#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tf6 n VAL 8 N 0.00 0.00 -4.29 0.52 0.31 -1.26 -5.09 118.33 108.52 1tf6 n VAL 8 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 1tf6 n VAL 8 Cb 0.00 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.82 1tf6 n VAL 8 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1tf6 s VAL 9 N -1.95 2.92 -0.10 2.52 1.01 -1.26 -4.78 120.40 118.76 1tf6 s VAL 9 Ca 0.00 -1.47 -0.01 0.00 0.00 0.00 0.00 61.98 60.50 1tf6 s VAL 9 Cb 0.00 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 1tf6 s VAL 9 CO 0.00 0.10 0.33 0.00 0.00 0.00 0.00 175.10 175.53 1tf6 n TYR 10 N 0.77 0.00 0.00 5.22 9.36 -1.26 0.18 117.16 131.43 1tf6 n TYR 10 Ca -0.15 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.07 1tf6 n TYR 10 Cb 0.53 -0.11 0.00 0.00 -0.63 0.00 0.00 39.34 39.13 1tf6 n TYR 10 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1tf6 n LYS 11 N 1.08 0.00 0.00 2.98 4.76 -1.26 -4.99 118.16 120.73 1tf6 n LYS 11 Ca 0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1tf6 n LYS 11 Cb 0.07 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.26 1tf6 n LYS 11 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1tf6 n ARG 12 N 0.00 0.00 -1.68 1.97 3.00 0.49 -2.94 116.66 117.50 1tf6 n ARG 12 Ca 0.00 0.00 -0.49 0.00 -0.01 0.00 0.00 57.85 57.35 1tf6 n ARG 12 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.41 1tf6 n ARG 12 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1tf6 n TYR 13 N -0.11 2.25 -4.09 -1.55 4.01 -0.95 -4.64 117.16 112.08 1tf6 n TYR 13 Ca 0.00 0.14 -0.14 0.00 -0.16 0.00 0.00 57.90 57.74 1tf6 n TYR 13 Cb 0.00 -2.60 -0.12 0.00 -0.31 0.00 0.00 39.34 36.30 1tf6 n TYR 13 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 1tf6 s ILE 14 N 3.28 0.50 0.24 -0.72 -5.25 -1.26 0.17 121.20 118.16 1tf6 s ILE 14 Ca 0.91 -0.80 -0.27 0.00 -0.99 0.00 0.00 60.65 59.49 1tf6 s ILE 14 Cb -0.75 -0.53 -0.17 0.00 2.95 0.00 0.00 42.46 43.97 1tf6 s ILE 14 CO 0.51 -0.22 0.49 0.00 -1.79 0.00 0.00 174.94 173.93 1tf6 h SER 16 N 0.97 0.00 -3.83 0.00 0.02 -1.98 -3.46 113.55 105.28 1tf6 h SER 16 Ca -0.30 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.17 1tf6 h SER 16 Cb 1.43 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.95 1tf6 h SER 16 CO 0.56 0.50 0.35 -0.36 -1.14 0.00 0.00 176.83 176.73 1tf6 s PHE 17 N -2.97 3.82 0.34 3.45 0.40 -1.26 -5.03 117.98 116.73 1tf6 s PHE 17 Ca 0.01 1.84 -0.26 0.00 -0.60 0.00 0.00 56.93 57.93 1tf6 s PHE 17 Cb 0.08 -2.95 -0.10 0.00 0.51 0.00 0.00 43.02 40.56 1tf6 s PHE 17 CO 0.77 0.31 0.97 0.00 0.70 0.00 0.00 175.22 177.98 1tf6 s ALA 18 N -1.43 3.18 0.00 5.36 0.00 -1.26 -3.86 121.76 123.76 1tf6 s ALA 18 Ca 0.46 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1tf6 s ALA 18 Cb -0.22 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1tf6 s ALA 18 CO 0.27 0.09 0.00 -0.25 0.00 0.00 0.00 175.76 175.87 1tf6 n ASP 19 N 0.40 0.00 -0.06 0.00 9.92 -1.26 -4.90 116.55 120.65 1tf6 n ASP 19 Ca 0.03 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.19 1tf6 n ASP 19 Cb 0.50 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.95 1tf6 n ASP 19 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1tf6 n GLY 21 N -1.41 1.08 3.69 0.00 0.00 -1.26 -5.00 105.19 102.28 1tf6 n GLY 21 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1tf6 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tf6 s ALA 22 N -3.20 1.68 -0.27 4.61 0.00 -1.26 -4.89 121.76 118.43 1tf6 s ALA 22 Ca 0.00 0.68 -0.25 0.00 0.00 0.00 0.00 51.96 52.39 1tf6 s ALA 22 Cb 0.00 -3.46 0.07 0.00 0.00 0.00 0.00 23.12 19.73 1tf6 s ALA 22 CO 0.00 -2.50 0.72 0.00 0.00 0.00 0.00 175.76 173.98 1tf6 s ALA 23 N -2.46 -1.78 0.12 0.00 0.00 -1.26 -2.22 121.76 114.16 1tf6 s ALA 23 Ca 0.69 2.04 0.04 0.00 0.00 0.00 0.00 51.96 54.72 1tf6 s ALA 23 Cb -0.25 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 1tf6 s ALA 23 CO 0.55 -0.34 -0.09 0.71 0.00 0.00 0.00 175.76 176.58 1tf6 s TYR 24 N 0.40 1.12 -0.71 0.00 1.51 0.46 -4.97 117.35 115.15 1tf6 s TYR 24 Ca -0.00 -0.76 -0.01 0.00 -1.01 0.00 0.00 57.07 55.29 1tf6 s TYR 24 Cb -0.05 -0.59 0.40 0.00 -0.11 0.00 0.00 41.96 41.61 1tf6 s TYR 24 CO 0.01 0.00 1.93 0.27 -1.11 0.00 0.00 175.55 176.64 1tf6 n ASN 25 N 0.08 7.28 0.00 2.29 6.94 -1.26 -2.24 115.26 128.35 1tf6 n ASN 25 Ca -0.13 -3.81 0.00 0.00 -0.02 0.00 0.00 54.58 50.63 1tf6 n ASN 25 Cb 0.60 -0.95 0.00 0.00 -2.36 0.00 0.00 39.78 37.07 1tf6 n ASN 25 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 1tf6 n LYS 26 N -0.71 0.00 -0.40 -3.83 3.00 -1.26 -5.00 118.16 109.95 1tf6 n LYS 26 Ca 0.56 0.00 0.37 0.00 -0.00 0.00 0.00 58.31 59.24 1tf6 n LYS 26 Cb 0.49 0.00 0.64 0.00 0.00 0.00 0.00 35.03 36.16 1tf6 n LYS 26 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1tf6 n ASN 27 N 0.00 0.28 -0.10 3.14 5.15 -1.26 -0.05 115.26 122.42 1tf6 n ASN 27 Ca 0.00 1.52 -0.10 0.00 -0.60 0.00 0.00 54.58 55.40 1tf6 n ASN 27 Cb 0.00 -0.74 -0.02 0.00 -0.53 0.00 0.00 39.78 38.48 1tf6 n ASN 27 CO 0.00 0.00 0.00 4.11 1.40 0.00 0.00 177.26 182.77 1tf6 h TRP 28 N 0.00 0.46 -0.14 1.20 5.08 -1.97 0.23 115.95 120.81 1tf6 h TRP 28 Ca 0.87 -0.03 0.02 0.00 1.08 0.00 0.00 58.89 60.83 1tf6 h TRP 28 Cb 2.57 -0.14 -0.05 0.00 -3.00 0.00 0.00 29.16 28.55 1tf6 h TRP 28 CO -0.01 0.45 -0.38 0.87 -1.28 0.00 0.00 178.44 178.08 1tf6 h LYS 29 N 0.34 -0.37 -0.43 0.12 1.79 -0.87 0.16 116.57 117.32 1tf6 h LYS 29 Ca 0.10 0.02 0.09 0.00 -2.18 0.00 0.00 60.65 58.69 1tf6 h LYS 29 Cb 0.18 0.08 -0.09 0.00 -1.58 0.00 0.00 32.23 30.82 1tf6 h LYS 29 CO -0.01 -0.24 -0.23 1.25 -1.08 0.00 0.00 179.45 179.14 1tf6 h LEU 30 N -0.38 -0.78 -1.19 2.94 6.46 -1.37 0.36 115.31 121.35 1tf6 h LEU 30 Ca 0.03 0.17 0.35 0.00 -0.12 0.00 0.00 57.88 58.31 1tf6 h LEU 30 Cb 0.46 0.41 -0.13 0.00 -0.73 0.00 0.00 40.66 40.67 1tf6 h LEU 30 CO -0.33 -0.25 0.67 1.56 -0.62 0.00 0.00 178.44 179.47 1tf6 h GLN 31 N -0.14 0.25 -0.06 1.25 1.08 0.17 0.60 115.11 118.26 1tf6 h GLN 31 Ca 0.21 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.33 1tf6 h GLN 31 Cb 0.47 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1tf6 h GLN 31 CO -0.52 0.16 -0.21 0.00 -0.95 0.00 0.00 178.83 177.31 1tf6 h ALA 32 N 1.74 0.10 -0.60 3.87 0.00 0.14 -2.80 119.26 121.70 1tf6 h ALA 32 Ca 0.74 -0.39 0.12 0.00 0.00 0.00 0.00 54.91 55.38 1tf6 h ALA 32 Cb 1.94 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.69 1tf6 h ALA 32 CO -0.50 0.07 0.41 1.25 0.00 0.00 0.00 179.25 180.48 1tf6 h HIS 33 N -0.28 0.33 -0.35 0.00 -0.00 0.71 -0.53 115.15 115.03 1tf6 h HIS 33 Ca -0.01 0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.30 1tf6 h HIS 33 Cb 0.84 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 28.13 1tf6 h HIS 33 CO 0.13 0.14 -0.04 -0.07 -0.00 0.00 0.00 177.93 178.09 1tf6 h LEU 34 N 0.30 0.64 -2.11 0.26 3.38 -0.26 -2.25 115.31 115.28 1tf6 h LEU 34 Ca 0.29 -0.34 0.09 0.00 0.09 0.00 0.00 57.88 58.01 1tf6 h LEU 34 Cb 0.72 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1tf6 h LEU 34 CO -0.07 0.83 0.29 0.00 0.09 0.00 0.00 178.44 179.58 1tf6 h LYS 36 N 0.00 -0.99 -0.10 0.00 3.64 -1.14 0.99 116.57 118.97 1tf6 h LYS 36 Ca 0.14 0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.62 1tf6 h LYS 36 Cb 0.73 0.22 -0.06 0.00 -0.41 0.00 0.00 32.23 32.71 1tf6 h LYS 36 CO -0.00 -0.66 -0.52 0.45 -2.27 0.00 0.00 179.45 176.45 1tf6 h HIS 37 N -1.02 -1.53 0.22 1.91 3.86 -0.93 -3.23 115.15 114.42 1tf6 h HIS 37 Ca -0.10 0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.15 1tf6 h HIS 37 Cb 0.79 0.68 0.00 0.00 1.06 0.00 0.00 27.41 29.94 1tf6 h HIS 37 CO 0.05 -0.54 -0.11 1.79 0.86 0.00 0.00 177.93 179.98 1tf6 h THR 38 N -0.59 0.00 0.00 2.45 1.35 -1.10 -3.49 112.91 111.54 1tf6 h THR 38 Ca 0.04 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 1tf6 h THR 38 Cb 0.68 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.10 1tf6 h THR 38 CO -0.41 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.47 1tf6 n GLY 39 N -0.94 0.89 3.93 5.82 0.00 0.34 -5.06 105.19 110.17 1tf6 n GLY 39 Ca -0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 1tf6 n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tf6 s GLU 40 N 0.22 2.98 -0.54 1.61 2.02 -1.21 -5.05 118.70 118.72 1tf6 s GLU 40 Ca 0.00 -0.25 0.06 0.00 0.02 0.00 0.00 54.97 54.81 1tf6 s GLU 40 Cb 0.00 -2.41 0.34 0.00 0.10 0.00 0.00 34.13 32.16 1tf6 s GLU 40 CO 0.00 -0.50 0.89 1.63 0.02 0.00 0.00 175.26 177.30 1tf6 n LYS 41 N -2.35 2.72 0.28 1.61 5.02 -1.26 -4.68 118.16 119.51 1tf6 n LYS 41 Ca 0.03 -4.54 0.11 0.00 -2.02 0.00 0.00 58.31 51.89 1tf6 n LYS 41 Cb 0.58 -2.12 0.58 0.00 -0.02 0.00 0.00 35.03 34.05 1tf6 n LYS 41 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1tf6 h PRO 42 N 3.06 0.00 -2.17 1.97 0.11 -1.93 -3.22 132.00 129.82 1tf6 h PRO 42 Ca 0.13 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.76 1tf6 h PRO 42 Cb 0.61 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.38 1tf6 h PRO 42 CO 0.75 0.00 -0.81 -0.06 -0.21 0.00 0.00 178.00 177.67 1tf6 s PHE 43 N -3.82 0.31 0.47 0.65 0.40 -1.10 -4.93 117.98 109.97 1tf6 s PHE 43 Ca -0.02 -1.52 -0.01 0.00 -0.60 0.00 0.00 56.93 54.78 1tf6 s PHE 43 Cb 0.06 -0.64 -0.00 0.00 0.51 0.00 0.00 43.02 42.95 1tf6 s PHE 43 CO 0.19 -0.91 0.71 -1.25 0.70 0.00 0.00 175.22 174.66 1tf6 s PRO 44 N 0.83 3.06 0.77 0.24 0.04 -1.22 -1.89 135.00 136.82 1tf6 s PRO 44 Ca 0.24 -0.38 -0.12 0.00 0.04 0.00 0.00 61.00 60.78 1tf6 s PRO 44 Cb -0.10 -2.50 0.05 0.00 0.04 0.00 0.00 34.50 31.99 1tf6 s PRO 44 CO -0.07 -0.34 1.14 0.00 0.04 0.00 0.00 177.00 177.77 1tf6 n LYS 46 N -3.18 3.57 -3.61 0.00 4.01 -1.26 -5.00 118.16 112.69 1tf6 n LYS 46 Ca 0.08 -4.81 -0.09 0.00 -0.51 0.00 0.00 58.31 52.97 1tf6 n LYS 46 Cb 0.59 -2.28 -0.06 0.00 -0.51 0.00 0.00 35.03 32.77 1tf6 n LYS 46 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 1tf6 s GLU 47 N -3.52 0.50 1.18 1.97 1.03 -1.26 -5.16 118.70 113.44 1tf6 s GLU 47 Ca 0.46 0.36 -0.13 0.00 0.03 0.00 0.00 54.97 55.68 1tf6 s GLU 47 Cb 0.25 0.24 0.29 0.00 -0.80 0.00 0.00 34.13 34.11 1tf6 s GLU 47 CO -0.12 -0.11 1.03 -1.21 -1.33 0.00 0.00 175.26 173.52 1tf6 s GLU 48 N -0.38 -1.01 0.00 -4.83 8.01 -1.26 -3.27 118.70 115.96 1tf6 s GLU 48 Ca 0.01 0.70 0.00 0.00 0.01 0.00 0.00 54.97 55.70 1tf6 s GLU 48 Cb -0.03 -1.55 0.00 0.00 -4.31 0.00 0.00 34.13 28.24 1tf6 s GLU 48 CO -0.04 -3.75 0.00 0.41 0.01 0.00 0.00 175.26 171.90 1tf6 n GLY 49 N 0.58 1.71 3.52 -1.39 0.00 -1.26 -4.92 105.19 103.43 1tf6 n GLY 49 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1tf6 n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tf6 n GLU 51 N 4.55 2.71 -1.73 0.00 4.07 -1.26 -4.80 120.64 124.19 1tf6 n GLU 51 Ca -0.16 -2.07 -0.42 0.00 -0.06 0.00 0.00 57.16 54.45 1tf6 n GLU 51 Cb 0.52 -1.31 -0.02 0.00 -0.06 0.00 0.00 31.44 30.57 1tf6 n GLU 51 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1tf6 n LYS 52 N -0.25 2.69 -4.57 5.31 4.76 -1.26 -4.94 118.16 119.89 1tf6 n LYS 52 Ca 0.10 0.97 -0.27 0.00 -2.87 0.00 0.00 58.31 56.24 1tf6 n LYS 52 Cb 0.47 -2.78 -0.11 0.00 -1.84 0.00 0.00 35.03 30.78 1tf6 n LYS 52 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1tf6 s GLY 53 N 0.86 2.33 0.32 0.72 0.00 -1.26 -3.12 107.32 107.16 1tf6 s GLY 53 Ca 0.71 -2.19 -0.07 0.00 0.00 0.00 0.00 44.72 43.17 1tf6 s GLY 53 CO 0.40 -2.05 0.54 0.69 0.00 0.00 0.00 173.10 172.68 1tf6 n PHE 54 N -0.87 -1.73 -2.70 1.90 3.72 -0.79 -4.96 117.46 112.02 1tf6 n PHE 54 Ca -0.05 -1.80 -0.07 0.00 -0.05 0.00 0.00 57.45 55.48 1tf6 n PHE 54 Cb 0.65 0.63 0.03 0.00 -0.94 0.00 0.00 39.48 39.85 1tf6 n PHE 54 