#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2msp s VAL 4 N 0.00 2.29 0.29 -3.33 -7.23 -1.26 -5.01 120.40 106.14 2msp s VAL 4 Ca 0.00 -0.98 -0.27 0.00 -1.81 0.00 0.00 61.98 58.92 2msp s VAL 4 Cb 0.00 -1.86 -0.14 0.00 0.56 0.00 0.00 36.38 34.94 2msp s VAL 4 CO 0.00 0.57 0.88 -0.81 -0.31 0.00 0.00 175.10 175.43 2msp n PRO 5 N 2.98 1.04 -1.69 4.82 -0.04 -1.26 -4.86 135.00 135.99 2msp n PRO 5 Ca -0.18 0.37 -0.30 0.00 -0.04 0.00 0.00 63.50 63.35 2msp n PRO 5 Cb 0.52 -1.67 0.06 0.00 -0.04 0.00 0.00 33.50 32.38 2msp n PRO 5 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2msp s PRO 6 N -1.48 2.58 0.75 0.54 0.05 -1.26 -5.02 135.00 131.17 2msp s PRO 6 Ca 0.60 0.64 -0.10 0.00 0.05 0.00 0.00 61.00 62.18 2msp s PRO 6 Cb -0.73 -1.97 0.06 0.00 0.05 0.00 0.00 34.50 31.91 2msp s PRO 6 CO 0.59 -1.27 1.11 0.20 0.05 0.00 0.00 177.00 177.68 2msp s GLY 7 N -4.06 1.62 0.53 0.56 0.00 -1.26 -5.06 107.32 99.65 2msp s GLY 7 Ca 0.59 -0.64 -0.06 0.00 0.00 0.00 0.00 44.72 44.61 2msp s GLY 7 CO 0.54 -0.20 0.84 0.51 0.00 0.00 0.00 173.10 174.78 2msp s ASP 8 N -4.51 5.97 0.31 1.64 1.47 -1.26 -4.76 116.67 115.54 2msp s ASP 8 Ca 0.60 0.84 0.11 0.00 1.18 0.00 0.00 52.55 55.29 2msp s ASP 8 Cb -0.11 -2.01 -0.06 0.00 -0.34 0.00 0.00 42.92 40.40 2msp s ASP 8 CO 0.49 -0.79 -0.15 0.27 0.68 0.00 0.00 175.17 175.66 2msp s ILE 9 N -2.86 2.35 -0.06 2.11 -4.36 -1.26 -1.55 121.20 115.58 2msp s ILE 9 Ca 0.50 -2.32 0.05 0.00 -0.26 0.00 0.00 60.65 58.63 2msp s ILE 9 Cb -0.10 -2.44 -0.02 0.00 1.25 0.00 0.00 42.46 41.14 2msp s ILE 9 CO 0.45 -0.32 -0.21 0.20 0.24 0.00 0.00 174.94 175.30 2msp s ASN 10 N -3.55 3.43 0.13 4.36 0.01 0.88 -4.87 114.94 115.33 2msp s ASN 10 Ca 0.31 -0.40 0.09 0.00 -0.71 0.00 0.00 52.86 52.15 2msp s ASN 10 Cb -0.02 -0.82 -0.04 0.00 0.41 0.00 0.00 41.25 40.78 2msp s ASN 10 CO 0.15 0.28 -0.21 0.42 -1.51 0.00 0.00 177.10 176.24 2msp s THR 11 N -0.35 1.81 -0.16 1.60 -4.23 -1.26 -0.03 115.64 113.01 2msp s THR 11 Ca 0.03 -1.69 -0.02 0.00 -1.18 0.00 0.00 61.69 58.83 2msp s THR 11 Cb -0.12 -1.69 0.05 0.00 1.34 0.00 0.00 72.50 72.07 2msp s THR 11 CO 0.02 -0.13 0.00 -1.10 -0.54 0.00 0.00 174.62 172.88 2msp s GLN 12 N -2.21 0.86 1.42 3.99 -0.21 -0.84 -2.50 119.66 120.17 2msp s GLN 12 Ca 0.10 -0.35 -0.24 0.00 0.02 0.00 0.00 55.36 54.89 2msp s GLN 12 Cb -0.09 -1.86 0.37 0.00 1.00 0.00 0.00 33.01 32.43 2msp s GLN 12 CO 0.05 -0.52 0.90 -0.35 -2.12 0.00 0.00 175.29 173.26 2msp n PRO 13 N 5.02 -4.59 -1.74 2.91 -0.04 -1.26 -1.29 135.00 134.00 2msp n PRO 13 Ca -0.09 -1.50 -0.06 0.00 -0.04 0.00 0.00 63.50 61.80 2msp n PRO 13 Cb 0.48 -1.84 0.08 0.00 -0.04 0.00 0.00 33.50 32.17 2msp n PRO 13 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2msp n GLY 14 N -5.59 4.18 0.00 0.55 0.00 -1.04 -4.82 105.19 98.47 2msp n GLY 14 Ca 0.14 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.50 2msp n GLY 14 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2msp n SER 15 N -0.60 0.00 -2.11 1.61 7.64 -1.26 -4.97 113.62 113.93 2msp n SER 15 Ca 0.23 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.09 2msp n SER 15 Cb 0.89 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 64.10 2msp n SER 15 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2msp n LYS 16 N -0.44 0.38 -3.67 1.43 2.85 -1.26 -4.20 118.16 113.24 2msp n LYS 16 Ca 0.00 -0.83 -0.09 0.00 -1.05 0.00 0.00 58.31 56.34 2msp n LYS 16 Cb 0.00 1.10 -0.10 0.00 -0.65 0.00 0.00 35.03 35.39 2msp n LYS 16 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 177.40 175.85 2msp s ILE 17 N -2.36 -0.24 -0.15 0.58 -1.16 -0.17 -4.62 121.20 113.08 2msp s ILE 17 Ca 0.11 0.10 -0.06 0.00 -0.51 0.00 0.00 60.65 60.28 2msp s ILE 17 Cb -0.02 -0.70 -0.04 0.00 0.61 0.00 0.00 42.46 42.31 2msp s ILE 17 CO 0.03 0.04 0.08 -0.69 -2.81 0.00 0.00 174.94 171.59 2msp s VAL 18 N 1.84 4.93 -0.22 4.00 1.01 -1.26 -0.42 120.40 130.28 2msp s VAL 18 Ca -0.07 0.00 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 2msp s VAL 18 Cb -0.09 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 2msp s VAL 18 CO -0.14 0.53 -0.01 -0.36 0.00 0.00 0.00 175.10 175.12 2msp s