#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l1p s SER 2 N 0.00 -0.29 -0.16 1.61 1.04 -1.26 -5.17 113.70 109.47 1l1p s SER 2 Ca 0.00 0.09 -0.09 0.00 0.48 0.00 0.00 55.95 56.44 1l1p s SER 2 Cb 0.00 0.29 0.06 0.00 0.10 0.00 0.00 66.02 66.46 1l1p s SER 2 CO 0.00 -0.43 0.38 -1.00 0.98 0.00 0.00 173.24 173.17 1l1p s HIS 3 N -2.39 -0.55 0.00 5.02 4.02 -1.26 -5.04 115.29 115.10 1l1p s HIS 3 Ca 0.05 1.19 0.00 0.00 1.02 0.00 0.00 55.06 57.32 1l1p s HIS 3 Cb -0.01 0.22 0.00 0.00 -1.02 0.00 0.00 32.58 31.77 1l1p s HIS 3 CO -0.05 -0.32 0.00 -1.33 1.02 0.00 0.00 174.74 174.06 1l1p n MET 4 N 4.19 0.00 -2.88 1.40 0.00 -1.26 -5.05 117.12 113.52 1l1p n MET 4 Ca -0.23 0.00 -0.34 0.00 0.00 0.00 0.00 57.70 57.13 1l1p n MET 4 Cb 0.55 -0.97 -0.07 0.00 0.00 0.00 0.00 33.22 32.73 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 -1.97 4.26 0.25 0.03 1.11 -1.26 -5.05 119.66 117.02 1l1p s GLN 5 Ca 0.00 1.07 -0.19 0.00 0.01 0.00 0.00 55.36 56.25 1l1p s GLN 5 Cb 0.00 -2.36 -0.09 0.00 -1.01 0.00 0.00 33.01 29.55 1l1p s GLN 5 CO 0.00 0.07 0.75 0.00 0.01 0.00 0.00 175.29 176.12 1l1p s ALA 6 N -2.02 3.37 0.22 6.09 0.00 -1.26 -5.08 121.76 123.08 1l1p s ALA 6 Ca 0.58 0.17 0.09 0.00 0.00 0.00 0.00 51.96 52.80 1l1p s ALA 6 Cb -0.11 -2.84 -0.05 0.00 0.00 0.00 0.00 23.12 20.12 1l1p s ALA 6 CO 0.16 0.31 -0.17 0.99 0.00 0.00 0.00 175.76 177.06 1l1p s THR 7 N -1.63 1.97 0.33 0.00 2.01 -1.26 -5.16 115.64 111.89 1l1p s THR 7 Ca 0.46 -2.22 0.07 0.00 0.31 0.00 0.00 61.69 60.31 1l1p s THR 7 Cb -0.15 -2.09 -0.03 0.00 0.01 0.00 0.00 72.50 70.24 1l1p s THR 7 CO 0.20 -0.49 0.26 0.26 -0.69 0.00 0.00 174.62 174.16 1l1p s TRP 8 N -2.68 1.73 0.00 4.92 0.52 -1.26 -5.06 118.94 117.11 1l1p s TRP 8 Ca 0.23 -1.63 0.00 0.00 0.02 0.00 0.00 56.10 54.73 1l1p s TRP 8 Cb -0.03 -0.74 0.00 0.00 -1.15 0.00 0.00 33.47 31.55 1l1p s TRP 8 CO 0.09 -0.82 0.60 1.63 0.02 0.00 0.00 176.95 178.47 1l1p n LYS 9 N -0.62 0.00 -2.33 4.98 5.02 -1.26 -5.08 118.16 118.86 1l1p n LYS 9 Ca 0.06 -0.54 -0.41 0.00 -2.02 0.00 0.00 58.31 55.40 1l1p n LYS 9 Cb 0.63 -0.37 -0.03 0.00 -0.02 0.00 0.00 35.03 35.23 1l1p n LYS 9 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1l1p s GLU 10 N 0.00 4.49 0.00 1.97 -1.05 -1.24 -4.62 118.70 118.25 1l1p s GLU 10 Ca 0.00 1.95 0.00 0.00 -0.15 0.00 0.00 54.97 56.77 1l1p s GLU 10 Cb 0.00 -3.18 0.00 0.00 -0.44 0.00 0.00 34.13 30.51 1l1p s GLU 10 CO 0.00 -0.04 0.00 0.36 0.95 0.00 0.00 175.26 176.53 1l1p n LYS 11 N 1.79 1.90 -0.46 -4.83 2.85 -1.22 -4.65 118.16 113.54 1l1p n LYS 11 Ca 0.02 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.33 1l1p n LYS 11 Cb 0.44 0.00 0.07 0.00 -0.65 0.00 0.00 35.03 34.89 1l1p n LYS 11 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1l1p n ASP 12 N 0.00 1.09 -1.10 -5.58 5.75 -1.26 -4.27 116.55 111.18 1l1p n ASP 12 Ca 0.00 -2.55 0.00 0.00 -0.01 0.00 0.00 54.79 52.23 1l1p n ASP 12 Cb 0.00 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 39.77 1l1p n ASP 12 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1l1p n GLY 13 N -0.55 1.28 1.05 6.12 0.00 -1.26 -4.98 105.19 106.84 1l1p n GLY 13 Ca 0.08 -1.