#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 4.10 0.02 2.12 1.02 0.15 -4.94 119.74 122.21 2p6c s LYS 2 Ca 0.00 0.69 -0.00 0.00 0.02 0.00 0.00 55.97 56.68 2p6c s LYS 2 Cb 0.00 -2.79 -0.02 0.00 -0.52 0.00 0.00 37.83 34.50 2p6c s LYS 2 CO 0.00 0.37 -0.02 0.00 -0.92 0.00 0.00 175.35 174.78 2p6c s ALA 3 N -1.61 0.09 -0.15 5.17 0.00 -1.26 -1.54 121.76 122.45 2p6c s ALA 3 Ca 0.44 -0.46 -0.10 0.00 0.00 0.00 0.00 51.96 51.85 2p6c s ALA 3 Cb -0.15 0.12 0.05 0.00 0.00 0.00 0.00 23.12 23.14 2p6c s ALA 3 CO 0.20 -0.13 0.37 -0.47 0.00 0.00 0.00 175.76 175.73 2p6c s TYR 4 N -1.15 -0.50 -0.04 0.00 5.04 -0.03 -4.98 117.35 115.69 2p6c s TYR 4 Ca -0.13 1.12 0.05 0.00 -2.44 0.00 0.00 57.07 55.67 2p6c s TYR 4 Cb -0.08 0.19 -0.01 0.00 0.35 0.00 0.00 41.96 42.42 2p6c s TYR 4 CO -0.01 -0.28 -0.19 0.99 -1.34 0.00 0.00 175.55 174.72 2p6c s THR 5 N 1.05 1.56 -0.04 4.34 2.01 -1.26 -0.96 115.64 122.34 2p6c s THR 5 Ca -0.07 -0.80 -0.08 0.00 0.31 0.00 0.00 61.69 61.04 2p6c s THR 5 Cb -0.07 -1.32 0.01 0.00 0.01 0.00 0.00 72.50 71.13 2p6c s THR 5 CO -0.08 0.44 0.20 -0.75 -0.69 0.00 0.00 174.62 173.74 2p6c s LYS 6 N -0.12 0.39 -0.09 4.92 2.47 -1.05 -5.02 119.74 121.25 2p6c s LYS 6 Ca -0.01 -0.03 0.02 0.00 -1.56 0.00 0.00 55.97 54.40 2p6c s LYS 6 Cb -0.11 0.17 -0.02 0.00 -1.46 0.00 0.00 37.83 36.42 2p6c s LYS 6 CO 0.02 -0.08 -0.16 0.71 0.16 0.00 0.00 175.35 175.99 2p6c s TYR 7 N -0.64 2.70 -0.13 4.03 2.02 -1.26 -0.77 117.35 123.30 2p6c s TYR 7 Ca -0.07 -0.56 -0.04 0.00 -0.37 0.00 0.00 57.07 56.03 2p6c s TYR 7 Cb -0.04 -1.73 -0.03 0.00 -0.40 0.00 0.00 41.96 39.75 2p6c s TYR 7 CO 0.01 -0.12 0.02 -0.51 -1.57 0.00 0.00 175.55 173.38 2p6c s LEU 8 N -0.03 3.63 -0.09 -1.29 1.43 0.80 -4.93 118.68 118.19 2p6c s LEU 8 Ca -0.04 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 2p6c s LEU 8 Cb -0.14 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 2p6c s LEU 8 CO 0.04 0.27 -0.10 -0.89 0.23 0.00 0.00 176.35 175.90 2p6c s THR 9 N -0.22 3.39 0.05 5.49 2.01 -1.26 -0.26 115.64 124.83 2p6c s THR 9 Ca 0.06 -0.58 0.06 0.00 0.31 0.00 0.00 61.69 61.54 2p6c s THR 9 Cb -0.12 -2.39 -0.02 0.00 0.01 0.00 0.00 72.50 69.97 2p6c s THR 9 CO 0.02 0.57 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.99 2p6c s PHE 10 N -0.39 1.42 -0.44 4.92 0.08 0.73 -4.95 117.98 119.35 2p6c s PHE 10 Ca 0.05 -0.38 0.05 0.00 0.12 0.00 0.00 56.93 56.77 2p6c s PHE 10 Cb -0.12 -0.83 0.17 0.00 -0.57 0.00 0.00 43.02 41.67 2p6c s PHE 10 CO 0.02 0.07 0.45 1.21 -0.10 0.00 0.00 175.22 176.87 2p6c s ASN 11 N -1.31 0.63 0.67 1.36 3.04 -1.26 -0.34 114.94 117.73 2p6c s ASN 11 Ca 0.03 -2.67 -0.15 0.00 0.04 0.00 0.00 52.86 50.11 2p6c s ASN 11 Cb -0.09 0.23 0.01 0.00 -1.54 0.00 0.00 41.25 39.86 2p6c s ASN 11 CO 0.02 -0.14 1.15 0.42 -3.04 0.00 0.00 177.10 175.50 2p6c s THR 12 N 0.32 2.90 0.09 -5.21 -4.23 -1.26 -4.77 115.64 103.48 2p6c s THR 12 Ca 0.32 0.44 0.18 0.00 -1.18 0.00 0.00 61.69 61.45 2p6c s THR 12 Cb 0.02 -2.98 0.12 0.00 1.34 0.00 0.00 72.50 71.00 2p6c s THR 12 CO -0.15 -0.24 1.67 0.50 -0.54 0.00 0.00 174.62 175.85 2p6c h LYS 13 N 0.03 0.00 -6.42 3.99 3.64 -1.97 -2.58 116.57 113.25 2p6c h LYS 13 Ca -0.47 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.28 2p6c h LYS 13 Cb 1.27 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 32.93 2p6c h LYS 13 CO 0.53 0.41 -0.76 0.15 -2.27 0.00 0.00 179.45 177.51 2p6c s LYS 14 N -3.44 1.81 0.20 1.90 1.02 -1.26 -4.85 119.74 115.12 2p6c s LYS 14 Ca 0.01 -1.49 -0.07 0.00 0.02 0.00 0.00 55.97 54.43 2p6c s LYS 14 Cb 0.10 -1.96 0.13 0.00 -0.52 0.00 0.00 37.83 35.58 2p6c s LYS 14 CO 0.70 0.39 1.67 0.00 -0.92 0.00 0.00 175.35 177.19 2p6c h ARG 15 N 2.74 1.03 -5.22 1.68 3.08 -1.87 -3.32 114.38 112.50 2p6c h ARG 15 Ca -0.45 -0.31 -0.67 0.00 0.07 0.00 0.00 59.98 58.62 2p6c h ARG 15 Cb 1.22 -0.10 -0.33 0.00 0.08 0.00 0.00 29.97 30.84 2p6c h ARG 15 CO 0.54 1.00 -0.87 1.03 -1.07 0.00 0.00 179.97 180.60 2p6c s ARG 16 N -5.03 2.94 -0.05 0.04 0.52 -1.26 0.31 118.95 116.42 2p6c s ARG 16 Ca -0.11 -0.84 -0.31 0.00 -0.52 0.00 0.00 55.73 53.95 2p6c s ARG 16 Cb 0.14 -2.29 0.07 0.00 0.52 0.00 0.00 34.95 33.39 2p6c s ARG 16 CO 0.85 0.09 0.69 -2.00 0.02 0.00 0.00 175.30 174.94 2p6c s GLU 17 N 0.57 1.05 -0.26 3.54 2.12 -0.81 -5.00 118.70 119.91 2p6c s GLU 17 Ca -0.14 0.24 -0.06 0.00 0.36 0.00 0.00 54.97 55.37 2p6c s GLU 17 Cb -0.17 0.50 -0.01 0.00 0.26 0.00 0.00 34.13 34.71 2p6c s GLU 17 CO 0.04 -0.33 0.05 -1.17 -0.54 0.00 0.00 175.26 173.31 2p6c s LEU 18 N -1.22 3.45 -0.15 2.70 2.96 -1.26 -0.67 118.68 124.50 2p6c s LEU 18 Ca -0.11 