#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jsg s MET 2 N 0.00 0.34 -0.09 -0.52 0.23 -0.69 -1.25 119.30 117.32 3jsg s MET 2 Ca 0.00 -0.12 0.02 0.00 -1.03 0.00 0.00 55.69 54.56 3jsg s MET 2 Cb 0.00 -0.34 0.01 0.00 -1.53 0.00 0.00 34.83 32.97 3jsg s MET 2 CO 0.00 0.06 -0.16 0.12 -2.03 0.00 0.00 175.02 173.01 3jsg s PHE 3 N 0.02 1.93 -0.08 3.16 5.36 -0.20 -1.11 117.98 127.05 3jsg s PHE 3 Ca 0.00 -0.83 0.05 0.00 -0.96 0.00 0.00 56.93 55.19 3jsg s PHE 3 Cb -0.03 -1.37 -0.00 0.00 -0.34 0.00 0.00 43.02 41.28 3jsg s PHE 3 CO -0.00 -0.40 -0.24 0.42 -1.46 0.00 0.00 175.22 173.53 3jsg s ILE 4 N 0.76 2.05 -0.18 3.12 1.09 -0.39 -0.94 121.20 126.70 3jsg s ILE 4 Ca -0.11 -1.03 0.01 0.00 -1.10 0.00 0.00 60.65 58.41 3jsg s ILE 4 Cb -0.16 -1.75 0.02 0.00 -1.06 0.00 0.00 42.46 39.51 3jsg s ILE 4 CO 0.02 0.56 -0.19 -0.69 -0.10 0.00 0.00 174.94 174.54 3jsg s VAL 5 N 0.13 2.10 -0.16 2.92 1.01 0.09 -1.23 120.40 125.26 3jsg s VAL 5 Ca -0.12 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 60.86 3jsg s VAL 5 Cb -0.16 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 3jsg s VAL 5 CO 0.07 0.52 -0.02 0.20 0.00 0.00 0.00 175.10 175.87 3jsg s ASN 6 N 1.29 4.98 0.03 3.32 0.01 -0.34 -0.14 114.94 124.09 3jsg s ASN 6 Ca 0.05 -0.08 -0.11 0.00 -0.71 0.00 0.00 52.86 52.01 3jsg s ASN 6 Cb -0.13 -1.80 0.01 0.00 0.41 0.00 0.00 41.25 39.74 3jsg s ASN 6 CO -0.12 0.18 0.24 0.28 -1.51 0.00 0.00 177.10 176.16 3jsg s THR 7 N 0.30 0.09 -2.16 1.60 -1.32 -0.30 -0.81 115.64 113.03 3jsg s THR 7 Ca -0.02 -0.77 0.28 0.00 -1.21 0.00 0.00 61.69 59.97 3jsg s THR 7 Cb -0.14 -0.85 0.51 0.00 -1.51 0.00 0.00 72.50 70.52 3jsg s THR 7 CO 0.02 -0.42 1.77 -0.46 -2.21 0.00 0.00 174.62 173.32 3jsg n ASN 8 N 0.78 1.10 -4.76 8.08 6.94 -1.22 -1.17 115.26 125.01 3jsg n ASN 8 Ca -0.19 -1.18 -0.41 0.00 -0.02 0.00 0.00 54.58 52.77 3jsg n ASN 8 Cb 0.58 0.02 -0.01 0.00 -2.36 0.00 0.00 39.78 38.01 3jsg n ASN 8 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3jsg s VAL 9 N -2.18 2.35 0.61 3.53 1.01 -1.26 -4.25 120.40 120.21 3jsg s VAL 9 Ca 0.35 0.32 -0.18 0.00 0.00 0.00 0.00 61.98 62.47 3jsg s VAL 9 Cb 0.21 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 3jsg s VAL 9 CO 0.40 0.06 1.16 -2.84 0.00 0.00 0.00 175.10 173.88 3jsg s PRO 10 N -1.14 2.93 0.31 2.72 0.02 -1.26 -1.14 135.00 137.44 3jsg s PRO 10 Ca 0.57 1.66 0.03 0.00 0.02 0.00 0.00 61.00 63.27 3jsg s PRO 10 Cb -0.44 -1.94 0.61 0.00 0.02 0.00 0.00 34.50 32.74 3jsg s PRO 10 CO 0.52 -1.20 1.87 -0.09 -0.33 0.00 0.00 177.00 177.77 3jsg h ARG 11 N 0.62 0.91 0.00 5.54 2.43 -1.93 -1.25 114.38 120.71 3jsg h ARG 11 Ca -0.49 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.62 3jsg h ARG 11 Cb 1.28 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.62 3jsg h ARG 11 CO 0.55 0.60 -0.03 0.00 -1.51 0.00 0.00 179.97 179.58 3jsg h ALA 12 N 1.54 1.13 -0.00 2.80 0.00 -2.03 -1.47 119.26 121.23 3jsg h ALA 12 Ca 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3jsg h ALA 12 Cb 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3jsg h ALA 12 CO -0.20 0.04 -0.28 0.43 0.00 0.00 0.00 179.25 179.23 3jsg n SER 13 N -3.31 0.66 -4.64 0.00 7.64 -0.47 -4.76 113.62 108.73 3jsg n SER 13 Ca -0.02 -0.51 -0.43 0.00 1.01 0.00 0.00 58.87 58.92 3jsg n SER 13 Cb 0.16 0.08 -0.02 0.00 -1.01 0.00 0.00 64.21 63.41 3jsg n SER 13 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3jsg s VAL 14 N -2.69 4.36 0.49 0.44 1.01 -0.55 -4.78 120.40 118.68 3jsg s VAL 14 Ca 0.20 1.59 -0.20 0.00 0.00 0.00 0.00 61.98 63.57 3jsg s VAL 14 Cb 0.19 -4.25 -0.08 0.00 0.00 0.00 0.00 36.38 32.24 3jsg s VAL 14 CO 0.57 -0.39 1.04 -2.16 0.00 0.00 0.00 175.10 174.16 3jsg s PRO 15 N 3.75 3.79 0.18 2.72 0.04 -1.26 -4.98 135.00 139.24 3jsg s PRO 15 Ca 0.50 1.35 -0.33 0.00 0.04 0.00 0.00 61.00 62.56 3jsg s PRO 15 Cb -0.16 -2.09 -0.14 0.00 0.04 0.00 0.00 