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.04 -1.75 4.61 0.00 -1.26 -4.23 120.51 113.83 1l1p n ALA 14 Ca 0.00 -0.49 -0.35 0.00 0.00 0.00 0.00 53.44 52.60 1l1p n ALA 14 Cb 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 -1.59 2.95 0.16 0.00 0.11 0.91 -4.53 120.40 118.41 1l1p s VAL 15 Ca 0.21 0.59 0.01 0.00 -2.93 0.00 0.00 61.98 59.86 1l1p s VAL 15 Cb -0.02 -3.23 -0.04 0.00 -1.53 0.00 0.00 36.38 31.56 1l1p s VAL 15 CO 0.16 -0.13 0.01 -1.61 -3.33 0.00 0.00 175.10 170.19 1l1p s GLU 16 N -3.33 1.04 0.00 1.54 2.02 -1.26 -5.02 118.70 113.69 1l1p s GLU 16 Ca 0.74 -1.49 0.00 0.00 0.02 0.00 0.00 54.97 54.24 1l1p s GLU 16 Cb -0.26 -0.16 0.00 0.00 0.10 0.00 0.00 34.13 33.81 1l1p s GLU 16 CO 0.30 -0.14 0.02 0.00 0.02 0.00 0.00 175.26 175.46 1l1p n ALA 17 N -0.19 0.00 -3.52 5.21 0.00 -1.26 -2.15 120.51 118.59 1l1p n ALA 17 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.09 1l1p n ALA 17 Cb 0.63 0.01 -0.08 0.00 0.00 0.00 0.00 19.45 20.01 1l1p n ALA 17 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1l1p n GLU 18 N -1.42 2.48 -1.05 0.00 1.02 -1.23 -4.36 120.64 116.08 1l1p n GLU 18 Ca 0.00 -4.62 -0.00 0.00 -0.02 0.00 0.00 57.16 52.51 1l1p n GLU 18 Cb 0.00 -2.29 0.00 0.00 -0.02 0.00 0.00 31.44 29.13 1l1p n GLU 18 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1l1p n ASP 19 N 1.20 0.06 -3.52 1.62 9.92 -0.91 -4.46 116.55 120.46 1l1p n ASP 19 Ca 0.27 -1.04 -0.17 0.00 -0.53 0.00 0.00 54.79 53.32 1l1p n ASP 19 Cb 0.39 -0.01 -0.13 0.00 -0.64 0.00 0.00 41.12 40.73 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 -2.06 0.18 0.60 -1.24 1.81 -1.22 0.15 118.95 117.16 1l1p s ARG 20 Ca 0.01 0.30 0.01 0.00 -1.72 0.00 0.00 55.73 54.34 1l1p s ARG 20 Cb -0.00 -0.99 0.06 0.00 -0.45 0.00 0.00 34.95 33.57 1l1p s ARG 20 CO 0.01 -0.59 0.84 0.14 -0.68 0.00 0.00 175.30 175.02 1l1p s VAL 21 N 2.34 2.48 -0.24 3.52 -7.23 0.23 -3.71 120.40 117.80 1l1p s VAL 21 Ca 0.06 -0.67 0.03 0.00 -1.81 0.00 0.00 61.98 59.59 1l1p s VAL 21 Cb -0.15 -2.81 0.05 0.00 0.56 0.00 0.00 36.38 34.03 1l1p s VAL 21 CO -0.11 0.00 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.66 1l1p s THR 22 N -2.86 2.11 0.14 5.32 2.01 0.24 -1.01 115.64 121.59 1l1p s THR 22 Ca 0.60 -1.49 0.07 0.00 0.31 0.00 0.00 61.69 61.19 1l1p s THR 22 Cb -0.09 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 1l1p s THR 22 CO 0.40 0.07 -0.17 0.27 -0.69 0.00 0.00 174.62 174.50 1l1p s ILE 23 N 1.15 1.60 -0.14 1.82 -4.36 0.76 -0.55 121.20 121.49 1l1p s ILE 23 Ca -0.06 -1.78 0.02 0.00 -0.26 0.00 0.00 60.65 58.57 1l1p s ILE 23 Cb -0.19 -1.67 0.02 0.00 1.25 0.00 0.00 42.46 41.87 1l1p s ILE 23 CO -0.07 -0.32 -0.18 1.51 0.24 0.00 0.00 174.94 176.12 1l1p s ASP 24 N -2.47 2.81 0.18 4.36 -4.77 -0.52 0.12 116.67 116.38 1l1p s ASP 24 Ca 0.11 -0.53 -0.03 0.00 -3.30 0.00 0.00 52.55 48.81 1l1p s ASP 24 Cb -0.06 -1.28 -0.03 0.00 -1.09 0.00 0.00 42.92 40.45 1l1p s ASP 24 CO 0.05 0.02 0.15 0.72 0.70 0.00 0.00 175.17 176.81 1l1p s PHE 25 N 1.06 0.91 -0.20 2.11 -0.12 0.29 0.37 117.98 122.40 1l1p s PHE 25 Ca -0.03 -1.21 -0.05 0.00 -0.05 0.00 0.00 56.93 55.58 1l1p s PHE 25 Cb -0.14 -0.42 0.10 0.00 -0.63 0.00 0.00 43.02 41.92 1l1p s PHE 25 CO -0.05 -0.64 0.37 0.99 -0.05 0.00 0.00 175.22 175.85 1l1p s THR 26 N -4.09 -0.58 0.29 -4.49 2.01 0.19 0.17 115.64 109.13 1l1p s THR 26 Ca 0.30 0.12 -0.19 0.00 0.31 0.00 0.00 61.69 62.23 1l1p s THR 26 Cb 0.06 -0.66 0.02 0.00 0.01 0.00 0.00 72.50 71.93 1l1p s THR 26 CO 0.07 0.02 0.70 -0.83 -0.69 0.00 0.00 174.62 173.89 1l1p s GLY 27 N 2.55 0.07 0.45 4.40 0.00 0.31 -2.44 107.32 112.65 1l1p s GLY 27 Ca 