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1tf6 n THR 55 N -0.47 1.06 0.00 4.37 -2.24 -1.26 -2.72 114.28 113.02 1tf6 n THR 55 Ca -0.03 -3.02 0.00 0.00 -2.27 0.00 0.00 64.05 58.73 1tf6 n THR 55 Cb 0.50 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.56 1tf6 n THR 55 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1tf6 n SER 56 N -0.20 0.00 0.00 3.42 2.88 -1.26 -4.87 113.62 113.59 1tf6 n SER 56 Ca 0.09 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.69 1tf6 n SER 56 Cb 0.81 0.00 0.38 0.00 -0.75 0.00 0.00 64.21 64.66 1tf6 n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1tf6 n LEU 57 N 0.00 0.00 -0.05 2.46 -0.00 -1.26 -1.96 117.00 116.19 1tf6 n LEU 57 Ca 0.00 0.05 -0.02 0.00 -0.00 0.00 0.00 56.01 56.04 1tf6 n LEU 57 Cb 0.00 -0.05 -0.11 0.00 -0.00 0.00 0.00 43.42 43.26 1tf6 n LEU 57 CO 0.00 -0.03 -0.86 1.57 -0.00 0.00 0.00 177.39 178.07 1tf6 n HIS 58 N -1.05 0.00 1.72 1.47 -0.00 -1.26 -4.03 115.22 112.07 1tf6 n HIS 58 Ca 0.09 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.95 1tf6 n HIS 58 Cb 0.06 -0.57 0.83 0.00 -0.00 0.00 0.00 29.99 30.30 1tf6 n HIS 58 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1tf6 n HIS 59 N -2.35 0.00 -0.12 1.57 8.25 -0.83 -2.27 115.22 119.47 1tf6 n HIS 59 Ca -0.16 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.13 1tf6 n HIS 59 Cb 0.77 -0.03 -0.13 0.00 1.12 0.00 0.00 29.99 31.72 1tf6 n HIS 59 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1tf6 n LEU 60 N -1.03 2.53 -0.02 2.41 7.94 -1.20 -4.18 117.00 123.44 1tf6 n LEU 60 Ca 0.20 -0.10 -0.12 0.00 -1.11 0.00 0.00 56.01 54.89 1tf6 n LEU 60 Cb 0.11 -0.71 -0.06 0.00 0.53 0.00 0.00 43.42 43.28 1tf6 n LEU 60 CO 0.17 0.87 0.79 0.71 -1.11 0.00 0.00 177.39 178.81 1tf6 h THR 61 N 0.00 1.19 -0.08 1.96 1.35 -1.64 -1.81 112.91 113.89 1tf6 h THR 61 Ca -0.57 -0.60 0.02 0.00 -0.55 0.00 0.00 66.41 64.72 1tf6 h THR 61 Cb 1.96 1.39 -0.00 0.00 -1.73 0.00 0.00 68.15 69.76 1tf6 h THR 61 CO -0.06 0.17 0.15 0.08 -0.25 0.00 0.00 175.52 175.61 1tf6 h ARG 62 N -0.03 0.00 0.00 4.72 0.11 -1.68 0.38 114.38 117.88 1tf6 h ARG 62 Ca 0.03 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.08 1tf6 h ARG 62 Cb 0.25 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.32 1tf6 h ARG 62 CO 0.00 0.00 -0.72 1.25 0.10 0.00 0.00 179.97 180.60 1tf6 h HIS 63 N 0.00 0.00 0.72 4.08 2.76 -1.55 -3.38 115.15 117.78 1tf6 h HIS 63 Ca 0.04 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.17 1tf6 h HIS 63 Cb 0.34 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.31 1tf6 h HIS 63 CO 0.00 0.13 -0.35 0.77 -1.30 0.00 0.00 177.93 177.18 1tf6 h SER 64 N 0.00 -0.82 0.00 3.26 0.02 0.57 -2.83 113.55 113.75 1tf6 h SER 64 Ca -0.02 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1tf6 h SER 64 Cb 1.12 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.87 1tf6 h SER 64 CO 0.01 -0.50 0.74 0.17 -1.14 0.00 0.00 176.83 176.11 1tf6 h LEU 65 N -1.14 0.00 0.19 5.07 8.10 -1.71 0.42 115.31 126.24 1tf6 h LEU 65 Ca -0.10 0.00 -0.34 0.00 0.11 0.00 0.00 57.88 57.55 1tf6 h LEU 65 Cb 0.75 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.98 1tf6 h LEU 65 CO 0.16 0.00 -1.67 0.71 -4.11 0.00 0.00 178.44 173.53 1tf6 h THR 66 N 0.00 1.04 0.00 0.15 1.35 -1.70 0.26 112.91 114.01 1tf6 h THR 66 Ca 0.00 -2.59 0.00 0.00 -0.55 0.00 0.00 66.41 63.27 1tf6 h THR 66 Cb 1.48 2.82 0.00 0.00 -1.73 0.00 0.00 68.15 70.72 1tf6 h THR 66 CO 0.00 0.84 0.00 1.41 -0.25 0.00 0.00 175.52 177.52 1tf6 n HIS 67 N -3.60 0.00 0.07 4.73 8.25 0.15 -2.98 115.22 121.83 1tf6 n HIS 67 Ca -0.22 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.24 1tf6 n HIS 67 Cb 1.08 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.19 1tf6 n HIS 67 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1tf6 n THR 68 N -0.79 0.65 0.00 1.59 5.66 -1.23 -5.07 114.28 115.09 1tf6 n THR 68 Ca 0.04 0.22 0.00 0.00 -3.05 0.00 0.00 64.05 61.26 1tf6 n THR 68 Cb 0.02 -1.21 0.00 0.00 -1.55 0.00 0.00 70.33 67.59 1tf6 n THR 68 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1tf6 n GLY 69 N 2.76 1.62 3.79 1.09 0.00 0.77 -5.12 105.19 110.11 1tf6 n GLY 69 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1tf6 n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tf6 s GLU 70 N -0.24 2.37 -0.41 1.61 0.41 -0.28 -5.03 118.70 117.14 1tf6 s GLU 70 Ca 0.00 0.88 0.07 0.00 -0.41 0.00 0.00 54.97 55.50 1tf6 s GLU 70 Cb 0.00 -1.93 0.23 0.00 -1.78 0.00 0.00 34.13 30.65 1tf6 s GLU 70 CO 0.00 -1.48 0.51 1.17 -0.49 0.00 0.00 175.26 174.96 1tf6 n LYS 71 N -3.37 0.57 0.13 1.61 3.00 -1.26 -4.58 118.16 114.25 1tf6 n LYS 71 Ca 0.08 -3.07 -0.02 0.00 -0.00 0.00 0.00 58.31 55.30 1tf6 n LYS 71 Cb 0.54 -1.36 0.16 0.00 0.00 0.00 0.00 35.03 34.38 1tf6 n LYS 71 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 1tf6 h ASN 72 N 4.45 0.02 -3.26 3.14 4.21 -1.83 -3.41 115.58 118.90 1tf6 h ASN 72 Ca 0.11 -0.01 -0.56 0.00 1.21 0.00 0.00 56.30 57.04 1tf6 h ASN 72 Cb 0.91 -0.01 -0.03 0.00 -1.12 0.00 0.00 38.32 38.06 1tf6 h ASN 72 CO 0.41 0.64 -0.24 -0.36 -1.29 0.00 0.00 177.43 176.59 1tf6 s PHE 73 N -3.61 3.46 0.36 1.19 0.08 0.13 -4.93 117.98 114.67 1tf6 s PHE 73 Ca -0.01 0.68 0.09 0.00 0.12 0.00 0.00 56.93 57.80 1tf6 s PHE 73 Cb 0.13 -2.10 -0.06 0.00 -0.57 0.00 0.00 43.02 40.41 1tf6 s PHE 73 CO 0.77 0.38 -0.02 0.95 -0.10 0.00 0.00 175.22 177.19 1tf6 s THR 74 N -1.71 2.30 -0.65 0.64 -4.23 -1.26 0.42 115.64 111.15 1tf6 s THR 74 Ca 0.43 -2.06 -0.24 0.00 -1.18 0.00 0.00 61.69 58.64 1tf6 s THR 74 Cb -0.12 -2.79 0.05 0.00 1.34 0.00 0.00 72.50 70.98 1tf6 s THR 74 CO 0.23 -0.14 1.05 0.00 -0.54 0.00 0.00 174.62 175.22 1tf6 n ASP 76 N 8.12 1.09 -3.46 0.00 8.00 -1.26 -4.77 116.55 124.28 1tf6 n ASP 76 Ca 0.00 -2.19 -0.13 0.00 0.71 0.00 0.00 54.79 53.18 1tf6 n