#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x86 s ILE 4 N 0.00 5.01 -0.12 0.00 1.01 -1.26 -4.99 121.20 120.84 1x86 s ILE 4 Ca 0.00 0.05 -0.07 0.00 0.00 0.00 0.00 60.65 60.63 1x86 s ILE 4 Cb 0.00 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 1x86 s ILE 4 CO 0.00 0.42 0.13 -0.60 0.00 0.00 0.00 174.94 174.89 1x86 s ARG 5 N 0.63 3.46 -0.15 2.79 3.52 -1.26 -1.14 118.95 126.80 1x86 s ARG 5 Ca 0.05 -0.16 -0.01 0.00 -0.13 0.00 0.00 55.73 55.48 1x86 s ARG 5 Cb -0.13 -3.17 0.04 0.00 -1.56 0.00 0.00 34.95 30.13 1x86 s ARG 5 CO 0.01 0.74 -0.02 0.15 -0.81 0.00 0.00 175.30 175.37 1x86 s LYS 6 N -0.91 1.09 -0.60 5.12 -0.14 0.87 -4.95 119.74 120.22 1x86 s LYS 6 Ca 0.14 -0.37 -0.27 0.00 -1.36 0.00 0.00 55.97 54.12 1x86 s LYS 6 Cb -0.12 -1.82 -0.01 0.00 -1.68 0.00 0.00 37.83 34.21 1x86 s LYS 6 CO 0.03 -0.45 1.69 0.21 -0.76 0.00 0.00 175.35 176.07 1x86 s LYS 7 N 1.75 2.88 -0.19 1.68 2.20 -1.26 -1.32 119.74 125.49 1x86 s LYS 7 Ca 0.01 0.51 -0.18 0.00 -0.36 0.00 0.00 55.97 55.95 1x86 s LYS 7 Cb -0.15 -4.30 -0.03 0.00 -1.51 0.00 0.00 37.83 31.84 1x86 s LYS 7 CO -0.07 -2.45 0.51 -1.17 -0.36 0.00 0.00 175.35 171.81 1x86 s LEU 8 N 7.89 4.16 -0.11 5.43 0.20 -0.86 -2.29 118.68 133.11 1x86 s LEU 8 Ca 0.61 0.68 0.02 0.00 0.69 0.00 0.00 54.13 56.13 1x86 s LEU 8 Cb -0.12 -2.70 0.01 0.00 -0.43 0.00 0.00 46.19 42.95 1x86 s LEU 8 CO 0.21 -0.15 -0.17 -0.69 -0.29 0.00 0.00 176.35 175.27 1x86 s VAL 9 N 1.49 1.61 -0.15 1.68 1.01 -1.12 -1.36 120.40 123.56 1x86 s VAL 9 Ca 0.24 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.44 1x86 s VAL 9 Cb -0.15 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1x86 s VAL 9 CO 0.10 0.46 0.11 -0.51 0.00 0.00 0.00 175.10 175.25 1x86 s ILE 10 N 0.93 5.20 -0.06 2.22 2.07 -1.26 -2.40 121.20 127.90 1x86 s ILE 10 Ca -0.07 0.10 -0.01 0.00 -1.41 0.00 0.00 60.65 59.26 1x86 s ILE 10 Cb -0.15 -3.31 0.03 0.00 0.13 0.00 0.00 42.46 39.16 1x86 s ILE 10 CO -0.01 0.53 0.02 0.68 -1.91 0.00 0.00 174.94 174.25 1x86 s VAL 11 N -0.30 0.21 -0.19 4.00 -7.23 -0.48 -3.34 120.40 113.07 1x86 s VAL 11 Ca 0.10 0.21 -0.31 0.00 -1.81 0.00 0.00 61.98 60.17 1x86 s VAL 11 Cb -0.12 -0.39 0.15 0.00 0.56 0.00 0.00 36.38 36.58 1x86 s VAL 11 CO 0.01 0.22 1.15 -0.83 -0.31 0.00 0.00 175.10 175.34 1x86 s GLY 12 N 1.92 -0.19 0.07 2.32 0.00 -1.26 0.17 107.32 110.35 1x86 s GLY 12 Ca 0.03 2.06 -0.37 0.00 0.00 0.00 0.00 44.72 46.44 1x86 s GLY 12 CO -0.04 0.86 1.23 1.22 0.00 0.00 0.00 173.10 176.37 1x86 n ASP 13 N 0.37 1.09 0.00 1.64 8.00 -1.26 -4.77 116.55 121.61 1x86 n ASP 13 Ca -0.04 1.13 0.01 0.00 0.71 0.00 0.00 54.79 56.60 1x86 n ASP 13 Cb 0.59 -1.11 0.06 0.00 -0.02 0.00 0.00 41.12 40.64 1x86 n ASP 13 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x86 n GLY 14 N 2.17 -0.14 0.13 0.44 0.00 -1.26 -2.82 105.19 103.72 1x86 n GLY 14 Ca 0.19 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 1x86 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x86 h ALA 15 N 1.75 0.28 -0.52 4.61 0.00 -2.02 -3.43 119.26 119.94 1x86 h ALA 15 Ca 0.00 -1.23 -0.02 0.00 0.00 0.00 0.00 54.91 53.66 1x86 h ALA 15 Cb 0.00 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1x86 h ALA 15 CO 0.00 1.02 0.23 0.00 0.00 0.00 0.00 179.25 180.50 1x86 n GLY 17 N -0.86 0.87 0.40 0.00 0.00 -1.26 -4.83 105.19 99.51 1x86 n GLY 17 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 1x86 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x86 h LYS 18 N 0.00 -0.90 -0.77 1.61 1.57 -1.92 -2.72 116.57 113.45 1x86 h LYS 18 Ca 0.00 0.06 0.13 0.00 -1.87 0.00 0.00 60.65 58.98 1x86 h LYS 18 Cb 0.00 0.20 -0.13 0.00 0.08 0.00 0.00 32.23 32.38 1x86 h LYS 18 CO 0.00 -0.60 -0.25 2.41 -0.57 0.00 0.00 179.45 180.44 1x86 n THR 19 N -4.79 -0.36 0.03 -0.16 -1.04 -1.26 0.71 114.28 107.40 1x86 n THR 19 Ca -0.11 1.77 -0.12 0.00 -2.04 0.00 0.00 64.05 63.55 1x86 n THR 19 Cb 0.39 -2.40 -0.07 0.00 -1.82 0.00 0.00 70.33 66.43 1x86 n THR 19 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x86 h LEU 21 N -0.06 -0.35 -0.53 0.00 5.85 0.60 0.44 115.31 121.26 1x86 h LEU 21 Ca 0.00 0.12 0.11 0.00 0.84 0.00 0.00 57.88 58.95 1x86 h LEU 21 Cb 0.07 0.24 -0.10 0.00 0.37 0.00 0.00 40.66 41.25 1x86 h LEU 21 CO -0.00 -0.13 -0.11 -0.07 -0.34 0.00 0.00 178.44 177.79 1x86 h LEU 22 N 0.01 -0.45 -1.03 2.25 3.38 -1.42 0.92 115.31 118.97 1x86 h LEU 22 Ca 0.20 0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.25 1x86 h LEU 22 Cb 0.30 0.31 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1x86 h LEU 22 CO -0.41 -0.16 -0.04 0.40 0.09 0.00 0.00 178.44 178.32 1x86 h ILE 23 N 0.02 1.23 0.07 1.22 2.04 -0.56 0.40 117.51 121.92 1x86 h ILE 23 Ca 0.26 -0.96 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 1x86 h ILE 23 Cb 0.39 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1x86 h ILE 23 CO -0.53 0.33 -0.03 0.58 0.00 0.00 0.00 178.15 178.50 1x86 h VAL 24 N 0.61 1.03 -0.30 1.67 2.07 0.85 -2.53 116.25 119.66 1x86 h VAL 24 Ca 0.12 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 1x86 h VAL 24 Cb 0.44 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1x86 h VAL 24 CO 0.02 0.08 0.04 0.15 0.02 0.00 0.00 177.57 177.89 1x86 h PHE 25 N -0.24 0.54 0.08 1.57 3.57 -0.41 0.24 116.94 122.28 1x86 h PHE 25 Ca -0.01 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.41 1x86 h PHE 25 Cb 0.21 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.80 1x86 h PHE 25 CO -0.02 0.60 -0.04 0.66 -2.23 0.00 0.00 178.31 177.28 1x86 h SER 26 N 0.32 -0.09 0.34 0.41 4.64 -0.25 -3.21 113.55 115.72 1x86 h SER 26 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1x86 h SER 26 Cb 0.35 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1x86 h SER 26 CO 0.01 -0.02 0.00 0.29 -0.87 0.00 0.00 176.83 176.24 1x86 n LYS 27 N -2.54 0.12 -3.42 4.77 5.02 -0.95 -4.86 118.16 116.30 1x86 n LYS 27 Ca -0.01 0.49 -0.20 0.00 -2.02 0.00 0.00 58.31 56.56 1x86 n LYS 27 Cb 0.04 -1.80 0.07 0.00 -0.02 0.00 0.00 35.03 33.32 1x86 n LYS 27 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1x86 n ASP 28 