PHE 19 N -0.25 2.99 -0.04 5.22 0.40 0.11 -4.95 117.98 121.47 2msp s PHE 19 Ca 0.09 -0.74 -0.13 0.00 -0.60 0.00 0.00 56.93 55.54 2msp s PHE 19 Cb -0.12 -2.13 -0.05 0.00 0.51 0.00 0.00 43.02 41.23 2msp s PHE 19 CO 0.01 -0.45 0.34 -0.80 0.70 0.00 0.00 175.22 175.02 2msp s ASN 20 N 1.41 6.69 1.15 1.36 0.01 -1.26 0.23 114.94 124.53 2msp s ASN 20 Ca 0.05 0.82 -0.17 0.00 -0.71 0.00 0.00 52.86 52.85 2msp s ASN 20 Cb -0.14 -2.21 0.26 0.00 0.41 0.00 0.00 41.25 39.57 2msp s ASN 20 CO -0.01 0.32 1.09 0.00 -1.51 0.00 0.00 177.10 177.00 2msp s ALA 21 N -0.93 0.57 0.48 0.60 0.00 0.10 -4.71 121.76 117.88 2msp s ALA 21 Ca 0.21 -0.73 -0.12 0.00 0.00 0.00 0.00 51.96 51.32 2msp s ALA 21 Cb -0.15 -2.98 -0.06 0.00 0.00 0.00 0.00 23.12 19.93 2msp s ALA 21 CO 0.11 -3.43 0.89 -1.25 0.00 0.00 0.00 175.76 172.07 2msp s PRO 22 N -5.21 3.80 -0.97 0.00 0.04 -1.26 -5.05 135.00 126.35 2msp s PRO 22 Ca 0.69 0.67 -0.01 0.00 0.04 0.00 0.00 61.00 62.39 2msp s PRO 22 Cb -0.13 -2.25 0.31 0.00 0.04 0.00 0.00 34.50 32.47 2msp s PRO 22 CO 0.57 -0.22 1.54 0.66 0.04 0.00 0.00 177.00 179.59 2msp n TYR 23 N -1.70 2.77 -1.83 0.56 4.01 -1.26 -4.51 117.16 115.20 2msp n TYR 23 Ca 0.04 -2.83 0.05 0.00 -0.16 0.00 0.00 57.90 55.00 2msp n TYR 23 Cb 0.54 -1.10 0.09 0.00 -0.31 0.00 0.00 39.34 38.56 2msp n TYR 23 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 2msp n ASP 24 N 0.48 1.20 -3.57 7.72 5.68 -1.26 -3.15 116.55 123.64 2msp n ASP 24 Ca 0.37 -2.68 -0.16 0.00 -0.50 0.00 0.00 54.79 51.82 2msp n ASP 24 Cb 0.31 -0.35 -0.06 0.00 -1.14 0.00 0.00 41.12 39.87 2msp n ASP 24 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2msp s ASP 25 N -2.21 -0.66 -0.28 -1.12 -1.08 -1.26 -4.91 116.67 105.15 2msp s ASP 25 Ca 0.25 0.96 -0.28 0.00 -0.52 0.00 0.00 52.55 52.96 2msp s ASP 25 Cb 0.25 0.87 -0.04 0.00 -1.46 0.00 0.00 42.92 42.54 2msp s ASP 25 CO -0.05 -0.44 2.13 -0.75 0.52 0.00 0.00 175.17 176.58 2msp s LYS 26 N -0.55 3.07 0.06 4.34 2.20 -1.26 -4.46 119.74 123.15 2msp s LYS 26 Ca -0.06 1.81 -0.08 0.00 -0.36 0.00 0.00 55.97 57.28 2msp s LYS 26 Cb -0.02 -4.35 -0.05 0.00 -1.51 0.00 0.00 37.83 31.89 2msp s LYS 26 CO 0.05 -2.17 0.35 -1.58 -0.36 0.00 0.00 175.35 171.65 2msp s HIS 27 N 8.34 3.57 -0.33 4.03 2.46 -0.70 -4.90 115.29 127.77 2msp s HIS 27 Ca 0.95 0.69 0.03 0.00 0.47 0.00 0.00 55.06 57.19 2msp s HIS 27 Cb -0.29 -2.08 0.10 0.00 -0.13 0.00 0.00 32.58 30.18 2msp s HIS 27 CO 0.34 0.54 0.06 0.99 -2.47 0.00 0.00 174.74 174.20 2msp s THR 28 N -1.39 1.92 0.68 0.89 2.01 -1.26 -1.26 115.64 117.23 2msp s THR 28 Ca 0.32 -2.10 -0.02 0.00 0.31 0.00 0.00 61.69 60.21 2msp s THR 28 Cb -0.13 -2.42 0.10 0.00 0.01 0.00 0.00 72.50 70.05 2msp s THR 28 CO 0.18 -0.61 0.95 -0.31 -0.69 0.00 0.00 174.62 174.14 2msp s TYR 29 N 1.09 2.11 0.17 4.92 1.51 0.11 -4.88 117.35 122.38 2msp s TYR 29 Ca 0.10 -0.09 0.06 0.00 -1.01 0.00 0.00 57.07 56.14 2msp s TYR 29 Cb -0.19 -3.00 -0.04 0.00 -0.11 0.00 0.00 41.96 38.62 2msp s TYR 29 CO -0.12 -1.48 -0.13 -1.01 -1.11 0.00 0.00 175.55 171.69 2msp s HIS 30 N -3.08 1.49 0.01 2.71 3.76 -1.26 -0.59 115.29 118.33 2msp s HIS 30 Ca 0.63 -0.64 0.01 0.00 -0.15 0.00 0.00 55.06 54.92 2msp s HIS 30 Cb -0.07 -0.73 -0.01 0.00 1.11 0.00 0.00 32.58 32.88 2msp s HIS 30 CO 0.43 0.22 -0.04 0.42 -0.85 0.00 0.00 174.74 174.92 2msp s ILE 31 N -2.93 0.29 -0.25 0.60 1.01 0.15 -4.65 121.20 115.42 2msp s ILE 31 Ca 0.18 -0.52 -0.06 0.00 0.00 0.00 0.00 60.65 60.25 2msp s ILE 31 Cb -0.00 -0.32 -0.01 0.00 0.01 0.00 0.00 42.46 42.14 2msp s ILE 31 CO 0.04 -0.15 0.03 -0.75 0.00 0.00 0.00 174.94 174.10 2msp s LYS 32 N -0.72 3.37 -0.18 2.79 2.20 -0.41 -0.13 119.74 126.66 2msp s LYS 32 Ca -0.05 -0.65 -0.08 0.00 -0.36 0.00 0.00 55.97 54.83 2msp s LYS 32 Cb -0.05 -3.21 -0.04 0.00 -1.51 0.00 0.00 37.83 33.01 2msp s LYS 32 CO -0.00 -0.27 0.07 0.42 -0.36 0.00 0.00 175.35 175.21 2msp s ILE 33 N 1.53 4.91 -0.06 5.43 1.01 0.21 -1.99 121.20 132.24 2msp s ILE 33 Ca 0.05 0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.73 2msp s ILE 33 Cb -0.15 -3.21 0.02 0.00 0.01 0.00 0.00 42.46 39.12 2msp s ILE 33 CO 0.01 0.47 -0.10 -0.89 0.00 0.00 