#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pls s GLU 2 N 0.00 1.63 0.00 0.03 2.02 -1.26 -5.16 118.70 115.96 1pls s GLU 2 Ca 0.00 -1.58 0.00 0.00 0.02 0.00 0.00 54.97 53.41 1pls s GLU 2 Cb 0.00 0.41 0.00 0.00 0.10 0.00 0.00 34.13 34.64 1pls s GLU 2 CO 0.00 -0.65 0.00 -2.30 0.02 0.00 0.00 175.26 172.33 1pls n PRO 3 N -0.44 2.50 -3.37 0.39 -0.02 -1.26 -4.31 135.00 128.48 1pls n PRO 3 Ca 0.01 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.21 1pls n PRO 3 Cb 0.63 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 34.14 1pls n PRO 3 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1pls n LYS 4 N 0.00 -1.70 -2.18 -0.52 5.02 -1.26 -4.22 118.16 113.30 1pls n LYS 4 Ca 0.00 1.40 -0.01 0.00 -2.02 0.00 0.00 58.31 57.68 1pls n LYS 4 Cb 0.00 -2.25 0.00 0.00 -0.02 0.00 0.00 35.03 32.76 1pls n LYS 4 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1pls n ARG 5 N 0.11 -1.73 -0.10 1.97 0.63 -1.26 -4.93 116.66 111.34 1pls n ARG 5 Ca -0.05 1.64 -0.11 0.00 -0.92 0.00 0.00 57.85 58.41 1pls n ARG 5 Cb 0.61 -3.51 -0.03 0.00 0.45 0.00 0.00 32.46 29.98 1pls n ARG 5 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1pls h ILE 6 N 1.49 1.28 -3.88 5.15 2.04 -1.61 -3.45 117.51 118.52 1pls h ILE 6 Ca 0.00 -1.11 -0.55 0.00 1.00 0.00 0.00 64.86 64.21 1pls h ILE 6 Cb 0.16 1.38 -0.21 0.00 -0.74 0.00 0.00 36.82 37.41 1pls h ILE 6 CO 0.07 0.36 -0.82 -0.60 0.00 0.00 0.00 178.15 177.16 1pls s ARG 7 N -4.78 1.12 -0.30 2.37 6.06 -0.92 -4.86 118.95 117.64 1pls s ARG 7 Ca -0.13 -1.17 -0.11 0.00 -2.50 0.00 0.00 55.73 51.82 1pls s ARG 7 Cb 0.08 -1.35 0.13 0.00 0.06 0.00 0.00 34.95 33.87 1pls s ARG 7 CO 0.78 0.31 0.67 -1.83 -2.50 0.00 0.00 175.30 172.73 1pls s GLU 8 N -1.96 0.58 0.00 5.12 1.03 -1.26 -0.95 118.70 121.25 1pls s GLU 8 Ca 0.07 1.40 0.00 0.00 0.03 0.00 0.00 54.97 56.46 1pls s GLU 8 Cb -0.10 0.77 0.00 0.00 -0.80 0.00 0.00 34.13 34.00 1pls s GLU 8 CO 0.04 -0.19 0.00 0.41 -1.33 0.00 0.00 175.26 174.19 1pls n GLY 9 N 5.28 3.70 2.62 -3.83 0.00 -0.73 -4.98 105.19 107.25 1pls n GLY 9 Ca -0.13 -0.37 -0.25 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.38 0.07 0.40 1.61 1.13 -1.26 -1.91 117.35 117.01 1pls s TYR 10 Ca 0.00 -0.52 0.07 0.00 -1.41 0.00 0.00 57.07 55.21 1pls s TYR 10 Cb 0.00 -0.72 -0.07 0.00 -1.10 0.00 0.00 41.96 40.08 1pls s TYR 10 CO 0.00 -0.78 0.07 -0.51 -2.51 0.00 0.00 175.55 171.82 1pls s LEU 11 N 2.19 2.98 -0.17 -3.49 2.01 -0.28 -4.70 118.68 117.21 1pls s LEU 11 Ca 0.08 -1.20 -0.08 0.00 0.01 0.00 0.00 54.13 52.94 1pls s LEU 11 Cb -0.16 -1.17 -0.04 0.00 0.01 0.00 0.00 46.19 44.83 1pls s LEU 11 CO -0.29 -0.45 0.11 0.54 1.01 0.00 0.00 176.35 177.27 1pls s VAL 12 N -2.64 5.22 -0.06 -1.59 0.11 -0.89 0.02 120.40 120.58 1pls s VAL 12 Ca 0.37 0.11 0.03 0.00 -2.93 0.00 0.00 61.98 59.56 1pls s VAL 12 Cb 0.06 -3.33 0.01 0.00 -1.53 0.00 0.00 36.38 31.59 1pls s VAL 12 CO 0.20 0.51 -0.13 -0.75 -3.33 0.00 0.00 175.10 171.59 1pls s LYS 13 N -0.12 1.66 0.15 1.54 2.20 -0.99 -0.80 119.74 123.40 1pls s LYS 13 Ca 0.09 -0.46 -0.03 0.00 -0.36 0.00 0.00 55.97 55.21 1pls s LYS 13 Cb -0.12 -1.40 -0.05 0.00 -1.51 0.00 0.00 37.83 34.75 1pls s LYS 13 CO 0.00 0.09 0.36 0.21 -0.36 0.00 0.00 175.35 175.66 1pls s LYS 14 N 0.46 3.57 0.00 4.03 2.20 -0.86 -3.76 119.74 125.38 1pls s LYS 14 Ca -0.11 -0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.31 1pls s LYS 14 Cb -0.14 -2.86 0.00 0.00 -1.51 0.00 0.00 37.83 33.32 1pls s LYS 14 CO 0.03 0.46 0.00 0.41 -0.36 0.00 0.00 175.35 175.89 1pls n GLY 15 N -0.11 1.10 5.05 5.54 0.00 -1.26 -4.10 105.19 111.40 1pls n GLY 15 Ca -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1pls n GLY 15 