#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1grw n VAL 4 N 0.00 -4.15 -2.18 -3.33 0.24 -1.26 -5.01 118.33 102.65 1grw n VAL 4 Ca 0.00 0.19 -0.38 0.00 -2.04 0.00 0.00 64.34 62.10 1grw n VAL 4 Cb 0.00 -4.77 -0.01 0.00 -1.47 0.00 0.00 33.84 27.60 1grw n VAL 4 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1grw s PRO 5 N -1.61 3.91 0.20 7.34 0.04 -1.26 -4.83 135.00 138.79 1grw s PRO 5 Ca 0.05 1.96 -0.31 0.00 0.04 0.00 0.00 61.00 62.74 1grw s PRO 5 Cb -0.02 -2.63 -0.11 0.00 0.04 0.00 0.00 34.50 31.79 1grw s PRO 5 CO 0.19 -0.47 1.59 -2.14 0.04 0.00 0.00 177.00 176.21 1grw s PRO 6 N -2.39 4.19 1.06 0.56 0.02 -1.26 -4.94 135.00 132.24 1grw s PRO 6 Ca 0.59 2.43 -0.18 0.00 0.02 0.00 0.00 61.00 63.87 1grw s PRO 6 Cb -0.33 -3.12 0.27 0.00 0.02 0.00 0.00 34.50 31.34 1grw s PRO 6 CO 0.42 -0.62 0.82 0.41 -0.33 0.00 0.00 177.00 177.70 1grw n GLY 7 N 3.50 -3.11 3.95 0.52 0.00 -1.26 -4.98 105.19 103.81 1grw n GLY 7 Ca 0.13 -1.42 -0.25 0.00 0.00 0.00 0.00 46.02 44.48 1grw n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1grw s ASP 8 N -3.56 6.34 0.44 1.61 -0.00 -1.26 -4.91 116.67 115.34 1grw s ASP 8 Ca 0.56 0.18 0.06 0.00 -0.00 0.00 0.00 52.55 53.35 1grw s ASP 8 Cb -0.07 -1.91 -0.03 0.00 -0.00 0.00 0.00 42.92 40.91 1grw s ASP 8 CO 0.44 0.01 0.21 0.27 -0.00 0.00 0.00 175.17 176.10 1grw s ILE 9 N -1.81 2.10 -0.03 0.77 -4.36 -1.26 -3.10 121.20 113.50 1grw s ILE 9 Ca 0.35 -1.68 0.03 0.00 -0.26 0.00 0.00 60.65 59.09 1grw s ILE 9 Cb -0.11 -2.78 0.00 0.00 1.25 0.00 0.00 42.46 40.83 1grw s ILE 9 CO 0.29 0.00 -0.11 -1.58 0.24 0.00 0.00 174.94 173.77 1grw s GLN 10 N -3.97 1.23 0.19 0.37 0.74 -0.33 -4.89 119.66 113.00 1grw s GLN 10 Ca 0.37 -0.39 0.11 0.00 0.05 0.00 0.00 55.36 55.49 1grw s GLN 10 Cb 0.02 -1.11 -0.04 0.00 1.10 0.00 0.00 33.01 32.98 1grw s GLN 10 CO 0.21 0.14 -0.22 0.95 -0.55 0.00 0.00 175.29 175.82 1grw s THR 11 N 0.19 2.20 -0.14 -0.34 -4.23 -1.26 -0.41 115.64 111.64 1grw s THR 11 Ca -0.04 -2.03 -0.01 0.00 -1.18 0.00 0.00 61.69 58.43 1grw s THR 11 Cb -0.10 -2.05 0.04 0.00 1.34 0.00 0.00 72.50 71.73 1grw s THR 11 CO 0.01 -0.20 -0.03 -1.10 -0.54 0.00 0.00 174.62 172.76 1grw s GLN 12 N -2.78 1.11 0.79 3.99 -0.21 0.55 -2.17 119.66 120.93 1grw s GLN 12 Ca 0.20 -0.33 -0.11 0.00 0.02 0.00 0.00 55.36 55.14 1grw s GLN 12 Cb -0.07 -1.75 0.07 0.00 1.00 0.00 0.00 33.01 32.25 1grw s GLN 12 CO 0.09 -0.43 1.10 -1.25 -2.12 0.00 0.00 175.29 172.69 1grw s PRO 13 N 1.76 2.12 0.08 2.91 0.04 -1.26 -1.00 135.00 139.64 1grw s PRO 13 Ca 0.02 1.23 0.24 0.00 0.04 0.00 0.00 61.00 62.53 1grw s PRO 13 Cb -0.15 -1.88 0.35 0.00 0.04 0.00 0.00 34.50 32.87 1grw s PRO 13 CO -0.07 -1.76 1.31 0.41 0.04 0.00 0.00 177.00 176.93 1grw n GLY 14 N -1.01 -1.35 0.00 0.56 0.00 -0.92 -4.63 105.19 97.85 1grw n GLY 14 Ca 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1grw n GLY 14 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1grw n THR 15 N -1.94 0.00 -3.57 2.61 -1.04 -1.26 -4.85 114.28 104.23 1grw n THR 15 Ca 0.04 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.08 1grw n THR 15 Cb 0.41 0.02 -0.00 0.00 -1.82 0.00 0.00 70.33 68.95 1grw n THR 15 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1grw s LYS 16 N -1.39 0.12 -0.02 -2.82 -2.85 -1.26 -4.31 119.74 107.21 1grw s LYS 16 Ca 0.00 -0.07 0.04 0.00 -1.00 0.00 0.00 55.97 54.94 1grw s LYS 16 Cb 0.00 0.04 -0.01 0.00 -2.06 0.00 0.00 37.83 35.80 1grw s LYS 16 CO 0.00 -0.06 -0.14 -1.50 0.10 0.00 0.00 175.35 173.75 1grw s ILE 17 N -2.13 1.13 -0.18 3.79 2.07 -0.34 -4.68 121.20 120.87 1grw s ILE 17 Ca 0.15 -0.60 -0.04 0.00 -1.41 0.00 0.00 60.65 58.75 1grw s ILE 17 Cb 0.07 -0.95 -0.02 0.00 0.13 0.00 0.00 42.46 41.69 1grw s ILE 17 CO -0.06 0.32 -0.04 -0.69 -1.91 0.00 0.00 174.94 172.56 1grw s VAL 18 N -0.23 3.68 -0.35 4.00 1.01 -1.26 -0.96 120.40 126.29 1grw s VAL 18 Ca 0.03 -0.42 -0.15 0.00 0.00 0.00 0.00 61.98 61.45 1grw s VAL 18 Cb -0.07 -2.63 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 1grw s VAL 18 CO -0.00 0.46 0.33 -0.36 0.00 0.00 0.00 175.10 175.54 1grw s PHE 19 N 0.77 3.21 0.12 5.22 0.08 0.20 -4.96 117.98 