#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3djr n PRO 11 N 0.00 0.08 -3.69 0.00 -0.04 -1.26 -4.72 135.00 125.37 3djr n PRO 11 Ca 0.00 0.05 -0.24 0.00 -0.04 0.00 0.00 63.50 63.27 3djr n PRO 11 Cb 0.00 -1.58 -0.17 0.00 -0.04 0.00 0.00 33.50 31.71 3djr n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3djr s LEU 12 N -3.42 0.54 0.08 1.53 2.96 -1.26 -0.99 118.68 118.11 3djr s LEU 12 Ca 0.12 -0.35 0.09 0.00 -0.22 0.00 0.00 54.13 53.77 3djr s LEU 12 Cb 0.17 -0.35 -0.03 0.00 0.50 0.00 0.00 46.19 46.48 3djr s LEU 12 CO 0.59 -0.27 -0.22 -0.04 -1.32 0.00 0.00 176.35 175.08 3djr s MET 13 N 2.04 1.80 -0.11 1.98 -1.94 0.11 -4.38 119.30 118.80 3djr s MET 13 Ca 0.03 -1.14 0.02 0.00 -1.71 0.00 0.00 55.69 52.90 3djr s MET 13 Cb -0.14 -2.06 0.01 0.00 2.01 0.00 0.00 34.83 34.65 3djr s MET 13 CO -0.06 0.50 -0.18 0.08 -0.01 0.00 0.00 175.02 175.34 3djr s VAL 14 N -0.97 1.72 -0.12 -6.03 1.01 -1.10 0.78 120.40 115.69 3djr s VAL 14 Ca 0.14 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.36 3djr s VAL 14 Cb -0.10 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.75 3djr s VAL 14 CO 0.06 0.48 -0.18 -0.75 0.00 0.00 0.00 175.10 174.71 3djr s LYS 15 N 0.80 2.50 -0.09 2.72 2.20 -0.04 -0.45 119.74 127.38 3djr s LYS 15 Ca -0.09 -0.67 0.04 0.00 -0.36 0.00 0.00 55.97 54.89 3djr s LYS 15 Cb -0.16 -2.06 -0.00 0.00 -1.51 0.00 0.00 37.83 34.10 3djr s LYS 15 CO 0.01 -0.03 -0.24 0.08 -0.36 0.00 0.00 175.35 174.81 3djr s VAL 16 N 0.87 2.01 0.15 4.02 1.01 -0.43 -0.32 120.40 127.71 3djr s VAL 16 Ca -0.08 -1.00 0.10 0.00 0.00 0.00 0.00 61.98 61.00 3djr s VAL 16 Cb -0.15 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 3djr s VAL 16 CO -0.01 0.55 -0.22 -0.76 0.00 0.00 0.00 175.10 174.66 3djr s LEU 17 N 0.24 2.50 -0.32 3.92 1.43 0.38 -1.03 118.68 125.81 3djr s LEU 17 Ca -0.15 -0.71 -0.07 0.00 -1.03 0.00 0.00 54.13 52.16 3djr s LEU 17 Cb -0.17 -1.33 0.02 0.00 0.03 0.00 0.00 46.19 44.74 3djr s LEU 17 CO 0.08 0.16 0.10 -0.62 0.23 0.00 0.00 176.35 176.29 3djr s ASP 18 N -2.30 5.25 0.00 2.29 -1.08 0.15 -0.36 116.67 120.62 3djr s ASP 18 Ca 0.18 -0.92 0.30 0.00 -0.52 0.00 0.00 52.55 51.59 3djr s ASP 18 Cb -0.10 -1.88 1.52 0.00 -1.46 0.00 0.00 42.92 41.00 3djr s ASP 18 CO 0.09 -0.27 2.05 0.00 0.52 0.00 0.00 175.17 177.56 3djr n ALA 19 N 4.85 2.49 -0.05 3.66 0.00 0.83 -1.27 120.51 131.03 3djr n ALA 19 Ca -0.13 -0.15 -0.21 0.00 0.00 0.00 0.00 53.44 52.95 3djr n ALA 19 Cb 0.46 -1.49 -0.13 0.00 0.00 0.00 0.00 19.45 18.30 3djr n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3djr h VAL 20 N 0.01 1.05 -0.01 0.00 2.07 -1.93 -3.40 116.25 114.05 3djr h VAL 20 Ca 0.00 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.22 3djr h VAL 20 Cb 0.29 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 3djr h VAL 20 CO 0.00 0.55 -0.77 0.54 0.02 0.00 0.00 177.57 177.91 3djr n ARG 21 N -4.17 0.66 -3.01 1.57 1.74 -1.23 -4.97 116.66 107.25 3djr n ARG 21 Ca -0.26 -0.36 -0.12 0.00 -0.77 0.00 0.00 57.85 56.34 3djr n ARG 21 Cb 0.77 -1.45 0.04 0.00 -1.02 0.00 0.00 32.46 30.80 3djr n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3djr n GLY 22 N 1.44 0.19 3.20 -0.13 0.00 -0.39 -5.02 105.19 104.48 3djr n GLY 22 Ca 0.06 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 3djr n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3djr s SER 23 N -3.22 0.57 0.54 1.61 1.04 -1.09 -5.00 113.70 108.15 3djr s SER 23 Ca 0.26 -1.26 -0.22 0.00 0.48 0.00 0.00 55.95 55.21 3djr s SER 23 Cb -0.11 0.26 -0.05 0.00 0.10 0.00 0.00 66.02 66.21 3djr s SER 23 CO 0.36 -0.72 1.36 -2.84 0.98 0.00 0.00 173.24 172.38 3djr s PRO 24 N -4.04 3.20 -0.53 4.02 0.02 -1.26 0.34 135.00 136.75 3djr s PRO 24 Ca 0.29 2.24 -0.23 0.00 0.02 0.00 0.00 61.00 63.32 3djr s PRO 24 Cb 0.07 -2.29 0.04 0.00 0.02 0.00 0.00 34.50 32.34 3djr s PRO 24 CO 0.06 -1.14 0.85 0.00 -0.33 0.00 0.00 177.00 176.43 3djr s ALA 25 N -1.30 3.23 0.10 -1.55 0.00 -0.20 -4.56 121.76 117.49 3djr s ALA 25 Ca 0.70 -1.32 -0.07 0.00 0.00 0.00 0.00 51.96 51.28 3djr s ALA 25 Cb -0.40 -3.61 -0.06 0.00 0.00 0.00 0.00 23.12 19.05 3djr s ALA 25 CO 0.48 -2.24 0.37 0.42 0.00 0.00 0.00 175.76 174.80 3djr s ILE 26 N 3.56 5.16 -1.35 0.00 1.01 -1.26 -4.31 121.20 124.01 3djr s ILE 26 Ca 0.27 0.21 0.00 0.00 0.00 0.00 0.00 60.65 61.12 3djr s ILE 26 Cb -0.14 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.71 3djr s ILE 26 CO 0.18 0.17 0.00 -3.20 0.00 0.00 0.00 174.94 172.09 3djr n ASN 27 N 0.51 -4.56 -4.75 3.58 4.05 -0.12 -4.93 115.26 109.05 3djr n ASN 27 Ca -0.06 0.10 -0.39 0.00 0.45 0.00 0.00 54.58 54.68 3djr n ASN 27 Cb 0.52 -3.60 -0.05 0.00 1.23 0.00 0.00 39.78 37.87 3djr n ASN 27 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 3djr s VAL 28 N -2.68 4.84 0.02 3.44 1.01 -1.26 -4.72 120.40 121.06 3djr s VAL 28 Ca 0.00 1.41 -0.28 0.00 0.00 0.00 0.00 61.98 63.11 3djr s VAL 28 Cb 0.00 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 3djr s VAL 28 CO 0.00 0.39 0.89 0.00 0.00 0.00 0.00 175.10 176.38 3djr s ALA 29 N -0.07 3.25 -0.09 5.51 0.00 -1.26 -0.64 121.76 128.45 3djr s ALA 29 Ca 0.34 0.44 0.02 0.00 0.00 0.00 0.00 51.96 52.76 3djr s ALA 29 Cb -0.19 -3.20 0.02 0.00 0.00 0.00 0.00 23.12 19.74 3djr s ALA 29 CO 0.20 -0.11 -0.12 0.08 0.00 0.00 0.00 175.76 175.81 3djr s VAL 30 N 0.54 1.22 -0.16 0.00 1.01 -0.05 -0.92 120.40 122.03 3djr s VAL 30 Ca 0.46 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 3djr s VAL 30 Cb -0.21 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 3djr s VAL 30 CO 0.26 0.38 -0.12 -1.00 0.00 0.00 0.00 175.10 174.62 3djr s HIS 31 N 0.95 2.83 -0.11 5.22 3.76 0.10 -1.89 115.29 126.16 3djr s HIS 31 Ca -0.09 -0.87 -0.03 0.00 -0.15 0.00 0.00 55.06 53.92 3djr s HIS 31 Cb -0.15 -1.91 -0.03 0.00 1.11 0.00 0.00 32.58 31.60 3djr s HIS 31 CO -0.00 -0.39 0.01 0.08 -0.85 0.00 0.00 174.74 173.59 3djr s VAL 32 N 0.76 4.36 0.08 -0.90 1.01 0.47 -0.76 120.40 125.42 3djr s VAL 32 Ca -0.05 -0.22 0.06 0.00 0.00 0.00 0.00 61.98 61.77 3djr s VAL 32 Cb -0.15 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 3djr s VAL 32 CO 0.01 0.57 -0.17 -0.36 0.00 0.00 0.00 175.10 175.15 3djr s PHE 33 N -0.52 1.43 -0.01 5.22 0.08 0.29 -0.47 117.98 124.01 3djr s PHE 33 Ca 0.09 -0.44 0.05 0.00 0.12 0.00 0.00 56.93 56.74 3djr s PHE 33 Cb -0.12 -0.79 -0.03 0.00 -0.57 0.00 0.00 43.02 41.51 3djr s PHE 33 CO 0.02 0.11 -0.14 0.50 -0.10 0.00 0.00 175.22 175.61 3djr s ARG 34 N -1.80 2.36 0.02 0.44 3.52 -0.33 -0.98 118.95 122.19 3djr s ARG 34 Ca 0.01 -0.80 -0.30 0.00 -0.13 0.00 0.00 55.73 54.51 3djr s ARG 34 Cb -0.10 -2.33 -0.06 0.00 -1.56 0.00 0.00 34.95 30.90 3djr s ARG 34 CO 0.03 0.59 1.34 0.21 -0.81 0.00 0.00 175.30 176.66 3djr s LYS 35 N -1.09 4.32 0.21 5.12 2.20 0.22 -2.32 119.74 128.41 3djr s LYS 35 Ca 0.13 1.91 0.07 0.00 -0.36 0.00 0.00 55.97 57.73 3djr s LYS 35 Cb -0.11 -3.47 -0.04 0.00 -1.51 0.00 0.00 37.83 32.70 3djr s LYS 35 CO 0.03 -0.48 0.07 0.00 -0.36 0.00 0.00 175.35 174.62 3djr s ALA 36 N 1.90 3.36 0.17 3.13 0.00 -0.73 -4.72 121.76 124.87 3djr s ALA 36 Ca 0.62 -1.40 -0.08 0.00 0.00 0.00 0.00 51.96 51.10 3djr s ALA 36 Cb -0.31 -1.10 0.23 0.00 0.00 0.00 0.00 23.12 21.94 3djr s ALA 36 CO 0.27 0.40 1.02 0.00 0.00 0.00 0.00 175.76 177.45 3djr n ALA 37 N -0.55 0.04 0.55 0.00 0.00 -1.26 0.12 120.51 119.42 3djr n ALA 37 Ca -0.08 0.69 0.00 0.00 0.00 0.00 0.00 53.44 54.05 3djr n ALA 37 Cb 0.56 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.65 3djr n ALA 37 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3djr n ASP 38 N -5.02 0.05 -2.44 0.00 8.00 -1.26 -4.72 116.55 111.16 3djr n ASP 38 Ca 0.09 -0.60 -0.12 0.00 0.71 0.00 0.00 54.79 54.87 3djr n ASP 38 Cb 0.30 -0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 41.37 3djr n ASP 38 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3djr n ASP 39 N -0.36 -3.84 -4.79 -2.24 9.92 0.33 -4.97 116.55 110.59 3djr n ASP 39 Ca 0.00 0.20 -0.31 0.00 -0.53 0.00 0.00 54.79 54.15 3djr n ASP 39 Cb 0.01 -3.27 -0.06 0.00 -0.64 0.00 0.00 41.12 37.16 3djr n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3djr s THR 40 N -2.60 4.67 0.33 -3.53 -4.23 -1.20 -4.92 115.64 104.16 3djr s THR 40 Ca 0.00 -0.62 -0.26 0.00 -1.18 0.00 0.00 61.69 59.63 3djr s THR 40 Cb 0.00 -3.21 -0.10 0.00 1.34 0.00 0.00 72.50 70.53 3djr s THR 40 CO 0.00 0.20 0.98 0.26 -0.54 0.00 0.00 174.62 175.52 3djr s TRP 41 N -1.34 3.59 -0.03 3.99 0.52 -1.26 -1.78 118.94 122.63 3djr s TRP 41 Ca 0.28 1.75 0.02 0.00 0.02 0.00 0.00 56.10 58.16 3djr s TRP 41 Cb -0.12 -3.01 0.01 0.00 -1.15 0.00 0.00 33.47 29.20 3djr s TRP 41 CO 0.20 -0.05 -0.06 -1.83 0.02 0.00 0.00 176.95 175.22 3djr s GLU 42 N -2.07 0.81 0.29 4.98 -1.05 -0.98 -4.93 118.70 115.75 3djr s GLU 42 Ca 0.51 -0.20 -0.27 0.00 -0.15 0.00 0.00 54.97 54.86 3djr s GLU 42 Cb -0.21 -0.78 -0.15 0.00 -0.44 0.00 0.00 34.13 32.55 3djr s GLU 42 CO 0.27 0.03 0.74 -2.30 0.95 0.00 0.00 175.26 174.95 3djr n PRO 43 N 3.55 0.73 0.00 -4.83 -0.02 -1.26 -1.19 135.00 131.98 3djr n PRO 43 Ca -0.20 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 3djr n PRO 43 Cb 0.53 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 3djr n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3djr n PHE 44 N -0.09 0.00 -3.50 6.00 7.35 0.39 -4.66 117.46 122.95 3djr n PHE 44 Ca 0.13 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.70 3djr n PHE 44 Cb 0.31 0.27 -0.04 0.00 0.35 0.00 0.00 39.48 40.38 3djr n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3djr s ALA 45 N -1.95 -1.77 0.15 3.13 0.00 -0.63 -4.94 121.76 115.75 3djr s ALA 45 Ca 0.00 1.06 -0.25 0.00 0.00 0.00 0.00 51.96 52.77 3djr s ALA 45 Cb 0.00 0.23 0.06 0.00 0.00 0.00 0.00 23.12 23.41 3djr s ALA 45 CO 0.00 -0.56 0.91 -1.54 0.00 0.00 0.00 175.76 174.57 3djr s SER 46 N -1.97 -0.22 0.00 0.00 1.04 -1.26 0.18 113.70 111.46 3djr s SER 46 Ca -0.01 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.05 3djr s SER 46 Cb -0.01 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.62 3djr s SER 46 CO -0.03 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 173.87 3djr n GLY 47 N -0.44 -1.58 3.44 7.32 0.00 -0.79 -5.01 105.19 108.13 3djr n GLY 47 Ca -0.06 -1.07 -0.33 0.00 0.00 0.00 0.00 46.02 44.56 3djr n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3djr s LYS 48 N -1.38 2.55 0.54 1.61 1.02 -1.26 -0.87 119.74 121.95 3djr s LYS 48 Ca 0.00 -0.73 -0.21 0.00 0.02 0.00 0.00 55.97 55.05 3djr s LYS 48 Cb 0.00 -2.36 -0.05 0.00 -0.52 0.00 0.00 37.83 34.90 3djr s LYS 48 CO 0.00 0.57 1.30 0.95 -0.92 0.00 0.00 175.35 177.24 3djr s THR 49 N -0.59 2.34 0.30 2.17 -4.23 0.18 -4.71 115.64 111.11 3djr s THR 49 Ca 0.08 0.25 -0.04 0.00 -1.18 0.00 0.00 61.69 60.80 3djr s THR 49 Cb -0.11 -3.12 0.07 0.00 1.34 0.00 0.00 72.50 70.67 3djr s THR 49 CO 0.01 -0.01 0.41 -1.54 -0.54 0.00 0.00 174.62 172.94 3djr n SER 50 N -1.06 0.13 0.01 3.99 3.41 0.18 -0.94 113.62 119.34 3djr n SER 50 Ca 0.11 -1.20 0.08 0.00 -0.26 0.00 0.00 58.87 57.59 3djr n SER 50 Cb 0.46 -0.30 0.36 0.00 -0.26 0.00 0.00 64.21 64.48 3djr n SER 50 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3djr n GLU 51 N -1.84 0.01 -0.24 4.33 0.28 -1.26 -0.18 120.64 121.75 3djr n GLU 51 Ca 0.05 0.22 0.11 0.00 -0.16 0.00 0.00 57.16 57.39 3djr n GLU 51 Cb 0.19 -1.52 0.27 0.00 1.43 0.00 0.00 31.44 31.80 3djr n GLU 51 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3djr n SER 52 N -1.55 3.21 -0.16 -1.84 3.41 -1.26 -4.74 113.62 110.68 3djr n SER 52 Ca 0.04 -1.96 -0.02 0.00 -0.26 0.00 0.00 58.87 56.67 3djr n SER 52 Cb 0.20 -0.31 -0.01 0.00 -0.26 0.00 0.00 64.21 63.83 3djr n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3djr n GLY 53 N 1.46 0.54 3.68 5.00 0.00 0.75 -4.84 105.19 111.77 3djr n GLY 53 Ca 0.20 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 3djr