34.50 32.15 3jsg s PRO 15 CO 0.17 -0.44 1.46 -0.25 0.04 0.00 0.00 177.00 177.98 3jsg n ASP 16 N -1.01 2.66 0.00 6.66 10.43 -1.26 -2.32 116.55 131.72 3jsg n ASP 16 Ca 0.09 1.11 0.00 0.00 2.57 0.00 0.00 54.79 58.56 3jsg n ASP 16 Cb 0.53 -1.38 0.00 0.00 1.84 0.00 0.00 41.12 42.11 3jsg n ASP 16 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3jsg n GLY 17 N 2.80 0.26 0.05 0.44 0.00 -1.26 -4.99 105.19 102.49 3jsg n GLY 17 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 3jsg n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3jsg h PHE 18 N 0.00 -0.01 -0.58 1.61 3.57 -1.85 0.43 116.94 120.12 3jsg h PHE 18 Ca 0.00 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 3jsg h PHE 18 Cb 0.00 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 3jsg h PHE 18 CO 0.00 0.17 0.29 -0.07 -2.23 0.00 0.00 178.31 176.47 3jsg h LEU 19 N -0.19 0.72 -0.38 0.59 4.07 -1.94 -1.01 115.31 117.17 3jsg h LEU 19 Ca -0.00 -0.06 -0.18 0.00 0.08 0.00 0.00 57.88 57.71 3jsg h LEU 19 Cb 0.19 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 41.74 3jsg h LEU 19 CO 0.00 0.61 -0.63 0.28 -1.08 0.00 0.00 178.44 177.62 3jsg h SER 20 N 0.81 0.73 -0.39 -0.43 0.02 -1.90 -1.06 113.55 111.32 3jsg h SER 20 Ca 0.20 -0.42 -0.04 0.00 -0.84 0.00 0.00 61.79 60.69 3jsg h SER 20 Cb 0.07 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 3jsg h SER 20 CO -0.03 1.18 0.08 -0.08 -1.14 0.00 0.00 176.83 176.84 3jsg h GLU 21 N 0.47 0.64 -0.53 3.45 4.81 -0.49 -0.73 114.58 122.20 3jsg h GLU 21 Ca -0.01 -0.16 0.03 0.00 -0.13 0.00 0.00 59.36 59.09 3jsg h GLU 21 Cb 1.21 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.48 3jsg h GLU 21 CO 0.12 0.68 0.31 -0.07 -0.73 0.00 0.00 179.01 179.32 3jsg h LEU 22 N 0.49 0.49 -0.09 1.64 3.38 -1.12 0.14 115.31 120.23 3jsg h LEU 22 Ca 0.12 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3jsg h LEU 22 Cb 0.34 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3jsg h LEU 22 CO 0.00 0.34 0.05 0.74 0.09 0.00 0.00 178.44 179.66 3jsg h THR 23 N 0.61 1.00 -0.26 0.22 2.02 -0.94 -0.97 112.91 114.59 3jsg h THR 23 Ca 0.22 -0.03 -0.05 0.00 0.77 0.00 0.00 66.41 67.31 3jsg h THR 23 Cb 0.05 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 3jsg h THR 23 CO -0.11 0.02 -0.03 -0.61 0.37 0.00 0.00 175.52 175.16 3jsg h GLN 24 N 0.10 0.47 -0.10 6.66 -0.00 -0.91 -1.58 115.11 119.75 3jsg h GLN 24 Ca 0.04 -0.17 -0.11 0.00 -0.00 0.00 0.00 58.65 58.41 3jsg h GLN 24 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.44 3jsg h GLN 24 CO -0.02 0.67 -0.43 1.96 0.00 0.00 0.00 178.83 181.00 3jsg h GLN 25 N 0.23 0.22 -0.11 1.69 1.08 -0.93 -2.07 115.11 115.22 3jsg h GLN 25 Ca 0.07 -0.11 -0.17 0.00 -1.45 0.00 0.00 58.65 56.99 3jsg h GLN 25 Cb 0.48 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.90 3jsg h GLN 25 CO 0.02 0.62 -0.64 -0.07 -0.95 0.00 0.00 178.83 177.81 3jsg h LEU 26 N 0.18 0.47 -0.36 1.46 3.38 -1.10 -0.37 115.31 118.98 3jsg h LEU 26 Ca 0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3jsg h LEU 26 Cb 0.84 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3jsg h LEU 26 CO 0.07 0.98 0.20 0.00 0.09 0.00 0.00 178.44 179.78 3jsg h ALA 27 N 1.02 0.46 -0.52 1.53 0.00 -1.06 -0.82 119.26 119.87 3jsg h ALA 27 Ca -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3jsg h ALA 27 Cb 1.18 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3jsg h ALA 27 CO 0.11 -0.02 0.21 0.37 0.00 0.00 0.00 179.25 179.92 3jsg h GLN 28 N 0.45 0.77 -0.33 0.00 5.75 -1.28 -0.10 115.11 120.38 3jsg h GLN 28 Ca 0.13 -0.14 -0.15 0.00 -0.15 0.00 0.00 58.65 58.34 3jsg h GLN 28 Cb 0.05 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 3jsg h GLN 28 CO -0.02 0.67 -0.38 0.00 -2.65 0.00 0.00 178.83 176.46 3jsg h ALA 29 N 1.06 0.71 0.00 3.38 0.00 -0.86 -3.13 119.26 120.42 3jsg h ALA 29 Ca 0.17 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3jsg