#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1msp s VAL 4 N 0.00 1.25 0.30 -3.33 -7.23 -1.26 -5.11 120.40 105.02 1msp s VAL 4 Ca 0.00 -0.67 -0.29 0.00 -1.81 0.00 0.00 61.98 59.21 1msp s VAL 4 Cb 0.00 -1.05 -0.10 0.00 0.56 0.00 0.00 36.38 35.80 1msp s VAL 4 CO 0.00 0.36 1.26 -2.84 -0.31 0.00 0.00 175.10 173.56 1msp s PRO 5 N -0.30 4.43 0.55 4.82 0.02 -1.26 -4.88 135.00 138.38 1msp s PRO 5 Ca 0.05 2.09 -0.22 0.00 0.02 0.00 0.00 61.00 62.95 1msp s PRO 5 Cb -0.07 -3.12 -0.05 0.00 0.02 0.00 0.00 34.50 31.29 1msp s PRO 5 CO -0.00 -0.10 1.37 -2.14 -0.33 0.00 0.00 177.00 175.79 1msp s PRO 6 N -1.43 3.08 0.03 5.54 0.02 -1.26 -4.98 135.00 136.00 1msp s PRO 6 Ca 0.49 2.25 -0.00 0.00 0.02 0.00 0.00 61.00 63.76 1msp s PRO 6 Cb -0.37 -2.23 0.01 0.00 0.02 0.00 0.00 34.50 31.92 1msp s PRO 6 CO 0.48 -1.24 0.03 0.41 -0.33 0.00 0.00 177.00 176.35 1msp n GLY 7 N 0.74 -1.95 3.91 0.52 0.00 -1.26 -5.01 105.19 102.15 1msp n GLY 7 Ca 0.11 -1.53 -0.27 0.00 0.00 0.00 0.00 46.02 44.32 1msp n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1msp s ASP 8 N -1.41 6.39 0.16 1.61 1.11 -1.26 -4.88 116.67 118.39 1msp s ASP 8 Ca 0.02 0.66 0.10 0.00 0.18 0.00 0.00 52.55 53.52 1msp s ASP 8 Cb -0.00 -2.12 -0.04 0.00 1.07 0.00 0.00 42.92 41.82 1msp s ASP 8 CO 0.01 -0.25 -0.21 0.27 1.18 0.00 0.00 175.17 176.17 1msp s ILE 9 N -2.20 2.59 -0.14 0.77 -4.36 -1.26 -0.77 121.20 115.83 1msp s ILE 9 Ca 0.43 -1.81 0.00 0.00 -0.26 0.00 0.00 60.65 59.01 1msp s ILE 9 Cb -0.10 -2.22 -0.01 0.00 1.25 0.00 0.00 42.46 41.37 1msp s ILE 9 CO 0.33 -0.04 -0.14 0.20 0.24 0.00 0.00 174.94 175.53 1msp s ASN 10 N -2.49 3.85 0.37 4.36 0.01 -0.58 -4.87 114.94 115.60 1msp s ASN 10 Ca 0.20 -0.39 0.08 0.00 -0.71 0.00 0.00 52.86 52.04 1msp s ASN 10 Cb -0.09 -1.59 -0.07 0.00 0.41 0.00 0.00 41.25 39.92 1msp s ASN 10 CO 0.10 0.13 -0.02 0.42 -1.51 0.00 0.00 177.10 176.23 1msp s THR 11 N 0.53 2.22 -0.16 1.60 -4.23 -1.26 -0.51 115.64 113.82 1msp s THR 11 Ca -0.09 -2.05 -0.04 0.00 -1.18 0.00 0.00 61.69 58.32 1msp s THR 11 Cb -0.16 -2.83 0.08 0.00 1.34 0.00 0.00 72.50 70.93 1msp s THR 11 CO 0.04 -0.11 0.28 -1.10 -0.54 0.00 0.00 174.62 173.19 1msp s GLN 12 N -3.69 0.19 0.66 3.99 -0.21 -0.88 -3.51 119.66 116.22 1msp s GLN 12 Ca 0.34 0.63 -0.17 0.00 0.02 0.00 0.00 55.36 56.19 1msp s GLN 12 Cb 0.05 -0.30 -0.01 0.00 1.00 0.00 0.00 33.01 33.75 1msp s GLN 12 CO 0.18 -0.40 1.12 -0.35 -2.12 0.00 0.00 175.29 173.72 1msp n PRO 13 N 5.35 0.86 0.20 2.91 -0.04 -1.26 -2.52 135.00 140.49 1msp n PRO 13 Ca -0.06 0.35 0.09 0.00 -0.04 0.00 0.00 63.50 63.84 1msp n PRO 13 Cb 0.50 -2.35 0.21 0.00 -0.04 0.00 0.00 33.50 31.82 1msp n PRO 13 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1msp h SER 14 N 0.25 0.00 0.00 3.54 4.64 -1.98 -3.40 113.55 116.60 1msp h SER 14 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1msp h SER 14 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1msp h SER 14 CO 0.51 0.20 -0.36 0.00 -0.87 0.00 0.00 176.83 176.31 1msp n GLN 15 N -3.19 3.38 -3.87 4.77 6.02 -1.26 -4.90 117.38 118.34 1msp n GLN 15 Ca 0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.98 1msp n GLN 15 Cb 0.56 -0.63 0.02 0.00 1.02 0.00 0.00 30.24 31.21 1msp n GLN 15 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1msp s LYS 16 N -0.78 1.37 -0.03 -1.09 0.00 -1.26 -4.18 119.74 113.77 1msp s LYS 16 Ca 0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 55.97 55.08 1msp s LYS 16 Cb 0.00 0.39 0.02 0.00 0.00 0.00 0.00 37.83 38.24 1msp s LYS 16 CO 0.00 -0.64 0.07 -1.50 0.00 0.00 0.00 175.35 173.28 1msp s ILE 17 N -2.26 -0.03 -0.16 3.79 2.07 0.04 -4.58 121.20 120.06 1msp s ILE 17 Ca 0.21 0.12 -0.02 0.00 -1.41 0.00 0.00 60.65 59.54 1msp s ILE 17 Cb -0.03 -0.13 -0.02 0.00 0.13 0.00 0.00 42.46 42.42 1msp s ILE 17 CO 0.06 0.05 -0.08 -0.69 -1.91 0.00 0.00 174.94 172.37 1msp s VAL 18 N 0.67 3.38 -0.17 4.00 1.01 -1.26 0.50 120.40 128.53 1msp s VAL 18 Ca -0.05 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.33 1msp s VAL 18 Cb -0.07 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1msp s VAL 18 CO -0.02 0.48 0.06 -0.36 0.00 0.00 0.00 