N -2.04 -5.16 -3.48 4.39 -0.08 0.79 -4.98 116.55 105.99 1x86 n ASP 28 Ca 0.01 -0.48 -0.10 0.00 -1.51 0.00 0.00 54.79 52.70 1x86 n ASP 28 Cb 0.12 -4.48 -0.02 0.00 2.34 0.00 0.00 41.12 39.08 1x86 n ASP 28 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 1x86 s GLN 29 N -5.98 0.99 -0.13 -0.67 0.74 -0.86 -5.00 119.66 108.75 1x86 s GLN 29 Ca 0.42 -0.34 -0.13 0.00 0.05 0.00 0.00 55.36 55.37 1x86 s GLN 29 Cb -0.19 0.46 -0.05 0.00 1.10 0.00 0.00 33.01 34.33 1x86 s GLN 29 CO 0.64 -0.43 0.28 0.12 -0.55 0.00 0.00 175.29 175.36 1x86 s PHE 30 N -3.24 3.52 -0.74 1.67 5.36 -1.26 -4.12 117.98 119.17 1x86 s PHE 30 Ca 0.03 0.64 -0.27 0.00 -0.96 0.00 0.00 56.93 56.38 1x86 s PHE 30 Cb -0.01 -2.27 0.02 0.00 -0.34 0.00 0.00 43.02 40.42 1x86 s PHE 30 CO -0.10 0.38 1.41 -1.25 -1.46 0.00 0.00 175.22 174.20 1x86 s PRO 31 N -0.01 3.10 -0.03 10.12 0.04 -1.26 -4.85 135.00 142.10 1x86 s PRO 31 Ca 0.17 -0.14 0.03 0.00 0.04 0.00 0.00 61.00 61.09 1x86 s PRO 31 Cb -0.13 -4.31 0.13 0.00 0.04 0.00 0.00 34.50 30.23 1x86 s PRO 31 CO 0.05 -2.28 0.78 -1.91 0.04 0.00 0.00 177.00 173.68 1x86 n GLU 32 N 9.30 1.59 0.03 4.56 2.13 -1.26 -4.15 120.64 132.84 1x86 n GLU 32 Ca 0.09 -0.52 0.00 0.00 0.66 0.00 0.00 57.16 57.39 1x86 n GLU 32 Cb 0.50 -1.53 0.00 0.00 0.27 0.00 0.00 31.44 30.68 1x86 n GLU 32 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1x86 n VAL 33 N 0.06 0.49 -3.74 6.31 0.24 -1.26 -5.06 118.33 115.37 1x86 n VAL 33 Ca 0.05 0.16 -0.22 0.00 -2.04 0.00 0.00 64.34 62.28 1x86 n VAL 33 Cb 0.35 -1.14 -0.18 0.00 -1.47 0.00 0.00 33.84 31.40 1x86 n VAL 33 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1x86 s TYR 34 N -1.44 0.52 -0.44 6.34 5.04 -1.26 -5.12 117.35 120.99 1x86 s TYR 34 Ca 0.00 -0.07 -0.29 0.00 -2.44 0.00 0.00 57.07 54.27 1x86 s TYR 34 Cb 0.00 -0.72 0.02 0.00 0.35 0.00 0.00 41.96 41.61 1x86 s TYR 34 CO 0.00 -0.30 1.22 0.08 -1.34 0.00 0.00 175.55 175.21 1x86 s VAL 35 N 2.02 4.14 0.40 3.14 1.01 -1.26 -4.84 120.40 125.01 1x86 s VAL 35 Ca 0.05 1.18 -0.26 0.00 0.00 0.00 0.00 61.98 62.96 1x86 s VAL 35 Cb -0.12 -4.46 -0.09 0.00 0.00 0.00 0.00 36.38 31.71 1x86 s VAL 35 CO -0.05 -0.88 1.21 -2.84 0.00 0.00 0.00 175.10 172.55 1x86 s PRO 36 N 4.52 4.04 0.02 2.72 0.02 -1.26 -4.98 135.00 140.07 1x86 s PRO 36 Ca 0.52 1.94 -0.18 0.00 0.02 0.00 0.00 61.00 63.30 1x86 s PRO 36 Cb -0.10 -2.72 -0.30 0.00 0.02 0.00 0.00 34.50 31.41 1x86 s PRO 36 CO 0.30 -0.36 1.04 1.15 -0.33 0.00 0.00 177.00 178.80 1x86 h THR 37 N 2.39 1.36 -3.70 0.99 2.02 -1.99 -3.45 112.91 110.53 1x86 h THR 37 Ca -0.49 -2.45 -0.63 0.00 0.77 0.00 0.00 66.41 63.61 1x86 h THR 37 Cb 1.24 2.86 -0.15 0.00 -1.74 0.00 0.00 68.15 70.36 1x86 h THR 37 CO 0.63 0.73 -0.38 -0.69 0.37 0.00 0.00 175.52 176.18 1x86 s VAL 38 N -2.83 5.26 -0.38 3.16 1.01 -1.26 -4.97 120.40 120.39 1x86 s VAL 38 Ca -0.11 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.25 1x86 s VAL 38 Cb 0.04 -3.61 0.11 0.00 0.00 0.00 0.00 36.38 32.92 1x86 s VAL 38 CO 0.89 0.24 0.14 0.12 0.00 0.00 0.00 175.10 176.49 1x86 s PHE 39 N 1.62 3.66 0.28 5.22 5.36 -1.26 -5.11 117.98 127.75 1x86 s PHE 39 Ca 0.12 -2.67 -0.29 0.00 -0.96 0.00 0.00 56.93 53.13 1x86 s PHE 39 Cb -0.15 -3.09 -0.09 0.00 -0.34 0.00 0.00 43.02 39.34 1x86 s PHE 39 CO 0.09 -0.96 1.14 -1.21 -1.46 0.00 0.00 175.22 172.81 1x86 s GLU 40 N 1.04 4.58 -0.47 10.12 2.02 -1.26 -4.74 118.70 129.99 1x86 s GLU 40 Ca 0.09 1.87 -0.43 0.00 0.02 0.00 0.00 54.97 56.52 1x86 s GLU 40 Cb -0.21 -3.18 -0.18 0.00 0.10 0.00 0.00 34.13 30.66 1x86 s GLU 40 CO -0.06 0.12 2.09 0.09 0.02 0.00 0.00 175.26 177.53 1x86 n ASN 41 N 1.28 1.01 -4.96 -0.19 3.02 -1.26 -4.94 115.26 109.22 1x86 n ASN 41 Ca -0.00 0.69 -0.20 0.00 -0.03 0.00 0.00 54.58 55.04 1x86 n ASN 41 Cb 0.44 -0.95 -0.02 0.00 -0.61 0.00 0.00 39.78 38.64 1x86 n ASN 41 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1x86 s TYR 42 N 5.88 3.30 -0.20 3.10 5.04 -1.12 -4.98 117.35 128.37 1x86 s TYR 42 Ca 1.17 -0.10 0.01 0.00 -2.44 0.00 0.00 57.07 55.71 1x86 s TYR 42 Cb -1.40 -1.68 0.04 0.00 0.35 0.00 0.00 41.96 39.26 1x86 s TYR 42 CO 0.65 0.31 -0.12 0.08 -1.34 0.00 0.00 175.55 175.13 1x86 s VAL 43 N -2.07 1.71 -0.29 3.14 1.01 -1.26 -1.29 120.40 121.36 1x86 s VAL 43 Ca 0.37 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.24 1x86 s VAL 43 Cb -0.09 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1x86 s VAL 43 CO 0.29 0.22 0.18 0.00 0.00 0.00 0.00 175.10 175.79 1x86 s ALA 44 N 1.37 3.46 -0.34 5.51 0.00 0.68 -4.86 121.76 127.58 1x86 s ALA 44 Ca -0.01 -1.16 -0.23 0.00 0.00 0.00 0.00 51.96 50.57 1x86 s ALA 44 Cb -0.16 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.53 1x86 s ALA 44 CO -0.09 -0.62 0.78 -0.51 0.00 0.00 0.00 175.76 175.32 1x86 s ASP 45 N 1.72 6.60 0.13 0.00 -0.00 -1.26 -0.96 116.67 122.90 1x86 s ASP 45 Ca 0.07 0.49 0.06 0.00 -0.00 0.00 0.00 52.55 53.16 1x86 s ASP 45 Cb -0.16 -2.40 -0.04 0.00 -0.00 0.00 0.00 42.92 40.32 1x86 s ASP 45 CO 0.10 -0.67 -0.13 -0.51 -0.00 0.00 0.00 175.17 173.95 1x86 s ILE 46 N 3.02 1.32 -0.26 0.77 2.07 -1.22 -5.03 121.20 121.87 1x86 s ILE 46 Ca 0.31 -1.82 0.01 0.00 -1.41 0.00 0.00 60.65 57.74 1x86 s ILE 46 Cb -0.14 -1.63 0.07 0.00 0.13 0.00 0.00 42.46 40.90 1x86 s ILE 46 CO 0.15 -0.50 -0.03 -0.70 -1.91 0.00 0.00 174.94 171.95 1x86 s GLU 47 N -2.96 1.54 0.10 3.50 2.12 -1.26 -2.69 118.70 119.05 1x86 s GLU 47 Ca 0.11 -1.13 0.08 0.00 0.36 0.00 0.00 54.97 54.39 1x86 s GLU 47 Cb -0.03 -2.62 -0.03 0.00 0.26 0.00 0.00 34.13 31.71 1x86 s GLU 47 CO 0.03 -0.68 -0.20 0.14 -0.54 0.00 0.00 175.26 174.01 1x86 s VAL 48 N 1.34 1.60 0.00 3.70 -7.23 -1.05 -4.79 120.40 113.97 1x86 s VAL 48 Ca -0.02 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 1x86 s VAL 48 Cb -0.19 -1.47 0.00 0.00 0.56 0.00 0.00 36.38 35.28 1x86 s VAL 48 CO -0.08 -0.08 0.00 0.47 -0.31 0.00 0.00 175.10 175.09 1x86 n ASP 49 N 1.14 -4.14 -0.37 4.85 10.43 -1.26 -0.18 116.55 127.02 1x86 n ASP 49 Ca -0.20 0.00 -0.03 0.00 2.57 0.00 0.00 54.79 57.13 1x86 n ASP 49 Cb 0.54 -3.14 -0.00 0.00 1.84 0.00 0.00 