#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jtu s MET 2 N 0.00 -0.00 -0.08 -0.52 0.23 -0.54 -1.77 119.30 116.62 3jtu s MET 2 Ca 0.00 0.13 0.05 0.00 -1.03 0.00 0.00 55.69 54.84 3jtu s MET 2 Cb 0.00 -0.13 -0.00 0.00 -1.53 0.00 0.00 34.83 33.17 3jtu s MET 2 CO 0.00 -0.10 -0.24 0.12 -2.03 0.00 0.00 175.02 172.77 3jtu s PHE 3 N 0.61 2.48 -0.08 3.16 5.36 -0.12 -1.58 117.98 127.81 3jtu s PHE 3 Ca -0.05 -0.91 0.04 0.00 -0.96 0.00 0.00 56.93 55.05 3jtu s PHE 3 Cb -0.07 -1.65 0.00 0.00 -0.34 0.00 0.00 43.02 40.96 3jtu s PHE 3 CO -0.02 -0.34 -0.21 0.42 -1.46 0.00 0.00 175.22 173.61 3jtu s ILE 4 N 0.15 1.82 -0.13 3.12 -1.09 -0.35 -1.39 121.20 123.33 3jtu s ILE 4 Ca -0.13 -0.89 0.01 0.00 -2.23 0.00 0.00 60.65 57.41 3jtu s ILE 4 Cb -0.16 -1.58 0.02 0.00 -1.58 0.00 0.00 42.46 39.16 3jtu s ILE 4 CO 0.07 0.51 -0.15 0.54 -1.23 0.00 0.00 174.94 174.68 3jtu s VAL 5 N 0.33 1.56 -0.17 2.92 0.11 -0.17 -1.22 120.40 123.75 3jtu s VAL 5 Ca -0.15 -0.64 -0.05 0.00 -2.93 0.00 0.00 61.98 58.21 3jtu s VAL 5 Cb -0.17 -1.45 -0.03 0.00 -1.53 0.00 0.00 36.38 33.21 3jtu s VAL 5 CO 0.07 0.45 -0.01 0.20 -3.33 0.00 0.00 175.10 172.49 3jtu s ASN 6 N 1.30 5.00 0.04 3.54 0.01 -0.20 -0.30 114.94 124.33 3jtu s ASN 6 Ca 0.01 -0.09 -0.10 0.00 -0.71 0.00 0.00 52.86 51.96 3jtu s ASN 6 Cb -0.14 -1.83 0.01 0.00 0.41 0.00 0.00 41.25 39.70 3jtu s ASN 6 CO -0.07 0.15 0.22 0.28 -1.51 0.00 0.00 177.10 176.16 3jtu s THR 7 N 0.50 0.10 -2.44 1.60 -1.32 -0.16 -1.05 115.64 112.86 3jtu s THR 7 Ca -0.01 -0.85 0.28 0.00 -1.21 0.00 0.00 61.69 59.90 3jtu s THR 7 Cb -0.14 -0.92 0.55 0.00 -1.51 0.00 0.00 72.50 70.48 3jtu s THR 7 CO 0.02 -0.47 1.75 -0.46 -2.21 0.00 0.00 174.62 173.25 3jtu n ASN 8 N 0.66 1.43 -4.77 8.08 6.94 -1.23 -1.13 115.26 125.23 3jtu n ASN 8 Ca -0.19 -1.45 -0.41 0.00 -0.02 0.00 0.00 54.58 52.51 3jtu n ASN 8 Cb 0.59 0.01 -0.01 0.00 -2.36 0.00 0.00 39.78 38.00 3jtu n ASN 8 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3jtu s VAL 9 N -2.03 2.44 0.58 3.53 1.01 -1.26 -4.26 120.40 120.40 3jtu s VAL 9 Ca 0.38 0.43 -0.19 0.00 0.00 0.00 0.00 61.98 62.60 3jtu s VAL 9 Cb 0.21 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 3jtu s VAL 9 CO 0.35 0.10 1.16 -2.84 0.00 0.00 0.00 175.10 173.87 3jtu s PRO 10 N -1.65 3.13 0.28 2.72 0.02 -1.26 -0.92 135.00 137.32 3jtu s PRO 10 Ca 0.52 1.70 0.00 0.00 0.02 0.00 0.00 61.00 63.25 3jtu s PRO 10 Cb -0.43 -1.97 0.53 0.00 0.02 0.00 0.00 34.50 32.65 3jtu s PRO 10 CO 0.55 -1.05 1.84 -0.09 -0.33 0.00 0.00 177.00 177.92 3jtu h ARG 11 N 0.97 0.97 0.00 5.54 2.43 -1.93 -0.63 114.38 121.73 3jtu h ARG 11 Ca -0.50 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 58.61 3jtu h ARG 11 Cb 1.28 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.61 3jtu h ARG 11 CO 0.56 0.65 -0.01 0.00 -1.51 0.00 0.00 179.97 179.65 3jtu h ALA 12 N 1.52 1.14 -0.01 2.80 0.00 -2.03 -1.40 119.26 121.29 3jtu h ALA 12 Ca 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3jtu h ALA 12 Cb 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3jtu h ALA 12 CO -0.25 0.01 -0.20 0.43 0.00 0.00 0.00 179.25 179.23 3jtu n SER 13 N -3.29 0.71 -4.62 0.00 7.64 -0.25 -4.74 113.62 109.07 3jtu n SER 13 Ca -0.03 -0.66 -0.43 0.00 1.01 0.00 0.00 58.87 58.77 3jtu n SER 13 Cb 0.10 0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.31 3jtu n SER 13 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3jtu s VAL 14 N -2.55 4.53 0.45 0.44 1.01 -0.53 -4.76 120.40 118.99 3jtu s VAL 14 Ca 0.25 1.49 -0.22 0.00 0.00 0.00 0.00 61.98 63.50 3jtu s VAL 14 Cb 0.19 -4.39 -0.08 0.00 0.00 0.00 0.00 36.38 32.11 3jtu s VAL 14 CO 0.51 -0.52 1.07 -2.16 0.00 0.00 0.00 175.10 174.00 3jtu s PRO 15 N 3.61 3.90 0.24 2.72 0.04 -1.26 -4.98 135.00 139.27 3jtu s PRO 15 Ca 0.42 1.51 -0.31 0.00 