#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 -3.92 -4.20 1.61 7.64 -1.26 -5.06 113.62 108.44 1l1p n SER 2 Ca 0.00 1.27 -0.12 0.00 1.01 0.00 0.00 58.87 61.04 1l1p n SER 2 Cb 0.00 -4.64 -0.10 0.00 -1.01 0.00 0.00 64.21 58.46 1l1p n SER 2 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1l1p s HIS 3 N -0.92 1.02 -0.31 1.43 3.76 -1.26 -5.13 115.29 113.88 1l1p s HIS 3 Ca -0.15 -0.85 0.03 0.00 -0.15 0.00 0.00 55.06 53.93 1l1p s HIS 3 Cb 0.01 -0.56 0.09 0.00 1.11 0.00 0.00 32.58 33.23 1l1p s HIS 3 CO 0.65 -0.07 0.03 1.41 -0.85 0.00 0.00 174.74 175.91 1l1p s MET 4 N -3.75 1.46 -0.02 1.40 1.75 -1.26 -4.97 119.30 113.91 1l1p s MET 4 Ca 0.13 -1.59 -0.22 0.00 -1.25 0.00 0.00 55.69 52.76 1l1p s MET 4 Cb 0.04 -2.91 -0.23 0.00 2.84 0.00 0.00 34.83 34.57 1l1p s MET 4 CO -0.03 -0.87 1.07 1.96 -0.65 0.00 0.00 175.02 176.50 1l1p h GLN 5 N 7.74 0.31 -7.05 4.11 4.20 -2.07 -3.45 115.11 118.90 1l1p h GLN 5 Ca -0.09 -0.33 -0.56 0.00 0.06 0.00 0.00 58.65 57.74 1l1p h GLN 5 Cb 1.03 0.09 0.15 0.00 0.30 0.00 0.00 27.48 29.05 1l1p h GLN 5 CO 0.49 1.02 0.52 0.00 -0.67 0.00 0.00 178.83 180.20 1l1p n ALA 6 N -2.56 1.27 -2.40 3.87 0.00 -1.26 -5.03 120.51 114.39 1l1p n ALA 6 Ca -0.10 0.06 -0.21 0.00 0.00 0.00 0.00 53.44 53.19 1l1p n ALA 6 Cb 0.60 -2.32 -0.10 0.00 0.00 0.00 0.00 19.45 17.63 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 -1.35 2.07 0.26 0.00 2.01 -1.26 -5.16 115.64 112.22 1l1p s THR 7 Ca 0.77 -2.29 0.03 0.00 0.31 0.00 0.00 61.69 60.52 1l1p s THR 7 Cb -0.40 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.92 1l1p s THR 7 CO 0.45 -0.50 0.20 0.26 -0.69 0.00 0.00 174.62 174.34 1l1p s TRP 8 N -2.73 1.46 -0.00 4.92 0.52 -1.26 -5.02 118.94 116.83 1l1p s TRP 8 Ca 0.26 -1.52 0.00 0.00 0.02 0.00 0.00 56.10 54.86 1l1p s TRP 8 Cb -0.03 -0.64 0.00 0.00 -1.15 0.00 0.00 33.47 31.65 1l1p s TRP 8 CO 0.10 -0.75 0.67 1.63 0.02 0.00 0.00 176.95 178.62 1l1p n LYS 9 N -0.45 0.08 -2.14 4.98 4.76 -1.26 -5.04 118.16 119.09 1l1p n LYS 9 Ca 0.05 -0.69 -0.41 0.00 -2.87 0.00 0.00 58.31 54.38 1l1p n LYS 9 Cb 0.64 -0.52 -0.03 0.00 -1.84 0.00 0.00 35.03 33.28 1l1p n LYS 9 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1l1p s GLU 10 N -0.05 4.35 0.00 1.97 -1.05 -1.22 -4.68 118.70 118.01 1l1p s GLU 10 Ca 0.00 2.15 0.00 0.00 -0.15 0.00 0.00 54.97 56.97 1l1p s GLU 10 Cb 0.00 -3.15 0.00 0.00 -0.44 0.00 0.00 34.13 30.54 1l1p s GLU 10 CO 0.00 -0.28 0.00 1.63 0.95 0.00 0.00 175.26 177.56 1l1p n LYS 11 N 2.24 2.19 -0.30 -4.83 5.02 -1.23 -4.65 118.16 116.59 1l1p n LYS 11 Ca 0.05 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.38 1l1p n LYS 11 Cb 0.42 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.49 1l1p n LYS 11 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1l1p n ASP 12 N 0.00 1.02 -1.11 4.39 9.92 -1.26 -4.39 116.55 125.12 1l1p n ASP 12 Ca 0.00 -2.44 0.00 0.00 -0.53 0.00 0.00 54.79 51.82 1l1p n ASP 12 Cb 0.00 -0.29 0.00 0.00 -0.64 0.00 0.00 41.12 40.19 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 -0.62 1.30 0.68 0.44 0.00 -1.26 -4.98 105.19 100.75 1l1p n GLY 13 Ca 0.07 -1.98 -0.06 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.68 -1.66 4.61 0.00 -1.26 -4.17 120.51 114.34 1l1p n ALA 14 Ca 0.00 -0.32 -0.35 0.00 0.00 0.00 0.00 53.44 52.78 1l1p n ALA 14 Cb 0.00 -0.02 0.03 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 -1.38 