#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 2.24 0.30 -3.33 -7.23 -1.26 -4.97 120.40 106.15 2msp s VAL 4 Ca 0.00 -1.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.90 2msp s VAL 4 Cb 0.00 -1.83 -0.14 0.00 0.56 0.00 0.00 36.38 34.97 2msp s VAL 4 CO 0.00 0.57 0.91 -0.81 -0.31 0.00 0.00 175.10 175.46 2msp n PRO 5 N 2.90 1.12 -1.64 4.82 -0.04 -1.26 -4.84 135.00 136.06 2msp n PRO 5 Ca -0.17 0.40 -0.30 0.00 -0.04 0.00 0.00 63.50 63.38 2msp n PRO 5 Cb 0.52 -1.73 0.07 0.00 -0.04 0.00 0.00 33.50 32.32 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 -1.53 2.45 0.75 0.54 0.05 -1.26 -5.01 135.00 131.00 2msp s PRO 6 Ca 0.60 0.65 -0.10 0.00 0.05 0.00 0.00 61.00 62.20 2msp s PRO 6 Cb -0.71 -1.96 0.06 0.00 0.05 0.00 0.00 34.50 31.94 2msp s PRO 6 CO 0.59 -1.37 1.11 0.20 0.05 0.00 0.00 177.00 177.58 2msp s GLY 7 N -4.00 1.62 0.54 0.56 0.00 -1.26 -5.06 107.32 99.72 2msp s GLY 7 Ca 0.60 -0.65 -0.05 0.00 0.00 0.00 0.00 44.72 44.62 2msp s GLY 7 CO 0.54 -0.21 0.84 0.51 0.00 0.00 0.00 173.10 174.77 2msp s ASP 8 N -4.50 5.86 0.30 1.64 1.47 -1.26 -4.77 116.67 115.40 2msp s ASP 8 Ca 0.60 0.75 0.11 0.00 1.18 0.00 0.00 52.55 55.19 2msp s ASP 8 Cb -0.11 -1.88 -0.06 0.00 -0.34 0.00 0.00 42.92 40.53 2msp s ASP 8 CO 0.48 -0.86 -0.15 0.27 0.68 0.00 0.00 175.17 175.59 2msp s ILE 9 N -2.86 2.35 -0.05 2.11 -4.36 -1.26 -1.58 121.20 115.54 2msp s ILE 9 Ca 0.51 -2.32 0.06 0.00 -0.26 0.00 0.00 60.65 58.64 2msp s ILE 9 Cb -0.10 -2.43 -0.02 0.00 1.25 0.00 0.00 42.46 41.16 2msp s ILE 9 CO 0.44 -0.33 -0.22 0.20 0.24 0.00 0.00 174.94 175.28 2msp s ASN 10 N -3.54 3.37 0.13 4.36 0.01 0.81 -4.87 114.94 115.21 2msp s ASN 10 Ca 0.31 -0.41 0.09 0.00 -0.71 0.00 0.00 52.86 52.14 2msp s ASN 10 Cb -0.02 -0.74 -0.04 0.00 0.41 0.00 0.00 41.25 40.87 2msp s ASN 10 CO 0.15 0.29 -0.21 0.42 -1.51 0.00 0.00 177.10 176.24 2msp s THR 11 N -0.41 1.84 -0.16 1.60 -4.23 -1.26 -0.20 115.64 112.82 2msp s THR 11 Ca 0.04 -1.68 -0.02 0.00 -1.18 0.00 0.00 61.69 58.85 2msp s THR 11 Cb -0.12 -1.71 0.05 0.00 1.34 0.00 0.00 72.50 72.06 2msp s THR 11 CO 0.02 -0.10 0.01 -1.10 -0.54 0.00 0.00 174.62 172.90 2msp s GLN 12 N -2.18 0.82 1.19 3.99 -0.21 -0.77 -2.41 119.66 120.10 2msp s GLN 12 Ca 0.10 -0.35 -0.20 0.00 0.02 0.00 0.00 55.36 54.94 2msp s GLN 12 Cb -0.09 -1.87 0.31 0.00 1.00 0.00 0.00 33.01 32.36 2msp s GLN 12 CO 0.05 -0.53 0.73 -0.35 -2.12 0.00 0.00 175.29 173.08 2msp n PRO 13 N 5.03 -4.21 -2.10 2.91 -0.04 -1.26 -1.16 135.00 134.17 2msp n PRO 13 Ca -0.09 -1.23 -0.08 0.00 -0.04 0.00 0.00 63.50 62.07 2msp n PRO 13 Cb 0.48 -1.53 0.05 0.00 -0.04 0.00 0.00 33.50 32.46 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 -4.61 3.77 0.00 0.55 0.00 -1.01 -4.82 105.19 99.06 2msp n GLY 14 Ca 0.11 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.56 0.00 -1.93 1.61 7.64 -1.26 -4.97 113.62 114.14 2msp n SER 15 Ca 0.22 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.07 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 -0.58 0.37 -3.67 1.43 2.85 -1.26 -4.23 118.16 113.06 2msp n LYS 16 Ca 0.00 -0.78 -0.09 0.00 -1.05 0.00 0.00 58.31 56.39 2msp n LYS 16 Cb 0.00 1.02 -0.09 0.00 -0.65 0.00 0.00 35.03 35.31 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 -2.44 -0.23 -0.14 0.58 -1.16 -0.54 -4.61 121.20 112.65 2msp s ILE 17 Ca 0.09 0.09 -0.06 0.00 -0.51 0.00 0.00 60.65 60.26 2msp s ILE 17 Cb -0.02 -0.72 -0.04 0.00 0.61 0.00 0.00 42.46 42.29 2msp s ILE 17 CO 0.04 0.04 0.06 -0.69 -2.81 0.00 0.00 174.94 171.57 2msp s VAL 18 N 1.83 4.82 -0.23 4.00 1.01 -1.26 -0.45 120.40 130.11 2msp s VAL 18 Ca -0.08 -0.04 -0.05 0.00 0.00 0.00 0.00 61.98 61.82 2msp s VAL 18 Cb -0.09 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.16 2msp s VAL 18 CO -0.15 0.53 -0.00 -0.36 0.00 0.00 0.00 175.10 175.13 2msp s PHE 19 N -0.27 3.00 -0.04 5.22 0.40 0.43 -4.96 117.98 121.76 2msp s PHE 