#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 0.64 -3.38 0.00 0.11 -1.89 -3.40 132.00 124.09 3dgd h PRO 11 Ca 0.00 -0.05 -0.29 0.00 0.11 0.00 0.00 66.00 65.77 3dgd h PRO 11 Cb 0.00 -0.14 -0.34 0.00 0.11 0.00 0.00 31.00 30.63 3dgd h PRO 11 CO 0.00 0.46 -0.68 -1.17 -0.21 0.00 0.00 178.00 176.39 3dgd s LEU 12 N -9.51 0.76 0.02 2.35 2.96 -1.26 -0.58 118.68 113.41 3dgd s LEU 12 Ca -0.09 0.15 0.05 0.00 -0.22 0.00 0.00 54.13 54.02 3dgd s LEU 12 Cb 0.17 0.08 -0.02 0.00 0.50 0.00 0.00 46.19 46.92 3dgd s LEU 12 CO 0.75 -0.16 -0.16 -0.32 -1.32 0.00 0.00 176.35 175.14 3dgd s MET 13 N 1.34 1.14 -0.08 1.98 -2.45 -0.19 -4.20 119.30 116.84 3dgd s MET 13 Ca -0.06 -0.68 0.05 0.00 -1.25 0.00 0.00 55.69 53.75 3dgd s MET 13 Cb -0.12 -1.14 -0.00 0.00 1.25 0.00 0.00 34.83 34.81 3dgd s MET 13 CO -0.04 0.30 -0.23 0.08 1.05 0.00 0.00 175.02 176.18 3dgd s VAL 14 N -0.60 1.97 -0.07 10.11 1.01 -0.91 -1.17 120.40 130.74 3dgd s VAL 14 Ca 0.05 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 61.08 3dgd s VAL 14 Cb -0.07 -1.69 -0.00 0.00 0.00 0.00 0.00 36.38 34.62 3dgd s VAL 14 CO 0.00 0.54 -0.20 -0.75 0.00 0.00 0.00 175.10 174.70 3dgd s LYS 15 N 0.18 2.33 -0.10 2.72 2.20 -0.22 0.21 119.74 127.05 3dgd s LYS 15 Ca -0.13 -0.72 0.01 0.00 -0.36 0.00 0.00 55.97 54.77 3dgd s LYS 15 Cb -0.16 -1.89 0.02 0.00 -1.51 0.00 0.00 37.83 34.29 3dgd s LYS 15 CO 0.07 0.21 -0.12 0.08 -0.36 0.00 0.00 175.35 175.23 3dgd s VAL 16 N 0.20 1.30 0.12 4.02 1.01 0.14 -1.02 120.40 126.17 3dgd s VAL 16 Ca -0.10 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.45 3dgd s VAL 16 Cb -0.15 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 3dgd s VAL 16 CO 0.05 0.40 -0.14 -0.76 0.00 0.00 0.00 175.10 174.66 3dgd s LEU 17 N 1.16 2.87 -0.43 3.92 1.43 -0.19 -0.99 118.68 126.45 3dgd s LEU 17 Ca -0.04 -0.50 -0.14 0.00 -1.03 0.00 0.00 54.13 52.42 3dgd s LEU 17 Cb -0.14 -1.67 0.05 0.00 0.03 0.00 0.00 46.19 44.46 3dgd s LEU 17 CO -0.03 0.16 0.32 -0.62 0.23 0.00 0.00 176.35 176.41 3dgd s ASP 18 N -2.30 5.99 0.21 2.29 -1.08 0.57 -1.04 116.67 121.31 3dgd s ASP 18 Ca 0.21 -1.19 0.25 0.00 -0.52 0.00 0.00 52.55 51.29 3dgd s ASP 18 Cb -0.10 -2.12 0.90 0.00 -1.46 0.00 0.00 42.92 40.14 3dgd s ASP 18 CO 0.12 -0.54 1.74 0.00 0.52 0.00 0.00 175.17 177.02 3dgd n ALA 19 N 5.12 1.99 0.06 3.66 0.00 -0.10 -0.80 120.51 130.43 3dgd n ALA 19 Ca -0.12 0.02 -0.22 0.00 0.00 0.00 0.00 53.44 53.12 3dgd n ALA 19 Cb 0.45 -1.42 -0.15 0.00 0.00 0.00 0.00 19.45 18.33 3dgd n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3dgd h VAL 20 N 0.00 1.21 0.00 0.00 2.07 -1.93 -3.37 116.25 114.23 3dgd h VAL 20 Ca 0.00 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 65.01 3dgd h VAL 20 Cb 0.54 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 33.25 3dgd h VAL 20 CO 0.00 0.75 -1.09 0.54 0.02 0.00 0.00 177.57 177.79 3dgd n ARG 21 N -3.90 0.06 -2.46 1.57 1.74 -1.22 -5.00 116.66 107.45 3dgd n ARG 21 Ca -0.20 -0.02 -0.05 0.00 -0.77 0.00 0.00 57.85 56.81 3dgd n ARG 21 Cb 0.94 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.90 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 1.48 0.25 3.19 -0.13 0.00 0.02 -5.05 105.19 104.94 3dgd n GLY 22 Ca 0.03 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 3dgd n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dgd s SER 23 N -3.35 0.26 0.69 1.61 0.01 -1.03 -5.01 113.70 106.88 3dgd s SER 23 Ca 0.02 -1.10 -0.15 0.00 1.31 0.00 0.00 55.95 56.03 3dgd s SER 23 Cb -0.01 0.32 0.01 0.00 0.21 0.00 0.00 66.02 66.55 3dgd s SER 23 CO 0.21 -0.75 1.15 -2.16 0.41 0.00 0.00 173.24 172.09 3dgd s PRO 24 N -4.01 2.54 -0.41 12.44 0.04 -1.26 -0.32 135.00 144.01 3dgd s PRO 24 Ca 0.20 1.54 -0.18 0.00 0.04 0.00 0.00 61.00 62.61 3dgd s PRO 24 Cb 0.07 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.72 3dgd s PRO 24 