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.40 2p6c s LEU 18 Cb -0.00 -1.87 0.00 0.00 0.50 0.00 0.00 46.19 44.82 2p6c s LEU 18 CO 0.09 -0.08 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.23 2p6c s ILE 19 N 1.55 2.48 0.11 6.68 -1.09 0.18 -4.95 121.20 126.15 2p6c s ILE 19 Ca 0.05 -0.84 -0.31 0.00 -2.23 0.00 0.00 60.65 57.32 2p6c s ILE 19 Cb -0.16 -2.03 -0.08 0.00 -1.58 0.00 0.00 42.46 38.62 2p6c s ILE 19 CO 0.02 0.53 1.43 -0.13 -1.23 0.00 0.00 174.94 175.56 2p6c s ARG 20 N 0.77 4.29 -0.02 2.79 0.52 -1.26 -0.37 118.95 125.67 2p6c s ARG 20 Ca -0.07 2.12 0.03 0.00 -0.52 0.00 0.00 55.73 57.29 2p6c s ARG 20 Cb -0.16 -3.29 0.04 0.00 0.52 0.00 0.00 34.95 32.06 2p6c s ARG 20 CO 0.00 -0.50 0.82 0.44 0.02 0.00 0.00 175.30 176.09 2p6c n ILE 21 N 4.08 0.44 -0.14 1.52 -5.35 -0.63 -4.86 119.36 114.42 2p6c n ILE 21 Ca 0.12 -0.49 -0.07 0.00 -0.27 0.00 0.00 62.75 62.04 2p6c n ILE 21 Cb 0.42 0.60 0.01 0.00 -1.74 0.00 0.00 39.64 38.93 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 3.14 1.09 -0.16 7.28 2.02 -1.88 -1.60 112.91 122.80 2p6c h THR 22 Ca 0.00 -0.19 -0.05 0.00 0.77 0.00 0.00 66.41 66.94 2p6c h THR 22 Cb 1.02 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 2p6c h THR 22 CO 0.00 0.10 -0.13 0.44 0.37 0.00 0.00 175.52 176.30 2p6c h ASP 23 N 0.56 0.24 -0.48 4.18 3.32 -1.92 0.80 116.42 123.13 2p6c h ASP 23 Ca 0.16 -0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 2p6c h ASP 23 Cb -0.04 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 2p6c h ASP 23 CO -0.05 0.40 -0.03 -0.33 -1.72 0.00 0.00 179.24 177.51 2p6c h GLU 24 N 0.24 0.92 -0.31 3.56 3.07 -1.73 0.13 114.58 120.46 2p6c h GLU 24 Ca 0.05 -0.28 -0.12 0.00 -0.50 0.00 0.00 59.36 58.51 2p6c h GLU 24 Cb 0.38 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 2p6c h GLU 24 CO 0.02 0.93 -0.26 0.28 -1.40 0.00 0.00 179.01 178.58 2p6c h VAL 25 N 0.84 1.30 -0.80 3.13 2.07 -0.71 -2.24 116.25 119.84 2p6c h VAL 25 Ca 0.15 -1.41 -0.00 0.00 0.82 0.00 0.00 66.70 66.26 2p6c h VAL 25 Cb 0.54 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.80 2p6c h VAL 25 CO 0.03 0.46 0.50 0.11 0.02 0.00 0.00 177.57 178.68 2p6c h LYS 26 N 0.47 1.07 -0.53 1.57 1.57 -0.64 -0.07 116.57 120.01 2p6c h LYS 26 Ca 0.05 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 2p6c h LYS 26 Cb 0.82 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 2p6c h LYS 26 CO 0.07 0.74 0.15 -0.22 -0.57 0.00 0.00 179.45 179.61 2p6c h LYS 27 N 1.09 0.79 -0.24 3.15 3.64 -0.86 -1.25 116.57 122.89 2p6c h LYS 27 Ca 0.29 -0.15 -0.11 0.00 -1.27 0.00 0.00 60.65 59.41 2p6c h LYS 27 Cb -0.07 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 2p6c h LYS 27 CO -0.06 0.70 -0.31 0.00 -2.27 0.00 0.00 179.45 177.51 2p6c h ALA 28 N 1.40 1.02 -0.43 5.00 0.00 -0.69 -1.64 119.26 123.92 2p6c h ALA 28 Ca 0.17 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2p6c h ALA 28 Cb 0.25 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2p6c h ALA 28 CO -0.01 0.59 0.10 0.28 0.00 0.00 0.00 179.25 180.21 2p6c h VAL 29 N 0.42 1.24 -0.60 0.00 2.07 -0.20 -1.46 116.25 117.71 2p6c h VAL 29 Ca 0.05 -0.83 -0.09 0.00 0.82 0.00 0.00 66.70 66.66 2p6c h VAL 29 Cb 0.75 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 2p6c h VAL 29 CO 0.06 0.29 0.04 -0.08 0.02 0.00 0.00 177.57 177.90 2p6c h GLU 30 N 0.56 1.04 -0.14 1.57 4.81 -1.12 -2.75 114.58 118.54 2p6c h GLU 30 Ca 0.13 -0.31 -0.01 0.00 -0.13 0.00 0.00 59.36 59.04 2p6c h GLU 30 Cb 0.33 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2p6c h GLU 30 CO 0.00 1.00 0.03 0.93 -0.73 0.00 0.00 179.01 180.25 2p6c h GLU 31 N 0.94 0.20 0.00 1.92 5.08 -1.07 -2.31 114.58 119.33 2p6c h GLU 31 Ca 0.18 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.44 2p6c h GLU 31 Cb 0.50 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 2p6c h GLU 31 CO 0.02 0.19 -0.36 0.66 -1.00 0.00 0.00 179.01 178.52 2p6c h SER 32 N 0.20 0.00 -0.34 1.42 4.64 -0.97 -3.46 113.55 115.04 2p6c h SER 32 Ca 0.05 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.22 2p6c h SER 32 Cb 0.08 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.11 2p6c h SER 32 CO -0.00 0.36 -0.13 -0.62 -0.87 0.00 0.00 176.83 175.57 2p6c n GLU 33 N -3.52 -1.27 -2.49 4.77 1.02 -0.87 -4.92 120.64 113.35 2p6c n GLU 33 Ca -0.00 0.68 -0.41 0.00 -0.02 0.00 0.00 57.16 57.41 2p6c n GLU 33 Cb 0.50 -4.80 -0.04 0.00 -0.02 0.00 0.00 31.44 27.08 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 -1.88 3.65 -0.22 2.62 1.01 -1.26 -4.95 120.40 119.37 2p6c s VAL 34 Ca 0.00 1.55 -0.06 0.00 0.00 