#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l1p n SER 2 N 0.00 -5.51 -4.89 1.61 7.64 -1.26 -4.98 113.62 106.23 1l1p n SER 2 Ca 0.00 0.05 -0.29 0.00 1.01 0.00 0.00 58.87 59.64 1l1p n SER 2 Cb 0.00 -4.58 0.04 0.00 -1.01 0.00 0.00 64.21 58.66 1l1p n SER 2 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 1l1p s HIS 3 N -2.93 3.36 0.00 1.43 0.00 -1.26 -4.98 115.29 110.91 1l1p s HIS 3 Ca 0.00 1.00 0.00 0.00 -3.00 0.00 0.00 55.06 53.06 1l1p s HIS 3 Cb 0.00 -2.93 0.00 0.00 -4.00 0.00 0.00 32.58 25.65 1l1p s HIS 3 CO 0.00 -1.01 0.00 0.00 -1.00 0.00 0.00 174.74 172.73 1l1p n MET 4 N -2.87 0.00 -3.47 -0.38 -0.00 -1.26 -5.09 117.12 104.06 1l1p n MET 4 Ca 0.06 0.00 -0.39 0.00 -0.00 0.00 0.00 57.70 57.38 1l1p n MET 4 Cb 0.57 -0.03 -0.10 0.00 -0.00 0.00 0.00 33.22 33.66 1l1p n MET 4 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1l1p s GLN 5 N -1.83 4.00 0.77 3.17 -0.21 -1.26 -5.06 119.66 119.24 1l1p s GLN 5 Ca 0.00 -0.08 -0.14 0.00 0.02 0.00 0.00 55.36 55.15 1l1p s GLN 5 Cb 0.00 -3.65 0.06 0.00 1.00 0.00 0.00 33.01 30.42 1l1p s GLN 5 CO 0.00 -0.22 1.17 0.00 -2.12 0.00 0.00 175.29 174.12 1l1p n ALA 6 N 5.16 0.11 -2.60 6.09 0.00 -1.26 -5.02 120.51 123.00 1l1p n ALA 6 Ca -0.10 -0.26 -0.33 0.00 0.00 0.00 0.00 53.44 52.75 1l1p n ALA 6 Cb 0.51 -2.24 -0.11 0.00 0.00 0.00 0.00 19.45 17.62 1l1p n ALA 6 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1l1p s THR 7 N -1.95 3.70 0.14 0.00 2.01 -1.26 -5.12 115.64 113.15 1l1p s THR 7 Ca 0.75 -0.66 -0.06 0.00 0.31 0.00 0.00 61.69 62.03 1l1p s THR 7 Cb -0.31 -2.58 -0.02 0.00 0.01 0.00 0.00 72.50 69.60 1l1p s THR 7 CO 0.49 0.46 0.18 0.26 -0.69 0.00 0.00 174.62 175.32 1l1p s TRP 8 N -0.94 0.54 0.00 4.92 0.52 -1.26 -4.88 118.94 117.84 1l1p s TRP 8 Ca 0.16 -0.92 0.11 0.00 0.02 0.00 0.00 56.10 55.47 1l1p s TRP 8 Cb -0.11 -0.22 0.19 0.00 -1.15 0.00 0.00 33.47 32.18 1l1p s TRP 8 CO 0.06 -0.62 1.01 0.36 0.02 0.00 0.00 176.95 177.78 1l1p n LYS 9 N -0.14 0.00 -1.92 4.98 -0.00 -1.26 -5.04 118.16 114.78 1l1p n LYS 9 Ca -0.08 -1.31 -0.41 0.00 -0.00 0.00 0.00 58.31 56.51 1l1p n LYS 9 Cb 0.63 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.65 1l1p n LYS 9 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1l1p s GLU 10 N 0.00 4.21 0.00 -1.58 1.03 -1.23 -4.75 118.70 116.38 1l1p s GLU 10 Ca 0.15 2.42 0.00 0.00 0.03 0.00 0.00 54.97 57.57 1l1p s GLU 10 Cb 0.17 -3.05 0.00 0.00 -0.80 0.00 0.00 34.13 30.44 1l1p s GLU 10 CO -0.07 -0.48 0.00 0.36 -1.33 0.00 0.00 175.26 173.74 1l1p n LYS 11 N 1.79 2.13 -0.40 -4.83 2.85 -1.19 -4.68 118.16 113.83 1l1p n LYS 11 Ca 0.05 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.36 1l1p n LYS 11 Cb 0.39 0.00 0.06 0.00 -0.65 0.00 0.00 35.03 34.84 1l1p n LYS 11 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1l1p n ASP 12 N 0.00 1.00 -0.41 -5.58 9.92 -1.26 -4.37 116.55 115.85 1l1p n ASP 12 Ca 0.00 -2.48 0.00 0.00 -0.53 0.00 0.00 54.79 51.78 1l1p n ASP 12 Cb 0.00 -0.30 0.00 0.00 -0.64 0.00 0.00 41.12 40.18 1l1p n ASP 12 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1l1p n GLY 13 N -0.55 2.15 0.01 0.44 0.00 -1.26 -5.00 105.19 100.97 1l1p n GLY 13 Ca 0.07 -2.06 -0.00 0.00 0.00 0.00 0.00 46.02 44.03 1l1p n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l1p n ALA 14 N -3.00 -0.01 -1.77 4.61 0.00 -1.26 -4.19 120.51 114.89 1l1p n ALA 14 Ca 0.00 -0.01 -0.36 0.00 0.00 0.00 0.00 53.44 53.07 1l1p n ALA 14 Cb 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1l1p n ALA 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1l1p