#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1msp n PRO 6 N 0.00 0.59 -2.13 0.54 -0.04 -1.26 -4.98 135.00 127.72 1msp n PRO 6 Ca 0.00 0.25 -0.27 0.00 -0.04 0.00 0.00 63.50 63.44 1msp n PRO 6 Cb 0.00 -2.10 0.12 0.00 -0.04 0.00 0.00 33.50 31.48 1msp n PRO 6 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1msp s GLY 7 N -1.45 1.71 0.54 0.55 0.00 -1.26 -5.03 107.32 102.38 1msp s GLY 7 Ca 0.73 -1.10 -0.21 0.00 0.00 0.00 0.00 44.72 44.14 1msp s GLY 7 CO 0.51 -0.54 1.25 0.99 0.00 0.00 0.00 173.10 175.31 1msp s ASP 8 N -4.68 5.45 0.08 1.64 1.11 -1.26 -4.83 116.67 114.17 1msp s ASP 8 Ca 0.66 2.51 0.06 0.00 0.18 0.00 0.00 52.55 55.96 1msp s ASP 8 Cb -0.08 -2.61 -0.03 0.00 1.07 0.00 0.00 42.92 41.27 1msp s ASP 8 CO 0.48 -1.43 -0.17 0.27 1.18 0.00 0.00 175.17 175.50 1msp s ILE 9 N -1.47 1.36 -0.14 0.77 -4.36 -1.26 -1.99 121.20 114.11 1msp s ILE 9 Ca 0.72 -1.37 -0.04 0.00 -0.26 0.00 0.00 60.65 59.70 1msp s ILE 9 Cb -0.34 -1.27 -0.03 0.00 1.25 0.00 0.00 42.46 42.07 1msp s ILE 9 CO 0.39 -0.13 -0.00 0.20 0.24 0.00 0.00 174.94 175.64 1msp s ASN 10 N -1.75 5.14 -0.05 4.36 0.01 0.22 -4.91 114.94 117.96 1msp s ASN 10 Ca 0.02 0.01 0.06 0.00 -0.71 0.00 0.00 52.86 52.23 1msp s ASN 10 Cb -0.10 -1.73 -0.01 0.00 0.41 0.00 0.00 41.25 39.82 1msp s ASN 10 CO 0.03 0.23 -0.24 0.42 -1.51 0.00 0.00 177.10 176.04 1msp s THR 11 N -0.02 1.94 -0.25 1.60 -4.23 -1.25 0.93 115.64 114.36 1msp s THR 11 Ca 0.03 -1.01 0.01 0.00 -1.18 0.00 0.00 61.69 59.54 1msp s THR 11 Cb -0.13 -1.65 0.07 0.00 1.34 0.00 0.00 72.50 72.13 1msp s THR 11 CO 0.02 0.54 -0.03 -1.10 -0.54 0.00 0.00 174.62 173.51 1msp s GLN 12 N -0.14 1.58 0.67 3.99 -0.21 -0.04 -2.52 119.66 122.99 1msp s GLN 12 Ca -0.03 -1.12 -0.17 0.00 0.02 0.00 0.00 55.36 54.06 1msp s GLN 12 Cb -0.13 -2.63 0.01 0.00 1.00 0.00 0.00 33.01 31.26 1msp s GLN 12 CO 0.03 -0.66 1.22 -2.14 -2.12 0.00 0.00 175.29 171.62 1msp s PRO 13 N 1.34 2.47 0.22 2.91 0.02 -1.26 -0.92 135.00 139.78 1msp s PRO 13 Ca -0.03 1.82 0.14 0.00 0.02 0.00 0.00 61.00 62.95 1msp s PRO 13 Cb -0.19 -1.87 -0.01 0.00 0.02 0.00 0.00 34.50 32.46 1msp s PRO 13 CO -0.08 -1.59 1.33 0.66 -0.33 0.00 0.00 177.00 176.98 1msp h SER 14 N 0.20 0.00 0.00 2.53 4.64 -1.90 -3.42 113.55 115.60 1msp h SER 14 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1msp h SER 14 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1msp h SER 14 CO 0.52 0.59 -0.57 0.00 -0.87 0.00 0.00 176.83 176.50 1msp n GLN 15 N -3.19 1.36 -4.02 4.77 6.02 -1.26 -4.88 117.38 116.18 1msp n GLN 15 Ca -0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 1msp n GLN 15 Cb 0.78 -0.78 -0.06 0.00 1.02 0.00 0.00 30.24 31.19 1msp n GLN 15 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1msp s LYS 16 N -1.57 1.40 -0.07 -1.09 0.00 -1.26 -4.10 119.74 113.04 1msp s LYS 16 Ca 0.00 -1.29 0.04 0.00 0.00 0.00 0.00 55.97 54.72 1msp s LYS 16 Cb 0.00 0.42 0.00 0.00 0.00 0.00 0.00 37.83 38.25 1msp s LYS 16 CO 0.00 -0.55 -0.19 0.42 0.00 0.00 0.00 175.35 175.02 1msp s ILE 17 N -4.03 1.67 -0.21 3.79 1.01 -0.83 -4.67 121.20 117.93 1msp s ILE 17 Ca 0.24 -0.81 -0.04 0.00 0.00 0.00 0.00 60.65 60.04 1msp s ILE 17 Cb 0.01 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 1msp s ILE 17 CO 0.07 0.47 -0.03 -0.69 0.00 0.00 0.00 174.94 174.77 1msp s VAL 18 N 0.33 3.57 -0.23 2.92 1.01 -1.26 -0.86 120.40 125.88 1msp s VAL 18 Ca -0.13 -0.44 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 1msp s VAL 18 Cb -0.16 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1msp s VAL 18 CO 0.06 0.43 0.11 -0.36 0.00 0.00 0.00 175.10 175.34 1msp s PHE 19 N 1.25 3.23 0.05 5.22 0.08 0.23 -4.97 117.98 123.08 1msp s PHE 19 Ca 0.03 0.03 -0.03 0.00 0.12 0.00 0.00 56.93 57.08 1msp s PHE 19 Cb -0.14 -2.21 -0.04 0.00 -0.57 0.00 0.00 43.02 40.05 1msp s PHE 19 CO -0.01 -0.02 0.25 -0.80 -0.10 0.00 0.00 175.22 174.54 1msp s ASN 20 N 1.04 6.42 0.98 1.36 0.01 -1.26 0.25 114.94 123.73 1msp s ASN 20 Ca 0.06 0.42 -0.14 0.00 -0.71 0.00 0.00 52.86 52.48 1msp s ASN 20 Cb -0.14 -2.02 0.18 0.00 0.41 