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pls n SER 16 N 0.00 0.00 -4.12 1.61 2.88 -1.26 -4.76 113.62 107.97 1pls n SER 16 Ca 0.00 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.18 1pls n SER 16 Cb 0.00 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.54 1pls n SER 16 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1pls n VAL 17 N 0.00 0.00 -1.12 2.46 3.14 -1.26 -4.94 118.33 116.61 1pls n VAL 17 Ca 0.00 -0.21 -0.18 0.00 -2.96 0.00 0.00 64.34 60.98 1pls n VAL 17 Cb 0.00 -0.22 0.14 0.00 -1.06 0.00 0.00 33.84 32.70 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 -3.49 -3.73 -1.32 1.45 1.16 -1.26 -4.77 117.46 105.50 1pls n PHE 18 Ca -0.00 -0.66 -0.57 0.00 -1.87 0.00 0.00 57.45 54.35 1pls n PHE 18 Cb 0.65 -0.68 -0.10 0.00 -1.61 0.00 0.00 39.48 37.74 1pls n PHE 18 CO 0.00 0.00 0.00 -1.71 -1.87 0.00 0.00 176.76 173.18 1pls n ASN 19 N -3.92 1.20 0.16 5.98 4.05 -1.26 -4.54 115.26 116.94 1pls n ASN 19 Ca 0.10 0.59 0.00 0.00 0.45 0.00 0.00 54.58 55.71 1pls n ASN 19 Cb 0.36 -1.02 0.00 0.00 1.23 0.00 0.00 39.78 40.35 1pls n ASN 19 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 1pls n THR 20 N 6.74 0.00 -2.24 -0.44 -2.24 -1.26 -5.13 114.28 109.71 1pls n THR 20 Ca 0.51 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 62.27 1pls n THR 20 Cb 0.05 -0.34 -0.02 0.00 -2.10 0.00 0.00 70.33 67.92 1pls n THR 20 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1pls n TRP 21 N -3.37 -3.94 -4.86 4.78 7.02 -1.26 -5.01 117.44 110.79 1pls n TRP 21 Ca 0.00 2.33 -0.27 0.00 -1.02 0.00 0.00 57.50 58.54 1pls n TRP 21 Cb 0.00 -3.54 -0.16 0.00 -2.42 0.00 0.00 31.31 25.18 1pls n TRP 21 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1pls s LYS 22 N -0.80 1.87 0.94 -0.99 1.02 -1.25 -4.88 119.74 115.65 1pls s LYS 22 Ca -0.10 -0.63 -0.13 0.00 0.02 0.00 0.00 55.97 55.14 1pls s LYS 22 Cb 0.01 -1.61 0.04 0.00 -0.52 0.00 0.00 37.83 35.75 1pls s LYS 22 CO 0.26 0.24 0.44 -2.30 -0.92 0.00 0.00 175.35 173.07 1pls n PRO 23 N 3.18 -0.27 -3.69 -1.68 -0.02 -1.26 -2.33 135.00 128.93 1pls n PRO 23 Ca -0.18 -0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 1pls n PRO 23 Cb 0.53 -1.88 -0.00 0.00 -0.02 0.00 0.00 33.50 32.13 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 -3.64 0.62 0.08 -0.52 0.23 0.10 -4.79 119.30 111.39 1pls s MET 24 Ca 0.58 -0.35 -0.18 0.00 -1.03 0.00 0.00 55.69 54.70 1pls s MET 24 Cb -0.22 0.21 -0.07 0.00 -1.53 0.00 0.00 34.83 33.22 1pls s MET 24 CO 0.67 -0.29 0.56 -0.46 -2.03 0.00 0.00 175.02 173.47 1pls s TRP 25 N -2.58 3.77 -0.17 3.16 -0.11 0.18 -1.13 118.94 122.05 1pls s TRP 25 Ca 0.15 1.23 -0.09 0.00 1.22 0.00 0.00 56.10 58.62 1pls s TRP 25 Cb 0.03 -2.47 0.07 0.00 -1.50 0.00 0.00 33.47 29.59 1pls s TRP 25 CO -0.02 0.56 0.41 0.54 -4.62 0.00 0.00 176.95 173.82 1pls s VAL 26 N -1.17 -0.17 -0.14 5.86 0.11 -0.80 0.58 120.40 124.67 1pls s VAL 26 Ca 0.30 0.11 0.00 0.00 -2.93 0.00 0.00 61.98 59.47 1pls s VAL 26 Cb -0.19 -0.62 0.02 0.00 -1.53 0.00 0.00 36.38 34.07 1pls s VAL 26 CO 0.19 0.05 -0.11 0.68 -3.33 0.00 0.00 175.10 172.57 1pls s VAL 27 N 1.69 1.37 -0.53 2.04 -7.23 -0.87 -1.77 120.40 115.09 1pls s VAL 27 Ca -0.08 -0.53 -0.23 0.00 -1.81 0.00 0.00 61.98 59.34 1pls s VAL 27 Cb -0.09 -1.33 0.04 0.00 0.56 0.00 0.00 36.38 35.56 1pls s VAL 27 CO -0.13 0.40 0.87 -1.48 -0.31 0.00 0.00 175.10 174.46 1pls s LEU 28 N 1.57 4.28 0.47 1.32 0.05 -0.13 -2.35 118.68 123.88 1pls s LEU 28 Ca 0.05 -0.44 -0.02 0.00 0.05 0.00 0.00 54.13 53.76 1pls s LEU 28 Cb -0.13 -2.77 -0.01 0.00 -2.05 0.00 0.00 46.19 41.23 1pls s LEU 28 CO -0.10 -1.14 0.73 -0.76 -0.55 0.00 0.00 176.35 174.53 1pls s LEU 29 N 3.65 3.62 0.13 1.48 1.02 -0.51 -2.16 118.68 125.90 1pls s LEU 