s VAL 15 N -1.01 2.91 0.17 0.00 0.11 0.17 -4.52 120.40 118.24 1l1p s VAL 15 Ca 0.00 0.62 0.01 0.00 -2.93 0.00 0.00 61.98 59.68 1l1p s VAL 15 Cb -0.00 -3.28 -0.04 0.00 -1.53 0.00 0.00 36.38 31.53 1l1p s VAL 15 CO 0.00 -0.07 0.02 -1.61 -3.33 0.00 0.00 175.10 170.11 1l1p s GLU 16 N -3.06 1.08 0.00 1.54 0.41 -1.26 -5.02 118.70 112.40 1l1p s GLU 16 Ca 0.71 -1.53 0.00 0.00 -0.41 0.00 0.00 54.97 53.74 1l1p s GLU 16 Cb -0.29 -0.12 0.00 0.00 -1.78 0.00 0.00 34.13 31.94 1l1p s GLU 16 CO 0.33 -0.18 0.02 0.00 -0.49 0.00 0.00 175.26 174.94 1l1p n ALA 17 N -0.22 0.00 -3.46 5.21 0.00 -1.26 -1.80 120.51 118.98 1l1p n ALA 17 Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.10 1l1p n ALA 17 Cb 0.64 0.01 -0.08 0.00 0.00 0.00 0.00 19.45 20.02 1l1p n ALA 17 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1l1p n GLU 18 N -1.39 2.59 -2.22 0.00 0.00 -1.23 -4.33 120.64 114.06 1l1p n GLU 18 Ca 0.00 -4.64 -0.12 0.00 0.00 0.00 0.00 57.16 52.39 1l1p n GLU 18 Cb 0.00 -2.28 0.05 0.00 0.00 0.00 0.00 31.44 29.20 1l1p n GLU 18 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1l1p n ASP 19 N 1.04 1.30 -3.63 -1.84 9.92 -0.75 -4.40 116.55 118.19 1l1p n ASP 19 Ca 0.28 -1.96 -0.24 0.00 -0.53 0.00 0.00 54.79 52.34 1l1p n ASP 19 Cb 0.40 -0.28 -0.17 0.00 -0.64 0.00 0.00 41.12 40.42 1l1p n ASP 19 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1l1p s ARG 20 N -3.71 0.05 0.43 -1.24 1.81 -1.14 0.21 118.95 115.36 1l1p s ARG 20 Ca 0.39 0.04 0.00 0.00 -1.72 0.00 0.00 55.73 54.44 1l1p s ARG 20 Cb -0.03 -1.46 -0.01 0.00 -0.45 0.00 0.00 34.95 33.00 1l1p s ARG 20 CO 0.25 -0.57 0.64 0.14 -0.68 0.00 0.00 175.30 175.08 1l1p s VAL 21 N 2.13 4.24 -0.27 3.52 -7.23 0.30 -3.40 120.40 119.69 1l1p s VAL 21 Ca 0.03 -0.49 -0.02 0.00 -1.81 0.00 0.00 61.98 59.69 1l1p s VAL 21 Cb -0.15 -3.56 0.03 0.00 0.56 0.00 0.00 36.38 33.26 1l1p s VAL 21 CO -0.07 -0.39 -0.03 -0.89 -0.31 0.00 0.00 175.10 173.41 1l1p s THR 22 N -2.50 2.96 0.11 5.32 2.01 0.19 0.04 115.64 123.76 1l1p s THR 22 Ca 0.47 -1.15 0.07 0.00 0.31 0.00 0.00 61.69 61.38 1l1p s THR 22 Cb -0.10 -2.58 -0.03 0.00 0.01 0.00 0.00 72.50 69.79 1l1p s THR 22 CO 0.37 0.07 -0.16 0.27 -0.69 0.00 0.00 174.62 174.49 1l1p s ILE 23 N 1.30 1.42 -0.13 1.82 -4.36 0.26 -0.69 121.20 120.82 1l1p s ILE 23 Ca -0.02 -1.57 0.02 0.00 -0.26 0.00 0.00 60.65 58.82 1l1p s ILE 23 Cb -0.18 -1.44 0.01 0.00 1.25 0.00 0.00 42.46 42.11 1l1p s ILE 23 CO -0.03 -0.26 -0.18 1.51 0.24 0.00 0.00 174.94 176.23 1l1p s ASP 24 N -2.12 2.80 0.22 4.36 -4.77 -0.89 0.11 116.67 116.36 1l1p s ASP 24 Ca 0.06 -0.53 -0.03 0.00 -3.30 0.00 0.00 52.55 48.76 1l1p s ASP 24 Cb -0.08 -1.27 -0.03 0.00 -1.09 0.00 0.00 42.92 40.45 1l1p s ASP 24 CO 0.03 0.02 0.20 0.72 0.70 0.00 0.00 175.17 176.85 1l1p s PHE 25 N 1.05 1.05 -0.20 2.11 -0.12 0.30 -0.03 117.98 122.14 1l1p s PHE 25 Ca -0.03 -1.28 -0.06 0.00 -0.05 0.00 0.00 56.93 55.51 1l1p s PHE 25 Cb -0.15 -0.43 0.10 0.00 -0.63 0.00 0.00 43.02 41.92 1l1p s PHE 25 CO -0.05 -0.72 0.40 0.99 -0.05 0.00 0.00 175.22 175.79 1l1p s THR 26 N -4.08 -0.63 0.29 -4.49 2.01 -0.23 0.17 115.64 108.68 1l1p s THR 26 Ca 0.36 0.12 -0.18 0.00 0.31 0.00 0.00 61.69 62.30 1l1p s THR 26 Cb 0.05 -0.69 0.02 0.00 0.01 0.00 0.00 72.50 71.90 1l1p s THR 26 CO 0.12 0.03 0.68 -0.83 -0.69 0.00 0.00 174.62 173.93 1l1p s GLY 27 N 2.59 0.12 0.41 4.40 0.00 0.19 -2.47 107.32 112.57 1l1p s GLY 27 Ca 0.02 -0.50 0.07 0.00 0.00 0.00 0.00 44.72 44.31 1l1p s GLY 27 CO -0.13 -0.24 0.28 -1.35 0.00 0.00 0.00 