2.97 0.15 0.00 0.11 0.17 -4.47 120.40 117.96 1l1p s VAL 15 Ca 0.14 0.55 0.01 0.00 -2.93 0.00 0.00 61.98 59.75 1l1p s VAL 15 Cb -0.01 -3.15 -0.04 0.00 -1.53 0.00 0.00 36.38 31.64 1l1p s VAL 15 CO 0.11 -0.18 0.00 -1.61 -3.33 0.00 0.00 175.10 170.08 1l1p s GLU 16 N -3.56 1.01 0.00 1.54 0.41 -1.26 -5.02 118.70 111.81 1l1p s GLU 16 Ca 0.73 -1.47 0.00 0.00 -0.41 0.00 0.00 54.97 53.81 1l1p s GLU 16 Cb -0.25 -0.13 0.00 0.00 -1.78 0.00 0.00 34.13 31.97 1l1p s GLU 16 CO 0.34 -0.14 0.03 0.00 -0.49 0.00 0.00 175.26 175.00 1l1p n ALA 17 N -0.17 0.00 -3.48 5.21 0.00 -1.26 -1.89 120.51 118.93 1l1p n ALA 17 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.08 1l1p n ALA 17 Cb 0.63 0.02 -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 0.39 0.00 0.00 0.00 177.50 177.89 1l1p n GLU 18 N -1.48 2.59 -0.88 0.00 1.02 -1.21 -4.37 120.64 116.31 1l1p n GLU 18 Ca 0.00 -4.63 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 1.14 0.00 -3.48 1.62 9.92 -0.79 -4.51 116.55 120.45 1l1p n ASP 19 Ca 0.28 -0.88 -0.13 0.00 -0.53 0.00 0.00 54.79 53.53 1l1p n ASP 19 Cb 0.39 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.76 1l1p n ASP 19 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1l1p s ARG 20 N -1.40 0.25 0.57 -1.24 3.52 -1.18 0.13 118.95 119.60 1l1p s ARG 20 Ca 0.00 0.49 0.02 0.00 -0.13 0.00 0.00 55.73 56.11 1l1p s ARG 20 Cb 0.00 -0.60 0.05 0.00 -1.56 0.00 0.00 34.95 32.85 1l1p s ARG 20 CO 0.00 -0.55 0.80 0.14 -0.81 0.00 0.00 175.30 174.88 1l1p s VAL 21 N 2.45 2.57 -0.23 7.11 -7.23 0.23 -3.64 120.40 121.66 1l1p s VAL 21 Ca 0.08 -0.69 0.02 0.00 -1.81 0.00 0.00 61.98 59.57 1l1p s VAL 21 Cb -0.15 -2.88 0.05 0.00 0.56 0.00 0.00 36.38 33.97 1l1p s VAL 21 CO -0.13 0.00 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.65 1l1p s THR 22 N -2.80 1.97 0.14 5.32 2.01 0.15 -0.90 115.64 121.52 1l1p s THR 22 Ca 0.59 -1.33 0.06 0.00 0.31 0.00 0.00 61.69 61.32 1l1p s THR 22 Cb -0.09 -2.03 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 1l1p s THR 22 CO 0.39 0.11 -0.14 0.27 -0.69 0.00 0.00 174.62 174.56 1l1p s ILE 23 N 1.23 1.39 -0.12 1.82 -4.36 0.23 -0.35 121.20 121.04 1l1p s ILE 23 Ca -0.04 -1.81 0.02 0.00 -0.26 0.00 0.00 60.65 58.55 1l1p s ILE 23 Cb -0.18 -1.64 0.02 0.00 1.25 0.00 0.00 42.46 41.91 1l1p s ILE 23 CO -0.07 -0.45 -0.16 1.51 0.24 0.00 0.00 174.94 176.00 1l1p s ASP 24 N -2.62 2.61 0.19 4.36 -4.77 -0.55 0.11 116.67 115.99 1l1p s ASP 24 Ca 0.11 -0.47 -0.03 0.00 -3.30 0.00 0.00 52.55 48.86 1l1p s ASP 24 Cb -0.04 -1.17 -0.03 0.00 -1.09 0.00 0.00 42.92 40.59 1l1p s ASP 24 CO 0.03 0.01 0.17 0.72 0.70 0.00 0.00 175.17 176.81 1l1p s PHE 25 N 1.04 0.92 -0.19 2.11 -0.12 0.29 0.39 117.98 122.42 1l1p s PHE 25 Ca -0.05 -1.21 -0.05 0.00 -0.05 0.00 0.00 56.93 55.58 1l1p s PHE 25 Cb -0.15 -0.40 0.09 0.00 -0.63 0.00 0.00 43.02 41.94 1l1p s PHE 25 CO -0.03 -0.66 0.32 0.99 -0.05 0.00 0.00 175.22 175.78 1l1p s THR 26 N -4.10 -0.50 0.26 -4.49 2.01 0.04 0.14 115.64 109.00 1l1p s THR 26 Ca 0.31 0.10 -0.19 0.00 0.31 0.00 0.00 61.69 62.23 1l1p s THR 26 Cb 0.06 -0.62 0.02 0.00 0.01 0.00 0.00 72.50 71.96 1l1p s THR 26 CO 0.08 -0.01 0.63 -0.83 -0.69 0.00 0.00 174.62 173.80 1l1p s GLY 27 N 2.48 0.05 0.41 4.40 0.00 0.13 -2.49 107.32 112.30 1l1p s GLY 27 Ca 0.05 -0.41 0.08 0.00 0.00 0.00 0.00 44.72 44.43 1l1p s GLY 27 CO -0.12 -0.24 0.28 -1.35 0.00 0.00 0.00 173.10 