29 Ca 0.27 0.58 0.21 0.00 0.02 0.00 0.00 54.13 55.22 1pls s LEU 29 Cb -0.14 -3.46 0.86 0.00 0.02 0.00 0.00 46.19 43.47 1pls s LEU 29 CO 0.18 -0.67 1.66 -1.84 0.02 0.00 0.00 176.35 175.70 1pls n GLU 30 N -2.18 0.11 0.00 1.70 0.28 -1.26 -2.35 120.64 116.94 1pls n GLU 30 Ca 0.01 0.28 0.08 0.00 -0.16 0.00 0.00 57.16 57.36 1pls n GLU 30 Cb 0.57 -1.68 0.05 0.00 1.43 0.00 0.00 31.44 31.81 1pls n GLU 30 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1pls n ASP 31 N -1.88 2.14 0.00 -1.84 8.00 -1.26 -4.84 116.55 116.87 1pls n ASP 31 Ca 0.04 -1.57 0.00 0.00 0.71 0.00 0.00 54.79 53.97 1pls n ASP 31 Cb 0.25 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 1pls n ASP 31 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pls n GLY 32 N 0.90 3.89 3.47 0.44 0.00 -0.99 -4.49 105.19 108.41 1pls n GLY 32 Ca 0.08 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.47 5.06 -0.09 -0.61 -1.09 -0.47 -1.42 121.20 121.11 1pls s ILE 33 Ca 0.00 -0.40 0.05 0.00 -2.23 0.00 0.00 60.65 58.07 1pls s ILE 33 Cb 0.00 -4.09 -0.00 0.00 -1.58 0.00 0.00 42.46 36.79 1pls s ILE 33 CO 0.00 -0.49 -0.24 -1.83 -1.23 0.00 0.00 174.94 171.15 1pls s GLU 34 N 2.20 2.88 0.01 2.79 -1.05 -0.99 0.42 118.70 124.96 1pls s GLU 34 Ca 0.12 -0.88 0.05 0.00 -0.15 0.00 0.00 54.97 54.11 1pls s GLU 34 Cb -0.18 -2.26 -0.02 0.00 -0.44 0.00 0.00 34.13 31.23 1pls s GLU 34 CO 0.13 0.26 -0.16 -0.59 0.95 0.00 0.00 175.26 175.84 1pls s PHE 35 N 0.16 1.46 0.00 4.83 -0.12 -1.00 -2.06 117.98 121.25 1pls s PHE 35 Ca -0.13 -0.31 0.00 0.00 -0.05 0.00 0.00 56.93 56.44 1pls s PHE 35 Cb -0.16 -0.91 0.00 0.00 -0.63 0.00 0.00 43.02 41.32 1pls s PHE 35 CO 0.07 0.01 0.00 0.66 -0.05 0.00 0.00 175.22 175.91 1pls n TYR 36 N 2.33 0.00 -0.05 3.49 4.02 0.20 -2.35 117.16 124.79 1pls n TYR 36 Ca -0.16 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.68 1pls n TYR 36 Cb 0.54 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.85 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 0.32 -2.33 -0.72 4.81 -1.26 -0.48 118.16 118.50 1pls n LYS 37 Ca 0.00 0.25 -0.21 0.00 -0.87 0.00 0.00 58.31 57.48 1pls n LYS 37 Cb 0.00 -1.20 0.11 0.00 0.02 0.00 0.00 35.03 33.95 1pls n LYS 37 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1pls n LYS 38 N -3.78 -0.07 -0.31 1.64 5.02 -1.26 0.50 118.16 119.89 1pls n LYS 38 Ca -0.07 -2.41 0.15 0.00 -2.02 0.00 0.00 58.31 53.96 1pls n LYS 38 Cb 0.27 -0.62 0.33 0.00 -0.02 0.00 0.00 35.03 35.00 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 0.33 -1.59 1.97 3.64 -1.95 -3.18 116.57 115.80 1pls h LYS 39 Ca -0.30 -0.02 -0.49 0.00 -1.27 0.00 0.00 60.65 58.58 1pls h LYS 39 Cb 1.09 -0.07 -0.34 0.00 -0.41 0.00 0.00 32.23 32.50 1pls h LYS 39 CO 0.32 0.22 -0.98 0.43 -2.27 0.00 0.00 179.45 177.16 1pls n SER 40 N -5.09 -0.44 0.24 4.20 7.64 -1.26 -4.92 113.62 113.99 1pls n SER 40 Ca 0.23 -2.83 0.12 0.00 1.01 0.00 0.00 58.87 57.40 1pls n SER 40 Cb 0.71 -0.12 0.50 0.00 -1.01 0.00 0.00 64.21 64.28 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 3.95 0.00 0.00 6.43 3.58 -1.90 -3.43 116.42 125.06 1pls h ASP 41 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1pls h ASP 41 Cb 0.92 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.97 1pls h ASP 41 CO 0.43 0.00 0.00 -3.20 -2.88 0.00 0.00 179.24 173.59 1pls n ASN 42 N -2.91 0.00 -3.80 2.28 2.85 -1.26 -4.97 115.26 107.45 1pls n ASN 42 Ca 0.03 0.00 -0.24 0.00 -0.11 0.00 0.00 54.58 54.26 1pls n ASN 42 Cb 0.74 0.00 -0.17 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 -1.28 1.76 0.17 1.20 0.15 -1.26 -5.12 113.70 109.33 1pls s SER 43 Ca 0.00 -0.16 -0.30 0.00 0.70 0.00 0.00 55.95 56.19 1pls s SER 43 Cb 0.00 -0.53 -0.08 0.00 -1.71 0.00 0.00 