#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 3.24 0.19 -5.12 0.00 -1.26 -4.81 121.76 114.00 1bdy s ALA 2 Ca 0.00 -0.83 -0.23 0.00 0.00 0.00 0.00 51.96 50.89 1bdy s ALA 2 Cb 0.00 -1.43 -0.08 0.00 0.00 0.00 0.00 23.12 21.61 1bdy s ALA 2 CO 0.00 0.59 0.76 -1.25 0.00 0.00 0.00 175.76 175.87 1bdy s PRO 3 N -0.95 4.45 0.19 0.00 0.04 -1.26 -2.00 135.00 135.47 1bdy s PRO 3 Ca 0.14 1.06 -0.04 0.00 0.04 0.00 0.00 61.00 62.19 1bdy s PRO 3 Cb -0.11 -3.10 -0.03 0.00 0.04 0.00 0.00 34.50 31.29 1bdy s PRO 3 CO 0.03 0.50 0.20 -0.59 0.04 0.00 0.00 177.00 177.18 1bdy s PHE 4 N -1.30 0.86 -0.04 0.56 -0.12 -0.75 -1.63 117.98 115.56 1bdy s PHE 4 Ca 0.39 -1.15 0.07 0.00 -0.05 0.00 0.00 56.93 56.18 1bdy s PHE 4 Cb -0.21 -0.34 -0.02 0.00 -0.63 0.00 0.00 43.02 41.83 1bdy s PHE 4 CO 0.24 -0.70 -0.24 -0.51 -0.05 0.00 0.00 175.22 173.96 1bdy s LEU 5 N -3.09 2.13 -0.23 -1.99 1.43 0.18 -1.84 118.68 115.27 1bdy s LEU 5 Ca 0.31 -0.46 -0.05 0.00 -1.03 0.00 0.00 54.13 52.89 1bdy s LEU 5 Cb 0.05 -1.38 -0.02 0.00 0.03 0.00 0.00 46.19 44.88 1bdy s LEU 5 CO 0.08 0.29 0.01 -0.60 0.23 0.00 0.00 176.35 176.36 1bdy s ARG 6 N -0.44 3.50 0.06 1.70 3.52 -0.10 -1.02 118.95 126.18 1bdy s ARG 6 Ca 0.05 -0.56 0.08 0.00 -0.13 0.00 0.00 55.73 55.17 1bdy s ARG 6 Cb -0.12 -3.14 -0.03 0.00 -1.56 0.00 0.00 34.95 30.10 1bdy s ARG 6 CO 0.01 -0.18 -0.22 0.42 -0.81 0.00 0.00 175.30 174.51 1bdy s ILE 7 N 1.51 1.82 -0.01 4.11 1.01 -0.11 -1.35 121.20 128.18 1bdy s ILE 7 Ca 0.06 -1.34 -0.14 0.00 0.00 0.00 0.00 60.65 59.22 1bdy s ILE 7 Cb -0.15 -1.59 0.02 0.00 0.01 0.00 0.00 42.46 40.76 1bdy s ILE 7 CO -0.00 0.18 0.30 -0.94 0.00 0.00 0.00 174.94 174.48 1bdy s SER 8 N -1.39 -0.17 -0.36 3.58 1.04 -0.78 -1.26 113.70 114.36 1bdy s SER 8 Ca 0.09 0.04 -0.07 0.00 0.48 0.00 0.00 55.95 56.49 1bdy s SER 8 Cb -0.09 0.31 0.06 0.00 0.10 0.00 0.00 66.02 66.39 1bdy s SER 8 CO 0.03 -0.46 0.15 -0.36 0.98 0.00 0.00 173.24 173.58 1bdy s PHE 9 N -1.44 3.31 -0.50 5.02 0.08 -1.26 -1.21 117.98 121.98 1bdy s PHE 9 Ca -0.13 -1.57 0.24 0.00 0.12 0.00 0.00 56.93 55.59 1bdy s PHE 9 Cb -0.05 -2.54 0.33 0.00 -0.57 0.00 0.00 43.02 40.19 1bdy s PHE 9 CO 0.03 -0.79 1.39 -0.91 -0.10 0.00 0.00 175.22 174.85 1bdy h ASN 10 N 8.24 0.00 -5.18 1.36 2.35 -1.57 -0.20 115.58 120.57 1bdy h ASN 10 Ca -0.22 -0.07 0.20 0.00 -0.55 0.00 0.00 56.30 55.66 1bdy h ASN 10 Cb 1.08 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 39.33 1bdy h ASN 10 CO 0.65 0.04 0.59 -0.55 -1.65 0.00 0.00 177.43 176.50 1bdy s SER 11 N -5.03 -0.19 0.05 5.81 0.15 -1.25 -4.65 113.70 108.60 1bdy s SER 11 Ca 0.05 -0.22 -0.05 0.00 0.70 0.00 0.00 55.95 56.43 1bdy s SER 11 Cb 0.10 0.36 -0.02 0.00 -1.71 0.00 0.00 66.02 64.76 1bdy s SER 11 CO 0.71 -0.65 0.09 -0.72 1.20 0.00 0.00 173.24 173.86 1bdy s TYR 12 N -2.99 0.26 -0.08 3.44 1.13 -1.26 -0.77 117.35 117.07 1bdy s TYR 12 Ca 0.11 -0.64 -0.03 0.00 -1.41 0.00 0.00 57.07 55.10 1bdy s TYR 12 Cb 0.00 -0.18 0.05 0.00 -1.10 0.00 0.00 41.96 40.73 1bdy s TYR 12 CO -0.02 -0.40 0.17 -2.00 -2.51 0.00 0.00 175.55 170.79 1bdy s GLU 13 N -3.10 0.08 0.29 -3.49 2.12 -0.39 -5.00 118.70 109.21 1bdy s GLU 13 Ca -0.01 0.50 -0.15 0.00 0.36 0.00 0.00 54.97 55.68 1bdy s GLU 13 Cb 0.02 -0.20 -0.09 0.00 0.26 0.00 0.00 34.13 34.12 1bdy s GLU 13 CO -0.07 -0.24 0.70 -0.51 -0.54 0.00 0.00 175.26 174.61 1bdy s LEU 14 N 1.77 4.12 0.46 2.70 1.43 -1.26 -1.43 118.68 126.48 1bdy s LEU 14 Ca -0.03 1.24 -0.23 0.00 -1.03 0.00 0.00 54.13 54.08 1bdy s LEU 14 Cb -0.12 -3.93 -0.07 0.00 0.03 0.00 0.00 46.19 42.10 1bdy s LEU 14 CO -0.06 -0.15 1.20 -0.83 0.23 0.00 0.00 176.35 176.74 1bdy s GLY 15 N -2.19 2.81 0.00 -3.19 0.00 -1.24 -4.88 107.32 98.62 1bdy s GLY 15 Ca 0.51 1.01 0.00 0.00 0.00 0.00 0.00 44.72 46.24 1bdy s GLY 15 CO 0.18 1.49 0.67 -1.14 0.00 0.00 0.00 173.10 174.30 1bdy n SER 16 N -0.48 0.00 -0.17 1.64 3.41 -1.26 -1.50 113.62 115.26 1bdy n SER 16 Ca 0.07 0.18 0.11 0.00 -0.26 0.00 0.00 58.87 58.97 1bdy n SER 16 Cb 0.47 -0.18 -0.01 0.00 -0.26 0.00 0.00 64.21 64.23 1bdy n SER 16 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1bdy