#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pls n GLU 2 N 0.00 0.00 -2.32 2.12 -0.58 -1.26 -5.12 120.64 113.48 1pls n GLU 2 Ca 0.00 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.33 1pls n GLU 2 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 1pls n GLU 2 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1pls s PRO 3 N 0.00 4.45 -1.07 3.49 0.04 -1.26 -4.96 135.00 135.69 1pls s PRO 3 Ca 0.00 1.94 -0.05 0.00 0.04 0.00 0.00 61.00 62.93 1pls s PRO 3 Cb 0.00 -3.22 0.29 0.00 0.04 0.00 0.00 34.50 31.61 1pls s PRO 3 CO 0.00 -0.14 1.32 1.63 0.04 0.00 0.00 177.00 179.84 1pls n LYS 4 N 2.50 4.05 -1.44 4.56 4.76 -1.26 -4.94 118.16 126.38 1pls n LYS 4 Ca 0.05 -4.53 0.00 0.00 -2.87 0.00 0.00 58.31 50.96 1pls n LYS 4 Cb 0.44 -2.51 0.00 0.00 -1.84 0.00 0.00 35.03 31.12 1pls n LYS 4 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1pls n ARG 5 N 1.76 -4.10 0.10 1.97 3.00 -1.26 -4.79 116.66 113.34 1pls n ARG 5 Ca 0.25 3.02 -0.05 0.00 -0.01 0.00 0.00 57.85 61.06 1pls n ARG 5 Cb 0.35 -3.38 -0.03 0.00 0.00 0.00 0.00 32.46 29.41 1pls n ARG 5 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 1pls h ILE 6 N 1.80 0.00 -3.82 0.55 2.04 -1.67 -3.44 117.51 112.97 1pls h ILE 6 Ca 0.00 0.00 -0.68 0.00 1.00 0.00 0.00 64.86 65.18 1pls h ILE 6 Cb 0.00 0.00 -0.20 0.00 -0.74 0.00 0.00 36.82 35.88 1pls h ILE 6 CO 0.00 0.00 -0.81 -0.13 0.00 0.00 0.00 178.15 177.21 1pls s ARG 7 N -3.83 1.79 -0.24 2.37 1.81 -0.98 -4.99 118.95 114.86 1pls s ARG 7 Ca -0.05 -1.16 -0.18 0.00 -1.72 0.00 0.00 55.73 52.62 1pls s ARG 7 Cb 0.01 -2.09 0.07 0.00 -0.45 0.00 0.00 34.95 32.49 1pls s ARG 7 CO 0.17 0.49 0.62 -1.83 -0.68 0.00 0.00 175.30 174.07 1pls s GLU 8 N -1.96 0.67 0.00 3.54 1.03 -1.26 -0.09 118.70 120.62 1pls s GLU 8 Ca 0.17 1.01 0.00 0.00 0.03 0.00 0.00 54.97 56.17 1pls s GLU 8 Cb -0.10 0.21 0.00 0.00 -0.80 0.00 0.00 34.13 33.43 1pls s GLU 8 CO 0.08 -0.12 0.00 0.41 -1.33 0.00 0.00 175.26 174.30 1pls n GLY 9 N 3.63 3.33 2.51 -3.83 0.00 -0.62 -4.99 105.19 105.21 1pls n GLY 9 Ca -0.18 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 1pls n GLY 9 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pls s TYR 10 N -0.90 0.85 0.35 1.61 1.13 -1.26 -1.94 117.35 117.18 1pls s TYR 10 Ca 0.00 -1.63 0.09 0.00 -1.41 0.00 0.00 57.07 54.12 1pls s TYR 10 Cb 0.00 -1.05 -0.07 0.00 -1.10 0.00 0.00 41.96 39.75 1pls s TYR 10 CO 0.00 -0.83 -0.09 -0.51 -2.51 0.00 0.00 175.55 171.62 1pls s LEU 11 N 1.12 2.74 -0.03 -3.49 2.01 -0.04 -4.70 118.68 116.30 1pls s LEU 11 Ca 0.17 -1.21 -0.24 0.00 0.01 0.00 0.00 54.13 52.85 1pls s LEU 11 Cb -0.22 -0.99 -0.04 0.00 0.01 0.00 0.00 46.19 44.95 1pls s LEU 11 CO -0.04 -0.22 0.74 0.54 1.01 0.00 0.00 176.35 178.38 1pls s VAL 12 N -2.62 4.94 0.09 -1.59 0.11 -1.03 -0.60 120.40 119.69 1pls s VAL 12 Ca 0.33 1.54 0.05 0.00 -2.93 0.00 0.00 61.98 60.97 1pls s VAL 12 Cb 0.03 -4.08 -0.03 0.00 -1.53 0.00 0.00 36.38 30.77 1pls s VAL 12 CO 0.17 0.28 -0.13 -0.75 -3.33 0.00 0.00 175.10 171.34 1pls s LYS 13 N 0.54 0.85 0.02 1.54 2.20 -0.99 -1.45 119.74 122.45 1pls s LYS 13 Ca 0.39 -1.05 -0.30 0.00 -0.36 0.00 0.00 55.97 54.65 1pls s LYS 13 Cb -0.19 -0.76 -0.06 0.00 -1.51 0.00 0.00 37.83 35.32 1pls s LYS 13 CO 0.20 0.15 1.40 0.15 -0.36 0.00 0.00 175.35 176.90 1pls s LYS 14 N -2.15 4.29 0.00 4.03 -0.14 -0.72 -3.94 119.74 121.11 1pls s LYS 14 Ca 0.01 1.99 0.00 0.00 -1.36 0.00 0.00 55.97 56.61 1pls s LYS 14 Cb -0.07 -3.52 0.00 0.00 -1.68 0.00 0.00 37.83 32.55 1pls s LYS 14 CO 0.02 -0.55 0.00 0.41 -0.76 0.00 0.00 175.35 174.47 1pls n GLY 15 N 3.62 0.60 0.00 -3.33 0.00 -1.26 -4.83 105.19 100.00 1pls n GLY 15 Ca 0.13 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.77 1pls n GLY 15 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pls