175.10 175.26 1msp s PHE 19 N 0.70 3.27 -0.11 5.22 0.40 0.17 -4.96 117.98 122.67 1msp s PHE 19 Ca -0.04 0.12 -0.04 0.00 -0.60 0.00 0.00 56.93 56.38 1msp s PHE 19 Cb -0.15 -2.05 -0.03 0.00 0.51 0.00 0.00 43.02 41.30 1msp s PHE 19 CO 0.02 0.22 0.03 -0.80 0.70 0.00 0.00 175.22 175.39 1msp s ASN 20 N 0.17 5.43 0.94 1.36 0.01 -1.26 0.10 114.94 121.69 1msp s ASN 20 Ca 0.05 0.16 -0.10 0.00 -0.71 0.00 0.00 52.86 52.26 1msp s ASN 20 Cb -0.12 -1.66 0.16 0.00 0.41 0.00 0.00 41.25 40.03 1msp s ASN 20 CO 0.00 0.34 1.13 0.00 -1.51 0.00 0.00 177.10 177.06 1msp s ALA 21 N -0.62 1.28 0.42 0.60 0.00 0.10 -4.68 121.76 118.86 1msp s ALA 21 Ca 0.11 0.48 -0.23 0.00 0.00 0.00 0.00 51.96 52.32 1msp s ALA 21 Cb -0.12 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.49 1msp s ALA 21 CO 0.02 -2.84 1.00 -1.25 0.00 0.00 0.00 175.76 172.70 1msp s PRO 22 N -4.64 4.16 -0.71 0.00 0.04 -1.26 -5.02 135.00 127.56 1msp s PRO 22 Ca 0.67 1.35 -0.02 0.00 0.04 0.00 0.00 61.00 63.04 1msp s PRO 22 Cb -0.23 -2.38 0.42 0.00 0.04 0.00 0.00 34.50 32.35 1msp s PRO 22 CO 0.59 -0.12 1.99 0.66 0.04 0.00 0.00 177.00 180.16 1msp n TYR 23 N -0.34 3.14 -0.00 0.56 4.01 -1.26 -4.34 117.16 118.93 1msp n TYR 23 Ca 0.06 -2.77 0.00 0.00 -0.16 0.00 0.00 57.90 55.03 1msp n TYR 23 Cb 0.52 -1.30 0.01 0.00 -0.31 0.00 0.00 39.34 38.25 1msp n TYR 23 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1msp n ASP 24 N -0.78 1.84 -4.25 7.72 5.68 -1.26 -2.44 116.55 123.06 1msp n ASP 24 Ca 0.59 -1.78 -0.18 0.00 -0.50 0.00 0.00 54.79 52.92 1msp n ASP 24 Cb 0.53 -0.01 -0.11 0.00 -1.14 0.00 0.00 41.12 40.38 1msp n ASP 24 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1msp s ASP 25 N -0.79 2.01 -0.65 -1.12 1.11 -1.26 -4.87 116.67 111.10 1msp s ASP 25 Ca 0.02 -0.84 -0.26 0.00 0.18 0.00 0.00 52.55 51.64 1msp s ASP 25 Cb 0.01 -0.07 0.04 0.00 1.07 0.00 0.00 42.92 43.97 1msp s ASP 25 CO 0.01 -0.16 1.17 -0.75 1.18 0.00 0.00 175.17 176.61 1msp s LYS 26 N -2.83 3.30 -0.42 8.23 2.20 -1.26 -4.44 119.74 124.52 1msp s LYS 26 Ca 0.10 -0.16 -0.23 0.00 -0.36 0.00 0.00 55.97 55.32 1msp s LYS 26 Cb -0.04 -4.11 0.02 0.00 -1.51 0.00 0.00 37.83 32.19 1msp s LYS 26 CO 0.03 -1.87 0.79 -3.38 -0.36 0.00 0.00 175.35 170.56 1msp s HIS 27 N 5.03 3.03 -0.60 4.03 0.00 -1.12 -4.89 115.29 120.77 1msp s HIS 27 Ca 0.35 0.28 -0.09 0.00 -3.00 0.00 0.00 55.06 52.60 1msp s HIS 27 Cb -0.10 -3.59 0.15 0.00 -4.00 0.00 0.00 32.58 25.05 1msp s HIS 27 CO 0.18 -0.91 0.48 0.99 -1.00 0.00 0.00 174.74 174.48 1msp s THR 28 N 3.25 4.51 0.00 -5.38 2.01 -1.26 -1.81 115.64 116.95 1msp s THR 28 Ca 0.30 -2.20 0.00 0.00 0.31 0.00 0.00 61.69 60.10 1msp s THR 28 Cb -0.12 -3.90 0.00 0.00 0.01 0.00 0.00 72.50 68.48 1msp s THR 28 CO 0.21 -0.87 0.00 -1.22 -0.69 0.00 0.00 174.62 172.05 1msp n TYR 29 N 4.38 -2.91 -3.77 4.92 4.02 -0.06 -4.89 117.16 118.86 1msp n TYR 29 Ca 0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.77 1msp n TYR 29 Cb 0.41 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.65 1msp n TYR 29 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1msp s HIS 30 N -0.76 -0.14 0.09 -0.72 3.76 -1.26 -3.20 115.29 113.06 1msp s HIS 30 Ca 0.00 0.14 0.05 0.00 -0.15 0.00 0.00 55.06 55.10 1msp s HIS 30 Cb 0.00 0.08 -0.03 0.00 1.11 0.00 0.00 32.58 33.74 1msp s HIS 30 CO 0.00 -0.42 -0.14 0.42 -0.85 0.00 0.00 174.74 173.76 1msp s ILE 31 N -1.70 1.15 -0.12 0.60 1.01 0.84 -4.79 121.20 118.18 1msp s ILE 31 Ca -0.11 -1.46 0.02 0.00 0.00 0.00 0.00 60.65 59.10 1msp s ILE 31 Cb -0.04 -1.23 -0.00 0.00 0.01 0.00 0.00 42.46 41.20 1msp s ILE 31 CO 0.02 -0.32 -0.20 -0.75 0.00 0.00 0.00 174.94 173.69 1msp s LYS 32 N -2.12 3.13 -0.05 2.79 2.20 -1.05 -0.79 119.74 123.86 1msp s LYS 32 Ca 0.02 -0.82 0.06 0.00 -0.36 0.00 0.00 55.97 54.87 1msp s LYS 32 Cb -0.08 -2.44 -0.01 0.00 -1.51 0.00 0.00 37.83 33.79 1msp s LYS 32 CO 0.02 0.11 -0.23 0.42 -0.36 0.00 0.00 175.35 175.31 1msp s ILE 33 N 0.53 1.92 -0.01 5.43 1.01 0.16 -2.06 121.20 128.17 1msp s ILE 33 Ca -0.13 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 59.56 1msp s ILE 33 Cb -0.17 -1.62 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 