n LEU 17 N -1.17 1.28 -4.20 1.04 4.32 -1.26 -4.89 117.00 112.11 1bdy n LEU 17 Ca 0.00 -0.51 -0.34 0.00 -0.02 0.00 0.00 56.01 55.13 1bdy n LEU 17 Cb 0.31 -0.03 -0.15 0.00 -1.62 0.00 0.00 43.42 41.93 1bdy n LEU 17 CO 0.00 0.27 -0.43 -1.10 -1.22 0.00 0.00 177.39 174.92 1bdy s GLN 18 N -2.80 2.94 0.39 3.23 -0.21 -0.56 -5.09 119.66 117.55 1bdy s GLN 18 Ca 0.13 -0.90 0.04 0.00 0.02 0.00 0.00 55.36 54.65 1bdy s GLN 18 Cb 0.17 -2.91 -0.03 0.00 1.00 0.00 0.00 33.01 31.24 1bdy s GLN 18 CO 0.74 -0.33 0.14 0.00 -2.12 0.00 0.00 175.29 173.71 1bdy s ALA 19 N 1.34 2.73 0.00 6.09 0.00 -1.26 -4.80 121.76 125.86 1bdy s ALA 19 Ca 0.02 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.59 1bdy s ALA 19 Cb -0.16 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.79 1bdy s ALA 19 CO -0.06 -0.37 0.00 -0.85 0.00 0.00 0.00 175.76 174.48 1bdy n GLU 20 N -0.85 0.00 -4.14 0.00 -0.00 -1.26 -5.00 120.64 109.40 1bdy n GLU 20 Ca -0.04 0.00 -0.29 0.00 -0.00 0.00 0.00 57.16 56.83 1bdy n GLU 20 Cb 0.65 0.00 -0.06 0.00 -0.00 0.00 0.00 31.44 32.03 1bdy n GLU 20 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1bdy n ASP 21 N 0.58 0.07 0.00 -1.84 10.43 -1.26 -4.88 116.55 119.66 1bdy n ASP 21 Ca 0.00 -1.13 0.00 0.00 2.57 0.00 0.00 54.79 56.23 1bdy n ASP 21 Cb 0.00 -2.37 0.00 0.00 1.84 0.00 0.00 41.12 40.59 1bdy n ASP 21 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1bdy n ASP 22 N -2.92 0.00 0.00 -2.24 8.00 -1.26 -3.72 116.55 114.41 1bdy n ASP 22 Ca -0.29 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1bdy n ASP 22 Cb 0.68 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 1bdy n ASP 22 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bdy n ALA 23 N -0.83 1.66 -3.10 2.24 0.00 -1.26 -5.01 120.51 114.20 1bdy n ALA 23 Ca 0.00 -0.63 -0.34 0.00 0.00 0.00 0.00 53.44 52.47 1bdy n ALA 23 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1bdy n ALA 23 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1bdy s SER 24 N -0.39 4.65 -0.14 0.00 1.04 -1.24 -5.10 113.70 112.52 1bdy s SER 24 Ca 0.00 -0.22 -0.08 0.00 0.48 0.00 0.00 55.95 56.13 1bdy s SER 24 Cb 0.00 -1.77 -0.04 0.00 0.10 0.00 0.00 66.02 64.30 1bdy s SER 24 CO 0.00 0.10 0.14 -1.10 0.98 0.00 0.00 173.24 173.36 1bdy s GLN 25 N 0.78 3.60 0.60 4.02 -0.21 -1.26 -4.70 119.66 122.49 1bdy s GLN 25 Ca -0.01 -0.14 -0.20 0.00 0.02 0.00 0.00 55.36 55.03 1bdy s GLN 25 Cb -0.14 -3.24 -0.03 0.00 1.00 0.00 0.00 33.01 30.60 1bdy s GLN 25 CO 0.02 0.68 1.29 -1.25 -2.12 0.00 0.00 175.29 173.91 1bdy s PRO 26 N -0.74 2.88 0.27 2.91 0.04 -1.26 -4.98 135.00 134.12 1bdy s PRO 26 Ca 0.14 2.06 0.04 0.00 0.04 0.00 0.00 61.00 63.28 1bdy s PRO 26 Cb -0.12 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.35 1bdy s PRO 26 CO 0.03 -1.34 -0.00 -0.59 0.04 0.00 0.00 177.00 175.13 1bdy s PHE 27 N -1.41 1.77 -0.14 0.56 -0.71 -0.90 -4.96 117.98 112.19 1bdy s PHE 27 Ca 0.77 -0.87 -0.08 0.00 -1.04 0.00 0.00 56.93 55.72 1bdy s PHE 27 Cb -0.37 -1.05 -0.04 0.00 -1.21 0.00 0.00 43.02 40.35 1bdy s PHE 27 CO 0.41 0.06 0.13 0.00 -1.34 0.00 0.00 175.22 174.48 1bdy s ALA 29 N -0.65 2.59 -0.15 0.00 0.00 0.38 -3.89 121.76 120.04 1bdy s ALA 29 Ca 0.13 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.15 1bdy s ALA 29 Cb -0.12 -1.25 0.01 0.00 0.00 0.00 0.00 23.12 21.76 1bdy s ALA 29 CO 0.02 0.12 -0.19 0.08 0.00 0.00 0.00 175.76 175.80 1bdy s VAL 30 N 0.56 2.30 -0.22 0.00 1.01 0.80 -0.88 120.40 123.97 1bdy s VAL 30 Ca -0.08 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.01 1bdy s VAL 30 Cb -0.16 -1.94 0.03 0.00 0.00 0.00 0.00 36.38 34.32 1bdy s VAL 30 CO 0.04 0.54 -0.15 -0.54 0.00 0.00 0.00 175.10 174.98 1bdy s LYS 31 N 0.82 2.73 -0.02 2.72 1.02 -0.15 -1.00 119.74 125.86 1bdy s LYS 31 Ca -0.06 -1.01 -0.23 0.00 0.02 0.00 0.00 55.97 54.68 1bdy s LYS 31 Cb -0.15 -2.73 -0.05 0.00 -0.52 0.00 0.00 37.83 34.38 1bdy s LYS 31 CO -0.01 -0.35 0.69 -1.64 -0.92 0.00 0.00 175.35 173.12 1bdy s MET 32 N 1.24 4.42 -0.04 1.68 -1.94 -1.26 -0.63 119.30 122.76 1bdy s MET 32 Ca -0.00 0.89 0.04 0.00 -1.71 0.00 