h ALA 29 Cb 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3jsg h ALA 29 CO -0.02 0.66 -0.64 0.25 0.00 0.00 0.00 179.25 179.51 3jsg n THR 30 N -4.05 0.06 -1.50 0.00 -2.24 -0.33 -4.94 114.28 101.27 3jsg n THR 30 Ca -0.02 -0.06 -0.10 0.00 -2.27 0.00 0.00 64.05 61.60 3jsg n THR 30 Cb 0.52 0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 69.02 3jsg n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jsg n GLY 31 N 1.47 0.88 3.56 3.38 0.00 -0.09 -5.01 105.19 109.38 3jsg n GLY 31 Ca 0.05 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.21 3jsg n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jsg s LYS 32 N -3.24 2.34 0.46 1.61 1.02 -0.97 -5.04 119.74 115.91 3jsg s LYS 32 Ca 0.00 -0.86 -0.25 0.00 0.02 0.00 0.00 55.97 54.88 3jsg s LYS 32 Cb 0.00 -2.38 -0.08 0.00 -0.52 0.00 0.00 37.83 34.85 3jsg s LYS 32 CO 0.00 0.56 1.44 -0.35 -0.92 0.00 0.00 175.35 176.08 3jsg n PRO 33 N 1.35 2.25 0.32 -1.68 -0.04 -1.26 -4.50 135.00 131.44 3jsg n PRO 33 Ca -0.15 0.80 0.20 0.00 -0.04 0.00 0.00 63.50 64.32 3jsg n PRO 33 Cb 0.52 -2.64 1.09 0.00 -0.04 0.00 0.00 33.50 32.43 3jsg n PRO 33 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3jsg h PRO 34 N 2.28 0.00 -0.01 0.54 0.13 -1.91 -2.05 132.00 130.97 3jsg h PRO 34 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3jsg h PRO 34 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 3jsg h PRO 34 CO 0.61 0.01 0.02 1.96 -0.23 0.00 0.00 178.00 180.37 3jsg h GLN 35 N 0.00 0.00 0.00 0.86 7.50 -1.98 -1.77 115.11 119.73 3jsg h GLN 35 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3jsg h GLN 35 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.60 3jsg h GLN 35 CO 0.00 0.00 -0.81 1.88 -1.50 0.00 0.00 178.83 178.40 3jsg h TYR 36 N 0.00 0.00 -3.35 2.96 0.05 -1.73 -3.47 116.97 111.42 3jsg h TYR 36 Ca 0.01 0.00 -0.57 0.00 0.05 0.00 0.00 58.73 58.22 3jsg h TYR 36 Cb 0.05 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.73 3jsg h TYR 36 CO 0.00 0.00 0.21 0.42 -1.05 0.00 0.00 178.16 177.74 3jsg s ILE 37 N -3.23 4.97 -0.08 -2.88 -1.09 -0.67 -3.90 121.20 114.33 3jsg s ILE 37 Ca 0.04 1.52 0.01 0.00 -2.23 0.00 0.00 60.65 59.99 3jsg s ILE 37 Cb 0.12 -4.08 -0.03 0.00 -1.58 0.00 0.00 42.46 36.90 3jsg s ILE 37 CO 0.76 0.15 -0.10 0.00 -1.23 0.00 0.00 174.94 174.51 3jsg s ALA 38 N 1.41 2.81 0.04 9.38 0.00 -0.38 -5.03 121.76 129.98 3jsg s ALA 38 Ca 0.38 -0.92 0.05 0.00 0.00 0.00 0.00 51.96 51.47 3jsg s ALA 38 Cb -0.17 -1.15 -0.02 0.00 0.00 0.00 0.00 23.12 21.77 3jsg s ALA 38 CO 0.16 0.49 -0.14 0.08 0.00 0.00 0.00 175.76 176.35 3jsg s VAL 39 N -0.51 1.11 -0.10 0.00 1.01 -1.26 -1.04 120.40 119.61 3jsg s VAL 39 Ca 0.07 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 3jsg s VAL 39 Cb -0.12 -1.01 0.05 0.00 0.00 0.00 0.00 36.38 35.31 3jsg s VAL 39 CO 0.02 0.01 0.19 -2.28 0.00 0.00 0.00 175.10 173.04 3jsg s HIS 40 N -0.84 -0.25 -0.12 5.22 5.04 -0.12 -4.97 115.29 119.25 3jsg s HIS 40 Ca 0.02 0.68 0.03 0.00 -1.54 0.00 0.00 55.06 54.25 3jsg s HIS 40 Cb -0.08 -0.21 0.00 0.00 0.04 0.00 0.00 32.58 32.34 3jsg s HIS 40 CO 0.01 -0.31 -0.22 0.08 -2.34 0.00 0.00 174.74 171.96 3jsg s VAL 41 N 2.33 2.17 -0.36 0.89 1.01 -1.26 -0.73 120.40 124.45 3jsg s VAL 41 Ca 0.03 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.06 3jsg s VAL 41 Cb -0.12 -1.86 0.11 0.00 0.00 0.00 0.00 36.38 34.51 3jsg s VAL 41 CO -0.07 0.55 0.11 -0.69 0.00 0.00 0.00 175.10 175.01 3jsg s VAL 42 N 0.56 1.61 0.88 2.92 1.01 0.80 -4.98 120.40 123.20 3jsg s VAL 42 Ca -0.13 -2.08 -0.09 0.00 0.00 0.00 0.00 61.98 59.68 3jsg s VAL 42 Cb -0.17 -2.18 0.18 0.00 0.00 0.00 0.00 36.38 34.21 3jsg s VAL 42 CO 0.04 -0.69 1.20 -2.16 0.00 0.00 0.00 175.10 173.49 3jsg s PRO 43 N 1.00 0.94 -1.61 2.72 0.04 -1.26 -1.15 135.00 135.68 3jsg s PRO 43 Ca 0.12 -0.81 0.00 0.00 0.04 0.00 0.00 61.00 60.35 3jsg s PRO 