#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dgd h PRO 11 N 0.00 0.00 -3.38 0.00 0.11 -1.91 -3.42 132.00 123.40 3dgd h PRO 11 Ca 0.00 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.82 3dgd h PRO 11 Cb 0.00 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 30.77 3dgd h PRO 11 CO 0.00 0.14 -0.69 -1.17 -0.21 0.00 0.00 178.00 176.07 3dgd s LEU 12 N -7.74 0.73 0.03 2.35 2.96 -1.26 -0.80 118.68 114.96 3dgd s LEU 12 Ca -0.03 0.14 0.04 0.00 -0.22 0.00 0.00 54.13 54.06 3dgd s LEU 12 Cb 0.14 0.07 -0.02 0.00 0.50 0.00 0.00 46.19 46.88 3dgd s LEU 12 CO 0.62 -0.16 -0.13 -0.32 -1.32 0.00 0.00 176.35 175.04 3dgd s MET 13 N 1.38 0.87 -0.07 1.98 -2.45 -0.19 -4.34 119.30 116.49 3dgd s MET 13 Ca -0.06 -0.70 0.05 0.00 -1.25 0.00 0.00 55.69 53.73 3dgd s MET 13 Cb -0.12 -0.86 -0.01 0.00 1.25 0.00 0.00 34.83 35.09 3dgd s MET 13 CO -0.04 0.21 -0.24 0.08 1.05 0.00 0.00 175.02 176.08 3dgd s VAL 14 N -0.82 2.02 -0.04 10.11 1.01 -1.03 -0.80 120.40 130.85 3dgd s VAL 14 Ca 0.01 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 60.98 3dgd s VAL 14 Cb -0.07 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.59 3dgd s VAL 14 CO 0.01 0.56 -0.10 -0.75 0.00 0.00 0.00 175.10 174.82 3dgd s LYS 15 N -0.03 1.25 -0.10 2.72 2.20 0.26 -0.34 119.74 125.70 3dgd s LYS 15 Ca -0.07 -0.35 0.02 0.00 -0.36 0.00 0.00 55.97 55.20 3dgd s LYS 15 Cb -0.15 -1.12 0.01 0.00 -1.51 0.00 0.00 37.83 35.07 3dgd s LYS 15 CO 0.05 0.08 -0.15 0.08 -0.36 0.00 0.00 175.35 175.05 3dgd s VAL 16 N 0.39 1.47 0.05 4.02 1.01 0.26 -0.32 120.40 127.29 3dgd s VAL 16 Ca -0.08 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.35 3dgd s VAL 16 Cb -0.12 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 3dgd s VAL 16 CO 0.02 0.43 -0.18 -0.76 0.00 0.00 0.00 175.10 174.61 3dgd s LEU 17 N 0.95 2.65 -0.53 3.92 1.02 -0.06 -1.19 118.68 125.43 3dgd s LEU 17 Ca -0.08 -0.44 -0.17 0.00 0.02 0.00 0.00 54.13 53.46 3dgd s LEU 17 Cb -0.15 -1.54 0.10 0.00 0.02 0.00 0.00 46.19 44.62 3dgd s LEU 17 CO -0.01 0.24 0.55 -0.62 0.02 0.00 0.00 176.35 176.54 3dgd s ASP 18 N -1.57 6.18 0.38 2.29 -1.08 0.40 -0.95 116.67 122.32 3dgd s ASP 18 Ca 0.15 -1.43 0.28 0.00 -0.52 0.00 0.00 52.55 51.03 3dgd s ASP 18 Cb -0.11 -2.24 1.13 0.00 -1.46 0.00 0.00 42.92 40.24 3dgd s ASP 18 CO 0.06 -0.89 1.82 0.00 0.52 0.00 0.00 175.17 176.69 3dgd h ALA 19 N 8.96 1.00 0.20 3.66 0.00 -1.33 -0.19 119.26 131.56 3dgd h ALA 19 Ca -0.29 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.30 3dgd h ALA 19 Cb 1.10 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.91 3dgd h ALA 19 CO 1.01 0.00 -1.50 0.28 0.00 0.00 0.00 179.25 179.04 3dgd h VAL 20 N 0.00 1.15 0.00 0.00 2.07 -1.92 -3.38 116.25 114.17 3dgd h VAL 20 Ca 0.00 -2.58 0.00 0.00 0.82 0.00 0.00 66.70 64.94 3dgd h VAL 20 Cb 0.44 2.92 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 3dgd h VAL 20 CO 0.00 0.81 -1.00 0.54 0.02 0.00 0.00 177.57 177.93 3dgd n ARG 21 N -3.75 0.73 -2.32 1.57 1.74 -1.21 -5.00 116.66 108.42 3dgd n ARG 21 Ca -0.20 -0.02 -0.04 0.00 -0.77 0.00 0.00 57.85 56.82 3dgd n ARG 21 Cb 1.04 -1.40 0.02 0.00 -1.02 0.00 0.00 32.46 31.10 3dgd n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dgd n GLY 22 N 1.44 0.26 3.41 -0.13 0.00 -0.11 -5.05 105.19 105.01 3dgd n GLY 22 Ca 0.03 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 3dgd n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dgd s SER 23 N -3.30 -0.27 0.77 1.61 1.04 -1.06 -5.01 113.70 107.47 3dgd s SER 23 Ca 0.00 -0.37 -0.14 0.00 0.48 0.00 0.00 55.95 55.92 3dgd s SER 23 Cb -0.00 0.53 0.06 0.00 0.10 0.00 0.00 66.02 66.71 3dgd s SER 23 CO 0.16 -0.95 1.22 -2.84 0.98 0.00 0.00 173.24 171.81 3dgd s PRO 24 N -3.83 1.89 -0.49 4.02 0.02 -1.26 -0.45 135.00 134.90 3dgd s PRO 24 Ca 0.06 1.80 -0.17 0.00 0.02 0.00 0.00 61.00 62.71 3dgd s PRO 24 Cb 0.00 -1.80 0.07 0.00 0.02 0.00 0.00 34.50 32.79 3dgd s PRO 24 CO -0.08 -2.03 0.49 0.00 -0.33 0.00 0.00 177.00 