41.12 40.36 1x86 n ASP 49 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1x86 n GLY 50 N 0.03 0.29 3.19 0.44 0.00 -1.26 -5.07 105.19 102.81 1x86 n GLY 50 Ca 0.00 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 1x86 n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x86 s LYS 51 N -4.22 2.66 -0.22 1.61 1.02 0.74 -5.13 119.74 116.20 1x86 s LYS 51 Ca 0.01 -0.79 -0.10 0.00 0.02 0.00 0.00 55.97 55.11 1x86 s LYS 51 Cb -0.00 -2.08 -0.05 0.00 -0.52 0.00 0.00 37.83 35.18 1x86 s LYS 51 CO 0.01 0.19 0.13 -0.65 -0.92 0.00 0.00 175.35 174.11 1x86 s GLN 52 N 0.29 4.06 0.13 1.68 -1.52 -1.26 -2.55 119.66 120.50 1x86 s GLN 52 Ca -0.15 -0.28 0.10 0.00 -1.95 0.00 0.00 55.36 53.09 1x86 s GLN 52 Cb -0.17 -3.45 -0.04 0.00 -0.22 0.00 0.00 33.01 29.13 1x86 s GLN 52 CO 0.07 0.13 -0.25 0.08 -0.25 0.00 0.00 175.29 175.08 1x86 s VAL 53 N 0.83 2.11 -0.44 1.09 1.01 -1.09 -4.39 120.40 119.52 1x86 s VAL 53 Ca 0.07 -1.76 -0.19 0.00 0.00 0.00 0.00 61.98 60.10 1x86 s VAL 53 Cb -0.13 -1.90 0.03 0.00 0.00 0.00 0.00 36.38 34.38 1x86 s VAL 53 CO 0.02 -0.00 0.54 -1.61 0.00 0.00 0.00 175.10 174.05 1x86 s GLU 54 N -2.16 3.17 -0.52 2.72 2.02 -0.29 -3.42 118.70 120.23 1x86 s GLU 54 Ca 0.13 -0.61 -0.15 0.00 0.02 0.00 0.00 54.97 54.36 1x86 s GLU 54 Cb -0.09 -3.97 0.12 0.00 0.10 0.00 0.00 34.13 30.28 1x86 s GLU 54 CO 0.06 -0.95 0.46 -1.17 0.02 0.00 0.00 175.26 173.67 1x86 s LEU 55 N 2.46 6.02 -0.85 1.80 2.96 -0.14 -0.09 118.68 130.84 1x86 s LEU 55 Ca 0.17 -1.75 -0.25 0.00 -0.22 0.00 0.00 54.13 52.08 1x86 s LEU 55 Cb -0.16 -2.17 -0.02 0.00 0.50 0.00 0.00 46.19 44.34 1x86 s LEU 55 CO 0.16 -0.80 1.83 0.00 -1.32 0.00 0.00 176.35 176.21 1x86 s ALA 56 N 1.56 1.97 -0.02 5.97 0.00 -0.43 -0.23 121.76 130.58 1x86 s ALA 56 Ca 0.04 -1.44 -0.30 0.00 0.00 0.00 0.00 51.96 50.25 1x86 s ALA 56 Cb -0.29 -4.49 -0.05 0.00 0.00 0.00 0.00 23.12 18.30 1x86 s ALA 56 CO 0.03 -4.39 1.37 -0.51 0.00 0.00 0.00 175.76 172.26 1x86 s LEU 57 N 8.93 4.31 0.00 0.00 1.43 -0.41 -2.02 118.68 130.91 1x86 s LEU 57 Ca 0.64 2.05 0.00 0.00 -1.03 0.00 0.00 54.13 55.79 1x86 s LEU 57 Cb -0.07 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.59 1x86 s LEU 57 CO 0.03 -0.70 0.00 0.79 0.23 0.00 0.00 176.35 176.70 1x86 n TRP 58 N 5.42 -1.66 -3.57 0.29 7.02 -0.46 -2.78 117.44 121.70 1x86 n TRP 58 Ca 0.13 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.46 1x86 n TRP 58 Cb 0.44 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.27 1x86 n TRP 58 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1x86 s ASP 59 N -0.88 -0.60 -0.01 -0.99 2.15 -1.26 -4.49 116.67 110.60 1x86 s ASP 59 Ca 0.00 0.82 0.13 0.00 0.43 0.00 0.00 52.55 53.94 1x86 s ASP 59 Cb 0.00 0.72 -0.17 0.00 -0.30 0.00 0.00 42.92 43.18 1x86 s ASP 59 CO 0.00 -0.43 0.48 0.35 -0.17 0.00 0.00 175.17 175.40 1x86 n THR 60 N 1.39 0.00 -0.88 1.71 -2.24 -1.21 -4.93 114.28 108.12 1x86 n THR 60 Ca -0.15 -0.23 -0.39 0.00 -2.27 0.00 0.00 64.05 61.01 1x86 n THR 60 Cb 0.57 0.74 -0.07 0.00 -2.10 0.00 0.00 70.33 69.47 1x86 n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x86 n ALA 61 N -1.52 -0.22 0.00 6.98 0.00 -1.26 -0.51 120.51 123.98 1x86 n ALA 61 Ca 0.01 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1x86 n ALA 61 Cb 0.25 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1x86 n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x86 n GLY 62 N 3.81 1.94 0.06 0.00 0.00 -1.26 -4.94 105.19 104.80 1x86 n GLY 62 Ca 0.28 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.42 1x86 n GLY 62 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x86 n GLN 63 N 0.00 0.15 0.22 1.61 6.02 0.33 -4.16 117.38 121.55 1x86 n GLN 63 Ca 0.00 0.11 0.15 0.00 -0.01 0.00 0.00 57.00 57.25 1x86 n GLN 63 Cb 0.00 -1.66 0.72 0.00 1.02 0.00 0.00 30.24 30.32 1x86 n GLN 63 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1x86 h GLU 64 N 0.00 0.00 0.13 -1.09 3.07 -1.93 -2.09 114.58 112.67 1x86 h GLU 64 Ca 0.00 0.00 -0.36 0.00 -0.50 0.00 0.00 59.36 58.50 1x86 h GLU 64 Cb 0.64 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.53 1x86 h GLU 64 CO 0.00 0.00 -1.99 -0.25 -1.40 0.00 0.00 179.01 175.37 1x86 n ASP 65 N -2.64 2.12 -4.42 1.42 8.00 -1.26 -4.82 116.55 114.94 1x86 n ASP 65 Ca -0.00 0.22 -0.44 0.00 0.71 0.00 0.00 54.79 55.28 1x86 n ASP 65 Cb 0.17 -0.86 -0.04 0.00 -0.02 0.00 0.00 41.12 40.37 1x86 n ASP 65 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1x86 s TYR 66 N -2.56 2.84 0.07 1.24 2.02 -0.79 -4.93 117.35 115.24 1x86 s TYR 66 Ca -0.22 -0.71 -0.21 0.00 -0.37 0.00 0.00 57.07 55.56 1x86 s TYR 66 Cb 0.07 -4.11 -0.09 0.00 -0.40 0.00 0.00 41.96 37.42 1x86 s TYR 66 CO 0.77 -1.44 1.34 -0.44 -1.57 0.00 0.00 175.55 174.21 1x86 h ASP 67 N 9.35 -1.00 0.69 2.29 3.45 -1.88 -3.10 116.42 126.23 1x86 h ASP 67 Ca -0.29 0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.28 1x86 h ASP 67 Cb 1.08 0.37 0.00 0.00 -0.56 0.00 0.00 39.33 40.22 1x86 h ASP 67 CO 1.13 -0.34 0.00 0.03 -1.57 0.00 0.00 179.24 178.49 1x86 h ARG 68 N -0.45 0.00 0.00 3.56 2.47 -1.94 -3.33 114.38 114.69 1x86 h ARG 68 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1x86 h ARG 68 Cb 0.46 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 1x86 h ARG 68 CO -0.19 0.00 -0.10 -0.07 0.56 0.00 0.00 179.97 180.17 1x86 h LEU 69 N 0.00 0.00 -0.39 3.04 3.38 -1.90 -3.41 115.31 116.03 1x86 h LEU 69 Ca 0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1x86 h LEU 69 Cb 0.34 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 1x86 h LEU 69 CO 0.00 0.25 0.01 -1.14 0.09 0.00 0.00 178.44 177.64 1x86 n ARG 70 N -3.13 -0.03 0.00 1.13 0.63 -1.20 -0.32 116.66 113.74 1x86 n ARG 70 Ca -0.01 0.58 0.00 0.00 -0.92 0.00 0.00 57.85 57.50 1x86 n ARG 70 Cb 0.05 -0.93 0.00 0.00 0.45 0.00 0.00 32.46 32.03 1x86 n ARG 70 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1x86 n PRO 71 N -4.38 0.00 0.07 -0.14 -0.04 -1.26 -1.63 135.00 127.62 1x86 n PRO 71 Ca 0.09 0.30 0.13 0.00 -0.04 0.00 0.00 63.50 63.98 1x86 n PRO 71 Cb 0.30 -1.60 0.46 0.00 -0.04 0.00 0.00 33.50 