66.02 63.70 1pls s SER 43 CO 0.00 -0.18 1.34 -2.16 1.20 0.00 0.00 173.24 173.43 1pls s PRO 44 N 1.91 4.36 0.17 5.44 0.04 -1.26 -4.67 135.00 141.00 1pls s PRO 44 Ca 0.05 2.06 0.21 0.00 0.04 0.00 0.00 61.00 63.36 1pls s PRO 44 Cb -0.12 -3.21 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 1pls s PRO 44 CO -0.06 -0.32 1.00 -0.22 0.04 0.00 0.00 177.00 177.45 1pls h LYS 45 N 5.84 0.00 -1.80 4.56 3.64 -1.80 -3.46 116.57 123.56 1pls h LYS 45 Ca -0.44 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.02 1pls h LYS 45 Cb 1.21 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.83 1pls h LYS 45 CO 0.80 0.08 -0.16 0.20 -2.27 0.00 0.00 179.45 178.10 1pls s GLY 46 N -4.47 -0.78 0.38 5.01 0.00 -1.19 -5.07 107.32 101.20 1pls s GLY 46 Ca -0.01 2.25 0.07 0.00 0.00 0.00 0.00 44.72 47.04 1pls s GLY 46 CO 0.79 3.13 0.41 1.06 0.00 0.00 0.00 173.10 178.50 1pls s MET 47 N 2.89 2.76 -0.18 2.90 -1.94 -1.26 -2.37 119.30 122.10 1pls s MET 47 Ca -0.01 -1.31 -0.05 0.00 -1.71 0.00 0.00 55.69 52.62 1pls s MET 47 Cb -0.13 -2.57 0.07 0.00 2.01 0.00 0.00 34.83 34.21 1pls s MET 47 CO -0.19 -0.09 0.11 0.42 -0.01 0.00 0.00 175.02 175.26 1pls s ILE 48 N -2.35 -0.13 -0.13 2.53 1.01 0.17 -4.95 121.20 117.36 1pls s ILE 48 Ca 0.47 -0.17 -0.29 0.00 0.00 0.00 0.00 60.65 60.66 1pls s ILE 48 Cb -0.07 -0.60 -0.04 0.00 0.01 0.00 0.00 42.46 41.77 1pls s ILE 48 CO 0.29 -0.28 1.58 -2.16 0.00 0.00 0.00 174.94 174.37 1pls s PRO 49 N 2.17 4.05 0.00 2.79 0.04 -1.26 -1.37 135.00 141.42 1pls s PRO 49 Ca 0.03 1.92 0.12 0.00 0.04 0.00 0.00 61.00 63.11 1pls s PRO 49 Cb -0.16 -3.97 0.57 0.00 0.04 0.00 0.00 34.50 30.98 1pls s PRO 49 CO -0.10 -0.98 1.31 1.28 0.04 0.00 0.00 177.00 178.55 1pls n LEU 50 N 7.51 0.00 -0.05 -3.56 4.32 -1.26 -3.79 117.00 120.17 1pls n LEU 50 Ca 0.17 0.35 -0.02 0.00 -0.02 0.00 0.00 56.01 56.49 1pls n LEU 50 Cb 0.44 -0.35 -0.02 0.00 -1.62 0.00 0.00 43.42 41.87 1pls n LEU 50 CO 0.62 -0.21 0.50 0.11 -1.22 0.00 0.00 177.39 177.19 1pls h LYS 51 N 0.00 -0.04 -1.09 3.23 1.57 -1.91 -3.38 116.57 114.96 1pls h LYS 51 Ca 0.00 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.40 1pls h LYS 51 Cb 0.14 0.01 -0.26 0.00 0.08 0.00 0.00 32.23 32.19 1pls h LYS 51 CO 0.00 -0.02 -0.79 0.41 -0.57 0.00 0.00 179.45 178.48 1pls n GLY 52 N -1.06 1.32 3.05 3.86 0.00 -1.25 -4.63 105.19 106.48 1pls n GLY 52 Ca -0.00 -0.66 -0.19 0.00 0.00 0.00 0.00 46.02 45.17 1pls n GLY 52 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pls n SER 53 N 1.73 0.79 -3.63 1.61 7.64 -1.26 -1.19 113.62 119.33 1pls n SER 53 Ca 0.16 -1.75 -0.24 0.00 1.01 0.00 0.00 58.87 58.05 1pls n SER 53 Cb 0.57 -0.59 -0.17 0.00 -1.01 0.00 0.00 64.21 63.01 1pls n SER 53 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1pls s THR 54 N -2.63 -0.10 -0.06 0.44 2.01 0.58 -4.82 115.64 111.06 1pls s THR 54 Ca 0.54 0.02 -0.21 0.00 0.31 0.00 0.00 61.69 62.35 1pls s THR 54 Cb -0.03 -0.45 -0.04 0.00 0.01 0.00 0.00 72.50 72.00 1pls s THR 54 CO 0.36 -0.14 0.61 -0.22 -0.69 0.00 0.00 174.62 174.55 1pls s LEU 55 N 2.16 4.33 -0.06 4.42 1.98 -1.26 0.30 118.68 130.55 1pls s LEU 55 Ca 0.03 1.08 0.04 0.00 -2.89 0.00 0.00 54.13 52.39 1pls s LEU 55 Cb -0.15 -2.93 -0.02 0.00 0.66 0.00 0.00 46.19 43.75 1pls s LEU 55 CO -0.07 -0.02 -0.18 -0.89 -1.89 0.00 0.00 176.35 173.30 1pls s THR 56 N 0.48 2.74 -0.18 3.68 2.01 -0.01 -4.96 115.64 119.40 1pls s THR 56 Ca 0.32 -0.83 -0.05 0.00 0.31 0.00 0.00 61.69 61.44 1pls s THR 56 Cb -0.17 -2.06 0.09 0.00 0.01 0.00 0.00 72.50 70.37 1pls s THR 56 CO 0.16 0.58 0.36 -0.94 -0.69 0.00 0.00 174.62 174.08 1pls s SER 57 N -0.45 0.07 0.09 3.53 1.04 -1.26 -2.13 113.70 114.59 1pls s SER 57 Ca 0.05 0.70 0.00 0.00 0.48 