175.05 3dgd s ALA 25 N -2.01 3.48 0.00 -1.55 0.00 -0.33 -4.58 121.76 116.78 3dgd s ALA 25 Ca 0.75 -1.95 -0.01 0.00 0.00 0.00 0.00 51.96 50.75 3dgd s ALA 25 Cb -0.30 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 3dgd s ALA 25 CO 0.48 -1.85 0.11 0.96 0.00 0.00 0.00 175.76 175.46 3dgd s ILE 26 N 2.07 4.89 -1.10 0.00 -4.36 -1.26 -4.28 121.20 117.16 3dgd s ILE 26 Ca 0.09 -0.37 -0.06 0.00 -0.26 0.00 0.00 60.65 60.04 3dgd s ILE 26 Cb -0.22 -3.26 0.01 0.00 1.25 0.00 0.00 42.46 40.24 3dgd s ILE 26 CO 0.09 0.33 0.96 -3.20 0.24 0.00 0.00 174.94 173.36 3dgd n ASN 27 N 1.07 -5.18 -4.55 4.36 5.15 -0.44 -4.95 115.26 110.72 3dgd n ASN 27 Ca -0.12 -0.45 -0.34 0.00 -0.60 0.00 0.00 54.58 53.07 3dgd n ASN 27 Cb 0.53 -4.25 -0.11 0.00 -0.53 0.00 0.00 39.78 35.42 3dgd n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3dgd s VAL 28 N -3.27 4.07 0.27 3.44 1.01 -1.26 -4.82 120.40 119.84 3dgd s VAL 28 Ca 0.42 -0.30 -0.29 0.00 0.00 0.00 0.00 61.98 61.81 3dgd s VAL 28 Cb -0.19 -2.77 -0.09 0.00 0.00 0.00 0.00 36.38 33.33 3dgd s VAL 28 CO 0.60 0.51 1.16 0.00 0.00 0.00 0.00 175.10 177.37 3dgd s ALA 29 N 0.08 3.43 -0.06 5.51 0.00 -1.26 -1.17 121.76 128.29 3dgd s ALA 29 Ca 0.01 0.97 0.02 0.00 0.00 0.00 0.00 51.96 52.96 3dgd s ALA 29 Cb -0.13 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.63 3dgd s ALA 29 CO 0.02 -0.29 -0.11 0.08 0.00 0.00 0.00 175.76 175.47 3dgd s VAL 30 N -0.89 1.01 -0.01 0.00 1.01 0.36 -0.58 120.40 121.30 3dgd s VAL 30 Ca 0.47 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 62.07 3dgd s VAL 30 Cb -0.33 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 3dgd s VAL 30 CO 0.42 0.32 -0.14 -1.00 0.00 0.00 0.00 175.10 174.70 3dgd s HIS 31 N 0.60 2.69 -0.06 5.22 3.76 0.36 -1.46 115.29 126.39 3dgd s HIS 31 Ca -0.12 -0.17 0.04 0.00 -0.15 0.00 0.00 55.06 54.67 3dgd s HIS 31 Cb -0.14 -1.57 -0.00 0.00 1.11 0.00 0.00 32.58 31.97 3dgd s HIS 31 CO 0.03 0.24 -0.19 0.08 -0.85 0.00 0.00 174.74 174.04 3dgd s VAL 32 N -0.84 1.65 0.19 -0.90 1.01 0.86 -0.34 120.40 122.03 3dgd s VAL 32 Ca 0.14 -0.81 0.10 0.00 0.00 0.00 0.00 61.98 61.40 3dgd s VAL 32 Cb -0.11 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 3dgd s VAL 32 CO 0.03 0.47 -0.20 -0.36 0.00 0.00 0.00 175.10 175.04 3dgd s PHE 33 N 0.19 1.99 -0.03 5.22 0.08 0.10 -0.38 117.98 125.15 3dgd s PHE 33 Ca -0.09 -0.43 0.07 0.00 0.12 0.00 0.00 56.93 56.60 3dgd s PHE 33 Cb -0.14 -0.97 -0.02 0.00 -0.57 0.00 0.00 43.02 41.31 3dgd s PHE 33 CO 0.04 0.42 -0.25 0.50 -0.10 0.00 0.00 175.22 175.83 3dgd s ARG 34 N -2.87 2.20 -0.20 0.44 3.52 -0.36 -0.80 118.95 120.87 3dgd s ARG 34 Ca 0.19 -0.91 -0.29 0.00 -0.13 0.00 0.00 55.73 54.59 3dgd s ARG 34 Cb -0.06 -2.08 -0.02 0.00 -1.56 0.00 0.00 34.95 31.23 3dgd s ARG 34 CO 0.08 0.54 1.44 0.21 -0.81 0.00 0.00 175.30 176.77 3dgd s LYS 35 N -0.56 4.00 0.72 5.12 2.47 0.33 -0.68 119.74 131.14 3dgd s LYS 35 Ca 0.08 1.62 -0.05 0.00 -1.56 0.00 0.00 55.97 56.06 3dgd s LYS 35 Cb -0.11 -3.92 0.09 0.00 -1.46 0.00 0.00 37.83 32.44 3dgd s LYS 35 CO -0.00 -1.03 1.01 0.00 0.16 0.00 0.00 175.35 175.49 3dgd s ALA 36 N 4.37 3.28 0.48 3.13 0.00 -0.50 -4.71 121.76 127.81 3dgd s ALA 36 Ca 0.63 -1.20 0.16 0.00 0.00 0.00 0.00 51.96 51.55 3dgd s ALA 36 Cb -0.23 -2.41 1.17 0.00 0.00 0.00 0.00 23.12 21.65 3dgd s ALA 36 CO 0.24 -1.40 2.05 0.00 0.00 0.00 0.00 175.76 176.65 3dgd h ALA 37 N -0.61 2.08 -0.19 0.00 0.00 -1.95 -1.75 119.26 116.84 3dgd h ALA 37 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3dgd h ALA 37 Cb 1.29 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3dgd h ALA 37 CO 0.52 -0.15 0.00 -0.40 0.00 0.00 0.00 179.25 179.22 3dgd n ASP 38 N -4.47 1.42 -2.12 0.00 5.68 -1.26 -4.91 116.55 110.89 3dgd n ASP 38 Ca 0.04 -1.77 -0.12 0.00 -0.50 0.00 0.00 54.79 52.44 3dgd n ASP 38 Cb 0.28 -0.12 0.04 0.00 -1.14 0.00 0.00 41.12 40.18 3dgd n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3dgd n ASP 39 N 0.19 -4.04 -4.64 -1.12 