173.10 171.66 1l1p s SER 28 N -2.97 4.73 0.00 1.64 1.04 -0.47 -4.00 113.70 113.67 1l1p s SER 28 Ca 0.14 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.65 1l1p s SER 28 Cb -0.05 -0.52 0.00 0.00 0.10 0.00 0.00 66.02 65.55 1l1p s SER 28 CO 0.08 -0.60 0.00 0.55 0.98 0.00 0.00 173.24 174.25 1l1p n VAL 29 N -1.39 0.00 -1.08 5.02 3.14 -1.19 0.13 118.33 122.96 1l1p n VAL 29 Ca 0.01 0.13 -0.26 0.00 -2.96 0.00 0.00 64.34 61.26 1l1p n VAL 29 Cb 0.63 -1.03 0.07 0.00 -1.06 0.00 0.00 33.84 32.45 1l1p n VAL 29 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1l1p n ASP 30 N -2.08 6.67 0.00 6.55 2.03 -1.26 -4.63 116.55 123.83 1l1p n ASP 30 Ca 0.00 -3.44 0.00 0.00 0.52 0.00 0.00 54.79 51.87 1l1p n ASP 30 Cb 0.00 -0.98 0.00 0.00 -0.72 0.00 0.00 41.12 39.42 1l1p n ASP 30 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1l1p n GLY 31 N -0.43 1.55 2.84 0.27 0.00 -1.26 -5.02 105.19 103.15 1l1p n GLY 31 Ca 0.48 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.29 1l1p n GLY 31 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1l1p s GLU 32 N -0.81 0.76 0.02 1.61 2.02 -1.26 -4.95 118.70 116.09 1l1p s GLU 32 Ca 0.00 -0.02 -0.32 0.00 0.02 0.00 0.00 54.97 54.65 1l1p s GLU 32 Cb 0.00 -0.92 -0.11 0.00 0.10 0.00 0.00 34.13 33.20 1l1p s GLU 32 CO 0.00 -0.18 1.89 -0.85 0.02 0.00 0.00 175.26 176.13 1l1p n GLU 33 N 4.54 2.56 0.00 1.61 0.28 -1.26 -3.17 120.64 125.19 1l1p n GLU 33 Ca -0.17 0.94 0.00 0.00 -0.16 0.00 0.00 57.16 57.76 1l1p n GLU 33 Cb 0.50 -2.83 0.00 0.00 1.43 0.00 0.00 31.44 30.55 1l1p n GLU 33 CO 0.00 0.00 0.00 1.97 -0.16 0.00 0.00 177.13 178.94 1l1p n PHE 34 N 6.51 0.00 0.16 -1.84 -1.74 -1.26 -4.76 117.46 114.53 1l1p n PHE 34 Ca 0.20 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.98 1l1p n PHE 34 Cb 0.35 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.29 1l1p n PHE 34 CO 0.00 0.00 0.00 0.93 -0.56 0.00 0.00 176.76 177.13 1l1p h GLU 35 N 0.00 -0.45 -0.11 3.97 4.39 -1.96 -3.17 114.58 117.25 1l1p h GLU 35 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1l1p h GLU 35 Cb 0.00 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1l1p h GLU 35 CO 0.00 -0.14 0.00 0.41 -1.16 0.00 0.00 179.01 178.12 1l1p n GLY 36 N 0.13 -0.72 0.00 -3.84 0.00 -1.26 -4.09 105.19 95.41 1l1p n GLY 36 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1l1p n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1l1p n GLY 37 N 0.44 -0.39 3.23 -0.02 0.00 -1.20 -4.31 105.19 102.94 1l1p n GLY 37 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1l1p n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1l1p s LYS 38 N -2.78 0.32 0.02 1.61 0.00 -1.26 0.55 119.74 118.20 1l1p s LYS 38 Ca 0.00 0.93 0.03 0.00 0.00 0.00 0.00 55.97 56.92 1l1p s LYS 38 Cb 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 37.83 38.00 1l1p s LYS 38 CO 0.00 -0.23 -0.09 0.00 0.00 0.00 0.00 175.35 175.03 1l1p s ALA 39 N 2.24 0.71 0.02 0.59 0.00 0.44 -4.97 121.76 120.79 1l1p s ALA 39 Ca -0.04 -0.59 -0.05 0.00 0.00 0.00 0.00 51.96 51.28 1l1p s ALA 39 Cb -0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 1l1p s ALA 39 CO -0.12 0.10 -0.10 0.43 0.00 0.00 0.00 175.76 176.07 1l1p n SER 40 N 2.14 1.35 -3.95 0.00 7.64 -1.26 0.11 113.62 119.65 1l1p n SER 40 Ca -0.18 0.19 -0.41 0.00 1.01 0.00 0.00 58.87 59.49 1l1p n SER 40 Cb 0.56 -0.45 -0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1l1p n SER 40 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1l1p n ASP 41 N -3.77 5.96 -4.45 6.43 8.00 -1.26 -2.58 116.55 124.88 