0.00 0.00 61.98 63.47 2p6c s VAL 34 Cb 0.00 -3.99 -0.18 0.00 0.00 0.00 0.00 36.38 32.21 2p6c s VAL 34 CO 0.00 0.32 -0.06 0.29 0.00 0.00 0.00 175.10 175.65 2p6c n LYS 35 N 1.73 0.65 -4.10 2.72 4.01 -1.24 -4.21 118.16 117.73 2p6c n LYS 35 Ca 0.01 0.25 -0.20 0.00 -0.51 0.00 0.00 58.31 57.85 2p6c n LYS 35 Cb 0.45 -1.59 -0.16 0.00 -0.51 0.00 0.00 35.03 33.22 2p6c n LYS 35 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2p6c s GLU 36 N -2.51 0.78 0.00 1.97 0.41 -1.26 -0.61 118.70 117.48 2p6c s GLU 36 Ca -0.32 -0.07 0.00 0.00 -0.41 0.00 0.00 54.97 54.17 2p6c s GLU 36 Cb 0.09 -0.85 0.00 0.00 -1.78 0.00 0.00 34.13 31.60 2p6c s GLU 36 CO 0.62 -0.11 0.00 0.41 -0.49 0.00 0.00 175.26 175.68 2p6c n GLY 37 N 4.20 -0.55 3.29 -1.39 0.00 -0.75 -1.62 105.19 108.37 2p6c n GLY 37 Ca -0.22 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 44.82 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 2.21 -0.25 0.99 1.43 -0.87 -0.99 118.68 121.20 2p6c s LEU 38 Ca 0.00 -0.60 -0.01 0.00 -1.03 0.00 0.00 54.13 52.49 2p6c s LEU 38 Cb 0.00 -1.05 0.08 0.00 0.03 0.00 0.00 46.19 45.25 2p6c s LEU 38 CO 0.00 0.16 0.03 0.00 0.23 0.00 0.00 176.35 176.78 2p6c s LEU 40 N 1.62 4.38 -0.19 0.00 2.96 0.24 -0.67 118.68 127.03 2p6c s LEU 40 Ca 0.02 0.89 -0.01 0.00 -0.22 0.00 0.00 54.13 54.81 2p6c s LEU 40 Cb -0.18 -2.64 0.05 0.00 0.50 0.00 0.00 46.19 43.92 2p6c s LEU 40 CO -0.13 0.17 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.35 2p6c s VAL 41 N -0.26 1.01 0.00 1.68 1.01 -0.55 -0.32 120.40 122.98 2p6c s VAL 41 Ca 0.25 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.51 2p6c s VAL 41 Cb -0.16 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 2p6c s VAL 41 CO 0.12 -0.02 -0.02 -0.55 0.00 0.00 0.00 175.10 174.63 2p6c s SER 42 N 1.65 0.26 0.23 3.32 0.15 -0.54 -2.05 113.70 116.72 2p6c s SER 42 Ca -0.01 -0.12 -0.30 0.00 0.70 0.00 0.00 55.95 56.22 2p6c s SER 42 Cb -0.17 -0.00 -0.09 0.00 -1.71 0.00 0.00 66.02 64.05 2p6c s SER 42 CO -0.07 -0.03 1.12 -0.55 1.20 0.00 0.00 173.24 174.91 2p6c s SER 43 N -0.32 7.23 0.00 5.45 0.15 -0.80 -0.88 113.70 124.53 2p6c s SER 43 Ca -0.02 2.22 0.19 0.00 0.70 0.00 0.00 55.95 59.04 2p6c s SER 43 Cb -0.02 -2.62 0.65 0.00 -1.71 0.00 0.00 66.02 62.32 2p6c s SER 43 CO -0.00 -0.21 1.48 0.23 1.20 0.00 0.00 173.24 175.94 2p6c n MET 44 N 1.75 1.79 -4.44 5.44 0.00 -0.53 -4.90 117.12 116.23 2p6c n MET 44 Ca 0.01 -1.20 -0.22 0.00 0.00 0.00 0.00 57.70 56.29 2p6c n MET 44 Cb 0.45 -1.38 -0.10 0.00 0.00 0.00 0.00 33.22 32.19 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 -1.72 2.05 -2.61 2.03 3.76 -1.26 -4.97 115.29 112.57 2p6c s HIS 45 Ca 0.31 -0.55 0.27 0.00 -0.15 0.00 0.00 55.06 54.94 2p6c s HIS 45 Cb 0.17 -1.06 0.85 0.00 1.11 0.00 0.00 32.58 33.64 2p6c s HIS 45 CO 0.25 0.46 1.63 1.28 -0.85 0.00 0.00 174.74 177.50 2p6c n LEU 46 N -0.58 1.85 -0.27 0.89 7.99 -1.26 -4.14 117.00 121.48 2p6c n LEU 46 Ca -0.06 -0.62 0.07 0.00 -0.01 0.00 0.00 56.01 55.39 2p6c n LEU 46 Cb 0.62 -0.00 0.12 0.00 -0.11 0.00 0.00 43.42 44.04 2p6c n LEU 46 CO 0.39 0.31 0.47 0.35 -1.51 0.00 0.00 177.39 177.39 2p6c n THR 47 N 0.45 1.51 -3.47 -5.08 -2.24 -1.26 -3.97 114.28 100.22 2p6c n THR 47 Ca 0.18 -1.92 -0.15 0.00 -2.27 0.00 0.00 64.05 59.88 2p6c n THR 47 Cb 0.41 -0.06 -0.04 0.00 -2.10 0.00 0.00 70.33 68.54 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 -2.54 -0.61 0.04 3.42 1.04 -1.26 -1.90 113.70 111.88 2p6c s SER 48 Ca 0.27 0.37 -0.01 0.00 0.48 0.00 0.00 55.95 57.06 2p6c s SER 48 Cb 0.24 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.90 2p6c s SER 48 CO 0.00 -0.78 -0.02 -0.44 0.98 0.00 0.00 173.24 172.99 2p6c s SER 49 N -1.94 0.39 -0.32 7.02 0.01 -0.36 -4.69 113.70 113.81 2p6c s SER 49 Ca -0.05 -0.81 -0.12 0.00 1.31 0.00 0.00 55.95 56.28 2p6c s SER 49 Cb -0.00 0.17 -0.03 0.00 0.21 0.00 0.00 66.02 66.37 2p6c s SER 49 CO -0.01 -0.50 0.23 -0.69 0.41 0.00 0.00 173.24 172.68 2p6c s VAL 50 N -3.08 5.29 0.28 3.43 1.01 -0.80 0.19 120.40 126.72 2p6c s VAL 50 Ca -0.01 -0.10 0.07 0.00 0.00 0.00 0.00 61.98 61.95 2p6c s VAL 50 Cb 0.02 -3.67 -0.06 0.00 0.00 0.00 0.00 36.38 32.68 2p6c s VAL 50 CO -0.07 0.06 -0.08 0.27 0.00 0.00 0.00 175.10 175.28 2p6c s ILE 51 N 1.74 1.78 -0.23 2.22 -4.36 -0.74 -3.69 121.20 117.92 2p6c s ILE 51 Ca 0.07 -2.17 -0.06 0.00 -0.26 0.00 0.00 60.65 58.23 2p6c s ILE 51 Cb -0.17 -2.40 -0.02 0.00 1.25 0.00 0.00 42.46 41.11 2p6c s ILE 51 CO 0.11 -0.34 0.03 -0.63 0.24 0.00 0.00 174.94 174.35 2p6c s ILE 52 N -2.93 3.98 0.12 8.37 1.01 -1.26 -0.38 121.20 130.12 2p6c s ILE 52 Ca 0.29 