8.00 -0.66 -5.02 116.55 109.26 3dgd n ASP 39 Ca 0.14 -0.28 -0.23 0.00 0.71 0.00 0.00 54.79 55.12 3dgd n ASP 39 Cb 0.27 -2.85 -0.07 0.00 -0.02 0.00 0.00 41.12 38.44 3dgd n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3dgd s THR 40 N -3.17 3.26 -0.29 -3.53 -4.23 -1.26 -4.92 115.64 101.51 3dgd s THR 40 Ca 0.27 -1.92 -0.22 0.00 -1.18 0.00 0.00 61.69 58.65 3dgd s THR 40 Cb -0.12 -2.83 -0.01 0.00 1.34 0.00 0.00 72.50 70.89 3dgd s THR 40 CO 0.38 -0.33 0.70 0.26 -0.54 0.00 0.00 174.62 175.09 3dgd s TRP 41 N -2.37 3.23 -0.10 3.99 0.52 -1.26 -1.41 118.94 121.54 3dgd s TRP 41 Ca 0.32 0.75 -0.16 0.00 0.02 0.00 0.00 56.10 57.03 3dgd s TRP 41 Cb -0.05 -3.05 -0.05 0.00 -1.15 0.00 0.00 33.47 29.17 3dgd s TRP 41 CO 0.20 -0.48 0.42 -2.00 0.02 0.00 0.00 176.95 175.11 3dgd s GLU 42 N 2.74 4.22 0.26 4.98 2.12 0.14 -4.88 118.70 128.28 3dgd s GLU 42 Ca 0.29 0.37 -0.31 0.00 0.36 0.00 0.00 54.97 55.68 3dgd s GLU 42 Cb -0.15 -3.38 -0.13 0.00 0.26 0.00 0.00 34.13 30.73 3dgd s GLU 42 CO 0.11 0.30 1.38 -2.30 -0.54 0.00 0.00 175.26 174.21 3dgd n PRO 43 N 3.20 2.03 0.00 4.30 -0.02 -1.26 -1.23 135.00 142.02 3dgd n PRO 43 Ca -0.10 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3dgd n PRO 43 Cb 0.52 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3dgd n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3dgd n PHE 44 N 1.59 0.00 -3.50 6.00 7.35 0.49 -4.79 117.46 124.59 3dgd n PHE 44 Ca 0.10 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.71 3dgd n PHE 44 Cb 0.32 0.02 -0.02 0.00 0.35 0.00 0.00 39.48 40.16 3dgd n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3dgd s ALA 45 N -1.95 -1.79 0.33 3.13 0.00 -0.90 -5.00 121.76 115.58 3dgd s ALA 45 Ca 0.00 0.91 -0.07 0.00 0.00 0.00 0.00 51.96 52.80 3dgd s ALA 45 Cb 0.00 0.48 0.01 0.00 0.00 0.00 0.00 23.12 23.61 3dgd s ALA 45 CO 0.00 -0.71 0.54 -1.54 0.00 0.00 0.00 175.76 174.05 3dgd s SER 46 N -2.53 0.55 0.00 0.00 1.04 -1.26 -0.10 113.70 111.41 3dgd s SER 46 Ca 0.05 -1.32 0.00 0.00 0.48 0.00 0.00 55.95 55.16 3dgd s SER 46 Cb -0.01 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.80 3dgd s SER 46 CO -0.09 -1.35 0.00 0.61 0.98 0.00 0.00 173.24 173.39 3dgd n GLY 47 N -0.53 -1.23 3.14 7.32 0.00 -0.54 -4.97 105.19 108.39 3dgd n GLY 47 Ca -0.01 -1.00 -0.23 0.00 0.00 0.00 0.00 46.02 44.77 3dgd n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dgd s LYS 48 N -1.00 1.27 0.56 1.61 1.02 -1.26 -0.49 119.74 121.45 3dgd s LYS 48 Ca 0.00 -0.60 -0.19 0.00 0.02 0.00 0.00 55.97 55.20 3dgd s LYS 48 Cb 0.00 -1.24 -0.05 0.00 -0.52 0.00 0.00 37.83 36.03 3dgd s LYS 48 CO 0.00 0.34 1.17 0.95 -0.92 0.00 0.00 175.35 176.89 3dgd s THR 49 N -0.43 2.90 0.27 2.17 -4.23 -0.32 -4.79 115.64 111.21 3dgd s THR 49 Ca 0.06 0.57 -0.04 0.00 -1.18 0.00 0.00 61.69 61.10 3dgd s THR 49 Cb -0.06 -3.23 0.06 0.00 1.34 0.00 0.00 72.50 70.60 3dgd s THR 49 CO -0.00 -0.11 0.37 -1.54 -0.54 0.00 0.00 174.62 172.79 3dgd n SER 50 N -1.39 0.11 0.00 3.99 3.41 -0.05 -1.33 113.62 118.36 3dgd n SER 50 Ca 0.12 -1.18 0.09 0.00 -0.26 0.00 0.00 58.87 57.64 3dgd n SER 50 Cb 0.50 -0.27 0.44 0.00 -0.26 0.00 0.00 64.21 64.61 3dgd n SER 50 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3dgd n GLU 51 N -1.76 0.24 -0.18 4.33 1.02 -1.26 -0.71 120.64 122.31 3dgd n GLU 51 Ca 0.05 0.12 0.11 0.00 -0.02 0.00 0.00 57.16 57.42 3dgd n GLU 51 Cb 0.17 -1.50 0.20 0.00 -0.02 0.00 0.00 31.44 30.29 3dgd n GLU 51 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3dgd n SER 52 N -1.30 3.35 0.00 1.62 3.41 -1.26 -4.83 113.62 114.61 3dgd n SER 52 Ca 0.08 -1.96 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 3dgd n SER 52 Cb 0.14 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 3dgd n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dgd n GLY 53 N 1.37 0.71 3.64 5.00 0.00 0.12 -4.79 105.19 111.23 3dgd n GLY 53 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3dgd n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dgd