#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x71 s THR 4 N 0.00 3.51 0.02 2.46 2.01 -1.26 -5.13 115.64 117.25 1x71 s THR 4 Ca 0.00 -0.70 0.02 0.00 0.31 0.00 0.00 61.69 61.33 1x71 s THR 4 Cb 0.00 -2.47 -0.01 0.00 0.01 0.00 0.00 72.50 70.02 1x71 s THR 4 CO 0.00 0.49 -0.08 -0.44 -0.69 0.00 0.00 174.62 173.90 1x71 s SER 5 N -1.11 0.91 -0.07 3.53 0.01 -1.26 -5.15 113.70 110.56 1x71 s SER 5 Ca 0.14 -0.32 0.02 0.00 1.31 0.00 0.00 55.95 57.11 1x71 s SER 5 Cb -0.11 -0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.09 1x71 s SER 5 CO 0.04 -0.03 -0.13 -1.81 0.41 0.00 0.00 173.24 171.73 1x71 s ASP 6 N -0.80 1.87 0.00 2.44 1.01 -1.26 -5.13 116.67 114.81 1x71 s ASP 6 Ca -0.02 -0.32 0.01 0.00 0.71 0.00 0.00 52.55 52.93 1x71 s ASP 6 Cb -0.06 -0.86 -0.00 0.00 1.01 0.00 0.00 42.92 43.00 1x71 s ASP 6 CO 0.00 0.03 -0.02 -0.76 0.21 0.00 0.00 175.17 174.64 1x71 s LEU 7 N 0.69 2.04 0.23 1.23 1.43 -1.26 -5.08 118.68 117.96 1x71 s LEU 7 Ca -0.14 -0.11 -0.30 0.00 -1.03 0.00 0.00 54.13 52.55 1x71 s LEU 7 Cb -0.16 -0.07 -0.10 0.00 0.03 0.00 0.00 46.19 45.89 1x71 s LEU 7 CO 0.03 -0.03 1.49 -0.63 0.23 0.00 0.00 176.35 177.45 1x71 s ILE 8 N -0.26 2.60 0.47 -0.59 1.01 -1.26 -4.94 121.20 118.23 1x71 s ILE 8 Ca -0.02 0.48 -0.24 0.00 0.00 0.00 0.00 60.65 60.88 1x71 s ILE 8 Cb -0.02 -3.31 -0.07 0.00 0.01 0.00 0.00 42.46 39.07 1x71 s ILE 8 CO -0.00 0.06 1.31 -2.84 0.00 0.00 0.00 174.94 173.47 1x71 s PRO 9 N 0.09 3.58 0.44 2.79 0.02 -1.26 -4.83 135.00 135.83 1x71 s PRO 9 Ca 0.63 2.14 -0.25 0.00 0.02 0.00 0.00 61.00 63.53 1x71 s PRO 9 Cb -0.43 -2.48 -0.08 0.00 0.02 0.00 0.00 34.50 31.52 1x71 s PRO 9 CO 0.40 -0.80 1.42 0.00 -0.33 0.00 0.00 177.00 177.68 1x71 s ALA 10 N -1.33 3.26 0.79 -1.55 0.00 -1.26 -4.95 121.76 116.72 1x71 s ALA 10 Ca 0.64 1.45 -0.11 0.00 0.00 0.00 0.00 51.96 53.93 1x71 s ALA 10 Cb -0.38 -3.58 0.07 0.00 0.00 0.00 0.00 23.12 19.23 1x71 s ALA 10 CO 0.46 -1.14 1.10 -1.25 0.00 0.00 0.00 175.76 174.93 1x71 s PRO 11 N -2.41 2.12 0.40 0.00 0.04 -1.26 -4.97 135.00 128.91 1x71 s PRO 11 Ca 0.60 0.63 -0.25 0.00 0.04 0.00 0.00 61.00 62.02 1x71 s PRO 11 Cb -0.43 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.10 1x71 s PRO 11 CO 0.56 -1.60 1.13 -1.25 0.04 0.00 0.00 177.00 175.88 1x71 s PRO 12 N -5.16 4.09 0.63 0.56 0.04 -1.26 -4.86 135.00 129.04 1x71 s PRO 12 Ca 0.61 1.73 0.33 0.00 0.04 0.00 0.00 61.00 63.71 1x71 s PRO 12 Cb -0.14 -2.64 1.84 0.00 0.04 0.00 0.00 34.50 33.60 1x71 s PRO 12 CO 0.54 -0.26 2.11 -0.07 0.04 0.00 0.00 177.00 179.36 1x71 h LEU 13 N 2.61 0.00 -0.89 -3.56 4.07 -1.95 0.18 115.31 115.77 1x71 h LEU 13 Ca -0.48 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.48 1x71 h LEU 13 Cb 1.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.97 1x71 h LEU 13 CO 0.62 0.00 0.00 -1.54 -1.08 0.00 0.00 178.44 176.44 1x71 n SER 14 N -3.33 0.64 -1.05 -0.43 3.41 -1.26 -1.08 113.62 110.52 1x71 n SER 14 Ca -0.00 0.69 0.10 0.00 -0.26 0.00 0.00 58.87 59.40 1x71 n SER 14 Cb 0.29 -0.81 0.27 0.00 -0.26 0.00 0.00 64.21 63.69 1x71 n SER 14 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1x71 n LYS 15 N -2.24 2.34 -3.96 4.33 5.02 0.63 -4.79 118.16 119.49 1x71 n LYS 15 Ca 0.01 -2.05 -0.33 0.00 -2.02 0.00 0.00 58.31 53.92 1x71 n LYS 15 Cb 0.18 -1.47 -0.14 0.00 -0.02 0.00 0.00 35.03 33.58 1x71 n LYS 15 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1x71 s VAL 16 N -1.37 2.60 0.78 -0.18 1.01 -0.24 -4.98 120.40 118.01 1x71 s VAL 16 Ca 0.39 -1.98 -0.13 0.00 0.00 0.00 0.00 61.98 60.25 1x71 s VAL 16 Cb 0.21 -2.74 0.06 0.00 0.00 0.00 0.00 36.38 33.92 1x71 s VAL 16 CO 0.29 -0.43 1.16 -2.84 0.00 0.00 0.00 175.10 173.28 1x71 s PRO 17 N 1.05 1.96 -0.09 2.72 0.02 -1.26 -5.02 135.00 134.38 1x71 s PRO 17 Ca 0.04 1.55 0.01 0.00 0.02 0.00 0.00 61.00 62.61 1x71 s PRO 17 Cb -0.20 -1.83 -0.03 0.00 0.02 0.00 0.00 34.50 32.46 1x71 s PRO 17 CO -0.05 -1.93 -0.10 -1.17 -0.33 0.00 0.00 177.00 173.42 1x71 s LEU 18 N -5.63 2.98 -0.00 -5.54 2.96 -1.26 -3.96 118.68 108.23 1x71 s LEU 18 Ca 0.69 -0.14 -0.30 0.00 -0.22 0.00 0.00 54.13 54.16 1x71 s LEU 18 Cb -0.24 -1.65 -0.07 0.00 0.50 0.00 0.00 46.19 44.72 1x71 s LEU 18 CO 0.50 0.29 1.74 -1.58 -1.32 0.00 0.00 176.35 175.97 1x71 s GLN 19 N -0.37 4.17 0.53 1.98 2.00 0.14 -4.88 119.66 123.23 1x71 s GLN 19 Ca 0.05 2.34 -0.21 0.00 -2.00 0.00 0.00 55.36 55.54 1x71 s GLN 19 Cb -0.12 -3.94 -0.05 0.00 0.80 0.00 0.00 33.01 29.69 1x71 s GLN 19 CO 0.02 -0.85 1.19 -0.65 -0.50 0.00 0.00 175.29 174.51 1x71 s GLN 20 N 3.82 3.32 -1.33 1.67 -1.52 -1.26 -3.56 119.66 120.80 1x71 s GLN 20 Ca 0.77 1.81 -0.01 0.00 -1.95 0.00 0.00 55.36 55.98 1x71 s GLN 20 Cb -0.37 -2.13 -0.00 0.00 -0.22 0.00 0.00 33.01 30.28 1x71 s GLN 20 CO 0.33 -0.92 0.60 0.09 -0.25 0.00 0.00 175.29 175.14 1x71 n ASN 21 N -1.12 -1.09 -4.70 5.90 3.02 -1.26 -4.85 115.26 111.16 1x71 n ASN 21 Ca 0.11 -0.90 -0.42 0.00 -0.03 0.00 0.00 54.58 53.34 1x71 n ASN 21 Cb 0.49 -3.67 -0.03 0.00 -0.61 0.00 0.00 39.78 35.96 1x71 n ASN 21 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1x71 s PHE 22 N -3.77 2.53 -0.63 3.10 2.19 -1.23 -4.98 117.98 115.19 1x71 s PHE 22 Ca 0.03 0.27 -0.13 0.00 0.33 0.00 0.00 56.93 57.43 1x71 s PHE 22 Cb -0.01 -4.06 0.16 0.00 -1.31 0.00 0.00 43.02 37.80 1x71 s PHE 22 CO 0.84 -4.19 0.56 -0.65 1.83 0.00 0.00 175.22 173.60 1x71 s GLN 23 N 2.15 3.06 0.29 10.12 -1.52 -1.26 -4.83 119.66 127.67 1x71 s GLN 23 Ca 0.76 -2.06 0.03 0.00 -1.95 0.00 0.00 55.36 52.14 1x71 s GLN 23 Cb -0.44 -4.22 0.66 0.00 -0.22 0.00 0.00 33.01 28.79 1x71 s GLN 23 CO 0.33 -1.27 1.77 0.38 -0.25 0.00 0.00 175.29 176.25 1x71 h ASP 24 N 8.25 0.70 -0.37 5.90 2.03 -2.00 -1.21 116.42 129.71 1x71 h ASP 24 Ca -0.12 0.10 -0.08 0.00 -0.73 0.00 0.00 57.03 56.20 1x71 h ASP 24 Cb 1.06 -0.03 -0.02 0.00 -0.83 0.00 0.00 39.33 39.51 1x71 h ASP 24 CO 0.87 0.26 -0.03 -0.55 -1.03 0.00 0.00 179.24 178.77 1x71 h ASN 25 N 0.72 0.74 1.38 4.15 -1.07 -2.00 -2.60 115.58 116.90 1x71 h