#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 2.12 0.29 -3.33 -7.23 -1.26 -5.00 120.40 105.99 2msp s VAL 4 Ca 0.00 -1.05 -0.28 0.00 -1.81 0.00 0.00 61.98 58.85 2msp s VAL 4 Cb 0.00 -1.76 -0.14 0.00 0.56 0.00 0.00 36.38 35.03 2msp s VAL 4 CO 0.00 0.57 0.94 -0.81 -0.31 0.00 0.00 175.10 175.49 2msp n PRO 5 N 2.90 1.18 -1.63 4.82 -0.04 -1.26 -4.85 135.00 136.12 2msp n PRO 5 Ca -0.17 0.41 -0.30 0.00 -0.04 0.00 0.00 63.50 63.40 2msp n PRO 5 Cb 0.52 -1.75 0.07 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.52 2.39 0.74 0.54 0.05 -1.26 -5.02 135.00 130.91 2msp s PRO 6 Ca 0.60 0.65 -0.09 0.00 0.05 0.00 0.00 61.00 62.20 2msp s PRO 6 Cb -0.71 -1.95 0.06 0.00 0.05 0.00 0.00 34.50 31.95 2msp s PRO 6 CO 0.59 -1.41 1.08 0.20 0.05 0.00 0.00 177.00 177.52 2msp s GLY 7 N -3.99 1.63 0.54 0.56 0.00 -1.26 -5.06 107.32 99.75 2msp s GLY 7 Ca 0.60 -0.73 -0.05 0.00 0.00 0.00 0.00 44.72 44.54 2msp s GLY 7 CO 0.54 -0.30 0.85 0.51 0.00 0.00 0.00 173.10 174.70 2msp s ASP 8 N -4.51 5.86 0.30 1.64 1.47 -1.26 -4.76 116.67 115.41 2msp s ASP 8 Ca 0.60 0.78 0.11 0.00 1.18 0.00 0.00 52.55 55.22 2msp s ASP 8 Cb -0.11 -1.90 -0.05 0.00 -0.34 0.00 0.00 42.92 40.51 2msp s ASP 8 CO 0.47 -0.87 -0.16 0.27 0.68 0.00 0.00 175.17 175.56 2msp s ILE 9 N -2.88 2.43 -0.05 2.11 -4.36 -1.26 -1.66 121.20 115.53 2msp s ILE 9 Ca 0.51 -2.34 0.05 0.00 -0.26 0.00 0.00 60.65 58.62 2msp s ILE 9 Cb -0.10 -2.42 -0.02 0.00 1.25 0.00 0.00 42.46 41.17 2msp s ILE 9 CO 0.45 -0.34 -0.21 0.20 0.24 0.00 0.00 174.94 175.28 2msp s ASN 10 N -3.54 3.41 0.12 4.36 0.01 0.54 -4.87 114.94 114.97 2msp s ASN 10 Ca 0.31 -0.40 0.09 0.00 -0.71 0.00 0.00 52.86 52.14 2msp s ASN 10 Cb -0.03 -0.79 -0.04 0.00 0.41 0.00 0.00 41.25 40.80 2msp s ASN 10 CO 0.16 0.28 -0.21 0.42 -1.51 0.00 0.00 177.10 176.24 2msp s THR 11 N -0.38 1.80 -0.17 1.60 -4.23 -1.26 -0.03 115.64 112.98 2msp s THR 11 Ca 0.03 -1.66 -0.02 0.00 -1.18 0.00 0.00 61.69 58.86 2msp s THR 11 Cb -0.12 -1.67 0.05 0.00 1.34 0.00 0.00 72.50 72.10 2msp s THR 11 CO 0.02 -0.11 0.01 -1.10 -0.54 0.00 0.00 174.62 172.90 2msp s GLN 12 N -2.14 0.82 1.27 3.99 -0.21 -0.85 -2.52 119.66 120.03 2msp s GLN 12 Ca 0.09 -0.38 -0.21 0.00 0.02 0.00 0.00 55.36 54.88 2msp s GLN 12 Cb -0.09 -1.94 0.33 0.00 1.00 0.00 0.00 33.01 32.31 2msp s GLN 12 CO 0.05 -0.55 0.82 -0.35 -2.12 0.00 0.00 175.29 173.14 2msp n PRO 13 N 5.02 -4.23 -1.80 2.91 -0.04 -1.26 -1.18 135.00 134.41 2msp n PRO 13 Ca -0.09 -1.36 -0.06 0.00 -0.04 0.00 0.00 63.50 61.94 2msp n PRO 13 Cb 0.48 -1.65 0.07 0.00 -0.04 0.00 0.00 33.50 32.36 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 -4.92 4.07 0.00 0.55 0.00 -1.05 -4.82 105.19 99.03 2msp n GLY 14 Ca 0.13 -1.65 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 -0.58 0.00 -1.84 1.61 7.64 -1.26 -4.98 113.62 114.21 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 -0.60 0.33 -3.67 1.43 2.85 -1.26 -4.31 118.16 112.92 2msp n LYS 16 Ca 0.00 -0.69 -0.08 0.00 -1.05 0.00 0.00 58.31 56.48 2msp n LYS 16 Cb 0.00 0.91 -0.09 0.00 -0.65 0.00 0.00 35.03 35.20 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 -2.46 -0.27 -0.15 0.58 -1.16 -0.42 -4.61 121.20 112.72 2msp s ILE 17 Ca 0.08 0.08 -0.06 0.00 -0.51 0.00 0.00 60.65 60.24 2msp s ILE 17 Cb -0.01 -0.75 -0.04 0.00 0.61 0.00 0.00 42.46 42.27 2msp s ILE 17 CO 0.03 0.03 0.08 -0.69 -2.81 0.00 0.00 174.94 171.58 2msp s VAL 18 N 1.90 4.94 -0.23 4.00 1.01 -1.26 -0.20 120.40 130.56 2msp s VAL 18 Ca -0.07 0.01 -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 -0.15 0.54 0.01 -0.36 0.00 0.00 0.00 175.10 175.13 2msp s PHE 19 N -0.30 3.01 -0.02 5.22 0.40 0.16 -4.95 117.98 121.51 2msp s PHE 19 Ca 0.09 -0.70 -0.13 0.00 -0.60 0.00 0.00 56.93 55.58 2msp s PHE 19 Cb -0.12 -2.16 -0.05 0.00 0.51 0.00 0.00 43.02 41.20 2msp s PHE 19 CO 0.01 -0.46 0.36 -0.80 0.70 0.00 0.00 175.22 175.04 2msp s ASN 20 N 1.51 6.74 1.16 1.36 0.01 -1.26 0.13 