0.03 -0.45 0.07 0.00 0.00 0.00 0.00 44.72 44.37 1l1p s GLY 27 CO -0.13 -0.20 0.32 -1.35 0.00 0.00 0.00 173.10 171.74 1l1p s SER 28 N -2.96 4.73 0.00 1.64 1.04 -0.57 -4.02 113.70 113.56 1l1p s SER 28 Ca 0.13 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.58 1l1p s SER 28 Cb -0.05 -0.30 0.00 0.00 0.10 0.00 0.00 66.02 65.77 1l1p s SER 28 CO 0.08 -0.73 0.00 0.55 0.98 0.00 0.00 173.24 174.12 1l1p n VAL 29 N -1.50 0.00 -1.10 5.02 3.14 -1.15 0.11 118.33 122.86 1l1p n VAL 29 Ca 0.01 0.11 -0.27 0.00 -2.96 0.00 0.00 64.34 61.23 1l1p n VAL 29 Cb 0.63 -1.06 0.07 0.00 -1.06 0.00 0.00 33.84 32.42 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 -2.35 6.72 0.00 6.55 -0.08 -1.26 -4.63 116.55 121.50 1l1p n ASP 30 Ca 0.00 -3.47 0.00 0.00 -1.51 0.00 0.00 54.79 49.81 1l1p n ASP 30 Cb 0.00 -0.98 0.00 0.00 2.34 0.00 0.00 41.12 42.48 1l1p n ASP 30 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1l1p n GLY 31 N -0.48 1.73 2.89 0.27 0.00 -1.26 -5.02 105.19 103.32 1l1p n GLY 31 Ca 0.50 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.84 0.78 0.06 1.61 0.41 -1.26 -4.94 118.70 114.52 1l1p s GLU 32 Ca 0.00 -0.09 -0.30 0.00 -0.41 0.00 0.00 54.97 54.16 1l1p s GLU 32 Cb 0.00 -0.80 -0.09 0.00 -1.78 0.00 0.00 34.13 31.46 1l1p s GLU 32 CO 0.00 -0.08 1.92 -1.83 -0.49 0.00 0.00 175.26 174.78 1l1p s GLU 33 N 0.89 4.14 0.00 1.61 -1.05 -1.26 -2.92 118.70 120.11 1l1p s GLU 33 Ca -0.12 2.60 0.00 0.00 -0.15 0.00 0.00 54.97 57.30 1l1p s GLU 33 Cb -0.14 -4.00 0.00 0.00 -0.44 0.00 0.00 34.13 29.55 1l1p s GLU 33 CO 0.00 -0.92 0.00 1.97 0.95 0.00 0.00 175.26 177.26 1l1p n PHE 34 N 7.01 0.00 0.18 4.83 -1.74 -1.26 -4.77 117.46 121.72 1l1p n PHE 34 Ca 0.19 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.97 1l1p n PHE 34 Cb 0.40 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.34 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 -0.50 -0.04 3.97 5.08 -1.96 -3.19 114.58 117.94 1l1p h GLU 35 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1l1p h GLU 35 Cb 0.00 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1l1p h GLU 35 CO 0.00 -0.22 0.00 0.41 -1.00 0.00 0.00 179.01 178.20 1l1p n GLY 36 N 0.11 -0.81 0.00 -3.84 0.00 -1.26 -4.03 105.19 95.36 1l1p n GLY 36 Ca -0.08 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.67 -0.38 3.06 -0.02 0.00 -1.21 -4.26 105.19 103.05 1l1p n GLY 37 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.73 0.20 0.03 1.61 -2.85 -1.26 0.11 119.74 114.85 1l1p s LYS 38 Ca 0.00 0.79 0.03 0.00 -1.00 0.00 0.00 55.97 55.79 1l1p s LYS 38 Cb 0.00 -0.00 -0.02 0.00 -2.06 0.00 0.00 37.83 35.75 1l1p s LYS 38 CO 0.00 -0.30 -0.10 0.00 0.10 0.00 0.00 175.35 175.05 1l1p s ALA 39 N 2.47 0.79 0.02 0.59 0.00 0.44 -4.97 121.76 121.10 1l1p s ALA 39 Ca 0.01 -0.66 -0.04 0.00 0.00 0.00 0.00 51.96 51.27 1l1p s ALA 39 Cb -0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 1l1p s ALA 39 CO -0.10 0.11 -0.08 0.43 0.00 0.00 0.00 175.76 176.12 1l1p n SER 40 N 2.02 1.22 -3.93 0.00 7.64 -1.26 0.11 113.62 119.41 1l1p n SER 40 Ca -0.18 0.17 -0.41 0.00 1.01 0.00 0.00 58.87 59.46 1l1p n SER 40 Cb 0.56 -0.41 -0.01 0.00 -1.01 0.00 0.00 64.21 63.34 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 -3.68 5.97 -4.51 6.43 8.00 -1.25 -2.60 116.55 124.91 1l1p n ASP 41 Ca -0.04 -3.40 -0.43 0.00 0.71 0.00 0.00 54.79 51.62 1l1p n ASP 41 Cb 0.17 -1.18 -0.06 0.00 -0.02 0.00 0.00 41.12 40.03 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 -2.68 3.02 -0.78 1.24 5.36 0.32 -4.87 117.98 119.59 1l1p s PHE 42 Ca 0.32 -0.09 -0.22 0.00 -0.96 0.00 0.00 56.93 55.98 1l1p s PHE 42 Cb 0.06 -3.53 0.08 0.00 -0.34 0.00 0.00 43.02 39.29 1l1p s PHE 42 CO 0.08 -0.98 1.09 0.08 -1.46 0.00 0.00 175.22 174.03 1l1p s VAL 43 N 3.01 4.34 0.12 3.12 1.01 -1.26 -0.17 120.40 130.58 1l1p s VAL 43 Ca 0.24 -0.67 -0.16 0.00 0.00 0.00 0.00 61.98 61.38 1l1p s VAL 43 Cb -0.14 -4.77 -0.07 0.00 0.00 0.00 0.00 36.38 31.40 1l1p s VAL 43 CO 0.19 -1.56 0.56 -0.22 0.00 0.00 0.00 175.10 174.07 1l1p s LEU 44 N 3.92 4.40 -0.43 3.92 0.20 -0.18 -4.87 118.68 125.63 1l1p s LEU 44 Ca 0.29 1.14 -0.11 0.00 0.69 0.00 0.00 54.13 56.14 1l1p s LEU 44 Cb -0.11 -3.14 0.07 0.00 -0.43 0.00 0.00 46.19 42.58 1l1p s LEU 44 CO 0.03 0.16 0.29 0.00 -0.29 0.00 0.00 176.35 176.54 1l1p s ALA 45 N -1.34 3.36 -1.01 5.97 0.00 -1.26 0.77 121.76 128.26 1l1p s ALA 45 Ca 0.35 -2.08 -0.24 0.00 0.00 0.00 0.00 51.96 49.98 1l1p s ALA 45 Cb -0.16 -2.76 -0.15 0.00 0.00 0.00 0.00 23.12 20.04 1l1p s ALA 45 CO 0.19 -1.64 1.94 -1.33 0.00 0.00 0.00 175.76 174.93 1l1p n MET 46 N 5.01 1.15 0.00 0.00 2.81 0.39 -3.55 117.12 122.92 1l1p n MET 46 Ca -0.11 -2.09 0.00 0.00 -1.81 0.00 0.00 57.70 53.69 1l1p n MET 46 Cb 0.44 -3.55 0.00 0.00 -0.71 0.00 0.00 33.22 29.40 1l1p n MET 46 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1l1p n GLY 47 N 5.58 0.77 1.39 3.03 0.00 -1.26 -2.61 105.19 112.10 1l1p n GLY 47 Ca 0.45 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.11 1.61 0.00 -1.23 -4.65 117.38 112.99 1l1p n GLN 48 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.00 56.80 1l1p n GLN 48 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.16 1l1p n GLN 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1l1p n GLY 49 N 2.60 -0.67 0.00 1.69 0.00 -1.26 -4.98 105.19 102.58 1l1p n GLY 49 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.40 0.00 -1.39 1.61 -4.01 -1.26 -5.11 116.66 102.10 1l1p n ARG 50 Ca -0.34 0.00 -0.53 0.00 -1.04 0.00 0.00 57.85 55.94 1l1p n ARG 50 Cb 0.67 0.00 -0.09 0.00 -3.04 0.00 0.00 32.46 30.00 1l1p n ARG 50 CO 0.00 0.00 0.00 -0.12 -3.04 0.00 0.00 177.63 174.47 1l1p n MET 51 N 0.00 0.76 -1.09 2.89 0.00 -1.26 -4.90 117.12 113.51 1l1p n MET 51 Ca 0.00 0.20 -0.30 0.00 -0.00 0.00 0.00 57.70 57.60 1l1p n MET 51 Cb 0.00 -2.18 0.13 0.00 0.00 0.00 0.00 33.22 31.17 1l1p n MET 51 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 175.97 176.93 1l1p s ILE 52 N 6.95 2.76 0.38 1.12 -4.36 -1.26 -4.67 121.20 122.12 1l1p s ILE 52 Ca 1.13 0.25 0.35 0.00 -0.26 0.00 0.00 60.65 62.11 1l1p s ILE 52 Cb -1.05 -2.63 0.35 0.00 1.25 0.00 0.00 42.46 40.39 1l1p s ILE 52 CO 0.54 -0.32 2.06 1.55 0.24 0.00 0.00 174.94 179.01 1l1p h PRO 53 N -1.52 0.00 0.32 0.37 0.13 -1.92 -0.51 132.00 128.87 1l1p h PRO 53 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1l1p h PRO 53 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1l1p h PRO 53 CO 0.51 0.00 -0.15 0.78 -0.23 0.00 0.00 178.00 178.91 1l1p h GLY 54 N 0.00 -0.44 0.80 1.56 0.00 -1.90 -2.96 103.07 100.13 1l1p h GLY 54 Ca 0.00 0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.41 1l1p h GLY 54 CO 0.00 -0.16 -0.20 0.74 0.00 0.00 0.00 176.54 176.92 1l1p h PHE 55 N -1.06 0.54 -0.02 5.60 0.04 -1.71 -2.76 116.94 