1l1p n ASP 41 Ca -0.04 -3.39 -0.44 0.00 0.71 0.00 0.00 54.79 51.63 1l1p n ASP 41 Cb 0.16 -1.19 -0.05 0.00 -0.02 0.00 0.00 41.12 40.02 1l1p n ASP 41 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1l1p s PHE 42 N -2.64 2.97 -0.79 1.24 5.36 0.29 -4.87 117.98 119.54 1l1p s PHE 42 Ca 0.32 -0.48 -0.26 0.00 -0.96 0.00 0.00 56.93 55.55 1l1p s PHE 42 Cb 0.05 -3.75 0.03 0.00 -0.34 0.00 0.00 43.02 39.02 1l1p s PHE 42 CO 0.07 -1.17 1.33 0.54 -1.46 0.00 0.00 175.22 174.54 1l1p s VAL 43 N 2.99 3.75 0.02 3.12 0.11 -1.26 -0.58 120.40 128.55 1l1p s VAL 43 Ca 0.18 0.18 -0.19 0.00 -2.93 0.00 0.00 61.98 59.22 1l1p s VAL 43 Cb -0.18 -4.92 -0.06 0.00 -1.53 0.00 0.00 36.38 29.69 1l1p s VAL 43 CO 0.13 -1.85 0.55 -0.22 -3.33 0.00 0.00 175.10 170.38 1l1p s LEU 44 N 5.70 4.46 -0.47 2.54 0.20 0.11 -4.88 118.68 126.34 1l1p s LEU 44 Ca 0.38 1.14 -0.14 0.00 0.69 0.00 0.00 54.13 56.20 1l1p s LEU 44 Cb -0.07 -2.84 0.08 0.00 -0.43 0.00 0.00 46.19 42.93 1l1p s LEU 44 CO 0.10 0.19 0.38 0.00 -0.29 0.00 0.00 176.35 176.73 1l1p s ALA 45 N -0.60 3.52 -1.17 5.97 0.00 -1.26 0.11 121.76 128.32 1l1p s ALA 45 Ca 0.29 -2.14 -0.23 0.00 0.00 0.00 0.00 51.96 49.88 1l1p s ALA 45 Cb -0.18 -3.01 -0.09 0.00 0.00 0.00 0.00 23.12 19.84 1l1p s ALA 45 CO 0.17 -1.73 1.94 -1.64 0.00 0.00 0.00 175.76 174.50 1l1p s MET 46 N 1.60 2.46 0.00 0.00 -1.94 0.56 -3.51 119.30 118.47 1l1p s MET 46 Ca 0.04 -1.11 0.00 0.00 -1.71 0.00 0.00 55.69 52.90 1l1p s MET 46 Cb -0.24 -5.23 0.00 0.00 2.01 0.00 0.00 34.83 31.37 1l1p s MET 46 CO 0.06 -4.01 0.00 0.41 -0.01 0.00 0.00 175.02 171.47 1l1p n GLY 47 N 5.85 0.85 1.12 -0.03 0.00 -1.26 -2.49 105.19 109.23 1l1p n GLY 47 Ca 0.45 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1l1p n GLY 47 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1l1p n GLN 48 N 0.00 0.00 -0.12 1.61 7.27 -1.23 -4.63 117.38 120.28 1l1p n GLN 48 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 56.85 1l1p n GLN 48 Cb 0.00 -0.24 -0.08 0.00 2.41 0.00 0.00 30.24 32.34 1l1p n GLN 48 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1l1p n GLY 49 N 3.30 -0.49 0.00 1.69 0.00 -1.26 -4.99 105.19 103.44 1l1p n GLY 49 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1l1p n GLY 49 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1l1p n ARG 50 N -4.33 0.00 -1.39 1.61 1.85 -1.26 -5.11 116.66 108.02 1l1p n ARG 50 Ca -0.40 0.00 -0.57 0.00 -1.00 0.00 0.00 57.85 55.88 1l1p n ARG 50 Cb 0.75 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 32.07 1l1p n ARG 50 CO 0.00 0.00 0.00 -0.12 -0.01 0.00 0.00 177.63 177.50 1l1p n MET 51 N 0.00 0.49 -1.55 2.89 1.56 -1.26 -4.89 117.12 114.36 1l1p n MET 51 Ca 0.00 0.14 -0.33 0.00 -0.27 0.00 0.00 57.70 57.25 1l1p n MET 51 Cb 0.00 -1.90 0.07 0.00 2.15 0.00 0.00 33.22 33.54 1l1p n MET 51 CO 0.00 0.00 0.00 0.96 -0.73 0.00 0.00 175.97 176.20 1l1p s ILE 52 N 6.05 3.11 0.61 1.12 -4.36 -1.26 -4.69 121.20 121.78 1l1p s ILE 52 Ca 1.13 0.47 0.29 0.00 -0.26 0.00 0.00 60.65 62.29 1l1p s ILE 52 Cb -1.23 -2.97 0.36 0.00 1.25 0.00 0.00 42.46 39.87 1l1p s ILE 52 CO 0.61 -0.36 1.95 -0.65 0.24 0.00 0.00 174.94 176.73 1l1p h PRO 53 N -0.37 0.00 0.70 0.37 0.11 -1.93 0.04 132.00 130.93 1l1p h PRO 53 Ca -0.46 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1l1p h PRO 53 Cb 1.25 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.37 1l1p h PRO 53 CO 0.52 0.00 -0.34 0.78 -0.21 0.00 0.00 178.00 178.76 1l1p h GLY 54 N 0.00 -0.99 0.62 -0.55 0.00 -1.90 -2.43 103.07 97.82 1l1p h GLY 54 Ca 0.14 0.37 -0.05 