114.94 124.59 2msp s ASN 20 Ca 0.06 0.88 -0.17 0.00 -0.71 0.00 0.00 52.86 52.92 2msp s ASN 20 Cb -0.15 -2.22 0.26 0.00 0.41 0.00 0.00 41.25 39.56 2msp s ASN 20 CO -0.00 0.34 1.08 0.00 -1.51 0.00 0.00 177.10 177.00 2msp s ALA 21 N -1.05 0.47 0.52 0.60 0.00 0.13 -4.71 121.76 117.73 2msp s ALA 21 Ca 0.22 -0.69 -0.14 0.00 0.00 0.00 0.00 51.96 51.36 2msp s ALA 21 Cb -0.16 -2.99 -0.06 0.00 0.00 0.00 0.00 23.12 19.90 2msp s ALA 21 CO 0.12 -3.48 0.95 -1.25 0.00 0.00 0.00 175.76 172.09 2msp s PRO 22 N -5.15 3.82 -0.96 0.00 0.04 -1.26 -5.04 135.00 126.45 2msp s PRO 22 Ca 0.69 0.78 -0.00 0.00 0.04 0.00 0.00 61.00 62.51 2msp s PRO 22 Cb -0.14 -2.18 0.32 0.00 0.04 0.00 0.00 34.50 32.54 2msp s PRO 22 CO 0.57 -0.30 1.65 0.66 0.04 0.00 0.00 177.00 179.63 2msp n TYR 23 N -1.85 2.95 -1.17 0.56 4.01 -1.26 -4.57 117.16 115.83 2msp n TYR 23 Ca 0.05 -2.81 0.09 0.00 -0.16 0.00 0.00 57.90 55.08 2msp n TYR 23 Cb 0.54 -1.08 0.15 0.00 -0.31 0.00 0.00 39.34 38.64 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 0.01 2.22 -3.48 7.72 5.68 -1.26 -3.19 116.55 124.25 2msp n ASP 24 Ca 0.43 -3.21 -0.10 0.00 -0.50 0.00 0.00 54.79 51.41 2msp n ASP 24 Cb 0.29 -0.44 -0.02 0.00 -1.14 0.00 0.00 41.12 39.80 2msp n ASP 24 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 2msp s ASP 25 N -2.92 -0.45 -0.35 -1.12 1.01 -1.26 -4.93 116.67 106.65 2msp s ASP 25 Ca 0.33 -0.01 -0.29 0.00 0.71 0.00 0.00 52.55 53.29 2msp s ASP 25 Cb 0.29 0.48 -0.01 0.00 1.01 0.00 0.00 42.92 44.70 2msp s ASP 25 CO 0.01 -0.78 1.62 -0.75 0.21 0.00 0.00 175.17 175.49 2msp s LYS 26 N -3.40 3.48 0.06 8.23 2.20 -1.26 -4.35 119.74 124.71 2msp s LYS 26 Ca 0.03 1.25 -0.08 0.00 -0.36 0.00 0.00 55.97 56.82 2msp s LYS 26 Cb -0.01 -4.11 -0.05 0.00 -1.51 0.00 0.00 37.83 32.14 2msp s LYS 26 CO -0.10 -1.68 0.35 -1.58 -0.36 0.00 0.00 175.35 171.97 2msp s HIS 27 N 6.13 3.56 -0.32 4.03 2.46 -0.70 -4.90 115.29 125.56 2msp s HIS 27 Ca 0.72 0.67 0.02 0.00 0.47 0.00 0.00 55.06 56.94 2msp s HIS 27 Cb -0.19 -2.07 0.09 0.00 -0.13 0.00 0.00 32.58 30.28 2msp s HIS 27 CO 0.33 0.54 0.04 0.99 -2.47 0.00 0.00 174.74 174.17 2msp s THR 28 N -1.40 1.85 0.64 0.89 2.01 -1.26 -1.29 115.64 117.08 2msp s THR 28 Ca 0.32 -1.96 0.01 0.00 0.31 0.00 0.00 61.69 60.36 2msp s THR 28 Cb -0.13 -2.33 0.08 0.00 0.01 0.00 0.00 72.50 70.13 2msp s THR 28 CO 0.18 -0.54 0.89 -0.31 -0.69 0.00 0.00 174.62 174.15 2msp s TYR 29 N 1.14 2.18 0.17 4.92 1.51 0.15 -4.88 117.35 122.54 2msp s TYR 29 Ca 0.08 -0.16 0.06 0.00 -1.01 0.00 0.00 57.07 56.04 2msp s TYR 29 Cb -0.19 -2.85 -0.04 0.00 -0.11 0.00 0.00 41.96 38.77 2msp s TYR 29 CO -0.12 -1.30 -0.12 -1.01 -1.11 0.00 0.00 175.55 171.89 2msp s HIS 30 N -2.95 1.46 0.01 2.71 3.76 -1.26 -0.71 115.29 118.31 2msp s HIS 30 Ca 0.62 -0.67 0.00 0.00 -0.15 0.00 0.00 55.06 54.87 2msp s HIS 30 Cb -0.08 -0.71 -0.01 0.00 1.11 0.00 0.00 32.58 32.89 2msp s HIS 30 CO 0.41 0.20 -0.02 0.42 -0.85 0.00 0.00 174.74 174.90 2msp s ILE 31 N -3.09 0.15 -0.25 0.60 1.01 0.11 -4.65 121.20 115.08 2msp s ILE 31 Ca 0.18 -0.39 -0.06 0.00 0.00 0.00 0.00 60.65 60.38 2msp s ILE 31 Cb 0.01 -0.19 -0.01 0.00 0.01 0.00 0.00 42.46 42.27 2msp s ILE 31 CO 0.03 -0.15 0.04 -0.75 0.00 0.00 0.00 174.94 174.11 2msp s LYS 32 N -0.57 3.42 -0.17 2.79 2.20 -0.33 -0.25 119.74 126.83 2msp s LYS 32 Ca -0.05 -0.62 -0.07 0.00 -0.36 0.00 0.00 55.97 54.87 2msp s LYS 32 Cb -0.04 -3.23 -0.04 0.00 -1.51 0.00 0.00 37.83 33.01 2msp s LYS 32 CO -0.00 -0.26 0.06 0.42 -0.36 0.00 0.00 175.35 175.21 2msp s ILE 33 N 1.54 4.74 -0.05 5.43 1.01 0.14 -2.01 121.20 132.01 2msp s ILE 33 Ca 0.05 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.66 2msp s ILE 33 Cb -0.15 -3.12 0.02 0.00 0.01 0.00 0.00 42.46 39.21 2msp s ILE 33 CO 0.01 0.48 -0.09 -0.89 0.00 0.00 0.00 174.94 174.46 2msp s THR 34 N 0.18 0.85 -0.88 2.92 2.01 0.96 -0.10 115.64 121.57 2msp s THR 34 Ca 0.04 -0.31 -0.25 0.00 0.31 0.00 0.00 61.69 