0.00 55.69 54.91 1bdy s MET 32 Cb -0.16 -3.40 -0.00 0.00 2.01 0.00 0.00 34.83 33.28 1bdy s MET 32 CO -0.09 0.20 -0.17 0.15 -0.01 0.00 0.00 175.02 175.09 1bdy s LYS 33 N 0.32 1.75 0.16 2.03 1.02 -0.40 -4.01 119.74 120.61 1bdy s LYS 33 Ca 0.36 -0.62 0.04 0.00 0.02 0.00 0.00 55.97 55.77 1bdy s LYS 33 Cb -0.19 -1.54 -0.04 0.00 -0.52 0.00 0.00 37.83 35.55 1bdy s LYS 33 CO 0.19 0.27 0.22 -1.21 -0.92 0.00 0.00 175.35 173.89 1bdy s GLU 34 N -0.03 3.19 -0.08 1.68 0.41 -0.29 -1.47 118.70 122.12 1bdy s GLU 34 Ca -0.02 -0.73 -0.19 0.00 -0.41 0.00 0.00 54.97 53.62 1bdy s GLU 34 Cb -0.11 -2.82 -0.05 0.00 -1.78 0.00 0.00 34.13 29.38 1bdy s GLU 34 CO 0.02 0.50 0.52 0.00 -0.49 0.00 0.00 175.26 175.80 1bdy s ALA 35 N -1.75 3.49 0.83 5.21 0.00 -1.26 -1.23 121.76 127.05 1bdy s ALA 35 Ca 0.33 -0.11 -0.12 0.00 0.00 0.00 0.00 51.96 52.06 1bdy s ALA 35 Cb -0.11 -2.67 0.11 0.00 0.00 0.00 0.00 23.12 20.46 1bdy s ALA 35 CO 0.26 0.08 1.19 -0.51 0.00 0.00 0.00 175.76 176.78 1bdy s LEU 36 N 0.28 2.64 0.99 0.00 1.43 0.48 -4.96 118.68 119.53 1bdy s LEU 36 Ca 0.28 0.53 -0.15 0.00 -1.03 0.00 0.00 54.13 53.76 1bdy s LEU 36 Cb -0.16 -2.91 0.18 0.00 0.03 0.00 0.00 46.19 43.34 1bdy s LEU 36 CO 0.13 -2.09 1.17 0.42 0.23 0.00 0.00 176.35 176.21 1bdy s THR 37 N -3.59 1.91 0.33 5.49 -4.23 -1.26 -3.84 115.64 110.44 1bdy s THR 37 Ca 0.65 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 61.23 1bdy s THR 37 Cb -0.09 -2.74 0.31 0.00 1.34 0.00 0.00 72.50 71.32 1bdy s THR 37 CO 0.49 0.00 1.84 0.74 -0.54 0.00 0.00 174.62 177.15 1bdy h THR 38 N -1.77 0.83 0.00 3.99 2.02 -1.97 -0.31 112.91 115.71 1bdy h THR 38 Ca -0.48 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 1bdy h THR 38 Cb 1.30 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1bdy h THR 38 CO 0.51 0.14 -0.01 -2.24 0.37 0.00 0.00 175.52 174.29 1bdy h ASP 39 N 0.79 0.00 -0.45 4.18 2.03 -2.04 -1.72 116.42 119.21 1bdy h ASP 39 Ca 0.49 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.77 1bdy h ASP 39 Cb 0.70 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.19 1bdy h ASP 39 CO -0.26 0.01 0.02 0.54 -1.03 0.00 0.00 179.24 178.52 1bdy n ARG 40 N -3.10 3.90 -1.52 4.15 5.12 -0.20 -4.95 116.66 120.06 1bdy n ARG 40 Ca -0.00 -3.03 -0.15 0.00 -1.93 0.00 0.00 57.85 52.75 1bdy n ARG 40 Cb 0.27 -2.08 -0.06 0.00 -1.16 0.00 0.00 32.46 29.44 1bdy n ARG 40 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1bdy n GLY 41 N 0.03 1.30 3.94 -0.13 0.00 -0.65 -3.23 105.19 106.45 1bdy n GLY 41 Ca 0.26 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 1bdy n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bdy n LYS 42 N -2.56 -5.34 -2.19 1.61 5.02 -0.77 -4.95 118.16 108.99 1bdy n LYS 42 Ca -0.15 0.58 -0.33 0.00 -2.02 0.00 0.00 58.31 56.39 1bdy n LYS 42 Cb 0.50 -5.46 -0.01 0.00 -0.02 0.00 0.00 35.03 30.04 1bdy n LYS 42 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1bdy s THR 43 N -3.30 4.01 0.20 -0.18 2.01 -1.20 -4.51 115.64 112.67 1bdy s THR 43 Ca 0.67 0.98 -0.14 0.00 0.31 0.00 0.00 61.69 63.51 1bdy s THR 43 Cb -0.34 -3.48 -0.07 0.00 0.01 0.00 0.00 72.50 68.62 1bdy s THR 43 CO 0.84 -0.53 0.60 -0.76 -0.69 0.00 0.00 174.62 174.08 1bdy s LEU 44 N -4.29 4.25 -0.08 4.42 1.43 -1.26 -0.39 118.68 122.77 1bdy s LEU 44 Ca 0.63 1.11 -0.04 0.00 -1.03 0.00 0.00 54.13 54.80 1bdy s LEU 44 Cb -0.14 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.58 1bdy s LEU 44 CO 0.34 0.00 0.17 -0.69 0.23 0.00 0.00 176.35 176.40 1bdy s VAL 45 N -1.64 -0.05 -0.26 -1.59 1.01 -0.37 -4.95 120.40 112.56 1bdy s VAL 45 Ca 0.43 0.17 -0.28 0.00 0.00 0.00 0.00 61.98 62.30 1bdy s VAL 45 Cb -0.14 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 35.97 1bdy s VAL 45 CO 0.20 0.07 1.01 -1.58 0.00 0.00 0.00 175.10 174.79 1bdy s GLN 46 N 1.17 4.18 -0.19 2.72 0.74 -1.26 -1.13 119.66 125.89 1bdy s GLN 46 Ca -0.09 1.19 -0.03 0.00 0.05 0.00 0.00 55.36 56.48 1bdy s GLN 46 Cb -0.11 -3.67 -0.11 0.00 1.10 0.00 0.00 33.01 30.22 1bdy s GLN 46 CO -0.07 -0.69 -0.20 1.63 -0.55 0.00 0.00 175.29 175.42 1bdy n LYS 47 N 6.41 0.44 -2.76 1.67 