n SER 16 N 0.00 0.00 0.00 1.61 7.64 -1.26 -4.94 113.62 116.67 1pls n SER 16 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1pls n SER 16 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1pls n SER 16 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1pls n VAL 17 N 0.00 0.00 -4.09 0.44 3.14 -1.26 -5.14 118.33 111.42 1pls n VAL 17 Ca 0.00 0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.32 1pls n VAL 17 Cb 0.00 -0.35 -0.02 0.00 -1.06 0.00 0.00 33.84 32.41 1pls n VAL 17 CO 0.00 0.00 0.00 2.22 -6.46 0.00 0.00 176.83 172.59 1pls n PHE 18 N -2.21 -0.24 -1.52 1.45 1.16 -1.26 -5.02 117.46 109.81 1pls n PHE 18 Ca 0.00 -0.85 -0.24 0.00 -1.87 0.00 0.00 57.45 54.48 1pls n PHE 18 Cb 0.00 0.09 -0.15 0.00 -1.61 0.00 0.00 39.48 37.81 1pls n PHE 18 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 1pls n ASN 19 N -2.60 0.11 -4.24 5.98 6.94 -1.26 -4.76 115.26 115.44 1pls n ASN 19 Ca 0.02 -0.68 -0.17 0.00 -0.02 0.00 0.00 54.58 53.74 1pls n ASN 19 Cb 0.18 -1.02 -0.11 0.00 -2.36 0.00 0.00 39.78 36.48 1pls n ASN 19 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1pls s THR 20 N 6.87 1.27 -0.14 5.53 -4.23 -1.26 -5.10 115.64 118.59 1pls s THR 20 Ca 1.19 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 1pls s THR 20 Cb -0.66 -1.56 0.02 0.00 1.34 0.00 0.00 72.50 71.65 1pls s THR 20 CO 0.39 -0.48 -0.11 0.26 -0.54 0.00 0.00 174.62 174.14 1pls s TRP 21 N -2.35 1.88 -0.13 3.99 0.52 -1.26 -4.17 118.94 117.42 1pls s TRP 21 Ca 0.10 -1.03 -0.08 0.00 0.02 0.00 0.00 56.10 55.11 1pls s TRP 21 Cb -0.04 -1.44 0.05 0.00 -1.15 0.00 0.00 33.47 30.89 1pls s TRP 21 CO 0.02 -0.61 0.33 0.15 0.02 0.00 0.00 176.95 176.87 1pls s LYS 22 N 1.58 0.31 0.63 4.98 1.02 -1.25 -5.00 119.74 122.01 1pls s LYS 22 Ca 0.05 0.62 -0.18 0.00 0.02 0.00 0.00 55.97 56.48 1pls s LYS 22 Cb -0.13 -0.03 -0.05 0.00 -0.52 0.00 0.00 37.83 37.11 1pls s LYS 22 CO -0.10 -0.14 0.80 -2.30 -0.92 0.00 0.00 175.35 172.70 1pls n PRO 23 N 4.00 0.67 -3.64 -1.68 -0.02 -1.26 -2.35 135.00 130.71 1pls n PRO 23 Ca -0.22 0.27 -0.04 0.00 -2.02 0.00 0.00 63.50 61.48 1pls n PRO 23 Cb 0.55 -2.02 -0.01 0.00 -0.02 0.00 0.00 33.50 31.99 1pls n PRO 23 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pls s MET 24 N -2.68 0.87 0.17 -0.52 0.23 0.23 -4.80 119.30 112.80 1pls s MET 24 Ca 0.73 -0.43 -0.14 0.00 -1.03 0.00 0.00 55.69 54.83 1pls s MET 24 Cb -0.40 0.33 -0.07 0.00 -1.53 0.00 0.00 34.83 33.16 1pls s MET 24 CO 0.50 -0.39 0.57 -0.46 -2.03 0.00 0.00 175.02 173.20 1pls s TRP 25 N -3.02 3.57 -0.15 3.16 -0.11 0.78 -0.86 118.94 122.31 1pls s TRP 25 Ca 0.10 1.06 -0.12 0.00 1.22 0.00 0.00 56.10 58.36 1pls s TRP 25 Cb -0.00 -2.37 0.05 0.00 -1.50 0.00 0.00 33.47 29.64 1pls s TRP 25 CO -0.03 0.39 0.40 0.54 -4.62 0.00 0.00 176.95 173.62 1pls s VAL 26 N -1.54 -0.01 -0.29 5.86 0.11 -0.82 -0.15 120.40 123.55 1pls s VAL 26 Ca 0.40 0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.50 1pls s VAL 26 Cb -0.14 -0.57 0.09 0.00 -1.53 0.00 0.00 36.38 34.22 1pls s VAL 26 CO 0.19 0.02 0.03 0.68 -3.33 0.00 0.00 175.10 172.69 1pls s VAL 27 N 0.67 1.58 -0.39 2.04 -7.23 -0.84 -1.59 120.40 114.63 1pls s VAL 27 Ca -0.04 -1.65 -0.29 0.00 -1.81 0.00 0.00 61.98 58.19 1pls s VAL 27 Cb -0.05 -2.05 0.02 0.00 0.56 0.00 0.00 36.38 34.85 1pls s VAL 27 CO -0.05 -0.44 1.25 -1.48 -0.31 0.00 0.00 175.10 174.07 1pls s LEU 28 N 1.30 3.73 0.43 1.32 2.34 0.87 -2.39 118.68 126.27 1pls s LEU 28 Ca 0.05 0.84 -0.04 0.00 0.06 0.00 0.00 54.13 55.04 1pls s LEU 28 Cb -0.18 -3.54 -0.04 0.00 -0.56 0.00 0.00 46.19 41.87 1pls s LEU 28 CO -0.13 -1.21 0.71 -0.76 -1.06 0.00 0.00 176.35 173.91 1pls s LEU 29 N 4.59 3.76 0.29 1.48 1.02 0.15 -1.87 118.68 128.10 1pls s LEU 29 Ca 0.53 0.78 0.25 0.00 0.02 0.00 