0.00 174.94 174.43 2msp s THR 34 N 0.22 0.93 -0.87 2.92 2.01 0.95 0.22 115.64 122.03 2msp s THR 34 Ca 0.05 -0.36 -0.25 0.00 0.31 0.00 0.00 61.69 61.44 2msp s THR 34 Cb -0.12 -0.87 0.03 0.00 0.01 0.00 0.00 72.50 71.55 2msp s THR 34 CO 0.00 0.31 1.42 0.21 -0.69 0.00 0.00 174.62 175.87 2msp s ASN 35 N 0.70 6.21 0.33 3.53 3.84 -0.39 -0.08 114.94 129.07 2msp s ASN 35 Ca -0.13 -0.86 0.26 0.00 0.21 0.00 0.00 52.86 52.34 2msp s ASN 35 Cb -0.15 -2.56 0.91 0.00 -0.55 0.00 0.00 41.25 38.90 2msp s ASN 35 CO 0.02 -1.77 1.77 0.00 -2.79 0.00 0.00 177.10 174.33 2msp h ALA 36 N 10.27 1.00 -2.02 1.71 0.00 -1.60 0.44 119.26 129.05 2msp h ALA 36 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.46 2msp h ALA 36 Cb 1.04 0.00 0.20 0.00 0.00 0.00 0.00 17.79 19.02 2msp h ALA 36 CO 1.34 0.00 0.08 0.20 0.00 0.00 0.00 179.25 180.87 2msp s GLY 37 N -3.79 1.54 -0.22 0.00 0.00 -1.03 -4.78 107.32 99.04 2msp s GLY 37 Ca 0.06 -0.87 -0.04 0.00 0.00 0.00 0.00 44.72 43.87 2msp s GLY 37 CO 0.53 0.03 -0.06 0.61 0.00 0.00 0.00 173.10 174.20 2msp n GLY 38 N -0.41 -0.46 3.95 0.20 0.00 -1.26 -4.23 105.19 102.98 2msp n GLY 38 Ca 0.12 -0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 2msp n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2msp s ARG 39 N -2.52 3.31 1.11 1.61 0.52 -1.26 -4.75 118.95 116.96 2msp s ARG 39 Ca -0.32 -0.45 -0.17 0.00 -0.52 0.00 0.00 55.73 54.27 2msp s ARG 39 Cb 0.09 -2.64 0.15 0.00 0.52 0.00 0.00 34.95 33.07 2msp s ARG 39 CO 0.63 -0.00 0.18 0.54 0.02 0.00 0.00 175.30 176.66 2msp n ARG 40 N -1.87 -2.14 -3.59 3.54 1.74 -1.26 -4.52 116.66 108.55 2msp n ARG 40 Ca -0.02 -0.62 -0.11 0.00 -0.77 0.00 0.00 57.85 56.33 2msp n ARG 40 Cb 0.57 -1.62 -0.04 0.00 -1.02 0.00 0.00 32.46 30.35 2msp n ARG 40 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2msp s ILE 41 N -2.16 0.06 -0.06 0.55 -4.36 -0.60 -3.67 121.20 110.95 2msp s ILE 41 Ca 0.49 -0.46 0.04 0.00 -0.26 0.00 0.00 60.65 60.46 2msp s ILE 41 Cb -0.09 -1.13 0.00 0.00 1.25 0.00 0.00 42.46 42.49 2msp s ILE 41 CO 0.52 -0.25 -0.17 -0.83 0.24 0.00 0.00 174.94 174.45 2msp s GLY 42 N -2.77 0.99 0.05 6.27 0.00 0.16 -1.60 107.32 110.41 2msp s GLY 42 Ca 0.02 -0.68 0.02 0.00 0.00 0.00 0.00 44.72 44.08 2msp s GLY 42 CO -0.12 -0.23 -0.07 0.66 0.00 0.00 0.00 173.10 173.34 2msp s TRP 43 N 0.27 0.65 0.01 1.90 1.48 0.21 -0.87 118.94 122.59 2msp s TRP 43 Ca -0.10 -0.57 -0.13 0.00 -1.06 0.00 0.00 56.10 54.25 2msp s TRP 43 Cb -0.14 -0.39 0.02 0.00 -1.16 0.00 0.00 33.47 31.79 2msp s TRP 43 CO 0.04 -0.11 0.27 0.00 -4.06 0.00 0.00 176.95 173.09 2msp s ALA 44 N -1.71 -0.65 -0.06 2.67 0.00 0.25 0.44 121.76 122.69 2msp s ALA 44 Ca -0.08 0.13 -0.01 0.00 0.00 0.00 0.00 51.96 52.00 2msp s ALA 44 Cb -0.08 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 2msp s ALA 44 CO -0.01 -0.30 0.02 0.42 0.00 0.00 0.00 175.76 175.90 2msp s ILE 45 N -1.74 4.42 -0.03 0.00 -1.09 0.07 -0.84 121.20 122.00 2msp s ILE 45 Ca -0.11 -0.30 0.01 0.00 -2.23 0.00 0.00 60.65 58.02 2msp s ILE 45 Cb -0.04 -2.90 0.01 0.00 -1.58 0.00 0.00 42.46 37.95 2msp s ILE 45 CO 0.01 0.53 -0.05 -0.75 -1.23 0.00 0.00 174.94 173.46 2msp s LYS 46 N -1.12 0.68 0.23 2.79 2.20 0.73 -4.96 119.74 120.30 2msp s LYS 46 Ca 0.16 -0.13 0.02 0.00 -0.36 0.00 0.00 55.97 55.66 2msp s LYS 46 Cb -0.11 -0.69 0.02 0.00 -1.51 0.00 0.00 37.83 35.54 2msp s LYS 46 CO 0.05 -0.01 0.20 0.25 -0.36 0.00 0.00 175.35 175.48 2msp n THR 47 N 3.67 0.00 0.14 3.43 -2.24 -1.26 0.14 114.28 118.15 2msp n THR 47 Ca -0.22 -0.90 0.02 0.00 -2.27 0.00 0.00 64.05 60.68 2msp n THR 47 Cb 0.53 -0.39 0.03 0.00 -2.10 0.00 0.00 70.33 68.40 2msp n THR 47 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2msp n THR 48 N -1.13 0.20 -3.12 4.28 -1.04 -1.21 -4.79 114.28 107.47 2msp n THR 48 Ca 0.00 -0.60 -0.18 0.00 -2.04 0.00 0.00 64.05 61.24 2msp n THR 48 Cb 0.26 0.98 -0.05 0.00 -1.82 0.00 0.00 70.33 69.70 2msp n THR 48 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2msp n ASN 49 N 0.20 -1.67 -0.00 8.00 2.85 -1.26 -4.93 115.26 118.44 2msp n ASN 49 Ca 0.03 -2.62 0.21 0.00 -0.11 0.00 0.00 54.58 52.09 2msp n ASN 49 Cb 0.16 