0.00 0.00 55.95 57.18 1pls s SER 57 Cb -0.12 1.08 0.00 0.00 0.10 0.00 0.00 66.02 67.08 1pls s SER 57 CO 0.02 -0.25 0.00 -0.81 0.98 0.00 0.00 173.24 173.18 1pls n PRO 58 N 5.37 0.83 0.00 4.02 -0.04 -1.26 -5.11 135.00 138.81 1pls n PRO 58 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1pls n PRO 58 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 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 0.48 -0.32 0.00 7.27 -1.26 -4.87 117.38 118.68 1pls n GLN 60 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 57.00 57.08 1pls n GLN 60 Cb 0.00 0.00 0.13 0.00 2.41 0.00 0.00 30.24 32.78 1pls n GLN 60 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1pls n ASP 61 N -1.03 2.70 -0.08 1.69 2.03 -1.26 -3.80 116.55 116.80 1pls n ASP 61 Ca 0.00 -2.35 -0.10 0.00 0.52 0.00 0.00 54.79 52.86 1pls n ASP 61 Cb 0.00 -0.57 -0.05 0.00 -0.72 0.00 0.00 41.12 39.78 1pls n ASP 61 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1pls h PHE 62 N 1.26 0.00 0.00 -0.67 3.04 -2.03 -3.40 116.94 115.14 1pls h PHE 62 Ca 0.02 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.97 1pls h PHE 62 Cb 1.08 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.59 1pls h PHE 62 CO 0.40 0.51 -0.00 0.78 -2.02 0.00 0.00 178.31 177.98 1pls h GLY 63 N -1.00 -0.00 -4.47 2.40 0.00 -1.94 -3.45 103.07 94.60 1pls h GLY 63 Ca -0.11 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1pls h GLY 63 CO -0.07 -0.00 -0.01 0.58 0.00 0.00 0.00 176.54 177.04 1pls n LYS 64 N -4.73 -2.65 -0.25 4.80 2.85 -1.25 -4.58 118.16 112.36 1pls n LYS 64 Ca -0.09 0.03 0.01 0.00 -1.05 0.00 0.00 58.31 57.20 1pls n LYS 64 Cb 0.37 -4.45 0.01 0.00 -0.65 0.00 0.00 35.03 30.31 1pls n LYS 64 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1pls n ARG 65 N -2.27 0.23 0.00 -1.58 0.63 -1.26 -5.13 116.66 107.27 1pls n ARG 65 Ca -0.01 -0.92 0.00 0.00 -0.92 0.00 0.00 57.85 56.00 1pls n ARG 65 Cb 0.43 -0.59 0.00 0.00 0.45 0.00 0.00 32.46 32.75 1pls n ARG 65 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 1pls n MET 66 N -0.11 0.00 -1.65 -0.14 2.81 -1.26 -4.80 117.12 111.97 1pls n MET 66 Ca 0.01 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.80 1pls n MET 66 Cb 0.59 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 33.07 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 -0.35 -0.85 -3.63 2.03 3.72 -1.26 -4.85 117.46 112.28 1pls n PHE 67 Ca 0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.36 1pls n PHE 67 Cb 0.00 -2.24 -0.06 0.00 -0.94 0.00 0.00 39.48 36.25 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 -2.03 -0.37 0.38 -4.37 0.11 -1.26 -1.22 120.40 111.63 1pls s VAL 68 Ca 0.00 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.13 1pls s VAL 68 Cb 0.00 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.79 1pls s VAL 68 CO 0.00 0.00 0.06 0.72 -3.33 0.00 0.00 175.10 172.55 1pls s PHE 69 N 2.09 2.56 -0.25 1.54 -0.12 -0.84 -2.93 117.98 120.03 1pls s PHE 69 Ca -0.08 -0.53 0.01 0.00 -0.05 0.00 0.00 56.93 56.28 1pls s PHE 69 Cb -0.07 -1.69 0.07 0.00 -0.63 0.00 0.00 43.02 40.70 1pls s PHE 69 CO -0.19 0.39 -0.04 0.21 -0.05 0.00 0.00 175.22 175.53 1pls s LYS 70 N -3.77 1.65 0.55 1.99 2.36 -0.91 -2.33 119.74 119.29 1pls s LYS 70 Ca 0.37 -1.12 -0.02 0.00 -2.55 0.00 0.00 55.97 52.64 1pls s LYS 70 Cb 0.03 -2.65 0.02 0.00 -1.05 0.00 0.00 37.83 34.18 1pls s LYS 70 CO 0.20 -0.64 0.81 0.42 1.55 0.00 0.00 175.35 177.69 1pls s ILE 71 N 1.32 3.32 -0.38 5.43 1.01 -0.54 -0.83 121.20 130.54 1pls s ILE 71 Ca -0.04 -0.36 0.04 0.00 0.00 0.00 0.00 60.65 60.29 1pls s ILE 71 Cb -0.19 -3.28 0.16 0.00 0.01 0.00 0.00 42.46 39.15 1pls s ILE 71 CO -0.07 -0.24 0.40 -0.89 0.00 0.00 0.00 174.94 174.14 