ASN 25 Ca 0.54 -0.19 0.00 0.00 0.07 0.00 0.00 56.30 56.72 1x71 h ASN 25 Cb 0.80 -0.20 0.00 0.00 -2.07 0.00 0.00 38.32 36.85 1x71 h ASN 25 CO -0.38 0.83 0.00 1.56 0.07 0.00 0.00 177.43 179.51 1x71 h GLN 26 N 0.72 0.00 0.00 4.14 4.20 -1.66 -3.10 115.11 119.41 1x71 h GLN 26 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1x71 h GLN 26 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1x71 h GLN 26 CO 0.02 0.00 -0.19 0.34 -0.67 0.00 0.00 178.83 178.33 1x71 n PHE 27 N -2.74 0.06 -0.66 2.96 -0.00 -0.94 -4.83 117.46 111.31 1x71 n PHE 27 Ca 0.03 0.02 -0.31 0.00 -0.00 0.00 0.00 57.45 57.19 1x71 n PHE 27 Cb 0.39 -0.44 0.18 0.00 -0.00 0.00 0.00 39.48 39.61 1x71 n PHE 27 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1x71 n GLN 28 N -1.55 -0.77 0.00 -4.13 6.02 -1.17 -4.80 117.38 110.97 1x71 n GLN 28 Ca 0.06 -0.17 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 1x71 n GLN 28 Cb 0.35 -2.25 0.00 0.00 1.02 0.00 0.00 30.24 29.36 1x71 n GLN 28 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1x71 n GLY 29 N 0.62 -1.69 3.77 1.08 0.00 0.55 -4.87 105.19 104.65 1x71 n GLY 29 Ca 0.10 -2.05 -0.39 0.00 0.00 0.00 0.00 46.02 43.67 1x71 n GLY 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x71 s LYS 30 N 0.00 4.33 -0.05 1.61 2.20 -1.26 -0.70 119.74 125.87 1x71 s LYS 30 Ca 0.00 0.80 0.03 0.00 -0.36 0.00 0.00 55.97 56.44 1x71 s LYS 30 Cb 0.00 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 1x71 s LYS 30 CO 0.00 0.42 -0.13 -1.58 -0.36 0.00 0.00 175.35 173.70 1x71 s TRP 31 N -0.40 1.39 0.14 4.03 0.52 -0.09 -4.78 118.94 119.76 1x71 s TRP 31 Ca 0.32 -0.43 -0.14 0.00 0.02 0.00 0.00 56.10 55.88 1x71 s TRP 31 Cb -0.19 -0.98 -0.07 0.00 -1.15 0.00 0.00 33.47 31.08 1x71 s TRP 31 CO 0.19 -0.19 0.53 0.71 0.02 0.00 0.00 176.95 178.21 1x71 s TYR 32 N 0.31 3.60 -0.74 -1.98 2.02 0.14 -0.78 117.35 119.92 1x71 s TYR 32 Ca -0.07 1.02 -0.22 0.00 -0.37 0.00 0.00 57.07 57.42 1x71 s TYR 32 Cb -0.12 -2.34 0.07 0.00 -0.40 0.00 0.00 41.96 39.17 1x71 s TYR 32 CO 0.02 0.44 1.06 0.08 -1.57 0.00 0.00 175.55 175.58 1x71 s VAL 33 N -1.46 4.30 -0.38 0.71 1.01 -0.92 -0.42 120.40 123.24 1x71 s VAL 33 Ca 0.37 -0.51 0.23 0.00 0.00 0.00 0.00 61.98 62.08 1x71 s VAL 33 Cb -0.15 -4.75 -0.02 0.00 0.00 0.00 0.00 36.38 31.47 1x71 s VAL 33 CO 0.19 -1.54 1.09 1.33 0.00 0.00 0.00 175.10 176.17 1x71 n VAL 34 N 5.96 0.47 -3.97 2.92 0.24 -0.12 -4.53 118.33 119.31 1x71 n VAL 34 Ca 0.04 -0.44 -0.12 0.00 -2.04 0.00 0.00 64.34 61.78 1x71 n VAL 34 Cb 0.47 -0.20 -0.13 0.00 -1.47 0.00 0.00 33.84 32.51 1x71 n VAL 34 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1x71 s GLY 35 N -4.10 0.16 -0.07 7.63 0.00 -0.94 -3.55 107.32 106.45 1x71 s GLY 35 Ca 0.01 -0.29 -0.03 0.00 0.00 0.00 0.00 44.72 44.42 1x71 s GLY 35 CO 0.78 -0.30 0.16 -2.27 0.00 0.00 0.00 173.10 171.46 1x71 s LEU 36 N -0.60 0.56 0.02 0.66 2.96 -0.13 -0.09 118.68 122.04 1x71 s LEU 36 Ca -0.05 0.33 -0.05 0.00 -0.22 0.00 0.00 54.13 54.13 1x71 s LEU 36 Cb -0.04 0.39 -0.01 0.00 0.50 0.00 0.00 46.19 47.03 1x71 s LEU 36 CO -0.00 -0.17 0.09 0.00 -1.32 0.00 0.00 176.35 174.95 1x71 s ALA 37 N 1.37 -0.15 0.00 5.97 0.00 -0.12 0.48 121.76 129.30 1x71 s ALA 37 Ca -0.07 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.51 1x71 s ALA 37 Cb -0.12 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1x71 s ALA 37 CO -0.06 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1x71 n GLY 38 N 1.22 1.10 0.10 0.00 0.00 -0.96 0.85 105.19 107.50 1x71 n GLY 38 Ca -0.22 -0.95 0.12 0.00 0.00 0.00 0.00 46.02 44.98 1x71 n GLY 38 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x71 n ASN 39 N 0.00 0.60 -0.63 1.61 0.23 -0.71 -2.27 115.26 114.09 1x71 n ASN 39 Ca 0.00 0.61 0.06 0.00 -0.53 0.00 0.00 54.58 54.71 1x71 n ASN 39 Cb 0.00 -0.75 0.14 0.00 -2.08 0.00 0.00 39.78 37.09 1x71 n ASN 39 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1x71 n ALA 40 N -1.73 2.25 -2.67 -2.53 0.00 -1.26 -4.64 120.51 109.93 1x71 n ALA 40 Ca 0.04 -1.03 -0.38 0.00 0.00 0.00 0.00 53.44 52.06 1x71 n ALA 40 Cb 0.30 -0.44 -0.07 0.00 0.00 0.00 0.00 19.45 19.23 1x71 n ALA 40 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1x71 s ILE 41 N -0.99 5.18 -0.04 0.00 -1.09 -0.96 -5.07 121.20 118.23 1x71 s ILE 41 Ca 0.22 0.78 0.03 0.00 -2.23 0.00 0.00 60.65 59.46 1x71 s ILE 41 Cb 0.12 -3.76 0.00 0.00 -1.58 0.00 0.00 42.46 37.24 1x71 s ILE 41 CO 0.16 0.25 -0.14 -0.76 -1.23 0.00 0.00 174.94 173.22 1x71 s LEU 42 N 1.30 1.84 0.28 2.97 1.43 -1.26 -4.36 118.68 120.87 1x71 s LEU 42 Ca 0.21 -0.29 -0.30 0.00 -1.03 0.00 0.00 54.13 52.72 1x71 s LEU 42 Cb -0.15 -0.81 -0.10 0.00 0.03 0.00 0.00 46.19 45.16 1x71 s LEU 42 CO 0.08 0.11 1.46 -0.60 0.23 0.00 0.00 176.35 177.64 1x71 s ARG 43 N 0.15 4.23 -0.32 1.70 3.52 -0.87 -4.99 118.95 122.38 1x71 s ARG 43 Ca -0.05 2.37 -0.02 0.00 -0.13 0.00 0.00 55.73 57.91 1x71 s ARG 43 Cb -0.11 -3.07 0.12 0.00 -1.56 0.00 0.00 34.95 30.33 1x71 s ARG 43 CO 0.02 -0.45 0.17 -1.83 -0.81 0.00 0.00 175.30 172.40 1x71 s GLU 44 N -0.70 0.38 0.52 5.12 1.03 -1.26 -4.98 118.70 118.81 1x71 s GLU 44 Ca 0.58 -0.94 0.23 0.00 0.03 0.00 0.00 54.97 54.87 1x71 s GLU 44 Cb -0.43 -1.24 1.42 0.00 -0.80 0.00 0.00 34.13 33.08 1x71 s GLU 44 CO 0.47 -1.12 2.12 -0.44 -1.33 0.00 0.00 175.26 174.96 1x71 h ASP 45 N 7.69 0.00 0.00 0.83 3.32 -1.98 -1.34 116.42 124.93 1x71 h ASP 45 Ca -0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1x71 h ASP 45 Cb 0.99 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.54 1x71 h ASP 45 CO 0.35 0.08 0.00 1.17 -1.72 0.00 0.00 179.24 179.12 1x71 n LYS 46 N -4.01 0.00 -3.78 3.56 4.81 -1.26 -4.03 118.16 113.44 1x71 n LYS 46 Ca -0.03 0.40 -0.32 0.00 -0.87 0.00 0.00 58.31 57.50 1x71 n LYS 46 Cb 0.17 -1.30 -0.10 0.00 0.02 0.00 0.00 35.03 33.83 1x71 n LYS 46 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1x71 s ASP 47 N -2.21 5.34 0.36 3.14 1.11 -1.19 -5.08 116.67 118.14 1x71 s ASP 47 Ca 0.00 -3.73 -0.26 0.00 