43 Cb -0.20 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.29 3jsg s PRO 43 CO -0.13 -2.09 0.00 -0.25 0.04 0.00 0.00 177.00 174.57 3jsg n ASP 44 N -3.41 -5.06 -4.81 6.66 8.00 -0.29 -4.82 116.55 112.81 3jsg n ASP 44 Ca 0.16 0.16 -0.34 0.00 0.71 0.00 0.00 54.79 55.48 3jsg n ASP 44 Cb 0.60 -4.12 -0.07 0.00 -0.02 0.00 0.00 41.12 37.51 3jsg n ASP 44 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3jsg s GLN 45 N -4.30 4.30 -0.71 -1.24 -1.52 -0.31 -4.94 119.66 110.93 3jsg s GLN 45 Ca 0.00 1.08 -0.24 0.00 -1.95 0.00 0.00 55.36 54.25 3jsg s GLN 45 Cb 0.00 -2.47 0.06 0.00 -0.22 0.00 0.00 33.01 30.38 3jsg s GLN 45 CO 0.00 0.13 1.11 -1.17 -0.25 0.00 0.00 175.29 175.11 3jsg s LEU 46 N -2.70 3.90 0.09 2.90 2.96 -1.26 -4.12 118.68 120.45 3jsg s LEU 46 Ca 0.55 -0.83 -0.13 0.00 -0.22 0.00 0.00 54.13 53.50 3jsg s LEU 46 Cb -0.13 -2.48 0.02 0.00 0.50 0.00 0.00 46.19 44.10 3jsg s LEU 46 CO 0.18 -1.59 0.30 0.00 -1.32 0.00 0.00 176.35 173.92 3jsg s MET 47 N 4.70 0.92 0.05 1.98 0.23 -1.26 -5.08 119.30 120.84 3jsg s MET 47 Ca 0.28 -0.75 0.02 0.00 -1.03 0.00 0.00 55.69 54.21 3jsg s MET 47 Cb -0.12 0.39 -0.03 0.00 -1.53 0.00 0.00 34.83 33.54 3jsg s MET 47 CO 0.11 -0.32 -0.07 0.00 -2.03 0.00 0.00 175.02 172.70 3jsg s ALA 48 N -3.50 0.61 -0.09 3.16 0.00 -1.26 -4.67 121.76 116.00 3jsg s ALA 48 Ca 0.02 -0.84 -0.00 0.00 0.00 0.00 0.00 51.96 51.13 3jsg s ALA 48 Cb 0.02 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.23 3jsg s ALA 48 CO -0.09 -0.06 -0.06 0.12 0.00 0.00 0.00 175.76 175.67 3jsg s PHE 49 N -1.70 1.23 -1.64 0.00 2.19 -0.57 -4.69 117.98 112.79 3jsg s PHE 49 Ca -0.07 -0.54 0.00 0.00 0.33 0.00 0.00 56.93 56.65 3jsg s PHE 49 Cb -0.08 -1.07 0.00 0.00 -1.31 0.00 0.00 43.02 40.56 3jsg s PHE 49 CO -0.00 -0.42 0.00 0.41 1.83 0.00 0.00 175.22 177.03 3jsg n GLY 50 N 4.83 1.42 2.53 13.12 0.00 -1.26 -1.82 105.19 124.01 3jsg n GLY 50 Ca -0.13 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3jsg n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jsg n GLY 51 N -1.04 1.70 3.87 -0.02 0.00 -1.26 -5.02 105.19 103.42 3jsg n GLY 51 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 3jsg n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3jsg s SER 52 N -3.33 6.55 -0.09 1.61 0.15 -0.75 -4.99 113.70 112.84 3jsg s SER 52 Ca 0.00 0.65 0.16 0.00 0.70 0.00 0.00 55.95 57.46 3jsg s SER 52 Cb 0.00 -2.13 0.61 0.00 -1.71 0.00 0.00 66.02 62.79 3jsg s SER 52 CO 0.00 0.32 1.50 -1.54 1.20 0.00 0.00 173.24 174.72 3jsg n SER 53 N 1.56 4.10 -4.62 5.45 3.41 -1.26 -1.52 113.62 120.74 3jsg n SER 53 Ca -0.14 -2.36 -0.30 0.00 -0.26 0.00 0.00 58.87 55.80 3jsg n SER 53 Cb 0.53 -0.53 0.19 0.00 -0.26 0.00 0.00 64.21 64.14 3jsg n SER 53 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3jsg s GLU 54 N -1.78 0.48 0.21 4.33 2.02 -1.26 -4.86 118.70 117.83 3jsg s GLU 54 Ca 0.44 1.33 -0.32 0.00 0.02 0.00 0.00 54.97 56.44 3jsg s GLU 54 Cb 0.28 -1.68 -0.14 0.00 0.10 0.00 0.00 34.13 32.69 3jsg s GLU 54 CO 0.21 -2.93 1.33 -2.30 0.02 0.00 0.00 175.26 171.59 3jsg n PRO 55 N -4.42 1.72 -3.96 0.39 -0.02 -1.26 -4.81 135.00 122.63 3jsg n PRO 55 Ca 0.09 0.61 -0.09 0.00 -2.02 0.00 0.00 63.50 62.09 3jsg n PRO 55 Cb 0.53 -2.22 -0.04 0.00 -0.02 0.00 0.00 33.50 31.76 3jsg n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3jsg s ALA 57 N -3.68 -0.71 -0.16 0.00 0.00 -0.71 -3.46 121.76 113.03 3jsg s ALA 57 Ca 0.20 0.66 0.01 0.00 0.00 0.00 0.00 51.96 52.84 3jsg s ALA 57 Cb -0.02 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.79 3jsg s ALA 57 CO 0.10 -0.17 -0.20 -0.51 0.00 0.00 0.00 175.76 174.98 3jsg s LEU 58 N -0.26 2.16 0.23 0.00 1.43 0.01 -1.91 118.68 120.33 3jsg s LEU 58 Ca -0.04 -0.62 0.08 0.00 -1.03 0.00 0.00 54.13 52.52 3jsg s LEU 58 Cb -0.03 -1.48 -0.05 0.00 0.03 0.00 0.00 46.19 44.66 3jsg s LEU 58 CO 0.01 0.04 -0.13 0.00 0.23 0.00 0.00 