s GLU 54 N -0.25 2.35 -0.26 1.61 2.02 -1.26 -0.58 118.70 122.33 3dgd s GLU 54 Ca 0.00 -0.95 0.00 0.00 0.02 0.00 0.00 54.97 54.05 3dgd s GLU 54 Cb 0.00 -2.42 0.07 0.00 0.10 0.00 0.00 34.13 31.88 3dgd s GLU 54 CO 0.00 0.52 0.01 -1.17 0.02 0.00 0.00 175.26 174.63 3dgd s LEU 55 N -2.33 2.65 0.33 1.80 2.96 0.53 -0.88 118.68 123.75 3dgd s LEU 55 Ca 0.24 -1.38 0.07 0.00 -0.22 0.00 0.00 54.13 52.83 3dgd s LEU 55 Cb -0.11 -1.10 -0.02 0.00 0.50 0.00 0.00 46.19 45.46 3dgd s LEU 55 CO 0.16 -0.31 0.40 -1.00 -1.32 0.00 0.00 176.35 174.29 3dgd s HIS 56 N 1.43 3.06 -0.03 5.38 3.76 -1.26 -2.46 115.29 125.17 3dgd s HIS 56 Ca 0.01 -0.23 0.00 0.00 -0.15 0.00 0.00 55.06 54.69 3dgd s HIS 56 Cb -0.18 -1.89 0.00 0.00 1.11 0.00 0.00 32.58 31.62 3dgd s HIS 56 CO -0.11 0.10 0.00 0.41 -0.85 0.00 0.00 174.74 174.29 3dgd n GLY 57 N -1.53 0.42 0.25 -2.22 0.00 -1.26 -4.94 105.19 95.91 3dgd n GLY 57 Ca -0.01 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 45.07 3dgd n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dgd h LEU 58 N 0.00 0.77 0.00 0.99 3.38 -1.84 -3.47 115.31 115.13 3dgd h LEU 58 Ca -0.01 -0.22 -0.24 0.00 0.09 0.00 0.00 57.88 57.50 3dgd h LEU 58 Cb 0.02 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.51 3dgd h LEU 58 CO 0.01 0.79 -0.18 1.07 0.09 0.00 0.00 178.44 180.23 3dgd n THR 59 N -4.46 0.00 -4.42 0.22 5.66 -1.26 -4.82 114.28 105.20 3dgd n THR 59 Ca 0.02 -1.36 -0.21 0.00 -3.05 0.00 0.00 64.05 59.44 3dgd n THR 59 Cb 0.22 0.77 -0.10 0.00 -1.55 0.00 0.00 70.33 69.67 3dgd n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3dgd s THR 60 N -2.77 1.87 0.41 1.09 -4.23 -1.26 -4.64 115.64 106.11 3dgd s THR 60 Ca 0.22 -2.21 0.15 0.00 -1.18 0.00 0.00 61.69 58.67 3dgd s THR 60 Cb 0.00 -2.31 0.35 0.00 1.34 0.00 0.00 72.50 71.88 3dgd s THR 60 CO 0.16 -0.40 1.89 -0.08 -0.54 0.00 0.00 174.62 175.65 3dgd h GLU 61 N 2.34 0.46 0.00 3.99 4.22 -2.00 -0.52 114.58 123.08 3dgd h GLU 61 Ca -0.40 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.02 3dgd h GLU 61 Cb 1.24 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3dgd h GLU 61 CO 0.65 0.31 -0.25 -1.91 -2.18 0.00 0.00 179.01 175.62 3dgd n GLU 62 N -4.51 0.02 -0.07 1.92 2.13 -1.26 -2.43 120.64 116.44 3dgd n GLU 62 Ca 0.16 0.01 -0.04 0.00 0.66 0.00 0.00 57.16 57.96 3dgd n GLU 62 Cb 0.56 -1.52 -0.15 0.00 0.27 0.00 0.00 31.44 30.60 3dgd n GLU 62 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3dgd n GLU 63 N -1.55 0.90 -2.37 5.31 1.02 -0.90 -4.78 120.64 118.27 3dgd n GLU 63 Ca 0.06 -0.06 -0.43 0.00 -0.02 0.00 0.00 57.16 56.72 3dgd n GLU 63 Cb 0.34 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 3dgd n GLU 63 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3dgd n PHE 64 N -2.54 3.94 -1.83 -0.32 7.35 -0.25 -4.95 117.46 118.85 3dgd n PHE 64 Ca -0.22 -2.98 -0.29 0.00 -0.76 0.00 0.00 57.45 53.19 3dgd n PHE 64 Cb 0.93 -2.31 0.12 0.00 0.35 0.00 0.00 39.48 38.57 3dgd n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3dgd s VAL 65 N 2.21 1.99 0.24 -2.13 -7.23 -1.26 -4.94 120.40 109.28 3dgd s VAL 65 Ca 0.45 0.00 -0.31 0.00 -1.81 0.00 0.00 61.98 60.32 3dgd s VAL 65 Cb 0.07 -2.95 -0.14 0.00 0.56 0.00 0.00 36.38 33.91 3dgd s VAL 65 CO -0.00 0.00 1.23 1.21 -0.31 0.00 0.00 175.10 177.23 3dgd n GLU 66 N -3.51 1.60 -3.62 4.82 2.13 -1.26 -4.85 120.64 115.95 3dgd n GLU 66 Ca 0.09 0.57 0.00 0.00 0.66 0.00 0.00 57.16 58.48 3dgd n GLU 66 Cb 0.60 -2.10 0.00 0.00 0.27 0.00 0.00 31.44 30.21 3dgd n GLU 66 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dgd n GLY 67 N 1.80 -1.60 3.51 8.31 0.00 -0.94 -5.01 105.19 111.26 3dgd n GLY 67 Ca 0.12 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.69 3dgd n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dgd s ILE 68 N -2.70 3.89 0.06 -0.61 -1.09 -1.26 -0.39 121.20 119.09 3dgd s ILE 68 Ca 0.00 -0.36 0.07 0.00 -2.23 0.00 0.00 60.65 58.13 3dgd s ILE 68 Cb 0.00 -2.70 -0.03 0.00 -1.58 0.00 