0.18 0.00 0.00 52.55 48.74 1x71 s ASP 47 Cb 0.00 -1.77 -0.13 0.00 1.07 0.00 0.00 42.92 42.10 1x71 s ASP 47 CO 0.00 -0.14 0.93 -0.81 1.18 0.00 0.00 175.17 176.33 1x71 n PRO 48 N 2.23 1.21 -1.76 8.23 -0.04 -0.51 -4.83 135.00 139.53 1x71 n PRO 48 Ca 0.19 0.43 -0.42 0.00 -0.04 0.00 0.00 63.50 63.67 1x71 n PRO 48 Cb 0.36 -1.85 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 1x71 n PRO 48 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1x71 s GLN 49 N -1.73 4.13 -0.01 0.54 2.00 -1.26 -4.92 119.66 118.41 1x71 s GLN 49 Ca 0.61 2.58 -0.14 0.00 -2.00 0.00 0.00 55.36 56.41 1x71 s GLN 49 Cb -0.63 -3.06 -0.06 0.00 0.80 0.00 0.00 33.01 30.06 1x71 s GLN 49 CO 0.58 -0.71 0.39 0.15 -0.50 0.00 0.00 175.29 175.21 1x71 s LYS 50 N 0.67 3.90 0.39 1.67 1.02 -1.26 -1.35 119.74 124.78 1x71 s LYS 50 Ca 0.71 0.38 -0.26 0.00 0.02 0.00 0.00 55.97 56.83 1x71 s LYS 50 Cb -0.49 -3.22 -0.11 0.00 -0.52 0.00 0.00 37.83 33.49 1x71 s LYS 50 CO 0.37 0.69 1.13 -0.12 -0.92 0.00 0.00 175.35 176.50 1x71 n MET 51 N 1.86 1.65 -4.51 1.68 0.00 -0.23 -4.71 117.12 112.86 1x71 n MET 51 Ca -0.14 0.58 -0.25 0.00 -0.00 0.00 0.00 57.70 57.89 1x71 n MET 51 Cb 0.52 -2.16 -0.08 0.00 0.00 0.00 0.00 33.22 31.50 1x71 n MET 51 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 175.97 177.49 1x71 s TYR 52 N -1.19 1.78 0.10 1.12 1.13 -1.26 -4.69 117.35 114.33 1x71 s TYR 52 Ca 0.61 -1.30 0.03 0.00 -1.41 0.00 0.00 57.07 54.99 1x71 s TYR 52 Cb -0.56 -1.14 -0.04 0.00 -1.10 0.00 0.00 41.96 39.11 1x71 s TYR 52 CO 0.58 -0.32 -0.08 0.00 -2.51 0.00 0.00 175.55 173.23 1x71 s ALA 53 N -3.21 1.01 -0.06 9.51 0.00 -0.85 -2.16 121.76 126.00 1x71 s ALA 53 Ca 0.24 -1.25 -0.00 0.00 0.00 0.00 0.00 51.96 50.95 1x71 s ALA 53 Cb 0.02 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.27 1x71 s ALA 53 CO 0.15 -0.14 -0.03 0.99 0.00 0.00 0.00 175.76 176.73 1x71 s THR 54 N -3.01 0.49 -0.20 0.00 2.01 0.04 -1.20 115.64 113.77 1x71 s THR 54 Ca 0.08 -0.03 -0.05 0.00 0.31 0.00 0.00 61.69 62.00 1x71 s THR 54 Cb 0.01 -0.57 -0.03 0.00 0.01 0.00 0.00 72.50 71.92 1x71 s THR 54 CO -0.02 0.25 0.01 -0.63 -0.69 0.00 0.00 174.62 173.53 1x71 s ILE 55 N 1.39 4.07 -0.27 1.82 1.09 0.38 -0.91 121.20 128.78 1x71 s ILE 55 Ca -0.04 -0.27 -0.08 0.00 -1.10 0.00 0.00 60.65 59.15 1x71 s ILE 55 Cb -0.13 -2.84 -0.03 0.00 -1.06 0.00 0.00 42.46 38.40 1x71 s ILE 55 CO -0.03 0.43 0.11 -0.31 -0.10 0.00 0.00 174.94 175.04 1x71 s TYR 56 N 0.94 3.13 -0.14 3.97 2.02 0.12 -1.19 117.35 126.19 1x71 s TYR 56 Ca 0.02 -0.32 0.02 0.00 -0.37 0.00 0.00 57.07 56.41 1x71 s TYR 56 Cb -0.14 -2.29 0.01 0.00 -0.40 0.00 0.00 41.96 39.14 1x71 s TYR 56 CO 0.02 -0.33 -0.19 -1.21 -1.57 0.00 0.00 175.55 172.27 1x71 s GLU 57 N 1.65 2.75 -0.03 -0.62 2.02 -0.23 -0.33 118.70 123.91 1x71 s GLU 57 Ca 0.06 -0.75 -0.30 0.00 0.02 0.00 0.00 54.97 54.00 1x71 s GLU 57 Cb -0.16 -2.30 -0.04 0.00 0.10 0.00 0.00 34.13 31.74 1x71 s GLU 57 CO 0.06 -0.08 1.26 -0.51 0.02 0.00 0.00 175.26 176.01 1x71 s LEU 58 N 1.01 4.29 0.62 1.80 1.43 -1.26 0.07 118.68 126.64 1x71 s LEU 58 Ca -0.04 1.92 -0.05 0.00 -1.03 0.00 0.00 54.13 54.94 1x71 s LEU 58 Cb -0.15 -3.56 0.03 0.00 0.03 0.00 0.00 46.19 42.55 1x71 s LEU 58 CO -0.05 -0.62 0.91 -0.54 0.23 0.00 0.00 176.35 176.28 1x71 s LYS 59 N 2.23 2.56 0.37 1.70 1.02 -0.77 -4.94 119.74 121.91 1x71 s LYS 59 Ca 0.58 -0.28 0.08 0.00 0.02 0.00 0.00 55.97 56.38 1x71 s LYS 59 Cb -0.27 -2.29 0.81 0.00 -0.52 0.00 0.00 37.83 35.57 1x71 s LYS 59 CO 0.24 -0.90 1.91 1.49 -0.92 0.00 0.00 175.35 177.16 1x71 h GLU 60 N -0.27 0.67 0.00 1.68 4.81 -1.96 -0.57 114.58 118.93 1x71 h GLU 60 Ca -0.44 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1x71 h GLU 60 Cb 1.29 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1x71 h GLU 60 CO 0.59 0.44 0.00 -0.40 -0.73 0.00 0.00 179.01 178.91 1x71 n ASP 61 N -4.52 0.00 0.00 1.04 5.68 -1.26 -4.90 116.55 112.60 1x71 n ASP 61 Ca 0.14 -1.35 0.00 0.00 -0.50 0.00 0.00 54.79 53.09 1x71 n ASP 61 Cb 0.38 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 1x71 n ASP 61 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1x71 n LYS 62 N -0.82 -0.03 -2.38 0.11 4.76 -0.22 -5.02 118.16 114.56 1x71 n LYS 62 Ca 0.15 0.01 -0.27 0.00 -2.87 0.00 0.00 58.31 55.33 1x71 n LYS 62 Cb 0.07 -2.75 0.03 0.00 -1.84 0.00 0.00 35.03 30.55 1x71 n LYS 62 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1x71 s SER 63 N -2.64 5.55 0.01 4.39 1.04 -1.26 -4.66 113.70 116.12 1x71 s SER 63 Ca 0.00 0.70 0.02 0.00 0.48 0.00 0.00 55.95 57.15 1x71 s SER 63 Cb 0.00 -1.67 -0.04 0.00 0.10 0.00 0.00 66.02 64.41 1x71 s SER 63 CO 0.00 -1.10 0.02 -0.31 0.98 0.00 0.00 173.24 172.83 1x71 s TYR 64 N -3.01 3.12 -0.36 5.02 1.51 0.24 -1.84 117.35 122.02 1x71 s TYR 64 Ca 0.54 0.09 -0.14 0.00 -1.01 0.00 0.00 57.07 56.55 1x71 s TYR 64 Cb -0.11 -1.66 -0.01 0.00 -0.11 0.00 0.00 41.96 40.07 1x71 s TYR 64 CO 0.45 0.49 0.30 1.21 -1.11 0.00 0.00 175.55 176.89 1x71 s ASN 65 N -1.74 6.11 -0.25 2.29 3.84 0.11 -0.42 114.94 124.88 1x71 s ASN 65 Ca 0.22 -0.48 -0.06 0.00 0.21 0.00 0.00 52.86 52.74 1x71 s ASN 65 Cb -0.12 -2.17 -0.02 0.00 -0.55 0.00 0.00 41.25 38.40 1x71 s ASN 65 CO 0.13 -0.33 0.04 -0.69 -2.79 0.00 0.00 177.10 173.46 1x71 s VAL 66 N 1.83 4.02 -0.14 -5.21 1.01 0.24 -1.06 120.40 121.08 1x71 s VAL 66 Ca 0.08 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.75 1x71 s VAL 66 Cb -0.17 -2.89 -0.00 0.00 0.00 0.00 0.00 36.38 33.31 1x71 s VAL 66 CO 0.11 0.33 -0.16 -0.89 0.00 0.00 0.00 175.10 174.49 1x71 s THR 67 N 1.57 2.69 0.01 3.92 2.01 -0.34 -0.48 115.64 125.01 1x71 s THR 67 Ca 0.06 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.31 1x71 s THR 67 Cb -0.15 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 1x71 s THR 67 CO 0.02 0.52 -0.02 -0.44 -0.69 0.00 0.00 174.62 174.01 1x71 s SER 68 N 0.66 4.98 -0.07 3.53 0.01 0.11 -0.47 113.70 122.45 1x71 s SER 68 Ca -0.08 -0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.13 1x71 s SER 