117.56 1l1p h PHE 55 Ca -0.04 -0.17 0.01 0.00 2.80 0.00 0.00 57.97 60.57 1l1p h PHE 55 Cb 0.33 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 38.36 1l1p h PHE 55 CO 0.00 0.83 0.26 1.49 -0.60 0.00 0.00 178.31 180.30 1l1p h GLU 56 N 0.10 0.00 0.00 1.51 4.81 -1.26 0.13 114.58 119.88 1l1p h GLU 56 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1l1p h GLU 56 Cb 0.75 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1l1p h GLU 56 CO 0.05 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.08 1l1p n ASP 57 N -3.00 0.00 0.09 1.04 9.92 -1.05 -3.70 116.55 119.85 1l1p n ASP 57 Ca -0.02 0.13 -0.13 0.00 -0.53 0.00 0.00 54.79 54.25 1l1p n ASP 57 Cb 0.32 -0.10 -0.08 0.00 -0.64 0.00 0.00 41.12 40.62 1l1p n ASP 57 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1l1p h GLY 58 N 0.00 -0.23 -2.78 0.44 0.00 -1.49 -3.05 103.07 95.96 1l1p h GLY 58 Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 1l1p h GLY 58 CO 0.00 -0.09 0.01 1.39 0.00 0.00 0.00 176.54 177.85 1l1p n ILE 59 N -5.06 1.78 -0.12 2.60 -0.00 0.46 -4.28 119.36 114.75 1l1p n ILE 59 Ca -0.09 -0.41 -0.05 0.00 -0.00 0.00 0.00 62.75 62.21 1l1p n ILE 59 Cb 0.21 -1.38 0.01 0.00 -0.00 0.00 0.00 39.64 38.49 1l1p n ILE 59 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.55 176.66 1l1p h LYS 60 N 0.78 -0.01 0.00 0.38 1.57 -1.53 -3.43 116.57 114.33 1l1p h LYS 60 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1l1p h LYS 60 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1l1p h LYS 60 CO 0.02 -0.01 0.00 0.41 -0.57 0.00 0.00 179.45 179.30 1l1p n GLY 61 N -1.31 1.11 0.01 3.86 0.00 -1.26 -4.82 105.19 102.78 1l1p n GLY 61 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.06 0.00 -3.31 1.61 -0.00 -1.26 -0.06 115.22 112.13 1l1p n HIS 62 Ca 0.00 -0.37 -0.25 0.00 -0.00 0.00 0.00 57.72 57.10 1l1p n HIS 62 Cb 0.00 -0.04 -0.09 0.00 -0.00 0.00 0.00 29.99 29.86 1l1p n HIS 62 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1l1p n LYS 63 N -0.39 0.29 -1.58 -1.40 5.02 -1.26 -5.03 118.16 113.81 1l1p n LYS 63 Ca 0.01 -3.09 -0.27 0.00 -2.02 0.00 0.00 58.31 52.94 1l1p n LYS 63 Cb 0.34 -1.59 -0.05 0.00 -0.02 0.00 0.00 35.03 33.72 1l1p n LYS 63 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1l1p s ALA 64 N -0.05 1.25 0.00 7.82 0.00 -1.26 -1.87 121.76 127.65 1l1p s ALA 64 Ca 0.33 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1l1p s ALA 64 Cb 0.06 -4.45 0.00 0.00 0.00 0.00 0.00 23.12 18.73 1l1p s ALA 64 CO -0.18 -5.07 0.00 0.41 0.00 0.00 0.00 175.76 170.92 1l1p n GLY 65 N 6.35 1.74 3.94 0.00 0.00 0.13 -4.80 105.19 112.55 1l1p n GLY 65 Ca 0.41 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.66 3.43 -0.29 1.61 2.12 -0.56 -4.86 118.70 119.50 1l1p s GLU 66 Ca 0.00 -0.58 0.01 0.00 0.36 0.00 0.00 54.97 54.77 1l1p s GLU 66 Cb 0.00 -2.97 0.06 0.00 0.26 0.00 0.00 34.13 31.48 1l1p s GLU 66 CO 0.00 0.53 -0.05 -2.00 -0.54 0.00 0.00 175.26 173.21 1l1p s GLU 67 N -3.13 2.23 0.18 4.30 -6.30 -1.26 0.89 118.70 115.61 1l1p s GLU 67 Ca 0.35 -1.38 0.01 0.00 -2.50 0.00 0.00 54.97 51.44 1l1p s GLU 67 Cb -0.11 -3.04 -0.05 0.00 0.00 0.00 0.00 34.13 30.93 1l1p s GLU 67 CO 0.28 -0.64 0.04 -0.59 0.02 0.00 0.00 175.26 174.38 1l1p s PHE 68 N 1.14 1.20 -0.10 5.30 -0.12 0.41 -4.96 117.98 120.85 1l1p s PHE 68 Ca -0.05 -1.13 0.02 0.00 -0.05 0.00 0.00 56.93 55.71 1l1p s PHE 68 Cb -0.20 -0.68 