#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uty s THR 9 N 0.00 5.06 -0.13 1.97 2.01 -1.26 -4.71 115.64 118.57 1uty s THR 9 Ca 0.00 1.15 -0.01 0.00 0.31 0.00 0.00 61.69 63.14 1uty s THR 9 Cb 0.00 -3.90 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 1uty s THR 9 CO 0.00 0.35 -0.10 -0.54 -0.69 0.00 0.00 174.62 173.64 1uty s LYS 10 N 0.31 3.38 -0.21 4.92 -0.14 0.25 -4.99 119.74 123.26 1uty s LYS 10 Ca 0.30 -0.63 -0.02 0.00 -1.36 0.00 0.00 55.97 54.25 1uty s LYS 10 Cb -0.17 -2.69 -0.00 0.00 -1.68 0.00 0.00 37.83 33.29 1uty s LYS 10 CO 0.14 0.27 -0.09 -0.80 -0.76 0.00 0.00 175.35 174.11 1uty s ASN 11 N 0.22 3.96 -0.16 2.83 0.01 -1.26 -1.13 114.94 119.41 1uty s ASN 11 Ca -0.07 -0.46 -0.01 0.00 -0.71 0.00 0.00 52.86 51.61 1uty s ASN 11 Cb -0.15 -1.66 -0.01 0.00 0.41 0.00 0.00 41.25 39.84 1uty s ASN 11 CO 0.04 -0.01 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.87 1uty s ILE 12 N 1.38 2.92 -0.44 0.60 1.09 0.08 -0.94 121.20 125.90 1uty s ILE 12 Ca 0.05 -0.68 -0.08 0.00 -1.10 0.00 0.00 60.65 58.84 1uty s ILE 12 Cb -0.14 -2.26 0.10 0.00 -1.06 0.00 0.00 42.46 39.11 1uty s ILE 12 CO -0.06 0.50 0.29 -0.36 -0.10 0.00 0.00 174.94 175.21 1uty s PHE 13 N 0.83 3.42 -0.17 3.97 0.40 0.23 0.29 117.98 126.96 1uty s PHE 13 Ca -0.04 -1.86 -0.29 0.00 -0.60 0.00 0.00 56.93 54.14 1uty s PHE 13 Cb -0.15 -3.25 -0.00 0.00 0.51 0.00 0.00 43.02 40.13 1uty s PHE 13 CO 0.00 -0.94 1.09 0.08 0.70 0.00 0.00 175.22 176.15 1uty s VAL 14 N 1.34 4.59 -0.35 -0.44 1.01 -0.43 -1.02 120.40 125.10 1uty s VAL 14 Ca 0.05 1.90 -0.09 0.00 0.00 0.00 0.00 61.98 63.84 1uty s VAL 14 Cb -0.24 -4.22 0.02 0.00 0.00 0.00 0.00 36.38 31.94 1uty s VAL 14 CO -0.00 -0.11 0.16 -0.22 0.00 0.00 0.00 175.10 174.92 1uty s LEU 15 N 2.85 4.43 -0.48 3.92 2.96 0.07 -1.54 118.68 130.89 1uty s LEU 15 Ca 0.48 -0.94 0.06 0.00 -0.22 0.00 0.00 54.13 53.51 1uty s LEU 15 Cb -0.18 -1.96 0.21 0.00 0.50 0.00 0.00 46.19 44.76 1uty s LEU 15 CO 0.12 -0.32 0.48 -0.67 -1.32 0.00 0.00 176.35 174.64 1uty n ASP 16 N 4.93 0.86 -0.22 3.68 2.03 -1.26 -1.13 116.55 125.43 1uty n ASP 16 Ca -0.13 -2.76 0.13 0.00 0.52 0.00 0.00 54.79 52.56 1uty n ASP 16 Cb 0.46 -0.63 0.42 0.00 -0.72 0.00 0.00 41.12 40.66 1uty n ASP 16 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1uty h VAL 17 N 3.51 0.83 0.00 5.18 2.07 -1.89 0.33 116.25 126.29 1uty h VAL 17 Ca 0.18 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1uty h VAL 17 Cb 0.84 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1uty h VAL 17 CO 0.52 0.11 0.00 0.41 0.02 0.00 0.00 177.57 178.63 1uty n THR 18 N -4.52 0.63 -2.24 2.57 -1.04 -1.26 -4.92 114.28 103.50 1uty n THR 18 Ca 0.16 0.02 -0.18 0.00 -2.04 0.00 0.00 64.05 62.01 1uty n THR 18 Cb 0.48 -0.82 -0.02 0.00 -1.82 0.00 0.00 70.33 68.14 1uty n THR 18 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1uty n ALA 19 N -1.68 -0.50 0.13 2.41 0.00 0.10 -4.90 120.51 116.08 1uty n ALA 19 Ca 0.04 0.17 0.05 0.00 0.00 0.00 0.00 53.44 53.70 1uty n ALA 19 Cb 0.30 -1.95 0.03 0.00 0.00 0.00 0.00 19.45 17.83 1uty n ALA 19 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1uty h LYS 20 N 0.00 0.00 -6.81 0.00 1.57 -1.89 -3.35 116.57 106.09 1uty h LYS 20 Ca -0.42 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 57.88 1uty h LYS 20 Cb 1.30 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.64 1uty h LYS 20 CO 0.51 0.30 0.01 0.95 -0.57 0.00 0.00 179.45 180.65 1uty s THR 21 N -3.05 4.59 0.28 -0.16 -4.23 -1.26 -3.68 115.64 108.13 1uty s THR 21 Ca 0.03 -0.13 -0.01 0.00 -1.18 0.00 0.00 61.69 60.40 1uty s THR 21 Cb 0.07 -3.73 0.28 0.00 1.34 0.00 0.00 72.50 70.46 1uty s THR 21 CO 0.75 -0.62 1.88 0.25 -0.54 0.00 0.00 174.62 176.34 1uty h LEU 22 N 0.33 0.99 -0.03 4.79 5.85 -0.91 -1.49 115.31 124.84 1uty h LEU 22 Ca -0.47 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.30 1uty h LEU 22 Cb 1.23 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.01 1uty h LEU 22 CO 0.61 0.62 -0.27 0.00 -0.34 0.00 0.00 178.44 179.05 1uty h GLY 24 N -0.40 1.18 1.09 0.00 0.00 -1.69 -1.02 103.07 102.24 1uty h GLY 24 Ca 0.07 -0.55 -0.12 0.00 0.00 0.00 0.00 47.33 46.74 1uty h GLY 24 CO -0.26 0.52 -0.12 0.00 0.00 0.00 0.00 176.54 176.68 1uty h ALA 25 N 1.22 0.73 -0.01 3.60 0.00 -1.07 0.19 119.26 123.92 1uty h ALA 25 Ca 0.28 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1uty h ALA 25 Cb 0.05 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 1uty h ALA 25 CO -0.04 0.66 -0.40 0.82 0.00 0.00 0.00 179.25 180.29 1uty h ILE 26 N 0.89 0.19 -0.26 0.00 2.04 -0.30 -1.92 117.51 118.14 1uty h ILE 26 Ca 0.13 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.99 1uty h ILE 26 Cb 0.70 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1uty h ILE 26 CO 0.05 0.00 0.16 0.00 0.00 0.00 0.00 178.15 178.36 1uty h ALA 27 N 0.05 0.33 -0.64 1.87 0.00 -0.95 -2.52 119.26 117.39 1uty h ALA 27 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1uty h ALA 27 Cb 0.63 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1uty h ALA 27 CO -0.31 -0.16 0.40 1.57 0.00 0.00 0.00 179.25 180.74 1uty h LYS 28 N 0.33 0.87 0.00 0.00 -0.00 -0.58 0.59 116.57 117.78 1uty h LYS 28 Ca 0.09 -0.07 -0.01 0.00 -0.00 0.00 0.00 60.65 60.66 1uty h LYS 28 Cb 0.02 -0.19 -0.00 0.00 -0.00 0.00 0.00 32.23 32.06 1uty h LYS 28 CO -0.02 0.61 -0.05 -0.07 -0.00 0.00 0.00 179.45 179.92 1uty h LEU 29 N 0.87 0.00 -2.89 7.07 3.38 -1.20 -1.29 115.31 121.25 1uty h LEU 29 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1uty h LEU 29 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1uty h LEU 29 CO -0.05 0.05 0.00 -0.24 0.09 0.00 0.00 178.44 178.29 1uty n SER 30 N -3.17 4.36 -3.97 -0.43 2.88 -0.89 -4.96 113.62 107.44 1uty n SER 30 Ca 0.00 -2.24 -0.31 0.00 -1.33 0.00 0.00 58.87 54.99 1uty n SER 30 Cb 0.33 -0.54 0.02 0.00 -0.75 0.00 0.00 64.21 63.27 1uty n SER 30 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1uty n SER 31 N 1.35 -4.28 -4.31 -3.46 7.64 -0.49 -4.99 113.62 105.09 1uty n SER 31 Ca 0.25 -0.83 -0.25 0.00 1.01 0.00 0.00 58.87 59.05 1uty n SER 31 Cb 0.76 -3.65 -0.13 0.00 -1.01 0.00 0.00 64.21 60.19 1uty n SER 31 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1uty s GLN 32 N -6.66 1.19 0.15 1.43 -1.52 0.13 -5.02 119.66 109.36 1uty s GLN 32 Ca 0.64 -1.22 -0.02 0.00 -1.95 0.00 0.00 55.36 52.81 1uty s GLN 32 Cb -0.33 -1.51 -0.04 0.00 -0.22 0.00 0.00 33.01 30.91 1uty s GLN 32 CO 0.85 0.35 1.35 -1.00 -0.25 0.00 0.00 175.29 176.59 1uty h PRO 33 N 4.00 0.37 -6.36 2.91 0.13 -1.82 -3.33 132.00 127.90 1uty h PRO 33 Ca -0.47 -0.38 -0.61 0.00 -0.87 0.00 0.00 66.00 63.68 1uty h PRO 33 Cb 1.18 0.10 -0.12 0.00 0.13 0.00 0.00 31.00 32.29 1uty h PRO 33 CO 0.40 1.05 -0.68 0.71 -0.23 0.00 0.00 178.00 179.24 1uty s TYR 34 N -3.34 2.73 -0.28 1.56 2.02 -0.96 -4.46 117.35 114.61 1uty s TYR 34 Ca -0.05 -0.19 -0.03 0.00 -0.37 0.00 0.00 57.07 56.43 1uty s TYR 34 Cb 0.09 -1.31 0.03 0.00 -0.40 0.00 0.00 41.96 40.38 1uty s TYR 34 CO 0.85 0.53 -0.01 0.00 -1.57 0.00 0.00 175.55 175.35 1uty s GLN 36 N 1.32 4.42 -0.29 0.00 0.74 0.24 -1.31 119.66 124.78 1uty s GLN 36 Ca -0.02 1.70 -0.05 0.00 0.05 0.00 0.00 55.36 57.04 1uty s GLN 36 Cb -0.18 -3.42 0.02 0.00 1.10 0.00 0.00 33.01 30.53 1uty s GLN 36 CO -0.02 -0.29 0.05 0.42 -0.55 0.00 0.00 175.29 174.90 1uty s ILE 37 N 1.40 3.59 -0.23 -2.34 1.01 0.15 -1.70 121.20 123.08 1uty s ILE 37 Ca 0.57 -0.92 -0.08 0.00 0.00 0.00 0.00 60.65 60.22 1uty s ILE 37 Cb -0.27 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 1uty s ILE 37 CO 0.27 0.04 0.10 -0.75 0.00 0.00 0.00 174.94 174.60 1uty s LYS 38 N 1.42 3.88 -0.11 2.79 2.20 0.20 -0.74 119.74 129.37 1uty s LYS 38 Ca 0.00 -0.37 0.02 0.00 -0.36 0.00 0.00 55.97 55.26 1uty s LYS 38 Cb -0.18 -3.38 -0.01 0.00 -1.51 0.00 0.00 37.83 32.75 1uty s LYS 38 CO 0.01 0.00 -0.19 0.42 -0.36 0.00 0.00 175.35 175.23 1uty s ILE 39 N 1.15 2.50 -3.90 5.43 1.01 -0.29 -1.82 121.20 125.28 1uty s ILE 39 Ca 0.05 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.84 1uty s ILE 39 Cb -0.14 -2.00 0.00 0.00 0.01 0.00 0.00 42.46 40.33 1uty s ILE 39 CO 0.04 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.14 1uty n GLY 40 N 3.49 -0.50 0.23 6.18 0.00 -1.26 -0.58 105.19 112.75 1uty n GLY 40 Ca -0.19 -0.70 0.04 0.00 0.00 0.00 0.00 46.02 45.18 1uty n GLY 40 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1uty h ARG 41 N 0.00 0.09 -5.19 1.61 2.43 -1.97 -3.38 114.38 107.96 1uty h ARG 41 Ca 0.00 -0.02 -0.67 0.00 -0.81 0.00 0.00 59.98 58.48 1uty h ARG 41 Cb 0.00 -0.01 -0.33 0.00 -0.42 0.00 0.00 29.97 29.21 1uty h ARG 41 CO 0.00 0.26 -0.85 0.08 -1.51 0.00 0.00 179.97 177.95 1uty s VAL 42 N -4.65 2.22 -0.02 0.20 1.01 -1.26 -5.12 120.40 112.78 1uty s VAL 42 Ca -0.04 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 1uty s VAL 42 Cb 0.16 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1uty s VAL 42 CO 0.71 0.54 0.19 -0.69 0.00 0.00 0.00 175.10 175.85 1uty s VAL 43 N 0.83 5.42 -0.06 2.92 1.01 -1.26 -4.40 120.40 124.86 1uty s VAL 43 Ca -0.06 -0.07 -0.10 0.00 0.00 0.00 0.00 61.98 61.75 1uty s VAL 43 Cb -0.15 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.72 1uty s VAL 43 CO -0.02 0.36 0.25 0.00 0.00 0.00 0.00 175.10 175.69 1uty s ALA 44 N -1.29 -0.61 -0.18 5.51 0.00 -0.76 -4.94 121.76 119.49 1uty s ALA 44 Ca 0.26 0.47 -0.01 0.00 0.00 0.00 0.00 51.96 52.68 1uty s ALA 44 Cb -0.13 -0.21 0.05 0.00 0.00 0.00 0.00 23.12 22.83 1uty s ALA 44 CO 0.17 -0.17 -0.03 -0.06 0.00 0.00 0.00 175.76 175.67 1uty s PHE 45 N -0.50 1.58 -0.22 0.00 0.08 -1.26 -0.63 117.98 117.04 1uty s PHE 45 Ca -0.06 -1.08 -0.13 0.00 0.12 0.00 0.00 56.93 55.79 1uty s PHE 45 Cb -0.04 -1.26 0.07 0.00 -0.57 0.00 0.00 43.02 41.23 1uty s PHE 45 CO 0.01 -0.62 0.54 -1.59 -0.10 0.00 0.00 175.22 173.47 1uty s LYS 46 N 1.67 0.55 0.15 0.44 -2.85 -0.69 -4.97 119.74 114.04 1uty s LYS 46 Ca -0.00 1.00 -0.31 0.00 -1.00 0.00 0.00 55.97 55.65 1uty s LYS 46 Cb -0.16 0.06 -0.09 0.00 -2.06 0.00 0.00 37.83 35.58 1uty s LYS 46 CO -0.07 -0.15 1.45 -1.25 0.10 0.00 0.00 175.35 175.43 1uty s PRO 47 N 1.50 4.28 0.09 1.78 0.04 -1.26 0.82 135.00 142.26 1uty s PRO 47 Ca -0.10 2.20 -0.02 0.00 0.04 0.00 0.00 61.00 63.12 1uty s PRO 47 Cb -0.07 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 