0.00 0.00 41.25 39.68 1msp s ASN 20 CO 0.04 0.19 1.16 0.00 -1.51 0.00 0.00 177.10 176.98 1msp s ALA 21 N -1.45 1.58 1.12 0.60 0.00 0.03 -4.69 121.76 118.95 1msp s ALA 21 Ca 0.33 -0.72 -0.14 0.00 0.00 0.00 0.00 51.96 51.43 1msp s ALA 21 Cb -0.13 -2.96 0.25 0.00 0.00 0.00 0.00 23.12 20.28 1msp s ALA 21 CO 0.22 -2.60 1.06 -1.25 0.00 0.00 0.00 175.76 173.19 1msp s PRO 22 N -5.39 -0.55 -0.23 0.00 0.04 -1.26 -5.03 135.00 122.57 1msp s PRO 22 Ca 0.67 0.51 0.13 0.00 0.04 0.00 0.00 61.00 62.35 1msp s PRO 22 Cb -0.12 -1.62 0.45 0.00 0.04 0.00 0.00 34.50 33.25 1msp s PRO 22 CO 0.54 -3.39 1.18 0.66 0.04 0.00 0.00 177.00 176.03 1msp n TYR 23 N -4.63 1.43 0.73 0.56 4.01 -1.26 -4.67 117.16 113.33 1msp n TYR 23 Ca 0.05 -1.82 0.08 0.00 -0.16 0.00 0.00 57.90 56.05 1msp n TYR 23 Cb 0.57 -0.28 -0.00 0.00 -0.31 0.00 0.00 39.34 39.32 1msp n TYR 23 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1msp n ASP 24 N -0.69 1.65 -4.56 7.72 5.68 -1.26 -3.08 116.55 122.00 1msp n ASP 24 Ca 0.27 -1.32 -0.28 0.00 -0.50 0.00 0.00 54.79 52.96 1msp n ASP 24 Cb 0.88 0.47 -0.10 0.00 -1.14 0.00 0.00 41.12 41.24 1msp n ASP 24 CO 0.00 0.00 0.00 1.51 -1.33 0.00 0.00 177.20 177.38 1msp s ASP 25 N -1.94 4.24 -0.19 -1.12 1.47 -1.26 -4.87 116.67 113.00 1msp s ASP 25 Ca 0.14 -0.54 -0.21 0.00 1.18 0.00 0.00 52.55 53.11 1msp s ASP 25 Cb 0.13 -0.72 -0.03 0.00 -0.34 0.00 0.00 42.92 41.96 1msp s ASP 25 CO 0.42 0.12 0.65 -0.54 0.68 0.00 0.00 175.17 176.50 1msp s LYS 26 N -2.64 4.23 -0.21 2.11 3.01 -1.26 -4.52 119.74 120.46 1msp s LYS 26 Ca 0.23 0.66 -0.06 0.00 -1.01 0.00 0.00 55.97 55.80 1msp s LYS 26 Cb -0.09 -3.57 -0.03 0.00 -1.01 0.00 0.00 37.83 33.13 1msp s LYS 26 CO 0.14 -0.22 0.02 -1.01 0.51 0.00 0.00 175.35 174.79 1msp s HIS 27 N 1.84 3.06 -0.26 3.18 0.09 -0.96 -4.89 115.29 117.35 1msp s HIS 27 Ca 0.30 -0.45 -0.10 0.00 -0.00 0.00 0.00 55.06 54.82 1msp s HIS 27 Cb -0.16 -2.13 -0.04 0.00 -0.00 0.00 0.00 32.58 30.25 1msp s HIS 27 CO 0.11 -0.27 0.14 -0.08 -0.00 0.00 0.00 174.74 174.64 1msp s THR 28 N 1.17 4.96 0.55 1.30 -1.32 -1.26 -1.42 115.64 119.62 1msp s THR 28 Ca 0.03 0.05 0.08 0.00 -1.21 0.00 0.00 61.69 60.64 1msp s THR 28 Cb -0.14 -3.34 0.07 0.00 -1.51 0.00 0.00 72.50 67.58 1msp s THR 28 CO 0.02 0.30 0.76 -0.31 -2.21 0.00 0.00 174.62 173.18 1msp s TYR 29 N 1.60 1.77 -0.02 9.09 1.51 -0.92 -4.97 117.35 125.41 1msp s TYR 29 Ca 0.07 -0.59 -0.08 0.00 -1.01 0.00 0.00 57.07 55.46 1msp s TYR 29 Cb -0.15 -2.34 0.01 0.00 -0.11 0.00 0.00 41.96 39.36 1msp s TYR 29 CO 0.08 -1.05 0.17 -1.01 -1.11 0.00 0.00 175.55 172.63 1msp s HIS 30 N -2.65 -0.06 0.23 2.71 3.76 -1.26 -1.95 115.29 116.08 1msp s HIS 30 Ca 0.61 0.10 0.09 0.00 -0.15 0.00 0.00 55.06 55.71 1msp s HIS 30 Cb -0.07 0.00 -0.05 0.00 1.11 0.00 0.00 32.58 33.58 1msp s HIS 30 CO 0.38 -0.25 -0.16 0.42 -0.85 0.00 0.00 174.74 174.28 1msp s ILE 31 N -0.95 2.02 -0.14 0.60 1.01 0.69 -4.76 121.20 119.66 1msp s ILE 31 Ca -0.10 -2.29 0.02 0.00 0.00 0.00 0.00 60.65 58.28 1msp s ILE 31 Cb -0.06 -2.14 0.01 0.00 0.01 0.00 0.00 42.46 40.29 1msp s ILE 31 CO 0.01 -0.52 -0.19 -0.75 0.00 0.00 0.00 174.94 173.49 1msp s LYS 32 N -3.59 2.72 -0.10 2.79 2.20 -0.10 -0.99 119.74 122.67 1msp s LYS 32 Ca 0.25 -0.74 0.03 0.00 -0.36 0.00 0.00 55.97 55.15 1msp s LYS 32 Cb -0.02 -2.27 -0.01 0.00 -1.51 0.00 0.00 37.83 34.01 1msp s LYS 32 CO 0.10 -0.08 -0.19 0.42 -0.36 0.00 0.00 175.35 175.23 1msp s ILE 33 N 1.01 2.51 -0.04 5.43 1.01 0.47 -0.86 121.20 130.73 1msp s ILE 33 Ca -0.04 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.75 1msp s ILE 33 Cb -0.15 -1.99 0.02 0.00 0.01 0.00 0.00 42.46 40.36 1msp s ILE 33 CO -0.05 0.55 -0.04 -0.89 0.00 0.00 0.00 174.94 174.52 1msp s THR 34 N 0.12 0.50 -0.83 2.92 2.01 0.26 -0.59 115.64 120.04 1msp s THR 34 Ca -0.10 -0.09 -0.24 0.00 0.31 0.00 0.00 61.69 61.57 1msp s THR 34 Cb -0.16 -0.54 0.05 0.00 0.01 0.00 0.00 72.50 71.87 1msp s THR 34 CO 0.06 0.22 1.26 0.21 -0.69 0.00 0.00 174.62 175.68 1msp s ASN 35 N 0.99 6.31 -0.00 3.53 2.47 -0.88 0.73 114.94 128.08 1msp s ASN 35 Ca -0.10 -1.00 0.00 0.00 0.42 0.00 0.00 52.86 52.18 1msp s ASN 35 Cb -0.14 -2.52 0.01 0.00 -1.45 0.00 0.00 41.25 37.14 1msp s ASN 35 CO -0.00 -1.59 0.58 0.00 -3.72 0.00 0.00 177.10 172.36 1msp n ALA 36 N 8.65 2.51 -2.00 1.71 0.00 -0.84 0.14 120.51 130.68 1msp n ALA 36 Ca 0.13 -0.02 -0.23 0.00 0.00 0.00 0.00 53.44 53.32 1msp n ALA 36 Cb 0.49 -1.00 0.10 0.00 0.00 0.00 0.00 19.45 19.04 1msp n ALA 36 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1msp s GLY 37 N 0.13 1.75 -0.10 0.00 0.00 -1.24 -4.61 107.32 103.25 1msp s GLY 37 Ca 0.00 -1.83 0.20 0.00 0.00 0.00 0.00 44.72 43.09 1msp s GLY 37 CO 0.00 -1.27 0.33 0.61 0.00 0.00 0.00 173.10 172.77 1msp n GLY 38 N -2.74 -1.02 3.73 0.20 0.00 -1.26 -4.07 105.19 100.04 1msp n GLY 38 Ca 0.15 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 1msp n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1msp s ARG 39 N -3.01 2.67 0.40 1.61 0.52 -1.26 -4.78 118.95 115.10 1msp s ARG 39 Ca -0.08 -0.95 -0.25 0.00 -0.52 0.00 0.00 55.73 53.93 1msp s ARG 39 Cb 0.10 -2.53 -0.08 0.00 0.52 0.00 0.00 34.95 32.96 1msp s ARG 39 CO 0.87 0.48 1.14 0.50 0.02 0.00 0.00 175.30 178.31 1msp s ARG 40 N -2.93 4.05 0.18 3.54 3.52 -1.26 -4.23 118.95 121.83 1msp s ARG 40 Ca 0.29 1.76 0.03 0.00 -0.13 0.00 0.00 55.73 57.68 1msp s ARG 40 Cb -0.10 -2.63 -0.05 0.00 -1.56 0.00 0.00 34.95 30.62 1msp s ARG 40 CO 0.21 -0.30 -0.03 0.96 -0.81 0.00 0.00 175.30 175.33 1msp s ILE 41 N -1.48 0.95 0.08 4.11 -4.36 -1.12 -0.60 121.20 118.80 1msp s ILE 41 Ca 0.58 -2.02 0.09 0.00 -0.26 0.00 0.00 60.65 59.03 1msp s ILE 41 Cb -0.29 -2.10 -0.04 0.00 1.25 0.00 0.00 42.46 41.29 1msp s ILE 41 CO 0.36 -0.52 -0.20 -0.83 0.24 0.00 0.00 174.94 173.98 1msp s GLY 42 N -3.21 1.60 -0.01 6.27 0.00 -0.13 -0.21 107.32 111.64 1msp s GLY 42 Ca 0.23 -1.30 -0.16 0.00 0.00 0.00 0.00 44.72 43.49 1msp s GLY 42 CO 0.04 -1.24 0.33 0.66 0.00 0.00 0.00 173.10 172.89 1msp s TRP 43 N -1.02 -0.20 0.05 1.90 1.48 0.13 -1.69 118.94 119.60 1msp s TRP 43 Ca 0.16 0.28 0.00 0.00 -1.06 0.00 0.00 56.10 55.48 1msp s TRP 43 Cb -0.10 0.11 -0.03 0.00 -1.16 0.00 0.00 33.47 32.29 1msp s TRP 43 CO 0.07 -0.41 -0.05 0.00 -4.06 0.00 0.00 176.95 172.50 1msp s ALA 44 N -1.46 0.54 -0.08 2.67 0.00 -0.04 -0.46 121.76 122.94 1msp s ALA 44 Ca -0.13 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 50.82 1msp s ALA 44 Cb -0.04 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 1msp s ALA 44 CO 0.04 -0.23 -0.13 0.42 0.00 0.00 0.00 175.76 175.86 1msp s ILE 45 N -2.89 3.16 -0.03 0.00 -1.09 0.78 -0.42 121.20 120.72 1msp s ILE 45 Ca 0.00 -0.66 0.03 0.00 -2.23 0.00 0.00 60.65 57.79 1msp s ILE 45 Cb 0.00 -2.28 -0.00 0.00 -1.58 0.00 0.00 42.46 38.61 1msp s ILE 45 CO -0.05 0.57 -0.13 -0.75 -1.23 0.00 0.00 174.94 173.35 1msp s LYS 46 N -0.41 1.32 0.26 2.79 2.47 0.45 -4.94 119.74 121.67 1msp s LYS 46 Ca 0.05 -0.44 0.08 0.00 -1.56 0.00 0.00 55.97 54.09 1msp s LYS 46 Cb -0.12 -1.19 -0.04 0.00 -1.46 0.00 0.00 37.83 35.02 1msp s LYS 46 CO 0.02 0.18 0.16 0.99 0.16 0.00 0.00 175.35 176.86 1msp s THR 47 N 0.10 4.19 -2.61 3.43 2.01 -1.26 0.23 115.64 121.72 1msp s THR 47 Ca -0.03 -1.50 0.23 0.00 0.31 0.00 0.00 61.69 60.70 1msp s THR 47 Cb -0.10 -3.28 0.37 0.00 0.01 0.00 0.00 72.50 69.50 1msp s THR 47 CO 0.01 -0.34 1.40 0.41 -0.69 0.00 0.00 174.62 175.41 1msp n THR 48 N -1.14 0.30 -3.27 -0.82 -1.04 0.07 -4.66 114.28 103.73 1msp n THR 48 Ca -0.07 -0.61 -0.12 0.00 -2.04 0.00 0.00 64.05 61.21 1msp n THR 48 Cb 0.58 1.04 -0.05 0.00 -1.82 0.00 0.00 70.33 70.07 1msp n THR 48 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1msp s ASN 49 N -1.67 0.29 0.10 8.00 3.84 -1.26 -4.89 114.94 119.35 1msp s ASN 49 Ca 0.35 -1.54 0.12 0.00 0.21 0.00 0.00 52.86 52.00 1msp s ASN 49 Cb 0.21 0.94 0.56 0.00 -0.55 0.00 0.00 41.25 42.42 1msp s ASN 49 CO 0.31 -0.21 1.38 0.23 -2.79 0.00 0.00 177.10 176.02 1msp n MET 50 N 4.03 0.06 0.05 0.43 0.00 -1.26 -1.21 117.12 119.21 1msp n MET 50 Ca 0.13 0.44 -0.22 0.00 0.00 0.00 0.00 57.70 58.05 1msp n MET 50 Cb 0.49 -1.64 -0.15 0.00 0.00 0.00 