0.01 0.00 -0.63 0.00 0.00 43.02 41.53 1l1p s PHE 68 CO -0.04 -0.34 -0.14 0.99 -0.05 0.00 0.00 175.22 175.64 1l1p s THR 69 N -3.80 1.37 0.20 -4.49 2.01 -1.26 0.14 115.64 109.81 1l1p s THR 69 Ca 0.28 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 61.73 1l1p s THR 69 Cb 0.07 -1.26 -0.05 0.00 0.01 0.00 0.00 72.50 71.27 1l1p s THR 69 CO 0.06 0.41 0.02 0.27 -0.69 0.00 0.00 174.62 174.69 1l1p s ILE 70 N 0.94 0.73 0.12 1.82 -0.00 -0.30 -4.93 121.20 119.57 1l1p s ILE 70 Ca -0.08 -2.00 -0.08 0.00 -0.00 0.00 0.00 60.65 58.49 1l1p s ILE 70 Cb -0.15 -2.26 -0.06 0.00 -0.00 0.00 0.00 42.46 39.99 1l1p s ILE 70 CO -0.00 -0.36 0.40 -0.62 -0.00 0.00 0.00 174.94 174.36 1l1p s ASP 71 N -3.23 6.58 -0.09 4.36 2.15 -1.26 -1.80 116.67 123.37 1l1p s ASP 71 Ca 0.27 0.72 -0.06 0.00 0.43 0.00 0.00 52.55 53.92 1l1p s ASP 71 Cb 0.06 -2.15 0.04 0.00 -0.30 0.00 0.00 42.92 40.57 1l1p s ASP 71 CO 0.07 0.10 0.23 0.68 -0.17 0.00 0.00 175.17 176.08 1l1p s VAL 72 N -1.54 -0.03 -0.13 1.11 -7.23 -0.62 -3.78 120.40 108.20 1l1p s VAL 72 Ca 0.37 0.10 -0.05 0.00 -1.81 0.00 0.00 61.98 60.59 1l1p s VAL 72 Cb -0.13 -0.35 0.06 0.00 0.56 0.00 0.00 36.38 36.52 1l1p s VAL 72 CO 0.21 0.04 0.28 -0.89 -0.31 0.00 0.00 175.10 174.43 1l1p s THR 73 N 0.85 -0.30 -0.11 5.32 2.01 -1.26 0.19 115.64 122.34 1l1p s THR 73 Ca -0.06 0.22 -0.24 0.00 0.31 0.00 0.00 61.69 61.92 1l1p s THR 73 Cb -0.07 -0.45 -0.03 0.00 0.01 0.00 0.00 72.50 71.96 1l1p s THR 73 CO -0.05 0.09 0.77 -0.36 -0.69 0.00 0.00 174.62 174.38 1l1p s PHE 74 N 2.05 3.51 1.27 4.92 0.40 -1.19 -4.91 117.98 124.03 1l1p s PHE 74 Ca -0.03 1.26 -0.20 0.00 -0.60 0.00 0.00 56.93 57.37 1l1p s PHE 74 Cb -0.11 -2.91 0.31 0.00 0.51 0.00 0.00 43.02 40.82 1l1p s PHE 74 CO -0.09 -0.07 1.04 -1.25 0.70 0.00 0.00 175.22 175.55 1l1p s PRO 75 N 1.43 -1.77 0.14 0.24 0.04 -1.26 -4.08 135.00 129.74 1l1p s PRO 75 Ca 0.38 0.10 0.22 0.00 0.04 0.00 0.00 61.00 61.74 1l1p s PRO 75 Cb -0.17 -1.52 0.88 0.00 0.04 0.00 0.00 34.50 33.73 1l1p s PRO 75 CO 0.16 -4.11 1.68 0.39 0.04 0.00 0.00 177.00 175.17 1l1p n GLU 76 N -5.07 0.12 0.01 4.56 4.71 -1.26 -2.86 120.64 120.86 1l1p n GLU 76 Ca 0.12 0.28 -0.10 0.00 -0.01 0.00 0.00 57.16 57.45 1l1p n GLU 76 Cb 0.59 -1.70 -0.13 0.00 -1.01 0.00 0.00 31.44 29.19 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 0.04 0.03 3.49 4.11 -2.03 -3.39 114.58 116.82 1l1p h GLU 77 Ca 0.00 -0.08 -0.00 0.00 0.07 0.00 0.00 59.36 59.35 1l1p h GLU 77 Cb 0.42 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1l1p h GLU 77 CO 0.00 0.75 -0.01 -0.92 0.07 0.00 0.00 179.01 178.89 1l1p h TYR 78 N 0.01 -0.03 -6.00 2.06 5.03 -1.87 -3.48 116.97 112.69 1l1p h TYR 78 Ca -0.21 -0.00 -0.35 0.00 2.58 0.00 0.00 58.73 60.75 1l1p h TYR 78 Cb 1.95 0.01 0.01 0.00 1.55 0.00 0.00 36.73 40.25 1l1p h TYR 78 CO 0.01 -0.02 -0.93 0.72 -1.32 0.00 0.00 178.16 176.62 1l1p n HIS 79 N -2.14 -1.88 -3.04 -3.82 8.25 -1.22 -4.92 115.22 106.45 1l1p n HIS 79 Ca -0.00 0.78 -0.36 0.00 -0.26 0.00 0.00 57.72 57.88 1l1p n HIS 79 Cb 0.01 -1.75 -0.06 0.00 1.12 0.00 0.00 29.99 29.31 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 -1.92 3.36 0.57 -1.41 0.00 -1.26 -4.67 121.76 116.43 1l1p s ALA 80 Ca 0.16 0.23 0.31 0.00 0.00 0.00 0.00 51.96 52.66 1l1p s ALA 80 Cb -0.02 -2.89 1.44 0.00 0.00 0.00 0.00 23.12 21.66 1l1p s ALA 80 CO 0.71 0.30 1.82 1.05 0.00 0.00 0.00 175.76 