1uty s PRO 47 CO -0.16 -0.49 0.03 0.14 0.04 0.00 0.00 177.00 176.57 1uty s VAL 48 N 0.95 0.16 -0.23 -0.36 -7.23 -0.27 -4.89 120.40 108.53 1uty s VAL 48 Ca 0.66 -1.79 0.18 0.00 -1.81 0.00 0.00 61.98 59.21 1uty s VAL 48 Cb -0.40 -1.74 0.09 0.00 0.56 0.00 0.00 36.38 34.89 1uty s VAL 48 CO 0.32 -0.73 1.33 0.07 -0.31 0.00 0.00 175.10 175.79 1uty h LYS 49 N 2.98 0.00 -2.95 4.82 2.10 -1.96 -2.55 116.57 119.02 1uty h LYS 49 Ca -0.34 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.23 1uty h LYS 49 Cb 1.17 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 32.33 1uty h LYS 49 CO 0.62 0.29 -0.08 0.54 -2.00 0.00 0.00 179.45 178.82 1uty s ASN 50 N -6.16 -0.32 0.83 7.07 4.22 -1.26 -4.75 114.94 114.57 1uty s ASN 50 Ca 0.03 0.06 -0.11 0.00 -2.14 0.00 0.00 52.86 50.70 1uty s ASN 50 Cb 0.07 0.44 0.09 0.00 1.28 0.00 0.00 41.25 43.13 1uty s ASN 50 CO 0.74 -0.66 1.09 -2.16 -2.04 0.00 0.00 177.10 174.07 1uty s PRO 51 N -2.37 1.77 0.25 3.55 0.04 -1.26 -5.05 135.00 131.93 1uty s PRO 51 Ca -0.06 0.86 0.05 0.00 0.04 0.00 0.00 61.00 61.89 1uty s PRO 51 Cb -0.01 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 1uty s PRO 51 CO -0.02 -1.90 0.35 -1.21 0.04 0.00 0.00 177.00 174.27 1uty s GLU 52 N -4.99 3.33 0.19 4.56 2.02 -1.26 -4.74 118.70 117.81 1uty s GLU 52 Ca 0.62 -0.84 -0.32 0.00 0.02 0.00 0.00 54.97 54.46 1uty s GLU 52 Cb -0.17 -2.83 -0.16 0.00 0.10 0.00 0.00 34.13 31.07 1uty s GLU 52 CO 0.56 0.38 1.04 -2.30 0.02 0.00 0.00 175.26 174.96 1uty n PRO 53 N -1.41 0.97 -0.85 0.39 -0.02 -1.26 -0.69 135.00 132.13 1uty n PRO 53 Ca -0.08 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1uty n PRO 53 Cb 0.57 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 1uty n PRO 53 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1uty n LYS 54 N 1.42 -0.36 -2.29 -0.52 4.76 0.64 -4.99 118.16 116.82 1uty n LYS 54 Ca 0.15 0.09 -0.33 0.00 -2.87 0.00 0.00 58.31 55.34 1uty n LYS 54 Cb 0.25 -3.63 -0.01 0.00 -1.84 0.00 0.00 35.03 29.80 1uty n LYS 54 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1uty s GLY 55 N -2.00 2.34 -0.13 0.72 0.00 0.13 -4.77 107.32 103.61 1uty s GLY 55 Ca 0.00 0.52 -0.15 0.00 0.00 0.00 0.00 44.72 45.09 1uty s GLY 55 CO 0.00 0.84 0.36 -0.19 0.00 0.00 0.00 173.10 174.11 1uty s TYR 56 N -2.19 3.51 -0.29 1.90 1.51 -0.11 -1.26 117.35 120.42 1uty s TYR 56 Ca 0.66 0.73 -0.11 0.00 -1.01 0.00 0.00 57.07 57.34 1uty s TYR 56 Cb -0.17 -2.39 -0.03 0.00 -0.11 0.00 0.00 41.96 39.26 1uty s TYR 56 CO 0.28 0.28 0.18 0.08 -1.11 0.00 0.00 175.55 175.26 1uty s VAL 57 N 0.29 5.04 -0.52 0.71 1.01 0.54 0.76 120.40 128.22 1uty s VAL 57 Ca 0.20 -0.07 -0.09 0.00 0.00 0.00 0.00 61.98 62.02 1uty s VAL 57 Cb -0.14 -3.47 0.13 0.00 0.00 0.00 0.00 36.38 32.90 1uty s VAL 57 CO 0.07 0.17 0.39 -0.22 0.00 0.00 0.00 175.10 175.52 1uty s LEU 58 N 1.71 5.75 -0.36 3.92 2.96 -0.19 -0.19 118.68 132.28 1uty s LEU 58 Ca 0.06 -2.08 -0.26 0.00 -0.22 0.00 0.00 54.13 51.63 1uty s LEU 58 Cb -0.16 -2.01 0.01 0.00 0.50 0.00 0.00 46.19 44.53 1uty s LEU 58 CO 0.09 -0.65 0.94 0.21 -1.32 0.00 0.00 176.35 175.62 1uty s ASN 59 N 2.43 6.71 0.15 3.68 2.47 -0.07 -0.75 114.94 129.56 1uty s ASN 59 Ca 0.08 0.64 0.08 0.00 0.42 0.00 0.00 52.86 54.07 1uty s ASN 59 Cb -0.24 -2.47 -0.04 0.00 -1.45 0.00 0.00 41.25 37.05 1uty s ASN 59 CO -0.02 -0.85 -0.17 0.68 -3.72 0.00 0.00 177.10 173.02 1uty s VAL 60 N 3.48 1.67 -2.40 -5.21 -7.23 -0.28 -0.31 120.40 110.11 1uty s VAL 60 Ca 0.39 -1.85 0.26 0.00 -1.81 0.00 0.00 61.98 58.97 1uty s VAL 60 Cb -0.12 -1.74 0.31 0.00 0.56 0.00 0.00 36.38 35.39 1uty s VAL 60 CO 0.18 -0.34 1.48 -0.81 -0.31 0.00 0.00 175.10 175.30 1uty n PRO 61 N 0.39 1.60 -3.16 4.82 -0.04 -1.26 -4.42 135.00 132.92 1uty n PRO 61 Ca -0.14 -1.13 0.00 0.00 -0.04 0.00 0.00 63.50 62.19 1uty n PRO 61 Cb 0.57 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1uty n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uty n GLY 62 N 1.29 -0.21 3.61 0.55 0.00 -1.26 -4.85 105.19 104.32 1uty n GLY 62 Ca 0.15 -1.28 -0.38 0.00 0.00 0.00 0.00 46.02 44.50 1uty n GLY 62 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1uty n PRO 63 N 0.00 0.95 0.00 1.61 -0.02 -1.26 -4.85 135.00 131.43 1uty n PRO 63 Ca 0.00 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1uty n PRO 63 Cb 0.00 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 1uty n PRO 63 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uty n GLY 64 N 1.29 1.67 3.67 -1.23 0.00 -0.32 -4.84 105.19 105.44 1uty n GLY 64 Ca 0.13 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 1uty n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uty s ALA 65 N -2.00 3.52 -0.05 4.61 0.00 0.80 -1.39 121.76 127.26 1uty s ALA 65 Ca 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 51.96 51.67 1uty s ALA 65 Cb 0.00 -2.84 0.01 0.00 0.00 0.00 0.00 23.12 20.29 1uty s ALA 65 CO 0.00 -0.39 -0.10 0.71 0.00 0.00 0.00 175.76 175.98 1uty s TYR 66 N 1.52 1.16 -0.23 0.00 2.02 0.08 -1.84 117.35 120.06 1uty s TYR 66 Ca 0.26 -0.36 0.01 0.00 -0.37 0.00 0.00 57.07 56.60 1uty s TYR 66 Cb -0.16 -0.86 0.04 0.00 -0.40 0.00 0.00 