5.02 -1.26 -4.99 118.16 122.69 1bdy n LYS 47 Ca 0.11 0.13 -0.35 0.00 -2.02 0.00 0.00 58.31 56.18 1bdy n LYS 47 Cb 0.47 -1.30 -0.06 0.00 -0.02 0.00 0.00 35.03 34.11 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 -2.36 4.35 0.60 1.97 1.02 -1.26 -5.02 119.74 119.03 1bdy s LYS 48 Ca -0.26 1.26 -0.19 0.00 0.02 0.00 0.00 55.97 56.80 1bdy s LYS 48 Cb 0.08 -2.47 -0.03 0.00 -0.52 0.00 0.00 37.83 34.89 1bdy s LYS 48 CO 0.39 0.07 1.25 -2.14 -0.92 0.00 0.00 175.35 174.00 1bdy s PRO 49 N -2.65 2.91 0.38 -1.68 0.02 -1.26 -4.71 135.00 128.01 1bdy s PRO 49 Ca 0.57 1.95 -0.28 0.00 0.02 0.00 0.00 61.00 63.26 1bdy s PRO 49 Cb -0.15 -1.97 -0.10 0.00 0.02 0.00 0.00 34.50 32.30 1bdy s PRO 49 CO 0.19 -1.29 1.44 0.99 -0.33 0.00 0.00 177.00 178.00 1bdy s THR 50 N -1.49 2.19 0.04 0.99 2.01 -1.26 -4.84 115.64 113.28 1bdy s THR 50 Ca 0.78 0.19 0.03 0.00 0.31 0.00 0.00 61.69 63.00 1bdy s THR 50 Cb -0.34 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 1bdy s THR 50 CO 0.37 0.04 0.00 -0.04 -0.69 0.00 0.00 174.62 174.30 1bdy s MET 51 N -2.10 2.67 -0.58 4.92 -1.94 -0.17 -4.93 119.30 117.17 1bdy s MET 51 Ca 0.53 -0.72 0.05 0.00 -1.71 0.00 0.00 55.69 53.84 1bdy s MET 51 Cb -0.45 -2.61 0.18 0.00 2.01 0.00 0.00 34.83 33.97 1bdy s MET 51 CO 0.60 0.58 0.47 0.66 -0.01 0.00 0.00 175.02 177.32 1bdy n TYR 52 N 0.98 1.64 -2.59 -0.03 4.01 -1.26 -0.14 117.16 119.77 1bdy n TYR 52 Ca -0.13 -3.91 -0.38 0.00 -0.16 0.00 0.00 57.90 53.33 1bdy n TYR 52 Cb 0.52 -0.30 -0.05 0.00 -0.31 0.00 0.00 39.34 39.21 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 -1.04 4.46 0.66 -0.72 0.04 -1.25 -4.97 135.00 132.17 1bdy s PRO 53 Ca 0.30 1.57 -0.17 0.00 0.04 0.00 0.00 61.00 62.74 1bdy s PRO 53 Cb 0.02 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.70 1bdy s PRO 53 CO -0.16 0.11 1.19 -1.21 0.04 0.00 0.00 177.00 176.97 1bdy s GLU 54 N -1.95 2.61 0.29 4.56 0.41 -1.26 -4.47 118.70 118.89 1bdy s GLU 54 Ca 0.51 1.71 -0.30 0.00 -0.41 0.00 0.00 54.97 56.48 1bdy s GLU 54 Cb -0.25 -1.90 -0.11 0.00 -1.78 0.00 0.00 34.13 30.10 1bdy s GLU 54 CO 0.32 -1.46 1.51 -1.58 -0.49 0.00 0.00 175.26 173.55 1bdy s TRP 55 N -1.89 2.83 0.00 1.61 0.52 -1.26 -1.39 118.94 119.36 1bdy s TRP 55 Ca 0.74 0.96 0.00 0.00 0.02 0.00 0.00 56.10 57.82 1bdy s TRP 55 Cb -0.28 -3.96 0.00 0.00 -1.15 0.00 0.00 33.47 28.09 1bdy s TRP 55 CO 0.39 -3.08 0.00 1.63 0.02 0.00 0.00 176.95 175.91 1bdy n LYS 56 N 1.86 0.00 -2.69 4.98 5.02 -0.09 -4.99 118.16 122.25 1bdy n LYS 56 Ca 0.06 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.02 1bdy n LYS 56 Cb 0.39 -1.83 -0.06 0.00 -0.02 0.00 0.00 35.03 33.51 1bdy n LYS 56 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1bdy s SER 57 N -3.72 6.83 0.09 4.39 0.15 -0.49 -4.86 113.70 116.08 1bdy s SER 57 Ca 0.00 1.67 0.02 0.00 0.70 0.00 0.00 55.95 58.34 1bdy s SER 57 Cb 0.00 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.74 1bdy s SER 57 CO 0.00 -0.44 0.16 0.28 1.20 0.00 0.00 173.24 174.44 1bdy s THR 58 N -2.29 4.96 0.01 6.45 -1.32 -1.26 -4.28 115.64 117.90 1bdy s THR 58 Ca 0.61 -0.63 -0.09 0.00 -1.21 0.00 0.00 61.69 60.37 1bdy s THR 58 Cb -0.10 -3.43 0.01 0.00 -1.51 0.00 0.00 72.50 67.47 1bdy s THR 58 CO 0.18 0.09 0.19 0.72 -2.21 0.00 0.00 174.62 173.59 1bdy s PHE 59 N -1.51 -0.00 0.08 9.09 -0.71 -0.38 -4.97 117.98 119.57 1bdy s PHE 59 Ca 0.32 -0.08 0.03 0.00 -1.04 0.00 0.00 56.93 56.17 1bdy s PHE 59 Cb -0.12 -0.01 -0.04 0.00 -1.21 0.00 0.00 43.02 41.64 1bdy s PHE 59 CO 0.25 -0.34 0.07 -0.51 -1.34 0.00 0.00 175.22 173.35 1bdy s ASP 60 N -1.53 5.47 -0.11 1.98 1.01 -1.26 -0.93 116.67 121.30 1bdy s ASP 60 Ca -0.12 -0.02 -0.04 0.00 0.71 0.00 0.00 52.55 53.07 1bdy s ASP 60 Cb -0.06 -1.45 0.06 0.00 1.01 0.00 0.00 42.92 42.48 1bdy s ASP 60 CO 0.01 0.18 0.22 0.00 0.21 0.00 0.00 175.17 175.78 1bdy s ALA 61 N -1.37 -0.37 0.41 5.23 0.00 -0.19 -4.97 121.76 120.50 1bdy s ALA 61 Ca 0.28 0.74 -0.26 0.00 0.00 0.00 0.00 51.96 52.73 1bdy s ALA 61 Cb -0.12 -0.94 -0.09 0.00 0.00 0.00 0.00 23.12 21.97 1bdy s ALA 61 CO 0.21 -0.63 1.26 -1.01 0.00 0.00 0.00 175.76 175.60 