0.04 0.00 0.00 61.00 62.67 3jtu s PRO 15 Cb -0.12 -2.31 -0.14 0.00 0.04 0.00 0.00 34.50 31.97 3jtu s PRO 15 CO 0.17 -0.37 1.26 -0.25 0.04 0.00 0.00 177.00 177.85 3jtu n ASP 16 N -0.56 2.13 0.00 6.66 10.43 -1.26 -2.24 116.55 131.71 3jtu n ASP 16 Ca 0.07 1.16 0.00 0.00 2.57 0.00 0.00 54.79 58.59 3jtu n ASP 16 Cb 0.50 -1.35 0.00 0.00 1.84 0.00 0.00 41.12 42.11 3jtu n ASP 16 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3jtu n GLY 17 N 1.78 0.38 0.05 0.44 0.00 -1.26 -4.98 105.19 101.61 3jtu n GLY 17 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 3jtu n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3jtu h PHE 18 N 0.00 0.01 -0.65 1.61 3.57 -1.83 0.36 116.94 120.01 3jtu h PHE 18 Ca 0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 3jtu h PHE 18 Cb 0.00 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 3jtu h PHE 18 CO 0.00 0.19 0.28 -0.07 -2.23 0.00 0.00 178.31 176.48 3jtu h LEU 19 N -0.18 0.85 -0.57 0.59 3.38 -1.94 -1.14 115.31 116.31 3jtu h LEU 19 Ca 0.00 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 3jtu h LEU 19 Cb 0.19 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3jtu h LEU 19 CO -0.00 0.74 -0.46 0.28 0.09 0.00 0.00 178.44 179.09 3jtu h SER 20 N 0.92 0.66 -0.42 -0.43 0.02 -1.91 -0.44 113.55 111.96 3jtu h SER 20 Ca 0.22 -0.32 -0.09 0.00 -0.84 0.00 0.00 61.79 60.76 3jtu h SER 20 Cb 0.14 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 3jtu h SER 20 CO -0.02 1.03 -0.08 -0.08 -1.14 0.00 0.00 176.83 176.54 3jtu h GLU 21 N 0.49 0.80 -0.55 3.45 4.81 -0.63 -1.14 114.58 121.82 3jtu h GLU 21 Ca 0.03 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 3jtu h GLU 21 Cb 0.99 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.30 3jtu h GLU 21 CO 0.09 0.91 0.35 -0.07 -0.73 0.00 0.00 179.01 179.56 3jtu h LEU 22 N 0.62 0.64 -0.36 1.64 3.38 -1.07 -0.14 115.31 120.03 3jtu h LEU 22 Ca 0.11 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3jtu h LEU 22 Cb 0.60 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3jtu h LEU 22 CO 0.04 0.49 0.22 0.74 0.09 0.00 0.00 178.44 180.01 3jtu h THR 23 N 0.74 1.05 -0.28 0.22 2.02 -0.92 -0.54 112.91 115.20 3jtu h THR 23 Ca 0.20 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 67.16 3jtu h THR 23 Cb -0.05 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 3jtu h THR 23 CO -0.04 0.08 -0.10 -0.61 0.37 0.00 0.00 175.52 175.22 3jtu h GLN 24 N 0.44 0.57 -0.22 6.66 4.15 -0.97 -0.90 115.11 124.85 3jtu h GLN 24 Ca 0.14 -0.23 -0.12 0.00 0.77 0.00 0.00 58.65 59.20 3jtu h GLN 24 Cb -0.01 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 3jtu h GLN 24 CO -0.06 0.79 -0.37 1.96 -1.93 0.00 0.00 178.83 179.23 3jtu h GLN 25 N 0.32 0.48 -0.16 1.69 1.08 -0.93 -1.94 115.11 115.66 3jtu h GLN 25 Ca 0.07 -0.23 -0.19 0.00 -1.45 0.00 0.00 58.65 56.85 3jtu h GLN 25 Cb 0.60 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.03 3jtu h GLN 25 CO 0.03 0.78 -0.67 -0.07 -0.95 0.00 0.00 178.83 177.96 3jtu h LEU 26 N 0.41 0.72 -0.42 1.46 3.38 -1.02 -0.11 115.31 119.73 3jtu h LEU 26 Ca 0.04 -0.43 0.03 0.00 0.09 0.00 0.00 57.88 57.62 3jtu h LEU 26 Cb 0.83 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 3jtu h LEU 26 CO 0.07 1.19 0.20 0.00 0.09 0.00 0.00 178.44 179.99 3jtu h ALA 27 N 0.81 0.52 -0.44 1.53 0.00 -1.03 -0.15 119.26 120.50 3jtu h ALA 27 Ca -0.02 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3jtu h ALA 27 Cb 1.25 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3jtu h ALA 27 CO 0.13 -0.16 0.09 0.37 0.00 0.00 0.00 179.25 179.68 3jtu h GLN 28 N 0.41 0.72 -0.24 0.00 5.75 -1.17 0.06 115.11 120.65 3jtu h GLN 28 Ca 0.18 -0.18 -0.19 0.00 -0.15 0.00 0.00 58.65 58.31 3jtu h GLN 28 Cb 0.10 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.56 3jtu