0.00 54.13 55.71 1pls s LEU 29 Cb -0.12 -3.70 1.01 0.00 0.02 0.00 0.00 46.19 43.40 1pls s LEU 29 CO 0.27 -0.48 1.75 1.05 0.02 0.00 0.00 176.35 178.96 1pls h GLU 30 N 0.44 0.00 -0.19 1.70 4.11 -1.94 -2.64 114.58 116.06 1pls h GLU 30 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1pls h GLU 30 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1pls h GLU 30 CO 0.62 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 179.45 1pls n ASP 31 N -2.35 2.42 0.00 3.06 9.92 -1.26 -4.77 116.55 123.57 1pls n ASP 31 Ca 0.02 -1.80 0.00 0.00 -0.53 0.00 0.00 54.79 52.48 1pls n ASP 31 Cb 0.25 -0.13 0.00 0.00 -0.64 0.00 0.00 41.12 40.61 1pls n ASP 31 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1pls n GLY 32 N 0.37 -0.99 2.92 0.44 0.00 -0.99 -4.09 105.19 102.86 1pls n GLY 32 Ca 0.08 -1.01 -0.15 0.00 0.00 0.00 0.00 46.02 44.94 1pls n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pls s ILE 33 N -3.00 -0.27 -0.18 -0.61 1.09 0.68 0.33 121.20 119.24 1pls s ILE 33 Ca 0.00 0.29 -0.00 0.00 -1.10 0.00 0.00 60.65 59.84 1pls s ILE 33 Cb 0.00 -0.35 0.04 0.00 -1.06 0.00 0.00 42.46 41.10 1pls s ILE 33 CO 0.00 0.12 -0.07 -1.61 -0.10 0.00 0.00 174.94 173.28 1pls s GLU 34 N 2.12 1.62 0.06 2.79 2.02 -1.01 -0.54 118.70 125.77 1pls s GLU 34 Ca 0.00 -0.62 0.09 0.00 0.02 0.00 0.00 54.97 54.46 1pls s GLU 34 Cb -0.12 -2.14 -0.03 0.00 0.10 0.00 0.00 34.13 31.94 1pls s GLU 34 CO -0.07 -0.43 -0.25 -0.59 0.02 0.00 0.00 175.26 173.94 1pls s PHE 35 N 1.56 2.16 0.00 1.61 -0.12 -1.04 -1.99 117.98 120.16 1pls s PHE 35 Ca 0.00 -0.40 0.00 0.00 -0.05 0.00 0.00 56.93 56.48 1pls s PHE 35 Cb -0.16 -1.27 0.00 0.00 -0.63 0.00 0.00 43.02 40.97 1pls s PHE 35 CO -0.08 0.16 0.00 0.66 -0.05 0.00 0.00 175.22 175.91 1pls n TYR 36 N 1.61 0.00 0.13 3.49 4.02 0.79 -1.92 117.16 125.27 1pls n TYR 36 Ca -0.17 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.48 1pls n TYR 36 Cb 0.53 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.69 1pls n TYR 36 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1pls h LYS 37 N 0.00 0.50 0.00 -0.72 1.57 -1.79 0.22 116.57 116.34 1pls h LYS 37 Ca 0.00 -0.85 -0.38 0.00 -1.87 0.00 0.00 60.65 57.55 1pls h LYS 37 Cb 0.00 0.32 -0.05 0.00 0.08 0.00 0.00 32.23 32.58 1pls h LYS 37 CO 0.00 1.41 -0.22 1.63 -0.57 0.00 0.00 179.45 181.70 1pls n LYS 38 N -3.79 1.05 -0.00 3.15 4.01 -1.26 -2.43 118.16 118.89 1pls n LYS 38 Ca -0.17 -2.24 0.22 0.00 -0.51 0.00 0.00 58.31 55.62 1pls n LYS 38 Cb 1.05 0.36 0.58 0.00 -0.51 0.00 0.00 35.03 36.51 1pls n LYS 38 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1pls h LYS 39 N 0.00 0.00 0.00 1.97 3.64 -1.93 -3.35 116.57 116.90 1pls h LYS 39 Ca -0.24 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1pls h LYS 39 Cb 0.81 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1pls h LYS 39 CO 0.38 0.00 0.00 0.43 -2.27 0.00 0.00 179.45 177.99 1pls n SER 40 N -3.36 0.00 -0.15 4.20 7.64 -1.26 -4.88 113.62 115.81 1pls n SER 40 Ca 0.13 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.99 1pls n SER 40 Cb 1.01 0.22 -0.01 0.00 -1.01 0.00 0.00 64.21 64.42 1pls n SER 40 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1pls n ASP 41 N -2.42 -5.75 -1.47 6.43 2.03 -1.26 -2.70 116.55 111.42 1pls n ASP 41 Ca 0.00 0.05 -0.04 0.00 0.52 0.00 0.00 54.79 55.32 1pls n ASP 41 Cb 0.00 -3.42 -0.01 0.00 -0.72 0.00 0.00 41.12 36.97 1pls n ASP 41 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1pls n ASN 42 N -0.95 -1.32 -3.15 1.67 5.03 -1.26 -4.74 115.26 110.53 1pls n ASN 42 Ca -0.02 0.18 0.05 0.00 0.87 0.00 0.00 54.58 55.66 1pls n ASN 42 Cb 0.48 -1.47 -0.00 0.00 -1.02 0.00 0.00 39.78 37.76 1pls n ASN 42 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1pls s SER 43 N -1.52 -0.71 0.41 6.41 