0.00 42.46 38.15 3dgd s ILE 68 CO 0.00 0.50 -0.20 -0.31 -1.23 0.00 0.00 174.94 173.70 3dgd s TYR 69 N 0.29 1.74 -0.10 3.97 2.02 -0.01 -0.51 117.35 124.75 3dgd s TYR 69 Ca -0.03 -0.38 0.04 0.00 -0.37 0.00 0.00 57.07 56.32 3dgd s TYR 69 Cb -0.14 -1.01 -0.00 0.00 -0.40 0.00 0.00 41.96 40.40 3dgd s TYR 69 CO 0.03 0.12 -0.24 0.21 -1.57 0.00 0.00 175.55 174.10 3dgd s LYS 70 N -1.37 3.00 -0.17 -0.62 2.20 0.02 -0.77 119.74 122.03 3dgd s LYS 70 Ca 0.06 -0.88 -0.05 0.00 -0.36 0.00 0.00 55.97 54.74 3dgd s LYS 70 Cb -0.09 -2.29 -0.03 0.00 -1.51 0.00 0.00 37.83 33.91 3dgd s LYS 70 CO 0.02 0.20 0.00 0.08 -0.36 0.00 0.00 175.35 175.30 3dgd s VAL 71 N 0.28 4.22 -0.14 4.02 1.01 0.25 -0.73 120.40 129.32 3dgd s VAL 71 Ca -0.17 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 61.60 3dgd s VAL 71 Cb -0.17 -2.88 0.01 0.00 0.00 0.00 0.00 36.38 33.34 3dgd s VAL 71 CO 0.08 0.47 -0.21 -1.61 0.00 0.00 0.00 175.10 173.83 3dgd s GLU 72 N 0.45 2.95 -0.20 2.72 2.02 0.54 -1.03 118.70 126.16 3dgd s GLU 72 Ca -0.01 -0.83 -0.06 0.00 0.02 0.00 0.00 54.97 54.09 3dgd s GLU 72 Cb -0.14 -2.40 -0.03 0.00 0.10 0.00 0.00 34.13 31.67 3dgd s GLU 72 CO 0.02 -0.03 0.03 0.42 0.02 0.00 0.00 175.26 175.72 3dgd s ILE 73 N 0.85 4.27 -0.01 -1.63 1.01 0.97 -0.49 121.20 126.17 3dgd s ILE 73 Ca -0.06 -0.21 -0.30 0.00 0.00 0.00 0.00 60.65 60.08 3dgd s ILE 73 Cb -0.15 -2.94 -0.05 0.00 0.01 0.00 0.00 42.46 39.33 3dgd s ILE 73 CO -0.03 0.42 1.42 -1.81 0.00 0.00 0.00 174.94 174.95 3dgd s ASP 74 N 0.89 6.84 0.00 3.58 1.11 0.25 -1.00 116.67 128.34 3dgd s ASP 74 Ca 0.02 2.10 0.00 0.00 0.18 0.00 0.00 52.55 54.86 3dgd s ASP 74 Cb -0.14 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.29 3dgd s ASP 74 CO 0.02 -0.74 0.10 0.35 1.18 0.00 0.00 175.17 176.08 3dgd n THR 75 N 4.77 0.00 0.26 -1.27 -2.24 -0.16 -4.67 114.28 110.97 3dgd n THR 75 Ca 0.14 -0.39 -0.16 0.00 -2.27 0.00 0.00 64.05 61.36 3dgd n THR 75 Cb 0.44 1.06 -0.08 0.00 -2.10 0.00 0.00 70.33 69.64 3dgd n THR 75 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3dgd h LYS 76 N 0.00 -0.72 0.00 -0.78 1.63 -1.73 -2.26 116.57 112.71 3dgd h LYS 76 Ca 0.00 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 3dgd h LYS 76 Cb 0.03 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 3dgd h LYS 76 CO 0.00 -0.48 0.00 0.43 -3.45 0.00 0.00 179.45 175.95 3dgd n SER 77 N -5.45 0.23 0.01 4.20 7.64 -1.26 -4.17 113.62 114.82 3dgd n SER 77 Ca -0.11 0.53 -0.03 0.00 1.01 0.00 0.00 58.87 60.27 3dgd n SER 77 Cb 0.35 -0.59 0.21 0.00 -1.01 0.00 0.00 64.21 63.16 3dgd n SER 77 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 3dgd h TYR 78 N 0.00 0.56 -0.40 1.43 3.20 -1.71 -2.19 116.97 117.85 3dgd h TYR 78 Ca 0.00 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.75 3dgd h TYR 78 Cb 0.49 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 3dgd h TYR 78 CO 0.00 0.69 0.01 0.91 -1.64 0.00 0.00 178.16 178.13 3dgd n TRP 79 N -4.14 1.45 -0.33 -3.82 8.01 -1.26 -4.63 117.44 112.73 3dgd n TRP 79 Ca -0.00 -0.85 0.12 0.00 -1.31 0.00 0.00 57.50 55.46 3dgd n TRP 79 Cb 0.39 -0.41 0.33 0.00 -2.01 0.00 0.00 31.31 29.60 3dgd n TRP 79 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.69 176.46 3dgd h LYS 80 N 2.67 0.76 0.00 -0.99 3.64 -1.59 0.88 116.57 121.94 3dgd h LYS 80 Ca 0.02 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3dgd h LYS 80 Cb 1.70 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 33.35 3dgd h LYS 80 CO 0.35 0.50 -0.07 0.00 -2.27 0.00 0.00 179.45 177.97 3dgd h ALA 81 N 1.60 1.22 -0.65 5.00 0.00 -1.82 0.76 119.26 125.38 3dgd h ALA 81 Ca 0.52 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.32 3dgd h ALA 81 Cb 0.77 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3dgd h ALA 81 CO -0.29 0.09 0.23 -0.07 0.00 0.00 0.00 179.25 179.21 3dgd h LEU 82 N 0.00 0.93 0.00 0.00 3.38 0.45 -3.47 115.31 116.60 3dgd h LEU 82 Ca -0.00 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3dgd h