0.00 0.00 0.00 0.00 47.33 47.78 1l1p h GLY 54 CO -0.00 -0.36 -0.15 0.74 0.00 0.00 0.00 176.54 176.77 1l1p h PHE 55 N -1.17 0.29 -0.38 5.60 0.04 -1.62 -2.98 116.94 116.73 1l1p h PHE 55 Ca -0.10 -0.11 0.11 0.00 2.80 0.00 0.00 57.97 60.68 1l1p h PHE 55 Cb 0.72 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.81 1l1p h PHE 55 CO 0.02 0.75 0.58 1.49 -0.60 0.00 0.00 178.31 180.54 1l1p h GLU 56 N -0.24 0.00 0.00 1.51 4.81 -1.12 0.19 114.58 119.72 1l1p h GLU 56 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1l1p h GLU 56 Cb 0.73 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.11 1l1p h GLU 56 CO 0.03 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.06 1l1p n ASP 57 N -3.36 0.00 0.21 1.04 8.00 -0.91 -3.57 116.55 117.96 1l1p n ASP 57 Ca 0.07 0.09 -0.15 0.00 0.71 0.00 0.00 54.79 55.51 1l1p n ASP 57 Cb 0.73 -0.05 -0.08 0.00 -0.02 0.00 0.00 41.12 41.70 1l1p n ASP 57 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1l1p h GLY 58 N 0.00 -0.51 -2.94 0.44 0.00 -1.48 -2.84 103.07 95.74 1l1p h GLY 58 Ca 0.00 0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.45 1l1p h GLY 58 CO 0.00 -0.19 0.09 1.39 0.00 0.00 0.00 176.54 177.83 1l1p n ILE 59 N -5.26 2.00 -0.13 2.60 -0.00 0.64 -4.33 119.36 114.89 1l1p n ILE 59 Ca -0.10 -0.66 -0.05 0.00 -0.00 0.00 0.00 62.75 61.94 1l1p n ILE 59 Cb 0.24 -1.37 0.01 0.00 -0.00 0.00 0.00 39.64 38.52 1l1p n ILE 59 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.55 176.62 1l1p h LYS 60 N 0.92 -0.13 0.00 0.38 2.10 -1.47 -3.43 116.57 114.95 1l1p h LYS 60 Ca 0.07 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 1l1p h LYS 60 Cb 1.02 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.38 1l1p h LYS 60 CO 0.16 -0.08 0.00 0.41 -2.00 0.00 0.00 179.45 177.94 1l1p n GLY 61 N -1.39 0.91 0.00 0.07 0.00 -1.26 -4.81 105.19 98.72 1l1p n GLY 61 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1l1p n GLY 61 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1l1p n HIS 62 N 0.00 0.00 -3.32 1.61 1.44 -1.26 0.42 115.22 114.10 1l1p n HIS 62 Ca 0.00 -0.38 -0.22 0.00 -2.01 0.00 0.00 57.72 55.10 1l1p n HIS 62 Cb 0.00 -0.04 -0.09 0.00 0.12 0.00 0.00 29.99 29.99 1l1p n HIS 62 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1l1p s LYS 63 N -0.77 0.79 -0.66 -1.40 -0.14 -1.26 -5.01 119.74 111.29 1l1p s LYS 63 Ca 0.00 -1.54 -0.26 0.00 -1.36 0.00 0.00 55.97 52.81 1l1p s LYS 63 Cb 0.00 -1.06 -0.11 0.00 -1.68 0.00 0.00 37.83 34.98 1l1p s LYS 63 CO 0.00 -1.30 2.39 0.00 -0.76 0.00 0.00 175.35 175.68 1l1p s ALA 64 N 0.68 1.12 0.00 5.17 0.00 -1.26 -1.98 121.76 125.50 1l1p s ALA 64 Ca 0.26 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.75 1l1p s ALA 64 Cb -0.07 -4.48 0.00 0.00 0.00 0.00 0.00 23.12 18.58 1l1p s ALA 64 CO -0.10 -5.26 0.00 0.41 0.00 0.00 0.00 175.76 170.81 1l1p n GLY 65 N 6.46 1.37 3.99 0.00 0.00 0.23 -4.81 105.19 112.42 1l1p n GLY 65 Ca 0.42 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.25 1l1p n GLY 65 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1l1p s GLU 66 N -0.30 3.03 -0.23 1.61 2.56 0.99 -4.84 118.70 121.52 1l1p s GLU 66 Ca 0.00 -0.97 -0.02 0.00 0.00 0.00 0.00 54.97 53.98 1l1p s GLU 66 Cb 0.00 -2.76 0.07 0.00 2.00 0.00 0.00 34.13 33.44 1l1p s GLU 66 CO 0.00 -0.08 0.03 -1.21 -0.56 0.00 0.00 175.26 173.44 1l1p s GLU 67 N -4.28 0.87 0.16 4.30 2.02 -1.26 0.14 118.70 120.64 1l1p s GLU 67 Ca 0.48 -0.68 -0.02 0.00 0.02 0.00 0.00 54.97 54.76 1l1p s GLU 67 Cb -0.10 -2.19 -0.04 0.00 0.10 0.00 0.00 34.13 31.91 1l1p s