#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bdy s ALA 2 N 0.00 3.37 0.29 -5.12 0.00 -1.25 -4.95 121.76 114.10 1bdy s ALA 2 Ca 0.00 -0.75 -0.27 0.00 0.00 0.00 0.00 51.96 50.93 1bdy s ALA 2 Cb 0.00 -1.82 -0.10 0.00 0.00 0.00 0.00 23.12 21.21 1bdy s ALA 2 CO 0.00 0.26 0.95 -1.25 0.00 0.00 0.00 175.76 175.72 1bdy s PRO 3 N 0.12 4.68 0.25 0.00 0.04 -1.25 -4.16 135.00 134.67 1bdy s PRO 3 Ca 0.04 1.39 -0.15 0.00 0.04 0.00 0.00 61.00 62.32 1bdy s PRO 3 Cb -0.12 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.45 1bdy s PRO 3 CO 0.01 0.36 0.53 -0.59 0.04 0.00 0.00 177.00 177.35 1bdy s PHE 4 N -1.46 0.21 -0.08 0.56 -0.71 -0.69 -1.87 117.98 113.94 1bdy s PHE 4 Ca 0.47 -0.59 0.04 0.00 -1.04 0.00 0.00 56.93 55.81 1bdy s PHE 4 Cb -0.21 0.31 -0.01 0.00 -1.21 0.00 0.00 43.02 41.90 1bdy s PHE 4 CO 0.27 -1.04 -0.21 -0.51 -1.34 0.00 0.00 175.22 172.39 1bdy s LEU 5 N -2.99 2.28 -0.29 -1.99 1.43 -0.18 -1.33 118.68 115.61 1bdy s LEU 5 Ca 0.19 -0.44 -0.10 0.00 -1.03 0.00 0.00 54.13 52.74 1bdy s LEU 5 Cb -0.02 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.73 1bdy s LEU 5 CO 0.08 0.23 0.16 -0.60 0.23 0.00 0.00 176.35 176.45 1bdy s ARG 6 N -0.06 3.66 0.03 1.70 3.52 -0.31 -1.02 118.95 126.47 1bdy s ARG 6 Ca -0.06 -0.50 0.09 0.00 -0.13 0.00 0.00 55.73 55.13 1bdy s ARG 6 Cb -0.14 -3.59 -0.03 0.00 -1.56 0.00 0.00 34.95 29.63 1bdy s ARG 6 CO 0.05 -0.28 -0.26 0.42 -0.81 0.00 0.00 175.30 174.41 1bdy s ILE 7 N 1.69 2.11 -0.00 4.11 1.01 -0.06 -1.37 121.20 128.68 1bdy s ILE 7 Ca 0.06 -1.31 -0.08 0.00 0.00 0.00 0.00 60.65 59.32 1bdy s ILE 7 Cb -0.16 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.52 1bdy s ILE 7 CO 0.08 0.42 0.16 -0.94 0.00 0.00 0.00 174.94 174.66 1bdy s SER 8 N -1.07 -0.01 -0.32 3.58 1.04 -0.70 -1.10 113.70 115.13 1bdy s SER 8 Ca 0.11 -0.15 -0.06 0.00 0.48 0.00 0.00 55.95 56.34 1bdy s SER 8 Cb -0.10 0.22 0.03 0.00 0.10 0.00 0.00 66.02 66.27 1bdy s SER 8 CO 0.01 -0.36 0.08 -0.36 0.98 0.00 0.00 173.24 173.59 1bdy s PHE 9 N -1.29 3.21 -0.16 5.02 0.08 -1.26 -1.64 117.98 121.94 1bdy s PHE 9 Ca -0.14 -1.32 0.18 0.00 0.12 0.00 0.00 56.93 55.77 1bdy s PHE 9 Cb -0.07 -2.24 -0.07 0.00 -0.57 0.00 0.00 43.02 40.07 1bdy s PHE 9 CO 0.02 -0.69 0.97 -0.91 -0.10 0.00 0.00 175.22 174.51 1bdy h ASN 10 N 8.20 0.00 -2.43 1.36 2.35 -1.46 0.15 115.58 123.75 1bdy h ASN 10 Ca -0.26 0.00 0.19 0.00 -0.55 0.00 0.00 56.30 55.67 1bdy h ASN 10 Cb 1.10 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.43 1bdy h ASN 10 CO 0.60 0.43 0.63 -0.24 -1.65 0.00 0.00 177.43 177.20 1bdy n SER 11 N -2.89 -1.61 -3.99 5.81 2.88 -1.24 -4.60 113.62 107.97 1bdy n SER 11 Ca -0.06 -1.78 -0.10 0.00 -1.33 0.00 0.00 58.87 55.60 1bdy n SER 11 Cb 0.76 2.60 -0.07 0.00 -0.75 0.00 0.00 64.21 66.75 1bdy n SER 11 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1bdy s TYR 12 N -2.18 0.46 -0.09 0.66 1.13 -1.26 -0.42 117.35 115.66 1bdy s TYR 12 Ca 0.24 -0.81 -0.04 0.00 -1.41 0.00 0.00 57.07 55.05 1bdy s TYR 12 Cb -0.02 -0.04 0.05 0.00 -1.10 0.00 0.00 41.96 40.84 1bdy s TYR 12 CO 0.04 -0.78 0.18 -1.21 -2.51 0.00 0.00 175.55 171.27 1bdy s GLU 13 N -4.00 0.09 0.31 -3.49 2.02 -0.51 -4.97 118.70 108.15 1bdy s GLU 13 Ca 0.21 0.53 -0.15 0.00 0.02 0.00 0.00 54.97 55.58 1bdy s GLU 13 Cb 0.03 -0.19 -0.09 0.00 0.10 0.00 0.00 34.13 33.98 1bdy s GLU 13 CO 0.04 -0.24 0.72 -0.51 0.02 0.00 0.00 175.26 175.29 1bdy s LEU 14 N 1.84 4.09 0.67 1.80 1.43 -1.26 -1.42 118.68 125.83 1bdy s LEU 14 Ca -0.03 1.26 -0.11 0.00 -1.03 0.00 0.00 54.13 54.23 1bdy s LEU 14 Cb -0.12 -4.02 -0.01 0.00 0.03 0.00 0.00 46.19 42.07 1bdy s LEU 14 CO -0.07 -0.18 1.05 -0.83 0.23 0.00 0.00 176.35 176.56 1bdy s GLY 15 N -2.24 1.66 0.36 -3.19 0.00 -1.26 -4.94 107.32 97.72 1bdy s GLY 15 Ca 0.53 -0.07 0.04 0.00 0.00 0.00 0.00 44.72 45.22 1bdy s GLY 15 CO 0.18 0.23 2.00 0.23 0.00 0.00 0.00 173.10 175.74 1bdy h SER 16 N -0.54 0.68 -0.78 1.64 0.87 -1.98 -2.81 113.55 110.63 1bdy h SER 16 Ca -0.44 -0.01 -0.44 0.00 -1.23 0.00 0.00 61.79 59.67 1bdy h SER 16 Cb 1.21 -0.16 -0.24 0.00 -0.44 0.00 0.00 62.40 62.77 1bdy h SER 16 CO 0.60 