1msp s ILE 33 CO 0.04 0.54 -0.11 -0.89 0.00 0.00 0.00 174.94 174.52 1msp s THR 34 N -0.15 0.87 -0.60 2.92 2.01 0.33 0.17 115.64 121.18 1msp s THR 34 Ca -0.03 -0.46 -0.25 0.00 0.31 0.00 0.00 61.69 61.27 1msp s THR 34 Cb -0.13 -0.73 0.04 0.00 0.01 0.00 0.00 72.50 71.69 1msp s THR 34 CO 0.03 0.25 1.02 0.21 -0.69 0.00 0.00 174.62 175.44 1msp s ASN 35 N -0.20 6.29 -0.29 3.53 3.84 -0.16 -1.52 114.94 126.44 1msp s ASN 35 Ca 0.03 -0.44 0.04 0.00 0.21 0.00 0.00 52.86 52.69 1msp s ASN 35 Cb -0.05 -2.46 0.47 0.00 -0.55 0.00 0.00 41.25 38.66 1msp s ASN 35 CO -0.00 -1.38 1.59 0.00 -2.79 0.00 0.00 177.10 174.52 1msp n ALA 36 N 7.87 4.46 -3.79 1.71 0.00 0.05 0.12 120.51 130.93 1msp n ALA 36 Ca 0.02 -1.89 -0.13 0.00 0.00 0.00 0.00 53.44 51.44 1msp n ALA 36 Cb 0.47 -1.28 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 1msp n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1msp n GLY 37 N -0.48 3.10 0.03 0.00 0.00 -1.08 -4.42 105.19 102.34 1msp n GLY 37 Ca 0.38 -2.24 0.11 0.00 0.00 0.00 0.00 46.02 44.27 1msp n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1msp n GLY 38 N 2.12 -1.15 3.16 -0.02 0.00 -1.26 -4.29 105.19 103.75 1msp n GLY 38 Ca -0.02 -0.44 -0.19 0.00 0.00 0.00 0.00 46.02 45.37 1msp n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1msp s ARG 39 N -3.31 0.85 0.54 1.61 0.52 -1.26 -4.78 118.95 113.11 1msp s ARG 39 Ca -0.01 -0.90 -0.18 0.00 -0.52 0.00 0.00 55.73 54.12 1msp s ARG 39 Cb 0.14 -0.86 -0.11 0.00 0.52 0.00 0.00 34.95 34.64 1msp s ARG 39 CO 0.85 0.20 0.35 -2.13 0.02 0.00 0.00 175.30 174.58 1msp n ARG 40 N 1.45 0.38 -3.94 3.54 0.63 -1.26 -4.59 116.66 112.87 1msp n ARG 40 Ca -0.20 0.15 -0.09 0.00 -0.92 0.00 0.00 57.85 56.78 1msp n ARG 40 Cb 0.54 -1.49 -0.07 0.00 0.45 0.00 0.00 32.46 31.89 1msp n ARG 40 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 1msp s ILE 41 N -1.77 0.08 0.12 5.15 -4.36 -1.05 -2.00 121.20 117.37 1msp s ILE 41 Ca 0.65 -1.35 0.08 0.00 -0.26 0.00 0.00 60.65 59.77 1msp s ILE 41 Cb -0.48 -1.76 -0.04 0.00 1.25 0.00 0.00 42.46 41.43 1msp s ILE 41 CO 0.58 -0.35 -0.20 -0.83 0.24 0.00 0.00 174.94 174.38 1msp s GLY 42 N -2.95 1.29 0.08 6.27 0.00 -0.75 -1.92 107.32 109.34 1msp s GLY 42 Ca 0.15 -1.32 -0.10 0.00 0.00 0.00 0.00 44.72 43.45 1msp s GLY 42 CO -0.02 -1.34 0.23 0.66 0.00 0.00 0.00 173.10 172.63 1msp s TRP 43 N -1.42 0.06 0.06 1.90 1.48 0.20 -2.47 118.94 118.75 1msp s TRP 43 Ca 0.09 -0.40 -0.12 0.00 -1.06 0.00 0.00 56.10 54.61 1msp s TRP 43 Cb -0.09 0.00 0.01 0.00 -1.16 0.00 0.00 33.47 32.24 1msp s TRP 43 CO 0.05 -0.54 0.28 0.00 -4.06 0.00 0.00 176.95 172.68 1msp s ALA 44 N -3.45 -0.57 0.19 2.67 0.00 -0.70 -0.26 121.76 119.64 1msp s ALA 44 Ca 0.02 -0.18 0.10 0.00 0.00 0.00 0.00 51.96 51.90 1msp s ALA 44 Cb 0.03 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 1msp s ALA 44 CO -0.09 -0.46 -0.17 0.42 0.00 0.00 0.00 175.76 175.46 1msp s ILE 45 N -3.01 2.74 0.00 0.00 -1.09 -0.53 -1.11 121.20 118.20 1msp s ILE 45 Ca -0.02 -1.87 -0.00 0.00 -2.23 0.00 0.00 60.65 56.53 1msp s ILE 45 Cb 0.01 -2.34 -0.01 0.00 -1.58 0.00 0.00 42.46 38.54 1msp s ILE 45 CO -0.06 -0.12 0.00 -0.75 -1.23 0.00 0.00 174.94 172.78 1msp s LYS 46 N -2.76 0.14 0.24 2.79 2.20 -0.30 -4.99 119.74 117.06 1msp s LYS 46 Ca 0.23 -0.22 0.08 0.00 -0.36 0.00 0.00 55.97 55.69 1msp s LYS 46 Cb -0.08 0.05 -0.05 0.00 -1.51 0.00 0.00 37.83 36.24 1msp s LYS 46 CO 0.12 -0.02 -0.12 0.95 -0.36 0.00 0.00 175.35 175.92 1msp s THR 47 N -0.57 1.79 -0.20 3.43 -4.23 -1.26 -0.77 115.64 113.83 1msp s THR 47 Ca -0.06 -2.20 0.26 0.00 -1.18 0.00 0.00 61.69 58.51 1msp s THR 47 Cb -0.04 -2.23 0.34 0.00 1.34 0.00 0.00 72.50 71.91 1msp s THR 47 CO -0.00 -0.46 1.75 0.71 -0.54 0.00 0.00 174.62 176.07 1msp h THR 48 N 2.42 0.08 -3.35 3.99 1.35 -1.78 -3.41 112.91 112.21 1msp h THR 48 Ca -0.39 -0.91 -0.60 0.00 -0.55 0.00 0.00 66.41 63.97 1msp h THR 48 Cb 1.23 1.84 -0.40 0.00 -1.73 0.00 0.00 68.15 69.09 1msp h THR 48 CO 0.64 0.04 -0.76 0.20 -0.25 0.00 0.00 175.52 175.40 1msp s ASN 49 N -6.04 4.03 0.32 5.36 0.01 -1.26 -4.99 114.94 112.37 1msp s ASN 49 Ca 0.04 -1.58 0.02 