41.96 40.58 1uty s TYR 66 CO 0.10 -0.19 -0.12 0.50 -1.57 0.00 0.00 175.55 174.28 1uty s ARG 67 N 0.51 2.67 -0.23 -0.62 3.52 0.25 -0.15 118.95 124.91 1uty s ARG 67 Ca -0.10 -1.06 -0.24 0.00 -0.13 0.00 0.00 55.73 54.20 1uty s ARG 67 Cb -0.13 -2.84 -0.01 0.00 -1.56 0.00 0.00 34.95 30.41 1uty s ARG 67 CO 0.02 -0.41 0.79 0.42 -0.81 0.00 0.00 175.30 175.31 1uty s ILE 68 N 1.24 4.88 -0.47 4.11 1.01 0.11 -1.33 121.20 130.74 1uty s ILE 68 Ca -0.02 1.50 -0.04 0.00 0.00 0.00 0.00 60.65 62.10 1uty s ILE 68 Cb -0.17 -4.09 0.12 0.00 0.01 0.00 0.00 42.46 38.34 1uty s ILE 68 CO -0.07 -0.03 0.28 -1.10 0.00 0.00 0.00 174.94 174.02 1uty s GLN 69 N 2.61 2.19 -0.78 2.79 -0.21 -1.26 -1.02 119.66 123.99 1uty s GLN 69 Ca 0.34 -1.99 0.03 0.00 0.02 0.00 0.00 55.36 53.76 1uty s GLN 69 Cb -0.16 -3.66 0.29 0.00 1.00 0.00 0.00 33.01 30.48 1uty s GLN 69 CO 0.09 -1.11 1.07 -3.47 -2.12 0.00 0.00 175.29 169.75 1uty n ASP 70 N 4.36 4.92 0.00 5.90 2.03 0.14 -4.75 116.55 129.15 1uty n ASP 70 Ca -0.00 -3.51 0.00 0.00 0.52 0.00 0.00 54.79 51.80 1uty n ASP 70 Cb 0.40 -0.85 0.00 0.00 -0.72 0.00 0.00 41.12 39.96 1uty n ASP 70 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1uty n GLY 71 N 0.68 2.57 0.00 0.27 0.00 -1.26 -2.36 105.19 105.09 1uty n GLY 71 Ca 0.31 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1uty n GLY 71 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1uty n GLN 72 N 11.14 0.02 -2.35 1.61 1.13 -1.26 -4.69 117.38 122.99 1uty n GLN 72 Ca 0.00 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.65 1uty n GLN 72 Cb 0.00 -1.51 -0.03 0.00 0.11 0.00 0.00 30.24 28.81 1uty n GLN 72 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1uty s ASP 73 N -3.09 5.97 -0.22 1.08 1.11 -0.99 -4.99 116.67 115.53 1uty s ASP 73 Ca 0.10 0.17 -0.00 0.00 0.18 0.00 0.00 52.55 53.00 1uty s ASP 73 Cb 0.17 -2.55 0.03 0.00 1.07 0.00 0.00 42.92 41.64 1uty s ASP 73 CO 0.71 -1.86 -0.12 -0.63 1.18 0.00 0.00 175.17 174.45 1uty s ILE 74 N 6.57 2.50 -0.19 0.77 1.01 -1.26 0.26 121.20 130.86 1uty s ILE 74 Ca 0.52 -1.06 -0.02 0.00 0.00 0.00 0.00 60.65 60.10 1uty s ILE 74 Cb -0.11 -2.22 -0.00 0.00 0.01 0.00 0.00 42.46 40.14 1uty s ILE 74 CO 0.22 0.30 -0.11 -0.63 0.00 0.00 0.00 174.94 174.72 1uty s ILE 75 N 1.29 2.92 -0.17 2.92 1.01 -0.19 -4.27 121.20 124.72 1uty s ILE 75 Ca 0.01 -0.66 -0.01 0.00 0.00 0.00 0.00 60.65 59.98 1uty s ILE 75 Cb -0.16 -2.28 -0.01 0.00 0.01 0.00 0.00 42.46 40.02 1uty s ILE 75 CO -0.08 0.48 -0.11 -0.44 0.00 0.00 0.00 174.94 174.80 1uty s SER 76 N 1.18 4.02 -0.04 3.58 0.01 -0.01 0.06 113.70 122.50 1uty s SER 76 Ca 0.02 -0.38 0.02 0.00 1.31 0.00 0.00 55.95 56.92 1uty s SER 76 Cb -0.14 -1.64 0.01 0.00 0.21 0.00 0.00 66.02 64.45 1uty s SER 76 CO -0.04 0.09 -0.10 -0.76 0.41 0.00 0.00 173.24 172.84 1uty s LEU 77 N 0.83 1.71 -0.28 2.44 1.02 0.79 -1.64 118.68 123.56 1uty s LEU 77 Ca -0.03 -0.21 -0.08 0.00 0.02 0.00 0.00 54.13 53.82 1uty s LEU 77 Cb -0.15 -0.62 -0.02 0.00 0.02 0.00 0.00 46.19 45.42 1uty s LEU 77 CO 0.01 0.05 0.11 -0.04 0.02 0.00 0.00 176.35 176.49 1uty s MET 78 N 0.36 3.52 -0.28 1.70 -1.94 0.80 -0.74 119.30 122.72 1uty s MET 78 Ca -0.06 -0.58 -0.03 0.00 -1.71 0.00 0.00 55.69 53.31 1uty s MET 78 Cb -0.11 -3.43 0.03 0.00 2.01 0.00 0.00 34.83 33.33 1uty s MET 78 CO 0.01 -0.29 -0.00 -0.51 -0.01 0.00 0.00 175.02 174.22 1uty s LEU 79 N 1.61 3.64 0.45 -0.03 1.43 -0.49 -1.87 118.68 123.42 1uty s LEU 79 Ca 0.05 -1.01 0.05 0.00 -1.03 0.00 0.00 54.13 52.20 1uty s LEU 79 Cb -0.16 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 1uty s LEU 79 CO 0.05 -0.20 0.08 0.42 0.23 0.00 0.00 176.35 176.93 1uty s THR 80 N 1.33 1.84 -0.25 5.49 -4.23 -0.64 -1.17 115.64 118.02 1uty s THR 80 Ca -0.02 -1.88 0.24 0.00 -1.18 0.00 0.00 61.69 58.85 1uty s THR 80 Cb -0.18 -2.72 0.25 0.00 1.34 0.00 0.00 72.50 71.18 1uty s THR 80 CO -0.01 0.00 1.73 -0.65 -0.54 0.00 0.00 174.62 175.15 1uty h PRO 81 N 1.50 0.00 -0.00 3.99 0.11 -1.89 0.99 132.00 136.70 1uty h PRO 81 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1uty h PRO 81 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1uty h PRO 81 CO 0.75 0.00 -0.03 0.72 -0.21 0.00 0.00 178.00 179.23 1uty n HIS 82 N -2.33 0.00 -3.61 0.65 8.25 -1.26 -3.91 115.22 113.01 1uty n HIS 82 Ca -0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 1uty n HIS 82 Cb 0.13 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.22 1uty n HIS 82 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1uty s GLY 83 N -0.47 -0.32 -0.03 -1.41 0.00 -1.24 -4.99 107.32 98.87 1uty s GLY 83 Ca 0.03 1.43 0.05 0.00 0.00 0.00 0.00 44.72 46.22 1uty s GLY 83 CO 0.05 0.44 -0.17 0.54 0.00 0.00 0.00 173.10 173.95 1uty s VAL 84 N -2.26 1.39 -0.03 1.40 0.11 -1.26 -1.62 120.40 118.14 1uty s VAL 84 Ca 0.12 -0.72 0.02 0.00 -2.93 0.00 0.00 61.98 58.47 1uty s VAL 84 Cb 0.01 -1.18 0.01 0.00 -1.53 0.00 0.00 36.38 33.69 1uty s VAL 84 CO -0.04 0.40 -0.06 -0.70 -3.33 0.00 0.00 175.10 171.37 1uty s GLU 85 N -0.13 0.76 0.08 1.54 2.12 -0.78 -5.00 118.70 117.29 1uty s GLU 85 Ca 0.00 -0.19 -0.14 0.00 0.36 0.00 0.00 54.97 54.99 1uty s GLU 85 Cb -0.10 -0.74 