19 Ca 0.08 -0.76 -0.13 0.00 -0.60 0.00 0.00 56.93 55.52 2msp s PHE 19 Cb -0.12 -2.15 -0.05 0.00 0.51 0.00 0.00 43.02 41.21 2msp s PHE 19 CO 0.01 -0.48 0.35 -0.80 0.70 0.00 0.00 175.22 175.00 2msp s ASN 20 N 1.53 6.69 1.15 1.36 0.01 -1.26 0.41 114.94 124.82 2msp s ASN 20 Ca 0.06 0.82 -0.16 0.00 -0.71 0.00 0.00 52.86 52.86 2msp s ASN 20 Cb -0.15 -2.21 0.26 0.00 0.41 0.00 0.00 41.25 39.56 2msp s ASN 20 CO -0.01 0.31 1.08 0.00 -1.51 0.00 0.00 177.10 176.97 2msp s ALA 21 N -0.85 0.49 0.51 0.60 0.00 -0.12 -4.70 121.76 117.68 2msp s ALA 21 Ca 0.21 -0.66 -0.13 0.00 0.00 0.00 0.00 51.96 51.38 2msp s ALA 21 Cb -0.15 -3.00 -0.06 0.00 0.00 0.00 0.00 23.12 19.90 2msp s ALA 21 CO 0.10 -3.45 0.93 -1.25 0.00 0.00 0.00 175.76 172.10 2msp s PRO 22 N -5.13 3.79 -0.98 0.00 0.04 -1.26 -5.06 135.00 126.40 2msp s PRO 22 Ca 0.68 0.73 -0.01 0.00 0.04 0.00 0.00 61.00 62.45 2msp s PRO 22 Cb -0.15 -2.20 0.31 0.00 0.04 0.00 0.00 34.50 32.51 2msp s PRO 22 CO 0.58 -0.28 1.56 0.66 0.04 0.00 0.00 177.00 179.55 2msp n TYR 23 N -1.84 2.75 -1.90 0.56 4.01 -1.26 -4.52 117.16 114.96 2msp n TYR 23 Ca 0.05 -2.79 0.05 0.00 -0.16 0.00 0.00 57.90 55.04 2msp n TYR 23 Cb 0.54 -1.11 0.09 0.00 -0.31 0.00 0.00 39.34 38.55 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 0.47 1.24 -3.60 7.72 5.68 -1.26 -3.15 116.55 123.64 2msp n ASP 24 Ca 0.37 -2.74 -0.14 0.00 -0.50 0.00 0.00 54.79 51.78 2msp n ASP 24 Cb 0.31 -0.37 -0.07 0.00 -1.14 0.00 0.00 41.12 39.85 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 -2.31 -0.63 -0.24 -1.12 -1.08 -1.26 -4.98 116.67 105.05 2msp s ASP 25 Ca 0.28 1.05 -0.28 0.00 -0.52 0.00 0.00 52.55 53.08 2msp s ASP 25 Cb 0.29 1.00 -0.04 0.00 -1.46 0.00 0.00 42.92 42.71 2msp s ASP 25 CO -0.07 -0.32 2.09 -0.75 0.52 0.00 0.00 175.17 176.63 2msp s LYS 26 N -0.18 3.24 0.07 4.34 2.20 -1.26 -4.44 119.74 123.71 2msp s LYS 26 Ca -0.02 1.89 -0.08 0.00 -0.36 0.00 0.00 55.97 57.40 2msp s LYS 26 Cb -0.03 -4.31 -0.05 0.00 -1.51 0.00 0.00 37.83 31.92 2msp s LYS 26 CO 0.02 -1.98 0.35 -1.58 -0.36 0.00 0.00 175.35 171.81 2msp s HIS 27 N 7.71 3.56 -0.32 4.03 2.46 -0.65 -4.88 115.29 127.19 2msp s HIS 27 Ca 0.94 0.67 0.02 0.00 0.47 0.00 0.00 55.06 57.17 2msp s HIS 27 Cb -0.30 -2.07 0.10 0.00 -0.13 0.00 0.00 32.58 30.17 2msp s HIS 27 CO 0.35 0.53 0.05 0.99 -2.47 0.00 0.00 174.74 174.19 2msp s THR 28 N -1.42 1.84 0.66 0.89 2.01 -1.26 -1.14 115.64 117.23 2msp s THR 28 Ca 0.33 -1.99 -0.02 0.00 0.31 0.00 0.00 61.69 60.33 2msp s THR 28 Cb -0.13 -2.34 0.08 0.00 0.01 0.00 0.00 72.50 70.12 2msp s THR 28 CO 0.19 -0.57 0.93 -0.31 -0.69 0.00 0.00 174.62 174.17 2msp s TYR 29 N 1.14 2.28 0.17 4.92 1.51 0.17 -4.87 117.35 122.67 2msp s TYR 29 Ca 0.09 -0.04 0.06 0.00 -1.01 0.00 0.00 57.07 56.17 2msp s TYR 29 Cb -0.19 -2.98 -0.05 0.00 -0.11 0.00 0.00 41.96 38.64 2msp s TYR 29 CO -0.12 -1.38 -0.12 -1.01 -1.11 0.00 0.00 175.55 171.80 2msp s HIS 30 N -3.05 1.44 0.01 2.71 3.76 -1.26 -0.63 115.29 118.27 2msp s HIS 30 Ca 0.62 -0.68 0.00 0.00 -0.15 0.00 0.00 55.06 54.85 2msp s HIS 30 Cb -0.08 -0.70 -0.01 0.00 1.11 0.00 0.00 32.58 32.90 2msp s HIS 30 CO 0.42 0.19 -0.02 0.42 -0.85 0.00 0.00 174.74 174.90 2msp s ILE 31 N -3.17 0.13 -0.23 0.60 1.01 0.12 -4.65 121.20 115.01 2msp s ILE 31 Ca 0.19 -0.41 -0.05 0.00 0.00 0.00 0.00 60.65 60.38 2msp s ILE 31 Cb 0.01 -0.18 -0.02 0.00 0.01 0.00 0.00 42.46 42.28 2msp s ILE 31 CO 0.03 -0.18 0.01 -0.75 0.00 0.00 0.00 174.94 174.05 2msp s LYS 32 N -0.61 3.51 -0.18 2.79 2.20 -0.31 -0.00 119.74 127.14 2msp s LYS 32 Ca -0.06 -0.55 -0.07 0.00 -0.36 0.00 0.00 55.97 54.93 2msp s LYS 32 Cb -0.04 -3.16 -0.04 0.00 -1.51 0.00 0.00 37.83 33.08 2msp s LYS 32 CO -0.00 -0.19 0.06 0.42 -0.36 0.00 0.00 175.35 175.28 2msp s ILE 33 N 1.54 4.77 -0.05 5.43 1.01 0.15 -1.85 121.20 132.20 2msp s ILE 33 Ca 0.06 -0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.69 