h GLN 28 CO -0.13 0.73 -0.60 0.00 -2.65 0.00 0.00 178.83 176.18 3jtu h ALA 29 N 0.96 0.49 0.00 3.38 0.00 -0.80 -3.16 119.26 120.13 3jtu h ALA 29 Ca 0.14 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3jtu h ALA 29 Cb 0.35 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3jtu h ALA 29 CO 0.01 0.69 -0.76 1.79 0.00 0.00 0.00 179.25 180.98 3jtu h THR 30 N 0.58 0.00 0.00 0.00 1.35 -1.04 -3.48 112.91 110.32 3jtu h THR 30 Ca -0.00 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 3jtu h THR 30 Cb 1.20 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 3jtu h THR 30 CO 0.13 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.01 3jtu n GLY 31 N 1.27 1.88 3.83 5.82 0.00 -0.00 -5.00 105.19 112.98 3jtu n GLY 31 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 3jtu n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jtu s LYS 32 N -0.17 4.13 0.50 1.61 -0.14 -1.14 -4.98 119.74 119.55 3jtu s LYS 32 Ca 0.00 0.99 -0.23 0.00 -1.36 0.00 0.00 55.97 55.38 3jtu s LYS 32 Cb 0.00 -2.22 -0.06 0.00 -1.68 0.00 0.00 37.83 33.87 3jtu s LYS 32 CO 0.00 -0.04 1.28 -1.25 -0.76 0.00 0.00 175.35 174.58 3jtu s PRO 33 N -3.31 3.45 0.64 -1.68 0.04 -1.26 -4.53 135.00 128.34 3jtu s PRO 33 Ca 0.60 2.05 0.38 0.00 0.04 0.00 0.00 61.00 64.07 3jtu s PRO 33 Cb -0.09 -2.35 2.14 0.00 0.04 0.00 0.00 34.50 34.23 3jtu s PRO 33 CO 0.17 -0.89 2.27 -1.00 0.04 0.00 0.00 177.00 177.60 3jtu h PRO 34 N 1.78 0.00 0.00 0.56 0.13 -1.91 -0.81 132.00 131.75 3jtu h PRO 34 Ca -0.50 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 3jtu h PRO 34 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 3jtu h PRO 34 CO 0.59 0.00 -0.05 0.37 -0.23 0.00 0.00 178.00 178.68 3jtu h GLN 35 N 0.00 0.00 0.00 0.86 5.75 -1.98 -2.35 115.11 117.40 3jtu h GLN 35 Ca 0.01 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.34 3jtu h GLN 35 Cb 0.13 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 3jtu h GLN 35 CO -0.00 0.05 -0.84 1.88 -2.65 0.00 0.00 178.83 177.26 3jtu h TYR 36 N 0.00 0.00 -3.22 3.99 0.99 -1.50 -3.47 116.97 113.76 3jtu h TYR 36 Ca -0.00 0.00 -0.55 0.00 2.00 0.00 0.00 58.73 60.18 3jtu h TYR 36 Cb 0.22 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 37.93 3jtu h TYR 36 CO 0.00 0.78 0.57 0.42 -0.00 0.00 0.00 178.16 179.93 3jtu s ILE 37 N -2.81 4.52 -0.09 -2.88 -1.09 -0.89 -4.25 121.20 113.71 3jtu s ILE 37 Ca 0.02 1.81 0.01 0.00 -2.23 0.00 0.00 60.65 60.26 3jtu s ILE 37 Cb 0.09 -4.16 -0.02 0.00 -1.58 0.00 0.00 42.46 36.78 3jtu s ILE 37 CO 0.79 0.05 -0.11 0.00 -1.23 0.00 0.00 174.94 174.45 3jtu s ALA 38 N 1.73 2.78 0.04 9.38 0.00 -0.73 -5.03 121.76 129.93 3jtu s ALA 38 Ca 0.53 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.62 3jtu s ALA 38 Cb -0.23 -1.18 -0.02 0.00 0.00 0.00 0.00 23.12 21.70 3jtu s ALA 38 CO 0.23 0.44 -0.12 0.14 0.00 0.00 0.00 175.76 176.46 3jtu s VAL 39 N -0.34 0.89 -0.14 0.00 -7.23 -1.26 -0.95 120.40 111.36 3jtu s VAL 39 Ca 0.04 -1.00 -0.05 0.00 -1.81 0.00 0.00 61.98 59.16 3jtu s VAL 39 Cb -0.13 -0.85 0.07 0.00 0.56 0.00 0.00 36.38 36.04 3jtu s VAL 39 CO 0.02 -0.13 0.30 -2.28 -0.31 0.00 0.00 175.10 172.70 3jtu s HIS 40 N -1.00 -0.50 -0.12 2.82 5.04 -0.48 -4.97 115.29 116.08 3jtu s HIS 40 Ca -0.02 1.08 0.03 0.00 -1.54 0.00 0.00 55.06 54.61 3jtu s HIS 40 Cb -0.08 0.05 0.01 0.00 0.04 0.00 0.00 32.58 32.59 3jtu s HIS 40 CO 0.01 -0.37 -0.23 0.08 -2.34 0.00 0.00 174.74 171.89 3jtu s VAL 41 N 2.32 2.06 -0.38 0.89 1.01 -1.26 -1.00 120.40 124.03 3jtu s VAL 41 Ca -0.01 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.00 3jtu s VAL 41 Cb -0.12 -1.80 0.11 0.00 0.00 0.00 0.00 36.38 34.58 3jtu s VAL 41 CO -0.09 0.55 0.13 -0.69 0.00 0.00 0.00 175.10 175.00 3jtu s VAL 42 N 0.58 1.85 0.86 2.92 1.01 0.59 -4.99 120.40 123.24 3jtu s VAL 42 