#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1c s GLN 4 N 0.00 0.74 0.01 1.20 -0.21 -1.26 -4.24 119.66 115.91 3e1c s GLN 4 Ca 0.00 -1.10 -0.11 0.00 0.02 0.00 0.00 55.36 54.17 3e1c s GLN 4 Cb 0.00 -0.34 0.01 0.00 1.00 0.00 0.00 33.01 33.68 3e1c s GLN 4 CO 0.00 0.04 0.23 0.71 -2.12 0.00 0.00 175.29 174.14 3e1c s TYR 5 N -2.54 -0.04 0.04 0.91 1.51 -1.10 -5.01 117.35 111.13 3e1c s TYR 5 Ca 0.03 -0.05 -0.15 0.00 -1.01 0.00 0.00 57.07 55.89 3e1c s TYR 5 Cb -0.02 0.02 0.03 0.00 -0.11 0.00 0.00 41.96 41.87 3e1c s TYR 5 CO -0.02 -0.39 0.34 -0.47 -1.11 0.00 0.00 175.55 173.90 3e1c s TYR 6 N -1.89 -0.16 0.36 2.71 6.14 -1.26 -0.39 117.35 122.85 3e1c s TYR 6 Ca -0.10 0.08 -0.17 0.00 0.64 0.00 0.00 57.07 57.52 3e1c s TYR 6 Cb -0.04 0.13 0.05 0.00 0.42 0.00 0.00 41.96 42.52 3e1c s TYR 6 CO 0.00 -0.51 0.77 0.20 0.64 0.00 0.00 175.55 176.65 3e1c s GLY 7 N -1.96 0.25 0.04 8.97 0.00 -0.94 -2.59 107.32 111.08 3e1c s GLY 7 Ca -0.06 -0.64 -0.00 0.00 0.00 0.00 0.00 44.72 44.02 3e1c s GLY 7 CO -0.02 -0.25 -0.03 -1.59 0.00 0.00 0.00 173.10 171.20 3e1c s THR 8 N -2.72 0.19 0.25 0.90 2.01 -1.26 -1.75 115.64 113.26 3e1c s THR 8 Ca 0.14 -1.32 0.02 0.00 0.31 0.00 0.00 61.69 60.85 3e1c s THR 8 Cb -0.05 -0.84 -0.05 0.00 0.01 0.00 0.00 72.50 71.57 3e1c s THR 8 CO 0.10 -0.71 0.06 -0.83 -0.69 0.00 0.00 174.62 172.55 3e1c s GLY 9 N -2.11 1.68 -0.27 4.40 0.00 0.19 -4.12 107.32 107.08 3e1c s GLY 9 Ca -0.05 -1.84 -0.03 0.00 0.00 0.00 0.00 44.72 42.79 3e1c s GLY 9 CO -0.05 -1.63 0.18 0.50 0.00 0.00 0.00 173.10 172.09 3e1c s ARG 10 N -3.96 0.21 -0.28 2.90 3.00 -1.23 -1.14 118.95 118.45 3e1c s ARG 10 Ca 0.34 -0.31 -0.09 0.00 0.00 0.00 0.00 55.73 55.67 3e1c s ARG 10 Cb 0.07 -1.11 0.13 0.00 0.00 0.00 0.00 34.95 34.04 3e1c s ARG 10 CO 0.12 -0.95 0.60 0.50 0.00 0.00 0.00 175.30 175.57 3e1c s ARG 11 N 2.19 0.53 -0.79 3.54 3.52 0.49 -4.85 118.95 123.58 3e1c s ARG 11 Ca 0.08 1.34 -0.15 0.00 -0.13 0.00 0.00 55.73 56.87 3e1c s ARG 11 Cb -0.15 0.74 0.02 0.00 -1.56 0.00 0.00 34.95 34.00 3e1c s ARG 11 CO -0.30 -0.25 0.28 1.63 -0.81 0.00 0.00 175.30 175.85 3e1c n LYS 12 N 5.44 -0.67 0.00 5.12 5.02 -1.26 -2.58 118.16 129.22 3e1c n LYS 12 Ca -0.10 -0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.08 3e1c n LYS 12 Cb 0.49 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 3e1c n LYS 12 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3e1c n SER 13 N -1.11 0.98 -4.79 4.39 7.64 -1.26 -3.47 113.62 116.00 3e1c n SER 13 Ca -0.11 -1.01 -0.31 0.00 1.01 0.00 0.00 58.87 58.46 3e1c n SER 13 Cb 0.36 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.64 3e1c n SER 13 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3e1c s SER 14 N -0.01 4.71 0.00 6.43 1.04 -1.07 -4.92 113.70 119.89 3e1c s SER 14 Ca 0.00 1.64 0.00 0.00 0.48 0.00 0.00 55.95 58.07 3e1c s SER 14 Cb 0.00 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.71 3e1c s SER 14 CO 0.00 -1.88 0.00 0.00 0.98 0.00 0.00 173.24 172.34 3e1c n ALA 15 N -3.41 0.00 -2.61 5.32 0.00 -0.29 -0.38 120.51 119.14 3e1c n ALA 15 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.34 3e1c n ALA 15 Cb 0.54 -0.11 -0.12 0.00 0.00 0.00 0.00 19.45 19.77 3e1c n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3e1c s ALA 16 N -1.62 1.28 0.26 0.00 0.00 -1.21 -1.97 121.76 118.49 3e1c s ALA 16 Ca 0.00 -1.12 0.08 0.00 0.00 0.00 0.00 51.96 50.92 3e1c s ALA 16 Cb 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 3e1c s ALA 16 CO 0.00 0.13 -0.10 -0.98 0.00 0.00 0.00 175.76 174.80 3e1c s ARG 17 N -2.15 1.50 -0.17 0.00 1.70 -0.44 -0.64 118.95 118.75 3e1c s ARG 17 Ca 0.02 -1.73 -0.12 0.00 -0.47 0.00 0.00 55.73 53.44 3e1c s ARG 17 Cb -0.08 -1.23 0.05 0.00 -0.57 0.00 0.00 34.95 33.13 3e1c s ARG 17 CO 0.02 0.12 0.44 0.54 -1.08 0.00 0.00 175.30 175.34 3e1c s VAL 18 N -2.93 -0.01 -0.17 4.99 0.11 -0.72 -2.50 120.40 119.16 3e1c s VAL 18 Ca 0.27 0.05 0.01 0.00 -2.93 0.00 0.00 61.98 59.39 3e1c s VAL 18 Cb 0.01 -0.63 0.01 0.00 -1.53 0.00 0.00 36.38 34.25 3e1c s VAL 18 CO 0.11 0.02 -0.19 -0.36 -3.33 0.00 0.00 175.10 171.34 3e1c s PHE 19 N 0.94 2.76 0.20 1.54 0.08 0.16 -2.21 117.98 121.46 3e1c s PHE 19 Ca -0.06 -1.48 -0.29 0.00 0.12 0.00 0.00 56.93 55.22 3e1c s PHE 19 Cb -0.06 -1.90 -0.08 0.00 -0.57 0.00 0.00 43.02 40.41 3e1c s PHE 19 CO -0.08 -0.72 