CO -0.00 -1.48 0.48 0.00 0.04 0.00 0.00 177.00 176.04 3dgd s ALA 25 N -2.19 3.42 -0.07 8.56 0.00 -0.16 -4.58 121.76 126.73 3dgd s ALA 25 Ca 0.70 -1.40 -0.03 0.00 0.00 0.00 0.00 51.96 51.22 3dgd s ALA 25 Cb -0.24 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 3dgd s ALA 25 CO 0.43 -1.57 0.07 0.42 0.00 0.00 0.00 175.76 175.11 3dgd s ILE 26 N 2.28 4.85 -1.33 0.00 1.01 -1.26 -4.33 121.20 122.42 3dgd s ILE 26 Ca 0.15 -0.13 -0.07 0.00 0.00 0.00 0.00 60.65 60.59 3dgd s ILE 26 Cb -0.16 -3.12 0.01 0.00 0.01 0.00 0.00 42.46 39.20 3dgd s ILE 26 CO 0.15 0.54 0.98 -3.20 0.00 0.00 0.00 174.94 173.40 3dgd n ASN 27 N 1.82 -6.08 -4.72 3.58 4.05 -0.14 -4.94 115.26 108.83 3dgd n ASN 27 Ca -0.17 -0.45 -0.35 0.00 0.45 0.00 0.00 54.58 54.06 3dgd n ASN 27 Cb 0.54 -4.75 -0.08 0.00 1.23 0.00 0.00 39.78 36.72 3dgd n ASN 27 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 3dgd s VAL 28 N -3.26 5.14 0.11 3.44 1.01 -1.26 -4.75 120.40 120.82 3dgd s VAL 28 Ca 0.48 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.25 3dgd s VAL 28 Cb -0.21 -3.31 -0.07 0.00 0.00 0.00 0.00 36.38 32.80 3dgd s VAL 28 CO 0.60 0.49 1.20 0.00 0.00 0.00 0.00 175.10 177.39 3dgd s ALA 29 N 0.05 3.41 -0.07 5.51 0.00 -1.26 -1.54 121.76 127.86 3dgd s ALA 29 Ca 0.08 0.89 0.03 0.00 0.00 0.00 0.00 51.96 52.96 3dgd s ALA 29 Cb -0.12 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.58 3dgd s ALA 29 CO 0.00 -0.41 -0.16 0.08 0.00 0.00 0.00 175.76 175.27 3dgd s VAL 30 N 0.65 1.41 -0.09 0.00 1.01 -0.02 -0.95 120.40 122.40 3dgd s VAL 30 Ca 0.57 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.93 3dgd s VAL 30 Cb -0.31 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 3dgd s VAL 30 CO 0.32 0.41 -0.18 -1.00 0.00 0.00 0.00 175.10 174.65 3dgd s HIS 31 N 0.52 2.66 -0.07 5.22 3.76 -0.21 -1.51 115.29 125.66 3dgd s HIS 31 Ca -0.15 -0.66 0.05 0.00 -0.15 0.00 0.00 55.06 54.15 3dgd s HIS 31 Cb -0.16 -1.73 -0.01 0.00 1.11 0.00 0.00 32.58 31.79 3dgd s HIS 31 CO 0.05 -0.18 -0.22 0.08 -0.85 0.00 0.00 174.74 173.62 3dgd s VAL 32 N 0.05 2.32 0.22 -0.90 1.01 0.43 -0.61 120.40 122.91 3dgd s VAL 32 Ca -0.07 -0.96 0.10 0.00 0.00 0.00 0.00 61.98 61.05 3dgd s VAL 32 Cb -0.15 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 3dgd s VAL 32 CO 0.05 0.57 -0.20 -0.36 0.00 0.00 0.00 175.10 175.16 3dgd s PHE 33 N -0.11 2.07 0.00 5.22 0.08 0.09 -0.59 117.98 124.75 3dgd s PHE 33 Ca -0.04 -0.41 0.07 0.00 0.12 0.00 0.00 56.93 56.66 3dgd s PHE 33 Cb -0.14 -0.97 -0.02 0.00 -0.57 0.00 0.00 43.02 41.32 3dgd s PHE 33 CO 0.04 0.50 -0.22 0.50 -0.10 0.00 0.00 175.22 175.95 3dgd s ARG 34 N -3.13 1.65 -0.18 0.44 3.52 -0.45 -0.73 118.95 120.08 3dgd s ARG 34 Ca 0.23 -0.83 -0.29 0.00 -0.13 0.00 0.00 55.73 54.70 3dgd s ARG 34 Cb -0.05 -1.65 -0.02 0.00 -1.56 0.00 0.00 34.95 31.67 3dgd s ARG 34 CO 0.10 0.44 1.31 0.21 -0.81 0.00 0.00 175.30 176.55 3dgd s LYS 35 N -0.72 4.18 0.77 5.12 2.47 0.39 -1.21 119.74 130.74 3dgd s LYS 35 Ca 0.08 1.65 -0.09 0.00 -1.56 0.00 0.00 55.97 56.05 3dgd s LYS 35 Cb -0.08 -3.80 0.09 0.00 -1.46 0.00 0.00 37.83 32.57 3dgd s LYS 35 CO 0.00 -0.79 1.10 0.00 0.16 0.00 0.00 175.35 175.83 3dgd s ALA 36 N 3.70 2.92 0.51 3.13 0.00 0.50 -4.74 121.76 127.78 3dgd s ALA 36 Ca 0.57 -0.95 0.21 0.00 0.00 0.00 0.00 51.96 51.78 3dgd s ALA 36 Cb -0.22 -2.68 1.29 0.00 0.00 0.00 0.00 23.12 21.51 3dgd s ALA 36 CO 0.17 -1.58 2.03 0.00 0.00 0.00 0.00 175.76 176.38 3dgd h ALA 37 N -0.88 2.28 -0.45 0.00 0.00 -1.94 -0.41 119.26 117.87 3dgd h ALA 37 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3dgd h ALA 37 Cb 1.