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.68 2p6c s ILE 52 Cb 0.02 -2.84 -0.01 0.00 0.01 0.00 0.00 42.46 39.64 2p6c s ILE 52 CO 0.12 0.38 0.09 0.00 0.00 0.00 0.00 174.94 175.53 2p6c n GLN 53 N 4.78 0.27 -4.03 2.79 1.13 -0.31 -4.91 117.38 117.10 2p6c n GLN 53 Ca -0.17 -1.19 -0.26 0.00 -1.94 0.00 0.00 57.00 53.44 2p6c n GLN 53 Cb 0.51 0.91 -0.04 0.00 0.11 0.00 0.00 30.24 31.73 2p6c n GLN 53 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 2p6c s ASP 54 N -1.84 4.55 0.39 1.08 1.47 -1.26 -0.37 116.67 120.69 2p6c s ASP 54 Ca 0.13 -1.18 0.21 0.00 1.18 0.00 0.00 52.55 52.89 2p6c s ASP 54 Cb 0.01 0.00 0.48 0.00 -0.34 0.00 0.00 42.92 43.07 2p6c s ASP 54 CO 0.09 -0.83 1.64 0.44 0.68 0.00 0.00 175.17 177.19 2p6c h ASP 55 N 1.09 0.00 -2.42 2.11 3.32 -1.95 -3.47 116.42 115.10 2p6c h ASP 55 Ca -0.40 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.06 2p6c h ASP 55 Cb 1.28 0.00 0.07 0.00 0.22 0.00 0.00 39.33 40.90 2p6c h ASP 55 CO 0.64 0.24 0.67 1.21 -1.72 0.00 0.00 179.24 180.28 2p6c n GLU 56 N -3.22 2.00 0.06 3.56 0.00 -1.26 -4.87 120.64 116.92 2p6c n GLU 56 Ca 0.02 0.72 -0.08 0.00 0.00 0.00 0.00 57.16 57.82 2p6c n GLU 56 Cb 0.56 -2.42 -0.12 0.00 0.00 0.00 0.00 31.44 29.46 2p6c n GLU 56 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 2p6c h GLU 57 N 4.95 0.02 -0.92 5.31 -0.00 -2.00 -2.67 114.58 119.28 2p6c h GLU 57 Ca -0.45 -0.04 0.06 0.00 -0.00 0.00 0.00 59.36 58.93 2p6c h GLU 57 Cb 1.27 0.02 -0.06 0.00 -0.00 0.00 0.00 28.75 29.98 2p6c h GLU 57 CO 0.81 1.00 0.60 0.78 -0.00 0.00 0.00 179.01 182.20 2p6c h GLY 58 N 2.89 1.34 1.55 1.06 0.00 -2.00 -1.40 103.07 106.52 2p6c h GLY 58 Ca -0.03 -0.43 -0.10 0.00 0.00 0.00 0.00 47.33 46.77 2p6c h GLY 58 CO 0.13 0.32 -0.26 1.41 0.00 0.00 0.00 176.54 178.14 2p6c h LEU 59 N 1.06 0.52 -0.68 3.11 3.38 -1.89 -0.33 115.31 120.50 2p6c h LEU 59 Ca 0.39 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 2p6c h LEU 59 Cb 0.17 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2p6c h LEU 59 CO -0.14 0.77 0.19 0.45 0.09 0.00 0.00 178.44 179.79 2p6c h HIS 60 N 0.45 1.12 -0.19 1.13 3.86 -0.96 -1.15 115.15 119.41 2p6c h HIS 60 Ca 0.06 -0.12 -0.15 0.00 -1.16 0.00 0.00 60.37 59.00 2p6c h HIS 60 Cb 0.69 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 2p6c h HIS 60 CO 0.02 0.91 -0.50 1.49 0.86 0.00 0.00 177.93 180.71 2p6c h GLU 61 N 1.00 0.52 -0.43 2.45 4.81 -0.82 -2.60 114.58 119.52 2p6c h GLU 61 Ca 0.22 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2p6c h GLU 61 Cb 0.34 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 2p6c h GLU 61 CO -0.00 0.90 0.28 -0.44 -0.73 0.00 0.00 179.01 179.02 2p6c h ASP 62 N 0.41 0.49 -0.27 1.04 3.32 -0.56 -1.68 116.42 119.18 2p6c h ASP 62 Ca 0.02 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 2p6c h ASP 62 Cb 1.02 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 2p6c h ASP 62 CO 0.09 0.36 -0.21 0.16 -1.72 0.00 0.00 179.24 177.93 2p6c h ILE 63 N 0.57 1.27 -0.70 0.35 3.07 -1.13 0.24 117.51 121.19 2p6c h ILE 63 Ca 0.16 -1.30 -0.01 0.00 1.55 0.00 0.00 64.86 65.25 2p6c h ILE 63 Cb -0.06 1.20 -0.03 0.00 -0.27 0.00 0.00 36.82 37.66 2p6c h ILE 63 CO -0.03 0.43 0.38 -0.50 -1.05 0.00 0.00 178.15 177.38 2p6c h TRP 64 N 0.65 0.97 -0.47 0.16 4.06 -1.23 0.29 115.95 120.37 2p6c h TRP 64 Ca 0.09 -0.03 -0.06 0.00 2.06 0.00 0.00 58.89 60.96 2p6c h TRP 64 Cb 0.71 -0.31 -0.02 0.00 -1.00 0.00 0.00 29.16 28.54 2p6c h TRP 64 CO 0.04 0.69 0.08 0.93 -3.56 0.00 0.00 178.44 176.61 2p6c h GLU 65 N 0.96 0.78 -0.41 0.49 5.08 -0.88 -2.15 114.58 118.45 2p6c h GLU 65 Ca 0.25 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2p6c h GLU 65 Cb 0.04 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2p6c h GLU 65 CO -0.04 0.79 0.13 2.35 -1.00 0.00 0.00 179.01 181.23 2p6c h TRP 66 N 0.65 0.66 -0.71 4.33 7.01 -0.06 -1.13 115.95 126.68 2p6c h TRP 66 Ca 0.14 -0.07 0.02 0.00 2.11 0.00 0.00 58.89 61.10 2p6c h TRP 66 Cb 0.39 -0.19 -0.04 0.00 -2.10 0.00 0.00 29.16 27.21 2p6c h TRP 66 CO 0.03 0.61 0.46 -0.07 -2.79 0.00 0.00 178.44 176.68 2p6c h LEU 67 N 0.52 0.77 -0.42 0.65 3.38 -0.33 0.96 115.31 120.83 2p6c h LEU 67 Ca 0.13 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.92 2p6c h LEU 67 Cb 0.26 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2p6c h LEU 67 CO -0.00 0.54 -0.57 -0.08 0.09 0.00 0.00 178.44 178.42 2p6c h GLU 68 N 0.91 0.67 -0.29 1.13 4.57 -1.23 0.86 114.58 121.19 2p6c h GLU 68 Ca 0.28 -0.43 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 2p6c h GLU 68 Cb -0.03 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 