0.92 0.42 -0.10 0.00 0.00 175.22 175.66 3e1c s ILE 20 N 1.14 4.21 0.14 0.64 1.01 0.47 -2.00 121.20 126.82 3e1c s ILE 20 Ca 0.01 2.02 -0.00 0.00 0.00 0.00 0.00 60.65 62.68 3e1c s ILE 20 Cb -0.14 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 3e1c s ILE 20 CO -0.09 0.46 0.04 -0.54 0.00 0.00 0.00 174.94 174.82 3e1c s LYS 21 N -0.92 0.99 -0.26 2.79 1.02 0.11 -2.71 119.74 120.76 3e1c s LYS 21 Ca 0.41 -1.47 -0.28 0.00 0.02 0.00 0.00 55.97 54.66 3e1c s LYS 21 Cb -0.25 0.08 0.01 0.00 -0.52 0.00 0.00 37.83 37.15 3e1c s LYS 21 CO 0.31 -0.22 0.98 -1.25 -0.92 0.00 0.00 175.35 174.24 3e1c s PRO 22 N -4.01 4.17 0.42 -1.68 0.04 -1.26 -1.10 135.00 131.58 3e1c s PRO 22 Ca 0.24 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.42 3e1c s PRO 22 Cb 0.07 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.94 3e1c s PRO 22 CO 0.03 -0.67 0.00 0.41 0.04 0.00 0.00 177.00 176.81 3e1c n GLY 23 N 3.61 -2.26 3.66 0.56 0.00 -1.08 -4.74 105.19 104.93 3e1c n GLY 23 Ca 0.10 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.01 3e1c n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3e1c n ASN 24 N -4.33 0.00 0.00 1.61 3.02 -1.15 -3.97 115.26 110.44 3e1c n ASN 24 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 3e1c n ASN 24 Cb 0.68 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 3e1c n ASN 24 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3e1c n GLY 25 N -1.94 1.30 3.89 7.41 0.00 0.38 -4.88 105.19 111.36 3e1c n GLY 25 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3e1c n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3e1c s LYS 26 N -0.01 3.08 -0.36 1.61 1.02 -1.26 -4.80 119.74 119.01 3e1c s LYS 26 Ca 0.00 0.35 0.03 0.00 0.02 0.00 0.00 55.97 56.37 3e1c s LYS 26 Cb 0.00 -2.14 0.11 0.00 -0.52 0.00 0.00 37.83 35.28 3e1c s LYS 26 CO 0.00 -0.78 0.10 0.42 -0.92 0.00 0.00 175.35 174.18 3e1c s ILE 27 N -3.16 1.93 -0.38 2.17 1.01 -1.25 -1.08 121.20 120.44 3e1c s ILE 27 Ca 0.55 -2.26 -0.01 0.00 0.00 0.00 0.00 60.65 58.93 3e1c s ILE 27 Cb -0.11 -2.42 0.10 0.00 0.01 0.00 0.00 42.46 40.05 3e1c s ILE 27 CO 0.50 -0.66 0.13 -0.69 0.00 0.00 0.00 174.94 174.22 3e1c s VAL 28 N 0.88 2.99 -0.58 2.92 1.01 -0.46 -3.44 120.40 123.72 3e1c s VAL 28 Ca 0.12 -2.03 -0.21 0.00 0.00 0.00 0.00 61.98 59.87 3e1c s VAL 28 Cb -0.20 -3.03 0.07 0.00 0.00 0.00 0.00 36.38 33.22 3e1c s VAL 28 CO -0.10 -0.58 0.78 -0.63 0.00 0.00 0.00 175.10 174.56 3e1c s ILE 29 N 1.10 4.65 0.00 2.22 1.01 0.16 -0.70 121.20 129.64 3e1c s ILE 29 Ca 0.07 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.20 3e1c s ILE 29 Cb -0.21 -4.49 0.00 0.00 0.01 0.00 0.00 42.46 37.77 3e1c s ILE 29 CO -0.05 -1.11 0.00 -3.20 0.00 0.00 0.00 174.94 170.58 3e1c n ASN 30 N 6.79 0.00 -0.16 3.58 2.85 -0.09 -1.53 115.26 126.70 3e1c n ASN 30 Ca -0.06 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.41 3e1c n ASN 30 Cb 0.45 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.47 3e1c n ASN 30 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 3e1c n GLN 31 N 0.00 0.00 -4.24 1.20 -0.06 -1.26 -5.06 117.38 107.96 3e1c n GLN 31 Ca 0.00 -0.26 -0.13 0.00 -2.00 0.00 0.00 57.00 54.60 3e1c n GLN 31 Cb 0.00 -0.20 -0.10 0.00 -4.06 0.00 0.00 30.24 25.88 3e1c n GLN 31 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 3e1c s ARG 32 N 0.00 1.26 0.56 3.69 0.52 -0.59 -5.15 118.95 119.24 3e1c s ARG 32 Ca 0.00 -1.67 -0.07 0.00 -0.52 0.00 0.00 55.73 53.47 3e1c s ARG 32 Cb 0.00 0.10 -0.02 0.00 0.52 0.00 0.00 34.95 35.55 3e1c s ARG 32 CO 0.00 -0.35 0.89 -1.12 0.02 0.00 0.00 175.30 174.74 3e1c s SER 33 N -3.21 5.97 0.20 0.23 0.01 -1.26 -0.66 113.70 114.98 3e1c s SER 33 Ca 0.38 0.96 -0.11 0.00 1.31 0.00 0.00 55.95 58.49 3e1c s SER 33 Cb 0.07 -2.08 0.26 0.00 0.21 0.00 0.00 66.02 64.48 3e1c s SER 33 CO 0.12 -0.86 1.68 0.25 0.41 0.00 0.00 173.24 174.85 3e1c h LEU 34 N -0.08 -0.17 -2.71 2.44 5.85 -1.96 -2.62 115.31 116.06 3e1c h LEU 34 Ca -0.46 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.39 3e1c h LEU 34 Cb 1.22 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.47 3e1c h LEU 34 CO 0.62 -0.06 0.01 -0.33 -0.34 0.00 0.00 178.44 178.34 3e1c h GLU 35 N 0.16 0.00 0.00 1.25 5.08 -1.93 -1.34 114.58 117.80 3e1c h GLU 35 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3e1c h GLU 35 