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3dgd h ALA 37 CO 0.57 -0.39 0.00 -0.40 0.00 0.00 0.00 179.25 179.03 3dgd n ASP 38 N -4.44 4.16 0.00 0.00 3.85 -1.26 -4.91 116.55 113.95 3dgd n ASP 38 Ca 0.07 -2.54 0.00 0.00 -0.71 0.00 0.00 54.79 51.60 3dgd n ASP 38 Cb 0.43 -0.58 0.00 0.00 -1.35 0.00 0.00 41.12 39.62 3dgd n ASP 38 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 3dgd n ASP 39 N 0.59 -4.34 -4.93 -1.12 10.43 -0.16 -5.04 116.55 111.98 3dgd n ASP 39 Ca 0.20 0.00 -0.25 0.00 2.57 0.00 0.00 54.79 57.31 3dgd n ASP 39 Cb 0.85 -1.89 0.04 0.00 1.84 0.00 0.00 41.12 41.96 3dgd n ASP 39 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 3dgd s THR 40 N -1.55 3.32 -0.30 -3.53 -4.23 -1.26 -4.77 115.64 103.32 3dgd s THR 40 Ca 0.00 -0.22 -0.21 0.00 -1.18 0.00 0.00 61.69 60.08 3dgd s THR 40 Cb 0.00 -3.31 -0.01 0.00 1.34 0.00 0.00 72.50 70.52 3dgd s THR 40 CO 0.00 -0.30 0.68 0.26 -0.54 0.00 0.00 174.62 174.72 3dgd s TRP 41 N -2.94 3.22 -0.14 3.99 0.52 -1.26 -0.37 118.94 121.95 3dgd s TRP 41 Ca 0.55 0.67 -0.15 0.00 0.02 0.00 0.00 56.10 57.19 3dgd s TRP 41 Cb -0.10 -3.05 -0.05 0.00 -1.15 0.00 0.00 33.47 29.12 3dgd s TRP 41 CO 0.43 -0.49 0.34 -2.00 0.02 0.00 0.00 176.95 175.25 3dgd s GLU 42 N 2.70 4.22 0.31 4.98 2.12 -0.35 -4.88 118.70 127.81 3dgd s GLU 42 Ca 0.27 0.19 -0.29 0.00 0.36 0.00 0.00 54.97 55.50 3dgd s GLU 42 Cb -0.15 -3.40 -0.12 0.00 0.26 0.00 0.00 34.13 30.72 3dgd s GLU 42 CO 0.12 0.27 1.44 -2.30 -0.54 0.00 0.00 175.26 174.25 3dgd n PRO 43 N 3.40 2.37 0.00 4.30 -0.02 -1.26 -1.34 135.00 142.45 3dgd n PRO 43 Ca -0.11 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3dgd n PRO 43 Cb 0.52 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 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 1.16 0.00 -3.60 6.00 7.35 0.24 -4.77 117.46 123.85 3dgd n PHE 44 Ca 0.06 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.66 3dgd n PHE 44 Cb 0.36 0.03 -0.02 0.00 0.35 0.00 0.00 39.48 40.20 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 -1.96 -1.49 0.16 3.13 0.00 -0.79 -5.01 121.76 115.79 3dgd s ALA 45 Ca 0.00 0.24 -0.21 0.00 0.00 0.00 0.00 51.96 51.99 3dgd s ALA 45 Cb 0.00 0.82 0.06 0.00 0.00 0.00 0.00 23.12 24.00 3dgd s ALA 45 CO 0.00 -0.87 0.56 -1.54 0.00 0.00 0.00 175.76 173.91 3dgd s SER 46 N -2.80 -0.48 -0.04 0.00 1.04 -1.26 -0.43 113.70 109.72 3dgd s SER 46 Ca 0.05 -0.09 -0.19 0.00 0.48 0.00 0.00 55.95 56.20 3dgd s SER 46 Cb -0.03 0.58 0.06 0.00 0.10 0.00 0.00 66.02 66.73 3dgd s SER 46 CO -0.05 -0.96 0.83 0.61 0.98 0.00 0.00 173.24 174.66 3dgd n GLY 47 N -0.35 0.26 3.31 7.32 0.00 -0.57 -4.97 105.19 110.20 3dgd n GLY 47 Ca -0.16 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.00 1.97 0.58 1.61 1.02 -1.26 -0.84 119.74 120.82 3dgd s LYS 48 Ca 0.20 -0.97 -0.19 0.00 0.02 0.00 0.00 55.97 55.02 3dgd s LYS 48 Cb -0.00 -1.98 -0.04 0.00 -0.52 0.00 0.00 37.83 35.29 3dgd s LYS 48 CO -0.01 0.53 1.22 0.95 -0.92 0.00 0.00 175.35 177.12 3dgd s THR 49 N -0.66 2.58 0.37 2.17 -4.23 -0.59 -4.76 115.64 110.52 3dgd s THR 49 Ca 0.10 0.37 -0.06 0.00 -1.18 0.00 0.00 61.69 60.93 3dgd s THR 49 Cb -0.10 -3.16 0.08 0.00 1.34 0.00 0.00 72.50 70.67 3dgd s THR 49 CO -0.00 -0.07 0.50 -1.54 -0.54 0.00 0.00 174.62 172.98 3dgd n SER 50 N -1.47 0.08 0.08 3.99 3.41 0.76 -0.96 113.62 119.49 3dgd n SER 50 Ca 0.13 -1.21 0.09 0.00 -0.26 0.00 0.00 58.87 57.63 3dgd n SER 50 Cb 0.49 -0.38 0.40 0.00 -0.26 0.00 0.00 64.21 64.46 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 -2.06 0.11 -0.19 4.33 -0.58 -1.26 -1.12 120.64 119.86 3dgd n GLU 51 Ca 0.06 0.38 0.11 0.00 -0.42 0.00 0.00 57.16 57.29 3dgd n GLU 51 Cb 0.22 -1.72 0.26 0.00 -0.57 0.00 0.00 31.44 29.64 3dgd n GLU 51 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3dgd n SER 52 N -1.92 2.97 0.00 1.62 3.41 -1.26 -4.83 113.62 113.61 3dgd n SER 52 Ca 0.02 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 3dgd n SER 52 Cb 0.18 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 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 1.40 0.61 3.83 5.00 