#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 -1.12 0.03 2.13 -1.26 -5.14 120.64 115.28 1pls n GLU 2 Ca 0.00 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.53 1pls n GLU 2 Cb 0.00 0.00 0.20 0.00 0.27 0.00 0.00 31.44 31.91 1pls n GLU 2 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1pls s PRO 3 N -1.67 -0.31 -0.22 5.31 0.04 -1.26 -5.06 135.00 131.84 1pls s PRO 3 Ca 0.00 0.27 -0.04 0.00 0.04 0.00 0.00 61.00 61.27 1pls s PRO 3 Cb 0.00 -1.67 0.08 0.00 0.04 0.00 0.00 34.50 32.95 1pls s PRO 3 CO 0.00 -3.17 0.13 0.15 0.04 0.00 0.00 177.00 174.15 1pls s LYS 4 N -5.13 0.13 0.18 4.56 -0.14 -1.26 -5.05 119.74 113.03 1pls s LYS 4 Ca 0.68 -0.18 0.00 0.00 -1.36 0.00 0.00 55.97 55.11 1pls s LYS 4 Cb -0.15 -1.49 0.00 0.00 -1.68 0.00 0.00 37.83 34.51 1pls s LYS 4 CO 0.57 -0.79 0.00 0.54 -0.76 0.00 0.00 175.35 174.91 1pls n ARG 5 N 5.28 -4.61 0.00 1.68 3.00 -1.26 -4.82 116.66 115.93 1pls n ARG 5 Ca -0.06 3.35 0.00 0.00 -0.01 0.00 0.00 57.85 61.13 1pls n ARG 5 Cb 0.47 -3.51 0.00 0.00 0.00 0.00 0.00 32.46 29.42 1pls n ARG 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1pls n ILE 6 N 1.55 0.00 -3.21 0.55 5.41 0.38 -4.67 119.36 119.36 1pls n ILE 6 Ca 0.00 1.47 -0.18 0.00 1.00 0.00 0.00 62.75 65.03 1pls n ILE 6 Cb 0.00 -2.14 -0.00 0.00 -0.71 0.00 0.00 39.64 36.78 1pls n ILE 6 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1pls s ARG 7 N -2.86 2.81 0.00 0.38 1.81 -0.10 -4.89 118.95 116.10 1pls s ARG 7 Ca 0.00 -1.27 0.00 0.00 -1.72 0.00 0.00 55.73 52.74 1pls s ARG 7 Cb 0.00 -2.68 0.00 0.00 -0.45 0.00 0.00 34.95 31.82 1pls s ARG 7 CO 0.00 -0.19 0.00 -0.85 -0.68 0.00 0.00 175.30 173.58 1pls n GLU 8 N -1.74 0.00 0.00 3.54 0.00 -1.26 0.06 120.64 121.24 1pls n GLU 8 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.22 1pls n GLU 8 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.03 1pls n GLU 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1pls n GLY 9 N -0.07 1.84 2.96 -1.84 0.00 -0.43 -4.97 105.19 102.67 1pls n GLY 9 Ca 0.00 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 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 0.05 2.78 0.51 1.61 -0.85 -1.26 -2.19 117.35 117.99 1pls s TYR 10 Ca 0.00 -2.12 0.01 0.00 -0.52 0.00 0.00 57.07 54.44 1pls s TYR 10 Cb 0.00 -1.94 -0.01 0.00 0.38 0.00 0.00 41.96 40.39 1pls s TYR 10 CO 0.00 -0.84 0.01 -0.51 -1.52 0.00 0.00 175.55 172.69 1pls s LEU 11 N 1.26 2.27 -0.14 -3.49 1.02 -0.13 -4.82 118.68 114.65 1pls s LEU 11 Ca -0.02 -1.66 0.01 0.00 0.02 0.00 0.00 54.13 52.49 1pls s LEU 11 Cb -0.19 -0.70 0.02 0.00 0.02 0.00 0.00 46.19 45.34 1pls s LEU 11 CO -0.08 -0.86 -0.17 0.54 0.02 0.00 0.00 176.35 175.80 1pls s VAL 12 N -2.90 1.69 -0.21 -1.59 0.11 -1.02 0.12 120.40 116.61 1pls s VAL 12 Ca 0.06 -0.73 -0.08 0.00 -2.93 0.00 0.00 61.98 58.30 1pls s VAL 12 Cb 0.02 -1.55 -0.04 0.00 -1.53 0.00 0.00 36.38 33.28 1pls s VAL 12 CO 0.03 0.48 0.07 -0.75 -3.33 0.00 0.00 175.10 171.61 1pls s LYS 13 N 1.18 3.89 -0.66 1.54 2.47 -0.91 -2.26 119.74 125.00 1pls s LYS 13 Ca -0.01 -0.38 -0.27 0.00 -1.56 0.00 0.00 55.97 53.76 1pls s LYS 13 Cb -0.14 -3.28 -0.00 0.00 -1.46 0.00 0.00 37.83 32.95 1pls s LYS 13 CO -0.06 0.12 1.67 0.21 0.16 0.00 0.00 175.35 177.45 1pls s LYS 14 N 0.80 2.81 1.07 4.03 2.20 -1.05 -3.81 119.74 125.79 1pls s LYS 14 Ca 0.04 0.31 -0.18 0.00 -0.36 0.00 0.00 55.97 55.78 1pls s LYS 14 Cb -0.13 -4.34 0.24 0.00 -1.51 0.00 0.00 37.83 32.09 1pls s LYS 14 CO 0.02 -2.55 1.24 0.20 -0.36 0.00 0.00 175.35 173.90 1pls s GLY 15 N 6.67 1.71 -0.35 5.54 0.00 -1.26 -4.55 107.32 115.08 1pls s GLY 15 Ca 0.57 -1.13 -0.15 0.00 0.00 0.00 0.00 44.72 44.01 1pls s GLY 15 CO 0.18 -0.30 0.33 -0.45 0.00 0.00 0.00 173.10 172.86 1pls