2p6c h GLU 68 CO -0.09 1.05 0.19 -0.22 -1.18 0.00 0.00 179.01 178.76 2p6c h LYS 69 N 0.51 0.38 0.10 1.92 3.64 -0.71 -0.09 116.57 122.32 2p6c h LYS 69 Ca 0.01 -0.02 -0.29 0.00 -1.27 0.00 0.00 60.65 59.07 2p6c h LYS 69 Cb 1.14 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 2p6c h LYS 69 CO 0.11 0.25 -1.44 -0.07 -2.27 0.00 0.00 179.45 176.04 2p6c h LEU 70 N 0.39 0.33 -6.06 5.20 3.38 -0.73 -3.39 115.31 114.42 2p6c h LEU 70 Ca 0.11 -0.43 -0.57 0.00 0.09 0.00 0.00 57.88 57.07 2p6c h LEU 70 Cb -0.04 -0.11 -0.40 0.00 0.09 0.00 0.00 40.66 40.20 2p6c h LEU 70 CO -0.02 1.36 -1.01 0.00 0.09 0.00 0.00 178.44 178.86 2p6c n ALA 71 N -2.60 2.75 -1.78 1.53 0.00 0.30 -5.08 120.51 115.63 2p6c n ALA 71 Ca -0.13 -3.64 -0.35 0.00 0.00 0.00 0.00 53.44 49.31 2p6c n ALA 71 Cb 1.03 -0.83 -0.01 0.00 0.00 0.00 0.00 19.45 19.65 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 -1.35 3.57 0.30 0.00 0.04 -0.05 -4.45 135.00 133.07 2p6c s PRO 72 Ca 0.36 1.60 -0.29 0.00 0.04 0.00 0.00 61.00 62.71 2p6c s PRO 72 Cb 0.16 -2.15 -0.10 0.00 0.04 0.00 0.00 34.50 32.45 2p6c s PRO 72 CO -0.10 -0.66 1.41 -0.47 0.04 0.00 0.00 177.00 177.22 2p6c s TYR 73 N -1.75 2.94 -0.03 0.56 5.04 -1.26 -4.58 117.35 118.27 2p6c s TYR 73 Ca 0.69 1.17 0.01 0.00 -2.44 0.00 0.00 57.07 56.50 2p6c s TYR 73 Cb -0.24 -3.82 0.02 0.00 0.35 0.00 0.00 41.96 38.27 2p6c s TYR 73 CO 0.28 -2.50 -0.04 1.03 -1.34 0.00 0.00 175.55 172.97 2p6c s ARG 74 N -1.15 0.66 0.38 4.97 0.52 -1.26 -5.04 118.95 118.02 2p6c s ARG 74 Ca 0.55 -0.10 0.20 0.00 -0.52 0.00 0.00 55.73 55.86 2p6c s ARG 74 Cb -0.42 -0.69 0.58 0.00 0.52 0.00 0.00 34.95 34.94 2p6c s ARG 74 CO 0.50 -0.04 1.68 -1.00 0.02 0.00 0.00 175.30 176.47 2p6c h PRO 75 N 6.90 0.00 -0.64 3.54 0.13 -1.95 -3.33 132.00 136.65 2p6c h PRO 75 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2p6c h PRO 75 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2p6c h PRO 75 CO 0.48 0.33 0.00 -0.40 -0.23 0.00 0.00 178.00 178.18 2p6c n ASP 76 N -3.36 4.58 -4.73 1.44 5.68 -1.26 -4.88 116.55 114.02 2p6c n ASP 76 Ca 0.01 -2.51 -0.37 0.00 -0.50 0.00 0.00 54.79 51.42 2p6c n ASP 76 Cb 0.54 -0.58 0.07 0.00 -1.14 0.00 0.00 41.12 40.01 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 -2.00 2.07 0.41 2.11 2.02 -1.25 -4.84 117.35 115.86 2p6c s TYR 77 Ca 0.47 1.50 0.12 0.00 -0.37 0.00 0.00 57.07 58.79 2p6c s TYR 77 Cb 0.32 -3.68 0.87 0.00 -0.40 0.00 0.00 41.96 39.07 2p6c s TYR 77 CO 0.20 -2.90 1.94 0.87 -1.57 0.00 0.00 175.55 174.09 2p6c h LYS 78 N 0.47 0.11 -0.57 -0.62 1.79 -1.97 -2.17 116.57 113.60 2p6c h LYS 78 Ca -0.51 -0.03 0.17 0.00 -2.18 0.00 0.00 60.65 58.10 2p6c h LYS 78 Cb 1.33 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.95 2p6c h LYS 78 CO 0.53 0.29 0.43 1.25 -1.08 0.00 0.00 179.45 180.87 2p6c h HIS 79 N 0.10 0.00 0.00 -1.35 2.76 -1.89 -0.76 115.15 114.01 2p6c h HIS 79 Ca 0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2p6c h HIS 79 Cb 0.38 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.34 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 -4.29 0.00 0.31 5.26 -0.00 -0.82 -2.01 115.22 113.68 2p6c n HIS 80 Ca 0.11 0.00 0.18 0.00 -0.00 0.00 0.00 57.72 58.01 2p6c n HIS 80 Cb 0.66 -0.43 0.98 0.00 -0.00 0.00 0.00 29.99 31.19 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 0.00 1.57 0.11 -1.34 0.17 114.38 114.89 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 0.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.15 2p6c h ARG 81 CO 0.00 0.03 -0.30 0.25 0.10 0.00 0.00 179.97 180.05 2p6c n THR 82 N -3.36 0.42 -0.20 0.08 -2.24 -0.85 -4.92 114.28 103.21 2p6c n THR 82 Ca -0.02 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2p6c n THR 82 Cb 0.14 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 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 1.34 0.64 3.72 3.38 0.00 0.58 -5.04 105.19 109.82 2p6c n GLY 83 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.76 4.34 -0.37 1.61 2.02 -1.26 -4.97 118.70 119.31 2p6c s GLU 84 Ca 0.00 0.47 0.06 0.00 0.02 0.00 0.00 54.97 55.51 2p6c s GLU 84 Cb 0.00 -3.44 0.45 0.00 0.10 0.00 0.00 34.13 31.23 2p6c s GLU 84 CO 0.00 0.14 1.25 -0.40 0.02 0.00 0.00 175.26 176.27 2p6c n ASP 85 N 3.74 5.13 -1.20 -0.19 5.75 -1.26 -3.53 116.55 124.99 2p6c n ASP 85 Ca -0.07 -3.75 0.03 0.00 -0.01 0.00 0.00 54.79 51.00 2p6c n ASP 85 Cb 0.52 -0.43 0.26 0.00 -1.03 0.00 0.00 41.12 40.44 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 -0.66 3.85 -0.28 -1.12 6.94 -1.26 -4.66 115.26 118.07 2p6c n ASN 86 Ca 0.44 -3.21 0.10 0.00 -0.02 0.00 