0.00 33.22 31.92 1msp n MET 50 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 1msp h ARG 51 N 0.00 0.35 0.00 0.03 1.12 -1.99 -3.43 114.38 110.46 1msp h ARG 51 Ca 0.00 -0.59 -0.01 0.00 -1.11 0.00 0.00 59.98 58.27 1msp h ARG 51 Cb 0.14 0.22 -0.00 0.00 -0.01 0.00 0.00 29.97 30.32 1msp h ARG 51 CO 0.00 1.28 -0.33 -0.09 -3.11 0.00 0.00 179.97 177.72 1msp h ARG 52 N 0.06 0.00 -7.35 0.20 2.43 -1.85 -3.46 114.38 104.40 1msp h ARG 52 Ca -0.37 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.29 1msp h ARG 52 Cb 2.05 0.00 0.08 0.00 -0.42 0.00 0.00 29.97 31.69 1msp h ARG 52 CO 0.14 0.07 0.39 -0.51 -1.51 0.00 0.00 179.97 178.54 1msp s LEU 53 N -8.33 3.12 -0.28 3.80 1.43 -0.35 -1.57 118.68 116.51 1msp s LEU 53 Ca -0.10 1.52 -0.24 0.00 -1.03 0.00 0.00 54.13 54.28 1msp s LEU 53 Cb 0.01 -4.43 0.09 0.00 0.03 0.00 0.00 46.19 41.89 1msp s LEU 53 CO 0.16 -1.29 0.82 -0.44 0.23 0.00 0.00 176.35 175.83 1msp s SER 54 N -3.94 -0.67 0.11 2.29 0.01 -1.06 -4.66 113.70 105.78 1msp s SER 54 Ca 0.57 1.26 0.06 0.00 1.31 0.00 0.00 55.95 59.16 1msp s SER 54 Cb -0.13 1.28 -0.04 0.00 0.21 0.00 0.00 66.02 67.35 1msp s SER 54 CO 0.55 -0.22 -0.16 -0.69 0.41 0.00 0.00 173.24 173.13 1msp s VAL 55 N 0.49 1.38 -0.30 3.43 1.01 -1.26 -1.55 120.40 123.60 1msp s VAL 55 Ca -0.00 -1.60 -0.05 0.00 0.00 0.00 0.00 61.98 60.33 1msp s VAL 55 Cb -0.05 -1.45 0.19 0.00 0.00 0.00 0.00 36.38 35.07 1msp s VAL 55 CO -0.04 -0.30 0.78 -0.62 0.00 0.00 0.00 175.10 174.93 1msp s ASP 56 N -2.20 -1.04 0.87 3.32 2.15 -1.23 -4.42 116.67 114.12 1msp s ASP 56 Ca 0.06 0.52 -0.12 0.00 0.43 0.00 0.00 52.55 53.44 1msp s ASP 56 Cb -0.07 1.82 0.11 0.00 -0.30 0.00 0.00 42.92 44.48 1msp s ASP 56 CO 0.03 -0.19 1.15 -2.16 -0.17 0.00 0.00 175.17 173.83 1msp s PRO 57 N 2.89 1.47 0.00 4.34 0.04 -1.26 -2.39 135.00 140.09 1msp s PRO 57 Ca 0.13 0.22 0.16 0.00 0.04 0.00 0.00 61.00 61.55 1msp s PRO 57 Cb -0.12 -1.88 0.12 0.00 0.04 0.00 0.00 34.50 32.66 1msp s PRO 57 CO -0.19 -1.96 1.00 -0.35 0.04 0.00 0.00 177.00 175.54 1msp n PRO 58 N -3.59 1.31 -3.62 0.56 -0.04 -1.26 -4.86 135.00 123.50 1msp n PRO 58 Ca 0.07 -1.40 -0.03 0.00 -0.04 0.00 0.00 63.50 62.10 1msp n PRO 58 Cb 0.60 -1.31 -0.02 0.00 -0.04 0.00 0.00 33.50 32.73 1msp n PRO 58 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1msp n GLY 60 N -0.01 0.70 3.01 0.00 0.00 0.40 -4.97 105.19 104.32 1msp n GLY 60 Ca 0.03 -0.76 -0.17 0.00 0.00 0.00 0.00 46.02 45.12 1msp n GLY 60 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1msp s VAL 61 N -2.12 0.60 -0.19 1.61 -7.23 -1.26 0.18 120.40 111.99 1msp s VAL 61 Ca 0.00 -0.49 -0.01 0.00 -1.81 0.00 0.00 61.98 59.67 1msp s VAL 61 Cb 0.00 -0.54 0.05 0.00 0.56 0.00 0.00 36.38 36.45 1msp s VAL 61 CO 0.00 0.05 -0.02 -0.22 -0.31 0.00 0.00 175.10 174.61 1msp s LEU 62 N -0.48 1.67 0.48 1.32 2.96 0.71 -4.97 118.68 120.37 1msp s LEU 62 Ca 0.01 -0.83 -0.24 0.00 -0.22 0.00 0.00 54.13 52.85 1msp s LEU 62 Cb -0.04 -0.85 -0.07 0.00 0.50 0.00 0.00 46.19 45.72 1msp s LEU 62 CO -0.00 -0.24 1.41 0.47 -1.32 0.00 0.00 176.35 176.67 1msp n ASP 63 N 4.89 3.10 -4.55 3.68 8.00 -1.26 -2.78 116.55 127.63 1msp n ASP 63 Ca -0.11 1.07 -0.47 0.00 0.71 0.00 0.00 54.79 55.99 1msp n ASP 63 Cb 0.47 -1.59 -0.03 0.00 -0.02 0.00 0.00 41.12 39.94 1msp n ASP 63 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1msp n PRO 64 N -0.48 1.02 -1.10 -0.24 -0.02 -1.26 -0.52 135.00 132.40 1msp n PRO 64 Ca 0.07 0.36 -0.04 0.00 -2.02 0.00 0.00 63.50 61.87 1msp n PRO 64 Cb 0.42 -1.72 -0.02 0.00 -0.02 0.00 0.00 33.50 32.17 1msp n PRO 64 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1msp n LYS 65 N 1.17 -0.77 -3.92 -0.52 5.02 0.38 -4.97 118.16 114.55 1msp n LYS 65 Ca 0.13 0.45 -0.32 0.00 -2.02 0.00 0.00 58.31 56.55 1msp n LYS 65 Cb 0.27 -4.19 -0.05 0.00 -0.02 0.00 0.00 35.03 31.05 1msp n LYS 65 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1msp s GLU 66 N -1.61 3.41 0.19 1.97 2.12 0.32 -4.86 118.70 120.25 1msp s GLU 66 Ca 0.00 -0.38 0.11 0.00 0.36 0.00 0.00 54.97 55.06 1msp s GLU 66 Cb 0.00 