171.68 1l1p s SER 28 N -2.93 4.76 0.00 1.64 1.04 -0.51 -4.00 113.70 113.69 1l1p s SER 28 Ca 0.13 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.67 1l1p s SER 28 Cb -0.04 -0.54 0.00 0.00 0.10 0.00 0.00 66.02 65.55 1l1p s SER 28 CO 0.06 -0.59 0.00 0.55 0.98 0.00 0.00 173.24 174.23 1l1p n VAL 29 N -1.40 0.00 -1.23 5.02 3.14 -1.18 0.12 118.33 122.80 1l1p n VAL 29 Ca 0.01 0.04 -0.28 0.00 -2.96 0.00 0.00 64.34 61.15 1l1p n VAL 29 Cb 0.63 -0.91 0.05 0.00 -1.06 0.00 0.00 33.84 32.56 1l1p n VAL 29 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1l1p n ASP 30 N -1.49 7.18 0.00 6.55 9.92 -1.26 -4.53 116.55 132.91 1l1p n ASP 30 Ca 0.00 -3.50 0.00 0.00 -0.53 0.00 0.00 54.79 50.76 1l1p n ASP 30 Cb 0.00 -1.03 0.00 0.00 -0.64 0.00 0.00 41.12 39.45 1l1p n ASP 30 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1l1p n GLY 31 N -0.31 1.10 2.80 0.44 0.00 -1.26 -5.02 105.19 102.93 1l1p n GLY 31 Ca 0.50 0.00 -0.22 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 0.69 -0.02 1.61 2.02 -1.26 -4.95 118.70 115.97 1l1p s GLU 32 Ca 0.00 0.05 -0.32 0.00 0.02 0.00 0.00 54.97 54.72 1l1p s GLU 32 Cb 0.00 -0.97 -0.10 0.00 0.10 0.00 0.00 34.13 33.15 1l1p s GLU 32 CO 0.00 -0.26 1.93 -0.85 0.02 0.00 0.00 175.26 176.10 1l1p n GLU 33 N 4.92 2.55 0.00 1.61 0.28 -1.26 -3.09 120.64 125.65 1l1p n GLU 33 Ca -0.11 0.93 0.00 0.00 -0.16 0.00 0.00 57.16 57.83 1l1p n GLU 33 Cb 0.50 -2.84 0.00 0.00 1.43 0.00 0.00 31.44 30.53 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 7.09 0.00 0.15 -1.84 -1.74 -1.26 -4.75 117.46 115.10 1l1p n PHE 34 Ca 0.21 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.99 1l1p n PHE 34 Cb 0.35 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.28 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 -0.41 -0.06 3.97 3.07 -1.96 -3.16 114.58 116.02 1l1p h GLU 35 Ca 0.00 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1l1p h GLU 35 Cb 0.00 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 1l1p h GLU 35 CO 0.00 -0.08 0.00 0.41 -1.40 0.00 0.00 179.01 177.94 1l1p n GLY 36 N 0.12 -0.83 0.03 -3.84 0.00 -1.26 -4.08 105.19 95.34 1l1p n GLY 36 Ca -0.09 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.95 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 0.46 -0.49 3.12 -0.02 0.00 -1.20 -4.38 105.19 102.68 1l1p n GLY 37 Ca 0.00 0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 1l1p n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1l1p s LYS 38 N -2.96 0.26 0.00 1.61 1.02 -1.26 0.22 119.74 118.63 1l1p s LYS 38 Ca -0.00 0.65 -0.02 0.00 0.02 0.00 0.00 55.97 56.62 1l1p s LYS 38 Cb 0.01 -0.07 -0.01 0.00 -0.52 0.00 0.00 37.83 37.25 1l1p s LYS 38 CO 0.03 -0.18 0.02 0.00 -0.92 0.00 0.00 175.35 174.31 1l1p s ALA 39 N 1.50 -0.04 0.05 5.17 0.00 0.38 -4.97 121.76 123.85 1l1p s ALA 39 Ca -0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 51.96 51.66 1l1p s ALA 39 Cb -0.10 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 1l1p s ALA 39 CO -0.10 -0.10 -0.05 0.45 0.00 0.00 0.00 175.76 175.97 1l1p n SER 40 N 2.29 1.08 -3.92 0.00 2.88 -1.26 0.11 113.62 114.80 1l1p n SER 40 Ca -0.18 0.15 -0.41 0.00 -1.33 0.00 0.00 58.87 57.10 1l1p n SER 40 Cb 0.57 -0.35 -0.00 0.00 -0.75 0.00 0.00 64.21 63.68 1l1p n SER 40 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1l1p n ASP 41 N -3.56 5.99 -4.51 -3.46 8.00 -1.25 -2.59 116.55 