61.48 2msp s THR 34 Cb -0.12 -0.81 0.03 0.00 0.01 0.00 0.00 72.50 71.61 2msp s THR 34 CO 0.01 0.29 1.44 0.21 -0.69 0.00 0.00 174.62 175.88 2msp s ASN 35 N 0.75 6.20 0.28 3.53 3.84 -0.42 -0.34 114.94 128.77 2msp s ASN 35 Ca -0.13 -0.89 0.26 0.00 0.21 0.00 0.00 52.86 52.30 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 -1.78 1.76 0.00 -2.79 0.00 0.00 177.10 174.31 2msp h ALA 36 N 10.30 1.00 -2.10 1.71 0.00 -1.64 0.37 119.26 128.91 2msp h ALA 36 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.46 2msp h ALA 36 Cb 1.03 0.00 0.19 0.00 0.00 0.00 0.00 17.79 19.01 2msp h ALA 36 CO 1.34 0.00 0.11 0.20 0.00 0.00 0.00 179.25 180.90 2msp s GLY 37 N -3.67 1.55 0.03 0.00 0.00 -1.04 -4.78 107.32 99.42 2msp s GLY 37 Ca 0.06 -0.75 0.19 0.00 0.00 0.00 0.00 44.72 44.23 2msp s GLY 37 CO 0.50 0.08 0.69 0.61 0.00 0.00 0.00 173.10 174.98 2msp n GLY 38 N -0.61 -1.18 3.64 0.20 0.00 -1.26 -4.23 105.19 101.75 2msp n GLY 38 Ca 0.10 -0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.07 2.05 1.14 1.61 0.52 -1.26 -4.77 118.95 115.16 2msp s ARG 39 Ca -0.05 -1.89 -0.15 0.00 -0.52 0.00 0.00 55.73 53.12 2msp s ARG 39 Cb 0.10 -1.84 0.19 0.00 0.52 0.00 0.00 34.95 33.92 2msp s ARG 39 CO 0.83 0.03 0.52 0.54 0.02 0.00 0.00 175.30 177.24 2msp n ARG 40 N -1.00 -1.97 -3.67 3.54 1.74 -1.26 -4.40 116.66 109.64 2msp n ARG 40 Ca -0.04 -0.55 -0.10 0.00 -0.77 0.00 0.00 57.85 56.39 2msp n ARG 40 Cb 0.64 -1.94 -0.05 0.00 -1.02 0.00 0.00 32.46 30.09 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 -2.33 0.07 -0.07 0.55 -4.36 -0.36 -3.57 121.20 111.13 2msp s ILE 41 Ca 0.62 -0.66 0.04 0.00 -0.26 0.00 0.00 60.65 60.39 2msp s ILE 41 Cb -0.19 -1.22 0.00 0.00 1.25 0.00 0.00 42.46 42.31 2msp s ILE 41 CO 0.66 -0.34 -0.18 -0.83 0.24 0.00 0.00 174.94 174.49 2msp s GLY 42 N -2.82 1.03 0.05 6.27 0.00 0.81 -1.23 107.32 111.43 2msp s GLY 42 Ca 0.04 -0.71 0.02 0.00 0.00 0.00 0.00 44.72 44.07 2msp s GLY 42 CO -0.11 -0.21 -0.08 0.66 0.00 0.00 0.00 173.10 173.36 2msp s TRP 43 N 0.33 0.73 0.00 1.90 1.48 0.16 -0.86 118.94 122.68 2msp s TRP 43 Ca -0.12 -0.55 -0.13 0.00 -1.06 0.00 0.00 56.10 54.24 2msp s TRP 43 Cb -0.15 -0.43 0.02 0.00 -1.16 0.00 0.00 33.47 31.74 2msp s TRP 43 CO 0.05 -0.08 0.27 0.00 -4.06 0.00 0.00 176.95 173.12 2msp s ALA 44 N -1.68 -0.64 -0.07 2.67 0.00 0.25 0.19 121.76 122.47 2msp s ALA 44 Ca -0.07 0.13 -0.02 0.00 0.00 0.00 0.00 51.96 52.00 2msp s ALA 44 Cb -0.08 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 2msp s ALA 44 CO -0.00 -0.29 0.03 0.42 0.00 0.00 0.00 175.76 175.92 2msp s ILE 45 N -1.69 4.54 -0.03 0.00 -1.09 0.15 -0.40 121.20 122.68 2msp s ILE 45 Ca -0.11 -0.23 0.01 0.00 -2.23 0.00 0.00 60.65 58.09 2msp s ILE 45 Cb -0.04 -2.96 0.01 0.00 -1.58 0.00 0.00 42.46 37.89 2msp s ILE 45 CO 0.02 0.55 -0.05 -0.75 -1.23 0.00 0.00 174.94 173.48 2msp s LYS 46 N -1.09 0.67 0.31 2.79 2.20 0.16 -4.94 119.74 119.84 2msp s LYS 46 Ca 0.15 -0.14 0.03 0.00 -0.36 0.00 0.00 55.97 55.65 2msp s LYS 46 Cb -0.12 -0.68 0.03 0.00 -1.51 0.00 0.00 37.83 35.56 2msp s LYS 46 CO 0.05 0.00 0.27 0.25 -0.36 0.00 0.00 175.35 175.56 2msp n THR 47 N 3.60 0.00 0.13 3.43 -2.24 -1.26 0.30 114.28 118.24 2msp n THR 47 Ca -0.21 -1.19 0.03 0.00 -2.27 0.00 0.00 64.05 60.40 2msp n THR 47 Cb 0.53 -0.32 0.04 0.00 -2.10 0.00 0.00 70.33 68.48 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 -1.31 0.32 -3.12 4.28 -1.04 -1.18 -4.78 114.28 107.45 2msp n THR 48 Ca 0.01 -0.66 -0.17 0.00 -2.04 0.00 0.00 64.05 61.18 2msp n THR 48 Cb 0.35 0.92 -0.05 0.00 -1.82 0.00 0.00 70.33 69.72 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 -1.72 0.02 8.00 2.85 -1.26 -4.93 115.26 118.42 2msp n ASN 49 Ca 0.04 -2.61 0.20 0.00 -0.11 0.00 0.00 54.58 52.09 2msp n ASN 49 Cb 0.20 0.42 0.70 0.00 1.24 0.00 0.00 39.78 42.33 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 5.32 0.00 0.01 1.20 2.86 -1.86 0.33 114.93 122.78 