0.02 0.00 0.26 0.00 0.00 34.13 33.58 1uty s GLU 85 CO 0.01 0.04 0.34 0.00 -0.54 0.00 0.00 175.26 175.11 1uty s ALA 86 N 0.39 -0.75 0.01 6.30 0.00 -1.26 -0.14 121.76 126.31 1uty s ALA 86 Ca -0.05 -0.07 -0.28 0.00 0.00 0.00 0.00 51.96 51.56 1uty s ALA 86 Cb -0.09 0.49 0.08 0.00 0.00 0.00 0.00 23.12 23.60 1uty s ALA 86 CO 0.00 -0.52 0.73 -0.08 0.00 0.00 0.00 175.76 175.89 1uty s THR 87 N -3.22 0.00 -1.25 0.00 -1.32 -0.65 -5.01 115.64 104.19 1uty s THR 87 Ca -0.00 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.59 1uty s THR 87 Cb 0.01 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 70.04 1uty s THR 87 CO -0.08 0.00 0.77 0.41 -2.21 0.00 0.00 174.62 173.52 1uty n THR 88 N 0.28 0.00 -3.53 5.08 -1.04 -1.26 -0.83 114.28 112.98 1uty n THR 88 Ca -0.16 -0.44 -0.20 0.00 -2.04 0.00 0.00 64.05 61.21 1uty n THR 88 Cb 0.61 1.19 -0.03 0.00 -1.82 0.00 0.00 70.33 70.28 1uty n THR 88 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1uty s GLU 89 N -1.24 2.63 0.50 -2.82 2.56 -1.26 -4.57 118.70 114.50 1uty s GLU 89 Ca 0.11 -1.43 -0.23 0.00 0.00 0.00 0.00 54.97 53.42 1uty s GLU 89 Cb 0.09 -2.47 -0.07 0.00 2.00 0.00 0.00 34.13 33.69 1uty s GLU 89 CO 0.22 -0.14 1.39 -2.13 -0.56 0.00 0.00 175.26 174.04 1uty n ARG 90 N -1.56 1.95 -3.04 4.30 0.63 -1.26 -4.79 116.66 112.88 1uty n ARG 90 Ca 0.03 0.70 -0.15 0.00 -0.92 0.00 0.00 57.85 57.51 1uty n ARG 90 Cb 0.61 -2.59 0.00 0.00 0.45 0.00 0.00 32.46 30.93 1uty n ARG 90 CO 0.00 0.00 0.00 1.87 -2.51 0.00 0.00 177.63 176.99 1uty n TRP 91 N -0.64 -0.47 0.26 -0.14 -0.00 -1.26 -5.00 117.44 110.19 1uty n TRP 91 Ca 0.08 -3.35 0.14 0.00 -0.00 0.00 0.00 57.50 54.37 1uty n TRP 91 Cb 0.43 0.07 0.70 0.00 -0.00 0.00 0.00 31.31 32.51 1uty n TRP 91 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 177.69 178.62 1uty h GLU 92 N 2.98 0.00 -0.07 5.87 3.07 -2.02 -2.97 114.58 121.44 1uty h GLU 92 Ca 0.04 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.92 1uty h GLU 92 Cb 1.02 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.93 1uty h GLU 92 CO 0.41 0.12 0.06 0.93 -1.40 0.00 0.00 179.01 179.12 1uty h GLU 93 N 0.00 0.00 -6.33 2.33 3.07 -1.94 -3.42 114.58 108.29 1uty h GLU 93 Ca -0.00 0.00 -0.60 0.00 -0.50 0.00 0.00 59.36 58.26 1uty h GLU 93 Cb 0.44 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 28.23 1uty h GLU 93 CO 0.02 0.00 -0.66 -1.58 -1.40 0.00 0.00 179.01 175.38 1uty s TRP 94 N -4.98 2.80 0.31 4.33 0.52 -1.12 -0.22 118.94 120.57 1uty s TRP 94 Ca -0.05 -0.16 -0.18 0.00 0.02 0.00 0.00 56.10 55.73 1uty s TRP 94 Cb 0.17 -1.34 -0.09 0.00 -1.15 0.00 0.00 33.47 31.06 1uty s TRP 94 CO 0.65 0.53 0.78 0.15 0.02 0.00 0.00 176.95 179.09 1uty s LYS 95 N -3.04 4.16 0.04 4.98 1.02 0.45 -4.56 119.74 122.79 1uty s LYS 95 Ca 0.28 0.86 0.01 0.00 0.02 0.00 0.00 55.97 57.14 1uty s LYS 95 Cb -0.09 -2.56 -0.02 0.00 -0.52 0.00 0.00 37.83 34.64 1uty s LYS 95 CO 0.18 0.21 -0.06 -0.06 -0.92 0.00 0.00 175.35 174.71 1uty s PHE 96 N -1.84 0.51 -0.10 3.18 0.40 -1.26 -4.71 117.98 114.15 1uty s PHE 96 Ca 0.52 -0.56 -0.30 0.00 -0.60 0.00 0.00 56.93 55.99 1uty s PHE 96 Cb -0.13 -0.32 -0.02 0.00 0.51 0.00 0.00 43.02 43.06 1uty s PHE 96 CO 0.18 -0.14 1.20 -2.00 0.70 0.00 0.00 175.22 175.16 1uty s GLU 97 N -1.74 4.31 -0.41 0.44 2.12 -0.77 -4.84 118.70 117.82 1uty s GLU 97 Ca -0.11 1.63 -0.29 0.00 0.36 0.00 0.00 54.97 56.56 1uty s GLU 97 Cb -0.09 -3.63 0.02 0.00 0.26 0.00 0.00 34.13 30.70 1uty s GLU 97 CO -0.01 -0.53 1.11 0.20 -0.54 0.00 0.00 175.26 175.49 1uty s GLY 98 N 1.59 1.40 0.17 -1.50 0.00 -1.26 -0.58 107.32 107.14 1uty s GLY 98 Ca 0.54 -0.30 -0.06 0.00 0.00 0.00 0.00 44.72 44.90 1uty s GLY 98 CO 0.18 2.35 0.43 -1.34 0.00 0.00 0.00 173.10 174.73 1uty s VAL 99 N 4.11 5.09 0.22 1.40 -7.23 -0.44 -4.96 120.40 118.60 1uty s VAL 99 Ca 0.47 0.17 -0.31 0.00 -1.81 0.00 0.00 61.98 60.50 1uty s VAL 99 Cb -0.09 -3.62 -0.15 0.00 0.56 0.00 0.00 36.38 33.08 1uty s VAL 99 CO 0.25 0.00 1.10 -1.54 -0.31 0.00 0.00 175.10 174.60 1uty n SER 100 N 0.01 1.34 -4.01 4.85 3.41 -1.26 -4.23 113.62 113.72 1uty n SER 100 Ca -0.01 1.16 -0.31 0.00 -0.26 0.00 0.00 58.87 59.44 1uty n SER 100 Cb 0.52 -1.25 -0.16 0.00 -0.26 0.00 0.00 64.21 63.06 1uty n SER 100 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1uty s VAL 101 N -0.55 1.78 -0.22 -3.33 1.01 -1.26 -3.53 120.40 114.31 1uty s VAL 101 Ca 0.67 -1.20 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1uty s VAL 101 Cb -0.78 -1.88 0.05 0.00 0.00 0.00 0.00 36.38 33.77 1uty s VAL 101 CO 0.55 0.10 -0.09 -0.89 0.00 0.00 0.00 175.10 174.77 1uty s THR 102 N 1.31 1.72 0.57 3.92 2.01 0.26 -4.94 115.64 120.49 1uty s THR 102 Ca -0.04 -1.19 -0.21 0.00 0.31 0.00 0.00 61.69 60.57 1uty s THR 102 Cb -0.17 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 1uty s THR 102 CO -0.07 0.06 1.31 -2.16 -0.69 0.00 0.00 174.62 173.07 1uty s PRO 103 N 1.34 3.05 0.01 4.92 0.04 -1.26 -0.41 135.00 142.67 1uty s PRO 103 Ca -0.04 2.11 0.02 0.00 0.04 0.00 0.00 61.00 63.13 1uty s PRO 103 Cb -0.18 -2.14 -0.01 0.00 0.04 0.00 0.00 34.50 32.21 1uty s PRO 103 CO -0.07 -1.22 -0.06 -1.64 0.04 0.00 0.00 177.00 174.04 