176.35 176.50 3jsg s SER 60 N -3.36 0.76 -0.13 0.00 0.01 -0.37 -0.65 113.70 109.97 3jsg s SER 60 Ca 0.25 -0.11 0.02 0.00 1.31 0.00 0.00 55.95 57.41 3jsg s SER 60 Cb -0.00 -0.16 0.01 0.00 0.21 0.00 0.00 66.02 66.09 3jsg s SER 60 CO 0.09 0.05 -0.17 -0.22 0.41 0.00 0.00 173.24 173.39 3jsg s LEU 61 N 0.09 1.84 -0.11 2.44 2.96 0.01 -1.26 118.68 124.66 3jsg s LEU 61 Ca -0.01 -0.49 -0.01 0.00 -0.22 0.00 0.00 54.13 53.40 3jsg s LEU 61 Cb -0.05 -1.22 -0.03 0.00 0.50 0.00 0.00 46.19 45.40 3jsg s LEU 61 CO -0.00 0.02 -0.08 -1.00 -1.32 0.00 0.00 176.35 173.97 3jsg s HIS 62 N 1.03 2.92 -0.05 5.38 3.76 -0.26 -0.87 115.29 127.18 3jsg s HIS 62 Ca -0.04 -0.24 -0.13 0.00 -0.15 0.00 0.00 55.06 54.50 3jsg s HIS 62 Cb -0.15 -1.81 0.02 0.00 1.11 0.00 0.00 32.58 31.76 3jsg s HIS 62 CO -0.04 0.08 0.30 0.45 -0.85 0.00 0.00 174.74 174.69 3jsg s SER 63 N -0.18 -0.23 -0.71 1.40 0.15 -0.77 -1.70 113.70 111.67 3jsg s SER 63 Ca 0.02 0.28 -0.24 0.00 0.70 0.00 0.00 55.95 56.70 3jsg s SER 63 Cb -0.13 0.43 0.06 0.00 -1.71 0.00 0.00 66.02 64.67 3jsg s SER 63 CO 0.03 -0.31 1.11 -0.63 1.20 0.00 0.00 173.24 174.63 3jsg s ILE 64 N -0.76 4.09 0.04 6.45 1.01 -1.26 -0.87 121.20 129.90 3jsg s ILE 64 Ca -0.08 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.44 3jsg s ILE 64 Cb -0.04 -4.79 0.00 0.00 0.01 0.00 0.00 42.46 37.64 3jsg s ILE 64 CO 0.03 -1.63 0.00 0.61 0.00 0.00 0.00 174.94 173.94 3jsg n GLY 65 N 5.41 -2.14 2.39 6.18 0.00 -1.26 -4.94 105.19 110.83 3jsg n GLY 65 Ca 0.01 -1.45 -0.17 0.00 0.00 0.00 0.00 46.02 44.41 3jsg n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jsg n LYS 66 N -1.17 -1.27 -4.99 1.61 4.76 -1.26 -4.92 118.16 110.92 3jsg n LYS 66 Ca 0.00 0.93 -0.30 0.00 -2.87 0.00 0.00 58.31 56.07 3jsg n LYS 66 Cb 0.07 -5.27 -0.17 0.00 -1.84 0.00 0.00 35.03 27.83 3jsg n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3jsg s ILE 67 N -2.75 1.78 0.00 -0.18 -1.09 -1.26 -4.83 121.20 112.87 3jsg s ILE 67 Ca 0.00 -0.85 0.00 0.00 -2.23 0.00 0.00 60.65 57.57 3jsg s ILE 67 Cb 0.00 -1.56 0.00 0.00 -1.58 0.00 0.00 42.46 39.32 3jsg s ILE 67 CO 0.00 0.50 0.00 0.61 -1.23 0.00 0.00 174.94 174.82 3jsg n GLY 68 N 3.65 -0.53 0.00 6.18 0.00 -1.26 -4.98 105.19 108.25 3jsg n GLY 68 Ca -0.20 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.72 3jsg n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jsg n GLY 69 N -0.43 -3.02 0.32 -0.02 0.00 -1.26 0.27 105.19 101.05 3jsg n GLY 69 Ca 0.00 0.44 -0.08 0.00 0.00 0.00 0.00 46.02 46.38 3jsg n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jsg h ALA 70 N -1.41 0.92 -0.59 4.61 0.00 -2.00 -2.49 119.26 118.30 3jsg h ALA 70 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3jsg h ALA 70 Cb 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3jsg h ALA 70 CO 0.00 0.66 0.31 1.96 0.00 0.00 0.00 179.25 182.19 3jsg h GLN 71 N 1.02 0.83 -0.31 0.00 4.20 -1.88 -1.86 115.11 117.11 3jsg h GLN 71 Ca 0.20 -0.10 -0.09 0.00 0.06 0.00 0.00 58.65 58.72 3jsg h GLN 71 Cb 0.45 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 3jsg h GLN 71 CO 0.01 0.64 -0.19 -0.91 -0.67 0.00 0.00 178.83 177.72 3jsg h ASN 72 N 0.80 0.56 -0.37 1.46 -0.26 -0.02 -0.59 115.58 117.16 3jsg h ASN 72 Ca 0.21 -0.17 -0.08 0.00 -0.56 0.00 0.00 56.30 55.69 3jsg h ASN 72 Cb 0.06 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.15 3jsg h ASN 72 CO -0.03 0.76 -0.04 0.03 -1.06 0.00 0.00 177.43 177.09 3jsg h ARG 73 N 0.51 0.77 -0.37 0.81 3.08 -1.16 -0.90 114.38 117.13 3jsg h ARG 73 Ca 0.08 -0.22 -0.08 0.00 0.07 0.00 0.00 59.98 59.83 3jsg h ARG 73 Cb 0.61 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 3jsg h ARG 73 CO 0.04 0.81 -0.09 1.03 -1.07 0.00 0.00 179.97 180.69 3jsg h SER 74 N 0.72 0.71 -1.00 7.04 0.87 -0.85 -1.99 113.55 119.06 3jsg h SER 74 Ca 0.13 -0.36 0.04 0.00 -1.23 0.00 0.00 61.79 60.37 3jsg h SER 74 Cb 0.49 -0.19 -0.06 0.00 -0.44 0.00 0.00 62.40 62.20 3jsg h SER 74 CO 0.03 0.91 0.65 1.88 -0.53 0.00 0.00 176.83 179.77 3jsg h TYR 75 N 0.51 1.22 -0.56 2.24 0.05 -0.91 -1.61 116.97 117.90 3jsg h TYR 75 Ca 0.09 0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.80 3jsg h TYR 75 Cb 0.60 -0.41 -0.02 0.00 1.01 0.00 0.00 36.73 37.91 3jsg h TYR 75 CO 0.05 0.70 -0.06 0.77 -1.05 0.00 0.00 178.16 178.57 3jsg h SER 76 N 1.26 1.02 -0.49 3.88 0.02 -0.91 0.12 113.55 118.45 3jsg h SER 76 Ca 0.40 -0.31 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 3jsg h SER 76 Cb 0.01 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 3jsg h SER 76 CO -0.12 1.10 0.10 0.50 -1.14 0.00 0.00 176.83 177.27 3jsg h LYS 77 N 0.93 0.80 0.34 3.45 3.64 -1.08 0.50 116.57 125.14 3jsg h LYS 77 Ca 0.15 -0.20 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3jsg h LYS 77 Cb 0.62 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3jsg h LYS 77 CO 0.04 0.79 -0.16 1.25 -2.27 0.00 0.00 179.45 179.09 3jsg h LEU 78 N 0.68 -0.38 -0.18 5.20 5.85 -1.02 -1.86 115.31 123.60 3jsg h LEU 78 Ca 0.15 -0.05 -0.21 0.00 0.84 0.00 0.00 57.88 58.61 3jsg h LEU 78 Cb 0.36 0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.50 3jsg h LEU 78 CO 0.01 -0.19 -0.70 -0.07 -0.34 0.00 0.00 178.44 177.14 3jsg h LEU 79 N -0.55 0.92 -1.07 2.25 3.38 -0.72 -1.67 115.31 117.85 3jsg h LEU 79 Ca -0.05 -0.61 -0.02 0.00 0.09 0.00 0.00 57.88 57.29 3jsg h LEU 79 Cb 0.41 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3jsg h LEU 79 CO 0.08 1.38 0.36 0.00 0.09 0.00 0.00 178.44 180.34 3jsg h GLY 81 N 1.07 0.76 1.08 0.00 0.00 -0.98 -0.31 103.07 104.68 3jsg h GLY 81 Ca 0.25 -0.30 -0.11 0.00 0.00 0.00 0.00 47.33 47.18 3jsg h GLY 81 CO -0.04 0.29 -0.08 1.41 0.00 0.00 0.00 176.54 178.13 3jsg h LEU 82 N 0.72 1.02 -1.01 3.11 3.38 -0.93 -0.76 115.31 120.83 3jsg h LEU 82 Ca 0.19 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 3jsg h LEU 82 Cb -0.06 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 3jsg h LEU 82 CO -0.04 1.12 -0.32 -0.07 0.09 0.00 0.00 178.44 179.22 3jsg h LEU 83 N 0.90 0.32 -0.10 1.67 3.38 -0.93 0.69 115.31 121.24 3jsg h LEU 83 Ca 0.15 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 3jsg h LEU 83 Cb 0.64 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3jsg h LEU 83 CO 0.04 0.63 -0.29 0.00 0.09 0.00 0.00 178.44 178.91 3jsg h ALA 84 N 1.40 0.17 -0.31 1.53 0.00 -0.87 -1.39 119.26 119.80 3jsg h ALA 84 Ca 0.04 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.39 3jsg h ALA 84 Cb 0.70 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3jsg h ALA 84 CO 0.05 0.20 -0.34 1.49 0.00 0.00 0.00 179.25 180.65 3jsg h GLU 85 N -0.06 0.77 0.07 0.00 4.81 -1.01 -2.41 114.58 116.75 3jsg h GLU 85 Ca -0.01 -0.42 -0.36 0.00 -0.13 0.00 0.00 59.36 58.44 3jsg h GLU 85 Cb 0.91 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.27 3jsg h GLU 85 CO 0.06 1.05 -2.09 0.54 -0.73 0.00 0.00 179.01 177.85 3jsg n ARG 86 N -4.19 0.71 0.00 1.92 5.12 0.23 -4.46 116.66 115.99 3jsg n ARG 86 Ca -0.04 0.22 0.05 0.00 -1.93 0.00 0.00 57.85 56.15 3jsg n ARG 86 Cb 0.51 -1.67 0.03 0.00 -1.16 0.00 0.00 32.46 30.17 3jsg n ARG 86 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3jsg n LEU 87 N -3.30 1.67 -3.45 0.55 4.77 -0.59 -4.62 117.00 112.04 3jsg n LEU 87 Ca -0.33 -0.95 -0.24 0.00 -0.03 0.00 0.00 56.01 54.47 3jsg n LEU 87 Cb 1.04 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.20 3jsg n LEU 87 CO 0.39 0.33 0.17 0.54 -1.33 0.00 0.00 177.39 177.49 3jsg n ARG 88 N 0.37 -7.01 -3.69 3.23 1.74 -0.79 -4.96 116.66 105.55 3jsg n ARG 88 Ca 0.05 0.84 -0.35 0.00 -0.77 0.00 0.00 57.85 57.62 3jsg n ARG 88 Cb 0.23 -5.84 -0.08 0.00 -1.02 0.00 0.00 32.46 25.76 3jsg n ARG 88 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3jsg s ILE 89 N -3.28 5.39 0.25 0.55 1.01 -0.95 -4.94 121.20 119.22 3jsg