1pls s THR 72 N -2.83 -0.37 0.99 2.92 2.01 0.15 -0.65 115.64 117.86 1pls s THR 72 Ca 0.54 -0.99 -0.17 0.00 0.31 0.00 0.00 61.69 61.37 1pls s THR 72 Cb -0.10 -0.62 0.04 0.00 0.01 0.00 0.00 72.50 71.83 1pls s THR 72 CO 0.41 -0.55 -0.28 0.35 -0.69 0.00 0.00 174.62 173.86 1pls n THR 73 N 4.15 0.00 0.27 -0.82 -2.24 -1.24 -0.31 114.28 114.09 1pls n THR 73 Ca 0.12 -0.11 0.15 0.00 -2.27 0.00 0.00 64.05 61.94 1pls n THR 73 Cb 0.46 -0.36 0.71 0.00 -2.10 0.00 0.00 70.33 69.04 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 -2.01 0.27 0.00 4.28 1.03 -1.39 -1.44 112.91 113.65 1pls h THR 74 Ca -0.35 -0.60 0.00 0.00 -0.01 0.00 0.00 66.41 65.44 1pls h THR 74 Cb 1.04 1.47 0.00 0.00 -1.07 0.00 0.00 68.15 69.59 1pls h THR 74 CO 0.23 0.08 0.00 1.17 -0.01 0.00 0.00 175.52 176.99 1pls n LYS 75 N -3.29 0.29 -2.38 0.00 4.81 -1.26 -4.86 118.16 111.48 1pls n LYS 75 Ca -0.01 0.09 -0.01 0.00 -0.87 0.00 0.00 58.31 57.51 1pls n LYS 75 Cb 0.29 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.84 1pls n LYS 75 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1pls n GLN 76 N -1.30 -0.26 -3.61 1.64 6.02 -0.54 -5.01 117.38 114.32 1pls n GLN 76 Ca 0.10 0.04 -0.39 0.00 -0.01 0.00 0.00 57.00 56.73 1pls n GLN 76 Cb 0.17 -2.95 -0.08 0.00 1.02 0.00 0.00 30.24 28.40 1pls n GLN 76 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1pls s GLN 77 N -4.73 2.83 0.93 -1.09 -2.07 -1.26 -4.92 119.66 109.35 1pls s GLN 77 Ca 0.02 -2.49 -0.12 0.00 -1.82 0.00 0.00 55.36 50.94 1pls s GLN 77 Cb -0.01 -3.92 0.05 0.00 -1.09 0.00 0.00 33.01 28.05 1pls s GLN 77 CO 0.02 -1.20 0.55 -0.25 -1.32 0.00 0.00 175.29 173.09 1pls n ASP 78 N 3.65 -1.57 -3.68 12.60 8.00 -1.26 -3.62 116.55 130.67 1pls n ASP 78 Ca 0.09 0.37 -0.10 0.00 0.71 0.00 0.00 54.79 55.85 1pls n ASP 78 Cb 0.40 -1.26 -0.11 0.00 -0.02 0.00 0.00 41.12 40.13 1pls n ASP 78 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1pls s HIS 79 N -2.40 -0.62 -0.34 1.24 3.76 0.18 -4.91 115.29 112.19 1pls s HIS 79 Ca 0.59 1.28 -0.13 0.00 -0.15 0.00 0.00 55.06 56.66 1pls s HIS 79 Cb -0.22 0.21 -0.01 0.00 1.11 0.00 0.00 32.58 33.67 1pls s HIS 79 CO 0.65 -0.39 0.24 -0.06 -0.85 0.00 0.00 174.74 174.33 1pls s PHE 80 N 2.03 3.23 0.11 1.40 0.40 -1.26 -1.46 117.98 122.42 1pls s PHE 80 Ca -0.05 -0.28 0.10 0.00 -0.60 0.00 0.00 56.93 56.10 1pls s PHE 80 Cb -0.11 -2.48 -0.04 0.00 0.51 0.00 0.00 43.02 40.91 1pls s PHE 80 CO -0.12 -0.39 -0.25 0.12 0.70 0.00 0.00 175.22 175.28 1pls s PHE 81 N 1.71 2.37 -0.02 0.36 2.19 -0.98 -2.03 117.98 121.57 1pls s PHE 81 Ca 0.06 -0.36 0.01 0.00 0.33 0.00 0.00 56.93 56.97 1pls s PHE 81 Cb -0.18 -1.30 0.02 0.00 -1.31 0.00 0.00 43.02 40.25 1pls s PHE 81 CO 0.10 0.31 -0.01 -1.14 1.83 0.00 0.00 175.22 176.31 1pls s GLN 82 N -1.91 0.23 0.00 10.12 0.74 0.02 -1.98 119.66 126.88 1pls s GLN 82 Ca 0.14 0.02 0.00 0.00 0.05 0.00 0.00 55.36 55.58 1pls s GLN 82 Cb -0.10 -0.34 0.00 0.00 1.10 0.00 0.00 33.01 33.67 1pls s GLN 82 CO 0.06 -0.06 0.00 0.00 -0.55 0.00 0.00 175.29 174.74 1pls n ALA 83 N 3.70 0.00 0.68 1.58 0.00 -0.35 -2.08 120.51 124.03 1pls n ALA 83 Ca -0.21 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.30 1pls n ALA 83 Cb 0.54 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.02 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 2.76 -3.63 0.00 0.00 -1.26 -4.86 120.51 110.52 1pls n ALA 84 Ca 0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 53.44 52.84 1pls n ALA 84 Cb 0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 19.45 18.90 1pls n ALA 84 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1pls s PHE 85 N -1.56 -0.10 -0.45 0.00 -0.12 -1.26 -4.99 117.98 109.50 1pls s PHE 85 Ca 0.16 -0.03 0.21 