0.00 54.58 51.89 2p6c n ASN 86 Cb 0.85 -0.61 0.25 0.00 -2.36 0.00 0.00 39.78 37.91 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 1.88 1.29 1.51 4.83 0.00 -1.92 0.12 103.07 110.78 2p6c h GLY 87 Ca 0.10 -0.10 0.02 0.00 0.00 0.00 0.00 47.33 47.35 2p6c h GLY 87 CO 0.37 -0.23 0.28 1.29 0.00 0.00 0.00 176.54 178.25 2p6c h ASP 88 N 0.34 0.42 0.03 0.19 2.03 -1.83 -1.31 116.42 116.29 2p6c h ASP 88 Ca 0.49 -0.01 -0.09 0.00 -0.73 0.00 0.00 57.03 56.69 2p6c h ASP 88 Cb 0.89 -0.10 -0.01 0.00 -0.83 0.00 0.00 39.33 39.28 2p6c h ASP 88 CO -0.52 0.29 -0.27 0.00 -1.03 0.00 0.00 179.24 177.71 2p6c h ALA 89 N 1.75 1.16 -0.37 4.15 0.00 -1.05 0.12 119.26 125.02 2p6c h ALA 89 Ca 0.17 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2p6c h ALA 89 Cb 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2p6c h ALA 89 CO -0.04 0.54 -0.05 0.45 0.00 0.00 0.00 179.25 180.15 2p6c h HIS 90 N 0.34 0.76 -0.56 0.00 3.86 -1.04 -1.31 115.15 117.20 2p6c h HIS 90 Ca 0.05 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.10 2p6c h HIS 90 Cb 0.66 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.91 2p6c h HIS 90 CO 0.02 0.81 0.30 -0.07 0.86 0.00 0.00 177.93 179.85 2p6c h LEU 91 N 0.50 0.71 -1.43 2.43 3.38 -0.97 -1.85 115.31 118.08 2p6c h LEU 91 Ca 0.10 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2p6c h LEU 91 Cb 0.54 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2p6c h LEU 91 CO 0.03 0.60 -0.16 0.11 0.09 0.00 0.00 178.44 179.12 2p6c h LYS 92 N 0.75 0.18 -0.38 1.13 1.57 -0.61 0.47 116.57 119.69 2p6c h LYS 92 Ca 0.20 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.86 2p6c h LYS 92 Cb 0.06 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2p6c h LYS 92 CO -0.03 0.35 -0.04 -0.97 -0.57 0.00 0.00 179.45 178.19 2p6c h ASN 93 N 0.17 0.69 -0.22 0.86 -0.73 -0.59 -1.76 115.58 114.00 2p6c h ASN 93 Ca 0.03 -0.33 -0.02 0.00 1.87 0.00 0.00 56.30 57.85 2p6c h ASN 93 Cb 0.39 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.78 2p6c h ASN 93 CO 0.02 0.86 0.06 0.25 -0.37 0.00 0.00 177.43 178.25 2p6c h LEU 94 N 0.50 0.33 -0.24 0.34 5.85 -0.66 -0.58 115.31 120.85 2p6c h LEU 94 Ca 0.10 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.66 2p6c h LEU 94 Cb 0.53 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.40 2p6c h LEU 94 CO 0.03 0.46 -0.27 0.25 -0.34 0.00 0.00 178.44 178.57 2p6c h LEU 95 N 0.18 -0.85 0.00 2.25 6.46 -0.82 -3.01 115.31 119.51 2p6c h LEU 95 Ca 0.07 0.15 0.00 0.00 -0.12 0.00 0.00 57.88 57.98 2p6c h LEU 95 Cb 0.26 0.39 0.00 0.00 -0.73 0.00 0.00 40.66 40.58 2p6c h LEU 95 CO -0.00 -0.30 -0.49 0.71 -0.62 0.00 0.00 178.44 177.74 2p6c h THR 96 N -0.27 0.00 -0.85 1.05 1.35 -1.33 -3.51 112.91 109.34 2p6c h THR 96 Ca 0.13 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 2p6c h THR 96 Cb 0.49 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 2p6c h THR 96 CO -0.40 0.00 -0.20 1.57 -0.25 0.00 0.00 175.52 176.24 2p6c n HIS 97 N -2.51 -1.01 0.31 4.73 -0.00 -0.23 -4.81 115.22 111.70 2p6c n HIS 97 Ca 0.03 0.53 0.19 0.00 0.46 0.00 0.00 57.72 58.93 2p6c n HIS 97 Cb 0.49 -1.85 0.96 0.00 -0.12 0.00 0.00 29.99 29.47 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 0.56 0.00 -8.54 0.27 -0.00 -1.84 -3.38 115.31 102.37 2p6c h LEU 98 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.88 57.61 2p6c h LEU 98 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 40.57 2p6c h LEU 98 CO 0.00 0.02 -0.24 0.00 -0.00 0.00 0.00 178.44 178.22 2p6c s GLN 99 N -4.00 1.82 0.03 0.17 -2.07 -1.24 -1.91 119.66 112.46 2p6c s GLN 99 Ca -0.03 -1.73 -0.13 0.00 -1.82 0.00 0.00 55.36 51.65 2p6c s GLN 99 Cb 0.12 0.42 0.02 0.00 -1.09 0.00 0.00 33.01 32.48 2p6c s GLN 99 CO 0.49 -0.74 0.28 0.14 -1.32 0.00 0.00 175.29 174.14 2p6c s VAL 100 N -3.25 0.08 -0.09 3.63 -7.23 -0.87 -4.87 120.40 107.80 2p6c s VAL 100 Ca 0.31 -0.69 0.02 0.00 -1.81 0.00 0.00 61.98 59.82 2p6c s VAL 100 Cb 0.00 -0.87 0.01 0.00 0.56 0.00 0.00 36.38 36.08 2p6c s VAL 100 CO 0.19 -0.38 -0.17 -0.69 -0.31 0.00 0.00 175.10 173.75 2p6c s VAL 101 N -2.34 1.53 0.15 1.32 1.01 -1.26 -1.49 120.40 119.33 2p6c s VAL 101 Ca -0.07 -0.69 0.11 0.00 0.00 0.00 0.00 61.98 61.34 2p6c s VAL 101 Cb -0.02 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 2p6c s VAL 101 CO -0.02 0.45 -0.25 -0.76 0.00 0.00 0.00 175.10 174.51 2p6c s LEU 102 N 0.73 2.38 0.46 3.92 1.43 0.16 -4.93 118.68 122.82 2p6c s LEU 102 Ca -0.12 -0.79 -0.20 0.00 -1.03 0.00 0.00 54.13 51.99 2p6c s LEU 102 Cb -0.16 -1.21 -0.10 0.00 0.03 0.00 0.00 46.19 44.75 2p6c s LEU 102 CO 0.02 0.16 0.97 -2.16 0.23 0.00 0.00 176.35 175.57 2p6c s PRO 103 N -2.31 4.09 -0.20 1.29 0.05 -1.26 0.31 135.00 136.97 2p6c s PRO 103 Ca 0.17 1.15 -0.00 0.00 0.05 0.00 0.00 61.00 62.36 2p6c s PRO 103 Cb -0.09 -2.15 0.02 0.00 0.05 0.00 0.00 34.50 32.32 2p6c s PRO 103 CO 0.08 -0.16 -0.14 0.42 0.05 0.00 0.00 177.00 177.25 2p6c s ILE 104 N -2.21 2.47 -0.11 0.56 1.01 -0.16 -0.75 121.20 122.01 2p6c s ILE 104 Ca 0.63 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 60.41 2p6c s ILE 104 Cb -0.11 -2.11 0.02 0.00 0.01 0.00 0.00 42.46 40.28 2p6c s ILE 104 CO 0.17 0.45 -0.10 -0.89 0.00 0.00 0.00 174.94 174.57 2p6c s THR 105 N 1.33 1.15 -1.37 2.92 2.01 0.57 -1.82 115.64 120.43 2p6c s THR 105 Ca 0.04 -0.40 -0.07 0.00 0.31 0.00 0.00 61.69 61.57 2p6c s THR 105 Cb -0.14 -1.12 0.03 0.00 0.01 0.00 0.00 72.50 71.28 2p6c s THR 105 CO -0.09 0.38 0.97 0.59 -0.69 0.00 0.00 174.62 175.78 2p6c n ASN 106 N 4.59 -3.84 -0.60 3.53 3.02 -0.51 -1.94 115.26 119.50 2p6c n ASN 106 Ca -0.16 -0.69 -0.08 0.00 -0.03 0.00 0.00 54.58 53.62 2p6c n ASN 106 Cb 0.51 -4.48 -0.03 0.00 -0.61 0.00 0.00 39.78 35.17 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 -1.65 0.97 2.98 7.41 0.00 0.22 -5.01 105.19 110.11 2p6c n GLY 107 Ca -0.11 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.50 0.36 -0.15 1.61 1.02 -0.82 -4.80 119.74 114.46 2p6c s LYS 108 Ca 0.00 -0.46 -0.30 0.00 0.02 0.00 0.00 55.97 55.24 2p6c s LYS 108 Cb 0.00 -0.18 -0.07 0.00 -0.52 0.00 0.00 37.83 37.06 2p6c s LYS 108 CO 0.00 0.03 2.13 1.28 -0.92 0.00 0.00 175.35 177.87 2p6c n LEU 109 N 2.13 3.43 -4.55 3.17 4.77 -1.26 -0.32 117.00 124.37 2p6c n LEU 109 Ca -0.19 0.47 -0.39 0.00 -0.03 0.00 0.00 56.01 55.88 2p6c n LEU 109 Cb 0.56 -1.51 -0.03 0.00 -2.33 0.00 0.00 43.42 40.11 2p6c n LEU 109 CO 0.23 -0.40 1.36 -0.62 -1.33 0.00 0.00 177.39 176.63 2p6c s ASP 110 N 6.86 5.95 -0.04 -1.43 -1.08 0.07 -4.89 116.67 122.11 2p6c s ASP 110 Ca 0.98 -0.61 0.03 0.00 -0.52 0.00 0.00 52.55 52.43 2p6c s ASP 110 Cb -0.44 -2.56 -0.03 0.00 -1.46 0.00 0.00 42.92 38.44 2p6c s ASP 110 CO 0.40 -1.97 -0.13 -0.76 0.52 0.00 0.00 175.17 173.23 2p6c s LEU 111 N 6.73 2.84 1.00 -1.34 1.43 -1.26 -4.53 118.68 123.56 2p6c s LEU 111 Ca 0.49 -0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 53.29 2p6c s LEU 111 Cb -0.06 -1.60 0.19 0.00 0.03 0.00 0.00 46.19 44.75 2p6c s LEU 111 CO 0.07 0.34 1.08 -0.83 0.23 0.00 0.00 176.35 177.24 2p6c s GLY 112 N -0.87 1.60 0.44 -3.19 0.00 -1.26 -4.90 107.32 99.13 2p6c s GLY 112 Ca 0.12 -0.04 0.23 0.00 0.00 0.00 0.00 44.72 45.03 2p6c s GLY 112 CO 0.02 0.53 1.79 -0.56 0.00 0.00 0.00 173.10 174.88 2p6c h PRO 113 N -1.99 0.28 0.00 2.90 0.13 -2.04 -3.12 132.00 128.15 2p6c h PRO 113 Ca -0.53 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2p6c h PRO 113 Cb 1.30 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2p6c h PRO 113 CO 0.52 0.18 0.00 0.91 -0.23 0.00 0.00 178.00 179.38 2p6c n TRP 114 N -4.51 0.00 -1.88 1.56 7.02 -1.26 -5.06 117.44 113.31 2p6c n TRP 114 Ca 0.25 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.31 2p6c n TRP 114 Cb 0.96 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.83 2p6c n TRP 114 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 2p6c s GLN 115 N -0.05 4.19 -0.01 -0.99 -0.21 -1.18 -4.36 119.66 117.05 2p6c s GLN 115 Ca 0.00 2.45 0.01 0.00 0.02 0.00 0.00 55.36 57.84 2p6c s GLN 115 Cb 0.00 -3.07 0.00 0.00 1.00 0.00 0.00 33.01 30.94 2p6c s GLN 115 CO 0.00 -0.55 -0.03 -2.00 -2.12 0.00 0.00 175.29 170.59 2p6c s GLU 116 N -0.28 0.30 -0.15 2.91 2.56 0.50 -4.82 118.70 119.71 2p6c s GLU 116 Ca 0.63 -0.10 -0.18 0.00 0.00 0.00 0.00 54.97 55.32 2p6c s GLU 116 Cb -0.45 -0.31 -0.04 0.00 2.00 0.00 0.00 34.13 35.33 2p6c s GLU 116 CO 0.44 0.04 0.49 0.42 -0.56 0.00 0.00 175.26 176.09 2p6c s ILE 117 N 0.09 5.16 0.20 -3.70 1.01 -1.26 -1.16 121.20 121.54 2p6c s ILE 117 Ca -0.01 0.94 0.10 0.00 0.00 0.00 0.00 60.65 61.68 2p6c s ILE 117 Cb -0.03 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 2p6c s ILE 117 CO -0.00 0.27 -0.19 -0.36 0.00 0.00 0.00 174.94 174.65 2p6c s PHE 118 N 1.05 2.00 -0.37 3.97 0.40 0.49 -1.60 117.98 123.93 2p6c s PHE 118 Ca 0.25 -0.43 -0.10 0.00 -0.60 0.00 0.00 56.93 56.04 2p6c s PHE 118 Cb -0.15 -0.95 0.03 0.00 0.51 0.00 0.00 43.02 42.45 2p6c s PHE 118 CO 0.10 0.46 0.19 -0.47 0.70 0.00 0.00 175.22 176.20 2p6c s TYR 119 N -2.23 3.24 -0.52 0.36 5.04 0.50 -1.80 117.35 121.94 2p6c s TYR 119 Ca 0.21 -0.98 -0.17 0.00 -2.44 0.00 0.00 57.07 53.69 2p6c s TYR 119 Cb -0.05 -2.42 0.09 0.00 0.35 0.00 0.00 41.96 39.93 2p6c s TYR 119 CO 