1bdy s HIS 62 N 2.36 2.88 -0.30 0.00 3.76 -1.26 -0.65 115.29 122.09 1bdy s HIS 62 Ca 0.02 1.45 -0.20 0.00 -0.15 0.00 0.00 55.06 56.18 1bdy s HIS 62 Cb -0.12 -3.59 -0.01 0.00 1.11 0.00 0.00 32.58 29.97 1bdy s HIS 62 CO -0.07 -1.87 0.64 0.42 -0.85 0.00 0.00 174.74 173.00 1bdy s ILE 63 N -1.30 4.93 0.12 0.60 1.01 -0.64 -4.89 121.20 121.03 1bdy s ILE 63 Ca 0.57 0.90 0.06 0.00 0.00 0.00 0.00 60.65 62.18 1bdy s ILE 63 Cb -0.36 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.07 1bdy s ILE 63 CO 0.46 -0.13 -0.14 -0.31 0.00 0.00 0.00 174.94 174.82 1bdy s TYR 64 N 2.62 1.37 0.25 3.97 2.02 -1.26 -4.84 117.35 121.48 1bdy s TYR 64 Ca 0.26 -0.57 -0.30 0.00 -0.37 0.00 0.00 57.07 56.09 1bdy s TYR 64 Cb -0.15 -0.72 -0.10 0.00 -0.40 0.00 0.00 41.96 40.60 1bdy s TYR 64 CO 0.11 0.13 1.38 -2.00 -1.57 0.00 0.00 175.55 173.61 1bdy s GLU 65 N -2.72 4.31 0.00 -0.62 2.12 -1.26 -2.83 118.70 117.71 1bdy s GLU 65 Ca 0.09 2.22 0.00 0.00 0.36 0.00 0.00 54.97 57.64 1bdy s GLU 65 Cb -0.04 -3.12 0.00 0.00 0.26 0.00 0.00 34.13 31.22 1bdy s GLU 65 CO 0.03 -0.33 0.00 0.41 -0.54 0.00 0.00 175.26 174.82 1bdy n GLY 66 N 1.98 2.53 3.75 -1.50 0.00 -1.26 -4.67 105.19 106.01 1bdy n GLY 66 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.17 4.35 0.11 1.61 3.52 -1.13 -4.02 118.95 123.22 1bdy s ARG 67 Ca 0.00 2.16 0.03 0.00 -0.13 0.00 0.00 55.73 57.80 1bdy s ARG 67 Cb 0.00 -3.14 -0.04 0.00 -1.56 0.00 0.00 34.95 30.21 1bdy s ARG 67 CO 0.00 -0.28 -0.09 0.14 -0.81 0.00 0.00 175.30 174.25 1bdy s VAL 68 N -0.20 0.94 -0.14 7.11 -7.23 -0.54 -2.19 120.40 118.15 1bdy s VAL 68 Ca 0.56 -1.80 0.02 0.00 -1.81 0.00 0.00 61.98 58.95 1bdy s VAL 68 Cb -0.39 -1.53 0.00 0.00 0.56 0.00 0.00 36.38 35.02 1bdy s VAL 68 CO 0.43 -0.67 -0.19 -0.63 -0.31 0.00 0.00 175.10 173.73 1bdy s ILE 69 N -2.88 2.43 -0.24 -0.62 1.01 -0.04 -1.28 121.20 119.57 1bdy s ILE 69 Ca 0.09 -0.86 -0.07 0.00 0.00 0.00 0.00 60.65 59.81 1bdy s ILE 69 Cb 0.00 -1.99 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 1bdy s ILE 69 CO -0.01 0.53 0.07 -1.58 0.00 0.00 0.00 174.94 173.95 1bdy s GLN 70 N 0.66 3.68 -0.23 2.79 0.74 0.19 -1.27 119.66 126.23 1bdy s GLN 70 Ca -0.09 -0.47 -0.07 0.00 0.05 0.00 0.00 55.36 54.78 1bdy s GLN 70 Cb -0.16 -3.30 -0.03 0.00 1.10 0.00 0.00 33.01 30.62 1bdy s GLN 70 CO 0.02 -0.14 0.06 0.42 -0.55 0.00 0.00 175.29 175.11 1bdy s ILE 71 N 1.48 4.43 -0.14 -2.34 1.01 0.26 -0.98 121.20 124.92 1bdy s ILE 71 Ca 0.06 -0.14 0.02 0.00 0.00 0.00 0.00 60.65 60.58 1bdy s ILE 71 Cb -0.15 -3.04 0.01 0.00 0.01 0.00 0.00 42.46 39.29 1bdy s ILE 71 CO 0.03 0.37 -0.19 -0.69 0.00 0.00 0.00 174.94 174.46 1bdy s VAL 72 N 1.25 1.91 -0.33 2.92 1.01 -0.06 -1.01 120.40 126.08 1bdy s VAL 72 Ca 0.05 -0.87 -0.22 0.00 0.00 0.00 0.00 61.98 60.94 1bdy s VAL 72 Cb -0.14 -1.71 -0.00 0.00 0.00 0.00 0.00 36.38 34.52 1bdy s VAL 72 CO 0.03 0.52 0.70 -0.22 0.00 0.00 0.00 175.10 176.13 1bdy s LEU 73 N 1.03 4.15 0.06 3.92 2.96 -0.13 -0.47 118.68 130.20 1bdy s LEU 73 Ca -0.03 0.41 -0.09 0.00 -0.22 0.00 0.00 54.13 54.20 1bdy s LEU 73 Cb -0.14 -2.91 -0.05 0.00 0.50 0.00 0.00 46.19 43.58 1bdy s LEU 73 CO -0.06 -0.58 0.36 -0.04 -1.32 0.00 0.00 176.35 174.72 1bdy s MET 74 N 2.80 3.71 -0.18 1.98 -1.94 0.61 -0.77 119.30 125.51 1bdy s MET 74 Ca 0.28 0.11 -0.04 0.00 -1.71 0.00 0.00 55.69 54.33 1bdy s MET 74 Cb -0.14 -3.02 -0.22 0.00 2.01 0.00 0.00 34.83 33.45 1bdy s MET 74 CO 0.14 0.59 0.12 -2.13 -0.01 0.00 0.00 175.02 173.72 1bdy n ARG 75 N 0.97 0.71 -3.82 2.03 0.63 -0.53 -2.12 116.66 114.53 1bdy n ARG 75 Ca -0.09 0.23 -0.06 0.00 -0.92 0.00 0.00 57.85 57.01 1bdy n ARG 75 Cb 0.52 -1.63 -0.00 0.00 0.45 0.00 0.00 32.46 31.80 1bdy n ARG 75 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1bdy s ALA 76 N -2.54 -1.27 -0.47 5.13 0.00 -1.22 -4.70 121.76 116.69 1bdy s ALA 76 Ca -0.28 -0.30 -0.46 0.00 0.00 0.00 0.00 51.96 50.92 1bdy s ALA 76 Cb 0.08 0.74 -0.19 0.00 0.00 0.00 0.00 23.12 23.74 1bdy s ALA 76 CO 0.69 -1.03 1.63 0.00 0.00 0.00 0.00 175.76 177.05 1bdy n ALA 77 N -0.51 -1.17 -2.33 0.00 0.00 -1.26 -0.07 120.51 115.16 