s SER 16 N -4.51 6.14 0.00 1.64 0.15 -1.26 -4.59 113.70 111.28 1pls s SER 16 Ca 0.73 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 57.02 1pls s SER 16 Cb -0.06 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 1pls s SER 16 CO 0.54 -0.34 0.00 0.55 1.20 0.00 0.00 173.24 175.19 1pls n VAL 17 N 5.22 0.00 -2.64 4.45 3.14 -1.26 -5.02 118.33 122.21 1pls n VAL 17 Ca -0.10 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.25 1pls n VAL 17 Cb 0.49 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.28 1pls n VAL 17 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 1pls n PHE 18 N -1.75 -0.61 -3.61 1.45 3.72 -1.26 -5.01 117.46 110.39 1pls n PHE 18 Ca 0.00 -0.79 -0.25 0.00 -0.05 0.00 0.00 57.45 56.36 1pls n PHE 18 Cb 0.00 1.16 0.03 0.00 -0.94 0.00 0.00 39.48 39.73 1pls n PHE 18 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1pls n ASN 19 N -0.50 -5.64 -4.31 4.37 3.02 -1.26 -4.99 115.26 105.94 1pls n ASN 19 Ca -0.21 -0.86 -0.17 0.00 -0.03 0.00 0.00 54.58 53.31 1pls n ASN 19 Cb 0.66 -3.34 -0.10 0.00 -0.61 0.00 0.00 39.78 36.39 1pls n ASN 19 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1pls s THR 20 N -3.30 1.36 -0.15 3.41 -4.23 -1.26 -5.14 115.64 106.33 1pls s THR 20 Ca 0.31 -2.11 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 1pls s THR 20 Cb -0.11 -2.07 0.03 0.00 1.34 0.00 0.00 72.50 71.69 1pls s THR 20 CO 0.85 -0.57 -0.12 0.26 -0.54 0.00 0.00 174.62 174.50 1pls s TRP 21 N -3.21 2.05 -0.09 3.99 0.52 -1.26 -3.99 118.94 116.95 1pls s TRP 21 Ca 0.22 -1.18 0.04 0.00 0.02 0.00 0.00 56.10 55.20 1pls s TRP 21 Cb 0.02 -1.52 0.00 0.00 -1.15 0.00 0.00 33.47 30.83 1pls s TRP 21 CO 0.05 -0.65 -0.21 0.15 0.02 0.00 0.00 176.95 176.31 1pls s LYS 22 N 1.52 2.76 1.20 4.98 1.02 -1.25 -4.98 119.74 124.99 1pls s LYS 22 Ca 0.04 -0.78 -0.18 0.00 0.02 0.00 0.00 55.97 55.07 1pls s LYS 22 Cb -0.13 -2.11 0.28 0.00 -0.52 0.00 0.00 37.83 35.35 1pls s LYS 22 CO -0.10 0.15 0.63 -2.30 -0.92 0.00 0.00 175.35 172.81 1pls n PRO 23 N 3.58 -3.15 0.00 -1.68 -0.02 -1.26 -2.13 135.00 130.33 1pls n PRO 23 Ca -0.20 -1.07 0.00 0.00 -2.02 0.00 0.00 63.50 60.22 1pls n PRO 23 Cb 0.53 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 1pls n PRO 23 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pls n MET 24 N -3.60 0.00 -3.43 -0.52 0.00 0.32 -4.58 117.12 105.30 1pls n MET 24 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.50 1pls n MET 24 Cb 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.62 1pls n MET 24 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 175.97 175.51 1pls s TRP 25 N -2.00 3.46 -0.01 3.17 -0.11 0.27 -0.96 118.94 122.76 1pls s TRP 25 Ca 0.00 0.70 -0.15 0.00 1.22 0.00 0.00 56.10 57.87 1pls s TRP 25 Cb 0.00 -2.13 0.02 0.00 -1.50 0.00 0.00 33.47 29.86 1pls s TRP 25 CO 0.00 0.26 0.31 0.54 -4.62 0.00 0.00 176.95 173.44 1pls s VAL 26 N -1.91 0.06 -0.17 5.86 0.11 -0.93 -0.32 120.40 123.09 1pls s VAL 26 Ca 0.44 -0.47 -0.04 0.00 -2.93 0.00 0.00 61.98 58.99 1pls s VAL 26 Cb -0.11 -0.62 0.08 0.00 -1.53 0.00 0.00 36.38 34.20 1pls s VAL 26 CO 0.26 -0.26 0.20 0.68 -3.33 0.00 0.00 175.10 172.65 1pls s VAL 27 N -1.32 -0.30 -0.18 2.04 -7.23 -0.96 -1.31 120.40 111.14 1pls s VAL 27 Ca -0.14 -0.01 -0.29 0.00 -1.81 0.00 0.00 61.98 59.74 1pls s VAL 27 Cb -0.05 -0.58 -0.00 0.00 0.56 0.00 0.00 36.38 36.30 1pls s VAL 27 CO 0.04 -0.13 1.08 -0.76 -0.31 0.00 0.00 175.10 175.03 1pls s LEU 28 N 2.31 4.16 0.20 1.32 1.43 0.11 -2.58 118.68 125.63 1pls s LEU 28 Ca 0.05 1.49 0.08 0.00 -1.03 0.00 0.00 54.13 54.73 1pls s LEU 28 Cb -0.15 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 1pls s LEU 28 CO -0.10 -0.63 0.02 -0.76 0.23 0.00 0.00 176.35 175.11 1pls s LEU 