0.47 0.56 0.18 -0.53 0.00 0.00 176.83 178.11 1bdy n LEU 17 N -4.46 6.22 -4.28 2.23 4.77 -1.26 -4.89 117.00 115.33 1bdy n LEU 17 Ca 0.07 -3.32 -0.32 0.00 -0.03 0.00 0.00 56.01 52.42 1bdy n LEU 17 Cb 0.11 -0.82 -0.16 0.00 -2.33 0.00 0.00 43.42 40.21 1bdy n LEU 17 CO 0.35 1.03 -0.53 -1.10 -1.33 0.00 0.00 177.39 175.82 1bdy s GLN 18 N -2.68 3.05 -0.72 3.23 -0.21 -1.06 -5.04 119.66 116.23 1bdy s GLN 18 Ca 0.46 -0.82 -0.27 0.00 0.02 0.00 0.00 55.36 54.75 1bdy s GLN 18 Cb 0.38 -2.38 -0.14 0.00 1.00 0.00 0.00 33.01 31.88 1bdy s GLN 18 CO 0.06 0.24 2.52 0.00 -2.12 0.00 0.00 175.29 175.99 1bdy n ALA 19 N 3.39 0.58 -1.49 6.09 0.00 -1.26 -4.84 120.51 122.99 1bdy n ALA 19 Ca -0.18 -0.71 -0.38 0.00 0.00 0.00 0.00 53.44 52.16 1bdy n ALA 19 Cb 0.53 -2.83 0.04 0.00 0.00 0.00 0.00 19.45 17.18 1bdy n ALA 19 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bdy n GLU 20 N 8.69 0.55 -1.60 0.00 1.02 -1.26 -4.87 120.64 123.17 1bdy n GLU 20 Ca 0.50 0.22 -0.45 0.00 -0.02 0.00 0.00 57.16 57.40 1bdy n GLU 20 Cb 0.33 -1.76 -0.04 0.00 -0.02 0.00 0.00 31.44 29.95 1bdy n GLU 20 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1bdy n ASP 21 N 0.32 3.28 0.00 1.62 5.68 -1.26 -4.95 116.55 121.25 1bdy n ASP 21 Ca 0.12 0.54 0.00 0.00 -0.50 0.00 0.00 54.79 54.95 1bdy n ASP 21 Cb 0.47 -1.46 0.00 0.00 -1.14 0.00 0.00 41.12 39.00 1bdy n ASP 21 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1bdy n ASP 22 N 9.49 0.00 -0.95 -1.12 -0.08 -1.26 -4.83 116.55 117.80 1bdy n ASP 22 Ca 0.28 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.67 1bdy n ASP 22 Cb 0.37 0.00 0.14 0.00 2.34 0.00 0.00 41.12 43.97 1bdy n ASP 22 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1bdy n ALA 23 N -3.00 2.43 -2.29 -1.67 0.00 -1.26 -5.01 120.51 109.72 1bdy n ALA 23 Ca 0.00 -0.82 -0.16 0.00 0.00 0.00 0.00 53.44 52.47 1bdy n ALA 23 Cb 0.00 -0.76 -0.10 0.00 0.00 0.00 0.00 19.45 18.59 1bdy n ALA 23 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1bdy s SER 24 N -1.61 1.76 -0.14 0.00 0.01 -1.26 -5.14 113.70 107.32 1bdy s SER 24 Ca 0.30 -1.13 -0.05 0.00 1.31 0.00 0.00 55.95 56.38 1bdy s SER 24 Cb 0.19 0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.40 1bdy s SER 24 CO 0.28 -0.44 0.04 0.00 0.41 0.00 0.00 173.24 173.53 1bdy s GLN 25 N -3.82 3.57 0.87 12.44 0.00 -1.26 -4.84 119.66 126.62 1bdy s GLN 25 Ca 0.23 -0.36 -0.11 0.00 -0.00 0.00 0.00 55.36 55.12 1bdy s GLN 25 Cb 0.04 -3.05 0.11 0.00 0.00 0.00 0.00 33.01 30.12 1bdy s GLN 25 CO 0.05 0.47 1.09 -1.25 0.00 0.00 0.00 175.29 175.65 1bdy s PRO 26 N -0.19 1.46 0.16 9.60 0.04 -1.26 -4.87 135.00 139.94 1bdy s PRO 26 Ca 0.07 0.85 -0.07 0.00 0.04 0.00 0.00 61.00 61.88 1bdy s PRO 26 Cb -0.12 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 1bdy s PRO 26 CO 0.02 -2.10 0.24 -0.59 0.04 0.00 0.00 177.00 174.60 1bdy s PHE 27 N -2.95 0.52 0.00 0.56 -0.71 -0.46 -4.97 117.98 109.96 1bdy s PHE 27 Ca 0.63 -0.88 -0.01 0.00 -1.04 0.00 0.00 56.93 55.63 1bdy s PHE 27 Cb -0.17 -0.15 -0.04 0.00 -1.21 0.00 0.00 43.02 41.45 1bdy s PHE 27 CO 0.57 -0.69 0.14 0.00 -1.34 0.00 0.00 175.22 173.89 1bdy s ALA 29 N -1.29 1.99 -0.11 0.00 0.00 -0.16 -4.04 121.76 118.15 1bdy s ALA 29 Ca 0.26 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.33 1bdy s ALA 29 Cb -0.12 -0.86 -0.01 0.00 0.00 0.00 0.00 23.12 22.12 1bdy s ALA 29 CO 0.18 0.06 -0.16 0.08 0.00 0.00 0.00 175.76 175.91 1bdy s VAL 30 N 0.72 2.80 -0.17 0.00 1.01 0.39 -1.08 120.40 124.07 1bdy s VAL 30 Ca -0.11 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1bdy s VAL 30 Cb -0.16 -2.14 0.04 0.00 0.00 0.00 0.00 36.38 34.12 1bdy s VAL 30 CO 0.02 0.54 -0.09 -0.54 0.00 0.00 0.00 175.10 175.03 1bdy s LYS 31 N 0.19 1.84 0.10 2.72 1.02 -0.44 -1.23 119.74 123.94 1bdy s LYS 31 Ca -0.10 -0.62 -0.25 0.00 0.02 0.00 0.00 55.97 55.02 1bdy s LYS 31 Cb -0.16 -2.14 -0.07 0.00 -0.52 0.00 0.00 37.83 34.94 1bdy s LYS 31 CO 0.06 -0.38 0.76 -1.64 -0.92 0.00 0.00 175.35 173.23 1bdy s MET 32 N 1.52 4.52 -0.04 1.68 -1.94 -1.26 -1.00 119.30 122.77 1bdy s MET 32 Ca 0.01 1.10 0.02 0.00 -1.71 0.00 0.00 55.69 55.11 1bdy s MET 