0.15 -1.10 -5.15 113.70 112.19 1pls s SER 43 Ca 0.00 0.18 -0.24 0.00 0.70 0.00 0.00 55.95 56.59 1pls s SER 43 Cb 0.00 1.49 -0.08 0.00 -1.71 0.00 0.00 66.02 65.72 1pls s SER 43 CO 0.00 -0.13 1.12 -2.16 1.20 0.00 0.00 173.24 173.27 1pls s PRO 44 N 2.93 4.05 0.06 5.44 0.04 -1.26 -4.52 135.00 141.73 1pls s PRO 44 Ca 0.17 1.70 0.16 0.00 0.04 0.00 0.00 61.00 63.07 1pls s PRO 44 Cb -0.06 -2.59 -0.14 0.00 0.04 0.00 0.00 34.50 31.75 1pls s PRO 44 CO -0.20 -0.28 0.82 0.87 0.04 0.00 0.00 177.00 178.24 1pls h LYS 45 N 2.50 0.00 -1.56 4.56 1.79 -1.72 -3.48 116.57 118.66 1pls h LYS 45 Ca -0.49 0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.06 1pls h LYS 45 Cb 1.23 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 31.64 1pls h LYS 45 CO 0.62 0.31 0.53 0.20 -1.08 0.00 0.00 179.45 180.03 1pls s GLY 46 N -4.82 -0.23 -0.06 3.86 0.00 -1.23 -4.95 107.32 99.89 1pls s GLY 46 Ca -0.03 2.21 0.00 0.00 0.00 0.00 0.00 44.72 46.90 1pls s GLY 46 CO 0.81 1.23 -0.04 1.06 0.00 0.00 0.00 173.10 176.17 1pls s MET 47 N -0.78 0.85 0.02 2.90 -1.94 -1.26 -2.49 119.30 116.60 1pls s MET 47 Ca -0.00 -0.06 -0.19 0.00 -1.71 0.00 0.00 55.69 53.72 1pls s MET 47 Cb -0.02 -0.97 -0.06 0.00 2.01 0.00 0.00 34.83 35.80 1pls s MET 47 CO -0.00 -0.16 0.56 0.42 -0.01 0.00 0.00 175.02 175.82 1pls s ILE 48 N 1.31 4.88 0.48 2.53 1.01 0.30 -4.86 121.20 126.84 1pls s ILE 48 Ca -0.05 1.17 -0.22 0.00 0.00 0.00 0.00 60.65 61.55 1pls s ILE 48 Cb -0.14 -3.89 -0.07 0.00 0.01 0.00 0.00 42.46 38.38 1pls s ILE 48 CO -0.02 0.48 1.13 -2.16 0.00 0.00 0.00 174.94 174.37 1pls s PRO 49 N -0.58 3.70 -0.14 2.79 0.04 -1.26 -0.23 135.00 139.32 1pls s PRO 49 Ca 0.29 1.67 0.04 0.00 0.04 0.00 0.00 61.00 63.04 1pls s PRO 49 Cb -0.18 -2.29 0.31 0.00 0.04 0.00 0.00 34.50 32.38 1pls s PRO 49 CO 0.17 -0.57 1.17 -0.11 0.04 0.00 0.00 177.00 177.70 1pls n LEU 50 N -0.70 3.63 -3.40 -3.56 -0.00 -1.26 -4.62 117.00 107.10 1pls n LEU 50 Ca 0.08 -1.87 -0.02 0.00 -0.00 0.00 0.00 56.01 54.21 1pls n LEU 50 Cb 0.49 -0.60 -0.05 0.00 -0.00 0.00 0.00 43.42 43.26 1pls n LEU 50 CO 0.45 0.54 0.12 -0.75 -0.00 0.00 0.00 177.39 177.75 1pls s LYS 51 N -1.57 0.49 0.00 1.96 2.20 -1.26 -4.60 119.74 116.96 1pls s LYS 51 Ca 0.23 1.04 0.00 0.00 -0.36 0.00 0.00 55.97 56.88 1pls s LYS 51 Cb 0.18 0.40 0.00 0.00 -1.51 0.00 0.00 37.83 36.90 1pls s LYS 51 CO 0.06 -0.46 0.00 0.41 -0.36 0.00 0.00 175.35 175.00 1pls n GLY 52 N 5.42 1.51 3.85 5.54 0.00 -1.26 -4.70 105.19 115.55 1pls n GLY 52 Ca -0.06 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 1pls n GLY 52 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pls s SER 53 N -2.17 4.77 -0.17 1.61 0.01 -1.26 0.26 113.70 116.75 1pls s SER 53 Ca 0.00 -0.96 -0.04 0.00 1.31 0.00 0.00 55.95 56.26 1pls s SER 53 Cb 0.00 -0.30 0.07 0.00 0.21 0.00 0.00 66.02 66.00 1pls s SER 53 CO 0.00 -0.74 0.14 0.42 0.41 0.00 0.00 173.24 173.47 1pls s THR 54 N -2.58 -0.18 -0.08 1.44 -4.23 -0.37 -4.87 115.64 104.77 1pls s THR 54 Ca 0.43 -0.09 -0.21 0.00 -1.18 0.00 0.00 61.69 60.64 1pls s THR 54 Cb -0.01 -0.57 -0.04 0.00 1.34 0.00 0.00 72.50 73.22 1pls s THR 54 CO 0.25 -0.21 0.60 -0.22 -0.54 0.00 0.00 174.62 174.49 1pls s LEU 55 N 2.21 4.31 -0.40 4.79 1.98 -1.26 0.43 118.68 130.74 1pls s LEU 55 Ca 0.04 1.03 -0.03 0.00 -2.89 0.00 0.00 54.13 52.29 1pls s LEU 55 Cb -0.16 -2.90 0.11 0.00 0.66 0.00 0.00 46.19 43.90 1pls s LEU 55 CO -0.10 -0.04 0.19 -0.89 -1.89 0.00 0.00 176.35 173.62 1pls s THR 56 N 0.60 3.24 -0.05 3.68 2.01 0.72 -4.95 115.64 120.89 1pls s THR 56 Ca 0.32 -2.03 0.01 0.00 0.31 0.00 0.00 61.69 60.30 1pls s THR 56 Cb -0.17 -3.21 0.02 0.00 0.01 0.00 0.00 72.50 69.15 1pls s THR 56 CO 0.15 -0.66 -0.05 -0.94 -0.69 0.00 0.00 174.62 172.42 1pls s SER 57 N 1.76 1.11 1.02 3.53 1.04 -1.26 -1.57 113.70 119.33 1pls s SER 57 Ca 0.08 -0.15 -0.17 0.00 0.48 0.00 0.00 55.95 56.18 1pls s SER 57 Cb -0.22 -0.51 0.23 0.00 0.10 0.00 0.00 66.02 65.62 1pls s SER 57 CO -0.04 -0.05 1.33 -2.16 0.98 0.00 0.00 173.24 173.30 1pls s PRO 58 N 0.92 0.16 0.43 4.02 0.04 -1.26 -5.11 135.00 134.20 1pls s PRO 58 Ca -0.11 -0.49 0.08 0.00 0.04 0.00 0.00 61.00 60.52 1pls s PRO 58 Cb -0.14 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.59 1pls s PRO 58 CO 0.00 -2.73 0.43 0.00 0.04 0.00 0.00 177.00 174.75 1pls s GLN 60 N -4.20 0.43 0.00 0.00 -1.52 -1.26 -4.45 119.66 108.65 1pls s GLN 60 Ca 0.49 0.14 0.00 0.00 -1.95 0.00 0.00 55.36 54.04 1pls s GLN 60 Cb -0.04 0.20 0.00 0.00 -0.22 0.00 0.00 33.01 32.94 1pls s GLN 60 CO 0.29 -0.08 0.00 -3.47 -0.25 0.00 0.00 175.29 171.78 1pls n ASP 61 N 2.32 0.00 -0.10 5.90 2.03 -1.26 -4.38 116.55 121.07 1pls n ASP 61 Ca -0.16 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 54.99 1pls n ASP 61 Cb 0.57 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.91 1pls n ASP 61 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1pls n PHE 62 N 0.00 0.52 -0.64 -0.67 -0.00 -1.26 -4.26 117.46 111.16 1pls n PHE 62 Ca 0.00 0.23 -0.17 0.00 -0.00 0.00 0.00 57.45 57.51 1pls n PHE 62 Cb 0.00 -0.84 0.08 0.00 -0.00 0.00 0.00 39.48 38.72 1pls n PHE 62 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1pls n GLY 63 N 1.45 3.96 0.00 7.13 0.00 -1.26 -4.41 105.19 112.06 1pls n GLY 63 Ca -0.26 -0.99 0.04 0.00 0.00 0.00 0.00 46.02 44.82 1pls n GLY 63 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1pls n LYS 64 N -0.22 0.02 0.00 1.61 -0.00 -1.26 -1.60 118.16 116.72 1pls n LYS 64 Ca 0.36 0.33 0.13 0.00 -0.00 0.00 0.00 58.31 59.13 1pls n LYS 64 Cb 0.91 -1.50 0.72 0.00 -0.00 0.00 0.00 35.03 35.16 1pls n LYS 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1pls n ARG 65 N -1.47 0.59 -0.22 -1.58 1.74 -1.26 -4.96 116.66 109.49 1pls n ARG 65 Ca 0.02 0.02 0.03 0.00 -0.77 0.00 0.00 57.85 57.16 1pls n ARG 65 Cb 0.10 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.03 1pls n ARG 65 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1pls n MET 66 N -1.15 -0.48 -1.49 5.56 2.81 -0.62 -4.84 117.12 116.90 1pls n MET 66 Ca 0.16 0.35 -0.15 0.00 -1.81 0.00 0.00 57.70 56.25 1pls n MET 66 Cb 0.15 -0.58 -0.06 0.00 -0.71 0.00 0.00 33.22 32.03 1pls n MET 66 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1pls n PHE 67 N -2.57 -0.36 -3.81 2.03 3.72 -1.26 -4.89 117.46 110.32 1pls n PHE 67 Ca -0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.26 1pls n PHE 67 Cb 0.10 -2.78 -0.15 0.00 -0.94 0.00 0.00 39.48 35.72 1pls n PHE 67 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1pls s VAL 68 N -2.28 -0.03 0.53 -4.37 0.11 -1.26 -1.53 120.40 111.57 1pls s VAL 68 Ca 0.00 0.11 0.01 0.00 -2.93 0.00 0.00 61.98 59.17 1pls s VAL 68 Cb 0.00 -0.07 0.01 0.00 -1.53 0.00 0.00 36.38 34.80 1pls s VAL 68 CO 0.00 0.05 0.11 2.22 -3.33 0.00 0.00 175.10 174.15 1pls n PHE 69 N 3.65 0.72 -3.76 1.54 1.16 -0.97 -3.27 117.46 116.52 1pls n PHE 69 Ca -0.20 -2.49 -0.27 0.00 -1.87 0.00 0.00 57.45 52.61 1pls n PHE 69 Cb 0.55 -0.37 -0.17 0.00 -1.61 0.00 0.00 39.48 37.88 1pls n PHE 69 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 1pls s LYS 70 N -3.98 0.76 0.54 3.97 2.20 -0.61 -2.31 119.74 120.32 1pls s LYS 70 Ca 0.09 -0.42 -0.03 0.00 -0.36 0.00 0.00 55.97 55.25 1pls s LYS 70 Cb -0.01 -2.03 0.01 0.00 -1.51 0.00 0.00 37.83 34.29 1pls s LYS 70 CO 0.05 -0.59 0.81 0.42 -0.36 0.00 0.00 175.35 175.68 1pls s ILE 71 N 1.82 3.67 -0.36 5.43 1.01 -0.68 -0.20 121.20 131.89 1pls s ILE 71 Ca -0.01 -0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.43 1pls s ILE 71 Cb -0.17 -3.42 0.15 0.00 0.01 0.00 0.00 42.46 39.04 1pls s