Ca -0.13 -2.34 -0.12 0.00 0.00 0.00 0.00 61.98 59.39 3jtu s VAL 42 Cb -0.17 -2.35 0.14 0.00 0.00 0.00 0.00 36.38 34.01 3jtu s VAL 42 CO 0.03 -0.71 1.21 -2.16 0.00 0.00 0.00 175.10 173.48 3jtu s PRO 43 N 0.75 1.32 -1.47 2.72 0.04 -1.26 -0.99 135.00 136.11 3jtu s PRO 43 Ca 0.13 -0.32 0.00 0.00 0.04 0.00 0.00 61.00 60.85 3jtu s PRO 43 Cb -0.21 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.36 3jtu s PRO 43 CO -0.09 -1.94 0.00 -0.25 0.04 0.00 0.00 177.00 174.76 3jtu n ASP 44 N -3.44 -4.77 -4.83 6.66 8.00 -0.10 -4.82 116.55 113.26 3jtu n ASP 44 Ca 0.12 0.15 -0.33 0.00 0.71 0.00 0.00 54.79 55.44 3jtu n ASP 44 Cb 0.60 -3.80 -0.07 0.00 -0.02 0.00 0.00 41.12 37.83 3jtu n ASP 44 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3jtu s GLN 45 N -4.20 4.19 -0.66 -1.24 -1.52 -0.29 -4.94 119.66 111.00 3jtu s GLN 45 Ca 0.00 1.02 -0.23 0.00 -1.95 0.00 0.00 55.36 54.20 3jtu s GLN 45 Cb 0.00 -2.26 0.06 0.00 -0.22 0.00 0.00 33.01 30.60 3jtu s GLN 45 CO 0.00 0.02 0.99 -1.17 -0.25 0.00 0.00 175.29 174.88 3jtu s LEU 46 N -3.10 4.26 0.05 2.90 2.96 -1.26 -4.08 118.68 120.41 3jtu s LEU 46 Ca 0.60 -0.90 -0.02 0.00 -0.22 0.00 0.00 54.13 53.58 3jtu s LEU 46 Cb -0.10 -2.46 -0.03 0.00 0.50 0.00 0.00 46.19 44.11 3jtu s LEU 46 CO 0.14 -1.47 -0.00 -0.04 -1.32 0.00 0.00 176.35 173.67 3jtu s MET 47 N 4.21 0.62 0.04 1.98 -1.94 -1.26 -5.07 119.30 117.87 3jtu s MET 47 Ca 0.24 -1.13 0.01 0.00 -1.71 0.00 0.00 55.69 53.10 3jtu s MET 47 Cb -0.16 0.22 -0.02 0.00 2.01 0.00 0.00 34.83 36.88 3jtu s MET 47 CO 0.11 -0.13 -0.06 0.00 -0.01 0.00 0.00 175.02 174.93 3jtu s ALA 48 N -3.70 0.46 -0.08 3.03 0.00 -1.26 -4.58 121.76 115.63 3jtu s ALA 48 Ca 0.05 -0.76 -0.02 0.00 0.00 0.00 0.00 51.96 51.23 3jtu s ALA 48 Cb 0.06 0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.30 3jtu s ALA 48 CO -0.09 -0.08 0.02 0.12 0.00 0.00 0.00 175.76 175.73 3jtu s PHE 49 N -1.57 0.52 -1.72 0.00 2.19 0.27 -4.74 117.98 112.93 3jtu s PHE 49 Ca -0.10 -0.12 0.00 0.00 0.33 0.00 0.00 56.93 57.04 3jtu s PHE 49 Cb -0.09 -0.73 0.00 0.00 -1.31 0.00 0.00 43.02 40.89 3jtu s PHE 49 CO -0.00 -0.32 0.00 0.41 1.83 0.00 0.00 175.22 177.13 3jtu n GLY 50 N 5.18 0.28 2.30 13.12 0.00 -1.26 -2.06 105.19 122.75 3jtu n GLY 50 Ca -0.06 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3jtu n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jtu n GLY 51 N -0.92 1.00 3.54 -0.02 0.00 -1.26 -5.02 105.19 102.51 3jtu n GLY 51 Ca -0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 3jtu n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3jtu s SER 52 N -3.05 4.19 -0.22 1.61 0.15 -0.88 -5.04 113.70 110.47 3jtu s SER 52 Ca 0.00 -0.41 0.14 0.00 0.70 0.00 0.00 55.95 56.39 3jtu s SER 52 Cb 0.00 -0.75 0.60 0.00 -1.71 0.00 0.00 66.02 64.16 3jtu s SER 52 CO 0.00 0.20 1.53 -1.54 1.20 0.00 0.00 173.24 174.63 3jtu n SER 53 N 0.97 4.11 -4.60 5.45 3.41 -1.26 -0.56 113.62 121.13 3jtu n SER 53 Ca -0.15 -3.13 -0.30 0.00 -0.26 0.00 0.00 58.87 55.03 3jtu n SER 53 Cb 0.52 -0.61 0.20 0.00 -0.26 0.00 0.00 64.21 64.07 3jtu n SER 53 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3jtu n GLU 54 N -0.39 -1.18 -1.60 4.33 -0.58 -1.26 -4.86 120.64 115.10 3jtu n GLU 54 Ca 0.27 -0.29 -0.48 0.00 -0.42 0.00 0.00 57.16 56.24 3jtu n GLU 54 Cb 1.03 -2.30 -0.04 0.00 -0.57 0.00 0.00 31.44 29.56 3jtu n GLU 54 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3jtu n PRO 55 N -4.50 1.37 -3.96 3.49 -0.02 -1.26 -4.85 135.00 125.26 3jtu n PRO 55 Ca 0.09 0.49 -0.10 0.00 -2.02 0.00 0.00 63.50 61.96 3jtu n PRO 55 Cb 0.53 -2.02 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 3jtu n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3jtu s ALA 57 N -3.61 -0.91 -0.16 0.00 0.00 -0.61 -3.57 121.76 112.90 3jtu s ALA 57 Ca 0.21 0.97 