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 0.23 0.00 -0.00 0.00 1.06 0.00 0.00 176.91 178.19 2msp h ARG 51 N 0.00 -0.01 0.00 1.72 3.08 -2.01 -3.40 114.38 113.76 2msp h ARG 51 Ca 0.23 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.19 2msp h ARG 51 Cb 0.96 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 2msp h ARG 51 CO -0.00 0.35 -0.63 -0.09 -1.07 0.00 0.00 179.97 178.52 2msp h ARG 52 N -0.37 0.00 -7.18 0.04 2.43 -1.78 -3.47 114.38 104.05 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 0.36 0.00 0.07 0.00 -0.42 0.00 0.00 29.97 29.99 2msp h ARG 52 CO 0.00 0.57 0.16 -0.51 -1.51 0.00 0.00 179.97 178.67 2msp s LEU 53 N -8.13 2.94 -0.22 3.80 1.43 0.03 -2.18 118.68 116.35 2msp s LEU 53 Ca -0.19 0.27 -0.26 0.00 -1.03 0.00 0.00 54.13 52.92 2msp s LEU 53 Cb 0.02 -2.94 0.07 0.00 0.03 0.00 0.00 46.19 43.38 2msp s LEU 53 CO 0.41 -1.54 0.70 -0.83 0.23 0.00 0.00 176.35 175.32 2msp s GLY 54 N -4.52 -0.53 0.29 -3.19 0.00 -1.10 -4.63 107.32 93.64 2msp s GLY 54 Ca 0.60 1.84 0.08 0.00 0.00 0.00 0.00 44.72 47.24 2msp s GLY 54 CO 0.43 1.56 -0.08 0.14 0.00 0.00 0.00 173.10 175.15 2msp s VAL 55 N 0.07 1.84 0.00 1.40 1.01 -1.26 -1.29 120.40 122.16 2msp s VAL 55 Ca -0.02 -2.17 0.00 0.00 0.00 0.00 0.00 61.98 59.79 2msp s VAL 55 Cb -0.04 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.88 2msp s VAL 55 CO 0.03 -0.30 0.00 -0.67 0.00 0.00 0.00 175.10 174.15 2msp n ASP 56 N -0.62 0.00 -4.82 3.32 2.03 -1.20 -4.52 116.55 110.74 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 0.63 0.00 -0.03 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 3.84 0.03 -0.67 0.04 -1.26 -1.25 135.00 135.72 2msp s PRO 57 Ca 0.00 1.09 0.27 0.00 0.04 0.00 0.00 61.00 62.40 2msp s PRO 57 Cb 0.00 -2.11 0.92 0.00 0.04 0.00 0.00 34.50 33.35 2msp s PRO 57 CO 0.00 -0.37 1.72 -2.30 0.04 0.00 0.00 177.00 176.09 2msp n PRO 58 N -1.44 0.04 -3.57 0.56 -0.02 -1.26 -4.88 135.00 124.44 2msp n PRO 58 Ca 0.07 0.02 -0.09 0.00 -2.02 0.00 0.00 63.50 61.49 2msp n PRO 58 Cb 0.54 -1.54 -0.04 0.00 -0.02 0.00 0.00 33.50 32.43 2msp n PRO 58 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2msp s SER 59 N -3.21 -0.33 0.06 2.55 1.04 -1.26 -0.68 113.70 111.87 2msp s SER 59 Ca 0.12 0.28 -0.11 0.00 0.48 0.00 0.00 55.95 56.73 2msp s SER 59 Cb 0.18 0.29 0.04 0.00 0.10 0.00 0.00 66.02 66.62 2msp s SER 59 CO 0.60 -0.37 0.51 0.61 0.98 0.00 0.00 173.24 175.57 2msp n GLY 60 N 0.49 0.83 3.31 7.32 0.00 0.13 -4.92 105.19 112.35 2msp n GLY 60 Ca -0.09 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.27 2.23 -0.05 1.61 1.01 -1.26 0.38 120.40 122.06 2msp s VAL 61 Ca 0.11 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.09 2msp s VAL 61 Cb -0.01 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.58 2msp s VAL 61 CO 0.02 0.57 -0.05 -0.76 0.00 0.00 0.00 175.10 174.88 2msp s LEU 62 N -0.33 1.34 0.00 3.92 1.02 -0.37 -4.97 118.68 119.30 2msp s LEU 62 Ca 0.02 -0.14 -0.04 0.00 0.02 0.00 0.00 54.13 53.99 2msp s LEU 62 Cb -0.12 -0.47 0.05 0.00 0.02 0.00 0.00 46.19 45.67 2msp s LEU 62 CO 0.02 -0.05 0.19 0.47 0.02 0.00 0.00 176.35 177.00 2msp n ASP 63 N 4.04 -1.25 -4.83 2.29 8.00 -1.26 -1.22 116.55 122.32 2msp n ASP 63 Ca -0.25 -0.60 -0.34 0.00 0.71 0.00 0.00 54.79 54.32 2msp n ASP 63 Cb 0.51 -0.18 -0.06 0.00 -0.02 0.00 0.00 41.12 41.37 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 -3.44 4.18 0.00 -0.24 0.04 -1.26 -3.40 135.00 130.88 2msp s PRO 64 Ca 0.13 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.04 2msp s PRO 64 Cb -0.01 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.96 2msp s PRO 64 CO 0.10 0.21 0.00 0.43 0.04 0.00 0.00 177.00 177.78 2msp n SER 65 N 0.02 0.00 -4.87 6.66 7.64 0.13 -4.95 113.62 118.25 2msp n SER 65 Ca 0.02 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.60 2msp n SER 65 Cb 0.52 -1.50 0.03 0.00 -1.01 0.00 0.00 64.21 62.25 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 -0.53 3.17 0.07 1.43 2.12 -1.22 -4.78 118.70 118.96 2msp s GLU 66 Ca 0.00 0.61 -0.07 0.00 0.36 0.00 0.00 54.97 55.86 2msp s GLU 66 Cb 0.00 -2.04 -0.01 0.00 0.26 0.00 0.00 34.13 32.34 2msp s GLU 66 CO 0.00 -0.85 0.15 -1.59 -0.54 0.00 0.00 175.26 172.43 2msp s LYS 67 N -5.27 0.77 0.05 4.30 -2.85 -1.26 -1.31 119.74 114.17 2msp s LYS 67 Ca 0.57 -0.93 -0.03 0.00 -1.00 0.00 0.00 55.97 54.58 2msp s LYS 67 Cb -0.11 0.31 -0.03 0.00 -2.06 0.00 0.00 37.83 35.94 2msp s LYS 67 CO 0.53 -0.22 0.02 0.54 0.10 0.00 0.00 175.35 176.31 2msp s VAL 68 N -3.57 0.18 -0.30 1.79 0.11 0.85 -4.96 120.40 114.49 2msp s VAL 68 Ca 0.03 -1.45 0.03 0.00 -2.93 0.00 0.00 61.98 57.66 2msp s VAL 68 Cb 0.04 -1.17 0.08 0.00 -1.53 0.00 0.00 36.38 33.80 2msp s VAL 68 CO -0.09 -0.80 -0.02 -0.22 -3.33 0.00 0.00 175.10 170.64 2msp s LEU 69 N -2.51 4.11 0.13 2.54 2.96 -1.26 0.28 118.68 124.93 2msp s LEU 69 Ca 0.01 -1.73 0.05 0.00 -0.22 0.00 0.00 54.13 52.24 2msp s LEU 69 Cb 0.03 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 45.07 2msp s LEU 69 CO -0.08 -0.29 0.06 0.00 -1.32 0.00 0.00 176.35 174.72 2msp s MET 70 N 1.03 2.69 -0.26 1.98 0.23 0.66 -4.76 119.30 120.88 2msp s MET 70 Ca 0.00 -0.87 -0.08 0.00 -1.03 0.00 0.00 55.69 53.70 2msp s MET 70 Cb -0.20 -2.57 -0.04 0.00 -1.53 0.00 0.00 34.83 30.50 2msp s MET 70 CO -0.06 0.51 0.10 0.00 -2.03 0.00 0.00 175.02 173.55 2msp s ALA 71 N -1.55 3.28 -0.06 3.16 0.00 -0.38 0.05 121.76 126.25 2msp s ALA 71 Ca 0.28 -1.10 -0.12 0.00 0.00 0.00 0.00 51.96 51.02 2msp s ALA 71 Cb -0.11 -2.19 -0.05 0.00 0.00 0.00 0.00 23.12 20.77 2msp s ALA 71 CO 0.21 -0.48 0.31 0.08 0.00 0.00 0.00 175.76 175.87 2msp s VAL 72 N 1.61 5.23 0.23 0.00 1.01 0.11 -3.26 120.40 125.33 2msp s VAL 72 Ca 0.06 0.60 0.10 0.00 0.00 0.00 0.00 61.98 62.74 2msp s VAL 72 Cb -0.15 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2msp s VAL 72 CO 0.06 0.56 -0.10 -0.44 0.00 0.00 0.00 175.10 175.18 2msp s SER 73 N -0.80 4.15 -0.14 3.32 0.01 -0.41 0.29 113.70 120.12 2msp s SER 73 Ca 0.20 -0.71 -0.04 0.00 1.31 0.00 0.00 55.95 56.71 2msp s SER 73 Cb -0.15 -0.64 0.06 0.00 0.21 0.00 0.00 66.02 65.51 2msp s SER 73 CO 0.09 0.06 0.17 0.00 0.41 0.00 0.00 173.24 173.97 2msp s ASP 75 N 2.28 4.39 0.87 0.00 2.15 -0.93 -1.72 116.67 123.71 2msp s ASP 75 Ca 0.04 0.84 -0.11 0.00 0.43 0.00 0.00 52.55 53.75 2msp s ASP 75 Cb -0.14 -1.36 0.12 0.00 -0.30 0.00 0.00 42.92 41.24 2msp s ASP 75 CO -0.08 -1.98 1.15 0.42 -0.17 0.00 0.00 175.17 174.50 2msp s THR 76 N -3.51 2.28 0.00 1.71 -4.23 -1.26 -4.87 115.64 105.76 2msp s THR 76 Ca 0.62 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 61.23 2msp s THR 76 Cb -0.12 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.45 2msp s THR 76 CO 0.50 -0.11 0.00 2.22 -0.54 0.00 0.00 174.62 176.68 2msp n PHE 77 N -3.91 0.00 -3.35 3.99 -1.74 -1.19 -5.02 117.46 106.24 2msp n PHE 77 Ca 0.12 0.00 -0.26 0.00 -0.56 0.00 0.00 57.45 56.75 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 0.36 -0.37 5.98 2.85 -1.26 -4.86 115.26 117.96 2msp n ASN 78 Ca 0.00 -2.65 0.37 0.00 -0.11 0.00 0.00 54.58 52.19 2msp n ASN 78 Cb 0.00 -0.61 0.66 0.00 1.24 0.00 0.00 39.78 41.07 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 4.81 3.22 0.00 5.20 0.00 -1.92 0.21 119.26 130.78 2msp h ALA 79 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2msp h ALA 79 Cb 0.87 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2msp h ALA 79 CO 0.47 -1.83 0.00 0.00 0.00 0.00 0.00 179.25 177.89 2msp n ALA 80 N -2.58 1.22 0.00 0.00 0.00 -1.26 -4.17 120.51 113.72 2msp n ALA 80 Ca 0.29 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2msp n ALA 80 Cb 1.56 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 19.67 2msp n ALA 80 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2msp n THR 81 N -2.26 0.00 -1.00 0.00 -2.24 0.69 -5.12 114.28 104.35 2msp n THR 81 Ca -0.00 