ILE 71 CO -0.08 -0.37 0.31 -0.89 0.00 0.00 0.00 174.94 173.92 1pls s THR 72 N -2.82 -0.15 0.97 2.92 2.01 0.17 -0.71 115.64 118.03 1pls s THR 72 Ca 0.52 -1.27 -0.14 0.00 0.31 0.00 0.00 61.69 61.11 1pls s THR 72 Cb -0.10 -0.84 0.02 0.00 0.01 0.00 0.00 72.50 71.59 1pls s THR 72 CO 0.42 -0.74 0.20 0.35 -0.69 0.00 0.00 174.62 174.16 1pls n THR 73 N 4.16 0.00 0.24 -0.82 -2.24 -0.92 -1.24 114.28 113.47 1pls n THR 73 Ca 0.12 -0.23 0.12 0.00 -2.27 0.00 0.00 64.05 61.78 1pls n THR 73 Cb 0.42 -0.54 0.65 0.00 -2.10 0.00 0.00 70.33 68.76 1pls n THR 73 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pls h THR 74 N -1.55 0.00 -0.32 4.28 1.03 0.33 0.17 112.91 116.85 1pls h THR 74 Ca -0.45 0.00 -0.09 0.00 -0.01 0.00 0.00 66.41 65.87 1pls h THR 74 Cb 1.29 0.53 -0.05 0.00 -1.07 0.00 0.00 68.15 68.85 1pls h THR 74 CO 0.33 0.00 0.11 0.29 -0.01 0.00 0.00 175.52 176.25 1pls n LYS 75 N -2.49 2.20 -2.49 0.00 5.02 -1.26 -4.83 118.16 114.31 1pls n LYS 75 Ca -0.02 -1.31 -0.17 0.00 -2.02 0.00 0.00 58.31 54.79 1pls n LYS 75 Cb 0.27 -1.69 -0.01 0.00 -0.02 0.00 0.00 35.03 33.58 1pls n LYS 75 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1pls n GLN 76 N 0.08 -2.17 -3.17 1.97 6.02 0.58 -4.90 117.38 115.78 1pls n GLN 76 Ca 0.17 0.82 -0.45 0.00 -0.01 0.00 0.00 57.00 57.53 1pls n GLN 76 Cb 0.79 -5.47 -0.05 0.00 1.02 0.00 0.00 30.24 26.54 1pls n GLN 76 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1pls s GLN 77 N -5.12 3.04 0.61 -1.09 -0.44 -1.21 -4.88 119.66 110.56 1pls s GLN 77 Ca 0.03 -1.36 -0.17 0.00 -2.50 0.00 0.00 55.36 51.36 1pls s GLN 77 Cb -0.02 -4.25 -0.03 0.00 -1.64 0.00 0.00 33.01 27.07 1pls s GLN 77 CO 0.04 -1.45 1.12 -0.51 0.50 0.00 0.00 175.29 174.99 1pls s ASP 78 N 3.50 5.40 -0.28 6.67 1.11 -1.26 -2.16 116.67 129.65 1pls s ASP 78 Ca 0.10 2.07 0.00 0.00 0.18 0.00 0.00 52.55 54.90 1pls s ASP 78 Cb -0.25 -2.56 0.15 0.00 1.07 0.00 0.00 42.92 41.32 1pls s ASP 78 CO 0.06 -1.43 0.36 -1.00 1.18 0.00 0.00 175.17 174.34 1pls s HIS 79 N -2.09 -0.78 -0.18 4.23 3.76 0.11 -4.93 115.29 115.41 1pls s HIS 79 Ca 0.69 0.20 -0.19 0.00 -0.15 0.00 0.00 55.06 55.61 1pls s HIS 79 Cb -0.22 -0.25 -0.03 0.00 1.11 0.00 0.00 32.58 33.19 1pls s HIS 79 CO 0.35 -0.92 0.54 -0.06 -0.85 0.00 0.00 174.74 173.80 1pls s PHE 80 N 2.47 3.40 0.00 1.40 0.40 -1.26 -1.68 117.98 122.71 1pls s PHE 80 Ca 0.10 0.84 0.00 0.00 -0.60 0.00 0.00 56.93 57.27 1pls s PHE 80 Cb -0.13 -2.69 -0.00 0.00 0.51 0.00 0.00 43.02 40.71 1pls s PHE 80 CO -0.29 -0.08 -0.02 -0.59 0.70 0.00 0.00 175.22 174.95 1pls s PHE 81 N 1.54 0.14 -0.08 0.36 -0.12 -0.98 -1.75 117.98 117.09 1pls s PHE 81 Ca 0.26 -0.05 0.02 0.00 -0.05 0.00 0.00 56.93 57.10 1pls s PHE 81 Cb -0.16 -0.09 -0.02 0.00 -0.63 0.00 0.00 43.02 42.12 1pls s PHE 81 CO 0.10 -0.01 -0.12 -1.14 -0.05 0.00 0.00 175.22 174.00 1pls s GLN 82 N -0.12 2.84 0.00 1.99 0.74 -0.53 -2.29 119.66 122.30 1pls s GLN 82 Ca -0.00 -0.66 0.00 0.00 0.05 0.00 0.00 55.36 54.75 1pls s GLN 82 Cb -0.01 -2.51 0.00 0.00 1.10 0.00 0.00 33.01 31.59 1pls s GLN 82 CO -0.00 0.50 0.00 0.00 -0.55 0.00 0.00 175.29 175.24 1pls n ALA 83 N 2.68 0.00 0.00 1.58 0.00 -0.58 -2.45 120.51 121.73 1pls n ALA 83 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1pls n ALA 83 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1pls n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pls n ALA 84 N -3.00 1.47 -3.77 0.00 0.00 -1.26 -4.78 120.51 109.17 1pls n ALA 84 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1pls n ALA 84 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1pls n ALA 84 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1pls s PHE 85 N -1.00 0.06 0.17 0.00 0.08 -1.26 -4.98 117.98 111.05 1pls s PHE 85 Ca 0.00 -0.65 -0.17 0.00 0.12 0.00 0.00 