0.39 0.71 0.00 1.24 0.00 0.00 39.78 42.28 2msp n ASN 49 CO 0.00 0.00 0.00 0.24 -2.11 0.00 0.00 177.26 175.39 2msp h MET 50 N 5.28 0.00 0.03 1.20 2.86 -1.86 0.72 114.93 123.15 2msp h MET 50 Ca 0.17 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2msp h MET 50 Cb 0.99 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.65 2msp h MET 50 CO 0.24 0.00 -0.01 0.00 1.06 0.00 0.00 176.91 178.19 2msp h ARG 51 N 0.00 -0.04 0.00 1.72 3.08 -2.01 -3.39 114.38 113.74 2msp h ARG 51 Ca 0.26 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.22 2msp h ARG 51 Cb 1.08 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 2msp h ARG 51 CO -0.00 0.32 -0.63 -0.09 -1.07 0.00 0.00 179.97 178.50 2msp h ARG 52 N -0.40 0.00 -7.14 0.04 2.43 -1.75 -3.47 114.38 104.09 2msp h ARG 52 Ca -0.00 0.00 -0.45 0.00 -0.81 0.00 0.00 59.98 58.72 2msp h ARG 52 Cb 0.37 0.00 0.07 0.00 -0.42 0.00 0.00 29.97 29.99 2msp h ARG 52 CO 0.01 0.57 0.14 -0.51 -1.51 0.00 0.00 179.97 178.66 2msp s LEU 53 N -8.14 2.97 -0.22 3.80 1.43 0.17 -2.13 118.68 116.57 2msp s LEU 53 Ca -0.19 0.30 -0.25 0.00 -1.03 0.00 0.00 54.13 52.96 2msp s LEU 53 Cb 0.02 -3.03 0.07 0.00 0.03 0.00 0.00 46.19 43.28 2msp s LEU 53 CO 0.42 -1.44 0.68 -0.83 0.23 0.00 0.00 176.35 175.40 2msp s GLY 54 N -4.49 -0.52 0.29 -3.19 0.00 -1.09 -4.63 107.32 93.69 2msp s GLY 54 Ca 0.59 1.80 0.07 0.00 0.00 0.00 0.00 44.72 47.18 2msp s GLY 54 CO 0.43 1.52 -0.06 0.14 0.00 0.00 0.00 173.10 175.13 2msp s VAL 55 N 0.05 1.69 0.00 1.40 1.01 -1.26 -1.27 120.40 122.02 2msp s VAL 55 Ca -0.02 -2.13 0.00 0.00 0.00 0.00 0.00 61.98 59.83 2msp s VAL 55 Cb -0.04 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.85 2msp s VAL 55 CO 0.03 -0.27 0.00 -0.67 0.00 0.00 0.00 175.10 174.18 2msp n ASP 56 N -0.61 0.00 -4.82 3.32 2.03 -1.20 -4.53 116.55 110.74 2msp n ASP 56 Ca -0.05 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.93 2msp n ASP 56 Cb 0.64 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 41.00 2msp n ASP 56 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2msp s PRO 57 N 0.00 3.92 0.00 -0.67 0.04 -1.26 -1.43 135.00 135.60 2msp s PRO 57 Ca 0.00 1.13 0.28 0.00 0.04 0.00 0.00 61.00 62.45 2msp s PRO 57 Cb 0.00 -2.13 1.03 0.00 0.04 0.00 0.00 34.50 33.45 2msp s PRO 57 CO 0.00 -0.30 1.78 -0.35 0.04 0.00 0.00 177.00 178.16 2msp n PRO 58 N -1.21 0.05 -3.56 0.56 -0.05 -1.26 -4.88 135.00 124.65 2msp n PRO 58 Ca 0.08 -0.01 -0.09 0.00 -0.05 0.00 0.00 63.50 63.42 2msp n PRO 58 Cb 0.54 -1.50 -0.04 0.00 -0.05 0.00 0.00 33.50 32.45 2msp n PRO 58 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 175.50 173.91 2msp s SER 59 N -2.96 -0.33 0.04 3.54 1.04 -1.26 -0.75 113.70 113.03 2msp s SER 59 Ca 0.14 0.25 -0.09 0.00 0.48 0.00 0.00 55.95 56.73 2msp s SER 59 Cb 0.19 0.30 0.03 0.00 0.10 0.00 0.00 66.02 66.64 2msp s SER 59 CO 0.57 -0.39 0.43 0.61 0.98 0.00 0.00 173.24 175.44 2msp n GLY 60 N 0.40 0.85 3.28 7.32 0.00 0.17 -4.89 105.19 112.31 2msp n GLY 60 Ca -0.08 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 2msp n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2msp s VAL 61 N -2.28 2.17 -0.06 1.61 1.01 -1.26 0.65 120.40 122.24 2msp s VAL 61 Ca 0.10 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.07 2msp s VAL 61 Cb -0.01 -1.80 0.02 0.00 0.00 0.00 0.00 36.38 34.59 2msp s VAL 61 CO 0.01 0.57 -0.07 -0.76 0.00 0.00 0.00 175.10 174.85 2msp s LEU 62 N -0.06 1.36 0.00 3.92 1.02 -0.63 -4.97 118.68 119.33 2msp s LEU 62 Ca -0.06 -0.20 -0.03 0.00 0.02 0.00 0.00 54.13 53.86 2msp s LEU 62 Cb -0.15 -0.61 0.04 0.00 0.02 0.00 0.00 46.19 45.49 2msp s LEU 62 CO 0.05 -0.04 0.14 0.47 0.02 0.00 0.00 176.35 176.99 2msp n ASP 63 N 4.16 -1.35 -4.83 2.29 8.00 -1.26 -1.55 116.55 122.00 2msp n ASP 63 Ca -0.21 -0.50 -0.34 0.00 0.71 0.00 0.00 54.79 54.44 2msp n ASP 63 Cb 0.51 -0.14 -0.06 0.00 -0.02 0.00 0.00 41.12 41.41 2msp n ASP 63 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2msp s PRO 64 N -3.33 4.16 0.00 -0.24 0.04 -1.26 -3.36 135.00 131.02 2msp s PRO 64 Ca 0.09 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.00 2msp s PRO 64 Cb -0.01 