#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 0.47 -0.11 -0.52 0.23 -0.73 -1.48 119.30 117.16 3jtu s MET 2 Ca 0.00 -0.09 0.03 0.00 -1.03 0.00 0.00 55.69 54.60 3jtu s MET 2 Cb 0.00 -0.52 0.01 0.00 -1.53 0.00 0.00 34.83 32.79 3jtu s MET 2 CO 0.00 -0.01 -0.21 0.12 -2.03 0.00 0.00 175.02 172.89 3jtu s PHE 3 N 0.44 2.43 -0.09 3.16 5.36 -0.27 -1.39 117.98 127.62 3jtu s PHE 3 Ca -0.05 -1.09 0.04 0.00 -0.96 0.00 0.00 56.93 54.87 3jtu s PHE 3 Cb -0.08 -1.66 -0.00 0.00 -0.34 0.00 0.00 43.02 40.94 3jtu s PHE 3 CO -0.00 -0.48 -0.23 0.42 -1.46 0.00 0.00 175.22 173.47 3jtu s ILE 4 N 0.60 2.18 -0.16 3.12 -1.09 -0.51 -1.57 121.20 123.77 3jtu s ILE 4 Ca -0.13 -0.99 0.02 0.00 -2.23 0.00 0.00 60.65 57.31 3jtu s ILE 4 Cb -0.17 -1.83 0.02 0.00 -1.58 0.00 0.00 42.46 38.90 3jtu s ILE 4 CO 0.04 0.56 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.41 3jtu s VAL 5 N 0.18 2.01 -0.16 2.92 1.01 0.53 -1.66 120.40 125.23 3jtu s VAL 5 Ca -0.13 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 60.88 3jtu s VAL 5 Cb -0.16 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 3jtu s VAL 5 CO 0.07 0.54 -0.03 0.20 0.00 0.00 0.00 175.10 175.88 3jtu s ASN 6 N 1.12 4.79 0.04 3.32 0.01 -0.26 0.30 114.94 124.25 3jtu s ASN 6 Ca 0.00 -0.15 -0.12 0.00 -0.71 0.00 0.00 52.86 51.89 3jtu s ASN 6 Cb -0.14 -1.79 0.01 0.00 0.41 0.00 0.00 41.25 39.74 3jtu s ASN 6 CO -0.08 0.15 0.25 0.28 -1.51 0.00 0.00 177.10 176.19 3jtu s THR 7 N 0.50 0.09 -2.37 1.60 -1.32 -0.21 -0.67 115.64 113.26 3jtu s THR 7 Ca -0.03 -0.78 0.28 0.00 -1.21 0.00 0.00 61.69 59.95 3jtu s THR 7 Cb -0.14 -0.93 0.51 0.00 -1.51 0.00 0.00 72.50 70.43 3jtu s THR 7 CO 0.03 -0.43 1.73 -0.46 -2.21 0.00 0.00 174.62 173.27 3jtu n ASN 8 N 0.62 1.40 -4.77 8.08 6.94 -1.23 -1.19 115.26 125.11 3jtu n ASN 8 Ca -0.19 -1.39 -0.41 0.00 -0.02 0.00 0.00 54.58 52.57 3jtu n ASN 8 Cb 0.59 0.02 -0.01 0.00 -2.36 0.00 0.00 39.78 38.03 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 -2.08 2.12 0.57 3.53 1.01 -1.26 -4.21 120.40 120.07 3jtu s VAL 9 Ca 0.36 0.11 -0.20 0.00 0.00 0.00 0.00 61.98 62.25 3jtu s VAL 9 Cb 0.21 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 3jtu s VAL 9 CO 0.36 0.03 1.25 -2.84 0.00 0.00 0.00 175.10 173.90 3jtu s PRO 10 N -1.81 3.07 0.34 2.72 0.02 -1.26 -0.41 135.00 137.67 3jtu s PRO 10 Ca 0.54 1.95 0.05 0.00 0.02 0.00 0.00 61.00 63.57 3jtu s PRO 10 Cb -0.46 -2.07 0.70 0.00 0.02 0.00 0.00 34.50 32.70 3jtu s PRO 10 CO 0.60 -1.16 1.89 -0.09 -0.33 0.00 0.00 177.00 177.91 3jtu h ARG 11 N 1.15 0.80 0.00 5.54 9.65 -1.93 -0.33 114.38 129.26 3jtu h ARG 11 Ca -0.50 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.32 3jtu h ARG 11 Cb 1.30 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 29.70 3jtu h ARG 11 CO 0.56 0.53 -0.04 0.00 2.80 0.00 0.00 179.97 183.82 3jtu h ALA 12 N 1.57 1.12 -0.01 2.80 0.00 -2.03 -1.86 119.26 120.86 3jtu h ALA 12 Ca 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3jtu h ALA 12 Cb 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3jtu h ALA 12 CO -0.18 0.05 -0.21 0.43 0.00 0.00 0.00 179.25 179.35 3jtu n SER 13 N -3.31 0.71 -4.61 0.00 7.64 -0.14 -4.76 113.62 109.15 3jtu n SER 13 Ca -0.02 -0.65 -0.42 0.00 1.01 0.00 0.00 58.87 58.79 3jtu n SER 13 Cb 0.19 0.04 -0.04 0.00 -1.01 0.00 0.00 64.21 63.39 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 4.65 0.58 0.44 1.01 -0.70 -4.74 120.40 119.09 3jtu s VAL 14 Ca 0.25 1.29 -0.19 0.00 0.00 0.00 0.00 61.98 63.33 3jtu s VAL 14 Cb 0.19 -4.28 -0.06 0.00 0.00 0.00 0.00 36.38 32.24 3jtu s VAL 14 CO 0.52 -0.42 0.92 -2.65 0.00 0.00 0.00 175.10 173.47 3jtu n PRO 15 N 6.57 0.91 0.06 2.72 -0.02 -1.26 -4.91 135.00 139.06 3jtu n PRO 15 Ca 0.07 0.35 -0.12 0.00 -2.02 0.00 0.00 63.50 61.78 3jtu n PRO 15 Cb 0.48 -2.10 -0.07 0.00 -0.02 0.00 0.00 33.50 31.79 3jtu n PRO 15 