0.00 -0.71 0.00 0.00 52.86 50.64 1msp s ASN 49 Cb 0.07 -1.04 0.54 0.00 0.41 0.00 0.00 41.25 41.23 1msp s ASN 49 CO 0.63 -0.37 1.89 0.24 -1.51 0.00 0.00 177.10 177.98 1msp h MET 50 N 7.99 0.70 0.48 -0.60 0.00 -1.81 -0.79 114.93 120.91 1msp h MET 50 Ca -0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 59.70 59.43 1msp h MET 50 Cb 1.04 -0.12 0.00 0.00 0.00 0.00 0.00 31.60 32.52 1msp h MET 50 CO 0.46 0.62 -0.23 0.00 0.00 0.00 0.00 176.91 177.75 1msp h ARG 51 N 0.69 -0.63 -0.04 1.72 -0.00 -1.99 -3.38 114.38 110.75 1msp h ARG 51 Ca 0.16 0.04 -0.01 0.00 -0.50 0.00 0.00 59.98 59.67 1msp h ARG 51 Cb 0.21 0.14 -0.00 0.00 0.00 0.00 0.00 29.97 30.32 1msp h ARG 51 CO -0.01 -0.42 -0.02 -0.09 0.00 0.00 0.00 179.97 179.43 1msp h ARG 52 N -1.13 0.09 -6.54 0.04 2.43 -1.97 -3.46 114.38 103.85 1msp h ARG 52 Ca -0.07 -0.04 -0.52 0.00 -0.81 0.00 0.00 59.98 58.54 1msp h ARG 52 Cb 0.50 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1msp h ARG 52 CO 0.11 0.49 -0.07 -0.51 -1.51 0.00 0.00 179.97 178.49 1msp s LEU 53 N -9.32 4.08 -0.03 3.80 1.43 -0.30 -2.44 118.68 115.91 1msp s LEU 53 Ca -0.15 0.94 -0.18 0.00 -1.03 0.00 0.00 54.13 53.72 1msp s LEU 53 Cb 0.03 -3.74 0.03 0.00 0.03 0.00 0.00 46.19 42.54 1msp s LEU 53 CO 0.69 -0.16 0.38 -0.55 0.23 0.00 0.00 176.35 176.94 1msp s SER 54 N -2.64 -0.29 0.02 2.29 0.15 -1.22 -4.59 113.70 107.42 1msp s SER 54 Ca 0.48 0.26 0.00 0.00 0.70 0.00 0.00 55.95 57.39 1msp s SER 54 Cb -0.11 0.40 -0.02 0.00 -1.71 0.00 0.00 66.02 64.58 1msp s SER 54 CO 0.24 -0.45 -0.03 -0.69 1.20 0.00 0.00 173.24 173.51 1msp s VAL 55 N -1.18 0.15 -0.29 4.45 1.01 -1.25 -1.47 120.40 121.81 1msp s VAL 55 Ca -0.12 -0.94 -0.13 0.00 0.00 0.00 0.00 61.98 60.80 1msp s VAL 55 Cb -0.04 -0.30 0.12 0.00 0.00 0.00 0.00 36.38 36.16 1msp s VAL 55 CO 0.05 -0.50 0.74 -0.62 0.00 0.00 0.00 175.10 174.77 1msp s ASP 56 N -1.49 -0.96 0.62 3.32 2.15 -0.65 -4.15 116.67 115.51 1msp s ASP 56 Ca -0.15 1.39 -0.11 0.00 0.43 0.00 0.00 52.55 54.11 1msp s ASP 56 Cb -0.10 1.86 -0.03 0.00 -0.30 0.00 0.00 42.92 44.36 1msp s ASP 56 CO -0.01 -0.20 1.02 -2.16 -0.17 0.00 0.00 175.17 173.65 1msp s PRO 57 N 2.35 3.45 0.17 4.34 0.04 -1.26 0.10 135.00 144.19 1msp s PRO 57 Ca -0.07 0.64 0.24 0.00 0.04 0.00 0.00 61.00 61.85 1msp s PRO 57 Cb -0.08 -2.09 0.26 0.00 0.04 0.00 0.00 34.50 32.63 1msp s PRO 57 CO -0.19 -0.63 1.28 -1.00 0.04 0.00 0.00 177.00 176.51 1msp h PRO 58 N -0.34 0.00 -2.62 0.56 0.13 -1.97 -3.45 132.00 124.32 1msp h PRO 58 Ca -0.44 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.81 1msp h PRO 58 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 1msp h PRO 58 CO 0.62 0.00 0.43 0.00 -0.23 0.00 0.00 178.00 178.82 1msp n GLY 60 N -0.54 -1.14 2.88 0.00 0.00 0.64 -4.96 105.19 102.08 1msp n GLY 60 Ca -0.05 -1.02 -0.18 0.00 0.00 0.00 0.00 46.02 44.77 1msp n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1msp s VAL 61 N -3.00 0.40 -0.10 1.61 1.01 -1.26 0.59 120.40 119.66 1msp s VAL 61 Ca 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 61.92 1msp s VAL 61 Cb 0.00 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.96 1msp s VAL 61 CO 0.00 0.18 -0.17 -0.76 0.00 0.00 0.00 175.10 174.35 1msp s LEU 62 N 0.72 1.82 0.79 3.92 1.02 -0.81 -4.99 118.68 121.16 1msp s LEU 62 Ca -0.09 -0.44 -0.12 0.00 0.02 0.00 0.00 54.13 53.50 1msp s LEU 62 Cb -0.12 -1.13 0.07 0.00 0.02 0.00 0.00 46.19 45.03 1msp s LEU 62 CO -0.00 0.06 1.14 -1.81 0.02 0.00 0.00 176.35 175.76 1msp s ASP 63 N 0.74 4.61 0.19 2.29 1.01 -1.26 -2.51 116.67 121.75 1msp s ASP 63 Ca -0.11 0.97 -0.33 0.00 0.71 0.00 0.00 52.55 53.78 1msp s ASP 63 Cb -0.16 -1.58 -0.14 0.00 1.01 0.00 0.00 42.92 42.05 1msp s ASP 63 CO 0.02 -1.86 1.44 -0.81 0.21 0.00 0.00 175.17 174.18 1msp n PRO 64 N -3.31 1.93 -1.00 8.23 -0.05 -1.26 -1.28 135.00 138.26 1msp n PRO 64 Ca 0.07 0.69 0.00 0.00 -0.05 0.00 0.00 63.50 64.22 1msp n PRO 64 Cb 0.59 -2.37 0.00 0.00 -0.05 0.00 0.00 33.50 31.67 1msp n PRO 64 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08 1msp n LYS 65 N 2.53 -0.73 -2.99 0.54 5.02 0.32 -4.98 118.16 117.86 1msp n LYS 65 Ca 0.14 0.18 -0.29 