122.63 1grw s PHE 19 Ca -0.02 -0.09 -0.26 0.00 0.12 0.00 0.00 56.93 56.69 1grw s PHE 19 Cb -0.15 -2.63 -0.07 0.00 -0.57 0.00 0.00 43.02 39.60 1grw s PHE 19 CO 0.02 -0.43 0.79 -0.80 -0.10 0.00 0.00 175.22 174.70 1grw s ASN 20 N 1.73 7.35 1.09 1.36 0.01 -1.26 -0.77 114.94 124.45 1grw s ASN 20 Ca 0.10 1.60 -0.14 0.00 -0.71 0.00 0.00 52.86 53.71 1grw s ASN 20 Cb -0.17 -2.50 0.24 0.00 0.41 0.00 0.00 41.25 39.23 1grw s ASN 20 CO 0.11 0.13 1.07 0.00 -1.51 0.00 0.00 177.10 176.90 1grw s ALA 21 N -0.71 0.45 0.78 0.60 0.00 0.90 -4.74 121.76 119.04 1grw s ALA 21 Ca 0.38 -0.43 -0.11 0.00 0.00 0.00 0.00 51.96 51.79 1grw s ALA 21 Cb -0.22 -3.10 0.06 0.00 0.00 0.00 0.00 23.12 19.86 1grw s ALA 21 CO 0.26 -3.28 1.10 -1.25 0.00 0.00 0.00 175.76 172.58 1grw s PRO 22 N -4.92 2.18 -0.40 0.00 0.04 -1.26 -5.01 135.00 125.62 1grw s PRO 22 Ca 0.67 1.22 0.05 0.00 0.04 0.00 0.00 61.00 62.98 1grw s PRO 22 Cb -0.19 -1.88 0.44 0.00 0.04 0.00 0.00 34.50 32.91 1grw s PRO 22 CO 0.59 -1.71 1.33 0.66 0.04 0.00 0.00 177.00 177.91 1grw n TYR 23 N -3.50 2.98 1.18 0.56 4.01 -1.26 -4.67 117.16 116.46 1grw n TYR 23 Ca 0.09 -2.54 0.13 0.00 -0.16 0.00 0.00 57.90 55.42 1grw n TYR 23 Cb 0.53 -0.48 0.24 0.00 -0.31 0.00 0.00 39.34 39.32 1grw n TYR 23 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1grw n ASP 24 N -0.68 2.26 -3.29 7.72 8.00 -1.26 -2.00 116.55 127.31 1grw n ASP 24 Ca 0.46 -1.70 -0.16 0.00 0.71 0.00 0.00 54.79 54.10 1grw n ASP 24 Cb 0.82 0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.93 1grw n ASP 24 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1grw s ASP 25 N -2.10 1.17 -0.71 -2.24 2.15 -1.26 -4.85 116.67 108.84 1grw s ASP 25 Ca 0.30 -1.58 -0.22 0.00 0.43 0.00 0.00 52.55 51.47 1grw s ASP 25 Cb 0.20 0.62 0.08 0.00 -0.30 0.00 0.00 42.92 43.52 1grw s ASP 25 CO 0.36 -1.22 1.01 -0.75 -0.17 0.00 0.00 175.17 174.41 1grw s LYS 26 N -3.19 3.18 0.47 4.34 2.20 -1.26 -3.01 119.74 122.47 1grw s LYS 26 Ca 0.34 -0.92 -0.19 0.00 -0.36 0.00 0.00 55.97 54.84 1grw s LYS 26 Cb 0.01 -4.34 -0.10 0.00 -1.51 0.00 0.00 37.83 31.89 1grw s LYS 26 CO 0.23 -1.84 0.97 -1.01 -0.36 0.00 0.00 175.35 173.34 1grw s HIS 27 N 4.01 3.36 -0.27 4.03 3.76 0.14 -4.86 115.29 125.46 1grw s HIS 27 Ca 0.25 1.55 0.00 0.00 -0.15 0.00 0.00 55.06 56.71 1grw s HIS 27 Cb -0.15 -2.83 0.08 0.00 1.11 0.00 0.00 32.58 30.79 1grw s HIS 27 CO 0.07 -0.24 0.02 0.99 -0.85 0.00 0.00 174.74 174.74 1grw s THR 28 N -2.37 1.28 0.56 1.30 2.01 -1.26 -0.95 115.64 116.22 1grw s THR 28 Ca 0.61 -1.35 0.01 0.00 0.31 0.00 0.00 61.69 61.27 1grw s THR 28 Cb -0.10 -1.78 0.04 0.00 0.01 0.00 0.00 72.50 70.68 1grw s THR 28 CO 0.21 -0.38 0.79 -0.31 -0.69 0.00 0.00 174.62 174.24 1grw s TYR 29 N 1.46 2.70 -0.01 4.92 1.51 0.32 -4.86 117.35 123.40 1grw s TYR 29 Ca 0.02 -0.06 0.02 0.00 -1.01 0.00 0.00 57.07 56.03 1grw s TYR 29 Cb -0.18 -2.76 -0.00 0.00 -0.11 0.00 0.00 41.96 38.91 1grw s TYR 29 CO -0.13 -0.95 -0.05 -1.01 -1.11 0.00 0.00 175.55 172.30 1grw s HIS 30 N -2.79 0.46 -0.08 2.71 3.76 -1.26 -0.31 115.29 117.79 1grw s HIS 30 Ca 0.58 -0.09 0.02 0.00 -0.15 0.00 0.00 55.06 55.42 1grw s HIS 30 Cb -0.10 -0.30 0.02 0.00 1.11 0.00 0.00 32.58 33.30 1grw s HIS 30 CO 0.39 -0.01 -0.12 0.42 -0.85 0.00 0.00 174.74 174.57 1grw s ILE 31 N -0.07 1.15 -0.03 0.60 1.01 -0.55 -4.71 121.20 118.59 1grw s ILE 31 Ca 0.01 -0.46 -0.16 0.00 0.00 0.00 0.00 60.65 60.05 1grw s ILE 31 Cb -0.02 -1.07 -0.05 0.00 0.01 0.00 0.00 42.46 41.33 1grw s ILE 31 CO -0.00 0.36 0.43 -0.75 0.00 0.00 0.00 174.94 174.98 1grw s LYS 32 N 0.87 4.06 -0.18 2.79 2.20 -0.17 0.33 119.74 129.64 1grw s LYS 32 Ca -0.11 0.42 0.01 0.00 -0.36 0.00 0.00 55.97 55.94 1grw s LYS 32 Cb -0.15 -3.29 0.03 0.00 -1.51 0.00 0.00 37.83 32.90 1grw s LYS 32 CO 0.01 0.53 -0.17 0.08 -0.36 0.00 0.00 175.35 175.44 1grw s VAL 33 N -0.56 1.93 -0.13 4.02 1.01 -0.40 -0.33 120.40 125.95 1grw s VAL 33 Ca 0.24 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 1grw s VAL 33 Cb -0.16 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 1grw s VAL 33 CO 0.12 0.45 -0.12 -0.63 0.00 0.00 0.00 175.10 174.92 1grw s ILE 