29 N 2.89 3.34 0.48 1.79 1.02 0.61 0.14 118.68 128.95 1pls s LEU 29 Ca 0.48 -0.43 0.27 0.00 0.02 0.00 0.00 54.13 54.46 1pls s LEU 29 Cb -0.17 -1.95 0.98 0.00 0.02 0.00 0.00 46.19 45.06 1pls s LEU 29 CO 0.11 0.06 1.84 -0.08 0.02 0.00 0.00 176.35 178.30 1pls h GLU 30 N 2.41 0.00 -0.69 1.70 4.81 -1.95 -2.59 114.58 118.28 1pls h GLU 30 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1pls h GLU 30 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1pls h GLU 30 CO 0.59 0.12 0.00 -0.25 -0.73 0.00 0.00 179.01 178.74 1pls n ASP 31 N -3.23 3.89 0.00 1.04 9.92 -1.26 -4.82 116.55 122.09 1pls n ASP 31 Ca 0.01 -2.08 0.00 0.00 -0.53 0.00 0.00 54.79 52.19 1pls n ASP 31 Cb 0.41 -0.49 0.00 0.00 -0.64 0.00 0.00 41.12 40.40 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 1.51 -0.10 3.02 0.44 0.00 -0.98 -4.71 105.19 104.38 1pls n GLY 32 Ca 0.24 -1.71 -0.20 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.77 0.77 -0.09 -0.61 1.09 -0.62 -0.28 121.20 119.67 1pls s ILE 33 Ca 0.00 -0.38 -0.04 0.00 -1.10 0.00 0.00 60.65 59.13 1pls s ILE 33 Cb 0.00 -0.66 0.05 0.00 -1.06 0.00 0.00 42.46 40.79 1pls s ILE 33 CO 0.00 0.23 0.19 -1.83 -0.10 0.00 0.00 174.94 173.43 1pls s GLU 34 N -0.01 0.09 -0.02 2.79 -1.05 -1.06 -0.60 118.70 118.83 1pls s GLU 34 Ca 0.00 0.56 0.07 0.00 -0.15 0.00 0.00 54.97 55.45 1pls s GLU 34 Cb -0.06 -0.18 -0.02 0.00 -0.44 0.00 0.00 34.13 33.43 1pls s GLU 34 CO 0.00 -0.25 -0.24 -0.59 0.95 0.00 0.00 175.26 175.13 1pls s PHE 35 N 1.95 2.14 0.00 4.83 -0.12 -0.98 -2.26 117.98 123.54 1pls s PHE 35 Ca -0.02 -0.40 0.00 0.00 -0.05 0.00 0.00 56.93 56.46 1pls s PHE 35 Cb -0.12 -1.37 0.00 0.00 -0.63 0.00 0.00 43.02 40.90 1pls s PHE 35 CO -0.07 -0.03 0.00 0.66 -0.05 0.00 0.00 175.22 175.73 1pls n TYR 36 N 2.47 0.00 -0.07 3.49 4.02 0.57 -1.81 117.16 125.82 1pls n TYR 36 Ca -0.16 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.67 1pls n TYR 36 Cb 0.52 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.82 1pls n TYR 36 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1pls n LYS 37 N 0.00 0.44 -2.28 -0.72 3.00 -1.26 -0.27 118.16 117.07 1pls n LYS 37 Ca 0.00 0.38 -0.15 0.00 -0.00 0.00 0.00 58.31 58.54 1pls n LYS 37 Cb 0.00 -1.51 0.07 0.00 0.00 0.00 0.00 35.03 33.58 1pls n LYS 37 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1pls n LYS 38 N -4.37 0.43 -0.40 1.64 5.02 -1.26 0.96 118.16 120.18 1pls n LYS 38 Ca -0.09 -2.17 0.39 0.00 -2.02 0.00 0.00 58.31 54.42 1pls n LYS 38 Cb 0.34 -0.32 0.70 0.00 -0.02 0.00 0.00 35.03 35.73 1pls n LYS 38 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1pls h LYS 39 N 0.00 0.00 0.00 1.97 3.64 -1.94 -3.10 116.57 117.13 1pls h LYS 39 Ca -0.22 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 58.97 1pls h LYS 39 Cb 0.91 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.59 1pls h LYS 39 CO 0.27 0.00 -0.40 0.43 -2.27 0.00 0.00 179.45 177.48 1pls n SER 40 N -3.81 -2.58 0.23 4.20 7.64 -1.26 -4.91 113.62 113.13 1pls n SER 40 Ca 0.30 -3.07 0.14 0.00 1.01 0.00 0.00 58.87 57.25 1pls n SER 40 Cb 1.54 1.65 0.55 0.00 -1.01 0.00 0.00 64.21 66.95 1pls n SER 40 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1pls h ASP 41 N 3.75 0.00 0.00 6.43 3.58 -1.88 -3.43 116.42 124.88 1pls h ASP 41 Ca -0.16 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.29 1pls h ASP 41 Cb 1.07 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.12 1pls h ASP 41 CO 0.22 0.00 0.00 -3.20 -2.88 0.00 0.00 179.24 173.38 1pls n ASN 42 N -2.98 0.00 -4.08 2.28 2.85 -1.26 -4.97 115.26 107.11 1pls n ASN 42 Ca 0.03 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.18 1pls n ASN 42 Cb 0.72 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.59 1pls