1bdy n ALA 77 Ca -0.05 0.48 -0.13 0.00 0.00 0.00 0.00 53.44 53.74 1bdy n ALA 77 Cb 0.60 -1.96 -0.01 0.00 0.00 0.00 0.00 19.45 18.07 1bdy n ALA 77 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bdy n GLU 78 N 4.26 -2.11 -3.84 0.00 -0.58 -1.26 -4.92 120.64 112.19 1bdy n GLU 78 Ca 0.31 0.63 -0.30 0.00 -0.42 0.00 0.00 57.16 57.38 1bdy n GLU 78 Cb -0.04 -5.20 -0.14 0.00 -0.57 0.00 0.00 31.44 25.50 1bdy n GLU 78 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1bdy s ASP 79 N -2.03 4.03 0.34 1.62 2.15 0.90 -5.11 116.67 118.57 1bdy s ASP 79 Ca 0.00 -2.79 -0.28 0.00 0.43 0.00 0.00 52.55 49.90 1bdy s ASP 79 Cb 0.00 -1.36 -0.10 0.00 -0.30 0.00 0.00 42.92 41.16 1bdy s ASP 79 CO 0.00 -0.25 1.29 -2.84 -0.17 0.00 0.00 175.17 173.19 1bdy s PRO 80 N 0.06 4.32 -0.24 4.34 0.02 -1.26 -1.45 135.00 140.78 1bdy s PRO 80 Ca 0.17 2.17 -0.11 0.00 0.02 0.00 0.00 61.00 63.25 1bdy s PRO 80 Cb -0.25 -3.03 -0.11 0.00 0.02 0.00 0.00 34.50 31.13 1bdy s PRO 80 CO -0.00 -0.20 -0.30 -0.12 -0.33 0.00 0.00 177.00 176.04 1bdy n MET 81 N 0.71 0.52 -3.86 5.54 1.56 0.05 -4.82 117.12 116.82 1bdy n MET 81 Ca 0.00 0.21 -0.08 0.00 -0.27 0.00 0.00 57.70 57.57 1bdy n MET 81 Cb 0.42 -1.37 -0.01 0.00 2.15 0.00 0.00 33.22 34.41 1bdy n MET 81 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 1bdy s SER 82 N -7.06 -0.17 0.25 6.12 1.04 -1.18 -4.54 113.70 108.16 1bdy s SER 82 Ca -0.33 -0.77 -0.22 0.00 0.48 0.00 0.00 55.95 55.11 1bdy s SER 82 Cb 0.12 0.75 0.03 0.00 0.10 0.00 0.00 66.02 67.02 1bdy s SER 82 CO 0.44 -1.42 0.70 -1.83 0.98 0.00 0.00 173.24 172.11 1bdy s GLU 83 N -3.54 1.66 -0.09 4.02 -1.05 0.05 -0.96 118.70 118.80 1bdy s GLU 83 Ca 0.13 -0.87 -0.24 0.00 -0.15 0.00 0.00 54.97 53.84 1bdy s GLU 83 Cb -0.05 0.60 0.06 0.00 -0.44 0.00 0.00 34.13 34.29 1bdy s GLU 83 CO 0.08 -0.76 0.57 0.54 0.95 0.00 0.00 175.26 176.64 1bdy s VAL 84 N -3.87 0.01 -0.08 1.83 0.11 -0.18 -0.59 120.40 117.63 1bdy s VAL 84 Ca 0.09 -0.12 0.04 0.00 -2.93 0.00 0.00 61.98 59.06 1bdy s VAL 84 Cb -0.05 -0.86 -0.01 0.00 -1.53 0.00 0.00 36.38 33.93 1bdy s VAL 84 CO 0.02 -0.06 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.64 1bdy s THR 85 N -0.83 2.46 0.03 5.04 2.01 -1.26 -0.57 115.64 122.52 1bdy s THR 85 Ca -0.09 -0.90 0.04 0.00 0.31 0.00 0.00 61.69 61.04 1bdy s THR 85 Cb -0.02 -1.95 -0.02 0.00 0.01 0.00 0.00 72.50 70.52 1bdy s THR 85 CO 0.06 0.56 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.75 1bdy s VAL 86 N -0.03 0.85 0.02 3.82 1.01 -0.40 -5.00 120.40 120.68 1bdy s VAL 86 Ca -0.06 -0.87 -0.23 0.00 0.00 0.00 0.00 61.98 60.83 1bdy s VAL 86 Cb -0.15 -0.79 -0.06 0.00 0.00 0.00 0.00 36.38 35.39 1bdy s VAL 86 CO 0.05 -0.06 0.67 -0.83 0.00 0.00 0.00 175.10 174.93 1bdy s GLY 87 N -1.04 2.70 0.28 4.51 0.00 -1.26 -0.86 107.32 111.65 1bdy s GLY 87 Ca -0.01 0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.86 1bdy s GLY 87 CO 0.01 0.89 1.80 -2.08 0.00 0.00 0.00 173.10 173.72 1bdy h VAL 88 N 4.09 1.23 -0.56 1.40 2.07 -1.79 -2.80 116.25 119.87 1bdy h VAL 88 Ca -0.45 -0.94 -0.09 0.00 0.82 0.00 0.00 66.70 66.05 1bdy h VAL 88 Cb 1.20 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1bdy h VAL 88 CO 0.70 0.33 0.00 0.28 0.02 0.00 0.00 177.57 178.90 1bdy h SER 89 N 0.67 0.97 -0.44 0.57 0.02 -1.87 -1.22 113.55 112.25 1bdy h SER 89 Ca 0.14 -0.30 -0.07 0.00 -0.84 0.00 0.00 61.79 60.72 1bdy h SER 89 Cb 0.41 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 1bdy h SER 89 CO 0.02 1.04 0.05 0.58 -1.14 0.00 0.00 176.83 177.38 1bdy h VAL 90 N 0.88 1.24 -0.23 2.27 2.07 -1.94 -0.91 116.25 119.63 1bdy h VAL 90 Ca 0.16 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 1bdy h VAL 90 Cb 0.54 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1bdy h VAL 90 CO 0.03 0.34 0.06 -0.07 0.02 0.00 0.00 177.57 177.95 1bdy h LEU 91 N 0.78 0.34 -0.79 2.57 3.38 -1.24 -1.25 115.31 119.09 1bdy h LEU 91 Ca 0.16 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1bdy h LEU 91 Cb 0.39 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1bdy h LEU 91 CO 0.01 0.47 0.52 0.00 0.09 0.00 