34 N 1.33 3.15 -0.88 2.22 1.01 0.45 -0.60 121.20 127.88 1grw s ILE 34 Ca 0.03 -0.63 -0.24 0.00 0.00 0.00 0.00 60.65 59.82 1grw s ILE 34 Cb -0.14 -2.32 0.05 0.00 0.01 0.00 0.00 42.46 40.06 1grw s ILE 34 CO -0.12 0.52 1.31 0.21 0.00 0.00 0.00 174.94 176.87 1grw s ASN 35 N 0.29 6.37 0.08 3.58 2.47 -0.53 -1.19 114.94 126.01 1grw s ASN 35 Ca -0.09 -1.13 0.27 0.00 0.42 0.00 0.00 52.86 52.32 1grw s ASN 35 Cb -0.15 -2.53 1.04 0.00 -1.45 0.00 0.00 41.25 38.15 1grw s ASN 35 CO 0.05 -1.56 1.83 -1.20 -3.72 0.00 0.00 177.10 172.50 1grw n SER 36 N 8.67 0.30 -4.13 -4.21 7.64 -1.21 0.47 113.62 121.15 1grw n SER 36 Ca 0.18 0.53 -0.29 0.00 1.01 0.00 0.00 58.87 60.30 1grw n SER 36 Cb 0.50 -0.61 0.22 0.00 -1.01 0.00 0.00 64.21 63.31 1grw n SER 36 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1grw s SER 37 N -3.56 1.35 0.00 6.43 1.04 -1.18 -4.77 113.70 113.02 1grw s SER 37 Ca 0.12 0.88 0.23 0.00 0.48 0.00 0.00 55.95 57.66 1grw s SER 37 Cb 0.16 -1.31 0.61 0.00 0.10 0.00 0.00 66.02 65.58 1grw s SER 37 CO 0.52 -3.88 1.52 0.00 0.98 0.00 0.00 173.24 172.38 1grw n ALA 38 N -4.63 2.39 -2.49 5.32 0.00 -1.26 -3.91 120.51 115.93 1grw n ALA 38 Ca 0.10 -1.24 -0.25 0.00 0.00 0.00 0.00 53.44 52.04 1grw n ALA 38 Cb 0.58 -0.93 -0.13 0.00 0.00 0.00 0.00 19.45 18.98 1grw n ALA 38 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1grw s ARG 39 N -1.10 1.22 0.10 0.00 1.81 -1.26 -4.83 118.95 114.89 1grw s ARG 39 Ca 0.48 -1.24 -0.31 0.00 -1.72 0.00 0.00 55.73 52.94 1grw s ARG 39 Cb 0.25 -1.55 -0.07 0.00 -0.45 0.00 0.00 34.95 33.14 1grw s ARG 39 CO 0.34 0.36 1.29 0.50 -0.68 0.00 0.00 175.30 177.11 1grw s ARG 40 N -2.01 4.38 0.16 3.54 3.52 -1.26 -4.22 118.95 123.05 1grw s ARG 40 Ca 0.09 1.93 0.10 0.00 -0.13 0.00 0.00 55.73 57.73 1grw s ARG 40 Cb -0.10 -3.29 -0.04 0.00 -1.56 0.00 0.00 34.95 29.97 1grw s ARG 40 CO 0.05 -0.33 -0.22 0.96 -0.81 0.00 0.00 175.30 174.95 1grw s ILE 41 N 0.95 2.06 -0.11 4.11 -4.36 -0.70 -0.82 121.20 122.33 1grw s ILE 41 Ca 0.61 -1.86 -0.05 0.00 -0.26 0.00 0.00 60.65 59.09 1grw s ILE 41 Cb -0.33 -1.91 -0.04 0.00 1.25 0.00 0.00 42.46 41.42 1grw s ILE 41 CO 0.31 -0.13 0.08 -0.83 0.24 0.00 0.00 174.94 174.60 1grw s GLY 42 N -2.43 2.01 0.11 6.27 0.00 0.03 -0.74 107.32 112.58 1grw s GLY 42 Ca 0.15 -0.72 0.04 0.00 0.00 0.00 0.00 44.72 44.20 1grw s GLY 42 CO 0.07 -0.45 -0.10 -2.52 0.00 0.00 0.00 173.10 170.10 1grw s TYR 43 N -0.92 1.15 0.05 1.90 -0.85 -0.30 -1.77 117.35 116.61 1grw s TYR 43 Ca 0.14 -0.68 0.03 0.00 -0.52 0.00 0.00 57.07 56.04 1grw s TYR 43 Cb -0.12 -0.61 -0.02 0.00 0.38 0.00 0.00 41.96 41.58 1grw s TYR 43 CO 0.03 0.04 -0.10 0.20 -1.52 0.00 0.00 175.55 174.20 1grw s GLY 44 N -2.66 0.61 -0.07 5.49 0.00 0.10 -1.10 107.32 109.69 1grw s GLY 44 Ca 0.09 -0.82 0.04 0.00 0.00 0.00 0.00 44.72 44.04 1grw s GLY 44 CO 0.00 -0.86 -0.21 -0.42 0.00 0.00 0.00 173.10 171.62 1grw s ILE 45 N -1.30 1.77 0.12 0.90 -1.09 0.34 -1.26 121.20 120.69 1grw s ILE 45 Ca -0.07 -0.88 0.05 0.00 -2.23 0.00 0.00 60.65 57.51 1grw s ILE 45 Cb -0.10 -1.53 -0.04 0.00 -1.58 0.00 0.00 42.46 39.22 1grw s ILE 45 CO 0.01 0.50 -0.12 -0.54 -1.23 0.00 0.00 174.94 173.56 1grw s LYS 46 N 0.16 0.98 0.26 2.79 1.02 -0.18 -4.89 119.74 119.88 1grw s LYS 46 Ca -0.10 -1.28 0.03 0.00 0.02 0.00 0.00 55.97 54.64 1grw s LYS 46 Cb -0.15 -0.70 -0.05 0.00 -0.52 0.00 0.00 37.83 36.40 1grw s LYS 46 CO 0.05 0.11 0.03 0.95 -0.92 0.00 0.00 175.35 175.57 1grw s THR 47 N -2.59 0.97 -2.12 2.17 -4.23 -1.26 -0.25 115.64 108.33 1grw s THR 47 Ca 0.10 -2.02 0.26 0.00 -1.18 0.00 0.00 61.69 58.85 1grw s THR 47 Cb -0.02 -2.50 0.30 0.00 1.34 0.00 0.00 72.50 71.62 1grw s THR 47 CO 0.01 -0.19 1.52 0.35 -0.54 0.00 0.00 174.62 175.77 1grw n THR 48 N -0.48 0.00 -3.35 3.99 -2.24 -0.93 -4.55 114.28 106.72 1grw n THR 48 Ca -0.03 -0.21 -0.22 0.00 -2.27 0.00 0.00 64.05 61.31 1grw n THR 48 Cb 0.65 0.65 -0.09 0.00 -2.10 0.00 0.00 70.33 69.44 1grw n THR 48 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1grw s ASN 49 N -2.31 1.50 0.53 3.42 3.84 -1.26 -4.94 114.94 115.72 1grw s ASN 49 Ca 0.28 -2.19 0.26 0.00 0.21 0.00 0.00 52.86 51.41 