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 2msp n THR 81 Cb 0.09 0.00 0.14 0.00 -2.10 0.00 0.00 70.33 68.46 2msp n THR 81 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2msp s GLU 82 N -1.00 1.36 0.33 -0.78 2.02 -0.88 -4.97 118.70 114.78 2msp s GLU 82 Ca 0.00 1.20 -0.27 0.00 0.02 0.00 0.00 54.97 55.93 2msp s GLU 82 Cb 0.00 -1.79 -0.09 0.00 0.10 0.00 0.00 34.13 32.34 2msp s GLU 82 CO 0.00 -2.28 1.03 0.34 0.02 0.00 0.00 175.26 174.37 2msp s ASP 83 N -3.08 7.12 0.00 -0.19 -1.08 -1.26 -4.87 116.67 113.30 2msp s ASP 83 Ca 0.64 2.04 0.00 0.00 -0.52 0.00 0.00 52.55 54.72 2msp s ASP 83 Cb -0.20 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.66 2msp s ASP 83 CO 0.58 -0.24 0.43 0.18 0.52 0.00 0.00 175.17 176.64 2msp n LEU 84 N 0.57 0.50 -0.11 -1.34 4.32 -1.26 -4.76 117.00 114.91 2msp n LEU 84 Ca 0.02 -0.50 0.10 0.00 -0.02 0.00 0.00 56.01 55.61 2msp n LEU 84 Cb 0.48 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.19 2msp n LEU 84 CO 0.48 0.12 0.03 0.59 -1.22 0.00 0.00 177.39 177.39 2msp n ASN 85 N -0.09 1.19 -1.25 -1.43 5.03 -1.26 -4.51 115.26 112.94 2msp n ASN 85 Ca 0.00 -1.09 -0.07 0.00 0.87 0.00 0.00 54.58 54.28 2msp n ASN 85 Cb 0.31 0.89 0.17 0.00 -1.02 0.00 0.00 39.78 40.12 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 -1.17 2.95 -4.84 6.41 3.02 -1.26 -5.00 115.26 115.37 2msp n ASN 86 Ca 0.05 -3.82 -0.31 0.00 -0.03 0.00 0.00 54.58 50.47 2msp n ASN 86 Cb 0.35 -0.59 -0.05 0.00 -0.61 0.00 0.00 39.78 38.87 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 -2.82 5.91 0.09 6.41 1.11 -1.26 -4.89 116.67 121.22 2msp s ASP 87 Ca 0.45 0.12 -0.17 0.00 0.18 0.00 0.00 52.55 53.14 2msp s ASP 87 Cb 0.41 -1.70 0.03 0.00 1.07 0.00 0.00 42.92 42.73 2msp s ASP 87 CO -0.01 0.18 0.40 -0.60 1.18 0.00 0.00 175.17 176.32 2msp s ARG 88 N -2.39 1.00 -0.12 8.23 3.52 -1.26 -2.95 118.95 124.98 2msp s ARG 88 Ca 0.31 -0.58 0.01 0.00 -0.13 0.00 0.00 55.73 55.35 2msp s ARG 88 Cb -0.13 0.44 0.02 0.00 -1.56 0.00 0.00 34.95 33.72 2msp s ARG 88 CO 0.24 -0.37 -0.15 0.42 -0.81 0.00 0.00 175.30 174.63 2msp s ILE 89 N -3.28 1.51 -0.21 4.11 1.01 0.69 -3.11 121.20 121.93 2msp s ILE 89 Ca -0.00 -0.64 -0.06 0.00 0.00 0.00 0.00 60.65 59.95 2msp s ILE 89 Cb 0.01 -1.39 -0.03 0.00 0.01 0.00 0.00 42.46 41.06 2msp s ILE 89 CO -0.08 0.45 0.02 0.00 0.00 0.00 0.00 174.94 175.33 2msp s ILE 91 N 1.07 3.06 -0.09 0.00 1.01 0.23 0.40 121.20 126.90 2msp s ILE 91 Ca 0.03 -0.70 0.04 0.00 0.00 0.00 0.00 60.65 60.02 2msp s ILE 91 Cb -0.14 -2.43 -0.01 0.00 0.01 0.00 0.00 42.46 39.89 2msp s ILE 91 CO 0.02 0.38 -0.20 -1.61 0.00 0.00 0.00 174.94 173.53 2msp s GLU 92 N 1.41 2.88 0.08 2.79 2.02 0.46 -0.31 118.70 128.04 2msp s GLU 92 Ca 0.04 -0.81 -0.12 0.00 0.02 0.00 0.00 54.97 54.11 2msp s GLU 92 Cb -0.15 -2.35 0.01 0.00 0.10 0.00 0.00 34.13 31.74 2msp s GLU 92 CO -0.05 0.33 0.27 1.67 0.02 0.00 0.00 175.26 177.50 2msp s TRP 93 N -0.00 -0.00 0.19 1.61 -2.14 -0.20 0.85 118.94 119.23 2msp s TRP 93 Ca -0.07 -0.32 -0.15 0.00 2.66 0.00 0.00 56.10 58.23 2msp s TRP 93 Cb -0.15 0.06 0.01 0.00 -3.10 0.00 0.00 33.47 30.29 2msp s TRP 93 CO 0.05 -0.57 0.45 -0.08 -2.66 0.00 0.00 176.95 174.14 2msp s THR 94 N -3.48 0.04 0.86 0.66 -1.32 -0.04 -0.87 115.64 111.49 2msp s THR 94 Ca 0.02 -1.01 -0.11 0.00 -1.21 0.00 0.00 61.69 59.37 2msp s THR 94 Cb 0.02 -1.70 0.11 0.00 -1.51 0.00 0.00 72.50 69.43 2msp s THR 94 CO -0.09 -0.17 1.09 0.20 -2.21 0.00 0.00 174.62 173.44 2msp s ASN 95 N -2.91 3.81 0.07 8.08 -0.87 -1.26 -0.13 114.94 121.73 2msp s ASN 95 Ca 0.12 1.44 0.03 0.00 -1.57 0.00 0.00 52.86 52.89 2msp s ASN 95 Cb 0.00 -2.13 -0.04 0.00 -0.02 0.00 0.00 41.25 39.06 2msp s ASN 95 CO -0.01 -2.42 0.04 0.42 -2.57 0.00 0.00 177.10 172.56 2msp s THR 96 N -3.00 4.32 0.11 1.60 -4.23 -1.23 -4.67 115.64 108.53 2msp s THR 96 Ca 0.63 -0.82 -0.36 0.00 -1.18 0.00 0.00 61.69 59.96 2msp s THR 96 Cb -0.17 -3.06 -0.16 0.00 1.34 0.00 0.00 72.50 