n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3djr s GLU 54 N -1.29 2.95 -0.26 1.61 2.02 -1.26 -1.31 118.70 121.16 3djr s GLU 54 Ca 0.00 -0.43 -0.07 0.00 0.02 0.00 0.00 54.97 54.49 3djr s GLU 54 Cb 0.00 -2.77 -0.02 0.00 0.10 0.00 0.00 34.13 31.44 3djr s GLU 54 CO 0.00 0.70 0.08 -1.17 0.02 0.00 0.00 175.26 174.89 3djr s LEU 55 N -0.93 3.58 0.00 1.80 2.96 0.40 -0.64 118.68 125.85 3djr s LEU 55 Ca 0.14 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.72 3djr s LEU 55 Cb -0.11 -1.92 0.00 0.00 0.50 0.00 0.00 46.19 44.66 3djr s LEU 55 CO 0.03 -0.08 0.03 1.57 -1.32 0.00 0.00 176.35 176.57 3djr n HIS 56 N 4.92 -2.20 -0.23 5.38 -0.00 -1.26 -2.71 115.22 119.12 3djr n HIS 56 Ca -0.16 -0.09 0.00 0.00 -0.00 0.00 0.00 57.72 57.47 3djr n HIS 56 Cb 0.51 -0.02 0.00 0.00 -0.00 0.00 0.00 29.99 30.47 3djr n HIS 56 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3djr n GLY 57 N 4.71 0.00 0.00 1.57 0.00 -1.26 -4.80 105.19 105.40 3djr n GLY 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3djr n GLY 57 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3djr n HIS 58 N -0.05 0.00 -4.11 1.61 8.25 -1.26 -4.97 115.22 114.69 3djr n HIS 58 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 3djr n HIS 58 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 3djr n HIS 58 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3djr s THR 59 N -0.37 1.65 0.60 1.59 -4.23 -1.26 -5.03 115.64 108.60 3djr s THR 59 Ca 0.00 -1.63 0.02 0.00 -1.18 0.00 0.00 61.69 58.90 3djr s THR 59 Cb 0.00 -2.29 0.07 0.00 1.34 0.00 0.00 72.50 71.63 3djr s THR 59 CO 0.00 0.00 0.84 0.42 -0.54 0.00 0.00 174.62 175.34 3djr s THR 60 N -2.77 2.44 0.37 3.99 -4.23 -1.26 -4.05 115.64 110.13 3djr s THR 60 Ca 0.29 -0.70 0.37 0.00 -1.18 0.00 0.00 61.69 60.47 3djr s THR 60 Cb -0.01 -2.74 0.40 0.00 1.34 0.00 0.00 72.50 71.50 3djr s THR 60 CO 0.17 0.00 2.16 -0.33 -0.54 0.00 0.00 174.62 176.08 3djr h GLU 61 N -0.09 0.00 0.51 3.99 5.08 -1.97 -1.30 114.58 120.80 3djr h GLU 61 Ca -0.38 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.95 3djr h GLU 61 Cb 1.28 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.54 3djr h GLU 61 CO 0.46 0.02 -0.25 0.93 -1.00 0.00 0.00 179.01 179.17 3djr h GLU 62 N 0.00 -0.66 0.00 2.33 4.39 -2.04 -3.24 114.58 115.36 3djr h GLU 62 Ca -0.00 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.74 3djr h GLU 62 Cb 0.28 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 3djr h GLU 62 CO 0.00 -0.44 -0.49 -0.85 -1.16 0.00 0.00 179.01 176.07 3djr n GLU 63 N -5.39 0.09 -1.93 2.33 0.28 -1.07 -4.36 120.64 110.60 3djr n GLU 63 Ca -0.12 0.03 -0.42 0.00 -0.16 0.00 0.00 57.16 56.49 3djr n GLU 63 Cb 0.29 -1.56 0.00 0.00 1.43 0.00 0.00 31.44 31.60 3djr n GLU 63 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 3djr n PHE 64 N -1.70 3.46 -2.10 -1.84 7.35 -0.52 -4.97 117.46 117.16 3djr n PHE 64 Ca 0.05 -2.93 -0.29 0.00 -0.76 0.00 0.00 57.45 53.52 3djr n PHE 64 Cb 0.37 -2.41 0.04 0.00 0.35 0.00 0.00 39.48 37.83 3djr n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3djr s VAL 65 N 2.54 3.53 0.76 -2.13 -7.23 -1.26 -4.93 120.40 111.68 3djr s VAL 65 Ca 0.45 0.27 -0.15 0.00 -1.81 0.00 0.00 61.98 60.74 3djr s VAL 65 Cb 0.12 -3.46 -0.01 0.00 0.56 0.00 0.00 36.38 33.59 3djr s VAL 65 CO -0.06 -0.55 0.64 -0.62 -0.31 0.00 0.00 175.10 174.20 3djr n GLU 66 N -2.84 0.25 -2.19 4.82 1.02 -1.26 -4.88 120.64 115.56 3djr n GLU 66 Ca 0.06 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 3djr n GLU 66 Cb 0.57 -1.95 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 3djr n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3djr n GLY 67 N 1.45 -0.92 3.60 0.62 0.00 -1.11 -4.96 105.19 103.87 3djr n GLY 67 Ca 0.10 -1.59 -0.37 0.00 0.00 0.00 0.00 46.02 44.17 3djr n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3djr s ILE 68 N -1.83 5.11 0.09 -0.61 1.01 -1.26 -0.96 121.20 122.74 3djr s ILE 68 Ca 0.00 