0.00 -2.02 0.00 0.00 58.31 56.33 1msp n LYS 65 Cb 0.29 -3.73 -0.02 0.00 -0.02 0.00 0.00 35.03 31.55 1msp n LYS 65 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1msp s GLU 66 N -0.73 3.67 0.06 1.97 2.12 -0.40 -4.76 118.70 120.62 1msp s GLU 66 Ca 0.00 0.23 0.01 0.00 0.36 0.00 0.00 54.97 55.57 1msp s GLU 66 Cb 0.00 -2.48 -0.03 0.00 0.26 0.00 0.00 34.13 31.88 1msp s GLU 66 CO 0.00 0.02 -0.05 -1.59 -0.54 0.00 0.00 175.26 173.10 1msp s LYS 67 N -3.96 0.60 0.04 4.30 -2.85 -1.26 -0.98 119.74 115.63 1msp s LYS 67 Ca 0.48 -1.05 0.02 0.00 -1.00 0.00 0.00 55.97 54.42 1msp s LYS 67 Cb -0.10 -0.02 -0.02 0.00 -2.06 0.00 0.00 37.83 35.63 1msp s LYS 67 CO 0.34 -0.04 -0.08 0.54 0.10 0.00 0.00 175.35 176.21 1msp s VAL 68 N -2.91 0.56 -0.31 1.79 0.11 0.13 -4.96 120.40 114.81 1msp s VAL 68 Ca 0.01 -1.00 -0.02 0.00 -2.93 0.00 0.00 61.98 58.04 1msp s VAL 68 Cb 0.01 -0.61 0.05 0.00 -1.53 0.00 0.00 36.38 34.30 1msp s VAL 68 CO -0.05 -0.32 0.02 -0.22 -3.33 0.00 0.00 175.10 171.20 1msp s LEU 69 N -1.43 4.03 0.18 2.54 2.96 -1.26 0.36 118.68 126.06 1msp s LEU 69 Ca -0.08 -1.34 0.07 0.00 -0.22 0.00 0.00 54.13 52.57 1msp s LEU 69 Cb -0.09 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 1msp s LEU 69 CO 0.00 -0.29 0.00 -0.32 -1.32 0.00 0.00 176.35 174.43 1msp s MET 70 N 1.25 2.40 -0.27 1.98 -2.45 0.03 -4.77 119.30 117.47 1msp s MET 70 Ca -0.04 -1.13 -0.08 0.00 -1.25 0.00 0.00 55.69 53.20 1msp s MET 70 Cb -0.20 -2.35 -0.02 0.00 1.25 0.00 0.00 34.83 33.52 1msp s MET 70 CO -0.01 0.45 0.10 0.00 1.05 0.00 0.00 175.02 176.60 1msp s ALA 71 N -1.77 3.18 -0.19 4.11 0.00 0.29 -0.12 121.76 127.26 1msp s ALA 71 Ca 0.28 -1.25 -0.09 0.00 0.00 0.00 0.00 51.96 50.90 1msp s ALA 71 Cb -0.09 -2.18 -0.05 0.00 0.00 0.00 0.00 23.12 20.80 1msp s ALA 71 CO 0.19 -0.67 0.10 0.08 0.00 0.00 0.00 175.76 175.45 1msp s VAL 72 N 1.60 5.11 0.39 0.00 1.01 -1.19 -1.64 120.40 125.67 1msp s VAL 72 Ca 0.05 0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.19 1msp s VAL 72 Cb -0.16 -3.31 -0.07 0.00 0.00 0.00 0.00 36.38 32.84 1msp s VAL 72 CO 0.04 0.46 0.01 -0.44 0.00 0.00 0.00 175.10 175.17 1msp s SER 73 N 0.30 3.97 -0.02 3.32 0.01 -0.54 -0.88 113.70 119.86 1msp s SER 73 Ca 0.06 -1.24 -0.01 0.00 1.31 0.00 0.00 55.95 56.07 1msp s SER 73 Cb -0.12 -0.42 0.01 0.00 0.21 0.00 0.00 66.02 65.71 1msp s SER 73 CO -0.01 -0.38 0.05 0.00 0.41 0.00 0.00 173.24 173.31 1msp s ASP 75 N 0.28 5.99 0.90 0.00 -1.08 -1.02 -2.80 116.67 118.94 1msp s ASP 75 Ca -0.02 0.11 -0.10 0.00 -0.52 0.00 0.00 52.55 52.02 1msp s ASP 75 Cb -0.03 -1.52 0.14 0.00 -1.46 0.00 0.00 42.92 40.05 1msp s ASP 75 CO -0.01 -0.48 1.15 0.42 0.52 0.00 0.00 175.17 176.77 1msp s THR 76 N -2.32 2.06 0.03 1.71 -4.23 -1.26 -4.91 115.64 106.72 1msp s THR 76 Ca 0.44 0.02 -0.22 0.00 -1.18 0.00 0.00 61.69 60.75 1msp s THR 76 Cb -0.10 -2.08 0.07 0.00 1.34 0.00 0.00 72.50 71.74 1msp s THR 76 CO 0.34 -0.03 1.03 2.22 -0.54 0.00 0.00 174.62 177.64 1msp n PHE 77 N -4.15 -0.60 -3.82 3.99 -1.74 -1.02 -5.04 117.46 105.08 1msp n PHE 77 Ca 0.12 -0.74 -0.30 0.00 -0.56 0.00 0.00 57.45 55.97 1msp n PHE 77 Cb 0.52 0.35 -0.14 0.00 1.52 0.00 0.00 39.48 41.72 1msp n PHE 77 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 1msp s ASN 78 N -3.31 4.09 0.39 5.98 6.03 -1.26 -4.75 114.94 122.11 1msp s ASN 78 Ca 0.24 -2.30 0.15 0.00 -1.03 0.00 0.00 52.86 49.91 1msp s ASN 78 Cb -0.01 -1.20 0.99 0.00 -3.03 0.00 0.00 41.25 38.00 1msp s ASN 78 CO 0.01 -0.33 1.84 0.00 -2.03 0.00 0.00 177.10 176.59 1msp h ALA 79 N 7.27 2.07 0.00 3.54 0.00 -1.94 -2.48 119.26 127.72 1msp h ALA 79 Ca -0.06 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1msp h ALA 79 Cb 0.97 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1msp h ALA 79 CO 0.52 -0.37 0.15 0.00 0.00 0.00 0.00 179.25 179.55 1msp h ALA 80 N 1.61 1.11 0.00 0.00 0.00 -2.04 -2.99 119.26 116.96 1msp h ALA 80 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1msp h ALA 80 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1msp h ALA 80 CO -0.22 -0.11 0.00 0.25 0.00 0.00 0.00 179.25 179.17 1msp n THR 81 N -2.30 0.00 -3.93 0.00 -2.24 -0.94 -5.10 114.28 99.77 1msp n THR 81 Ca -0.01 -0.16 -0.24 0.00 -2.27 0.00 0.00 64.05 61.37 1msp n THR 81 Cb 0.19 1.67 -0.00 0.00 -2.10 0.00 0.00 70.33 70.08 1msp n THR 81 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1msp n GLU 82 N -0.01 0.76 -3.43 -0.78 1.02 -1.13 -5.09 120.64 111.99 1msp n GLU 82 Ca 0.00 -3.16 -0.38 0.00 -0.02 0.00 0.00 57.16 53.61 1msp n GLU 82 Cb 0.17 0.39 -0.07 0.00 -0.02 0.00 0.00 31.44 31.90 1msp n GLU 82 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1msp s ASP 83 N -3.91 6.46 0.00 1.62 2.15 -1.26 -4.91 116.67 116.82 1msp s ASP 83 Ca 0.26 0.54 0.00 0.00 0.43 0.00 0.00 52.55 53.77 1msp s ASP 83 Cb -0.02 -2.22 0.00 0.00 -0.30 0.00 0.00 42.92 40.38 1msp s ASP 83 CO 0.16 -0.01 0.16 0.18 -0.17 0.00 0.00 175.17 175.49 1msp n LEU 84 N 4.11 0.32 -0.38 -1.34 4.77 -1.26 -4.67 117.00 118.55 1msp n LEU 84 Ca -0.09 -0.53 0.14 0.00 -0.03 0.00 0.00 56.01 55.49 1msp n LEU 84 Cb 0.51 0.00 0.50 0.00 -2.33 0.00 0.00 43.42 42.10 1msp n LEU 84 CO 0.40 0.08 0.82 -0.46 -1.33 0.00 0.00 177.39 176.90 1msp n ASN 85 N -0.42 1.28 -0.07 -1.43 6.94 -1.26 -4.51 115.26 115.79 1msp n ASN 85 Ca 0.00 -1.28 0.01 0.00 -0.02 0.00 0.00 54.58 53.29 1msp n ASN 85 Cb 0.03 0.03 0.01 0.00 -2.36 0.00 0.00 39.78 37.50 1msp n ASN 85 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1msp n ASN 86 N -0.14 1.79 -4.91 0.53 3.02 -1.26 -5.06 115.26 109.23 1msp n ASN 86 Ca 0.17 -1.70 -0.27 0.00 -0.03 0.00 0.00 54.58 52.75 1msp n ASN 86 Cb 0.34 -0.02 0.02 0.00 -0.61 0.00 0.00 39.78 39.51 1msp n ASN 86 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1msp s ASP 87 N -0.72 5.88 0.05 6.41 1.11 -1.26 -4.99 116.67 123.16 1msp s ASP 87 Ca 0.02 0.84 -0.27 0.00 0.18 0.00 0.00 52.55 53.33 1msp s ASP 87 Cb 0.01 -1.96 0.09 0.00 1.07 0.00 0.00 42.92 42.13 1msp s ASP 87 CO 0.02 -0.87 0.85 -0.13 1.18 0.00 0.00 175.17 176.21 1msp s ARG 88 N -4.91 0.97 -0.13 8.23 0.52 -1.26 -2.66 118.95 119.71 1msp s ARG 88 Ca 0.52 -0.39 0.01 0.00 -0.52 0.00 0.00 55.73 55.34 1msp s ARG 88 Cb -0.10 0.42 0.02 0.00 0.52 0.00 0.00 34.95 35.81 1msp s ARG 88 CO 0.46 -0.43 -0.13 0.42 0.02 0.00 0.00 175.30 175.64 1msp s ILE 89 N -3.26 1.39 -0.11 1.52 1.01 -0.50 -1.97 121.20 119.28 1msp s ILE 89 Ca 0.06 -0.53 -0.02 0.00 0.00 0.00 0.00 60.65 60.15 1msp s ILE 89 Cb -0.01 -1.31 -0.03 0.00 0.01 0.00 0.00 42.46 41.12 1msp s ILE 89 CO -0.08 0.43 -0.04 -0.89 0.00 0.00 0.00 174.94 174.35 1msp s THR 90 N 1.38 3.88 -0.26 2.92 2.01 0.05 0.01 115.64 125.63 1msp s THR 90 Ca 0.01 -0.39 -0.05 0.00 0.31 0.00 0.00 61.69 61.57 1msp s THR 90 Cb -0.13 -2.64 0.00 0.00 0.01 0.00 0.00 72.50 69.74 1msp s THR 90 CO -0.07 0.55 0.02 -0.63 -0.69 0.00 0.00 174.62 173.80 1msp s ILE 91 N -0.29 3.64 -0.07 1.82 1.01 0.29 -1.15 121.20 126.45 1msp s ILE 91 Ca 0.05 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 60.06 1msp s ILE 91 Cb -0.13 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.52 1msp s ILE 91 CO 0.02 0.22 -0.07 -0.70 0.00 0.00 0.00 174.94 174.41 1msp s GLU 92 N 1.47 2.82 0.20 2.79 2.12 -0.27 -1.16 118.70 126.67 1msp s GLU 92 Ca 0.03 -0.56 -0.06 0.00 0.36 0.00 0.00 54.97 54.75 1msp s GLU 92 Cb -0.16 -2.60 -0.02 0.00 0.26 0.00 0.00 34.13 31.60 1msp s GLU 92 CO -0.00 0.62 0.24 1.67 -0.54 0.00 0.00 175.26 177.25 1msp s TRP 93 N -0.68 0.75 0.16 5.30 -2.14 0.12 -1.72 118.94 120.73 1msp s TRP 93 Ca 0.10 -1.06 -0.24 0.00 2.66 0.00 0.00 56.10 57.57 1msp s TRP 93 Cb -0.11 -0.25 0.06 0.00 -3.10 0.00 0.00 33.47 30.07 1msp s TRP 93 CO 0.02 -0.73 0.73 -0.08 -2.66 0.00 0.00 176.95 174.22 1msp s THR 94 N -4.07 0.00 0.25 0.66 -1.32 -1.03 0.02 115.64 110.15 1msp s THR 94 Ca 0.28 -0.36 -0.30 0.00 -1.21 0.00 0.00 61.69 60.11 1msp s THR 94 Cb 0.04 -1.40 -0.09 0.00 -1.51 0.00 0.00 72.50 69.55 1msp s THR 94 CO 0.07 0.00 1.06 0.20 -2.21 0.00 0.00 174.62 173.75 1msp s ASN 95 N -2.77 7.35 0.60 8.08 0.01 -1.26 -1.80 114.94 125.15 1msp s ASN 95 Ca 0.06 2.16 -0.13 0.00 -0.71 0.00 0.00 52.86 54.24 1msp s ASN 95 Cb -0.02 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 38.98 1msp s ASN 95 CO -0.05 -0.09 1.03 0.42 -1.51 0.00 0.00 177.10 176.89 1msp