 0.00 55.97 56.16 2p6c s LYS 2 Cb 0.00 -3.05 0.01 0.00 -0.52 0.00 0.00 37.83 34.26 2p6c s LYS 2 CO 0.00 0.60 0.10 0.00 -0.92 0.00 0.00 175.35 175.12 2p6c s ALA 3 N -1.32 -0.23 -0.08 5.17 0.00 -1.26 -1.69 121.76 122.35 2p6c s ALA 3 Ca 0.30 0.11 -0.05 0.00 0.00 0.00 0.00 51.96 52.33 2p6c s ALA 3 Cb -0.14 -0.08 0.04 0.00 0.00 0.00 0.00 23.12 22.93 2p6c s ALA 3 CO 0.17 -0.09 0.20 -0.47 0.00 0.00 0.00 175.76 175.56 2p6c s TYR 4 N -0.39 -0.25 -0.01 0.00 5.04 0.09 -4.99 117.35 116.84 2p6c s TYR 4 Ca -0.05 0.62 0.06 0.00 -2.44 0.00 0.00 57.07 55.26 2p6c s TYR 4 Cb -0.03 0.01 -0.02 0.00 0.35 0.00 0.00 41.96 42.28 2p6c s TYR 4 CO 0.00 -0.18 -0.18 0.99 -1.34 0.00 0.00 175.55 174.84 2p6c s THR 5 N 0.92 1.45 -0.18 4.34 2.01 -1.26 -0.86 115.64 122.06 2p6c s THR 5 Ca -0.07 -0.82 -0.13 0.00 0.31 0.00 0.00 61.69 60.98 2p6c s THR 5 Cb -0.08 -1.21 0.05 0.00 0.01 0.00 0.00 72.50 71.27 2p6c s THR 5 CO -0.05 0.38 0.46 -0.75 -0.69 0.00 0.00 174.62 173.97 2p6c s LYS 6 N -0.50 0.49 -0.12 4.92 2.47 -0.82 -5.02 119.74 121.16 2p6c s LYS 6 Ca 0.07 0.74 -0.01 0.00 -1.56 0.00 0.00 55.97 55.21 2p6c s LYS 6 Cb -0.07 0.14 -0.03 0.00 -1.46 0.00 0.00 37.83 36.41 2p6c s LYS 6 CO -0.00 -0.11 -0.06 0.71 0.16 0.00 0.00 175.35 176.05 2p6c s TYR 7 N 0.80 2.97 -0.13 4.03 1.51 -1.26 -0.36 117.35 124.91 2p6c s TYR 7 Ca -0.04 -0.20 -0.04 0.00 -1.01 0.00 0.00 57.07 55.78 2p6c s TYR 7 Cb -0.05 -1.84 -0.03 0.00 -0.11 0.00 0.00 41.96 39.92 2p6c s TYR 7 CO -0.06 0.10 0.01 -0.51 -1.11 0.00 0.00 175.55 173.98 2p6c s LEU 8 N -0.14 3.55 -0.09 -1.29 1.43 0.92 -4.93 118.68 118.13 2p6c s LEU 8 Ca 0.02 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 2p6c s LEU 8 Cb -0.13 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 2p6c s LEU 8 CO 0.03 0.27 -0.13 -0.89 0.23 0.00 0.00 176.35 175.85 2p6c s THR 9 N -0.23 3.10 0.10 5.49 2.01 -1.26 -0.05 115.64 124.80 2p6c s THR 9 Ca 0.06 -0.68 0.06 0.00 0.31 0.00 0.00 61.69 61.44 2p6c s THR 9 Cb -0.12 -2.26 -0.03 0.00 0.01 0.00 0.00 72.50 70.09 2p6c s THR 9 CO 0.02 0.56 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.99 2p6c s PHE 10 N -0.18 1.44 -0.45 4.92 0.08 0.65 -4.96 117.98 119.48 2p6c s PHE 10 Ca 0.00 -0.48 0.06 0.00 0.12 0.00 0.00 56.93 56.64 2p6c s PHE 10 Cb -0.13 -0.78 0.22 0.00 -0.57 0.00 0.00 43.02 41.76 2p6c s PHE 10 CO 0.03 0.13 0.67 -1.71 -0.10 0.00 0.00 175.22 174.25 2p6c n ASN 11 N 0.95 -1.76 -4.57 1.36 2.85 -1.26 -0.33 115.26 112.50 2p6c n ASN 11 Ca -0.19 -2.92 -0.38 0.00 -0.11 0.00 0.00 54.58 50.98 2p6c n ASN 11 Cb 0.55 0.76 0.04 0.00 1.24 0.00 0.00 39.78 42.37 2p6c n ASN 11 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 2p6c n THR 12 N 1.98 3.06 0.20 -0.44 -2.24 -1.26 -4.72 114.28 110.86 2p6c n THR 12 Ca 0.17 -0.50 0.09 0.00 -2.27 0.00 0.00 64.05 61.54 2p6c n THR 12 Cb 0.57 -1.00 0.33 0.00 -2.10 0.00 0.00 70.33 68.12 2p6c n THR 12 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2p6c h LYS 13 N 0.56 0.00 -6.25 -0.78 3.64 -1.97 -2.72 116.57 109.06 2p6c h LYS 13 Ca -0.47 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.32 2p6c h LYS 13 Cb 1.37 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 33.07 2p6c h LYS 13 CO 0.51 0.26 -0.71 0.15 -2.27 0.00 0.00 179.45 177.39 2p6c s LYS 14 N -3.43 1.98 0.22 1.90 1.02 -1.26 -4.84 119.74 115.33 2p6c s LYS 14 Ca 0.02 -1.56 -0.09 0.00 0.02 0.00 0.00 55.97 54.37 2p6c s LYS 14 Cb 0.09 -1.98 0.19 0.00 -0.52 0.00 0.00 37.83 35.60 2p6c s LYS 14 CO 0.66 0.36 1.88 0.00 -0.92 0.00 0.00 175.35 177.33 2p6c h ARG 15 N 2.21 1.11 -5.60 1.68 3.08 -1.87 -3.32 114.38 111.67 2p6c h ARG 15 Ca -0.43 -0.09 -0.68 0.00 0.07 0.00 0.00 59.98 58.85 2p6c h ARG 15 Cb 1.25 -0.24 -0.32 0.00 0.08 0.00 0.00 29.97 30.73 2p6c h ARG 15 CO 0.59 0.76 -0.88 1.03 -1.07 0.00 0.00 179.97 180.40 2p6c s ARG 16 N -6.04 2.86 -0.06 0.04 0.52 -1.26 0.55 118.95 115.55 2p6c s ARG 16 Ca -0.13 -0.89 -0.29 0.00 -0.52 0.00 0.00 55.73 53.90 2p6c s ARG 16 Cb 0.16 -2.25 0.10 0.00 0.52 0.00 0.00 34.95 33.47 2p6c s ARG 16 CO 0.80 0.26 0.82 -2.00 0.02 0.00 0.00 175.30 175.20 2p6c s GLU 17 N 0.14 0.87 -0.30 3.54 2.12 -0.56 -4.99 118.70 119.53 2p6c s GLU 17 Ca -0.13 0.03 -0.08 0.00 0.36 0.00 0.00 54.97 55.15 2p6c s GLU 17 Cb -0.16 0.41 -0.00 0.00 0.26 0.00 0.00 34.13 34.64 2p6c s GLU 17 CO 0.07 -0.31 0.12 -1.17 -0.54 0.00 0.00 175.26 173.43 2p6c s LEU 18 N -1.58 3.97 -0.14 2.70 2.96 -1.26 -0.19 118.68 125.14 2p6c s LEU 18 Ca -0.03 -0.60 0.02 0.00 -0.22 0.00 0.00 54.13 53.30 2p6c s LEU 18 Cb -0.00 -1.94 0.01 0.00 0.50 0.00 0.00 46.19 44.75 2p6c s LEU 18 CO 0.01 -0.19 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.00 2p6c s ILE 19 N 1.56 2.03 0.09 6.68 -1.09 -0.33 -4.94 121.20 125.20 2p6c s ILE 19 Ca 0.04 -0.96 -0.31 0.00 -2.23 0.00 0.00 60.65 57.19 2p6c s ILE 19 Cb -0.17 -1.80 -0.07 0.00 -1.58 0.00 0.00 42.46 38.84 2p6c s ILE 19 CO 0.04 0.54 1.36 -0.13 -1.23 0.00 0.00 174.94 175.52 2p6c s ARG 20 N 0.86 4.34 -0.01 2.79 0.52 -1.26 -0.42 118.95 125.76 2p6c s ARG 20 Ca -0.06 2.01 0.02 0.00 -0.52 0.00 0.00 55.73 57.17 2p6c s ARG 20 Cb -0.15 -3.30 0.03 0.00 0.52 0.00 0.00 34.95 32.04 2p6c s ARG 20 CO -0.03 -0.42 0.78 0.44 0.02 0.00 0.00 175.30 176.09 2p6c n ILE 21 N 4.03 0.45 -0.10 1.52 -5.35 -0.73 -4.85 119.36 114.33 2p6c n ILE 21 Ca 0.11 -0.48 -0.06 0.00 -0.27 0.00 0.00 62.75 62.05 2p6c n ILE 21 Cb 0.43 0.67 0.01 0.00 -1.74 0.00 0.00 39.64 39.01 2p6c n ILE 21 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2p6c h THR 22 N 2.55 0.88 -0.20 7.28 2.02 -1.89 -1.24 112.91 122.31 2p6c h THR 22 Ca 0.00 -0.08 -0.05 0.00 0.77 0.00 0.00 66.41 67.05 2p6c h THR 22 Cb 0.93 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 2p6c h THR 22 CO 0.00 0.04 -0.08 0.44 0.37 0.00 0.00 175.52 176.30 2p6c h ASP 23 N 0.24 0.29 -0.55 4.18 3.32 -1.93 0.59 116.42 122.57 2p6c h ASP 23 Ca 0.16 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2p6c h ASP 23 Cb 0.15 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 2p6c h ASP 23 CO -0.18 0.41 0.29 -0.33 -1.72 0.00 0.00 179.24 177.71 2p6c h GLU 24 N 0.30 0.78 -0.38 3.56 3.07 -1.68 0.50 114.58 120.74 2p6c h GLU 24 Ca 0.06 -0.10 -0.15 0.00 -0.50 0.00 0.00 59.36 58.67 2p6c h GLU 24 Cb 0.34 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 2p6c h GLU 24 CO 0.02 0.62 -0.36 0.28 -1.40 0.00 0.00 179.01 178.16 2p6c h VAL 25 N 0.75 1.27 -0.70 3.13 2.07 -0.60 -2.32 116.25 119.85 2p6c h VAL 25 Ca 0.19 -1.53 -0.04 0.00 0.82 0.00 0.00 66.70 66.14 2p6c h VAL 25 Cb 0.07 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 2p6c h VAL 25 CO -0.03 0.51 0.26 0.11 0.02 0.00 0.00 177.57 178.45 2p6c h LYS 26 N 0.73 1.04 -0.87 1.57 1.57 -0.66 0.25 116.57 120.20 2p6c h LYS 26 Ca 0.07 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 2p6c h LYS 26 Cb 0.94 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 33.04 2p6c h LYS 26 CO 0.09 0.86 0.48 -0.22 -0.57 0.00 0.00 179.45 180.09 2p6c h LYS 27 N 1.01 1.21 -0.47 3.15 3.64 -0.67 -1.51 116.57 122.94 2p6c h LYS 27 Ca 0.23 -0.14 -0.13 0.00 -1.27 0.00 0.00 60.65 59.34 2p6c h LYS 27 Cb 0.22 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2p6c h LYS 27 CO -0.02 0.88 -0.23 0.00 -2.27 0.00 0.00 179.45 177.81 2p6c h ALA 28 N 1.31 0.66 -0.74 5.00 0.00 -0.80 -2.06 119.26 122.64 2p6c h ALA 28 Ca 0.31 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2p6c h ALA 28 Cb 0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2p6c h ALA 28 CO -0.05 0.66 0.36 0.28 0.00 0.00 0.00 179.25 180.50 2p6c h VAL 29 N 0.84 1.23 -0.06 0.00 2.07 -0.50 -1.82 116.25 118.01 2p6c h VAL 29 Ca 0.10 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 2p6c h VAL 29 Cb 0.81 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2p6c h VAL 29 CO 0.07 0.27 0.01 -0.08 0.02 0.00 0.00 177.57 177.86 2p6c h GLU 30 N 1.04 0.10 -0.31 1.57 4.81 -1.11 -2.99 114.58 117.69 2p6c h GLU 30 Ca 0.26 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.55 2p6c h GLU 30 Cb 0.09 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2p6c h GLU 30 CO -0.03 0.33 0.27 0.93 -0.73 0.00 0.00 179.01 179.77 2p6c h GLU 31 N -0.15 0.00 0.00 1.92 5.08 -1.11 -2.12 114.58 118.20 2p6c h GLU 31 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2p6c h GLU 31 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2p6c h GLU 31 CO 0.00 0.00 -0.07 0.66 -1.00 0.00 0.00 179.01 178.60 2p6c h SER 32 N 0.00 0.00 -0.08 1.42 4.64 -1.18 -3.47 113.55 114.88 2p6c h SER 32 Ca 0.15 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.43 2p6c h SER 32 Cb 0.69 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 2p6c h SER 32 CO -0.00 0.00 -0.03 -0.62 -0.87 0.00 0.00 176.83 175.31 2p6c n GLU 33 N -3.05 -1.72 -2.20 4.77 1.02 -0.80 -4.90 120.64 113.76 2p6c n GLU 33 Ca 0.04 0.50 -0.42 0.00 -0.02 0.00 0.00 57.16 57.26 2p6c n GLU 33 Cb 0.53 -4.82 -0.03 0.00 -0.02 0.00 0.00 31.44 27.10 2p6c n GLU 33 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2p6c s VAL 34 N -1.25 3.35 -0.18 2.62 1.01 -1.26 -4.94 120.40 119.74 2p6c s VAL 34 Ca 0.00 0.99 -0.20 0.00 0.00 0.00 0.00 61.98 62.77 2p6c s VAL 34 Cb 0.00 -3.63 -0.17 0.00 0.00 0.00 0.00 36.38 32.58 2p6c s VAL 34 CO 0.00 0.09 0.26 0.11 0.00 0.00 0.00 175.10 175.56 2p6c h LYS 35 N 6.51 0.00 -4.14 2.72 6.56 -1.04 -3.37 116.57 123.82 2p6c h LYS 35 Ca -0.43 0.00 -0.46 0.00 -1.06 0.00 0.00 60.65 58.71 2p6c