179.63 1l1p h GLU 81 N 3.26 0.00 0.04 0.00 4.11 -1.97 1.66 114.58 121.69 1l1p h GLU 81 Ca -0.48 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 58.59 1l1p h GLU 81 Cb 1.19 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.39 1l1p h GLU 81 CO 0.65 0.00 -2.18 0.27 0.07 0.00 0.00 179.01 177.82 1l1p n ASN 82 N -3.88 1.58 -0.32 3.06 6.94 -1.26 -4.69 115.26 116.68 1l1p n ASN 82 Ca 0.15 0.09 0.02 0.00 -0.02 0.00 0.00 54.58 54.82 1l1p n ASN 82 Cb 0.92 -0.31 0.03 0.00 -2.36 0.00 0.00 39.78 38.06 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 -3.23 0.55 -3.27 -4.53 -0.00 -0.92 -4.99 117.00 100.62 1l1p n LEU 83 Ca -0.35 -1.30 -0.46 0.00 -0.00 0.00 0.00 56.01 53.90 1l1p n LEU 83 Cb 1.05 -0.08 -0.07 0.00 -0.00 0.00 0.00 43.42 44.32 1l1p n LEU 83 CO 0.37 0.31 0.67 2.29 -0.00 0.00 0.00 177.39 181.04 1l1p n LYS 84 N -0.30 0.00 -3.68 1.47 2.85 0.56 -1.30 118.16 117.76 1l1p n LYS 84 Ca 0.03 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.06 1l1p n LYS 84 Cb 0.64 -1.05 0.03 0.00 -0.65 0.00 0.00 35.03 34.00 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 2.23 -0.47 3.34 2.58 0.00 -1.26 -4.77 105.19 106.83 1l1p n GLY 85 Ca 0.19 0.22 -0.47 0.00 0.00 0.00 0.00 46.02 45.97 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 -5.90 3.59 -0.80 1.61 2.47 -0.42 -4.82 119.74 115.47 1l1p s LYS 86 Ca 0.12 -2.38 -0.26 0.00 -1.56 0.00 0.00 55.97 51.89 1l1p s LYS 86 Cb -0.03 -4.46 0.02 0.00 -1.46 0.00 0.00 37.83 31.90 1l1p s LYS 86 CO 0.82 -1.33 1.43 0.00 0.16 0.00 0.00 175.35 176.44 1l1p s ALA 87 N 0.40 2.61 0.07 3.13 0.00 -1.26 -3.18 121.76 123.53 1l1p s ALA 87 Ca 0.19 -1.51 0.01 0.00 0.00 0.00 0.00 51.96 50.65 1l1p s ALA 87 Cb -0.10 -4.35 -0.00 0.00 0.00 0.00 0.00 23.12 18.66 1l1p s ALA 87 CO -0.09 -3.54 0.05 0.00 0.00 0.00 0.00 175.76 172.18 1l1p n ALA 88 N 9.94 0.13 -2.49 0.00 0.00 0.13 -4.56 120.51 123.67 1l1p n ALA 88 Ca 0.15 -0.41 -0.25 0.00 0.00 0.00 0.00 53.44 52.93 1l1p n ALA 88 Cb 0.50 0.31 -0.15 0.00 0.00 0.00 0.00 19.45 20.10 1l1p n ALA 88 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1l1p s LYS 89 N -2.30 1.45 0.07 0.00 2.20 0.31 -1.58 119.74 119.89 1l1p s LYS 89 Ca 0.06 -0.66 0.01 0.00 -0.36 0.00 0.00 55.97 55.03 1l1p s LYS 89 Cb 0.00 -1.41 -0.03 0.00 -1.51 0.00 0.00 37.83 34.88 1l1p s LYS 89 CO 0.05 0.38 -0.06 -0.06 -0.36 0.00 0.00 175.35 175.30 1l1p s PHE 90 N -0.44 0.71 -0.30 4.03 0.08 -0.75 -1.52 117.98 119.80 1l1p s PHE 90 Ca 0.07 -0.79 0.02 0.00 0.12 0.00 0.00 56.93 56.35 1l1p s PHE 90 Cb -0.07 -0.43 0.09 0.00 -0.57 0.00 0.00 43.02 42.03 1l1p s PHE 90 CO -0.01 -0.17 0.02 0.00 -0.10 0.00 0.00 175.22 174.96 1l1p s ALA 91 N -2.83 2.27 0.24 5.36 0.00 -1.02 -1.15 121.76 124.63 1l1p s ALA 91 Ca 0.02 -1.93 0.06 0.00 0.00 0.00 0.00 51.96 50.11 1l1p s ALA 91 Cb -0.00 -1.70 -0.03 0.00 0.00 0.00 0.00 23.12 21.38 1l1p s ALA 91 CO -0.04 -1.51 0.30 0.42 0.00 0.00 0.00 175.76 174.93 1l1p s ILE 92 N 1.23 4.96 -0.26 0.00 1.01 0.38 -0.64 121.20 127.89 1l1p s ILE 92 Ca 0.04 -1.14 -0.03 0.00 0.00 0.00 0.00 60.65 59.53 1l1p s ILE 92 Cb -0.19 -3.69 0.08 0.00 0.01 0.00 0.00 42.46 38.68 1l1p s ILE 92 CO -0.12 -0.34 0.08 0.21 0.00 0.00 0.00 174.94 174.78 1l1p s ASN 93 N -3.92 3.41 0.77 3.58 3.84 0.16 0.16 114.94 122.93 1l1p s ASN 93 Ca 0.34 -1.20 -0.12 0.00 0.21 0.00 0.00 52.86 52.08 1l1p s ASN 93 Cb -0.09 -0.60 0.06 0.00 -0.55 0.00 