GLU 67 CO 0.33 -0.71 0.12 -0.59 0.02 0.00 0.00 175.26 174.42 1l1p s PHE 68 N 1.71 0.91 -0.09 1.61 -0.12 0.45 -4.95 117.98 117.50 1l1p s PHE 68 Ca 0.00 -1.23 0.02 0.00 -0.05 0.00 0.00 56.93 55.68 1l1p s PHE 68 Cb -0.17 -0.45 0.01 0.00 -0.63 0.00 0.00 43.02 41.78 1l1p s PHE 68 CO -0.11 -0.60 -0.15 0.99 -0.05 0.00 0.00 175.22 175.30 1l1p s THR 69 N -4.08 1.39 0.24 -4.49 2.01 -1.26 0.16 115.64 109.62 1l1p s THR 69 Ca 0.29 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.70 1l1p s THR 69 Cb 0.07 -1.26 -0.05 0.00 0.01 0.00 0.00 72.50 71.26 1l1p s THR 69 CO 0.05 0.42 0.07 0.27 -0.69 0.00 0.00 174.62 174.74 1l1p s ILE 70 N 0.78 0.63 0.17 1.82 -0.00 -0.26 -4.93 121.20 119.41 1l1p s ILE 70 Ca -0.12 -2.00 -0.06 0.00 -0.00 0.00 0.00 60.65 58.48 1l1p s ILE 70 Cb -0.16 -2.52 -0.06 0.00 -0.00 0.00 0.00 42.46 39.72 1l1p s ILE 70 CO 0.02 -0.12 0.43 -1.81 -0.00 0.00 0.00 174.94 173.47 1l1p s ASP 71 N -3.29 6.53 -0.10 4.36 1.11 -1.26 -1.80 116.67 122.22 1l1p s ASP 71 Ca 0.34 0.69 -0.05 0.00 0.18 0.00 0.00 52.55 53.71 1l1p s ASP 71 Cb 0.07 -2.13 0.04 0.00 1.07 0.00 0.00 42.92 41.98 1l1p s ASP 71 CO 0.11 0.01 0.23 0.68 1.18 0.00 0.00 175.17 177.38 1l1p s VAL 72 N -1.72 -0.04 -0.16 -1.27 -7.23 -0.57 -3.80 120.40 105.60 1l1p s VAL 72 Ca 0.43 0.13 -0.06 0.00 -1.81 0.00 0.00 61.98 60.67 1l1p s VAL 72 Cb -0.12 -0.35 0.08 0.00 0.56 0.00 0.00 36.38 36.54 1l1p s VAL 72 CO 0.24 0.05 0.35 -0.89 -0.31 0.00 0.00 175.10 174.54 1l1p s THR 73 N 1.11 -0.49 -0.04 5.32 2.01 -1.26 0.77 115.64 123.05 1l1p s THR 73 Ca -0.08 0.21 -0.24 0.00 0.31 0.00 0.00 61.69 61.89 1l1p s THR 73 Cb -0.09 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.82 1l1p s THR 73 CO -0.07 0.09 0.73 -0.36 -0.69 0.00 0.00 174.62 174.32 1l1p s PHE 74 N 2.41 3.61 1.17 4.92 0.40 -1.19 -4.91 117.98 124.39 1l1p s PHE 74 Ca -0.01 1.32 -0.17 0.00 -0.60 0.00 0.00 56.93 57.47 1l1p s PHE 74 Cb -0.12 -2.83 0.27 0.00 0.51 0.00 0.00 43.02 40.85 1l1p s PHE 74 CO -0.11 0.11 1.07 -1.25 0.70 0.00 0.00 175.22 175.74 1l1p s PRO 75 N 0.68 -0.98 0.22 0.24 0.04 -1.26 -4.09 135.00 129.85 1l1p s PRO 75 Ca 0.39 0.22 0.23 0.00 0.04 0.00 0.00 61.00 61.88 1l1p s PRO 75 Cb -0.18 -1.60 0.93 0.00 0.04 0.00 0.00 34.50 33.68 1l1p s PRO 75 CO 0.20 -3.61 1.69 0.39 0.04 0.00 0.00 177.00 175.70 1l1p n GLU 76 N -4.74 0.17 0.02 4.56 4.71 -1.26 -2.72 120.64 121.38 1l1p n GLU 76 Ca 0.09 0.38 -0.12 0.00 -0.01 0.00 0.00 57.16 57.51 1l1p n GLU 76 Cb 0.58 -1.81 -0.14 0.00 -1.01 0.00 0.00 31.44 29.06 1l1p n GLU 76 CO 0.00 0.00 0.00 1.05 0.09 0.00 0.00 177.13 178.27 1l1p h GLU 77 N 0.00 0.09 0.01 3.49 9.09 -2.03 -3.40 114.58 121.82 1l1p h GLU 77 Ca 0.00 -0.15 -0.00 0.00 0.05 0.00 0.00 59.36 59.26 1l1p h GLU 77 Cb 0.38 0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.53 1l1p h GLU 77 CO 0.00 0.81 -0.00 -0.92 0.05 0.00 0.00 179.01 178.95 1l1p h TYR 78 N 0.02 -0.01 -6.35 2.06 5.03 -1.86 -3.48 116.97 112.39 1l1p h TYR 78 Ca -0.24 -0.00 -0.40 0.00 2.58 0.00 0.00 58.73 60.67 1l1p h TYR 78 Cb 1.97 0.00 0.01 0.00 1.55 0.00 0.00 36.73 40.26 1l1p h TYR 78 CO 0.02 -0.00 -1.01 0.72 -1.32 0.00 0.00 178.16 176.57 1l1p n HIS 79 N -2.03 -1.97 -2.81 -3.82 8.25 -1.22 -4.92 115.22 106.70 1l1p n HIS 79 Ca -0.00 0.82 -0.34 0.00 -0.26 0.00 0.00 57.72 57.94 1l1p n HIS 79 Cb 0.00 -2.07 -0.07 0.00 1.12 0.00 0.00 29.99 28.98 1l1p n HIS 79 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1l1p s ALA 80 N -2.28 3.10 0.56 -1.41 0.00 -1.26 -4.65 121.76 115.81 1l1p s ALA 80 Ca 0.12 0.43 0.28 0.00 0.00 0.00 