2msp s ILE 33 Cb -0.15 -3.15 0.02 0.00 0.01 0.00 0.00 42.46 39.20 2msp s ILE 33 CO -0.00 0.47 -0.08 -0.89 0.00 0.00 0.00 174.94 174.44 2msp s THR 34 N 0.31 0.83 -0.87 2.92 2.01 0.72 -0.07 115.64 121.48 2msp s THR 34 Ca 0.03 -0.30 -0.25 0.00 0.31 0.00 0.00 61.69 61.49 2msp s THR 34 Cb -0.12 -0.79 0.03 0.00 0.01 0.00 0.00 72.50 71.62 2msp s THR 34 CO 0.00 0.29 1.46 0.21 -0.69 0.00 0.00 174.62 175.89 2msp s ASN 35 N 0.78 6.14 0.29 3.53 3.84 -0.38 -0.13 114.94 129.00 2msp s ASN 35 Ca -0.13 -0.84 0.26 0.00 0.21 0.00 0.00 52.86 52.35 2msp s ASN 35 Cb -0.15 -2.56 0.90 0.00 -0.55 0.00 0.00 41.25 38.89 2msp s ASN 35 CO 0.02 -1.82 1.76 0.00 -2.79 0.00 0.00 177.10 174.26 2msp h ALA 36 N 10.45 1.00 -2.08 1.71 0.00 -1.61 0.37 119.26 129.10 2msp h ALA 36 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.46 2msp h ALA 36 Cb 1.04 0.00 0.19 0.00 0.00 0.00 0.00 17.79 19.02 2msp h ALA 36 CO 1.33 0.00 0.09 0.20 0.00 0.00 0.00 179.25 180.87 2msp s GLY 37 N -3.69 1.54 -0.06 0.00 0.00 -1.04 -4.79 107.32 99.29 2msp s GLY 37 Ca 0.07 -0.76 0.18 0.00 0.00 0.00 0.00 44.72 44.20 2msp s GLY 37 CO 0.51 0.09 0.48 0.61 0.00 0.00 0.00 173.10 174.79 2msp n GLY 38 N -0.41 -1.07 3.72 0.20 0.00 -1.26 -4.23 105.19 102.13 2msp n GLY 38 Ca 0.11 -0.25 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.83 2.25 1.14 1.61 0.52 -1.26 -4.77 118.95 115.60 2msp s ARG 39 Ca -0.06 -1.72 -0.16 0.00 -0.52 0.00 0.00 55.73 53.26 2msp s ARG 39 Cb 0.09 -2.04 0.17 0.00 0.52 0.00 0.00 34.95 33.69 2msp s ARG 39 CO 0.84 0.01 0.39 0.54 0.02 0.00 0.00 175.30 177.10 2msp n ARG 40 N -1.15 -1.91 -3.67 3.54 1.74 -1.26 -4.40 116.66 109.55 2msp n ARG 40 Ca -0.02 -0.54 -0.10 0.00 -0.77 0.00 0.00 57.85 56.42 2msp n ARG 40 Cb 0.63 -1.88 -0.05 0.00 -1.02 0.00 0.00 32.46 30.14 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 -2.30 0.08 -0.06 0.55 -4.36 -0.29 -3.53 121.20 111.28 2msp s ILE 41 Ca 0.61 -0.64 0.04 0.00 -0.26 0.00 0.00 60.65 60.39 2msp s ILE 41 Cb -0.17 -1.17 0.00 0.00 1.25 0.00 0.00 42.46 42.37 2msp s ILE 41 CO 0.66 -0.36 -0.18 -0.83 0.24 0.00 0.00 174.94 174.47 2msp s GLY 42 N -2.73 1.02 0.05 6.27 0.00 0.12 -1.42 107.32 110.62 2msp s GLY 42 Ca 0.02 -0.71 0.02 0.00 0.00 0.00 0.00 44.72 44.05 2msp s GLY 42 CO -0.11 -0.24 -0.07 0.66 0.00 0.00 0.00 173.10 173.34 2msp s TRP 43 N 0.27 0.64 -0.00 1.90 1.48 0.15 -0.94 118.94 122.44 2msp s TRP 43 Ca -0.10 -0.58 -0.14 0.00 -1.06 0.00 0.00 56.10 54.21 2msp s TRP 43 Cb -0.14 -0.39 0.02 0.00 -1.16 0.00 0.00 33.47 31.80 2msp s TRP 43 CO 0.04 -0.12 0.30 0.00 -4.06 0.00 0.00 176.95 173.12 2msp s ALA 44 N -1.77 -0.74 -0.07 2.67 0.00 0.14 0.47 121.76 122.47 2msp s ALA 44 Ca -0.07 0.24 -0.02 0.00 0.00 0.00 0.00 51.96 52.10 2msp s ALA 44 Cb -0.07 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 2msp s ALA 44 CO -0.01 -0.29 0.03 0.42 0.00 0.00 0.00 175.76 175.91 2msp s ILE 45 N -1.57 4.46 -0.03 0.00 -1.09 -0.02 -1.01 121.20 121.94 2msp s ILE 45 Ca -0.12 -0.27 0.01 0.00 -2.23 0.00 0.00 60.65 58.04 2msp s ILE 45 Cb -0.04 -2.92 0.01 0.00 -1.58 0.00 0.00 42.46 37.93 2msp s ILE 45 CO 0.03 0.54 -0.04 -0.75 -1.23 0.00 0.00 174.94 173.48 2msp s LYS 46 N -1.10 0.64 0.33 2.79 2.20 0.55 -4.96 119.74 120.19 2msp s LYS 46 Ca 0.16 -0.12 0.03 0.00 -0.36 0.00 0.00 55.97 55.68 2msp s LYS 46 Cb -0.11 -0.66 0.03 0.00 -1.51 0.00 0.00 37.83 35.58 2msp s LYS 46 CO 0.05 -0.01 0.28 0.25 -0.36 0.00 0.00 175.35 175.56 2msp n THR 47 N 3.65 0.00 0.22 3.43 -2.24 -1.26 0.17 114.28 118.24 2msp n THR 47 Ca -0.21 -1.29 0.03 0.00 -2.27 0.00 0.00 64.05 60.31 2msp n THR 47 Cb 0.53 -0.28 0.04 0.00 -2.10 0.00 0.00 70.33 68.52 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 -1.34 0.16 -3.12 4.28 -1.04 -1.20 -4.78 114.28 107.23 2msp n THR 48 Ca 0.00 -0.58 -0.18 0.00 -2.04 0.00 0.00 64.05 61.26 2msp n THR 48 Cb 0.37 1.04 -0.05 0.00 -1.82 0.00 0.00 70.33 