s ILE 89 Ca 0.51 0.26 -0.30 0.00 0.00 0.00 0.00 60.65 61.12 3jsg s ILE 89 Cb -0.23 -3.50 -0.10 0.00 0.01 0.00 0.00 42.46 38.64 3jsg s ILE 89 CO 0.63 0.43 1.48 -0.55 0.00 0.00 0.00 174.94 176.93 3jsg s SER 90 N 0.40 6.60 0.53 3.58 0.15 -1.26 -3.48 113.70 120.22 3jsg s SER 90 Ca 0.10 2.71 0.22 0.00 0.70 0.00 0.00 55.95 59.68 3jsg s SER 90 Cb -0.11 -2.62 1.36 0.00 -1.71 0.00 0.00 66.02 62.93 3jsg s SER 90 CO -0.01 -0.75 2.04 -0.65 1.20 0.00 0.00 173.24 175.07 3jsg h PRO 91 N 5.18 0.00 -0.08 5.44 0.11 -1.97 0.08 132.00 140.76 3jsg h PRO 91 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3jsg h PRO 91 Cb 1.22 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3jsg h PRO 91 CO 0.79 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.18 3jsg n ASP 92 N -4.43 0.47 -0.59 -2.05 5.68 -1.26 -2.53 116.55 111.84 3jsg n ASP 92 Ca 0.06 -1.91 0.06 0.00 -0.50 0.00 0.00 54.79 52.50 3jsg n ASP 92 Cb 0.45 -0.05 0.20 0.00 -1.14 0.00 0.00 41.12 40.57 3jsg n ASP 92 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3jsg n ARG 93 N -0.28 1.51 -4.97 0.11 1.74 0.01 -5.00 116.66 109.78 3jsg n ARG 93 Ca 0.05 -3.21 -0.28 0.00 -0.77 0.00 0.00 57.85 53.64 3jsg n ARG 93 Cb 0.09 -1.55 -0.16 0.00 -1.02 0.00 0.00 32.46 29.81 3jsg n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3jsg s VAL 94 N -3.09 1.66 -0.04 1.55 1.01 -1.05 -1.74 120.40 118.69 3jsg s VAL 94 Ca 0.37 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.58 3jsg s VAL 94 Cb 0.36 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 3jsg s VAL 94 CO -0.07 0.47 -0.18 -0.31 0.00 0.00 0.00 175.10 175.02 3jsg s TYR 95 N 0.19 2.59 -0.16 5.22 2.02 -0.80 -5.00 117.35 121.41 3jsg s TYR 95 Ca -0.10 -0.25 0.00 0.00 -0.37 0.00 0.00 57.07 56.36 3jsg s TYR 95 Cb -0.14 -1.59 0.03 0.00 -0.40 0.00 0.00 41.96 39.86 3jsg s TYR 95 CO 0.04 0.11 -0.09 0.42 -1.57 0.00 0.00 175.55 174.47 3jsg s ILE 96 N -0.68 1.36 -0.13 2.71 1.01 -1.26 -0.40 121.20 123.81 3jsg s ILE 96 Ca 0.11 -0.68 -0.23 0.00 0.00 0.00 0.00 60.65 59.84 3jsg s ILE 96 Cb -0.10 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.92 3jsg s ILE 96 CO 0.00 0.26 0.71 0.20 0.00 0.00 0.00 174.94 176.11 3jsg s ASN 97 N 1.54 6.89 -0.16 3.58 0.01 0.18 -4.95 114.94 122.02 3jsg s ASN 97 Ca 0.02 1.08 -0.08 0.00 -0.71 0.00 0.00 52.86 53.17 3jsg s ASN 97 Cb -0.14 -2.40 -0.04 0.00 0.41 0.00 0.00 41.25 39.07 3jsg s ASN 97 CO -0.09 -0.23 0.09 -0.31 -1.51 0.00 0.00 177.10 175.05 3jsg s TYR 98 N 1.46 3.36 -0.15 2.20 2.02 -1.26 -0.81 117.35 124.18 3jsg s TYR 98 Ca 0.35 0.25 0.00 0.00 -0.37 0.00 0.00 57.07 57.31 3jsg s TYR 98 Cb -0.17 -2.04 0.02 0.00 -0.40 0.00 0.00 41.96 39.37 3jsg s TYR 98 CO 0.14 0.35 -0.13 0.71 -1.57 0.00 0.00 175.55 175.05 3jsg s TYR 99 N -0.05 2.15 -0.63 2.71 2.02 -0.05 -4.97 117.35 118.52 3jsg s TYR 99 Ca 0.08 -1.23 -0.23 0.00 -0.37 0.00 0.00 57.07 55.33 3jsg s TYR 99 Cb -0.12 -1.58 0.06 0.00 -0.40 0.00 0.00 41.96 39.93 3jsg s TYR 99 CO 0.01 -0.67 0.94 0.34 -1.57 0.00 0.00 175.55 174.60 3jsg s ASP 100 N 1.49 6.21 0.08 2.29 2.15 -1.26 -1.84 116.67 125.79 3jsg s ASP 100 Ca 0.04 -0.85 -0.22 0.00 0.43 0.00 0.00 52.55 51.96 3jsg s ASP 100 Cb -0.13 -2.42 -0.07 0.00 -0.30 0.00 0.00 42.92 40.01 3jsg s ASP 100 CO -0.10 -1.37 0.66 -0.04 -0.17 0.00 0.00 175.17 174.15 3jsg s MET 101 N 3.96 4.37 0.32 4.34 -1.94 -0.05 -4.91 119.30 125.39 3jsg s MET 101 Ca 0.23 0.90 -0.27 0.00 -1.71 0.00 0.00 55.69 54.85 3jsg s MET 101 Cb -0.16 -3.28 -0.09 0.00 2.01 0.00 0.00 34.83 33.31 3jsg s MET 101 CO 0.12 0.53 1.00 1.21 -0.01 0.00 0.00 175.02 177.87 3jsg s ASN 102 N -0.84 7.25 0.54 3.03 2.47 -1.26 -4.14 114.94 121.99 3jsg s ASN 102 Ca 0.32 1.98 0.20 0.00 0.42 0.00 0.00 52.86 55.78 3jsg s ASN 102 Cb -0.20 -2.60 1.41 0.00 -1.45 0.00 0.00 41.25 38.41 3jsg s ASN 102 CO 0.21 -0.14 2.17 0.00 -3.72 0.00 0.00 177.10 175.63 3jsg h ALA 103 N 