1uty s MET 104 N -3.04 0.49 -0.16 4.56 -1.94 0.15 -4.84 119.30 114.51 1uty s MET 104 Ca 0.74 -0.33 -0.25 0.00 -1.71 0.00 0.00 55.69 54.14 1uty s MET 104 Cb -0.38 -0.43 -0.02 0.00 2.01 0.00 0.00 34.83 36.01 1uty s MET 104 CO 0.43 0.11 0.82 0.00 -0.01 0.00 0.00 175.02 176.37 1uty s ALA 105 N -0.40 3.50 0.27 3.03 0.00 -1.26 -1.42 121.76 125.47 1uty s ALA 105 Ca -0.00 0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.01 1uty s ALA 105 Cb -0.04 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 19.82 1uty s ALA 105 CO -0.00 -0.62 0.09 0.95 0.00 0.00 0.00 175.76 176.18 1uty s THR 106 N 2.06 0.64 -0.12 0.00 -4.23 -0.11 -4.99 115.64 108.90 1uty s THR 106 Ca 0.38 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 1uty s THR 106 Cb -0.17 -2.65 -0.02 0.00 1.34 0.00 0.00 72.50 71.01 1uty s THR 106 CO 0.13 -0.01 -0.12 -0.13 -0.54 0.00 0.00 174.62 173.95 1uty s ARG 107 N -4.01 3.23 0.00 3.99 0.52 -1.26 -1.77 118.95 119.65 1uty s ARG 107 Ca 0.37 -0.66 0.02 0.00 -0.52 0.00 0.00 55.73 54.94 1uty s ARG 107 Cb 0.08 -2.62 -0.01 0.00 0.52 0.00 0.00 34.95 32.92 1uty s ARG 107 CO 0.14 0.31 -0.06 0.08 0.02 0.00 0.00 175.30 175.79 1uty s VAL 108 N 0.10 0.47 -0.37 3.52 1.01 -0.22 -4.93 120.40 119.98 1uty s VAL 108 Ca -0.05 -0.40 -0.27 0.00 0.00 0.00 0.00 61.98 61.26 1uty s VAL 108 Cb -0.15 -0.43 0.02 0.00 0.00 0.00 0.00 36.38 35.82 1uty s VAL 108 CO 0.04 0.04 0.98 -1.58 0.00 0.00 0.00 175.10 174.58 1uty s GLN 109 N -0.40 3.87 -0.13 2.72 2.00 -1.26 -0.01 119.66 126.46 1uty s GLN 109 Ca 0.00 0.68 -0.00 0.00 -2.00 0.00 0.00 55.36 54.03 1uty s GLN 109 Cb -0.04 -3.80 0.03 0.00 0.80 0.00 0.00 33.01 30.00 1uty s GLN 109 CO -0.00 -0.99 -0.07 -0.47 -0.50 0.00 0.00 175.29 173.26 1uty s TYR 110 N 3.62 1.52 -1.29 1.67 5.04 0.70 -4.80 117.35 123.81 1uty s TYR 110 Ca 0.41 -0.82 -0.14 0.00 -2.44 0.00 0.00 57.07 54.08 1uty s TYR 110 Cb -0.11 -1.25 0.01 0.00 0.35 0.00 0.00 41.96 40.95 1uty s TYR 110 CO 0.19 -0.54 0.56 0.09 -1.34 0.00 0.00 175.55 174.52 1uty n ASN 111 N 4.93 -2.68 -0.69 4.32 3.02 -1.26 -2.37 115.26 120.52 1uty n ASN 111 Ca -0.12 -1.10 -0.09 0.00 -0.03 0.00 0.00 54.58 53.24 1uty n ASN 111 Cb 0.49 -2.74 -0.04 0.00 -0.61 0.00 0.00 39.78 36.88 1uty n ASN 111 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uty n GLY 112 N -1.96 1.05 2.98 7.41 0.00 -1.26 -5.00 105.19 108.41 1uty n GLY 112 Ca -0.20 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 1uty n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uty s VAL 113 N -2.24 -0.02 -0.04 1.61 1.01 -1.00 -5.13 120.40 114.59 1uty s VAL 113 Ca 0.00 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 1uty s VAL 113 Cb 0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 36.38 36.10 1uty s VAL 113 CO 0.00 0.03 1.59 -0.04 0.00 0.00 0.00 175.10 176.68 1uty s MET 114 N 0.61 4.20 0.09 2.72 -1.94 -1.26 -0.22 119.30 123.51 1uty s MET 114 Ca -0.04 2.13 0.05 0.00 -1.71 0.00 0.00 55.69 56.12 1uty s MET 114 Cb -0.06 -3.87 -0.03 0.00 2.01 0.00 0.00 34.83 32.88 1uty s MET 114 CO -0.03 -0.79 -0.14 0.54 -0.01 0.00 0.00 175.02 174.59 1uty s VAL 115 N 3.61 1.21 -0.06 -6.03 0.11 0.99 -4.94 120.40 115.29 1uty s VAL 115 Ca 0.71 -1.49 -0.29 0.00 -2.93 0.00 0.00 61.98 57.97 1uty s VAL 115 Cb -0.33 -1.28 -0.02 0.00 -1.53 0.00 0.00 36.38 33.22 1uty s VAL 115 CO 0.28 -0.31 0.96 -1.81 -3.33 0.00 0.00 175.10 170.89 1uty s ASP 116 N -2.06 7.26 -0.07 3.54 1.01 -1.26 -1.06 116.67 124.03 1uty s ASP 116 Ca 0.03 1.53 -0.14 0.00 0.71 0.00 0.00 52.55 54.68 1uty s ASP 116 Cb -0.08 -2.54 0.03 0.00 1.01 0.00 0.00 42.92 41.34 1uty s ASP 116 CO 0.02 -0.34 0.34 0.00 0.21 0.00 0.00 175.17 175.41 1uty s ALA 117 N 1.50 -0.85 0.01 5.23 0.00 -0.73 -4.97 121.76 121.95 1uty s ALA 117 Ca 0.48 0.67 -0.23 0.00 0.00 0.00 0.00 51.96 52.88 1uty s ALA 117 Cb -0.19 -0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.64 1uty s ALA 117 CO 0.22 -0.22 0.69 -2.00 0.00 0.00 0.00 175.76 174.44 1uty s GLU 118 N -0.60 4.41 0.08 0.00 2.12 -1.26 -0.93 118.70 122.52 1uty s GLU 118 Ca -0.07 0.90 0.08 0.00 0.36 0.00 0.00 54.97 56.24 1uty s GLU 118 Cb -0.04 -3.37 -0.03 0.00 0.26 0.00 0.00 34.13 30.95 1uty s GLU 118 CO 0.03 0.28 -0.21 0.42 -0.54 0.00 0.00 175.26 175.23 1uty s ILE 119 N 0.03 1.75 -0.40 -3.70 -1.09 -0.51 -0.26 121.20 117.02 1uty s ILE 119 Ca 0.35 -1.41 -0.13 0.00 -2.23 0.00 0.00 60.65 57.23 1uty s ILE 119 Cb -0.19 -1.56 0.03 0.00 -1.58 0.00 0.00 42.46 39.16 1uty s ILE 119 CO 0.20 0.07 0.27 -0.54 -1.23 0.00 0.00 174.94 173.71 1uty s LYS 120 N -1.60 2.89 -0.13 2.79 -0.14 -0.39 0.29 119.74 123.46 1uty s LYS 120 Ca 0.08 -1.09 -0.27 0.00 -1.36 0.00 0.00 55.97 53.33 1uty s LYS 120 Cb -0.10 -3.88 -0.02 0.00 -1.68 0.00 0.00 37.83 32.16 1uty s LYS 120 CO 0.03 -0.76 0.88 -0.47 -0.76 0.00 0.00 175.35 174.27 1uty s TYR 121 N 1.61 3.48 -0.15 3.18 5.04 0.45 -0.34 117.35 130.62 1uty s TYR 121 Ca 0.04 1.38 -0.00 0.00 -2.44 0.00 0.00 57.07 56.04 1uty s TYR 121 Cb -0.20 -3.05 0.04 0.00 0.35 0.00 0.00 41.96 39.10 1uty s TYR 121 CO 0.08 -0.18 -0.07 0.00 -1.34 0.00 0.00 175.55 174.04 1uty s LYS 123 N 1.62 3.30 0.04 0.00 2.20 -1.23 -0.89 119.74 