ASP 76 Cb 0.47 -1.61 -0.03 0.00 -0.02 0.00 0.00 41.12 39.93 1tf6 n ASP 76 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1tf6 s SER 77 N 8.16 -0.55 -0.30 -2.24 1.04 -1.26 -5.02 113.70 113.52 1tf6 s SER 77 Ca 0.78 0.09 -0.14 0.00 0.48 0.00 0.00 55.95 57.16 1tf6 s SER 77 Cb -0.08 0.58 -0.03 0.00 0.10 0.00 0.00 66.02 66.59 1tf6 s SER 77 CO 0.16 -0.90 0.33 -0.62 0.98 0.00 0.00 173.24 173.20 1tf6 s ASP 78 N -2.49 6.17 0.00 7.02 2.15 -1.26 -4.36 116.67 123.90 1tf6 s ASP 78 Ca -0.01 -0.00 0.00 0.00 0.43 0.00 0.00 52.55 52.97 1tf6 s ASP 78 Cb -0.01 -2.19 0.00 0.00 -0.30 0.00 0.00 42.92 40.43 1tf6 s ASP 78 CO -0.09 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.29 1tf6 n GLY 79 N 4.88 3.20 3.78 2.66 0.00 -1.26 -5.03 105.19 113.42 1tf6 n GLY 79 Ca -0.10 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 44.70 1tf6 n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tf6 n ASP 81 N 2.83 2.00 -4.08 0.00 8.00 -1.26 -4.61 116.55 119.41 1tf6 n ASP 81 Ca -0.13 0.00 -0.58 0.00 0.71 0.00 0.00 54.79 54.79 1tf6 n ASP 81 Cb 0.52 1.52 -0.10 0.00 -0.02 0.00 0.00 41.12 43.04 1tf6 n ASP 81 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1tf6 n LEU 82 N -2.01 0.88 -4.90 0.64 0.00 -1.26 -4.54 117.00 105.80 1tf6 n LEU 82 Ca -0.04 0.83 -0.28 0.00 0.00 0.00 0.00 56.01 56.52 1tf6 n LEU 82 Cb 0.40 -0.81 0.03 0.00 0.00 0.00 0.00 43.42 43.04 1tf6 n LEU 82 CO 0.27 -0.73 0.61 0.00 0.00 0.00 0.00 177.39 177.55 1tf6 s ARG 83 N 4.23 2.99 0.35 1.96 3.03 -1.26 -3.22 118.95 127.03 1tf6 s ARG 83 Ca 1.03 0.22 0.05 0.00 2.03 0.00 0.00 55.73 59.06 1tf6 s ARG 83 Cb -1.37 -2.18 -0.07 0.00 -1.03 0.00 0.00 34.95 30.30 1tf6 s ARG 83 CO 0.67 -0.77 0.04 -0.06 -1.13 0.00 0.00 175.30 174.06 1tf6 s PHE 84 N -3.11 2.11 0.12 5.89 0.40 1.41 -4.85 117.98 119.96 1tf6 s PHE 84 Ca 0.55 -0.88 0.02 0.00 -0.60 0.00 0.00 56.93 56.02 1tf6 s PHE 84 Cb -0.11 -1.41 -0.16 0.00 0.51 0.00 0.00 43.02 41.85 1tf6 s PHE 84 CO 0.48 0.13 1.27 0.00 0.70 0.00 0.00 175.22 177.80 1tf6 h THR 85 N 2.03 1.56 -3.87 0.64 1.03 -1.81 0.41 112.91 112.90 1tf6 h THR 85 Ca -0.42 -3.01 -0.23 0.00 -0.01 0.00 0.00 66.41 62.74 1tf6 h THR 85 Cb 1.24 2.74 -0.16 0.00 -1.07 0.00 0.00 68.15 70.90 1tf6 h THR 85 CO 0.73 0.87 -0.70 -0.89 -0.01 0.00 0.00 175.52 175.51 1tf6 s THR 86 N -2.87 0.63 0.00 0.00 2.01 -1.26 -4.48 115.64 109.67 1tf6 s THR 86 Ca -0.02 -1.72 0.00 0.00 0.31 0.00 0.00 61.69 60.26 1tf6 s THR 86 Cb 0.09 -1.41 0.00 0.00 0.01 0.00 0.00 72.50 71.19 1tf6 s THR 86 CO 0.84 -0.76 0.29 1.17 -0.69 0.00 0.00 174.62 175.47 1tf6 n LYS 87 N 0.33 0.00 0.01 4.92 4.81 -1.26 -0.51 118.16 126.45 1tf6 n LYS 87 Ca -0.15 0.27 0.22 0.00 -0.87 0.00 0.00 58.31 57.79 1tf6 n LYS 87 Cb 0.59 -0.96 0.63 0.00 0.02 0.00 0.00 35.03 35.31 1tf6 n LYS 87 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1tf6 h ALA 88 N -2.00 2.36 0.07 3.14 0.00 -1.99 0.34 119.26 121.19 1tf6 h ALA 88 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1tf6 h ALA 88 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1tf6 h ALA 88 CO 0.00 -1.03 -0.03 -0.97 0.00 0.00 0.00 179.25 177.22 1tf6 h ASN 89 N 0.00 -0.08 -1.24 0.00 -1.24 -1.98 -3.22 115.58 107.82 1tf6 h ASN 89 Ca 0.28 0.00 0.36 0.00 0.71 0.00 0.00 56.30 57.65 1tf6 h ASN 89 Cb 1.73 0.02 -0.07 0.00 0.73 0.00 0.00 38.32 40.72 1tf6 h ASN 89 CO -0.00 -0.03 0.86 -0.03 -1.29 0.00 0.00 177.43 176.94 1tf6 h MET 90 N -0.16 0.11 -0.60 6.67 4.05 0.19 0.69 114.93 125.88 1tf6 h MET 90 Ca -0.01 -0.01 0.17 0.00 -0.28 0.00 0.00 59.70 59.58 1tf6 h MET 90 Cb 0.07 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.83 1tf6 h MET 90 CO 0.02 0.07 0.61 -0.22 0.23 0.00 0.00 176.91 177.62 1tf6 h LYS 91 N 0.12 0.00 0.05 0.39 3.64 -0.49 -1.35 116.57 118.93 1tf6 h LYS 91 Ca 0.64 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 60.02 1tf6 h LYS 91 Cb 2.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.06 1tf6 h LYS 91 CO -0.14 0.00 -0.03 0.87 -2.27 0.00 0.00 179.45 177.89 1tf6 h LYS 92 N 0.00 -0.07 -0.40 1.90 1.57 0.31 -3.10 116.57 116.78 1tf6 h LYS 92 Ca 0.28 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.10 1tf6 h LYS 92 Cb 1.50 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.78 1tf6 h LYS 92 CO -0.00 -0.05 -0.24 1.58 -0.57 0.00 0.00 179.45 180.17 1tf6 n HIS 93 N -2.22 -0.18 -0.16 -1.35 -0.00 -0.52 -0.43 115.22 110.36 1tf6 n HIS 93 Ca -0.01 0.51 -0.08 0.00 0.46 0.00 0.00 57.72 58.59 1tf6 n HIS 93 Cb 0.03 -0.47 -0.06 0.00 -0.12 0.00 0.00 29.99 29.37 1tf6 n HIS 93 CO 0.00 0.00 0.00 0.35 0.46 0.00 0.00 176.34 177.15 1tf6 h PHE 94 N 0.00 -1.16 -0.88 1.57 3.04 -1.64 0.71 116.94 118.58 1tf6 h PHE 94 Ca 0.06 0.07 0.20 0.00 3.98 0.00 0.00 57.97 62.28 1tf6 h PHE 94 Cb 0.17 0.56 -0.06 0.00 2.56 0.00 0.00 35.95 39.17 1tf6 h PHE 94 CO -0.63 -0.29 0.58 -0.91 -2.02 0.00 0.00 178.31 175.05 1tf6 h ASN 95 N -0.16 0.39 -0.02 0.41 2.35 -0.91 0.93 115.58 118.56 1tf6 h ASN 95 Ca 0.07 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1tf6 h ASN 95 Cb 0.34 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1tf6 h ASN 95 CO -0.47 0.16 0.00 0.54 -1.65 0.00 0.00 177.43 176.01 1tf6 n ARG 96 N -4.50 1.13 0.00 0.81 1.74 0.21 -4.58 116.66 111.47 1tf6 n ARG 96 Ca 0.18 -0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1tf6 n ARG 96 Cb 0.68 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.77 1tf6 n ARG 96 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1tf6 n PHE 97 N -0.62 -0.17 0.00 -1.55 -0.00 0.23 -5.00 117.46 110.35 1tf6 n PHE 97 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.61 1tf6 n PHE 97 Cb 0.12 0.27 0.00 0.00 -0.00 0.00 0.00 39.48 39.87 1tf6 n PHE 97 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 1tf6 n HIS 98 N -1.80 0.00 -0.36 -5.13 -0.00 0.26 -4.76 115.22 103.43 1tf6 n HIS 