1grw s ASN 49 Cb 0.20 0.13 1.47 0.00 -0.55 0.00 0.00 41.25 42.49 1grw s ASN 49 CO 0.46 -0.23 2.11 0.24 -2.79 0.00 0.00 177.10 176.88 1grw h MET 50 N 6.46 0.00 0.87 0.43 2.86 -1.80 0.60 114.93 124.34 1grw h MET 50 Ca 0.12 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.72 1grw h MET 50 Cb 0.99 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.66 1grw h MET 50 CO 0.25 0.10 -0.42 0.87 1.06 0.00 0.00 176.91 178.77 1grw h LYS 51 N 0.00 -1.12 0.13 1.72 1.57 -1.98 -3.35 116.57 113.53 1grw h LYS 51 Ca -0.00 0.08 -0.31 0.00 -1.87 0.00 0.00 60.65 58.55 1grw h LYS 51 Cb 0.24 0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1grw h LYS 51 CO 0.01 -0.74 -1.53 -0.09 -0.57 0.00 0.00 179.45 176.53 1grw h ARG 52 N -1.21 0.27 -6.06 3.15 2.43 -1.87 -3.47 114.38 107.61 1grw h ARG 52 Ca -0.12 -0.45 -0.62 0.00 -0.81 0.00 0.00 59.98 57.97 1grw h ARG 52 Cb 0.90 0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 30.55 1grw h ARG 52 CO 0.20 1.14 -0.55 -0.51 -1.51 0.00 0.00 179.97 178.73 1grw s LEU 53 N -7.02 4.07 -0.15 3.80 1.43 0.21 -1.47 118.68 119.54 1grw s LEU 53 Ca -0.09 0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 53.02 1grw s LEU 53 Cb 0.07 -2.71 0.05 0.00 0.03 0.00 0.00 46.19 43.63 1grw s LEU 53 CO 0.86 0.16 0.39 -0.83 0.23 0.00 0.00 176.35 177.16 1grw s GLY 54 N -2.51 -0.30 -0.03 -3.19 0.00 -0.11 -4.34 107.32 96.85 1grw s GLY 54 Ca 0.32 1.29 0.07 0.00 0.00 0.00 0.00 44.72 46.40 1grw s GLY 54 CO 0.25 1.31 -0.25 0.14 0.00 0.00 0.00 173.10 174.55 1grw s VAL 55 N 0.85 2.00 -0.20 1.40 1.01 -1.26 0.54 120.40 124.74 1grw s VAL 55 Ca -0.05 -1.08 -0.08 0.00 0.00 0.00 0.00 61.98 60.77 1grw s VAL 55 Cb -0.06 -1.67 0.09 0.00 0.00 0.00 0.00 36.38 34.74 1grw s VAL 55 CO -0.06 0.56 0.44 -0.62 0.00 0.00 0.00 175.10 175.42 1grw s ASP 56 N -0.51 -0.40 0.54 3.32 2.15 -0.38 -3.40 116.67 117.99 1grw s ASP 56 Ca 0.07 1.03 -0.18 0.00 0.43 0.00 0.00 52.55 53.90 1grw s ASP 56 Cb -0.10 1.27 -0.06 0.00 -0.30 0.00 0.00 42.92 43.73 1grw s ASP 56 CO -0.00 -0.22 1.06 -2.16 -0.17 0.00 0.00 175.17 173.67 1grw s PRO 57 N 2.30 3.54 0.20 4.34 0.04 -1.26 -0.81 135.00 143.35 1grw s PRO 57 Ca -0.04 1.31 0.25 0.00 0.04 0.00 0.00 61.00 62.57 1grw s PRO 57 Cb -0.11 -2.06 0.65 0.00 0.04 0.00 0.00 34.50 33.03 1grw s PRO 57 CO -0.13 -0.64 1.64 -1.00 0.04 0.00 0.00 177.00 176.91 1grw h PRO 58 N 1.02 0.00 -2.55 0.56 0.13 -1.91 -3.46 132.00 125.79 1grw h PRO 58 Ca -0.48 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 1grw h PRO 58 Cb 1.22 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.20 1grw h PRO 58 CO 0.58 0.00 0.15 0.00 -0.23 0.00 0.00 178.00 178.50 1grw n GLY 60 N 0.35 1.60 2.87 0.00 0.00 -0.26 -4.99 105.19 104.76 1grw n GLY 60 Ca -0.18 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 1grw n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1grw s VAL 61 N -2.56 0.03 -0.16 1.61 1.01 -1.26 -1.15 120.40 117.91 1grw s VAL 61 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 1grw s VAL 61 Cb 0.00 -0.05 0.04 0.00 0.00 0.00 0.00 36.38 36.37 1grw s VAL 61 CO 0.00 0.02 -0.06 -0.76 0.00 0.00 0.00 175.10 174.30 1grw s LEU 62 N 0.12 1.59 1.08 3.92 2.01 0.08 -5.00 118.68 122.48 1grw s LEU 62 Ca -0.01 -0.61 -0.12 0.00 0.01 0.00 0.00 54.13 53.40 1grw s LEU 62 Cb -0.02 -0.93 0.24 0.00 0.01 0.00 0.00 46.19 45.49 1grw s LEU 62 CO -0.00 -0.17 1.06 -1.81 1.01 0.00 0.00 176.35 176.44 1grw s ASP 63 N 1.62 1.68 0.20 2.29 1.01 -1.26 -1.71 116.67 120.50 1grw s ASP 63 Ca 0.01 1.58 -0.33 0.00 0.71 0.00 0.00 52.55 54.53 1grw s ASP 63 Cb -0.15 -2.28 -0.14 0.00 1.01 0.00 0.00 42.92 41.36 1grw s ASP 63 CO -0.08 -3.78 1.50 -2.65 0.21 0.00 0.00 175.17 170.38 1grw n PRO 64 N -4.64 2.11 -0.88 8.23 -0.02 -1.26 -1.14 135.00 137.40 1grw n PRO 64 Ca 0.05 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1grw n PRO 64 Cb 0.54 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1grw n PRO 64 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1grw n LYS 65 N 2.77 -0.46 -2.99 -0.52 4.76 0.18 -5.02 118.16 116.88 1grw n LYS 65 Ca 0.14 0.11 -0.32 0.00 -2.87 0.00 0.00 58.31 55.38 1grw n LYS 