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3jtu h ASP 16 N 0.59 -0.08 -0.45 2.55 3.45 -1.95 -2.67 116.42 117.86 3jtu h ASP 16 Ca -0.48 0.01 -0.18 0.00 0.43 0.00 0.00 57.03 56.81 3jtu h ASP 16 Cb 1.36 0.03 -0.11 0.00 -0.56 0.00 0.00 39.33 40.05 3jtu h ASP 16 CO 0.51 -0.05 0.23 0.61 -1.57 0.00 0.00 179.24 178.97 3jtu n GLY 17 N -1.13 2.96 0.18 2.75 0.00 -1.26 -4.45 105.19 104.24 3jtu n GLY 17 Ca -0.07 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.29 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 1.08 0.62 -0.87 1.61 3.57 -1.83 -1.60 116.94 119.51 3jtu h PHE 18 Ca 0.22 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 3jtu h PHE 18 Cb 1.75 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 40.29 3jtu h PHE 18 CO 0.75 0.74 0.43 -0.07 -2.23 0.00 0.00 178.31 177.94 3jtu h LEU 19 N 0.32 1.13 -0.68 0.59 3.38 -1.83 -1.03 115.31 117.19 3jtu h LEU 19 Ca 0.07 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 3jtu h LEU 19 Cb 0.54 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3jtu h LEU 19 CO 0.03 0.94 -0.02 0.28 0.09 0.00 0.00 178.44 179.75 3jtu h SER 20 N 1.23 0.98 -0.39 -0.43 0.02 -1.85 -1.01 113.55 112.10 3jtu h SER 20 Ca 0.30 -0.28 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 3jtu h SER 20 Cb 0.10 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 3jtu h SER 20 CO -0.04 1.05 0.08 -0.08 -1.14 0.00 0.00 176.83 176.70 3jtu h GLU 21 N 0.92 0.64 -0.79 3.45 4.81 -0.83 -1.05 114.58 121.73 3jtu h GLU 21 Ca 0.16 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3jtu h GLU 21 Cb 0.56 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 3jtu h GLU 21 CO 0.03 0.67 0.45 -0.07 -0.73 0.00 0.00 179.01 179.37 3jtu h LEU 22 N 0.49 0.96 -0.12 1.64 3.38 -1.08 -0.40 115.31 120.19 3jtu h LEU 22 Ca 0.12 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3jtu h LEU 22 Cb 0.33 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3jtu h LEU 22 CO 0.00 0.76 0.07 0.74 0.09 0.00 0.00 178.44 180.11 3jtu h THR 23 N 1.08 1.08 -0.38 0.22 2.02 -0.86 0.20 112.91 116.27 3jtu h THR 23 Ca 0.28 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 67.21 3jtu h THR 23 Cb -0.01 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 3jtu h THR 23 CO -0.05 0.07 0.09 1.56 0.37 0.00 0.00 175.52 177.56 3jtu h GLN 24 N 0.11 0.61 -0.61 6.66 4.20 -1.00 -0.34 115.11 124.74 3jtu h GLN 24 Ca 0.04 -0.15 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 3jtu h GLN 24 Cb 0.05 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 3jtu h GLN 24 CO -0.01 0.64 0.12 1.96 -0.67 0.00 0.00 178.83 180.87 3jtu h GLN 25 N 0.46 0.99 -0.33 1.46 1.08 -0.97 -1.55 115.11 116.25 3jtu h GLN 25 Ca 0.12 -0.26 -0.13 0.00 -1.45 0.00 0.00 58.65 56.93 3jtu h GLN 25 Cb 0.31 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 3jtu h GLN 25 CO 0.00 0.92 -0.32 -0.07 -0.95 0.00 0.00 178.83 178.42 3jtu h LEU 26 N 0.90 0.75 -0.07 1.46 3.38 -0.85 0.51 115.31 121.39 3jtu h LEU 26 Ca 0.19 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.87 3jtu h LEU 26 Cb 0.40 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3jtu h LEU 26 CO 0.01 1.01 -0.03 0.00 0.09 0.00 0.00 178.44 179.51 3jtu h ALA 27 N 1.04 0.03 -0.35 1.53 0.00 -0.81 0.48 119.26 121.17 3jtu h ALA 27 Ca 0.07 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3jtu h ALA 27 Cb 0.84 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3jtu h ALA 27 CO 0.07 -0.51 0.21 0.37 0.00 0.00 0.00 179.25 179.39 3jtu h GLN 28 N -0.03 0.48 -0.47 0.00 4.15 -1.13 -0.54 115.11 117.58 3jtu h GLN 28 Ca 0.04 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 59.32 3jtu h GLN 28 Cb 0.09 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 3jtu h GLN 28 CO -0.09 0.37 -0.08 0.00 -1.93 0.00 0.00 178.83 177.10 3jtu h ALA 29 N 1.08 0.98 0.00 3.38 0.00 -0.64 -3.05 119.26 121.01 