98 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.56 1tf6 n HIS 98 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 29.96 1tf6 n HIS 98 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 1tf6 n ASN 99 N -0.49 0.23 -1.66 0.41 5.15 -1.09 -4.74 115.26 113.07 1tf6 n ASN 99 Ca 0.00 0.22 0.00 0.00 -0.60 0.00 0.00 54.58 54.20 1tf6 n ASN 99 Cb 0.00 -0.23 0.00 0.00 -0.53 0.00 0.00 39.78 39.02 1tf6 n ASN 99 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1tf6 n ILE 100 N 1.44 0.00 0.00 -1.44 2.08 -1.26 -3.97 119.36 116.20 1tf6 n ILE 100 Ca 0.12 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.43 1tf6 n ILE 100 Cb -0.01 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.88 1tf6 n ILE 100 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 1tf6 n LYS 101 N 0.00 0.00 -0.05 0.38 4.81 -1.26 -3.88 118.16 118.15 1tf6 n LYS 101 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 1tf6 n LYS 101 Cb 0.00 -0.17 -0.04 0.00 0.02 0.00 0.00 35.03 34.85 1tf6 n LYS 101 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1tf6 n ILE 102 N 0.00 0.75 -2.49 3.15 -0.00 -1.26 -4.72 119.36 114.78 1tf6 n ILE 102 Ca 0.00 -0.10 -0.42 0.00 -0.00 0.00 0.00 62.75 62.23 1tf6 n ILE 102 Cb 0.00 -1.70 0.01 0.00 -0.00 0.00 0.00 39.64 37.95 1tf6 n ILE 102 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1tf6 h VAL 104 N 3.42 1.27 -2.99 0.00 -1.51 -1.85 -3.41 116.25 111.17 1tf6 h VAL 104 Ca 0.39 -1.10 -0.57 0.00 -1.23 0.00 0.00 66.70 64.19 1tf6 h VAL 104 Cb 0.56 1.08 -0.04 0.00 -2.13 0.00 0.00 31.29 30.76 1tf6 h VAL 104 CO 1.50 0.38 0.92 -0.31 -1.23 0.00 0.00 177.57 178.83 1tf6 s TYR 105 N -4.94 2.83 0.01 5.19 2.02 -1.18 -4.97 117.35 116.31 1tf6 s TYR 105 Ca -0.12 1.00 0.01 0.00 -0.37 0.00 0.00 57.07 57.58 1tf6 s TYR 105 Cb 0.11 -3.61 -0.01 0.00 -0.40 0.00 0.00 41.96 38.05 1tf6 s TYR 105 CO 0.82 -1.62 -0.04 0.08 -1.57 0.00 0.00 175.55 173.22 1tf6 s VAL 106 N 3.75 0.25 -0.88 0.71 1.01 -1.26 0.44 120.40 124.42 1tf6 s VAL 106 Ca 0.54 -0.56 -0.22 0.00 0.00 0.00 0.00 61.98 61.74 1tf6 s VAL 106 Cb -0.20 -0.29 0.08 0.00 0.00 0.00 0.00 36.38 35.97 1tf6 s VAL 106 CO 0.17 -0.21 1.22 0.00 0.00 0.00 0.00 175.10 176.28 1tf6 n HIS 108 N 7.99 0.00 0.70 0.00 8.25 -1.26 -4.02 115.22 126.88 1tf6 n HIS 108 Ca 0.18 -0.25 0.06 0.00 -0.26 0.00 0.00 57.72 57.45 1tf6 n HIS 108 Cb 0.49 -0.17 0.35 0.00 1.12 0.00 0.00 29.99 31.77 1tf6 n HIS 108 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1tf6 n PHE 109 N 0.28 0.00 -1.55 4.41 7.35 -1.26 -4.95 117.46 121.74 1tf6 n PHE 109 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1tf6 n PHE 109 Cb 0.37 -0.12 0.00 0.00 0.35 0.00 0.00 39.48 40.08 1tf6 n PHE 109 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 1tf6 n GLU 110 N -1.12 -4.13 0.00 -4.13 4.07 -1.26 -4.70 120.64 109.38 1tf6 n GLU 110 Ca 0.08 3.19 0.00 0.00 -0.06 0.00 0.00 57.16 60.36 1tf6 n GLU 110 Cb 0.07 -3.92 0.00 0.00 -0.06 0.00 0.00 31.44 27.53 1tf6 n GLU 110 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1tf6 n ASN 111 N -2.34 0.00 -0.06 4.31 3.02 -1.26 -4.37 115.26 114.56 1tf6 n ASN 111 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.57 1tf6 n ASN 111 Cb 0.40 0.00 0.36 0.00 -0.61 0.00 0.00 39.78 39.93 1tf6 n ASN 111 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1tf6 n GLY 113 N -1.38 0.00 0.00 0.00 0.00 -1.26 -4.99 105.19 97.57 1tf6 n GLY 113 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1tf6 n GLY 113 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1tf6 n LYS 114 N 0.90 0.03 -3.74 1.61 4.76 -1.26 -4.89 118.16 115.57 1tf6 n LYS 114 Ca 0.00 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.38 1tf6 n LYS 114 Cb 0.03 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.20 1tf6 n LYS 114 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1tf6 s ALA 115 N -2.00 -1.48 -0.00 7.82 0.00 -1.26 -3.31 121.76 121.53 1tf6 s ALA 115 Ca 0.00 0.06 -0.19 0.00 0.00 0.00 0.00 51.96 51.83 1tf6 s ALA 115 Cb 0.00 0.74 0.04 0.00 0.00 0.00 0.00 23.12 23.90 1tf6 s ALA 115 CO 0.00 -0.98 0.41 -0.06 0.00 0.00 0.00 175.76 175.13 1tf6 s PHE 116 N -3.60 -0.29 0.19 0.00 0.08 0.17 -4.96 117.98 109.57 1tf6 s PHE 116 Ca 0.10 0.42 -0.00 0.00 0.12 0.00 0.00 56.93 57.56 1tf6 s PHE 116 Cb -0.03 0.19 0.11 0.00 -0.57 0.00 0.00 43.02 42.72 1tf6 s PHE 116 CO 0.01 -0.48 1.48 1.57 -0.10 0.00 0.00 175.22 177.70 1tf6 h LYS 117 N 3.45 0.39 -6.22 0.44 2.10 -1.86 -3.14 116.57 111.73 1tf6 h LYS 117 Ca -0.30 -0.29 -0.55 0.00 -2.00 0.00 0.00 60.65 57.52 1tf6 h LYS 117 Cb 1.18 0.05 -0.07 0.00 -0.90 0.00 0.00 32.23 32.49 1tf6 h LYS 117 CO 0.41 0.92 -0.58 0.15 -2.00 0.00 0.00 179.45 178.35 1tf6 s LYS 118 N -3.71 2.73 -0.02 0.07 1.02 -1.26 -4.73 119.74 113.83 1tf6 s LYS 118 Ca -0.05 -1.08 -0.24 0.00 0.02 0.00 0.00 55.97 54.62 1tf6 s LYS 118 Cb 0.11 -2.48 -0.17 0.00 -0.52 0.00 0.00 37.83 34.77 1tf6 s LYS 118 CO 0.83 0.42 1.11 1.25 -0.92 0.00 0.00 175.35 178.04 1tf6 h HIS 119 N 1.98 -0.21 -0.87 3.18 -0.00 -1.96 -3.12 115.15 114.14 1tf6 h HIS 119 Ca -0.47 -0.01 0.17 0.00 -0.00 0.00 0.00 60.37 60.07 1tf6 h HIS 119 Cb 1.23 0.07 -0.11 0.00 -0.00 0.00 0.00 27.41 28.60 1tf6 h HIS 119 CO 0.59 0.20 0.43 -0.91 -0.00 0.00 0.00 177.93 178.24 1tf6 h ASN 120 N -0.72 0.47 -0.66 3.26 -0.26 -1.99 0.20 115.58 115.87 1tf6 h ASN 120 Ca -0.02 0.11 0.13 0.00 -0.56 0.00 0.00 56.30 55.96 1tf6 h ASN 120 Cb 0.51 0.05 -0.09 0.00 -1.06 0.00 0.00 38.32 37.73 1tf6 h ASN 120 CO 0.04 0.14 0.19 1.56 -1.06 0.00 0.00 177.43 178.30 1tf6 h GLN 121 N 0.55 0.31 0.26 0.81 7.50 -1.97 -0.24 115.11 122.34 1tf6 h GLN 121 Ca 0.50 -0.02 -0.01 0.00 0.50 0.00 0.00 58.65 59.62 1tf6 h GLN 121 Cb 0.81 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 28.27 1tf6 h GLN 121 CO -0.42 0.20 -0.13 1.25 -1.50 0.00 0.00 178.83 178.24 1tf6 h LEU 122 N 0.32 -0.30 -0.94 1.46 5.85 -0.58 -2.87 115.31 118.25 1tf6 h LEU 122 Ca 0.36 -0.03 0.16 0.00 0.84 0.00 0.00 57.88 59.21 1tf6 h LEU 122 Cb 0.54 0.08 -0.16 0.00 0.37 0.00 0.00 40.66 41.48 1tf6 h LEU 122 CO -0.41 -0.17 -0.33 0.11 -0.34 0.00 0.00 178.44 177.29 1tf6 h LYS 123 N -0.40 -0.02 0.00 1.25 1.79 -0.02 -1.36 116.57 117.81 1tf6 h LYS 123 Ca -0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1tf6 h LYS 123 Cb 0.