0.00 51.96 52.79 1l1p s ALA 80 Cb -0.01 -3.16 1.48 0.00 0.00 0.00 0.00 23.12 21.43 1l1p s ALA 80 CO 0.78 0.15 1.97 1.49 0.00 0.00 0.00 175.76 180.15 1l1p h GLU 81 N 2.30 0.00 0.04 0.00 4.81 -1.97 1.41 114.58 121.17 1l1p h GLU 81 Ca -0.48 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.38 1l1p h GLU 81 Cb 1.18 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.51 1l1p h GLU 81 CO 0.62 0.00 -2.18 0.27 -0.73 0.00 0.00 179.01 176.99 1l1p n ASN 82 N -4.04 1.54 -0.36 1.04 6.94 -1.26 -4.68 115.26 114.44 1l1p n ASN 82 Ca 0.08 0.09 0.03 0.00 -0.02 0.00 0.00 54.58 54.76 1l1p n ASN 82 Cb 0.60 -0.28 0.04 0.00 -2.36 0.00 0.00 39.78 37.78 1l1p n ASN 82 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1l1p n LEU 83 N -3.22 0.66 -2.87 -4.53 -0.00 -1.05 -4.98 117.00 101.02 1l1p n LEU 83 Ca -0.35 -1.55 -0.40 0.00 -0.00 0.00 0.00 56.01 53.72 1l1p n LEU 83 Cb 1.05 -0.12 -0.06 0.00 -0.00 0.00 0.00 43.42 44.29 1l1p n LEU 83 CO 0.37 0.37 0.55 2.29 -0.00 0.00 0.00 177.39 180.97 1l1p n LYS 84 N -0.40 0.00 -3.83 1.47 2.85 0.48 -1.47 118.16 117.27 1l1p n LYS 84 Ca 0.04 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 57.01 1l1p n LYS 84 Cb 0.67 -0.93 0.01 0.00 -0.65 0.00 0.00 35.03 34.14 1l1p n LYS 84 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1l1p n GLY 85 N 1.78 -0.63 3.34 2.58 0.00 -1.26 -4.77 105.19 106.22 1l1p n GLY 85 Ca 0.16 0.31 -0.47 0.00 0.00 0.00 0.00 46.02 46.02 1l1p n GLY 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1l1p s LYS 86 N -6.33 3.59 -0.81 1.61 2.47 -0.54 -4.82 119.74 114.91 1l1p s LYS 86 Ca 0.26 -2.39 -0.26 0.00 -1.56 0.00 0.00 55.97 52.03 1l1p s LYS 86 Cb -0.10 -4.46 0.02 0.00 -1.46 0.00 0.00 37.83 31.83 1l1p s LYS 86 CO 0.88 -1.33 1.47 0.00 0.16 0.00 0.00 175.35 176.53 1l1p s ALA 87 N 0.39 2.56 0.07 3.13 0.00 -1.26 -3.16 121.76 123.49 1l1p s ALA 87 Ca 0.19 -1.53 0.01 0.00 0.00 0.00 0.00 51.96 50.63 1l1p s ALA 87 Cb -0.10 -4.37 -0.00 0.00 0.00 0.00 0.00 23.12 18.65 1l1p s ALA 87 CO -0.09 -3.60 0.04 0.00 0.00 0.00 0.00 175.76 172.12 1l1p n ALA 88 N 10.12 0.12 -2.52 0.00 0.00 0.23 -4.55 120.51 123.91 1l1p n ALA 88 Ca 0.17 -0.37 -0.26 0.00 0.00 0.00 0.00 53.44 52.98 1l1p n ALA 88 Cb 0.50 0.28 -0.15 0.00 0.00 0.00 0.00 19.45 20.07 1l1p n ALA 88 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1l1p s LYS 89 N -2.27 1.54 0.06 0.00 1.02 0.35 -1.52 119.74 118.92 1l1p s LYS 89 Ca 0.06 -0.66 0.01 0.00 0.02 0.00 0.00 55.97 55.40 1l1p s LYS 89 Cb 0.00 -1.46 -0.03 0.00 -0.52 0.00 0.00 37.83 35.82 1l1p s LYS 89 CO 0.04 0.38 -0.06 -0.06 -0.92 0.00 0.00 175.35 174.73 1l1p s PHE 90 N -0.38 0.67 -0.30 3.18 0.08 -0.74 -1.37 117.98 119.12 1l1p s PHE 90 Ca 0.06 -0.70 0.02 0.00 0.12 0.00 0.00 56.93 56.42 1l1p s PHE 90 Cb -0.08 -0.41 0.09 0.00 -0.57 0.00 0.00 43.02 42.05 1l1p s PHE 90 CO -0.00 -0.15 0.02 0.00 -0.10 0.00 0.00 175.22 174.99 1l1p s ALA 91 N -2.41 2.24 0.32 5.36 0.00 -1.03 -1.10 121.76 125.15 1l1p s ALA 91 Ca -0.02 -1.92 0.07 0.00 0.00 0.00 0.00 51.96 50.09 1l1p s ALA 91 Cb -0.03 -1.70 -0.02 0.00 0.00 0.00 0.00 23.12 21.37 1l1p s ALA 91 CO -0.03 -1.51 0.36 0.42 0.00 0.00 0.00 175.76 175.00 1l1p s ILE 92 N 1.25 3.98 -0.24 0.00 1.01 0.43 -1.07 121.20 126.56 1l1p s ILE 92 Ca 0.05 -1.20 -0.03 0.00 0.00 0.00 0.00 60.65 59.47 1l1p s ILE 92 Cb -0.19 -3.35 0.08 0.00 0.01 0.00 0.00 42.46 39.01 1l1p s ILE 92 CO -0.12 -0.20 0.08 0.20 0.00 0.00 0.00 174.94 174.90 1l1p s ASN 93 N -4.05 3.25 0.67 3.58 0.01 0.95 0.17 114.94 119.52 1l1p s ASN 93 Ca 0.41 -1.10 -0.16 