32 Cb -0.15 -3.31 0.01 0.00 2.01 0.00 0.00 34.83 33.39 1bdy s MET 32 CO -0.09 0.43 -0.08 0.15 -0.01 0.00 0.00 175.02 175.42 1bdy s LYS 33 N -0.59 1.11 -0.06 2.03 1.02 -0.14 -4.22 119.74 118.89 1bdy s LYS 33 Ca 0.37 -0.26 -0.09 0.00 0.02 0.00 0.00 55.97 56.01 1bdy s LYS 33 Cb -0.22 -1.01 -0.05 0.00 -0.52 0.00 0.00 37.83 36.04 1bdy s LYS 33 CO 0.24 0.02 0.23 -1.21 -0.92 0.00 0.00 175.35 173.72 1bdy s GLU 34 N 0.58 3.58 -0.48 1.68 0.41 0.16 -1.12 118.70 123.52 1bdy s GLU 34 Ca -0.10 0.00 -0.23 0.00 -0.41 0.00 0.00 54.97 54.23 1bdy s GLU 34 Cb -0.13 -3.17 0.03 0.00 -1.78 0.00 0.00 34.13 29.09 1bdy s GLU 34 CO 0.01 0.73 0.83 0.00 -0.49 0.00 0.00 175.26 176.34 1bdy s ALA 35 N -1.11 3.26 0.17 5.21 0.00 -1.25 -1.01 121.76 127.02 1bdy s ALA 35 Ca 0.20 -1.06 0.08 0.00 0.00 0.00 0.00 51.96 51.18 1bdy s ALA 35 Cb -0.13 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 1bdy s ALA 35 CO 0.09 -2.05 -0.16 -0.51 0.00 0.00 0.00 175.76 173.14 1bdy s LEU 36 N 3.47 2.47 -0.21 0.00 1.43 -0.68 -4.94 118.68 120.22 1bdy s LEU 36 Ca 0.30 -0.90 -0.07 0.00 -1.03 0.00 0.00 54.13 52.43 1bdy s LEU 36 Cb -0.12 -0.70 -0.04 0.00 0.03 0.00 0.00 46.19 45.36 1bdy s LEU 36 CO 0.22 -0.11 0.06 0.28 0.23 0.00 0.00 176.35 177.03 1bdy s THR 37 N -2.38 4.57 0.00 5.49 -1.32 -1.26 -1.09 115.64 119.64 1bdy s THR 37 Ca 0.16 -0.10 0.00 0.00 -1.21 0.00 0.00 61.69 60.54 1bdy s THR 37 Cb -0.04 -3.08 0.00 0.00 -1.51 0.00 0.00 72.50 67.87 1bdy s THR 37 CO 0.06 0.41 0.00 1.07 -2.21 0.00 0.00 174.62 173.95 1bdy n THR 38 N 4.05 0.00 0.28 5.08 5.66 -0.60 -4.95 114.28 123.80 1bdy n THR 38 Ca -0.16 0.00 0.17 0.00 -3.05 0.00 0.00 64.05 61.01 1bdy n THR 38 Cb 0.52 0.00 0.86 0.00 -1.55 0.00 0.00 70.33 70.16 1bdy n THR 38 CO 0.00 0.00 0.00 -2.24 -3.05 0.00 0.00 175.07 169.78 1bdy h ASP 39 N 0.00 0.00 -0.53 1.09 2.03 -2.03 0.16 116.42 117.14 1bdy h ASP 39 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1bdy h ASP 39 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1bdy h ASP 39 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 179.24 178.75 1bdy n ARG 40 N -2.71 2.60 0.00 4.15 1.74 -1.26 -5.08 116.66 116.09 1bdy n ARG 40 Ca -0.01 -2.44 0.00 0.00 -0.77 0.00 0.00 57.85 54.63 1bdy n ARG 40 Cb 0.11 -1.54 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 1bdy n ARG 40 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bdy n GLY 41 N 1.58 -1.76 3.66 -0.13 0.00 0.04 -4.86 105.19 103.72 1bdy n GLY 41 Ca 0.22 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 1bdy n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bdy s LYS 42 N 0.00 4.14 0.07 1.61 1.02 -1.26 -1.55 119.74 123.76 1bdy s LYS 42 Ca 0.00 2.21 -0.01 0.00 0.02 0.00 0.00 55.97 58.19 1bdy s LYS 42 Cb 0.00 -4.02 -0.04 0.00 -0.52 0.00 0.00 37.83 33.25 1bdy s LYS 42 CO 0.00 -0.91 -0.01 -0.08 -0.92 0.00 0.00 175.35 173.43 1bdy s THR 43 N 4.23 0.20 -0.34 2.17 -1.32 -0.25 -4.99 115.64 115.34 1bdy s THR 43 Ca 0.76 -1.83 -0.12 0.00 -1.21 0.00 0.00 61.69 59.28 1bdy s THR 43 Cb -0.34 -1.63 -0.01 0.00 -1.51 0.00 0.00 72.50 69.01 1bdy s THR 43 CO 0.31 -0.89 0.22 -0.76 -2.21 0.00 0.00 174.62 171.29 1bdy s LEU 44 N -2.95 4.47 -0.13 9.08 1.43 -1.26 -1.68 118.68 127.64 1bdy s LEU 44 Ca 0.11 -0.54 -0.02 0.00 -1.03 0.00 0.00 54.13 52.64 1bdy s LEU 44 Cb 0.08 -2.09 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 1bdy s LEU 44 CO -0.08 -0.25 -0.04 -0.69 0.23 0.00 0.00 176.35 175.52 1bdy s VAL 45 N 1.67 3.86 -0.46 -1.59 1.01 -0.18 -4.87 120.40 119.85 1bdy s VAL 45 Ca 0.05 -0.38 -0.19 0.00 0.00 0.00 0.00 61.98 61.46 1bdy s VAL 45 Cb -0.18 -2.66 0.04 0.00 0.00 0.00 0.00 36.38 33.58 1bdy s VAL 45 CO 0.09 0.53 0.58 -1.58 0.00 0.00 0.00 175.10 174.72 1bdy s GLN 46 N -0.02 3.17 -0.21 2.72 0.74 -1.26 -0.67 119.66 124.12 1bdy s GLN 46 Ca 0.01 -0.69 -0.17 0.00 0.05 0.00 0.00 55.36 54.56 1bdy s GLN 46 Cb -0.13 -4.02 -0.19 0.00 1.10 0.00 0.00 33.01 29.78 1bdy s GLN 46 CO 0.03 -1.05 0.10 1.63 -0.55 0.00 0.00 175.29 175.44 1bdy n LYS 47 N 6.05 0.60 -2.62 1.67 5.02 -1.26 -4.95 118.16 122.68 1bdy n LYS 47 Ca -0.05 0.45 -0.36 0.00 -2.02 0.00 0.00 