69.87 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 0.33 -1.67 0.02 8.00 2.85 -1.26 -4.93 115.26 118.60 2msp n ASN 49 Ca 0.04 -2.62 0.20 0.00 -0.11 0.00 0.00 54.58 52.09 2msp n ASN 49 Cb 0.20 0.40 0.70 0.00 1.24 0.00 0.00 39.78 42.31 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 5.26 0.00 0.01 1.20 2.86 -1.86 0.28 114.93 122.69 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 0.00 176.91 178.20 2msp h ARG 51 N 0.00 -0.02 0.00 1.72 3.08 -2.01 -3.40 114.38 113.76 2msp h ARG 51 Ca 0.24 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.20 2msp h ARG 51 Cb 0.99 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.03 2msp h ARG 51 CO -0.00 0.34 -0.64 -0.09 -1.07 0.00 0.00 179.97 178.51 2msp h ARG 52 N -0.38 0.00 -7.17 0.04 2.43 -1.75 -3.47 114.38 104.07 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 0.00 0.52 0.15 -0.51 -1.51 0.00 0.00 179.97 178.62 2msp s LEU 53 N -8.14 2.95 -0.24 3.80 1.43 0.01 -2.34 118.68 116.14 2msp s LEU 53 Ca -0.18 0.27 -0.26 0.00 -1.03 0.00 0.00 54.13 52.93 2msp s LEU 53 Cb 0.02 -2.95 0.07 0.00 0.03 0.00 0.00 46.19 43.37 2msp s LEU 53 CO 0.39 -1.52 0.73 -0.83 0.23 0.00 0.00 176.35 175.35 2msp s GLY 54 N -4.52 -0.53 0.29 -3.19 0.00 -1.09 -4.62 107.32 93.66 2msp s GLY 54 Ca 0.60 1.97 0.08 0.00 0.00 0.00 0.00 44.72 47.37 2msp s GLY 54 CO 0.43 1.66 -0.09 0.14 0.00 0.00 0.00 173.10 175.24 2msp s VAL 55 N 0.18 1.86 0.00 1.40 1.01 -1.26 -1.31 120.40 122.28 2msp s VAL 55 Ca -0.01 -2.18 0.00 0.00 0.00 0.00 0.00 61.98 59.79 2msp s VAL 55 Cb -0.04 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.90 2msp s VAL 55 CO 0.02 -0.32 0.00 -0.67 0.00 0.00 0.00 175.10 174.13 2msp n ASP 56 N -0.61 0.00 -4.82 3.32 2.03 -1.19 -4.55 116.55 110.74 2msp n ASP 56 Ca -0.06 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 0.02 -0.67 0.04 -1.26 -1.12 135.00 135.85 2msp s PRO 57 Ca 0.00 1.13 0.27 0.00 0.04 0.00 0.00 61.00 62.44 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 0.00 177.00 176.08 2msp n PRO 58 N -1.35 0.03 -3.56 0.56 -0.02 -1.26 -4.88 135.00 124.52 2msp n PRO 58 Ca 0.08 0.02 -0.10 0.00 -2.02 0.00 0.00 63.50 61.48 2msp n PRO 58 Cb 0.53 -1.53 -0.04 0.00 -0.02 0.00 0.00 33.50 32.44 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 -3.16 -0.35 0.06 2.55 1.04 -1.26 -0.84 113.70 111.73 2msp s SER 59 Ca 0.12 0.27 -0.11 0.00 0.48 0.00 0.00 55.95 56.71 2msp s SER 59 Cb 0.18 0.31 0.04 0.00 0.10 0.00 0.00 66.02 66.65 2msp s SER 59 CO 0.60 -0.41 0.53 0.61 0.98 0.00 0.00 173.24 175.55 2msp n GLY 60 N 0.41 0.80 3.29 7.32 0.00 0.18 -4.92 105.19 112.28 2msp n GLY 60 Ca -0.09 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.25 2.15 -0.05 1.61 1.01 -1.26 0.34 120.40 121.95 2msp s VAL 61 Ca 0.12 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.07 2msp s VAL 61 Cb -0.01 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.61 2msp s VAL 61 CO 0.02 0.57 -0.06 -0.76 0.00 0.00 0.00 175.10 174.87 2msp s LEU 62 N -0.23 1.37 0.00 3.92 1.02 -0.51 -4.97 118.68 119.28 2msp s LEU 62 Ca -0.01 -0.16 -0.04 0.00 0.02 0.00 0.00 54.13 53.94 2msp s LEU 62 Cb -0.13 -0.52 0.05 0.00 0.02 0.00 0.00 46.19 45.61 2msp s LEU 62 CO 0.03 -0.04 0.18 0.47 0.02 0.00 0.00 176.35 177.01 2msp n ASP 63 N 4.04 -1.32 -4.83 2.29 8.00 -1.26 -1.13 116.55 122.34 2msp n ASP 63 Ca -0.24 -0.56 -0.34 0.00 0.71 0.00 0.00 54.79 54.36 2msp n ASP 63 Cb 0.51 -0.17 -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 -3.42 4.17 0.00 -0.24 0.04 -1.26 -3.38 135.00 130.91 2msp s PRO 64 Ca 0.12 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.06 2msp s PRO 64 Cb -0.01 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 32.05 2msp s PRO 64 CO 0.09 0.16 0.00 0.43 0.04 0.00 0.00 177.00 177.72 2msp n SER 65 N -0.15 0.00 -4.88 6.66 7.64 0.13 -4.95 113.62 118.07 2msp n SER 65 Ca 0.03 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.61 