115.17 1l1p n ASP 41 Ca -0.03 -3.41 -0.43 0.00 0.71 0.00 0.00 54.79 51.63 1l1p n ASP 41 Cb 0.14 -1.18 -0.06 0.00 -0.02 0.00 0.00 41.12 40.00 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 -2.71 2.98 -0.80 1.24 5.36 0.30 -4.87 117.98 119.48 1l1p s PHE 42 Ca 0.32 -0.11 -0.23 0.00 -0.96 0.00 0.00 56.93 55.95 1l1p s PHE 42 Cb 0.06 -3.62 0.07 0.00 -0.34 0.00 0.00 43.02 39.18 1l1p s PHE 42 CO 0.08 -1.04 1.18 0.08 -1.46 0.00 0.00 175.22 174.06 1l1p s VAL 43 N 3.13 4.15 0.07 3.12 1.01 -1.26 -0.60 120.40 130.01 1l1p s VAL 43 Ca 0.24 -0.44 -0.19 0.00 0.00 0.00 0.00 61.98 61.59 1l1p s VAL 43 Cb -0.14 -4.84 -0.07 0.00 0.00 0.00 0.00 36.38 31.33 1l1p s VAL 43 CO 0.18 -1.67 0.56 -0.22 0.00 0.00 0.00 175.10 173.94 1l1p s LEU 44 N 4.47 4.52 -0.41 3.92 0.20 -0.08 -4.89 118.68 126.41 1l1p s LEU 44 Ca 0.32 1.24 -0.09 0.00 0.69 0.00 0.00 54.13 56.29 1l1p s LEU 44 Cb -0.09 -2.87 0.08 0.00 -0.43 0.00 0.00 46.19 42.88 1l1p s LEU 44 CO 0.04 0.28 0.24 0.00 -0.29 0.00 0.00 176.35 176.62 1l1p s ALA 45 N -1.09 3.26 -1.11 5.97 0.00 -1.26 0.77 121.76 128.30 1l1p s ALA 45 Ca 0.29 -2.13 -0.24 0.00 0.00 0.00 0.00 51.96 49.87 1l1p s ALA 45 Cb -0.19 -2.61 -0.14 0.00 0.00 0.00 0.00 23.12 20.18 1l1p s ALA 45 CO 0.19 -1.63 2.03 -1.64 0.00 0.00 0.00 175.76 174.70 1l1p s MET 46 N 1.41 1.96 0.00 0.00 -1.94 0.34 -3.05 119.30 118.01 1l1p s MET 46 Ca 0.03 -0.75 0.00 0.00 -1.71 0.00 0.00 55.69 53.26 1l1p s MET 46 Cb -0.23 -5.11 0.00 0.00 2.01 0.00 0.00 34.83 31.50 1l1p s MET 46 CO 0.02 -4.55 0.00 0.41 -0.01 0.00 0.00 175.02 170.89 1l1p n GLY 47 N 6.05 0.75 0.39 -0.03 0.00 -1.26 -2.46 105.19 108.63 1l1p n GLY 47 Ca 0.43 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.13 1.61 0.00 -1.17 -4.77 117.38 112.92 1l1p n GLN 48 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.00 56.75 1l1p n GLN 48 Cb 0.00 -0.20 -0.08 0.00 0.00 0.00 0.00 30.24 29.96 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 2.65 -0.47 0.00 1.69 0.00 -1.26 -4.98 105.19 102.82 1l1p n GLY 49 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -4.29 0.00 -1.43 1.61 1.85 -1.26 -5.11 116.66 108.03 1l1p n ARG 50 Ca -0.45 0.00 -0.55 0.00 -1.00 0.00 0.00 57.85 55.84 1l1p n ARG 50 Cb 0.80 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 32.13 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 0.69 -1.21 2.89 0.00 -1.26 -4.90 117.12 113.33 1l1p n MET 51 Ca 0.00 0.20 -0.31 0.00 -0.00 0.00 0.00 57.70 57.59 1l1p n MET 51 Cb 0.00 -2.06 0.10 0.00 0.00 0.00 0.00 33.22 31.26 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 6.21 3.15 0.66 1.12 -4.36 -1.26 -4.70 121.20 122.02 1l1p s ILE 52 Ca 1.11 0.38 0.39 0.00 -0.26 0.00 0.00 60.65 62.28 1l1p s ILE 52 Cb -1.12 -2.81 0.40 0.00 1.25 0.00 0.00 42.46 40.17 1l1p s ILE 52 CO 0.58 -0.48 2.22 1.55 0.24 0.00 0.00 174.94 179.05 1l1p h PRO 53 N -1.16 0.00 0.58 0.37 0.13 -1.92 -0.42 132.00 129.58 1l1p h PRO 53 Ca -0.44 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.67 1l1p h PRO 53 Cb 1.24 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.37 1l1p h PRO 53 CO 0.50 0.00 -0.28 0.78 -0.23 0.00 0.00 178.00 178.77 1l1p h GLY 54 N 0.00 -0.81 0.68 1.56 0.00 -1.90 -2.74 103.07 99.86 1l1p h GLY 54 Ca 0.01 0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.57 1l1p h GLY 54 CO -0.00 -0.29 -0.21 0.74 0.00 0.00 0.00 176.54 176.78 1l1p h PHE 55 N -1.21 0.40 -0.15 5.60 0.04 -1.69 -2.98 116.94 116.95 1l1p h PHE 55 Ca -0.08 -0.15 0.04 0.00 2.80 0.00 0.00 57.97 60.59 1l1p h PHE 55 Cb 0.60 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 1l1p h PHE 55 CO 0.00 0.82 0.40 1.49 -0.60 0.00 0.00 178.31 180.42 1l1p h GLU 56 N -0.14 0.00 0.00 1.51 4.81 -1.22 0.11 114.58 119.65 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 0.80 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1l1p h GLU 56 CO 0.05 0.00 0.00 -3.47 -0.73 0.00 0.00 179.01 174.86 1l1p n ASP 57 N -3.16 0.00 0.21 1.04 -0.08 -1.03 -3.72 116.55 109.81 1l1p n ASP 57 Ca 0.02 0.20 -0.14 0.00 -1.51 0.00 0.00 54.79 53.36 1l1p n ASP 57 Cb 0.49 -0.21 -0.08 0.00 2.34 0.00 0.00 41.12 43.67 1l1p n ASP 57 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1l1p h GLY 58 N 0.00 -0.55 -2.94 0.27 0.00 -1.50 -2.97 103.07 95.38 1l1p h GLY 58 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1l1p h GLY 58 CO 0.00 -0.20 0.00 1.39 0.00 0.00 0.00 176.54 177.73 1l1p n ILE 59 N -5.23 1.85 -0.06 2.60 -0.00 0.36 -4.28 119.36 114.59 1l1p n ILE 59 Ca -0.10 -0.44 -0.07 0.00 -0.00 0.00 0.00 62.75 62.13 1l1p n ILE 59 Cb 0.27 -1.44 -0.01 0.00 -0.00 0.00 0.00 39.64 38.46 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 1.01 -0.18 0.00 0.38 1.57 -1.53 -3.43 116.57 114.39 1l1p h LYS 60 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1l1p h LYS 60 Cb 0.97 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1l1p h LYS 60 CO 0.00 -0.12 0.00 0.41 -0.57 0.00 0.00 179.45 179.17 1l1p n GLY 61 N -1.36 0.84 0.00 3.86 0.00 -1.26 -4.80 105.19 102.47 1l1p n GLY 61 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.25 1.61 -0.00 -1.26 0.47 115.22 112.78 1l1p n HIS 62 Ca 0.00 -0.15 -0.19 0.00 -0.00 0.00 0.00 57.72 57.38 1l1p n HIS 62 Cb 0.00 -0.01 -0.07 0.00 -0.00 0.00 0.00 29.99 29.90 1l1p n HIS 62 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1l1p s LYS 63 N -0.30 0.84 -0.51 -1.40 1.02 -1.26 -5.02 119.74 113.11 1l1p s LYS 63 Ca 0.00 -1.49 -0.26 0.00 0.02 0.00 0.00 55.97 54.24 1l1p s LYS 63 Cb 0.00 -0.92 -0.07 0.00 -0.52 0.00 0.00 37.83 36.32 1l1p s LYS 63 CO 0.00 -1.31 2.38 0.00 -0.92 0.00 0.00 175.35 175.50 1l1p s ALA 64 N 0.68 1.60 0.00 5.17 0.00 -1.25 -1.84 121.76 126.12 1l1p s ALA 64 Ca 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1l1p s ALA 64 Cb -0.04 -4.36 0.00 0.00 0.00 0.00 0.00 23.12 18.72 1l1p s ALA 64 CO -0.10 -4.52 0.00 0.41 0.00 0.00 0.00 175.76 171.55 1l1p n GLY 65 N 6.03 1.86 3.89 0.00 0.00 0.19 -4.79 105.19 112.37 1l1p n GLY 65 Ca 0.36 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.81 3.44 -0.35 1.61 2.56 -0.70 -4.84 118.70 119.62 1l1p s GLU 66 Ca 0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 54.97 54.67 1l1p s GLU 66 Cb 0.00 -3.14 0.04 0.00 2.00 0.00 0.00 34.13 33.02 1l1p s GLU 66 CO 0.00 0.73 0.13 -1.21 -0.56 0.00 0.00 175.26 174.34 1l1p s GLU 67 N -1.49 2.68 0.18 4.30 2.02 -1.26 0.14 118.70 125.27 1l1p s GLU 67 Ca 0.21 -1.15 0.01 0.00 0.02 0.00 0.00 54.97 54.06 1l1p s GLU 67 Cb -0.12 -3.52 -0.04 0.00 0.10 0.00 0.00 34.13 30.55 1l1p s GLU 67 CO 0.11 -0.67 0.05 -0.59 0.02 0.00 0.00 175.26 174.18 1l1p s PHE 68 N 1.44 1.18 -0.12 1.61 -0.12 0.41 -4.96 117.98 117.42 1l1p s PHE 68 Ca -0.01 -1.14 0.01 0.00 -0.05 0.00 0.00 56.93 55.74 1l1p s PHE 68 Cb -0.19 -0.67 0.02 0.00 -0.63 0.00 0.00 43.02 41.55 1l1p s PHE 