58.31 56.33 1bdy n LYS 47 Cb 0.47 -1.68 -0.05 0.00 -0.02 0.00 0.00 35.03 33.75 1bdy n LYS 47 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1bdy s LYS 48 N -2.43 4.22 0.84 1.97 1.02 -1.26 -5.03 119.74 119.07 1bdy s LYS 48 Ca -0.30 1.42 -0.11 0.00 0.02 0.00 0.00 55.97 57.00 1bdy s LYS 48 Cb 0.08 -2.51 0.10 0.00 -0.52 0.00 0.00 37.83 34.98 1bdy s LYS 48 CO 0.60 -0.07 1.14 -2.14 -0.92 0.00 0.00 175.35 173.95 1bdy s PRO 49 N -2.55 1.61 0.16 -1.68 0.02 -1.26 -4.75 135.00 126.56 1bdy s PRO 49 Ca 0.58 1.46 -0.31 0.00 0.02 0.00 0.00 61.00 62.75 1bdy s PRO 49 Cb -0.19 -1.80 -0.09 0.00 0.02 0.00 0.00 34.50 32.43 1bdy s PRO 49 CO 0.24 -2.17 1.45 0.99 -0.33 0.00 0.00 177.00 177.19 1bdy s THR 50 N -2.62 2.95 0.11 0.99 2.01 -1.26 -4.83 115.64 112.98 1bdy s THR 50 Ca 0.66 0.70 -0.04 0.00 0.31 0.00 0.00 61.69 63.33 1bdy s THR 50 Cb -0.22 -3.45 -0.05 0.00 0.01 0.00 0.00 72.50 68.79 1bdy s THR 50 CO 0.55 0.07 0.33 -0.04 -0.69 0.00 0.00 174.62 174.83 1bdy s MET 51 N 0.77 3.57 -0.59 4.92 -1.94 -0.37 -4.93 119.30 120.74 1bdy s MET 51 Ca 0.65 -0.17 0.05 0.00 -1.71 0.00 0.00 55.69 54.52 1bdy s MET 51 Cb -0.40 -2.92 0.19 0.00 2.01 0.00 0.00 34.83 33.71 1bdy s MET 51 CO 0.33 0.52 0.51 0.66 -0.01 0.00 0.00 175.02 177.04 1bdy n TYR 52 N 0.26 1.95 -2.40 -0.03 4.01 -1.26 -0.46 117.16 119.23 1bdy n TYR 52 Ca -0.04 -3.96 -0.41 0.00 -0.16 0.00 0.00 57.90 53.32 1bdy n TYR 52 Cb 0.52 -0.37 -0.03 0.00 -0.31 0.00 0.00 39.34 39.14 1bdy n TYR 52 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1bdy s PRO 53 N -1.27 4.48 0.58 -0.72 0.04 -1.26 -5.00 135.00 131.85 1bdy s PRO 53 Ca 0.31 1.83 -0.19 0.00 0.04 0.00 0.00 61.00 62.99 1bdy s PRO 53 Cb 0.04 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 1bdy s PRO 53 CO -0.14 -0.12 1.18 -2.00 0.04 0.00 0.00 177.00 175.96 1bdy s GLU 54 N 0.12 3.09 0.51 4.56 2.56 -1.26 -4.55 118.70 123.73 1bdy s GLU 54 Ca 0.54 1.74 -0.23 0.00 0.00 0.00 0.00 54.97 57.02 1bdy s GLU 54 Cb -0.32 -1.95 -0.06 0.00 2.00 0.00 0.00 34.13 33.80 1bdy s GLU 54 CO 0.34 -1.09 1.39 0.91 -0.56 0.00 0.00 175.26 176.25 1bdy n TRP 55 N -1.52 2.46 0.00 5.30 7.02 -1.26 -2.34 117.44 127.09 1bdy n TRP 55 Ca 0.13 0.43 0.00 0.00 -1.02 0.00 0.00 57.50 57.04 1bdy n TRP 55 Cb 0.50 -2.40 0.00 0.00 -2.42 0.00 0.00 31.31 26.99 1bdy n TRP 55 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1bdy n LYS 56 N -0.67 0.00 -2.44 -0.99 4.01 0.53 -5.00 118.16 113.60 1bdy n LYS 56 Ca 0.08 0.00 -0.35 0.00 -0.51 0.00 0.00 58.31 57.53 1bdy n LYS 56 Cb 0.43 -0.52 -0.02 0.00 -0.51 0.00 0.00 35.03 34.41 1bdy n LYS 56 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1bdy s SER 57 N -0.52 6.25 0.19 4.39 0.01 -0.99 -4.85 113.70 118.19 1bdy s SER 57 Ca 0.00 2.06 0.05 0.00 1.31 0.00 0.00 55.95 59.37 1bdy s SER 57 Cb 0.00 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 1bdy s SER 57 CO 0.00 -0.85 0.21 0.42 0.41 0.00 0.00 173.24 173.43 1bdy s THR 58 N -1.81 4.74 0.01 1.44 -4.23 -1.26 -4.17 115.64 110.36 1bdy s THR 58 Ca 0.66 -1.07 -0.12 0.00 -1.18 0.00 0.00 61.69 59.97 1bdy s THR 58 Cb -0.21 -3.48 0.02 0.00 1.34 0.00 0.00 72.50 70.17 1bdy s THR 58 CO 0.25 -0.19 0.26 0.72 -0.54 0.00 0.00 174.62 175.12 1bdy s PHE 59 N -1.87 -0.09 0.01 3.99 -0.71 -0.26 -4.95 117.98 114.10 1bdy s PHE 59 Ca 0.32 0.04 0.00 0.00 -1.04 0.00 0.00 56.93 56.26 1bdy s PHE 59 Cb -0.10 0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.73 1bdy s PHE 59 CO 0.25 -0.41 0.09 -0.51 -1.34 0.00 0.00 175.22 173.31 1bdy s ASP 60 N -1.64 5.73 -0.09 1.98 1.01 -1.26 -0.88 116.67 121.52 1bdy s ASP 60 Ca -0.10 0.14 -0.03 0.00 0.71 0.00 0.00 52.55 53.27 1bdy s ASP 60 Cb -0.04 -1.64 0.04 0.00 1.01 0.00 0.00 42.92 42.29 1bdy s ASP 60 CO 0.01 0.25 0.06 0.00 0.21 0.00 0.00 175.17 175.69 1bdy s ALA 61 N -1.26 0.40 0.49 5.23 0.00 -0.19 -4.98 121.76 121.45 1bdy s ALA 61 Ca 0.25 -0.04 -0.21 0.00 0.00 0.00 0.00 51.96 51.96 1bdy s ALA 61 Cb -0.12 -0.78 -0.08 0.00 0.00 0.00 0.00 23.12 22.14 1bdy s ALA 61 CO 0.16 -0.71 1.08 -1.01 0.00 0.00 0.00 175.76 175.29 1bdy s HIS 62 N 2.11 2.92 -0.53 0.00 3.76 -1.26 -1.01 115.29 121.28 