h LYS 35 Cb 1.21 0.00 -0.35 0.00 -0.57 0.00 0.00 32.23 32.52 2p6c h LYS 35 CO 0.84 0.79 -0.79 -1.21 -2.06 0.00 0.00 179.45 177.03 2p6c s GLU 36 N -2.27 1.12 0.00 3.15 0.41 0.14 -1.32 118.70 119.93 2p6c s GLU 36 Ca -0.23 -0.18 0.00 0.00 -0.41 0.00 0.00 54.97 54.15 2p6c s GLU 36 Cb 0.03 -1.11 0.00 0.00 -1.78 0.00 0.00 34.13 31.27 2p6c s GLU 36 CO 0.52 -0.11 0.00 0.41 -0.49 0.00 0.00 175.26 175.59 2p6c n GLY 37 N 4.28 -0.71 3.32 -1.39 0.00 -0.78 -1.15 105.19 108.76 2p6c n GLY 37 Ca -0.20 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 44.81 2p6c n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2p6c s LEU 38 N 0.00 2.22 -0.25 0.99 1.43 -0.53 -0.77 118.68 121.76 2p6c s LEU 38 Ca 0.00 -0.62 -0.01 0.00 -1.03 0.00 0.00 54.13 52.46 2p6c s LEU 38 Cb 0.00 -1.14 0.08 0.00 0.03 0.00 0.00 46.19 45.15 2p6c s LEU 38 CO 0.00 0.19 0.05 0.00 0.23 0.00 0.00 176.35 176.82 2p6c s LEU 40 N 1.66 4.38 -0.20 0.00 2.96 -0.06 -0.36 118.68 127.07 2p6c s LEU 40 Ca 0.03 1.14 -0.01 0.00 -0.22 0.00 0.00 54.13 55.06 2p6c s LEU 40 Cb -0.17 -2.94 0.06 0.00 0.50 0.00 0.00 46.19 43.63 2p6c s LEU 40 CO -0.15 0.04 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.22 2p6c s VAL 41 N 0.14 0.93 0.00 1.68 1.01 -0.50 -0.89 120.40 122.78 2p6c s VAL 41 Ca 0.32 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.54 2p6c s VAL 41 Cb -0.18 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 2p6c s VAL 41 CO 0.17 -0.12 -0.04 -0.55 0.00 0.00 0.00 175.10 174.56 2p6c s SER 42 N 1.68 0.41 0.23 3.32 0.15 -0.48 -1.87 113.70 117.14 2p6c s SER 42 Ca -0.02 -0.15 -0.30 0.00 0.70 0.00 0.00 55.95 56.18 2p6c s SER 42 Cb -0.17 -0.02 -0.09 0.00 -1.71 0.00 0.00 66.02 64.03 2p6c s SER 42 CO -0.07 -0.02 1.14 -0.55 1.20 0.00 0.00 173.24 174.94 2p6c s SER 43 N -0.36 7.19 0.00 5.45 0.15 -0.87 -0.65 113.70 124.62 2p6c s SER 43 Ca -0.01 2.24 0.16 0.00 0.70 0.00 0.00 55.95 59.03 2p6c s SER 43 Cb -0.03 -2.62 0.52 0.00 -1.71 0.00 0.00 66.02 62.18 2p6c s SER 43 CO -0.00 -0.24 1.40 0.23 1.20 0.00 0.00 173.24 175.82 2p6c n MET 44 N 1.82 1.84 -4.41 5.44 0.00 -0.64 -4.90 117.12 116.27 2p6c n MET 44 Ca 0.01 -1.29 -0.21 0.00 0.00 0.00 0.00 57.70 56.22 2p6c n MET 44 Cb 0.45 -1.35 -0.10 0.00 0.00 0.00 0.00 33.22 32.22 2p6c n MET 44 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 175.97 174.96 2p6c s HIS 45 N -1.62 2.01 -1.56 2.03 3.76 -1.26 -4.98 115.29 113.67 2p6c s HIS 45 Ca 0.29 -0.45 0.27 0.00 -0.15 0.00 0.00 55.06 55.01 2p6c s HIS 45 Cb 0.15 -0.90 0.86 0.00 1.11 0.00 0.00 32.58 33.80 2p6c s HIS 45 CO 0.22 0.54 1.64 1.28 -0.85 0.00 0.00 174.74 177.56 2p6c n LEU 46 N -0.51 0.74 -0.25 0.89 7.99 -1.26 -4.01 117.00 120.59 2p6c n LEU 46 Ca -0.06 -0.11 0.09 0.00 -0.01 0.00 0.00 56.01 55.92 2p6c n LEU 46 Cb 0.60 -0.18 0.16 0.00 -0.11 0.00 0.00 43.42 43.90 2p6c n LEU 46 CO 0.37 0.14 0.57 0.35 -1.51 0.00 0.00 177.39 177.31 2p6c n THR 47 N -0.91 1.99 -3.50 -5.08 -2.24 -1.26 -4.00 114.28 99.27 2p6c n THR 47 Ca 0.11 -2.32 -0.14 0.00 -2.27 0.00 0.00 64.05 59.43 2p6c n THR 47 Cb 0.33 -0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.27 2p6c n THR 47 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2p6c s SER 48 N -2.79 -0.55 0.02 3.42 1.04 -1.26 -1.92 113.70 111.66 2p6c s SER 48 Ca 0.34 0.27 -0.03 0.00 0.48 0.00 0.00 55.95 57.01 2p6c s SER 48 Cb 0.30 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.95 2p6c s SER 48 CO 0.03 -0.78 0.04 -0.44 0.98 0.00 0.00 173.24 173.06 2p6c s SER 49 N -2.04 0.16 -0.22 7.02 0.01 -0.59 -4.67 113.70 113.35 2p6c s SER 49 Ca -0.04 -0.40 -0.19 0.00 1.31 0.00 0.00 55.95 56.62 2p6c s SER 49 Cb -0.01 0.14 -0.03 0.00 0.21 0.00 0.00 66.02 66.34 2p6c s SER 49 CO -0.03 -0.34 0.55 -0.69 0.41 0.00 0.00 173.24 173.14 2p6c s VAL 50 N -1.52 5.06 0.19 3.43 1.01 -0.76 0.68 120.40 128.49 2p6c s VAL 50 Ca -0.15 0.99 0.07 0.00 0.00 0.00 0.00 61.98 62.89 2p6c s VAL 50 Cb -0.08 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 2p6c s VAL 50 CO -0.00 0.12 -0.13 0.27 0.00 0.00 0.00 175.10 175.36 2p6c s ILE 51 N 2.00 1.59 -0.23 2.22 -4.36 -0.79 -3.46 121.20 118.16 2p6c s ILE 51 Ca 0.24 -2.17 -0.01 0.00 -0.26 0.00 0.00 60.65 58.45 2p6c s ILE 51 Cb -0.16 -2.01 0.03 0.00 1.25 0.00 0.00 42.46 41.57 2p6c s ILE 51 CO 0.09 -0.62 -0.10 -0.63 0.24 0.00 0.00 174.94 173.93 2p6c s ILE 52 N -3.07 2.66 0.18 8.37 1.01 -1.26 -0.57 121.20 128.51 2p6c s ILE 52 Ca 0.21 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 59.84 2p6c s ILE 52 Cb 0.00 -2.32 -0.00 0.00 0.01 0.00 0.00 42.46 40.15 2p6c s ILE 52 CO 0.05 0.26 0.04 0.00 0.00 0.00 0.00 174.94 175.30 2p6c n GLN 53 N 4.64 1.05 -2.36 2.79 1.13 -0.83 -4.93 117.38 118.88 2p6c n