32.62 1x86 n PRO 71 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1x86 n LEU 72 N -1.27 0.55 -0.11 1.53 4.77 0.56 -2.80 117.00 120.23 1x86 n LEU 72 Ca 0.00 0.52 0.14 0.00 -0.03 0.00 0.00 56.01 56.65 1x86 n LEU 72 Cb 0.10 -0.37 0.65 0.00 -2.33 0.00 0.00 43.42 41.47 1x86 n LEU 72 CO 0.00 -0.11 0.91 -1.20 -1.33 0.00 0.00 177.39 175.66 1x86 n SER 73 N -2.00 0.42 -0.06 -1.43 7.64 -0.64 -4.26 113.62 113.29 1x86 n SER 73 Ca 0.06 -0.60 -0.13 0.00 1.01 0.00 0.00 58.87 59.21 1x86 n SER 73 Cb 0.40 -0.09 -0.14 0.00 -1.01 0.00 0.00 64.21 63.37 1x86 n SER 73 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1x86 n TYR 74 N -0.95 0.57 -1.66 1.43 4.01 -1.12 -4.87 117.16 114.58 1x86 n TYR 74 Ca 0.15 0.17 -0.40 0.00 -0.16 0.00 0.00 57.90 57.66 1x86 n TYR 74 Cb 0.26 -1.09 0.02 0.00 -0.31 0.00 0.00 39.34 38.22 1x86 n TYR 74 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1x86 n PRO 75 N -3.07 1.56 -3.98 -0.72 -0.04 -1.26 -1.80 135.00 125.69 1x86 n PRO 75 Ca -0.29 0.56 -0.32 0.00 -0.04 0.00 0.00 63.50 63.41 1x86 n PRO 75 Cb 1.08 -2.24 0.01 0.00 -0.04 0.00 0.00 33.50 32.30 1x86 n PRO 75 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1x86 n ASP 76 N 0.10 -4.44 -4.90 3.54 8.00 -1.26 -4.98 116.55 112.61 1x86 n ASP 76 Ca 0.09 -0.82 -0.33 0.00 0.71 0.00 0.00 54.79 54.43 1x86 n ASP 76 Cb 0.41 -3.56 -0.05 0.00 -0.02 0.00 0.00 41.12 37.90 1x86 n ASP 76 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1x86 s THR 77 N -3.28 5.30 0.00 -3.53 2.01 -0.75 -4.56 115.64 110.83 1x86 s THR 77 Ca 0.68 -0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.66 1x86 s THR 77 Cb -0.35 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 68.56 1x86 s THR 77 CO 0.84 0.23 0.00 0.47 -0.69 0.00 0.00 174.62 175.47 1x86 n ASP 78 N 0.65 1.62 -4.16 3.53 8.00 -0.97 -4.93 116.55 120.30 1x86 n ASP 78 Ca -0.08 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.22 1x86 n ASP 78 Cb 0.52 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.49 1x86 n ASP 78 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1x86 s VAL 79 N -1.97 1.17 0.09 2.53 0.11 -1.22 -3.50 120.40 117.62 1x86 s VAL 79 Ca 0.00 -1.12 0.08 0.00 -2.93 0.00 0.00 61.98 58.01 1x86 s VAL 79 Cb 0.00 -1.08 -0.03 0.00 -1.53 0.00 0.00 36.38 33.74 1x86 s VAL 79 CO 0.00 -0.05 -0.21 -0.63 -3.33 0.00 0.00 175.10 170.88 1x86 s ILE 80 N -0.98 1.74 -0.36 7.04 1.01 -0.51 -2.79 121.20 126.35 1x86 s ILE 80 Ca 0.01 -1.49 0.03 0.00 0.00 0.00 0.00 60.65 59.20 1x86 s ILE 80 Cb -0.09 -1.56 0.10 0.00 0.01 0.00 0.00 42.46 40.93 1x86 s ILE 80 CO 0.02 0.00 0.09 -0.76 0.00 0.00 0.00 174.94 174.29 1x86 s LEU 81 N -1.77 4.12 -0.18 2.97 1.43 -1.01 -0.63 118.68 123.61 1x86 s LEU 81 Ca 0.07 -2.17 -0.27 0.00 -1.03 0.00 0.00 54.13 50.73 1x86 s LEU 81 Cb -0.10 -1.45 -0.01 0.00 0.03 0.00 0.00 46.19 44.66 1x86 s LEU 81 CO 0.04 -0.37 0.92 -0.32 0.23 0.00 0.00 176.35 176.85 1x86 s MET 82 N 0.89 4.29 0.16 1.70 1.75 -0.49 -1.39 119.30 126.21 1x86 s MET 82 Ca 0.12 1.17 0.05 0.00 -1.25 0.00 0.00 55.69 55.78 1x86 s MET 82 Cb -0.20 -3.60 -0.04 0.00 2.84 0.00 0.00 34.83 33.84 1x86 s MET 82 CO -0.10 -0.44 0.09 0.00 -0.65 0.00 0.00 175.02 173.93 1x86 s PHE 84 N -1.70 -0.08 0.11 0.00 -0.71 -1.22 -4.41 117.98 109.98 1x86 s PHE 84 Ca 0.30 -0.33 0.09 0.00 -1.04 0.00 0.00 56.93 55.95 1x86 s PHE 84 Cb -0.10 0.70 -0.04 0.00 -1.21 0.00 0.00 43.02 42.37 1x86 s PHE 84 CO 0.22 -1.06 -0.21 0.45 -1.34 0.00 0.00 175.22 173.28 1x86 s SER 85 N -3.02 3.71 0.45 1.98 0.15 -1.26 -2.16 113.70 113.55 1x86 s SER 85 Ca 0.14 -0.60 0.17 0.00 0.70 0.00 0.00 55.95 56.35 1x86 s SER 85 Cb -0.03 -0.46 1.03 0.00 -1.71 0.00 0.00 66.02 64.84 1x86 s SER 85 CO 0.05 0.19 1.97 0.40 1.20 0.00 0.00 173.24 177.05 1x86 h ILE 86 N 3.68 1.05 -0.66 6.45 1.08 -1.27 -2.45 117.51 125.39 1x86 h ILE 86 Ca -0.50 -0.75 -0.41 0.00 -0.39 0.00 0.00 64.86 62.81 1x86 h ILE 86 Cb 1.17 1.42 -0.20 0.00 -3.07 0.00 0.00 36.82 36.14 1x86 h ILE 86 CO 0.44 0.21 0.52 -0.90 -0.69 0.00 0.00 178.15 177.73 1x86 n ASP 87 N -4.14 5.53 -3.12 1.72 5.75 -1.26 -1.49 116.55 119.54 1x86 n ASP 87 Ca -0.02 -3.22 0.04 0.00 -0.01 0.00 0.00 54.79 51.57 1x86 n ASP 87 Cb 0.28 -0.91 -0.00 0.00 -1.03 0.00 0.00 41.12 39.46 1x86 n ASP 87 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1x86 s SER 88 N -0.53 -1.15 0.00 -1.12 0.15 -0.92 -4.96 113.70 105.17 1x86 s SER 88 Ca 0.41 -0.08 0.27 0.00 0.70 0.00 0.00 55.95 57.24 1x86 s SER 88 Cb 0.33 1.63 1.58 0.00 -1.71 0.00 0.00 66.02 67.86 1x86 s SER 88 CO 0.03 -0.18 1.96 -2.65 1.20 0.00 0.00 173.24 173.59 1x86 n PRO 89 N 4.94 0.88 0.08 5.44 -0.02 -1.26 -3.50 135.00 141.56 1x86 n PRO 89 Ca 0.07 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.45 1x86 n PRO 89 Cb 0.57 -1.47 -0.08 0.00 -0.02 0.00 0.00 33.50 32.50 1x86 n PRO 89 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1x86 h ASP 90 N 0.00 0.21 0.47 2.55 5.19 -1.93 -1.09 116.42 121.82 1x86 h ASP 90 Ca 0.00 -0.20 -0.30 0.00 -0.62 0.00 0.00 57.03 55.90 1x86 h ASP 90 Cb 0.00 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.43 1x86 h ASP 90 CO 0.00 1.09 -1.56 0.77 -3.12 0.00 0.00 179.24 176.42 1x86 h SER 91 N 0.06 0.31 0.04 6.45 4.64 -1.93 -3.10 113.55 120.02 1x86 h SER 91 Ca -0.06 -0.46 -0.04 0.00 -0.47 0.00 0.00 61.79 60.76 1x86 h SER 91 Cb 1.71 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.69 1x86 h SER 91 CO 0.15 1.39 -0.12 0.25 -0.87 0.00 0.00 176.83 177.63 1x86 h LEU 92 N 0.05 0.17 -0.58 5.97 6.46 -1.63 -1.76 115.31 123.99 1x86 h LEU 92 Ca -0.25 -0.03 -0.11 0.00 -0.12 0.00 0.00 57.88 57.37 1x86 h LEU 92 Cb 2.00 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 41.87 1x86 h LEU 92 CO 0.14 0.31 -0.54 -0.08 -0.62 0.00 0.00 178.44 177.64 1x86 h GLU 93 N 0.17 0.00 -0.21 1.25 4.81 -1.29 -2.91 114.58 116.40 1x86 h GLU 93 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1x86 h GLU 93 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1x86 h GLU 93 CO 0.02 0.54 0.00 0.09 -0.73 0.00 0.00 179.01 178.93 1x86 n ASN 94 N -3.50 1.15 0.08 1.04 4.13 -0.72 -4.05 115.26 113.38 1x86 n ASN 94 Ca 0.00 -1.95 -0.11 0.00 1.68 0.00 0.00 54.58 54.19 1x86 n ASN 94 Cb 0.64 -0.14 -0.08 0.00 -1.54 0.00 0.00 39.78 38.67 1x86 n ASN 94 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 1x86 h ILE 95 N 1.28 0.81 0.00 2.41 1.08 -1.19 -3.24 117.51 118.66 1x86 h ILE 95 Ca 0.00 -1.01 0.00 0.00 -0.39 0.00 0.00 64.86 63.46 1x86 h ILE 95 Cb 0.29 1.32 0.00 0.00 -3.07 0.00 0.00 36.82 35.36 1x86 h ILE 95 CO 0.00 0.20 -0.69 -0.81 -0.69 0.00 0.00 178.15 176.16 1x86 n PRO 96 N -4.97 0.17 -1.43 2.37 -0.05 -1.26 -1.63 135.00 128.21 1x86 n PRO 96 Ca -0.08 0.03 -0.22 0.00 -0.05 0.00 0.00 63.50 63.18 1x86 n PRO 96 Cb 0.26 -1.59 0.10 0.00 -0.05 0.00 0.00 33.50 32.22 1x86 n PRO 96 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 175.50 173.54 1x86 n GLU 97 N -1.82 2.75 0.00 0.54 4.07 -1.26 -4.50 120.64 120.42 1x86 n GLU 97 Ca 0.04 -3.56 0.00 0.00 -0.06 0.00 0.00 57.16 53.58 1x86 n GLU 97 Cb 0.40 -2.15 0.00 0.00 -0.06 0.00 0.00 31.44 29.63 1x86 n GLU 97 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1x86 n LYS 98 N -0.92 0.00 0.42 5.31 4.81 -1.23 -4.93 118.16 121.62 1x86 n LYS 98 Ca 0.48 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.75 1x86 n LYS 98 Cb 0.94 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.91 1x86 n LYS 98 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 1x86 h TRP 99 N 0.00 -1.00 -0.76 5.64 4.06 -1.57 -2.37 115.95 119.95 1x86 h TRP 99 Ca 0.00 -0.02 0.10 0.00 2.06 0.00 0.00 58.89 61.03 1x86 h TRP 99 Cb 0.00 0.33 -0.12 0.00 -1.00 0.00 0.00 29.16 28.37 1x86 h TRP 99 CO 0.00 -0.62 -0.47 1.15 -3.56 0.00 0.00 178.44 174.94 1x86 h THR 100 N -1.13 0.04 0.00 1.49 2.02 -1.60 1.22 112.91 114.95 1x86 h THR 100 Ca -0.11 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1x86 h THR 100 Cb 0.83 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1x86 h THR 100 CO 0.18 0.00 0.00 1.55 0.37 0.00 0.00 175.52 177.62 1x86 h PRO 101 N -0.13 0.00 0.07 6.66 0.13 -1.78 0.43 132.00 137.37 1x86 h PRO 101 Ca 0.21 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 65.05 1x86 h PRO 101 Cb 0.54 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.65 1x86 h PRO 101 CO -0.81 0.00 -1.52 1.49 -0.23 0.00 0.00 178.00 176.93 1x86 h GLU 102 N 0.00 0.15 0.00 0.86 4.81 0.44 -2.97 114.58 117.87 1x86 h GLU 102 Ca 0.00 -0.26 -0.12 0.00 -0.13 0.00 0.00 59.36 58.85 1x86 h GLU 102 Cb 0.40 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1x86 h GLU 102 CO 0.00 0.96 -0.56 0.28 -0.73 0.00 0.00 179.01 178.96 1x86 h VAL 103 N 0.04 1.13 0.10 0.32 2.07 0.16 -3.04 116.25 117.03 1x86 h VAL 103 Ca -0.23 -2.12 -0.00 0.00 0.82 0.00 0.00 66.70 65.17 1x86 h VAL 103 Cb 1.98 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 33.99 1x86 h VAL 103 CO 0.13 0.55 -0.05 0.11 0.02 0.00 0.00 177.57 178.33 1x86 h LYS 104 N 0.00 -0.13 0.71 1.57 1.57 -0.28 -2.93 116.57 117.08 1x86 h LYS 104 Ca -0.01 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1x86 h LYS 104 Cb 1.20 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.53 1x86 h LYS 104 CO 0.07 -0.06 -0.42 1.25 -0.57 0.00 0.00 179.45 179.72 1x86 h HIS 105 N -0.16 -1.11 0.04 -1.35 2.76 -1.47 -3.33 115.15 110.53 1x86 h HIS 105 Ca -0.01 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.09 1x86 h HIS 105 Cb 0.13 0.39 0.01 0.00 1.55 0.00 0.00 27.41 29.48 1x86 h HIS 105 CO -0.06 -0.64 -0.25 0.74 -1.30 0.00 0.00 177.93 176.42 1x86 h PHE 106 N -1.06 0.17 -3.32 5.26 0.04 -1.70 -3.41 116.94 112.92 1x86 h PHE 106 Ca -0.09 -0.12 -0.70 0.00 2.80 0.00 0.00 57.97 59.85 1x86 h PHE 106 Cb 0.85 -0.01 -0.35 0.00 2.20 0.00 0.00 35.95 38.63 1x86 h PHE 106 CO -0.09 1.08 -0.11 0.00 -0.60 0.00 0.00 178.31 178.60 1x86 s PRO 108 N -1.32 3.37 -1.42 0.00 0.04 -1.25 -3.48 135.00 130.93 1x86 s PRO 108 Ca 0.27 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.59 1x86 s PRO 108 Cb -0.08 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1x86 s PRO 108 CO -0.12 -0.78 0.00 0.09 0.04 0.00 0.00 177.00 176.23 1x86 n ASN 109 N -1.81 -4.32 -4.27 6.66 4.13 -1.26 -4.93 115.26 109.47 1x86 n ASN 109 Ca 0.09 0.23 -0.44 0.00 1.68 0.00 0.00 54.58 56.14 1x86 n ASN 109 Cb 0.53 -3.77 -0.05 0.00 -1.54 0.00 0.00 39.78 34.95 1x86 n ASN 109 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1x86 s VAL 110 N -2.56 5.04 0.04 2.41 1.01 -1.23 -5.02 120.40 120.09 1x86 s VAL 110 Ca 0.00 -2.32 -0.38 0.00 0.00 0.00 0.00 61.98 59.28 1x86 s VAL 110 Cb 0.00 -4.18 -0.17 0.00 0.00 0.00 0.00 36.38 32.03 1x86 s VAL 110 CO 0.00 -0.95 1.31 -0.81 0.00 0.00 0.00 175.10 174.65 1x86 n PRO 111 N 4.20 0.89 -4.46 2.72 -0.04 -1.23 -4.58 135.00 132.51 1x86 n PRO 111 Ca 0.06 0.32 -0.34 0.00 -0.04 0.00 0.00 63.50 63.49 1x86 n PRO 111 Cb 0.43 -1.93 -0.11 0.00 -0.04 0.00 0.00 33.50 31.85 1x86 n PRO 111 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1x86 s ILE 112 N 0.57 3.96 0.24 0.52 1.01 -1.26 -1.43 121.20 124.80 1x86 s ILE 112 Ca 0.87 -0.36 0.07 0.00 0.00 0.00 0.00 60.65 61.23 1x86 s ILE 112 Cb -1.04 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 1x86 s ILE 112 CO 0.50 0.56 0.13 -0.63 0.00 0.00 0.00 174.94 175.50 1x86 s ILE 113 N -0.34 4.18 0.14 2.92 -1.09 0.20 -1.34 121.20 125.87 1x86 s ILE 113 Ca 0.06 -1.47 0.09 0.00 -2.23 0.00 0.00 60.65 57.10 1x86 s ILE 113 Cb -0.12 -3.22 -0.04 0.00 -1.58 0.00 0.00 42.46 37.49 1x86 s ILE 113 CO 0.02 -0.30 -0.16 -0.22 -1.23 0.00 0.00 174.94 173.06 1x86 s LEU 114 N -3.62 2.78 -0.31 2.97 2.96 -1.19 -1.40 118.68 120.86 1x86 s LEU 114 Ca 0.32 -0.59 -0.01 0.00 -0.22 0.00 0.00 54.13 53.63 1x86 s LEU 114 Cb -0.08 -1.56 0.10 0.00 0.50 0.00 0.00 46.19 45.15 1x86 s LEU 114 CO 0.23 0.15 0.10 -0.69 -1.32 0.00 0.00 176.35 174.82 1x86 s VAL 115 N -1.38 0.84 -1.04 1.68 1.01 -0.94 -2.79 120.40 117.77 1x86 s VAL 115 Ca 0.21 -1.37 -0.23 0.00 0.00 0.00 0.00 61.98 60.58 1x86 s VAL 115 Cb -0.10 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1x86 s VAL 115 CO 0.12 -0.68 1.88 -0.83 0.00 0.00 0.00 175.10 175.59 1x86 s GLY 116 N 1.64 0.38 0.29 4.51 