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 31.29 1msp s GLU 66 CO 0.00 0.65 -0.19 0.15 -0.54 0.00 0.00 175.26 175.33 1msp s LYS 67 N -2.15 1.70 0.02 4.30 1.02 -1.26 -2.08 119.74 121.29 1msp s LYS 67 Ca 0.30 -1.44 0.00 0.00 0.02 0.00 0.00 55.97 54.85 1msp s LYS 67 Cb -0.13 -1.95 -0.02 0.00 -0.52 0.00 0.00 37.83 35.21 1msp s LYS 67 CO 0.22 0.41 -0.03 0.54 -0.92 0.00 0.00 175.35 175.57 1msp s VAL 68 N -1.68 0.12 -0.20 3.17 0.11 0.24 -5.02 120.40 117.13 1msp s VAL 68 Ca 0.22 -0.90 0.01 0.00 -2.93 0.00 0.00 61.98 58.38 1msp s VAL 68 Cb -0.08 -0.26 0.05 0.00 -1.53 0.00 0.00 36.38 34.55 1msp s VAL 68 CO 0.12 -0.49 -0.09 -0.22 -3.33 0.00 0.00 175.10 171.09 1msp s LEU 69 N -1.43 2.30 0.02 2.54 2.96 -1.26 -0.39 118.68 123.42 1msp s LEU 69 Ca -0.16 -0.93 0.06 0.00 -0.22 0.00 0.00 54.13 52.88 1msp s LEU 69 Cb -0.10 -1.21 -0.03 0.00 0.50 0.00 0.00 46.19 45.35 1msp s LEU 69 CO -0.01 -0.16 -0.14 0.00 -1.32 0.00 0.00 176.35 174.71 1msp s MET 70 N 1.41 2.25 -0.61 1.98 0.00 -0.16 -4.72 119.30 119.45 1msp s MET 70 Ca -0.02 -0.88 -0.16 0.00 0.00 0.00 0.00 55.69 54.62 1msp s MET 70 Cb -0.17 -2.29 0.14 0.00 0.00 0.00 0.00 34.83 32.51 1msp s MET 70 CO -0.08 0.56 0.61 0.00 0.00 0.00 0.00 175.02 176.12 1msp s ALA 71 N -0.93 3.65 0.74 3.16 0.00 -1.01 0.25 121.76 127.62 1msp s ALA 71 Ca 0.15 -2.59 -0.11 0.00 0.00 0.00 0.00 51.96 49.41 1msp s ALA 71 Cb -0.11 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.65 1msp s ALA 71 CO 0.06 -2.17 1.08 0.08 0.00 0.00 0.00 175.76 174.80 1msp s VAL 72 N 1.68 3.67 -0.10 0.00 1.01 -0.82 -3.54 120.40 122.29 1msp s VAL 72 Ca 0.08 0.54 -0.11 0.00 0.00 0.00 0.00 61.98 62.50 1msp s VAL 72 Cb -0.25 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 33.00 1msp s VAL 72 CO 0.02 -0.71 0.29 -0.55 0.00 0.00 0.00 175.10 174.15 1msp s SER 73 N -3.60 -0.29 -0.11 3.32 0.15 -0.59 -2.16 113.70 110.42 1msp s SER 73 Ca 0.60 0.53 0.03 0.00 0.70 0.00 0.00 55.95 57.80 1msp s SER 73 Cb -0.16 0.57 0.01 0.00 -1.71 0.00 0.00 66.02 64.73 1msp s SER 73 CO 0.56 -0.15 -0.20 0.00 1.20 0.00 0.00 173.24 174.65 1msp s ASP 75 N 0.66 4.67 0.42 0.00 1.11 -0.61 -2.27 116.67 120.65 1msp s ASP 75 Ca -0.12 0.54 -0.24 0.00 0.18 0.00 0.00 52.55 52.92 1msp s ASP 75 Cb -0.16 -1.12 -0.09 0.00 1.07 0.00 0.00 42.92 42.62 1msp s ASP 75 CO 0.03 -1.73 1.07 0.42 1.18 0.00 0.00 175.17 176.14 1msp s THR 76 N -3.37 3.59 -0.07 -1.27 -4.23 -1.26 -4.88 115.64 104.16 1msp s THR 76 Ca 0.61 1.20 -0.29 0.00 -1.18 0.00 0.00 61.69 62.03 1msp s THR 76 Cb -0.11 -3.61 0.11 0.00 1.34 0.00 0.00 72.50 70.23 1msp s THR 76 CO 0.46 -0.01 0.90 0.72 -0.54 0.00 0.00 174.62 176.15 1msp s PHE 77 N -1.65 -0.40 -0.52 3.99 -0.12 -1.18 -5.07 117.98 113.03 1msp s PHE 77 Ca 0.60 0.50 -0.26 0.00 -0.05 0.00 0.00 56.93 57.72 1msp s PHE 77 Cb -0.23 0.49 0.03 0.00 -0.63 0.00 0.00 43.02 42.68 1msp s PHE 77 CO 0.29 -0.48 1.00 -0.80 -0.05 0.00 0.00 175.22 175.18 1msp s ASN 78 N -1.77 6.45 0.43 1.98 0.01 -1.26 -4.84 114.94 115.94 1msp s ASN 78 Ca 0.00 -0.01 0.29 0.00 -0.71 0.00 0.00 52.86 52.43 1msp s ASN 78 Cb -0.01 -2.47 1.07 0.00 0.41 0.00 0.00 41.25 40.25 1msp s ASN 78 CO -0.02 -1.21 1.84 0.00 -1.51 0.00 0.00 177.10 176.20 1msp h ALA 79 N 9.26 1.00 0.61 0.60 0.00 -1.94 -3.22 119.26 125.57 1msp h ALA 79 Ca -0.25 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1msp h ALA 79 Cb 1.07 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.87 1msp h ALA 79 CO 1.09 0.00 -0.29 0.00 0.00 0.00 0.00 179.25 180.05 1msp h ALA 80 N 2.11 -1.07 -0.90 0.00 0.00 -2.04 -3.36 119.26 113.99 1msp h ALA 80 Ca 0.00 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.78 1msp h ALA 80 Cb 0.57 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 1msp h ALA 80 CO 0.00 -1.01 0.59 1.79 0.00 0.00 0.00 179.25 180.62 1msp h THR 81 N -0.92 1.12 -2.18 0.00 1.35 -2.00 -3.47 112.91 106.81 1msp h THR 81 Ca -0.08 -0.37 -0.43 0.00 -0.55 0.00 0.00 66.41 64.97 1msp h THR 81 Cb 0.63 -0.07 0.04 0.00 -1.73 0.00 0.00 68.15 67.02 1msp h THR 81 CO 0.14 0.20 -0.10 -1.83 -0.25 0.00 0.00 