n ASN 42 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1pls s SER 43 N -0.81 4.63 0.48 1.20 0.15 -1.26 -5.10 113.70 113.00 1pls s SER 43 Ca 0.00 -1.60 -0.22 0.00 0.70 0.00 0.00 55.95 54.83 1pls s SER 43 Cb 0.00 -1.61 -0.07 0.00 -1.71 0.00 0.00 66.02 62.63 1pls s SER 43 CO 0.00 -0.26 1.18 -2.16 1.20 0.00 0.00 173.24 173.19 1pls s PRO 44 N 1.07 3.63 -0.17 5.44 0.04 -1.26 -4.57 135.00 139.18 1pls s PRO 44 Ca -0.03 1.79 0.12 0.00 0.04 0.00 0.00 61.00 62.93 1pls s PRO 44 Cb -0.20 -2.33 -0.19 0.00 0.04 0.00 0.00 34.50 31.82 1pls s PRO 44 CO -0.05 -0.66 0.02 1.63 0.04 0.00 0.00 177.00 177.97 1pls n LYS 45 N -0.67 1.21 -3.68 4.56 4.76 -0.75 -4.98 118.16 118.60 1pls n LYS 45 Ca 0.08 0.01 -0.14 0.00 -2.87 0.00 0.00 58.31 55.39 1pls n LYS 45 Cb 0.48 -1.42 -0.08 0.00 -1.84 0.00 0.00 35.03 32.17 1pls n LYS 45 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1pls s GLY 46 N -5.17 -0.37 -0.02 0.72 0.00 -1.24 -5.06 107.32 96.18 1pls s GLY 46 Ca -0.11 1.23 0.02 0.00 0.00 0.00 0.00 44.72 45.86 1pls s GLY 46 CO 0.64 1.01 -0.08 1.06 0.00 0.00 0.00 173.10 175.73 1pls s MET 47 N -0.23 0.84 -0.46 2.90 -1.94 -1.26 -2.31 119.30 116.84 1pls s MET 47 Ca -0.04 -0.25 -0.18 0.00 -1.71 0.00 0.00 55.69 53.50 1pls s MET 47 Cb -0.03 -0.80 0.04 0.00 2.01 0.00 0.00 34.83 36.05 1pls s MET 47 CO 0.03 0.09 0.54 0.42 -0.01 0.00 0.00 175.02 176.08 1pls s ILE 48 N 0.24 4.97 -0.12 2.53 -1.09 0.23 -4.88 121.20 123.07 1pls s ILE 48 Ca -0.03 -0.38 -0.29 0.00 -2.23 0.00 0.00 60.65 57.72 1pls s ILE 48 Cb -0.08 -4.17 -0.04 0.00 -1.58 0.00 0.00 42.46 36.59 1pls s ILE 48 CO 0.00 -0.61 1.53 -2.16 -1.23 0.00 0.00 174.94 172.47 1pls s PRO 49 N 2.41 4.11 0.00 2.79 0.04 -1.26 -1.60 135.00 141.49 1pls s PRO 49 Ca 0.14 1.92 0.05 0.00 0.04 0.00 0.00 61.00 63.15 1pls s PRO 49 Cb -0.18 -3.93 0.21 0.00 0.04 0.00 0.00 34.50 30.64 1pls s PRO 49 CO 0.13 -0.90 1.14 1.28 0.04 0.00 0.00 177.00 178.69 1pls n LEU 50 N 7.25 0.00 0.00 -3.56 4.32 -1.26 -3.63 117.00 120.12 1pls n LEU 50 Ca 0.17 0.48 0.00 0.00 -0.02 0.00 0.00 56.01 56.63 1pls n LEU 50 Cb 0.44 -0.48 0.00 0.00 -1.62 0.00 0.00 43.42 41.76 1pls n LEU 50 CO 0.61 -0.40 0.47 1.17 -1.22 0.00 0.00 177.39 178.02 1pls n LYS 51 N -1.48 0.00 -2.93 3.23 3.00 -1.26 -4.44 118.16 114.28 1pls n LYS 51 Ca 0.01 0.82 -0.14 0.00 -0.00 0.00 0.00 58.31 59.00 1pls n LYS 51 Cb 0.05 -1.44 -0.00 0.00 0.00 0.00 0.00 35.03 33.64 1pls n LYS 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1pls n GLY 52 N -0.99 0.97 3.98 3.14 0.00 -1.24 -4.80 105.19 106.26 1pls n GLY 52 Ca 0.00 -0.45 -0.19 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.13 5.87 0.19 1.61 0.01 -1.25 0.27 113.70 119.27 1pls s SER 53 Ca 0.33 -0.25 0.09 0.00 1.31 0.00 0.00 55.95 57.42 1pls s SER 53 Cb 0.17 -1.12 -0.04 0.00 0.21 0.00 0.00 66.02 65.24 1pls s SER 53 CO -0.18 -0.48 -0.17 0.28 0.41 0.00 0.00 173.24 173.10 1pls s THR 54 N -2.21 1.88 -0.30 1.44 -1.32 -0.71 -4.87 115.64 109.54 1pls s THR 54 Ca 0.46 -2.07 0.01 0.00 -1.21 0.00 0.00 61.69 58.88 1pls s THR 54 Cb -0.09 -1.97 0.09 0.00 -1.51 0.00 0.00 72.50 69.02 1pls s THR 54 CO 0.31 -0.41 0.06 -0.22 -2.21 0.00 0.00 174.62 172.14 1pls s LEU 55 N -2.98 3.00 -0.04 9.08 1.98 -1.26 -1.54 118.68 126.93 1pls s LEU 55 Ca 0.20 -1.68 -0.20 0.00 -2.89 0.00 0.00 54.13 49.55 1pls s LEU 55 Cb -0.04 -1.13 -0.05 0.00 0.66 0.00 0.00 46.19 45.63 1pls s LEU 55 CO 0.08 -0.37 0.57 -0.89 -1.89 0.00 0.00 176.35 173.84 1pls s THR 56 N 1.38 5.00 -0.12 3.68 2.01 -0.39 -4.94 115.64 122.27 1pls s THR 56 Ca 0.07 1.17 -0.05 0.00 0.31 0.00 0.00 61.69 63.19 1pls s THR 56 Cb -0.18 -3.90 0.06 0.00 0.01 0.00 0.00 72.50 68.49 1pls s THR 56 CO -0.16 0.39 0.25 -0.44 -0.69 0.00 0.00 174.62 173.96 