0.09 0.06 0.00 0.00 0.00 0.00 60.65 60.81 3djr s ILE 68 Cb 0.00 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 3djr s ILE 68 CO 0.00 0.32 -0.08 -0.31 0.00 0.00 0.00 174.94 174.87 3djr s TYR 69 N 1.33 2.79 -0.11 3.97 1.51 -0.50 0.70 117.35 127.05 3djr s TYR 69 Ca 0.07 -0.12 0.02 0.00 -1.01 0.00 0.00 57.07 56.02 3djr s TYR 69 Cb -0.15 -1.47 0.01 0.00 -0.11 0.00 0.00 41.96 40.25 3djr s TYR 69 CO 0.06 0.43 -0.15 0.21 -1.11 0.00 0.00 175.55 174.99 3djr s LYS 70 N -2.14 2.24 -0.25 -0.62 2.20 -0.15 -0.91 119.74 120.12 3djr s LYS 70 Ca 0.22 -0.57 -0.06 0.00 -0.36 0.00 0.00 55.97 55.19 3djr s LYS 70 Cb -0.11 -1.90 -0.02 0.00 -1.51 0.00 0.00 37.83 34.29 3djr s LYS 70 CO 0.14 -0.06 0.04 0.08 -0.36 0.00 0.00 175.35 175.18 3djr s VAL 71 N 0.98 3.96 -0.20 4.02 1.01 0.42 -0.55 120.40 130.03 3djr s VAL 71 Ca -0.07 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 3djr s VAL 71 Cb -0.15 -2.87 -0.00 0.00 0.00 0.00 0.00 36.38 33.36 3djr s VAL 71 CO -0.02 0.32 -0.09 -0.70 0.00 0.00 0.00 175.10 174.61 3djr s GLU 72 N 1.55 3.26 -0.23 2.72 2.12 0.06 0.35 118.70 128.53 3djr s GLU 72 Ca 0.06 -0.69 -0.05 0.00 0.36 0.00 0.00 54.97 54.64 3djr s GLU 72 Cb -0.15 -2.86 -0.02 0.00 0.26 0.00 0.00 34.13 31.36 3djr s GLU 72 CO 0.01 -0.19 0.01 0.42 -0.54 0.00 0.00 175.26 174.97 3djr s ILE 73 N 1.38 3.77 -1.21 -3.70 1.01 0.13 -0.72 121.20 121.86 3djr s ILE 73 Ca 0.05 -0.37 -0.20 0.00 0.00 0.00 0.00 60.65 60.13 3djr s ILE 73 Cb -0.14 -2.74 -0.02 0.00 0.01 0.00 0.00 42.46 39.56 3djr s ILE 73 CO -0.06 0.38 1.89 -0.67 0.00 0.00 0.00 174.94 176.48 3djr n ASP 74 N 4.85 3.82 -0.06 3.58 2.03 -0.10 -1.35 116.55 129.32 3djr n ASP 74 Ca -0.17 -2.80 -0.12 0.00 0.52 0.00 0.00 54.79 52.22 3djr n ASP 74 Cb 0.51 -1.66 -0.00 0.00 -0.72 0.00 0.00 41.12 39.25 3djr n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3djr h THR 75 N 5.49 1.29 -0.41 5.18 1.35 -1.87 -3.12 112.91 120.81 3djr h THR 75 Ca 0.37 -1.70 0.04 0.00 -0.55 0.00 0.00 66.41 64.57 3djr h THR 75 Cb 0.85 1.60 -0.04 0.00 -1.73 0.00 0.00 68.15 68.83 3djr h THR 75 CO 1.48 0.55 0.18 0.50 -0.25 0.00 0.00 175.52 177.98 3djr h LYS 76 N 0.62 0.37 -0.32 4.72 3.64 -1.71 -1.33 116.57 122.56 3djr h LYS 76 Ca 0.03 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 3djr h LYS 76 Cb 1.08 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.80 3djr h LYS 76 CO 0.11 0.24 -0.15 0.77 -2.27 0.00 0.00 179.45 178.15 3djr h SER 77 N 0.38 0.55 0.39 4.20 0.02 -1.88 -1.42 113.55 115.79 3djr h SER 77 Ca 0.18 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 3djr h SER 77 Cb 0.11 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.51 3djr h SER 77 CO -0.14 0.72 -0.18 0.22 -1.14 0.00 0.00 176.83 176.30 3djr h TYR 78 N 0.51 -0.48 -0.59 3.45 3.20 -1.36 -1.64 116.97 120.06 3djr h TYR 78 Ca 0.09 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 3djr h TYR 78 Cb 0.55 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.96 3djr h TYR 78 CO 0.02 -0.24 0.33 -1.49 -1.64 0.00 0.00 178.16 175.14 3djr h TRP 79 N -0.63 0.81 -0.92 -3.82 -0.00 -1.14 -2.65 115.95 107.60 3djr h TRP 79 Ca -0.05 -0.02 0.04 0.00 -0.00 0.00 0.00 58.89 58.86 3djr h TRP 79 Cb 0.46 -0.26 -0.05 0.00 -0.00 0.00 0.00 29.16 29.30 3djr h TRP 79 CO -0.02 0.58 0.59 0.87 -0.00 0.00 0.00 178.44 180.46 3djr h LYS 80 N 0.80 1.11 -0.07 0.49 1.57 -1.21 0.14 116.57 119.40 3djr h LYS 80 Ca 0.21 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.94 3djr h LYS 80 Cb 0.04 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.09 3djr h LYS 80 CO -0.03 0.74 0.06 0.00 -0.57 0.00 0.00 179.45 179.64 3djr h ALA 81 N 1.38 2.00 -0.08 3.86 0.00 -0.94 0.33 119.26 125.81 3djr h ALA 81 Ca 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3djr h ALA 81 Cb 0.