65 Cb 0.30 -3.68 -0.05 0.00 -1.84 0.00 0.00 35.03 29.76 1grw n LYS 65 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1grw s GLU 66 N -0.70 3.97 0.20 1.97 2.12 -0.29 -4.77 118.70 121.20 1grw s GLU 66 Ca 0.00 0.69 0.07 0.00 0.36 0.00 0.00 54.97 56.09 1grw s GLU 66 Cb 0.00 -2.37 -0.05 0.00 0.26 0.00 0.00 34.13 31.97 1grw s GLU 66 CO 0.00 0.06 -0.13 0.00 -0.54 0.00 0.00 175.26 174.65 1grw s ALA 67 N -2.14 1.93 -0.01 6.30 0.00 -1.26 -1.45 121.76 125.13 1grw s ALA 67 Ca 0.55 -1.64 0.01 0.00 0.00 0.00 0.00 51.96 50.88 1grw s ALA 67 Cb -0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 23.12 22.97 1grw s ALA 67 CO 0.21 0.03 -0.04 0.54 0.00 0.00 0.00 175.76 176.50 1grw s VAL 68 N -3.04 0.36 -0.34 0.00 0.11 0.23 -5.00 120.40 112.73 1grw s VAL 68 Ca 0.22 -0.17 -0.14 0.00 -2.93 0.00 0.00 61.98 58.96 1grw s VAL 68 Cb 0.00 -0.32 -0.02 0.00 -1.53 0.00 0.00 36.38 34.51 1grw s VAL 68 CO 0.06 0.11 0.29 -0.22 -3.33 0.00 0.00 175.10 172.01 1grw s LEU 69 N 0.02 4.48 0.21 2.54 2.96 -1.26 -1.28 118.68 126.36 1grw s LEU 69 Ca 0.00 -0.34 -0.09 0.00 -0.22 0.00 0.00 54.13 53.48 1grw s LEU 69 Cb -0.03 -2.22 -0.07 0.00 0.50 0.00 0.00 46.19 44.37 1grw s LEU 69 CO -0.00 -0.27 0.53 -0.76 -1.32 0.00 0.00 176.35 174.52 1grw s LEU 70 N 1.84 4.19 -0.25 -0.68 1.43 0.15 -4.70 118.68 120.66 1grw s LEU 70 Ca 0.08 0.90 -0.06 0.00 -1.03 0.00 0.00 54.13 54.02 1grw s LEU 70 Cb -0.17 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.44 1grw s LEU 70 CO 0.11 -0.04 0.03 0.00 0.23 0.00 0.00 176.35 176.67 1grw s ALA 71 N -1.77 2.99 -0.27 4.21 0.00 0.01 -1.48 121.76 125.45 1grw s ALA 71 Ca 0.46 -1.23 -0.09 0.00 0.00 0.00 0.00 51.96 51.09 1grw s ALA 71 Cb -0.12 -1.94 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 1grw s ALA 71 CO 0.21 -0.58 0.13 0.08 0.00 0.00 0.00 175.76 175.60 1grw s VAL 72 N 1.53 4.70 -0.09 0.00 1.01 0.58 -1.25 120.40 126.87 1grw s VAL 72 Ca 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 1grw s VAL 72 Cb -0.15 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 1grw s VAL 72 CO 0.00 0.25 -0.03 -0.94 0.00 0.00 0.00 175.10 174.38 1grw s SER 73 N 1.66 4.91 -0.21 3.32 1.04 0.19 0.12 113.70 124.73 1grw s SER 73 Ca 0.06 0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.53 1grw s SER 73 Cb -0.16 -1.42 0.04 0.00 0.10 0.00 0.00 66.02 64.59 1grw s SER 73 CO 0.07 0.33 -0.13 0.00 0.98 0.00 0.00 173.24 174.49 1grw s ASP 75 N 1.30 1.74 0.18 0.00 1.01 -0.54 -0.68 116.67 119.67 1grw s ASP 75 Ca -0.02 1.28 -0.30 0.00 0.71 0.00 0.00 52.55 54.22 1grw s ASP 75 Cb -0.17 -2.00 -0.08 0.00 1.01 0.00 0.00 42.92 41.69 1grw s ASP 75 CO -0.08 -3.70 1.00 0.00 0.21 0.00 0.00 175.17 172.60 1grw s ALA 76 N -2.74 3.32 0.18 5.23 0.00 -1.16 -4.73 121.76 121.85 1grw s ALA 76 Ca 0.67 0.68 -0.12 0.00 0.00 0.00 0.00 51.96 53.19 1grw s ALA 76 Cb -0.21 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1grw s ALA 76 CO 0.61 -0.01 0.36 -0.59 0.00 0.00 0.00 175.76 176.13 1grw s PHE 77 N -0.51 0.24 -0.26 0.00 -0.71 -0.85 -4.96 117.98 110.93 1grw s PHE 77 Ca 0.46 -0.60 -0.19 0.00 -1.04 0.00 0.00 56.93 55.55 1grw s PHE 77 Cb -0.26 0.09 -0.02 0.00 -1.21 0.00 0.00 43.02 41.62 1grw s PHE 77 CO 0.33 -0.79 0.58 0.00 -1.34 0.00 0.00 175.22 174.00 1grw s ALA 78 N -3.94 3.59 0.07 1.99 0.00 -1.26 -4.69 121.76 117.52 1grw s ALA 78 Ca 0.15 -0.53 -0.20 0.00 0.00 0.00 0.00 51.96 51.38 1grw s ALA 78 Cb 0.02 -2.99 -0.10 0.00 0.00 0.00 0.00 23.12 20.05 1grw s ALA 78 CO -0.00 -0.82 1.52 0.35 0.00 0.00 0.00 175.76 176.81 1grw h PHE 79 N 7.98 0.36 -0.61 0.00 3.57 -1.98 -3.19 116.94 123.08 1grw h PHE 79 Ca -0.28 -0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.12 1grw h PHE 79 Cb 1.13 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.75 1grw h PHE 79 CO 0.76 0.51 0.19 0.78 -2.23 0.00 0.00 178.31 178.31 1grw h GLY 80 N 0.11 1.02 -1.14 2.40 0.00 -2.05 -3.33 103.07 100.09 1grw h GLY 80 Ca 0.06 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.78 1grw h GLY 80 CO 0.01 0.57 0.00 -1.06 0.00 0.00 0.00 176.54 176.06 1grw n GLN 81 N -4.38 0.49 -3.69 4.80 6.02 -1.20 -4.91 117.38 114.50 1grw n GLN 