68 Cb -0.16 -1.26 0.02 0.00 0.21 0.00 0.00 66.02 64.83 1x71 s SER 68 CO 0.02 0.27 -0.08 0.54 0.41 0.00 0.00 173.24 174.40 1x71 s VAL 69 N -1.08 0.90 0.08 3.43 0.11 -0.34 -1.91 120.40 121.59 1x71 s VAL 69 Ca 0.19 -0.30 0.06 0.00 -2.93 0.00 0.00 61.98 59.01 1x71 s VAL 69 Cb -0.11 -0.88 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 1x71 s VAL 69 CO 0.10 0.32 -0.17 -0.76 -3.33 0.00 0.00 175.10 171.26 1x71 s LEU 70 N 1.09 2.27 -0.33 2.54 1.02 -0.78 -2.01 118.68 122.48 1x71 s LEU 70 Ca -0.07 -0.62 -0.15 0.00 0.02 0.00 0.00 54.13 53.30 1x71 s LEU 70 Cb -0.14 -0.70 -0.02 0.00 0.02 0.00 0.00 46.19 45.35 1x71 s LEU 70 CO -0.01 0.00 0.37 0.12 0.02 0.00 0.00 176.35 176.85 1x71 s PHE 71 N -1.16 3.21 -0.07 0.29 5.99 -1.26 -0.45 117.98 124.53 1x71 s PHE 71 Ca 0.02 0.05 -0.05 0.00 0.00 0.00 0.00 56.93 56.95 1x71 s PHE 71 Cb -0.10 -2.66 0.03 0.00 0.00 0.00 0.00 43.02 40.29 1x71 s PHE 71 CO 0.03 -0.40 0.17 1.03 -0.00 0.00 0.00 175.22 176.05 1x71 s ARG 72 N 2.04 0.16 -1.51 10.12 1.81 0.56 -4.85 118.95 127.28 1x71 s ARG 72 Ca 0.12 0.31 -0.05 0.00 -1.72 0.00 0.00 55.73 54.40 1x71 s ARG 72 Cb -0.16 -0.02 0.02 0.00 -0.45 0.00 0.00 34.95 34.34 1x71 s ARG 72 CO 0.11 -0.09 0.48 0.36 -0.68 0.00 0.00 175.30 175.49 1x71 n LYS 73 N 3.53 -4.09 -0.88 3.54 0.00 -1.26 -1.00 118.16 118.00 1x71 n LYS 73 Ca -0.18 0.82 0.00 0.00 -0.00 0.00 0.00 58.31 58.95 1x71 n LYS 73 Cb 0.56 -5.62 0.00 0.00 -0.00 0.00 0.00 35.03 29.97 1x71 n LYS 73 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1x71 n LYS 74 N -3.79 -0.20 -4.42 -1.58 5.02 -1.26 -4.97 118.16 106.95 1x71 n LYS 74 Ca -0.11 0.05 -0.22 0.00 -2.02 0.00 0.00 58.31 56.01 1x71 n LYS 74 Cb 0.61 -3.33 -0.10 0.00 -0.02 0.00 0.00 35.03 32.20 1x71 n LYS 74 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1x71 s LYS 75 N -0.44 1.55 -0.12 1.97 1.02 -0.17 -5.11 119.74 118.43 1x71 s LYS 75 Ca 0.00 -1.72 -0.21 0.00 0.02 0.00 0.00 55.97 54.07 1x71 s LYS 75 Cb 0.00 -1.47 -0.03 0.00 -0.52 0.00 0.00 37.83 35.81 1x71 s LYS 75 CO 0.00 0.24 0.61 0.00 -0.92 0.00 0.00 175.35 175.27 1x71 s ASP 77 N 0.87 4.03 -0.12 0.00 3.68 0.40 -4.95 116.67 120.58 1x71 s ASP 77 Ca 0.31 -0.39 -0.01 0.00 2.13 0.00 0.00 52.55 54.59 1x71 s ASP 77 Cb -0.16 -1.65 -0.02 0.00 -1.45 0.00 0.00 42.92 39.63 1x71 s ASP 77 CO 0.13 0.07 -0.08 -0.31 0.13 0.00 0.00 175.17 175.11 1x71 s TYR 78 N 0.92 2.92 -0.03 -5.34 2.02 -1.26 -1.86 117.35 114.71 1x71 s TYR 78 Ca -0.02 -0.31 0.06 0.00 -0.37 0.00 0.00 57.07 56.43 1x71 s TYR 78 Cb -0.15 -1.84 -0.01 0.00 -0.40 0.00 0.00 41.96 39.56 1x71 s TYR 78 CO -0.00 0.02 -0.21 -1.58 -1.57 0.00 0.00 175.55 172.21 1x71 s TRP 79 N -0.02 1.98 -0.07 2.71 0.52 -0.80 -4.96 118.94 118.30 1x71 s TRP 79 Ca -0.01 -0.48 0.05 0.00 0.02 0.00 0.00 56.10 55.68 1x71 s TRP 79 Cb -0.14 -1.30 -0.01 0.00 -1.15 0.00 0.00 33.47 30.88 1x71 s TRP 79 CO 0.03 -0.11 -0.23 0.42 0.02 0.00 0.00 176.95 177.09 1x71 s ILE 80 N -0.28 2.26 0.11 2.03 1.01 -1.26 0.09 121.20 125.15 1x71 s ILE 80 Ca 0.02 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 59.71 1x71 s ILE 80 Cb -0.10 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 1x71 s ILE 80 CO 0.01 0.57 -0.05 0.00 0.00 0.00 0.00 174.94 175.46 1x71 s ARG 81 N -0.11 0.87 -0.16 2.79 1.70 0.36 -4.98 118.95 119.43 1x71 s ARG 81 Ca -0.05 -1.36 -0.03 0.00 -0.47 0.00 0.00 55.73 53.82 1x71 s ARG 81 Cb -0.14 -0.21 -0.02 0.00 -0.57 0.00 0.00 34.95 34.01 1x71 s ARG 81 CO 0.04 -0.04 -0.06 0.99 -1.08 0.00 0.00 175.30 175.15 1x71 s THR 82 N -3.64 3.58 -0.30 4.99 2.01 -1.26 -0.59 115.64 120.42 1x71 s THR 82 Ca 0.14 -0.46 -0.11 0.00 0.31 0.00 0.00 61.69 61.57 1x71 s THR 82 Cb 0.05 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.98 1x71 s THR 82 CO -0.03 0.49 0.18 -0.36 -0.69 0.00 0.00 174.62 174.21 1x71 s PHE 83 N 0.55 3.20 -0.24 4.92 2.99 0.43 -0.86 117.98 128.97 1x71 s PHE 83 Ca -0.05 -0.20 -0.12 0.00 0.00 0.00 0.00 56.93 56.56 1x71 s PHE 83 Cb -0.15 -2.39 -0.05 0.00 0.00 0.00 0.00 43.02 40.44 1x71 s PHE 83 CO 0.03 -0.31 0.23 0.08 -0.00 0.00 0.00 175.22 175.24 1x71 s VAL 84 N 1.70 5.31 0.14 -0.44 1.01 0.86 0.81 120.40 129.78 1x71 s VAL 84 Ca 0.06 0.31 -0.34 0.00 0.00 0.00 0.00 61.98 62.01 1x71 s VAL 84 Cb -0.17 -3.56 -0.16 0.00 0.00 0.00 0.00 36.38 32.49 1x71 s VAL 84 CO 0.09 0.30 1.23 -2.65 0.00 0.00 0.00 175.10 174.07 1x71 n PRO 85 N 4.47 1.15 0.00 2.72 -0.02 -1.26 0.06 135.00 142.11 1x71 n PRO 85 Ca -0.13 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1x71 n PRO 85 Cb 0.52 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 1x71 n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x71 n GLY 86 N 2.21 1.96 0.19 -1.23 0.00 0.45 -4.68 105.19 104.09 1x71 n GLY 86 Ca 0.16 -1.09 0.03 0.00 0.00 0.00 0.00 46.02 45.12 1x71 n GLY 86 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1x71 h SER 87 N 0.00 0.00 -5.14 1.61 4.64 -1.94 -3.45 113.55 109.27 1x71 h SER 87 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 1x71 h SER 87 Cb 0.00 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 61.95 1x71 h SER 87 CO 0.00 0.37 -0.32 0.00 -0.87 0.00 0.00 176.83 176.01 1x71 s GLN 88 N -4.15 0.88 0.10 4.77 -2.07 -1.26 -5.09 119.66 112.84 1x71 s GLN 88 Ca -0.03 -0.91 -0.33 0.00 -1.82 0.00 0.00 55.36 52.28 1x71 s GLN 88 Cb 0.14 0.36 -0.12 0.00 -1.09 0.00 0.00 33.01 32.30 1x71 s GLN 88 CO 0.72 -0.29 1.76 -2.30 -1.32 0.00 0.00 175.29 173.86 1x71 n PRO 89 N -0.07 2.47 0.00 9.60 -0.02 -1.26 -1.64 135.00 144.08 1x71 n PRO 89 Ca -0.15 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1x71 n PRO 89 Cb 0.63 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 1x71 n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x71 n GLY 90 N 4.01 0.56 3.36 -1.23 0.00 -1.26 -4.59 105.19 106.04 1x71 n GLY 90 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1x71 n GLY 90 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x71 s GLU 91 N -0.83 1.73 0.05 1.61 2.12 -0.65 0.19 118.70 122.90 1x71 s