124.78 1uty s LYS 123 Ca 0.02 -0.74 -0.12 0.00 -0.36 0.00 0.00 55.97 54.78 1uty s LYS 123 Cb -0.14 -3.51 -0.06 0.00 -1.51 0.00 0.00 37.83 32.61 1uty s LYS 123 CO -0.08 -0.41 0.40 0.20 -0.36 0.00 0.00 175.35 175.10 1uty s GLY 124 N 1.59 2.40 -0.02 5.54 0.00 0.57 -4.20 107.32 113.20 1uty s GLY 124 Ca 0.04 -0.31 0.19 0.00 0.00 0.00 0.00 44.72 44.64 1uty s GLY 124 CO 0.05 -0.03 0.55 1.03 0.00 0.00 0.00 173.10 174.71 1uty n MET 125 N 1.34 0.64 -2.50 2.90 2.81 -1.26 -4.31 117.12 116.74 1uty n MET 125 Ca -0.11 -0.12 -0.05 0.00 -1.81 0.00 0.00 57.70 55.61 1uty n MET 125 Cb 0.52 -1.44 0.01 0.00 -0.71 0.00 0.00 33.22 31.60 1uty n MET 125 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1uty n GLY 126 N 1.41 0.46 0.20 3.03 0.00 -1.26 -4.81 105.19 104.21 1uty n GLY 126 Ca -0.01 -0.56 0.13 0.00 0.00 0.00 0.00 46.02 45.58 1uty n GLY 126 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1uty n ILE 127 N -3.41 0.00 -3.96 -0.61 -5.35 -1.26 -4.74 119.36 100.03 1uty n ILE 127 Ca -0.02 -0.10 -0.29 0.00 -0.27 0.00 0.00 62.75 62.06 1uty n ILE 127 Cb 0.52 0.27 -0.16 0.00 -1.74 0.00 0.00 39.64 38.53 1uty n ILE 127 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1uty s VAL 128 N -2.54 1.43 0.55 7.28 1.01 -1.26 -5.02 120.40 121.85 1uty s VAL 128 Ca 0.24 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 61.22 1uty s VAL 128 Cb 0.19 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 1uty s VAL 128 CO 0.52 0.22 1.26 -1.10 0.00 0.00 0.00 175.10 176.00 1uty s GLN 129 N 1.50 3.19 0.49 2.72 -1.52 -1.26 -0.14 119.66 124.64 1uty s GLN 129 Ca 0.01 1.99 -0.23 0.00 -1.95 0.00 0.00 55.36 55.18 1uty s GLN 129 Cb -0.15 -2.16 -0.08 0.00 -0.22 0.00 0.00 33.01 30.40 1uty s GLN 129 CO -0.08 -1.08 1.20 -2.30 -0.25 0.00 0.00 175.29 172.78 1uty n PRO 130 N -1.14 1.59 -3.77 2.91 -0.02 -1.26 -3.69 135.00 129.63 1uty n PRO 130 Ca 0.11 0.58 -0.27 0.00 -2.02 0.00 0.00 63.50 61.90 1uty n PRO 130 Cb 0.47 -2.35 0.05 0.00 -0.02 0.00 0.00 33.50 31.65 1uty n PRO 130 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1uty n TYR 131 N -0.76 -2.47 -3.11 6.00 4.02 -1.26 -4.97 117.16 114.61 1uty n TYR 131 Ca 0.09 0.94 -0.41 0.00 -0.01 0.00 0.00 57.90 58.52 1uty n TYR 131 Cb 0.42 -4.43 -0.06 0.00 -0.02 0.00 0.00 39.34 35.25 1uty n TYR 131 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 176.86 174.21 1uty s MET 132 N -6.41 4.08 0.28 -0.72 -1.94 -1.24 -5.03 119.30 108.33 1uty s MET 132 Ca 0.55 0.52 -0.29 0.00 -1.71 0.00 0.00 55.69 54.76 1uty s MET 132 Cb -0.27 -3.66 -0.10 0.00 2.01 0.00 0.00 34.83 32.81 1uty s MET 132 CO 0.79 -0.43 1.37 1.03 -0.01 0.00 0.00 175.02 177.77 1uty s ARG 133 N 2.52 4.31 -1.25 2.03 0.52 -1.26 -0.41 118.95 125.40 1uty s ARG 133 Ca 0.26 2.26 -0.05 0.00 -0.52 0.00 0.00 55.73 57.68 1uty s ARG 133 Cb -0.15 -3.09 0.12 0.00 0.52 0.00 0.00 34.95 32.34 1uty s ARG 133 CO 0.09 -0.31 2.39 -1.71 0.02 0.00 0.00 175.30 175.78 1uty n ASN 134 N 1.63 7.93 -2.51 0.23 5.15 0.69 -4.60 115.26 123.78 1uty n ASN 134 Ca 0.04 -3.17 -0.10 0.00 -0.60 0.00 0.00 54.58 50.75 1uty n ASN 134 Cb 0.41 -1.35 -0.02 0.00 -0.53 0.00 0.00 39.78 38.30 1uty n ASN 134 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1uty n ASP 135 N 1.60 -1.18 -4.34 1.20 5.68 -1.26 -4.93 116.55 113.31 1uty n ASP 135 Ca 0.61 -2.42 -0.35 0.00 -0.50 0.00 0.00 54.79 52.13 1uty n ASP 135 Cb 0.27 2.15 -0.14 0.00 -1.14 0.00 0.00 41.12 42.26 1uty n ASP 135 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 1uty s PHE 136 N -3.48 3.00 0.79 2.11 0.08 -1.26 -5.08 117.98 114.14 1uty s PHE 136 Ca 0.20 -0.82 -0.12 0.00 0.12 0.00 0.00 56.93 56.32 1uty s PHE 136 Cb -0.01 -2.15 0.07 0.00 -0.57 0.00 0.00 43.02 40.36 1uty s PHE 136 CO 0.15 -0.50 1.13 0.34 -0.10 0.00 0.00 175.22 176.24 1uty s ASP 137 N 1.51 4.06 0.67 1.36 -1.08 -1.26 -4.84 116.67 117.08 1uty s ASP 137 Ca 0.06 2.06 0.29 0.00 -0.52 0.00 0.00 52.55 54.44 1uty s ASP 137 Cb -0.15 -2.55 1.55 0.00 -1.46 0.00 0.00 42.92 40.32 1uty s ASP 137 CO -0.01 -2.34 1.88 0.03 0.52 0.00 0.00 175.17 175.24 1uty h ARG 138 N -1.02 0.00 0.00 4.34 3.08 -1.99 -2.31 114.38 116.48 1uty h ARG 138 Ca -0.45 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.45 1uty h ARG 138 Cb 1.26 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 1uty h ARG 138 CO 0.48 0.00 -0.86 -0.91 -1.07 0.00 0.00 179.97 177.61 1uty h ASN 139 N 0.00 0.00 -0.08 7.04 2.35 -2.04 -3.39 115.58 119.46 1uty h ASN 139 Ca 0.00 -0.56 0.00 0.00 -0.55 0.00 0.00 56.30 55.20 1uty h ASN 139 Cb 0.74 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.11 1uty h ASN 139 CO -0.00 1.28 0.00 -1.84 -1.65 0.00 0.00 177.43 175.22 1uty n GLU 140 N -4.50 1.20 -1.98 0.81 0.28 -0.88 -4.86 120.64 110.70 1uty n GLU 140 Ca -0.24 -0.30 -0.42 0.00 -0.16 0.00 0.00 57.16 56.04 1uty n GLU 140 Cb 0.57 -1.07 -0.03 0.00 1.43 0.00 0.00 31.44 32.35 1uty n GLU 140 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 177.13 178.38 1uty s MET 141 N -1.88 4.03 0.39 3.44 1.75 -1.14 -4.88 119.30 121.01 1uty s MET 141 Ca 0.06 2.09 -0.26 0.00 -1.25 0.00 0.00 55.69 56.32 1uty s MET 141 Cb 0.03 -4.03 -0.09 0.00 2.84 0.00 