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3djr h ALA 81 CO -0.12 -0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.31 3djr n LEU 82 N -4.41 1.74 -0.58 0.00 4.77 -0.10 -4.94 117.00 113.47 3djr n LEU 82 Ca -0.01 -0.64 -0.07 0.00 -0.03 0.00 0.00 56.01 55.26 3djr n LEU 82 Cb 0.16 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 3djr n LEU 82 CO 0.33 0.32 -0.07 0.61 -1.33 0.00 0.00 177.39 177.25 3djr n GLY 83 N 1.19 0.69 3.36 -0.72 0.00 0.11 -5.02 105.19 104.79 3djr n GLY 83 Ca 0.18 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 3djr n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3djr s ILE 84 N -2.27 3.07 -0.45 -0.61 1.01 -0.38 -5.01 121.20 116.56 3djr s ILE 84 Ca 0.00 -0.64 -0.29 0.00 0.00 0.00 0.00 60.65 59.72 3djr s ILE 84 Cb 0.00 -2.31 0.03 0.00 0.01 0.00 0.00 42.46 40.19 3djr s ILE 84 CO 0.00 0.51 1.15 -0.55 0.00 0.00 0.00 174.94 176.05 3djr s SER 85 N 0.54 6.65 0.37 3.58 0.15 -1.26 -3.82 113.70 119.91 3djr s SER 85 Ca -0.08 0.56 0.02 0.00 0.70 0.00 0.00 55.95 57.16 3djr s SER 85 Cb -0.16 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 61.59 3djr s SER 85 CO 0.04 -1.22 0.55 -2.16 1.20 0.00 0.00 173.24 171.65 3djr s PRO 86 N 4.38 3.24 -0.15 5.44 0.04 -1.26 -4.84 135.00 141.85 3djr s PRO 86 Ca 0.48 -0.60 -0.09 0.00 0.04 0.00 0.00 61.00 60.83 3djr s PRO 86 Cb -0.08 -2.69 -0.24 0.00 0.04 0.00 0.00 34.50 31.53 3djr s PRO 86 CO 0.30 0.01 0.27 0.34 0.04 0.00 0.00 177.00 177.96 3djr n PHE 87 N -1.81 1.09 -3.16 0.56 7.35 -0.25 -4.95 117.46 116.29 3djr n PHE 87 Ca -0.02 0.27 -0.37 0.00 -0.76 0.00 0.00 57.45 56.57 3djr n PHE 87 Cb 0.57 -1.14 -0.06 0.00 0.35 0.00 0.00 39.48 39.21 3djr n PHE 87 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 3djr s HIS 88 N -2.52 3.72 0.24 -5.13 3.76 -1.26 -4.96 115.29 109.14 3djr s HIS 88 Ca -0.25 1.35 -0.02 0.00 -0.15 0.00 0.00 55.06 55.99 3djr s HIS 88 Cb 0.07 -2.57 0.27 0.00 1.11 0.00 0.00 32.58 31.45 3djr s HIS 88 CO 0.72 0.44 1.68 0.93 -0.85 0.00 0.00 174.74 177.66 3djr h GLU 89 N 3.84 0.71 -1.98 1.40 4.39 -1.98 -3.36 114.58 117.61 3djr h GLU 89 Ca -0.48 -0.26 0.27 0.00 0.34 0.00 0.00 59.36 59.22 3djr h GLU 89 Cb 1.20 -0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 29.72 3djr h GLU 89 CO 0.65 0.85 0.72 -3.38 -1.16 0.00 0.00 179.01 176.69 3djr s HIS 90 N -4.67 -0.02 -0.11 4.33 -3.43 -1.26 -4.00 115.29 106.11 3djr s HIS 90 Ca -0.09 -0.18 -0.02 0.00 -0.80 0.00 0.00 55.06 53.96 3djr s HIS 90 Cb 0.14 0.60 -0.03 0.00 -1.43 0.00 0.00 32.58 31.85 3djr s HIS 90 CO 0.82 -0.52 -0.02 0.00 -2.00 0.00 0.00 174.74 173.01 3djr s ALA 91 N -2.48 3.12 -0.06 -1.38 0.00 -0.45 -4.90 121.76 115.61 3djr s ALA 91 Ca 0.18 -0.82 0.06 0.00 0.00 0.00 0.00 51.96 51.38 3djr s ALA 91 Cb 0.01 -1.48 -0.01 0.00 0.00 0.00 0.00 23.12 21.64 3djr s ALA 91 CO -0.00 0.42 -0.24 -1.21 0.00 0.00 0.00 175.76 174.72 3djr s GLU 92 N -0.31 2.48 -0.20 0.00 2.02 -1.26 0.21 118.70 121.63 3djr s GLU 92 Ca 0.06 -0.87 0.01 0.00 0.02 0.00 0.00 54.97 54.19 3djr s GLU 92 Cb -0.12 -2.09 0.04 0.00 0.10 0.00 0.00 34.13 32.06 3djr s GLU 92 CO 0.02 0.36 -0.10 0.08 0.02 0.00 0.00 175.26 175.64 3djr s VAL 93 N -0.12 1.66 -0.14 2.63 1.01 0.15 -4.96 120.40 120.63 3djr s VAL 93 Ca -0.04 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 60.91 3djr s VAL 93 Cb -0.14 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 3djr s VAL 93 CO 0.04 0.17 -0.15 -0.69 0.00 0.00 0.00 175.10 174.46 3djr s VAL 94 N 1.39 2.77 0.22 2.92 1.01 -1.26 -0.44 120.40 127.00 3djr s VAL 94 Ca -0.01 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.15 3djr s VAL 94 Cb -0.16 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 3djr s VAL 94 CO -0.08 0.52 0.28 0.72 0.00 0.00 0.00 175.10 176.54 3djr s PHE 95 N 0.59 0.78 -0.19 5.22 -0.71 -0.08 -5.00 117.98 118.58 3djr s PHE 95 Ca -0.09 -1.07 -0.06 0.00 -1.04 0.00 0.00 56.93 54.67 3djr s PHE 95 Cb -0.16 -0.22 -0.03 0.00 -1.21 0.00 0.00 43.02 41.40 3djr s PHE 95 CO 0.03 -0.79 0.04 0.99 -1.34 0.00 0.00 175.22 174.15 3djr s THR 96 N -4.09 4.41 -0.39 -4.49 2.01 -1.26 -1.41 115.64 110.42 