3jtu h ALA 29 Ca 0.13 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3jtu h ALA 29 Cb 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3jtu h ALA 29 CO -0.02 0.61 -0.76 0.25 0.00 0.00 0.00 179.25 179.33 3jtu n THR 30 N -4.17 0.22 -1.29 0.00 -2.24 0.14 -4.94 114.28 101.99 3jtu n THR 30 Ca 0.02 -0.21 -0.07 0.00 -2.27 0.00 0.00 64.05 61.52 3jtu n THR 30 Cb 0.36 0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.64 3jtu n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jtu n GLY 31 N 1.38 0.84 3.58 3.38 0.00 -0.24 -5.02 105.19 109.10 3jtu n GLY 31 Ca 0.03 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.75 2.28 0.51 1.61 1.02 -1.01 -5.04 119.74 116.37 3jtu s LYS 32 Ca 0.00 -0.92 -0.23 0.00 0.02 0.00 0.00 55.97 54.85 3jtu s LYS 32 Cb 0.00 -2.37 -0.06 0.00 -0.52 0.00 0.00 37.83 34.88 3jtu s LYS 32 CO 0.00 0.54 1.34 -1.25 -0.92 0.00 0.00 175.35 175.06 3jtu s PRO 33 N -1.91 3.34 0.60 -1.68 0.04 -1.26 -4.53 135.00 129.60 3jtu s PRO 33 Ca 0.20 2.19 0.31 0.00 0.04 0.00 0.00 61.00 63.74 3jtu s PRO 33 Cb -0.11 -2.36 1.84 0.00 0.04 0.00 0.00 34.50 33.91 3jtu s PRO 33 CO 0.11 -1.01 2.23 -1.00 0.04 0.00 0.00 177.00 177.37 3jtu h PRO 34 N 1.72 0.00 -0.00 0.56 0.13 -1.92 -1.91 132.00 130.59 3jtu h PRO 34 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3jtu h PRO 34 Cb 1.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 3jtu h PRO 34 CO 0.58 0.00 0.00 1.96 -0.23 0.00 0.00 178.00 180.32 3jtu h GLN 35 N 0.00 0.00 0.00 0.86 7.50 -1.98 -1.11 115.11 120.38 3jtu h GLN 35 Ca 0.02 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.15 3jtu h GLN 35 Cb 0.12 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.65 3jtu h GLN 35 CO -0.00 0.00 -1.10 0.66 -1.50 0.00 0.00 178.83 176.89 3jtu n TYR 36 N -3.12 0.94 -2.73 2.96 4.01 -0.72 -4.95 117.16 113.55 3jtu n TYR 36 Ca -0.03 0.28 -0.42 0.00 -0.16 0.00 0.00 57.90 57.57 3jtu n TYR 36 Cb 0.08 -0.96 -0.03 0.00 -0.31 0.00 0.00 39.34 38.11 3jtu n TYR 36 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3jtu s ILE 37 N -3.31 4.87 -0.07 -0.72 -1.09 -0.42 -4.08 121.20 116.37 3jtu s ILE 37 Ca -0.01 2.01 0.03 0.00 -2.23 0.00 0.00 60.65 60.45 3jtu s ILE 37 Cb 0.10 -4.30 -0.02 0.00 -1.58 0.00 0.00 42.46 36.66 3jtu s ILE 37 CO 0.80 0.14 -0.17 0.00 -1.23 0.00 0.00 174.94 174.48 3jtu s ALA 38 N 1.18 2.53 0.05 9.38 0.00 -0.55 -5.03 121.76 129.33 3jtu s ALA 38 Ca 0.50 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.54 3jtu s ALA 38 Cb -0.20 -0.96 -0.03 0.00 0.00 0.00 0.00 23.12 21.93 3jtu s ALA 38 CO 0.25 0.44 -0.14 0.14 0.00 0.00 0.00 175.76 176.46 3jtu s VAL 39 N -0.31 1.08 -0.17 0.00 -7.23 -1.26 -1.12 120.40 111.39 3jtu s VAL 39 Ca 0.02 -1.14 -0.06 0.00 -1.81 0.00 0.00 61.98 58.99 3jtu s VAL 39 Cb -0.13 -1.01 0.08 0.00 0.56 0.00 0.00 36.38 35.88 3jtu s VAL 39 CO 0.03 -0.12 0.37 -2.28 -0.31 0.00 0.00 175.10 172.78 3jtu s HIS 40 N -1.06 -0.67 -0.12 2.82 5.04 -0.61 -4.98 115.29 115.72 3jtu s HIS 40 Ca -0.01 1.34 0.03 0.00 -1.54 0.00 0.00 55.06 54.88 3jtu s HIS 40 Cb -0.09 0.19 0.01 0.00 0.04 0.00 0.00 32.58 32.73 3jtu s HIS 40 CO 0.02 -0.44 -0.22 0.08 -2.34 0.00 0.00 174.74 171.84 3jtu s VAL 41 N 2.52 2.00 -0.37 0.89 1.01 -1.26 -0.34 120.40 124.85 3jtu s VAL 41 Ca -0.01 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.04 3jtu s VAL 41 Cb -0.12 -1.75 0.11 0.00 0.00 0.00 0.00 36.38 34.62 3jtu s VAL 41 CO -0.11 0.54 0.09 -0.69 0.00 0.00 0.00 175.10 174.93 3jtu s VAL 42 N 0.59 2.16 0.85 2.92 1.01 0.15 -4.97 120.40 123.10 3jtu s VAL 42 Ca -0.13 -2.40 -0.11 0.00 0.00 0.00 0.00 61.98 59.34 3jtu s VAL 42 Cb -0.17 -2.58 0.15 0.00 0.00 0.00 0.00 36.38 33.77 3jtu s VAL 42 CO 0.04 -0.64 1.19 -2.16 0.00 0.00 0.00 175.10 173.52 3jtu s PRO 43 N 0.79 1.28 -1.72 2.72 0.04 -1.26 -1.05 135.00 135.81 3jtu s PRO 43 Ca 0.12 -0.44 0.00 0.00 0.04 0.00 0.00 