81 Ca 0.04 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.91 1grw n GLN 81 Cb 0.21 -1.25 -0.01 0.00 1.02 0.00 0.00 30.24 30.22 1grw n GLN 81 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1grw n GLU 82 N 0.32 0.80 -3.18 -1.09 1.02 -1.24 -4.91 120.64 112.38 1grw n GLU 82 Ca 0.00 -2.37 -0.45 0.00 -0.02 0.00 0.00 57.16 54.32 1grw n GLU 82 Cb 0.14 2.51 0.00 0.00 -0.02 0.00 0.00 31.44 34.07 1grw n GLU 82 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1grw n ASP 83 N -1.59 5.43 0.00 1.62 2.03 -1.26 -4.86 116.55 117.92 1grw n ASP 83 Ca -0.03 -3.03 0.10 0.00 0.52 0.00 0.00 54.79 52.36 1grw n ASP 83 Cb 0.54 -1.45 0.59 0.00 -0.72 0.00 0.00 41.12 40.09 1grw n ASP 83 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1grw n THR 84 N 3.36 0.00 -0.01 5.18 -2.24 -1.26 -3.77 114.28 115.54 1grw n THR 84 Ca 0.29 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.15 1grw n THR 84 Cb 0.40 -0.37 -0.15 0.00 -2.10 0.00 0.00 70.33 68.12 1grw n THR 84 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1grw n ASN 85 N -0.83 0.10 -0.58 3.42 6.94 -1.26 -4.45 115.26 118.60 1grw n ASN 85 Ca 0.15 0.04 0.05 0.00 -0.02 0.00 0.00 54.58 54.80 1grw n ASN 85 Cb 0.07 1.67 0.13 0.00 -2.36 0.00 0.00 39.78 39.29 1grw n ASN 85 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1grw n ASN 86 N -2.38 2.72 -4.77 0.53 3.02 -1.25 -5.04 115.26 108.10 1grw n ASN 86 Ca -0.08 -1.91 -0.39 0.00 -0.03 0.00 0.00 54.58 52.18 1grw n ASN 86 Cb 0.65 -0.19 -0.04 0.00 -0.61 0.00 0.00 39.78 39.60 1grw n ASN 86 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1grw s ASP 87 N -0.98 6.94 0.11 6.41 1.01 -1.26 -4.92 116.67 123.99 1grw s ASP 87 Ca 0.20 2.22 -0.26 0.00 0.71 0.00 0.00 52.55 55.42 1grw s ASP 87 Cb 0.11 -2.61 0.07 0.00 1.01 0.00 0.00 42.92 41.50 1grw s ASP 87 CO 0.15 -0.37 0.90 0.00 0.21 0.00 0.00 175.17 176.06 1grw s ARG 88 N -1.97 1.12 -0.14 8.23 1.70 -1.26 -1.00 118.95 125.64 1grw s ARG 88 Ca 0.51 -0.56 0.00 0.00 -0.47 0.00 0.00 55.73 55.22 1grw s ARG 88 Cb -0.29 0.42 -0.01 0.00 -0.57 0.00 0.00 34.95 34.51 1grw s ARG 88 CO 0.36 -0.51 -0.15 0.42 -1.08 0.00 0.00 175.30 174.35 1grw s ILE 89 N -3.30 2.78 -0.15 4.99 1.01 -0.39 -2.20 121.20 123.93 1grw s ILE 89 Ca 0.09 -0.74 -0.02 0.00 0.00 0.00 0.00 60.65 59.98 1grw s ILE 89 Cb -0.02 -2.16 -0.02 0.00 0.01 0.00 0.00 42.46 40.28 1grw s ILE 89 CO -0.02 0.52 -0.10 -0.89 0.00 0.00 0.00 174.94 174.46 1grw s THR 90 N 0.62 3.26 -0.30 2.92 2.01 0.65 -0.99 115.64 123.81 1grw s THR 90 Ca -0.08 -0.57 -0.08 0.00 0.31 0.00 0.00 61.69 61.26 1grw s THR 90 Cb -0.16 -2.41 -0.01 0.00 0.01 0.00 0.00 72.50 69.94 1grw s THR 90 CO 0.03 0.50 0.12 -0.69 -0.69 0.00 0.00 174.62 173.88 1grw s VAL 91 N 0.61 4.38 -0.10 3.82 1.01 -0.57 -1.01 120.40 128.54 1grw s VAL 91 Ca -0.06 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 1grw s VAL 91 Cb -0.15 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 1grw s VAL 91 CO 0.03 0.12 -0.02 -0.70 0.00 0.00 0.00 175.10 174.53 1grw s GLU 92 N 1.58 3.13 0.07 2.72 2.12 -0.39 -1.33 118.70 126.61 1grw s GLU 92 Ca 0.04 -0.46 -0.16 0.00 0.36 0.00 0.00 54.97 54.75 1grw s GLU 92 Cb -0.17 -2.79 0.03 0.00 0.26 0.00 0.00 34.13 31.46 1grw s GLU 92 CO 0.05 0.57 0.37 1.67 -0.54 0.00 0.00 175.26 177.37 1grw s TRP 93 N -0.52 -0.18 0.04 5.30 -2.14 0.32 -0.72 118.94 121.04 1grw s TRP 93 Ca 0.08 -0.01 -0.12 0.00 2.66 0.00 0.00 56.10 58.72 1grw s TRP 93 Cb -0.12 0.18 0.02 0.00 -3.10 0.00 0.00 33.47 30.45 1grw s TRP 93 CO 0.02 -0.60 0.27 -0.08 -2.66 0.00 0.00 176.95 173.90 1grw s THR 94 N -3.05 0.09 0.23 0.66 -1.32 -0.73 -1.01 115.64 110.52 1grw s THR 94 Ca -0.02 -0.74 -0.30 0.00 -1.21 0.00 0.00 61.69 59.42 1grw s THR 94 Cb 0.01 -0.92 -0.10 0.00 -1.51 0.00 0.00 72.50 69.97 1grw s THR 94 CO -0.07 -0.41 1.47 0.20 -2.21 0.00 0.00 174.62 173.61 1grw s ASN 95 N -2.05 6.62 0.30 8.08 0.01 -1.26 -0.79 114.94 125.84 1grw s ASN 95 Ca -0.05 2.67 -0.29 0.00 -0.71 0.00 0.00 52.86 54.48 1grw s ASN 95 Cb -0.01 -2.62 -0.11 0.00 0.41 0.00 0.00 41.25 38.93 1grw s ASN 95 CO -0.03 -0.74 1.47 0.42 -1.51 0.00 0.00 177.10 176.71 1grw s THR 96 N 