3djr s THR 96 Ca 0.31 -0.16 -0.24 0.00 0.31 0.00 0.00 61.69 61.90 3djr s THR 96 Cb 0.04 -2.99 0.02 0.00 0.01 0.00 0.00 72.50 69.57 3djr s THR 96 CO 0.10 0.44 0.85 0.00 -0.69 0.00 0.00 174.62 175.31 3djr s ALA 97 N 0.71 3.38 -0.24 7.40 0.00 -0.14 -4.97 121.76 127.91 3djr s ALA 97 Ca 0.02 -0.65 -0.07 0.00 0.00 0.00 0.00 51.96 51.26 3djr s ALA 97 Cb -0.14 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 3djr s ALA 97 CO 0.02 -1.65 0.06 1.21 0.00 0.00 0.00 175.76 175.40 3djr s ASN 98 N 1.94 5.12 -0.55 0.00 3.84 -1.26 -2.75 114.94 121.29 3djr s ASN 98 Ca 0.34 -0.19 -0.28 0.00 0.21 0.00 0.00 52.86 52.94 3djr s ASN 98 Cb -0.12 -1.91 0.01 0.00 -0.55 0.00 0.00 41.25 38.67 3djr s ASN 98 CO 0.19 -0.01 1.47 -0.62 -2.79 0.00 0.00 177.10 175.34 3djr s ASP 99 N 1.49 6.05 0.00 -4.21 -1.08 -1.26 -4.82 116.67 112.83 3djr s ASP 99 Ca 0.06 0.36 0.00 0.00 -0.52 0.00 0.00 52.55 52.45 3djr s ASP 99 Cb -0.15 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.77 3djr s ASP 99 CO 0.03 -1.76 0.00 -1.20 0.52 0.00 0.00 175.17 172.76 3djr n SER 100 N 9.87 0.00 -4.95 -0.34 7.64 -1.26 -5.10 113.62 119.47 3djr n SER 100 Ca 0.14 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.79 3djr n SER 100 Cb 0.49 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.68 3djr n SER 100 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3djr s GLY 101 N -3.13 1.37 -0.83 0.23 0.00 -1.26 -5.00 107.32 98.69 3djr s GLY 101 Ca 0.00 -1.03 -0.25 0.00 0.00 0.00 0.00 44.72 43.44 3djr s GLY 101 CO 0.00 -0.96 2.00 2.56 0.00 0.00 0.00 173.10 176.69 3djr s PRO 102 N -4.28 2.44 -0.07 2.90 0.04 -1.26 -4.91 135.00 129.85 3djr s PRO 102 Ca 0.41 -0.02 -0.02 0.00 0.04 0.00 0.00 61.00 61.40 3djr s PRO 102 Cb -0.10 -4.92 -0.03 0.00 0.04 0.00 0.00 34.50 29.49 3djr s PRO 102 CO 0.35 -3.40 0.03 1.03 0.04 0.00 0.00 177.00 175.05 3djr s ARG 103 N 7.26 3.04 -0.08 4.56 3.00 -1.26 -4.56 118.95 130.91 3djr s ARG 103 Ca 0.73 -0.39 -0.11 0.00 0.00 0.00 0.00 55.73 55.96 3djr s ARG 103 Cb -0.09 -2.85 -0.05 0.00 0.00 0.00 0.00 34.95 31.97 3djr s ARG 103 CO 0.04 0.70 0.27 1.03 0.00 0.00 0.00 175.30 177.35 3djr s ARG 104 N -1.05 3.78 -0.19 3.54 0.52 0.52 -4.89 118.95 121.17 3djr s ARG 104 Ca 0.15 0.12 -0.05 0.00 -0.52 0.00 0.00 55.73 55.43 3djr s ARG 104 Cb -0.11 -3.24 -0.03 0.00 0.52 0.00 0.00 34.95 32.08 3djr s ARG 104 CO 0.04 0.65 0.00 0.71 0.02 0.00 0.00 175.30 176.73 3djr s TYR 105 N -0.79 3.06 -0.21 -0.53 1.51 -0.16 -1.49 117.35 118.74 3djr s TYR 105 Ca 0.19 -0.38 -0.04 0.00 -1.01 0.00 0.00 57.07 55.83 3djr s TYR 105 Cb -0.14 -2.07 -0.01 0.00 -0.11 0.00 0.00 41.96 39.63 3djr s TYR 105 CO 0.08 -0.17 -0.03 0.99 -1.11 0.00 0.00 175.55 175.30 3djr s THR 106 N 0.86 3.56 -0.38 -0.71 2.01 -0.13 0.09 115.64 120.93 3djr s THR 106 Ca 0.01 -0.44 -0.15 0.00 0.31 0.00 0.00 61.69 61.42 3djr s THR 106 Cb -0.14 -2.60 0.00 0.00 0.01 0.00 0.00 72.50 69.77 3djr s THR 106 CO 0.02 0.43 0.30 -0.63 -0.69 0.00 0.00 174.62 174.06 3djr s ILE 107 N 1.21 5.24 -0.11 1.82 -1.09 0.23 -1.01 121.20 127.48 3djr s ILE 107 Ca 0.03 -0.39 -0.06 0.00 -2.23 0.00 0.00 60.65 58.00 3djr s ILE 107 Cb -0.14 -3.86 -0.04 0.00 -1.58 0.00 0.00 42.46 36.84 3djr s ILE 107 CO -0.01 -0.20 0.10 0.00 -1.23 0.00 0.00 174.94 173.61 3djr s ALA 108 N 1.79 3.72 -0.04 9.38 0.00 0.82 -0.86 121.76 136.57 3djr s ALA 108 Ca 0.07 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.37 3djr s ALA 108 Cb -0.18 -1.85 0.01 0.00 0.00 0.00 0.00 23.12 21.10 3djr s ALA 108 CO 0.11 0.59 -0.10 0.00 0.00 0.00 0.00 175.76 176.36 3djr s ALA 109 N -0.93 1.00 -0.24 0.00 0.00 0.57 -1.02 121.76 121.14 3djr s ALA 109 Ca 0.14 -0.35 -0.05 0.00 0.00 0.00 0.00 51.96 51.70 3djr s ALA 109 Cb -0.12 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 3djr s ALA 109 CO 0.03 0.13 0.00 -1.17 0.00 0.00 0.00 175.76 174.76 3djr s LEU 110 N 0.37 3.17 -0.09 0.00 2.96 0.05 -0.47 118.68 124.68 3djr s LEU 110 Ca -0.07 -0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 53.43 3djr s LEU 110 Cb -0.11 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 3djr s LEU 110 CO 0.01 -0.05 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.19 3djr s LEU 111 N 1.51 3.30 0.14 -0.68 1.43 0.51 -1.63 118.68 123.26 3djr s LEU 111 Ca 0.05 0.00 0.05 0.00 -1.03 0.00 0.00 54.13 53.21 3djr s LEU 111 Cb -0.15 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 3djr s LEU 111 CO -0.01 0.33 -0.11 -0.44 0.23 0.00 0.00 176.35 176.35 3djr s SER 112 N -0.59 1.86 0.25 2.29 0.01 -0.28 -0.12 113.70 117.12 3djr s SER 112 Ca 0.09 -0.96 -0.04 0.00 1.31 0.00 0.00 55.95 56.35 3djr s SER 112 Cb -0.12 -0.03 0.49 0.00 0.21 0.00 0.00 66.02 66.57 3djr s SER 112 CO 0.02 -0.28 1.71 -0.65 0.41 0.00 0.00 173.24 174.45 3djr h PRO 113 N 2.95 0.38 -0.27 12.44 0.11 -1.98 -2.88 132.00 142.76 3djr h PRO 113 Ca -0.37 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3djr h PRO 113 Cb 1.19 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3djr h PRO 113 CO 0.60 0.25 0.00 0.66 -0.21 0.00 0.00 178.00 179.30 3djr n TYR 114 N -5.05 0.69 -3.54 0.65 4.02 -1.26 -1.09 117.16 111.58 3djr n TYR 114 Ca 0.15 -0.73 -0.17 0.00 -0.01 0.00 0.00 57.90 57.14 3djr n TYR 114 Cb 0.45 -0.19 -0.06 0.00 -0.02 0.00 0.00 39.34 39.52 3djr n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3djr s SER 115 N -1.59 -0.60 0.05 7.72 0.15 -1.09 -4.97 113.70 113.38 3djr s SER 115 Ca 0.33 0.61 -0.08 0.00 0.70 0.00 0.00 55.95 57.50 3djr s SER 115 Cb 0.24 0.52 -0.00 0.00 -1.71 0.00 0.00 66.02 65.07 3djr s SER 115 CO 0.11 -0.61 0.17 -0.72 1.20 0.00 0.00 173.24 173.39 3djr s TYR 116 N -1.35 0.12 0.14 3.44 -0.85 -1.26 -1.13 117.35 116.45 3djr s TYR 116 Ca -0.11 -0.42 0.08 0.00 -0.52 0.00 0.00 57.07 56.10 3djr s TYR 116 Cb -0.01 -0.06 -0.04 0.00 0.38 0.00 0.00 41.96 42.23 3djr s TYR 116 CO 0.08 -0.45 -0.17 -1.54 -1.52 0.00 0.00 175.55 171.94 3djr s SER 117 N -2.35 2.42 0.00 -0.18 1.04 -0.65 -4.97 113.70 109.01 3djr s SER 117 Ca -0.02 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.60 3djr s SER 117 Cb 0.01 -0.12 -0.00 0.00 0.10 0.00 0.00 66.02 66.00 3djr s SER 117 CO -0.06 -0.06 -0.01 0.28 0.98 0.00 0.00 173.24 174.37 3djr s THR 118 N -1.92 0.05 0.02 2.02 -1.32 -1.26 -0.77 115.64 112.46 3djr s THR 118 Ca 0.12 -0.17 0.02 0.00 -1.21 0.00 0.00 61.69 60.45 3djr s THR 118 Cb -0.06 -0.08 -0.01 0.00 -1.51 0.00 0.00 72.50 70.83 3djr s THR 118 CO 0.05 -0.07 -0.06 -0.89 -2.21 0.00 0.00 174.62 171.43 3djr s THR 119 N -0.25 0.48 -0.18 5.08 2.01 -0.19 -4.98 115.64 117.61 3djr s THR 119 Ca -0.02 -0.59 -0.06 0.00 0.31 0.00 0.00 61.69 61.32 3djr s THR 119 Cb -0.02 -0.47 -0.03 0.00 0.01 0.00 0.00 72.50 71.99 3djr s THR 119 CO -0.00 -0.09 0.03 0.00 -0.69 0.00 0.00 174.62 173.87 3djr s ALA 120 N -0.65 3.23 -0.31 7.40 0.00 -1.26 -0.12 121.76 130.05 3djr s ALA 120 Ca -0.03 -0.83 -0.03 0.00 0.00 0.00 0.00 51.96 51.06 3djr s ALA 120 Cb -0.05 -1.82 0.04 0.00 0.00 0.00 0.00 23.12 21.28 3djr s ALA 120 CO 0.00 0.08 0.03 0.08 0.00 0.00 0.00 175.76 175.95 3djr s VAL 121 N 0.57 3.23 -0.28 0.00 1.01 -0.18 -4.97 120.40 119.78 3djr s VAL 121 Ca 0.01 -1.26 -0.07 0.00 0.00 0.00 0.00 61.98 60.67 3djr s VAL 121 Cb -0.13 -2.82 -0.00 0.00 0.00 0.00 0.00 36.38 33.42 3djr s VAL 121 CO 0.02 -0.09 0.07 -0.69 0.00 0.00 0.00 175.10 174.41 3djr s VAL 122 N 1.31 4.02 0.06 2.92 1.01 -1.26 -0.96 120.40 127.50 3djr s VAL 122 Ca -0.04 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.46 3djr s VAL 122 Cb -0.19 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 3djr s VAL 122 CO -0.00 0.16 -0.17 0.42 0.00 0.00 0.00 175.10 175.51 3djr s THR 123 N 1.53 1.40 -2.00 3.92 -4.23 -0.56 -4.97 115.64 110.74 3djr s THR 123 Ca 0.04 -1.19 0.03 0.00 -1.18 0.00 0.00 61.69 59.39 3djr s THR 123 Cb -0.16 -1.26 0.09 0.00 1.34 0.00 0.00 72.50 72.51 3djr s THR 123 CO 0.02 0.04 0.67 0.59 -0.54 0.00 0.00 174.62 175.41