1pls s SER 57 N 0.07 0.19 0.19 3.53 0.01 -1.26 -1.92 113.70 114.52 1pls s SER 57 Ca 0.30 0.56 0.00 0.00 1.31 0.00 0.00 55.95 58.12 1pls s SER 57 Cb -0.17 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.65 1pls s SER 57 CO 0.15 -0.22 0.00 -0.81 0.41 0.00 0.00 173.24 172.77 1pls n PRO 58 N 5.02 0.67 0.00 12.44 -0.04 -1.26 -5.11 135.00 146.71 1pls n PRO 58 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1pls n PRO 58 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 1pls n PRO 58 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pls n GLN 60 N 0.00 3.41 0.00 0.00 7.27 -1.26 -4.33 117.38 122.47 1pls n GLN 60 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.13 1pls n GLN 60 Cb 0.00 0.00 0.35 0.00 2.41 0.00 0.00 30.24 33.00 1pls n GLN 60 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1pls n ASP 61 N 0.00 0.00 0.10 1.69 8.00 -1.26 -1.51 116.55 123.58 1pls n ASP 61 Ca 0.00 -0.13 0.09 0.00 0.71 0.00 0.00 54.79 55.46 1pls n ASP 61 Cb 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 1pls n ASP 61 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1pls h PHE 62 N 0.00 0.00 0.00 1.24 0.04 -1.94 -3.27 116.94 113.01 1pls h PHE 62 Ca 0.00 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 1pls h PHE 62 Cb 0.06 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 1pls h PHE 62 CO 0.00 0.11 -0.23 0.78 -0.60 0.00 0.00 178.31 178.37 1pls h GLY 63 N 3.94 0.00 1.28 -1.45 0.00 -1.45 -2.68 103.07 102.70 1pls h GLY 63 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1pls h GLY 63 CO 0.01 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.72 1pls n LYS 64 N -3.22 0.56 0.00 4.80 4.81 -1.23 -4.44 118.16 119.44 1pls n LYS 64 Ca 0.02 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 1pls n LYS 64 Cb 0.55 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.10 1pls n LYS 64 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1pls n ARG 65 N -1.14 0.00 0.00 1.64 1.74 -1.01 -5.10 116.66 112.78 1pls n ARG 65 Ca 0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 1pls n ARG 65 Cb 0.14 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.58 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 0.00 3.60 -3.38 5.56 2.81 -1.24 -5.00 117.12 119.46 1pls n MET 66 Ca 0.00 0.00 -0.45 0.00 -1.81 0.00 0.00 57.70 55.44 1pls n MET 66 Cb 0.00 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.47 1pls n MET 66 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1pls s PHE 67 N 2.54 3.60 -0.03 2.03 0.08 -1.26 -4.72 117.98 120.22 1pls s PHE 67 Ca 0.00 -1.93 0.01 0.00 0.12 0.00 0.00 56.93 55.13 1pls s PHE 67 Cb 0.00 -3.73 0.02 0.00 -0.57 0.00 0.00 43.02 38.74 1pls s PHE 67 CO 0.00 -0.98 -0.04 0.54 -0.10 0.00 0.00 175.22 174.64 1pls s VAL 68 N 0.49 0.41 0.42 -0.44 0.11 -1.26 -2.19 120.40 117.95 1pls s VAL 68 Ca 0.14 -0.10 0.07 0.00 -2.93 0.00 0.00 61.98 59.16 1pls s VAL 68 Cb -0.16 -0.42 -0.03 0.00 -1.53 0.00 0.00 36.38 34.23 1pls s VAL 68 CO -0.05 0.17 0.29 0.72 -3.33 0.00 0.00 175.10 172.89 1pls s PHE 69 N 0.61 2.61 -0.27 1.54 -0.12 -0.10 -2.67 117.98 119.57 1pls s PHE 69 Ca -0.07 -0.56 0.01 0.00 -0.05 0.00 0.00 56.93 56.27 1pls s PHE 69 Cb -0.11 -2.06 0.08 0.00 -0.63 0.00 0.00 43.02 40.30 1pls s PHE 69 CO -0.00 0.00 -0.01 0.21 -0.05 0.00 0.00 175.22 175.37 1pls s LYS 70 N -4.03 1.49 0.47 1.99 2.36 -0.81 -2.37 119.74 118.84 1pls s LYS 70 Ca 0.44 -1.23 -0.04 0.00 -2.55 0.00 0.00 55.97 52.58 1pls s LYS 70 Cb 0.00 -2.66 -0.03 0.00 -1.05 0.00 0.00 37.83 34.10 1pls s LYS 70 CO 0.25 -0.74 0.76 0.42 1.55 0.00 0.00 175.35 177.59 1pls s ILE 71 N 1.29 4.76 -0.40 5.43 1.01 -0.94 -1.26 121.20 131.10 1pls s ILE 71 Ca 0.00 0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.71 