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.99 2msp s PRO 64 CO 0.07 0.20 0.00 0.43 0.04 0.00 0.00 177.00 177.74 2msp n SER 65 N -0.04 0.00 -4.88 6.66 7.64 0.15 -4.95 113.62 118.20 2msp n SER 65 Ca 0.02 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.61 2msp n SER 65 Cb 0.52 -1.70 0.02 0.00 -1.01 0.00 0.00 64.21 62.05 2msp n SER 65 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2msp s GLU 66 N -0.68 3.34 0.06 1.43 2.12 -1.21 -4.79 118.70 118.97 2msp s GLU 66 Ca 0.00 0.50 -0.07 0.00 0.36 0.00 0.00 54.97 55.76 2msp s GLU 66 Cb 0.00 -2.14 -0.01 0.00 0.26 0.00 0.00 34.13 32.24 2msp s GLU 66 CO 0.00 -0.63 0.14 -1.59 -0.54 0.00 0.00 175.26 172.64 2msp s LYS 67 N -5.12 0.73 0.04 4.30 -2.85 -1.26 -1.26 119.74 114.32 2msp s LYS 67 Ca 0.54 -0.91 -0.03 0.00 -1.00 0.00 0.00 55.97 54.58 2msp s LYS 67 Cb -0.11 0.29 -0.02 0.00 -2.06 0.00 0.00 37.83 35.93 2msp s LYS 67 CO 0.51 -0.21 0.02 0.54 0.10 0.00 0.00 175.35 176.31 2msp s VAL 68 N -3.42 0.17 -0.33 1.79 0.11 0.13 -4.96 120.40 113.89 2msp s VAL 68 Ca 0.02 -1.37 0.01 0.00 -2.93 0.00 0.00 61.98 57.71 2msp s VAL 68 Cb 0.03 -1.07 0.08 0.00 -1.53 0.00 0.00 36.38 33.89 2msp s VAL 68 CO -0.08 -0.76 0.03 -0.22 -3.33 0.00 0.00 175.10 170.74 2msp s LEU 69 N -2.39 4.39 0.12 2.54 2.96 -1.26 0.67 118.68 125.71 2msp s LEU 69 Ca -0.01 -1.80 0.04 0.00 -0.22 0.00 0.00 54.13 52.14 2msp s LEU 69 Cb 0.02 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 2msp s LEU 69 CO -0.07 -0.34 0.08 0.00 -1.32 0.00 0.00 176.35 174.70 2msp s MET 70 N 1.05 2.79 -0.26 1.98 0.23 0.81 -4.77 119.30 121.14 2msp s MET 70 Ca 0.03 -0.81 -0.09 0.00 -1.03 0.00 0.00 55.69 53.79 2msp s MET 70 Cb -0.20 -2.64 -0.04 0.00 -1.53 0.00 0.00 34.83 30.42 2msp s MET 70 CO -0.05 0.52 0.12 0.00 -2.03 0.00 0.00 175.02 173.58 2msp s ALA 71 N -1.52 3.33 -0.06 3.16 0.00 -0.51 0.32 121.76 126.47 2msp s ALA 71 Ca 0.29 -1.09 -0.12 0.00 0.00 0.00 0.00 51.96 51.04 2msp s ALA 71 Cb -0.11 -2.23 -0.05 0.00 0.00 0.00 0.00 23.12 20.73 2msp s ALA 71 CO 0.22 -0.47 0.31 0.08 0.00 0.00 0.00 175.76 175.90 2msp s VAL 72 N 1.59 5.22 0.23 0.00 1.01 0.24 -3.22 120.40 125.46 2msp s VAL 72 Ca 0.06 0.61 0.10 0.00 0.00 0.00 0.00 61.98 62.76 2msp s VAL 72 Cb -0.15 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2msp s VAL 72 CO 0.06 0.56 -0.12 -0.44 0.00 0.00 0.00 175.10 175.16 2msp s SER 73 N -0.79 4.04 -0.14 3.32 0.01 -0.40 0.08 113.70 119.82 2msp s SER 73 Ca 0.20 -0.75 -0.04 0.00 1.31 0.00 0.00 55.95 56.68 2msp s SER 73 Cb -0.15 -0.58 0.06 0.00 0.21 0.00 0.00 66.02 65.57 2msp s SER 73 CO 0.09 0.07 0.15 0.00 0.41 0.00 0.00 173.24 173.96 2msp s ASP 75 N 2.25 4.40 0.90 0.00 2.15 -0.90 -1.71 116.67 123.75 2msp s ASP 75 Ca 0.04 0.91 -0.10 0.00 0.43 0.00 0.00 52.55 53.83 2msp s ASP 75 Cb -0.14 -1.49 0.13 0.00 -0.30 0.00 0.00 42.92 41.12 2msp s ASP 75 CO -0.08 -1.99 1.14 0.42 -0.17 0.00 0.00 175.17 174.49 2msp s THR 76 N -3.44 2.26 0.00 1.71 -4.23 -1.26 -4.87 115.64 105.81 2msp s THR 76 Ca 0.62 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 61.21 2msp s THR 76 Cb -0.12 -2.18 0.00 0.00 1.34 0.00 0.00 72.50 71.54 2msp s THR 76 CO 0.51 -0.11 0.00 2.22 -0.54 0.00 0.00 174.62 176.70 2msp n PHE 77 N -4.13 0.00 -3.40 3.99 -1.74 -1.19 -5.03 117.46 105.96 2msp n PHE 77 Ca 0.11 0.00 -0.26 0.00 -0.56 0.00 0.00 57.45 56.74 2msp n PHE 77 Cb 0.52 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.43 2msp n PHE 77 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 2msp n ASN 78 N 0.00 0.41 0.20 5.98 2.85 -1.26 -4.83 115.26 118.61 2msp n ASN 78 Ca 0.00 -2.63 0.01 0.00 -0.11 0.00 0.00 54.58 51.85 2msp n ASN 78 Cb 0.00 -0.61 0.05 0.00 1.24 0.00 0.00 39.78 40.46 2msp n ASN 78 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2msp h ALA 79 N 5.07 1.58 -0.06 5.20 0.00 -1.92 0.63 119.26 129.75 2msp h ALA 79 Ca 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2msp h ALA 79 Cb 0.87 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2msp h ALA 79 CO 0.47 -0.58 -0.10 0.00 0.00 0.00 0.00 179.25 179.04 2msp h ALA 80 N 0.14 0.10 0.00 0.00 0.00 -2.01 -3.40 119.26 114.08 2msp h ALA 80 