2msp n SER 65 Cb 0.53 -1.67 0.02 0.00 -1.01 0.00 0.00 64.21 62.08 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 -0.61 3.34 0.06 1.43 2.12 -1.22 -4.79 118.70 119.04 2msp s GLU 66 Ca 0.00 0.63 -0.08 0.00 0.36 0.00 0.00 54.97 55.87 2msp s GLU 66 Cb 0.00 -2.07 -0.00 0.00 0.26 0.00 0.00 34.13 32.32 2msp s GLU 66 CO 0.00 -0.72 0.17 -1.59 -0.54 0.00 0.00 175.26 172.58 2msp s LYS 67 N -5.23 0.75 0.04 4.30 -2.85 -1.26 -1.25 119.74 114.24 2msp s LYS 67 Ca 0.56 -0.83 -0.01 0.00 -1.00 0.00 0.00 55.97 54.69 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 -0.01 0.54 0.10 0.00 0.00 175.35 176.28 2msp s VAL 68 N -3.26 0.18 -0.32 1.79 0.11 0.89 -4.97 120.40 114.82 2msp s VAL 68 Ca 0.00 -1.45 0.02 0.00 -2.93 0.00 0.00 61.98 57.62 2msp s VAL 68 Cb 0.02 -1.07 0.08 0.00 -1.53 0.00 0.00 36.38 33.88 2msp s VAL 68 CO -0.08 -0.80 0.01 -0.22 -3.33 0.00 0.00 175.10 170.68 2msp s LEU 69 N -2.39 4.23 0.13 2.54 2.96 -1.26 0.30 118.68 125.19 2msp s LEU 69 Ca -0.01 -1.72 0.05 0.00 -0.22 0.00 0.00 54.13 52.23 2msp s LEU 69 Cb 0.02 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 2msp s LEU 69 CO -0.07 -0.32 0.06 0.00 -1.32 0.00 0.00 176.35 174.71 2msp s MET 70 N 1.07 2.72 -0.25 1.98 0.23 0.99 -4.77 119.30 121.28 2msp s MET 70 Ca 0.01 -0.86 -0.08 0.00 -1.03 0.00 0.00 55.69 53.73 2msp s MET 70 Cb -0.20 -2.59 -0.04 0.00 -1.53 0.00 0.00 34.83 30.47 2msp s MET 70 CO -0.05 0.51 0.10 0.00 -2.03 0.00 0.00 175.02 173.55 2msp s ALA 71 N -1.54 3.28 -0.08 3.16 0.00 -0.28 0.15 121.76 126.45 2msp s ALA 71 Ca 0.29 -1.07 -0.12 0.00 0.00 0.00 0.00 51.96 51.05 2msp s ALA 71 Cb -0.11 -2.16 -0.05 0.00 0.00 0.00 0.00 23.12 20.80 2msp s ALA 71 CO 0.21 -0.42 0.29 0.08 0.00 0.00 0.00 175.76 175.91 2msp s VAL 72 N 1.50 5.26 0.23 0.00 1.01 0.20 -3.14 120.40 125.46 2msp s VAL 72 Ca 0.06 0.55 0.10 0.00 0.00 0.00 0.00 61.98 62.69 2msp s VAL 72 Cb -0.15 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 2msp s VAL 72 CO 0.05 0.55 -0.10 -0.44 0.00 0.00 0.00 175.10 175.17 2msp s SER 73 N -0.74 4.15 -0.16 3.32 0.01 -0.43 0.45 113.70 120.31 2msp s SER 73 Ca 0.19 -0.71 -0.04 0.00 1.31 0.00 0.00 55.95 56.70 2msp s SER 73 Cb -0.14 -0.64 0.07 0.00 0.21 0.00 0.00 66.02 65.52 2msp s SER 73 CO 0.08 0.06 0.17 0.00 0.41 0.00 0.00 173.24 173.96 2msp s ASP 75 N 2.27 3.92 0.85 0.00 2.15 -0.99 -1.64 116.67 123.24 2msp s ASP 75 Ca 0.05 0.84 -0.11 0.00 0.43 0.00 0.00 52.55 53.76 2msp s ASP 75 Cb -0.15 -1.35 0.11 0.00 -0.30 0.00 0.00 42.92 41.23 2msp s ASP 75 CO -0.09 -2.28 1.13 0.42 -0.17 0.00 0.00 175.17 174.18 2msp s THR 76 N -3.44 2.51 0.00 1.71 -4.23 -1.26 -4.87 115.64 106.05 2msp s THR 76 Ca 0.63 0.17 0.00 0.00 -1.18 0.00 0.00 61.69 61.32 2msp s THR 76 Cb -0.12 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.32 2msp s THR 76 CO 0.51 -0.21 0.00 2.22 -0.54 0.00 0.00 174.62 176.61 2msp n PHE 77 N -3.85 0.00 -3.39 3.99 -1.74 -1.19 -5.04 117.46 106.24 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 0.00 5.98 2.85 -1.26 -4.85 115.26 118.39 2msp n ASN 78 Ca 0.00 -2.64 0.00 0.00 -0.11 0.00 0.00 54.58 51.83 2msp n ASN 78 Cb 0.00 -0.61 0.00 0.00 1.24 0.00 0.00 39.78 40.41 2msp n ASN 78 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2msp n ALA 79 N 2.18 0.00 -0.01 5.20 0.00 -1.26 0.67 120.51 127.29 2msp n ALA 79 Ca 0.26 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.56 2msp n ALA 79 Cb 0.47 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.78 2msp n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2msp h ALA 80 N 0.00 0.61 0.00 0.00 0.00 -2.01 -3.41 119.26 114.45 2msp h ALA 80 Ca 0.00 -1.41 -0.04 0.00 0.00 0.00 0.00 54.91 53.45 2msp h ALA 80 Cb 0.57 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2msp h ALA 80 CO 0.00 1.46 -0.52 1.79 0.00 0.00 0.00 179.25 181.98 2msp h THR 81 N 0.03 0.28 -4.28 0.00 1.35 -0.19 -3.49 