0.00 -0.05 0.00 0.00 56.93 57.22 1pls s PHE 85 Cb 0.13 0.56 0.97 0.00 -0.63 0.00 0.00 43.02 44.05 1pls s PHE 85 CO 0.28 -0.39 1.64 -0.11 -0.05 0.00 0.00 175.22 176.59 1pls n LEU 86 N -0.38 0.56 0.06 -1.99 7.94 -1.26 -1.66 117.00 120.26 1pls n LEU 86 Ca -0.06 0.68 -0.03 0.00 -1.11 0.00 0.00 56.01 55.49 1pls n LEU 86 Cb 0.61 -0.65 -0.01 0.00 0.53 0.00 0.00 43.42 43.90 1pls n LEU 86 CO 0.12 -0.66 0.22 -0.33 -1.11 0.00 0.00 177.39 175.63 1pls h GLU 87 N 0.00 -0.16 0.00 1.96 5.08 -1.99 -1.90 114.58 117.56 1pls h GLU 87 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1pls h GLU 87 Cb 0.23 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1pls h GLU 87 CO 0.00 -0.11 0.00 -1.91 -1.00 0.00 0.00 179.01 175.99 1pls n GLU 88 N -2.88 0.17 -0.03 2.33 4.07 -1.21 -2.34 120.64 120.75 1pls n GLU 88 Ca -0.02 0.52 -0.12 0.00 -0.06 0.00 0.00 57.16 57.47 1pls n GLU 88 Cb 0.07 -1.91 -0.10 0.00 -0.06 0.00 0.00 31.44 29.44 1pls n GLU 88 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 1pls h ARG 89 N 0.00 -0.04 0.00 5.31 1.12 -1.31 -0.61 114.38 118.85 1pls h ARG 89 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1pls h ARG 89 Cb 0.21 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.18 1pls h ARG 89 CO 0.00 0.65 0.00 0.22 -3.11 0.00 0.00 179.97 177.73 1pls h ASP 90 N -0.84 0.00 0.56 -3.80 1.82 -1.12 -1.15 116.42 111.90 1pls h ASP 90 Ca -0.00 0.00 -0.28 0.00 -0.39 0.00 0.00 57.03 56.35 1pls h ASP 90 Cb 0.71 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.68 1pls h ASP 90 CO 0.01 0.00 -1.57 0.00 -1.61 0.00 0.00 179.24 176.07 1pls h ALA 91 N 2.00 0.61 0.06 -0.78 0.00 -1.47 -2.49 119.26 117.20 1pls h ALA 91 Ca 0.00 -1.31 -0.24 0.00 0.00 0.00 0.00 54.91 53.36 1pls h ALA 91 Cb 0.42 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1pls h ALA 91 CO 0.00 1.45 -1.11 -1.49 0.00 0.00 0.00 179.25 178.10 1pls h TRP 92 N 0.01 0.23 0.11 0.00 4.06 -0.74 -2.44 115.95 117.18 1pls h TRP 92 Ca -0.23 -0.17 -0.29 0.00 2.06 0.00 0.00 58.89 60.26 1pls h TRP 92 Cb 1.97 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 30.11 1pls h TRP 92 CO 0.01 1.13 -1.39 -0.24 -3.56 0.00 0.00 178.44 174.39 1pls h VAL 93 N 0.03 1.31 0.00 1.49 3.04 -1.35 -1.69 116.25 119.09 1pls h VAL 93 Ca -0.07 -2.94 -0.09 0.00 -1.01 0.00 0.00 66.70 62.60 1pls h VAL 93 Cb 1.86 2.83 -0.01 0.00 -2.01 0.00 0.00 31.29 33.95 1pls h VAL 93 CO 0.16 0.84 -0.41 0.08 -1.01 0.00 0.00 177.57 177.24 1pls h ARG 94 N 0.06 0.00 0.02 4.17 0.11 -1.53 -1.39 114.38 115.83 1pls h ARG 94 Ca -0.19 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.74 1pls h ARG 94 Cb 1.98 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 33.05 1pls h ARG 94 CO 0.17 0.41 -0.79 0.22 0.10 0.00 0.00 179.97 180.08 1pls h ASP 95 N 0.00 0.06 -0.75 0.08 1.82 -1.48 -1.75 116.42 114.41 1pls h ASP 95 Ca -0.00 -0.75 -0.02 0.00 -0.39 0.00 0.00 57.03 55.87 1pls h ASP 95 Cb 0.99 -0.02 -0.04 0.00 0.68 0.00 0.00 39.33 40.95 1pls h ASP 95 CO 0.05 1.32 0.40 0.40 -1.61 0.00 0.00 179.24 179.81 1pls h ILE 96 N -0.89 1.23 0.08 2.25 2.04 -1.36 -0.75 117.51 120.11 1pls h ILE 96 Ca -0.21 -0.59 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 1pls h ILE 96 Cb 1.26 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1pls h ILE 96 CO -0.09 0.26 -0.04 -1.13 0.00 0.00 0.00 178.15 177.15 1pls h ASN 97 N 1.07 -0.09 -1.50 1.72 -0.73 -1.38 -2.61 115.58 112.05 1pls h ASN 97 Ca 0.27 0.00 0.45 0.00 1.87 0.00 0.00 56.30 58.90 1pls h ASN 97 Cb 0.05 0.02 -0.09 0.00 0.27 0.00 0.00 38.32 38.57 1pls h ASN 97 CO -0.04 0.09 1.04 0.50 -0.37 0.00 0.00 177.43 178.65 1pls h LYS 98 N -0.43 0.06 -0.12 6.67 3.64 -1.36 0.80 116.57 125.83 1pls h LYS 98 Ca -0.01 