56.93 56.23 1pls s PHE 85 Cb 0.00 0.75 0.10 0.00 -0.57 0.00 0.00 43.02 43.30 1pls s PHE 85 CO 0.00 -1.44 1.66 1.25 -0.10 0.00 0.00 175.22 176.60 1pls h LEU 86 N 2.01 -0.40 -0.01 -0.37 6.46 -1.93 0.21 115.31 121.28 1pls h LEU 86 Ca -0.28 0.13 0.01 0.00 -0.12 0.00 0.00 57.88 57.61 1pls h LEU 86 Cb 1.25 0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 41.43 1pls h LEU 86 CO 0.35 -0.14 -0.14 -0.08 -0.62 0.00 0.00 178.44 177.81 1pls h GLU 87 N -0.01 -0.16 0.00 1.25 4.81 -2.00 0.22 114.58 118.69 1pls h GLU 87 Ca 0.20 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1pls h GLU 87 Cb 0.31 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1pls h GLU 87 CO -0.43 -0.11 0.00 -1.91 -0.73 0.00 0.00 179.01 175.83 1pls n GLU 88 N -3.25 0.11 0.13 1.92 2.13 -1.09 -2.25 120.64 118.33 1pls n GLU 88 Ca -0.02 0.59 -0.06 0.00 0.66 0.00 0.00 57.16 58.34 1pls n GLU 88 Cb 0.10 -1.86 -0.03 0.00 0.27 0.00 0.00 31.44 29.92 1pls n GLU 88 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1pls h ARG 89 N 0.00 -0.37 0.00 5.31 1.12 0.26 -1.92 114.38 118.78 1pls h ARG 89 Ca 0.00 0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.90 1pls h ARG 89 Cb 0.03 0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.07 1pls h ARG 89 CO 0.00 -0.25 0.00 -3.47 -3.11 0.00 0.00 179.97 173.14 1pls n ASP 90 N -4.41 0.63 -0.00 -3.80 2.03 -0.49 -1.42 116.55 109.08 1pls n ASP 90 Ca -0.05 0.73 -0.17 0.00 0.52 0.00 0.00 54.79 55.82 1pls n ASP 90 Cb 0.15 -0.83 -0.14 0.00 -0.72 0.00 0.00 41.12 39.58 1pls n ASP 90 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pls h ALA 91 N 2.11 -0.04 0.00 -1.67 0.00 -1.43 -1.60 119.26 116.63 1pls h ALA 91 Ca 0.00 -0.60 -0.09 0.00 0.00 0.00 0.00 54.91 54.22 1pls h ALA 91 Cb 0.16 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1pls h ALA 91 CO 0.00 0.21 -0.45 -1.49 0.00 0.00 0.00 179.25 177.52 1pls h TRP 92 N -0.61 0.00 0.15 0.00 4.06 -0.86 -2.37 115.95 116.31 1pls h TRP 92 Ca -0.08 0.00 -0.30 0.00 2.06 0.00 0.00 58.89 60.57 1pls h TRP 92 Cb 1.34 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 29.53 1pls h TRP 92 CO 0.23 0.45 -1.28 -0.39 -3.56 0.00 0.00 178.44 173.89 1pls h VAL 93 N 0.00 1.34 0.00 1.49 -1.51 -1.31 -2.60 116.25 113.66 1pls h VAL 93 Ca -0.00 -2.65 0.00 0.00 -1.23 0.00 0.00 66.70 62.81 1pls h VAL 93 Cb 0.91 2.81 0.00 0.00 -2.13 0.00 0.00 31.29 32.88 1pls h VAL 93 CO 0.06 0.79 0.00 0.08 -1.23 0.00 0.00 177.57 177.27 1pls h ARG 94 N 0.20 0.00 0.00 5.19 0.11 -1.21 -0.32 114.38 118.35 1pls h ARG 94 Ca -0.18 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.81 1pls h ARG 94 Cb 1.96 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 33.03 1pls h ARG 94 CO 0.23 0.00 -0.60 -0.44 0.10 0.00 0.00 179.97 179.26 1pls h ASP 95 N 0.00 0.00 0.04 0.08 3.32 -1.44 -0.82 116.42 117.60 1pls h ASP 95 Ca 0.00 -0.39 -0.09 0.00 0.02 0.00 0.00 57.03 56.57 1pls h ASP 95 Cb 0.70 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 1pls h ASP 95 CO 0.00 1.04 -0.26 0.40 -1.72 0.00 0.00 179.24 178.70 1pls h ILE 96 N -1.00 1.26 0.01 0.35 2.04 -1.55 -0.58 117.51 118.04 1pls h ILE 96 Ca -0.13 -1.21 -0.15 0.00 1.00 0.00 0.00 64.86 64.37 1pls h ILE 96 Cb 0.82 1.40 0.01 0.00 -0.74 0.00 0.00 36.82 38.31 1pls h ILE 96 CO -0.08 0.38 -0.58 -1.13 0.00 0.00 0.00 178.15 176.74 1pls h ASN 97 N 0.32 0.49 0.23 1.72 -0.73 -1.20 -2.67 115.58 113.74 1pls h ASN 97 Ca 0.05 -0.78 -0.03 0.00 1.87 0.00 0.00 56.30 57.41 1pls h ASN 97 Cb 0.63 -0.15 -0.00 0.00 0.27 0.00 0.00 38.32 39.06 1pls h ASN 97 CO 0.05 1.21 -0.15 0.50 -0.37 0.00 0.00 177.43 178.66 1pls h LYS 98 N -0.17 0.00 0.07 6.67 1.63 -1.00 -1.71 116.57 122.06 1pls h LYS 98 Ca -0.07 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1pls h LYS 98 Cb 1.30 