68 CO 0.04 -0.35 -0.14 0.99 -0.05 0.00 0.00 175.22 175.71 1l1p s THR 69 N -3.82 1.46 0.23 -4.49 2.01 -1.26 0.13 115.64 109.89 1l1p s THR 69 Ca 0.28 -0.59 0.04 0.00 0.31 0.00 0.00 61.69 61.73 1l1p s THR 69 Cb 0.07 -1.36 -0.05 0.00 0.01 0.00 0.00 72.50 71.17 1l1p s THR 69 CO 0.06 0.44 -0.01 0.27 -0.69 0.00 0.00 174.62 174.69 1l1p s ILE 70 N 1.27 1.05 0.16 1.82 -0.00 -0.08 -4.95 121.20 120.47 1l1p s ILE 70 Ca -0.01 -2.04 -0.06 0.00 -0.00 0.00 0.00 60.65 58.54 1l1p s ILE 70 Cb -0.14 -2.32 -0.06 0.00 -0.00 0.00 0.00 42.46 39.95 1l1p s ILE 70 CO -0.06 -0.35 0.42 -1.81 -0.00 0.00 0.00 174.94 173.14 1l1p s ASP 71 N -3.30 6.54 -0.08 4.36 1.11 -1.26 -1.45 116.67 122.60 1l1p s ASP 71 Ca 0.28 0.69 -0.04 0.00 0.18 0.00 0.00 52.55 53.65 1l1p s ASP 71 Cb 0.05 -2.13 0.03 0.00 1.07 0.00 0.00 42.92 41.95 1l1p s ASP 71 CO 0.08 0.03 0.18 0.68 1.18 0.00 0.00 175.17 177.32 1l1p s VAL 72 N -1.67 -0.03 -0.14 -1.27 -7.23 -0.29 -3.74 120.40 106.03 1l1p s VAL 72 Ca 0.42 0.11 -0.05 0.00 -1.81 0.00 0.00 61.98 60.65 1l1p s VAL 72 Cb -0.12 -0.28 0.06 0.00 0.56 0.00 0.00 36.38 36.60 1l1p s VAL 72 CO 0.23 0.05 0.29 -0.89 -0.31 0.00 0.00 175.10 174.46 1l1p s THR 73 N 0.83 -0.36 -0.11 5.32 2.01 -1.26 0.10 115.64 122.17 1l1p s THR 73 Ca -0.06 0.23 -0.25 0.00 0.31 0.00 0.00 61.69 61.92 1l1p s THR 73 Cb -0.08 -0.47 -0.03 0.00 0.01 0.00 0.00 72.50 71.94 1l1p s THR 73 CO -0.05 0.10 0.79 -0.36 -0.69 0.00 0.00 174.62 174.41 1l1p s PHE 74 N 2.18 3.51 1.00 4.92 0.40 -1.18 -4.91 117.98 123.89 1l1p s PHE 74 Ca -0.02 1.28 -0.17 0.00 -0.60 0.00 0.00 56.93 57.43 1l1p s PHE 74 Cb -0.12 -2.93 0.25 0.00 0.51 0.00 0.00 43.02 40.74 1l1p s PHE 74 CO -0.09 -0.08 0.75 -0.35 0.70 0.00 0.00 175.22 176.15 1l1p n PRO 75 N 4.50 -3.26 0.02 0.24 -0.04 -1.26 -4.08 135.00 131.12 1l1p n PRO 75 Ca 0.02 -1.22 0.12 0.00 -0.04 0.00 0.00 63.50 62.38 1l1p n PRO 75 Cb 0.50 -1.31 0.51 0.00 -0.04 0.00 0.00 33.50 33.16 1l1p n PRO 75 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1l1p n GLU 76 N -4.36 0.05 0.04 0.54 -0.58 -1.26 -3.28 120.64 111.78 1l1p n GLU 76 Ca 0.11 0.11 -0.16 0.00 -0.42 0.00 0.00 57.16 56.80 1l1p n GLU 76 Cb 0.44 -1.56 -0.14 0.00 -0.57 0.00 0.00 31.44 29.61 1l1p n GLU 76 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 1l1p h GLU 77 N 0.00 0.21 0.00 3.49 4.11 -2.03 -3.40 114.58 116.96 1l1p h GLU 77 Ca 0.00 -0.36 0.00 0.00 0.07 0.00 0.00 59.36 59.07 1l1p h GLU 77 Cb 0.47 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1l1p h GLU 77 CO 0.00 1.03 0.00 0.98 0.07 0.00 0.00 179.01 181.09 1l1p n TYR 78 N -3.39 0.00 -3.48 2.06 4.19 -1.20 -4.92 117.16 110.41 1l1p n TYR 78 Ca -0.20 0.00 -0.19 0.00 3.31 0.00 0.00 57.90 60.82 1l1p n TYR 78 Cb 1.05 -0.47 0.00 0.00 0.49 0.00 0.00 39.34 40.41 1l1p n TYR 78 CO 0.00 0.00 0.00 0.72 0.91 0.00 0.00 176.86 178.49 1l1p n HIS 79 N -1.90 -1.55 -3.14 2.98 8.25 -1.24 -4.92 115.22 113.71 1l1p n HIS 79 Ca 0.00 0.64 -0.34 0.00 -0.26 0.00 0.00 57.72 57.76 1l1p n HIS 79 Cb 0.00 -2.06 -0.06 0.00 1.12 0.00 0.00 29.99 28.99 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 -2.70 3.37 -0.16 -1.41 0.00 -1.26 -4.69 121.76 114.90 1l1p s ALA 80 Ca 0.01 0.08 0.18 0.00 0.00 0.00 0.00 51.96 52.23 1l1p s ALA 80 Cb -0.00 -2.77 1.00 0.00 0.00 0.00 0.00 23.12 21.35 1l1p s ALA 80 CO 0.68 0.34 1.53 0.39 0.00 0.00 0.00 175.76 178.70 1l1p n GLU 81 N 0.08 0.12 -0.11 0.00 