0.00 -0.19 -3.40 107.32 110.55 1x86 s GLY 116 Ca 0.10 -1.91 -0.28 0.00 0.00 0.00 0.00 44.72 42.63 1x86 s GLY 116 CO -0.26 3.38 0.96 0.21 0.00 0.00 0.00 173.10 177.40 1x86 s ASN 117 N 6.92 7.43 -1.01 1.64 3.84 -0.92 0.46 114.94 133.30 1x86 s ASN 117 Ca 0.66 1.92 -0.05 0.00 0.21 0.00 0.00 52.86 55.60 1x86 s ASN 117 Cb -0.03 -2.60 -0.06 0.00 -0.55 0.00 0.00 41.25 38.01 1x86 s ASN 117 CO 0.04 -0.00 0.88 0.29 -2.79 0.00 0.00 177.10 175.52 1x86 n LYS 118 N 0.94 -2.39 0.23 0.43 5.02 -1.03 -1.03 118.16 120.34 1x86 n LYS 118 Ca 0.00 0.83 0.10 0.00 -2.02 0.00 0.00 58.31 57.22 1x86 n LYS 118 Cb 0.48 -5.64 0.56 0.00 -0.02 0.00 0.00 35.03 30.41 1x86 n LYS 118 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1x86 h LYS 119 N -1.08 0.00 0.00 1.97 3.64 -0.87 -3.04 116.57 117.19 1x86 h LYS 119 Ca -0.58 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.77 1x86 h LYS 119 Cb 1.30 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1x86 h LYS 119 CO 0.42 0.21 -0.12 0.38 -2.27 0.00 0.00 179.45 178.07 1x86 h ASP 120 N 0.00 0.00 0.65 4.20 2.03 -1.92 -3.13 116.42 118.25 1x86 h ASP 120 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1x86 h ASP 120 Cb 0.57 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.07 1x86 h ASP 120 CO 0.03 0.12 0.00 0.18 -1.03 0.00 0.00 179.24 178.54 1x86 n LEU 121 N -3.30 0.69 -0.26 0.15 4.77 -1.15 -2.76 117.00 115.15 1x86 n LEU 121 Ca -0.00 0.69 0.03 0.00 -0.03 0.00 0.00 56.01 56.69 1x86 n LEU 121 Cb 0.35 -0.61 0.15 0.00 -2.33 0.00 0.00 43.42 40.98 1x86 n LEU 121 CO 0.30 -0.63 1.07 -0.09 -1.33 0.00 0.00 177.39 176.71 1x86 h ARG 122 N 0.00 0.58 -2.50 3.23 2.43 -1.76 -2.65 114.38 113.71 1x86 h ARG 122 Ca 0.00 -0.03 -0.77 0.00 -0.81 0.00 0.00 59.98 58.37 1x86 h ARG 122 Cb 0.32 -0.13 -0.30 0.00 -0.42 0.00 0.00 29.97 29.44 1x86 h ARG 122 CO 0.00 0.38 0.64 -1.71 -1.51 0.00 0.00 179.97 177.77 1x86 n ASN 123 N -4.87 6.43 -4.55 -3.80 2.85 -1.11 -5.03 115.26 105.17 1x86 n ASN 123 Ca 0.12 -3.57 -0.29 0.00 -0.11 0.00 0.00 54.58 50.73 1x86 n ASN 123 Cb 0.31 -1.10 -0.10 0.00 1.24 0.00 0.00 39.78 40.12 1x86 n ASN 123 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1x86 s ASP 124 N -1.83 4.25 -0.01 1.20 -1.08 -1.00 -5.08 116.67 113.12 1x86 s ASP 124 Ca 0.37 -0.45 -0.00 0.00 -0.52 0.00 0.00 52.55 51.94 1x86 s ASP 124 Cb 0.14 -0.75 -0.00 0.00 -1.46 0.00 0.00 42.92 40.85 1x86 s ASP 124 CO -0.03 0.17 -0.00 -0.08 0.52 0.00 0.00 175.17 175.74 1x86 h GLU 125 N 3.56 0.00 -0.43 4.34 4.57 -1.96 -3.41 114.58 121.25 1x86 h GLU 125 Ca -0.49 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 57.72 1x86 h GLU 125 Cb 1.17 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.73 1x86 h GLU 125 CO 0.51 0.00 0.23 1.25 -1.18 0.00 0.00 179.01 179.81 1x86 h HIS 126 N -0.05 0.42 0.26 0.92 2.76 -1.99 -3.32 115.15 114.15 1x86 h HIS 126 Ca 0.00 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 1x86 h HIS 126 Cb 0.01 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 28.85 1x86 h HIS 126 CO -0.01 0.22 -0.13 1.79 -1.30 0.00 0.00 177.93 178.51 1x86 h THR 127 N 0.45 0.00 0.00 6.26 1.35 -1.95 -3.29 112.91 115.73 1x86 h THR 127 Ca 0.18 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.04 1x86 h THR 127 Cb 0.08 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.50 1x86 h THR 127 CO -0.12 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.69 1x86 n ARG 128 N -2.95 0.00 0.31 4.72 1.74 -1.25 0.24 116.66 119.47 1x86 n ARG 128 Ca -0.04 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.91 1x86 n ARG 128 Cb 0.14 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.52 1x86 n ARG 128 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1x86 h ARG 129 N 0.00 -0.77 -1.15 5.56 2.43 -1.79 0.14 114.38 118.81 1x86 h ARG 129 Ca 0.00 0.05 0.35 0.00 -0.81 0.00 0.00 59.98 59.58 1x86 h ARG 129 Cb 0.00 0.17 -0.12 0.00 -0.42 0.00 0.00 29.97 29.60 1x86 h ARG 129 CO 0.00 -0.51 0.72 0.93 -1.51 0.00 0.00 179.97 179.60 1x86 h GLU 130 N -0.82 0.23 0.34 0.20 4.39 0.29 1.59 114.58 120.81 1x86 h GLU 130 Ca -0.08 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 1x86 h GLU 130 Cb 0.61 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1x86 h GLU 130 CO 0.13 0.15 -0.17 -0.07 -1.16 0.00 0.00 179.01 177.90 1x86 h LEU 131 N 0.24 -0.39 -1.38 1.33 3.38 -1.45 -3.24 115.31 113.80 1x86 h LEU 131 Ca 0.73 -0.15 0.23 0.00 0.09 0.00 0.00 57.88 58.77 1x86 h LEU 131 Cb 2.01 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 42.77 1x86 h LEU 131 CO -0.43 -0.02 0.63 0.00 0.09 0.00 0.00 178.44 178.71 1x86 h ALA 132 N -0.33 2.14 -1.28 1.53 0.00 0.46 0.30 119.26 122.09 1x86 h ALA 132 Ca -0.05 0.04 0.37 0.00 0.00 0.00 0.00 54.91 55.28 1x86 h ALA 132 Cb 0.52 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 1x86 h ALA 132 CO 0.08 -0.49 0.88 0.87 0.00 0.00 0.00 179.25 180.58 1x86 h LYS 133 N 0.46 0.12 -0.63 0.00 1.79 0.12 0.45 116.57 118.86 1x86 h LYS 133 Ca 0.54 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.00 1x86 h LYS 133 Cb 1.28 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1x86 h LYS 133 CO -0.26 0.08 0.00 -1.33 -1.08 0.00 0.00 179.45 176.86 1x86 n MET 134 N -4.36 4.04 -3.58 3.15 2.81 0.02 -4.91 117.12 114.27 1x86 n MET 134 Ca 0.30 -2.97 -0.21 0.00 -1.81 0.00 0.00 57.70 53.01 1x86 n MET 134 Cb 1.29 -1.99 0.07 0.00 -0.71 0.00 0.00 33.22 31.88 1x86 n MET 134 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1x86 n LYS 135 N 1.00 -6.69 -4.26 0.03 5.02 0.16 -5.03 118.16 108.39 1x86 n LYS 135 Ca 0.26 0.78 -0.14 0.00 -2.02 0.00 0.00 58.31 57.19 1x86 n LYS 135 Cb 0.97 -5.73 -0.10 0.00 -0.02 0.00 0.00 35.03 30.16 1x86 n LYS 135 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1x86 s GLN 136 N -5.91 1.14 0.15 1.97 -0.21 -0.75 -4.96 119.66 111.08 1x86 s GLN 136 Ca 0.27 -1.55 -0.01 0.00 0.02 0.00 0.00 55.36 54.09 1x86 s GLN 136 Cb -0.12 -0.37 -0.04 0.00 1.00 0.00 0.00 33.01 33.48 1x86 s GLN 136 CO 0.75 -0.10 0.07 -1.83 -2.12 0.00 0.00 175.29 172.07 1x86 s GLU 137 N -3.88 0.99 1.04 2.91 -1.05 -1.26 -1.28 118.70 116.17 1x86 s GLU 137 Ca 0.24 -1.49 -0.14 0.00 -0.15 0.00 0.00 54.97 53.43 1x86 s GLU 137 Cb 0.06 0.23 0.21 0.00 -0.44 0.00 0.00 34.13 34.18 1x86 s GLU 137 CO 0.04 -0.28 1.11 -2.14 0.95 0.00 0.00 175.26 174.94 1x86 s PRO 138 N -4.07 0.09 0.15 -4.83 0.02 -1.26 -4.75 135.00 120.35 1x86 s PRO 138 Ca 0.27 0.28 -0.07 0.00 0.02 0.00 0.00 61.00 61.50 1x86 s PRO 138 Cb 0.07 -1.72 -0.06 0.00 0.02 0.00 0.00 34.50 32.81 1x86 s PRO 138 CO 0.04 -2.91 0.43 0.08 -0.33 0.00 0.00 177.00 174.31 1x86 s VAL 139 N -3.07 5.09 0.32 3.83 1.01 -0.56 -5.04 120.40 121.99 1x86 s VAL 139 Ca 0.67 0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.94 1x86 s VAL 139 Cb -0.15 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 1x86 s VAL 139 CO 0.56 0.05 0.35 -0.54 0.00 0.00 0.00 175.10 175.52 1x86 s LYS 140 N -2.56 2.93 0.16 2.72 -0.14 -1.26 -4.97 119.74 116.61 1x86 s LYS 140 Ca 0.41 -1.14 -0.14 0.00 -1.36 0.00 0.00 55.97 53.75 1x86 s LYS 140 Cb -0.12 -2.63 0.04 0.00 -1.68 0.00 0.00 37.83 33.44 1x86 s LYS 140 CO 0.23 0.14 1.72 -1.35 -0.76 0.00 0.00 175.35 175.33 1x86 h PRO 141 N 1.15 0.74 -0.46 -1.68 0.11 -1.99 -2.67 132.00 127.19 1x86 h PRO 141 Ca -0.46 -0.12 0.10 0.00 0.11 0.00 0.00 66.00 65.63 1x86 h PRO 141 Cb 1.25 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1x86 h PRO 141 CO 0.57 0.64 0.32 0.93 -0.21 0.00 0.00 178.00 180.24 1x86 h GLU 142 N 0.67 0.18 -0.18 1.05 5.08 -1.98 0.74 114.58 120.14 1x86 h GLU 142 Ca 0.17 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1x86 h GLU 142 Cb 0.16 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1x86 h GLU 142 CO -0.02 0.12 -0.06 0.93 -1.00 0.00 0.00 179.01 178.98 1x86 h GLU 143 N 0.19 0.36 -0.19 2.33 5.08 -1.91 -3.10 114.58 117.35 1x86 h GLU 143 Ca 0.22 -0.15 -0.20 0.00 -1.00 0.00 0.00 59.36 58.23 1x86 h GLU 143 Cb 0.61 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1x86 h GLU 143 CO -0.04 0.65 -0.68 0.78 -1.00 0.00 0.00 179.01 178.72 1x86 h GLY 144 N 0.06 0.82 0.42 -3.84 0.00 -0.73 -2.04 103.07 97.76 1x86 h GLY 144 Ca 0.04 -1.08 0.03 0.00 0.00 0.00 0.00 47.33 46.33 1x86 h GLY 144 CO 0.02 0.96 -0.27 3.21 0.00 0.00 0.00 176.54 180.47 1x86 h ARG 145 N 0.54 -0.41 0.00 4.80 3.08 0.29 -0.25 114.38 122.43 1x86 h ARG 145 Ca -0.02 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1x86 h ARG 145 Cb 1.29 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.43 1x86 h ARG 145 CO 0.14 -0.27 0.00 -3.47 -1.07 0.00 0.00 179.97 175.30 1x86 n ASP 146 N -5.38 0.00 0.10 7.04 -0.08 -1.17 -0.22 116.55 116.85 1x86 n ASP 146 Ca -0.05 0.22 -0.23 0.00 -1.51 0.00 0.00 54.79 53.22 1x86 n ASP 146 Cb 0.29 -0.40 -0.15 0.00 2.34 0.00 0.00 41.12 43.20 1x86 n ASP 146 CO 0.00 0.00 0.00 -0.03 0.12 0.00 0.00 177.20 177.29 1x86 h MET 147 N 0.00 0.44 -0.32 -0.67 4.05 -0.84 -1.18 114.93 116.41 1x86 h MET 147 Ca 0.00 -0.75 -0.16 0.00 -0.28 0.00 0.00 59.70 58.51 1x86 h MET 147 Cb 0.38 0.28 -0.01 0.00 -0.80 0.00 0.00 31.60 31.45 1x86 h MET 147 CO 0.00 1.36 -0.44 0.00 0.23 0.00 0.00 176.91 178.06 1x86 h ALA 148 N 0.11 0.62 0.00 0.39 0.00 -0.82 -2.44 119.26 117.13 1x86 h ALA 148 Ca -0.23 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1x86 h ALA 148 Cb 1.97 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1x86 h ALA 148 CO 0.22 0.68 0.00 0.09 0.00 0.00 0.00 179.25 180.23 1x86 n ASN 149 N -4.03 0.47 0.01 0.00 4.13 0.70 -2.40 115.26 114.14 1x86 n ASN 149 Ca -0.03 0.62 -0.01 0.00 1.68 0.00 0.00 54.58 56.85 1x86 n ASN 149 Cb 0.57 -0.72 -0.00 0.00 -1.54 0.00 0.00 39.78 38.08 1x86 n ASN 149 CO 0.00 0.00 0.00 -0.09 0.28 0.00 0.00 177.26 177.45 1x86 h ARG 150 N 0.00 -0.05 -2.42 3.52 2.43 -0.77 -3.40 114.38 113.70 1x86 h ARG 150 Ca 0.00 0.00 -0.44 0.00 -0.81 0.00 0.00 59.98 58.74 1x86 h ARG 150 Cb 0.32 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 1x86 h ARG 150 CO 0.00 -0.03 1.47 0.44 -1.51 0.00 0.00 179.97 180.34 1x86 n ILE 151 N -2.72 3.69 -1.54 1.20 -5.35 -0.96 -4.73 119.36 108.95 1x86 n ILE 151 Ca -0.01 -2.25 0.00 0.00 -0.27 0.00 0.00 62.75 60.23 1x86 n ILE 151 Cb 0.02 -2.20 0.00 0.00 -1.74 0.00 0.00 39.64 35.72 1x86 n ILE 151 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1x86 n GLY 152 N 2.69 -0.18 3.71 3.28 0.00 -1.25 -4.85 105.19 108.59 1x86 n GLY 152 Ca 0.58 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.23 1x86 n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x86 s ALA 153 N -1.36 3.54 0.00 4.61 0.00 -1.01 -4.91 121.76 122.63 1x86 s ALA 153 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1x86 s ALA 153 Cb 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 23.12 20.57 1x86 s ALA 153 CO 0.00 -0.04 0.00 0.34 0.00 0.00 0.00 175.76 176.06 1x86 n PHE 154 N 3.84 0.00 0.00 0.00 -0.00 -0.45 -4.64 117.46 116.21 1x86 n PHE 154 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.36 1x86 n PHE 154 Cb 0.52 -0.42 0.00 0.00 -0.00 0.00 0.00 39.48 39.58 1x86 n PHE 154 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1x86 n GLY 155 N -0.84 1.19 3.87 7.13 0.00 -1.25 -5.07 105.19 110.22 1x86 n GLY 155 Ca 0.00 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 1x86 n GLY 155 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1x86 s TYR 156 N -2.00 3.47 0.03 1.61 5.04 -1.26 -3.18 117.35 121.06 1x86 s TYR 156 Ca 0.00 1.06 -0.25 0.00 -2.44 0.00 0.00 57.07 55.44 1x86 s TYR 156 Cb 0.00 -2.46 0.06 0.00 0.35 0.00 0.00 41.96 39.91 1x86 s TYR 156 CO 0.00 -0.12 0.59 1.41 -1.34 0.00 0.00 175.55 176.09 1x86 s MET 157 N -3.85 1.09 0.36 4.97 -2.45 -1.12 -4.91 119.30 113.39 1x86 s MET 157 Ca 0.52 -0.11 0.09 0.00 -1.25 0.00 0.00 55.69 54.94 1x86 s MET 157 Cb -0.10 0.50 -0.06 0.00 1.25 0.00 0.00 34.83 36.42 1x86 s MET 157 CO 0.31 -0.39 -0.03 -1.21 1.05 0.00 0.00 175.02 174.75 1x86 s GLU 158 N -2.25 1.94 0.00 4.11 2.02 -1.26 -1.02 118.70 122.25 1x86 s GLU 158 Ca -0.06 -1.91 -0.28 0.00 0.02 0.00 0.00 54.97 52.74 1x86 s GLU 158 Cb -0.01 -1.77 0.09 0.00 0.10 0.00 0.00 34.13 32.55 1x86 s GLU 158 CO 0.00 0.09 0.81 0.00 0.02 0.00 0.00 175.26 176.18 