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.94 1pls h LYS 98 CO 0.11 0.15 -0.03 0.00 -3.45 0.00 0.00 179.45 176.23 1pls h ALA 99 N 1.85 -0.09 0.01 5.00 0.00 -1.07 -1.07 119.26 123.88 1pls h ALA 99 Ca -0.00 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.68 1pls h ALA 99 Cb 0.30 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1pls h ALA 99 CO 0.02 -0.29 -0.10 0.82 0.00 0.00 0.00 179.25 179.70 1pls h ILE 100 N -0.63 0.74 0.00 0.00 5.03 -1.18 0.12 117.51 121.59 1pls h ILE 100 Ca -0.01 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.73 1pls h ILE 100 Cb 0.53 0.74 0.00 0.00 -3.03 0.00 0.00 36.82 35.06 1pls h ILE 100 CO 0.02 0.00 0.00 0.50 -0.68 0.00 0.00 178.15 177.99 1pls h LYS 101 N -0.18 0.00 0.01 2.37 3.11 -1.37 -0.65 116.57 119.86 1pls h LYS 101 Ca 0.04 0.00 -0.23 0.00 -2.81 0.00 0.00 60.65 57.65 1pls h LYS 101 Cb 0.23 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.42 1pls h LYS 101 CO -0.10 0.00 -1.14 0.00 -2.81 0.00 0.00 179.45 175.40 1pls h ILE 103 N 0.00 1.25 0.00 0.00 5.03 0.33 0.23 117.51 124.36 1pls h ILE 103 Ca -0.07 -1.05 0.00 0.00 -0.12 0.00 0.00 64.86 63.62 1pls h ILE 103 Cb 1.82 0.80 0.00 0.00 -3.03 0.00 0.00 36.82 36.41 1pls h ILE 103 CO 0.12 0.38 0.00 -0.62 -0.68 0.00 0.00 178.15 177.35 1pls n GLU 104 N -4.20 0.09 -0.00 2.37 -0.58 -1.17 -1.65 120.64 115.49 1pls n GLU 104 Ca 0.03 0.41 0.00 0.00 -0.42 0.00 0.00 57.16 57.18 1pls n GLU 104 Cb 0.31 -1.71 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 1pls n GLU 104 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pls n GLY 105 N -0.41 2.05 2.71 0.62 0.00 -0.45 -4.75 105.19 104.96 1pls n GLY 105 Ca 0.02 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1pls n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pls n LEU 106 N -0.36 7.14 -1.87 0.99 4.77 0.69 -4.69 117.00 123.66 1pls n LEU 106 Ca 0.00 -5.30 -0.12 0.00 -0.03 0.00 0.00 56.01 50.56 1pls n LEU 106 Cb 0.20 -1.09 0.19 0.00 -2.33 0.00 0.00 43.42 40.39 1pls n LEU 106 CO 0.00 2.02 1.02 -0.62 -1.33 0.00 0.00 177.39 178.48 1pls n GLU 107 N -0.18 2.56 -2.65 3.23 1.02 -1.26 -4.82 120.64 118.55 1pls n GLU 107 Ca 0.47 -2.40 -0.42 0.00 -0.02 0.00 0.00 57.16 54.78 1pls n GLU 107 Cb 0.27 -1.98 -0.02 0.00 -0.02 0.00 0.00 31.44 29.70 1pls n GLU 107 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1pls s HIS 108 N -2.54 2.79 -0.18 -0.32 3.76 -1.26 -4.59 115.29 112.95 1pls s HIS 108 Ca 0.44 -1.33 0.20 0.00 -0.15 0.00 0.00 55.06 54.22 1pls s HIS 108 Cb 0.36 -4.63 0.42 0.00 1.11 0.00 0.00 32.58 29.84 1pls s HIS 108 CO 0.10 -1.78 1.19 1.58 -0.85 0.00 0.00 174.74 174.98 1pls n HIS 109 N 8.10 0.20 -3.11 1.40 -0.00 -1.26 -5.05 115.22 115.50 1pls n HIS 109 Ca 0.38 -1.45 -0.44 0.00 -0.00 0.00 0.00 57.72 56.22 1pls n HIS 109 Cb 0.48 0.18 -0.06 0.00 -0.00 0.00 0.00 29.99 30.59 1pls n HIS 109 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1pls s HIS 110 N -1.68 3.00 0.00 1.57 3.76 -1.26 -5.04 115.29 115.64 1pls s HIS 110 Ca 0.23 -0.51 0.00 0.00 -0.15 0.00 0.00 55.06 54.63 1pls s HIS 110 Cb 0.33 -3.66 0.00 0.00 1.11 0.00 0.00 32.58 30.36 1pls s HIS 110 CO -0.09 -1.11 0.00 1.58 -0.85 0.00 0.00 174.74 174.27 1pls n HIS 111 N 6.38 -0.04 -2.93 1.40 -0.00 -1.26 -5.09 115.22 113.67 1pls n HIS 111 Ca -0.06 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.16 1pls n HIS 111 Cb 0.45 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.33 1pls n HIS 111 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 1pls s HIS 112 N 0.00 -0.44 -2.00 1.57 2.46 -1.26 -5.31 115.29 110.31 1pls s HIS 112 Ca 0.00 0.14 0.28 0.00 0.47 0.00 0.00 55.06 55.95 1pls s HIS 112 Cb 0.00 0.08 1.68 0.00 -0.13 0.00 0.00 32.58 34.20 1pls s HIS 112 CO 0.00 -0.28 2.02 0.72 -2.47 0.00 0.00 174.74 174.73