0.01 0.00 0.00 0.00 0.00 51.96 53.14 3jtu s ALA 57 Cb -0.02 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.58 3jtu s ALA 57 CO 0.11 -0.19 -0.17 -0.51 0.00 0.00 0.00 175.76 175.00 3jtu s LEU 58 N 0.02 2.34 0.22 0.00 1.43 -0.22 -1.70 118.68 120.77 3jtu s LEU 58 Ca -0.02 -0.54 0.05 0.00 -1.03 0.00 0.00 54.13 52.60 3jtu s LEU 58 Cb -0.03 -1.53 -0.05 0.00 0.03 0.00 0.00 46.19 44.61 3jtu s LEU 58 CO 0.01 0.06 -0.05 0.00 0.23 0.00 0.00 176.35 176.60 3jtu s SER 60 N -3.31 0.14 -0.16 0.00 1.04 -0.36 -0.98 113.70 110.07 3jtu s SER 60 Ca 0.26 -0.34 -0.00 0.00 0.48 0.00 0.00 55.95 56.34 3jtu s SER 60 Cb 0.04 0.13 0.03 0.00 0.10 0.00 0.00 66.02 66.33 3jtu s SER 60 CO 0.08 -0.29 -0.08 -0.22 0.98 0.00 0.00 173.24 173.70 3jtu s LEU 61 N -1.27 1.66 -0.15 2.42 2.96 -0.28 -1.21 118.68 122.82 3jtu s LEU 61 Ca -0.14 -0.59 -0.08 0.00 -0.22 0.00 0.00 54.13 53.10 3jtu s LEU 61 Cb -0.08 -1.01 -0.04 0.00 0.50 0.00 0.00 46.19 45.55 3jtu s LEU 61 CO -0.00 -0.14 0.12 -1.00 -1.32 0.00 0.00 176.35 174.01 3jtu s HIS 62 N 1.57 3.49 -0.10 5.38 3.76 -0.61 -0.94 115.29 127.84 3jtu s HIS 62 Ca 0.02 0.41 -0.14 0.00 -0.15 0.00 0.00 55.06 55.20 3jtu s HIS 62 Cb -0.14 -2.00 0.03 0.00 1.11 0.00 0.00 32.58 31.58 3jtu s HIS 62 CO -0.09 0.54 0.37 0.45 -0.85 0.00 0.00 174.74 175.17 3jtu s SER 63 N -0.50 -0.34 -0.79 1.40 0.15 -0.57 -1.46 113.70 111.59 3jtu s SER 63 Ca 0.12 0.53 -0.24 0.00 0.70 0.00 0.00 55.95 57.06 3jtu s SER 63 Cb -0.12 0.61 0.05 0.00 -1.71 0.00 0.00 66.02 64.86 3jtu s SER 63 CO 0.02 -0.26 1.21 -0.63 1.20 0.00 0.00 173.24 174.78 3jtu s ILE 64 N -0.38 4.02 0.02 6.45 1.01 -1.26 -0.71 121.20 130.35 3jtu s ILE 64 Ca -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.39 3jtu s ILE 64 Cb -0.03 -4.87 0.00 0.00 0.01 0.00 0.00 42.46 37.57 3jtu s ILE 64 CO 0.02 -1.73 0.00 0.61 0.00 0.00 0.00 174.94 173.84 3jtu n GLY 65 N 5.66 -2.00 2.54 6.18 0.00 -1.26 -4.92 105.19 111.39 3jtu n GLY 65 Ca 0.09 -1.39 -0.20 0.00 0.00 0.00 0.00 46.02 44.52 3jtu n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jtu n LYS 66 N -0.69 -1.41 -4.95 1.61 4.76 -1.26 -4.91 118.16 111.30 3jtu n LYS 66 Ca 0.00 1.16 -0.32 0.00 -2.87 0.00 0.00 58.31 56.27 3jtu n LYS 66 Cb 0.03 -5.54 -0.16 0.00 -1.84 0.00 0.00 35.03 27.52 3jtu n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3jtu s ILE 67 N -2.78 2.50 -0.37 -0.18 -1.09 -1.26 -4.83 121.20 113.19 3jtu s ILE 67 Ca 0.00 -0.86 0.00 0.00 -2.23 0.00 0.00 60.65 57.56 3jtu s ILE 67 Cb 0.00 -2.01 0.00 0.00 -1.58 0.00 0.00 42.46 38.87 3jtu s ILE 67 CO 0.00 0.54 0.00 0.61 -1.23 0.00 0.00 174.94 174.86 3jtu n GLY 68 N 3.60 -1.22 0.22 6.18 0.00 -1.26 -4.99 105.19 107.73 3jtu n GLY 68 Ca -0.19 -1.02 -0.08 0.00 0.00 0.00 0.00 46.02 44.73 3jtu n GLY 68 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3jtu h GLY 69 N 0.00 -1.11 1.36 -0.02 0.00 -1.99 0.89 103.07 102.20 3jtu h GLY 69 Ca 0.00 0.53 -0.16 0.00 0.00 0.00 0.00 47.33 47.69 3jtu h GLY 69 CO 0.00 -0.35 -0.52 0.00 0.00 0.00 0.00 176.54 175.67 3jtu h ALA 70 N -1.19 0.64 -0.76 3.60 0.00 -2.00 -2.70 119.26 116.86 3jtu h ALA 70 Ca -0.01 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 3jtu h ALA 70 Cb 0.37 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3jtu h ALA 70 CO -0.09 0.68 0.44 1.96 0.00 0.00 0.00 179.25 182.24 3jtu h GLN 71 N 0.53 1.04 -0.21 0.00 4.20 -1.91 -1.79 115.11 116.96 3jtu h GLN 71 Ca 0.02 -0.10 -0.12 0.00 0.06 0.00 0.00 58.65 58.50 3jtu h GLN 71 Cb 1.08 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 3jtu h GLN 71 CO 0.11 0.75 -0.37 -0.91 -0.67 0.00 0.00 178.83 177.73 3jtu h ASN 72 N 1.04 0.49 -0.53 1.46 2.35 -0.72 -0.04 115.58 119.62 3jtu h ASN 72 Ca 0.27 -0.21 -0.07 0.00 -0.55 0.00 0.00 56.30 55.75 3jtu h ASN 72 Cb -0.01 