1x86 s SER 160 N -2.16 4.81 0.18 0.00 0.15 0.20 -0.42 113.70 116.45 1x86 s SER 160 Ca 0.01 -1.39 -0.11 0.00 0.70 0.00 0.00 55.95 55.16 1x86 s SER 160 Cb -0.01 -1.68 0.09 0.00 -1.71 0.00 0.00 66.02 62.72 1x86 s SER 160 CO -0.06 -0.27 1.76 0.00 1.20 0.00 0.00 173.24 175.87 1x86 h ALA 161 N 7.93 0.82 -0.00 5.45 0.00 -1.94 -2.33 119.26 129.19 1x86 h ALA 161 Ca -0.19 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1x86 h ALA 161 Cb 1.05 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1x86 h ALA 161 CO 0.52 0.41 -0.08 1.63 0.00 0.00 0.00 179.25 181.74 1x86 n LYS 162 N -4.46 0.88 0.00 0.00 5.02 -1.26 -3.54 118.16 114.80 1x86 n LYS 162 Ca 0.04 -0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.03 1x86 n LYS 162 Cb 0.14 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1x86 n LYS 162 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1x86 n THR 163 N -0.79 0.00 -0.98 -0.18 -2.24 -1.22 -4.93 114.28 103.93 1x86 n THR 163 Ca 0.17 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1x86 n THR 163 Cb 0.26 1.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 1x86 n THR 163 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1x86 n LYS 164 N -0.21 -0.06 -2.46 -0.78 4.81 -0.90 -4.99 118.16 113.57 1x86 n LYS 164 Ca 0.00 0.01 -0.43 0.00 -0.87 0.00 0.00 58.31 57.02 1x86 n LYS 164 Cb 0.07 -2.85 -0.02 0.00 0.02 0.00 0.00 35.03 32.25 1x86 n LYS 164 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1x86 s ASP 165 N -2.53 6.48 0.00 3.14 -1.08 -1.08 -3.01 116.67 118.60 1x86 s ASP 165 Ca 0.00 0.70 0.00 0.00 -0.52 0.00 0.00 52.55 52.73 1x86 s ASP 165 Cb 0.00 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 1x86 s ASP 165 CO 0.00 -1.34 0.00 0.61 0.52 0.00 0.00 175.17 174.96 1x86 n GLY 166 N 4.93 0.74 0.13 2.66 0.00 -1.26 -0.63 105.19 111.75 1x86 n GLY 166 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 1x86 n GLY 166 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1x86 h VAL 167 N 0.00 1.44 -0.18 1.61 2.07 -1.83 -2.88 116.25 116.48 1x86 h VAL 167 Ca 0.00 -1.83 -0.04 0.00 0.82 0.00 0.00 66.70 65.66 1x86 h VAL 167 Cb 0.00 2.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1x86 h VAL 167 CO 0.00 0.52 -0.05 -0.09 0.02 0.00 0.00 177.57 177.97 1x86 h ARG 168 N -0.20 0.27 0.34 1.57 9.65 -1.93 -2.76 114.38 121.32 1x86 h ARG 168 Ca -0.03 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.78 1x86 h ARG 168 Cb 1.04 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.58 1x86 h ARG 168 CO 0.07 0.35 -0.16 0.93 2.80 0.00 0.00 179.97 183.96 1x86 h GLU 169 N 0.27 -0.44 -0.51 0.20 3.07 -1.92 0.13 114.58 115.37 1x86 h GLU 169 Ca 0.06 0.03 0.10 0.00 -0.50 0.00 0.00 59.36 59.05 1x86 h GLU 169 Cb 0.27 0.10 -0.11 0.00 -0.84 0.00 0.00 28.75 28.17 1x86 h GLU 169 CO 0.01 -0.21 -0.30 0.28 -1.40 0.00 0.00 179.01 177.39 1x86 h VAL 170 N -0.59 0.24 -0.41 3.13 2.07 -1.33 -1.08 116.25 118.29 1x86 h VAL 170 Ca -0.05 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.36 1x86 h VAL 170 Cb 0.43 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1x86 h VAL 170 CO 0.08 0.00 -0.21 -0.26 0.02 0.00 0.00 177.57 177.20 1x86 h PHE 171 N -0.17 0.91 -0.86 1.57 0.04 -1.32 -0.56 116.94 116.56 1x86 h PHE 171 Ca 0.22 -0.21 0.07 0.00 2.80 0.00 0.00 57.97 60.86 1x86 h PHE 171 Cb 0.53 -0.22 -0.07 0.00 2.20 0.00 0.00 35.95 38.39 1x86 h PHE 171 CO -0.57 0.94 0.52 0.93 -0.60 0.00 0.00 178.31 179.54 1x86 h GLU 172 N 0.71 0.90 -0.40 1.51 5.08 -0.70 -1.99 114.58 119.69 1x86 h GLU 172 Ca 0.10 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 1x86 h GLU 172 Cb 0.73 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1x86 h GLU 172 CO 0.06 0.59 -0.12 1.98 -1.00 0.00 0.00 179.01 180.52 1x86 h MET 173 N 0.93 0.72 -0.10 2.33 4.05 -0.02 -0.86 114.93 121.98 1x86 h MET 173 Ca 0.39 -0.24 -0.09 0.00 -0.28 0.00 0.00 59.70 59.48 1x86 h MET 173 Cb 0.24 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.97 1x86 h MET 173 CO -0.20 0.82 -0.34 0.00 0.23 0.00 0.00 176.91 177.42 1x86 h ALA 174 N 1.21 1.24 -0.00 0.39 0.00 -0.75 -1.34 119.26 120.01 1x86 h ALA 174 Ca 0.11 -0.35 -0.27 0.00 0.00 0.00 0.00 54.91 54.40 1x86 h ALA 174 Cb 0.58 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.31 1x86 h ALA 174 CO 0.04 0.52 -1.04 1.15 0.00 0.00 0.00 179.25 179.91 1x86 h THR 175 N 0.17 1.28 -0.09 0.00 2.02 -0.74 -2.10 112.91 113.44 1x86 h THR 175 Ca 0.02 -2.25 -0.00 0.00 0.77 0.00 0.00 66.41 64.95 1x86 h THR 175 Cb 0.69 2.38 -0.00 0.00 -1.74 0.00 0.00 68.15 69.48 1x86 h THR 175 CO 0.05 0.70 0.05 0.03 0.37 0.00 0.00 175.52 176.72 1x86 h ARG 176 N 0.39 0.12 -0.28 6.66 3.08 -1.12 -2.53 114.38 120.71 1x86 h ARG 176 Ca -0.13 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 59.93 1x86 h ARG 176 Cb 1.69 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.70 1x86 h ARG 176 CO 0.20 0.13 0.19 0.00 -1.07 0.00 0.00 179.97 179.42 1x86 h ALA 177 N 0.99 1.88 0.08 0.04 0.00 -1.23 -2.69 119.26 118.32 1x86 h ALA 177 Ca 0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1x86 h ALA 177 Cb 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1x86 h ALA 177 CO -0.01 0.09 -0.04 0.00 0.00 0.00 0.00 179.25 179.30 1x86 h ALA 178 N 1.84 -0.11 -0.12 0.00 0.00 -1.23 -3.31 119.26 116.33 1x86 h ALA 178 Ca 0.11 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1x86 h ALA 178 Cb 0.06 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1x86 h ALA 178 CO -0.02 -0.35 -0.27 -0.07 0.00 0.00 0.00 179.25 178.53 1x86 h LEU 179 N -0.52 -0.84 -9.55 0.00 3.38 -1.14 -3.41 115.31 103.23 1x86 h LEU 179 Ca -0.01 0.13 -0.60 0.00 0.09 0.00 0.00 57.88 57.49 1x86 h LEU 179 Cb 0.44 0.36 0.09 0.00 0.09 0.00 0.00 40.66 41.65 1x86 h LEU 179 CO 0.02 -0.32 0.41 0.00 0.09 0.00 0.00 178.44 178.64 1x86 n GLN 180 N -5.39 1.74 0.00 1.13 6.02 -1.08 -5.14 117.38 114.67 1x86 n GLN 180 Ca -0.03 0.62 0.00 0.00 -0.01 0.00 0.00 57.00 57.57 1x86 n GLN 180 Cb 0.30 -2.16 0.00 0.00 1.02 0.00 0.00 30.24 29.40 1x86 n GLN 180 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05