3.32 1.87 0.00 1.71 0.00 -1.94 0.96 119.26 125.18 3jsg h ALA 103 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3jsg h ALA 103 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3jsg h ALA 103 CO 0.65 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.91 3jsg h ALA 104 N 2.00 1.00 -0.44 0.00 0.00 -1.92 -2.61 119.26 117.28 3jsg h ALA 104 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3jsg h ALA 104 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3jsg h ALA 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 3jsg n ASN 105 N -2.42 4.06 -4.04 0.00 5.03 0.33 -4.84 115.26 113.37 3jsg n ASN 105 Ca 0.03 -2.54 -0.31 0.00 0.87 0.00 0.00 54.58 52.62 3jsg n ASN 105 Cb 0.30 -0.48 -0.16 0.00 -1.02 0.00 0.00 39.78 38.42 3jsg n ASN 105 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3jsg s VAL 106 N -1.99 1.86 0.23 2.41 1.01 -1.16 -4.90 120.40 117.86 3jsg s VAL 106 Ca 0.41 -1.13 -0.13 0.00 0.00 0.00 0.00 61.98 61.14 3jsg s VAL 106 Cb 0.28 -1.87 -0.08 0.00 0.00 0.00 0.00 36.38 34.71 3jsg s VAL 106 CO 0.17 0.22 0.61 -0.83 0.00 0.00 0.00 175.10 175.26 3jsg s GLY 107 N 1.31 2.36 -0.28 4.51 0.00 -1.26 -2.37 107.32 111.59 3jsg s GLY 107 Ca -0.01 -0.13 -0.25 0.00 0.00 0.00 0.00 44.72 44.32 3jsg s GLY 107 CO -0.09 0.07 0.99 0.86 0.00 0.00 0.00 173.10 174.93 3jsg s TRP 108 N -1.75 -0.52 -1.37 1.90 -0.00 -0.00 -4.95 118.94 112.25 3jsg s TRP 108 Ca 0.46 1.27 -0.00 0.00 -0.00 0.00 0.00 56.10 57.82 3jsg s TRP 108 Cb -0.12 0.35 0.00 0.00 -0.00 0.00 0.00 33.47 33.70 3jsg s TRP 108 CO 0.20 -0.25 0.56 -1.71 -0.00 0.00 0.00 176.95 175.74 3jsg n ASN 109 N 2.30 -0.78 0.00 5.86 4.05 -1.26 -1.43 115.26 124.00 3jsg n ASN 109 Ca -0.13 -0.92 0.00 0.00 0.45 0.00 0.00 54.58 53.98 3jsg n ASN 109 Cb 0.56 -3.52 0.00 0.00 1.23 0.00 0.00 39.78 38.05 3jsg n ASN 109 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3jsg n ASN 110 N -3.01 -1.06 0.00 1.20 3.02 -1.26 -4.90 115.26 109.25 3jsg n ASN 110 Ca -0.30 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.25 3jsg n ASN 110 Cb 0.68 -0.76 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 3jsg n ASN 110 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3jsg n SER 111 N -0.07 0.00 -2.16 6.41 2.88 -0.51 -5.19 113.62 114.98 3jsg n SER 111 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 3jsg n SER 111 Cb 0.03 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.47 3jsg n SER 111 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3jsg n THR 112 N 0.00 0.00 0.44 2.46 -2.24 -1.26 -0.82 114.28 112.86 3jsg n THR 112 Ca 0.00 -0.66 0.07 0.00 -2.27 0.00 0.00 64.05 61.19 3jsg n THR 112 Cb 0.00 0.23 0.21 0.00 -2.10 0.00 0.00 70.33 68.68 3jsg n THR 112 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3jsg n PHE 113 N -0.26 0.68 -3.37 4.78 3.72 -0.99 -4.64 117.46 117.38 3jsg n PHE 113 Ca -0.02 -0.33 -0.45 0.00 -0.05 0.00 0.00 57.45 56.60 3jsg n PHE 113 Cb 0.17 -0.02 -0.05 0.00 -0.94 0.00 0.00 39.48 38.64 3jsg n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3jsg s ALA 114 N -1.41 3.76 -0.99 4.37 0.00 -1.17 -4.74 121.76 121.58 3jsg s ALA 114 Ca 0.32 -2.83 0.10 0.00 0.00 0.00 0.00 51.96 49.55 3jsg s ALA 114 Cb 0.17 -3.26 0.23 0.00 0.00 0.00 0.00 23.12 20.26 3jsg s ALA 114 CO 0.21 -2.09 1.12 1.28 0.00 0.00 0.00 175.76 176.28 3jsg n LEU 115 N 4.69 2.59 -0.02 0.00 4.77 -1.26 -4.71 117.00 123.06 3jsg n LEU 115 Ca -0.03 -1.72 -0.10 0.00 -0.03 0.00 0.00 56.01 54.13 3jsg n LEU 115 Cb 0.42 -0.16 -0.14 0.00 -2.33 0.00 0.00 43.42 41.22 3jsg n LEU 115 CO 0.45 0.62 -0.57 -0.62 -1.33 0.00 0.00 177.39 175.93 3jsg n GLU 116 N 0.49 0.65 0.00 3.23 4.71 -1.26 -5.22 120.64 123.24 3jsg n GLU 116 Ca 0.10 0.29 0.00 0.00 -0.01 0.00 0.00 57.16 57.53 3jsg n GLU 116 Cb 0.37 -1.78 0.00 0.00 -1.01 0.00 0.00 31.44 29.03 3jsg n GLU 116 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94