0.22 2.39 0.68 1.60 -4.23 -0.00 -4.75 115.64 111.54 1grw s THR 96 Ca 0.62 0.35 -0.16 0.00 -1.18 0.00 0.00 61.69 61.32 1grw s THR 96 Cb -0.43 -3.22 0.01 0.00 1.34 0.00 0.00 72.50 70.20 1grw s THR 96 CO 0.41 0.07 1.18 -2.84 -0.54 0.00 0.00 174.62 172.90 1grw s PRO 97 N -0.96 2.51 -0.27 3.99 0.02 -1.26 -4.88 135.00 134.15 1grw s PRO 97 Ca 0.57 1.68 -0.40 0.00 0.02 0.00 0.00 61.00 62.87 1grw s PRO 97 Cb -0.44 -1.89 -0.16 0.00 0.02 0.00 0.00 34.50 32.04 1grw s PRO 97 CO 0.50 -1.53 1.74 -0.25 -0.33 0.00 0.00 177.00 177.12 1grw n ASP 98 N -2.37 2.37 -2.65 2.53 8.00 -1.26 -2.81 116.55 120.36 1grw n ASP 98 Ca 0.13 1.08 -0.01 0.00 0.71 0.00 0.00 54.79 56.70 1grw n ASP 98 Cb 0.51 -1.14 0.00 0.00 -0.02 0.00 0.00 41.12 40.47 1grw n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1grw n GLY 99 N 4.17 -1.02 3.18 0.44 0.00 -1.26 -5.06 105.19 105.64 1grw n GLY 99 Ca 0.26 0.36 -0.16 0.00 0.00 0.00 0.00 46.02 46.49 1grw n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1grw s ALA 100 N -2.92 1.18 0.80 4.61 0.00 -1.12 -5.15 121.76 119.15 1grw s ALA 100 Ca 0.02 -1.16 -0.05 0.00 0.00 0.00 0.00 51.96 50.77 1grw s ALA 100 Cb -0.01 -0.01 0.15 0.00 0.00 0.00 0.00 23.12 23.26 1grw s ALA 100 CO 0.56 0.03 1.09 0.00 0.00 0.00 0.00 175.76 177.44 1grw s ALA 101 N -2.14 3.33 -1.05 0.00 0.00 -1.26 -4.97 121.76 115.66 1grw s ALA 101 Ca 0.04 -1.65 -0.06 0.00 0.00 0.00 0.00 51.96 50.29 1grw s ALA 101 Cb -0.05 -2.18 -0.00 0.00 0.00 0.00 0.00 23.12 20.89 1grw s ALA 101 CO 0.01 -1.77 2.79 1.17 0.00 0.00 0.00 175.76 177.96 1grw n LYS 102 N -3.11 3.58 -3.77 0.00 4.81 -1.26 -4.78 118.16 113.63 1grw n LYS 102 Ca 0.16 -2.57 -0.21 0.00 -0.87 0.00 0.00 58.31 54.81 1grw n LYS 102 Cb 0.60 -2.49 -0.18 0.00 0.02 0.00 0.00 35.03 32.98 1grw n LYS 102 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1grw s GLN 103 N -0.09 0.39 0.52 1.64 0.74 -1.26 -4.89 119.66 116.71 1grw s GLN 103 Ca 0.61 0.18 -0.21 0.00 0.05 0.00 0.00 55.36 55.98 1grw s GLN 103 Cb 0.24 -0.79 -0.07 0.00 1.10 0.00 0.00 33.01 33.49 1grw s GLN 103 CO -0.10 -0.29 1.10 0.34 -0.55 0.00 0.00 175.29 175.80 1grw n PHE 104 N 5.07 1.41 -3.96 1.67 7.35 -1.26 -5.02 117.46 122.71 1grw n PHE 104 Ca -0.08 0.47 -0.21 0.00 -0.76 0.00 0.00 57.45 56.87 1grw n PHE 104 Cb 0.50 -2.24 -0.17 0.00 0.35 0.00 0.00 39.48 37.92 1grw n PHE 104 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1grw s ARG 105 N -2.53 0.63 0.59 -4.13 0.52 -1.26 -5.03 118.95 107.74 1grw s ARG 105 Ca 0.70 0.02 0.32 0.00 -0.52 0.00 0.00 55.73 56.25 1grw s ARG 105 Cb -0.46 -0.82 1.87 0.00 0.52 0.00 0.00 34.95 36.06 1grw s ARG 105 CO 0.51 -0.18 2.24 0.00 0.02 0.00 0.00 175.30 177.90 1grw h ARG 106 N 7.66 0.00 -0.05 3.54 3.08 -2.02 -1.97 114.38 124.62 1grw h ARG 106 Ca -0.31 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.70 1grw h ARG 106 Cb 1.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 1grw h ARG 106 CO 0.39 0.02 -0.12 0.93 -1.07 0.00 0.00 179.97 180.12 1grw h GLU 107 N 0.00 0.08 0.00 0.04 3.07 -2.00 -2.97 114.58 112.79 1grw h GLU 107 Ca -0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1grw h GLU 107 Cb 0.07 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 1grw h GLU 107 CO 0.00 0.20 0.09 -1.49 -1.40 0.00 0.00 179.01 176.41 1grw h TRP 108 N 0.07 0.00 -0.01 4.33 6.55 -1.76 0.26 115.95 125.39 1grw h TRP 108 Ca 0.02 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.86 1grw h TRP 108 Cb 0.26 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.56 1grw h TRP 108 CO 0.00 0.00 -0.31 1.19 -1.05 0.00 0.00 178.44 178.27 1grw n PHE 109 N -2.97 0.00 -0.10 0.49 3.01 -1.12 -4.43 117.46 112.34 1grw n PHE 109 Ca -0.03 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.28 1grw n PHE 109 Cb 0.15 -0.05 -0.09 0.00 -0.01 0.00 0.00 39.48 39.48 1grw n PHE 109 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1grw n GLN 110 N -0.16 0.50 -0.80 -1.08 6.02 0.88 -5.01 117.38 117.73 1grw n GLN 110 Ca 0.12 0.13 -0.30 0.00 -0.01 0.00 0.00 57.00 56.94 1grw n GLN 110 Cb 0.42 -1.38 0.26 0.00 1.02 0.00 0.00 30.24 30.56 1grw n GLN 110 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1grw