70.45 2msp s THR 96 CO 0.56 0.16 1.32 -2.65 -0.54 0.00 0.00 174.62 173.47 2msp n PRO 97 N 0.61 1.23 -0.14 3.99 -0.01 -1.26 -4.77 135.00 134.65 2msp n PRO 97 Ca -0.10 0.44 0.11 0.00 -0.01 0.00 0.00 63.50 63.94 2msp n PRO 97 Cb 0.52 -2.06 0.19 0.00 -0.01 0.00 0.00 33.50 32.13 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 2.47 0.04 -3.46 2.55 8.00 -1.26 -1.92 116.55 122.97 2msp n ASP 98 Ca 0.18 0.32 -0.27 0.00 0.71 0.00 0.00 54.79 55.72 2msp n ASP 98 Cb 0.21 -0.16 -0.10 0.00 -0.02 0.00 0.00 41.12 41.05 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 -3.28 1.43 0.22 0.44 0.00 -1.26 -5.11 107.32 99.75 2msp s GLY 99 Ca -0.02 -2.64 0.07 0.00 0.00 0.00 0.00 44.72 42.13 2msp s GLY 99 CO 0.22 1.99 0.13 0.00 0.00 0.00 0.00 173.10 175.43 2msp s ALA 100 N -0.15 3.46 -0.18 3.20 0.00 -0.81 -5.09 121.76 122.20 2msp s ALA 100 Ca 0.32 -1.40 -0.11 0.00 0.00 0.00 0.00 51.96 50.76 2msp s ALA 100 Cb 0.03 -1.19 -0.05 0.00 0.00 0.00 0.00 23.12 21.91 2msp s ALA 100 CO -0.20 0.34 0.20 0.00 0.00 0.00 0.00 175.76 176.11 2msp s ALA 101 N -2.03 3.66 -0.87 0.00 0.00 -1.26 -4.97 121.76 116.30 2msp s ALA 101 Ca 0.31 -0.58 -0.25 0.00 0.00 0.00 0.00 51.96 51.44 2msp s ALA 101 Cb -0.08 -2.25 -0.18 0.00 0.00 0.00 0.00 23.12 20.61 2msp s ALA 101 CO 0.23 0.16 2.28 1.63 0.00 0.00 0.00 175.76 180.07 2msp n LYS 102 N 3.42 0.38 -3.31 0.00 5.02 -1.26 -4.60 118.16 117.82 2msp n LYS 102 Ca -0.15 -1.06 0.02 0.00 -2.02 0.00 0.00 58.31 55.11 2msp n LYS 102 Cb 0.52 -3.60 -0.04 0.00 -0.02 0.00 0.00 35.03 31.90 2msp n LYS 102 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2msp s GLN 103 N 8.65 0.19 0.27 1.97 0.74 -1.26 -5.06 119.66 125.15 2msp s GLN 103 Ca 0.89 0.47 -0.31 0.00 0.05 0.00 0.00 55.36 56.46 2msp s GLN 103 Cb -0.14 0.28 -0.12 0.00 1.10 0.00 0.00 33.01 34.14 2msp s GLN 103 CO 0.13 -0.07 1.64 0.34 -0.55 0.00 0.00 175.29 176.79 2msp n PHE 104 N 4.81 2.85 -3.86 1.67 7.35 -1.26 -4.98 117.46 124.03 2msp n PHE 104 Ca -0.08 0.18 -0.30 0.00 -0.76 0.00 0.00 57.45 56.49 2msp n PHE 104 Cb 0.54 -2.63 -0.15 0.00 0.35 0.00 0.00 39.48 37.59 2msp n PHE 104 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2msp s ARG 105 N 0.01 1.15 0.32 -4.13 0.52 -1.26 -5.01 118.95 110.55 2msp s ARG 105 Ca 0.67 -1.22 0.15 0.00 -0.52 0.00 0.00 55.73 54.81 2msp s ARG 105 Cb -0.49 -2.48 1.09 0.00 0.52 0.00 0.00 34.95 33.59 2msp s ARG 105 CO 0.43 -0.85 1.41 -2.13 0.02 0.00 0.00 175.30 174.18 2msp n ARG 106 N 4.66 -0.06 -0.29 3.54 3.00 -1.26 -0.12 116.66 126.14 2msp n ARG 106 Ca -0.04 1.25 0.09 0.00 -0.00 0.00 0.00 57.85 59.15 2msp n ARG 106 Cb 0.43 -2.19 0.21 0.00 0.00 0.00 0.00 32.46 30.91 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 0.10 -1.79 -0.14 3.07 -1.99 -0.36 114.58 113.47 2msp h GLU 107 Ca 0.71 -0.01 0.52 0.00 -0.50 0.00 0.00 59.36 60.09 2msp h GLU 107 Cb 1.82 -0.02 -0.07 0.00 -0.84 0.00 0.00 28.75 29.64 2msp h GLU 107 CO -0.72 0.07 1.32 -1.49 -1.40 0.00 0.00 179.01 176.79 2msp h TRP 108 N 0.10 0.00 0.08 4.33 6.55 -0.94 0.68 115.95 126.76 2msp h TRP 108 Ca 0.48 0.00 -0.22 0.00 0.95 0.00 0.00 58.89 60.10 2msp h TRP 108 Cb 0.90 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.20 2msp h TRP 108 CO -0.42 0.00 -1.12 0.74 -1.05 0.00 0.00 178.44 176.59 2msp h PHE 109 N 0.00 0.32 -0.91 0.49 -1.00 -1.26 -3.35 116.94 111.23 2msp h PHE 109 Ca 0.85 -0.23 0.11 0.00 2.81 0.00 0.00 57.97 61.51 2msp h PHE 109 Cb 3.49 -0.01 -0.08 0.00 3.61 0.00 0.00 35.95 42.95 2msp h PHE 109 CO 0.00 1.44 0.54 1.96 -1.61 0.00 0.00 178.31 180.64 2msp h GLN 110 N -0.53 0.84 0.00 1.51 4.20 0.23 -3.45 115.11 117.91 2msp h GLN 110 Ca -0.25 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.41 2msp h GLN 110 Cb 1.56 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 29.15 2msp h GLN 110 CO 0.01 0.56 0.00 0.41 -0.67 0.00 0.00 178.83 179.14 2msp n GLY 111 N -1.33 -1.59 3.34 3.46 0.00 0.24 -4.93 105.19 104.39 2msp n