1pls s ILE 71 Cb -0.19 -3.80 0.13 0.00 0.01 0.00 0.00 42.46 38.62 1pls s ILE 71 CO -0.10 -0.74 0.22 -0.89 0.00 0.00 0.00 174.94 173.43 1pls s THR 72 N -2.70 0.91 0.93 2.92 2.01 -0.59 0.36 115.64 119.48 1pls s THR 72 Ca 0.47 -2.16 -0.15 0.00 0.31 0.00 0.00 61.69 60.15 1pls s THR 72 Cb -0.10 -1.65 -0.08 0.00 0.01 0.00 0.00 72.50 70.68 1pls s THR 72 CO 0.43 -0.91 -0.23 0.35 -0.69 0.00 0.00 174.62 173.58 1pls n THR 73 N 3.82 0.16 0.14 -0.82 -2.24 -0.10 -1.74 114.28 113.50 1pls n THR 73 Ca 0.09 -0.38 0.09 0.00 -2.27 0.00 0.00 64.05 61.58 1pls n THR 73 Cb 0.36 -0.28 0.50 0.00 -2.10 0.00 0.00 70.33 68.80 1pls n THR 73 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1pls n THR 74 N -2.81 1.18 0.61 4.28 5.66 0.14 -0.85 114.28 122.50 1pls n THR 74 Ca 0.03 0.70 0.03 0.00 -3.05 0.00 0.00 64.05 61.76 1pls n THR 74 Cb 0.54 -1.70 0.13 0.00 -1.55 0.00 0.00 70.33 67.75 1pls n THR 74 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1pls n LYS 75 N -2.14 2.12 -3.27 1.09 5.02 -1.26 -4.85 118.16 114.87 1pls n LYS 75 Ca -0.01 -1.04 -0.17 0.00 -2.02 0.00 0.00 58.31 55.07 1pls n LYS 75 Cb 0.03 -1.59 0.06 0.00 -0.02 0.00 0.00 35.03 33.52 1pls n LYS 75 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1pls n GLN 76 N 0.23 -5.82 -4.07 1.97 0.00 -0.03 -5.00 117.38 104.67 1pls n GLN 76 Ca 0.09 0.65 -0.33 0.00 -0.00 0.00 0.00 57.00 57.41 1pls n GLN 76 Cb 0.46 -5.11 -0.15 0.00 0.00 0.00 0.00 30.24 25.44 1pls n GLN 76 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 1pls s GLN 77 N -5.69 2.93 0.84 3.69 0.74 -1.22 -4.92 119.66 116.03 1pls s GLN 77 Ca 0.30 -0.89 -0.11 0.00 0.05 0.00 0.00 55.36 54.71 1pls s GLN 77 Cb -0.13 -2.71 0.09 0.00 1.10 0.00 0.00 33.01 31.36 1pls s GLN 77 CO 0.56 -0.27 1.09 -0.51 -0.55 0.00 0.00 175.29 175.61 1pls s ASP 78 N 1.29 3.98 -0.07 6.67 1.11 -1.26 -0.92 116.67 127.48 1pls s ASP 78 Ca 0.03 1.57 -0.03 0.00 0.18 0.00 0.00 52.55 54.30 1pls s ASP 78 Cb -0.14 -2.27 0.04 0.00 1.07 0.00 0.00 42.92 41.62 1pls s ASP 78 CO -0.10 -2.33 0.16 -1.00 1.18 0.00 0.00 175.17 173.09 1pls s HIS 79 N -2.96 -0.19 -0.38 4.23 3.76 0.16 -4.84 115.29 115.07 1pls s HIS 79 Ca 0.62 0.55 -0.20 0.00 -0.15 0.00 0.00 55.06 55.88 1pls s HIS 79 Cb -0.17 -0.09 0.01 0.00 1.11 0.00 0.00 32.58 33.44 1pls s HIS 79 CO 0.56 -0.19 0.62 -0.06 -0.85 0.00 0.00 174.74 174.82 1pls s PHE 80 N 1.34 3.13 -0.08 1.40 0.08 -1.26 -2.21 117.98 120.39 1pls s PHE 80 Ca -0.08 0.21 0.02 0.00 0.12 0.00 0.00 56.93 57.20 1pls s PHE 80 Cb -0.11 -3.16 0.01 0.00 -0.57 0.00 0.00 43.02 39.19 1pls s PHE 80 CO -0.06 -0.68 -0.12 0.12 -0.10 0.00 0.00 175.22 174.37 1pls s PHE 81 N 2.69 1.55 -0.04 0.36 2.19 -1.00 -2.53 117.98 121.21 1pls s PHE 81 Ca 0.23 -0.62 0.04 0.00 0.33 0.00 0.00 56.93 56.91 1pls s PHE 81 Cb -0.15 -1.15 -0.00 0.00 -1.31 0.00 0.00 43.02 40.41 1pls s PHE 81 CO 0.16 -0.33 -0.16 -1.14 1.83 0.00 0.00 175.22 175.57 1pls s GLN 82 N 0.82 1.62 0.00 10.12 0.74 -0.96 -0.93 119.66 131.08 1pls s GLN 82 Ca -0.11 -0.57 0.00 0.00 0.05 0.00 0.00 55.36 54.73 1pls s GLN 82 Cb -0.15 -1.44 0.00 0.00 1.10 0.00 0.00 33.01 32.52 1pls s GLN 82 CO 0.02 0.24 0.00 0.00 -0.55 0.00 0.00 175.29 175.00 1pls n ALA 83 N 3.09 0.00 -1.81 1.58 0.00 -0.93 -2.43 120.51 120.01 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 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 0.02 -3.63 0.00 0.00 -1.26 -4.86 120.51 107.78 1pls n ALA 84 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1pls n ALA 84 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 1pls n ALA 84 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1pls n PHE 85 N -0.28 -1.12 0.28 0.00 -1.74 -1.26 -4.70 117.46 108.64 1pls n PHE 85 Ca 0.00 -2.17 -0.17 0.00 -0.56 0.00 0.00 57.45 54.55 1pls n PHE 85 Cb 0.00 -0.46 -0.09 0.00 1.52 0.00 0.00 39.48 40.46 1pls n PHE 85 CO 0.00 0.00 0.00 1.25 -0.56 0.00 0.00 176.76 177.45 1pls h LEU 86 N 0.00 -1.14 0.00 5.98 6.46 -1.98 -0.40 115.31 124.23 1pls h LEU 86 Ca -0.31 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.54 1pls h LEU 86 Cb 1.21 0.37 0.00 0.00 -0.73 0.00 0.00 40.66 41.51 1pls h LEU 86 CO 0.48 -0.59 0.00 1.21 -0.62 0.00 0.00 178.44 178.91 1pls n GLU 87 N -5.52 0.00 -0.31 1.25 4.07 -1.26 0.16 120.64 119.04 1pls n GLU 87 Ca -0.11 0.88 0.27 0.00 -0.06 0.00 0.00 57.16 58.14 1pls n GLU 87 Cb 0.42 -1.47 0.61 0.00 -0.06 0.00 0.00 31.44 30.94 1pls n GLU 87 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1pls h GLU 88 N 0.00 0.22 0.33 5.31 4.81 -1.96 -1.80 114.58 121.49 1pls h GLU 88 Ca 0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1pls h GLU 88 Cb 0.00 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1pls h GLU 88 CO 0.00 0.15 -0.25 -0.09 -0.73 0.00 0.00 179.01 178.08 1pls h ARG 89 N 0.23 -0.54 -0.13 1.92 2.43 0.15 -0.38 114.38 118.05 1pls h ARG 89 Ca 0.57 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.81 1pls h ARG 89 Cb 1.76 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 31.43 1pls h ARG 89 CO -0.17 -0.36 0.34 0.22 -1.51 0.00 0.00 179.97 178.48 1pls h ASP 90 N -0.56 0.00 -0.29 -3.80 3.58 -0.47 0.20 116.42 115.08 1pls h ASP 90 Ca -0.04 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.24 1pls h ASP 90 Cb 0.47 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.51 1pls h ASP 90 CO 0.01 0.00 -0.46 0.00 -2.88 0.00 0.00 179.24 175.91 1pls h ALA 91 N 1.45 0.44 0.10 -0.78 0.00 -0.50 0.54 119.26 120.52 1pls h ALA 91 Ca 0.06 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1pls h ALA 91 Cb 0.74 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1pls h ALA 91 CO -0.00 0.60 -0.05 -1.49 0.00 0.00 0.00 179.25 178.31 1pls h TRP 92 N 0.59 -0.12 0.00 0.00 4.06 0.69 -2.23 115.95 118.93 1pls h TRP 92 Ca 0.02 -0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.94 1pls h TRP 92 Cb 1.06 0.04 -0.00 0.00 -1.00 0.00 0.00 29.16 29.26 1pls h TRP 92 CO 0.08 0.40 -0.13 -0.39 -3.56 0.00 0.00 178.44 174.83 1pls h VAL 93 N -0.78 0.58 0.00 1.49 -1.51 -1.40 -1.70 116.25 112.93 1pls h VAL 93 Ca -0.01 -0.60 -0.09 0.00 -1.23 0.00 0.00 66.70 64.76 1pls h VAL 93 Cb 0.57 1.39 -0.01 0.00 -2.13 0.00 0.00 31.29 31.11 1pls h VAL 93 CO 0.02 0.13 -0.82 0.08 -1.23 0.00 0.00 177.57 175.75 1pls h ARG 94 N 0.00 0.00 0.16 5.19 0.11 -0.90 -2.54 114.38 116.40 1pls h ARG 94 Ca -0.00 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.74 1pls h ARG 94 Cb 0.38 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.46 1pls h ARG 94 CO 0.02 0.26 -1.72 -0.44 0.10 0.00 0.00 179.97 178.19 1pls h ASP 95 N 0.00 0.54 0.39 0.08 3.32 -0.92 -2.11 116.42 117.72 1pls h ASP 95 Ca -0.05 -0.82 -0.24 0.00 0.02 0.00 0.00 57.03 55.94 1pls h ASP 95 Cb 1.32 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1pls h ASP 95 CO 0.04 1.69 -1.01 0.40 -1.72 0.00 0.00 179.24 178.64 1pls h ILE 96 N 0.09 1.42 0.01 0.35 2.04 -1.45 -1.81 117.51 118.15 1pls h ILE 96 Ca -0.32 -2.57 -0.19 0.00 1.00 0.00 0.00 64.86 62.78 1pls h ILE 96 Cb 2.08 2.53 -0.02 0.00 -0.74 0.00 0.00 36.82 40.67 1pls h ILE 96 CO 0.17 0.76 -0.87 -1.13 0.00 0.00 0.00 178.15 177.08 1pls h ASN 97 N 0.20 0.16 0.24 1.72 -0.00 -1.59 -2.28 115.58 114.02 1pls h ASN 97 Ca -0.09 -0.13 -0.01 0.00 -0.00 0.00 0.00 56.30 56.06 1pls h ASN 97 Cb 1.66 -0.05 0.00 0.00 -0.00 0.00 0.00 38.32 39.93 1pls h ASN 97 CO 0.17 0.95 -0.11 0.50 -0.00 0.00 0.00 177.43 178.94 1pls h LYS 98 N 0.06 -0.30 -0.96 6.67 3.11 -1.38 -1.60 116.57 122.17 1pls h LYS 