0.00 -0.28 -4.79 105.19 110.96 3dgd n GLY 53 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.02 3.18 -0.32 1.61 2.02 -1.26 -0.69 118.70 123.22 3dgd s GLU 54 Ca 0.00 -0.45 0.02 0.00 0.02 0.00 0.00 54.97 54.56 3dgd s GLU 54 Cb 0.00 -2.93 0.10 0.00 0.10 0.00 0.00 34.13 31.40 3dgd s GLU 54 CO 0.00 0.65 0.06 -1.17 0.02 0.00 0.00 175.26 174.81 3dgd s LEU 55 N -1.90 3.60 0.36 1.80 2.96 0.13 -0.17 118.68 125.46 3dgd s LEU 55 Ca 0.25 -1.87 0.07 0.00 -0.22 0.00 0.00 54.13 52.37 3dgd s LEU 55 Cb -0.12 -1.30 -0.01 0.00 0.50 0.00 0.00 46.19 45.26 3dgd s LEU 55 CO 0.17 -0.38 0.45 -1.00 -1.32 0.00 0.00 176.35 174.27 3dgd s HIS 56 N 1.22 2.96 0.00 5.38 3.76 -1.26 -2.14 115.29 125.20 3dgd s HIS 56 Ca 0.09 -0.31 0.00 0.00 -0.15 0.00 0.00 55.06 54.69 3dgd s HIS 56 Cb -0.18 -2.07 0.00 0.00 1.11 0.00 0.00 32.58 31.44 3dgd s HIS 56 CO -0.14 -0.08 0.00 0.41 -0.85 0.00 0.00 174.74 174.07 3dgd n GLY 57 N -1.63 0.48 0.24 -2.22 0.00 -1.26 -4.96 105.19 95.84 3dgd n GLY 57 Ca 0.02 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 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 0.79 0.00 0.99 3.38 -1.85 -3.48 115.31 115.15 3dgd h LEU 58 Ca 0.00 -0.37 -0.25 0.00 0.09 0.00 0.00 57.88 57.36 3dgd h LEU 58 Cb 0.00 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.47 3dgd h LEU 58 CO 0.00 1.10 -0.13 1.07 0.09 0.00 0.00 178.44 180.57 3dgd n THR 59 N -4.03 0.00 -4.27 0.22 5.66 -1.26 -4.79 114.28 105.81 3dgd n THR 59 Ca -0.02 -1.58 -0.15 0.00 -3.05 0.00 0.00 64.05 59.25 3dgd n THR 59 Cb 0.54 0.98 -0.10 0.00 -1.55 0.00 0.00 70.33 70.20 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 0.72 0.53 1.09 -4.23 -1.26 -4.65 115.64 105.07 3dgd s THR 60 Ca 0.26 -1.99 0.20 0.00 -1.18 0.00 0.00 61.69 58.97 3dgd s THR 60 Cb -0.01 -2.24 0.32 0.00 1.34 0.00 0.00 72.50 71.91 3dgd s THR 60 CO 0.19 -0.37 2.10 -0.33 -0.54 0.00 0.00 174.62 175.67 3dgd h GLU 61 N 2.61 0.00 0.00 3.99 5.08 -2.00 0.88 114.58 125.13 3dgd h GLU 61 Ca -0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 3dgd h GLU 61 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3dgd h GLU 61 CO 0.63 0.00 0.00 -1.91 -1.00 0.00 0.00 179.01 176.73 3dgd n GLU 62 N -4.44 0.00 0.22 2.33 4.07 -1.26 -3.27 120.64 118.29 3dgd n GLU 62 Ca 0.01 0.61 0.07 0.00 -0.06 0.00 0.00 57.16 57.80 3dgd n GLU 62 Cb 0.27 -1.37 0.49 0.00 -0.06 0.00 0.00 31.44 30.76 3dgd n GLU 62 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 3dgd h GLU 63 N 0.00 0.00 -4.12 5.31 5.08 -1.69 -3.37 114.58 115.78 3dgd h GLU 63 Ca 0.00 0.00 -0.76 0.00 -1.00 0.00 0.00 59.36 57.60 3dgd h GLU 63 Cb 0.00 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.04 3dgd h GLU 63 CO 0.00 0.27 1.15 0.34 -1.00 0.00 0.00 179.01 179.77 3dgd n PHE 64 N -3.78 4.61 -2.34 4.33 7.35 0.20 -4.98 117.46 122.86 3dgd n PHE 64 Ca -0.01 -3.39 -0.25 0.00 -0.76 0.00 0.00 57.45 53.04 3dgd n PHE 64 Cb 0.37 -1.96 0.10 0.00 0.35 0.00 0.00 39.48 38.35 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 0.28 2.22 0.49 -2.13 -7.23 -1.26 -4.86 120.40 107.92 3dgd s VAL 65 Ca 0.38 -0.38 -0.21 0.00 -1.81 0.00 0.00 61.98 59.97 3dgd s VAL 65 Cb -0.03 -2.84 -0.10 0.00 0.56 0.00 0.00 36.38 33.98 3dgd s VAL 65 CO -0.01 0.00 0.64 1.21 -0.31 0.00 0.00 175.10 176.63 3dgd n GLU 66 N -2.98 0.70 -3.66 4.82 0.00 -1.26 -4.86 120.64 113.39 3dgd n GLU 66 Ca 0.12 0.26 0.00 0.00 0.00 0.00 0.00 57.16 57.54 3dgd n GLU 66 Cb 0.60 -1.72 0.00 0.00 0.00 0.00 0.00 31.44 30.32 3dgd n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3dgd n GLY 67 N 1.65 -1.05 3.33 8.31 0.00 -1.22 -4.96 105.19 111.25 3dgd n GLY 67 Ca 0.11 -1.27 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.93 3.10 0.04 -0.61 1.01 -1.26 0.04 121.20 120.59 3dgd s ILE 68 Ca 0.00 -0.62 0.08 0.00 0.00 0.00 0.00 60.65 60.12 3dgd s ILE 68 Cb 0.00 