s THR 96 N -0.97 4.48 0.36 1.60 -4.23 -0.85 -4.81 115.64 111.22 1msp s THR 96 Ca 0.45 0.93 -0.26 0.00 -1.18 0.00 0.00 61.69 61.63 1msp s THR 96 Cb -0.30 -3.71 -0.09 0.00 1.34 0.00 0.00 72.50 69.73 1msp s THR 96 CO 0.38 -0.93 1.06 -2.84 -0.54 0.00 0.00 174.62 171.75 1msp s PRO 97 N -4.79 4.31 0.14 3.99 0.02 -1.26 -4.90 135.00 132.51 1msp s PRO 97 Ca 0.57 1.60 -0.35 0.00 0.02 0.00 0.00 61.00 62.85 1msp s PRO 97 Cb -0.12 -2.74 -0.15 0.00 0.02 0.00 0.00 34.50 31.51 1msp s PRO 97 CO 0.47 -0.03 1.36 -0.25 -0.33 0.00 0.00 177.00 178.22 1msp n ASP 98 N 0.32 2.03 -0.00 2.53 8.00 -1.26 -1.50 116.55 126.66 1msp n ASP 98 Ca 0.03 1.12 -0.00 0.00 0.71 0.00 0.00 54.79 56.65 1msp n ASP 98 Cb 0.48 -1.28 -0.00 0.00 -0.02 0.00 0.00 41.12 40.30 1msp n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1msp n GLY 99 N 2.56 0.48 3.86 0.44 0.00 -1.26 -5.05 105.19 106.23 1msp n GLY 99 Ca 0.16 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1msp n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1msp s ALA 100 N -1.98 3.18 0.23 4.61 0.00 -0.56 -5.09 121.76 122.16 1msp s ALA 100 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 51.95 1msp s ALA 100 Cb 0.00 -2.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.14 1msp s ALA 100 CO 0.00 -0.24 0.40 0.00 0.00 0.00 0.00 175.76 175.92 1msp s ALA 101 N -2.63 3.85 -1.05 0.00 0.00 -1.26 -4.99 121.76 115.67 1msp s ALA 101 Ca 0.55 -0.98 -0.18 0.00 0.00 0.00 0.00 51.96 51.36 1msp s ALA 101 Cb -0.10 -1.92 -0.08 0.00 0.00 0.00 0.00 23.12 21.02 1msp s ALA 101 CO 0.35 0.31 2.08 1.17 0.00 0.00 0.00 175.76 179.67 1msp n LYS 102 N -1.07 2.10 -3.69 0.00 4.81 -1.26 -4.68 118.16 114.37 1msp n LYS 102 Ca -0.06 -2.10 -0.12 0.00 -0.87 0.00 0.00 58.31 55.16 1msp n LYS 102 Cb 0.55 -3.01 -0.09 0.00 0.02 0.00 0.00 35.03 32.49 1msp n LYS 102 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1msp s GLN 103 N 4.16 0.56 0.11 1.64 0.74 -1.26 -4.96 119.66 120.64 1msp s GLN 103 Ca 0.53 0.77 -0.25 0.00 0.05 0.00 0.00 55.36 56.46 1msp s GLN 103 Cb 0.14 0.20 -0.07 0.00 1.10 0.00 0.00 33.01 34.39 1msp s GLN 103 CO 0.03 -0.10 0.76 0.12 -0.55 0.00 0.00 175.29 175.56 1msp s PHE 104 N 0.65 3.83 -0.18 1.67 5.36 -1.26 -4.92 117.98 123.13 1msp s PHE 104 Ca -0.03 1.55 0.00 0.00 -0.96 0.00 0.00 56.93 57.49 1msp s PHE 104 Cb -0.05 -2.78 0.04 0.00 -0.34 0.00 0.00 43.02 39.89 1msp s PHE 104 CO -0.04 0.41 -0.08 1.03 -1.46 0.00 0.00 175.22 175.07 1msp s ARG 105 N -0.65 1.80 0.43 10.12 0.52 -1.26 -5.03 118.95 124.88 1msp s ARG 105 Ca 0.37 -0.69 0.19 0.00 -0.52 0.00 0.00 55.73 55.09 1msp s ARG 105 Cb -0.22 -2.22 1.14 0.00 0.52 0.00 0.00 34.95 34.17 1msp s ARG 105 CO 0.25 -0.42 1.86 0.07 0.02 0.00 0.00 175.30 177.08 1msp h ARG 106 N 8.04 0.34 -0.65 3.54 -0.00 -2.01 -2.16 114.38 121.47 1msp h ARG 106 Ca -0.27 -0.02 0.19 0.00 -0.00 0.00 0.00 59.98 59.88 1msp h ARG 106 Cb 1.11 -0.08 -0.03 0.00 -0.00 0.00 0.00 29.97 30.97 1msp h ARG 106 CO 0.45 0.23 0.52 0.93 -0.00 0.00 0.00 179.97 182.09 1msp h GLU 107 N 0.35 0.00 -0.08 0.08 3.07 -2.00 -0.38 114.58 115.61 1msp h GLU 107 Ca 0.47 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 59.35 1msp h GLU 107 Cb 1.25 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.16 1msp h GLU 107 CO -0.16 0.00 0.28 -1.49 -1.40 0.00 0.00 179.01 176.24 1msp h TRP 108 N 0.00 0.00 0.00 4.33 6.55 -1.82 0.13 115.95 125.14 1msp h TRP 108 Ca 0.31 0.00 -0.08 0.00 0.95 0.00 0.00 58.89 60.07 1msp h TRP 108 Cb 1.34 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.62 1msp h TRP 108 CO 0.00 0.00 -1.38 1.19 -1.05 0.00 0.00 178.44 177.20 1msp n PHE 109 N -3.16 0.78 0.04 0.49 3.72 -0.15 -4.32 117.46 114.86 1msp n PHE 109 Ca -0.00 0.24 -0.08 0.00 -0.05 0.00 0.00 57.45 57.56 1msp n PHE 109 Cb 0.36 -0.94 -0.13 0.00 -0.94 0.00 0.00 39.48 37.83 1msp n PHE 109 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1msp h GLN 110 N 0.00 0.02 0.00 -1.08 4.20 -1.06 -3.48 115.11 113.71 1msp h GLN 110 Ca -0.09 -0.04 -0.24 0.00 0.06 0.00 0.00 58.65 58.35 1msp h GLN 110 Cb 1.28 0.01 0.13 0.00 0.30 0.00 0.00 27.48 29.20 1msp h GLN 110 CO 0.02 0.88 -0.03 0.41 -0.67 0.00 0.00 178.83 179.44 1msp n GLY 111 N 1.42 -3.34 3.64 3.46 0.00 -1.02 -4.91 105.19 104.44 1msp n GLY 111 Ca -0.05 -1.36 -0.43 0.00 0.00 0.00 0.00 46.02 44.18 1msp n GLY 111 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1msp s ASP 112 N -2.99 6.96 0.00 1.61 1.11 -1.26 -4.85 116.67 117.26 1msp s ASP 112 Ca 0.43 1.16 0.00 0.00 0.18 0.00 0.00 52.55 54.32 1msp s ASP 112 Cb -0.06 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.39 1msp s ASP 112 CO 0.35 -0.83 0.00 0.61 1.18 0.00 0.00 175.17 176.48 1msp n GLY 113 N 3.74 -0.64 2.93 0.21 0.00 -1.26 -5.14 105.19 105.03 1msp n GLY 113 Ca 0.12 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 1msp n GLY 113 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1msp s MET 114 N -1.05 1.23 -0.13 1.61 -1.94 -1.26 -5.14 119.30 112.62 1msp s MET 114 Ca 0.00 -0.21 -0.04 0.00 -1.71 0.00 0.00 55.69 53.73 1msp s MET 114 Cb 0.00 -1.18 -0.03 0.00 2.01 0.00 0.00 34.83 35.62 1msp s MET 114 CO 0.00 -0.10 0.02 0.08 -0.01 0.00 0.00 175.02 175.01 1msp s VAL 115 N 1.09 4.48 -0.04 -6.03 1.01 -1.26 -4.68 120.40 114.96 1msp s VAL 115 Ca -0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 1msp s VAL 115 Cb -0.14 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1msp s VAL 115 CO -0.01 0.54 0.10 -0.60 0.00 0.00 0.00 175.10 175.13 1msp s ARG 116 N -0.31 3.19 -0.02 2.72 3.52 0.10 -4.93 118.95 123.23 1msp s ARG 116 Ca 0.07 -0.37 0.05 0.00 -0.13 0.00 0.00 55.73 55.35 1msp s ARG 116 Cb -0.12 -2.96 -0.01 0.00 -1.56 0.00 0.00 34.95 30.30 1msp s ARG 116 CO 0.02 0.69 -0.16 -0.98 -0.81 0.00 0.00 175.30 174.06 1msp s ARG 117 N -1.47 1.42 -0.08 5.12 3.03 -1.26 0.12 118.95 125.82 1msp s ARG 117 Ca 0.20 -0.58 -0.00 0.00 2.03 0.00 0.00 55.73 57.38 1msp s ARG 117 Cb -0.12 -1.33 0.02 0.00 -1.03 0.00 0.00 34.95 32.49 1msp s ARG 117 CO 0.11 0.31 -0.05 0.21 -1.13 0.00 0.00 175.30 174.75 1msp s LYS 118 N -0.25 1.08 0.04 3.89 2.20 -0.31 -4.98 119.74 121.41 1msp s LYS 118 Ca 0.03 -0.11 -0.00 0.00 -0.36 0.00 0.00 55.97 55.54 1msp s LYS 118 Cb -0.08 -1.22 -0.04 0.00 -1.51 0.00 0.00 37.83 34.98 1msp s LYS 118 CO 0.00 -0.23 0.17 -0.80 -0.36 0.00 0.00 175.35 174.14 1msp s ASN 119 N 1.59 6.18 -0.31 1.43 0.01 -1.26 -0.55 114.94 122.04 1msp s ASN 119 Ca 0.01 0.24 0.01 0.00 -0.71 0.00 0.00 52.86 52.40 1msp s ASN 119 Cb -0.13 -1.87 0.09 0.00 0.41 0.00 0.00 41.25 39.75 1msp s ASN 119 CO -0.05 0.20 0.07 -0.76 -1.51 0.00 0.00 177.10 175.05 1msp s LEU 120 N -2.30 2.91 0.82 0.60 1.43 0.10 -4.92 118.68 117.32 1msp s LEU 120 Ca 0.31 -1.69 -0.12 0.00 -1.03 0.00 0.00 54.13 51.60 1msp s LEU 120 Cb -0.13 -1.09 0.09 0.00 0.03 0.00 0.00 46.19 45.09 1msp s LEU 120 CO 0.24 -0.38 1.14 -2.84 0.23 0.00 0.00 176.35 174.74 1msp s PRO 121 N 1.41 1.72 -0.24 1.29 0.02 -1.26 -1.41 135.00 136.53 1msp s PRO 121 Ca 0.08 1.49 -0.09 0.00 0.02 0.00 0.00 61.00 62.49 1msp s PRO 121 Cb -0.18 -1.81 -0.04 0.00 0.02 0.00 0.00 34.50 32.49 1msp s PRO 121 CO -0.18 -2.10 0.13 0.42 -0.33 0.00 0.00 177.00 174.94 1msp s ILE 122 N -2.55 5.02 -0.17 2.83 -1.09 -1.09 -0.78 121.20 123.38 1msp s ILE 122 Ca 0.67 0.06 -0.02 0.00 -2.23 0.00 0.00 60.65 59.13 1msp s ILE 122 Cb -0.23 -3.34 -0.01 0.00 -1.58 0.00 0.00 42.46 37.30 1msp s ILE 122 CO 0.53 0.34 -0.08 -0.70 -1.23 0.00 0.00 174.94 173.80 1msp s GLU 123 N 1.20 3.43 -0.28 2.79 2.12 0.18 -4.58 118.70 123.56 1msp s GLU 123 Ca 0.06 -0.64 -0.14 0.00 0.36 0.00 0.00 54.97 54.61 1msp s GLU 123 Cb -0.14 -2.81 -0.04 0.00 0.26 0.00 0.00 34.13 31.40 1msp s GLU 123 CO 0.05 0.07 0.35 0.71 -0.54 0.00 0.00 175.26 175.90 1msp s TYR 124 N 0.75 3.24 -0.38 5.30 2.02 -1.26 -0.66 117.35 126.36 1msp s TYR 124 Ca -0.04 0.31 -0.13 0.00 -0.37 0.00 0.00 57.07 56.84 1msp s TYR 124 Cb -0.15 -2.56 0.01 0.00 -0.40 0.00 0.00 41.96 38.86 1msp s TYR 124 CO 0.02 -0.25 0.25 1.21 -1.57 0.00 0.00 175.55 175.21 1msp s ASN 125 N 1.67 5.96 0.00 2.29 2.47 0.29 -4.95 114.94 122.67 1msp s ASN 125 Ca 0.13 -0.81 0.30 0.00 0.42 0.00 0.00 52.86 52.90 1msp s ASN 125 Cb -0.16 -2.11 1.41 0.00 -1.45 0.00 0.00 41.25 38.94 1msp s ASN 125 CO 0.10 -0.38 1.95 0.18 -3.72 0.00 0.00 177.10 175.23