s GLY 111 N -5.87 1.52 0.32 1.08 0.00 -0.91 -4.90 107.32 98.56 1grw s GLY 111 Ca -0.28 -0.85 -0.27 0.00 0.00 0.00 0.00 44.72 43.31 1grw s GLY 111 CO 0.45 0.07 1.06 1.22 0.00 0.00 0.00 173.10 175.90 1grw n ASP 112 N -5.09 1.56 0.00 1.64 9.92 -1.26 -4.83 116.55 118.49 1grw n ASP 112 Ca 0.12 1.16 0.00 0.00 -0.53 0.00 0.00 54.79 55.55 1grw n ASP 112 Cb 0.59 -1.33 0.00 0.00 -0.64 0.00 0.00 41.12 39.74 1grw n ASP 112 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1grw n GLY 113 N 1.13 0.29 3.23 0.44 0.00 -1.26 -5.08 105.19 103.94 1grw n GLY 113 Ca 0.09 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 44.10 1grw n GLY 113 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1grw s MET 114 N -2.00 2.51 -0.05 1.61 -1.94 -1.26 -5.12 119.30 113.06 1grw s MET 114 Ca 0.00 -0.84 0.03 0.00 -1.71 0.00 0.00 55.69 53.17 1grw s MET 114 Cb 0.00 -2.07 -0.03 0.00 2.01 0.00 0.00 34.83 34.74 1grw s MET 114 CO 0.00 0.30 -0.12 0.08 -0.01 0.00 0.00 175.02 175.28 1grw s VAL 115 N 0.01 3.27 0.03 -6.03 1.01 -1.26 -4.64 120.40 112.78 1grw s VAL 115 Ca -0.07 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.33 1grw s VAL 115 Cb -0.14 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 1grw s VAL 115 CO 0.05 0.58 -0.24 -0.60 0.00 0.00 0.00 175.10 174.89 1grw s ARG 116 N -0.80 1.93 0.02 2.72 3.52 -0.18 -4.95 118.95 121.22 1grw s ARG 116 Ca 0.12 -1.04 0.03 0.00 -0.13 0.00 0.00 55.73 54.71 1grw s ARG 116 Cb -0.11 -2.05 -0.02 0.00 -1.56 0.00 0.00 34.95 31.22 1grw s ARG 116 CO 0.01 0.53 -0.09 1.03 -0.81 0.00 0.00 175.30 175.97 1grw s ARG 117 N -1.16 0.67 -0.08 5.12 0.52 -1.26 -0.52 118.95 122.23 1grw s ARG 117 Ca 0.12 -0.56 -0.01 0.00 -0.52 0.00 0.00 55.73 54.76 1grw s ARG 117 Cb -0.10 -0.59 0.03 0.00 0.52 0.00 0.00 34.95 34.80 1grw s ARG 117 CO 0.02 0.15 -0.03 0.21 0.02 0.00 0.00 175.30 175.66 1grw s LYS 118 N -0.90 0.95 0.12 3.54 2.20 -0.44 -5.00 119.74 120.20 1grw s LYS 118 Ca -0.01 -0.05 -0.08 0.00 -0.36 0.00 0.00 55.97 55.47 1grw s LYS 118 Cb -0.06 -1.15 -0.06 0.00 -1.51 0.00 0.00 37.83 35.05 1grw s LYS 118 CO 0.00 -0.25 0.41 -0.80 -0.36 0.00 0.00 175.35 174.36 1grw s ASN 119 N 1.69 6.58 -0.42 1.43 0.01 -1.26 -1.51 114.94 121.46 1grw s ASN 119 Ca 0.02 0.74 0.02 0.00 -0.71 0.00 0.00 52.86 52.92 1grw s ASN 119 Cb -0.13 -2.15 0.14 0.00 0.41 0.00 0.00 41.25 39.52 1grw s ASN 119 CO -0.05 0.10 0.23 -0.76 -1.51 0.00 0.00 177.10 175.11 1grw s LEU 120 N -2.30 2.43 0.39 0.60 1.43 -0.16 -4.85 118.68 116.22 1grw s LEU 120 Ca 0.38 -2.54 -0.27 0.00 -1.03 0.00 0.00 54.13 50.67 1grw s LEU 120 Cb -0.13 -0.94 -0.10 0.00 0.03 0.00 0.00 46.19 45.05 1grw s LEU 120 CO 0.21 -0.28 1.41 -2.65 0.23 0.00 0.00 176.35 175.27 1grw n PRO 121 N 3.64 2.38 -3.28 1.29 -0.02 -1.26 -1.27 135.00 136.49 1grw n PRO 121 Ca 0.09 0.84 -0.40 0.00 -2.02 0.00 0.00 63.50 62.01 1grw n PRO 121 Cb 0.35 -2.56 -0.08 0.00 -0.02 0.00 0.00 33.50 31.19 1grw n PRO 121 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1grw s ILE 122 N -1.14 5.10 -0.19 4.25 -1.09 -0.17 -1.19 121.20 126.77 1grw s ILE 122 Ca 0.56 0.76 -0.03 0.00 -2.23 0.00 0.00 60.65 59.71 1grw s ILE 122 Cb -0.49 -3.79 -0.01 0.00 -1.58 0.00 0.00 42.46 36.58 1grw s ILE 122 CO 0.61 0.10 -0.06 -0.70 -1.23 0.00 0.00 174.94 173.66 1grw s GLU 123 N 2.24 3.45 -0.09 2.79 2.12 -0.13 -4.58 118.70 124.49 1grw s GLU 123 Ca 0.19 -0.61 -0.18 0.00 0.36 0.00 0.00 54.97 54.73 1grw s GLU 123 Cb -0.16 -2.93 -0.04 0.00 0.26 0.00 0.00 34.13 31.26 1grw s GLU 123 CO 0.10 -0.03 0.49 0.71 -0.54 0.00 0.00 175.26 175.99 1grw s TYR 124 N 1.04 3.55 -0.48 5.30 2.02 -1.26 -0.63 117.35 126.89 1grw s TYR 124 Ca 0.01 0.95 0.02 0.00 -0.37 0.00 0.00 57.07 57.67 1grw s TYR 124 Cb -0.15 -2.54 0.13 0.00 -0.40 0.00 0.00 41.96 39.00 1grw s TYR 124 CO -0.00 0.23 0.24 1.21 -1.57 0.00 0.00 175.55 175.66 1grw s ASN 125 N 0.38 4.74 0.00 2.29 2.47 0.05 -4.93 114.94 119.94 1grw s ASN 125 Ca 0.27 -2.65 0.31 0.00 0.42 0.00 0.00 52.86 51.21 1grw s ASN 125 Cb -0.16 -1.70 1.60 0.00 -1.45 0.00 0.00 41.25 39.53 1grw s ASN 125 CO 0.12 -0.34 2.05 -0.81 -3.72 0.00 0.00 177.10 174.40