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 40.10 3dgd s ILE 68 CO 0.00 0.49 -0.24 -0.31 0.00 0.00 0.00 174.94 174.88 3dgd s TYR 69 N 0.86 2.10 -0.08 3.97 2.02 0.00 -0.46 117.35 125.75 3dgd s TYR 69 Ca -0.03 -0.40 0.04 0.00 -0.37 0.00 0.00 57.07 56.31 3dgd s TYR 69 Cb -0.15 -1.25 -0.01 0.00 -0.40 0.00 0.00 41.96 40.15 3dgd s TYR 69 CO 0.00 0.11 -0.21 0.21 -1.57 0.00 0.00 175.55 174.09 3dgd s LYS 70 N -1.20 2.86 -0.23 -0.62 2.20 0.09 -0.82 119.74 122.01 3dgd s LYS 70 Ca 0.10 -0.83 -0.06 0.00 -0.36 0.00 0.00 55.97 54.82 3dgd s LYS 70 Cb -0.09 -2.32 -0.03 0.00 -1.51 0.00 0.00 37.83 33.88 3dgd s LYS 70 CO 0.02 0.32 0.04 0.08 -0.36 0.00 0.00 175.35 175.45 3dgd s VAL 71 N 0.02 4.17 -0.18 4.02 1.01 -0.87 -0.73 120.40 127.83 3dgd s VAL 71 Ca -0.08 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.68 3dgd s VAL 71 Cb -0.15 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.32 3dgd s VAL 71 CO 0.05 0.38 -0.17 -0.70 0.00 0.00 0.00 175.10 174.66 3dgd s GLU 72 N 1.35 3.08 -0.18 2.72 2.12 0.22 -1.38 118.70 126.64 3dgd s GLU 72 Ca 0.05 -0.79 -0.05 0.00 0.36 0.00 0.00 54.97 54.54 3dgd s GLU 72 Cb -0.15 -2.65 -0.03 0.00 0.26 0.00 0.00 34.13 31.56 3dgd s GLU 72 CO 0.02 -0.18 -0.00 0.42 -0.54 0.00 0.00 175.26 174.98 3dgd s ILE 73 N 1.26 4.12 -0.11 -3.70 1.01 0.88 -1.04 121.20 123.63 3dgd s ILE 73 Ca 0.04 -0.27 -0.30 0.00 0.00 0.00 0.00 60.65 60.12 3dgd s ILE 73 Cb -0.14 -2.84 -0.03 0.00 0.01 0.00 0.00 42.46 39.47 3dgd s ILE 73 CO -0.09 0.46 1.29 -1.81 0.00 0.00 0.00 174.94 174.79 3dgd s ASP 74 N 0.57 6.94 0.00 3.58 1.01 -0.12 -1.06 116.67 127.59 3dgd s ASP 74 Ca -0.01 1.81 0.00 0.00 0.71 0.00 0.00 52.55 55.06 3dgd s ASP 74 Cb -0.14 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.25 3dgd s ASP 74 CO 0.02 -0.72 0.34 0.35 0.21 0.00 0.00 175.17 175.37 3dgd n THR 75 N 5.10 0.00 -0.22 -1.27 -2.24 -0.86 -4.66 114.28 110.13 3dgd n THR 75 Ca 0.13 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 3dgd n THR 75 Cb 0.45 1.23 0.12 0.00 -2.10 0.00 0.00 70.33 70.02 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 0.48 -0.02 -0.78 3.64 -1.79 -2.44 116.57 115.66 3dgd h LYS 76 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3dgd h LYS 76 Cb 0.11 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3dgd h LYS 76 CO 0.00 0.31 -0.04 -1.13 -2.27 0.00 0.00 179.45 176.33 3dgd n SER 77 N -4.94 2.27 -0.30 4.20 3.41 -1.26 -4.42 113.62 112.59 3dgd n SER 77 Ca 0.09 -1.63 0.12 0.00 -0.26 0.00 0.00 58.87 57.19 3dgd n SER 77 Cb 0.26 0.05 0.36 0.00 -0.26 0.00 0.00 64.21 64.63 3dgd n SER 77 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3dgd h TYR 78 N 3.02 0.89 0.00 7.33 3.20 -1.74 -1.63 116.97 128.04 3dgd h TYR 78 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3dgd h TYR 78 Cb 0.66 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.65 3dgd h TYR 78 CO 0.00 0.29 -0.40 0.91 -1.64 0.00 0.00 178.16 177.32 3dgd n TRP 79 N -4.61 0.24 -0.14 -3.82 5.03 -1.25 -4.48 117.44 108.41 3dgd n TRP 79 Ca 0.19 0.07 0.04 0.00 3.03 0.00 0.00 57.50 60.84 3dgd n TRP 79 Cb 0.51 -0.48 0.35 0.00 -1.03 0.00 0.00 31.31 30.66 3dgd n TRP 79 CO 0.00 0.00 0.00 0.87 -0.03 0.00 0.00 177.69 178.53 3dgd h LYS 80 N 0.00 0.73 0.00 -0.99 1.57 -1.52 0.65 116.57 117.02 3dgd h LYS 80 Ca 0.00 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3dgd h LYS 80 Cb 0.59 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 3dgd h LYS 80 CO 0.00 0.48 -0.11 0.00 -0.57 0.00 0.00 179.45 179.25 3dgd h ALA 81 N 1.63 1.26 -0.95 3.86 0.00 -1.79 0.27 119.26 123.54 3dgd h ALA 81 Ca 0.26 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3dgd h ALA 81 Cb 0.08 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 3dgd h ALA 81 CO -0.07 0.14 0.62 -0.07 0.00 0.00 0.00 179.25 179.87 3dgd h LEU 82 N 0.00 1.06 0.00 0.00 3.38 -0.00 -3.47 