GLU 91 Ca 0.00 -1.16 -0.08 0.00 0.36 0.00 0.00 54.97 54.09 1x71 s GLU 91 Cb 0.00 -1.97 -0.00 0.00 0.26 0.00 0.00 34.13 32.42 1x71 s GLU 91 CO 0.00 0.50 0.17 -0.06 -0.54 0.00 0.00 175.26 175.33 1x71 s PHE 92 N -0.87 0.10 0.37 5.30 0.40 0.65 -0.41 117.98 123.53 1x71 s PHE 92 Ca 0.12 -0.37 0.08 0.00 -0.60 0.00 0.00 56.93 56.16 1x71 s PHE 92 Cb -0.10 -0.06 -0.07 0.00 0.51 0.00 0.00 43.02 43.30 1x71 s PHE 92 CO 0.03 -0.43 -0.04 -0.08 0.70 0.00 0.00 175.22 175.40 1x71 s THR 93 N -2.77 2.10 -0.07 0.64 -1.32 0.11 -0.18 115.64 114.15 1x71 s THR 93 Ca -0.03 -2.11 -0.18 0.00 -1.21 0.00 0.00 61.69 58.16 1x71 s THR 93 Cb -0.00 -2.81 -0.05 0.00 -1.51 0.00 0.00 72.50 68.13 1x71 s THR 93 CO -0.05 -0.11 0.50 -0.22 -2.21 0.00 0.00 174.62 172.53 1x71 s LEU 94 N -3.65 4.34 0.53 9.08 2.96 -1.24 -0.10 118.68 130.61 1x71 s LEU 94 Ca 0.34 0.93 -0.16 0.00 -0.22 0.00 0.00 54.13 55.01 1x71 s LEU 94 Cb 0.06 -2.74 -0.07 0.00 0.50 0.00 0.00 46.19 43.94 1x71 s LEU 94 CO 0.17 0.08 1.00 -0.83 -1.32 0.00 0.00 176.35 175.45 1x71 s GLY 95 N 0.14 2.05 -1.32 7.98 0.00 -0.04 -4.16 107.32 111.97 1x71 s GLY 95 Ca 0.27 0.20 -0.11 0.00 0.00 0.00 0.00 44.72 45.08 1x71 s GLY 95 CO 0.13 0.48 0.52 -2.01 0.00 0.00 0.00 173.10 172.22 1x71 n ASN 96 N -1.71 -2.14 -0.17 1.64 5.15 -1.26 -4.68 115.26 112.09 1x71 n ASN 96 Ca 0.07 -1.08 -0.05 0.00 -0.60 0.00 0.00 54.58 52.92 1x71 n ASN 96 Cb 0.54 -2.83 0.13 0.00 -0.53 0.00 0.00 39.78 37.09 1x71 n ASN 96 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 1x71 h ILE 97 N -1.96 1.25 -0.87 -1.44 2.10 -1.96 -2.60 117.51 112.02 1x71 h ILE 97 Ca -0.66 -0.94 0.23 0.00 1.08 0.00 0.00 64.86 64.57 1x71 h ILE 97 Cb 1.38 0.69 -0.15 0.00 -1.09 0.00 0.00 36.82 37.65 1x71 h ILE 97 CO 0.58 0.35 0.10 0.11 -1.08 0.00 0.00 178.15 178.20 1x71 h LYS 98 N 0.88 0.10 0.00 2.19 1.57 -1.89 0.32 116.57 119.75 1x71 h LYS 98 Ca 0.18 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1x71 h LYS 98 Cb 0.38 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1x71 h LYS 98 CO 0.01 0.07 0.00 -1.13 -0.57 0.00 0.00 179.45 177.83 1x71 n SER 99 N -5.35 0.00 -4.20 0.86 3.41 -0.98 -4.41 113.62 102.95 1x71 n SER 99 Ca 0.20 0.02 -0.35 0.00 -0.26 0.00 0.00 58.87 58.48 1x71 n SER 99 Cb 0.64 -0.07 -0.14 0.00 -0.26 0.00 0.00 64.21 64.38 1x71 n SER 99 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1x71 s TYR 100 N -2.14 3.11 0.08 7.33 1.51 0.11 -5.08 117.35 122.27 1x71 s TYR 100 Ca 0.02 -1.60 -0.32 0.00 -1.01 0.00 0.00 57.07 54.17 1x71 s TYR 100 Cb 0.01 -2.08 -0.11 0.00 -0.11 0.00 0.00 41.96 39.68 1x71 s TYR 100 CO 0.02 -0.74 1.85 -2.30 -1.11 0.00 0.00 175.55 173.27 1x71 n PRO 101 N 4.67 2.66 0.00 -1.71 -0.02 -1.26 -2.49 135.00 136.85 1x71 n PRO 101 Ca -0.16 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1x71 n PRO 101 Cb 0.46 -2.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 1x71 n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1x71 n GLY 102 N 4.24 1.87 3.62 -1.23 0.00 -1.26 -4.81 105.19 107.61 1x71 n GLY 102 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1x71 n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1x71 s LEU 103 N 0.00 4.09 -0.00 0.99 2.96 -1.04 -0.56 118.68 125.12 1x71 s LEU 103 Ca 0.00 0.70 0.07 0.00 -0.22 0.00 0.00 54.13 54.67 1x71 s LEU 103 Cb 0.00 -3.04 -0.08 0.00 0.50 0.00 0.00 46.19 43.56 1x71 s LEU 103 CO 0.00 -0.56 0.23 0.35 -1.32 0.00 0.00 176.35 175.05 1x71 n THR 104 N 5.45 0.00 -3.67 3.68 -2.24 -0.23 -4.82 114.28 112.44 1x71 n THR 104 Ca 0.03 -0.28 -0.15 0.00 -2.27 0.00 0.00 64.05 61.38 1x71 n THR 104 Cb 0.48 0.76 -0.08 0.00 -2.10 0.00 0.00 70.33 69.40 1x71 n THR 104 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1x71 s SER 105 N -2.03 -0.39 -0.30 3.42 1.04 -1.17 -4.94 113.70 109.33 1x71 s SER 105 Ca 0.01 0.42 -0.08 0.00 0.48 0.00 0.00 55.95 56.78 1x71 s SER 105 Cb 0.05 0.49 0.15 0.00 0.10 0.00 0.00 66.02 66.80 1x71 s SER 105 CO 0.27 -0.46 0.66 -0.47 0.98 0.00 0.00 173.24 174.21 1x71 s TYR 106 N -1.06 -1.38 -0.03 5.02 6.14 -1.26 -0.46 117.35 124.32 1x71 s TYR 106 Ca -0.11 2.14 0.05 0.00 0.64 0.00 0.00 57.07 59.80 1x71 s TYR 106 Cb -0.03 0.74 -0.01 0.00 0.42 0.00 0.00 41.96 43.07 1x71 s TYR 106 CO 0.06 -0.70 -0.19 -1.17 0.64 0.00 0.00 175.55 174.18 1x71 s LEU 107 N 2.87 1.99 -0.07 6.97 2.96 0.18 -3.67 118.68 129.91 1x71 s LEU 107 Ca 0.00 -0.38 0.04 0.00 -0.22 0.00 0.00 54.13 53.58 1x71 s LEU 107 Cb -0.12 -1.04 -0.00 0.00 0.50 0.00 0.00 46.19 45.52 1x71 s LEU 107 CO -0.19 0.20 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.14 1x71 s VAL 108 N -0.20 1.74 -0.15 1.68 1.01 0.75 -1.30 120.40 123.93 1x71 s VAL 108 Ca 0.01 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 1x71 s VAL 108 Cb -0.10 -1.51 0.04 0.00 0.00 0.00 0.00 36.38 34.82 1x71 s VAL 108 CO 0.01 0.49 -0.02 -0.60 0.00 0.00 0.00 175.10 174.99 1x71 s ARG 109 N 0.20 1.04 -0.31 2.72 3.52 0.30 -0.25 118.95 126.18 1x71 s ARG 109 Ca -0.11 -0.37 -0.29 0.00 -0.13 0.00 0.00 55.73 54.84 1x71 s ARG 109 Cb -0.15 -1.83 -0.01 0.00 -1.56 0.00 0.00 34.95 31.40 1x71 s ARG 109 CO 0.05 -0.47 1.55 0.08 -0.81 0.00 0.00 175.30 175.70 1x71 s VAL 110 N 1.76 3.78 -0.01 7.11 1.01 0.13 -1.15 120.40 133.03 1x71 s VAL 110 Ca 0.01 0.84 -0.20 0.00 0.00 0.00 0.00 61.98 62.63 1x71 s VAL 110 Cb -0.15 -3.90 -0.27 0.00 0.00 0.00 0.00 36.38 32.06 1x71 s VAL 110 CO -0.07 -0.47 1.04 0.58 0.00 0.00 0.00 175.10 176.17 1x71 h VAL 111 N 6.34 1.44 -1.80 2.92 2.07 -1.21 0.39 116.25 126.40 1x71 h VAL 111 Ca -0.31 -2.26 0.01 0.00 0.82 0.00 0.00 66.70 64.96 1x71 h VAL 111 Cb 1.13 2.80 -0.21 0.00 -1.52 0.00 0.00 31.29 33.49 1x71 h VAL 111 CO 1.03 0.66 0.37 -0.94 0.02 0.00 0.00 177.57 178.72 1x71 s SER 112 N -6.89 -0.51 -0.12 0.57 1.04 -1.14 -2.56 113.70 104.09 1x71 s SER 112 Ca -0.13 0.54 -0.30 0.00 0.48 0.00 0.00 55.95 56.54 1x71 s SER 112 Cb 0.03 0.42 0.12 0.00 0.10 0.00 0.00 66.02 66.69 1x71 s SER 112 CO 0.84 -0.48 0.96 0.28 0.98 0.00 0.00 173.24 175.82 1x71 s