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2msp h ALA 80 Cb 1.51 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2msp h ALA 80 CO 0.00 -0.05 -0.17 1.79 0.00 0.00 0.00 179.25 180.82 2msp h THR 81 N -0.30 0.00 -3.72 0.00 1.35 -0.16 -3.49 112.91 106.59 2msp h THR 81 Ca 0.01 -0.85 -0.47 0.00 -0.55 0.00 0.00 66.41 64.55 2msp h THR 81 Cb 0.66 0.00 0.19 0.00 -1.73 0.00 0.00 68.15 67.27 2msp h THR 81 CO 0.02 0.00 0.12 -1.61 -0.25 0.00 0.00 175.52 173.80 2msp s GLU 82 N -1.69 0.07 0.39 4.72 2.02 -1.16 -5.01 118.70 118.04 2msp s GLU 82 Ca -0.05 1.02 -0.23 0.00 0.02 0.00 0.00 54.97 55.74 2msp s GLU 82 Cb 0.01 -1.65 -0.10 0.00 0.10 0.00 0.00 34.13 32.48 2msp s GLU 82 CO 0.07 -3.11 0.96 0.34 0.02 0.00 0.00 175.26 173.54 2msp s ASP 83 N -2.76 7.05 0.00 -0.19 -1.08 -1.26 -4.88 116.67 113.55 2msp s ASP 83 Ca 0.67 1.78 0.00 0.00 -0.52 0.00 0.00 52.55 54.48 2msp s ASP 83 Cb -0.23 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.67 2msp s ASP 83 CO 0.61 -0.28 0.47 0.18 0.52 0.00 0.00 175.17 176.67 2msp n LEU 84 N -0.17 0.44 -0.12 -1.34 4.32 -1.26 -4.76 117.00 114.11 2msp n LEU 84 Ca 0.05 -0.44 0.10 0.00 -0.02 0.00 0.00 56.01 55.70 2msp n LEU 84 Cb 0.52 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.24 2msp n LEU 84 CO 0.40 0.11 0.04 0.59 -1.22 0.00 0.00 177.39 177.31 2msp n ASN 85 N -0.09 1.21 -1.13 -1.43 5.03 -1.26 -4.51 115.26 113.08 2msp n ASN 85 Ca 0.00 -1.10 -0.04 0.00 0.87 0.00 0.00 54.58 54.30 2msp n ASN 85 Cb 0.35 0.87 0.18 0.00 -1.02 0.00 0.00 39.78 40.15 2msp n ASN 85 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2msp n ASN 86 N -1.10 2.68 -4.87 6.41 3.02 -1.26 -5.00 115.26 115.13 2msp n ASN 86 Ca 0.05 -3.83 -0.31 0.00 -0.03 0.00 0.00 54.58 50.46 2msp n ASN 86 Cb 0.35 -0.58 -0.05 0.00 -0.61 0.00 0.00 39.78 38.89 2msp n ASN 86 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2msp s ASP 87 N -2.89 6.09 0.09 6.41 1.11 -1.26 -4.95 116.67 121.26 2msp s ASP 87 Ca 0.44 0.19 -0.15 0.00 0.18 0.00 0.00 52.55 53.20 2msp s ASP 87 Cb 0.40 -1.81 0.03 0.00 1.07 0.00 0.00 42.92 42.61 2msp s ASP 87 CO -0.02 0.18 0.37 -0.60 1.18 0.00 0.00 175.17 176.27 2msp s ARG 88 N -2.41 0.97 -0.12 8.23 3.52 -1.26 -2.92 118.95 124.96 2msp s ARG 88 Ca 0.32 -0.62 0.02 0.00 -0.13 0.00 0.00 55.73 55.32 2msp s ARG 88 Cb -0.13 0.42 0.02 0.00 -1.56 0.00 0.00 34.95 33.70 2msp s ARG 88 CO 0.25 -0.35 -0.16 0.42 -0.81 0.00 0.00 175.30 174.65 2msp s ILE 89 N -3.29 1.61 -0.18 4.11 1.01 0.66 -3.31 121.20 121.80 2msp s ILE 89 Ca -0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 59.91 2msp s ILE 89 Cb 0.01 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.99 2msp s ILE 89 CO -0.08 0.46 -0.02 0.00 0.00 0.00 0.00 174.94 175.30 2msp s ILE 91 N 0.76 2.88 -0.07 0.00 1.01 0.34 -0.19 121.20 125.92 2msp s ILE 91 Ca -0.01 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 59.99 2msp s ILE 91 Cb -0.14 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.02 2msp s ILE 91 CO 0.02 0.44 -0.20 -1.61 0.00 0.00 0.00 174.94 173.59 2msp s GLU 92 N 1.40 2.76 0.10 2.79 2.02 -0.02 -0.79 118.70 126.96 2msp s GLU 92 Ca 0.05 -0.81 -0.14 0.00 0.02 0.00 0.00 54.97 54.10 2msp s GLU 92 Cb -0.14 -2.32 0.02 0.00 0.10 0.00 0.00 34.13 31.79 2msp s GLU 92 CO -0.07 0.39 0.32 1.67 0.02 0.00 0.00 175.26 177.59 2msp s TRP 93 N -0.14 -0.08 0.20 1.61 -2.14 -0.30 0.88 118.94 118.96 2msp s TRP 93 Ca -0.03 -0.23 -0.15 0.00 2.66 0.00 0.00 56.10 58.36 2msp s TRP 93 Cb -0.14 0.13 0.01 0.00 -3.10 0.00 0.00 33.47 30.38 2msp s TRP 93 CO 0.04 -0.62 0.46 -0.08 -2.66 0.00 0.00 176.95 174.09 2msp s THR 94 N -3.57 0.03 0.84 0.66 -1.32 -0.05 -0.82 115.64 111.41 2msp s THR 94 Ca 0.02 -1.04 -0.11 0.00 -1.21 0.00 0.00 61.69 59.35 2msp s THR 94 Cb 0.02 -1.75 0.09 0.00 -1.51 0.00 0.00 72.50 69.36 2msp s THR 94 CO -0.10 -0.15 1.09 0.20 -2.21 0.00 0.00 174.62 173.46 2msp s ASN 95 N -2.92 4.03 -0.08 8.08 -0.87 -1.26 0.35 114.94 122.26 2msp s ASN 95 Ca 0.13 1.48 -0.03 0.00 -1.57 0.00 0.00 52.86 52.86 2msp s ASN 95 Cb -0.00 -2.19 -0.04 0.00 -0.02 0.00 0.00 41.25 39.01 2msp s ASN 95 CO -0.00 -2.29 0.06 0.42 -2.57 0.00 0.00 177.10 