115.31 116.27 3dgd h LEU 82 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3dgd h LEU 82 Cb 0.34 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3dgd h LEU 82 CO 0.01 0.74 0.00 0.61 0.09 0.00 0.00 178.44 179.90 3dgd n GLY 83 N -1.36 0.84 2.92 0.83 0.00 0.94 -5.10 105.19 104.27 3dgd n GLY 83 Ca 0.12 -0.39 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 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 0.79 -0.13 -0.61 1.01 -1.25 -5.05 121.20 113.96 3dgd s ILE 84 Ca 0.00 -0.24 -0.28 0.00 0.00 0.00 0.00 60.65 60.13 3dgd s ILE 84 Cb 0.00 -0.79 -0.01 0.00 0.01 0.00 0.00 42.46 41.67 3dgd s ILE 84 CO 0.00 0.29 0.96 -0.55 0.00 0.00 0.00 174.94 175.64 3dgd s SER 85 N 1.06 7.15 1.03 3.58 0.15 -1.26 -4.49 113.70 120.93 3dgd s SER 85 Ca -0.08 1.42 -0.17 0.00 0.70 0.00 0.00 55.95 57.81 3dgd s SER 85 Cb -0.14 -2.52 0.23 0.00 -1.71 0.00 0.00 66.02 61.87 3dgd s SER 85 CO -0.01 -0.44 1.30 -2.16 1.20 0.00 0.00 173.24 173.13 3dgd s PRO 86 N 2.10 0.08 0.54 5.44 0.04 -1.26 -4.93 135.00 137.01 3dgd s PRO 86 Ca 0.45 -0.41 0.34 0.00 0.04 0.00 0.00 61.00 61.42 3dgd s PRO 86 Cb -0.18 -1.78 1.49 0.00 0.04 0.00 0.00 34.50 34.07 3dgd s PRO 86 CO 0.16 -2.79 2.01 0.00 0.04 0.00 0.00 177.00 176.42 3dgd h MET 87 N -1.91 0.00 -2.72 4.56 -0.00 -1.13 -3.44 114.93 110.28 3dgd h MET 87 Ca -0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.24 3dgd h MET 87 Cb 1.23 0.00 -0.14 0.00 -0.00 0.00 0.00 31.60 32.70 3dgd h MET 87 CO 0.34 0.00 0.23 -1.58 -0.00 0.00 0.00 176.91 175.90 3dgd s HIS 88 N -3.70 -0.54 -1.41 -0.10 5.65 -1.26 -5.04 115.29 108.88 3dgd s HIS 88 Ca 0.00 0.48 0.24 0.00 0.25 0.00 0.00 55.06 56.04 3dgd s HIS 88 Cb 0.09 0.53 1.21 0.00 -1.18 0.00 0.00 32.58 33.23 3dgd s HIS 88 CO 0.50 -0.77 1.80 -0.85 -0.65 0.00 0.00 174.74 174.77 3dgd n GLU 89 N -0.10 0.33 -4.12 2.88 0.00 -1.26 -4.61 120.64 113.76 3dgd n GLU 89 Ca -0.17 0.06 -0.09 0.00 0.00 0.00 0.00 57.16 56.96 3dgd n GLU 89 Cb 0.63 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 30.47 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 -2.59 0.70 -0.14 -1.84 3.76 -1.26 -2.04 115.29 111.88 3dgd s HIS 90 Ca 0.22 -0.92 -0.05 0.00 -0.15 0.00 0.00 55.06 54.16 3dgd s HIS 90 Cb 0.16 -0.44 -0.04 0.00 1.11 0.00 0.00 32.58 33.37 3dgd s HIS 90 CO 0.37 -0.23 0.05 0.00 -0.85 0.00 0.00 174.74 174.08 3dgd s ALA 91 N -3.44 3.41 0.07 -1.40 0.00 -0.22 -4.88 121.76 115.30 3dgd s ALA 91 Ca 0.07 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.30 3dgd s ALA 91 Cb 0.04 -1.76 -0.03 0.00 0.00 0.00 0.00 23.12 21.37 3dgd s ALA 91 CO -0.06 0.38 -0.09 -1.21 0.00 0.00 0.00 175.76 174.78 3dgd s GLU 92 N -0.24 0.67 -0.20 0.00 2.02 -1.26 -0.08 118.70 119.62 3dgd s GLU 92 Ca 0.07 -0.96 -0.04 0.00 0.02 0.00 0.00 54.97 54.06 3dgd s GLU 92 Cb -0.12 -0.37 0.10 0.00 0.10 0.00 0.00 34.13 33.83 3dgd s GLU 92 CO 0.02 0.06 0.33 0.14 0.02 0.00 0.00 175.26 175.83 3dgd s VAL 93 N -1.98 -0.52 -0.13 2.63 -7.23 -0.48 -4.98 120.40 107.72 3dgd s VAL 93 Ca -0.02 0.07 -0.12 0.00 -1.81 0.00 0.00 61.98 60.09 3dgd s VAL 93 Cb -0.06 -0.66 -0.05 0.00 0.56 0.00 0.00 36.38 36.17 3dgd s VAL 93 CO -0.00 -0.03 0.27 -0.69 -0.31 0.00 0.00 175.10 174.34 3dgd s VAL 94 N 2.50 5.30 0.05 1.32 1.01 -1.26 -2.04 120.40 127.27 3dgd s VAL 94 Ca 0.05 0.51 0.01 0.00 0.00 0.00 0.00 61.98 62.55 3dgd s VAL 94 Cb -0.14 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 3dgd s VAL 94 CO -0.13 0.47 -0.05 0.72 0.00 0.00 0.00 175.10 176.12 3dgd s PHE 95 N -0.10 0.54 -0.28 5.22 -0.12 -0.00 -4.99 117.98 118.25 3dgd s PHE 95 Ca 0.17 -0.72 -0.12 0.00 -0.05 0.00 0.00 56.93 56.21 3dgd s PHE 95 Cb -0.13 -0.35 -0.05 0.00 -0.63 0.00 0.00 43.02 41.86 3dgd s PHE 95 CO 0.05 -0.20 0.26 0.99 -0.05 0.00 0.00 175.22 176.27 3dgd s THR 96 N -2.41 5.26 0.13 -4.49 2.01 -1.26 -0.82 115.64 114.06 3dgd s THR 96 