1bdy s HIS 62 Ca 0.04 1.57 -0.21 0.00 -0.15 0.00 0.00 55.06 56.30 1bdy s HIS 62 Cb -0.13 -3.18 0.05 0.00 1.11 0.00 0.00 32.58 30.42 1bdy s HIS 62 CO -0.05 -1.12 0.77 0.42 -0.85 0.00 0.00 174.74 173.91 1bdy s ILE 63 N -1.82 4.65 0.16 0.60 1.01 -0.78 -4.90 121.20 120.11 1bdy s ILE 63 Ca 0.67 -0.12 0.09 0.00 0.00 0.00 0.00 60.65 61.29 1bdy s ILE 63 Cb -0.21 -4.41 -0.04 0.00 0.01 0.00 0.00 42.46 37.81 1bdy s ILE 63 CO 0.25 -0.94 -0.12 -0.31 0.00 0.00 0.00 174.94 173.82 1bdy s TYR 64 N 3.24 2.62 0.15 3.97 2.02 -1.26 -4.87 117.35 123.22 1bdy s TYR 64 Ca 0.22 -0.22 -0.31 0.00 -0.37 0.00 0.00 57.07 56.38 1bdy s TYR 64 Cb -0.16 -1.31 -0.10 0.00 -0.40 0.00 0.00 41.96 39.99 1bdy s TYR 64 CO 0.15 0.48 1.57 -1.21 -1.57 0.00 0.00 175.55 174.98 1bdy s GLU 65 N -2.62 4.22 0.00 -0.62 8.01 -1.26 -2.54 118.70 123.89 1bdy s GLU 65 Ca 0.23 2.35 0.00 0.00 0.01 0.00 0.00 54.97 57.56 1bdy s GLU 65 Cb -0.09 -3.23 0.00 0.00 -4.31 0.00 0.00 34.13 26.50 1bdy s GLU 65 CO 0.14 -0.62 0.00 0.41 0.01 0.00 0.00 175.26 175.20 1bdy n GLY 66 N 3.78 1.59 3.76 -1.39 0.00 -1.26 -4.63 105.19 107.05 1bdy n GLY 66 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1bdy n GLY 66 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bdy s ARG 67 N -0.13 3.76 0.04 1.61 3.52 -1.05 -3.83 118.95 122.86 1bdy s ARG 67 Ca 0.00 2.21 0.02 0.00 -0.13 0.00 0.00 55.73 57.84 1bdy s ARG 67 Cb 0.00 -2.63 -0.02 0.00 -1.56 0.00 0.00 34.95 30.73 1bdy s ARG 67 CO 0.00 -0.68 -0.08 0.54 -0.81 0.00 0.00 175.30 174.26 1bdy s VAL 68 N -1.27 0.58 -0.09 7.11 0.11 -0.27 -2.03 120.40 124.54 1bdy s VAL 68 Ca 0.61 -1.08 0.03 0.00 -2.93 0.00 0.00 61.98 58.60 1bdy s VAL 68 Cb -0.39 -0.64 0.01 0.00 -1.53 0.00 0.00 36.38 33.82 1bdy s VAL 68 CO 0.50 -0.36 -0.18 -0.51 -3.33 0.00 0.00 175.10 171.21 1bdy s ILE 69 N -1.35 1.64 -0.23 7.04 2.07 -0.35 -0.96 121.20 129.05 1bdy s ILE 69 Ca -0.09 -0.76 -0.07 0.00 -1.41 0.00 0.00 60.65 58.32 1bdy s ILE 69 Cb -0.10 -1.45 -0.03 0.00 0.13 0.00 0.00 42.46 41.01 1bdy s ILE 69 CO 0.01 0.47 0.06 -1.58 -1.91 0.00 0.00 174.94 171.98 1bdy s GLN 70 N 0.60 3.69 -0.21 3.50 0.74 -0.17 -1.30 119.66 126.50 1bdy s GLN 70 Ca -0.15 -0.47 -0.06 0.00 0.05 0.00 0.00 55.36 54.74 1bdy s GLN 70 Cb -0.17 -3.27 -0.03 0.00 1.10 0.00 0.00 33.01 30.64 1bdy s GLN 70 CO 0.05 -0.10 0.03 0.42 -0.55 0.00 0.00 175.29 175.13 1bdy s ILE 71 N 1.37 4.16 -0.15 -2.34 1.01 0.12 -1.32 121.20 124.05 1bdy s ILE 71 Ca 0.05 -0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.48 1bdy s ILE 71 Cb -0.15 -2.90 0.01 0.00 0.01 0.00 0.00 42.46 39.43 1bdy s ILE 71 CO 0.03 0.40 -0.21 -0.69 0.00 0.00 0.00 174.94 174.48 1bdy s VAL 72 N 1.13 1.98 -0.32 2.92 1.01 -0.24 -1.46 120.40 125.42 1bdy s VAL 72 Ca 0.03 -0.92 -0.23 0.00 0.00 0.00 0.00 61.98 60.86 1bdy s VAL 72 Cb -0.14 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.47 1bdy s VAL 72 CO 0.02 0.53 0.77 -0.22 0.00 0.00 0.00 175.10 176.21 1bdy s LEU 73 N 0.96 4.10 -0.08 3.92 2.96 0.27 -0.99 118.68 129.82 1bdy s LEU 73 Ca -0.04 0.58 -0.07 0.00 -0.22 0.00 0.00 54.13 54.38 1bdy s LEU 73 Cb -0.15 -3.04 -0.04 0.00 0.50 0.00 0.00 46.19 43.46 1bdy s LEU 73 CO -0.05 -0.62 0.17 -0.04 -1.32 0.00 0.00 176.35 174.50 1bdy s MET 74 N 2.95 3.48 -0.05 1.98 -1.94 0.12 -0.92 119.30 124.92 1bdy s MET 74 Ca 0.31 -0.13 -0.08 0.00 -1.71 0.00 0.00 55.69 54.08 1bdy s MET 74 Cb -0.14 -3.16 -0.29 0.00 2.01 0.00 0.00 34.83 33.24 1bdy s MET 74 CO 0.13 0.74 0.67 -0.09 -0.01 0.00 0.00 175.02 176.47 1bdy h ARG 75 N 4.65 0.33 -2.99 2.03 2.43 -1.28 -1.23 114.38 118.32 1bdy h ARG 75 Ca -0.53 -0.57 0.01 0.00 -0.81 0.00 0.00 59.98 58.08 1bdy h ARG 75 Cb 1.22 0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.97 1bdy h ARG 75 CO 0.61 1.23 0.27 0.00 -1.51 0.00 0.00 179.97 180.57 1bdy s ALA 76 N -2.59 -0.88 0.19 2.80 0.00 -1.22 -4.46 121.76 115.61 1bdy s ALA 76 Ca -0.15 -0.63 -0.32 0.00 0.00 0.00 0.00 51.96 50.86 1bdy s ALA 76 Cb 0.06 0.72 -0.12 0.00 0.00 0.00 0.00 23.12 23.78 1bdy s ALA 76 CO 0.84 -1.00 1.70 0.00 0.00 0.00 0.00 175.76 177.30 1bdy n ALA 77 N -0.51 2.47 -1.83 0.00 0.00 -1.26 -1.85 