172.73 2msp s THR 96 N -3.01 4.79 0.05 1.60 -4.23 -1.24 -4.62 115.64 108.97 2msp s THR 96 Ca 0.62 -0.11 -0.37 0.00 -1.18 0.00 0.00 61.69 60.64 2msp s THR 96 Cb -0.16 -3.07 -0.19 0.00 1.34 0.00 0.00 72.50 70.42 2msp s THR 96 CO 0.56 0.57 0.98 -2.65 -0.54 0.00 0.00 174.62 173.54 2msp n PRO 97 N 1.94 0.10 -0.17 3.99 -0.01 -1.26 -4.75 135.00 134.84 2msp n PRO 97 Ca -0.18 0.03 0.13 0.00 -0.01 0.00 0.00 63.50 63.48 2msp n PRO 97 Cb 0.54 -1.45 0.22 0.00 -0.01 0.00 0.00 33.50 32.80 2msp n PRO 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 175.50 175.24 2msp n ASP 98 N 1.66 0.04 -3.47 2.55 8.00 -1.26 -1.89 116.55 122.18 2msp n ASP 98 Ca 0.19 0.38 -0.27 0.00 0.71 0.00 0.00 54.79 55.80 2msp n ASP 98 Cb 0.12 -0.19 -0.11 0.00 -0.02 0.00 0.00 41.12 40.93 2msp n ASP 98 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2msp s GLY 99 N -3.34 1.42 0.24 0.44 0.00 -1.26 -5.12 107.32 99.71 2msp s GLY 99 Ca -0.02 -2.61 0.08 0.00 0.00 0.00 0.00 44.72 42.17 2msp s GLY 99 CO 0.25 1.97 0.11 0.00 0.00 0.00 0.00 173.10 175.43 2msp s ALA 100 N -0.07 3.41 -0.02 3.20 0.00 -0.79 -5.11 121.76 122.38 2msp s ALA 100 Ca 0.30 -1.46 -0.03 0.00 0.00 0.00 0.00 51.96 50.78 2msp s ALA 100 Cb 0.00 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 2msp s ALA 100 CO -0.17 0.31 0.15 0.00 0.00 0.00 0.00 175.76 176.05 2msp s ALA 101 N -2.10 3.85 -0.97 0.00 0.00 -1.26 -5.00 121.76 116.28 2msp s ALA 101 Ca 0.32 -0.78 -0.24 0.00 0.00 0.00 0.00 51.96 51.26 2msp s ALA 101 Cb -0.08 -1.81 -0.06 0.00 0.00 0.00 0.00 23.12 21.17 2msp s ALA 101 CO 0.22 0.72 1.95 0.15 0.00 0.00 0.00 175.76 178.80 2msp s LYS 102 N -1.79 2.54 -0.30 0.00 1.02 -1.26 -4.67 119.74 115.28 2msp s LYS 102 Ca 0.25 -0.49 -0.17 0.00 0.02 0.00 0.00 55.97 55.58 2msp s LYS 102 Cb -0.12 -5.10 0.18 0.00 -0.52 0.00 0.00 37.83 32.26 2msp s LYS 102 CO 0.16 -3.52 1.11 -1.14 -0.92 0.00 0.00 175.35 171.03 2msp s GLN 103 N 6.89 0.19 0.29 1.68 0.74 -1.26 -5.05 119.66 123.14 2msp s GLN 103 Ca 0.70 0.48 -0.30 0.00 0.05 0.00 0.00 55.36 56.29 2msp s GLN 103 Cb -0.05 0.29 -0.11 0.00 1.10 0.00 0.00 33.01 34.23 2msp s GLN 103 CO 0.02 -0.07 1.59 0.12 -0.55 0.00 0.00 175.29 176.41 2msp s PHE 104 N 2.29 2.78 -0.29 1.67 5.36 -1.26 -4.98 117.98 123.55 2msp s PHE 104 Ca -0.01 0.78 0.01 0.00 -0.96 0.00 0.00 56.93 56.74 2msp s PHE 104 Cb -0.04 -4.05 0.09 0.00 -0.34 0.00 0.00 43.02 38.67 2msp s PHE 104 CO -0.17 -3.55 0.04 1.03 -1.46 0.00 0.00 175.22 171.11 2msp s ARG 105 N -0.42 1.16 0.34 10.12 0.52 -1.26 -5.01 118.95 124.39 2msp s ARG 105 Ca 0.63 -1.19 0.18 0.00 -0.52 0.00 0.00 55.73 54.84 2msp s ARG 105 Cb -0.47 -2.46 1.23 0.00 0.52 0.00 0.00 34.95 33.76 2msp s ARG 105 CO 0.47 -0.83 1.48 -2.13 0.02 0.00 0.00 175.30 174.30 2msp n ARG 106 N 4.67 -0.06 -0.29 3.54 3.00 -1.26 -0.10 116.66 126.17 2msp n ARG 106 Ca -0.04 1.30 0.09 0.00 -0.00 0.00 0.00 57.85 59.20 2msp n ARG 106 Cb 0.43 -2.31 0.23 0.00 0.00 0.00 0.00 32.46 30.80 2msp n ARG 106 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2msp h GLU 107 N 0.00 0.13 -1.81 -0.14 3.07 -2.00 0.61 114.58 114.44 2msp h GLU 107 Ca 0.78 -0.01 0.53 0.00 -0.50 0.00 0.00 59.36 60.16 2msp h GLU 107 Cb 2.04 -0.03 -0.07 0.00 -0.84 0.00 0.00 28.75 29.85 2msp h GLU 107 CO -0.73 0.08 1.33 -1.49 -1.40 0.00 0.00 179.01 176.80 2msp h TRP 108 N 0.13 0.00 0.08 4.33 6.55 -0.91 0.57 115.95 126.70 2msp h TRP 108 Ca 0.49 0.00 -0.21 0.00 0.95 0.00 0.00 58.89 60.13 2msp h TRP 108 Cb 0.94 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.24 2msp h TRP 108 CO -0.38 0.00 -1.05 0.74 -1.05 0.00 0.00 178.44 176.71 2msp h PHE 109 N 0.00 0.30 -0.25 0.49 -1.00 -1.07 -3.38 116.94 112.03 2msp h PHE 109 Ca 0.86 -0.22 0.05 0.00 2.81 0.00 0.00 57.97 61.48 2msp h PHE 109 Cb 3.51 -0.01 -0.05 0.00 3.61 0.00 0.00 35.95 43.01 2msp h PHE 109 CO 0.00 1.41 -0.08 1.96 -1.61 0.00 0.00 178.31 179.99 2msp h GLN 110 N -0.57 -0.02 -6.83 1.51 4.20 0.08 -3.45 115.11 110.03 2msp h GLN 110 Ca -0.23 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 57.98 2msp h GLN 110 Cb 1.52 0.01 0.22 0.00 0.30 0.00 0.00 27.48 29.53 2msp h GLN 110 CO 0.01 -0.02 -0.62 