1.02 -1.26 0.18 120.64 120.67 1l1p n GLU 81 Ca 0.01 0.61 -0.25 0.00 -0.02 0.00 0.00 57.16 57.51 1l1p n GLU 81 Cb 0.52 -1.98 -0.11 0.00 -0.02 0.00 0.00 31.44 29.85 1l1p n GLU 81 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1l1p n ASN 82 N -2.17 1.93 -1.04 1.62 3.02 -1.26 -4.75 115.26 112.61 1l1p n ASN 82 Ca -0.01 0.34 0.04 0.00 -0.03 0.00 0.00 54.58 54.91 1l1p n ASN 82 Cb 0.12 -0.86 0.05 0.00 -0.61 0.00 0.00 39.78 38.48 1l1p n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1l1p n LEU 83 N -4.22 1.12 -4.04 3.41 -0.00 -1.04 -4.98 117.00 107.25 1l1p n LEU 83 Ca -0.43 -2.14 -0.56 0.00 -0.00 0.00 0.00 56.01 52.88 1l1p n LEU 83 Cb 0.82 -0.11 -0.08 0.00 -0.00 0.00 0.00 43.42 44.05 1l1p n LEU 83 CO 0.14 0.60 0.78 2.29 -0.00 0.00 0.00 177.39 181.20 1l1p n LYS 84 N 0.01 0.00 -3.82 1.47 2.85 0.47 -1.46 118.16 117.68 1l1p n LYS 84 Ca 0.07 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 57.06 1l1p n LYS 84 Cb 0.94 -1.31 0.01 0.00 -0.65 0.00 0.00 35.03 34.03 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 2.53 -0.54 3.33 2.58 0.00 -1.26 -4.78 105.19 107.05 1l1p n GLY 85 Ca 0.23 0.27 -0.47 0.00 0.00 0.00 0.00 46.02 46.05 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 -6.28 3.46 -0.68 1.61 2.47 -0.53 -4.81 119.74 114.98 1l1p s LYS 86 Ca 0.20 -2.23 -0.27 0.00 -1.56 0.00 0.00 55.97 52.10 1l1p s LYS 86 Cb -0.07 -4.42 0.02 0.00 -1.46 0.00 0.00 37.83 31.90 1l1p s LYS 86 CO 0.87 -1.33 1.34 0.00 0.16 0.00 0.00 175.35 176.39 1l1p s ALA 87 N 0.69 2.74 0.11 3.13 0.00 -1.26 -3.10 121.76 124.07 1l1p s ALA 87 Ca 0.15 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 51.03 1l1p s ALA 87 Cb -0.14 -4.21 -0.01 0.00 0.00 0.00 0.00 23.12 18.76 1l1p s ALA 87 CO -0.06 -3.20 0.08 0.00 0.00 0.00 0.00 175.76 172.59 1l1p n ALA 88 N 9.59 0.23 -2.50 0.00 0.00 0.28 -4.45 120.51 123.66 1l1p n ALA 88 Ca 0.07 -0.64 -0.26 0.00 0.00 0.00 0.00 53.44 52.61 1l1p n ALA 88 Cb 0.49 0.50 -0.16 0.00 0.00 0.00 0.00 19.45 20.29 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 -2.45 1.60 0.06 0.00 3.01 0.31 -1.14 119.74 121.13 1l1p s LYS 89 Ca 0.12 -0.69 0.02 0.00 -1.01 0.00 0.00 55.97 54.41 1l1p s LYS 89 Cb 0.01 -1.53 -0.03 0.00 -1.01 0.00 0.00 37.83 35.27 1l1p s LYS 89 CO 0.08 0.40 -0.07 -0.06 0.51 0.00 0.00 175.35 176.22 1l1p s PHE 90 N -0.41 0.70 -0.30 3.18 0.08 -0.53 -1.43 117.98 119.28 1l1p s PHE 90 Ca 0.06 -0.65 0.02 0.00 0.12 0.00 0.00 56.93 56.48 1l1p s PHE 90 Cb -0.08 -0.42 0.09 0.00 -0.57 0.00 0.00 43.02 42.04 1l1p s PHE 90 CO -0.00 -0.12 0.02 0.00 -0.10 0.00 0.00 175.22 175.01 1l1p s ALA 91 N -2.16 2.34 0.29 5.36 0.00 -1.04 -0.90 121.76 125.65 1l1p s ALA 91 Ca -0.03 -1.97 0.07 0.00 0.00 0.00 0.00 51.96 50.03 1l1p s ALA 91 Cb -0.05 -1.72 -0.03 0.00 0.00 0.00 0.00 23.12 21.33 1l1p s ALA 91 CO -0.02 -1.50 0.27 0.42 0.00 0.00 0.00 175.76 174.93 1l1p s ILE 92 N 1.20 4.18 -0.25 0.00 1.01 0.36 -0.78 121.20 126.91 1l1p s ILE 92 Ca 0.04 -1.31 -0.03 0.00 0.00 0.00 0.00 60.65 59.36 1l1p s ILE 92 Cb -0.19 -3.38 0.08 0.00 0.01 0.00 0.00 42.46 38.99 1l1p s ILE 92 CO -0.11 -0.27 0.09 0.21 0.00 0.00 0.00 174.94 174.86 1l1p s ASN 93 N -3.94 3.39 0.81 3.58 2.47 0.16 0.16 114.94 121.56 1l1p s ASN 93 Ca 0.37 -1.19 -0.11 0.00 0.42 0.00 0.00 52.86 52.35 1l1p s ASN 93 Cb -0.07 -0.58 0.08 0.00 -1.45 0.00 0.00 41.25 39.23 1l1p s ASN 93 CO 0.27 -0.38 1.12 -0.22 -3.72 