0.09 -0.64 0.53 0.00 -1.34 0.00 0.00 175.55 174.19 2p6c s ALA 120 N 1.54 3.52 -0.07 3.97 0.00 0.13 -0.65 121.76 130.20 2p6c s ALA 120 Ca 0.02 -2.18 -0.26 0.00 0.00 0.00 0.00 51.96 49.54 2p6c s ALA 120 Cb -0.19 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 2p6c s ALA 120 CO 0.06 -1.99 0.81 -2.00 0.00 0.00 0.00 175.76 172.65 2p6c s GLU 121 N 2.03 4.44 -0.00 0.00 2.56 0.16 -1.22 118.70 126.66 2p6c s GLU 121 Ca 0.07 1.07 0.08 0.00 0.00 0.00 0.00 54.97 56.19 2p6c s GLU 121 Cb -0.25 -3.48 -0.10 0.00 2.00 0.00 0.00 34.13 32.30 2p6c s GLU 121 CO 0.07 -0.06 0.26 1.19 -0.56 0.00 0.00 175.26 176.16 2p6c n PHE 122 N 4.15 0.00 -2.86 5.30 3.72 -0.80 -1.92 117.46 125.05 2p6c n PHE 122 Ca 0.02 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.30 2p6c n PHE 122 Cb 0.51 -0.07 0.04 0.00 -0.94 0.00 0.00 39.48 39.01 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 -1.42 -1.72 -2.18 4.37 2.03 -0.61 -4.51 116.55 112.51 2p6c n ASP 123 Ca 0.00 -3.36 0.00 0.00 0.52 0.00 0.00 54.79 51.96 2p6c n ASP 123 Cb 0.15 1.20 0.00 0.00 -0.72 0.00 0.00 41.12 41.75 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 0.87 0.98 2.20 0.27 0.00 0.15 -4.78 105.19 104.88 2p6c n GLY 124 Ca 0.12 -1.49 -0.09 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 -0.66 -3.47 1.61 6.02 -0.97 -4.74 117.38 115.17 2p6c n GLN 125 Ca 0.00 0.58 -0.14 0.00 -0.01 0.00 0.00 57.00 57.43 2p6c n GLN 125 Cb 0.00 -4.52 -0.04 0.00 1.02 0.00 0.00 30.24 26.70 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 -3.75 1.16 -0.04 -1.09 1.70 -1.26 -4.90 118.95 110.78 2p6c s ARG 126 Ca 0.00 -0.15 -0.30 0.00 -0.47 0.00 0.00 55.73 54.81 2p6c s ARG 126 Cb 0.00 0.54 -0.07 0.00 -0.57 0.00 0.00 34.95 34.85 2p6c s ARG 126 CO 0.00 -0.45 1.86 -2.14 -1.08 0.00 0.00 175.30 173.48 2p6c s PRO 127 N -2.62 4.04 0.03 3.89 0.02 -1.25 -4.19 135.00 134.92 2p6c s PRO 127 Ca -0.04 2.34 0.01 0.00 0.02 0.00 0.00 61.00 63.33 2p6c s PRO 127 Cb -0.01 -4.11 -0.02 0.00 0.02 0.00 0.00 34.50 30.38 2p6c s PRO 127 CO -0.03 -1.05 -0.05 0.15 -0.33 0.00 0.00 177.00 175.70 2p6c s LYS 128 N 4.50 0.42 0.22 5.54 1.02 0.54 -4.95 119.74 127.03 2p6c s LYS 128 Ca 0.83 -0.74 0.10 0.00 0.02 0.00 0.00 55.97 56.18 2p6c s LYS 128 Cb -0.37 -0.01 -0.04 0.00 -0.52 0.00 0.00 37.83 36.88 2p6c s LYS 128 CO 0.36 -0.02 -0.15 1.03 -0.92 0.00 0.00 175.35 175.64 2p6c s ARG 129 N -1.82 1.84 -0.07 1.68 0.52 -1.26 -0.19 118.95 119.65 2p6c s ARG 129 Ca -0.11 -1.47 0.05 0.00 -0.52 0.00 0.00 55.73 53.68 2p6c s ARG 129 Cb -0.08 -1.98 -0.00 0.00 0.52 0.00 0.00 34.95 33.41 2p6c s ARG 129 CO -0.02 0.39 -0.22 0.08 0.02 0.00 0.00 175.30 175.56 2p6c s VAL 130 N -1.94 1.83 -0.08 3.52 1.01 0.64 -1.46 120.40 123.92 2p6c s VAL 130 Ca 0.25 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 2p6c s VAL 130 Cb -0.07 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 2p6c s VAL 130 CO 0.14 0.51 0.04 0.54 0.00 0.00 0.00 175.10 176.33 2p6c s VAL 131 N 0.10 4.58 -0.22 2.92 0.11 -0.06 -0.14 120.40 127.68 2p6c s VAL 131 Ca -0.09 -0.19 -0.01 0.00 -2.93 0.00 0.00 61.98 58.76 2p6c s VAL 131 Cb -0.15 -2.96 0.02 0.00 -1.53 0.00 0.00 36.38 31.77 2p6c s VAL 131 CO 0.05 0.58 -0.10 -0.63 -3.33 0.00 0.00 175.10 171.67 2p6c s ILE 132 N -0.95 2.68 -0.12 7.04 1.01 0.05 -1.47 121.20 129.45 2p6c s ILE 132 Ca 0.15 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 59.85 2p6c s ILE 132 Cb -0.12 -2.29 0.02 0.00 0.01 0.00 0.00 42.46 40.08 2p6c s ILE 132 CO 0.04 0.32 -0.12 -0.75 0.00 0.00 0.00 174.94 174.42 2p6c s LYS 133 N 1.33 2.01 -0.01 2.79 2.47 0.56 -2.51 119.74 126.38 2p6c s LYS 133 Ca 0.02 -0.46 0.06 0.00 -1.56 0.00 0.00 55.97 54.04 2p6c s LYS 133 Cb -0.15 -1.86 -0.02 0.00 -1.46 0.00 0.00 37.83 34.33 2p6c s LYS 133 CO -0.07 -0.19 -0.21 0.42 0.16 0.00 0.00 175.35 175.46 2p6c s ILE 134 N 1.40 2.52 0.01 5.43 1.01 -0.14 -0.59 121.20 130.84 2p6c s ILE 134 Ca 0.01 -1.01 -0.03 0.00 0.00 0.00 0.00 60.65 59.62 2p6c s ILE 134 Cb -0.13 -1.95 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 2p6c s ILE 134 CO -0.07 0.53 0.05 0.27 0.00 0.00 0.00 174.94 175.71 2p6c s ILE 135 N -0.72 0.08 -5.00 2.92 -4.36 -0.99 -0.85 121.20 112.29 2p6c s ILE 135 Ca 0.11 -0.67 0.00 0.00 -0.26 0.00 0.00 60.65 59.83 2p6c s ILE 135 Cb -0.10 -0.29 0.00 0.00 1.25 0.00 0.00 42.46 43.32 2p6c s ILE 135 CO 0.01 -0.37 0.00 0.61 0.24 0.00 0.00 174.94 175.43 2p6c n GLY 136 N 1.81 -0.03 0.27 6.27 0.00 -0.59 -2.05 105.19 110.86 2p6c n GLY 136 Ca -0.21 -1.48 0.03 0.00 0.00 0.00 0.00 46.02 44.36 2p6c n GLY 136 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11