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3e1c h GLU 35 CO -0.45 0.00 -0.31 1.04 -1.00 0.00 0.00 179.01 178.28 3e1c n GLN 36 N -3.46 0.04 0.00 2.33 6.02 -0.99 -2.74 117.38 118.58 3e1c n GLN 36 Ca -0.03 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 3e1c n GLN 36 Cb 0.09 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 29.82 3e1c n GLN 36 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3e1c n TYR 37 N -1.59 0.00 -2.08 1.08 9.36 -0.54 -4.64 117.16 118.75 3e1c n TYR 37 Ca 0.06 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.22 3e1c n TYR 37 Cb 0.35 0.00 0.09 0.00 -0.63 0.00 0.00 39.34 39.15 3e1c n TYR 37 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 3e1c n PHE 38 N -1.84 1.15 0.30 2.98 3.01 -1.03 -5.00 117.46 117.03 3e1c n PHE 38 Ca 0.00 -1.69 0.14 0.00 1.01 0.00 0.00 57.45 56.90 3e1c n PHE 38 Cb 0.44 -0.26 0.69 0.00 -0.01 0.00 0.00 39.48 40.34 3e1c n PHE 38 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3e1c h GLY 39 N 1.66 0.00 0.00 1.37 0.00 -1.75 -2.24 103.07 102.11 3e1c h GLY 39 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3e1c h GLY 39 CO 0.31 0.00 -0.74 0.54 0.00 0.00 0.00 176.54 176.65 3e1c n ARG 40 N -2.93 1.62 -2.21 4.80 3.00 -1.26 -5.02 116.66 114.66 3e1c n ARG 40 Ca -0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.85 57.52 3e1c n ARG 40 Cb 0.51 -0.87 -0.04 0.00 0.00 0.00 0.00 32.46 32.06 3e1c n ARG 40 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 3e1c s GLU 41 N -1.48 2.90 0.34 5.56 8.01 -0.84 -4.87 118.70 128.33 3e1c s GLU 41 Ca 0.00 -1.16 0.10 0.00 0.01 0.00 0.00 54.97 53.92 3e1c s GLU 41 Cb 0.00 -5.28 0.35 0.00 -4.31 0.00 0.00 34.13 24.89 3e1c s GLU 41 CO 0.00 -3.37 0.66 0.25 0.01 0.00 0.00 175.26 172.82 3e1c n THR 42 N 7.45 0.00 0.35 3.63 -2.24 -1.26 -1.97 114.28 120.25 3e1c n THR 42 Ca 0.44 0.65 0.13 0.00 -2.27 0.00 0.00 64.05 63.00 3e1c n THR 42 Cb 0.47 -1.20 0.55 0.00 -2.10 0.00 0.00 70.33 68.05 3e1c n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3e1c h ALA 43 N 0.20 1.00 -1.03 6.98 0.00 -1.95 -3.44 119.26 121.03 3e1c h ALA 43 Ca 0.19 0.00 0.26 0.00 0.00 0.00 0.00 54.91 55.36 3e1c h ALA 43 Cb 1.46 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.17 3e1c h ALA 43 CO -0.00 0.00 0.67 -0.09 0.00 0.00 0.00 179.25 179.82 3e1c h ARG 44 N 0.00 0.37 -0.88 0.00 2.43 -1.73 -1.43 114.38 113.14 3e1c h ARG 44 Ca 0.00 -0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.26 3e1c h ARG 44 Cb 0.34 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.74 3e1c h ARG 44 CO 0.00 0.25 0.57 0.00 -1.51 0.00 0.00 179.97 179.27 3e1c h MET 45 N 0.38 0.79 0.00 0.20 -0.00 -1.90 -3.26 114.93 111.15 3e1c h MET 45 Ca 0.57 -0.05 0.00 0.00 -0.00 0.00 0.00 59.70 60.23 3e1c h MET 45 Cb 1.48 -0.18 0.00 0.00 -0.00 0.00 0.00 31.60 32.90 3e1c h MET 45 CO -0.27 0.52 0.15 -0.39 -0.00 0.00 0.00 176.91 176.92 3e1c h VAL 46 N 0.81 0.00 0.00 -0.10 -1.51 -1.65 -1.97 116.25 111.84 3e1c h VAL 46 Ca 0.42 0.00 -0.08 0.00 -1.23 0.00 0.00 66.70 65.81 3e1c h VAL 46 Cb 0.50 0.46 -0.01 0.00 -2.13 0.00 0.00 31.29 30.11 3e1c h VAL 46 CO -0.18 0.00 -1.16 -0.37 -1.23 0.00 0.00 177.57 174.63 3e1c h VAL 47 N 0.00 0.25 0.00 7.19 -1.51 -1.82 -3.39 116.25 116.98 3e1c h VAL 47 Ca 0.00 -1.50 -0.04 0.00 -1.23 0.00 0.00 66.70 63.93 3e1c h VAL 47 Cb 0.29 1.78 -0.01 0.00 -2.13 0.00 0.00 31.29 31.22 3e1c h VAL 47 CO 0.00 0.15 -1.55 -2.11 -1.23 0.00 0.00 177.57 172.82 3e1c n ARG 48 N -2.80 0.80 -0.02 5.19 1.85 -0.79 -4.71 116.66 116.18 3e1c n ARG 48 Ca -0.04 -0.08 -0.01 0.00 -1.00 0.00 0.00 57.85 56.72 3e1c n ARG 48 Cb 0.69 -1.26 -0.01 0.00 -1.05 0.00 0.00 32.46 30.83 3e1c n ARG 48 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 3e1c n GLN 49 N -2.00 -0.02 0.24 2.89 7.27 -0.93 -1.82 117.38 122.99 3e1c n GLN 49 Ca -0.05 0.99 0.16 0.00 0.07 0.00 0.00 57.00 58.17 3e1c n GLN 49 Cb 0.42 -1.48 0.80 0.00 2.41 0.00 0.00 30.24 32.38 3e1c n GLN 49 CO 0.00 0.00 0.00 -1.35 0.07 0.00 0.00 177.06 175.78 3e1c h PRO 50 N 0.00 0.00 0.00 3.69 0.11 -1.84 -3.01 132.00 130.95 3e1c h PRO 50 Ca 0.01 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.00 3e1c h PRO 50 Cb 0.02 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.11 3e1c h PRO 50 CO -0.05 0.00 -1.68 1.28 -0.21 0.00 0.00 178.00 177.33 3e1c n LEU 51 N -2.67 0.45 0.22 2.35 