175.52 173.67 1msp s GLU 82 N -5.94 2.62 -0.05 4.72 -1.05 -1.22 -5.07 118.70 112.73 1msp s GLU 82 Ca -0.12 -0.93 -0.30 0.00 -0.15 0.00 0.00 54.97 53.48 1msp s GLU 82 Cb 0.19 -2.57 -0.04 0.00 -0.44 0.00 0.00 34.13 31.28 1msp s GLU 82 CO 0.80 -0.58 1.23 0.34 0.95 0.00 0.00 175.26 178.00 1msp s ASP 83 N -4.40 7.02 0.00 0.83 -1.08 -1.26 -4.90 116.67 112.87 1msp s ASP 83 Ca 0.57 1.86 0.00 0.00 -0.52 0.00 0.00 52.55 54.46 1msp s ASP 83 Cb -0.10 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 1msp s ASP 83 CO 0.37 -0.61 0.60 0.18 0.52 0.00 0.00 175.17 176.23 1msp n LEU 84 N 5.24 1.11 -0.42 -1.34 4.77 -1.26 -4.58 117.00 120.53 1msp n LEU 84 Ca 0.11 -1.11 0.11 0.00 -0.03 0.00 0.00 56.01 55.09 1msp n LEU 84 Cb 0.46 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.52 1msp n LEU 84 CO 0.56 0.28 0.25 0.59 -1.33 0.00 0.00 177.39 177.73 1msp n ASN 85 N -0.16 1.86 -0.65 -1.43 4.13 -1.26 -4.46 115.26 113.28 1msp n ASN 85 Ca 0.00 -1.43 0.07 0.00 1.68 0.00 0.00 54.58 54.90 1msp n ASN 85 Cb 0.15 0.56 0.10 0.00 -1.54 0.00 0.00 39.78 39.05 1msp n ASN 85 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1msp n ASN 86 N -0.25 2.52 -4.83 6.41 3.02 -1.26 -5.02 115.26 115.84 1msp n ASN 86 Ca 0.08 -1.73 -0.32 0.00 -0.03 0.00 0.00 54.58 52.58 1msp n ASN 86 Cb 0.44 -0.10 -0.02 0.00 -0.61 0.00 0.00 39.78 39.50 1msp n ASN 86 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1msp s ASP 87 N -1.13 6.37 -0.02 6.41 1.11 -1.26 -4.93 116.67 123.22 1msp s ASP 87 Ca 0.21 1.62 -0.30 0.00 0.18 0.00 0.00 52.55 54.26 1msp s ASP 87 Cb 0.13 -2.51 0.10 0.00 1.07 0.00 0.00 42.92 41.71 1msp s ASP 87 CO 0.19 -0.76 1.02 -0.60 1.18 0.00 0.00 175.17 176.19 1msp s ARG 88 N -4.16 0.73 -0.03 8.23 3.52 -1.26 -2.66 118.95 123.31 1msp s ARG 88 Ca 0.60 -0.32 0.03 0.00 -0.13 0.00 0.00 55.73 55.90 1msp s ARG 88 Cb -0.12 0.30 0.00 0.00 -1.56 0.00 0.00 34.95 33.58 1msp s ARG 88 CO 0.35 -0.33 -0.12 0.42 -0.81 0.00 0.00 175.30 174.81 1msp s ILE 89 N -2.92 1.01 -0.08 4.11 1.01 0.25 -0.75 121.20 123.84 1msp s ILE 89 Ca 0.08 -0.48 0.03 0.00 0.00 0.00 0.00 60.65 60.29 1msp s ILE 89 Cb -0.00 -0.89 0.00 0.00 0.01 0.00 0.00 42.46 41.58 1msp s ILE 89 CO -0.05 0.31 -0.18 -0.89 0.00 0.00 0.00 174.94 174.12 1msp s THR 90 N 0.19 1.60 -0.07 2.92 2.01 0.62 0.30 115.64 123.21 1msp s THR 90 Ca -0.04 -0.76 0.03 0.00 0.31 0.00 0.00 61.69 61.23 1msp s THR 90 Cb -0.10 -1.40 -0.02 0.00 0.01 0.00 0.00 72.50 70.99 1msp s THR 90 CO 0.01 0.46 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.61 1msp s ILE 91 N 0.41 2.86 -0.03 1.82 1.01 0.41 0.17 121.20 127.84 1msp s ILE 91 Ca -0.15 -0.78 0.07 0.00 0.00 0.00 0.00 60.65 59.80 1msp s ILE 91 Cb -0.16 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 1msp s ILE 91 CO 0.06 0.57 -0.25 -1.83 0.00 0.00 0.00 174.94 173.49 1msp s GLU 92 N -0.31 2.21 0.13 2.79 -1.05 0.45 0.40 118.70 123.31 1msp s GLU 92 Ca 0.02 -0.88 -0.01 0.00 -0.15 0.00 0.00 54.97 53.95 1msp s GLU 92 Cb -0.13 -2.01 -0.04 0.00 -0.44 0.00 0.00 34.13 31.51 1msp s GLU 92 CO 0.03 0.47 0.06 1.67 0.95 0.00 0.00 175.26 178.43 1msp s TRP 93 N -0.40 0.88 -0.11 4.83 -2.14 0.69 -0.86 118.94 121.83 1msp s TRP 93 Ca 0.04 -1.24 -0.30 0.00 2.66 0.00 0.00 56.10 57.26 1msp s TRP 93 Cb -0.11 -0.49 0.10 0.00 -3.10 0.00 0.00 33.47 29.87 1msp s TRP 93 CO 0.01 -0.52 0.86 -0.08 -2.66 0.00 0.00 176.95 174.56 1msp s THR 94 N -4.05 0.00 0.48 0.66 -1.32 -0.68 0.18 115.64 110.91 1msp s THR 94 Ca 0.25 0.00 -0.23 0.00 -1.21 0.00 0.00 61.69 60.50 1msp s THR 94 Cb 0.07 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.98 1msp s THR 94 CO 0.02 0.00 1.15 0.59 -2.21 0.00 0.00 174.62 174.17 1msp n ASN 95 N 0.75 1.84 -4.85 8.08 3.02 -1.26 -0.95 115.26 121.89 1msp n ASN 95 Ca -0.14 1.00 -0.32 0.00 -0.03 0.00 0.00 54.58 55.09 1msp n ASN 95 Cb 0.58 -1.45 -0.05 0.00 -0.61 0.00 0.00 39.78 38.24 1msp n ASN 95 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1msp s THR 96 N -1.30 4.61 0.23 3.41 2.01 0.23 -4.68 115.64 120.15 1msp s THR 96 Ca 0.67 1.05 -0.30 0.00 0.31 0.00 