0.41 -0.67 0.00 0.00 178.83 177.94 2msp n GLY 111 N -1.24 -2.03 3.76 3.46 0.00 -0.42 -4.90 105.19 103.81 2msp n GLY 111 Ca -0.01 -0.80 -0.39 0.00 0.00 0.00 0.00 46.02 44.82 2msp n GLY 111 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2msp s ASP 112 N -2.05 5.74 0.00 1.61 1.01 -1.26 -4.91 116.67 116.80 2msp s ASP 112 Ca 0.59 2.75 0.00 0.00 0.71 0.00 0.00 52.55 56.59 2msp s ASP 112 Cb -0.18 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.11 2msp s ASP 112 CO 0.66 -1.25 0.00 0.61 0.21 0.00 0.00 175.17 175.40 2msp n GLY 113 N 0.64 -1.07 3.87 0.21 0.00 -1.26 -4.89 105.19 102.69 2msp n GLY 113 Ca 0.07 -1.44 -0.37 0.00 0.00 0.00 0.00 46.02 44.28 2msp n GLY 113 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2msp s MET 114 N -1.92 3.50 -0.05 1.61 -1.94 -1.26 -4.98 119.30 114.26 2msp s MET 114 Ca 0.00 -0.10 0.01 0.00 -1.71 0.00 0.00 55.69 53.89 2msp s MET 114 Cb 0.00 -3.20 0.02 0.00 2.01 0.00 0.00 34.83 33.66 2msp s MET 114 CO 0.00 0.76 -0.06 0.08 -0.01 0.00 0.00 175.02 175.79 2msp s VAL 115 N -0.98 0.65 0.14 -6.03 1.01 -1.26 -4.67 120.40 109.26 2msp s VAL 115 Ca 0.15 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.98 2msp s VAL 115 Cb -0.12 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 2msp s VAL 115 CO 0.04 0.26 0.28 -0.60 0.00 0.00 0.00 175.10 175.08 2msp s ARG 116 N 1.00 3.44 0.20 2.72 3.52 -0.00 -4.97 118.95 124.85 2msp s ARG 116 Ca -0.10 -0.59 0.03 0.00 -0.13 0.00 0.00 55.73 54.95 2msp s ARG 116 Cb -0.14 -2.97 -0.05 0.00 -1.56 0.00 0.00 34.95 30.23 2msp s ARG 116 CO -0.00 0.53 -0.02 1.03 -0.81 0.00 0.00 175.30 176.03 2msp s ARG 117 N -3.19 1.22 -0.26 5.12 0.52 -1.26 -1.15 118.95 119.95 2msp s ARG 117 Ca 0.35 -1.60 -0.17 0.00 -0.52 0.00 0.00 55.73 53.79 2msp s ARG 117 Cb -0.11 -0.51 0.07 0.00 0.52 0.00 0.00 34.95 34.92 2msp s ARG 117 CO 0.28 -0.08 0.65 0.21 0.02 0.00 0.00 175.30 176.39 2msp s LYS 118 N -3.86 0.69 -0.13 3.54 2.20 0.03 -5.00 119.74 117.21 2msp s LYS 118 Ca 0.25 1.12 -0.03 0.00 -0.36 0.00 0.00 55.97 56.96 2msp s LYS 118 Cb 0.05 0.16 -0.03 0.00 -1.51 0.00 0.00 37.83 36.51 2msp s LYS 118 CO 0.06 -0.14 -0.02 -0.80 -0.36 0.00 0.00 175.35 174.09 2msp s ASN 119 N 1.38 4.98 -0.29 1.43 0.01 -1.26 -0.51 114.94 120.68 2msp s ASN 119 Ca -0.08 -0.03 0.03 0.00 -0.71 0.00 0.00 52.86 52.07 2msp s ASN 119 Cb -0.05 -1.66 0.07 0.00 0.41 0.00 0.00 41.25 40.02 2msp s ASN 119 CO -0.15 0.24 -0.05 -0.76 -1.51 0.00 0.00 177.10 174.87 2msp s LEU 120 N -0.06 3.92 0.29 0.60 1.43 0.11 -4.83 118.68 120.15 2msp s LEU 120 Ca 0.02 -1.66 -0.18 0.00 -1.03 0.00 0.00 54.13 51.29 2msp s LEU 120 Cb -0.13 -1.58 -0.09 0.00 0.03 0.00 0.00 46.19 44.42 2msp s LEU 120 CO 0.02 -0.26 0.76 -2.16 0.23 0.00 0.00 176.35 174.95 2msp s PRO 121 N 1.04 4.16 -0.16 1.29 0.04 -1.26 0.24 135.00 140.35 2msp s PRO 121 Ca -0.02 0.83 -0.17 0.00 0.04 0.00 0.00 61.00 61.68 2msp s PRO 121 Cb -0.20 -2.61 -0.04 0.00 0.04 0.00 0.00 34.50 31.69 2msp s PRO 121 CO -0.06 0.24 0.43 0.42 0.04 0.00 0.00 177.00 178.08 2msp s ILE 122 N -1.79 5.20 -0.24 0.56 1.09 -1.15 -1.00 121.20 123.87 2msp s ILE 122 Ca 0.50 0.82 -0.05 0.00 -1.10 0.00 0.00 60.65 60.82 2msp s ILE 122 Cb -0.13 -3.77 -0.01 0.00 -1.06 0.00 0.00 42.46 37.49 2msp s ILE 122 CO 0.19 0.29 0.00 -0.70 -0.10 0.00 0.00 174.94 174.62 2msp s GLU 123 N 0.97 3.43 -0.25 2.79 2.12 0.45 -4.60 118.70 123.60 2msp s GLU 123 Ca 0.22 -0.61 -0.21 0.00 0.36 0.00 0.00 54.97 54.74 2msp s GLU 123 Cb -0.15 -3.14 -0.02 0.00 0.26 0.00 0.00 34.13 31.09 2msp s GLU 123 CO 0.08 -0.22 0.65 0.71 -0.54 0.00 0.00 175.26 175.94 2msp s TYR 124 N 1.52 3.29 -0.31 5.30 2.02 -1.26 0.06 117.35 127.96 2msp s TYR 124 Ca 0.06 0.85 -0.10 0.00 -0.37 0.00 0.00 57.07 57.50 2msp s TYR 124 Cb -0.15 -2.86 -0.01 0.00 -0.40 0.00 0.00 41.96 38.55 2msp s TYR 124 CO -0.01 -0.33 0.16 1.21 -1.57 0.00 0.00 175.55 175.01 2msp s ASN 125 N 1.45 5.59 0.00 2.29 2.47 0.13 -4.96 114.94 121.92 2msp s ASN 125 Ca 0.27 -0.53 0.26 0.00 0.42 0.00 0.00 52.86 53.28 2msp s ASN 125 Cb -0.15 -2.01 0.58 0.00 -1.45 0.00 0.00 41.25 38.22 2msp s ASN 125 CO 0.08 -0.20 1.48 0.18 -3.72 0.00 0.00 177.10 174.92