4.32 -0.98 -3.81 117.00 116.88 3e1c n LEU 51 Ca -0.01 0.19 0.15 0.00 -0.02 0.00 0.00 56.01 56.32 3e1c n LEU 51 Cb 0.13 0.10 0.62 0.00 -1.62 0.00 0.00 43.42 42.65 3e1c n LEU 51 CO 0.18 0.10 0.94 -0.33 -1.22 0.00 0.00 177.39 177.06 3e1c h GLU 52 N 0.00 0.00 0.67 3.23 5.08 -1.22 -3.03 114.58 119.32 3e1c h GLU 52 Ca -0.15 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 3e1c h GLU 52 Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 3e1c h GLU 52 CO 0.02 0.00 -0.36 1.25 -1.00 0.00 0.00 179.01 178.92 3e1c h LEU 53 N 0.00 -0.87 -1.59 1.33 5.85 -1.66 -3.32 115.31 115.05 3e1c h LEU 53 Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3e1c h LEU 53 Cb 0.42 0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.69 3e1c h LEU 53 CO 0.00 -0.58 0.00 1.33 -0.34 0.00 0.00 178.44 178.85 3e1c n VAL 54 N -4.66 0.24 -3.42 1.05 0.24 -1.22 -4.91 118.33 105.66 3e1c n VAL 54 Ca -0.12 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 61.96 3e1c n VAL 54 Cb 0.38 -0.50 0.01 0.00 -1.47 0.00 0.00 33.84 32.26 3e1c n VAL 54 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3e1c n ASP 55 N 0.59 -3.87 -0.23 -1.34 5.75 -1.24 -4.92 116.55 111.28 3e1c n ASP 55 Ca 0.00 -0.65 0.06 0.00 -0.01 0.00 0.00 54.79 54.19 3e1c n ASP 55 Cb 0.17 -1.25 0.32 0.00 -1.03 0.00 0.00 41.12 39.32 3e1c n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.11 0.00 0.00 177.20 177.06 3e1c h MET 56 N 0.31 0.82 -0.90 0.11 4.05 -1.81 -3.38 114.93 114.13 3e1c h MET 56 Ca -0.50 -0.05 0.18 0.00 -0.28 0.00 0.00 59.70 59.05 3e1c h MET 56 Cb 1.11 -0.18 -0.07 0.00 -0.80 0.00 0.00 31.60 31.66 3e1c h MET 56 CO 0.27 0.54 0.58 -0.24 0.23 0.00 0.00 176.91 178.29 3e1c h VAL 57 N 0.84 0.73 -0.15 -5.77 3.04 -1.87 0.38 116.25 113.45 3e1c h VAL 57 Ca 0.35 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.86 3e1c h VAL 57 Cb 0.27 0.17 0.00 0.00 -2.01 0.00 0.00 31.29 29.73 3e1c h VAL 57 CO -0.12 0.09 0.00 -0.62 -1.01 0.00 0.00 177.57 175.91 3e1c n GLU 58 N -4.54 1.57 0.05 4.17 -0.58 -1.26 -3.29 120.64 116.75 3e1c n GLU 58 Ca 0.19 -1.49 0.00 0.00 -0.42 0.00 0.00 57.16 55.44 3e1c n GLU 58 Cb 0.62 -1.20 0.00 0.00 -0.57 0.00 0.00 31.44 30.29 3e1c n GLU 58 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3e1c n LYS 59 N 0.42 0.00 -3.30 3.49 4.81 0.12 -4.23 118.16 119.47 3e1c n LYS 59 Ca 0.07 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.30 3e1c n LYS 59 Cb 0.31 -0.39 0.04 0.00 0.02 0.00 0.00 35.03 35.01 3e1c n LYS 59 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3e1c s LEU 60 N -6.59 2.97 -0.26 3.14 1.02 -0.48 -2.64 118.68 115.84 3e1c s LEU 60 Ca 0.00 -0.98 -0.23 0.00 0.02 0.00 0.00 54.13 52.94 3e1c s LEU 60 Cb 0.00 -1.48 0.07 0.00 0.02 0.00 0.00 46.19 44.79 3e1c s LEU 60 CO 0.00 -1.27 0.68 -0.62 0.02 0.00 0.00 176.35 175.15 3e1c s ASP 61 N -4.55 -0.73 -0.20 2.29 -1.08 -0.26 -0.47 116.67 111.67 3e1c s ASP 61 Ca 0.53 1.38 0.01 0.00 -0.52 0.00 0.00 52.55 53.95 3e1c s ASP 61 Cb -0.05 1.38 0.03 0.00 -1.46 0.00 0.00 42.92 42.82 3e1c s ASP 61 CO 0.33 -0.24 -0.16 -0.76 0.52 0.00 0.00 175.17 174.86 3e1c s LEU 62 N 0.50 2.48 -0.04 -1.34 1.02 -0.24 0.07 118.68 121.13 3e1c s LEU 62 Ca -0.01 -0.77 0.06 0.00 0.02 0.00 0.00 54.13 53.43 3e1c s LEU 62 Cb -0.05 -1.52 -0.01 0.00 0.02 0.00 0.00 46.19 44.63 3e1c s LEU 62 CO -0.01 -0.04 -0.23 -0.47 0.02 0.00 0.00 176.35 175.61 3e1c s TYR 63 N 1.27 2.18 0.05 0.29 6.14 -0.85 -1.36 117.35 125.07 3e1c s TYR 63 Ca 0.02 -0.55 0.03 0.00 0.64 0.00 0.00 57.07 57.21 3e1c s TYR 63 Cb -0.15 -1.42 -0.02 0.00 0.42 0.00 0.00 41.96 40.79 3e1c s TYR 63 CO -0.10 -0.13 -0.09 0.42 0.64 0.00 0.00 175.55 176.28 3e1c s ILE 64 N -0.29 0.67 -0.02 3.14 1.01 0.12 -0.66 121.20 125.16 3e1c s ILE 64 Ca 0.02 -1.09 -0.21 0.00 0.00 0.00 0.00 60.65 59.37 3e1c s ILE 64 Cb -0.11 -0.70 0.04 0.00 0.01 0.00 0.00 42.46 41.70 3e1c s ILE 64 CO 0.01 -0.32 0.47 0.42 0.00 0.00 0.00 174.94 175.52 3e1c s THR 65 N -1.29 0.04 -0.01 2.92 -4.23 -1.04 -0.91 115.64 111.12 3e1c s THR 65 Ca -0.08 -0.29 0.01 0.00 -1.18 0.00 0.00 61.69 60.16 3e1c s THR 65 Cb -0.10 -0.82 -0.00 0.00 1.34 0.00 0.00 72.50 72.93 3e1c s THR 65 CO 0.01 -0.16 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.19 3e1c s VAL 66 N -1.50 0.39 0.00 2.29 1.01 -1.26 -1.33 120.40 120.00 3e1c s VAL 66 Ca -0.11 