61.00 60.72 3jtu s PRO 43 Cb -0.20 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.33 3jtu s PRO 43 CO -0.08 -1.92 0.00 -0.25 0.04 0.00 0.00 177.00 174.79 3jtu n ASP 44 N -3.39 -5.46 -4.84 6.66 8.00 0.45 -4.84 116.55 113.14 3jtu n ASP 44 Ca 0.13 0.08 -0.32 0.00 0.71 0.00 0.00 54.79 55.39 3jtu n ASP 44 Cb 0.60 -4.53 -0.06 0.00 -0.02 0.00 0.00 41.12 37.11 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 -4.67 4.04 -0.65 -1.24 -1.52 -0.33 -4.94 119.66 110.35 3jtu s GLN 45 Ca 0.00 0.84 -0.22 0.00 -1.95 0.00 0.00 55.36 54.03 3jtu s GLN 45 Cb 0.00 -2.29 0.08 0.00 -0.22 0.00 0.00 33.01 30.57 3jtu s GLN 45 CO 0.00 0.00 0.92 -1.17 -0.25 0.00 0.00 175.29 174.79 3jtu s LEU 46 N -3.33 4.57 0.07 2.90 2.96 -1.26 -4.13 118.68 120.46 3jtu s LEU 46 Ca 0.57 -1.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.42 3jtu s LEU 46 Cb -0.10 -2.40 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 3jtu s LEU 46 CO 0.20 -1.38 -0.06 -0.04 -1.32 0.00 0.00 176.35 173.75 3jtu s MET 47 N 3.81 0.69 0.04 1.98 -1.94 -1.26 -5.08 119.30 117.53 3jtu s MET 47 Ca 0.20 -1.15 0.03 0.00 -1.71 0.00 0.00 55.69 53.06 3jtu s MET 47 Cb -0.18 -0.10 -0.02 0.00 2.01 0.00 0.00 34.83 36.54 3jtu s MET 47 CO 0.09 -0.03 -0.09 0.00 -0.01 0.00 0.00 175.02 174.98 3jtu s ALA 48 N -3.14 0.74 -0.09 3.03 0.00 -1.26 -4.56 121.76 116.48 3jtu s ALA 48 Ca 0.05 -0.71 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 3jtu s ALA 48 Cb 0.02 -0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.13 3jtu s ALA 48 CO -0.05 0.07 -0.01 0.12 0.00 0.00 0.00 175.76 175.90 3jtu s PHE 49 N -1.04 0.81 -1.82 0.00 2.19 0.10 -4.73 117.98 113.50 3jtu s PHE 49 Ca -0.05 -0.31 0.00 0.00 0.33 0.00 0.00 56.93 56.91 3jtu s PHE 49 Cb -0.08 -0.88 0.00 0.00 -1.31 0.00 0.00 43.02 40.75 3jtu s PHE 49 CO 0.01 -0.38 0.00 0.41 1.83 0.00 0.00 175.22 177.09 3jtu n GLY 50 N 5.11 0.73 2.01 13.12 0.00 -1.26 -1.93 105.19 122.98 3jtu n GLY 50 Ca -0.08 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.83 0.81 3.47 -0.02 0.00 -1.26 -5.03 105.19 102.33 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 -2.76 3.85 -0.25 1.61 0.15 -0.81 -5.04 113.70 110.45 3jtu s SER 52 Ca 0.00 -0.49 0.13 0.00 0.70 0.00 0.00 55.95 56.29 3jtu s SER 52 Cb 0.00 -0.58 0.68 0.00 -1.71 0.00 0.00 66.02 64.41 3jtu s SER 52 CO 0.00 0.22 1.64 -1.54 1.20 0.00 0.00 173.24 174.76 3jtu n SER 53 N 1.17 4.55 -4.65 5.45 3.41 -1.26 -0.72 113.62 121.58 3jtu n SER 53 Ca -0.16 -3.14 -0.30 0.00 -0.26 0.00 0.00 58.87 55.01 3jtu n SER 53 Cb 0.52 -0.66 0.17 0.00 -0.26 0.00 0.00 64.21 63.99 3jtu n SER 53 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3jtu s GLU 54 N -2.91 0.75 0.15 4.33 0.41 -1.26 -4.86 118.70 115.30 3jtu s GLU 54 Ca 0.50 1.31 -0.34 0.00 -0.41 0.00 0.00 54.97 56.03 3jtu s GLU 54 Cb 0.40 -1.71 -0.15 0.00 -1.78 0.00 0.00 34.13 30.88 3jtu s GLU 54 CO 0.11 -2.74 1.37 -2.30 -0.49 0.00 0.00 175.26 171.22 3jtu n PRO 55 N -4.29 1.53 -4.01 0.39 -0.02 -1.26 -4.85 135.00 122.49 3jtu n PRO 55 Ca 0.09 0.55 -0.11 0.00 -2.02 0.00 0.00 63.50 62.01 3jtu n PRO 55 Cb 0.53 -2.19 -0.04 0.00 -0.02 0.00 0.00 33.50 31.78 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 -3.45 -1.03 -0.15 0.00 0.00 -0.57 -3.53 121.76 113.03 3jtu s ALA 57 Ca 0.25 1.03 0.02 0.00 0.00 0.00 0.00 51.96 53.26 3jtu s ALA 57 Cb -0.01 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.61 3jtu s ALA 57 CO 0.14 -0.22 -0.21 -0.51 0.00 0.00 0.00 175.76 174.95 3jtu s LEU 58 N -0.15 2.09 0.26 0.00 1.43 0.16 -1.70 118.68 120.77 3jtu s LEU 58 Ca -0.03 -0.60 0.05 0.00 -1.03 0.00 0.00 54.13 52.51 3jtu s LEU 58 Cb -0.03 -1.43 -0.06 0.00 0.03 0.00 0.00 46.19 44.70 3jtu s LEU 58 CO 0.02 0.06 -0.02 0.00 0.23 0.00 0.00 176.35 176.63 3jtu s SER 60 N -3.37 0.02 -0.16 0.00 1.04 -0.66 -1.10 113.70 109.46 3jtu s SER 60 Ca 0.29 