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 3jtu h ASN 72 CO -0.05 0.83 0.09 0.03 -1.65 0.00 0.00 177.43 176.68 3jtu h ARG 73 N 0.40 0.93 -0.38 0.81 3.08 -1.14 -0.55 114.38 117.52 3jtu h ARG 73 Ca 0.04 -0.22 -0.08 0.00 0.07 0.00 0.00 59.98 59.78 3jtu h ARG 73 Cb 0.84 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 3jtu h ARG 73 CO 0.07 0.86 -0.09 1.03 -1.07 0.00 0.00 179.97 180.77 3jtu h SER 74 N 0.88 0.73 -0.99 7.04 0.87 -0.88 -1.98 113.55 119.21 3jtu h SER 74 Ca 0.18 -0.36 0.02 0.00 -1.23 0.00 0.00 61.79 60.40 3jtu h SER 74 Cb 0.39 -0.20 -0.05 0.00 -0.44 0.00 0.00 62.40 62.10 3jtu h SER 74 CO 0.01 0.92 0.66 1.88 -0.53 0.00 0.00 176.83 179.77 3jtu h TYR 75 N 0.53 1.24 -0.63 2.24 0.05 -0.77 -1.79 116.97 117.84 3jtu h TYR 75 Ca 0.10 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.81 3jtu h TYR 75 Cb 0.60 -0.42 -0.02 0.00 1.01 0.00 0.00 36.73 37.90 3jtu h TYR 75 CO 0.05 0.76 0.03 0.77 -1.05 0.00 0.00 178.16 178.73 3jtu h SER 76 N 1.32 1.05 -0.30 3.88 0.02 -0.88 0.15 113.55 118.79 3jtu h SER 76 Ca 0.37 -0.28 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 3jtu h SER 76 Cb -0.12 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.13 3jtu h SER 76 CO -0.09 1.08 0.08 0.50 -1.14 0.00 0.00 176.83 177.26 3jtu h LYS 77 N 0.99 0.48 0.15 3.45 3.64 -1.11 -0.10 116.57 124.07 3jtu h LYS 77 Ca 0.18 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3jtu h LYS 77 Cb 0.52 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3jtu h LYS 77 CO 0.02 0.54 -0.07 1.25 -2.27 0.00 0.00 179.45 178.92 3jtu h LEU 78 N 0.33 -0.17 -0.06 5.20 5.85 -1.06 -0.83 115.31 124.56 3jtu h LEU 78 Ca 0.10 -0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.59 3jtu h LEU 78 Cb 0.27 0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.36 3jtu h LEU 78 CO -0.00 -0.10 -0.79 -0.07 -0.34 0.00 0.00 178.44 177.14 3jtu h LEU 79 N -0.22 0.80 -1.22 2.25 3.38 -0.66 -2.07 115.31 117.57 3jtu h LEU 79 Ca -0.02 -0.69 -0.02 0.00 0.09 0.00 0.00 57.88 57.24 3jtu h LEU 79 Cb 0.17 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3jtu h LEU 79 CO 0.03 1.38 0.28 0.00 0.09 0.00 0.00 178.44 180.23 3jtu h GLY 81 N 0.92 0.76 1.15 0.00 0.00 -0.90 -0.74 103.07 104.25 3jtu h GLY 81 Ca 0.20 -0.27 -0.17 0.00 0.00 0.00 0.00 47.33 47.10 3jtu h GLY 81 CO -0.03 0.25 -0.44 1.41 0.00 0.00 0.00 176.54 177.73 3jtu h LEU 82 N 0.70 0.99 -0.87 3.11 3.38 -0.95 -1.58 115.31 120.08 3jtu h LEU 82 Ca 0.20 -0.48 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 3jtu h LEU 82 Cb -0.05 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 3jtu h LEU 82 CO -0.06 1.28 -0.16 -0.07 0.09 0.00 0.00 178.44 179.52 3jtu h LEU 83 N 0.73 0.65 -0.15 1.67 3.38 -0.99 0.29 115.31 120.89 3jtu h LEU 83 Ca 0.04 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 3jtu h LEU 83 Cb 1.04 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 3jtu h LEU 83 CO 0.10 0.83 -0.11 0.00 0.09 0.00 0.00 178.44 179.36 3jtu h ALA 84 N 1.23 0.22 -0.20 1.53 0.00 -1.01 -0.72 119.26 120.31 3jtu h ALA 84 Ca 0.10 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 3jtu h ALA 84 Cb 0.61 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3jtu h ALA 84 CO 0.04 0.06 -0.34 1.49 0.00 0.00 0.00 179.25 180.50 3jtu h GLU 85 N -0.01 0.58 0.08 0.00 4.57 -1.18 -1.62 114.58 117.00 3jtu h GLU 85 Ca 0.03 -0.36 -0.34 0.00 -1.18 0.00 0.00 59.36 57.51 3jtu h GLU 85 Cb 0.61 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.21 3jtu h GLU 85 CO 0.03 0.97 -1.88 0.54 -1.18 0.00 0.00 179.01 177.49 3jtu n ARG 86 N -4.30 0.72 0.00 1.92 5.12 0.08 -4.40 116.66 115.80 3jtu n ARG 86 Ca -0.06 0.28 0.03 0.00 -1.93 0.00 0.00 57.85 56.18 3jtu n ARG 86 Cb 0.50 -1.75 0.02 0.00 -1.16 0.00 0.00 32.46 30.07 3jtu n ARG 86 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3jtu