Ca -0.04 0.33 -0.15 0.00 0.31 0.00 0.00 61.69 62.14 3dgd s THR 96 Cb -0.03 -3.59 -0.07 0.00 0.01 0.00 0.00 72.50 68.82 3dgd s THR 96 CO -0.03 0.22 0.54 0.00 -0.69 0.00 0.00 174.62 174.65 3dgd s ALA 97 N 1.87 3.59 0.00 7.40 0.00 0.11 -4.46 121.76 130.27 3dgd s ALA 97 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.94 3dgd s ALA 97 Cb -0.16 -2.52 0.00 0.00 0.00 0.00 0.00 23.12 20.44 3dgd s ALA 97 CO 0.11 0.45 0.00 0.09 0.00 0.00 0.00 175.76 176.41 3dgd n ASN 98 N 0.94 -0.23 0.05 0.00 5.03 -1.26 -3.41 115.26 116.38 3dgd n ASN 98 Ca -0.06 0.00 0.02 0.00 0.87 0.00 0.00 54.58 55.41 3dgd n ASN 98 Cb 0.52 -1.79 0.13 0.00 -1.02 0.00 0.00 39.78 37.62 3dgd n ASN 98 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 3dgd n ASP 99 N -0.03 0.12 -1.40 6.41 3.85 -1.26 0.17 116.55 124.41 3dgd n ASP 99 Ca 0.00 0.44 -0.10 0.00 -0.71 0.00 0.00 54.79 54.43 3dgd n ASP 99 Cb 0.02 -0.44 0.10 0.00 -1.35 0.00 0.00 41.12 39.45 3dgd n ASP 99 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 3dgd n SER 100 N -1.59 3.35 0.00 -1.12 7.64 -1.26 -5.12 113.62 115.51 3dgd n SER 100 Ca -0.00 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 56.13 3dgd n SER 100 Cb 0.16 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 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 -0.87 1.58 3.66 0.23 0.00 0.46 -5.02 105.19 105.23 3dgd n GLY 101 Ca 0.31 -2.03 -0.43 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.03 4.15 0.29 1.61 0.02 -1.26 -4.48 135.00 133.31 3dgd s PRO 102 Ca 0.00 1.80 0.10 0.00 0.02 0.00 0.00 61.00 62.92 3dgd s PRO 102 Cb 0.00 -3.87 -0.06 0.00 0.02 0.00 0.00 34.50 30.60 3dgd s PRO 102 CO 0.00 -0.83 -0.13 1.03 -0.33 0.00 0.00 177.00 176.73 3dgd s ARG 103 N 3.83 1.64 -0.16 5.54 1.81 -1.26 -4.91 118.95 125.44 3dgd s ARG 103 Ca 0.62 -1.80 -0.08 0.00 -1.72 0.00 0.00 55.73 52.75 3dgd s ARG 103 Cb -0.25 -1.53 -0.04 0.00 -0.45 0.00 0.00 34.95 32.67 3dgd s ARG 103 CO 0.21 0.19 0.13 1.03 -0.68 0.00 0.00 175.30 176.18 3dgd s ARG 104 N -3.60 3.77 -0.11 3.54 0.52 -0.18 -4.85 118.95 118.04 3dgd s ARG 104 Ca 0.30 -0.19 0.03 0.00 -0.52 0.00 0.00 55.73 55.35 3dgd s ARG 104 Cb -0.00 -3.28 -0.00 0.00 0.52 0.00 0.00 34.95 32.19 3dgd s ARG 104 CO 0.14 0.55 -0.22 0.71 0.02 0.00 0.00 175.30 176.50 3dgd s TYR 105 N -0.37 2.63 -0.21 -0.53 2.02 0.25 -1.00 117.35 120.14 3dgd s TYR 105 Ca 0.11 -1.06 -0.05 0.00 -0.37 0.00 0.00 57.07 55.71 3dgd s TYR 105 Cb -0.12 -1.76 -0.02 0.00 -0.40 0.00 0.00 41.96 39.66 3dgd s TYR 105 CO 0.01 -0.44 -0.00 0.99 -1.57 0.00 0.00 175.55 174.55 3dgd s THR 106 N 0.46 3.88 -0.41 -0.71 2.01 0.16 -1.02 115.64 120.01 3dgd s THR 106 Ca -0.15 -0.33 -0.14 0.00 0.31 0.00 0.00 61.69 61.38 3dgd s THR 106 Cb -0.17 -2.76 0.03 0.00 0.01 0.00 0.00 72.50 69.61 3dgd s THR 106 CO 0.06 0.42 0.29 -0.63 -0.69 0.00 0.00 174.62 174.06 3dgd s ILE 107 N 1.16 5.08 -0.26 1.82 -1.09 -0.32 -0.47 121.20 127.12 3dgd s ILE 107 Ca 0.03 -0.76 -0.09 0.00 -2.23 0.00 0.00 60.65 57.60 3dgd s ILE 107 Cb -0.14 -3.86 -0.04 0.00 -1.58 0.00 0.00 42.46 36.84 3dgd s ILE 107 CO 0.01 -0.32 0.11 0.00 -1.23 0.00 0.00 174.94 173.51 3dgd s ALA 108 N 1.64 3.31 -0.12 9.38 0.00 -0.63 -1.05 121.76 134.29 3dgd s ALA 108 Ca 0.04 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 50.92 3dgd s ALA 108 Cb -0.20 -2.22 -0.00 0.00 0.00 0.00 0.00 23.12 20.69 3dgd s ALA 108 CO 0.09 -0.49 -0.19 0.00 0.00 0.00 0.00 175.76 175.17 3dgd s ALA 109 N 1.62 2.38 -0.30 0.00 0.00 -0.19 -1.18 121.76 124.10 3dgd s ALA 109 Ca 0.06 -0.96 -0.05 0.00 0.00 0.00 0.00 51.96 51.02 3dgd s ALA 109 Cb -0.15 -1.03 0.03 0.00 0.00 0.00 0.00 23.12 21.97 3dgd s ALA 109 CO 0.06 0.21 0.05 -1.64 0.00 0.00 0.00 175.76 174.43 3dgd s MET 110 N 0.45 2.72 -0.06 0.00 -1.94 -0.27 -1.02 119.30 119.17 3dgd s MET 110 Ca -0.13 -1.09 0.03 0.00 -1.71 0.00 0.00 55.69 