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1pls h LYS 98 Cb 0.09 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1pls h LYS 98 CO 0.02 0.04 -0.10 0.00 -2.27 0.00 0.00 179.45 177.13 1pls h ALA 99 N 1.36 0.17 0.50 5.00 0.00 -1.17 -0.61 119.26 124.51 1pls h ALA 99 Ca 0.80 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 55.39 1pls h ALA 99 Cb 2.86 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 20.61 1pls h ALA 99 CO -0.19 0.01 -0.28 0.82 0.00 0.00 0.00 179.25 179.61 1pls h ILE 100 N -0.11 0.43 0.00 0.00 5.03 0.98 -0.05 117.51 123.79 1pls h ILE 100 Ca 0.02 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.76 1pls h ILE 100 Cb 0.61 0.43 0.00 0.00 -3.03 0.00 0.00 36.82 34.83 1pls h ILE 100 CO 0.03 0.00 0.00 0.29 -0.68 0.00 0.00 178.15 177.79 1pls n LYS 101 N -5.42 0.09 0.03 2.37 5.02 -0.54 -1.42 118.16 118.29 1pls n LYS 101 Ca -0.12 0.49 -0.11 0.00 -2.02 0.00 0.00 58.31 56.55 1pls n LYS 101 Cb 0.32 -1.74 -0.14 0.00 -0.02 0.00 0.00 35.03 33.45 1pls n LYS 101 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pls h ILE 103 N 0.03 1.64 0.00 0.00 2.04 0.11 -1.62 117.51 119.71 1pls h ILE 103 Ca -0.21 -3.10 0.00 0.00 1.00 0.00 0.00 64.86 62.55 1pls h ILE 103 Cb 1.95 2.69 0.00 0.00 -0.74 0.00 0.00 36.82 40.73 1pls h ILE 103 CO 0.12 0.89 0.00 -0.62 0.00 0.00 0.00 178.15 178.54 1pls n GLU 104 N -3.47 0.30 -0.13 2.37 -0.58 -0.90 -2.57 120.64 115.66 1pls n GLU 104 Ca -0.01 0.09 0.02 0.00 -0.42 0.00 0.00 57.16 56.84 1pls n GLU 104 Cb 0.87 -1.50 0.02 0.00 -0.57 0.00 0.00 31.44 30.27 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 0.38 0.61 2.71 0.62 0.00 -1.12 -4.85 105.19 103.53 1pls n GLY 105 Ca 0.10 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 7.20 -4.45 0.99 4.77 -0.62 -5.02 117.00 119.50 1pls n LEU 106 Ca 0.03 -5.30 -0.48 0.00 -0.03 0.00 0.00 56.01 50.23 1pls n LEU 106 Cb 0.51 -1.10 -0.03 0.00 -2.33 0.00 0.00 43.42 40.46 1pls n LEU 106 CO 0.00 2.01 0.16 -0.62 -1.33 0.00 0.00 177.39 177.61 1pls n GLU 107 N -0.17 0.33 0.00 3.23 1.02 -1.26 -4.92 120.64 118.86 1pls n GLU 107 Ca 0.47 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.73 1pls n GLU 107 Cb 0.27 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 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 0.13 -2.67 -3.88 -0.32 8.25 -1.26 -4.18 115.22 111.29 1pls n HIS 108 Ca 0.16 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.36 1pls n HIS 108 Cb 0.26 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.38 1pls n HIS 108 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1pls n HIS 109 N -2.59 -1.89 -2.80 4.41 -0.00 -1.26 -4.89 115.22 106.20 1pls n HIS 109 Ca 0.00 0.82 -0.10 0.00 -0.00 0.00 0.00 57.72 58.44 1pls n HIS 109 Cb 0.00 -3.96 0.07 0.00 -0.00 0.00 0.00 29.99 26.10 1pls n HIS 109 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1pls n HIS 110 N -4.41 -2.49 -1.36 4.41 -0.00 -1.26 -5.13 115.22 104.97 1pls n HIS 110 Ca -0.20 -2.33 0.15 0.00 -0.00 0.00 0.00 57.72 55.34 1pls n HIS 110 Cb 0.63 1.33 -0.04 0.00 -0.00 0.00 0.00 29.99 31.91 1pls n HIS 110 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1pls n HIS 111 N 0.53 -3.22 -0.30 4.41 8.25 -1.26 -4.69 115.22 118.94 1pls n HIS 111 Ca 0.09 1.34 0.00 0.00 -0.26 0.00 0.00 57.72 58.89 1pls n HIS 111 Cb 0.68 -2.47 0.00 0.00 1.12 0.00 0.00 29.99 29.32 1pls n HIS 111 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1pls n HIS 112 N -3.45 0.00 -1.30 4.41 -0.00 -1.26 -5.05 115.22 108.57 1pls n HIS 112 Ca 0.01 -0.12 0.00 0.00 0.46 0.00 0.00 57.72 58.07 1pls n HIS 112 Cb 0.49 -0.01 0.00 0.00 -0.12 0.00 0.00 29.99 30.35 1pls n HIS 112 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41