THR 113 N -1.22 0.00 -0.63 2.02 -1.32 -1.26 -0.27 115.64 112.96 1x71 s THR 113 Ca -0.06 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.50 1x71 s THR 113 Cb -0.00 -1.00 0.22 0.00 -1.51 0.00 0.00 72.50 70.21 1x71 s THR 113 CO 0.05 0.00 1.18 -0.46 -2.21 0.00 0.00 174.62 173.19 1x71 n ASN 114 N 0.51 2.68 0.00 8.08 6.94 -0.98 -5.01 115.26 127.48 1x71 n ASN 114 Ca -0.10 -2.04 0.00 0.00 -0.02 0.00 0.00 54.58 52.42 1x71 n ASN 114 Cb 0.59 -0.18 0.00 0.00 -2.36 0.00 0.00 39.78 37.83 1x71 n ASN 114 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1x71 n TYR 115 N 0.17 0.00 0.51 -2.53 4.01 -1.24 -4.48 117.16 113.61 1x71 n TYR 115 Ca 0.09 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.89 1x71 n TYR 115 Cb 0.39 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.46 1x71 n TYR 115 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1x71 n ASN 116 N 0.31 1.88 0.00 7.72 0.23 -1.26 -4.80 115.26 119.35 1x71 n ASN 116 Ca 0.00 -1.44 0.00 0.00 -0.53 0.00 0.00 54.58 52.61 1x71 n ASN 116 Cb 0.00 0.10 0.00 0.00 -2.08 0.00 0.00 39.78 37.80 1x71 n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1x71 n GLN 117 N 0.51 0.00 -4.05 -3.83 6.02 -1.26 -4.76 117.38 110.01 1x71 n GLN 117 Ca 0.07 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.96 1x71 n GLN 117 Cb 0.29 -0.21 -0.07 0.00 1.02 0.00 0.00 30.24 31.27 1x71 n GLN 117 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 1x71 s HIS 118 N -1.83 0.61 0.07 1.08 -3.43 -1.26 -0.06 115.29 110.47 1x71 s HIS 118 Ca 0.00 -0.93 -0.26 0.00 -0.80 0.00 0.00 55.06 53.07 1x71 s HIS 118 Cb 0.00 -0.10 0.07 0.00 -1.43 0.00 0.00 32.58 31.13 1x71 s HIS 118 CO 0.00 -0.82 0.66 0.00 -2.00 0.00 0.00 174.74 172.58 1x71 s ALA 119 N -4.05 -1.68 -0.12 -1.38 0.00 0.06 -2.31 121.76 112.28 1x71 s ALA 119 Ca 0.26 0.83 0.00 0.00 0.00 0.00 0.00 51.96 53.05 1x71 s ALA 119 Cb 0.03 0.52 0.02 0.00 0.00 0.00 0.00 23.12 23.69 1x71 s ALA 119 CO 0.08 -0.62 -0.10 -1.64 0.00 0.00 0.00 175.76 173.48 1x71 s MET 120 N -2.79 1.77 -0.04 0.00 -1.94 0.63 0.15 119.30 117.09 1x71 s MET 120 Ca -0.03 -0.36 0.07 0.00 -1.71 0.00 0.00 55.69 53.66 1x71 s MET 120 Cb -0.01 -1.72 -0.01 0.00 2.01 0.00 0.00 34.83 35.10 1x71 s MET 120 CO -0.05 -0.23 -0.24 0.08 -0.01 0.00 0.00 175.02 174.58 1x71 s VAL 121 N 1.53 1.90 -0.11 -6.03 1.01 -0.58 -1.04 120.40 117.08 1x71 s VAL 121 Ca 0.03 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 60.97 1x71 s VAL 121 Cb -0.13 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 1x71 s VAL 121 CO -0.08 0.53 0.02 0.12 0.00 0.00 0.00 175.10 175.70 1x71 s PHE 122 N -0.34 3.21 0.02 5.22 2.19 -0.30 -1.32 117.98 126.66 1x71 s PHE 122 Ca 0.03 0.16 0.05 0.00 0.33 0.00 0.00 56.93 57.50 1x71 s PHE 122 Cb -0.11 -1.87 -0.02 0.00 -1.31 0.00 0.00 43.02 39.71 1x71 s PHE 122 CO 0.01 0.39 -0.15 -0.06 1.83 0.00 0.00 175.22 177.25 1x71 s PHE 123 N -0.56 1.28 -0.03 10.12 0.08 0.06 -0.54 117.98 128.40 1x71 s PHE 123 Ca 0.10 -0.31 -0.01 0.00 0.12 0.00 0.00 56.93 56.83 1x71 s PHE 123 Cb -0.12 -0.79 0.03 0.00 -0.57 0.00 0.00 43.02 41.57 1x71 s PHE 123 CO 0.02 0.02 0.05 0.21 -0.10 0.00 0.00 175.22 175.42 1x71 s LYS 124 N -0.84 -0.01 0.05 0.44 2.20 -0.42 -0.91 119.74 120.24 1x71 s LYS 124 Ca 0.03 0.19 -0.05 0.00 -0.36 0.00 0.00 55.97 55.79 1x71 s LYS 124 Cb -0.07 -0.19 -0.02 0.00 -1.51 0.00 0.00 37.83 36.04 1x71 s LYS 124 CO 0.01 -0.14 0.07 -1.59 -0.36 0.00 0.00 175.35 173.34 1x71 s LYS 125 N 0.91 0.63 -0.21 4.03 -2.85 -0.01 0.48 119.74 122.72 1x71 s LYS 125 Ca -0.07 -0.91 0.02 0.00 -1.00 0.00 0.00 55.97 54.00 1x71 s LYS 125 Cb -0.11 0.24 0.03 0.00 -2.06 0.00 0.00 37.83 35.94 1x71 s LYS 125 CO -0.03 -0.16 -0.16 0.08 0.10 0.00 0.00 175.35 175.18 1x71 s VAL 126 N -3.14 2.12 -0.04 1.79 1.01 0.39 -0.89 120.40 121.64 1x71 s VAL 126 Ca -0.00 -1.20 0.03 0.00 0.00 0.00 0.00 61.98 60.80 1x71 s VAL 126 Cb 0.02 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.38 1x71 s VAL 126 CO -0.07 0.32 -0.12 -0.55 0.00 0.00 0.00 175.10 174.68 1x71 s SER 127 N 1.22 1.64 -1.62 3.32 0.15 -0.71 -1.07 113.70 116.63 1x71 s SER 127 Ca -0.00 -0.26 -0.12 0.00 0.70 0.00 0.00 55.95 56.26 1x71 s SER 127 Cb -0.16 -0.52 0.10 0.00 -1.71 0.00 0.00 66.02 63.74 1x71 s SER 127 CO -0.10 0.09 0.61 0.00 1.20 0.00 0.00 173.24 175.04 1x71 n GLN 128 N 3.36 -2.92 -0.91 5.44 6.02 0.28 -0.56 117.38 128.10 1x71 n GLN 128 Ca -0.19 0.35 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 1x71 n GLN 128 Cb 0.53 -4.80 0.00 0.00 1.02 0.00 0.00 30.24 27.00 1x71 n GLN 128 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1x71 n ASN 129 N -2.76 -4.75 -4.78 1.08 3.02 -1.26 -4.98 115.26 100.83 1x71 n ASN 129 Ca -0.07 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.12 1x71 n ASN 129 Cb 0.56 -3.20 -0.08 0.00 -0.61 0.00 0.00 39.78 36.45 1x71 n ASN 129 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1x71 s ARG 130 N -1.74 3.29 -0.37 3.52 0.52 0.28 -5.07 118.95 119.38 1x71 s ARG 130 Ca 0.00 -0.26 -0.19 0.00 -0.52 0.00 0.00 55.73 54.75 1x71 s ARG 130 Cb 0.00 -3.03 0.00 0.00 0.52 0.00 0.00 34.95 32.45 1x71 s ARG 130 CO 0.00 0.71 0.58 -2.00 0.02 0.00 0.00 175.30 174.61 1x71 s GLU 131 N -0.86 3.58 0.03 3.54 2.12 -1.26 -1.73 118.70 124.11 1x71 s GLU 131 Ca 0.13 -0.12 0.04 0.00 0.36 0.00 0.00 54.97 55.38 1x71 s GLU 131 Cb -0.12 -3.83 -0.03 0.00 0.26 0.00 0.00 34.13 30.40 1x71 s GLU 131 CO 0.03 -0.74 -0.08 0.71 -0.54 0.00 0.00 175.26 174.64 1x71 s TYR 132 N 2.57 2.84 0.01 5.30 1.51 -0.06 -4.69 117.35 124.83 1x71 s TYR 132 Ca 0.21 -0.08 -0.02 0.00 -1.01 0.00 0.00 57.07 56.17 1x71 s TYR 132 Cb -0.15 -1.56 -0.01 0.00 -0.11 0.00 0.00 41.96 40.13 1x71 s TYR 132 CO 0.15 0.37 0.02 -0.59 -1.11 0.00 0.00 175.55 174.39 1x71 s PHE 133 N -1.04 0.15 0.09 2.71 -0.71 -1.26 -0.82 117.98 117.10 1x71 s PHE 133 Ca 0.18 -0.32 -0.10 0.00 -1.04 0.00 0.00 56.93 55.66 1x71 s PHE 133 Cb -0.11 -0.12 0.00 0.00 -1.21 0.00 0.00 43.02 41.58 1x71 s PHE 133 CO 0.09 -0.18 0.22 -1.59 -1.34 0.00 0.00 175.22 172.41 1x71 s LYS 134 N -1.17 0.86 -0.07 1.99 -2.85 -0.09 -1.74 119.74 116.67 1x71 s LYS 134 Ca -0.13 -0.90 0.03 0.00 -1.00 0.00 0.00 55.97 53.96 1x71 s LYS 134 Cb -0.08 0.35 0.01 0.00 -2.06 0.00 0.00 37.83 36.06 1x71 s LYS 134 CO -0.00 -0.28 -0.14 0.42 0.10 0.00 0.00 175.35 175.45 1x71 s ILE 135 N -3.77 1.26 -0.08 3.79 1.09 0.25 -0.76 121.20 122.99 1x71 s ILE 135 Ca 0.04 -0.56 0.00 0.00 -1.10 0.00 0.00 60.65 59.04 1x71 s ILE 135 Cb 0.04 -1.14 -0.03 0.00 -1.06 0.00 0.00 42.46 40.27 1x71 s ILE 135 CO -0.11 0.38 -0.05 0.42 -0.10 0.00 0.00 174.94 175.48 1x71 s THR 136 N 0.61 3.85 -0.33 2.92 -4.23 -0.44 -0.95 115.64 117.06 1x71 s THR 136 Ca -0.15 -0.42 -0.09 0.00 -1.18 0.00 0.00 61.69 59.85 1x71 s THR 136 Cb -0.16 -2.59 0.02 0.00 1.34 0.00 0.00 72.50 71.11 1x71 s THR 136 CO 0.04 0.60 0.15 -0.22 -0.54 0.00 0.00 174.62 174.65 1x71 s LEU 137 N -0.77 4.30 0.01 4.79 2.96 0.87 -1.52 118.68 129.31 1x71 s LEU 137 Ca 0.12 -0.82 -0.09 0.00 -0.22 0.00 0.00 54.13 53.12 1x71 s LEU 137 Cb -0.11 -1.97 -0.05 0.00 0.50 0.00 0.00 46.19 44.56 1x71 s LEU 137 CO 0.02 -0.28 0.32 -0.31 -1.32 0.00 0.00 176.35 174.78 1x71 s TYR 138 N 1.54 3.62 0.01 5.38 2.02 0.40 -0.94 117.35 129.38 1x71 s TYR 138 Ca 0.02 0.73 0.06 0.00 -0.37 0.00 0.00 57.07 57.51 1x71 s TYR 138 Cb -0.18 -2.10 -0.02 0.00 -0.40 0.00 0.00 41.96 39.26 1x71 s TYR 138 CO 0.05 0.61 -0.19 0.20 -1.57 0.00 0.00 175.55 174.65 1x71 s GLY 139 N -1.47 0.99 0.35 0.71 0.00 0.44 -0.76 107.32 107.57 1x71 s GLY 139 Ca 0.26 -0.91 0.18 0.00 0.00 0.00 0.00 44.72 44.25 1x71 s GLY 139 CO 0.14 -0.80 1.69 -0.09 0.00 0.00 0.00 173.10 174.05 1x71 h ARG 140 N 5.33 0.00 -5.90 2.90 9.65 -0.77 0.39 114.38 125.98 1x71 h ARG 140 Ca -0.40 0.00 -0.59 0.00 -1.10 0.00 0.00 59.98 57.90 1x71 h ARG 140 Cb 1.15 0.00 -0.10 0.00 -1.39 0.00 0.00 29.97 29.63 1x71 h ARG 140 CO 0.46 0.42 -0.57 0.95 2.80 0.00 0.00 179.97 184.03 1x71 s THR 141 N -3.55 2.37 -0.90 0.20 -4.23 -1.26 -4.70 115.64 103.57 1x71 s THR 141 Ca 0.00 -1.88 0.19 0.00 -1.18 0.00 0.00 61.69 58.82 1x71 s THR 141 Cb 0.11 -2.91 0.17 0.00 1.34 0.00 0.00 72.50 71.21 1x71 s THR 141 CO 0.70 -0.08 1.60 0.29 -0.54 0.00 0.00 174.62 176.58 1x71 n LYS 142 N -1.06 0.05 -4.73 3.99 5.02 -1.26 -4.72 118.16 115.45 1x71 n LYS 142 Ca -0.03 0.24 -0.27 0.00 -2.02 0.00 0.00 58.31 56.22 1x71 n LYS 142 Cb 0.64 -1.58 -0.14 0.00 -0.02 0.00 0.00 35.03 33.93 1x71 n LYS 142 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1x71 s GLU 143 N -3.06 1.54 0.16 1.97 0.41 -1.26 -4.86 118.70 113.60 1x71 s GLU 143 Ca 0.08 -1.03 0.04 0.00 -0.41 0.00 0.00 54.97 53.65 1x71 s GLU 143 Cb 0.11 -1.70 -0.05 0.00 -1.78 0.00 0.00 34.13 30.71 1x71 s GLU 143 CO 0.35 0.44 -0.09 -0.51 -0.49 0.00 0.00 175.26 174.95 1x71 s LEU 144 N -1.26 2.48 0.78 1.80 1.43 -1.26 -4.94 118.68 117.71 1x71 s LEU 144 Ca 0.09 -1.04 -0.14 0.00 -1.03 0.00 0.00 54.13 52.01 1x71 s LEU 144 Cb -0.09 -0.34 0.07 0.00 0.03 0.00 0.00 46.19 45.86 1x71 s LEU 144 CO 0.02 -0.36 1.20 0.42 0.23 0.00 0.00 176.35 177.87 1x71 s THR 145 N -3.34 2.19 0.00 5.49 -4.23 -1.26 -4.82 115.64 109.67 1x71 s THR 145 Ca 0.18 0.08 0.31 0.00 -1.18 0.00 0.00 61.69 61.09 1x71 s THR 145 Cb 0.03 -2.55 0.34 0.00 1.34 0.00 0.00 72.50 71.66 1x71 s THR 145 CO 0.02 -0.06 1.94 0.77 -0.54 0.00 0.00 174.62 176.75 1x71 h SER 146 N -0.70 0.00 -0.08 3.99 4.64 -2.00 -1.41 113.55 117.99 1x71 h SER 146 Ca -0.47 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.82 1x71 h SER 146 Cb 1.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1x71 h SER 146 CO 0.48 0.00 -0.08 -0.08 -0.87 0.00 0.00 176.83 176.27 1x71 h GLU 147 N 0.00 0.20 -0.49 4.77 4.81 -1.99 -1.74 114.58 120.14 1x71 h GLU 147 Ca 0.00 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 1x71 h GLU 147 Cb 0.31 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 1x71 h GLU 147 CO 0.00 0.63 0.18 -0.07 -0.73 0.00 0.00 179.01 179.02 1x71 h LEU 148 N -0.23 0.69 -1.03 1.64 3.38 -1.80 -1.19 115.31 116.78 1x71 h LEU 148 Ca 0.01 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1x71 h LEU 148 Cb 0.60 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1x71 h LEU 148 CO 0.02 0.69 0.62 0.11 0.09 0.00 0.00 178.44 179.98 1x71 h LYS 149 N 0.66 1.27 -0.43 1.13 1.57 -1.26 -1.16 116.57 118.36 1x71 h LYS 149 Ca 0.16 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.75 1x71 h LYS 149 Cb 0.23 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1x71 h LYS 149 CO -0.01 0.85 -0.16 0.93 -0.57 0.00 0.00 179.45 180.50 1x71 h GLU 150 N 1.31 0.80 -0.67 3.15 4.39 -0.95 -0.92 114.58 121.69 1x71 h GLU 150 Ca 0.35 -0.29 -0.05 0.00 0.34 0.00 0.00 59.36 59.71 1x71 h GLU 150 Cb -0.13 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.44 1x71 h GLU 150 CO -0.07 0.91 0.23 -0.97 -1.16 0.00 0.00 179.01 177.95 1x71 h ASN 151 N 0.71 0.95 -0.57 1.42 -1.24 -0.69 -0.10 115.58 116.07 1x71 h ASN 151 Ca 0.11 -0.19 -0.04 0.00 0.71 0.00 0.00 56.30 56.88 1x71 h ASN 151 Cb 0.66 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 39.43 1x71 h ASN 151 CO 0.05 0.89 0.20 0.15 -1.29 0.00 0.00 177.43 177.43 1x71 h PHE 152 N 0.96 0.93 -0.35 0.67 3.04 -0.71 0.15 116.94 121.63 1x71 h PHE 152 Ca 0.22 -0.07 -0.12 0.00 3.98 0.00 0.00 57.97 61.98 1x71 h PHE 152 Cb 0.26 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 38.49 1x71 h PHE 152 CO 0.02 0.74 -0.25 0.82 -2.02 0.00 0.00 178.31 177.63 1x71 h ILE 153 N 0.89 1.29 -0.49 1.41 2.04 -0.50 -1.01 117.51 121.13 1x71 h ILE 153 Ca 0.20 -1.40 -0.06 0.00 1.00 0.00 0.00 64.86 64.61 1x71 h ILE 153 Cb 0.24 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1x71 h ILE 153 CO -0.01 0.46 0.08 0.03 0.00 0.00 0.00 178.15 178.71 1x71 h ARG 154 N 0.57 0.81 -0.29 2.37 3.08 -0.52 -1.49 114.38 118.91 1x71 h ARG 154 Ca 0.07 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 1x71 h ARG 154 Cb 0.81 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 1x71 h ARG 154 CO 0.07 0.81 -0.11 