120.51 117.54 1bdy n ALA 77 Ca -0.07 0.40 -0.17 0.00 0.00 0.00 0.00 53.44 53.60 1bdy n ALA 77 Cb 0.60 -2.49 -0.05 0.00 0.00 0.00 0.00 19.45 17.50 1bdy n ALA 77 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1bdy n GLU 78 N 3.99 -1.29 -3.53 0.00 4.07 -1.26 -4.94 120.64 117.68 1bdy n GLU 78 Ca 0.16 1.01 -0.27 0.00 -0.06 0.00 0.00 57.16 58.01 1bdy n GLU 78 Cb 0.34 -5.34 -0.10 0.00 -0.06 0.00 0.00 31.44 26.27 1bdy n GLU 78 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1bdy n ASP 79 N -1.02 0.80 -4.78 4.31 2.03 -0.77 -5.11 116.55 112.01 1bdy n ASP 79 Ca -0.19 -2.70 -0.36 0.00 0.52 0.00 0.00 54.79 52.06 1bdy n ASP 79 Cb 0.61 -0.63 -0.04 0.00 -0.72 0.00 0.00 41.12 40.34 1bdy n ASP 79 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1bdy s PRO 80 N -0.60 4.12 -0.04 -0.67 0.04 -1.26 -0.85 135.00 135.73 1bdy s PRO 80 Ca 0.31 1.53 0.04 0.00 0.04 0.00 0.00 61.00 62.92 1bdy s PRO 80 Cb 0.03 -2.51 -0.05 0.00 0.04 0.00 0.00 34.50 32.00 1bdy s PRO 80 CO -0.18 -0.19 0.02 0.00 0.04 0.00 0.00 177.00 176.69 1bdy n MET 81 N -0.14 3.29 -3.69 4.56 0.00 -0.09 -4.82 117.12 116.23 1bdy n MET 81 Ca 0.05 -0.00 -0.08 0.00 0.00 0.00 0.00 57.70 57.67 1bdy n MET 81 Cb 0.50 -1.11 -0.02 0.00 0.00 0.00 0.00 33.22 32.59 1bdy n MET 81 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1bdy s SER 82 N -3.51 -0.33 0.24 3.17 1.04 -1.19 -4.55 113.70 108.57 1bdy s SER 82 Ca -0.02 -0.35 -0.22 0.00 0.48 0.00 0.00 55.95 55.84 1bdy s SER 82 Cb 0.01 0.61 0.05 0.00 0.10 0.00 0.00 66.02 66.79 1bdy s SER 82 CO 0.17 -1.08 0.86 -1.83 0.98 0.00 0.00 173.24 172.34 1bdy s GLU 83 N -3.66 1.57 -0.05 4.02 -1.05 0.15 -0.57 118.70 119.12 1bdy s GLU 83 Ca 0.08 -0.91 -0.30 0.00 -0.15 0.00 0.00 54.97 53.69 1bdy s GLU 83 Cb -0.03 0.51 0.08 0.00 -0.44 0.00 0.00 34.13 34.25 1bdy s GLU 83 CO -0.01 -0.73 0.74 0.54 0.95 0.00 0.00 175.26 176.76 1bdy s VAL 84 N -3.24 0.00 -0.10 1.83 0.11 -0.54 -0.16 120.40 118.30 1bdy s VAL 84 Ca 0.13 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.20 1bdy s VAL 84 Cb -0.04 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.83 1bdy s VAL 84 CO 0.06 0.00 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.79 1bdy s THR 85 N -1.48 1.41 0.01 5.04 2.01 -1.26 -0.70 115.64 120.66 1bdy s THR 85 Ca -0.07 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.34 1bdy s THR 85 Cb -0.00 -1.29 -0.01 0.00 0.01 0.00 0.00 72.50 71.21 1bdy s THR 85 CO 0.06 0.42 -0.04 0.54 -0.69 0.00 0.00 174.62 174.91 1bdy s VAL 86 N 0.94 0.25 0.32 3.82 0.11 -0.42 -4.97 120.40 120.46 1bdy s VAL 86 Ca -0.08 -0.39 -0.29 0.00 -2.93 0.00 0.00 61.98 58.30 1bdy s VAL 86 Cb -0.15 -0.27 -0.10 0.00 -1.53 0.00 0.00 36.38 34.34 1bdy s VAL 86 CO -0.00 -0.09 1.21 -0.83 -3.33 0.00 0.00 175.10 172.05 1bdy s GLY 87 N -0.51 3.01 0.42 6.54 0.00 -1.26 -1.21 107.32 114.31 1bdy s GLY 87 Ca -0.03 1.08 0.10 0.00 0.00 0.00 0.00 44.72 45.87 1bdy s GLY 87 CO -0.00 1.69 2.00 -2.08 0.00 0.00 0.00 173.10 174.72 1bdy h VAL 88 N 2.96 1.12 -0.03 1.40 2.07 -1.76 -1.39 116.25 120.63 1bdy h VAL 88 Ca -0.48 -0.45 -0.10 0.00 0.82 0.00 0.00 66.70 66.49 1bdy h VAL 88 Cb 1.22 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1bdy h VAL 88 CO 0.66 0.15 -0.46 0.77 0.02 0.00 0.00 177.57 178.71 1bdy h SER 89 N 0.27 0.06 -0.34 0.57 4.64 -1.89 -0.56 113.55 116.30 1bdy h SER 89 Ca 0.07 -0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 1bdy h SER 89 Cb 0.17 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1bdy h SER 89 CO 0.00 0.52 0.01 0.58 -0.87 0.00 0.00 176.83 177.07 1bdy h VAL 90 N 0.05 1.26 -0.24 0.95 2.07 -1.64 -0.76 116.25 117.93 1bdy h VAL 90 Ca 0.00 -0.95 -0.13 0.00 0.82 0.00 0.00 66.70 66.44 1bdy h VAL 90 Cb 0.84 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1bdy h VAL 90 CO 0.06 0.31 -0.39 -0.07 0.02 0.00 0.00 177.57 177.51 1bdy h LEU 91 N 0.41 0.57 -0.90 2.57 3.38 -1.24 -2.76 115.31 117.34 1bdy h LEU 91 Ca 0.10 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 1bdy h LEU 91 Cb 0.44 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1bdy h LEU 91 CO 0.02 0.90 -0.32 0.00 0.09 0.00 0.00 