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.67 3e1c s VAL 66 Cb -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 36.02 3e1c s VAL 66 CO 0.05 0.11 0.55 1.17 0.00 0.00 0.00 175.10 176.98 3e1c n LYS 67 N 3.01 0.28 -2.25 2.72 4.81 -0.83 -4.76 118.16 121.14 3e1c n LYS 67 Ca -0.13 -0.67 -0.02 0.00 -0.87 0.00 0.00 58.31 56.61 3e1c n LYS 67 Cb 0.58 -0.87 0.07 0.00 0.02 0.00 0.00 35.03 34.82 3e1c n LYS 67 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3e1c n GLY 68 N -0.13 0.66 6.02 3.14 0.00 -1.26 -5.05 105.19 108.57 3e1c n GLY 68 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3e1c n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e1c n GLY 69 N -0.83 0.55 2.21 -0.02 0.00 -1.26 -4.59 105.19 101.25 3e1c n GLY 69 Ca -0.11 0.68 -0.09 0.00 0.00 0.00 0.00 46.02 46.50 3e1c n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e1c n GLY 70 N 0.00 0.24 0.19 -0.02 0.00 -1.26 -4.60 105.19 99.74 3e1c n GLY 70 Ca 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 46.02 45.72 3e1c n GLY 70 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3e1c h ILE 71 N -0.98 0.63 -0.29 -0.61 -2.65 -1.90 0.25 117.51 111.97 3e1c h ILE 71 Ca -0.24 -0.03 0.08 0.00 1.03 0.00 0.00 64.86 65.70 3e1c h ILE 71 Cb 1.15 0.52 -0.01 0.00 -2.05 0.00 0.00 36.82 36.42 3e1c h ILE 71 CO 0.22 0.02 0.38 0.77 0.03 0.00 0.00 178.15 179.57 3e1c h SER 72 N 0.10 0.00 0.00 2.16 4.64 -1.93 -2.74 113.55 115.78 3e1c h SER 72 Ca 0.23 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.22 3e1c h SER 72 Cb 0.34 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.37 3e1c h SER 72 CO -0.39 0.00 -2.25 0.61 -0.87 0.00 0.00 176.83 173.92 3e1c n GLY 73 N -1.42 -0.63 0.34 -0.77 0.00 -0.46 -4.60 105.19 97.66 3e1c n GLY 73 Ca 0.04 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 45.97 3e1c n GLY 73 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3e1c h GLN 74 N 0.00 0.60 -0.19 1.61 4.15 -0.69 -0.71 115.11 119.87 3e1c h GLN 74 Ca -0.49 -0.04 0.06 0.00 0.77 0.00 0.00 58.65 58.95 3e1c h GLN 74 Cb 1.96 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 29.51 3e1c h GLN 74 CO -0.02 0.40 0.68 0.00 -1.93 0.00 0.00 178.83 177.96 3e1c h ALA 75 N 1.67 1.88 0.00 3.38 0.00 -1.80 -2.03 119.26 122.36 3e1c h ALA 75 Ca 0.58 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.39 3e1c h ALA 75 Cb 1.01 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3e1c h ALA 75 CO -0.44 -0.78 -1.50 0.41 0.00 0.00 0.00 179.25 176.94 3e1c n GLY 76 N -1.42 -0.40 0.36 0.00 0.00 -0.29 -3.96 105.19 99.49 3e1c n GLY 76 Ca 0.03 -0.16 0.05 0.00 0.00 0.00 0.00 46.02 45.95 3e1c n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3e1c h ALA 77 N 0.54 1.56 -0.31 4.61 0.00 -1.19 -2.13 119.26 122.33 3e1c h ALA 77 Ca -0.14 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 3e1c h ALA 77 Cb 1.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3e1c h ALA 77 CO 0.01 0.28 -0.12 0.97 0.00 0.00 0.00 179.25 180.38 3e1c h ILE 78 N 0.97 1.29 -0.35 0.00 6.09 -1.65 -2.16 117.51 121.70 3e1c h ILE 78 Ca 0.40 -1.21 0.04 0.00 -1.37 0.00 0.00 64.86 62.72 3e1c h ILE 78 Cb 0.29 1.41 -0.06 0.00 0.47 0.00 0.00 36.82 38.94 3e1c h ILE 78 CO -0.16 0.39 -0.37 -0.09 -3.07 0.00 0.00 178.15 174.85 3e1c h ARG 79 N 0.40 -0.20 -0.48 2.19 2.43 -1.55 0.13 114.38 117.31 3e1c h ARG 79 Ca 0.07 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.31 3e1c h ARG 79 Cb 0.64 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.19 3e1c h ARG 79 CO 0.04 -0.13 0.21 1.25 -1.51 0.00 0.00 179.97 179.83 3e1c h HIS 80 N -0.20 0.37 0.64 2.20 2.76 -1.46 -2.54 115.15 116.92 3e1c h HIS 80 Ca 0.06 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.22 3e1c h HIS 80 Cb 0.36 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 3e1c h HIS 80 CO -0.75 0.16 -0.42 0.78 -1.30 0.00 0.00 177.93 176.40 3e1c h GLY 81 N 0.41 -1.18 1.91 5.26 0.00 -1.16 -2.09 103.07 106.21 3e1c h GLY 81 Ca 0.22 0.49 -0.01 0.00 0.00 0.00 0.00 47.33 48.03 3e1c h GLY 81 CO -0.19 -0.40 0.01 1.19 0.00 0.00 0.00 176.54 177.15 3e1c h ILE 82 N -1.00 1.06 0.02 2.60 6.09 -0.82 -1.86 117.51 123.60 3e1c h ILE 82 Ca -0.09 -0.21 0.01 0.00 -1.37 0.00 0.00 64.86 63.20 3e1c h ILE 82 Cb 0.81 0.99 -0.01 0.00 0.47 0.00 0.00 36.82 39.07 3e1c h ILE 82 CO 0.07 0.07 -0.06 0.74 -3.07 0.00 0.00 178.15 175.90 