0.35 -1.07 0.00 0.00 179.97 180.01 1x71 h PHE 155 N 0.68 0.51 -0.38 3.04 3.57 -0.88 0.29 116.94 123.77 1x71 h PHE 155 Ca 0.15 -0.07 -0.14 0.00 3.53 0.00 0.00 57.97 61.44 1x71 h PHE 155 Cb 0.39 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1x71 h PHE 155 CO 0.03 0.58 -0.31 0.77 -2.23 0.00 0.00 178.31 177.15 1x71 h SER 156 N 0.44 0.86 -0.37 0.41 0.02 -0.89 -3.05 113.55 110.97 1x71 h SER 156 Ca 0.08 -0.35 -0.14 0.00 -0.84 0.00 0.00 61.79 60.54 1x71 h SER 156 Cb 0.46 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1x71 h SER 156 CO 0.03 1.10 -0.30 0.11 -1.14 0.00 0.00 176.83 176.62 1x71 h LYS 157 N 0.70 0.90 0.00 3.45 1.57 -0.88 -1.78 116.57 120.54 1x71 h LYS 157 Ca 0.08 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1x71 h LYS 157 Cb 0.86 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1x71 h LYS 157 CO 0.07 1.08 0.00 -1.13 -0.57 0.00 0.00 179.45 178.90 1x71 n SER 158 N -4.08 0.47 -1.26 0.86 3.41 0.06 -0.87 113.62 112.21 1x71 n SER 158 Ca -0.01 0.70 0.08 0.00 -0.26 0.00 0.00 58.87 59.38 1x71 n SER 158 Cb 0.50 -0.77 0.30 0.00 -0.26 0.00 0.00 64.21 63.98 1x71 n SER 158 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1x71 n LEU 159 N -2.11 4.29 0.00 1.04 4.77 -0.91 -4.94 117.00 119.14 1x71 n LEU 159 Ca -0.01 -2.55 0.00 0.00 -0.03 0.00 0.00 56.01 53.42 1x71 n LEU 159 Cb 0.06 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 1x71 n LEU 159 CO 0.10 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 1x71 n GLY 160 N 0.55 0.64 3.71 -0.72 0.00 -0.05 -4.52 105.19 104.80 1x71 n GLY 160 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 1x71 n GLY 160 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x71 s LEU 161 N 0.00 4.26 0.72 0.99 1.43 -0.72 -4.99 118.68 120.38 1x71 s LEU 161 Ca 0.00 0.88 -0.09 0.00 -1.03 0.00 0.00 54.13 53.89 1x71 s LEU 161 Cb 0.00 -2.80 0.05 0.00 0.03 0.00 0.00 46.19 43.47 1x71 s LEU 161 CO 0.00 -0.07 1.07 -2.16 0.23 0.00 0.00 176.35 175.42 1x71 s PRO 162 N 0.91 2.37 0.25 1.29 0.04 -1.26 -3.91 135.00 134.69 1x71 s PRO 162 Ca 0.29 0.07 -0.03 0.00 0.04 0.00 0.00 61.00 61.36 1x71 s PRO 162 Cb -0.16 -2.08 0.43 0.00 0.04 0.00 0.00 34.50 32.73 1x71 s PRO 162 CO 0.12 -1.23 1.82 1.49 0.04 0.00 0.00 177.00 179.24 1x71 h GLU 163 N -0.70 0.84 0.00 4.56 4.81 -1.96 0.36 114.58 122.49 1x71 h GLU 163 Ca -0.45 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1x71 h GLU 163 Cb 1.30 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1x71 h GLU 163 CO 0.63 0.56 0.00 0.27 -0.73 0.00 0.00 179.01 179.74 1x71 n ASN 164 N -4.69 0.00 -1.05 1.04 6.94 -1.26 -1.19 115.26 115.05 1x71 n ASN 164 Ca 0.15 -0.50 0.08 0.00 -0.02 0.00 0.00 54.58 54.29 1x71 n ASN 164 Cb 0.28 0.00 0.27 0.00 -2.36 0.00 0.00 39.78 37.97 1x71 n ASN 164 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1x71 n HIS 165 N -0.93 1.03 -4.36 -2.53 8.25 0.13 -2.05 115.22 114.76 1x71 n HIS 165 Ca 0.09 -0.72 -0.27 0.00 -0.26 0.00 0.00 57.72 56.56 1x71 n HIS 165 Cb 0.04 -0.25 -0.17 0.00 1.12 0.00 0.00 29.99 30.74 1x71 n HIS 165 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1x71 s ILE 166 N -2.18 1.29 0.11 1.59 1.01 -0.33 -2.26 121.20 120.43 1x71 s ILE 166 Ca 0.40 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.57 1x71 s ILE 166 Cb 0.29 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.52 1x71 s ILE 166 CO 0.14 0.40 -0.10 0.68 0.00 0.00 0.00 174.94 176.06 1x71 s VAL 167 N 1.07 0.99 -0.41 2.92 -7.23 0.18 -4.80 120.40 113.11 1x71 s VAL 167 Ca -0.06 -1.76 0.02 0.00 -1.81 0.00 0.00 61.98 58.37 1x71 s VAL 167 Cb -0.15 -1.51 0.11 0.00 0.56 0.00 0.00 36.38 35.40 1x71 s VAL 167 CO -0.02 -0.62 0.15 -0.36 -0.31 0.00 0.00 175.10 173.95 1x71 s PHE 168 N -2.72 3.57 0.38 2.82 0.40 -1.26 -0.96 117.98 120.21 1x71 s PHE 168 Ca 0.09 -2.93 -0.25 0.00 -0.60 0.00 0.00 56.93 53.24 1x71 s PHE 168 Cb -0.01 -2.97 -0.12 0.00 0.51 0.00 0.00 43.02 40.43 1x71 s PHE 168 CO -0.00 -0.90 0.91 -2.30 0.70 0.00 0.00 175.22 173.64 1x71 n PRO 169 N 3.98 1.18 -2.75 0.24 -0.02 -1.23 -4.90 135.00 131.50 1x71 n PRO 169 Ca 0.03 0.42 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 1x71 n PRO 169 Cb 0.39 -1.87 -0.03 0.00 -0.02 0.00 0.00 33.50 31.97 1x71 n PRO 169 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1x71 s VAL 170 N -1.25 4.79 0.25 -1.45 1.01 -0.45 -4.48 120.40 118.82 1x71 s VAL 170 Ca 0.62 1.91 -0.29 0.00 0.00 0.00 0.00 61.98 64.21 1x71 s VAL 170 Cb -0.61 -4.26 -0.15 0.00 0.00 0.00 0.00 36.38 31.37 1x71 s VAL 170 CO 0.58 -0.02 1.05 -2.65 0.00 0.00 0.00 175.10 174.06 1x71 n PRO 171 N 5.33 1.28 -4.23 2.72 -0.02 -1.26 -1.06 135.00 137.76 1x71 n PRO 171 Ca 0.08 0.45 -0.14 0.00 -2.02 0.00 0.00 63.50 61.87 1x71 n PRO 171 Cb 0.48 -1.86 -0.10 0.00 -0.02 0.00 0.00 33.50 32.01 1x71 n PRO 171 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1x71 s ILE 172 N -0.77 0.08 -0.07 4.25 -4.36 -1.26 -4.83 121.20 114.24 1x71 s ILE 172 Ca 0.63 -2.00 0.12 0.00 -0.26 0.00 0.00 60.65 59.14 1x71 s ILE 172 Cb -0.75 -2.52 -0.18 0.00 1.25 0.00 0.00 42.46 40.27 1x71 s ILE 172 CO 0.57 0.00 0.17 0.47 0.24 0.00 0.00 174.94 176.39 1x71 n ASP 173 N -0.48 1.96 -4.76 4.36 8.00 -1.26 -4.86 116.55 119.51 1x71 n ASP 173 Ca 0.02 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.11 1x71 n ASP 173 Cb 0.66 1.22 -0.01 0.00 -0.02 0.00 0.00 41.12 42.96 1x71 n ASP 173 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1x71 s GLN 174 N -2.62 4.19 0.00 -1.24 1.11 -1.26 -3.64 119.66 116.20 1x71 s GLN 174 Ca -0.05 2.46 0.00 0.00 0.01 0.00 0.00 55.36 57.78 1x71 s GLN 174 Cb 0.06 -3.03 0.00 0.00 -1.01 0.00 0.00 33.01 29.04 1x71 s GLN 174 CO 0.53 -0.47 0.00 0.00 0.01 0.00 0.00 175.29 175.36 1x71 n ILE 176 N 0.00 0.01 1.48 0.00 -5.35 -1.25 -5.00 119.36 109.25 1x71 n ILE 176 Ca 0.00 -0.18 0.14 0.00 -0.27 0.00 0.00 62.75 62.44 1x71 n ILE 176 Cb 0.00 0.20 0.50 0.00 -1.74 0.00 0.00 39.64 38.60 1x71 n ILE 176 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26