n LEU 87 N -3.33 1.35 -2.96 0.55 4.77 -0.36 -4.63 117.00 112.38 3jtu n LEU 87 Ca -0.26 -0.90 -0.21 0.00 -0.03 0.00 0.00 56.01 54.60 3jtu n LEU 87 Cb 1.05 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 42.19 3jtu n LEU 87 CO 0.44 0.28 0.07 0.54 -1.33 0.00 0.00 177.39 177.39 3jtu n ARG 88 N 0.11 -5.40 -3.68 3.23 5.12 -0.61 -4.95 116.66 110.48 3jtu n ARG 88 Ca 0.04 0.82 -0.36 0.00 -1.93 0.00 0.00 57.85 56.42 3jtu n ARG 88 Cb 0.16 -5.58 -0.08 0.00 -1.16 0.00 0.00 32.46 25.80 3jtu n ARG 88 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3jtu s ILE 89 N -3.18 5.38 0.21 0.55 1.01 -1.00 -4.91 121.20 119.26 3jtu s ILE 89 Ca 0.36 0.23 -0.31 0.00 0.00 0.00 0.00 60.65 60.94 3jtu s ILE 89 Cb -0.16 -3.50 -0.10 0.00 0.01 0.00 0.00 42.46 38.71 3jtu s ILE 89 CO 0.44 0.40 1.48 -0.55 0.00 0.00 0.00 174.94 176.72 3jtu s SER 90 N 0.59 6.63 0.55 3.58 0.15 -1.26 -3.36 113.70 120.58 3jtu s SER 90 Ca 0.09 2.64 0.25 0.00 0.70 0.00 0.00 55.95 59.62 3jtu s SER 90 Cb -0.12 -2.61 1.46 0.00 -1.71 0.00 0.00 66.02 63.03 3jtu s SER 90 CO 0.01 -0.74 2.05 -0.65 1.20 0.00 0.00 173.24 175.10 3jtu h PRO 91 N 5.72 0.00 -0.08 5.44 0.11 -1.97 0.42 132.00 141.64 3jtu h PRO 91 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3jtu h PRO 91 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3jtu h PRO 91 CO 0.83 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.22 3jtu n ASP 92 N -4.20 0.55 -1.05 -2.05 5.75 -1.26 -2.59 116.55 111.70 3jtu n ASP 92 Ca 0.05 -1.76 -0.03 0.00 -0.01 0.00 0.00 54.79 53.03 3jtu n ASP 92 Cb 0.44 -0.05 0.15 0.00 -1.03 0.00 0.00 41.12 40.63 3jtu n ASP 92 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3jtu n ARG 93 N -0.31 2.21 -4.73 0.11 1.74 0.14 -5.00 116.66 110.83 3jtu n ARG 93 Ca 0.09 -3.57 -0.25 0.00 -0.77 0.00 0.00 57.85 53.35 3jtu n ARG 93 Cb 0.12 -1.83 -0.16 0.00 -1.02 0.00 0.00 32.46 29.57 3jtu n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3jtu s VAL 94 N -3.66 1.30 -0.03 1.55 1.01 -1.07 -1.58 120.40 117.92 3jtu s VAL 94 Ca 0.42 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.85 3jtu s VAL 94 Cb 0.38 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 3jtu s VAL 94 CO -0.04 0.38 -0.20 -0.31 0.00 0.00 0.00 175.10 174.94 3jtu s TYR 95 N 0.31 2.52 -0.13 5.22 2.02 -0.69 -4.99 117.35 121.61 3jtu s TYR 95 Ca -0.09 -0.30 -0.00 0.00 -0.37 0.00 0.00 57.07 56.31 3jtu s TYR 95 Cb -0.13 -1.56 0.03 0.00 -0.40 0.00 0.00 41.96 39.89 3jtu s TYR 95 CO 0.03 0.07 -0.08 0.42 -1.57 0.00 0.00 175.55 174.42 3jtu s ILE 96 N -0.67 1.13 -0.17 2.71 1.01 -1.26 -0.31 121.20 123.64 3jtu s ILE 96 Ca 0.11 -0.40 -0.19 0.00 0.00 0.00 0.00 60.65 60.16 3jtu s ILE 96 Cb -0.10 -1.16 -0.03 0.00 0.01 0.00 0.00 42.46 41.18 3jtu s ILE 96 CO -0.00 0.34 0.56 0.20 0.00 0.00 0.00 174.94 176.04 3jtu s ASN 97 N 1.66 6.66 -0.17 3.58 0.01 -0.15 -4.96 114.94 121.56 3jtu s ASN 97 Ca 0.04 0.79 -0.09 0.00 -0.71 0.00 0.00 52.86 52.89 3jtu s ASN 97 Cb -0.13 -2.32 -0.05 0.00 0.41 0.00 0.00 41.25 39.17 3jtu s ASN 97 CO -0.09 -0.17 0.13 -0.31 -1.51 0.00 0.00 177.10 175.16 3jtu s TYR 98 N 1.47 3.47 -0.16 2.20 2.02 -1.26 -1.12 117.35 123.96 3jtu s TYR 98 Ca 0.27 0.39 0.00 0.00 -0.37 0.00 0.00 57.07 57.36 3jtu s TYR 98 Cb -0.16 -2.08 0.02 0.00 -0.40 0.00 0.00 41.96 39.34 3jtu s TYR 98 CO 0.11 0.43 -0.15 0.71 -1.57 0.00 0.00 175.55 175.08 3jtu s TYR 99 N -0.10 2.30 -0.58 2.71 2.02 -0.12 -4.98 117.35 118.61 3jtu s TYR 99 Ca 0.10 -1.32 -0.23 0.00 -0.37 0.00 0.00 57.07 55.25 3jtu s TYR 99 Cb -0.11 -1.67 0.05 0.00 -0.40 0.00 0.00 41.96 39.83 3jtu s TYR 99 CO 0.00 -0.70 0.91 0.34 -1.57 0.00 0.00 175.55 174.53 3jtu s ASP 100 N 1.44 6.27 0.03 2.29 -1.08 -1.26 -1.51 116.67 122.86 3jtu s ASP 100 Ca 0.05 -0.61 -0.19 0.00 -0.52 0.00 0.00 52.55 