3e1c h THR 83 N 0.12 0.85 -0.50 2.19 2.02 -1.47 -2.63 112.91 113.50 3e1c h THR 83 Ca 0.03 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.28 3e1c h THR 83 Cb 0.08 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 3e1c h THR 83 CO 0.00 0.00 0.34 0.03 0.37 0.00 0.00 175.52 176.26 3e1c h ARG 84 N -0.11 0.36 0.68 6.66 2.47 -0.61 -0.92 114.38 122.90 3e1c h ARG 84 Ca 0.02 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.68 3e1c h ARG 84 Cb 0.13 -0.08 0.01 0.00 -1.65 0.00 0.00 29.97 28.38 3e1c h ARG 84 CO -0.05 0.24 -0.33 0.00 0.56 0.00 0.00 179.97 180.39 3e1c h ALA 85 N 1.74 -0.92 -0.18 0.04 0.00 -1.21 -3.14 119.26 115.59 3e1c h ALA 85 Ca 0.22 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3e1c h ALA 85 Cb 0.40 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3e1c h ALA 85 CO -0.05 -0.87 0.24 -0.07 0.00 0.00 0.00 179.25 178.49 3e1c h LEU 86 N -1.20 0.00 0.00 0.00 3.38 -1.42 -2.74 115.31 113.32 3e1c h LEU 86 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3e1c h LEU 86 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3e1c h LEU 86 CO 0.15 0.00 0.00 0.23 0.09 0.00 0.00 178.44 178.91 3e1c n MET 87 N -3.65 0.19 0.00 1.13 2.81 -0.36 -2.35 117.12 114.89 3e1c n MET 87 Ca 0.02 0.15 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 3e1c n MET 87 Cb 0.35 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 3e1c n MET 87 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 3e1c n GLU 88 N -1.24 2.82 -0.21 0.03 2.13 -1.04 -4.70 120.64 118.43 3e1c n GLU 88 Ca 0.06 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.80 3e1c n GLU 88 Cb 0.08 -0.75 -0.02 0.00 0.27 0.00 0.00 31.44 31.01 3e1c n GLU 88 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 3e1c h TYR 89 N 0.00 -1.20 -1.37 4.31 5.03 -1.36 -3.44 116.97 118.95 3e1c h TYR 89 Ca 0.00 0.08 -0.07 0.00 2.58 0.00 0.00 58.73 61.32 3e1c h TYR 89 Cb 0.09 0.61 -0.25 0.00 1.55 0.00 0.00 36.73 38.73 3e1c h TYR 89 CO 0.00 -0.41 -0.44 0.34 -1.32 0.00 0.00 178.16 176.33 3e1c s ASP 90 N -5.17 -0.61 0.63 -2.11 3.68 -0.99 -5.04 116.67 107.07 3e1c s ASP 90 Ca -0.14 0.04 0.32 0.00 2.13 0.00 0.00 52.55 54.89 3e1c s ASP 90 Cb 0.14 1.59 1.73 0.00 -1.45 0.00 0.00 42.92 44.93 3e1c s ASP 90 CO 0.67 -0.32 2.03 -0.33 0.13 0.00 0.00 175.17 177.36 3e1c h GLU 91 N 8.08 0.00 -0.89 4.34 4.39 -1.84 -3.04 114.58 125.63 3e1c h GLU 91 Ca -0.08 0.00 0.17 0.00 0.34 0.00 0.00 59.36 59.79 3e1c h GLU 91 Cb 1.15 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.70 3e1c h GLU 91 CO 0.22 0.00 0.46 1.03 -1.16 0.00 0.00 179.01 179.56 3e1c h SER 92 N 0.00 0.52 -0.09 1.42 0.87 -1.96 -3.25 113.55 111.07 3e1c h SER 92 Ca 0.06 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 3e1c h SER 92 Cb 0.60 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 3e1c h SER 92 CO -0.00 0.18 0.00 0.00 -0.53 0.00 0.00 176.83 176.48 3e1c n LEU 93 N -4.90 0.70 -0.09 2.23 -0.00 -1.15 -3.92 117.00 109.88 3e1c n LEU 93 Ca 0.19 -0.31 0.12 0.00 -0.00 0.00 0.00 56.01 56.01 3e1c n LEU 93 Cb 0.51 -0.06 0.50 0.00 -0.00 0.00 0.00 43.42 44.37 3e1c n LEU 93 CO 0.19 0.16 1.19 0.03 -0.00 0.00 0.00 177.39 178.96 3e1c h ARG 94 N 0.89 0.41 -0.68 1.47 3.08 -1.79 -0.19 114.38 117.56 3e1c h ARG 94 Ca 0.00 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 3e1c h ARG 94 Cb 0.20 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 3e1c h ARG 94 CO 0.00 0.27 0.12 0.77 -1.07 0.00 0.00 179.97 180.06 3e1c h SER 95 N 0.42 1.07 0.09 7.04 0.02 -1.87 -2.29 113.55 118.03 3e1c h SER 95 Ca 0.28 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3e1c h SER 95 Cb 0.55 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.81 3e1c h SER 95 CO -0.08 1.05 -0.05 -0.33 -1.14 0.00 0.00 176.83 176.28 3e1c h GLU 96 N 1.05 -0.12 -0.96 3.45 4.39 -1.55 -2.44 114.58 118.39 3e1c h GLU 96 Ca 0.21 0.01 0.11 0.00 0.34 0.00 0.00 59.36 60.02 3e1c h GLU 96 Cb 0.43 0.03 -0.07 0.00 -0.10 0.00 0.00 28.75 29.03 3e1c h GLU 96 CO 0.01 0.31 0.62 -0.07 -1.16 0.00 0.00 179.01 178.72 3e1c h LEU 97 N -0.61 0.89 -0.10 1.33 3.38 -1.12 -2.03 115.31 117.05 3e1c h LEU 97 Ca -0.01 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3e1c h LEU 97 Cb 0.49 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3e1c h LEU 97 CO 0.02 0.50 -0.28 -0.09 0.09 0.00 0.00 178.44 178.68 