0.00 41.25 40.08 1l1p s ASN 93 CO 0.27 -0.38 1.13 -0.22 -2.79 0.00 0.00 177.10 175.11 1l1p s LEU 94 N 1.86 3.12 0.00 3.21 2.96 0.26 -1.44 118.68 128.64 1l1p s LEU 94 Ca 0.05 2.04 0.00 0.00 -0.22 0.00 0.00 54.13 56.00 1l1p s LEU 94 Cb -0.17 -4.55 0.00 0.00 0.50 0.00 0.00 46.19 41.97 1l1p s LEU 94 CO -0.21 -2.23 0.00 0.29 -1.32 0.00 0.00 176.35 172.88 1l1p n LYS 95 N -3.29 0.00 -2.26 1.98 4.76 0.29 0.20 118.16 119.84 1l1p n LYS 95 Ca 0.11 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.14 1l1p n LYS 95 Cb 0.52 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.68 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 1.50 3.06 -0.36 1.97 1.02 -1.17 -3.70 119.74 122.05 1l1p s LYS 96 Ca 0.00 0.49 -0.05 0.00 0.02 0.00 0.00 55.97 56.43 1l1p s LYS 96 Cb 0.00 -4.23 0.07 0.00 -0.52 0.00 0.00 37.83 33.15 1l1p s LYS 96 CO 0.00 -2.23 0.13 0.54 -0.92 0.00 0.00 175.35 172.87 1l1p s VAL 97 N 7.10 3.51 0.35 3.17 0.11 -1.26 0.81 120.40 134.19 1l1p s VAL 97 Ca 0.57 -1.50 0.01 0.00 -2.93 0.00 0.00 61.98 58.13 1l1p s VAL 97 Cb -0.12 -3.14 -0.00 0.00 -1.53 0.00 0.00 36.38 31.59 1l1p s VAL 97 CO 0.23 -0.36 0.04 -0.62 -3.33 0.00 0.00 175.10 171.06 1l1p n GLU 98 N 4.72 0.96 -3.59 1.54 1.02 -1.24 -4.39 120.64 119.65 1l1p n GLU 98 Ca -0.09 -2.64 -0.39 0.00 -0.02 0.00 0.00 57.16 54.01 1l1p n GLU 98 Cb 0.43 0.95 -0.07 0.00 -0.02 0.00 0.00 31.44 32.73 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 -3.27 3.02 0.15 3.49 -6.30 -1.26 -3.45 118.70 111.08 1l1p s GLU 99 Ca 0.05 -2.67 -0.30 0.00 -2.50 0.00 0.00 54.97 49.54 1l1p s GLU 99 Cb 0.00 -3.98 -0.08 0.00 0.00 0.00 0.00 34.13 30.07 1l1p s GLU 99 CO 0.04 -1.22 1.25 -0.98 0.02 0.00 0.00 175.26 174.36 1l1p s ARG 100 N -0.28 4.43 -0.49 4.30 1.04 -1.26 -3.39 118.95 123.30 1l1p s ARG 100 Ca 0.20 1.91 0.06 0.00 -1.04 0.00 0.00 55.73 56.86 1l1p s ARG 100 Cb -0.15 -3.26 0.22 0.00 -2.04 0.00 0.00 34.95 29.72 1l1p s ARG 100 CO -0.06 -0.21 0.76 -1.91 -0.04 0.00 0.00 175.30 173.84 1l1p n GLU 101 N 3.11 0.64 0.01 3.89 2.13 -1.26 -4.58 120.64 124.58 1l1p n GLU 101 Ca 0.07 -2.06 -0.11 0.00 0.66 0.00 0.00 57.16 55.72 1l1p n GLU 101 Cb 0.44 -1.46 -0.09 0.00 0.27 0.00 0.00 31.44 30.60 1l1p n GLU 101 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1l1p h LEU 102 N 4.50 -0.11 -8.73 4.31 4.07 -1.94 -3.43 115.31 113.98 1l1p h LEU 102 Ca -0.02 -0.47 -0.55 0.00 0.08 0.00 0.00 57.88 56.91 1l1p h LEU 102 Cb 1.04 0.03 -0.04 0.00 1.08 0.00 0.00 40.66 42.77 1l1p h LEU 102 CO 0.22 0.51 1.23 -2.16 -1.08 0.00 0.00 178.44 177.16 1l1p s PRO 103 N -3.23 3.22 -0.09 1.13 0.04 -1.26 -4.98 135.00 129.83 1l1p s PRO 103 Ca -0.14 1.02 -0.20 0.00 0.04 0.00 0.00 61.00 61.73 1l1p s PRO 103 Cb -0.00 -4.20 -0.04 0.00 0.04 0.00 0.00 34.50 30.30 1l1p s PRO 103 CO 0.52 -2.01 0.54 -2.00 0.04 0.00 0.00 177.00 174.10 1l1p s GLU 104 N 5.80 4.34 0.54 4.56 2.56 -1.26 -5.08 118.70 130.17 1l1p s GLU 104 Ca 0.70 0.59 0.07 0.00 0.00 0.00 0.00 54.97 56.32 1l1p s GLU 104 Cb -0.17 -3.42 0.04 0.00 2.00 0.00 0.00 34.13 32.59 1l1p s GLU 104 CO 0.29 0.18 0.50 -0.51 -0.56 0.00 0.00 175.26 175.17 1l1p s LEU 105 N 0.49 2.88 0.00 2.70 2.01 -1.26 -5.29 118.68 120.21 1l1p s LEU 105 Ca 0.29 -1.09 0.00 0.00 0.01 0.00 0.00 54.13 53.34 1l1p s LEU 105 Cb -0.16 -1.40 0.00 0.00 0.01 0.00 0.00 46.19 44.64 1l1p s LEU 105 CO 0.13 -1.12 0.00 0.41 1.01 0.00 0.00 176.35 176.78