GLN 53 Ca -0.17 -1.42 -0.10 0.00 -1.94 0.00 0.00 57.00 53.37 2p6c n GLN 53 Cb 0.47 0.63 -0.00 0.00 0.11 0.00 0.00 30.24 31.45 2p6c n GLN 53 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 2p6c n ASP 54 N -1.59 1.65 0.07 1.08 5.68 -1.26 -1.10 116.55 121.08 2p6c n ASP 54 Ca -0.05 -1.69 0.12 0.00 -0.50 0.00 0.00 54.79 52.67 2p6c n ASP 54 Cb 0.25 -0.01 0.26 0.00 -1.14 0.00 0.00 41.12 40.48 2p6c n ASP 54 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2p6c n ASP 55 N -1.93 0.71 -4.68 -1.12 8.00 -1.26 -4.90 116.55 111.36 2p6c n ASP 55 Ca -0.01 0.26 -0.45 0.00 0.71 0.00 0.00 54.79 55.30 2p6c n ASP 55 Cb 0.23 -0.16 -0.04 0.00 -0.02 0.00 0.00 41.12 41.13 2p6c n ASP 55 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2p6c n GLU 56 N -2.12 2.42 -0.12 -1.24 0.00 -1.26 -4.88 120.64 113.44 2p6c n GLU 56 Ca 0.04 0.88 -0.09 0.00 0.00 0.00 0.00 57.16 58.00 2p6c n GLU 56 Cb 0.43 -2.71 -0.03 0.00 0.00 0.00 0.00 31.44 29.13 2p6c n GLU 56 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2p6c h GLU 57 N 7.56 -0.28 -0.92 5.31 4.81 -1.99 -1.83 114.58 127.24 2p6c h GLU 57 Ca -0.46 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.80 2p6c h GLU 57 Cb 1.24 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.64 2p6c h GLU 57 CO 0.93 -0.19 0.61 0.78 -0.73 0.00 0.00 179.01 180.41 2p6c h GLY 58 N -0.29 1.30 1.65 1.92 0.00 -2.00 -1.15 103.07 104.50 2p6c h GLY 58 Ca 0.16 -0.48 -0.11 0.00 0.00 0.00 0.00 47.33 46.90 2p6c h GLY 58 CO -0.56 0.46 -0.38 1.41 0.00 0.00 0.00 176.54 177.46 2p6c h LEU 59 N 1.23 0.41 -0.77 3.11 3.38 -1.79 0.42 115.31 121.29 2p6c h LEU 59 Ca 0.34 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 2p6c h LEU 59 Cb -0.11 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 2p6c h LEU 59 CO -0.08 0.76 0.24 0.45 0.09 0.00 0.00 178.44 179.89 2p6c h HIS 60 N 0.33 1.20 -0.42 1.13 3.86 -0.53 -0.99 115.15 119.72 2p6c h HIS 60 Ca 0.03 -0.12 -0.15 0.00 -1.16 0.00 0.00 60.37 58.98 2p6c h HIS 60 Cb 0.82 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 2p6c h HIS 60 CO 0.02 0.94 -0.31 1.49 0.86 0.00 0.00 177.93 180.93 2p6c h GLU 61 N 1.11 0.96 -0.89 2.45 4.81 -0.57 -2.82 114.58 119.63 2p6c h GLU 61 Ca 0.24 -0.46 0.04 0.00 -0.13 0.00 0.00 59.36 59.05 2p6c h GLU 61 Cb 0.30 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.63 2p6c h GLU 61 CO -0.01 1.13 0.58 -0.44 -0.73 0.00 0.00 179.01 179.54 2p6c h ASP 62 N 0.79 0.93 -0.27 1.04 3.32 -0.51 -1.94 116.42 119.79 2p6c h ASP 62 Ca 0.08 -0.01 -0.17 0.00 0.02 0.00 0.00 57.03 56.96 2p6c h ASP 62 Cb 0.90 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.23 2p6c h ASP 62 CO 0.08 0.63 -0.48 0.16 -1.72 0.00 0.00 179.24 177.92 2p6c h ILE 63 N 1.08 1.28 -0.53 0.35 3.07 -1.01 0.57 117.51 122.31 2p6c h ILE 63 Ca 0.36 -1.66 -0.03 0.00 1.55 0.00 0.00 64.86 65.08 2p6c h ILE 63 Cb 0.07 1.54 -0.02 0.00 -0.27 0.00 0.00 36.82 38.14 2p6c h ILE 63 CO -0.12 0.54 0.23 -0.50 -1.05 0.00 0.00 178.15 177.26 2p6c h TRP 64 N 0.66 0.79 -0.65 0.16 4.06 -1.23 0.10 115.95 119.85 2p6c h TRP 64 Ca 0.03 -0.05 -0.03 0.00 2.06 0.00 0.00 58.89 60.90 2p6c h TRP 64 Cb 1.06 -0.24 -0.03 0.00 -1.00 0.00 0.00 29.16 28.95 2p6c h TRP 64 CO 0.06 0.64 0.30 0.93 -3.56 0.00 0.00 178.44 176.81 2p6c h GLU 65 N 0.72 0.95 -0.24 0.49 5.08 -1.14 -0.52 114.58 119.93 2p6c h GLU 65 Ca 0.18 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 2p6c h GLU 65 Cb 0.17 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2p6c h GLU 65 CO -0.02 0.77 0.04 2.35 -1.00 0.00 0.00 179.01 181.16 2p6c h TRP 66 N 0.91 0.41 -0.35 4.33 7.01 -0.75 -0.46 115.95 127.05 2p6c h TRP 66 Ca 0.22 -0.06 0.07 0.00 2.11 0.00 0.00 58.89 61.23 2p6c h TRP 66 Cb 0.15 -0.11 -0.06 0.00 -2.10 0.00 0.00 29.16 27.03 2p6c h TRP 66 CO 0.01 0.51 -0.04 -0.07 -2.79 0.00 0.00 178.44 176.05 2p6c h LEU 67 N 0.20 -0.23 -1.02 0.65 3.38 -0.68 0.37 115.31 117.98 2p6c h LEU 67 Ca 0.07 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 2p6c h LEU 67 Cb 0.32 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2p6c h LEU 67 CO 0.00 -0.07 0.12 -0.08 0.09 0.00 0.00 178.44 178.50 2p6c h GLU 68 N 0.05 0.82 -0.33 1.13 4.57 -0.94 0.92 114.58 120.80 2p6c h GLU 68 Ca 0.17 -0.17 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 2p6c h GLU 68 Cb 0.25 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 2p6c h GLU 68 CO -0.32 0.75 0.02 -0.22 -1.18 0.00 0.00 179.01 178.06 2p6c h LYS 69 N 0.79 0.57 0.05 1.92 1.63 -0.49 -1.70 116.57 119.34 2p6c h LYS 69 Ca 0.17 -0.17 -0.27 0.00 -0.85 0.00 0.00 60.65 59.53 2p6c h LYS 69 Cb 0.31 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 2p6c h LYS 69 CO 0.00 0.68 -1.41 -0.07 -3.45 