3e1c h ARG 98 N 0.97 0.37 -0.04 1.13 9.65 -1.48 0.13 114.38 125.11 3e1c h ARG 98 Ca 0.46 -0.26 -0.11 0.00 -1.10 0.00 0.00 59.98 58.96 3e1c h ARG 98 Cb 0.43 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.04 3e1c h ARG 98 CO -0.22 0.88 -0.51 -0.22 2.80 0.00 0.00 179.97 182.70 3e1c h LYS 99 N -0.07 0.10 -0.14 0.20 3.64 -1.22 -1.21 116.57 117.87 3e1c h LYS 99 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3e1c h LYS 99 Cb 0.89 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 3e1c h LYS 99 CO 0.06 0.58 0.00 0.00 -2.27 0.00 0.00 179.45 177.82 3e1c n ALA 100 N -2.45 2.53 0.00 5.00 0.00 -0.78 -4.97 120.51 119.84 3e1c n ALA 100 Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.03 3e1c n ALA 100 Cb 0.53 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.86 3e1c n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3e1c n GLY 101 N 0.99 1.43 0.12 0.00 0.00 -0.46 -4.86 105.19 102.42 3e1c n GLY 101 Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.22 3e1c n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3e1c n PHE 102 N -1.92 0.41 0.12 1.61 3.01 0.35 -0.23 117.46 120.81 3e1c n PHE 102 Ca 0.00 0.22 0.09 0.00 1.01 0.00 0.00 57.45 58.77 3e1c n PHE 102 Cb 0.00 -0.72 0.02 0.00 -0.01 0.00 0.00 39.48 38.78 3e1c n PHE 102 CO 0.00 0.00 0.00 -0.24 1.01 0.00 0.00 176.76 177.53 3e1c h VAL 103 N 0.00 0.13 -3.94 -4.37 3.04 -1.60 -3.41 116.25 106.10 3e1c h VAL 103 Ca 0.00 -1.22 -0.50 0.00 -1.01 0.00 0.00 66.70 63.97 3e1c h VAL 103 Cb 0.35 1.74 0.04 0.00 -2.01 0.00 0.00 31.29 31.41 3e1c h VAL 103 CO 0.00 0.07 0.46 0.42 -1.01 0.00 0.00 177.57 177.51 3e1c s THR 104 N -3.24 3.42 -0.00 3.17 -4.23 0.68 -4.97 115.64 110.46 3e1c s THR 104 Ca 0.01 1.16 0.00 0.00 -1.18 0.00 0.00 61.69 61.68 3e1c s THR 104 Cb 0.08 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.29 3e1c s THR 104 CO 0.77 0.07 -0.00 -0.60 -0.54 0.00 0.00 174.62 174.31 3e1c s ARG 105 N -2.33 0.05 -0.14 3.99 3.00 -1.26 -4.78 118.95 117.48 3e1c s ARG 105 Ca 0.57 -0.01 -0.36 0.00 -1.00 0.00 0.00 55.73 54.93 3e1c s ARG 105 Cb -0.27 -0.07 -0.13 0.00 0.00 0.00 0.00 34.95 34.48 3e1c s ARG 105 CO 0.34 0.00 1.84 -0.25 0.00 0.00 0.00 175.30 177.23 3e1c n ASP 106 N 3.14 3.14 0.00 -2.12 9.92 -1.26 -4.80 116.55 124.56 3e1c n ASP 106 Ca -0.13 1.00 0.00 0.00 -0.53 0.00 0.00 54.79 55.13 3e1c n ASP 106 Cb 0.59 -1.30 0.00 0.00 -0.64 0.00 0.00 41.12 39.77 3e1c n ASP 106 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3e1c n ALA 107 N 6.25 0.00 -2.88 2.24 0.00 -1.26 -5.15 120.51 119.71 3e1c n ALA 107 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.34 3e1c n ALA 107 Cb 0.25 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.59 3e1c n ALA 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3e1c s ARG 108 N 0.00 3.71 0.06 0.00 6.06 -1.26 -5.11 118.95 122.40 3e1c s ARG 108 Ca 0.00 -0.45 0.07 0.00 -2.50 0.00 0.00 55.73 52.85 3e1c s ARG 108 Cb 0.00 -3.00 -0.03 0.00 0.06 0.00 0.00 34.95 31.98 3e1c s ARG 108 CO 0.00 0.30 -0.18 -0.65 -2.50 0.00 0.00 175.30 172.27 3e1c s GLN 109 N 0.24 2.02 -1.40 5.12 -0.21 -1.26 -5.07 119.66 119.10 3e1c s GLN 109 Ca -0.00 -1.02 -0.09 0.00 0.02 0.00 0.00 55.36 54.27 3e1c s GLN 109 Cb -0.13 -2.18 0.08 0.00 1.00 0.00 0.00 33.01 31.78 3e1c s GLN 109 CO 0.02 0.53 2.30 0.28 -2.12 0.00 0.00 175.29 176.30 3e1c n VAL 110 N 1.40 4.43 -3.69 1.09 0.31 -1.26 -4.65 118.33 115.95 3e1c n VAL 110 Ca -0.16 -3.75 -0.27 0.00 -0.01 0.00 0.00 64.34 60.14 3e1c n VAL 110 Cb 0.52 -2.38 -0.03 0.00 -0.91 0.00 0.00 33.84 31.05 3e1c n VAL 110 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3e1c n GLU 111 N 3.63 -2.63 -0.55 5.55 0.28 -1.26 -4.88 120.64 120.79 3e1c n GLU 111 Ca 0.56 0.30 -0.29 0.00 -0.16 0.00 0.00 57.16 57.57 3e1c n GLU 111 Cb 0.31 -4.95 0.26 0.00 1.43 0.00 0.00 31.44 28.49 3e1c n GLU 111 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 3e1c s ARG 112 N -6.34 -1.67 0.42 3.44 1.04 -1.26 -1.06 118.95 113.51 3e1c s ARG 112 Ca 0.52 0.49 -0.25 0.00 -1.04 0.00 0.00 55.73 55.45 3e1c s ARG 112 Cb -0.29 -1.49 -0.10 0.00 -2.04 0.00 0.00 34.95 31.03 3e1c s ARG 112 CO 0.63 -4.13 1.12 0.36 -0.04 0.00 0.00 175.30 173.24 3e1c n LYS 113 N -5.16 1.60 0.00 3.89 2.85 0.30 -4.60 118.16 117.04 3e1c n LYS 113 Ca 0.07 0.57 0.00 0.00 -1.05 0.00 0.00 58.31 57.90 3e1c n LYS 