112.91 106.60 2msp h THR 81 Ca -0.33 -1.30 -0.51 0.00 -0.55 0.00 0.00 66.41 63.72 2msp h THR 81 Cb 2.02 0.61 0.11 0.00 -1.73 0.00 0.00 68.15 69.16 2msp h THR 81 CO 0.09 0.09 0.35 -1.61 -0.25 0.00 0.00 175.52 174.19 2msp s GLU 82 N -2.13 2.67 0.42 4.72 2.02 -1.18 -5.03 118.70 120.19 2msp s GLU 82 Ca -0.15 1.16 -0.24 0.00 0.02 0.00 0.00 54.97 55.77 2msp s GLU 82 Cb 0.02 -1.95 -0.09 0.00 0.10 0.00 0.00 34.13 32.22 2msp s GLU 82 CO 0.27 -1.32 1.08 0.34 0.02 0.00 0.00 175.26 175.65 2msp s ASP 83 N -3.26 6.58 0.00 -0.19 -1.08 -1.26 -4.90 116.67 112.57 2msp s ASP 83 Ca 0.62 2.11 0.00 0.00 -0.52 0.00 0.00 52.55 54.76 2msp s ASP 83 Cb -0.17 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.70 2msp s ASP 83 CO 0.50 -0.62 0.44 0.18 0.52 0.00 0.00 175.17 176.19 2msp n LEU 84 N -0.21 0.41 -0.17 -1.34 4.32 -1.26 -4.76 117.00 113.99 2msp n LEU 84 Ca 0.06 -0.41 0.10 0.00 -0.02 0.00 0.00 56.01 55.73 2msp n LEU 84 Cb 0.49 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.21 2msp n LEU 84 CO 0.46 0.10 0.07 0.59 -1.22 0.00 0.00 177.39 177.39 2msp n ASN 85 N -0.08 1.32 -1.10 -1.43 5.03 -1.26 -4.52 115.26 113.21 2msp n ASN 85 Ca 0.00 -1.16 -0.04 0.00 0.87 0.00 0.00 54.58 54.25 2msp n ASN 85 Cb 0.34 0.82 0.17 0.00 -1.02 0.00 0.00 39.78 40.09 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 -0.98 2.71 -4.86 6.41 3.02 -1.26 -5.00 115.26 115.30 2msp n ASN 86 Ca 0.06 -3.84 -0.31 0.00 -0.03 0.00 0.00 54.58 50.46 2msp n ASN 86 Cb 0.37 -0.55 -0.05 0.00 -0.61 0.00 0.00 39.78 38.93 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 -3.01 6.01 0.09 6.41 1.11 -1.26 -4.92 116.67 121.09 2msp s ASP 87 Ca 0.43 0.16 -0.16 0.00 0.18 0.00 0.00 52.55 53.16 2msp s ASP 87 Cb 0.40 -1.76 0.03 0.00 1.07 0.00 0.00 42.92 42.65 2msp s ASP 87 CO -0.03 0.18 0.39 -0.60 1.18 0.00 0.00 175.17 176.29 2msp s ARG 88 N -2.39 0.99 -0.14 8.23 3.52 -1.26 -2.96 118.95 124.94 2msp s ARG 88 Ca 0.32 -0.58 0.02 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 33.71 2msp s ARG 88 CO 0.24 -0.36 -0.18 0.42 -0.81 0.00 0.00 175.30 174.61 2msp s ILE 89 N -3.25 1.76 -0.20 4.11 1.01 0.93 -3.27 121.20 122.29 2msp s ILE 89 Ca -0.00 -0.78 -0.06 0.00 0.00 0.00 0.00 60.65 59.81 2msp s ILE 89 Cb 0.01 -1.60 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 2msp s ILE 89 CO -0.08 0.49 0.01 0.00 0.00 0.00 0.00 174.94 175.37 2msp s ILE 91 N 0.92 2.80 -0.08 0.00 1.01 0.20 -0.33 121.20 125.73 2msp s ILE 91 Ca 0.02 -0.69 0.05 0.00 0.00 0.00 0.00 60.65 60.02 2msp s ILE 91 Cb -0.14 -2.24 -0.01 0.00 0.01 0.00 0.00 42.46 40.08 2msp s ILE 91 CO 0.02 0.48 -0.22 -1.61 0.00 0.00 0.00 174.94 173.60 2msp s GLU 92 N 1.37 2.77 0.09 2.79 2.02 -0.18 0.03 118.70 127.58 2msp s GLU 92 Ca 0.05 -0.85 -0.13 0.00 0.02 0.00 0.00 54.97 54.06 2msp s GLU 92 Cb -0.14 -2.28 0.02 0.00 0.10 0.00 0.00 34.13 31.83 2msp s GLU 92 CO -0.07 0.34 0.30 1.67 0.02 0.00 0.00 175.26 177.52 2msp s TRP 93 N -0.04 -0.05 0.19 1.61 -2.14 -0.29 0.28 118.94 118.50 2msp s TRP 93 Ca -0.06 -0.26 -0.15 0.00 2.66 0.00 0.00 56.10 58.29 2msp s TRP 93 Cb -0.15 0.10 0.02 0.00 -3.10 0.00 0.00 33.47 30.34 2msp s TRP 93 CO 0.05 -0.60 0.45 -0.08 -2.66 0.00 0.00 176.95 174.11 2msp s THR 94 N -3.51 0.04 0.86 0.66 -1.32 -0.11 -0.91 115.64 111.36 2msp s THR 94 Ca 0.02 -0.99 -0.11 0.00 -1.21 0.00 0.00 61.69 59.39 2msp s THR 94 Cb 0.02 -1.68 0.11 0.00 -1.51 0.00 0.00 72.50 69.44 2msp s THR 94 CO -0.09 -0.17 1.09 0.20 -2.21 0.00 0.00 174.62 173.43 2msp s ASN 95 N -2.91 3.79 0.19 8.08 -0.87 -1.26 0.11 114.94 122.07 2msp s ASN 95 Ca 0.12 1.46 0.06 0.00 -1.57 0.00 0.00 52.86 52.94 2msp s ASN 95 Cb 0.00 -2.16 -0.04 0.00 -0.02 0.00 0.00 41.25 39.04 2msp s ASN 95 CO -0.02 -2.44 0.11 0.42 -2.57 0.00 0.00 177.10 172.61 2msp s THR 96 N -2.99 4.25 0.16 1.60 -4.23 -1.23 -4.65 115.64 108.55 2msp s THR 96 Ca 0.63 -1.28 -0.34 0.00 -1.18 0.00 0.00 61.69 59.51 