0.00 -0.71 0.00 0.00 52.86 51.30 1l1p s ASN 93 Cb -0.08 -0.56 0.01 0.00 0.41 0.00 0.00 41.25 41.04 1l1p s ASN 93 CO 0.28 -0.37 1.18 -0.22 -1.51 0.00 0.00 177.10 176.46 1l1p s LEU 94 N 1.89 3.43 0.00 0.60 2.96 0.36 -2.10 118.68 125.83 1l1p s LEU 94 Ca 0.04 2.26 0.00 0.00 -0.22 0.00 0.00 54.13 56.22 1l1p s LEU 94 Cb -0.17 -4.58 0.00 0.00 0.50 0.00 0.00 46.19 41.94 1l1p s LEU 94 CO -0.19 -1.90 0.00 0.29 -1.32 0.00 0.00 176.35 173.23 1l1p n LYS 95 N -2.32 0.00 -2.31 1.98 4.76 0.14 -0.01 118.16 120.39 1l1p n LYS 95 Ca 0.13 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.16 1l1p n LYS 95 Cb 0.51 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.67 1l1p n LYS 95 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1l1p s LYS 96 N 1.85 3.12 -0.33 1.97 1.02 -1.20 -3.14 119.74 123.04 1l1p s LYS 96 Ca 0.00 0.43 -0.05 0.00 0.02 0.00 0.00 55.97 56.37 1l1p s LYS 96 Cb 0.00 -4.20 0.05 0.00 -0.52 0.00 0.00 37.83 33.16 1l1p s LYS 96 CO 0.00 -2.16 0.08 0.54 -0.92 0.00 0.00 175.35 172.89 1l1p s VAL 97 N 6.76 3.52 0.39 3.17 0.11 -1.26 0.53 120.40 133.61 1l1p s VAL 97 Ca 0.54 -1.25 0.04 0.00 -2.93 0.00 0.00 61.98 58.38 1l1p s VAL 97 Cb -0.11 -3.02 -0.01 0.00 -1.53 0.00 0.00 36.38 31.70 1l1p s VAL 97 CO 0.23 -0.18 0.14 -0.62 -3.33 0.00 0.00 175.10 171.34 1l1p n GLU 98 N 4.74 0.59 -3.47 1.54 1.02 -1.22 -4.38 120.64 119.46 1l1p n GLU 98 Ca -0.12 -3.27 -0.43 0.00 -0.02 0.00 0.00 57.16 53.31 1l1p n GLU 98 Cb 0.44 1.80 -0.05 0.00 -0.02 0.00 0.00 31.44 33.61 1l1p n GLU 98 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1l1p s GLU 99 N -3.47 3.27 0.79 3.49 2.12 -1.26 -2.88 118.70 120.76 1l1p s GLU 99 Ca 0.20 -2.55 -0.11 0.00 0.36 0.00 0.00 54.97 52.88 1l1p s GLU 99 Cb 0.01 -4.19 0.07 0.00 0.26 0.00 0.00 34.13 30.28 1l1p s GLU 99 CO 0.14 -1.25 1.09 -0.98 -0.54 0.00 0.00 175.26 173.72 1l1p s ARG 100 N -0.02 2.09 -0.35 4.30 1.04 -1.26 -3.18 118.95 121.56 1l1p s ARG 100 Ca 0.18 0.97 -0.06 0.00 -1.04 0.00 0.00 55.73 55.78 1l1p s ARG 100 Cb -0.13 -1.89 0.20 0.00 -2.04 0.00 0.00 34.95 31.09 1l1p s ARG 100 CO -0.07 -1.70 1.05 -2.00 -0.04 0.00 0.00 175.30 172.54 1l1p s GLU 101 N -4.97 0.26 0.26 3.89 2.12 -1.26 -4.69 118.70 114.32 1l1p s GLU 101 Ca 0.61 -0.21 -0.30 0.00 0.36 0.00 0.00 54.97 55.43 1l1p s GLU 101 Cb -0.16 -0.00 -0.09 0.00 0.26 0.00 0.00 34.13 34.13 1l1p s GLU 101 CO 0.56 -0.34 1.09 -0.51 -0.54 0.00 0.00 175.26 175.52 1l1p s LEU 102 N 1.27 4.55 -0.24 2.70 1.02 -1.26 -4.71 118.68 122.01 1l1p s LEU 102 Ca 0.21 2.22 -0.29 0.00 0.02 0.00 0.00 54.13 56.29 1l1p s LEU 102 Cb 0.09 -3.62 -0.02 0.00 0.02 0.00 0.00 46.19 42.66 1l1p s LEU 102 CO -0.11 -0.13 1.58 -2.16 0.02 0.00 0.00 176.35 175.55 1l1p s PRO 103 N -1.26 3.77 0.07 1.29 0.04 -1.26 -4.89 135.00 132.76 1l1p s PRO 103 Ca 0.45 1.57 -0.10 0.00 0.04 0.00 0.00 61.00 62.95 1l1p s PRO 103 Cb -0.31 -4.03 -0.28 0.00 0.04 0.00 0.00 34.50 29.93 1l1p s PRO 103 CO 0.39 -1.32 1.12 0.93 0.04 0.00 0.00 177.00 178.16 1l1p h GLU 104 N 10.69 0.46 -4.07 4.56 5.08 -2.07 -3.40 114.58 125.83 1l1p h GLU 104 Ca -0.32 -0.68 -0.76 0.00 -1.00 0.00 0.00 59.36 56.59 1l1p h GLU 104 Cb 1.15 0.24 -0.24 0.00 0.50 0.00 0.00 28.75 30.39 1l1p h GLU 104 CO 1.01 1.31 -0.09 -1.17 -1.00 0.00 0.00 179.01 179.07 1l1p s LEU 105 N -7.55 6.28 0.00 1.33 0.20 -1.26 -5.36 118.68 112.32 1l1p s LEU 105 Ca -0.07 -2.03 0.00 0.00 0.69 0.00 0.00 54.13 52.72 1l1p s LEU 105 Cb 0.06 -2.22 0.00 0.00 -0.43 0.00 0.00 46.19 43.60 1l1p s LEU 105 CO 0.91 -0.80 0.00 1.07 -0.29 0.00 0.00 176.35 177.24