98 Ca -0.03 0.02 0.12 0.00 -2.81 0.00 0.00 60.65 57.95 1pls h LYS 98 Cb 1.51 0.07 -0.08 0.00 -1.00 0.00 0.00 32.23 32.73 1pls h LYS 98 CO 0.13 0.05 0.61 0.00 -2.81 0.00 0.00 179.45 177.42 1pls h ALA 99 N -0.52 1.61 -0.37 5.00 0.00 -1.42 -0.47 119.26 123.09 1pls h ALA 99 Ca -0.03 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1pls h ALA 99 Cb 0.49 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1pls h ALA 99 CO 0.05 0.15 0.13 0.82 0.00 0.00 0.00 179.25 180.41 1pls h ILE 100 N 0.91 1.20 0.00 0.00 2.04 -1.40 -0.67 117.51 119.59 1pls h ILE 100 Ca 0.47 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1pls h ILE 100 Cb 0.53 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1pls h ILE 100 CO -0.24 0.23 0.00 0.29 0.00 0.00 0.00 178.15 178.43 1pls n LYS 101 N -4.65 0.04 -0.06 2.37 4.76 -0.30 -1.54 118.16 118.78 1pls n LYS 101 Ca -0.01 0.27 -0.15 0.00 -2.87 0.00 0.00 58.31 55.55 1pls n LYS 101 Cb 0.16 -1.50 -0.14 0.00 -1.84 0.00 0.00 35.03 31.71 1pls n LYS 101 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pls h ILE 103 N 0.02 1.14 0.00 0.00 2.04 -0.77 -1.55 117.51 118.40 1pls h ILE 103 Ca -0.46 -2.60 0.00 0.00 1.00 0.00 0.00 64.86 62.80 1pls h ILE 103 Cb 2.04 2.55 0.00 0.00 -0.74 0.00 0.00 36.82 40.68 1pls h ILE 103 CO 0.03 0.65 0.00 -0.62 0.00 0.00 0.00 178.15 178.20 1pls n GLU 104 N -3.27 0.15 -0.08 2.37 1.02 -0.59 -2.75 120.64 117.48 1pls n GLU 104 Ca 0.01 0.13 0.01 0.00 -0.02 0.00 0.00 57.16 57.29 1pls n GLU 104 Cb 0.80 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.73 1pls n GLU 104 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pls n GLY 105 N 0.43 0.05 2.71 0.62 0.00 -1.14 -4.85 105.19 103.02 1pls n GLY 105 Ca 0.07 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.29 7.43 -1.32 0.99 4.77 -0.59 -5.00 117.00 122.99 1pls n LEU 106 Ca 0.02 -5.16 0.15 0.00 -0.03 0.00 0.00 56.01 50.98 1pls n LEU 106 Cb 0.47 -1.15 -0.08 0.00 -2.33 0.00 0.00 43.42 40.33 1pls n LEU 106 CO 0.00 1.96 -0.54 -0.62 -1.33 0.00 0.00 177.39 176.85 1pls n GLU 107 N -0.09 -2.86 -2.43 3.23 1.02 -1.26 -4.69 120.64 113.57 1pls n GLU 107 Ca 0.50 2.33 -0.26 0.00 -0.02 0.00 0.00 57.16 59.71 1pls n GLU 107 Cb 0.26 -3.43 0.00 0.00 -0.02 0.00 0.00 31.44 28.25 1pls n GLU 107 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1pls n HIS 108 N -4.16 3.25 -2.94 -0.32 8.25 -1.26 -4.90 115.22 113.13 1pls n HIS 108 Ca -0.08 -2.99 -0.42 0.00 -0.26 0.00 0.00 57.72 53.97 1pls n HIS 108 Cb 0.60 -0.12 0.01 0.00 1.12 0.00 0.00 29.99 31.59 1pls n HIS 108 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1pls n HIS 109 N -0.50 2.33 -1.34 4.41 -0.00 -1.26 -5.02 115.22 113.84 1pls n HIS 109 Ca 0.39 -2.58 0.03 0.00 -0.00 0.00 0.00 57.72 55.56 1pls n HIS 109 Cb 0.71 -1.23 -0.01 0.00 -0.00 0.00 0.00 29.99 29.46 1pls n HIS 109 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1pls n HIS 110 N 1.05 -1.91 -1.47 1.57 -0.00 -1.26 -4.24 115.22 108.96 1pls n HIS 110 Ca 0.30 0.30 -0.00 0.00 0.46 0.00 0.00 57.72 58.77 1pls n HIS 110 Cb 0.32 -0.48 0.20 0.00 -0.12 0.00 0.00 29.99 29.91 1pls n HIS 110 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1pls n HIS 111 N -1.27 0.72 -1.99 1.57 -0.00 -1.26 -5.04 115.22 107.96 1pls n HIS 111 Ca 0.00 -1.53 0.00 0.00 -0.00 0.00 0.00 57.72 56.19 1pls n HIS 111 Cb 0.11 -0.40 0.00 0.00 -0.00 0.00 0.00 29.99 29.69 1pls n HIS 111 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1pls n HIS 112 N -1.11 -3.99 -0.48 4.41 -0.00 -1.26 -5.22 115.22 107.56 1pls n HIS 112 Ca 0.28 2.38 0.00 0.00 0.46 0.00 0.00 57.72 60.85 1pls n HIS 112 Cb 0.92 -3.47 0.00 0.00 -0.12 0.00 0.00 29.99 27.32 1pls n HIS 112 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38