178.44 179.13 1bdy h ALA 92 N 1.13 1.06 -0.34 1.53 0.00 -0.94 -2.80 119.26 118.90 1bdy h ALA 92 Ca 0.04 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 1bdy h ALA 92 Cb 0.88 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1bdy h ALA 92 CO 0.07 0.58 -0.19 1.49 0.00 0.00 0.00 179.25 181.20 1bdy h GLU 93 N 0.37 0.64 -0.61 0.00 4.57 -0.96 -2.34 114.58 116.25 1bdy h GLU 93 Ca 0.05 -0.23 -0.06 0.00 -1.18 0.00 0.00 59.36 57.93 1bdy h GLU 93 Cb 0.75 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.27 1bdy h GLU 93 CO 0.06 0.79 0.13 0.00 -1.18 0.00 0.00 179.01 178.80 1bdy h ARG 94 N 0.57 0.97 -0.16 1.92 3.08 -1.24 -2.80 114.38 116.73 1bdy h ARG 94 Ca 0.09 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 1bdy h ARG 94 Cb 0.64 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 1bdy h ARG 94 CO 0.05 0.88 -0.04 0.00 -1.07 0.00 0.00 179.97 179.79 1bdy h LYS 96 N 0.00 0.94 0.00 0.00 1.57 -1.37 1.02 116.57 118.73 1bdy h LYS 96 Ca 0.04 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1bdy h LYS 96 Cb 0.47 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1bdy h LYS 96 CO 0.02 0.62 0.00 1.63 -0.57 0.00 0.00 179.45 181.15 1bdy n LYS 97 N -4.63 0.10 -2.24 3.15 4.76 -1.06 -3.25 118.16 114.98 1bdy n LYS 97 Ca 0.14 0.26 -0.20 0.00 -2.87 0.00 0.00 58.31 55.64 1bdy n LYS 97 Cb 0.23 -1.66 0.02 0.00 -1.84 0.00 0.00 35.03 31.78 1bdy n LYS 97 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1bdy n ASN 98 N -1.84 4.24 -2.25 4.39 5.15 -0.40 -4.95 115.26 119.59 1bdy n ASN 98 Ca 0.04 -3.44 -0.19 0.00 -0.60 0.00 0.00 54.58 50.39 1bdy n ASN 98 Cb 0.25 -0.39 0.00 0.00 -0.53 0.00 0.00 39.78 39.12 1bdy n ASN 98 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1bdy n ASN 99 N -0.63 -5.44 0.00 1.20 4.13 -1.11 -2.76 115.26 110.65 1bdy n ASN 99 Ca 0.36 -0.07 0.00 0.00 1.68 0.00 0.00 54.58 56.55 1bdy n ASN 99 Cb 0.89 -4.44 0.00 0.00 -1.54 0.00 0.00 39.78 34.69 1bdy n ASN 99 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1bdy n GLY 100 N -1.12 0.73 2.85 7.41 0.00 0.34 -4.98 105.19 110.42 1bdy n GLY 100 Ca -0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.67 1bdy n GLY 100 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bdy s LYS 101 N -0.12 0.27 -0.02 1.61 2.36 -1.11 -0.75 119.74 121.98 1bdy s LYS 101 Ca 0.00 0.02 -0.00 0.00 -2.55 0.00 0.00 55.97 53.44 1bdy s LYS 101 Cb 0.00 -0.39 0.02 0.00 -1.05 0.00 0.00 37.83 36.41 1bdy s LYS 101 CO 0.00 -0.07 0.03 0.00 1.55 0.00 0.00 175.35 176.85 1bdy s ALA 102 N 0.68 0.02 -0.10 3.13 0.00 -0.07 -4.61 121.76 120.80 1bdy s ALA 102 Ca -0.07 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.10 1bdy s ALA 102 Cb -0.10 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 22.89 1bdy s ALA 102 CO -0.01 -0.07 -0.09 -1.21 0.00 0.00 0.00 175.76 174.38 1bdy s GLU 103 N 0.62 1.58 0.11 0.00 2.02 -1.26 -0.51 118.70 121.26 1bdy s GLU 103 Ca -0.05 -0.30 -0.26 0.00 0.02 0.00 0.00 54.97 54.38 1bdy s GLU 103 Cb -0.07 -1.54 0.07 0.00 0.10 0.00 0.00 34.13 32.69 1bdy s GLU 103 CO -0.02 -0.19 0.87 -0.59 0.02 0.00 0.00 175.26 175.36 1bdy s PHE 104 N 1.41 -0.25 -0.09 1.61 -0.71 -0.92 -5.01 117.98 114.03 1bdy s PHE 104 Ca -0.00 -0.00 -0.14 0.00 -1.04 0.00 0.00 56.93 55.74 1bdy s PHE 104 Cb -0.13 0.60 -0.05 0.00 -1.21 0.00 0.00 43.02 42.23 1bdy s PHE 104 CO -0.05 -0.78 0.36 -1.58 -1.34 0.00 0.00 175.22 171.83 1bdy s TRP 105 N -3.34 3.58 -0.15 3.49 0.52 -1.26 -0.85 118.94 120.92 1bdy s TRP 105 Ca 0.08 0.79 -0.02 0.00 0.02 0.00 0.00 56.10 56.97 1bdy s TRP 105 Cb -0.02 -2.33 -0.02 0.00 -1.15 0.00 0.00 33.47 29.96 1bdy s TRP 105 CO -0.03 0.42 -0.08 -1.17 0.02 0.00 0.00 176.95 176.12 1bdy s LEU 106 N -0.20 2.99 0.20 2.99 2.96 0.22 -4.94 118.68 122.90 1bdy s LEU 106 Ca 0.21 -0.23 -0.27 0.00 -0.22 0.00 0.00 54.13 53.61 1bdy s LEU 106 Cb -0.15 -1.71 -0.08 0.00 0.50 0.00 0.00 46.19 44.75 1bdy s LEU 106 CO 0.09 0.15 0.84 -1.81 -1.32 0.00 0.00 176.35 174.30 1bdy s ASP 107 N 0.45 7.49 0.22 3.68 1.01 -1.26 -1.17 116.67 127.08 1bdy s ASP 107 Ca -0.06 1.77 0.09 0.00 0.71 0.00 0.00 52.55 55.05 1bdy s ASP 107 Cb -0.15 