GLY 111 Ca 0.16 -0.53 -0.46 0.00 0.00 0.00 0.00 46.02 45.20 2msp n GLY 111 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2msp s ASP 112 N -1.73 6.46 0.00 1.61 2.15 -1.26 -4.99 116.67 118.91 2msp s ASP 112 Ca 0.00 -2.09 0.00 0.00 0.43 0.00 0.00 52.55 50.89 2msp s ASP 112 Cb 0.00 -2.25 0.00 0.00 -0.30 0.00 0.00 42.92 40.37 2msp s ASP 112 CO 0.00 -0.82 0.00 0.61 -0.17 0.00 0.00 175.17 174.79 2msp n GLY 113 N 4.78 -1.05 3.85 2.66 0.00 -1.26 -4.46 105.19 109.71 2msp n GLY 113 Ca 0.02 -0.87 -0.36 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.57 3.89 -0.06 1.61 -1.94 -1.26 -4.95 119.30 116.03 2msp s MET 114 Ca 0.00 0.37 0.01 0.00 -1.71 0.00 0.00 55.69 54.36 2msp s MET 114 Cb 0.00 -3.09 0.02 0.00 2.01 0.00 0.00 34.83 33.77 2msp s MET 114 CO 0.00 0.60 -0.06 0.08 -0.01 0.00 0.00 175.02 175.63 2msp s VAL 115 N -1.26 0.69 0.04 -6.03 1.01 -1.26 -4.68 120.40 108.91 2msp s VAL 115 Ca 0.30 -0.19 -0.00 0.00 0.00 0.00 0.00 61.98 62.08 2msp s VAL 115 Cb -0.16 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 2msp s VAL 115 CO 0.16 0.27 0.17 -0.60 0.00 0.00 0.00 175.10 175.10 2msp s ARG 116 N 1.00 3.33 0.13 2.72 3.52 -0.05 -4.96 118.95 124.63 2msp s ARG 116 Ca -0.10 -0.45 0.05 0.00 -0.13 0.00 0.00 55.73 55.10 2msp s ARG 116 Cb -0.14 -2.99 -0.04 0.00 -1.56 0.00 0.00 34.95 30.21 2msp s ARG 116 CO -0.00 0.62 -0.12 1.03 -0.81 0.00 0.00 175.30 176.02 2msp s ARG 117 N -2.28 1.00 -0.12 5.12 0.52 -1.26 -1.04 118.95 120.89 2msp s ARG 117 Ca 0.31 -1.29 -0.08 0.00 -0.52 0.00 0.00 55.73 54.15 2msp s ARG 117 Cb -0.13 -0.73 0.04 0.00 0.52 0.00 0.00 34.95 34.65 2msp s ARG 117 CO 0.24 0.12 0.29 0.21 0.02 0.00 0.00 175.30 176.18 2msp s LYS 118 N -3.06 0.29 -0.13 3.54 2.20 0.58 -5.00 119.74 118.16 2msp s LYS 118 Ca 0.11 0.54 -0.03 0.00 -0.36 0.00 0.00 55.97 56.22 2msp s LYS 118 Cb -0.02 0.00 -0.03 0.00 -1.51 0.00 0.00 37.83 36.27 2msp s LYS 118 CO 0.02 -0.12 -0.03 -0.80 -0.36 0.00 0.00 175.35 174.06 2msp s ASN 119 N 0.89 4.93 -0.28 1.43 0.01 -1.26 -0.60 114.94 120.06 2msp s ASN 119 Ca -0.06 -0.04 0.03 0.00 -0.71 0.00 0.00 52.86 52.08 2msp s ASN 119 Cb -0.07 -1.66 0.07 0.00 0.41 0.00 0.00 41.25 40.01 2msp s ASN 119 CO -0.06 0.24 -0.06 -0.76 -1.51 0.00 0.00 177.10 174.95 2msp s LEU 120 N -0.04 3.82 0.29 0.60 1.43 0.49 -4.86 118.68 120.41 2msp s LEU 120 Ca 0.02 -1.63 -0.18 0.00 -1.03 0.00 0.00 54.13 51.31 2msp s LEU 120 Cb -0.13 -1.56 -0.09 0.00 0.03 0.00 0.00 46.19 44.44 2msp s LEU 120 CO 0.02 -0.25 0.76 -2.16 0.23 0.00 0.00 176.35 174.95 2msp s PRO 121 N 1.05 4.16 -0.16 1.29 0.04 -1.26 0.25 135.00 140.37 2msp s PRO 121 Ca -0.03 0.83 -0.17 0.00 0.04 0.00 0.00 61.00 61.67 2msp s PRO 121 Cb -0.20 -2.62 -0.04 0.00 0.04 0.00 0.00 34.50 31.68 2msp s PRO 121 CO -0.06 0.25 0.43 0.42 0.04 0.00 0.00 177.00 178.07 2msp s ILE 122 N -1.79 5.20 -0.25 0.56 1.09 -1.15 -1.29 121.20 123.57 2msp s ILE 122 Ca 0.50 0.81 -0.06 0.00 -1.10 0.00 0.00 60.65 60.80 2msp s ILE 122 Cb -0.13 -3.76 -0.01 0.00 -1.06 0.00 0.00 42.46 37.50 2msp s ILE 122 CO 0.19 0.30 0.03 -0.70 -0.10 0.00 0.00 174.94 174.65 2msp s GLU 123 N 0.92 3.36 -0.26 2.79 2.12 0.72 -4.60 118.70 123.74 2msp s GLU 123 Ca 0.22 -0.66 -0.21 0.00 0.36 0.00 0.00 54.97 54.68 2msp s GLU 123 Cb -0.15 -3.21 -0.02 0.00 0.26 0.00 0.00 34.13 31.02 2msp s GLU 123 CO 0.08 -0.27 0.65 0.71 -0.54 0.00 0.00 175.26 175.89 2msp s TYR 124 N 1.52 3.28 -0.32 5.30 2.02 -1.26 0.39 117.35 128.27 2msp s TYR 124 Ca 0.05 0.83 -0.10 0.00 -0.37 0.00 0.00 57.07 57.48 2msp s TYR 124 Cb -0.15 -2.88 -0.00 0.00 -0.40 0.00 0.00 41.96 38.53 2msp s TYR 124 CO 0.00 -0.35 0.16 1.21 -1.57 0.00 0.00 175.55 175.01 2msp s ASN 125 N 1.47 5.58 0.00 2.29 2.47 0.35 -4.93 114.94 122.17 2msp s ASN 125 Ca 0.27 -0.59 0.26 0.00 0.42 0.00 0.00 52.86 53.22 2msp s ASN 125 Cb -0.15 -2.01 0.63 0.00 -1.45 0.00 0.00 41.25 38.27 2msp s ASN 125 CO 0.09 -0.22 1.51 0.18 -3.72 0.00 0.00 177.10 174.93