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1tf6 h LYS 123 CO 0.06 -0.01 0.00 0.28 -1.08 0.00 0.00 179.45 178.70 1tf6 n VAL 124 N -5.51 0.00 -0.16 0.50 0.31 -0.58 -2.94 118.33 109.95 1tf6 n VAL 124 Ca 0.11 1.41 -0.04 0.00 -0.01 0.00 0.00 64.34 65.81 1tf6 n VAL 124 Cb 0.42 -2.28 -0.04 0.00 -0.91 0.00 0.00 33.84 31.03 1tf6 n VAL 124 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1tf6 n HIS 125 N -1.98 -0.16 -0.19 3.52 -0.00 -0.89 0.14 115.22 115.66 1tf6 n HIS 125 Ca 0.00 0.46 0.17 0.00 -0.00 0.00 0.00 57.72 58.35 1tf6 n HIS 125 Cb 0.00 -0.45 0.31 0.00 -0.00 0.00 0.00 29.99 29.84 1tf6 n HIS 125 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1tf6 n GLN 126 N -3.96 -0.04 0.28 1.57 6.02 -0.57 0.38 117.38 121.06 1tf6 n GLN 126 Ca 0.01 0.83 0.18 0.00 -0.01 0.00 0.00 57.00 58.01 1tf6 n GLN 126 Cb 0.10 -1.45 0.96 0.00 1.02 0.00 0.00 30.24 30.87 1tf6 n GLN 126 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 1tf6 h PHE 127 N 0.00 0.00 0.00 1.08 -1.00 0.13 0.36 116.94 117.51 1tf6 h PHE 127 Ca 0.47 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.25 1tf6 h PHE 127 Cb 1.19 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.75 1tf6 h PHE 127 CO -0.07 0.00 0.00 0.66 -1.61 0.00 0.00 178.31 177.29 1tf6 h SER 128 N 0.00 0.00 -0.87 2.17 4.64 0.70 0.15 113.55 120.35 1tf6 h SER 128 Ca 0.03 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.00 1tf6 h SER 128 Cb 0.28 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.16 1tf6 h SER 128 CO -0.00 0.00 0.45 1.41 -0.87 0.00 0.00 176.83 177.82 1tf6 n HIS 129 N -2.77 2.77 -1.71 4.77 8.25 0.13 -4.91 115.22 121.75 1tf6 n HIS 129 Ca -0.01 -1.50 0.00 0.00 -0.26 0.00 0.00 57.72 55.95 1tf6 n HIS 129 Cb 0.13 -0.81 0.00 0.00 1.12 0.00 0.00 29.99 30.43 1tf6 n HIS 129 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1tf6 n THR 130 N -0.59 0.00 0.00 1.59 -2.24 0.53 -5.07 114.28 108.51 1tf6 n THR 130 Ca 0.50 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.28 1tf6 n THR 130 Cb 1.53 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.76 1tf6 n THR 130 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tf6 n GLN 131 N 0.00 3.23 -3.29 -0.78 6.02 -1.26 -5.08 117.38 116.23 1tf6 n GLN 131 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.77 1tf6 n GLN 131 Cb 0.00 -0.72 -0.00 0.00 1.02 0.00 0.00 30.24 30.53 1tf6 n GLN 131 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1tf6 s GLN 132 N -0.92 3.26 0.53 -1.09 -2.07 -1.26 -5.11 119.66 112.99 1tf6 s GLN 132 Ca 0.00 -0.54 -0.01 0.00 -1.82 0.00 0.00 55.36 52.99 1tf6 s GLN 132 Cb 0.00 -2.66 0.02 0.00 -1.09 0.00 0.00 33.01 29.27 1tf6 s GLN 132 CO 0.00 -0.01 0.77 -0.51 -1.32 0.00 0.00 175.29 174.23 1tf6 s LEU 133 N -4.36 3.38 0.00 2.60 1.02 -1.26 -4.80 118.68 115.26 1tf6 s LEU 133 Ca 0.44 0.27 0.00 0.00 0.02 0.00 0.00 54.13 54.86 1tf6 s LEU 133 Cb -0.10 -3.12 0.00 0.00 0.02 0.00 0.00 46.19 42.99 1tf6 s LEU 133 CO 0.35 -0.99 0.00 -0.81 0.02 0.00 0.00 176.35 174.93 1tf6 n PRO 134 N -2.33 0.00 -1.52 1.29 -0.04 -0.97 -4.70 135.00 126.74 1tf6 n PRO 134 Ca 0.05 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.17 1tf6 n PRO 134 Cb 0.59 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.91 1tf6 n PRO 134 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1tf6 n TYR 135 N 0.00 0.71 -4.03 0.54 4.01 -1.07 -4.55 117.16 112.77 1tf6 n TYR 135 Ca 0.00 0.22 -0.24 0.00 -0.16 0.00 0.00 57.90 57.72 1tf6 n TYR 135 Cb 0.00 -2.12 -0.04 0.00 -0.31 0.00 0.00 39.34 36.88 1tf6 n TYR 135 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1tf6 s GLU 136 N 8.47 3.17 0.21 -0.72 -6.30 -1.26 -0.39 118.70 121.87 1tf6 s GLU 136 Ca 1.23 -0.82 -0.31 0.00 -2.50 0.00 0.00 54.97 52.57 1tf6 s GLU 136 Cb -0.84 -2.76 -0.10 0.00 0.00 0.00 0.00 34.13 30.42 1tf6 s GLU 136 CO 0.42 0.46 1.56 0.00 0.02 0.00 0.00 175.26 177.72 1tf6 s PRO 138 N 0.56 3.23 0.00 0.00 0.04 -1.26 -4.71 135.00 132.85 1tf6 s PRO 138 Ca 0.67 -0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.04 1tf6 s PRO 138 Cb -0.45 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.17 1tf6 s PRO 138 CO 0.36 -0.75 0.00 0.72 0.04 0.00 0.00 177.00 177.37 1tf6 n HIS 139 N 5.52 0.00 -3.00 0.56 8.25 -1.26 -5.13 115.22 120.16 1tf6 n HIS 139 Ca -0.08 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.00 1tf6 n HIS 139 Cb 0.48 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.53 1tf6 n HIS 139 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1tf6 s GLU 140 N -2.00 4.49 3.28 -0.41 0.41 -1.26 -4.71 118.70 118.49 1tf6 s GLU 140 Ca 0.00 1.09 0.00 0.00 -0.41 0.00 0.00 54.97 55.65 1tf6 s GLU 140 Cb 0.00 -3.14 0.00 0.00 -1.78 0.00 0.00 34.13 29.21 1tf6 s GLU 140 CO 0.00 0.51 0.00 0.41 -0.49 0.00 0.00 175.26 175.69 1tf6 n GLY 141 N 1.31 -0.08 5.43 -1.39 0.00 -1.26 -4.83 105.19 104.38 1tf6 n GLY 141 Ca -0.04 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1tf6 n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tf6 n ASP 143 N 1.01 0.00 -4.68 0.00 5.68 -1.26 -4.93 116.55 112.36 1tf6 n ASP 143 Ca 0.00 0.00 -0.55 0.00 -0.50 0.00 0.00 54.79 53.74 1tf6 n ASP 143 Cb 0.00 -0.58 -0.06 0.00 -1.14 0.00 0.00 41.12 39.34 1tf6 n ASP 143 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1tf6 n LYS 144 N -2.00 1.31 -3.39 0.11 5.02 -1.26 -4.68 118.16 113.27 