0.00 0.00 179.45 175.20 2p6c h LEU 70 N 0.39 0.17 -6.01 5.20 3.38 0.07 -3.40 115.31 115.11 2p6c h LEU 70 Ca 0.10 -0.24 -0.56 0.00 0.09 0.00 0.00 57.88 57.27 2p6c h LEU 70 Cb 0.41 -0.06 -0.40 0.00 0.09 0.00 0.00 40.66 40.70 2p6c h LEU 70 CO 0.01 1.20 -1.01 0.00 0.09 0.00 0.00 178.44 178.73 2p6c n ALA 71 N -2.54 2.74 -1.77 1.53 0.00 0.32 -5.07 120.51 115.71 2p6c n ALA 71 Ca -0.11 -3.68 -0.40 0.00 0.00 0.00 0.00 53.44 49.24 2p6c n ALA 71 Cb 1.01 -0.84 -0.02 0.00 0.00 0.00 0.00 19.45 19.60 2p6c n ALA 71 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2p6c s PRO 72 N -1.62 4.29 0.41 0.00 0.04 -0.64 -4.56 135.00 132.92 2p6c s PRO 72 Ca 0.37 2.02 -0.25 0.00 0.04 0.00 0.00 61.00 63.18 2p6c s PRO 72 Cb 0.19 -2.95 -0.11 0.00 0.04 0.00 0.00 34.50 31.67 2p6c s PRO 72 CO -0.09 -0.18 1.00 0.98 0.04 0.00 0.00 177.00 178.76 2p6c n TYR 73 N 0.60 1.15 -3.77 0.56 9.36 -1.26 -4.58 117.16 119.23 2p6c n TYR 73 Ca 0.01 0.57 -0.13 0.00 3.32 0.00 0.00 57.90 61.68 2p6c n TYR 73 Cb 0.44 -2.23 -0.11 0.00 -0.63 0.00 0.00 39.34 36.82 2p6c n TYR 73 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2p6c s ARG 74 N -1.96 0.42 0.38 2.98 0.52 -1.26 -5.04 118.95 114.98 2p6c s ARG 74 Ca 0.63 0.31 0.21 0.00 -0.52 0.00 0.00 55.73 56.36 2p6c s ARG 74 Cb -0.57 0.20 0.24 0.00 0.52 0.00 0.00 34.95 35.34 2p6c s ARG 74 CO 0.57 -0.07 1.50 -1.00 0.02 0.00 0.00 175.30 176.32 2p6c h PRO 75 N 5.33 0.00 -0.66 3.54 0.13 -1.94 -3.34 132.00 135.05 2p6c h PRO 75 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2p6c h PRO 75 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2p6c h PRO 75 CO 0.33 0.10 0.00 -0.40 -0.23 0.00 0.00 178.00 177.79 2p6c n ASP 76 N -3.07 4.41 -4.75 1.44 5.68 -1.26 -4.91 116.55 114.09 2p6c n ASP 76 Ca 0.03 -2.29 -0.37 0.00 -0.50 0.00 0.00 54.79 51.66 2p6c n ASP 76 Cb 0.58 -0.54 0.03 0.00 -1.14 0.00 0.00 41.12 40.05 2p6c n ASP 76 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 2p6c s TYR 77 N -1.54 2.40 0.46 2.11 2.02 -1.26 -4.85 117.35 116.70 2p6c s TYR 77 Ca 0.49 1.46 0.18 0.00 -0.37 0.00 0.00 57.07 58.83 2p6c s TYR 77 Cb 0.30 -3.61 1.17 0.00 -0.40 0.00 0.00 41.96 39.42 2p6c s TYR 77 CO 0.27 -2.42 2.04 0.87 -1.57 0.00 0.00 175.55 174.75 2p6c h LYS 78 N 1.27 0.00 -0.25 -0.62 1.79 -1.97 -1.25 116.57 115.55 2p6c h LYS 78 Ca -0.50 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.04 2p6c h LYS 78 Cb 1.29 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.93 2p6c h LYS 78 CO 0.57 0.14 0.29 1.25 -1.08 0.00 0.00 179.45 180.61 2p6c h HIS 79 N 0.00 0.00 0.00 -1.35 2.76 -1.89 -0.10 115.15 114.58 2p6c h HIS 79 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2p6c h HIS 79 Cb 0.26 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.22 2p6c h HIS 79 CO 0.00 0.00 0.00 1.58 -1.30 0.00 0.00 177.93 178.21 2p6c n HIS 80 N -3.71 0.00 0.28 5.26 -0.00 -0.47 -1.85 115.22 114.72 2p6c n HIS 80 Ca 0.03 0.00 0.17 0.00 -0.00 0.00 0.00 57.72 57.92 2p6c n HIS 80 Cb 0.42 -0.39 0.94 0.00 -0.00 0.00 0.00 29.99 30.96 2p6c n HIS 80 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.34 176.41 2p6c h ARG 81 N 0.00 0.00 -0.01 1.57 0.11 -1.20 0.23 114.38 115.08 2p6c h ARG 81 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2p6c h ARG 81 Cb 0.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.22 2p6c h ARG 81 CO 0.00 0.00 -0.02 0.25 0.10 0.00 0.00 179.97 180.30 2p6c n THR 82 N -3.65 0.00 -0.71 0.08 -2.24 -0.77 -4.88 114.28 102.12 2p6c n THR 82 Ca -0.01 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2p6c n THR 82 Cb 0.17 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 2p6c n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2p6c n GLY 83 N 1.13 1.31 3.72 3.38 0.00 0.81 -5.02 105.19 110.52 2p6c n GLY 83 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 2p6c n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2p6c s GLU 84 N -0.10 4.33 -0.43 1.61 2.02 -1.26 -4.98 118.70 119.89 2p6c s GLU 84 Ca 0.00 0.43 0.07 0.00 0.02 0.00 0.00 54.97 55.48 2p6c s GLU 84 Cb 0.00 -3.44 0.42 0.00 0.10 0.00 0.00 34.13 31.21 2p6c s GLU 84 CO 0.00 0.15 1.07 -0.40 0.02 0.00 0.00 175.26 176.10 2p6c n ASP 85 N 3.72 4.18 -1.09 -0.19 5.75 -1.26 -3.37 116.55 124.29 2p6c n ASP 85 Ca -0.07 -3.57 0.08 0.00 -0.01 0.00 0.00 54.79 51.22 2p6c n ASP 85 Cb 0.52 -0.48 0.28 0.00 -1.03 0.00 0.00 41.12 40.41 2p6c n ASP 85 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2p6c n ASN 86 N -0.39 4.19 -0.29 -1.12 6.94 -1.26 -4.69 115.26 118.63 2p6c n ASN 86 Ca 0.34 -2.89 0.12 0.00 -0.02 0.00 0.00 54.58 52.13 2p6c n ASN 86 Cb 0.66 -0.55 0.28 0.00 -2.36 0.00 0.00 39.78 37.81 2p6c n ASN 86 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 