0.00 178.44 179.53 1bdy h ALA 92 N 0.88 1.03 -0.39 1.53 0.00 -0.88 -1.60 119.26 119.83 1bdy h ALA 92 Ca 0.07 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1bdy h ALA 92 Cb 0.26 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1bdy h ALA 92 CO -0.00 0.37 -0.13 0.93 0.00 0.00 0.00 179.25 180.42 1bdy h GLU 93 N 1.03 0.70 -0.49 0.00 4.39 -1.03 -1.80 114.58 117.39 1bdy h GLU 93 Ca 0.30 -0.23 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 1bdy h GLU 93 Cb -0.06 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 1bdy h GLU 93 CO -0.09 0.80 0.19 -0.09 -1.16 0.00 0.00 179.01 178.67 1bdy h ARG 94 N 0.63 0.74 -0.37 2.33 9.65 -0.60 -2.63 114.38 124.12 1bdy h ARG 94 Ca 0.11 -0.14 -0.08 0.00 -1.10 0.00 0.00 59.98 58.77 1bdy h ARG 94 Cb 0.59 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.04 1bdy h ARG 94 CO 0.04 0.66 -0.07 0.00 2.80 0.00 0.00 179.97 183.40 1bdy h LYS 96 N 0.51 0.74 -0.00 0.00 1.57 -1.25 0.34 116.57 118.48 1bdy h LYS 96 Ca 0.10 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1bdy h LYS 96 Cb 0.57 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1bdy h LYS 96 CO 0.03 0.49 -0.00 1.63 -0.57 0.00 0.00 179.45 181.03 1bdy n LYS 97 N -4.76 0.76 -0.81 3.15 5.02 -1.00 -3.42 118.16 117.09 1bdy n LYS 97 Ca 0.12 -0.02 0.04 0.00 -2.02 0.00 0.00 58.31 56.43 1bdy n LYS 97 Cb 0.25 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 33.94 1bdy n LYS 97 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1bdy n ASN 98 N -1.10 1.76 -3.10 4.39 3.02 -0.52 -4.98 115.26 114.74 1bdy n ASN 98 Ca 0.20 -3.62 -0.21 0.00 -0.03 0.00 0.00 54.58 50.92 1bdy n ASN 98 Cb 0.17 -0.49 0.06 0.00 -0.61 0.00 0.00 39.78 38.92 1bdy n ASN 98 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1bdy n ASN 99 N -0.87 -5.88 0.00 6.41 3.02 -1.08 -3.36 115.26 113.51 1bdy n ASN 99 Ca 0.18 -0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 1bdy n ASN 99 Cb 0.77 -4.57 0.00 0.00 -0.61 0.00 0.00 39.78 35.37 1bdy n ASN 99 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bdy n GLY 100 N -1.73 1.40 2.94 7.41 0.00 0.11 -5.02 105.19 110.30 1bdy n GLY 100 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 1bdy n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bdy s LYS 101 N -0.42 0.21 -0.04 1.61 3.01 -1.21 -1.14 119.74 121.75 1bdy s LYS 101 Ca 0.00 -0.32 -0.05 0.00 -1.01 0.00 0.00 55.97 54.59 1bdy s LYS 101 Cb 0.00 -0.02 0.01 0.00 -1.01 0.00 0.00 37.83 36.81 1bdy s LYS 101 CO 0.00 -0.00 0.12 0.00 0.51 0.00 0.00 175.35 175.98 1bdy s ALA 102 N -0.70 -0.30 -0.06 5.17 0.00 -0.66 -4.68 121.76 120.53 1bdy s ALA 102 Ca -0.07 0.29 -0.03 0.00 0.00 0.00 0.00 51.96 52.15 1bdy s ALA 102 Cb -0.05 -0.17 0.04 0.00 0.00 0.00 0.00 23.12 22.94 1bdy s ALA 102 CO -0.00 -0.08 0.12 -2.00 0.00 0.00 0.00 175.76 173.80 1bdy s GLU 103 N -0.11 0.02 0.15 0.00 2.12 -1.26 -0.65 118.70 118.97 1bdy s GLU 103 Ca -0.02 0.44 -0.21 0.00 0.36 0.00 0.00 54.97 55.54 1bdy s GLU 103 Cb -0.02 -0.30 0.06 0.00 0.26 0.00 0.00 34.13 34.13 1bdy s GLU 103 CO 0.00 -0.26 0.55 -0.59 -0.54 0.00 0.00 175.26 174.42 1bdy s PHE 104 N 1.88 -0.44 0.03 5.30 -0.12 -0.71 -5.01 117.98 118.91 1bdy s PHE 104 Ca -0.01 0.19 -0.21 0.00 -0.05 0.00 0.00 56.93 56.85 1bdy s PHE 104 Cb -0.12 0.48 -0.06 0.00 -0.63 0.00 0.00 43.02 42.69 1bdy s PHE 104 CO -0.05 -0.82 0.62 -1.58 -0.05 0.00 0.00 175.22 173.34 1bdy s TRP 105 N -3.77 3.73 -0.16 3.49 0.52 -1.26 -1.10 118.94 120.38 1bdy s TRP 105 Ca 0.02 1.28 0.01 0.00 0.02 0.00 0.00 56.10 57.42 1bdy s TRP 105 Cb -0.00 -2.62 0.02 0.00 -1.15 0.00 0.00 33.47 29.71 1bdy s TRP 105 CO -0.12 0.40 -0.18 -1.17 0.02 0.00 0.00 176.95 175.90 1bdy s LEU 106 N -0.42 1.97 0.28 2.99 2.96 0.15 -4.96 118.68 121.65 1bdy s LEU 106 Ca 0.32 -0.59 -0.29 0.00 -0.22 0.00 0.00 54.13 53.35 1bdy s LEU 106 Cb -0.19 -1.37 -0.10 0.00 0.50 0.00 0.00 46.19 45.04 1bdy s LEU 106 CO 0.19 -0.01 1.20 -1.81 -1.32 0.00 0.00 176.35 174.60 1bdy s ASP 107 N 1.32 7.04 0.12 3.68 1.01 -1.26 -1.90 116.67 126.68 1bdy s ASP 107 Ca 0.04 2.42 0.06 0.00 0.71 0.00 0.00 52.55 55.78 1bdy s ASP 