0.00 34.83 33.58 1uty s MET 141 CO 0.04 -1.03 1.25 -2.14 -0.65 0.00 0.00 175.02 172.48 1uty s PRO 142 N 4.35 4.07 -0.21 4.11 0.02 -1.26 -4.98 135.00 141.10 1uty s PRO 142 Ca 0.76 2.04 -0.18 0.00 0.02 0.00 0.00 61.00 63.63 1uty s PRO 142 Cb -0.32 -2.78 -0.03 0.00 0.02 0.00 0.00 34.50 31.39 1uty s PRO 142 CO 0.31 -0.37 0.52 -0.51 -0.33 0.00 0.00 177.00 176.62 1uty s ASP 143 N -0.85 6.55 -0.04 2.53 1.11 -1.26 -5.04 116.67 119.66 1uty s ASP 143 Ca 0.55 0.66 0.02 0.00 0.18 0.00 0.00 52.55 53.96 1uty s ASP 143 Cb -0.35 -2.29 0.01 0.00 1.07 0.00 0.00 42.92 41.36 1uty s ASP 143 CO 0.45 -0.20 -0.08 -0.76 1.18 0.00 0.00 175.17 175.76 1uty s LEU 144 N 1.76 1.56 0.27 1.23 1.43 -1.26 -5.10 118.68 118.57 1uty s LEU 144 Ca 0.24 -0.20 -0.30 0.00 -1.03 0.00 0.00 54.13 52.84 1uty s LEU 144 Cb -0.15 -0.59 -0.13 0.00 0.03 0.00 0.00 46.19 45.34 1uty s LEU 144 CO 0.09 0.01 1.32 -2.65 0.23 0.00 0.00 176.35 175.35 1uty n PRO 145 N 3.74 1.93 -0.98 1.29 -0.02 -1.26 -1.19 135.00 138.52 1uty n PRO 145 Ca -0.23 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1uty n PRO 145 Cb 0.52 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1uty n PRO 145 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uty n GLY 146 N 1.70 0.12 3.26 -1.23 0.00 -1.26 -4.96 105.19 102.82 1uty n GLY 146 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1uty n GLY 146 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uty s VAL 147 N -1.26 3.79 0.61 1.61 1.01 -0.33 -5.10 120.40 120.73 1uty s VAL 147 Ca 0.00 -1.26 -0.05 0.00 0.00 0.00 0.00 61.98 60.66 1uty s VAL 147 Cb 0.00 -3.21 0.03 0.00 0.00 0.00 0.00 36.38 33.19 1uty s VAL 147 CO 0.00 -0.27 0.91 -0.04 0.00 0.00 0.00 175.10 175.70 1uty s MET 148 N 1.38 2.67 0.42 2.72 -1.94 -1.26 -4.60 119.30 118.69 1uty s MET 148 Ca -0.00 -0.17 -0.25 0.00 -1.71 0.00 0.00 55.69 53.56 1uty s MET 148 Cb -0.20 -2.27 -0.08 0.00 2.01 0.00 0.00 34.83 34.28 1uty s MET 148 CO 0.02 -0.84 1.25 1.03 -0.01 0.00 0.00 175.02 176.46 1uty s ARG 149 N -5.03 3.92 0.00 2.03 0.52 -1.26 -5.07 118.95 114.06 1uty s ARG 149 Ca 0.56 2.02 0.01 0.00 -0.52 0.00 0.00 55.73 57.80 1uty s ARG 149 Cb -0.11 -2.66 -0.04 0.00 0.52 0.00 0.00 34.95 32.67 1uty s ARG 149 CO 0.44 -0.49 0.02 0.45 0.02 0.00 0.00 175.30 175.74 1uty s SER 150 N -0.95 5.23 0.31 0.23 0.15 -1.26 -5.02 113.70 112.39 1uty s SER 150 Ca 0.59 0.02 0.07 0.00 0.70 0.00 0.00 55.95 57.33 1uty s SER 150 Cb -0.35 -1.39 0.50 0.00 -1.71 0.00 0.00 66.02 63.07 1uty s SER 150 CO 0.44 0.28 1.73 0.78 1.20 0.00 0.00 173.24 177.66 1uty h ASN 151 N 4.27 0.23 -3.29 5.45 -0.26 -2.06 -3.46 115.58 116.46 1uty h ASN 151 Ca -0.49 -0.09 -0.56 0.00 -0.56 0.00 0.00 56.30 54.60 1uty h ASN 151 Cb 1.18 -0.06 -0.04 0.00 -1.06 0.00 0.00 38.32 38.34 1uty h ASN 151 CO 0.58 0.60 -0.17 -0.31 -1.06 0.00 0.00 177.43 177.08 1uty s TYR 152 N -4.19 3.51 0.86 1.19 2.02 -1.26 -5.09 117.35 114.38 1uty s TYR 152 Ca -0.04 0.85 -0.12 0.00 -0.37 0.00 0.00 57.07 57.38 1uty s TYR 152 Cb 0.14 -2.22 0.11 0.00 -0.40 0.00 0.00 41.96 39.58 1uty s TYR 152 CO 0.77 0.39 1.10 0.16 -1.57 0.00 0.00 175.55 176.39 1uty s ASP 153 N -2.09 3.91 0.16 2.29 -4.77 -1.26 -4.86 116.67 110.04 1uty s ASP 153 Ca 0.41 1.31 -0.16 0.00 -3.30 0.00 0.00 52.55 50.81 1uty s ASP 153 Cb -0.13 -2.01 0.06 0.00 -1.09 0.00 0.00 42.92 39.76 1uty s ASP 153 CO 0.21 -2.34 1.75 -0.29 0.70 0.00 0.00 175.17 175.20 1uty h ILE 154 N -1.34 0.90 -0.16 2.11 6.09 -1.99 -1.64 117.51 121.48 1uty h ILE 154 Ca -0.49 -0.10 0.04 0.00 -1.37 0.00 0.00 64.86 62.94 1uty h ILE 154 Cb 1.29 0.59 -0.04 0.00 0.47 0.00 0.00 36.82 39.13 1uty h ILE 154 CO 0.58 0.05 -0.07 0.03 -3.07 0.00 0.00 178.15 175.67 1uty h ARG 155 N 0.28 -0.05 0.00 2.19 -0.00 -1.94 -2.35 114.38 112.51 1uty h ARG 155 Ca 0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.65 1uty h ARG 155 Cb 0.14 0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.12 1uty h ARG 155 CO -0.17 -0.04 0.00 1.05 0.00 0.00 0.00 179.97 180.82 1uty h GLU 156 N -0.05 0.00 0.15 0.04 -0.00 -1.85 -3.04 114.58 109.82 1uty h GLU 156 Ca 0.09 0.00 -0.32 0.00 -0.00 0.00 0.00 59.36 59.12 1uty h GLU 156 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.93 1uty h GLU 156 CO -0.19 0.00 -1.62 1.25 -0.00 0.00 0.00 179.01 178.44 1uty h LEU 157 N 0.00 0.49 -8.91 3.06 5.85 -0.76 -3.44 115.31 111.61 1uty h LEU 157 Ca 0.00 -0.70 -0.58 0.00 0.84 0.00 0.00 57.88 57.45 1uty h LEU 157 Cb 0.29 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1uty h LEU 157 CO 0.00 1.58 1.25 -0.13 -0.34 0.00 0.00 178.44 180.80 1uty s ARG 158 N -2.60 3.44 0.00 1.25 0.52 -1.12 -4.91 118.95 115.52 1uty s ARG 158 Ca -0.12 1.48 0.00 0.00 -0.52 0.00 0.00 55.73 56.58 1uty s ARG 158 Cb 0.06 -4.16 0.00 0.00 0.52 0.00 0.00 34.95 31.37 1uty s ARG 158 CO 0.86 -1.73 0.00 0.00 0.02 0.00 0.00 175.30 174.44 1uty n GLN 159 N 8.28 0.06 0.00 3.54 10.64 -1.26 -5.00 117.38 133.63 1uty n GLN 159 Ca 0.22 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.39 1uty n GLN 159 Cb 0.46 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.84 1uty n GLN 159 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40