2p6c h GLY 87 N 2.33 1.33 1.80 4.83 0.00 -1.90 0.33 103.07 111.79 2p6c h GLY 87 Ca 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.31 2p6c h GLY 87 CO 0.25 -0.35 0.09 1.29 0.00 0.00 0.00 176.54 177.83 2p6c h ASP 88 N 0.22 0.07 -0.06 0.19 2.03 -1.84 -1.36 116.42 115.67 2p6c h ASP 88 Ca 0.54 -0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.75 2p6c h ASP 88 Cb 1.07 -0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 39.54 2p6c h ASP 88 CO -0.64 0.05 -0.22 0.00 -1.03 0.00 0.00 179.24 177.40 2p6c h ALA 89 N 1.93 1.15 -0.30 4.15 0.00 -0.62 -0.01 119.26 125.56 2p6c h ALA 89 Ca 0.06 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 2p6c h ALA 89 Cb 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2p6c h ALA 89 CO -0.01 0.54 -0.22 0.45 0.00 0.00 0.00 179.25 180.01 2p6c h HIS 90 N 0.42 0.79 -0.62 0.00 3.86 -1.15 -2.10 115.15 116.35 2p6c h HIS 90 Ca 0.07 -0.22 -0.04 0.00 -1.16 0.00 0.00 60.37 59.01 2p6c h HIS 90 Cb 0.62 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.89 2p6c h HIS 90 CO 0.02 0.94 0.22 -0.07 0.86 0.00 0.00 177.93 179.90 2p6c h LEU 91 N 0.42 0.88 -1.72 2.43 3.38 -1.17 -1.20 115.31 118.33 2p6c h LEU 91 Ca 0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2p6c h LEU 91 Cb 0.77 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2p6c h LEU 91 CO 0.06 0.83 0.08 0.11 0.09 0.00 0.00 178.44 179.60 2p6c h LYS 92 N 0.87 0.26 -0.38 1.13 1.57 -0.91 0.28 116.57 119.39 2p6c h LYS 92 Ca 0.20 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.81 2p6c h LYS 92 Cb 0.25 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2p6c h LYS 92 CO -0.01 0.22 -0.35 -0.97 -0.57 0.00 0.00 179.45 177.76 2p6c h ASN 93 N 0.26 0.97 0.03 0.86 -0.73 -0.65 -1.70 115.58 114.62 2p6c h ASN 93 Ca 0.07 -0.46 -0.00 0.00 1.87 0.00 0.00 56.30 57.78 2p6c h ASN 93 Cb 0.06 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 38.37 2p6c h ASN 93 CO -0.01 1.23 -0.02 -0.07 -0.37 0.00 0.00 177.43 178.20 2p6c h LEU 94 N 0.73 -0.04 0.00 0.34 3.38 -0.38 -1.00 115.31 118.34 2p6c h LEU 94 Ca 0.06 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.97 2p6c h LEU 94 Cb 0.95 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.65 2p6c h LEU 94 CO 0.09 0.07 -0.38 0.25 0.09 0.00 0.00 178.44 178.56 2p6c h LEU 95 N -0.14 -1.13 0.00 1.67 6.46 -0.90 -3.06 115.31 118.21 2p6c h LEU 95 Ca -0.00 0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 2p6c h LEU 95 Cb 0.13 0.45 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 2p6c h LEU 95 CO 0.01 -0.43 -0.22 0.71 -0.62 0.00 0.00 178.44 177.89 2p6c h THR 96 N -0.53 0.00 -1.29 1.05 1.35 -1.37 -3.50 112.91 108.62 2p6c h THR 96 Ca 0.05 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 2p6c h THR 96 Cb 0.62 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 2p6c h THR 96 CO -0.29 0.00 -0.30 1.57 -0.25 0.00 0.00 175.52 176.25 2p6c n HIS 97 N -2.46 -1.52 0.31 4.73 -0.00 -0.38 -4.81 115.22 111.10 2p6c n HIS 97 Ca 0.04 0.79 0.21 0.00 0.46 0.00 0.00 57.72 59.22 2p6c n HIS 97 Cb 0.47 -2.18 1.01 0.00 -0.12 0.00 0.00 29.99 29.17 2p6c n HIS 97 CO 0.00 0.00 0.00 1.37 0.46 0.00 0.00 176.34 178.17 2p6c h LEU 98 N 0.94 0.00 -8.59 0.27 -0.00 -1.83 -3.40 115.31 102.71 2p6c h LEU 98 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.88 57.58 2p6c h LEU 98 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 40.56 2p6c h LEU 98 CO 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 178.44 178.16 2p6c s GLN 99 N -3.95 1.80 0.01 0.17 -2.07 -1.23 -1.84 119.66 112.55 2p6c s GLN 99 Ca -0.03 -1.77 -0.11 0.00 -1.82 0.00 0.00 55.36 51.63 2p6c s GLN 99 Cb 0.11 0.41 0.01 0.00 -1.09 0.00 0.00 33.01 32.45 2p6c s GLN 99 CO 0.45 -0.72 0.24 0.14 -1.32 0.00 0.00 175.29 174.08 2p6c s VAL 100 N -3.29 0.08 -0.12 3.63 -7.23 -0.78 -4.84 120.40 107.85 2p6c s VAL 100 Ca 0.33 -0.64 0.02 0.00 -1.81 0.00 0.00 61.98 59.88 2p6c s VAL 100 Cb 0.01 -0.64 0.01 0.00 0.56 0.00 0.00 36.38 36.32 2p6c s VAL 100 CO 0.20 -0.35 -0.17 -0.69 -0.31 0.00 0.00 175.10 173.78 2p6c s VAL 101 N -1.68 1.67 0.10 1.32 1.01 -1.26 -1.41 120.40 120.14 2p6c s VAL 101 Ca -0.12 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 61.22 2p6c s VAL 101 Cb -0.05 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 2p6c s VAL 101 CO 0.01 0.47 -0.22 -0.76 0.00 0.00 0.00 175.10 174.60 2p6c s LEU 102 N 0.96 2.48 0.47 3.92 1.43 0.52 -4.92 118.68 123.53 2p6c s LEU 102 Ca -0.06 -0.61 -0.21 0.00 -1.03 0.00 0.00 54.13 52.22 2p6c s LEU 102 Cb -0.15 -1.39 -0.09 0.00 0.03 0.00 0.00 46.19 44.59 2p6c s LEU 102 CO -0.02 0.20 1.03 -2.16 0.23 0.00 0.00 176.35 175.63 2p6c s PRO 103 N -1.87 3.89 -0.21 