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.60 3jtu s SER 60 Cb 0.05 0.20 0.03 0.00 0.10 0.00 0.00 66.02 66.40 3jtu s SER 60 CO 0.10 -0.26 -0.11 -0.22 0.98 0.00 0.00 173.24 173.73 3jtu s LEU 61 N -0.96 1.74 -0.16 2.42 2.96 -0.35 -1.43 118.68 122.91 3jtu s LEU 61 Ca -0.10 -0.58 -0.07 0.00 -0.22 0.00 0.00 54.13 53.16 3jtu s LEU 61 Cb -0.06 -1.11 -0.04 0.00 0.50 0.00 0.00 46.19 45.48 3jtu s LEU 61 CO 0.01 -0.10 0.09 -1.00 -1.32 0.00 0.00 176.35 174.03 3jtu s HIS 62 N 1.52 3.38 -0.06 5.38 3.76 -0.49 -1.17 115.29 127.61 3jtu s HIS 62 Ca 0.03 0.29 -0.12 0.00 -0.15 0.00 0.00 55.06 55.11 3jtu s HIS 62 Cb -0.14 -2.02 0.02 0.00 1.11 0.00 0.00 32.58 31.56 3jtu s HIS 62 CO -0.09 0.40 0.29 0.45 -0.85 0.00 0.00 174.74 174.93 3jtu s SER 63 N -0.21 -0.22 -0.71 1.40 0.15 -0.69 -1.77 113.70 111.65 3jtu s SER 63 Ca 0.09 0.30 -0.22 0.00 0.70 0.00 0.00 55.95 56.82 3jtu s SER 63 Cb -0.12 0.45 0.07 0.00 -1.71 0.00 0.00 66.02 64.71 3jtu s SER 63 CO 0.01 -0.28 1.02 -0.63 1.20 0.00 0.00 173.24 174.56 3jtu s ILE 64 N -0.63 4.32 0.00 6.45 1.01 -1.26 -0.74 121.20 130.35 3jtu s ILE 64 Ca -0.07 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.11 3jtu s ILE 64 Cb -0.04 -4.72 0.00 0.00 0.01 0.00 0.00 42.46 37.71 3jtu s ILE 64 CO 0.02 -1.50 0.00 0.61 0.00 0.00 0.00 174.94 174.07 3jtu n GLY 65 N 5.40 -2.26 2.43 6.18 0.00 -1.26 -4.95 105.19 110.73 3jtu n GLY 65 Ca 0.01 -1.52 -0.21 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.75 -1.83 -4.96 1.61 4.76 -1.26 -4.93 118.16 110.80 3jtu n LYS 66 Ca 0.00 1.01 -0.28 0.00 -2.87 0.00 0.00 58.31 56.17 3jtu n LYS 66 Cb 0.00 -5.69 -0.17 0.00 -1.84 0.00 0.00 35.03 27.33 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 -3.05 1.65 0.00 -0.18 -1.09 -1.26 -4.86 121.20 112.40 3jtu s ILE 67 Ca 0.01 -0.80 0.00 0.00 -2.23 0.00 0.00 60.65 57.63 3jtu s ILE 67 Cb -0.01 -1.44 0.00 0.00 -1.58 0.00 0.00 42.46 39.44 3jtu s ILE 67 CO 0.02 0.47 0.00 0.61 -1.23 0.00 0.00 174.94 174.81 3jtu n GLY 68 N 3.44 0.22 0.03 6.18 0.00 -1.26 -4.99 105.19 108.81 3jtu n GLY 68 Ca -0.20 -1.08 -0.01 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.06 0.94 -0.02 0.00 -1.99 0.47 103.07 100.42 3jtu h GLY 69 Ca 0.00 0.91 -0.03 0.00 0.00 0.00 0.00 47.33 48.21 3jtu h GLY 69 CO 0.00 -0.76 0.15 0.00 0.00 0.00 0.00 176.54 175.93 3jtu h ALA 70 N -1.12 0.54 -0.83 3.60 0.00 -2.00 -2.41 119.26 117.03 3jtu h ALA 70 Ca 0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3jtu h ALA 70 Cb 0.04 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3jtu h ALA 70 CO -0.05 0.16 0.44 1.96 0.00 0.00 0.00 179.25 181.75 3jtu h GLN 71 N 0.52 1.17 -0.31 0.00 4.20 -1.87 -2.11 115.11 116.71 3jtu h GLN 71 Ca 0.14 -0.15 -0.10 0.00 0.06 0.00 0.00 58.65 58.60 3jtu h GLN 71 Cb 0.21 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3jtu h GLN 71 CO -0.01 0.87 -0.23 -0.91 -0.67 0.00 0.00 178.83 177.88 3jtu h ASN 72 N 1.16 0.60 -0.62 1.46 2.35 0.13 0.13 115.58 120.80 3jtu h ASN 72 Ca 0.29 -0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 3jtu h ASN 72 Cb 0.06 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 3jtu h ASN 72 CO -0.04 0.83 0.28 0.03 -1.65 0.00 0.00 177.43 176.87 3jtu h ARG 73 N 0.53 0.94 -0.32 0.81 3.08 -1.02 -0.03 114.38 118.36 3jtu h ARG 73 Ca 0.08 -0.14 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 3jtu h ARG 73 Cb 0.69 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 3jtu h ARG 73 CO 0.05 0.75 -0.12 1.03 -1.07 0.00 0.00 179.97 180.61 3jtu h SER 74 N 0.93 0.66 -0.90 7.04 0.87 -0.71 -2.12 113.55 119.32 3jtu h SER 74 Ca 0.22 -0.39 0.02 0.00 -1.23 0.00 0.00 61.79 60.42 3jtu h SER 74 Cb 0.15 -0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 61.88 3jtu h SER 74 CO -0.02 0.90 0.59 1.88 -0.53 0.00 0.00 176.83 179.65 3jtu h TYR 75 N 0.41 1.11 -0.48 2.24 0.05 -0.64 -2.09 116.97 117.57 