52.78 3dgd s MET 110 Cb -0.17 -3.29 -0.03 0.00 2.01 0.00 0.00 34.83 33.35 3dgd s MET 110 CO 0.06 -0.56 -0.12 -0.51 -0.01 0.00 0.00 175.02 173.88 3dgd s LEU 111 N 1.37 2.85 0.27 -0.03 1.43 -0.20 -1.70 118.68 122.68 3dgd s LEU 111 Ca -0.01 -0.15 0.03 0.00 -1.03 0.00 0.00 54.13 52.97 3dgd s LEU 111 Cb -0.19 -1.59 -0.06 0.00 0.03 0.00 0.00 46.19 44.39 3dgd s LEU 111 CO 0.01 0.34 0.04 -0.44 0.23 0.00 0.00 176.35 176.53 3dgd s SER 112 N -0.72 1.93 0.42 2.29 0.01 -0.25 -0.92 113.70 116.45 3dgd s SER 112 Ca 0.11 -1.31 0.11 0.00 1.31 0.00 0.00 55.95 56.17 3dgd s SER 112 Cb -0.11 0.00 0.89 0.00 0.21 0.00 0.00 66.02 67.01 3dgd s SER 112 CO 0.01 -0.58 1.98 -0.65 0.41 0.00 0.00 173.24 174.41 3dgd h PRO 113 N 2.32 0.22 0.00 12.44 0.11 -1.97 -2.96 132.00 142.16 3dgd h PRO 113 Ca -0.39 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 3dgd h PRO 113 Cb 1.24 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3dgd h PRO 113 CO 0.66 0.30 -0.21 0.66 -0.21 0.00 0.00 178.00 179.19 3dgd n TYR 114 N -4.35 0.00 -3.64 0.65 4.01 -1.26 -0.47 117.16 112.09 3dgd n TYR 114 Ca -0.01 -0.79 -0.06 0.00 -0.16 0.00 0.00 57.90 56.88 3dgd n TYR 114 Cb 0.20 -0.14 -0.07 0.00 -0.31 0.00 0.00 39.34 39.03 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 -2.43 -0.90 0.04 7.72 0.15 -1.12 -4.98 113.70 112.18 3dgd s SER 115 Ca 0.25 1.42 -0.04 0.00 0.70 0.00 0.00 55.95 58.28 3dgd s SER 115 Cb 0.23 1.42 -0.02 0.00 -1.71 0.00 0.00 66.02 65.94 3dgd s SER 115 CO 0.00 -0.22 0.06 -0.72 1.20 0.00 0.00 173.24 173.56 3dgd s TYR 116 N 1.69 0.27 -0.03 3.44 1.13 -1.26 -1.09 117.35 121.48 3dgd s TYR 116 Ca -0.10 -0.62 0.00 0.00 -1.41 0.00 0.00 57.07 54.95 3dgd s TYR 116 Cb -0.05 -0.19 -0.03 0.00 -1.10 0.00 0.00 41.96 40.58 3dgd s TYR 116 CO -0.19 -0.36 0.00 -1.12 -2.51 0.00 0.00 175.55 171.37 3dgd s SER 117 N -2.25 5.18 -0.05 -0.18 0.01 -0.69 -4.98 113.70 110.74 3dgd s SER 117 Ca -0.03 0.05 -0.00 0.00 1.31 0.00 0.00 55.95 57.28 3dgd s SER 117 Cb -0.00 -1.40 0.03 0.00 0.21 0.00 0.00 66.02 64.86 3dgd s SER 117 CO -0.06 0.32 -0.01 0.42 0.41 0.00 0.00 173.24 174.32 3dgd s THR 118 N -1.02 0.37 -0.07 1.44 -4.23 -1.26 -1.12 115.64 109.75 3dgd s THR 118 Ca 0.17 0.05 0.05 0.00 -1.18 0.00 0.00 61.69 60.78 3dgd s THR 118 Cb -0.11 -0.48 -0.01 0.00 1.34 0.00 0.00 72.50 73.24 3dgd s THR 118 CO 0.08 0.22 -0.22 -0.89 -0.54 0.00 0.00 174.62 173.27 3dgd s THR 119 N 1.47 2.28 -0.24 3.99 2.01 -0.32 -4.98 115.64 119.85 3dgd s THR 119 Ca -0.03 -0.98 -0.07 0.00 0.31 0.00 0.00 61.69 60.93 3dgd s THR 119 Cb -0.13 -1.86 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 3dgd s THR 119 CO -0.03 0.56 0.05 0.00 -0.69 0.00 0.00 174.62 174.52 3dgd s ALA 120 N -0.07 3.13 -0.30 7.40 0.00 -1.26 -1.60 121.76 129.05 3dgd s ALA 120 Ca -0.06 -1.11 -0.10 0.00 0.00 0.00 0.00 51.96 50.70 3dgd s ALA 120 Cb -0.14 -2.01 -0.02 0.00 0.00 0.00 0.00 23.12 20.95 3dgd s ALA 120 CO 0.05 -0.43 0.15 0.08 0.00 0.00 0.00 175.76 175.61 3dgd s VAL 121 N 1.50 4.71 -0.18 0.00 1.01 0.38 -4.97 120.40 122.85 3dgd s VAL 121 Ca 0.06 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.74 3dgd s VAL 121 Cb -0.15 -3.36 0.01 0.00 0.00 0.00 0.00 36.38 32.89 3dgd s VAL 121 CO 0.03 0.12 -0.17 -0.69 0.00 0.00 0.00 175.10 174.39 3dgd s VAL 122 N 1.64 2.39 0.24 2.92 1.01 -1.26 -0.67 120.40 126.68 3dgd s VAL 122 Ca 0.05 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.28 3dgd s VAL 122 Cb -0.17 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 3dgd s VAL 122 CO 0.07 0.51 -0.13 0.42 0.00 0.00 0.00 175.10 175.97 3dgd s THR 123 N 1.23 1.89 0.00 3.92 -4.23 -0.17 -4.95 115.64 113.32 3dgd s THR 123 Ca 0.03 -2.23 0.00 0.00 -1.18 0.00 0.00 61.69 58.31 3dgd s THR 123 Cb -0.14 -2.21 0.00 0.00 1.34 0.00 0.00 72.50 71.49 3dgd s THR 123 CO -0.09 -0.47 0.07 -3.20 -0.54 0.00 0.00 174.62 170.39