113 Cb 0.57 -2.18 0.00 0.00 -0.65 0.00 0.00 35.03 32.77 3e1c n LYS 113 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3e1c n LYS 114 N 0.11 2.25 0.09 -1.58 5.02 -1.26 -5.02 118.16 117.76 3e1c n LYS 114 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 3e1c n LYS 114 Cb 0.39 -0.65 0.00 0.00 -0.02 0.00 0.00 35.03 34.75 3e1c n LYS 114 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3e1c n VAL 115 N -0.77 0.00 0.03 -0.18 0.31 -1.26 -5.08 118.33 111.38 3e1c n VAL 115 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3e1c n VAL 115 Cb 0.10 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.79 3e1c n VAL 115 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3e1c n GLY 116 N 1.08 -0.28 3.51 2.92 0.00 -1.26 -5.11 105.19 106.05 3e1c n GLY 116 Ca 0.00 0.03 -0.48 0.00 0.00 0.00 0.00 46.02 45.57 3e1c n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3e1c n LEU 117 N -2.65 2.54 0.00 0.99 4.77 -1.26 -4.92 117.00 116.47 3e1c n LEU 117 Ca 0.00 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 3e1c n LEU 117 Cb 0.00 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 39.74 3e1c n LEU 117 CO 0.00 -0.68 0.00 -2.11 -1.33 0.00 0.00 177.39 173.27 3e1c n ARG 118 N 8.24 0.00 -4.61 3.23 0.00 -1.26 -3.88 116.66 118.38 3e1c n ARG 118 Ca 0.37 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.88 3e1c n ARG 118 Cb 0.29 0.00 -0.14 0.00 -0.00 0.00 0.00 32.46 32.62 3e1c n ARG 118 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3e1c s LYS 119 N -0.71 3.45 0.00 2.89 3.01 -1.26 -0.54 119.74 126.57 3e1c s LYS 119 Ca 0.00 -0.64 0.00 0.00 -1.01 0.00 0.00 55.97 54.32 3e1c s LYS 119 Cb 0.00 -2.73 0.00 0.00 -1.01 0.00 0.00 37.83 34.09 3e1c s LYS 119 CO 0.00 0.18 0.29 0.00 0.51 0.00 0.00 175.35 176.33 3e1c n ALA 120 N 3.65 0.58 -0.10 5.17 0.00 -0.22 -4.83 120.51 124.76 3e1c n ALA 120 Ca -0.18 -0.29 -0.18 0.00 0.00 0.00 0.00 53.44 52.79 3e1c n ALA 120 Cb 0.52 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.85 3e1c n ALA 120 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3e1c n ARG 121 N 0.00 0.67 -2.15 0.00 0.63 -1.26 -5.01 116.66 109.55 3e1c n ARG 121 Ca 0.00 0.16 -0.42 0.00 -0.92 0.00 0.00 57.85 56.67 3e1c n ARG 121 Cb 0.40 -1.55 -0.03 0.00 0.45 0.00 0.00 32.46 31.72 3e1c n ARG 121 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 3e1c s ARG 122 N -2.53 4.30 0.57 -0.14 1.70 -1.26 -5.02 118.95 116.57 3e1c s ARG 122 Ca -0.32 2.10 -0.09 0.00 -0.47 0.00 0.00 55.73 56.95 3e1c s ARG 122 Cb 0.08 -3.29 -0.04 0.00 -0.57 0.00 0.00 34.95 31.14 3e1c s ARG 122 CO 0.64 -0.48 0.94 1.03 -1.08 0.00 0.00 175.30 176.36 3e1c s ARG 123 N 1.30 3.60 -0.38 3.89 0.52 -1.26 -4.98 118.95 121.64 3e1c s ARG 123 Ca 0.65 0.58 -0.45 0.00 -0.52 0.00 0.00 55.73 55.99 3e1c s ARG 123 Cb -0.37 -2.18 -0.20 0.00 0.52 0.00 0.00 34.95 32.72 3e1c s ARG 123 CO 0.30 -0.43 1.47 -2.30 0.02 0.00 0.00 175.30 174.36 3e1c n PRO 124 N -2.50 0.00 -4.64 3.54 -0.02 -1.26 -4.98 135.00 125.13 3e1c n PRO 124 Ca 0.04 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.24 3e1c n PRO 124 Cb 0.54 -1.49 -0.14 0.00 -0.02 0.00 0.00 33.50 32.39 3e1c n PRO 124 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3e1c s GLN 125 N 2.30 1.52 0.28 -0.52 0.74 -1.26 -5.14 119.66 117.57 3e1c s GLN 125 Ca 1.01 -1.13 0.03 0.00 0.05 0.00 0.00 55.36 55.33 3e1c s GLN 125 Cb -1.44 -1.77 -0.03 0.00 1.10 0.00 0.00 33.01 30.87 3e1c s GLN 125 CO 0.76 0.44 0.24 -0.06 -0.55 0.00 0.00 175.29 176.12 3e1c s PHE 126 N -0.91 1.47 -0.70 1.67 0.40 -1.26 -5.07 117.98 113.59 3e1c s PHE 126 Ca 0.10 -1.52 0.01 0.00 -0.60 0.00 0.00 56.93 54.92 3e1c s PHE 126 Cb -0.10 -0.60 0.17 0.00 0.51 0.00 0.00 43.02 43.01 3e1c s PHE 126 CO 0.03 -0.81 0.51 0.45 0.70 0.00 0.00 175.22 176.10 3e1c s SER 127 N -3.28 5.14 -0.24 1.36 0.15 -1.26 -4.96 113.70 110.61 3e1c s SER 127 Ca 0.39 -3.38 -0.07 0.00 0.70 0.00 0.00 55.95 53.58 3e1c s SER 127 Cb 0.04 -1.77 0.03 0.00 -1.71 0.00 0.00 66.02 62.61 3e1c s SER 127 CO 0.21 -0.22 0.15 1.17 1.20 0.00 0.00 173.24 175.75 3e1c n LYS 128 N 2.70 -4.15 0.00 5.44 3.00 -1.26 -5.40 118.16 118.49 3e1c n LYS 128 Ca 0.14 3.19 0.03 0.00 -0.00 0.00 0.00 58.31 61.67 3e1c n LYS 128 Cb 0.36 -5.21 0.18 0.00 0.00 0.00 0.00 35.03 30.36 3e1c n LYS 128 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29