3jtu h TYR 75 Ca 0.07 0.03 -0.12 0.00 0.05 0.00 0.00 58.73 58.76 3jtu h TYR 75 Cb 0.64 -0.37 -0.02 0.00 1.01 0.00 0.00 36.73 37.99 3jtu h TYR 75 CO 0.06 0.66 -0.17 0.77 -1.05 0.00 0.00 178.16 178.43 3jtu h SER 76 N 1.16 0.94 -0.51 3.88 0.02 -0.83 0.12 113.55 118.34 3jtu h SER 76 Ca 0.35 -0.33 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 3jtu h SER 76 Cb -0.05 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.21 3jtu h SER 76 CO -0.10 1.09 0.16 0.50 -1.14 0.00 0.00 176.83 177.35 3jtu h LYS 77 N 0.82 0.79 0.06 3.45 3.64 -1.20 -0.28 116.57 123.85 3jtu h LYS 77 Ca 0.12 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3jtu h LYS 77 Cb 0.72 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3jtu h LYS 77 CO 0.05 0.73 -0.03 1.25 -2.27 0.00 0.00 179.45 179.19 3jtu h LEU 78 N 0.69 -0.07 -0.10 5.20 5.85 -1.07 -1.76 115.31 124.05 3jtu h LEU 78 Ca 0.16 -0.18 -0.21 0.00 0.84 0.00 0.00 57.88 58.49 3jtu h LEU 78 Cb 0.27 0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.33 3jtu h LEU 78 CO -0.01 0.14 -0.76 -0.07 -0.34 0.00 0.00 178.44 177.41 3jtu h LEU 79 N -0.28 0.84 -1.15 2.25 3.38 -0.73 -1.92 115.31 117.70 3jtu h LEU 79 Ca -0.01 -0.67 -0.01 0.00 0.09 0.00 0.00 57.88 57.28 3jtu h LEU 79 Cb 0.25 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3jtu h LEU 79 CO 0.01 1.38 0.40 0.00 0.09 0.00 0.00 178.44 180.32 3jtu h GLY 81 N 1.04 0.53 0.97 0.00 0.00 -1.01 -0.69 103.07 103.92 3jtu h GLY 81 Ca 0.26 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 3jtu h GLY 81 CO -0.04 0.20 0.08 1.41 0.00 0.00 0.00 176.54 178.19 3jtu h LEU 82 N 0.50 0.74 -0.79 3.11 3.38 -1.03 -0.74 115.31 120.47 3jtu h LEU 82 Ca 0.14 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 3jtu h LEU 82 Cb -0.03 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 3jtu h LEU 82 CO -0.03 0.81 0.19 -0.07 0.09 0.00 0.00 178.44 179.43 3jtu h LEU 83 N 0.64 1.03 -0.04 1.67 3.38 -1.03 0.10 115.31 121.07 3jtu h LEU 83 Ca 0.14 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3jtu h LEU 83 Cb 0.38 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3jtu h LEU 83 CO 0.01 0.98 -0.01 0.00 0.09 0.00 0.00 178.44 179.50 3jtu h ALA 84 N 1.15 0.05 -0.50 1.53 0.00 -0.99 0.61 119.26 121.10 3jtu h ALA 84 Ca 0.22 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 3jtu h ALA 84 Cb 0.34 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3jtu h ALA 84 CO -0.00 -0.23 -0.15 1.49 0.00 0.00 0.00 179.25 180.36 3jtu h GLU 85 N -0.31 0.99 0.05 0.00 4.81 -1.01 -1.12 114.58 117.99 3jtu h GLU 85 Ca 0.01 -0.39 -0.37 0.00 -0.13 0.00 0.00 59.36 58.48 3jtu h GLU 85 Cb 0.43 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.71 3jtu h GLU 85 CO 0.00 1.07 -2.19 0.54 -0.73 0.00 0.00 179.01 177.70 3jtu n ARG 86 N -4.16 0.69 0.00 1.92 5.12 0.34 -4.48 116.66 116.09 3jtu n ARG 86 Ca 0.01 0.19 0.06 0.00 -1.93 0.00 0.00 57.85 56.18 3jtu n ARG 86 Cb 0.42 -1.63 -0.03 0.00 -1.16 0.00 0.00 32.46 30.06 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 -3.26 1.07 -3.24 0.55 4.77 0.10 -4.64 117.00 112.37 3jtu n LEU 87 Ca -0.35 -0.65 -0.21 0.00 -0.03 0.00 0.00 56.01 54.76 3jtu n LEU 87 Cb 1.04 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 42.20 3jtu n LEU 87 CO 0.37 0.22 0.20 0.54 -1.33 0.00 0.00 177.39 177.40 3jtu n ARG 88 N -0.68 -6.95 -3.72 3.23 1.74 -0.42 -4.95 116.66 104.89 3jtu n ARG 88 Ca 0.04 0.75 -0.36 0.00 -0.77 0.00 0.00 57.85 57.51 3jtu n ARG 88 Cb 0.25 -5.54 -0.10 0.00 -1.02 0.00 0.00 32.46 26.05 3jtu n ARG 88 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3jtu s ILE 89 N -3.27 5.19 0.28 0.55 1.01 -1.08 -4.93 121.20 118.95 3jtu s ILE 89 Ca 0.51 0.12 -0.30 0.00 0.00 0.00 0.00 60.65 60.98 3jtu s ILE 89 Cb -0.22 -3.41 -0.11 0.00 0.01 0.00 0.00 42.46 38.73 3jtu s ILE 89 CO 0.63 0.36 1.48 -0.55 0.00 0.00 0.00 174.94 