107 Cb -0.13 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.13 1bdy s ASP 107 CO -0.11 -0.34 -0.04 -0.76 0.21 0.00 0.00 175.17 174.13 1bdy s LEU 108 N -1.28 3.27 -0.14 1.23 1.43 0.78 -4.85 118.68 119.12 1bdy s LEU 108 Ca 0.48 -0.32 -0.07 0.00 -1.03 0.00 0.00 54.13 53.19 1bdy s LEU 108 Cb -0.35 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.83 1bdy s LEU 108 CO 0.44 0.15 0.10 -1.10 0.23 0.00 0.00 176.35 176.17 1bdy s GLN 109 N -2.49 3.63 0.00 1.70 -0.21 0.24 -2.51 119.66 120.02 1bdy s GLN 109 Ca 0.25 -0.23 0.26 0.00 0.02 0.00 0.00 55.36 55.66 1bdy s GLN 109 Cb -0.11 -3.19 0.68 0.00 1.00 0.00 0.00 33.01 31.40 1bdy s GLN 109 CO 0.17 0.57 1.52 -0.35 -2.12 0.00 0.00 175.29 175.08 1bdy n PRO 110 N 2.62 0.52 0.00 2.91 -0.04 -1.26 -0.77 135.00 138.97 1bdy n PRO 110 Ca -0.18 -0.30 0.00 0.00 -0.04 0.00 0.00 63.50 62.98 1bdy n PRO 110 Cb 0.54 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 1bdy n PRO 110 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1bdy n GLN 111 N -0.98 0.29 -0.90 0.54 6.02 -1.04 -5.12 117.38 116.19 1bdy n GLN 111 Ca 0.10 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 57.06 1bdy n GLN 111 Cb 0.34 -0.54 0.02 0.00 1.02 0.00 0.00 30.24 31.08 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 -0.67 0.03 -3.18 -1.58 0.00 -1.24 -3.73 120.51 110.13 1bdy n ALA 112 Ca 0.00 -0.27 -0.13 0.00 0.00 0.00 0.00 53.44 53.04 1bdy n ALA 112 Cb 0.04 0.05 -0.10 0.00 0.00 0.00 0.00 19.45 19.43 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 -2.74 0.45 0.08 0.00 -2.85 -0.51 -0.15 119.74 114.01 1bdy s LYS 113 Ca 0.09 0.13 0.10 0.00 -1.00 0.00 0.00 55.97 55.28 1bdy s LYS 113 Cb -0.01 0.21 -0.03 0.00 -2.06 0.00 0.00 37.83 35.94 1bdy s LYS 113 CO 0.06 -0.09 -0.25 0.14 0.10 0.00 0.00 175.35 175.31 1bdy s VAL 114 N -0.47 2.07 -0.35 1.79 -7.23 -0.80 -1.26 120.40 114.16 1bdy s VAL 114 Ca -0.06 -1.51 -0.18 0.00 -1.81 0.00 0.00 61.98 58.42 1bdy s VAL 114 Cb -0.04 -1.81 -0.00 0.00 0.56 0.00 0.00 36.38 35.09 1bdy s VAL 114 CO 0.02 0.20 0.50 -0.22 -0.31 0.00 0.00 175.10 175.29 1bdy s LEU 115 N -1.59 4.35 -0.06 1.32 2.96 0.05 -0.67 118.68 125.03 1bdy s LEU 115 Ca 0.11 -0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 53.98 1bdy s LEU 115 Cb -0.10 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.99 1bdy s LEU 115 CO 0.04 -0.46 -0.01 -0.32 -1.32 0.00 0.00 176.35 174.28 1bdy s MET 116 N 2.36 2.90 -0.12 1.98 -2.45 -0.26 -1.32 119.30 122.40 1bdy s MET 116 Ca 0.18 -0.48 0.02 0.00 -1.25 0.00 0.00 55.69 54.17 1bdy s MET 116 Cb -0.16 -2.74 0.01 0.00 1.25 0.00 0.00 34.83 33.20 1bdy s MET 116 CO 0.13 0.68 -0.19 0.00 1.05 0.00 0.00 175.02 176.69 1bdy s VAL 118 N 0.83 1.80 -0.04 0.00 1.01 0.18 -1.87 120.40 122.31 1bdy s VAL 118 Ca -0.09 -1.25 0.01 0.00 0.00 0.00 0.00 61.98 60.66 1bdy s VAL 118 Cb -0.16 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.69 1bdy s VAL 118 CO -0.00 0.26 -0.05 -1.10 0.00 0.00 0.00 175.10 174.21 1bdy s GLN 119 N -1.18 0.83 -0.20 2.72 -0.21 -0.46 -1.65 119.66 119.51 1bdy s GLN 119 Ca 0.09 -0.13 -0.12 0.00 0.02 0.00 0.00 55.36 55.22 1bdy s GLN 119 Cb -0.09 -0.82 -0.05 0.00 1.00 0.00 0.00 33.01 33.05 1bdy s GLN 119 CO 0.02 -0.05 0.21 -0.47 -2.12 0.00 0.00 175.29 172.88 1bdy s TYR 120 N 0.79 3.40 0.21 0.91 5.04 -0.29 -0.92 117.35 126.48 1bdy s TYR 120 Ca -0.11 0.41 0.00 0.00 -2.44 0.00 0.00 57.07 54.94 1bdy s TYR 120 Cb -0.14 -2.28 -0.05 0.00 0.35 0.00 0.00 41.96 39.85 1bdy s TYR 120 CO 0.00 0.19 0.08 -0.06 -1.34 0.00 0.00 175.55 174.43 1bdy s PHE 121 N 0.66 1.27 -0.01 4.97 0.08 -0.77 -4.89 117.98 119.29 1bdy s PHE 121 Ca 0.11 -1.22 0.03 0.00 0.12 0.00 0.00 56.93 55.97 1bdy s PHE 121 Cb -0.13 -0.70 -0.00 0.00 -0.57 0.00 0.00 43.02 41.62 1bdy s PHE 121 CO 0.02 -0.43 -0.09 -0.51 -0.10 0.00 0.00 175.22 174.11 1bdy s LEU 122 N -3.21 1.91 0.00 -0.37 2.01 -1.26 -1.82 118.68 115.94 1bdy s LEU 122 Ca 0.34 -0.17 0.00 0.00 0.01 0.00 0.00 54.13 54.31 1bdy s LEU 122 Cb 0.07 -0.50 0.00 0.00 0.01 0.00 0.00 46.19 45.78 1bdy s LEU 122 CO 0.10 0.09 0.00 -0.62 1.01 0.00 0.00 176.35 176.93