1tf6 n LYS 144 Ca 0.00 0.48 -0.22 0.00 -2.02 0.00 0.00 58.31 56.55 1tf6 n LYS 144 Cb 0.00 -2.17 0.02 0.00 -0.02 0.00 0.00 35.03 32.86 1tf6 n LYS 144 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1tf6 s ARG 145 N 2.78 2.35 0.35 1.97 0.52 -1.26 -0.69 118.95 124.97 1tf6 s ARG 145 Ca 0.94 -1.74 -0.11 0.00 -0.52 0.00 0.00 55.73 54.30 1tf6 s ARG 145 Cb -0.98 -2.43 0.03 0.00 0.52 0.00 0.00 34.95 32.08 1tf6 s ARG 145 CO 0.59 -0.67 0.64 -0.06 0.02 0.00 0.00 175.30 175.81 1tf6 s PHE 146 N -2.66 0.48 0.00 -0.53 0.40 0.47 -4.79 117.98 111.35 1tf6 s PHE 146 Ca 0.50 -0.95 0.00 0.00 -0.60 0.00 0.00 56.93 55.88 1tf6 s PHE 146 Cb -0.04 0.42 0.00 0.00 0.51 0.00 0.00 43.02 43.90 1tf6 s PHE 146 CO 0.31 -1.33 0.00 0.43 0.70 0.00 0.00 175.22 175.33 1tf6 n SER 147 N -1.26 0.00 -4.60 1.36 7.64 -1.26 -2.28 113.62 113.22 1tf6 n SER 147 Ca -0.04 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.41 1tf6 n SER 147 Cb 0.61 -0.08 -0.02 0.00 -1.01 0.00 0.00 64.21 63.70 1tf6 n SER 147 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1tf6 s LEU 148 N -3.28 3.58 0.40 -3.43 1.02 -1.26 -4.32 118.68 111.39 1tf6 s LEU 148 Ca 0.00 1.01 0.22 0.00 0.02 0.00 0.00 54.13 55.38 1tf6 s LEU 148 Cb 0.00 -3.54 1.22 0.00 0.02 0.00 0.00 46.19 43.89 1tf6 s LEU 148 CO 0.00 -1.49 1.69 1.55 0.02 0.00 0.00 176.35 178.12 1tf6 h PRO 149 N 11.26 0.25 -0.83 1.29 0.13 -1.92 0.14 132.00 142.33 1tf6 h PRO 149 Ca -0.30 -0.02 0.11 0.00 -0.87 0.00 0.00 66.00 64.93 1tf6 h PRO 149 Cb 1.12 -0.06 -0.08 0.00 0.13 0.00 0.00 31.00 32.12 1tf6 h PRO 149 CO 1.06 0.17 0.47 0.66 -0.23 0.00 0.00 178.00 180.13 1tf6 h SER 150 N 0.26 0.64 -0.36 1.44 4.64 -2.00 -1.26 113.55 116.92 1tf6 h SER 150 Ca 0.72 0.06 -0.13 0.00 -0.47 0.00 0.00 61.79 61.96 1tf6 h SER 150 Cb 1.95 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.96 1tf6 h SER 150 CO -0.42 0.35 -0.27 0.03 -0.87 0.00 0.00 176.83 175.64 1tf6 h ARG 151 N 0.76 0.88 0.41 4.77 2.47 -1.12 -2.99 114.38 119.55 1tf6 h ARG 151 Ca 0.41 -0.39 -0.01 0.00 -1.26 0.00 0.00 59.98 58.73 1tf6 h ARG 151 Cb 0.43 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.72 1tf6 h ARG 151 CO -0.27 1.04 -0.28 1.25 0.56 0.00 0.00 179.97 182.27 1tf6 h LEU 152 N 0.75 -0.71 -1.53 3.04 6.46 -1.17 -1.08 115.31 121.06 1tf6 h LEU 152 Ca 0.09 0.05 0.35 0.00 -0.12 0.00 0.00 57.88 58.24 1tf6 h LEU 152 Cb 0.83 0.22 -0.09 0.00 -0.73 0.00 0.00 40.66 40.89 1tf6 h LEU 152 CO 0.07 -0.43 0.79 0.50 -0.62 0.00 0.00 178.44 178.76 1tf6 h LYS 153 N -0.67 0.20 -0.02 1.25 3.64 -1.26 0.41 116.57 120.12 1tf6 h LYS 153 Ca -0.04 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1tf6 h LYS 153 Cb 0.56 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1tf6 h LYS 153 CO 0.02 0.13 0.01 -0.09 -2.27 0.00 0.00 179.45 177.25 1tf6 h ARG 154 N 0.20 0.03 -0.79 1.90 2.43 -1.06 -2.82 114.38 114.27 1tf6 h ARG 154 Ca 0.67 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.86 1tf6 h ARG 154 Cb 2.08 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 31.59 1tf6 h ARG 154 CO -0.26 0.20 0.52 1.25 -1.51 0.00 0.00 179.97 180.17 1tf6 h HIS 155 N -0.15 0.96 -1.00 2.20 2.76 0.28 -2.68 115.15 117.52 1tf6 h HIS 155 Ca 0.01 0.02 0.36 0.00 -2.20 0.00 0.00 60.37 58.56 1tf6 h HIS 155 Cb 0.18 -0.32 -0.16 0.00 1.55 0.00 0.00 27.41 28.66 1tf6 h HIS 155 CO -0.01 0.58 0.56 0.93 -1.30 0.00 0.00 177.93 178.68 1tf6 h GLU 156 N 1.01 0.19 0.00 5.26 4.39 -1.01 -0.83 114.58 123.59 1tf6 h GLU 156 Ca 0.30 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.99 1tf6 h GLU 156 Cb -0.03 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1tf6 h GLU 156 CO -0.08 0.13 0.43 1.63 -1.16 0.00 0.00 179.01 179.96 1tf6 n LYS 157 N -5.13 0.01 0.00 2.33 5.02 -1.01 -1.47 118.16 117.91 1tf6 n LYS 157 Ca 0.34 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 1tf6 n LYS 157 Cb 1.10 -1.97 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 1tf6 n LYS 157 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1tf6 n VAL 158 N -1.31 0.00 -2.24 -0.18 0.31 -0.32 -4.41 118.33 110.18 1tf6 n VAL 158 Ca -0.00 0.49 -0.33 0.00 -0.01 0.00 0.00 64.34 64.48 1tf6 n VAL 158 Cb 0.43 -1.46 -0.04 0.00 -0.91 0.00 0.00 33.84 31.86 1tf6 n VAL 158 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1tf6 s HIS 159 N -0.97 2.22 -0.30 3.52 3.76 -0.54 -4.74 115.29 118.24 1tf6 s HIS 159 Ca 0.00 -0.21 -0.05 0.00 -0.15 0.00 0.00 55.06 54.64 1tf6 s HIS 159 Cb 0.00 -4.27 0.19 0.00 1.11 0.00 0.00 32.58 29.61 1tf6 s HIS 159 CO 0.00 -1.46 0.78 0.00 -0.85 0.00 0.00 174.74 173.21 1tf6 s ALA 160 N 8.62 -2.80 0.00 -1.40 0.00 -1.26 -4.99 121.76 119.94 1tf6 s ALA 160 Ca 0.63 1.60 0.00 0.00 0.00 0.00 0.00 51.96 54.19 1tf6 s ALA 160 Cb 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.76 1tf6 s ALA 160 CO 0.09 -1.47 0.00 0.41 0.00 0.00 0.00 175.76 174.80 1tf6 n GLY 161 N 5.43 -1.07 2.74 0.00 0.00 -1.26 -4.68 105.19 106.35 1tf6 n GLY 161 Ca -0.02 0.42 -0.08 0.00 0.00 0.00 0.00 46.02 46.33 1tf6 n GLY 161 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1tf6 n TYR 162 N 0.00 -3.24 -2.10 1.61 4.01 0.37 -4.84 117.16 112.96 1tf6 n TYR 162 Ca 0.00 -1.84 -0.40 0.00 -0.16 0.00 0.00 57.90 55.50 1tf6 n TYR 162 Cb 0.00 1.57 -0.02 0.00 -0.31 0.00 0.00 39.34 40.58 1tf6 n TYR 162 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1tf6 s PRO 163 N 0.60 4.25 0.81 -0.72 0.04 -1.17 -3.92 135.00 134.89 1tf6 s PRO 163 Ca 0.30 2.20 -0.12 0.00 0.04 0.00 0.00 61.00 63.42 1tf6 s PRO 163 Cb 0.24 -2.99 0.08 0.00 0.04 0.00 0.00 34.50 31.87 1tf6 s PRO 163 CO -0.21 -0.27 1.15 0.00 0.04 0.00 0.00 177.00 177.72 1tf6 s LYS 165 N -5.46 1.86 -0.36 0.00 -0.14 -1.26 -4.86 119.74 109.51 1tf6 s LYS 165 Ca 0.62 -2.41 0.13 0.00 -1.36 0.00 0.00 55.97 52.94 1tf6 s LYS 165 Cb -0.12 -3.30 0.36 0.00 -1.68 0.00 0.00 