176.86 3jtu s SER 90 N 0.98 6.55 0.53 3.58 0.15 -1.26 -3.32 113.70 120.91 3jtu s SER 90 Ca 0.07 2.78 0.23 0.00 0.70 0.00 0.00 55.95 59.73 3jtu s SER 90 Cb -0.13 -2.63 1.38 0.00 -1.71 0.00 0.00 66.02 62.93 3jtu s SER 90 CO 0.04 -0.76 2.04 -0.65 1.20 0.00 0.00 173.24 175.10 3jtu h PRO 91 N 4.68 0.00 -0.16 5.44 0.11 -1.97 -0.10 132.00 140.00 3jtu h PRO 91 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3jtu h PRO 91 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3jtu h PRO 91 CO 0.76 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.15 3jtu n ASP 92 N -4.37 0.89 -0.87 -2.05 5.75 -1.26 -2.61 116.55 112.02 3jtu n ASP 92 Ca 0.06 -1.95 0.01 0.00 -0.01 0.00 0.00 54.79 52.89 3jtu n ASP 92 Cb 0.46 -0.11 0.17 0.00 -1.03 0.00 0.00 41.12 40.61 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 -0.03 1.91 -4.88 0.11 1.74 -0.05 -5.01 116.66 110.44 3jtu n ARG 93 Ca 0.07 -3.43 -0.28 0.00 -0.77 0.00 0.00 57.85 53.44 3jtu n ARG 93 Cb 0.15 -1.70 -0.17 0.00 -1.02 0.00 0.00 32.46 29.72 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 -3.41 1.55 -0.07 1.55 1.01 -1.07 -1.50 120.40 118.44 3jtu s VAL 94 Ca 0.40 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.67 3jtu s VAL 94 Cb 0.38 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 3jtu s VAL 94 CO -0.05 0.44 -0.14 -0.31 0.00 0.00 0.00 175.10 175.04 3jtu s TYR 95 N 0.36 2.72 -0.15 5.22 2.02 -0.69 -5.00 117.35 121.84 3jtu s TYR 95 Ca -0.13 -0.29 0.00 0.00 -0.37 0.00 0.00 57.07 56.28 3jtu s TYR 95 Cb -0.15 -1.68 0.03 0.00 -0.40 0.00 0.00 41.96 39.76 3jtu s TYR 95 CO 0.05 0.08 -0.10 0.42 -1.57 0.00 0.00 175.55 174.43 3jtu s ILE 96 N -0.45 1.37 -0.20 2.71 1.01 -1.26 -0.16 121.20 124.22 3jtu s ILE 96 Ca 0.05 -0.62 -0.19 0.00 0.00 0.00 0.00 60.65 59.89 3jtu s ILE 96 Cb -0.12 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 3jtu s ILE 96 CO 0.02 0.32 0.54 0.20 0.00 0.00 0.00 174.94 176.02 3jtu s ASN 97 N 1.55 6.59 -0.17 3.58 0.01 -0.26 -4.95 114.94 121.29 3jtu s ASN 97 Ca 0.03 0.71 -0.09 0.00 -0.71 0.00 0.00 52.86 52.80 3jtu s ASN 97 Cb -0.14 -2.30 -0.05 0.00 0.41 0.00 0.00 41.25 39.17 3jtu s ASN 97 CO -0.09 -0.20 0.13 -0.31 -1.51 0.00 0.00 177.10 175.12 3jtu s TYR 98 N 1.69 3.46 -0.14 2.20 2.02 -1.26 -1.21 117.35 124.11 3jtu s TYR 98 Ca 0.25 0.38 0.01 0.00 -0.37 0.00 0.00 57.07 57.34 3jtu s TYR 98 Cb -0.16 -2.09 0.02 0.00 -0.40 0.00 0.00 41.96 39.34 3jtu s TYR 98 CO 0.10 0.42 -0.16 0.71 -1.57 0.00 0.00 175.55 175.05 3jtu s TYR 99 N -0.07 2.24 -0.61 2.71 2.02 -0.31 -4.97 117.35 118.35 3jtu s TYR 99 Ca 0.10 -1.20 -0.21 0.00 -0.37 0.00 0.00 57.07 55.38 3jtu s TYR 99 Cb -0.11 -1.61 0.08 0.00 -0.40 0.00 0.00 41.96 39.91 3jtu s TYR 99 CO -0.00 -0.63 0.84 0.34 -1.57 0.00 0.00 175.55 174.53 3jtu s ASP 100 N 1.26 6.20 0.13 2.29 -1.08 -1.26 -1.70 116.67 122.50 3jtu s ASP 100 Ca 0.01 -1.06 -0.21 0.00 -0.52 0.00 0.00 52.55 50.77 3jtu s ASP 100 Cb -0.14 -2.37 -0.07 0.00 -1.46 0.00 0.00 42.92 38.88 3jtu s ASP 100 CO -0.08 -1.26 0.65 -0.04 0.52 0.00 0.00 175.17 174.97 3jtu s MET 101 N 3.45 4.29 0.31 4.34 -1.94 0.08 -4.91 119.30 124.92 3jtu s MET 101 Ca 0.19 0.85 -0.27 0.00 -1.71 0.00 0.00 55.69 54.75 3jtu s MET 101 Cb -0.19 -3.16 -0.10 0.00 2.01 0.00 0.00 34.83 33.39 3jtu s MET 101 CO 0.10 0.57 0.97 1.21 -0.01 0.00 0.00 175.02 177.86 3jtu s ASN 102 N -1.25 7.32 0.51 3.03 3.84 -1.26 -4.13 114.94 122.99 3jtu s ASN 102 Ca 0.34 1.92 0.19 0.00 0.21 0.00 0.00 52.86 55.51 3jtu s ASN 102 Cb -0.20 -2.59 1.27 0.00 -0.55 0.00 0.00 41.25 39.18 3jtu s ASN 102 CO 0.21 -0.09 2.06 0.00 -2.79 0.00 0.00 177.10 176.50 3jtu h ALA 103 N 3.32 2.18 0.00 1.71 0.00 -1.95 0.86 119.26 125.38 3jtu h ALA 103 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3jtu h ALA 103 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3jtu h ALA 103 CO 0.65 -0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.65 3jtu h ALA 104 N 1.85 1.00 -0.44 0.00 0.00 -1.92 -2.52 119.26 117.22 3jtu h ALA 104 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3jtu h ALA 104 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3jtu h ALA 104 CO -0.01 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.33 3jtu n ASN 105 N -2.71 4.06 -4.04 0.00 5.03 0.29 -4.85 115.26 113.04 3jtu n ASN 105 Ca 0.02 -2.53 -0.31 0.00 0.87 0.00 0.00 54.58 52.62 3jtu n ASN 105 Cb 0.30 -0.48 -0.16 0.00 -1.02 0.00 0.00 39.78 38.42 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 -1.98 1.84 0.15 2.41 1.01 -1.17 -4.90 120.40 117.77 3jtu s VAL 106 Ca 0.41 -1.05 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 3jtu s VAL 106 Cb 0.28 -1.82 -0.07 0.00 0.00 0.00 0.00 36.38 34.77 3jtu s VAL 106 CO 0.17 0.27 0.51 -0.83 0.00 0.00 0.00 175.10 175.22 3jtu s GLY 107 N 1.33 2.38 -0.28 4.51 0.00 -1.26 -2.69 107.32 111.31 3jtu s GLY 107 Ca -0.00 -0.24 -0.24 0.00 0.00 0.00 0.00 44.72 44.24 3jtu s GLY 107 CO -0.09 -0.01 0.98 0.86 0.00 0.00 0.00 173.10 174.83 3jtu s TRP 108 N -1.55 -0.54 -1.31 1.90 -0.00 0.04 -4.95 118.94 112.52 3jtu s TRP 108 Ca 0.39 1.28 -0.04 0.00 -0.00 0.00 0.00 56.10 57.73 3jtu s TRP 108 Cb -0.14 0.36 -0.00 0.00 -0.00 0.00 0.00 33.47 33.69 3jtu s TRP 108 CO 0.20 -0.26 0.60 -1.71 -0.00 0.00 0.00 176.95 175.78 3jtu n ASN 109 N 2.47 -1.70 0.00 5.86 4.05 -1.26 -1.61 115.26 123.07 3jtu n ASN 109 Ca -0.13 -0.93 0.00 0.00 0.45 0.00 0.00 54.58 53.96 3jtu n ASN 109 Cb 0.56 -3.53 0.00 0.00 1.23 0.00 0.00 39.78 38.04 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 -2.96 -0.63 0.00 1.20 3.02 -1.26 -4.88 115.26 109.75 3jtu n ASN 110 Ca -0.26 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.29 3jtu n ASN 110 Cb 0.66 -0.84 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 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 -1.93 6.41 2.88 -0.63 -5.19 113.62 115.11 3jtu n SER 111 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 3jtu n SER 111 Cb 0.02 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.47 3jtu n SER 111 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3jtu n THR 112 N 0.00 0.00 -0.11 2.46 -2.24 -1.26 -0.78 114.28 112.35 3jtu n THR 112 Ca 0.00 -0.45 0.09 0.00 -2.27 0.00 0.00 64.05 61.41 3jtu n THR 112 Cb 0.00 0.16 0.29 0.00 -2.10 0.00 0.00 70.33 68.68 3jtu n THR 112 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3jtu n PHE 113 N -0.18 1.07 -3.33 4.78 3.72 -0.96 -4.64 117.46 117.93 3jtu n PHE 113 Ca -0.01 -0.46 -0.46 0.00 -0.05 0.00 0.00 57.45 56.47 3jtu n PHE 113 Cb 0.12 -0.12 -0.04 0.00 -0.94 0.00 0.00 39.48 38.49 3jtu n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3jtu s ALA 114 N -1.54 3.82 -0.69 4.37 0.00 -1.17 -4.71 121.76 121.84 3jtu s ALA 114 Ca 0.42 -2.87 0.07 0.00 0.00 0.00 0.00 51.96 49.58 3jtu s ALA 114 Cb 0.25 -3.36 0.14 0.00 0.00 0.00 0.00 23.12 20.15 3jtu s ALA 114 CO 0.24 -2.12 1.00 1.28 0.00 0.00 0.00 175.76 176.15 3jtu n LEU 115 N 4.71 2.22 -0.01 0.00 4.77 -1.26 -4.70 117.00 122.72 3jtu n LEU 115 Ca -0.02 -1.63 0.00 0.00 -0.03 0.00 0.00 56.01 54.32 3jtu n LEU 115 Cb 0.43 -0.09 -0.12 0.00 -2.33 0.00 0.00 43.42 41.31 3jtu n LEU 115 CO 0.45 0.53 -0.61 -0.62 -1.33 0.00 0.00 177.39 175.80 3jtu n GLU 116 N 0.23 0.65 -4.15 3.23 4.71 -1.26 -5.00 120.64 119.05 3jtu n GLU 116 Ca 0.06 0.07 -0.10 0.00 -0.01 0.00 0.00 57.16 57.18 3jtu n GLU 116 Cb 0.29 -1.67 -0.10 0.00 -1.01 0.00 0.00 31.44 28.95 3jtu n GLU 116 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 3jtu s HIS 117 N -2.95 0.82 0.00 -0.32 3.76 -1.26 -5.34 115.29 110.01 3jtu s HIS 117 Ca -0.06 -0.99 0.00 0.00 -0.15 0.00 0.00 55.06 53.86 3jtu s HIS 117 Cb 0.09 -0.50 0.00 0.00 1.11 0.00 0.00 32.58 33.28 3jtu s HIS 117 CO 0.84 -0.25 0.20 0.72 -0.85 0.00 0.00 174.74 175.40