2msp s THR 96 Cb -0.17 -3.20 -0.14 0.00 1.34 0.00 0.00 72.50 70.33 2msp s THR 96 CO 0.56 -0.18 1.49 -2.65 -0.54 0.00 0.00 174.62 173.30 2msp n PRO 97 N -0.52 1.93 -0.16 3.99 -0.01 -1.26 -4.81 135.00 134.15 2msp n PRO 97 Ca -0.08 0.69 0.13 0.00 -0.01 0.00 0.00 63.50 64.23 2msp n PRO 97 Cb 0.56 -2.41 0.21 0.00 -0.01 0.00 0.00 33.50 31.85 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 2.99 0.04 -3.44 2.55 8.00 -1.26 -1.84 116.55 123.60 2msp n ASP 98 Ca 0.16 0.37 -0.27 0.00 0.71 0.00 0.00 54.79 55.76 2msp n ASP 98 Cb 0.27 -0.18 -0.10 0.00 -0.02 0.00 0.00 41.12 41.09 2msp n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2msp n GLY 99 N -1.19 2.38 3.77 0.44 0.00 -1.26 -5.11 105.19 104.22 2msp n GLY 99 Ca 0.12 -1.47 -0.24 0.00 0.00 0.00 0.00 46.02 44.44 2msp n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2msp s ALA 100 N -0.18 3.48 -0.13 4.61 0.00 -0.77 -5.09 121.76 123.68 2msp s ALA 100 Ca 0.32 -1.38 -0.07 0.00 0.00 0.00 0.00 51.96 50.82 2msp s ALA 100 Cb 0.04 -1.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 2msp s ALA 100 CO -0.19 0.35 0.14 0.00 0.00 0.00 0.00 175.76 176.06 2msp s ALA 101 N -2.00 3.84 -0.78 0.00 0.00 -1.26 -4.99 121.76 116.58 2msp s ALA 101 Ca 0.31 -0.65 -0.26 0.00 0.00 0.00 0.00 51.96 51.37 2msp s ALA 101 Cb -0.08 -2.00 -0.09 0.00 0.00 0.00 0.00 23.12 20.95 2msp s ALA 101 CO 0.23 0.54 2.22 0.15 0.00 0.00 0.00 175.76 178.90 2msp s LYS 102 N -0.80 2.05 -0.30 0.00 1.02 -1.26 -4.71 119.74 115.74 2msp s LYS 102 Ca 0.14 0.35 -0.17 0.00 0.02 0.00 0.00 55.97 56.32 2msp s LYS 102 Cb -0.12 -4.82 0.18 0.00 -0.52 0.00 0.00 37.83 32.55 2msp s LYS 102 CO 0.03 -3.83 1.12 -1.14 -0.92 0.00 0.00 175.35 170.61 2msp s GLN 103 N 8.06 0.17 0.30 1.68 0.74 -1.26 -5.05 119.66 124.30 2msp s GLN 103 Ca 0.84 0.42 -0.30 0.00 0.05 0.00 0.00 55.36 56.37 2msp s GLN 103 Cb -0.11 0.25 -0.11 0.00 1.10 0.00 0.00 33.01 34.14 2msp s GLN 103 CO 0.08 -0.07 1.57 0.12 -0.55 0.00 0.00 175.29 176.44 2msp s PHE 104 N 2.32 2.77 -0.28 1.67 5.36 -1.26 -4.98 117.98 123.58 2msp s PHE 104 Ca -0.01 0.85 0.00 0.00 -0.96 0.00 0.00 56.93 56.81 2msp s PHE 104 Cb -0.04 -4.04 0.08 0.00 -0.34 0.00 0.00 43.02 38.69 2msp s PHE 104 CO -0.16 -3.43 0.04 1.03 -1.46 0.00 0.00 175.22 171.23 2msp s ARG 105 N -0.64 1.11 0.36 10.12 0.52 -1.26 -5.01 118.95 124.14 2msp s ARG 105 Ca 0.62 -1.11 0.19 0.00 -0.52 0.00 0.00 55.73 54.92 2msp s ARG 105 Cb -0.47 -2.39 1.28 0.00 0.52 0.00 0.00 34.95 33.89 2msp s ARG 105 CO 0.49 -0.82 1.53 -2.13 0.02 0.00 0.00 175.30 174.39 2msp n ARG 106 N 4.72 -0.06 -0.28 3.54 3.00 -1.26 -0.06 116.66 126.26 2msp n ARG 106 Ca -0.05 1.34 0.07 0.00 -0.00 0.00 0.00 57.85 59.22 2msp n ARG 106 Cb 0.43 -2.40 0.18 0.00 0.00 0.00 0.00 32.46 30.67 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 0.07 -1.91 -0.14 3.07 -1.99 -0.13 114.58 113.55 2msp h GLU 107 Ca 0.81 -0.00 0.56 0.00 -0.50 0.00 0.00 59.36 60.23 2msp h GLU 107 Cb 2.13 -0.02 -0.09 0.00 -0.84 0.00 0.00 28.75 29.94 2msp h GLU 107 CO -0.76 0.05 1.36 -1.49 -1.40 0.00 0.00 179.01 176.77 2msp h TRP 108 N 0.07 0.06 0.05 4.33 6.55 -0.90 0.65 115.95 126.77 2msp h TRP 108 Ca 0.45 0.00 -0.15 0.00 0.95 0.00 0.00 58.89 60.14 2msp h TRP 108 Cb 0.82 -0.01 -0.01 0.00 -0.86 0.00 0.00 29.16 29.10 2msp h TRP 108 CO -0.47 -0.04 -0.77 0.74 -1.05 0.00 0.00 178.44 176.85 2msp h PHE 109 N 0.00 0.20 -0.93 0.49 -1.00 -1.21 -3.33 116.94 111.16 2msp h PHE 109 Ca 0.94 -0.14 0.21 0.00 2.81 0.00 0.00 57.97 61.78 2msp h PHE 109 Cb 3.67 -0.01 -0.07 0.00 3.61 0.00 0.00 35.95 43.15 2msp h PHE 109 CO -0.00 1.30 0.61 1.96 -1.61 0.00 0.00 178.31 180.57 2msp h GLN 110 N -0.73 0.42 0.00 1.51 4.20 0.24 -3.44 115.11 117.31 2msp h GLN 110 Ca -0.18 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.51 2msp h GLN 110 Cb 1.36 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.05 2msp h GLN 110 CO -0.01 0.28 0.00 0.41 -0.67 0.00 0.00 178.83 178.84 2msp n GLY 111 N -1.50 -1.02 2.93 3.46 0.00 -0.43 -5.00 105.19 103.63 2msp n GLY 111 Ca 0.20 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.69 4.05 0.00 1.61 2.15 -1.26 -5.03 116.67 115.50 2msp s ASP 112 Ca 0.00 -1.40 0.00 0.00 0.43 0.00 0.00 52.55 51.58 2msp s ASP 112 Cb 0.00 -1.23 0.00 0.00 -0.30 0.00 0.00 42.92 41.39 2msp s ASP 112 CO 0.00 -0.28 0.00 0.61 -0.17 0.00 0.00 175.17 175.33 2msp n GLY 113 N 4.62 -0.46 3.00 2.66 0.00 -1.26 -4.27 105.19 109.47 2msp n GLY 113 Ca -0.08 0.26 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 0.58 -0.05 1.61 -1.94 -1.26 -4.78 119.30 113.45 2msp s MET 114 Ca 0.00 -0.30 0.01 0.00 -1.71 0.00 0.00 55.69 53.69 2msp s MET 114 Cb 0.00 -0.54 0.02 0.00 2.01 0.00 0.00 34.83 36.32 2msp s MET 114 CO 0.00 0.15 -0.06 0.08 -0.01 0.00 0.00 175.02 175.18 2msp s VAL 115 N -0.26 0.66 -0.08 -6.03 1.01 -1.26 -4.68 120.40 109.76 2msp s VAL 115 Ca 0.02 -0.18 -0.06 0.00 0.00 0.00 0.00 61.98 61.77 2msp s VAL 115 Cb -0.03 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 2msp s VAL 115 CO -0.00 0.26 0.15 -0.60 0.00 0.00 0.00 175.10 174.91 2msp s ARG 116 N 1.00 3.44 0.00 2.72 3.52 -0.08 -4.97 118.95 124.58 2msp s ARG 116 Ca -0.09 -0.19 0.05 0.00 -0.13 0.00 0.00 55.73 55.37 2msp s ARG 116 Cb -0.14 -3.16 -0.02 0.00 -1.56 0.00 0.00 34.95 30.07 2msp s ARG 116 CO -0.00 0.75 -0.16 1.03 -0.81 0.00 0.00 175.30 176.10 2msp s ARG 117 N -1.32 1.26 -0.03 5.12 0.52 -1.26 -1.14 118.95 122.09 2msp s ARG 117 Ca 0.19 -0.66 0.02 0.00 -0.52 0.00 0.00 55.73 54.76 2msp s ARG 117 Cb -0.12 -1.24 0.01 0.00 0.52 0.00 0.00 34.95 34.11 2msp s ARG 117 CO 0.09 0.33 -0.07 0.21 0.02 0.00 0.00 175.30 175.88 2msp s LYS 118 N -0.62 0.86 -0.14 3.54 2.20 0.10 -4.99 119.74 120.70 2msp s LYS 118 Ca 0.06 -0.21 -0.03 0.00 -0.36 0.00 0.00 55.97 55.42 2msp s LYS 118 Cb -0.07 -0.82 -0.03 0.00 -1.51 0.00 0.00 37.83 35.40 2msp s LYS 118 CO 0.00 0.03 -0.03 -0.80 -0.36 0.00 0.00 175.35 174.19 2msp s ASN 119 N 0.48 4.92 -0.30 1.43 0.01 -1.26 -0.63 114.94 119.60 2msp s ASN 119 Ca -0.07 -0.07 0.02 0.00 -0.71 0.00 0.00 52.86 52.04 2msp s ASN 119 Cb -0.11 -1.72 0.07 0.00 0.41 0.00 0.00 41.25 39.91 2msp s ASN 119 CO 0.00 0.21 -0.03 -0.76 -1.51 0.00 0.00 177.10 175.02 2msp s LEU 120 N 0.12 4.01 0.30 0.60 1.43 0.46 -4.85 118.68 120.73 2msp s LEU 120 Ca -0.00 -1.62 -0.19 0.00 -1.03 0.00 0.00 54.13 51.29 2msp s LEU 120 Cb -0.13 -1.62 -0.09 0.00 0.03 0.00 0.00 46.19 44.38 2msp s LEU 120 CO 0.02 -0.28 0.78 -2.16 0.23 0.00 0.00 176.35 174.95 2msp s PRO 121 N 1.08 4.20 -0.16 1.29 0.04 -1.26 0.31 135.00 140.50 2msp s PRO 121 Ca -0.02 0.89 -0.17 0.00 0.04 0.00 0.00 61.00 61.74 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 -0.05 0.24 0.42 0.42 0.04 0.00 0.00 177.00 178.07 2msp s ILE 122 N -1.78 5.21 -0.24 0.56 1.09 -1.16 -1.47 121.20 123.41 2msp s ILE 122 Ca 0.50 0.80 -0.05 0.00 -1.10 0.00 0.00 60.65 60.80 2msp s ILE 122 Cb -0.14 -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 0.01 -0.70 -0.10 0.00 0.00 174.94 174.64 2msp s GLU 123 N 0.91 3.39 -0.25 2.79 2.12 0.40 -4.61 118.70 123.46 2msp s GLU 123 Ca 0.22 -0.63 -0.20 0.00 0.36 0.00 0.00 54.97 54.71 2msp s GLU 123 Cb -0.15 -3.17 -0.02 0.00 0.26 0.00 0.00 34.13 31.06 2msp s GLU 123 CO 0.08 -0.24 0.63 0.71 -0.54 0.00 0.00 175.26 175.89 2msp s TYR 124 N 1.52 3.29 -0.31 5.30 2.02 -1.26 -0.43 117.35 127.48 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 -2.83 -0.01 0.00 -0.40 0.00 0.00 41.96 38.57 2msp s TYR 124 CO -0.00 -0.30 0.16 1.21 -1.57 0.00 0.00 175.55 175.05 2msp s ASN 125 N 1.43 5.62 0.00 2.29 2.47 0.16 -4.95 114.94 121.97 2msp s ASN 125 Ca 0.26 -0.50 0.26 0.00 0.42 0.00 0.00 52.86 53.30 2msp s ASN 125 Cb -0.16 -2.02 0.55 0.00 -1.45 0.00 0.00 41.25 38.18 2msp s ASN 125 CO 0.09 -0.20 1.47 0.18 -3.72 0.00 0.00 177.10 174.92