37.83 33.09 1tf6 s LYS 165 CO 0.51 -1.06 0.76 1.17 -0.76 0.00 0.00 175.35 175.96 1tf6 n LYS 166 N 3.45 0.99 -1.35 1.68 3.00 -1.26 -5.12 118.16 119.55 1tf6 n LYS 166 Ca 0.05 -3.35 0.16 0.00 -0.00 0.00 0.00 58.31 55.17 1tf6 n LYS 166 Cb 0.35 -1.65 -0.09 0.00 0.00 0.00 0.00 35.03 33.64 1tf6 n LYS 166 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1tf6 n ASP 167 N 0.24 -7.38 0.02 3.14 2.03 -1.26 -2.65 116.55 110.69 1tf6 n ASP 167 Ca 0.23 1.36 0.22 0.00 0.52 0.00 0.00 54.79 57.12 1tf6 n ASP 167 Cb 0.68 -4.66 0.68 0.00 -0.72 0.00 0.00 41.12 37.11 1tf6 n ASP 167 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1tf6 h ASP 168 N -1.33 0.00 -0.01 1.67 1.82 -2.00 -1.76 116.42 114.81 1tf6 h ASP 168 Ca -0.19 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.46 1tf6 h ASP 168 Cb 1.30 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.31 1tf6 h ASP 168 CO 0.07 0.00 -0.02 0.77 -1.61 0.00 0.00 179.24 178.45 1tf6 h SER 169 N 0.00 -0.07 -3.47 2.28 4.64 -2.05 -3.36 113.55 111.53 1tf6 h SER 169 Ca 0.26 0.01 -0.53 0.00 -0.47 0.00 0.00 61.79 61.06 1tf6 h SER 169 Cb 1.50 0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.60 1tf6 h SER 169 CO -0.00 -0.02 0.39 0.00 -0.87 0.00 0.00 176.83 176.32 1tf6 n SER 171 N 3.37 0.00 -4.78 0.00 7.64 -1.26 -4.45 113.62 114.15 1tf6 n SER 171 Ca 0.05 -1.55 -0.35 0.00 1.01 0.00 0.00 58.87 58.02 1tf6 n SER 171 Cb 0.50 -0.09 -0.00 0.00 -1.01 0.00 0.00 64.21 63.60 1tf6 n SER 171 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1tf6 s PHE 172 N 0.00 2.75 0.00 1.43 5.36 -1.26 -4.99 117.98 121.27 1tf6 s PHE 172 Ca 0.01 1.55 0.00 0.00 -0.96 0.00 0.00 56.93 57.53 1tf6 s PHE 172 Cb 0.02 -3.28 0.00 0.00 -0.34 0.00 0.00 43.02 39.42 1tf6 s PHE 172 CO -0.01 -1.46 0.00 1.33 -1.46 0.00 0.00 175.22 173.62 1tf6 n VAL 173 N -1.09 0.00 0.00 3.12 0.24 -1.26 -3.55 118.33 115.80 1tf6 n VAL 173 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 1tf6 n VAL 173 Cb 0.51 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 1tf6 n VAL 173 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1tf6 n GLY 174 N 3.42 -1.80 0.20 7.63 0.00 -1.25 -3.03 105.19 110.35 1tf6 n GLY 174 Ca 0.00 0.97 -0.05 0.00 0.00 0.00 0.00 46.02 46.94 1tf6 n GLY 174 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1tf6 n LYS 175 N 0.00 -0.21 -3.83 1.61 4.01 -1.26 0.14 118.16 118.62 1tf6 n LYS 175 Ca 0.00 0.87 -0.10 0.00 -0.51 0.00 0.00 58.31 58.57 1tf6 n LYS 175 Cb 0.00 -1.28 -0.08 0.00 -0.51 0.00 0.00 35.03 33.16 1tf6 n LYS 175 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1tf6 s THR 176 N -4.76 0.11 0.12 -0.18 2.01 -1.26 -4.61 115.64 107.06 1tf6 s THR 176 Ca -0.06 -0.91 -0.26 0.00 0.31 0.00 0.00 61.69 60.77 1tf6 s THR 176 Cb 0.05 -1.02 -0.07 0.00 0.01 0.00 0.00 72.50 71.47 1tf6 s THR 176 CO 0.29 -0.50 1.44 -0.25 -0.69 0.00 0.00 174.62 174.91 1tf6 h TRP 177 N 3.23 -1.45 -0.91 4.92 2.91 -1.92 1.94 115.95 124.67 1tf6 h TRP 177 Ca -0.32 0.08 0.25 0.00 1.13 0.00 0.00 58.89 60.03 1tf6 h TRP 177 Cb 1.20 0.71 -0.16 0.00 -0.51 0.00 0.00 29.16 30.39 1tf6 h TRP 177 CO 0.47 -0.35 0.14 1.79 -1.03 0.00 0.00 178.44 179.46 1tf6 h THR 178 N -0.17 0.17 0.07 2.65 1.35 -1.98 1.67 112.91 116.66 1tf6 h THR 178 Ca 0.09 -0.03 -0.24 0.00 -0.55 0.00 0.00 66.41 65.68 1tf6 h THR 178 Cb 0.41 0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 66.89 1tf6 h THR 178 CO -0.61 0.02 -1.11 -0.07 -0.25 0.00 0.00 175.52 173.49 1tf6 h LEU 179 N 0.10 0.23 -0.40 3.87 3.38 -1.39 -3.26 115.31 117.83 1tf6 h LEU 179 Ca 0.57 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 58.22 1tf6 h LEU 179 Cb 1.18 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1tf6 h LEU 179 CO -0.78 1.18 -0.07 0.22 0.09 0.00 0.00 178.44 179.08 1tf6 h TYR 180 N 0.04 0.84 -0.01 1.13 3.20 0.83 -3.03 116.97 119.98 1tf6 h TYR 180 Ca -0.07 -0.17 0.03 0.00 3.14 0.00 0.00 58.73 61.66 1tf6 h TYR 180 Cb 1.85 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 39.86 1tf6 h TYR 180 CO 0.03 0.87 -0.37 -0.07 -1.64 0.00 0.00 178.16 176.98 1tf6 h LEU 181 N 0.57 -1.13 -0.77 2.82 3.38 0.21 -2.31 115.31 118.07 1tf6 h LEU 181 Ca 0.10 0.14 0.16 0.00 0.09 0.00 0.00 57.88 58.37 1tf6 h LEU 181 Cb 0.58 0.45 -0.15 0.00 0.09 0.00 0.00 40.66 41.64 1tf6 h LEU 181 CO 0.03 -0.42 -0.18 0.11 0.09 0.00 0.00 178.44 178.07 1tf6 h LYS 182 N -0.52 0.00 -1.09 1.13 1.57 -1.58 0.38 116.57 116.46 1tf6 h LYS 182 Ca 0.06 -0.00 0.31 0.00 -1.87 0.00 0.00 60.65 59.14 1tf6 h LYS 182 Cb 0.61 -0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.81 1tf6 h LYS 182 CO -0.30 0.00 0.69 1.25 -0.57 0.00 0.00 179.45 180.52 1tf6 h HIS 183 N 0.00 0.71 0.06 -1.35 2.76 -1.30 1.64 115.15 117.67 1tf6 h HIS 183 Ca 0.38 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.57 1tf6 h HIS 183 Cb 0.58 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.34 1tf6 h HIS 183 CO -0.61 -0.03 -0.03 0.28 -1.30 0.00 0.00 177.93 176.25 1tf6 h VAL 184 N 0.34 0.64 0.00 5.26 2.07 -0.29 -2.96 116.25 121.32 1tf6 h VAL 184 Ca 0.67 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1tf6 h VAL 184 Cb 1.72 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1tf6 h VAL 184 CO -0.38 0.20 0.00 0.00 0.02 0.00 0.00 177.57 177.41 1tf6 n ALA 185 N -2.69 0.00 -0.46 1.67 0.00 -0.12 -3.44 120.51 115.46 1tf6 n ALA 185 Ca -0.05 0.00 0.39 0.00 0.00 0.00 0.00 53.44 53.78 1tf6 n ALA 185 Cb 0.19 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.29 1tf6 n ALA 185 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1tf6 n GLU 186 N -0.48 -0.03 0.00 0.00 4.07 0.54 -4.48 120.64 120.26 1tf6 n GLU 186 Ca 0.00 1.15 0.00 0.00 -0.06 0.00 0.00 57.16 58.25 1tf6 n GLU 186 Cb 0.00 -2.30 0.00 0.00 -0.06 0.00 0.00 31.44 29.08 1tf6 n GLU 186 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07