1.29 0.05 -1.26 0.60 135.00 137.49 2p6c s PRO 103 Ca 0.15 1.36 -0.00 0.00 0.05 0.00 0.00 61.00 62.56 2p6c s PRO 103 Cb -0.10 -2.16 0.02 0.00 0.05 0.00 0.00 34.50 32.30 2p6c s PRO 103 CO 0.07 -0.36 -0.14 0.42 0.05 0.00 0.00 177.00 177.05 2p6c s ILE 104 N -1.95 2.48 -0.12 0.56 1.01 0.05 -1.02 121.20 122.20 2p6c s ILE 104 Ca 0.66 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 60.39 2p6c s ILE 104 Cb -0.16 -2.14 0.02 0.00 0.01 0.00 0.00 42.46 40.19 2p6c s ILE 104 CO 0.20 0.41 -0.13 -0.89 0.00 0.00 0.00 174.94 174.54 2p6c s THR 105 N 1.32 1.39 -1.40 2.92 2.01 0.85 -1.87 115.64 120.85 2p6c s THR 105 Ca 0.03 -0.54 -0.08 0.00 0.31 0.00 0.00 61.69 61.42 2p6c s THR 105 Cb -0.14 -1.31 0.04 0.00 0.01 0.00 0.00 72.50 71.09 2p6c s THR 105 CO -0.09 0.42 0.96 0.59 -0.69 0.00 0.00 174.62 175.82 2p6c n ASN 106 N 4.59 -3.95 -0.98 3.53 3.02 -0.92 -1.81 115.26 118.74 2p6c n ASN 106 Ca -0.17 -0.72 -0.10 0.00 -0.03 0.00 0.00 54.58 53.56 2p6c n ASN 106 Cb 0.50 -4.32 -0.03 0.00 -0.61 0.00 0.00 39.78 35.33 2p6c n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2p6c n GLY 107 N -1.68 0.62 2.94 7.41 0.00 -0.44 -5.01 105.19 109.04 2p6c n GLY 107 Ca -0.09 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 2p6c n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p6c s LYS 108 N -3.63 0.25 -0.10 1.61 1.02 -0.75 -4.84 119.74 113.31 2p6c s LYS 108 Ca 0.00 -0.29 -0.30 0.00 0.02 0.00 0.00 55.97 55.40 2p6c s LYS 108 Cb 0.00 -0.12 -0.08 0.00 -0.52 0.00 0.00 37.83 37.10 2p6c s LYS 108 CO 0.00 0.03 2.06 1.28 -0.92 0.00 0.00 175.35 177.80 2p6c n LEU 109 N 2.50 3.61 -4.56 3.17 4.77 -1.26 -0.11 117.00 125.12 2p6c n LEU 109 Ca -0.16 0.64 -0.43 0.00 -0.03 0.00 0.00 56.01 56.03 2p6c n LEU 109 Cb 0.58 -1.49 -0.01 0.00 -2.33 0.00 0.00 43.42 40.16 2p6c n LEU 109 CO 0.24 -0.21 1.76 -0.62 -1.33 0.00 0.00 177.39 177.23 2p6c s ASP 110 N 5.94 6.76 0.11 -1.43 -1.08 -0.19 -4.89 116.67 121.89 2p6c s ASP 110 Ca 0.95 -2.21 0.05 0.00 -0.52 0.00 0.00 52.55 50.82 2p6c s ASP 110 Cb -0.47 -2.56 -0.04 0.00 -1.46 0.00 0.00 42.92 38.39 2p6c s ASP 110 CO 0.42 -1.22 0.00 -0.76 0.52 0.00 0.00 175.17 174.13 2p6c s LEU 111 N 4.15 3.43 1.09 -1.34 1.43 -1.26 -4.57 118.68 121.61 2p6c s LEU 111 Ca 0.50 -0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 53.23 2p6c s LEU 111 Cb 0.02 -2.15 0.24 0.00 0.03 0.00 0.00 46.19 44.33 2p6c s LEU 111 CO 0.02 0.15 1.08 -0.83 0.23 0.00 0.00 176.35 177.00 2p6c s GLY 112 N -2.48 1.55 0.57 -3.19 0.00 -1.26 -4.92 107.32 97.59 2p6c s GLY 112 Ca 0.26 -0.47 0.29 0.00 0.00 0.00 0.00 44.72 44.80 2p6c s GLY 112 CO 0.18 0.24 2.22 -0.56 0.00 0.00 0.00 173.10 175.18 2p6c h PRO 113 N -2.25 0.00 0.00 2.90 0.13 -2.04 -3.20 132.00 127.54 2p6c h PRO 113 Ca -0.54 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2p6c h PRO 113 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2p6c h PRO 113 CO 0.51 0.02 0.00 0.91 -0.23 0.00 0.00 178.00 179.22 2p6c n TRP 114 N -3.84 0.00 -1.74 1.56 5.03 -1.26 -5.06 117.44 112.13 2p6c n TRP 114 Ca -0.03 0.00 -0.42 0.00 3.03 0.00 0.00 57.50 60.08 2p6c n TRP 114 Cb 0.11 0.00 -0.02 0.00 -1.03 0.00 0.00 31.31 30.37 2p6c n TRP 114 CO 0.00 0.00 0.00 1.04 -0.03 0.00 0.00 177.69 178.70 2p6c n GLN 115 N -0.55 2.66 -3.84 -0.99 6.02 -1.21 -4.38 117.38 115.09 2p6c n GLN 115 Ca 0.00 0.95 -0.13 0.00 -0.01 0.00 0.00 57.00 57.81 2p6c n GLN 115 Cb 0.01 -2.72 -0.14 0.00 1.02 0.00 0.00 30.24 28.40 2p6c n GLN 115 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2p6c s GLU 116 N -0.44 0.02 -0.11 -1.09 2.56 -0.26 -4.82 118.70 114.56 2p6c s GLU 116 Ca 0.65 0.08 -0.18 0.00 0.00 0.00 0.00 54.97 55.51 2p6c s GLU 116 Cb -0.51 -0.04 -0.04 0.00 2.00 0.00 0.00 34.13 35.54 2p6c s GLU 116 CO 0.48 -0.04 0.47 0.42 -0.56 0.00 0.00 175.26 176.04 2p6c s ILE 117 N 0.24 5.18 0.14 -3.70 1.01 -1.26 -1.96 121.20 120.85 2p6c s ILE 117 Ca -0.02 0.95 0.08 0.00 0.00 0.00 0.00 60.65 61.66 2p6c s ILE 117 Cb -0.03 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 2p6c s ILE 117 CO -0.01 0.34 -0.19 -0.36 0.00 0.00 0.00 174.94 174.72 2p6c s PHE 118 N 0.56 1.76 -0.38 3.97 0.40 0.26 -1.77 117.98 122.78 2p6c s PHE 118 Ca 0.26 -0.46 -0.13 0.00 -0.60 0.00 0.00 56.93 56.00 2p6c s PHE 118 Cb -0.15 -0.91 0.01 0.00 0.51 0.00 0.00 43.02 42.48 2p6c s PHE 118 CO 0.10 0.26 0.25 -0.47 0.70 0.00 0.00 175.22 176.07 2p6c s TYR 119 N -1.73 3.24 -0.51 0.36 5.04 0.44 -1.88 117.35 122.31 2p6c s TYR 119 Ca 0.11 -0.64 -0.16 0.00 -2.44 0.00 0.00 57.07 53.94 2p6c s TYR 119 Cb -0.07 -2.51 0.09 0.00 0.35 0.00 0.00 41.96 39.82 2p6c s TYR 119 CO 0.05 -0.56 0.49 0.00 -1.34 0.00 0.00 175.55 174.19 2p6c s ALA 120 N 1.65 3.55 -0.08 3.97 0.00 0.21 -1.19 121.76 129.87 2p6c s ALA 120 Ca 0.04 -2.21 -0.28 0.00 0.00 0.00 0.00 51.96 49.52 2p6c s ALA 120 Cb -0.19 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 2p6c s ALA 120 CO 0.09 -1.92 0.91 -2.00 0.00 0.00 0.00 175.76 172.84 2p6c s GLU 121 N 1.87 4.44 0.00 0.00 2.56 0.74 -1.55 118.70 126.76 2p6c s GLU 121 Ca 0.06 1.24 0.07 0.00 0.00 0.00 0.00 54.97 56.34 2p6c s GLU 121 Cb -0.25 -3.51 -0.07 0.00 2.00 0.00 0.00 34.13 32.29 2p6c s GLU 121 CO 0.06 -0.18 0.32 1.19 -0.56 0.00 0.00 175.26 176.10 2p6c n PHE 122 N 4.52 0.00 -2.78 5.30 3.72 -0.81 -1.50 117.46 125.91 2p6c n PHE 122 Ca 0.05 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.35 2p6c n PHE 122 Cb 0.50 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 39.11 2p6c n PHE 122 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2p6c n ASP 123 N -1.11 -2.10 -1.87 4.37 2.03 -0.34 -4.56 116.55 112.97 2p6c n ASP 123 Ca 0.01 -3.56 0.00 0.00 0.52 0.00 0.00 54.79 51.77 2p6c n ASP 123 Cb 0.12 1.64 0.00 0.00 -0.72 0.00 0.00 41.12 42.15 2p6c n ASP 123 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2p6c n GLY 124 N 0.59 1.02 2.18 0.27 0.00 0.19 -4.73 105.19 104.71 2p6c n GLY 124 Ca 0.09 -1.50 -0.05 0.00 0.00 0.00 0.00 46.02 44.56 2p6c n GLY 124 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2p6c n GLN 125 N 0.00 -0.42 -3.67 1.61 6.02 -1.02 -4.69 117.38 115.21 2p6c n GLN 125 Ca 0.00 0.65 -0.11 0.00 -0.01 0.00 0.00 57.00 57.53 2p6c n GLN 125 Cb 0.00 -4.36 -0.06 0.00 1.02 0.00 0.00 30.24 26.84 2p6c n GLN 125 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 2p6c s ARG 126 N -2.30 0.99 -0.05 -1.09 1.70 -1.26 -4.90 118.95 112.02 2p6c s ARG 126 Ca 0.00 -0.62 -0.30 0.00 -0.47 0.00 0.00 55.73 54.34 2p6c s ARG 126 Cb 0.00 0.43 -0.07 0.00 -0.57 0.00 0.00 34.95 34.74 2p6c s ARG 126 CO 0.00 -0.36 1.89 -2.14 -1.08 0.00 0.00 175.30 173.61 2p6c s PRO 127 N -3.35 3.96 0.02 3.89 0.02 -1.25 -4.15 135.00 134.14 2p6c s PRO 127 Ca 0.00 2.32 0.01 0.00 0.02 0.00 0.00 61.00 63.35 2p6c s PRO 127 Cb 0.01 -4.14 -0.01 0.00 0.02 0.00 0.00 34.50 30.38 2p6c s PRO 127 CO -0.09 -1.14 -0.05 0.15 -0.33 0.00 0.00 177.00 175.55 2p6c s LYS 128 N 4.67 0.36 0.24 5.54 1.02 0.55 -4.97 119.74 127.14 2p6c s LYS 128 Ca 0.85 -0.44 0.10 0.00 0.02 0.00 0.00 55.97 56.50 2p6c s LYS 128 Cb -0.37 -0.17 -0.04 0.00 -0.52 0.00 0.00 37.83 36.72 2p6c s LYS 128 CO 0.36 0.03 -0.10 1.03 -0.92 0.00 0.00 175.35 175.76 2p6c s ARG 129 N -0.90 2.00 -0.08 1.68 0.52 -1.26 -0.26 118.95 120.66 2p6c s ARG 129 Ca -0.07 -1.47 0.05 0.00 -0.52 0.00 0.00 55.73 53.72 2p6c s ARG 129 Cb -0.06 -2.04 -0.00 0.00 0.52 0.00 0.00 34.95 33.37 2p6c s ARG 129 CO -0.00 0.38 -0.23 0.08 0.02 0.00 0.00 175.30 175.55 2p6c s VAL 130 N -2.13 1.92 -0.13 3.52 1.01 0.93 -1.62 120.40 123.89 2p6c s VAL 130 Ca 0.28 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 61.22 2p6c s VAL 130 Cb -0.07 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 2p6c s VAL 130 CO 0.16 0.53 0.15 0.54 0.00 0.00 0.00 175.10 176.49 2p6c s VAL 131 N 0.14 5.46 -0.24 2.92 0.11 0.18 -0.05 120.40 128.92 2p6c s VAL 131 Ca -0.11 0.24 -0.03 0.00 -2.93 0.00 0.00 61.98 59.14 2p6c s VAL 131 Cb -0.16 -3.43 0.01 0.00 -1.53 0.00 0.00 36.38 31.27 2p6c s VAL 131 CO 0.06 0.57 -0.03 -0.63 -3.33 0.00 0.00 175.10 171.74 2p6c s ILE 132 N -0.70 3.23 -0.16 7.04 1.01 0.52 -1.38 121.20 130.75 2p6c s ILE 132 Ca 0.14 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.04 2p6c s ILE 132 Cb -0.12 -2.57 0.03 0.00 0.01 0.00 0.00 42.46 39.81 2p6c s ILE 132 CO 0.03 0.28 -0.13 -0.75 0.00 0.00 0.00 174.94 174.37 2p6c s LYS 133 N 1.41 2.18 -0.07 2.79 2.47 -0.07 -1.95 119.74 126.50 2p6c s LYS 133 Ca 0.03 -0.63 0.03 0.00 -1.56 0.00 0.00 55.97 53.84 2p6c s LYS 133 Cb -0.16 -2.18 -0.02 0.00 -1.46 0.00 0.00 37.83 34.02 2p6c s LYS 133 CO -0.03 -0.30 -0.15 0.42 0.16 0.00 0.00 175.35 175.45 2p6c s ILE 134 N 1.47 2.96 0.03 5.43 1.01 -0.04 -0.88 121.20 131.19 2p6c s ILE 134 Ca 0.03 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.95 2p6c s ILE 134 Cb -0.14 -2.18 -0.02 0.00 0.01 0.00 0.00 42.46 40.13 2p6c s ILE 134 CO -0.10 0.57 -0.05 0.27 0.00 0.00 0.00 174.94 175.63 2p6c s ILE 135 N -0.37 0.29 -5.00 2.92 -4.36 -0.98 -0.73 121.20 112.97 2p6c s ILE 135 Ca 0.04 -1.06 0.00 0.00 -0.26 0.00 0.00 60.65 59.36 2p6c s ILE 135 Cb -0.12 -0.51 0.00 0.00 1.25 0.00 0.00 42.46 43.08 2p6c s ILE 135 CO 0.02 -0.50 0.00 0.61 0.24 0.00 0.00 174.94 175.31 2p6c n GLY 136 N 1.40 0.36 0.00 6.27 0.00 -0.68 -1.46 105.19 111.08 2p6c n GLY 136 Ca -0.23 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.33 2p6c n GLY 136 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11