LEU 82 Cb 0.26 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3dgd h LEU 82 CO 0.01 0.87 0.00 0.61 0.09 0.00 0.00 178.44 180.02 3dgd n GLY 83 N -0.77 1.05 3.11 0.83 0.00 0.26 -5.12 105.19 104.55 3dgd n GLY 83 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 3dgd n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dgd s ILE 84 N -2.00 1.25 -0.10 -0.61 -1.09 -1.22 -5.05 121.20 112.39 3dgd s ILE 84 Ca 0.00 -0.63 -0.14 0.00 -2.23 0.00 0.00 60.65 57.65 3dgd s ILE 84 Cb 0.00 -1.08 -0.05 0.00 -1.58 0.00 0.00 42.46 39.75 3dgd s ILE 84 CO 0.00 0.37 0.34 -0.94 -1.23 0.00 0.00 174.94 173.48 3dgd s SER 85 N 0.00 6.58 1.00 3.58 1.04 -1.26 -4.36 113.70 120.28 3dgd s SER 85 Ca -0.02 0.69 -0.17 0.00 0.48 0.00 0.00 55.95 56.93 3dgd s SER 85 Cb -0.10 -2.21 0.22 0.00 0.10 0.00 0.00 66.02 64.03 3dgd s SER 85 CO 0.01 0.17 1.30 -2.16 0.98 0.00 0.00 173.24 173.55 3dgd s PRO 86 N -0.07 0.35 0.00 4.02 0.04 -1.26 -4.95 135.00 133.13 3dgd s PRO 86 Ca 0.20 -0.39 0.22 0.00 0.04 0.00 0.00 61.00 61.07 3dgd s PRO 86 Cb -0.14 -1.81 0.98 0.00 0.04 0.00 0.00 34.50 33.56 3dgd s PRO 86 CO 0.08 -2.62 1.69 0.00 0.04 0.00 0.00 177.00 176.19 3dgd n MET 87 N -3.91 0.10 -3.52 4.56 0.00 0.11 -4.78 117.12 109.67 3dgd n MET 87 Ca 0.15 0.11 -0.08 0.00 0.00 0.00 0.00 57.70 57.88 3dgd n MET 87 Cb 0.59 -1.50 -0.03 0.00 0.00 0.00 0.00 33.22 32.29 3dgd n MET 87 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 3dgd s HIS 88 N -2.86 -0.33 -0.71 3.17 5.65 -1.26 -5.02 115.29 113.92 3dgd s HIS 88 Ca 0.14 0.27 0.22 0.00 0.25 0.00 0.00 55.06 55.94 3dgd s HIS 88 Cb 0.14 0.52 0.88 0.00 -1.18 0.00 0.00 32.58 32.94 3dgd s HIS 88 CO 0.37 -0.48 1.67 -0.85 -0.65 0.00 0.00 174.74 174.80 3dgd n GLU 89 N -0.07 0.13 -4.26 2.88 0.00 -1.26 -4.52 120.64 113.53 3dgd n GLU 89 Ca -0.08 0.31 -0.18 0.00 0.00 0.00 0.00 57.16 57.21 3dgd n GLU 89 Cb 0.61 -1.73 -0.11 0.00 0.00 0.00 0.00 31.44 30.21 3dgd n GLU 89 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 3dgd s HIS 90 N -3.17 1.44 -0.14 -1.84 3.76 -1.26 -0.99 115.29 113.09 3dgd s HIS 90 Ca 0.07 -0.59 -0.06 0.00 -0.15 0.00 0.00 55.06 54.33 3dgd s HIS 90 Cb 0.11 -0.73 -0.04 0.00 1.11 0.00 0.00 32.58 33.02 3dgd s HIS 90 CO 0.40 0.17 0.08 0.00 -0.85 0.00 0.00 174.74 174.54 3dgd s ALA 91 N -2.48 3.55 0.06 -1.40 0.00 -0.17 -4.85 121.76 116.46 3dgd s ALA 91 Ca 0.13 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.38 3dgd s ALA 91 Cb -0.03 -1.83 -0.03 0.00 0.00 0.00 0.00 23.12 21.23 3dgd s ALA 91 CO 0.03 0.43 -0.07 -1.83 0.00 0.00 0.00 175.76 174.33 3dgd s GLU 92 N -0.42 0.60 -0.09 0.00 4.04 -1.26 -0.02 118.70 121.55 3dgd s GLU 92 Ca 0.10 -0.95 -0.14 0.00 0.04 0.00 0.00 54.97 54.02 3dgd s GLU 92 Cb -0.12 -0.19 0.03 0.00 0.02 0.00 0.00 34.13 33.87 3dgd s GLU 92 CO 0.02 0.01 0.35 0.54 -1.84 0.00 0.00 175.26 174.34 3dgd s VAL 93 N -2.23 0.02 -0.14 1.83 0.11 -0.19 -5.02 120.40 114.77 3dgd s VAL 93 Ca -0.03 -0.16 -0.04 0.00 -2.93 0.00 0.00 61.98 58.83 3dgd s VAL 93 Cb -0.04 -0.55 -0.03 0.00 -1.53 0.00 0.00 36.38 34.22 3dgd s VAL 93 CO -0.02 -0.09 -0.00 -0.69 -3.33 0.00 0.00 175.10 170.97 3dgd s VAL 94 N -0.34 4.21 0.03 2.04 1.01 -1.26 -0.58 120.40 125.51 3dgd s VAL 94 Ca -0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 3dgd s VAL 94 Cb -0.03 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 3dgd s VAL 94 CO 0.02 0.53 -0.02 0.72 0.00 0.00 0.00 175.10 176.34 3dgd s PHE 95 N -0.09 0.36 -0.22 5.22 -0.12 0.05 -4.99 117.98 118.19 3dgd s PHE 95 Ca 0.04 -0.74 -0.13 0.00 -0.05 0.00 0.00 56.93 56.04 3dgd s PHE 95 Cb -0.13 -0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 41.95 3dgd s PHE 95 CO 0.02 -0.28 0.29 0.99 -0.05 0.00 0.00 175.22 176.19 3dgd s THR 96 N -2.51 5.28 -0.02 -4.49 2.01 -1.26 -0.83 115.64 113.82 3dgd s THR 96 Ca -0.06 0.46 0.03 0.00 0.31 0.00 0.00 61.69 62.42 3dgd s THR 96 Cb -0.02 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 3dgd s THR 96 CO -0.05 0.30 -0.07 0.00 -0.69 0.00 0.00 174.62 174.11 3dgd s ALA 97 N 1.18 2.99 -1.89 7.40 0.00 0.47 -4.78 121.76 127.14 3dgd s ALA 97 Ca 0.14 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.11 3dgd s ALA 97 Cb -0.14 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 21.83 3dgd s ALA 97 CO 0.06 0.60 0.00 0.09 0.00 0.00 0.00 175.76 176.51 3dgd n ASN 98 N 1.74 -5.40 0.00 0.00 3.02 -1.26 -2.20 115.26 111.16 3dgd n ASN 98 Ca -0.16 0.29 0.13 0.00 -0.03 0.00 0.00 54.58 54.81 3dgd n ASN 98 Cb 0.53 -4.53 0.62 0.00 -0.61 0.00 0.00 39.78 35.78 3dgd n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3dgd n ASP 99 N -1.32 0.00 -0.63 6.41 5.75 -1.26 -2.24 116.55 123.25 3dgd n ASP 99 Ca -0.21 0.26 0.06 0.00 -0.01 0.00 0.00 54.79 54.90 3dgd n ASP 99 Cb 0.65 -0.42 0.16 0.00 -1.03 0.00 0.00 41.12 40.48 3dgd n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3dgd n SER 100 N -1.42 1.65 0.00 -1.12 7.64 -1.26 -5.10 113.62 114.02 3dgd n SER 100 Ca 0.09 -3.42 0.00 0.00 1.01 0.00 0.00 58.87 56.55 3dgd n SER 100 Cb 0.28 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 3dgd n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dgd n GLY 101 N -0.90 2.75 3.77 0.23 0.00 -0.95 -5.04 105.19 105.05 3dgd n GLY 101 Ca 0.16 -2.03 -0.40 0.00 0.00 0.00 0.00 46.02 43.75 3dgd n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3dgd s PRO 102 N -2.59 4.11 0.19 1.61 0.02 -1.26 -4.33 135.00 132.75 3dgd s PRO 102 Ca 0.00 2.38 -0.04 0.00 0.02 0.00 0.00 61.00 63.36 3dgd s PRO 102 Cb 0.00 -2.93 -0.03 0.00 0.02 0.00 0.00 34.50 31.56 3dgd s PRO 102 CO 0.00 -0.46 0.19 1.03 -0.33 0.00 0.00 177.00 177.43 3dgd s ARG 103 N -2.07 1.21 -0.08 5.54 1.81 -1.26 -4.65 118.95 119.44 3dgd s ARG 103 Ca 0.53 -1.48 -0.01 0.00 -1.72 0.00 0.00 55.73 53.05 3dgd s ARG 103 Cb -0.43 0.31 -0.03 0.00 -0.45 0.00 0.00 34.95 34.35 3dgd s ARG 103 CO 0.57 -0.41 -0.01 1.03 -0.68 0.00 0.00 175.30 175.79 3dgd s ARG 104 N -4.09 2.93 -0.08 3.54 0.52 -0.29 -4.91 118.95 116.57 3dgd s ARG 104 Ca 0.31 -0.44 0.04 0.00 -0.52 0.00 0.00 55.73 55.13 3dgd s ARG 104 Cb 0.05 -2.75 -0.00 0.00 0.52 0.00 0.00 34.95 32.78 3dgd s ARG 104 CO 0.08 0.69 -0.22 0.71 0.02 0.00 0.00 175.30 176.58 3dgd s TYR 105 N -0.86 2.35 -0.19 -0.53 2.02 0.02 -0.69 117.35 119.47 3dgd s TYR 105 Ca 0.13 -0.87 -0.02 0.00 -0.37 0.00 0.00 57.07 55.94 3dgd s TYR 105 Cb -0.11 -1.57 -0.01 0.00 -0.40 0.00 0.00 41.96 39.87 3dgd s TYR 105 CO 0.02 -0.34 -0.09 0.99 -1.57 0.00 0.00 175.55 174.56 3dgd s THR 106 N 0.23 3.05 -0.34 -0.71 2.01 0.17 -1.03 115.64 119.02 3dgd s THR 106 Ca -0.14 -0.62 -0.13 0.00 0.31 0.00 0.00 61.69 61.12 3dgd s THR 106 Cb -0.16 -2.35 -0.01 0.00 0.01 0.00 0.00 72.50 69.99 3dgd s THR 106 CO 0.07 0.47 0.24 -0.63 -0.69 0.00 0.00 174.62 174.08 3dgd s ILE 107 N 1.13 5.23 -0.14 1.82 -1.09 0.02 -0.40 121.20 127.76 3dgd s ILE 107 Ca 0.01 -0.27 -0.00 0.00 -2.23 0.00 0.00 60.65 58.15 3dgd s ILE 107 Cb -0.14 -3.70 -0.01 0.00 -1.58 0.00 0.00 42.46 37.02 3dgd s ILE 107 CO -0.03 -0.03 -0.13 0.00 -1.23 0.00 0.00 174.94 173.52 3dgd s ALA 108 N 1.71 2.59 -0.07 9.38 0.00 0.25 -0.58 121.76 135.05 3dgd s ALA 108 Ca 0.06 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 51.12 3dgd s ALA 108 Cb -0.18 -1.24 -0.00 0.00 0.00 0.00 0.00 23.12 21.70 3dgd s ALA 108 CO 0.10 0.14 -0.22 0.00 0.00 0.00 0.00 175.76 175.77 3dgd s ALA 109 N 0.54 1.97 -0.26 0.00 0.00 0.57 -0.85 121.76 123.73 3dgd s ALA 109 Ca -0.09 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 50.98 3dgd s ALA 109 Cb -0.16 -0.67 0.07 0.00 0.00 0.00 0.00 23.12 22.37 3dgd s ALA 109 CO 0.04 0.34 -0.05 1.41 0.00 0.00 0.00 175.76 177.50 3dgd s MET 110 N 0.06 1.73 -0.12 0.00 0.00 0.97 -0.89 119.30 121.06 3dgd s MET 110 Ca -0.08 -1.23 -0.02 0.00 0.00 0.00 0.00 55.69 54.37 3dgd s MET 110 Cb -0.15 -2.73 -0.03 0.00 0.00 0.00 0.00 34.83 31.93 3dgd s MET 110 CO 0.05 -0.66 -0.06 -0.51 0.00 0.00 0.00 175.02 173.83 3dgd s LEU 111 N 1.25 3.14 0.28 4.11 1.43 -0.12 -2.00 118.68 126.76 3dgd s LEU 111 Ca -0.03 -0.12 0.05 0.00 -1.03 0.00 0.00 54.13 52.99 3dgd s LEU 111 Cb -0.19 -1.72 -0.06 0.00 0.03 0.00 0.00 46.19 44.25 3dgd s LEU 111 CO -0.07 0.24 -0.01 -0.44 0.23 0.00 0.00 176.35 176.30 3dgd s SER 112 N -0.06 2.36 0.33 2.29 0.01 -0.31 -0.96 113.70 117.37 3dgd s SER 112 Ca 0.00 -1.25 0.04 0.00 1.31 0.00 0.00 55.95 56.06 3dgd s SER 112 Cb -0.13 -0.09 0.67 0.00 0.21 0.00 0.00 66.02 66.68 3dgd s SER 112 CO 0.03 -0.47 1.91 -0.65 0.41 0.00 0.00 173.24 174.47 3dgd h PRO 113 N 2.29 0.83 0.00 12.44 0.11 -1.98 -2.96 132.00 142.73 3dgd h PRO 113 Ca -0.40 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 3dgd h PRO 113 Cb 1.23 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3dgd h PRO 113 CO 0.67 0.55 -0.12 0.66 -0.21 0.00 0.00 178.00 179.55 3dgd n TYR 114 N -4.51 0.00 -3.64 0.65 4.01 -1.26 -0.72 117.16 111.70 3dgd n TYR 114 Ca 0.14 -0.95 -0.08 0.00 -0.16 0.00 0.00 57.90 56.86 3dgd n TYR 114 Cb 0.28 -0.15 -0.07 0.00 -0.31 0.00 0.00 39.34 39.09 3dgd n TYR 114 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3dgd s SER 115 N -2.72 -0.88 -0.02 7.72 0.15 -1.12 -4.98 113.70 111.85 3dgd s SER 115 Ca 0.29 1.44 -0.08 0.00 0.70 0.00 0.00 55.95 58.31 3dgd s SER 115 Cb 0.26 1.38 0.01 0.00 -1.71 0.00 0.00 66.02 65.96 3dgd s SER 115 CO 0.01 -0.23 0.17 -0.72 1.20 0.00 0.00 173.24 173.67 3dgd s TYR 116 N 1.42 -0.07 -0.17 3.44 1.13 -1.26 -1.16 117.35 120.68 3dgd s TYR 116 Ca -0.08 0.13 0.00 0.00 -1.41 0.00 0.00 57.07 55.71 3dgd s TYR 116 Cb -0.05 0.01 0.03 0.00 -1.10 0.00 0.00 41.96 40.85 3dgd s TYR 116 CO -0.16 -0.23 -0.11 -1.12 -2.51 0.00 0.00 175.55 171.41 3dgd s SER 117 N -0.86 3.02 0.17 -0.18 0.01 -0.85 -4.98 113.70 110.03 3dgd s SER 117 Ca -0.09 -0.69 -0.05 0.00 1.31 0.00 0.00 55.95 56.42 3dgd s SER 117 Cb -0.05 -1.16 -0.02 0.00 0.21 0.00 0.00 66.02 65.00 3dgd s SER 117 CO 0.01 -0.12 0.20 0.28 0.41 0.00 0.00 173.24 174.03 3dgd s THR 118 N 1.47 0.06 -0.28 1.44 -1.32 -1.26 -0.02 115.64 115.73 3dgd s THR 118 Ca 0.01 -1.66 -0.20 0.00 -1.21 0.00 0.00 61.69 58.64 3dgd s THR 118 Cb -0.15 -2.05 0.12 0.00 -1.51 0.00 0.00 72.50 68.92 3dgd s THR 118 CO -0.09 -0.27 0.94 -0.89 -2.21 0.00 0.00 174.62 172.10 3dgd s THR 119 N -4.03 0.00 -0.30 5.08 2.01 -0.03 -4.99 115.64 113.38 3dgd s THR 119 Ca 0.24 0.00 -0.09 0.00 0.31 0.00 0.00 61.69 62.14 3dgd s THR 119 Cb 0.05 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.55 3dgd s THR 119 CO 0.03 0.00 0.14 0.00 -0.69 0.00 0.00 174.62 174.11 3dgd s ALA 120 N 0.92 3.27 -0.31 7.40 0.00 -1.26 -0.58 121.76 131.19 3dgd s ALA 120 Ca -0.04 -1.36 -0.14 0.00 0.00 0.00 0.00 51.96 50.42 3dgd s ALA 120 Cb -0.04 -2.35 -0.03 0.00 0.00 0.00 0.00 23.12 20.70 3dgd s ALA 120 CO -0.12 -0.86 0.31 0.08 0.00 0.00 0.00 175.76 175.17 3dgd s VAL 121 N 1.61 5.22 -0.14 0.00 1.01 0.46 -4.96 120.40 123.59 3dgd s VAL 121 Ca 0.05 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.17 3dgd s VAL 121 Cb -0.17 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.51 3dgd s VAL 121 CO 0.06 0.04 -0.19 -0.69 0.00 0.00 0.00 175.10 174.32 3dgd s VAL 122 N 1.93 1.87 0.10 2.92 1.01 -1.26 -0.65 120.40 126.31 3dgd s VAL 122 Ca 0.10 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.30 3dgd s VAL 122 Cb -0.16 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 3dgd s VAL 122 CO 0.11 0.51 -0.16 0.42 0.00 0.00 0.00 175.10 175.98 3dgd s THR 123 N 1.08 1.33 -0.26 3.92 -4.23 0.13 -4.96 115.64 112.66 3dgd s THR 123 Ca -0.02 -1.49 -0.17 0.00 -1.18 0.00 0.00 61.69 58.82 3dgd s THR 123 Cb -0.14 -1.33 -0.03 0.00 1.34 0.00 0.00 72.50 72.33 3dgd s THR 123 CO -0.06 -0.24 0.49 0.21 -0.54 0.00 0.00 174.62 174.48 3dgd s ASN 124 N -2.00 6.40 0.00 3.99 2.47 -1.26 -1.13 114.94 123.41 3dgd s ASN 124 Ca 0.03 0.49 0.16 0.00 0.42 0.00 0.00 52.86 53.96 3dgd s ASN 124 Cb -0.08 -2.27 0.96 0.00 -1.45 0.00 0.00 41.25 38.41 3dgd s ASN 124 CO 0.03 -0.27 1.37 -2.65 -3.72 0.00 0.00 177.10 171.87