0.00 0.00 177.10 174.16 1l1p s LEU 94 N 1.88 3.01 0.00 3.21 2.96 0.37 -1.48 118.68 128.63 1l1p s LEU 94 Ca 0.05 1.98 0.00 0.00 -0.22 0.00 0.00 54.13 55.95 1l1p s LEU 94 Cb -0.17 -4.54 0.00 0.00 0.50 0.00 0.00 46.19 41.98 1l1p s LEU 94 CO -0.22 -2.37 0.00 0.29 -1.32 0.00 0.00 176.35 172.73 1l1p n LYS 95 N -3.64 0.00 -2.17 1.98 5.02 0.53 0.57 118.16 120.45 1l1p n LYS 95 Ca 0.10 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.99 1l1p n LYS 95 Cb 0.52 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.51 1l1p n LYS 95 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1l1p s LYS 96 N 1.68 2.99 -0.33 1.97 1.02 -1.19 -3.77 119.74 122.11 1l1p s LYS 96 Ca 0.00 0.65 -0.05 0.00 0.02 0.00 0.00 55.97 56.60 1l1p s LYS 96 Cb 0.00 -4.26 0.05 0.00 -0.52 0.00 0.00 37.83 33.10 1l1p s LYS 96 CO 0.00 -2.30 0.08 0.54 -0.92 0.00 0.00 175.35 172.75 1l1p s VAL 97 N 7.56 3.48 0.39 3.17 0.11 -1.26 0.33 120.40 134.18 1l1p s VAL 97 Ca 0.63 -1.29 0.05 0.00 -2.93 0.00 0.00 61.98 58.44 1l1p s VAL 97 Cb -0.13 -3.01 -0.02 0.00 -1.53 0.00 0.00 36.38 31.69 1l1p s VAL 97 CO 0.24 -0.19 0.17 -1.61 -3.33 0.00 0.00 175.10 170.38 1l1p s GLU 98 N 1.33 1.90 -1.01 1.54 2.02 -1.24 -4.37 118.70 118.87 1l1p s GLU 98 Ca -0.02 -2.15 -0.11 0.00 0.02 0.00 0.00 54.97 52.70 1l1p s GLU 98 Cb -0.20 -0.37 0.25 0.00 0.10 0.00 0.00 34.13 33.91 1l1p s GLU 98 CO 0.01 -0.54 1.00 -2.00 0.02 0.00 0.00 175.26 173.75 1l1p s GLU 99 N -3.64 3.98 0.69 1.61 -6.30 -1.26 -3.09 118.70 110.69 1l1p s GLU 99 Ca 0.27 -2.90 -0.16 0.00 -2.50 0.00 0.00 54.97 49.68 1l1p s GLU 99 Cb 0.02 -4.54 0.02 0.00 0.00 0.00 0.00 34.13 29.63 1l1p s GLU 99 CO 0.18 -1.29 1.20 -0.98 0.02 0.00 0.00 175.26 174.39 1l1p s ARG 100 N -0.58 2.38 -0.36 4.30 1.04 -1.26 -3.44 118.95 121.03 1l1p s ARG 100 Ca 0.27 1.76 -0.06 0.00 -1.04 0.00 0.00 55.73 56.65 1l1p s ARG 100 Cb -0.10 -1.86 0.21 0.00 -2.04 0.00 0.00 34.95 31.16 1l1p s ARG 100 CO -0.08 -1.65 1.07 -2.00 -0.04 0.00 0.00 175.30 172.59 1l1p s GLU 101 N -3.79 0.28 0.63 3.89 2.56 -1.26 -4.70 118.70 116.31 1l1p s GLU 101 Ca 0.75 -0.27 -0.13 0.00 0.00 0.00 0.00 54.97 55.31 1l1p s GLU 101 Cb -0.29 -0.01 -0.02 0.00 2.00 0.00 0.00 34.13 35.81 1l1p s GLU 101 CO 0.42 -0.35 1.05 -0.51 -0.56 0.00 0.00 175.26 175.31 1l1p s LEU 102 N 1.03 3.34 -0.41 2.70 1.02 -1.26 -4.68 118.68 120.41 1l1p s LEU 102 Ca 0.24 1.68 -0.29 0.00 0.02 0.00 0.00 54.13 55.78 1l1p s LEU 102 Cb 0.11 -4.51 0.01 0.00 0.02 0.00 0.00 46.19 41.83 1l1p s LEU 102 CO -0.10 -1.21 1.33 -2.16 0.02 0.00 0.00 176.35 174.23 1l1p s PRO 103 N -4.56 3.65 -0.04 1.29 0.04 -1.26 -4.92 135.00 129.20 1l1p s PRO 103 Ca 0.60 0.89 -0.21 0.00 0.04 0.00 0.00 61.00 62.32 1l1p s PRO 103 Cb -0.14 -3.98 -0.15 0.00 0.04 0.00 0.00 34.50 30.27 1l1p s PRO 103 CO 0.45 -1.47 0.89 1.49 0.04 0.00 0.00 177.00 178.40 1l1p h GLU 104 N 10.18 -0.27 -4.17 4.56 4.57 -2.07 -3.40 114.58 123.98 1l1p h GLU 104 Ca -0.26 0.02 -0.75 0.00 -1.18 0.00 0.00 59.36 57.18 1l1p h GLU 104 Cb 1.09 0.06 -0.23 0.00 -0.16 0.00 0.00 28.75 29.51 1l1p h GLU 104 CO 1.09 0.11 -0.11 -0.51 -1.18 0.00 0.00 179.01 178.41 1l1p s LEU 105 N -9.07 6.11 0.00 1.64 1.43 -1.26 -5.35 118.68 112.17 1l1p s LEU 105 Ca -0.12 -1.84 0.27 0.00 -1.03 0.00 0.00 54.13 51.41 1l1p s LEU 105 Cb 0.01 -2.23 0.92 0.00 0.03 0.00 0.00 46.19 44.92 1l1p s LEU 105 CO 0.45 -0.87 1.67 0.35 0.23 0.00 0.00 176.35 178.18