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.19 1bdy s ASP 107 CO 0.04 0.18 -0.01 -0.76 0.21 0.00 0.00 175.17 174.83 1bdy s LEU 108 N -1.19 3.22 -0.14 1.23 1.43 0.17 -4.84 118.68 118.56 1bdy s LEU 108 Ca 0.38 -0.53 -0.06 0.00 -1.03 0.00 0.00 54.13 52.89 1bdy s LEU 108 Cb -0.24 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 1bdy s LEU 108 CO 0.28 0.05 0.07 -1.10 0.23 0.00 0.00 176.35 175.88 1bdy s GLN 109 N -3.29 3.59 0.19 1.70 -0.21 0.77 -2.42 119.66 120.00 1bdy s GLN 109 Ca 0.29 -0.30 0.25 0.00 0.02 0.00 0.00 55.36 55.62 1bdy s GLN 109 Cb -0.08 -3.10 0.63 0.00 1.00 0.00 0.00 33.01 31.46 1bdy s GLN 109 CO 0.19 0.52 1.61 -1.00 -2.12 0.00 0.00 175.29 174.49 1bdy h PRO 110 N 5.85 0.00 0.00 2.91 0.13 -1.85 0.45 132.00 139.50 1bdy h PRO 110 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1bdy h PRO 110 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1bdy h PRO 110 CO 0.63 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.44 1bdy n GLN 111 N -2.26 2.60 -1.62 0.86 6.02 -1.01 -5.11 117.38 116.85 1bdy n GLN 111 Ca 0.05 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.86 1bdy n GLN 111 Cb 0.44 -0.22 0.11 0.00 1.02 0.00 0.00 30.24 31.59 1bdy n GLN 111 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bdy n ALA 112 N 0.00 -0.43 -3.22 -1.58 0.00 -1.24 -4.00 120.51 110.04 1bdy n ALA 112 Ca 0.00 -1.25 -0.13 0.00 0.00 0.00 0.00 53.44 52.06 1bdy n ALA 112 Cb 0.00 0.08 -0.09 0.00 0.00 0.00 0.00 19.45 19.45 1bdy n ALA 112 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1bdy s LYS 113 N -4.59 0.62 -0.03 0.00 -2.85 -0.50 0.44 119.74 112.83 1bdy s LYS 113 Ca 0.48 -0.17 0.07 0.00 -1.00 0.00 0.00 55.97 55.35 1bdy s LYS 113 Cb -0.02 0.27 -0.02 0.00 -2.06 0.00 0.00 37.83 36.01 1bdy s LYS 113 CO 0.33 -0.16 -0.24 0.14 0.10 0.00 0.00 175.35 175.52 1bdy s VAL 114 N -1.22 1.88 -0.27 1.79 -7.23 -0.32 -1.42 120.40 113.61 1bdy s VAL 114 Ca -0.13 -1.01 -0.24 0.00 -1.81 0.00 0.00 61.98 58.80 1bdy s VAL 114 Cb -0.05 -1.57 -0.00 0.00 0.56 0.00 0.00 36.38 35.32 1bdy s VAL 114 CO 0.04 0.53 0.79 -0.22 -0.31 0.00 0.00 175.10 175.93 1bdy s LEU 115 N -0.47 4.08 0.11 1.32 0.20 0.44 -0.61 118.68 123.75 1bdy s LEU 115 Ca 0.07 0.86 0.07 0.00 0.69 0.00 0.00 54.13 55.82 1bdy s LEU 115 Cb -0.10 -3.11 -0.04 0.00 -0.43 0.00 0.00 46.19 42.51 1bdy s LEU 115 CO -0.00 -0.54 -0.12 -0.04 -0.29 0.00 0.00 176.35 175.36 1bdy s MET 116 N 2.86 2.05 -0.14 1.98 -1.94 -0.03 -1.05 119.30 123.01 1bdy s MET 116 Ca 0.33 -1.06 -0.01 0.00 -1.71 0.00 0.00 55.69 53.24 1bdy s MET 116 Cb -0.15 -2.26 0.04 0.00 2.01 0.00 0.00 34.83 34.47 1bdy s MET 116 CO 0.09 0.50 -0.06 0.00 -0.01 0.00 0.00 175.02 175.55 1bdy s VAL 118 N 1.69 1.56 -0.01 0.00 1.01 0.33 -1.72 120.40 123.26 1bdy s VAL 118 Ca 0.03 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.25 1bdy s VAL 118 Cb -0.14 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 1bdy s VAL 118 CO -0.08 0.44 -0.18 -1.10 0.00 0.00 0.00 175.10 174.18 1bdy s GLN 119 N -0.22 1.46 -0.22 2.72 -0.21 -0.47 -0.90 119.66 121.82 1bdy s GLN 119 Ca 0.02 -0.66 -0.09 0.00 0.02 0.00 0.00 55.36 54.65 1bdy s GLN 119 Cb -0.10 -1.41 -0.04 0.00 1.00 0.00 0.00 33.01 32.45 1bdy s GLN 119 CO 0.01 0.39 0.11 -0.47 -2.12 0.00 0.00 175.29 173.20 1bdy s TYR 120 N -0.44 3.27 -0.01 0.91 5.04 0.07 -1.16 117.35 125.03 1bdy s TYR 120 Ca 0.07 0.09 0.07 0.00 -2.44 0.00 0.00 57.07 54.85 1bdy s TYR 120 Cb -0.07 -2.18 -0.02 0.00 0.35 0.00 0.00 41.96 40.04 1bdy s TYR 120 CO -0.01 0.06 -0.21 -0.06 -1.34 0.00 0.00 175.55 173.99 1bdy s PHE 121 N 0.82 1.89 -0.19 4.97 0.08 -0.44 -4.92 117.98 120.19 1bdy s PHE 121 Ca 0.06 -0.36 0.19 0.00 0.12 0.00 0.00 56.93 56.94 1bdy s PHE 121 Cb -0.13 -1.21 -0.04 0.00 -0.57 0.00 0.00 43.02 41.07 1bdy s PHE 121 CO 0.02 -0.02 1.00 -0.07 -0.10 0.00 0.00 175.22 176.05 1bdy h LEU 122 N 5.57 0.00 0.00 -0.37 3.38 -1.86 -1.83 115.31 120.20 1bdy h LEU 122 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1bdy h LEU 122 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1bdy h LEU 122 CO 0.48 0.30 0.00 -0.62 0.09 0.00 0.00 178.44 178.68