51.28 3jtu s ASP 100 Cb -0.13 -2.41 -0.06 0.00 -1.46 0.00 0.00 42.92 38.86 3jtu s ASP 100 CO -0.11 -1.26 0.55 -0.04 0.52 0.00 0.00 175.17 174.83 3jtu s MET 101 N 3.84 4.20 0.21 4.34 -1.94 0.11 -4.90 119.30 125.16 3jtu s MET 101 Ca 0.26 0.68 -0.30 0.00 -1.71 0.00 0.00 55.69 54.62 3jtu s MET 101 Cb -0.15 -3.27 -0.08 0.00 2.01 0.00 0.00 34.83 33.34 3jtu s MET 101 CO 0.16 0.55 1.14 1.21 -0.01 0.00 0.00 175.02 178.07 3jtu s ASN 102 N -0.79 7.19 0.55 3.03 3.84 -1.26 -4.12 114.94 123.38 3jtu s ASN 102 Ca 0.29 2.21 0.24 0.00 0.21 0.00 0.00 52.86 55.80 3jtu s ASN 102 Cb -0.19 -2.61 1.47 0.00 -0.55 0.00 0.00 41.25 39.37 3jtu s ASN 102 CO 0.17 -0.26 2.09 0.00 -2.79 0.00 0.00 177.10 176.31 3jtu h ALA 103 N 4.75 2.08 0.00 1.71 0.00 -1.94 0.29 119.26 126.15 3jtu h ALA 103 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3jtu h ALA 103 Cb 1.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3jtu h ALA 103 CO 0.71 -0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.64 3jtu n ALA 104 N -2.49 1.87 -0.65 0.00 0.00 -1.26 -2.46 120.51 115.51 3jtu n ALA 104 Ca 0.03 0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.60 3jtu n ALA 104 Cb 0.34 -1.42 0.30 0.00 0.00 0.00 0.00 19.45 18.67 3jtu n ALA 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3jtu n ASN 105 N -2.25 4.27 -4.04 0.00 5.03 0.10 -4.84 115.26 113.53 3jtu n ASN 105 Ca 0.03 -2.54 -0.32 0.00 0.87 0.00 0.00 54.58 52.63 3jtu n ASN 105 Cb 0.30 -0.51 -0.16 0.00 -1.02 0.00 0.00 39.78 38.39 3jtu n ASN 105 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3jtu s VAL 106 N -1.99 1.92 0.18 2.41 1.01 -1.13 -4.91 120.40 117.88 3jtu s VAL 106 Ca 0.44 -1.26 -0.13 0.00 0.00 0.00 0.00 61.98 61.03 3jtu s VAL 106 Cb 0.30 -1.97 -0.07 0.00 0.00 0.00 0.00 36.38 34.64 3jtu s VAL 106 CO 0.18 0.14 0.56 -0.83 0.00 0.00 0.00 175.10 175.16 3jtu s GLY 107 N 1.26 2.42 -0.28 4.51 0.00 -1.26 -2.46 107.32 111.50 3jtu s GLY 107 Ca -0.03 -0.14 -0.21 0.00 0.00 0.00 0.00 44.72 44.33 3jtu s GLY 107 CO -0.08 0.10 0.99 0.86 0.00 0.00 0.00 173.10 174.98 3jtu s TRP 108 N -1.57 -0.55 -1.30 1.90 -0.00 0.59 -4.96 118.94 113.06 3jtu s TRP 108 Ca 0.41 1.21 -0.03 0.00 -0.00 0.00 0.00 56.10 57.69 3jtu s TRP 108 Cb -0.14 0.37 -0.00 0.00 -0.00 0.00 0.00 33.47 33.70 3jtu s TRP 108 CO 0.20 -0.27 0.65 -1.71 -0.00 0.00 0.00 176.95 175.82 3jtu n ASN 109 N 2.91 -1.70 0.00 5.86 4.05 -1.26 -1.74 115.26 123.38 3jtu n ASN 109 Ca -0.15 -0.89 0.00 0.00 0.45 0.00 0.00 54.58 53.99 3jtu n ASN 109 Cb 0.57 -3.77 0.00 0.00 1.23 0.00 0.00 39.78 37.81 3jtu n ASN 109 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3jtu n ASN 110 N -3.00 -0.62 0.00 1.20 3.02 -1.26 -4.91 115.26 109.70 3jtu n ASN 110 Ca -0.27 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.28 3jtu n ASN 110 Cb 0.67 -0.88 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 3jtu n ASN 110 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3jtu n SER 111 N -0.05 0.00 -4.52 6.41 2.88 -0.71 -5.19 113.62 112.45 3jtu n SER 111 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 3jtu n SER 111 Cb 0.02 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.40 3jtu n SER 111 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3jtu s THR 112 N -1.17 1.17 -2.20 2.46 -4.23 -1.26 -0.30 115.64 110.12 3jtu s THR 112 Ca 0.00 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.74 3jtu s THR 112 Cb 0.00 -2.46 0.55 0.00 1.34 0.00 0.00 72.50 71.92 3jtu s THR 112 CO 0.00 0.00 1.71 0.49 -0.54 0.00 0.00 174.62 176.28 3jtu n PHE 113 N -1.03 0.09 1.50 3.99 3.72 -1.03 -4.85 117.46 119.85 3jtu n PHE 113 Ca -0.10 -0.04 0.14 0.00 -0.05 0.00 0.00 57.45 57.39 3jtu n PHE 113 Cb 0.66 0.00 0.52 0.00 -0.94 0.00 0.00 39.48 39.73 3jtu n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71