0.00 61.69 63.42 1msp s THR 96 Cb -0.48 -3.64 -0.09 0.00 0.01 0.00 0.00 72.50 68.30 1msp s THR 96 CO 0.54 -0.34 0.99 -2.84 -0.69 0.00 0.00 174.62 172.29 1msp s PRO 97 N -3.31 4.77 -0.44 4.92 0.02 -1.26 -4.87 135.00 134.82 1msp s PRO 97 Ca 0.56 1.58 -0.21 0.00 0.02 0.00 0.00 61.00 62.96 1msp s PRO 97 Cb -0.10 -3.26 -0.12 0.00 0.02 0.00 0.00 34.50 31.04 1msp s PRO 97 CO 0.20 0.38 1.40 -0.25 -0.33 0.00 0.00 177.00 178.40 1msp n ASP 98 N 1.59 0.28 0.00 2.53 8.00 -1.26 -1.22 116.55 126.47 1msp n ASP 98 Ca -0.01 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.72 1msp n ASP 98 Cb 0.47 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 1msp n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1msp n GLY 99 N 3.96 0.78 3.71 0.44 0.00 -1.26 -5.08 105.19 107.73 1msp n GLY 99 Ca 0.35 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.03 1msp n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1msp s ALA 100 N -2.21 1.95 0.36 4.61 0.00 -0.36 -5.07 121.76 121.03 1msp s ALA 100 Ca 0.00 0.87 0.08 0.00 0.00 0.00 0.00 51.96 52.90 1msp s ALA 100 Cb 0.00 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 1msp s ALA 100 CO 0.00 -2.14 0.26 0.00 0.00 0.00 0.00 175.76 173.88 1msp s ALA 101 N -2.07 3.77 -0.66 0.00 0.00 -1.26 -4.99 121.76 116.54 1msp s ALA 101 Ca 0.74 -1.77 -0.27 0.00 0.00 0.00 0.00 51.96 50.66 1msp s ALA 101 Cb -0.29 -0.98 -0.26 0.00 0.00 0.00 0.00 23.12 21.59 1msp s ALA 101 CO 0.49 -0.03 1.87 0.36 0.00 0.00 0.00 175.76 178.44 1msp n LYS 102 N -1.33 0.47 -3.42 0.00 0.00 -1.26 -4.62 118.16 108.00 1msp n LYS 102 Ca -0.01 -1.58 0.01 0.00 -0.00 0.00 0.00 58.31 56.73 1msp n LYS 102 Cb 0.61 -3.24 -0.04 0.00 -0.00 0.00 0.00 35.03 32.35 1msp n LYS 102 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1msp s GLN 103 N 7.19 0.31 0.31 -1.58 -1.52 -1.26 -5.12 119.66 117.99 1msp s GLN 103 Ca 0.72 0.77 -0.27 0.00 -1.95 0.00 0.00 55.36 54.63 1msp s GLN 103 Cb 0.06 0.46 -0.09 0.00 -0.22 0.00 0.00 33.01 33.21 1msp s GLN 103 CO 0.23 -0.11 1.00 0.12 -0.25 0.00 0.00 175.29 176.28 1msp s PHE 104 N 2.46 3.65 -0.08 0.91 5.36 -1.26 -5.02 117.98 123.99 1msp s PHE 104 Ca -0.03 1.77 -0.02 0.00 -0.96 0.00 0.00 56.93 57.69 1msp s PHE 104 Cb -0.06 -3.06 0.03 0.00 -0.34 0.00 0.00 43.02 39.59 1msp s PHE 104 CO -0.18 -0.07 0.03 1.03 -1.46 0.00 0.00 175.22 174.57 1msp s ARG 105 N -1.82 0.37 0.21 10.12 3.00 -1.26 -5.05 118.95 124.52 1msp s ARG 105 Ca 0.48 0.13 -0.17 0.00 0.00 0.00 0.00 55.73 56.17 1msp s ARG 105 Cb -0.24 -1.00 0.20 0.00 0.00 0.00 0.00 34.95 33.90 1msp s ARG 105 CO 0.30 -0.37 1.59 0.07 0.00 0.00 0.00 175.30 176.89 1msp h ARG 106 N 8.36 -0.09 0.00 3.54 -0.00 -2.02 -2.12 114.38 122.05 1msp h ARG 106 Ca -0.17 0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.82 1msp h ARG 106 Cb 1.12 0.02 0.00 0.00 -0.00 0.00 0.00 29.97 31.12 1msp h ARG 106 CO 0.24 -0.06 0.88 0.39 -0.00 0.00 0.00 179.97 181.41 1msp n GLU 107 N -5.46 0.02 0.19 0.08 1.02 -1.26 0.20 120.64 115.43 1msp n GLU 107 Ca 0.07 0.74 0.14 0.00 -0.02 0.00 0.00 57.16 58.09 1msp n GLU 107 Cb 0.37 -2.39 0.52 0.00 -0.02 0.00 0.00 31.44 29.92 1msp n GLU 107 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 1msp h TRP 108 N 0.00 0.00 0.02 -0.32 6.55 -1.82 -3.02 115.95 117.36 1msp h TRP 108 Ca 0.00 0.00 -0.23 0.00 0.95 0.00 0.00 58.89 59.61 1msp h TRP 108 Cb 1.75 0.00 0.02 0.00 -0.86 0.00 0.00 29.16 30.07 1msp h TRP 108 CO 0.00 0.00 -0.92 0.74 -1.05 0.00 0.00 178.44 177.21 1msp h PHE 109 N 0.00 0.89 -3.38 0.49 -1.00 0.20 -3.41 116.94 110.72 1msp h PHE 109 Ca 0.00 -0.50 -0.60 0.00 2.81 0.00 0.00 57.97 59.69 1msp h PHE 109 Cb 0.53 -0.10 -0.09 0.00 3.61 0.00 0.00 35.95 39.91 1msp h PHE 109 CO 0.00 1.33 0.52 1.14 -1.61 0.00 0.00 178.31 179.69 1msp s GLN 110 N -3.22 4.01 0.00 1.51 0.00 -1.14 -4.89 119.66 115.93 1msp s GLN 110 Ca -0.11 0.75 0.00 0.00 -0.00 0.00 0.00 55.36 56.00 1msp s GLN 110 Cb 0.05 -3.72 0.00 0.00 0.00 0.00 0.00 33.01 29.34 1msp s GLN 110 CO 0.89 -0.72 0.00 0.41 0.00 0.00 0.00 175.29 175.87 1msp n GLY 111 N 4.06 -0.93 0.00 2.60 0.00 -1.26 -4.92 105.19 104.75 1msp n GLY 111 Ca 0.06 -0.91 0.11 0.00 0.00 0.00 0.00 46.02 45.28 1msp n GLY 111 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1msp n ASP 112 N 0.67 0.80 -4.67 1.61 8.00 -1.26 -4.96 116.55 116.74 1msp n ASP 112 Ca 0.00 -0.70 -0.32 0.00 0.71 0.00 0.00 54.79 54.48 1msp n ASP 112 Cb 0.00 0.82 0.15 0.00 -0.02 0.00 0.00 41.12 42.07 1msp n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1msp n GLY 113 N 1.48 -0.30 3.71 0.44 0.00 -1.26 -4.97 105.19 104.29 1msp n GLY 113 Ca 0.04 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 1msp n GLY 113 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1msp s MET 114 N -4.36 4.49 -0.10 1.61 1.00 -1.26 -5.05 119.30 115.63 1msp s MET 114 Ca 0.69 1.21 -0.01 0.00 0.00 0.00 0.00 55.69 57.58 1msp s MET 114 Cb -0.26 -3.47 -0.03 0.00 0.00 0.00 0.00 34.83 31.07 1msp s MET 114 CO 0.55 -0.06 -0.04 0.08 0.00 0.00 0.00 175.02 175.56 1msp s VAL 115 N 1.11 3.93 0.15 -6.03 1.01 -1.26 -4.45 120.40 114.85 1msp s VAL 115 Ca 0.46 -0.38 0.09 0.00 0.00 0.00 0.00 61.98 62.15 1msp s VAL 115 Cb -0.19 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 1msp s VAL 115 CO 0.23 0.57 -0.16 -0.13 0.00 0.00 0.00 175.10 175.60 1msp s ARG 116 N -0.44 1.82 -0.01 2.72 0.52 0.13 -4.94 118.95 118.75 1msp s ARG 116 Ca 0.07 -1.26 0.01 0.00 -0.52 0.00 0.00 55.73 54.03 1msp s ARG 116 Cb -0.12 -2.09 0.01 0.00 0.52 0.00 0.00 34.95 33.27 1msp s ARG 116 CO 0.02 0.45 -0.02 -0.98 0.02 0.00 0.00 175.30 174.80 1msp s ARG 117 N -2.42 0.25 -0.10 3.54 1.70 -1.26 -0.23 118.95 120.43 1msp s ARG 117 Ca 0.20 -0.06 0.02 0.00 -0.47 0.00 0.00 55.73 55.43 1msp s ARG 117 Cb -0.10 -0.28 0.01 0.00 -0.57 0.00 0.00 34.95 34.01 1msp s ARG 117 CO 0.12 0.01 -0.16 0.21 -1.08 0.00 0.00 175.30 174.40 1msp s LYS 118 N 0.20 2.22 -0.29 3.89 2.20 0.16 -4.96 119.74 123.17 1msp s LYS 118 Ca -0.02 -0.57 -0.13 0.00 -0.36 0.00 0.00 55.97 54.89 1msp s LYS 118 Cb -0.04 -1.87 -0.04 0.00 -1.51 0.00 0.00 37.83 34.37 1msp s LYS 118 CO -0.01 -0.04 0.30 -0.80 -0.36 0.00 0.00 175.35 174.45 1msp s ASN 119 N 0.91 6.15 -0.55 1.43 0.01 -1.26 -0.45 114.94 121.18 1msp s ASN 119 Ca -0.08 0.04 -0.06 0.00 -0.71 0.00 0.00 52.86 52.04 1msp s ASN 119 Cb -0.15 -2.17 0.14 0.00 0.41 0.00 0.00 41.25 39.48 1msp s ASN 119 CO -0.00 -0.17 0.39 -0.76 -1.51 0.00 0.00 177.10 175.05 1msp s LEU 120 N 1.93 5.57 0.61 0.60 1.43 0.15 -4.97 118.68 124.00 1msp s LEU 120 Ca 0.11 -2.34 -0.15 0.00 -1.03 0.00 0.00 54.13 50.71 1msp s LEU 120 Cb -0.16 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 1msp s LEU 120 CO 0.11 -0.54 1.06 -2.16 0.23 0.00 0.00 176.35 175.05 1msp s PRO 121 N 0.70 3.20 -0.15 1.29 0.04 -1.26 -0.59 135.00 138.24 1msp s PRO 121 Ca 0.11 1.20 -0.10 0.00 0.04 0.00 0.00 61.00 62.26 1msp s PRO 121 Cb -0.22 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 1msp s PRO 121 CO -0.03 -0.91 0.18 0.42 0.04 0.00 0.00 177.00 176.70 1msp s ILE 122 N -2.50 5.41 -0.12 0.56 -1.09 -1.09 -1.97 121.20 120.39 1msp s ILE 122 Ca 0.63 0.30 0.02 0.00 -2.23 0.00 0.00 60.65 59.38 1msp s ILE 122 Cb -0.16 -3.48 -0.00 0.00 -1.58 0.00 0.00 42.46 37.23 1msp s ILE 122 CO 0.40 0.52 -0.20 -0.70 -1.23 0.00 0.00 174.94 173.73 1msp s GLU 123 N -0.31 3.15 -0.30 2.79 2.12 -0.04 -4.62 118.70 121.48 1msp s GLU 123 Ca 0.13 -0.81 -0.10 0.00 0.36 0.00 0.00 54.97 54.56 1msp s GLU 123 Cb -0.12 -2.45 -0.01 0.00 0.26 0.00 0.00 34.13 31.80 1msp s GLU 123 CO 0.03 0.13 0.15 0.71 -0.54 0.00 0.00 175.26 175.74 1msp s TYR 124 N 0.51 3.18 -0.35 5.30 2.02 -1.26 0.78 117.35 127.52 1msp s TYR 124 Ca -0.13 -0.45 -0.16 0.00 -0.37 0.00 0.00 57.07 55.96 1msp s TYR 124 Cb -0.17 -2.35 -0.01 0.00 -0.40 0.00 0.00 41.96 39.03 1msp s TYR 124 CO 0.05 -0.41 0.38 1.21 -1.57 0.00 0.00 175.55 175.21 1msp s ASN 125 N 1.64 6.19 0.00 2.29 2.47 0.14 -4.95 114.94 122.72 1msp s ASN 125 Ca 0.05 -0.26 0.29 0.00 0.42 0.00 0.00 52.86 53.36 1msp s ASN 125 Cb -0.17 -2.20 1.35 0.00 -1.45 0.00 0.00 41.25 38.78 1msp s ASN 125 CO 0.07 -0.37 1.91 0.18 -3.72 0.00 0.00 177.10 175.18